smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(NC(=O)CSc2nncc(O)n2)c1C 4248954 CZOPZJQDDYEXEF-UHFFFAOYSA-N 290.348 1.925 0 50 CDAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccnc1 6278570 RTWGQMLUBOABRY-UHFFFAOYSA-N 291.332 1.290 0 50 CDAA CCOC(=O)c1c(C)nsc1NC(=O)[C@H]1CCCO1 6730874 XNTMNUVCCGDGOW-MRVPVSSYSA-N 284.337 1.746 0 50 CDAA CCONC(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 134745254 JTRRCFDTXFYDQO-UHFFFAOYSA-N 298.167 1.388 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1c1nc(-c3ccco3)n[nH]1)[C@H]1C=C[C@H]2C1 100192685 JMUYTJZYMHCYCC-UUTMEEIUSA-N 296.286 1.376 0 50 CDAA O=C1CC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 100113229 QVGBOFYZGZBPSE-OLZOCXBDSA-N 257.289 1.541 0 50 CDAA COc1ccccc1OCCN1C[C@@H](F)C[C@H]1CO 346375221 SGYPXOJEBFWIJM-RYUDHWBXSA-N 269.316 1.479 0 50 CDAA C[C@H](NC(=O)C1(C(=O)O)CC1)[C@H]1COc2ccccc21 119012614 UPAKWFCSYSWATA-GXSJLCMTSA-N 275.304 1.532 0 50 CDAA O=C(CC1(O)CCCC1)N[C@@H]1COc2ccccc2C1=O 135363873 YGQOZZQVWTXMKP-GFCCVEGCSA-N 289.331 1.442 0 50 CDAA CN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 20472400 OZFUQIZWPPCTPS-UHFFFAOYSA-N 291.439 1.319 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2cc(C)on2)C1 348023889 GLDUVJQVZTXXDH-GJZGRUSLSA-N 279.384 1.668 0 50 CDAA Cc1cc(C)n(-c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)n1 65380297 HZBKJGKGMCTRRF-GFCCVEGCSA-N 299.330 1.927 0 50 CDAA Cc1cc2cc(NC(=O)[C@@H]3CC(=O)N(C)C3)ccc2[nH]1 123342347 LECUPBUMZMOHQS-LLVKDONJSA-N 271.320 1.893 0 50 CDAA Cc1cc(=O)[nH]c(CCNC2CCN(CC(C)C)CC2)n1 67692257 GMOPENNHBXCWGM-UHFFFAOYSA-N 292.427 1.331 0 50 CDAA COc1ccc(O)c(C(=O)NCC(C)(C)C(=O)O)c1 137467195 FRRNFWDFKHZRGV-UHFFFAOYSA-N 267.281 1.241 0 50 CDAA C[C@@H](CN1CCC2(CC1)NCCNC2=O)c1ccccc1 67868035 YUZVYRGEGCCOEY-AWEZNQCLSA-N 287.407 1.344 0 50 CDAA O=C(CCc1ccccc1O)N[C@H]1CCCS(=O)(=O)C1 330756358 DPDZQJDWNADFGN-LBPRGKRZSA-N 297.376 1.018 0 50 CDAA CCc1cnc(C)nc1NC[C@H](O)CN1CCCCCC1 65493375 NDGFUJFLZKJCPD-HNNXBMFYSA-N 292.427 1.996 0 50 CDAA C[C@H](NC(=O)NCc1ncnn1C(C)(C)C)C1CC1 337043770 DDMLGIHEQUJJQM-VIFPVBQESA-N 265.361 1.631 0 50 CDAA COc1ccc(CC(=O)O[C@@H]2CCCN(C)C2)cc1 250411 LQYCBEYRAHDIRD-CQSZACIVSA-N 263.337 1.875 0 50 CDAA biogenic CC1(C)OC(=O)N(CC(=O)Nc2ccccc2)[C@@]1(C)O 1431812 KTLCQSXGAOGWBC-AWEZNQCLSA-N 278.308 1.564 0 50 CDAA O=C(C[C@@H]1C=CCCC1)NC[C@@H]1CCCS(=O)(=O)C1 332818102 RHNHHMNTDZQUQC-OLZOCXBDSA-N 285.409 1.674 0 50 CDAA CN(C)C(=O)CN1CCC(NC(=O)C2CC(C)(C)C2)CC1 352694983 BLBRYGYATNXDCP-UHFFFAOYSA-N 295.427 1.091 0 50 CDAA COCCN(Cc1ccncc1)C(=O)[C@H]1CCOC1 216476314 MIPYLNVLMNWWID-ZDUSSCGKSA-N 264.325 1.093 0 50 CDAA Cc1nc(CNC(=O)c2cccc3c2O[C@@H](C)C3)no1 449871455 MUDWODLAWUMIFK-QMMMGPOBSA-N 273.292 1.631 0 50 CDAA CCc1nc(C)cc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)n1 253394485 IJBZBFRKKZCWSX-MGPQQGTHSA-N 291.395 1.714 0 50 CDAA COCCN(C)C(=O)Nc1ccnc(Br)c1 253424720 KETKKWOWJUYWQF-UHFFFAOYSA-N 288.145 1.954 0 50 CDAA C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@H](C(C)(C)C)C2=O)C1 253426134 PHVOYGCHBWZVKU-CMPLNLGQSA-N 295.383 1.211 0 50 CDAA COC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 356849164 OFFOAFPWPVMRLA-QCNOEVLYSA-N 281.352 1.212 0 50 CDAA Cc1nc[nH]c1CNC(=O)c1cccc(Cn2ccnc2)c1 339224177 HOLHAZLTOIVTRB-UHFFFAOYSA-N 295.346 1.893 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](C(=O)O)CC[C@H]1C 263118322 FAHWKAWMIDRGMP-XQHKEYJVSA-N 299.367 1.282 0 50 CDAA CC(C)(CO)NC(=O)c1cccc(Br)c1 32119692 DLORAXUPPVMXLU-UHFFFAOYSA-N 272.142 1.950 0 50 CDAA CO[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC[C@H]1N 71745480 KCKLLJKUORWCMI-CJNGLKHVSA-N 299.374 1.870 0 50 CDAA CC(=O)NCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 245502118 BPCPKEXTINYPDC-JOCQHMNTSA-N 254.374 1.701 0 50 CDAA CN1CCOc2ccc(NC(=O)[C@H]3CC[C@@H](N)C3)cc21 246176265 BOVITEVHHRWNJX-WDEREUQCSA-N 275.352 1.581 0 50 CDAA COCc1nc(NC[C@@H]2CCCO2)cc(C2CC(N)C2)n1 219248473 WXDBXZLSDHYTLV-MCIGGMRASA-N 292.383 1.419 0 50 CDAA O[C@@H]1CCCN(c2ccnc(-c3ccncc3F)n2)C1 216130632 HWKMCOUOGOYWLO-SNVBAGLBSA-N 274.299 1.639 0 50 CDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2C[C@H]1O 44171802 SGFFREHBBCJPJB-XGFWRYKXSA-N 266.293 1.223 0 50 CDAA O=C(CN1CCOCC1)N1CCC[C@@H]1c1nccs1 222371478 DWHPDZGOTUIFMR-LLVKDONJSA-N 281.381 1.139 0 50 CDAA C[C@H]1COc2ccccc2CN1CCN1CCNC1=O 289953560 PIKZBVYCWXAJCU-LBPRGKRZSA-N 275.352 1.295 0 50 CDAA C[C@H](c1ccc(-c2n[nH]c(O)n2)cc1)N1CCOCC1 426522847 GHMZEVMOAAUWDS-SNVBAGLBSA-N 274.324 1.571 0 50 CDAA Cc1ccc(OCC(=O)N(C)[C@H]2CCNC2)cc1C 179065609 JOHZPOGLQUTMHP-ZDUSSCGKSA-N 262.353 1.503 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N(C)[C@@H]1CCNC1 179104707 ULMDCYKODSXBOJ-SECBINFHSA-N 284.791 1.631 0 50 CDAA COc1c([C@@H]2CCCN2[C@@H]2C[C@@H](C)OC2=O)c(C)nn1C 229510532 UKFWRTZHHSXRBE-ADEWGFFLSA-N 293.367 1.578 0 50 CDAA OCC1CCN(c2cc([C@H]3CCOC3)ncn2)CC1 426478211 YBUPBSNHTBCDJM-LBPRGKRZSA-N 263.341 1.189 0 50 CDAA C[C@@H](CO)NC(=O)Nc1ccc(CCC(=O)N(C)C)cc1 97076612 ZWJYZPDJNKHJEV-NSHDSACASA-N 293.367 1.210 0 50 CDAA CCCn1cc(C(=O)NC[C@@]2(O)CCCC2(C)C)cn1 294406580 NNACQPCQIGKFFQ-HNNXBMFYSA-N 279.384 1.964 0 50 CDAA CCC[C@H]1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C[C@@H]1N 91846975 ZCTNLRGFZCHLRU-YUMQZZPRSA-N 290.289 1.628 0 50 CDAA COc1nccc(CN2CCN(CC(F)(F)F)CC2)n1 294600811 UJLZEEHKBNUMSS-UHFFFAOYSA-N 290.289 1.165 0 50 CDAA C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@]1(C)O 91818979 PGZHOBIELDVHDA-WBMJQRKESA-N 276.380 1.591 0 50 CDAA Cn1nc(Br)c(Br)c1N 95217979 LKDGNRDETJOJGF-UHFFFAOYSA-N 254.913 1.527 0 50 CDAA in-vitro Cc1nnc2n1[C@H](C)CN(C(=O)Cc1cncs1)C2 96151591 OPKIVEJWQBBSFD-MRVPVSSYSA-N 277.353 1.189 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc3c2CCC3)C1 336383380 STUGCWSBGVHSOV-QWHCGFSZSA-N 275.348 1.397 0 50 CDAA COc1ccc2c(c1)OC[C@H](Cc1cc(N)ncn1)C2 91350957 YNQLRAJPTGKEAV-JTQLQIEISA-N 271.320 1.861 0 50 CDAA COc1cc(C)sc1C(=O)N1C[C@@H]2CNC[C@@H]2C1 97137206 XYBBJFSGEBUJNC-AOOOYVTPSA-N 266.366 1.357 0 50 CDAA CCN1CCC(CC(=O)NCc2noc(C)n2)CC1 95361866 JPBOPPQIOZLJBF-UHFFFAOYSA-N 266.345 1.116 0 50 CDAA CCC[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1C(=O)O 91818173 GMAPEPUMXMVDDR-TZMCWYRMSA-N 290.363 1.974 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCN(c2ccncc2)CC1 97742803 LMAXBNWKHBRICK-UHFFFAOYSA-N 299.378 1.476 0 50 CDAA COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)cc1 239173924 OXPKZJGYHZGSIU-YGEXGZRRSA-N 287.315 1.831 0 50 CDAA Cc1nnc(N[C@@H]2CCCN(c3cnccn3)C2)o1 95389229 OBSWGSXSSTXDQC-SNVBAGLBSA-N 260.301 1.249 0 50 CDAA COc1nccc(NC(=O)N2CCC[C@@H](CO)CC2)n1 297045204 XNHQAXUHHGMOSX-SNVBAGLBSA-N 280.328 1.112 0 50 CDAA CN(CC(=O)N1CCSCC1)Cc1ccncc1 244872978 WHVGXEGVPVVCKS-UHFFFAOYSA-N 265.382 1.089 0 50 CDAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@H]([C@H]1C(=O)OC)[C@@H]1[C@@H]2[C@]3(C)[C@@]41C 253595380 CPWDDTDQGFHJFB-SVWOLWLZSA-N 276.332 1.343 0 50 CDAA CC(C)[C@@H](NC(=O)c1n[nH]c(O)n1)c1cccnc1 534577171 GEVSRLUALINSHA-SECBINFHSA-N 261.285 1.032 0 50 CDAA CC(C)[C@@H](CNC(=O)CCc1nc(Cl)n[nH]1)N(C)C 534673088 IMZLSPCQNKJNBG-SECBINFHSA-N 287.795 1.093 0 50 CDAA CC(C)N1CC[C@@H](CN(C)CCn2cccn2)C1 299766553 PAGGXAJGAPIEGD-AWEZNQCLSA-N 250.390 1.545 0 50 CDAA CN(C)CC1(O)CCN(C2CSCCSC2)CC1 823684733 ZWYWCMFKMZHPEA-UHFFFAOYSA-N 290.498 1.224 0 50 CDAA COc1cccc(C)c1C(=O)NCCCn1ccnn1 824795720 VNHKDPAQQDWKHC-UHFFFAOYSA-N 274.324 1.415 0 50 CDAA CCOC(=O)N1CC[C@@H](N2Cc3nc(C)nc(O)c3C2)C1 584892241 ZUKOGLBXTMBJPY-SNVBAGLBSA-N 292.339 1.037 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)O)cc21 675050844 UDHSHSZXVRRFBW-QMMMGPOBSA-N 281.312 1.941 0 50 CDAA CNC(=O)CC[C@H]1CCCCN1CC1CCN(C)CC1 585139270 RKJXABGCXRFPER-OAHLLOKOSA-N 281.444 1.709 0 50 CDAA COCc1nc([C@@H]2CCOC2)n(-c2ccncc2)n1 670451699 CALJHNSAILPCPU-SNVBAGLBSA-N 260.297 1.313 0 50 CDAA O=C(C[C@H]1CCCOC1)N1CCC(c2nc[nH]n2)CC1 670459193 GNVRCHNGRSPTPC-LLVKDONJSA-N 278.356 1.327 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1CCc2ccc(F)cc2O1 1875273012 UCRNMQQHXJFVDE-JDGPPOGSSA-N 293.294 1.365 0 50 CDAA Cc1nn(C)cc1C[C@@H](NC(=O)c1ccccc1)C(=O)O 1875291552 DKFMXYPAGUCRFS-CYBMUJFWSA-N 287.319 1.154 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)Nc3cn[nH]c3)C[C@H]12 1875300458 CZGOFSWOHURTMK-GPCCPHFNSA-N 292.339 1.652 0 50 CDAA O=C(OC[C@@H](O)[C@H]1CCOC1)c1cncc2cnccc12 1875327384 XEBFBIYAILDUJM-IINYFYTJSA-N 288.303 1.184 0 50 CDAA CS(=O)(=O)NC(=O)C[C@H]1CCCc2ccccc21 1875390897 WIMUPNOHJOEYQV-LLVKDONJSA-N 267.350 1.572 0 50 CDAA CCc1nc(C)c(CNCCN2CCC[C@@H](CO)C2)[nH]1 952982467 XGMDJLRKNIUQSF-CYBMUJFWSA-N 280.416 1.074 0 50 CDAA Cc1nn(C)cc1NC(=O)c1cnc(C2CC2)nc1 898596426 MICGZEFHXTYYAF-UHFFFAOYSA-N 257.297 1.648 0 50 CDAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NC(=O)C=C1CCC1 886048102 RSXSSULDRIIUEY-DZGCQCFKSA-N 275.352 1.785 0 50 CDAA CN(C[C@H](O)c1cccnc1)c1ncncc1Cl 895937981 ZBXYDFONHYBPOD-NSHDSACASA-N 264.716 1.695 0 50 CDAA N[C@@H]1CN(C(=O)c2ocnc2C(F)(F)F)CC12CCC2 1775962379 ISNMHGOWBWEHDJ-SSDOTTSWSA-N 289.257 1.647 0 50 CDAA C=CC(=O)N(C)C1CCN(CCc2ccccn2)CC1 1353214089 IRAWQZLSJGAZOX-UHFFFAOYSA-N 273.380 1.733 0 50 CDAA COc1ccc(C[C@@H](C)NN2CCN(C)CC2)cc1 19171942 MHQXKYGOHCUFRX-CYBMUJFWSA-N 263.385 1.378 0 50 CDAA COc1ccn2ccnc2c1I 77011275 UAGXMASIVSLVMI-UHFFFAOYSA-N 274.061 1.948 0 50 CDAA in-vitro Cc1noc([C@H]2CCN(Cc3nc(C)c(C)o3)C2)n1 408047553 RCTNNAGVWTYJRK-NSHDSACASA-N 262.313 1.972 0 50 CDAA Cc1nc(C)c(C(=O)NC(C)(C)[C@H](C)O)nc1C 408265996 WOOBJZMAIONKFJ-JTQLQIEISA-N 251.330 1.291 0 50 CDAA C[C@H]1CN(C[C@@H](C)O)CCN1Cc1cccs1 170619350 JZGBVOSLDZUXOF-NWDGAFQWSA-N 254.399 1.635 0 50 CDAA COc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)cc1C 170608191 LPJULNMWSKXJLH-ZIAGYGMSSA-N 292.379 1.964 0 50 CDAA Cn1ncc2c(N[C@H]3CCN4CCCC[C@@H]34)ncnc21 222684076 DDCRRRMDLNVGAZ-RYUDHWBXSA-N 272.356 1.402 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1nc2ncccn2n1 412671461 KHPAKCPHFHONLG-SRVKXCTJSA-N 285.351 1.567 0 50 CDAA COCCOCCC(=O)NCCCCC1(C)OCCO1 225494703 DISZHLBUZODECU-UHFFFAOYSA-N 289.372 1.089 0 50 CDAA NC(=O)CNC(=O)Nc1cccc(NCc2ccco2)c1 225492516 YTYOLLAOFISOFX-UHFFFAOYSA-N 288.307 1.499 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NS(=O)(=O)c1cnccn1 225417259 DWBPQOJUMUXMQE-GARJFASQSA-N 295.364 1.108 0 50 CDAA CCc1nsc(N2CCN(c3ncc[nH]3)CC2)n1 225647905 WRMOKRHNLWRYSZ-UHFFFAOYSA-N 264.358 1.150 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2Cc2nnc(C)o2)c1 225728950 ZLKSIBREVOINSV-GXTWGEPZSA-N 289.335 1.695 0 50 CDAA C[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CCN1 188420218 WCAPMDMPAPFNIK-LLVKDONJSA-N 250.317 1.579 0 50 CDAA O=C(c1cccnn1)N1CCNC[C@H]1c1ccccc1 638344650 UVYVQZFBZXXGOA-AWEZNQCLSA-N 268.320 1.263 0 50 CDAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc[nH]n2)C1 190160548 CLPIONCTIDDSEY-GHMZBOCLSA-N 263.301 1.063 0 50 CDAA Cc1nscc1C(=O)N(CCC(=O)O)C1CCOCC1 190827812 RUVHGLVDFSOIKB-UHFFFAOYSA-N 298.364 1.547 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 668271947 SQHFDWPCXPPQKE-YNEHKIRRSA-N 299.367 1.284 0 50 CDAA CN1C[C@H](NC(=O)c2ccn(C)n2)Cc2ccccc21 585129056 WSTQSBSWKQXADV-GFCCVEGCSA-N 270.336 1.211 0 50 CDAA C[C@](NC(=O)c1cnc2ccccn12)(C(=O)O)C1CC1 585139496 DDZDPSIBQONJIJ-CQSZACIVSA-N 273.292 1.317 0 50 CDAA CCO[C@@H](C)C(=O)N(CCc1nn[nH]n1)CC(CC)CC 736616293 NHJOGACYWVHWOZ-NSHDSACASA-N 297.403 1.432 0 50 CDAA Cc1nc(O)c2c(n1)CN(C(=O)CC1=CCCC1)C2 1857686921 IASXRDDWJFOPPZ-UHFFFAOYSA-N 259.309 1.833 0 50 CDAA CC(C)c1nccn1[C@H](C)C(=O)Nc1nccn1C 1529107205 XICLCQUCRQXGIJ-SNVBAGLBSA-N 261.329 1.940 0 50 CDAA CC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1529151200 HVMWLUIETPHIJS-CZUORRHYSA-N 270.332 1.928 0 50 CDAA Cc1ccn2c(NC(=O)c3ccc(N(C)C)nc3)nnc2n1 1529099594 CDLHLMOLMNIAJQ-UHFFFAOYSA-N 297.322 1.146 0 50 CDAA CCC[C@H]1C[C@H]1C(=O)N(CCO)Cc1ncc[nH]1 1704335770 RIDVBHLEEJTQIP-WDEREUQCSA-N 251.330 1.167 0 50 CDAA C[C@@H](CC(=O)O)CC(=O)N1CCOC[C@H]1CC(F)F 1604106057 XEAVFVJYHKQSDO-RKDXNWHRSA-N 279.283 1.370 0 50 CDAA Cc1nc(C)c(F)c(N2CCC[C@@H](C3=NCCN3C)C2)n1 1615548647 HHUPRJVMUQNAOX-GFCCVEGCSA-N 291.374 1.793 0 50 CDAA C[C@H](C(=O)O)[C@@H](C)NC(=O)C(=O)c1ccc(F)cc1 1614994325 GUFTZVWFEDTFDC-JGVFFNPUSA-N 267.256 1.234 0 50 CDAA O=C(CNc1cccc(CO)c1)N1CCCCCC1 263834911 DYCZSVVOBFGPEV-UHFFFAOYSA-N 262.353 1.993 0 50 CDAA COc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1 11767201 QHHLYVGGHFXJDD-UHFFFAOYSA-N 291.347 1.951 0 50 CDAA COCC(=O)N1CCC[C@H](Nc2cccc(F)c2)C1 12578297 XWWAKEONUZNQNK-ZDUSSCGKSA-N 266.316 1.875 0 50 CDAA CCCn1ncc(CN2CCO[C@H](CCN(C)C)C2)c1C 12706003 VUAPWLMUBVPRTD-MRXNPFEDSA-N 294.443 1.754 0 50 CDAA CCNC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 13710925 RYZMUCHWHZNJFS-LBPRGKRZSA-N 284.381 1.367 0 50 CDAA O=C(NCCN1CCOCC1)Nc1ccccc1Cl 19891385 BRPRJDKNGVHHHJ-UHFFFAOYSA-N 283.759 1.794 0 50 CDAA COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1CSCN1 162042821 HFYGDWNPELQFPG-WCBMZHEXSA-N 284.356 1.674 0 50 CDAA CCC[C@H](N)C(=O)OB(c1ccccc1)c1ccccc1 169744537 XAVUFSLMIUPEFM-INIZCTEOSA-N 281.164 1.463 0 50 CDAA CCOC(=O)c1ccccc1B(O)OC(C)(C)C(C)(C)O 169980127 WYNHDSMWFQTZKP-UHFFFAOYSA-N 294.156 1.117 0 50 CDAA CCOC(=O)c1ccc(N(C[C@H](C)O)C[C@@H](C)O)cc1 2032871 CBZHHQOZZQEZNJ-TXEJJXNPSA-N 281.352 1.431 0 50 CDAA in-man CC(=O)C[C@@H](NC(=S)N1CCOCC1)c1ccccc1 468474 DOVNMYFAURUFCM-CQSZACIVSA-N 292.404 1.914 0 50 CDAA COc1cc(SC)ccc1C(=O)N1CCN(C)CC1 2728335 BBUIFAVGQJIIME-UHFFFAOYSA-N 280.393 1.805 0 50 CDAA CC(C)OC[C@@H](O)CS(=O)(=O)Cc1ccccc1 2870937 WGJRYDZVMDPWTM-CYBMUJFWSA-N 272.366 1.387 0 50 CDAA COCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4976903 ITFNZVLDBWHUOU-CYBMUJFWSA-N 290.363 1.419 0 50 CDAA Cn1nc2c(c1-c1ccccc1)CCN(CC(=O)O)CC2 1857708674 GJCFRJIZZKWKIQ-UHFFFAOYSA-N 285.347 1.572 0 50 CDAA Cc1nccc(-c2nccn2C[C@H]2CC(=O)N(C3CC3)C2)n1 1857709524 CPZWSOAFTJKULH-GFCCVEGCSA-N 297.362 1.659 0 50 CDAA O=C(O)Cn1cc(NC(=O)Cc2ccc3c(c2)CCC3)cn1 314633391 YRZZPJMINLAXMG-UHFFFAOYSA-N 299.330 1.638 0 50 CDAA CC1=C[C@H](C)CN(S(=O)(=O)c2cnn(C)c2)C1 334638337 WZKCSXWMRQLEGX-VIFPVBQESA-N 255.343 1.007 0 50 CDAA O=C(N=c1ccn([C@@H]2CCNC2)[nH]1)[C@@H]1C[C@@H]1c1ccccc1 328625646 KWSWOETZZGWMKV-RBSFLKMASA-N 296.374 1.582 0 50 CDAA O=C(c1cc2n(n1)CCC2)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 333339342 XRJXUIHGYPFQFP-LOWVWBTDSA-N 275.352 1.062 0 50 CDAA COCc1cccc(CC(=O)NCC[C@@H]2CCCNC2)c1 422806658 ITFVVQOSWSHZAJ-AWEZNQCLSA-N 290.407 1.881 0 50 CDAA CC(C)n1ncnc1CN1CCC[C@@H]1c1ccc(O)nn1 528785293 BWKCMMPYKTYECR-GFCCVEGCSA-N 288.355 1.692 0 50 CDAA CN(CCn1cccn1)[C@H](C(=O)O)c1ccsc1 571409396 FMBOREGWDUEURF-NSHDSACASA-N 265.338 1.702 0 50 CDAA OC[C@H]1CCN(c2nnc(-c3ccccc3)s2)C[C@H]1O 584562709 WVCFAONQRADTPO-VXGBXAGGSA-N 291.376 1.385 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3cccnc3)n2CC1 601043630 GBNSCNOCOXITFI-JTQLQIEISA-N 272.308 1.466 0 50 CDAA Cc1nnc2ccc(C(=O)Nc3ccc4nccn4c3)cn12 603884371 VJZPBLURRSTLPJ-UHFFFAOYSA-N 292.302 1.938 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)COCc1ccccc1 710003912 YKQFMMIEENNEJA-KBPBESRZSA-N 279.336 1.123 0 50 CDAA O=C(O)CCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 225466447 DDTXFGPYLBOWSO-CZUORRHYSA-N 273.332 1.872 0 50 CDAA CC1(C)CNCC[C@@H](NC(=O)c2cccc(C(=O)O)c2)C1 630576544 KGMGACDTIDYGAR-CYBMUJFWSA-N 290.363 1.893 0 50 CDAA COc1cccc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)n1 643772814 VLDXZBJJTTZERR-OLZOCXBDSA-N 288.351 1.775 0 50 CDAA CCCc1occc1C(=O)N1CCC[C@](O)(CC(N)=O)C1 643999675 KZPPCKPSRVFLQB-HNNXBMFYSA-N 294.351 1.075 0 50 CDAA CN1CCN(C(=O)[C@@H]2CC[C@H](N)C2)c2ccc(F)cc21 262634458 GNLHQXDNZUOFGV-PWSUYJOCSA-N 277.343 1.736 0 50 CDAA COCc1nc2ccccc2n1CC(=O)NCC(C)C 32497912 XKUDKHNVDRLTGD-UHFFFAOYSA-N 275.352 1.955 0 50 CDAA Cc1ncncc1C(=O)NC[C@H]1CCO[C@@H]1C(C)C 267467091 SDVDHPZAZPDOCL-DGCLKSJQSA-N 263.341 1.576 0 50 CDAA C[C@@H](CC(=O)O)CC(=O)Nc1ccc(C(=O)O)cc1 206525 DLMYBHMPXXUFFM-MRVPVSSYSA-N 265.265 1.824 0 50 CDAA Oc1ccc([C@@H](O)CN=c2[nH]cnc3c2CCC3)cc1 1875279543 VTXROJAFYSGPJI-AWEZNQCLSA-N 271.320 1.238 0 50 CDAA CCc1nc2c(C(=O)N[C@H]3Cc4cncn4C3)ccnc2[nH]1 821385229 JBIIPLMPRRWFOT-VIFPVBQESA-N 296.334 1.072 0 50 CDAA OCCCN1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 933794210 LCXJFJDSGXXMEI-WFASDCNBSA-N 277.368 1.683 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C)c1ncccc1C 1120815812 FOMWURSXJBAUGS-LLVKDONJSA-N 261.325 1.212 0 50 CDAA C[C@](O)(C(=O)N1CCCc2n[nH]cc21)c1ccc(F)cc1 935709846 YVDOUASZFJXUGZ-OAHLLOKOSA-N 289.310 1.736 0 50 CDAA O=C(Cc1cccnc1)Nc1cccc(O[C@H]2CC(=O)N2)c1 1142119289 OCMQJJQEZJQFRH-INIZCTEOSA-N 297.314 1.488 0 50 CDAA Cc1ccc(S(=O)(=O)NCC[C@H]2CCNC2)cc1F 110797778 OIJIKBRPJHWECM-LLVKDONJSA-N 286.372 1.412 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)OC)[C@@H](C)CC 230069287 GNKLKKHUNYXUHO-MMWGEVLESA-N 257.330 1.115 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)Nc2cccc(Cl)c2)[C@H]2C=C[C@H]1O2 239347364 MUCYWRUWPNJXHN-DDHJBXDOSA-N 293.706 1.933 0 50 CDAA C[C@H]1CC[C@H](C(=O)NCCc2cccc(C(=O)O)c2)O1 155491145 JYPRNMDHJKOIKZ-GXFFZTMASA-N 277.320 1.611 0 50 CDAA CN1CCO[C@@H](CNCc2cn(C)nc2C(C)(C)C)C1 158144393 KZCMGVMDGJXQQE-ZDUSSCGKSA-N 280.416 1.138 0 50 CDAA Cc1nsc(NC(=O)[C@H]2CCc3cn[nH]c3C2)n1 266365024 HRSBTHVWGKKHJO-ZETCQYMHSA-N 263.326 1.313 0 50 CDAA Cc1cc(O)c(C(=O)N[C@@H](CO)CC(C)(C)C)cn1 271721125 XTLLJKVLKFLPPC-SNVBAGLBSA-N 266.341 1.623 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(Cl)c2C)C1 284845373 OOYCXZGTJPKQSK-WDEREUQCSA-N 283.755 1.870 0 50 CDAA CCn1ncc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)n1 293223111 YWGAWQMBBVFETB-NSHDSACASA-N 274.328 1.389 0 50 CDAA CCCN(C(=O)c1cccc(C(=O)O)c1)[C@@H]1CCNC1 568518859 QZKIUBJNCMJOMR-CYBMUJFWSA-N 276.336 1.599 0 50 CDAA O=C1N(Cc2ccc(F)cc2)CCC[C@]12CCNC2 72143570 BEAFJVANWSQDDL-OAHLLOKOSA-N 262.328 1.928 0 50 CDAA O=C([C@@H]1CC12CCOCC2)N(C[C@@H]1CCCN1)C1CC1 328642967 RFZSCIZYMBAYQF-JSGCOSHPSA-N 278.396 1.546 0 50 CDAA CNCc1nnc(NCc2nc3c(s2)CCCC3)o1 719552633 JDISMUORAUALNW-UHFFFAOYSA-N 279.369 1.736 0 50 CDAA CCCN1CCC[C@H](NC(=O)c2cc(O)ccc2N)C1 822922788 WOKFICBAZRLNMT-NSHDSACASA-N 277.368 1.579 0 50 CDAA O=C([C@@H]1CCCNCC1)N1CCC(N2CCCC2)CC1 827763377 XZBSDEKQDZSETJ-CQSZACIVSA-N 279.428 1.463 0 50 CDAA CN1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O 4783687 IDAJIKLPFGRPLS-SSDOTTSWSA-N 270.691 1.896 0 50 CDAA O=c1c2cnc3ncnn3c2ccn1Cc1ccco1 9290463 RBXONHTYLFXDPL-UHFFFAOYSA-N 267.248 1.081 0 50 CDAA Cn1cnc2nc(-c3c[nH]c4nccc-4c3)ncc21 2100554910 HHZSDIONMVRVGZ-UHFFFAOYSA-N 250.265 1.858 0 50 CDAA NC(=O)[C@H]1CN(c2cc(Cl)c(C(F)F)cn2)CCO1 2325792910 UTXVSXWVAXZNGV-MRVPVSSYSA-N 291.685 1.363 0 50 CDAA CN(CCc1ncccn1)c1ccc2ncnc(O)c2n1 2325865122 NVNOYJCQHLWWGW-UHFFFAOYSA-N 282.307 1.199 0 50 CDAA N[C@H]1C=C[C@@H](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 2325865961 VWIUILYKQAFDIW-KOLCDFICSA-N 284.323 1.099 0 50 CDAA C[C@H](O)Cc1nccn1Cc1ccc(C(=O)O)cc1 2325880072 SXFPHJPXYGUGSQ-JTQLQIEISA-N 260.293 1.553 0 50 CDAA CC[C@H]1CN(CCN[C@@H]2CCCn3ccnc32)CCO1 888094086 GRBKHCWQYOAUPX-UONOGXRCSA-N 278.400 1.418 0 50 CDAA O=C(O)c1cc(NC(=O)c2ccco2)cc(C(=O)O)c1 53011 JCUBEPKPDFDIRR-UHFFFAOYSA-N 275.216 1.928 0 50 CDAA COC(=O)c1onc(C(=O)c2ccccc2)c1C(=O)OC 339126 RZMXOUNJYAZJTQ-UHFFFAOYSA-N 289.243 1.479 0 50 CDAA O=C1NC2(CCCC2)C(=O)N[C@@H]1Cc1ccccc1 1558052 ZFBXXNWUZNCKIR-GFCCVEGCSA-N 258.321 1.157 0 50 CDAA O[C@@H]1C[C@@H](O)CN(Cc2cc(C(F)(F)F)ccc2F)C1 2356157688 QZTWLQSXTSDHAH-GHMZBOCLSA-N 293.260 1.772 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C)cc1 2491440 JPNGAFIAIFDDHB-GFCCVEGCSA-N 276.361 1.961 0 50 CDAA O=C1NC[C@H]2CN(C(=O)c3ccc(-c4cnco4)cc3)C[C@@H]12 2356163980 ZEAJIQZUMRLLPF-QWHCGFSZSA-N 297.314 1.160 0 50 CDAA O=C(Nc1ccc(Br)cc1)C(=O)NC1CC1 2820115 CZACGISPIBLIRR-UHFFFAOYSA-N 283.125 1.666 0 50 CDAA O=C(O)c1cccc(-n2[nH]c3c(c2=O)CCCC3)c1 3884296 BUEKHNSAMPGZHI-UHFFFAOYSA-N 258.277 1.743 0 50 CDAA N=C(N)NCCCCCCCCCCNC(=N)N 3995661 OZZMUVKANAPKGI-UHFFFAOYSA-N 256.398 1.073 0 50 CDAA in-vitro Cc1ccnc(N2C(=O)[C@H]3C[C@H](C)CCN3C2=O)c1 225558856 OBQLGIKDDQTGCM-GHMZBOCLSA-N 259.309 1.957 0 50 CDAA CO[C@@H](C)C(=O)O[C@@H](C)c1cnc(C2OCCO2)s1 225692162 YPYJNVRFZFTMTE-YUMQZZPRSA-N 287.337 1.828 0 50 CDAA COc1ccc(/C=C2\NC(=S)N(C)C2=O)cc1O 100291660 VXMXTPHXEONUCT-YVMONPNESA-N 264.306 1.088 0 50 CDAA C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2C[C@H]2C)C1 246145198 HCHQAFJGICQQNY-QMVSFRDZSA-N 278.396 1.653 0 50 CDAA COC[C@@H]1CN(Cc2cnoc2C)CC(C)(C)O1 343344210 NDNMRAUGLWYCML-LBPRGKRZSA-N 254.330 1.609 0 50 CDAA O=C(O)CCN1CCN(CCCC(F)(F)F)CC1 133895153 NLZLDIPSEWWJCB-UHFFFAOYSA-N 268.279 1.421 0 50 CDAA Cn1ncc2c(N)nc(N3CCc4ccccc4CC3)nc21 302871393 BWQJZVBREBSIFN-UHFFFAOYSA-N 294.362 1.551 0 50 CDAA CC(=O)N1CCC(N2CCC[C@H](Cn3ccnc3)C2)CC1 65501362 CCXSCWZALNOZHB-OAHLLOKOSA-N 290.411 1.606 0 50 CDAA CONC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 134756757 KFJUSHOSNOPSNQ-UHFFFAOYSA-N 276.214 1.408 0 50 CDAA Cc1nc(C)n(C[C@@H]2CCCCN2[C@H]2C[C@H](C)OC2=O)n1 247851864 WAVPTVRSRJMKGI-BPNCWPANSA-N 292.383 1.453 0 50 CDAA CC(C)CN1CCC[C@@H](CNC(=O)C2(N)CCCC2)C1 67726497 NNUYZIFHLHGZKP-AWEZNQCLSA-N 281.444 1.742 0 50 CDAA N[C@@H]1CC[C@@H](NC(=O)CCC(=O)Nc2cccc(O)c2)C1 67817697 HVKKKBWSCYYQPE-ZYHUDNBSSA-N 291.351 1.107 0 50 CDAA COC[C@H](Nc1nc(-c2ccccc2)ns1)C(N)=O 170598692 SWGKWRVETFJGOL-VIFPVBQESA-N 278.337 1.117 0 50 CDAA CCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 65361970 ZROQATPKQIPFGC-UHFFFAOYSA-N 284.381 1.531 0 50 CDAA COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc(OC)c1OC 277853 LZYQCYSHBONTGC-PRHODGIISA-N 299.348 1.501 0 50 CDAA biogenic COc1ccc(NC(=O)C2(N)CCCC2)cc1OC 37615992 KSWAUNWWIYSNGF-UHFFFAOYSA-N 264.325 1.914 0 50 CDAA in-vitro C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCCO2 252445870 HTYUHWMRQNGSKP-JMJZKYOTSA-N 291.303 1.356 0 50 CDAA COC[C@@H]1CCCCN(Cc2ncnn2CCF)C1 253429047 BYJRYCPYNISLPZ-GFCCVEGCSA-N 270.352 1.496 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC3(CC2)CNC(=O)C3)cn1 77358530 NKBDUDKFQZYZMO-UHFFFAOYSA-N 287.363 1.441 0 50 CDAA CN1CCCN(CCc2nc(-c3ccsc3)no2)CC1 32576263 RBUOKCFQSLSGPB-UHFFFAOYSA-N 292.408 1.978 0 50 CDAA CCCc1cc(C(=O)NCc2noc(COC)n2)no1 77505049 ODIYZDGIUSZIIC-UHFFFAOYSA-N 280.284 1.087 0 50 CDAA CCc1nn(C)c(Cl)c1CN(C)C[C@H]1COCCO1 216299010 AVDAPHUYMVGPHI-JTQLQIEISA-N 287.791 1.483 0 50 CDAA COC(=O)C(C)(C)NC(=O)CC[C@@H]1CCCCO1 170624664 RQKVOTJHKLRKMD-JTQLQIEISA-N 257.330 1.404 0 50 CDAA COc1cccc(-n2cc(CNC(=O)C(C)C)nn2)c1 363175265 QIILFZLKCDUAQG-UHFFFAOYSA-N 274.324 1.548 0 50 CDAA CCN(Cc1c(Cl)cncc1Cl)[C@H]1COC[C@@H]1O 215296587 OVIXXVVNBIOYNC-RYUDHWBXSA-N 291.178 1.970 0 50 CDAA CN(Cc1cccc2cnccc12)C(=O)CN1CCOCC1 218922876 RBPOAHQDGJQPDL-UHFFFAOYSA-N 299.374 1.525 0 50 CDAA CN(CCCC(=O)O)[C@H]1CCN(c2ccccc2)C1=O 237042550 ORLZYLWVKJKYKV-ZDUSSCGKSA-N 276.336 1.589 0 50 CDAA N[C@@H]1CCCC[C@H]1NC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1O2 333561512 LBPATQRZBNTORE-DHGKCCLASA-N 281.400 1.513 0 50 CDAA COC(=O)CCCC(=O)N[C@@H]1COc2cccc(F)c21 372523004 NLLNCYGRDYTZKO-SNVBAGLBSA-N 281.283 1.719 0 50 CDAA Cc1nc2ccccc2c(C)c1CC(=O)N1CCNCC1 237752401 METKADLDPFEGAG-UHFFFAOYSA-N 283.375 1.826 0 50 CDAA O=C(CO)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280131394 SQJJDXIYYKNCHK-LDYMZIIASA-N 289.253 1.332 0 50 CDAA Cc1c(C(=O)N2C[C@H](C(=O)O)c3ccccc32)cnn1C 131970796 FYERAIJZXPYSMT-LBPRGKRZSA-N 285.303 1.557 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NC(C)(C)CN(C)C 457228520 XLIDGTMYJOAEIS-UHFFFAOYSA-N 252.362 1.025 0 50 CDAA COC(=O)C1CCN(c2ccc(Cl)nn2)CC1 169105 HPDABTZAYLFFDV-UHFFFAOYSA-N 255.705 1.519 0 50 CDAA in-vitro O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1cc[nH]c1 220593797 MIUSHGBWXOGACS-CHWSQXEVSA-N 287.319 1.376 0 50 CDAA N[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2CN2CCCC2)C1 263297152 YIDUCLMCGDDUNA-MCIONIFRSA-N 265.401 1.201 0 50 CDAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@H]2CCNC2)C1 263284573 TZLRTSGBDOAQIH-OAGGEKHMSA-N 293.455 1.709 0 50 CDAA CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CNCC2 82807547 WQVDOMXLOFGPRP-UHFFFAOYSA-N 284.363 1.279 0 50 CDAA CC(C)n1cc(CN(C)C(=O)[C@@H](C)n2ccnc2)cn1 426465478 PIWFBANHQWFYTJ-GFCCVEGCSA-N 275.356 1.880 0 50 CDAA CN(C[C@H](O)c1cccnc1)C(=O)c1ccc(O)cc1F 1364425520 RBRIPKIXBUUUJZ-AWEZNQCLSA-N 290.294 1.732 0 50 CDAA CCN1CCC[C@](C)(CN2CCC[C@H](CO)C2)C1 199296823 XJCQVGGYQAVAFX-GJZGRUSLSA-N 254.418 1.813 0 50 CDAA C[C@H](C(=O)O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1 263516251 ACKFICRDIYQREF-QWRGUYRKSA-N 294.326 1.631 0 50 CDAA O=C(NCc1cc(C2CC2)n[nH]1)NCC1(O)CCCCC1 426488406 VKPYQXUOMYPUCN-UHFFFAOYSA-N 292.383 1.782 0 50 CDAA O=C(NCc1cnc2cnccn12)c1cc(C2CC2)[nH]n1 426486065 WZACIJAPEPBQJX-UHFFFAOYSA-N 282.307 1.260 0 50 CDAA Cc1nc2nccc(-c3ccc4c(c3)OCO4)n2n1 49544862 YPWLFLCEMXHLSR-UHFFFAOYSA-N 254.249 1.828 0 50 CDAA CN1CCO[C@H]2CCN(c3ccncc3Cl)C[C@@H]21 285130105 SANOBTUFOWEENW-STQMWFEESA-N 267.760 1.644 0 50 CDAA CC(C)c1nncn1CCNC(=O)[C@H]1C[C@@H]1C1CC1 176110785 CYCBWMJOPHCBBR-NEPJUHHUSA-N 262.357 1.564 0 50 CDAA CC(C)[C@@H](NC(=O)Cn1ccccc1=O)c1nccn1C 426529250 IFCCGULHXYNHEY-CQSZACIVSA-N 288.351 1.095 0 50 CDAA C/C=C1\C[C@@H](CO)N(C(=O)c2ccc(O)c(OC)c2)C1 145123793 GAUJSMAGHDSDFE-IYMAKHKGSA-N 277.320 1.554 0 50 CDAA O=C([C@@H]1CC12CCCCC2)N1CCN(c2nc[nH]n2)CC1 426689108 FKIBKBDWCKCDBV-LBPRGKRZSA-N 289.383 1.424 0 50 CDAA O=C(C[C@H]1CCc2ccccc21)N1C[C@@H]2CNC[C@@H]2C1 97823495 SHDZTQIOVWDXAU-KFWWJZLASA-N 270.376 1.784 0 50 CDAA COC(=O)[C@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 177594756 KBZZVAKWIVUAPK-JSGCOSHPSA-N 285.384 1.598 0 50 CDAA CCCCc1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)cc1 96151182 URKMFSYADWTEND-DOTOQJQBSA-N 291.391 1.987 0 50 CDAA c1cnnc(-c2noc(COC[C@@H]3CCCO3)n2)c1 91563222 BFSCCXWLECPORF-VIFPVBQESA-N 262.269 1.222 0 50 CDAA COC[C@]1(O)CCN(Cc2c[nH]cn2)CC1(C)C 91931833 PIGTURYDVIVIRF-CYBMUJFWSA-N 253.346 1.019 0 50 CDAA CCC[C@@H](Nc1cc(C(C)C)nc(N)n1)C(=O)NC 95381393 MPZXPYNIOAQANM-SECBINFHSA-N 265.361 1.509 0 50 CDAA CC(C)Cc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)n(C)n1 91417062 BTJHSUNLSMHNLF-KGLIPLIRSA-N 290.411 1.428 0 50 CDAA CSC[C@H](C)NC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 245343997 WWTWCMKWMPGOFA-XUXIUFHCSA-N 297.468 1.864 0 50 CDAA O[C@@H]1CCCOC12CCN(Cc1cncn1C1CC1)CC2 244659755 HICLBSOGCZZZSO-OAHLLOKOSA-N 291.395 1.724 0 50 CDAA Cc1ccnc(SCC(=O)NCCC[C@H]2CCOC2)n1 244840193 UIHOJGVZJJAMGQ-LBPRGKRZSA-N 295.408 1.810 0 50 CDAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCC(N)=O 253417335 KJPNHIQEZNROHE-FOGDFJRCSA-N 285.388 1.095 0 50 CDAA CC(C)(C)n1nnc(C(=O)N=c2cc[nH]c3ccccc23)n1 622781526 XPYROQDSYWXCBG-UHFFFAOYSA-N 296.334 1.651 0 50 CDAA Cc1cc(F)ccc1C(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91793166 PISDQJPASHZRBF-KGLIPLIRSA-N 262.328 1.943 0 50 CDAA Cc1cncc(N2CCOC3(CCN(C)CC3)C2)n1 645385974 XMYZWDMSXRNLRG-UHFFFAOYSA-N 262.357 1.086 0 50 CDAA CN(Cc1noc(C2CCC2)n1)c1ncnc2n[nH]cc12 823743828 PYCQRKZWQVXGDE-UHFFFAOYSA-N 285.311 1.640 0 50 CDAA CCc1cc(N2CCN(CCc3ncc[nH]3)CC2)ncn1 823557528 SRKZRDQEDJMZGR-UHFFFAOYSA-N 286.383 1.127 0 50 CDAA O=C(CCCc1cn[nH]c1)NCCc1noc(C2CC2)n1 584900033 MIDABUYDDBDLDZ-UHFFFAOYSA-N 289.339 1.352 0 50 CDAA CC(C)(C)n1ncnc1CCCN1CCCCC1=O 670472060 YJDFAVWAMZYPQP-UHFFFAOYSA-N 264.373 1.978 0 50 CDAA N=c1[nH]c(CNC(=O)c2cnc(C3CC3)nc2)cs1 584892721 OITFYBQKHRRJEX-UHFFFAOYSA-N 275.337 1.153 0 50 CDAA CS(=O)(=O)NC[C@@H](O)c1ccccc1Br 832772083 HBKVFKCMFYSIBR-SECBINFHSA-N 294.170 1.032 0 50 CDAA COCc1nc(CNC(C)=O)n(-c2cc(C)ccc2C)n1 670450298 ZIHQMWUUPPYEJA-UHFFFAOYSA-N 288.351 1.667 0 50 CDAA C[C@H](c1ccccn1)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 685941228 VJIHONJXNUVEQC-LLVKDONJSA-N 299.378 1.844 0 50 CDAA CC(C)(C)OC(=O)c1cc(C(=O)NC2CC2)[nH]n1 1527373620 VPTKZRBFQFOYII-UHFFFAOYSA-N 251.286 1.257 0 50 CDAA Cc1cccc(-n2nc(CC(C)C)nc2CCN)n1 952872390 NOOQSNLJKWKWGH-UHFFFAOYSA-N 259.357 1.670 0 50 CDAA CCCCc1ncc(CN(C)[C@H](C)CC(N)=O)[nH]1 952990123 KLOHTGMGIGDDJG-SNVBAGLBSA-N 252.362 1.448 0 50 CDAA O=C(O)[C@H](C1CC1)n1nnc(-c2ccc3ncccc3c2)n1 1548451849 JPGJLXVVRWAIHG-ZDUSSCGKSA-N 295.302 1.924 0 50 CDAA O=S(=O)(c1cccs1)N1CC[C@H](c2cnccn2)C1 1464674390 QGHULULIKVLIMJ-JTQLQIEISA-N 295.389 1.716 0 50 CDAA CN(C(=O)c1c(F)cc(F)cc1F)[C@@H]1CCNC1 86996244 ISBPNCPRVZLQPV-MRVPVSSYSA-N 258.243 1.538 0 50 CDAA C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2)C[C@H](c2ccccc2)O1 269249822 LYLCUMRMYSECSF-UNEWFSDZSA-N 288.391 1.975 0 50 CDAA CCc1nc(C)cc(N2CCC[C@H](NC(C)=O)C2)n1 408101635 QHGNJMDUUFGTEQ-LBPRGKRZSA-N 262.357 1.452 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CCCO[C@H]2C(C)C)n1C 408474885 WUZOCAZSRMMOML-QWRGUYRKSA-N 266.345 1.513 0 50 CDAA COC[C@H]1CN(c2nccc(SC)n2)CCO1 408524400 UANZLGYQZURGAK-SECBINFHSA-N 255.343 1.050 0 50 CDAA Cc1noc(C)c1C(=O)NC[C@H]1CCc2nccn2C1 275293221 GHXBVFDMZFUAIM-LLVKDONJSA-N 274.324 1.480 0 50 CDAA O=C(NC[C@H]1CCCOC1)c1csc(Cl)n1 275513694 XTIPMOCWNGXXCR-SSDOTTSWSA-N 260.746 1.953 0 50 CDAA O=C(O)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C[C@@]23C=C[C@H]1O3 169676165 OBEJYZKIHMQPDP-BLTAXRJOSA-N 289.262 1.197 0 50 CDAA in-vitro Cc1nn2c(CN[C@H]3CCOC[C@H]3C)c(C)nc2s1 277553563 RDICGWAGQZXCEP-KCJUWKMLSA-N 280.397 1.922 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)NC1(C(=O)O)CC1)C2 170066648 PLWYWNDBUBGWBU-GFCCVEGCSA-N 275.304 1.340 0 50 CDAA O=C(C[C@@H]1C=CCC1)N[C@@H](Cc1ccncc1)C(=O)O 655600400 FQAFYQVKBQBXFM-YPMHNXCESA-N 274.320 1.550 0 50 CDAA CN=c1ccc(NC(=O)c2ncn(C(C)(C)C)n2)c[nH]1 638250588 BLOVLLLCZMQLBJ-UHFFFAOYSA-N 274.328 1.144 0 50 CDAA NC(=O)c1cc(N2CC[C@@H](OCc3ccncc3)C2)ccn1 192899725 HKJLCHRUFWGPFI-CQSZACIVSA-N 298.346 1.371 0 50 CDAA CCS(=O)(=O)N1CC(CN[C@H]2CC(C)(C)C[C@H]2C)C1 193149905 IWEPSYGBGODEHS-YPMHNXCESA-N 288.457 1.682 0 50 CDAA CN(C)c1nccc(=N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)[nH]1 649403759 RRIALKITYQLLPS-CHWSQXEVSA-N 298.346 1.690 0 50 CDAA CC(=O)N1CC[C@@H](CNc2ncnc3[nH]ccc23)C1 663913167 DISPHCUFIXWABV-JTQLQIEISA-N 259.313 1.238 0 50 CDAA Cc1nccnc1C(=O)N[C@H]1CCc2c(O)cccc21 668715419 OXTSYJTUCRPKHT-LBPRGKRZSA-N 269.304 1.908 0 50 CDAA Cc1cc(N2CCC(N3CCOC[C@H]3C)CC2)nc(C)n1 583650855 CQXQDKCJKFQZJC-CYBMUJFWSA-N 290.411 1.783 0 50 CDAA CCOC(=O)c1cnc(N2CC(COC)C2)nc1C 585092369 SRFARKIIXLBAKF-UHFFFAOYSA-N 265.313 1.044 0 50 CDAA CCOC(=O)C[C@@H](O)CN1CCC[C@@H]1c1ccccn1 585123400 BSLBPMXCMNIBHB-TZMCWYRMSA-N 278.352 1.533 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H](C1CC1)C(F)(F)F 908231677 DYOKKKLSRQDFPQ-LLVKDONJSA-N 278.274 1.478 0 50 CDAA N[C@H]1CC12CCC(NC(=O)Cn1ncc3cccnc31)CC2 1615546143 MAEIUDDSEXMLSO-UYJPIKCFSA-N 299.378 1.208 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC(C)(F)F 1615553505 LRKFGZJJMFOPOJ-AWEZNQCLSA-N 284.306 1.567 0 50 CDAA COC[C@H]1C[C@@H](O)CN1Cc1ncoc1C1CCC1 1615588837 UBIPLZSZQFVNCF-VXGBXAGGSA-N 266.341 1.524 0 50 CDAA CCc1ccnc(C(=O)N[C@@H]2CCC[C@@H]2Cn2ccnn2)c1 1616032390 MUGZSWRBRUNKGL-ZIAGYGMSSA-N 299.378 1.834 0 50 CDAA C[C@@H](NC(=O)N1CCC(F)(F)CC1)c1nc[nH]n1 1668396226 NCPKHAKBPSHYSZ-SSDOTTSWSA-N 259.260 1.306 0 50 CDAA CSCC[C@H](N)C(=O)Nc1c2c(nn1C)CSC2 1506413620 JUOBBEUNPRKDAE-QMMMGPOBSA-N 286.426 1.186 0 50 CDAA O=C(CCc1cn[nH]c1)N1CC(c2ccncc2)C1 1506402835 KQCHGZFAPVIXMK-UHFFFAOYSA-N 256.309 1.363 0 50 CDAA CSCCC(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529159429 QIESALHJIZTSNJ-DGCLKSJQSA-N 280.393 1.197 0 50 CDAA O[C@H]1CC[C@H](N=c2c(F)c[nH]cc2Cl)CC[C@H]1O 1857530512 IDSSFWNHGSZLRU-IJRMOIDVSA-N 274.723 1.372 0 50 CDAA Cc1cc([C@@H]2CCCN2C(=O)c2cnc(O)cn2)no1 223698759 GYJJMRZAGLVLCL-NSHDSACASA-N 274.280 1.456 0 50 CDAA Cc1nc(CC(=O)N2CCN3CC[C@H]2C3)c(C)s1 615568610 OUUUSCVLMJGQTQ-NSHDSACASA-N 265.382 1.219 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)C[C@H](C)O1 2651910 ZHDKFRBHCZXAJB-UWVGGRQHSA-N 270.354 1.067 0 50 CDAA in-vitro Cc1ccc(C)c(OCC(=O)NCCN(C)C)c1 2986144 NOKJRNQKBXVMQG-UHFFFAOYSA-N 250.342 1.360 0 50 CDAA CCOC(=O)c1sc2ncnc(NCCO)c2c1C 2886977 YXQNEKDNLBJLKF-UHFFFAOYSA-N 281.337 1.581 0 50 CDAA CN(CCN1CCCCC1)c1ncnc2c1cnn2C 521396633 IEYSPZKGEUPHII-UHFFFAOYSA-N 274.372 1.285 0 50 CDAA CO[C@]1(C)C[C@@H](N(C)C(=O)[C@@H]2CCCNC2)C1(C)C 121653702 OJRXYJZVMZASFW-LALPHHSUSA-N 268.401 1.648 0 50 CDAA O=S(=O)(c1ccc(F)c(Cl)c1)N1CCNCC1 34858999 VVUIDUDDWNRWFH-UHFFFAOYSA-N 278.736 1.073 0 50 CDAA in-vitro CO[C@](C)(CO)CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585091121 ZGONPBDUFAHRKO-FMSGJZPZSA-N 255.358 1.326 0 50 CDAA CN1CCC(CN(C)C[C@H]2CCC(=O)N(C)C2)CC1 1772814623 KKBDFHFEGXSWFG-CQSZACIVSA-N 267.417 1.128 0 50 CDAA CN(C)C[C@@]12CNC[C@@H]1CN(C(=O)c1ccc(Cl)o1)C2 1772711323 HKBOMEUKTKMEMC-QMTHXVAHSA-N 297.786 1.156 0 50 CDAA O=C(c1ncc(F)cc1F)N1CCC[C@@H]1C1(O)CC1 1775982252 NCRNLOIBMUAZSI-SNVBAGLBSA-N 268.263 1.489 0 50 CDAA COC(=O)c1ccc(OC[C@@H](O)CNC(C)(C)C)cc1 2827950 SZAYMQLNVXIKNC-LBPRGKRZSA-N 281.352 1.601 0 50 CDAA CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCCO1 2943449 YZUKKPJSUIOQPV-LLVKDONJSA-N 292.335 1.319 0 50 CDAA N[C@H]1C[C@@H](C(=O)NCc2cccc3c2OCC3)[C@@H]2C[C@H]12 1857526981 NYJJQOSPEDERGB-RQJABVFESA-N 272.348 1.221 0 50 CDAA C[C@]1(c2ccc(F)cc2)C[C@H]1NC(=O)Cc1cc[nH]n1 1857527032 LVZCTQGTFNBNGQ-UKRRQHHQSA-N 273.311 1.938 0 50 CDAA NC(=O)c1ccnc(N2CC[C@H](OCc3ccncc3)C2)c1 1857528663 KPTMMDIAWXRDJC-AWEZNQCLSA-N 298.346 1.371 0 50 CDAA N[C@@H]1C[C@@H](C(=O)N(Cc2ccccn2)C2CC2)CC[C@H]1O 1857737532 RJPPFRVBRIQONX-NILFDRSVSA-N 289.379 1.061 0 50 CDAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H]2CCNC2)c1 127553870 DMKJWGPVLUJZNC-GHMZBOCLSA-N 282.771 1.894 0 50 CDAA C[C@H](CNC(=O)[C@H]1CCOc2ccccc21)C(=O)O 111185674 VOEKIMWMQBFOCA-KOLCDFICSA-N 263.293 1.390 0 50 CDAA NCCCn1cc(C(=O)NCCCC2CCCCC2)nn1 423002753 ZMUHSRLFJALSFN-UHFFFAOYSA-N 293.415 1.717 0 50 CDAA CC[C@H](C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 261903 RUUWUOYPIXTMLF-KWQFWETISA-N 261.277 1.782 0 50 CDAA in-vitro O=C(O)c1ccc(CN2CCN(c3ncccn3)CC2)cc1 11864779 CFAMGOJROSQHHQ-UHFFFAOYSA-N 298.346 1.497 0 50 CDAA Cc1cncc(CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c1 242292526 YMXMLNLQPOIIAY-ZIAGYGMSSA-N 275.352 1.757 0 50 CDAA CC(C)(C)OC(=O)NCc1cc(C(=O)O)c2n1CCOC2 757115605 MDPBQJKWACYILS-UHFFFAOYSA-N 296.323 1.741 0 50 CDAA Cn1cnc(=NC(=O)c2ccc(N3CCCCC3)cc2)[nH]1 356415732 GMMDRWVRWAIZOY-UHFFFAOYSA-N 285.351 1.480 0 50 CDAA NC[C@@H]1CCCN(C(=O)c2cnc(O)c3ccccc23)C1 580324362 PLYBHLVOPBZKJE-NSHDSACASA-N 285.347 1.751 0 50 CDAA c1cc(CN[C@@H]2CCOC23CCCC3)cc(-n2cncn2)n1 903208828 AEGSQNBVRKTXHB-CQSZACIVSA-N 299.378 1.854 0 50 CDAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)C[C@@H]1n1ccnc1 828279405 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Cc1nc(C(F)(F)CNC(=O)c2oc(C)nc2C)n[nH]1 1775986367 NJVHSELIDYJKFT-UHFFFAOYSA-N 285.254 1.240 0 50 CDAA OCc1cc(N2CC[C@@](O)(c3ccccc3)C2)ccn1 32511782 GEYCIEPYVHSVGF-INIZCTEOSA-N 270.332 1.672 0 50 CDAA O=C(O)CN(CC(=O)O)C[C@@H]1CCOc2ccccc21 162040048 IRRBULXYHSNNOS-JTQLQIEISA-N 279.292 1.024 0 50 CDAA O=C(NC1CCC(C(=O)O)CC1)c1cnn(C2CC2)c1 630135169 JPGJGAMYVVMIIS-UHFFFAOYSA-N 277.324 1.591 0 50 CDAA CCCN1CCN(C[C@@H]2CC(CC)=NO2)CC1=O 670461570 PZBYJWVJRAFJKZ-LBPRGKRZSA-N 253.346 1.096 0 50 CDAA O=C1CCCN1c1cccc(CNCC2(O)CCC2)c1 577721568 RTTCNAFRCRWDJM-UHFFFAOYSA-N 274.364 1.818 0 50 CDAA N[C@H]1COC[C@H]1Oc1ccc(Br)cc1 117371581 GRTOEAAOPRPWSN-VHSXEESVSA-N 258.115 1.554 0 50 CDAA O=C1C[C@H](N2CCCCC2)C(=O)N1c1ccc(F)cc1 317891 BGROMTOSQBHRBM-ZDUSSCGKSA-N 276.311 1.944 0 50 CDAA CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 3614125 INZRUDDQJIWWCF-UHFFFAOYSA-N 296.392 1.238 0 50 CDAA Cn1cnc2cnc(NCc3nnc4ccccn34)nc21 2100537238 KCHJNUMQEHIYEF-UHFFFAOYSA-N 280.295 1.018 0 50 CDAA 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O=C(O)[C@@]12CCCC[C@@H]1CN(c1cncc3ncnn13)C2 910474354 KQBRJCXVVUALBJ-QMTHXVAHSA-N 287.323 1.206 0 50 CDAA O=C(Nc1nc2c(s1)CC[C@@H](C(=O)O)C2)C1CC1 910677665 AIUIUMQTSLYAAB-SSDOTTSWSA-N 266.322 1.681 0 50 CDAA C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C[C@H]1n1ccnc1 828279406 ZPZTZYWHFBRGDK-WISYIIOYSA-N 277.324 1.013 0 50 CDAA COc1c(C)[nH]cc(CN(C)Cc2n[nH]cc2C)c1=O 931326108 MKQIYGQDSMFPCB-UHFFFAOYSA-N 276.340 1.355 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)NCC2CCOCC2)c1 111163658 JQXMQVISKOBQOX-UHFFFAOYSA-N 299.348 1.090 0 50 CDAA COC[C@@](C)(NC(=O)Nc1ccc(C)cc1)C(=O)O 225708020 GGTAQRYDUWZEMS-CYBMUJFWSA-N 266.297 1.606 0 50 CDAA O=C(NCCOCCO)Nc1cccc2ccccc12 3156677 VESAFFRBLZDXJU-UHFFFAOYSA-N 274.320 1.970 0 50 CDAA O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccco1 6729701 BFWSKAJZTVUTMX-UHFFFAOYSA-N 255.237 1.712 0 50 CDAA CO[C@H](C)c1noc(CN2CC[C@]3(CCOC3)C2)n1 153468539 XJBIGQAPIMENMO-MFKMUULPSA-N 267.329 1.389 0 50 CDAA C[C@H]1COC[C@@H](C)N1C(=O)C[C@@H](C)[C@H]1CCCNC1 262641644 RXRQCYLJONXAON-MQYQWHSLSA-N 268.401 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Cc1cc(F)ccc1S(=O)(=O)N(C)[C@H](C)CC(N)=O 952979909 PJFWSJSXBVRIAL-SECBINFHSA-N 288.344 1.019 0 50 CDAA CCC(=O)Nc1nc2nc(-c3ccccc3)cc(O)n2n1 18128865 UNKXGUKGIICALS-UHFFFAOYSA-N 283.291 1.845 0 50 CDAA Cc1cnn(CCC(=O)N2C[C@H](c3ccccc3)[C@H]2CO)c1 2325791200 AGGXXYSIYQZNHO-HZPDHXFCSA-N 299.374 1.569 0 50 CDAA C[C@@H]1CC[C@H]2CN=C(NCc3ccns3)N2C1 2325801536 MIUCAMIIDLXAGQ-ZJUUUORDSA-N 250.371 1.703 0 50 CDAA O=C(O)[C@H]1CC=CCN1C[C@@H](O)Cc1cccc(F)c1 2325803486 JXRLISAVWHEZCD-UONOGXRCSA-N 279.311 1.444 0 50 CDAA CCc1nnc([C@@H](C)N2CCN(C(=O)C3CC3)[C@@H](C)C2)o1 2325815805 MTGATLMJURPYNE-WDEREUQCSA-N 292.383 1.636 0 50 CDAA O=c1cnn(Cc2ccccc2)c(=O)n1Cc1ccccc1 195050 OUKPSCDFKNISOV-UHFFFAOYSA-N 293.326 1.502 0 50 CDAA Nc1cc(N)nc(SCC(=O)Nc2ccccc2)n1 287609 IRGSJMYDZBSVTR-UHFFFAOYSA-N 275.337 1.372 0 50 CDAA O=C(Nn1c(S)nc2ccccc2c1=O)c1ccncc1 314261 HKUHQGWFXGGDMR-UHFFFAOYSA-N 298.327 1.464 0 50 CDAA COC(=O)[C@@]12COC[C@@H]1CN(c1cnc3ccccc3n1)C2 2356146578 MDRONMZXWNSGJV-ZBEGNZNMSA-N 299.330 1.256 0 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APDBTFWJSGQMKU-JTQLQIEISA-N 290.319 1.012 0 50 CDAA CCn1cccc(NC(=O)N[C@@]2(C)CCO[C@H]2C)c1=O 333908434 DIFWIUVFEDBAHA-HZMBPMFUSA-N 279.340 1.557 0 50 CDAA CCS(=O)(=O)CCNC(=O)N(C)[C@@H](C)c1ccncc1 76038221 OWVDUXRLYPZSMY-NSHDSACASA-N 299.396 1.219 0 50 CDAA Cc1nn(C)cc1CN(C)c1ncnc2[nH]cnc12 32565321 RXWFBXRIQZXSSQ-UHFFFAOYSA-N 257.301 1.031 0 50 CDAA O=C(O)c1cccnc1NCCNc1ccccn1 608390747 GIJDBKGUTQOCDE-UHFFFAOYSA-N 258.281 1.699 0 50 CDAA CCCC[C@@H](C)C(=O)NC[C@H]1CCCS1(=O)=O 337117135 ZSHJTGKMYFJESR-GHMZBOCLSA-N 261.387 1.506 0 50 CDAA O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCN(c2ccccc2)C1 253432389 YNTKXVQXKUOQLN-UONOGXRCSA-N 285.347 1.692 0 50 CDAA CC1(C)CN(C(=O)CC(=O)NCC(F)(F)F)[C@@H]1C1CC1 365687956 IAXWPSIZVXLLSF-LLVKDONJSA-N 292.301 1.702 0 50 CDAA O=C(N[C@H]1CC[C@H](CO)CC1)c1cccnc1S 245974642 WSRGHKCOCVUYGW-MGCOHNPYSA-N 266.366 1.651 0 50 CDAA Cc1cccc(Cl)c1C(=O)N1CCN(C)[C@@H](CO)C1 913542773 RTUIYKUBRXOFFA-LLVKDONJSA-N 282.771 1.397 0 50 CDAA CN(C/C=C/C(=O)N(C)[C@@H]1CCCOC1)CC(F)(F)F 493492376 LEWAUEAFHGSMQR-ZXCPCRMDSA-N 294.317 1.674 0 50 CDAA Cc1cccc(CN2CCN(C(=O)c3[nH]cnc3C)CC2)c1 72409249 LUUCZZNCOIWWGJ-UHFFFAOYSA-N 298.390 1.985 0 50 CDAA CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](C(=O)O)[C@@H]2C)c1C 262953158 HKLQCIPUERVCNR-ONGXEEELSA-N 292.335 1.769 0 50 CDAA CCc1ccccc1CNC(=O)N(C)CCN(C)C 176393744 QCOHGQFWXGJHAK-UHFFFAOYSA-N 263.385 1.952 0 50 CDAA CSc1ccc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)o1 1548767011 DUZXKZWZZMKVEW-SSDOTTSWSA-N 279.325 1.144 0 50 CDAA CCCCOCC(=O)N1CCN(c2ccccc2)C(=O)C1 85533867 QKUHADXIWCEWLO-UHFFFAOYSA-N 290.363 1.679 0 50 CDAA NCCn1cnc2scc(-c3ccco3)c2c1=O 43073369 AKQQKLHZBKQWIC-UHFFFAOYSA-N 261.306 1.677 0 50 CDAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OC)cc1C 222607184 NRMQZEUOLARDIO-TZMCWYRMSA-N 279.336 1.537 0 50 CDAA CO[C@@H]1CCN(C(=O)c2ccc(C)s2)[C@H](CN)C1 161077833 RVUOIYZMILXWCL-WDEREUQCSA-N 268.382 1.635 0 50 CDAA CN(C)S(=O)(=O)c1ccc(-c2cc(CO)ccn2)cc1 426641386 OPQGSOOGDVGCTL-UHFFFAOYSA-N 292.360 1.491 0 50 CDAA CC(C)c1cc(CSc2nnc(CN)n2C)no1 426487841 DOHAYYDKQITRRX-UHFFFAOYSA-N 267.358 1.678 0 50 CDAA CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@H](N)C2)s1 237313832 FXBHKOAJBOTTMU-IUCAKERBSA-N 269.370 1.332 0 50 CDAA CCc1c(C(=O)N2CC[C@@H](N)C2)cnn1Cc1ccccc1 237097566 SZBBSTSHBHOZQS-CQSZACIVSA-N 298.390 1.667 0 50 CDAA COCC[C@]1(CO)CCCN(C(=O)CCC(F)(F)F)C1 91604786 QOBSMVIVDHPZFX-GFCCVEGCSA-N 297.317 1.967 0 50 CDAA C/C=C/CC(=O)N1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1 95379124 FEJZNGQUSGDAKO-APHBUQMISA-N 293.411 1.108 0 50 CDAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CCCOC2)c(C)o1 181318792 DEMSCKRFXZLXDL-SNVBAGLBSA-N 287.337 1.128 0 50 CDAA COCCN1CCC(c2nc([C@@H]3CCOC3)no2)CC1 96180239 HOUPGLRPCQUFJC-GFCCVEGCSA-N 281.356 1.399 0 50 CDAA C[C@@H](C(=O)N(C)Cc1noc(C2CC2)n1)c1ccnn1C 622719442 HCTIDHRULGZVOL-SECBINFHSA-N 289.339 1.443 0 50 CDAA O=C(CCn1cccc(C(F)(F)F)c1=O)N1CCCC1 95367789 OHGGWZAOLTVSBT-UHFFFAOYSA-N 288.269 1.880 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@@H]1N(C)C 91965847 LIDMJACKHDQCGK-OLZOCXBDSA-N 277.368 1.033 0 50 CDAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cnc[nH]1 244774099 PNZSKHAGPPVBSJ-IHRRRGAJSA-N 285.347 1.522 0 50 CDAA CCN(CC(=O)Nc1cccc(C)c1)[C@H]1COC[C@@H]1O 244735012 NRLJVIBZXAKJBH-KBPBESRZSA-N 278.352 1.015 0 50 CDAA CNc1nc(CN2CCC(c3nnc[nH]3)CC2)cs1 243885670 ABHNFVKBEQTDKO-UHFFFAOYSA-N 278.385 1.683 0 50 CDAA CNC(=O)NC1CN(C(=O)Nc2cc(F)ccc2C)C1 253415683 CAWUGHZMQORWBL-UHFFFAOYSA-N 280.303 1.279 0 50 CDAA Cc1ncsc1CCC(=O)N(C)CCN(C)C1CC1 298816772 ATWFHJDEYNFMEZ-UHFFFAOYSA-N 281.425 1.937 0 50 CDAA CCCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](N)C1 299739027 JPWSMXSUBOAJBG-CHWSQXEVSA-N 253.390 1.201 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)CCc1cscn1 269115715 NEHAMJVKTGUGJW-SECBINFHSA-N 254.311 1.151 0 50 CDAA CCC(=O)N1CCCN(C(=O)c2cc(C3CC3)on2)CC1 252527873 DOUKNHHZBYIGJH-UHFFFAOYSA-N 291.351 1.637 0 50 CDAA c1cnc(OC2CCN(CCCn3cccn3)CC2)nc1 252500853 TWOBLLYOFIDODW-UHFFFAOYSA-N 287.367 1.607 0 50 CDAA CCCc1cnc(NC[C@H]2CN(C(C)=O)CCO2)nc1 534653099 IXILRSQBVPMWPE-ZDUSSCGKSA-N 278.356 1.088 0 50 CDAA COc1ccc(NC(=O)NC[C@@]2(O)CCNC2)cc1Cl 299782359 VPRZQAHPZJMUKG-CYBMUJFWSA-N 299.758 1.195 0 50 CDAA COCCn1cncc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 299790192 BKJZEEYJIWJLCG-JKSUJKDBSA-N 299.374 1.949 0 50 CDAA Cc1nn(CCCNC(=O)c2cnc[nH]2)c(C)c1C 299794644 KZTQYGLIADRSJR-UHFFFAOYSA-N 261.329 1.352 0 50 CDAA c1ccc2c(c1)CC[C@H](N1CCN(Cc3ncon3)CC1)C2 299785465 RNHMXWWIHRQDKG-INIZCTEOSA-N 298.390 1.745 0 50 CDAA CCCc1nc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)cs1 823023312 DSYBRFOTEZVEBQ-RYUDHWBXSA-N 298.408 1.706 0 50 CDAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](O)CC2 828636772 SPILFJDDRWJHHV-CYBMUJFWSA-N 299.374 1.542 0 50 CDAA COc1cc(OC)[nH]c(=NCC2(CN3CCCC3)CC2)n1 584885042 SOQRTIVLTCZZTK-UHFFFAOYSA-N 292.383 1.204 0 50 CDAA Cc1cccc2oc(Cn3cnc4nccnc4c3=O)nc12 584887572 VGGLMCHCHHAFAI-UHFFFAOYSA-N 293.286 1.684 0 50 CDAA Cc1csc2c(=O)n([C@@H]3CCCNC3=O)cnc12 584884845 VARLUEKVXGDBNU-MRVPVSSYSA-N 263.322 1.218 0 50 CDAA COc1cccc(N2CCN([C@H]3CCSC3)CC2=O)c1 670453921 CIEVGORQRFHZAQ-ZDUSSCGKSA-N 292.404 1.849 0 50 CDAA Cc1cc(O)nc(CCNC(=O)Cc2ncccc2C)n1 584894014 SVZQJTXCQOVLGZ-UHFFFAOYSA-N 286.335 1.095 0 50 CDAA O=C(N[C@H]1CNC[C@@H](F)C1)OCc1ccccc1 110915976 ABEYDAZZAVWOEL-NWDGAFQWSA-N 252.289 1.613 0 50 CDAA in-vitro CCC(=O)NC[C@H]1C[C@H](c2nc(C3CC3)no2)C[C@H]1O 952848362 FMAUJOOJWUCIFT-HBNTYKKESA-N 279.340 1.328 0 50 CDAA Cc1cscc1C(=O)N1CC[C@H](Cc2nn[nH]n2)C1 1875286000 KFOJZRGZUBQWFH-SECBINFHSA-N 277.353 1.274 0 50 CDAA CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1c1nc(=N)[nH]c(=N)[nH]1 1875268496 BVBJMLUZPAAXGS-CHWSQXEVSA-N 298.394 1.778 0 50 CDAA CC(=O)Nc1nc(CN2CC[C@@H](c3cc[nH]n3)C2)cs1 1875273812 LUSJZYISBFUWAS-SNVBAGLBSA-N 291.380 1.814 0 50 CDAA O=C(c1nc(C2CC2)no1)N1CC(Nc2ccccc2)C1 1875282716 PPEZPRZPOOCTJA-UHFFFAOYSA-N 284.319 1.884 0 50 CDAA OCc1cccc(-c2cn(CCN3CCCCC3)nn2)n1 1875281893 DADHZMBEWNQGOU-UHFFFAOYSA-N 287.367 1.318 0 50 CDAA O=C([C@@H]1NC[C@@H]2CC[C@@H]21)N1CCc2c(F)cccc21 1875292254 BEYWYQPRMPOEHE-PKFCDNJMSA-N 260.312 1.713 0 50 CDAA Cc1ccc(CN(C)C(=O)CN2CCC(CO)CC2)nc1 1875274326 NCPLKLVMGLZKTF-UHFFFAOYSA-N 291.395 1.053 0 50 CDAA CCn1cc(NC(=O)N(C)Cc2cccnc2)nn1 1875296969 WVTSTHHDDBDUIQ-UHFFFAOYSA-N 260.301 1.357 0 50 CDAA C=CC(=O)N[C@@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1 1875369964 SWHDVASSMBGDDT-XPUUQOCRSA-N 259.231 1.673 0 50 CDAA Cn1ncc2cccc(OC[C@@H]3C[N@@]3CC3CC3)c2c1=O 1875385149 NJKBEYOZRVZQOU-ORAYPTAESA-N 285.347 1.407 0 50 CDAA CN(C)C/C=C/C(=O)N(Cc1ccnn1C)C1CC1 1875376808 JFSWTUIPKVIOLM-SNAWJCMRSA-N 262.357 1.029 0 50 CDAA CCn1cc(-c2n[nH]cc2C(=O)N2CCC3(CC3)C2)cn1 1875312782 AHTHMQOSCDDMST-UHFFFAOYSA-N 285.351 1.919 0 50 CDAA CN(C)C/C=C/C(=O)NCC[C@@H]1OCCc2ccccc21 1875377417 ZTWFHZCXJATZOH-WHWKNOJMSA-N 288.391 1.925 0 50 CDAA CN(C(=O)C[C@H]1CCNC1=O)[C@H]1CCC(C)(C)C1 879842680 FOOQVHVWFNQNEI-MNOVXSKESA-N 252.358 1.550 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)[C@H]1CCCn2nccc21 887536678 WLBYTQMFBZDJCZ-LBPRGKRZSA-N 289.379 1.572 0 50 CDAA COCc1cc(C2CN(C[C@@](C)(O)C(F)(F)F)C2)no1 886079728 YJZQXHXRIUZYCF-LLVKDONJSA-N 294.273 1.534 0 50 CDAA C[C@@H]1NCCN(C(=O)C[C@@H](O)c2cccc(F)c2)[C@H]1C 888096330 AUXYOANJCDNZNL-COPLHBTASA-N 280.343 1.458 0 50 CDAA Cc1cc(N[C@H]2CCOC2=O)nc(-c2ccccn2)n1 894998934 QLYZTBAPIHNRLK-NSHDSACASA-N 270.292 1.574 0 50 CDAA CO[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCCC1 1411857103 PCGHLNWVOMXLCQ-LBPRGKRZSA-N 289.383 1.919 0 50 CDAA CC(C)c1ncncc1C(=O)NCC(=O)C(C)(C)C 270568726 YCIZHKFVIYZKGE-UHFFFAOYSA-N 263.341 1.945 0 50 CDAA O=C(NCc1cnn[nH]1)C(F)(F)c1cc(F)cc(F)c1 1433775084 VUAOOVJAVLVKGI-UHFFFAOYSA-N 288.204 1.491 0 50 CDAA CCOc1cc(N2CCC[C@H](c3ncc[nH]3)C2)ncn1 274578026 AWTCFJACTABLMR-NSHDSACASA-N 273.340 1.982 0 50 CDAA OCC#Cc1cnc(Cl)nc1NC1CCCC1 168460062 CHGKAGOTEWCHJL-UHFFFAOYSA-N 251.717 1.828 0 50 CDAA in-vitro CN(C[C@@H]1CCCCO1)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275586822 SAJBHBOJKFTQMQ-NEPJUHHUSA-N 293.367 1.555 0 50 CDAA CO[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cccn2)CC[C@@H]1C 187410325 RCKZZAGKVDXSSZ-HZSPNIEDSA-N 294.399 1.586 0 50 CDAA Cc1noc([C@H]2C[C@H](O)CN2c2ncccc2F)n1 407977686 UNFJFQJHENZDEK-WCBMZHEXSA-N 264.260 1.224 0 50 CDAA NC(=O)N1CCCN(C(=O)c2ccnc3ccccc23)CC1 408078481 HYQSJPXTRPWYFU-UHFFFAOYSA-N 298.346 1.461 0 50 CDAA CC(C)CS(=O)(=O)NC(=O)c1nn(C)c2c1CCCC2 408482552 IAMODQZEJBAKMY-UHFFFAOYSA-N 299.396 1.015 0 50 CDAA CCCN(C(=O)CCCC(=O)NC(C)C)C1CCNCC1 170678009 CEBLEXANUKQIAD-UHFFFAOYSA-N 297.443 1.672 0 50 CDAA CC(=O)c1cccc(CNC(=O)[C@H]2CCCOC2)c1 408518304 ZMQKTOVXHONIIS-AWEZNQCLSA-N 261.321 1.932 0 50 CDAA Cc1cc(NC(=O)[C@H]2CCN(C)C(=O)C2)ccc1F 171190468 HOUPEAVKLRFMFX-JTQLQIEISA-N 264.300 1.941 0 50 CDAA Cc1cc(CN2CCC(Nc3cccnn3)CC2)on1 171552581 MKGMWAGRNXEQIA-UHFFFAOYSA-N 273.340 1.850 0 50 CDAA O=C(NC[C@H]1C[C@H]1C(=O)O)c1ccncc1Cl 715310969 GHHYRAMNMLKGOA-HTRCEHHLSA-N 254.673 1.186 0 50 CDAA O=C(O)[C@@H]1CCN1S(=O)(=O)CCC1CCCCC1 571757883 NVNBBSNADHCEMS-NSHDSACASA-N 275.370 1.446 0 50 CDAA C[C@H](c1ccccc1F)N(C)C(=O)c1cc(N)nn1C 725130415 UIKSGZFBQBIOMH-SECBINFHSA-N 276.315 1.975 0 50 CDAA Cc1ccccc1-n1cc(CNC[C@@H]2CCC[C@@H]2O)nn1 673602929 OJIMJABBMVCYME-BBRMVZONSA-N 286.379 1.826 0 50 CDAA O=C(NCC[C@H]1CCCO1)NC[C@@H]1CCc2nccn2C1 583620991 CGEZMWHYXJJYEX-QWHCGFSZSA-N 292.383 1.314 0 50 CDAA CCCCCOCC(=O)N[C@@H]1COCCC1(OC)OC 585128024 PUPORQNSNZSFBH-GFCCVEGCSA-N 289.372 1.087 0 50 CDAA CN1CCN(c2ccc(-c3nccn3C)nn2)CC1(C)C 1506422758 USPBENYTAMTYJT-UHFFFAOYSA-N 286.383 1.408 0 50 CDAA O=C(O)C1CN(C2CCN(c3ccc(F)c(F)c3)CC2)C1 1506396891 MQCJBWQMCPCEJT-UHFFFAOYSA-N 296.317 1.950 0 50 CDAA Cc1nn(C)cc1NC(=O)c1nn(C)c2ccccc12 1453118905 JFSGFQBCLNPZLY-UHFFFAOYSA-N 269.308 1.868 0 50 CDAA OC[C@@]1(O)CCN(Cc2cc3ccccc3s2)C1 215574676 PIBZQBOXYFKAIK-CQSZACIVSA-N 263.362 1.830 0 50 CDAA C[C@@H](Cc1ccsc1)NC(=O)c1nc(Cl)n(C)n1 1857688018 PGDXNEXCUNNCCO-ZETCQYMHSA-N 284.772 1.891 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CCCNC2)C1(C)C 121685302 KOLFHEAYEQJMLV-UHIISALHSA-N 254.374 1.306 0 50 CDAA C[C@H](O)C1(NC(=O)Nc2cnn(C)c2C(F)F)CC1 666457309 FTIBVRWOGRQSKE-LURJTMIESA-N 274.271 1.393 0 50 CDAA O=C(NCCC1SCCS1)Nc1cnn[nH]1 1875301068 CELHYAAEZVVHEB-UHFFFAOYSA-N 259.360 1.122 0 50 CDAA Cc1ccc(NC(=O)[C@@H](C)N)cc1OCC(F)F 157634417 BVWIYGHUMONGFU-MRVPVSSYSA-N 258.268 1.925 0 50 CDAA Nc1cncc(N2CCN(Cc3cccs3)CC2)n1 1857671705 YFXOMTHVRRTHJQ-UHFFFAOYSA-N 275.381 1.443 0 50 CDAA O=C(c1ncc(F)cc1F)N1CCC[C@H]1C1(O)CC1 1775982249 NCRNLOIBMUAZSI-JTQLQIEISA-N 268.263 1.489 0 50 CDAA CN1CCN(CCCNC(=O)Nc2ccccc2)CC1 20727020 SOQPQMYCZVESKR-UHFFFAOYSA-N 276.384 1.446 0 50 CDAA CSCCNC(=O)[C@@H]1CCN(c2ccccc2)C1=O 11878633 IDAJLQMALACGLR-LBPRGKRZSA-N 278.377 1.519 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NC(C)C 13583143 LXIVZDSVOGSYSH-UHFFFAOYSA-N 284.381 1.384 0 50 CDAA Cc1nc(Cl)cc(N2CCC(C(=O)O)CC2)n1 14007727 VWJQDRLTIJHYMP-UHFFFAOYSA-N 255.705 1.739 0 50 CDAA Cc1cc(C)n(Cc2cc(C(=O)N3CCCO3)n[nH]2)n1 15072340 YYTBSFFDPHGPEA-UHFFFAOYSA-N 275.312 1.049 0 50 CDAA CC(C)(C)OC(=O)N1CCC(N2CCNCC2)CC1 19851050 XMGAKAOAPIZUJG-UHFFFAOYSA-N 269.389 1.291 0 50 CDAA COc1ccc2c(c1)N[C@@]1(O)c3ccccc3C(=O)[C@]21O 408864 ZCJFNNGFDOCUAI-HZPDHXFCSA-N 283.283 1.350 0 50 CDAA CC(=O)N(/C=C1\OC(=S)NC1=O)c1ccccc1 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COc1ncc(-c2ccc([C@H]3CNC(=O)C3)cc2)c(OC)n1 1875247782 OGIGBJLLHIPYCB-GFCCVEGCSA-N 299.330 1.764 0 50 CDAA O=C(CC1(O)CCCC1)N1CCc2ccc(O)cc2C1 225486195 QOPAQQAZIBYMDL-UHFFFAOYSA-N 275.348 1.972 0 50 CDAA Clc1cccnc1CN1CCO[C@@H](Cn2ccnn2)C1 639855724 PKCIXSQABROSRV-LLVKDONJSA-N 293.758 1.228 0 50 CDAA C[C@@H]1CN(C(=O)CNC2CC2)C[C@H](c2ccc(F)cc2)O1 237579893 RQIDDGQFWCGDHG-IAQYHMDHSA-N 292.354 1.866 0 50 CDAA NC(=O)[C@@H]1CCCC[C@H]1NCc1ncn(-c2ccccc2)n1 131078283 HWDNLMDTPAGSJG-ZIAGYGMSSA-N 299.378 1.401 0 50 CDAA CN=[S@@](C)(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 585091047 PZSCSJMSYRSIDF-BLVKFPJESA-N 282.365 1.891 0 50 CDAA C[C@H](CNC(=O)N=c1ccc(C2CC2)n[nH]1)CN(C)C 585119800 VAJOHHZIAXJDQS-SNVBAGLBSA-N 277.372 1.095 0 50 CDAA Cc1ncc(C(=O)N2CC[C@](F)(C(=O)O)C2)c(C(C)C)n1 263244065 FTJCBTBKXIGBSZ-CQSZACIVSA-N 295.314 1.547 0 50 CDAA CCn1cc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)cn1 1704311357 GJUNXYBXWWCMSB-HNNXBMFYSA-N 293.411 1.799 0 50 CDAA CN(C(=O)c1ccc(C(N)=O)cn1)C1(C(F)(F)F)CC1 906223877 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1.315 0 50 CDAA Cc1cccc([C@H](C)CNC(=O)NC[C@@H](C)O)c1 192502008 OGKXDTZHPBEGKN-VXGBXAGGSA-N 250.342 1.779 0 50 CDAA CCCN1CCCN(CCO[C@@H]2CCCCO2)CC1=O 193129347 AUACDHMSYNOXHN-OAHLLOKOSA-N 284.400 1.474 0 50 CDAA O=C(c1cc2ccccn2c1)N1CCOC[C@]12CCOC2 194374900 FHNCPYISOMZVRW-MRXNPFEDSA-N 286.331 1.571 0 50 CDAA O=C([C@@H]1CCOC1)N1CCCN(Cc2cncs2)CC1 980806146 KIZLSZWYGWSMPR-GFCCVEGCSA-N 295.408 1.214 0 50 CDAA COCC1CCN(C(=O)CCc2ccon2)CC1 668646039 OXSQIZFPLJTKTP-UHFFFAOYSA-N 252.314 1.492 0 50 CDAA CS(=O)(=O)c1ccc(C(=O)N2CCOCC23CC3)cc1 581376226 QLYAMMXHULXMII-UHFFFAOYSA-N 295.360 1.095 0 50 CDAA O=C(O)CCCC(=O)NCc1ccc2c(c1)OCCCO2 585090016 OCMHULPGSHVYAS-UHFFFAOYSA-N 293.319 1.719 0 50 CDAA CCc1ccccc1S(=O)(=O)N1Cc2cnn(C)c2C1 585115017 JDVFWYAILOCJEQ-UHFFFAOYSA-N 291.376 1.687 0 50 CDAA C=CC(=O)N1CC[C@@](NC(C)=O)(c2nc(C)cs2)C1 585124781 RRAGYZSIXBYJGW-ZDUSSCGKSA-N 279.365 1.201 0 50 CDAA CCCCCOCC(=O)N1CC[C@@H](N2CCC2)C1 585127927 MXPCXUXXMSHFGZ-CYBMUJFWSA-N 254.374 1.500 0 50 CDAA CCn1ncc(C(=O)NCCc2nc(C)cc(C)n2)c1C 1614401363 UVFUZYYEXQVCKJ-UHFFFAOYSA-N 287.367 1.591 0 50 CDAA O=C1N[C@@H](CC(F)F)C(=O)N[C@H]1Cc1ccc(F)cc1 1614625547 VRYYNAMJPWXWJH-UWVGGRQHSA-N 286.253 1.007 0 50 CDAA C1CCc2oc(CN[C@@]34CCC[C@@H]3NCC4)nc2C1 1615057084 DQTRPVHBNWJDCF-DZGCQCFKSA-N 261.369 1.928 0 50 CDAA CC(C)(C)CN(CC(=O)O)c1cncc(-n2cccn2)n1 1615571220 GXZHHLNDCIPQBT-UHFFFAOYSA-N 289.339 1.599 0 50 CDAA CC(C)c1nn(C)cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615555553 UXXYHJCFKVGUCE-HUUCEWRRSA-N 298.390 1.898 0 50 CDAA COC1CC(CCNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)C1 1615554162 RMLNGJGGIZECSH-PQGRTDHWSA-N 266.385 1.291 0 50 CDAA Cn1nncc1CNC(=O)c1ccc2c(c1)[C@@H](CN)CCC2 1615553057 GBGWUJCUEOSRIY-CYBMUJFWSA-N 299.378 1.124 0 50 CDAA CCOC1CN(C(=O)c2c[nH]c3cc(C)ccc3c2=O)C1 1615625973 BJCRSTKBQGBBCZ-UHFFFAOYSA-N 286.331 1.697 0 50 CDAA C[C@@H](NC(=O)OCC1CC1)[C@H](CCC(=O)O)C(=O)O 1616038664 IZBXWBVYSDRJLZ-APPZFPTMSA-N 273.285 1.077 0 50 CDAA CCCc1nnc(N[C@H]2CC=CC[C@@H]2C(N)=O)s1 1616064599 QZNDBNCUHGTCFT-IUCAKERBSA-N 266.370 1.723 0 50 CDAA COCC1(CNC(=O)[C@@H]2CC[C@H](N)C2)CCCC1 1565529640 BGZKPFHFONEFRS-NEPJUHHUSA-N 254.374 1.437 0 50 CDAA CC1=C(C(=O)N[C@H](CC(=O)O)c2ccccc2)OCCO1 1506424689 BLEHYUCRJSDYKM-GFCCVEGCSA-N 291.303 1.597 0 50 CDAA Cc1cnc([C@H](C)NC(=O)c2cnc3ccccn3c2=O)[nH]1 1506405989 PDHPYCJROBMHCF-JTQLQIEISA-N 297.318 1.217 0 50 CDAA Cc1nn(C)c2ncc(CN[C@@H]3CCN(C)C3)cc12 111235367 PAWYNKLBPNTGOQ-GFCCVEGCSA-N 259.357 1.070 0 50 CDAA CCCN1CCCC[C@@H]1C(=O)N1CC[C@H](CNC)C1 408523384 RGTXIGOLOJSJPJ-ZIAGYGMSSA-N 267.417 1.319 0 50 CDAA CC(C)CO[C@@H]1C[C@@H](NC[C@@]2(O)CCOC2)C1(C)C 222153776 FPBCOBZJHWOKAE-NFAWXSAZSA-N 271.401 1.567 0 50 CDAA COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)O 225391785 CZEHKRUNLXFVRU-ONGXEEELSA-N 254.286 1.082 0 50 CDAA COc1cc(NC(=O)/C=C/C(=O)O)cc(OC)c1 217003 MEOBTNFTCQWRMP-ONEGZZNKSA-N 251.238 1.283 0 50 CDAA CN1C[C@H](CN2CCc3ccc(O)cc3C2)CCC1=O 1775979701 ODJLQBSSYQJMQS-GFCCVEGCSA-N 274.364 1.619 0 50 CDAA O=C(/C=C1\SC(=O)NC1=O)Nc1ccccc1O 13648132 XLECWLMTQQLKME-YVMONPNESA-N 264.262 1.198 0 50 CDAA Cc1nnc(S[C@@H](C)C(=O)NC2=NCCS2)s1 13941854 UITQUGYGPZMEHJ-YFKPBYRVSA-N 288.423 1.546 0 50 CDAA CCOC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c1=O 14162994 PHIOYISOSOHDHM-AOOOYVTPSA-N 279.340 1.429 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1OC 16651267 WDTYBBQCVXQGPG-VIFPVBQESA-N 293.772 1.398 0 50 CDAA O=C(/C=C/c1ccccc1Cl)N[C@H]1CCS(=O)(=O)C1 2207718 GFPKHNPIANRRGN-QRGHLMKCSA-N 299.779 1.657 0 50 CDAA COP(=O)(OC)[C@@]1(O)C(=O)Nc2ccccc21 2939389 KQLBAOVWFGJPDM-SNVBAGLBSA-N 257.182 1.270 0 50 CDAA c1cc(-c2nccn2C[C@H]2CNCCO2)n2nccc2c1 1857731306 PESHHRNHQPOAPZ-CYBMUJFWSA-N 283.335 1.186 0 50 CDAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CNC1CC1 237546687 HWWHGRGAWUOLJX-LBPRGKRZSA-N 262.357 1.442 0 50 CDAA Cc1cnc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)nc1C 408171799 ODNUYGSSWWOIFV-BFHYXJOUSA-N 277.368 1.460 0 50 CDAA Cc1noc2ncc(C(=O)N3CC(F)(F)C[C@@H]3CO)cc12 366688786 OOSRFTSPIFCOIY-SECBINFHSA-N 297.261 1.373 0 50 CDAA Cn1nc(C(F)(F)F)cc1CN[C@H]1CCNC12CCC2 864054949 DYDJGMUWGMEPGX-JTQLQIEISA-N 288.317 1.813 0 50 CDAA CC[C@H](C)CN1CCC(O)(c2ncnn2C)CC1 952883471 XRWSDCAKJPGKRY-NSHDSACASA-N 252.362 1.145 0 50 CDAA CCOC1(C(=O)N=c2cc3n([nH]2)CCC3)CCCC1 1875274677 QSPKBQJRLWEPCK-UHFFFAOYSA-N 263.341 1.539 0 50 CDAA O=C1Cc2cc(OC[C@H]3C[N@@]3C3CCC3)ccc2CCN1 1875381453 VTCQVLCRGFMRQE-BEFAXECRSA-N 286.375 1.517 0 50 CDAA CC(C)=C(F)C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 1775958911 ZPFVTFOLDIPWOK-UTUOFQBUSA-N 271.332 1.638 0 50 CDAA CC(=O)NC(C)(C)c1noc(-c2ccc(O)cn2)n1 1775992881 OGGFKIFNOCSSGU-UHFFFAOYSA-N 262.269 1.208 0 50 CDAA CC[C@@H](C(=O)N(C)C[C@H](O)C1CC1)n1ccnc1 1776005332 CXVDXAZTFHHCMH-RYUDHWBXSA-N 251.330 1.064 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cccc2cn[nH]c12 237375131 GYTVBVIRLSANKK-MFKMUULPSA-N 272.352 1.905 0 50 CDAA Cc1nonc1CN1CC[C@H](C(=O)O)c2ccccc21 167288528 BZZUMHCMJLJWLF-NSHDSACASA-N 273.292 1.957 0 50 CDAA Cn1cc(C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)cn1 331539719 ANJCYEATOVWZDC-LLVKDONJSA-N 291.273 1.340 0 50 CDAA COCCC1CCN(C(=O)[C@@H]2CCCNCC2)CC1 534663383 SMNJLFFCXBLSTK-CQSZACIVSA-N 268.401 1.651 0 50 CDAA COc1ccc(CNC(=O)c2cn(C)nc2C)cc1OC 1428670 TUTTTWXACFEXCP-UHFFFAOYSA-N 289.335 1.676 0 50 CDAA CC1(C)C=C(C(=O)N2CCC(Cc3nn[nH]n3)CC2)C1 2325781164 RENZDPWVTWIRLU-UHFFFAOYSA-N 275.356 1.337 0 50 CDAA Cc1nc2c(s1)CCC[C@@H]2CNC(=O)[C@@H]1C[C@H]1CO 2325803196 WXWJZERKWNJUHC-OUAUKWLOSA-N 280.393 1.616 0 50 CDAA N=c1nc(N2CCCC2)cc(-c2ccc(CCN)cc2)[nH]1 2356137429 XPBPCUIQMFJHDI-UHFFFAOYSA-N 283.379 1.658 0 50 CDAA O=C(O)c1cc2c(cc1Br)OCCO2 4858647 DMPSJWYHZMDSPL-UHFFFAOYSA-N 259.055 1.919 0 50 CDAA CCOC(=O)C(=CNc1cc(C)ccn1)C(=O)OCC 100071518 YUYJTQOIHHNZBL-UHFFFAOYSA-N 278.308 1.812 0 50 CDAA CONC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 134885031 IBBFHHCYJPZAKO-SNVBAGLBSA-N 284.356 1.701 0 50 CDAA OC[C@@H](O)CNc1ccnc2ccc(Cl)cc12 133465476 UVTVASXXYCWLET-VIFPVBQESA-N 252.701 1.653 0 50 CDAA CCCc1nc(N)nc2c1C(=O)[C@@H](C(=O)OC)C(C)(C)C2 22341878 LLPWWMAEOKENOR-NSHDSACASA-N 291.351 1.566 0 50 CDAA CC(C)C1(CNC(=O)c2ccnc(S(C)(=O)=O)n2)CC1 342880836 FRYLNCSUPVRXMW-UHFFFAOYSA-N 297.380 1.046 0 50 CDAA CC(C)(C)c1cc(CNC(=O)[C@@]2(C)CCCO2)n[nH]1 20207567 NHYMDJYMHFTZEJ-CQSZACIVSA-N 265.357 1.893 0 50 CDAA Cc1nnc(N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)o1 343222201 JUUASOWCHLFZAT-RYUDHWBXSA-N 263.272 1.829 0 50 CDAA Cc1c(C(=O)N2CCCC2)cccc1N(C)S(C)(=O)=O 67601778 XTXAJCMZWGLJSU-UHFFFAOYSA-N 296.392 1.627 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(CCCC2CCOCC2)C1 344081134 CMSOJTIISCGIHQ-UONOGXRCSA-N 257.374 1.275 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nccnc2c1 170622805 NUWLDRYUCZGXSH-FCIDVOKBSA-N 291.310 1.941 0 50 CDAA CC[C@@H](O)CNc1cc(C2CCNCC2)nc(C)n1 67724064 XRIZIEQWPZYWOT-GFCCVEGCSA-N 264.373 1.435 0 50 CDAA CCOc1cccc(C(=O)N2C[C@@H](OC)C[C@H]2COC)c1 344803765 DCYSKSRBKHBCDZ-ZFWWWQNUSA-N 293.363 1.961 0 50 CDAA Cc1cccc([C@H](C(=O)N2CCc3[nH]cnc3C2)N(C)C)c1 65435188 LMITUYIPTJEJNB-MRXNPFEDSA-N 298.390 1.906 0 50 CDAA CC(C)[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)O 36370086 HJZVYBCKGQLUIT-AWEZNQCLSA-N 274.320 1.867 0 50 CDAA biogenic CCc1nc(CNC(=O)N2CC[C@H](CO)C2)cs1 304283792 KOKHGLPCQWTPMQ-VIFPVBQESA-N 269.370 1.229 0 50 CDAA Cc1ocnc1C(=O)N1CCC[C@H](CCC(=O)O)C1 237687729 GNVJPCKZLDKBJJ-SNVBAGLBSA-N 266.297 1.700 0 50 CDAA CN(C)C[C@H]1CCCCN1C(=O)c1cnn2ncccc12 170596530 BRRYEQNGHUWUKC-GFCCVEGCSA-N 287.367 1.286 0 50 CDAA Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@H](O)C2)c1 229106398 HNZDHDXQVMWVQW-HUUCEWRRSA-N 279.380 1.500 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)CCn2cc(C)cn2)C1 67111599 QSRZHTDJWVLCKO-CQSZACIVSA-N 279.384 1.999 0 50 CDAA O=C(c1csnn1)N1CCCC[C@@H]1c1ncon1 329471166 YTUCBTLOWTVNKC-MRVPVSSYSA-N 265.298 1.289 0 50 CDAA O=C(O)[C@H]1CS[C@@H](c2c(F)cc(F)cc2F)N1 53723 UHKSPZGOKXICPS-APPZFPTMSA-N 263.240 1.892 0 50 CDAA C[C@@H](NC(=O)Nc1ccccn1)c1nnnn1C1CC1 252499022 RTVYKQQULBNIET-MRVPVSSYSA-N 273.300 1.286 0 50 CDAA Cc1cccnc1NC(=O)C1(n2cnnn2)CCCCC1 36353755 VCKGYLPGCHSPQQ-UHFFFAOYSA-N 286.339 1.675 0 50 CDAA Cc1nn(C)c2ncc(CNc3cnccn3)cc12 170612164 DXXYWAMTNCNDIO-UHFFFAOYSA-N 254.297 1.679 0 50 CDAA CCNC(=O)CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 121093753 UBPCCKOCZSRGQK-BXUZGUMPSA-N 298.333 1.599 0 50 CDAA CC(C)[C@H]1CN(Cc2ncc[nH]2)CCC(=O)N1CC1CC1 71711888 OHQRTXXIQLCYMT-CQSZACIVSA-N 290.411 1.879 0 50 CDAA Cc1cnc([C@H](C)N2CCC[C@@H](c3cc[nH]c(=N)n3)C2)cn1 330239646 BDUYGIOBMVSBCT-QWHCGFSZSA-N 298.394 1.928 0 50 CDAA NC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cn1 122519769 NRNBAYAHALUZDG-CQSZACIVSA-N 296.330 1.553 0 50 CDAA C[C@]1(NCC(=O)O)CCN(C(=O)C2CCCCCC2)C1 328634731 MYTAETAABZKHHI-HNNXBMFYSA-N 282.384 1.622 0 50 CDAA C[C@@H]1C(=O)N(C)S(=O)(=O)N1Cc1ccccc1Cl 253400416 GWCZCFGXTMQIIY-MRVPVSSYSA-N 288.756 1.247 0 50 CDAA NC1(CC(=O)N(C[C@@H]2CCCN2)C2CC2)CCC1 328654107 XENGGESEGWCNAH-NSHDSACASA-N 251.374 1.001 0 50 CDAA CCn1ccnc1[C@@H]1CCCCN1Cc1cn(C)nn1 328867730 XEGWKVWFJORGKX-ZDUSSCGKSA-N 274.372 1.759 0 50 CDAA C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)CCN1 155115268 OCFKJKLHEWMMOJ-GXTWGEPZSA-N 261.369 1.110 0 50 CDAA O=C(CCOCc1ccccc1)N=c1cc[nH]cc1O 358347155 DLIIOLJMALNNRW-UHFFFAOYSA-N 272.304 1.755 0 50 CDAA CCn1c(C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 358736000 FISFXXBFAXKPCQ-LBPRGKRZSA-N 293.415 1.296 0 50 CDAA O=C(NCCn1c(S)nnc1C1CC1)[C@@H]1C[C@@H]1C1CC1 170655905 AGEAISFCIKCQLN-GHMZBOCLSA-N 292.408 1.607 0 50 CDAA CCC[C@@H](Nc1ncnc2c1c(C)nn2C)C(=O)OC 72457393 ZTLCZGXFBBSADG-SECBINFHSA-N 277.328 1.425 0 50 CDAA Cc1csc2c(N3CC[C@H](CO)[C@@H](O)C3)ncnc12 72162278 SOFFYJRYRRWDCU-ZJUUUORDSA-N 279.365 1.179 0 50 CDAA Cc1cc2n[nH]cc2cc1NC(=O)c1nccnc1C(N)=O 360417932 VZSDODMOHJLZTC-UHFFFAOYSA-N 296.290 1.013 0 50 CDAA Cc1csc2ncn(C[C@H]3CCS(=O)(=O)C3)c(=O)c12 32587074 IKPAMJPQZLHWBE-SECBINFHSA-N 298.389 1.201 0 50 CDAA CC(C)(C)OC(=O)NCCc1nccc(C(=O)O)n1 258512718 LNPMIUCYYDSOOE-UHFFFAOYSA-N 267.285 1.242 0 50 CDAA CC(C)(C)c1cc(C(=O)N2CC[C@H](C(=O)O)C2)[nH]n1 236774569 NEBHRLLLGPFPBX-QMMMGPOBSA-N 265.313 1.254 0 50 CDAA O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)N1CC[C@@H](n2cccn2)C1 333315541 AALMXQRLJGCIGU-YVECIDJPSA-N 260.341 1.638 0 50 CDAA COCc1noc([C@@H](C)N2CCc3ncccc3C2)n1 368635034 QPLYPVHAHWPUAU-SNVBAGLBSA-N 274.324 1.730 0 50 CDAA C[C@@H]1CC(=O)NCCN1C(=O)c1ccoc1C1CC1 369055118 OAMXIQACJZQVMJ-SECBINFHSA-N 262.309 1.508 0 50 CDAA C=CC(=O)NCCC(=O)N1C[C@@H]2CCCN2c2ccccc21 490624068 NWITXRHNHYBPEY-ZDUSSCGKSA-N 299.374 1.694 0 50 CDAA O=C(Cc1noc([C@@H]2C[C@]23CCNC3)n1)Nc1ccccc1 261814389 SYPNQUXXXUCEEZ-LRDDRELGSA-N 298.346 1.718 0 50 CDAA Cc1c[nH]cc1C(=O)N1CC[S@](=O)C[C@H](C)C1 334865076 ONZAWLNULQRLLQ-XLFHBGCDSA-N 254.355 1.164 0 50 CDAA N[C@H](C(=O)N1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 238006999 NSFLNLXBHCDOCR-CVEARBPZSA-N 297.358 1.761 0 50 CDAA CN1C[C@@H](C(=O)N2CC3CC2(C(F)(F)F)C3)CC1=O 335175714 OAXLOBKTIUZWFF-KAIZJQOQSA-N 276.258 1.018 0 50 CDAA CCOC(OCC)[C@@H](NC(=O)Cc1ccccc1)C(=O)O 44122974 IVLIGAKJLROXIX-ZDUSSCGKSA-N 295.335 1.198 0 50 CDAA CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](c1ccncc1)C(C)C 339346001 JSWZJSWBBFXRSB-OCCSQVGLSA-N 291.395 1.804 0 50 CDAA C[C@@]1(C(=O)NCCSC(F)(F)F)CCCNC1 227419576 FJWPURBQLGJOAF-SECBINFHSA-N 270.320 1.745 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)[C@H](C)N1CCCCC1 426511559 DSVJDOGBGVKJTC-AWEZNQCLSA-N 290.411 1.214 0 50 CDAA CC(=O)c1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)s1 82114497 NNVBYEZLOCPQOE-IUCAKERBSA-N 270.329 1.381 0 50 CDAA COCCC[C@@H]1CCCN(C(=O)CCc2n[nH]c(C)n2)C1 82161171 SCACIOANCCKWNO-ZDUSSCGKSA-N 294.399 1.711 0 50 CDAA Cc1[nH]nc(C(=O)N2CCc3n[nH]c(C)c3C2)c1Cl 426711544 ZYACFZKJOGFCLK-UHFFFAOYSA-N 279.731 1.602 0 50 CDAA COCCCN1CCC2(CC1)Nc1ccccc1NC2=O 82121923 MEHSSCWRAQDRCG-UHFFFAOYSA-N 289.379 1.922 0 50 CDAA CC[C@@H](NC(=O)c1cccc(F)c1O)C1CC(O)C1 222863303 UQBYCLQEKSMTSU-SHVIVCPWSA-N 267.300 1.811 0 50 CDAA CCN1CCC(Cc2nc(CCOC)no2)CC1 96138309 ZPUBQPMYMBSVTE-UHFFFAOYSA-N 253.346 1.533 0 50 CDAA NC(=O)c1cn(CC(=O)NC2CC2)c2ccccc12 614312428 GJODWTHRBOKNEI-UHFFFAOYSA-N 257.293 1.019 0 50 CDAA C[C@@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)O 334161406 BIRQKAVBTGZGQL-SNVBAGLBSA-N 291.347 1.922 0 50 CDAA C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)C(=O)O 237451048 USLADTBNOYIVCE-KCJUWKMLSA-N 265.334 1.606 0 50 CDAA Cn1cccc1C(=O)C(=O)NC[C@H]1COc2ccccc2C1 91486620 JNRQQOYWXJCCHQ-LBPRGKRZSA-N 298.342 1.575 0 50 CDAA O=C(NCCn1cccn1)[C@H]1COc2ccccc2C1 95521154 GPEFQHGNJOKMFQ-CYBMUJFWSA-N 271.320 1.251 0 50 CDAA CCOCc1nc(CCSC)nn1C1CCN(C)CC1 96138653 WMTAIRQBZQIVCY-UHFFFAOYSA-N 298.456 1.987 0 50 CDAA CSCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95511497 ZPKSUZSSKUVTJU-IUODEOHRSA-N 293.388 1.347 0 50 CDAA C[C@H](NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccncc1 239125131 JYUHZEVRAUKQCN-DDNRWTCHSA-N 286.331 1.782 0 50 CDAA Cc1oc(=O)n(C[C@@H]2COc3ccccc3O2)c1C 95377043 IENSUXSISBDVPF-LLVKDONJSA-N 261.277 1.898 0 50 CDAA CO[C@@H]1C[C@@H](O)[C@H](COC(=O)c2ccccc2C)O1 95495836 HVQZNFUZXQIVDP-AGIUHOORSA-N 266.293 1.274 0 50 CDAA Cn1nccc1[C@@H]1CCC[C@H](NC[C@@H](O)[C@@H]2CCCO2)C1 527955058 MBRYMOCXHBKDQA-CLWVCHIJSA-N 293.411 1.576 0 50 CDAA COCCCNC(=O)CN1CCS[C@H]2CCCC[C@@H]21 176928464 VWAYERBHOGOFSH-STQMWFEESA-N 286.441 1.499 0 50 CDAA C[C@]1(O)CCN(C(=O)c2ccc3c(c2)CCCC3)C[C@@H]1O 96159886 HGBABVJWBXNDJG-RDJZCZTQSA-N 289.375 1.523 0 50 CDAA Cc1nc(CN2C[C@@H](Cc3ccccc3)CC2=O)no1 95527674 LYWZBQVRILPJLW-ZDUSSCGKSA-N 271.320 1.969 0 50 CDAA N=c1[nH]cnc2cc(C(=O)N[C@H]3CCCC[C@H]3O)ccc12 612656527 ZTIKJQMQIPQWJT-WCQYABFASA-N 286.335 1.076 0 50 CDAA Cc1cnn([C@@H]2CCN(C(=O)c3cccn3C)C2)c1 290792255 SYNKTCJUQACHRA-GFCCVEGCSA-N 258.325 1.617 0 50 CDAA O=C([C@@H]1CNCCO1)N1CCC[C@@H]1Cc1cccc(F)c1 178432202 PBRHLMGNCQBTSJ-CABCVRRESA-N 292.354 1.348 0 50 CDAA CNC(=O)[C@H]1CCCCN1CCCc1cccnc1 243893659 ATAZIMHVSZQALD-CQSZACIVSA-N 261.369 1.615 0 50 CDAA COC(=O)c1cn([C@@H](C(=O)O)C(C)C)cc2c(O)nnc1-2 524731299 RYEUBKKKEOQFGP-SNVBAGLBSA-N 293.279 1.157 0 50 CDAA biogenic CCc1noc2ncc(C(=O)N3CC[C@@H](CNC)C3)cc12 178966579 NUKBOCHCRKFVFO-JTQLQIEISA-N 288.351 1.467 0 50 CDAA O=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCNC1=O 616973332 VQGCTJFKUWXXHN-RRHJKOLHSA-N 276.380 1.598 0 50 CDAA CN(CC(=O)NCC[C@@H]1CCOC1)Cc1ccccc1F 252500769 TVEDMTCQOSUTEE-CYBMUJFWSA-N 294.370 1.800 0 50 CDAA CCC[C@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCO1 182850730 VQVKFKIGNXCKNL-KBPBESRZSA-N 262.353 1.714 0 50 CDAA CCn1cnnc1C1CCN(C(=O)C2CC(C)(O)C2)CC1 622357401 ADKQOPXFINWDLZ-UHFFFAOYSA-N 292.383 1.165 0 50 CDAA CC(C)[C@@H]1C=CCN1Cc1cnc(N(C)CC(=O)O)nc1 534647284 KFIZPHZYJUXYSS-ZDUSSCGKSA-N 290.367 1.394 0 50 CDAA CC/C=C/CCN1C[C@@H](O)[C@H](Oc2cnn(CC)c2)C1 625616970 OHXXBBBUYDCISX-XEVLESSRSA-N 279.384 1.683 0 50 CDAA CC1(C)C[C@H]1C(=O)NCc1nc(C(F)(F)F)n[nH]1 360993985 AWSKHYBWIHWZKS-YFKPBYRVSA-N 262.235 1.486 0 50 CDAA NC1(CNC(=O)NC2CCCCC2)CCOCC1 626917326 XOZUOIIPKXSJDV-UHFFFAOYSA-N 255.362 1.126 0 50 CDAA Cc1nnc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)s1 299792850 GCNRPXGRLXFIMK-JTQLQIEISA-N 282.413 1.535 0 50 CDAA O=C(O)[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CCO1 563284260 UTUBZKLITACZLJ-AWEZNQCLSA-N 287.319 1.158 0 50 CDAA CCO[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 299742273 AXNRHZNKBBERNN-WYUUTHIRSA-N 269.341 1.656 0 50 CDAA CN(C)C(=O)c1cccc(NC[C@]2(C)CCCO2)n1 823639142 IHSJOSGZPNYWAW-AWEZNQCLSA-N 263.341 1.764 0 50 CDAA Cc1cc(C)n(CCN(C)c2nnc(C)s2)n1 825296811 XAILHKIHYDHNIZ-UHFFFAOYSA-N 251.359 1.796 0 50 CDAA CN(Cc1cnn(C)c1)C(=O)[C@H]1CC(=O)OC12CCCC2 828244550 MSBSBWBWXYIUJO-GFCCVEGCSA-N 291.351 1.254 0 50 CDAA CCC1=NO[C@H](Cn2cnc3cccc(OC)c3c2=O)C1 584896069 XRZCTSSYXJWMDZ-NSHDSACASA-N 287.319 1.960 0 50 CDAA CSCCN1CCN(C(=O)c2cncc(C)c2)CC1 584888168 YHAQVTDLNFXRPG-UHFFFAOYSA-N 279.409 1.511 0 50 CDAA CCN1C[C@@H](Cn2cnc3cccc(F)c3c2=O)CC1=O 584891845 AHXFFPMHSZUPTH-JTQLQIEISA-N 289.310 1.404 0 50 CDAA NC(=O)Cc1nc(C2(N3CCCCC3)CCCCC2)n[nH]1 670457305 SWSPOUXXBALAKI-UHFFFAOYSA-N 291.399 1.478 0 50 CDAA COc1ncc(CN[C@@H]2CCCN(C(=O)C(C)C)C2)cn1 952985390 ACGALAWKEJOXJI-CYBMUJFWSA-N 292.383 1.222 0 50 CDAA CCN1C[C@@H](NC(=O)[C@H]2CSCCS2)C(C)(C)C1 1363662580 QBCWZULEUOINSL-GHMZBOCLSA-N 288.482 1.682 0 50 CDAA COc1ccccc1CCNC(=O)C1=C(C)OCCO1 952962268 CWMLQVUMTRZJDO-UHFFFAOYSA-N 277.320 1.632 0 50 CDAA O[C@H](CN1CCC[C@H]2CCCC[C@H]21)Cn1cccn1 242167639 WYEWAMXNQLJOHG-RBSFLKMASA-N 263.385 1.899 0 50 CDAA Nc1n[nH]c2ncc(I)cc12 95093392 BYEUNDASYOFKIW-UHFFFAOYSA-N 260.038 1.145 0 50 CDAA in-vitro O=S1(=O)CCCN1c1cccc(CN[C@H]2CCOC2)c1 185090330 NJRHAAYTXKMAIF-ZDUSSCGKSA-N 296.392 1.105 0 50 CDAA O=C(c1snc(O)c1Cl)N1CCO[C@@H](CCF)C1 629016025 RPJWJKWYPBZIQK-LURJTMIESA-N 294.735 1.703 0 50 CDAA CC[C@H](N[C@H](C)C1CCCC1)C(=O)N1CCOCC1 165172241 OXUDBHJOTLWNNF-OCCSQVGLSA-N 268.401 1.792 0 50 CDAA CC(C)Oc1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)ccn1 408094273 RTUUDBJGQYSUMV-DGCLKSJQSA-N 278.352 1.712 0 50 CDAA CCOC1CC(O)(CNC(=O)[C@@H]2CCCO[C@H]2CC)C1 408474559 DXNUSAFOLYQRKF-ICRTXTNUSA-N 285.384 1.238 0 50 CDAA CCOC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 408517904 OOVDAYPLLGRWBJ-QWHCGFSZSA-N 254.374 1.213 0 50 CDAA Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c(C)o1 408504213 UOZVVIRHTUHVCU-SDDRHHMPSA-N 295.360 1.914 0 50 CDAA CC(=O)c1cccc(CNC(=O)[C@H]2CCCCC(=O)N2)c1 408522297 HCTBPXIARXMGSX-CQSZACIVSA-N 288.347 1.564 0 50 CDAA O=C(NC[C@@H]1CCCCN1CCO)c1ccnc(Cl)c1 408519909 PIHXCHRWCCTUAB-LBPRGKRZSA-N 297.786 1.312 0 50 CDAA CCc1ccc2occ(C(=O)N[C@@H](CO)CN(C)C)c2c1 408517885 ZOPSMALUDXHASG-GFCCVEGCSA-N 290.363 1.648 0 50 CDAA CN(C)C1CN(c2ncc(C(F)(F)F)s2)C1 276818502 TUOZALYVRZSSRB-UHFFFAOYSA-N 251.277 1.912 0 50 CDAA Cc1cccc(S(=O)(=O)N[C@H](CO)C(C)(C)C)c1F 190129131 QVDZHABPDBAMIH-LLVKDONJSA-N 289.372 1.819 0 50 CDAA COCC1(C(=O)O)CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 668284184 FICPUFZBZCYXBY-NWDGAFQWSA-N 299.367 1.141 0 50 CDAA Cc1ccc(C(=O)NCc2ncn(C)n2)c(Cl)c1 192385067 ORKJLOJUGYHGQR-UHFFFAOYSA-N 264.716 1.707 0 50 CDAA C[C@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H](C2CC2)O1 648376682 NQYMYPKKNPNDHW-BLLLJJGKSA-N 299.374 1.903 0 50 CDAA CC(=O)Nc1nc(Cn2nnc(C3CC3)n2)cs1 193607409 NWYXNDWOZDJZJE-UHFFFAOYSA-N 264.314 1.014 0 50 CDAA O=C(NCCc1ccccn1)[C@H]1CCCN1c1ncccn1 584907265 ORDDYLOISLNSIT-CQSZACIVSA-N 297.362 1.199 0 50 CDAA CON(C)C(=O)CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 585087407 OJRDUFZOBYSSNM-MNOVXSKESA-N 270.373 1.585 0 50 CDAA CCCN(Cc1cnn(C)c1)Cc1ncccc1O 585084385 UJZWVAYBYACZAY-UHFFFAOYSA-N 260.341 1.933 0 50 CDAA OCc1ccnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)c1 585132929 HPDHNHOHDQYOIA-INIZCTEOSA-N 288.322 1.811 0 50 CDAA C[C@@H](CC(=O)N[C@H]1CCNC1=O)Cc1cccc(F)c1 585113013 VMHRHCZKVBUGDR-MFKMUULPSA-N 278.327 1.399 0 50 CDAA CC[C@H]1CN2CCC[C@H]2CN1CCCN1CCOCC1 245442411 WGQBRMVSMXMOIC-HOTGVXAUSA-N 281.444 1.267 0 50 CDAA Nc1ccnn1CC(=O)Nc1cccc(-c2cn[nH]c2)c1 1603163551 UEVGOYKQOLCKIZ-UHFFFAOYSA-N 282.307 1.494 0 50 CDAA Cc1cc(C)n(C2CN(CCn3cc(Cl)cn3)C2)n1 1506430132 XNWWDGPWPJMTAI-UHFFFAOYSA-N 279.775 1.907 0 50 CDAA C/C=C/C[C@@H](CO)NC1CCN([C@H]2CCOC2)CC1 1615055977 WRSPHRZEUDJINT-TZARZLCXSA-N 268.401 1.156 0 50 CDAA C[C@H](CN(C)CCO)NC1CC(C)(C)NC(C)(C)C1 1506428244 YOUWQRQYCJJPOD-GFCCVEGCSA-N 271.449 1.198 0 50 CDAA OC[C@H]1OCCN(Cc2ncc[nH]2)[C@@H]1c1ccccc1 1529195259 HNKCPFBUAMHLHZ-UKRRQHHQSA-N 273.336 1.344 0 50 CDAA C1CC2(CCN1)C[C@@H](NC1CSCCSC1)CO2 1529179509 BQYAXVBTYVXKRN-LLVKDONJSA-N 288.482 1.336 0 50 CDAA Cc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)s1 1704349726 VGMOOKFSWUEKHA-MNOVXSKESA-N 266.366 1.003 0 50 CDAA CC1(F)CCN(C(=O)[C@H]2C[C@H]3C[C@@H](N)[C@H]3C2)CC1 1857527861 LQZZAZJWXSIRLT-FIQHERPVSA-N 254.349 1.710 0 50 CDAA C[C@H](c1ncnn1C)n1ccnc1-c1cnsc1 1875250577 NLFYGTYVWMZVHS-MRVPVSSYSA-N 260.326 1.744 0 50 CDAA N[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)[nH]n2)C1 211421160 HOUHNWYVGIGPQS-WDSKDSINSA-N 262.235 1.038 0 50 CDAA Cc1cc(C(=O)NCc2nccc(N)n2)sc1C 120481806 DINHQPNAPGOIFL-UHFFFAOYSA-N 262.338 1.667 0 50 CDAA CC(C)n1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)n1 334281440 XHXVENUOEKEBIV-UWVGGRQHSA-N 255.293 1.009 0 50 CDAA Cc1nc([C@@H]2CCCN(c3ncnc4cc[nH]c34)C2)n[nH]1 1772807105 IXACQPSLENTHEF-SNVBAGLBSA-N 283.339 1.768 0 50 CDAA COC(=O)Cn1nc(-c2ccccc2OC)ccc1=O 5396820 AKDVQRWUHCRGDM-UHFFFAOYSA-N 274.276 1.092 0 50 CDAA Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 5068320 QGAFLQXQAIYZJQ-CYBMUJFWSA-N 284.315 1.839 0 50 CDAA O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCCCCCC1 12714254 XZZZXSUJMDLFTJ-ZDUSSCGKSA-N 292.383 1.863 0 50 CDAA COc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1OC 16662907 GFIMNBNCNRKENT-GFCCVEGCSA-N 278.352 1.401 0 50 CDAA CCCCOc1ccc(CN2CCN(CCO)CC2)cc1 19633502 AQVNCDSEGURSFW-UHFFFAOYSA-N 292.423 1.975 0 50 CDAA CC(=O)c1cccc(NC(=O)C(=O)NCc2cccnc2)c1 4865780 DNZOUIWDSVKPJG-UHFFFAOYSA-N 297.314 1.539 0 50 CDAA CC(=O)NCC(=O)c1ccc(Br)cc1 4948630 JTPUMOTVNAEGQR-UHFFFAOYSA-N 256.099 1.768 0 50 CDAA CCOC(=O)c1[nH]c2c(c1C)C(=O)[C@H](C(=O)OC)[C@H](C)C2 4488762 RUXJOQQVHXHGLJ-GMSGAONNSA-N 293.319 1.664 0 50 CDAA CC=CC[C@H](CO)NC(=O)c1c[nH]nc1C1CCOCC1 1857532653 IMMALAPVYBQNCV-GFCCVEGCSA-N 293.367 1.361 0 50 CDAA O=C(NCc1cc(C2CC2)on1)[C@@H]1CCn2nccc2C1 1857717310 QUGVSRUJDHRKSH-LLVKDONJSA-N 286.335 1.627 0 50 CDAA Cc1ncc(CNC(=O)c2cccc(C)c2F)c(=N)[nH]1 622596691 FEAUCJWXRFNYLV-UHFFFAOYSA-N 274.299 1.575 0 50 CDAA COC(=O)[C@H](CCCCN)NC(=O)c1ccccc1 1640065 RNFLYGMDYGDLQG-LBPRGKRZSA-N 264.325 1.087 0 50 CDAA in-vitro CCc1oc(C(=O)N2CC[C@@H](OC)C[C@@H]2CN)cc1C 225570911 OGQNZFRNVKGJOK-VXGBXAGGSA-N 280.368 1.729 0 50 CDAA CCOC(=O)C[C@H]1NCCC[C@H]1NC(=O)OC(C)(C)C 4203236 JWIFFLUEVLMGJF-GHMZBOCLSA-N 286.372 1.585 0 50 CDAA in-vitro CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@@H]1COCCO1)C2 229266965 CFMXOGVGNIGCEW-ASHKBJFXSA-N 267.369 1.733 0 50 CDAA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccccc1 4821262 XVZVHBKIVGUKRA-GIVNFFOOSA-N 257.289 1.823 0 50 CDAA C[C@H]1CCN(c2cc(N[C@@H]3CCCOC3)ncn2)C1 328646141 SKGPUVFIBNXMAK-NWDGAFQWSA-N 262.357 1.914 0 50 CDAA CC(=O)NCC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 241846655 SMPNCPAIRLJZSM-OCCSQVGLSA-N 278.327 1.714 0 50 CDAA CNC1CCN(C(=O)c2cnc(O)c3ccccc23)CC1 564941218 IPIGVVQYXSMXAE-UHFFFAOYSA-N 285.347 1.764 0 50 CDAA C[C@](O)(CN1CC[C@@H](c2c(F)cccc2F)C1)C(=O)O 577957839 JZYCTNLMNDNQPW-OTYXRUKQSA-N 285.290 1.590 0 50 CDAA Cc1cc(N2CCC(c3nc(=N)[nH][nH]3)CC2)nc(C)n1 585092844 QDJQSTZRVUKOFJ-UHFFFAOYSA-N 273.344 1.008 0 50 CDAA COC[C@H]1COCCN1Cc1c(Cl)cccc1C(=O)O 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COc1cccc(CNCCCN(C)C)c1OC 57234775 JUTCZTNZSSFDGQ-UHFFFAOYSA-N 252.358 1.745 0 50 CDAA CC(C)(C)OC(=O)N[C@H](C=O)CC1CCOCC1 114944615 XWBNKEIPCHGFMT-NSHDSACASA-N 257.330 1.895 0 50 CDAA CCN(CC)C(=O)Cn1cc(-c2ccccc2)ncc1=O 328593797 KEISZZBTMXCRLH-UHFFFAOYSA-N 285.347 1.779 0 50 CDAA CCCc1cc(CNC(=O)Cc2cc(C)no2)on1 67833419 CCYIUNHABKCMDD-UHFFFAOYSA-N 263.297 1.782 0 50 CDAA CO[C@H](C)CS(=O)(=O)N1CCCC[C@H]1c1ncc[nH]1 249615785 SSIBXPLEBDNUSA-MNOVXSKESA-N 287.385 1.301 0 50 CDAA CCCN1CCC(CC(=O)NCc2cnc(C)cn2)CC1 65404089 ZLQILFRIKVJTHH-UHFFFAOYSA-N 290.411 1.913 0 50 CDAA CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@@H](O)C2)c1C 229843032 HDDVDKDRARWXKP-WCQYABFASA-N 292.379 1.862 0 50 CDAA CC[C@@H](C(=O)O)N1CC[C@@H](CNc2cccc(C)n2)C1 248963038 NELRWQPZGWPYAU-STQMWFEESA-N 277.368 1.987 0 50 CDAA c1ccc2c(c1)CC[C@@H](c1noc(C[C@@H]3CNCCO3)n1)C2 317747702 RJXDRXMXMBDYJV-HUUCEWRRSA-N 299.374 1.873 0 50 CDAA CN1[C@H]2CC[C@@H]1CN(C(=O)NC1CCCC1)CC2 67643091 AQXHMINPOSNYSI-QWHCGFSZSA-N 251.374 1.807 0 50 CDAA CCn1nc(C)c(C(=O)N[C@@H]2CC[C@@H](N)C2)c1C 67806006 IXMSVYHZXVVNOK-GHMZBOCLSA-N 250.346 1.129 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N[C@]1(C)CCO[C@H]1C 330816562 DLFNAOYWLJJSTR-SWLSCSKDSA-N 279.384 1.653 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N[C@@]1(C)CCO[C@H]1C 330816563 DLFNAOYWLJJSTR-WFASDCNBSA-N 279.384 1.653 0 50 CDAA CC1(C)C[C@@H](NC(=O)C2(S(C)(=O)=O)CC2)C(C)(C)O1 331517846 QQJPTIJVXMLYHJ-SECBINFHSA-N 289.397 1.026 0 50 CDAA c1ncc(Cc2nc(-c3ccc4c(c3)OCO4)no2)cn1 350429965 YQQDONWJASNYLB-UHFFFAOYSA-N 282.259 1.846 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)/C=C\C(=O)O)cc1 32136165 ONQKZWNYKPAQNX-FPLPWBNLSA-N 262.265 1.249 0 50 CDAA CCc1cncc(C(=O)N2C[C@@H](OC)C[C@H]2COC)c1 284711131 YULFZRANGKRUOL-KBPBESRZSA-N 278.352 1.520 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCCC[C@H]3CN)c2c1 237863360 VPAGXMOGGMOUIG-NSHDSACASA-N 272.352 1.825 0 50 CDAA C[C@H]1CCN(S(=O)(=O)c2cccc(N)c2)CC1(F)F 334482167 XNYMAWSGOJBWSD-VIFPVBQESA-N 290.335 1.935 0 50 CDAA C[C@@H]1CN(C(=O)Nc2ccccn2)C[C@]2(CCCOC2)O1 253429164 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CC[C@H](C(=O)NC(C)(C)C)n1c(C)c(C)oc1=O 95369852 OIVVHQIMEODOGR-SNVBAGLBSA-N 254.330 1.924 0 50 CDAA COCC[C@]1(CO)CCCN(C(=O)c2csc(C)n2)C1 91829087 YUCRKFIAPVOFGL-CQSZACIVSA-N 298.408 1.703 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@](C)(C(=O)O)C1 237033697 CFWRYBODBVIKHO-INIZCTEOSA-N 291.347 1.951 0 50 CDAA Cc1cc(C(F)(F)F)cc(=O)n1CCCn1cnnn1 95370102 ZUXPBEZIQMZTAW-UHFFFAOYSA-N 287.245 1.252 0 50 CDAA CN1CCC[C@H](CCC(=O)NCCc2cnccn2)C1 95371198 MWFSXNZWNTUUFR-CYBMUJFWSA-N 276.384 1.257 0 50 CDAA COC(=O)[C@H](CC(C)C)N(C)C(=O)c1nc(C)oc1C 294761533 XARANPMTEHABFT-NSHDSACASA-N 282.340 1.951 0 50 CDAA CNC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CCCC1 267510562 ZAHGUILRKQPZHA-UHFFFAOYSA-N 281.377 1.828 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 237003689 XXMLJLGVMBYGFU-YDHLFZDLSA-N 292.427 1.575 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C(=O)O)N1CCSCC1 95368248 GGQHJKFASPZMFG-SNVBAGLBSA-N 255.343 1.201 0 50 CDAA CCCc1nnc(N2CCC[C@@](O)(CN(C)C)CC2)o1 95367225 WVOPILKFDGCXKD-AWEZNQCLSA-N 282.388 1.305 0 50 CDAA 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Cc1cc(CNC(=O)CN2CCCCC2=O)ccn1 452428288 SZICZIOWQPYNQH-UHFFFAOYSA-N 261.325 1.019 0 50 CDAA Cc1cnccc1C(=O)N1CCN(CC(F)(F)F)CC1 274600083 NPZNDXPRRZBHPE-UHFFFAOYSA-N 287.285 1.710 0 50 CDAA Cc1noc([C@H]2CCN(C(=O)CCc3cnn(C)c3)C2)n1 299763289 YXIAJHDQNDLJDS-LBPRGKRZSA-N 289.339 1.060 0 50 CDAA CCSCCC(=O)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299768599 ONXUIEIVPFFLPA-NWDGAFQWSA-N 296.396 1.094 0 50 CDAA Cc1cc(C)cc(NC(=O)N[C@@H]2CNCC[C@H]2O)c1 299790280 BNYVTNVITHAGHV-CHWSQXEVSA-N 263.341 1.148 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C1CC1 630204004 YKULPKUDJSTBOX-QWHCGFSZSA-N 274.320 1.193 0 50 CDAA C[C@H](CCC(=O)N(C)CC1(CO)CCC1)N1CCCC1 584893339 LHLZBMXSSXSIFF-CQSZACIVSA-N 282.428 1.872 0 50 CDAA C[C@@H](CN1CCCC1)n1cnc2ncccc2c1=O 584895881 FSAUKWZBUPVOAU-NSHDSACASA-N 258.325 1.448 0 50 CDAA O=C(C(F)C(=O)N1CCC=C(F)C1)N1CCC=C(F)C1 585089505 SIJQNCGBZYEBFB-UHFFFAOYSA-N 288.269 1.496 0 50 CDAA Cc1ccc(-c2nc(CN3CCCC3)n(CCO)n2)o1 670438465 QTLGLYRNXQUWRY-UHFFFAOYSA-N 276.340 1.435 0 50 CDAA CCc1nc(CN2CCCCC2)n(C[C@@H]2COCCO2)n1 584893637 JBTYUBAKMDPIMT-CYBMUJFWSA-N 294.399 1.242 0 50 CDAA O=C(O)[C@@H]1NCCc2ccc(Br)cc21 72221365 NCUGWXAJTCNZBN-SECBINFHSA-N 256.099 1.721 0 50 CDAA in-vitro CNC[C@@H](O)[C@@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 952882212 JGOXBLQGYMWEQQ-DGCLKSJQSA-N 284.444 1.924 0 50 CDAA CNC(=O)c1cc(N2CC[C@@H](OCC3CC3)C2)ccn1 1875295186 SQNZOOSYYRRLNH-CYBMUJFWSA-N 275.352 1.447 0 50 CDAA CC(C)(CNC(=O)[C@@H]1CCC[C@@H]2CCCN12)N1CCCC1 1875295773 QBFAPKPHXIWUEE-CABCVRRESA-N 293.455 1.994 0 50 CDAA Cc1c(CNC(=O)[C@@H]2CCC[C@H]3CCCN32)cnn1C 1875268796 DZHMOBPAMORGPU-KBPBESRZSA-N 276.384 1.362 0 50 CDAA C[C@@H](CC(=O)O)NC(=O)C1CCC2(CCNC2)CC1 1875279798 DYCSHTXYLBUYJZ-IFQILLTASA-N 268.357 1.136 0 50 CDAA CN1CCN(C(=O)Nc2ccc(NC3CCC3)nc2)CC1 1875327095 QQNPSPPWIKTNJO-UHFFFAOYSA-N 289.383 1.825 0 50 CDAA Cn1cc(C[N@@]2C[C@@H]2COc2cccc3c2CCOC3)cn1 1875379313 PQUPJTWZAHUXIB-QRWLVFNGSA-N 299.374 1.756 0 50 CDAA CC(C)c1nnsc1CNC(=O)[C@H](C)Cn1cncn1 952970048 PTFLGBRSHINPCM-SECBINFHSA-N 294.384 1.206 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1ccccc1-n1cnnc1 952963000 DRXVAAONGKMJQN-UHFFFAOYSA-N 296.334 1.571 0 50 CDAA CC(C)n1cc(C(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)nn1 1775961044 QVGOTTWMTRDBEL-SMDDNHRTSA-N 292.339 1.328 0 50 CDAA CO[C@@H]1C[C@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1 38219212 FHXCXDUEKHFWGP-ZUWCUPBKSA-N 266.293 1.223 0 50 CDAA in-vitro Cn1nnc(NC(=O)[C@@H]2CC2(Cl)Cl)c1C(F)F 1349944011 BMPTTXDLXYOYCG-VKHMYHEASA-N 285.081 1.885 0 50 CDAA C/C(=C\Cl)CS(=O)(=O)[C@H](C)c1n[nH]c(C)n1 899496241 HIONVMSJTBYWKC-PTYLAXBQSA-N 263.750 1.732 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@@H]3CCCC[C@@H]3CO)c2c1 271000662 GFTYTINDCRXLFV-TZMCWYRMSA-N 287.363 1.924 0 50 CDAA COC(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 96035847 MFPPLBPVSINTPM-UHFFFAOYSA-N 287.312 1.261 0 50 CDAA in-vitro Cc1ccoc1C(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275313255 IDEGKZZBDXBUHW-JQWIXIFHSA-N 275.308 1.582 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](n3cccn3)C2)nc(C)n1 408240344 LWDJICGRHCGELC-LBPRGKRZSA-N 271.324 1.377 0 50 CDAA C[C@H]1C[C@H](C(=O)NC2(C3(C)CC3)CC2)CC(=O)N1 408462334 DCJOBXZJBAIFBE-UWVGGRQHSA-N 250.342 1.350 0 50 CDAA CC(C)[C@H](NCc1cc(C(N)=O)cs1)C(C)(C)O 276646144 RYEUCUPZSVGLLC-NSHDSACASA-N 270.398 1.732 0 50 CDAA C[C@H](CN(C)CCCOc1ccccc1)S(C)(=O)=O 408519497 HDLKPJLYHKISCM-CYBMUJFWSA-N 285.409 1.820 0 50 CDAA COC(=O)C1(CNC(=O)[C@@H](C)C(=O)OC(C)(C)C)CC1 413733052 YYOFOOZNDLSBHZ-SECBINFHSA-N 285.340 1.034 0 50 CDAA Cc1cccc(CC(=O)N2CC[C@H](C)S(=O)(=O)CC2)c1 170613673 TWADUJLVXUPGNY-ZDUSSCGKSA-N 295.404 1.573 0 50 CDAA CC(=O)OC(C)(C)C(=O)Nc1ccc(-n2ccnc2)nc1 170601867 MCUACUHKMYZHEM-UHFFFAOYSA-N 288.307 1.548 0 50 CDAA COc1ccc2cc(C(=O)N3CCC[C@@H]3C(=O)O)[nH]c2c1 517428730 UNHBTADGKPCRTQ-CYBMUJFWSA-N 288.303 1.866 0 50 CDAA CSC1(C(=O)N[C@H]2COc3ccccc3C2=O)CC1 190900441 QRCWFTRAGAAYON-JTQLQIEISA-N 277.345 1.642 0 50 CDAA CSCc1cccnc1C(=O)N1CCn2nccc21 565632537 ASLXCGNBWKLSAA-UHFFFAOYSA-N 274.349 1.802 0 50 CDAA O=C(CCc1cccnc1)N1CC[C@@H]2OCC[C@@H]2C1 570804574 ZEIMDRDRMFYFDI-KGLIPLIRSA-N 260.337 1.652 0 50 CDAA O=C(N[C@@H]1CCN(C2CC2)C1)c1cnn(-c2cccnc2)c1 675310226 BISNHAVMKMYMPI-CYBMUJFWSA-N 297.362 1.234 0 50 CDAA CCCCCOCC(=O)NC1(CCO)CCOCC1 584908611 ZGKIIYGPYLAOOC-UHFFFAOYSA-N 273.373 1.241 0 50 CDAA CSC[C@@H](C)C(=O)NCCS(=O)(=O)C(F)(F)F 585131439 VYIRYCGXAAFESO-ZCFIWIBFSA-N 293.332 1.036 0 50 CDAA CN(C[Si](C)(C)C)C(=O)[C@@]1(C)CCC(=O)NC1 585126739 HGOSPIACIWFGII-LBPRGKRZSA-N 256.422 1.239 0 50 CDAA COC(=O)c1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 20307187 VWYNLFPCRJZKHX-CYBMUJFWSA-N 276.336 1.171 0 50 CDAA CC[C@@H](C(=O)Nc1c(C)cnn1CC)N1CCOCC1 1506428430 OXHISCAXWKUVFK-LBPRGKRZSA-N 280.372 1.261 0 50 CDAA Nc1nc2c(c(C(=O)N[C@@H]3C=CCCC3)n1)CCCC2 1506406796 GTVXMTDWTILKPO-SNVBAGLBSA-N 272.352 1.776 0 50 CDAA CN(CC(=O)O)C(=O)c1cnc(CCC(F)(F)F)s1 907542921 BMXNWKXBDSYNFJ-UHFFFAOYSA-N 296.270 1.795 0 50 CDAA Cc1ncc(CN(CCO)C(=O)CCc2ccsc2)[nH]1 1704312539 UJDZRSRCUSRINN-UHFFFAOYSA-N 293.392 1.733 0 50 CDAA CC(C)CC[C@H]1CCC[C@H]1NCc1nc(=O)[nH][nH]1 225420144 TYRYFSPIMLFMQM-GHMZBOCLSA-N 252.362 1.793 0 50 CDAA O=C(C1CCOCC1)N1CCCN([C@H]2CCSC2)CC1 1565521821 BXZIVBMOSHZLAE-AWEZNQCLSA-N 298.452 1.453 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@H]1/C=C/c1ccccc1 228462 ZRYVNDFNDNKVOP-BCPZQOPPSA-N 288.372 1.993 0 50 CDAA NCCCCc1nnc(NCCN2CCCCCC2)o1 1772710613 CEFMAVANQCPMDL-UHFFFAOYSA-N 281.404 1.639 0 50 CDAA Cc1c(F)ccc(-c2ccc(N(C)CCO)nn2)c1O 1772705584 ODHQWPTZXWVEIJ-UHFFFAOYSA-N 277.299 1.725 0 50 CDAA O=C(NCc1cccn2nccc12)c1cnsc1 1772806580 BLVUDNQXAKNYJL-UHFFFAOYSA-N 258.306 1.721 0 50 CDAA CCCNC(=O)c1cnc2sc(C)c(C)n2c1=O 16625630 CEFBTYLWHFFIEI-UHFFFAOYSA-N 265.338 1.513 0 50 CDAA COc1ccc(C(=O)OCCN2CCOCC2)cc1 19913386 DPHOKLZALQVXFM-UHFFFAOYSA-N 265.309 1.184 0 50 CDAA biogenic CNC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 1079831 FDURFWOTNRZWGX-SECBINFHSA-N 290.344 1.483 0 50 CDAA C/C(=C\C(=O)O)C(=O)Nc1ccc(N2CCOCC2)cc1 4872454 PJAZHUMYCLUITN-ZHACJKMWSA-N 290.319 1.493 0 50 CDAA CCOC(=O)CNC(=O)/C=C/c1ccc2c(c1)OCO2 2739255 WYFWERIPJKVISX-GQCTYLIASA-N 277.276 1.108 0 50 CDAA Nc1cncc(N2CCC([C@@H](O)c3ccccn3)CC2)n1 1857677779 CWLAEJKKDVEQFP-OAHLLOKOSA-N 285.351 1.404 0 50 CDAA Cc1c(O)cccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857710351 SHHDANISQZXGGO-DRZSPHRISA-N 290.363 1.292 0 50 CDAA CCOCC(=O)N1CCOc2ccccc2[C@H]1C(=O)O 911057136 KSRVEMIQIWFPSZ-ZDUSSCGKSA-N 279.292 1.070 0 50 CDAA CCc1cc(C(=O)N[C@H](CC(=O)O)c2cccs2)n[nH]1 766847426 ZYQZPBJYPMLQNQ-SECBINFHSA-N 293.348 1.979 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)NCc1ncnn1C(C)(C)C 408469364 GOJSHCUASCASRB-GHMZBOCLSA-N 280.372 1.464 0 50 CDAA CN(C)CCNC(=O)c1cc2ccccc2oc1=O 4278414 ISZMBNDDWQZMTM-UHFFFAOYSA-N 260.293 1.084 0 50 CDAA C[C@H]1OCCN(Cc2nc3ccccc3o2)[C@@H]1C(=N)O 332181637 AAJJIZIEIIFMFK-RNCFNFMXSA-N 275.308 1.952 0 50 CDAA Cc1nc([C@H]2CCN(C(=O)c3ccc(F)cc3O)C2)n[nH]1 334014194 XSXFLJDMUJHZEC-VIFPVBQESA-N 290.298 1.588 0 50 CDAA CC(C)[C@@]1(CO)CCCN(c2ccnc(N(C)C)n2)C1 338806406 CBRDVCIAJKXVTF-HNNXBMFYSA-N 278.400 1.778 0 50 CDAA OCCOCCOCCOCCOCc1ccccc1 34629685 QDPIVUQXPXUNLN-UHFFFAOYSA-N 284.352 1.245 0 50 CDAA in-vitro CCc1nc(Cn2cc(-c3ccccc3OC)nn2)no1 900525543 XERTZFVAIHWZLQ-UHFFFAOYSA-N 285.307 1.947 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccc(F)cn2)C1 818310524 FMWZOXUXNGSMRU-OLZOCXBDSA-N 276.315 1.906 0 50 CDAA CC1(C(N)=O)CN(C(=O)c2ccc(C(F)F)c(F)c2)C1 823437462 RSZIOHHZTPUEKK-UHFFFAOYSA-N 286.253 1.711 0 50 CDAA Cc1cc(CCC(=O)N[C@]23CCC[C@H]2NCC3)no1 1263179164 GUYQBSISHVNWHR-OCCSQVGLSA-N 263.341 1.316 0 50 CDAA C[C@H]1c2nncn2CCN1C(=O)c1cc(C2CC2)nn1C 935619691 YKWTVWYHNIVDCN-VIFPVBQESA-N 286.339 1.106 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)c1ncccc1O)C1CC1 252489070 JEJLDEXZDLGOCV-NSHDSACASA-N 272.308 1.402 0 50 CDAA CCNS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 4306704 GCDYMESCBFYLPF-UHFFFAOYSA-N 294.332 1.830 0 50 CDAA O=C(CN1CCCCC1)Nc1ccc2c(c1)OCO2 4826933 KUAQEDPYOBHGFT-UHFFFAOYSA-N 262.309 1.840 0 50 CDAA in-vitro CO[C@@H](CN)CC(=O)NCCc1c[nH]c2ccccc12 232118557 VSJBZMAHWPPQES-GFCCVEGCSA-N 275.352 1.190 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)C[C@H]1COCCN1 128829570 GDVFNIIRGXBQLY-YPMHNXCESA-N 260.337 1.343 0 50 CDAA COCc1ccc(C(=O)N(C2CC2)[C@H](C)C(=O)O)cc1 262609582 KYBNUBVJFMQIBL-SNVBAGLBSA-N 277.320 1.911 0 50 CDAA O[C@H]1COC2(CCN(Cc3nccs3)CC2)C1 97654120 TXFLMJIIZYZWLK-SNVBAGLBSA-N 254.355 1.259 0 50 CDAA CCCc1nc(C(=O)N2CCOC[C@@H](CO)C2)cs1 77439699 GBJOEQJSEBFVIG-SNVBAGLBSA-N 284.381 1.177 0 50 CDAA CO[C@@H](C(=O)N1CCCC[C@H]1C(=O)O)C1CCC1 659767561 VUQCASZUELOCPY-WDEREUQCSA-N 255.314 1.267 0 50 CDAA Cn1cncc1CN1CCC[C@H](c2ccncn2)C1 370236512 PGMPDZQKBDLZSY-LBPRGKRZSA-N 257.341 1.590 0 50 CDAA CCOC(=O)[C@@H](NCC1COCOC1)C1CCCCC1 2325771935 CMEVDUBFLCSWGC-AWEZNQCLSA-N 285.384 1.709 0 50 CDAA CC(=O)Nc1ccc(C(=O)NC2=NCCS2)cc1 30064 PLXVOXIPCIVKND-UHFFFAOYSA-N 263.322 1.478 0 50 CDAA O=C(CCN1C(=O)c2ccccc2C1=O)NC1CCCC1 45191 RQFNYXJKPGEZSW-UHFFFAOYSA-N 286.331 1.732 0 50 CDAA O=C(CN1C(=O)c2ccccc2C1=O)N1CCCCCC1 47706 NNFFWRWBCVCRGX-UHFFFAOYSA-N 286.331 1.685 0 50 CDAA O=C(NC(=S)NCc1ccco1)c1ccco1 83793 KLCUTYGLJDBNKU-UHFFFAOYSA-N 250.279 1.677 0 50 CDAA COc1ccc(S(=O)(=O)Nc2nccs2)cc1 211272 FCHMFOFNAFKQJR-UHFFFAOYSA-N 270.335 1.953 0 50 CDAA in-vitro O=C(O)CCC(=O)Nc1ccc(N2CCOCC2)cc1 266954 BWSCWEPJLXLYPG-UHFFFAOYSA-N 278.308 1.327 0 50 CDAA O=S(=O)(CCCc1ccccc1)N1CCOCC1 399332 NZNVZBOVUXBAJO-UHFFFAOYSA-N 269.366 1.281 0 50 CDAA C[C@H]1CCc2c(C(=O)NN3CCOCC3)csc2C1 1052125 JHZQGADEVYAIEM-JTQLQIEISA-N 280.393 1.850 0 50 CDAA CC(=O)c1cccc(N[C@H]2C=CS(=O)(=O)C2)c1 1292783 GHIZFTIALRVUJI-LBPRGKRZSA-N 251.307 1.612 0 50 CDAA Cn1nc(CN2C[C@H](O)C[C@@H](O)C2)c2c(Cl)cccc21 2356145229 HEUWWYVTRUYZKP-NXEZZACHSA-N 295.770 1.154 0 50 CDAA COc1cccc(OC)c1OCCNC[C@H](C)O 2879716 LFYLJJJKCKFXFG-JTQLQIEISA-N 255.314 1.053 0 50 CDAA O=C(CCc1nc(-c2ccco2)no1)NC[C@H]1CCCO1 9699764 NJSJDXFSJIENMJ-SNVBAGLBSA-N 291.307 1.557 0 50 CDAA O=Cc1cccnc1S(=O)(=O)c1ccc(F)cc1 116627928 GFTAQHCYETYPCH-UHFFFAOYSA-N 265.265 1.866 0 50 CDAA COc1cc(N2CCC[C@@H](Cn3ccnc3)C2)ncn1 65531484 CGHJTSIMLUJRKG-LBPRGKRZSA-N 273.340 1.598 0 50 CDAA O=C(O)C[C@@H]1CCCCN1C(=O)c1ccc(F)cn1 228564463 SFTJLUFQFFFNBK-JTQLQIEISA-N 266.272 1.690 0 50 CDAA CC(C)=CC(=O)N1CCCN(C)C2(CCN(C)CC2)C1 67641857 BHWYMVAGOZMKRF-UHFFFAOYSA-N 279.428 1.581 0 50 CDAA O[C@H](COC[C@H]1CCCO1)CN1CCOc2ccccc21 247748932 TZAGRKDNZHXBLX-UONOGXRCSA-N 293.363 1.442 0 50 CDAA O=C(CCCOc1ccccc1)N1C[C@H](F)C[C@H]1CO 347419175 WUYUDEJZGGFQRX-OLZOCXBDSA-N 281.327 1.777 0 50 CDAA Cc1nc(N(C)CCc2cn[nH]c2)c2nc(C)oc2n1 67804480 ZPLUMIJHIKLTNC-UHFFFAOYSA-N 272.312 1.637 0 50 CDAA Cc1cc(N2CCC3(CC2)COC(=O)O3)n2nccc2n1 72426629 FKZAZJQNUNQSRW-UHFFFAOYSA-N 288.307 1.544 0 50 CDAA N[C@H](Cc1ccccc1)C(=O)N1CCc2ccnc(O)c2C1 423919031 DOXHOKMGIAMOLC-OAHLLOKOSA-N 297.358 1.242 0 50 CDAA CCc1nc(NC(=O)N2CCOC[C@@H](O)C2)sc1C 331482360 PYMWZNMMHFQVEO-VIFPVBQESA-N 285.369 1.239 0 50 CDAA CC(C)c1nnc(CN2CC[C@@H](N(C)CCO)[C@H]2C)o1 429119945 AVPCZSAIOFIGOG-VXGBXAGGSA-N 282.388 1.080 0 50 CDAA COc1ccc(CCCN2CCNC(=O)CC2)cc1F 170603010 LXYVMPACQYATDI-UHFFFAOYSA-N 280.343 1.589 0 50 CDAA CCCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)N(C)C2=O 72469019 DXQFSCVRXGZMOJ-UONOGXRCSA-N 288.395 1.795 0 50 CDAA O=C(O)c1cc2ncc(-c3ccnc4[nH]ccc34)cn2n1 72454731 CKXRWIAKSBBHKQ-UHFFFAOYSA-N 279.259 1.971 0 50 CDAA CCn1ccnc1CNC(=O)[C@@H](O)c1ccccc1Cl 216933198 LJAIBUDNCBNFLR-ZDUSSCGKSA-N 293.754 1.906 0 50 CDAA O=S1(=O)CC[C@H](CN2CCOCC3(CCCC3)C2)C1 365309039 RRTCFNKKHUXSLP-CYBMUJFWSA-N 287.425 1.314 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N1CC(c2ccccn2)C1 72144127 XKLDIVRQAMHGFP-UHFFFAOYSA-N 298.390 1.991 0 50 CDAA CO[C@@H]1CCCN(C(=O)c2cccc(CO)c2)CC1 365877879 JVPQJLDCVYGFHY-CQSZACIVSA-N 263.337 1.820 0 50 CDAA O=C1CCCN1C[C@@H]1CCCCN1C(=O)C1=CCOCC1 366381297 WFHSBHNIIDCXLZ-AWEZNQCLSA-N 292.379 1.337 0 50 CDAA CCn1ccnc1CNC(=O)[C@H](O)c1ccccc1Cl 216933219 LJAIBUDNCBNFLR-CYBMUJFWSA-N 293.754 1.906 0 50 CDAA COCc1nc(NCCn2cccc2)c2cnn(C)c2n1 72155904 XKRSDBRZWNAQAL-UHFFFAOYSA-N 286.339 1.423 0 50 CDAA O=C(c1ccc(-c2ncon2)cc1)N1CCO[C@H](C2CC2)C1 368890005 SKNYMDQLDGIYAS-AWEZNQCLSA-N 299.330 1.988 0 50 CDAA Cn1cc([C@@H](CO)NC2CCC3(CCCO3)CC2)cn1 370020708 OOUISXUZQOKZSH-SHARSMKWSA-N 279.384 1.535 0 50 CDAA CCc1[nH]ccc1C(=O)N(C)[C@@H]1CCCCNC1=O 370579592 LLUZAEOVIOLCDB-GFCCVEGCSA-N 263.341 1.318 0 50 CDAA CNC(=O)[C@H](NC(=O)c1ccncc1)c1ccccc1 47918269 MMBYPNKBQQHSAL-CYBMUJFWSA-N 269.304 1.299 0 50 CDAA Cn1cc(S(=O)(=O)NC(=O)C2CCC2)c2ccccc21 158414864 QHZCEAMEWZTZIH-UHFFFAOYSA-N 292.360 1.783 0 50 CDAA CCc1nn(C)cc1CN1CCN(C)C[C@H]1C(C)C 241124387 JHWVSVVHGWZGHL-HNNXBMFYSA-N 264.417 1.755 0 50 CDAA O=C(N[C@H]1CCCOC1)c1cccc(N2CCOC2=O)c1 171683099 SPLLHNKPBDVRBA-LBPRGKRZSA-N 290.319 1.552 0 50 CDAA COc1ccc(-c2ccc(CNC(C)=O)cn2)cn1 426372341 SOBRYHINBZYGIW-UHFFFAOYSA-N 257.293 1.788 0 50 CDAA COc1cccc(CCC(=O)NC[C@@H]2CCOC2)c1 41370820 LLSWLFOJTOWIFD-ZDUSSCGKSA-N 263.337 1.781 0 50 CDAA C[C@H](Cn1ccnc1)NCc1nc2ccccc2c(=O)[nH]1 49235509 CRTFTVMQSQEJND-LLVKDONJSA-N 283.335 1.298 0 50 CDAA COCc1nc(C)cc(N2CCC[C@@H](C)[C@H]2CO)n1 521398545 NCGHIGJDQNWMMA-ZYHUDNBSSA-N 265.357 1.529 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)Cc1ccncc1)C1CC1 222234924 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COc1ccccc1CC(=O)N1CC[C@H](C)C[C@@H]1C(N)=O 188515467 QCQIXCGFKKOFHB-WCQYABFASA-N 290.363 1.350 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CCCO1 189949823 RAVANAGUAAIWAE-UPJWGTAASA-N 284.400 1.916 0 50 CDAA Cc1cc(N2CCN(c3ccncc3)CC2)nc(C)n1 641958299 OACWKKPPYNDAKS-UHFFFAOYSA-N 269.352 1.815 0 50 CDAA Cn1cc([C@H]2CSCCN2C(=O)[C@H]2CCCO2)cn1 191997882 HPTWSBOBVDMDMP-VXGBXAGGSA-N 281.381 1.216 0 50 CDAA Cn1cncc1CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 561068250 BRTAWBYFDFHIQO-CYBMUJFWSA-N 273.340 1.440 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@H]2CCCC[C@@H]21 659195582 QIWAKFCNJIDCBX-DGAVXFQQSA-N 295.379 1.905 0 50 CDAA CCc1nc(CN(C)C(=O)[C@H](N)c2cscn2)cs1 572397953 SDESARVUZHCOLG-LLVKDONJSA-N 296.421 1.820 0 50 CDAA CS(=O)(=O)[C@@H]1CCCCN(c2nnc(C(F)F)o2)C1 579908482 ALUCXDOMYUTKRH-SSDOTTSWSA-N 295.311 1.411 0 50 CDAA CCn1cnnc1CNS(=O)(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585086220 JQVQJKCHYRBFLY-SRVKXCTJSA-N 298.412 1.154 0 50 CDAA C[C@](O)(c1nc(CC(=O)NC2CCCCC2)no1)C1CC1 585082468 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RCBFURMONGTOGF-ZIAGYGMSSA-N 291.395 1.721 0 50 CDAA Cc1cn2ccc(C(=O)N(C)C3(CN)CCC3)cc2n1 638263647 XHXIZKPGFWKLGL-UHFFFAOYSA-N 272.352 1.596 0 50 CDAA Cc1noc(C)c1C[C@H](C)C(=O)NC1(C(=O)O)CC1 237512967 HHIJECRXFGLVDB-ZETCQYMHSA-N 266.297 1.203 0 50 CDAA Cn1cc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)c2ccccc21 248106091 FYHXPJMUYAAENZ-ZBFHGGJFSA-N 288.347 1.136 0 50 CDAA COC(=O)CCCc1nc(C)c(C(=O)OC)s1 252498447 RCIDTZHABNOPQK-UHFFFAOYSA-N 257.311 1.734 0 50 CDAA CC(C)CNC(=O)c1ccc(CN2CCOCC2)cc1 19770165 XJEOCGIBSWSCJR-UHFFFAOYSA-N 276.380 1.905 0 50 CDAA O=C(c1ccc(Cl)s1)N1CCOC[C@H]1c1ncon1 253426573 XUQMSAFDZYQRAX-ZETCQYMHSA-N 299.739 1.998 0 50 CDAA O=C(CN1CCO[C@H](C2CC2)C1)NCc1ccccc1F 363940170 QVFOYJMUDDWOKJ-HNNXBMFYSA-N 292.354 1.553 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCCC[C@H]1C(=O)O 262684486 ULEGGFUAJIEIHZ-TUAOUCFPSA-N 285.340 1.036 0 50 CDAA COC/C(C)=C/Cn1cnc2c(N(C)C)ncnc21 901481342 VCFCQXYXTIIWOQ-BJMVGYQFSA-N 261.329 1.485 0 50 CDAA Cn1nc(NCc2cnc3n2CCOC3)c2ccccc21 902689545 JLMXAXCOOCRGEY-UHFFFAOYSA-N 283.335 1.912 0 50 CDAA O=C(CC1(O)CCCC1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 907958958 XDZBABUUMTUQSF-KKOKHZNYSA-N 281.352 1.297 0 50 CDAA Nc1c[nH]nc1[C@H]1CCN(C(=O)c2ccc3c(c2)CCO3)C1 864375809 FTZDWXSVQITYRD-LBPRGKRZSA-N 298.346 1.557 0 50 CDAA C=CC(=O)N(C)CC(=O)NC(C)(C)[C@@H]1CCCCO1 871171521 DJFAKCQYKWJVDQ-NSHDSACASA-N 268.357 1.095 0 50 CDAA CN(C)c1cccc(CSCCS(C)(=O)=O)n1 952879402 PMVIYWIJYAZQQP-UHFFFAOYSA-N 274.411 1.425 0 50 CDAA Cc1cc(O)c(Cl)cc1C(=O)NC1(C(N)=O)CC1 1875293325 MEIGRVUQOGLGJS-UHFFFAOYSA-N 268.700 1.102 0 50 CDAA O=C(C[C@@]1(O)CCOC1)N[C@@H]1CCOC2(CCCCC2)C1 1875283055 CZZYMDJJPTVDOS-HIFRSBDPSA-N 297.395 1.526 0 50 CDAA O=C1CCCN(C(=O)c2cc(O)nc(C3CC3)n2)CC1 1875298431 ADWJPKGHMQEXDY-UHFFFAOYSA-N 275.308 1.255 0 50 CDAA Cc1nnc(C(=O)NC[C@H](O)c2ccc(O)cc2)s1 1875282505 HXZCEAPMTJGNDQ-JTQLQIEISA-N 279.321 1.016 0 50 CDAA CC[C@H]1COCCN(c2nc3cnccc3n2C)C1 1875295163 SDGUMNHHUYDDDX-LLVKDONJSA-N 260.341 1.831 0 50 CDAA Nc1c(C(=O)N2CC(F)C2)cnn1-c1ccc(F)cc1 1875344104 DQNUQHHOGGSPBT-UHFFFAOYSA-N 278.262 1.388 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 1875318093 DUVLJHZWZCMOQU-JUFRQLOYSA-N 295.285 1.914 0 50 CDAA CO[C@@H]1CN(CC=C(C)C)C[C@H]1c1cn(C)nn1 886094186 RRQIABWEWCTHSS-WCQYABFASA-N 250.346 1.196 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C(C)(C)C2)o1 888398134 UFSAKZSVHLZBOU-JTQLQIEISA-N 285.365 1.674 0 50 CDAA CCOC(=O)[C@H](NC(=O)[C@@H](CC(C)(C)C)NC)C1CC1 1771753957 JAGPQTJJPXPUKN-VXGBXAGGSA-N 284.400 1.469 0 50 CDAA COC(=O)[C@@H](CCN)c1c[nH]nc1C(F)(F)F 1772715776 MOTPZDNHSQNJGJ-YFKPBYRVSA-N 251.208 1.034 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)[C@H]1CCCOC1 263520824 QWWRJEXQIPKCLB-VWYCJHECSA-N 255.314 1.125 0 50 CDAA Cc1cc(NCC2(S(C)(=O)=O)CC2)nc(C)n1 280423078 JWGAPJWJDLSRSF-UHFFFAOYSA-N 255.343 1.083 0 50 CDAA CC(C)n1ccc(C(=O)N2CCCC[C@H]2CCN)n1 286017627 JPDXMLSATVCVCZ-LBPRGKRZSA-N 264.373 1.808 0 50 CDAA Cc1cc(F)ccc1CN1CCO[C@@H](CCN)C1 97823438 VDKHESUVGPNGLD-AWEZNQCLSA-N 252.333 1.684 0 50 CDAA C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(F)cc1N 311891110 WIRNIPWDLPJXDQ-GXSJLCMTSA-N 266.316 1.783 0 50 CDAA CCn1cncc1CNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 426544596 ABBYCPAEXXLNLN-VHSXEESVSA-N 265.313 1.020 0 50 CDAA Cc1cnc(CN2CCN(C(=O)C3CCC3)CC2)cn1 670462612 DUYLOASSAHZLSC-UHFFFAOYSA-N 274.368 1.229 0 50 CDAA NC(=O)C1(NC(=O)c2cc(Cl)cc(Cl)c2O)CC1 934628261 NZWSAJXCLXUYEH-UHFFFAOYSA-N 289.118 1.447 0 50 CDAA CC(=O)N(CN1C(=O)CCC1=O)c1cccc(Cl)c1 52665 WLKPVXNUQHDUGI-UHFFFAOYSA-N 280.711 1.799 0 50 CDAA CC1(C)CC(NC(=O)NC2CC3(CNC(=O)O3)C2)C1 2325784588 XKQQETWRNUQRRU-UHFFFAOYSA-N 267.329 1.115 0 50 CDAA C[C@@](O)(Cc1ccccc1)C(=O)OCc1cncnc1 2325790483 OICCURRTBHPAQX-OAHLLOKOSA-N 272.304 1.514 0 50 CDAA C[C@@]1(C(=O)O)COC[C@@H]1NC(=O)C[C@@H]1C[C@@H]2C=C[C@H]1CC2 2325810076 HZYMSMBIXVKCEJ-FDZNKFEOSA-N 293.363 1.585 0 50 CDAA Fc1ccc2[nH]c(=NC[C@H]3CCn4cnnc4C3)oc2c1 2325816626 KVJTZAMKYSGLSR-VIFPVBQESA-N 287.298 1.655 0 50 CDAA C[C@@H](Cc1cnn(C)c1)C(=O)N1CCc2ncccc21 888141969 MLWWOKCPTLHSJA-NSHDSACASA-N 270.336 1.583 0 50 CDAA CC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1ccc(F)cc1 31804 QRPAQKCEQIGTSY-GHMZBOCLSA-N 269.297 1.873 0 50 CDAA NC1=N[C@H](c2ccccc2)N(c2ccccc2)C(N)=N1 63592 GWOLNTNSXCWRKK-ZDUSSCGKSA-N 265.320 1.835 0 50 CDAA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCNC1=O 287709 MZURRFOUDOALSB-BXUZGUMPSA-N 299.374 1.741 0 50 CDAA biogenic Cc1c(C=O)c2ccccc2n1CC(=O)N1CCOCC1 308358 UKXCCBXLWKJPFA-UHFFFAOYSA-N 286.331 1.621 0 50 CDAA O=C(Oc1ccccn1)[C@H]1COc2ccccc2O1 375772 YVWXZWVXWWUPCS-GFCCVEGCSA-N 257.245 1.827 0 50 CDAA O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2cnccn2)C1 339705436 MTWHDQMRRCMXER-CHWSQXEVSA-N 259.284 1.928 0 50 CDAA C[C@H]1C(=O)N2CCC[C@@H]2c2nnc(-c3ccncc3)n21 2356158320 HRVZBZGSKMZCGV-GXSJLCMTSA-N 269.308 1.578 0 50 CDAA CCN(CC(=O)O)S(=O)(=O)c1cc(C)ccc1OC 2882010 HSDRPLFCNVJYLC-UHFFFAOYSA-N 287.337 1.099 0 50 CDAA O=C(COc1ccc2c(c1)OCO2)Nc1nccs1 4503047 XDGIAQCJEYAUFU-UHFFFAOYSA-N 278.289 1.889 0 50 CDAA Cc1ccc(C)c(N([C@@H](C)C(=O)O)S(C)(=O)=O)c1 20130853 MZJMDMIADHZPOT-JTQLQIEISA-N 271.338 1.543 0 50 CDAA CCOC(=O)C1[C@@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 100888633 JCYZXDVNRFDPFC-VXGBXAGGSA-N 287.315 1.602 0 50 CDAA COCc1cc(CNC2CCN(CC(C)C)CC2)n[nH]1 67726570 USYBBPOKCUEOHZ-UHFFFAOYSA-N 280.416 1.766 0 50 CDAA O=C(O)CC[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O 170622857 LOZSEHZSTKQALR-SNVBAGLBSA-N 280.255 1.111 0 50 CDAA CC(=O)NCCc1cn(-c2cc(F)ccc2C)cn1 65497783 PCHYDWYSAJILQP-UHFFFAOYSA-N 261.300 1.998 0 50 CDAA O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@H]1C=CCCC1 343771567 OSJFASMLVKFOKM-VIFPVBQESA-N 288.311 1.012 0 50 CDAA C[C@@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CNC(N)=O 67819878 JBEWCFOASMPJBB-HXTFMFRQSA-N 293.411 1.766 0 50 CDAA Cc1ccc(F)c(C(=O)NCCSc2cn[nH]n2)c1F 20906559 IQLIUBQMBJVJKZ-UHFFFAOYSA-N 298.318 1.913 0 50 CDAA COc1ccccc1NC(=O)CCNC(=O)C(C)C 65365450 ZJOLRIVPGNUCPC-UHFFFAOYSA-N 264.325 1.796 0 50 CDAA O=C(O)[C@@H](O)c1cccc(I)c1 139900688 PWFDYHFRJKSBQO-ZETCQYMHSA-N 278.045 1.409 0 50 CDAA Cn1cc(Br)cc(Br)c1=O 174829 AOJAJTJZSBVNPU-UHFFFAOYSA-N 266.920 1.910 0 50 CDAA biogenic,in-vitro C[C@@H]1CN(C)CCN1[C@@H](C(=O)NC1CC1)c1ccccc1 229806890 XWKHYEHUGVNJOQ-CZUORRHYSA-N 287.407 1.642 0 50 CDAA CCOC(=O)NC(=O)N[C@@H](O)C(Cl)(Cl)Cl 214075524 HZAFRJRKNXIDOT-VKHMYHEASA-N 279.507 1.131 0 50 CDAA COc1ccc(CN2CCO[C@H](CCO)C2)cc1Cl 215612357 OQGMBJJVBROBNX-GFCCVEGCSA-N 285.771 1.932 0 50 CDAA c1cncc(NCCNc2ncnc3c2CCNCC3)c1 72421196 PSHPJLHLGYESAB-UHFFFAOYSA-N 284.367 1.084 0 50 CDAA CC[C@H](Nc1ncnc2c1c(C)nn2C)c1ccnn1C 72447720 ZXZICJAFWVKUMG-JTQLQIEISA-N 285.355 1.968 0 50 CDAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 257366252 PLUJUVWAZQIWFQ-GWCFXTLKSA-N 286.372 1.444 0 50 CDAA CN1CC[C@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@H]21 77407914 FDDOLQGOISSOIX-WCQYABFASA-N 294.782 1.751 0 50 CDAA O=C([C@@H](O)Cc1ccccc1)N1CC[C@H](n2cccn2)C1 366442956 QOGSPDVMSYFXFF-GJZGRUSLSA-N 285.347 1.260 0 50 CDAA C=CC(=O)OCCOCCOCCC(=O)OC(C)(C)C 214945309 NUVPBBXBXYFQLE-UHFFFAOYSA-N 288.340 1.481 0 50 CDAA CCn1cnc2c(N[C@H]3CCc4n[nH]cc4C3)ncnc21 374214759 XTLXZKHXDMVFDY-JTQLQIEISA-N 283.339 1.539 0 50 CDAA O=C(O)CCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 238178205 YDQXDBIWHPSAON-IUCAKERBSA-N 269.247 1.659 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)C[C@@H](O)c1cccc(F)c1 238105207 OLYACUUEEQNYAK-CHWSQXEVSA-N 295.310 1.715 0 50 CDAA O=S(=O)(N[C@@H]1COCc2ccccc21)C1CC1 333916511 NIKHCHDIVJGGME-GFCCVEGCSA-N 253.323 1.340 0 50 CDAA CCN(C)S(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 242191317 XENZHTOBVYPMAA-QWHCGFSZSA-N 296.392 1.411 0 50 CDAA COC[C@H]1CN(C(=O)COCC(F)(F)F)CC(C)(C)O1 339025900 CEPYOBOYDDYSEE-SECBINFHSA-N 299.289 1.218 0 50 CDAA COc1ccc(NC(=O)[C@@H](C)n2nc(C)ccc2=O)cc1 44394823 DUNNVKBIROQCLP-LLVKDONJSA-N 287.319 1.760 0 50 CDAA CC(C)c1nnsc1CNC(=O)[C@]1(C)CCCO1 426668949 FUOOUTIIBZBBRT-LBPRGKRZSA-N 269.370 1.847 0 50 CDAA CNC(=O)[C@@H](NC(=O)CCSC)c1ccccc1 220588929 QGKXKHKIAHUVFY-LBPRGKRZSA-N 266.366 1.343 0 50 CDAA CN(C)Cc1ccc(C(=O)NCCCc2ncc[nH]2)cc1 141135099 VEXLBSCWRYJSGV-UHFFFAOYSA-N 286.379 1.834 0 50 CDAA CC1(C)CCC(NC(=O)C(=O)N2C[C@H]3CC[C@H]2CN3)CC1 335040232 CYSPPJDLUBTINM-OLZOCXBDSA-N 293.411 1.034 0 50 CDAA CN(C)C(=O)Cc1ccc(-c2ccc(CN)nc2)cc1 96132816 SIODKSNNPPITEA-UHFFFAOYSA-N 269.348 1.838 0 50 CDAA CCOCCNC(=O)Nc1ccc2c(c1)COC2=O 426618360 PHJIYGFZXYEZHA-UHFFFAOYSA-N 264.281 1.515 0 50 CDAA COCc1nc2cc(N[C@H]3CCN(C)C3=O)ccc2o1 175915102 KIVHGNJZJQKJIP-JTQLQIEISA-N 275.308 1.617 0 50 CDAA CCc1nc(C)c(C(=O)NCCN2CCCC2)o1 97480413 IDASICJTKRULHO-UHFFFAOYSA-N 251.330 1.371 0 50 CDAA C[C@]1(C(=O)N2CCO[C@@H](c3ccccc3F)C2)CCNC1 237533007 AJDXAHQSGDVIOR-ZBFHGGJFSA-N 292.354 1.725 0 50 CDAA CS(=O)(=O)Cc1ccc(-c2ccc(O)cc2)nc1 97475523 BBWJPBGDYQYZEW-UHFFFAOYSA-N 263.318 1.999 0 50 CDAA CN(C)c1ccc(-c2nc([C@H]3CCOC3)no2)cn1 96180007 LWLFFHACCYTJJT-JTQLQIEISA-N 260.297 1.702 0 50 CDAA Cc1cccc(C(=O)N[C@H](CO)CN2CCCCC2)c1O 288593276 SNUUFXLJTHAMBJ-ZDUSSCGKSA-N 292.379 1.277 0 50 CDAA CCC1=NO[C@@H](C(=O)NCc2nc(CSC)no2)C1 244874559 XDDSKIKJAHYDRN-MRVPVSSYSA-N 284.341 1.104 0 50 CDAA CN1[C@H]2CC[C@@H]1CN(CCn1cc(Cl)cn1)CC2 244724481 MUYLAWKNTFGQQX-QWHCGFSZSA-N 268.792 1.705 0 50 CDAA CN(C)C(=S)NC1CCN(C(=O)OC(C)(C)C)CC1 242981340 HRBCZHBAJCANST-UHFFFAOYSA-N 287.429 1.822 0 50 CDAA Cn1ccc(NC(=O)CN2CCC[C@H]2c2nccs2)n1 244787746 QCYNTDDUIKKOSU-JTQLQIEISA-N 291.380 1.652 0 50 CDAA NC[C@H]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 178526670 XKHFHVBUYDUHLN-LLVKDONJSA-N 288.326 1.432 0 50 CDAA COc1ccc([C@H](NC(=O)CSC)[C@H]2C[C@@H](O)C2)cn1 252527835 DLYXAJDKLLEJQG-WDMOLILDSA-N 296.392 1.381 0 50 CDAA CCC(CC)n1nc(C)cc1C(=O)N1CCS(=O)CC1 180395880 IEMUCJIGKFNZLC-UHFFFAOYSA-N 297.424 1.757 0 50 CDAA CC(=O)N1CCC(N[C@H](c2ncnn2C)C(C)C)CC1 534660576 SXLXPLNWRLLZTC-ZDUSSCGKSA-N 279.388 1.113 0 50 CDAA Cc1nc(CNC(=O)N2CCC3(CCCO3)CC2)no1 534654366 DCAIIYIHEZZQEZ-UHFFFAOYSA-N 280.328 1.233 0 50 CDAA C[C@@H](CC(C)(C)O)NC(=O)c1ccc2c(c1)NC(=O)CO2 297265807 RPSRBWVVGUVPIZ-VIFPVBQESA-N 292.335 1.297 0 50 CDAA Cc1cccc(-n2cc(CNC(=O)C[C@@H]3CCNC3)cn2)c1 299781004 QNNZVMHVMDOCCC-AWEZNQCLSA-N 298.390 1.797 0 50 CDAA Cc1noc(C)c1NC(=O)NCCSc1cnn[nH]1 299769703 TVLXXUODNULNDR-UHFFFAOYSA-N 282.329 1.323 0 50 CDAA Cc1cc(C(=O)NCc2csc(N)n2)cc(C)n1 825261456 CGXQZRGNMOQQSS-UHFFFAOYSA-N 262.338 1.667 0 50 CDAA OCc1nc(CCNc2ncnc3sccc23)no1 828840508 XCZNHPNHUGXCGO-UHFFFAOYSA-N 277.309 1.221 0 50 CDAA O=C(C[C@H]1C=CCC1)NCCN1CCCCC1=O 584892574 GFIWLTQTVPIVHP-LBPRGKRZSA-N 250.342 1.471 0 50 CDAA Cc1cc(C)n(CC(=O)N[C@@H](C)c2c(C)n[nH]c2C)n1 584901794 DKVXPQLQIPSFKQ-JTQLQIEISA-N 275.356 1.717 0 50 CDAA NC(=O)C1(NC(=O)[C@H](O)C2CCCCC2)CCCCCC1 584885585 MRKQUFMZKCJDOM-CYBMUJFWSA-N 296.411 1.622 0 50 CDAA COc1ccc2ncn([C@H]3CC[C@@H](N)CC3)c(=O)c2c1 670458835 QCCLEXYNWDBRKA-PHIMTYICSA-N 273.336 1.848 0 50 CDAA Cc1ccc(CN2CCN([C@H]3CCOC3)CC2=O)cc1C 670449141 BDTCZTOGEOSAHZ-INIZCTEOSA-N 288.391 1.737 0 50 CDAA C[C@H](NC(=O)CS(=O)(=O)C(F)F)c1cccs1 1421448782 NHULZBLDGDRYOR-LURJTMIESA-N 283.321 1.563 0 50 CDAA CCn1ccc(CNC[C@@H]2CC(=O)N(C3CCCC3)C2)n1 952966477 WNCLMOVOWJAVEW-ZDUSSCGKSA-N 290.411 1.784 0 50 CDAA C=CC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1356508725 CBIUENUYNDWIRY-CYBMUJFWSA-N 290.319 1.111 0 50 CDAA O=C1CC[C@H](NCCc2cnc[nH]2)CCN1CC1CC1 952981398 SXAPDRFNLGTIIQ-ZDUSSCGKSA-N 276.384 1.333 0 50 CDAA CCc1cccc(C)c1NC(=O)NC[C@H]1CCNC[C@@H]1O 1565506807 DNLMCZJBEWFNAY-KGLIPLIRSA-N 291.395 1.649 0 50 CDAA CNC(=O)[C@H](NCc1nc(-c2ccco2)no1)C(C)C 183654382 GUFCYDJJYADMFY-LLVKDONJSA-N 278.312 1.190 0 50 CDAA CNC(=O)[C@@H](NCc1nc(-c2ccco2)no1)C(C)C 183654368 GUFCYDJJYADMFY-NSHDSACASA-N 278.312 1.190 0 50 CDAA NC(=O)[C@@H]1CN(c2ncccc2F)C[C@H]1C(F)(F)F 299745093 WCTCCORGJLLXDO-RNFRBKRXSA-N 277.221 1.321 0 50 CDAA C[C@H]1CN(c2nc3ccccc3[nH]2)C[C@H]1N1CCOCC1 270554382 HFBHTQJUZQVQGY-SWLSCSKDSA-N 286.379 1.720 0 50 CDAA CC(=O)NC[C@H]1CCCN(c2nc(C3CC3)ns2)C1 301533488 SRPCGCLOTDZVLA-SNVBAGLBSA-N 280.397 1.768 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCO[C@H]2CCC[C@@H]21 273129367 PHXJYFGMNPBXGR-XDTLVQLUSA-N 277.368 1.910 0 50 CDAA Nc1nc(Cl)cc(N[C@H](CO)Cc2ccc(O)cc2)n1 302023488 JIULNJWOOGMVBC-VIFPVBQESA-N 294.742 1.433 0 50 CDAA C[C@H](CNC(=O)C1CCC(O)CC1)N1CCCCC1=O 407990842 MUSWTZWXXNQOLD-PNESKVBLSA-N 282.384 1.055 0 50 CDAA CCS(=O)(=O)C1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 408357876 CKNJSHLIZOQQDS-SGMGOOAPSA-N 297.420 1.624 0 50 CDAA O=C(c1ccncn1)N1CCC[C@H](C(F)(F)F)C1 275101210 PEMSSXGRRUZCMQ-QMMMGPOBSA-N 259.231 1.891 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(O)nn1 277589656 ZYMHCFBTZHKRER-BDAKNGLRSA-N 251.286 1.326 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc2nccn2c1 169931619 VWURUEKTFYFOAA-NSHDSACASA-N 273.292 1.414 0 50 CDAA Cc1cnc(C(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)o1 631476940 TVSOLRVBEHHCBM-LBPRGKRZSA-N 288.351 1.982 0 50 CDAA CO[C@H](C)CS(=O)(=O)Nc1ccc(C(=O)O)c(C)c1 278579953 JIEWXJRLHDPJCD-SECBINFHSA-N 287.337 1.470 0 50 CDAA CC(C)Cn1nnnc1SCCN1CCO[C@H](C)C1 188281196 CADHACYACGIVCN-LLVKDONJSA-N 285.417 1.142 0 50 CDAA C[C@H](C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)n1cncn1 188714383 RXBZQOHUWKGAGT-UTUOFQBUSA-N 280.372 1.407 0 50 CDAA CNc1ccc(Cl)c(C(=O)N2C[C@H](OC)C[C@H]2CO)c1 644889897 VQJALKBKNWWXSR-WDEREUQCSA-N 298.770 1.604 0 50 CDAA CNC(=O)Cn1cc(N[C@@H]2CC(C)(C)C[C@@H]2C)cn1 192390933 WGOMIAMMMJLTLF-CMPLNLGQSA-N 264.373 1.866 0 50 CDAA O=S(=O)(Cc1cc(Cl)ccc1F)Nc1nnc[nH]1 194559486 FXEDDQQJSZACMH-UHFFFAOYSA-N 290.707 1.539 0 50 CDAA CCCC(C)(C)NC(=O)[C@@H](N)Cc1cncs1 719082963 LYLFZUHVWOQBJD-JTQLQIEISA-N 255.387 1.708 0 50 CDAA Cn1nncc1CC(=O)N1CCC[C@@H]1Cc1ccccc1 665823556 IYQUPVAUROUYQX-CQSZACIVSA-N 284.363 1.591 0 50 CDAA CCCCCOCC(=O)NCC[C@H]1CCCN1C 585113807 RISBRHCQLYJXIL-CYBMUJFWSA-N 256.390 1.794 0 50 CDAA COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)C2CC2)cc1 681556999 XQFLOTMCJUKMQH-GFCCVEGCSA-N 299.348 1.293 0 50 CDAA Cc1nocc1S(=O)(=O)NC1CC(Cl)(Cl)C1 1615001982 QXIKRKGTNATKLF-UHFFFAOYSA-N 285.152 1.598 0 50 CDAA CN(C(=O)Nc1ccc(C2=NNC(=O)CO2)cc1)C1CC1 1615059177 WROMECGKRQTVNJ-UHFFFAOYSA-N 288.307 1.121 0 50 CDAA Cn1ccc(C2CCN(C(=O)[C@@H]3C[C@H](N)[C@H]4C[C@H]43)CC2)n1 1615544552 CBAIUMVRCBYURX-RQJABVFESA-N 288.395 1.109 0 50 CDAA O=S(=O)(N[C@@H](CO)c1ccccc1)c1ccccc1 405624 YQUFKSRAKRZOFV-AWEZNQCLSA-N 277.345 1.699 0 50 CDAA O=c1c2[nH]ccc2ncn1CCCc1ccccn1 1857708374 QFTQMPDMUIXVLG-UHFFFAOYSA-N 254.293 1.752 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)[C@@H]1CC12CCNCC2 1506422994 BRSDNMVZVBKSOW-LBPRGKRZSA-N 276.384 1.619 0 50 CDAA O=C(Nc1cccc(F)c1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 104318067 OASYZVWDOZKCAW-KKOKHZNYSA-N 279.267 1.642 0 50 CDAA COC(=O)[C@@H](C)OC[C@H]1COc2ccccc2O1 670418972 NRZKRWRAJLQOHW-ZJUUUORDSA-N 252.266 1.405 0 50 CDAA COC(=O)[C@@H](C)OC[C@@H]1COc2ccccc2O1 670418969 NRZKRWRAJLQOHW-NXEZZACHSA-N 252.266 1.405 0 50 CDAA Cn1ccnc1NC(=O)c1cccc2c1OCCO2 1506395218 DLDJSRBXFZWPRA-UHFFFAOYSA-N 259.265 1.444 0 50 CDAA FCC[C@H]1CN(c2cc(C(F)F)ncn2)CCO1 928996643 ZUNSADAGVGZATF-QMMMGPOBSA-N 261.247 1.979 0 50 CDAA CO[C@H]1CN(C2CCNCC2)C[C@H]1Cc1cc(C)no1 1529106897 SZZYBFDSSOEXEC-DOMZBBRYSA-N 279.384 1.224 0 50 CDAA CSCC[C@H](O)C(=O)N(Cc1ccncc1)C1CC1 222972031 FMAKGKDEJPNXCR-ZDUSSCGKSA-N 280.393 1.687 0 50 CDAA Cc1ccsc1C(=O)N(CCO)Cc1ncc[nH]1 1704313363 OLHFFNDQKJDDSX-UHFFFAOYSA-N 265.338 1.414 0 50 CDAA Cc1nn(C)c(Cl)c1CN(CCO)Cc1ncc[nH]1 1704316072 JLYBPGNTZMZHOJ-UHFFFAOYSA-N 283.763 1.100 0 50 CDAA CCOCCN1CCC2(CC1)C[C@@](C)(O)CCO2 1704333401 ZOYFJOJXZNEOMV-ZDUSSCGKSA-N 257.374 1.419 0 50 CDAA OC[C@]12CCOC[C@H]1CN(CCOCc1ccccc1)C2 1772706704 UUKLGQLJYVBJOG-IAGOWNOFSA-N 291.391 1.534 0 50 CDAA CC(C)(C)C(=O)N1CCC(C(=O)N2CCCC2)CC1 13011956 CRJTYAQJYDKNJB-UHFFFAOYSA-N 266.385 1.894 0 50 CDAA CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccnc1 13125298 DCWMTTOXMHKMGU-LBPRGKRZSA-N 285.307 1.525 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)c(F)c1 123275619 WTCQBFMZUVUDTN-VXGBXAGGSA-N 286.372 1.682 0 50 CDAA CCNC(=O)c1ccc(NS(=O)(=O)CC)cc1 16489228 ILXTVUURZMBERT-UHFFFAOYSA-N 256.327 1.198 0 50 CDAA Cc1ccc(CN2CCN([C@H]3CCCC[C@@H]3O)CC2)cn1 19794887 GZBYUYSDKLSTCQ-IRXDYDNUSA-N 289.423 1.811 0 50 CDAA CNC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)n1 1857527800 PQQTWXZEOZOLTB-UHFFFAOYSA-N 283.331 1.713 0 50 CDAA COCCn1nc2c(c1C(=O)N1CCC1)C[C@@H](C)O[C@H]2C 1857529635 TYKKNMBGWUSLHO-MNOVXSKESA-N 293.367 1.398 0 50 CDAA O=C(N[C@H]1C=CCC1)c1cccc(-n2cnnc2)c1 1857689394 OSZWXDBHRREGIK-LBPRGKRZSA-N 254.293 1.716 0 50 CDAA CSCc1ccc(C(=O)N2CC(CC(N)=O)C2)cc1 225440208 IPHSLWPDNFTKQP-UHFFFAOYSA-N 278.377 1.497 0 50 CDAA CCC(=O)N1CC[C@H](NC(=O)Nc2ccc(OC)nc2)C1 128076220 KBFQTIBRQLIGTA-NSHDSACASA-N 292.339 1.223 0 50 CDAA N[C@@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1 132624691 IZNISGZSAOIHCX-TZMCWYRMSA-N 260.337 1.250 0 50 CDAA O=C(c1ccccc1OC1CC1)N1CC[C@H](n2cncn2)C1 377280418 KNMAYBGRTHBBDK-LBPRGKRZSA-N 298.346 1.907 0 50 CDAA NC[C@@H]1CC2(CCN(c3cnc4ccccc4n3)CC2)CO1 900363294 LZTXTMRCHLMPQQ-ZDUSSCGKSA-N 298.390 1.964 0 50 CDAA O=C(O)c1cc2n(n1)CCC[C@H]2NCc1cccc(O)c1 905796259 TZPXMFJKGNPYOF-GFCCVEGCSA-N 287.319 1.912 0 50 CDAA CC1(C)C[C@@H](NC(=O)N[C@H](c2ncccn2)C2CC2)CO1 923173352 LYHJIEPGKFUWIG-NEPJUHHUSA-N 290.367 1.794 0 50 CDAA C[C@@]1(C(=O)NCCn2cccn2)CCOc2ccccc21 930619145 RCVYZVDYKPLVFV-MRXNPFEDSA-N 285.347 1.740 0 50 CDAA O=C1NS(=O)(=O)c2c(OC(F)(F)F)cccc21 1857783464 RAKZARZSXZGLMA-UHFFFAOYSA-N 267.184 1.017 0 50 CDAA Cc1cc(C)n2ncc(-c3noc([C@H](O)C4CC4)n3)c2n1 952883860 YMRLJDWVSZOQLE-LLVKDONJSA-N 285.307 1.840 0 50 CDAA NC(=O)c1ccc2c(c1)CCN2C(=O)CC1CCNCC1 1875263875 FWSGWNSYKPIQFV-UHFFFAOYSA-N 287.363 1.064 0 50 CDAA Cc1cc(O)nc(C)c1C(=O)NCc1cccc(C(N)=O)c1 1875261861 HJLIGAIFLAQGDT-UHFFFAOYSA-N 299.330 1.433 0 50 CDAA Cc1nccc([C@@H](C)N[C@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)n1 1875271152 COBWKIAQUMCYCH-CESCGJFKSA-N 259.353 1.859 0 50 CDAA C[C@@H](NCCc1cn(C)nn1)C1=Cc2ccccc2OC1 1875284978 XQFBMQIRPIEJQL-GFCCVEGCSA-N 284.363 1.812 0 50 CDAA CO[C@H]1C[C@@H]2C[C@H](C(=O)N[C@@H]3CS[C@H](C(=O)O)C3)C[C@@H]21 1875300887 VAJHCWILLOYIEX-ZNSCXOEOSA-N 299.392 1.122 0 50 CDAA O=C(N[C@@H]1CCOC12CCCCC2)[C@@H]1CCCO1 888299833 ZHCNNIMGKQWGKZ-NWDGAFQWSA-N 253.342 1.773 0 50 CDAA CCc1cnc(O)c(C(=O)N2CCOC[C@@]2(C)C2CC2)c1 890591568 YLWOEHJGSOTYSN-INIZCTEOSA-N 290.363 1.991 0 50 CDAA C[C@@]1(C2CC2)COCCN1C(=O)c1cnc2nccn2c1 890590438 OXFDWWLPCHCILK-HNNXBMFYSA-N 286.335 1.370 0 50 CDAA COC(=O)Cn1cc([C@@H](C)OC(=O)/C=C(\C)C(C)C)nn1 1775987104 ZDYNIPXYVRNETB-CDCCAWJDSA-N 295.339 1.658 0 50 CDAA O=C1NCc2ccc(C(=O)NCC[C@@H]3CCOC3)cc2N1 1776006527 VISHAHZHVJHGLZ-SNVBAGLBSA-N 289.335 1.478 0 50 CDAA Cn1cc(NC(=O)Nc2ccc3c(c2)CCC3)nn1 1185736788 QQVYBSXUODUGET-UHFFFAOYSA-N 257.297 1.948 0 50 CDAA CC[C@]1(C(=O)N[C@@H]2CCN3CCC[C@H]3C2)CCCN1 251265471 OFXRXVXZBXEYJF-VNHYZAJKSA-N 265.401 1.262 0 50 CDAA O=C(c1ccc2c(c1)CCO2)N1CCc2[nH]ncc2C1 20859150 CMJOHYGZTPYSHF-UHFFFAOYSA-N 269.304 1.543 0 50 CDAA CC1(C)CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)O1 263349085 UZQFVSNXHXVAEJ-OUAUKWLOSA-N 269.341 1.561 0 50 CDAA Cc1nc([C@@H]2CCCN(Cc3nnc(C)s3)C2)no1 299801076 VLHCHFFLMUFUAP-SNVBAGLBSA-N 279.369 1.918 0 50 CDAA Cn1ccnc1CN1CCCC[C@H]1CN1CCOCC1 77469776 NHEHYFMPDGGDTD-AWEZNQCLSA-N 278.400 1.107 0 50 CDAA CN(Cc1ccnn1C)C[C@@H]1CCc2nccn2C1 328625320 CZJSWCDTDPTTNQ-LBPRGKRZSA-N 259.357 1.311 0 50 CDAA COc1ncc(CN2CCC[C@H](CCC(=O)O)C2)cn1 824851768 DSAYQGJXZMMBLD-LLVKDONJSA-N 279.340 1.562 0 50 CDAA CSc1nc(N)cc(NCCc2nc(C)cc(O)n2)n1 952869939 PWHVFQREMGQTPW-UHFFFAOYSA-N 292.368 1.239 0 50 CDAA C[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@H]1C[C@H](N(C)C)C1 2325784695 DAQWAFBXMLVCKE-FDYHWXHSSA-N 280.368 1.548 0 50 CDAA O=C1C=CC(=O)N1c1ccc(I)cc1 14362 GIXQASIEVHMYQH-UHFFFAOYSA-N 299.067 1.721 0 50 CDAA Cc1ccc2c(c1)[C@](O)([C@@H]1COC(C)(C)CC1=O)C(=O)N2 229556 XNHZGZZHBFCLPG-BZNIZROVSA-N 289.331 1.519 0 50 CDAA biogenic CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1 361435 JINJWOMJXYYZNU-UHFFFAOYSA-N 293.758 1.908 0 50 CDAA COc1cc(C)ccc1OCCN1C[C@@H]2CNC(=O)[C@@H]2C1 2356134698 YFCWBGYUKVWTIV-QWHCGFSZSA-N 290.363 1.060 0 50 CDAA O=S(=O)(CCO)c1cc(Cl)cc(Cl)c1 2511140 OYJBEFALYNZDPZ-UHFFFAOYSA-N 255.122 1.759 0 50 CDAA COC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H](C)Cc1ccccc1 132311612 KKEDREBDTMFYQW-CFVMTHIKSA-N 277.364 1.473 0 50 CDAA CN(C(=O)CCc1ccc(Cl)s1)[C@H]1CCNC1=O 340449969 DJRUEXDLKUFVAE-VIFPVBQESA-N 286.784 1.681 0 50 CDAA CCCc1c(C)nc(N2CCN(C)CC2)nc1O 8914277 WFJVRZWNXLHPHQ-UHFFFAOYSA-N 250.346 1.195 0 50 CDAA CC[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10315132 MQIZTMQYLQZDQF-SNVBAGLBSA-N 284.381 1.895 0 50 CDAA CSCC[C@@H](C(=O)O)n1c(O)nc2ccccc2c1=O 9058895 RPNUTXCHADQPNY-JTQLQIEISA-N 294.332 1.481 0 50 CDAA C[Si](C)(CNC(=O)NC[C@@H](O)C1CC1)c1ccccc1 225853209 FXSUWOYIZDAOIY-CQSZACIVSA-N 292.455 1.211 0 50 CDAA Cc1nn(C)cc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 170625917 ZHLKWGWYLPHPGV-HNNXBMFYSA-N 285.303 1.141 0 50 CDAA Cc1nnsc1C(=O)NC[C@@H]1CCCN(CC(C)C)C1 67772156 LHUHUMUCCUWVEO-LBPRGKRZSA-N 296.440 1.944 0 50 CDAA Cc1cnc(CNC[C@]2(O)CCCN3CCCC[C@@H]32)cn1 63856792 PNSHZOGYSWKVPY-HZPDHXFCSA-N 290.411 1.254 0 50 CDAA CC(=O)Nc1cccc(-c2ccc(NCCO)nn2)c1 65397552 VDGXVSHZAPAADG-UHFFFAOYSA-N 272.308 1.506 0 50 CDAA O=C(Cn1ccnc1)NC[C@H]1OCCc2ccccc21 215614985 VPLHXNOIRFPMJV-CQSZACIVSA-N 271.320 1.313 0 50 CDAA OC[C@@H]1CCCCN1CCCn1ccnc1-c1ncc[nH]1 72134638 QEEGGSDWIVQSGO-ZDUSSCGKSA-N 289.383 1.510 0 50 CDAA Cn1cc(CNC[C@H]2CCCOC2)c(-c2ccncc2)n1 237929107 SWYRGOZYQHIFMK-CYBMUJFWSA-N 286.379 1.998 0 50 CDAA COC(=O)N1CCC[C@H](C(=O)Oc2c(C)nn(C)c2C)C1 170640389 HHQJJXQMJUAZCO-NSHDSACASA-N 295.339 1.421 0 50 CDAA CCCc1ccc(CN2CC[C@H](NC(C)=O)C2)o1 215751435 QWTINSPHBIFZAL-LBPRGKRZSA-N 250.342 1.943 0 50 CDAA O=C(c1cncc(O)c1)N1CCOC[C@@H](C2CCC2)C1 329231852 KXIXYLDOMWRZEI-ZDUSSCGKSA-N 276.336 1.676 0 50 CDAA CC1(C)CNCC[C@H]1NC(=O)c1cc(F)cc2nc[nH]c12 334679318 ORAIXAJNZFBTRB-GFCCVEGCSA-N 290.342 1.820 0 50 CDAA COc1cc(C)cnc1C(=O)N1CC[C@@H](O)C1(C)C 362268204 BPTRYHDWKZAUMM-LLVKDONJSA-N 264.325 1.384 0 50 CDAA CN(CCc1cnn(C)c1)Cc1cccc2nonc12 215727859 FDRDDRPDMJTQTA-UHFFFAOYSA-N 271.324 1.631 0 50 CDAA C[C@@H]1CN(CCC2CCOCC2)CC[S@@](=O)C1 334709929 CWTYVYHRCOHBGA-SJKOYZFVSA-N 259.415 1.504 0 50 CDAA Cc1cc(C(=O)N[C@@H](CC(N)=O)c2ccccc2)nn1C 358460267 WKILNQXMCVPDOH-LBPRGKRZSA-N 286.335 1.075 0 50 CDAA O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@@H]1C1CC1 170655899 SWRZGPDIALENCM-GHMZBOCLSA-N 292.408 1.607 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cccnc2S)no1 152068127 RHPJJFXRMXPXTE-LURJTMIESA-N 264.310 1.553 0 50 CDAA COCCN(C[C@H]1CC=CCC1)C(=O)c1csnn1 331113838 KLMZFRSNNODLBX-NSHDSACASA-N 281.381 1.983 0 50 CDAA Cc1cc([C@H]2CN(Cc3cnn[nH]3)CCO2)ccc1F 450637870 BFKDETOGHUSNTE-CQSZACIVSA-N 276.315 1.826 0 50 CDAA CNC(=O)[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 154955609 AAJVPBCZYFWBIR-NSHDSACASA-N 292.383 1.440 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 331588897 GGQPMNIIFDFOLS-LLVKDONJSA-N 284.381 1.362 0 50 CDAA Cc1noc(C)c1CN1CCC[C@]2(CC1)CNC(=O)O2 215833839 JQESIGDZBJYEGG-AWEZNQCLSA-N 279.340 1.756 0 50 CDAA NS(=O)(=O)c1ccc(-n2ccnc2[C@H]2CCOC2)cc1 71745831 ZOBJHQKCTZIDOU-JTQLQIEISA-N 293.348 1.024 0 50 CDAA Cn1ncnc1CN1CCOC[C@H](C2CCC2)C1 366424590 ZXEJHUYUWIETHN-GFCCVEGCSA-N 250.346 1.064 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CC[C@@H]1C(=O)O 261587745 VFSCZNFIRLIXNQ-WOPDTQHZSA-N 251.326 1.912 0 50 CDAA CN(CC(=O)O)[C@H](C(=O)N1CCCCC1)c1ccccc1 130097567 XLBJGZINIJOACX-HNNXBMFYSA-N 290.363 1.757 0 50 CDAA Cc1nnc(CN(C)C(=O)CCc2cccnc2)o1 215855148 XAWKJZDFNNRQGA-UHFFFAOYSA-N 260.297 1.364 0 50 CDAA CN1CC[C@H]2CN(Cc3ccccc3OCC(=O)O)C[C@H]21 77406305 RNHVIJWOQOCQTF-GXTWGEPZSA-N 290.363 1.286 0 50 CDAA CC1(C)NCC[C@H]1NC(=O)CCC1CCOCC1 333623832 YZOIABCUAXHCRW-GFCCVEGCSA-N 254.374 1.450 0 50 CDAA CC1(C)NCC[C@@H]1NC(=O)CCC1CCOCC1 333623839 YZOIABCUAXHCRW-LBPRGKRZSA-N 254.374 1.450 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](CN2CCCC2)C1 237942391 PRLPGJVGDMFGTF-BFHYXJOUSA-N 265.401 1.058 0 50 CDAA Cc1cc(S(=O)(=O)N2CCCC[C@H]2CN)c(C)o1 237782958 SDMZSPXINOJNOZ-NSHDSACASA-N 272.370 1.398 0 50 CDAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N[C@H]1CCCn2ncnc21 375601095 WWHDCWZTQMWRQW-VLEAKVRGSA-N 264.329 1.043 0 50 CDAA COC(=O)CCN1CCN(C(=O)C[C@@H]2C=CCC2)[C@H](C)C1 241837569 SLEIYXBOUMDWFV-ZIAGYGMSSA-N 294.395 1.439 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCO1 262920707 KWIOLOBFTBDMLR-VPOLOUISSA-N 255.314 1.171 0 50 CDAA COc1cc(C)c(S(=O)(=O)NC[C@H]2CCCO2)cc1C 41095362 VUOLKBZORQZTMV-GFCCVEGCSA-N 299.392 1.769 0 50 CDAA O=C(c1ccc(=O)[nH]c1)N1CC[C@](O)(c2ccccc2)C1 221369661 SSHRIMLLPUHASB-MRXNPFEDSA-N 284.315 1.109 0 50 CDAA Cn1cncc1CN[C@H]1CCN(Cc2ccccc2)C1=O 263865417 YHJUAHLEPJCURJ-HNNXBMFYSA-N 284.363 1.311 0 50 CDAA Cc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)c(=O)n1C 426490686 WWCRBMOUWOZDHK-LBPRGKRZSA-N 285.347 1.922 0 50 CDAA CCc1ccc(C(=O)NCCc2nncn2C(C)C)[nH]1 426518454 YVHRIMSMEYVNFW-UHFFFAOYSA-N 275.356 1.722 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)c1n[nH]c(C)c1Cl 426530400 KAVUGNABHXAZMT-ZETCQYMHSA-N 282.735 1.474 0 50 CDAA C[C@@H]1CN(c2ccc(Cl)c(C(=O)O)n2)C[C@]1(C)O 92038986 FMDZKDZOXOMCJN-KRTXAFLBSA-N 270.716 1.640 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@@H](CN)C1 178524009 UACIZDJYLONTGG-LBPRGKRZSA-N 262.353 1.435 0 50 CDAA NC(=O)CN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 91519334 OWPADMRJUGGQBP-DZGCQCFKSA-N 291.370 1.207 0 50 CDAA CN(C)c1ncc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)cn1 529030068 NNILDBXNFHNVLB-YMTOWFKASA-N 291.355 1.232 0 50 CDAA CCCCSc1nc(N)cc(N(C)CCO)n1 95361570 UDRUJEYCXJKPIN-UHFFFAOYSA-N 256.375 1.380 0 50 CDAA COc1cccn(Cc2cc(=O)n3cccc(C)c3n2)c1=O 95519114 MHJUJXNBULVGKR-UHFFFAOYSA-N 297.314 1.222 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)[nH]n1 92020253 LVVUUPYBOCRXJJ-BMIGLBTASA-N 277.368 1.766 0 50 CDAA NC(=O)c1noc(CN2CCCC[C@@H]2c2ccccn2)n1 244690838 IXXAEGUVYNMDKF-LLVKDONJSA-N 287.323 1.291 0 50 CDAA Cc1cccn(CC(=O)N2CCC[C@@H](C)CC2)c1=O 180081684 ZRZSJNNOLMPOQT-GFCCVEGCSA-N 262.353 1.805 0 50 CDAA C[C@H](NC(=O)c1nccn1C)c1nncn1C1CCCC1 252482158 CZTSCVZHHCPDBY-JTQLQIEISA-N 288.355 1.618 0 50 CDAA Cc1nc([C@H](C)Sc2nc(N)cc(N)n2)no1 253430947 GFWNYKVEODFNBE-BYPYZUCNSA-N 252.303 1.186 0 50 CDAA O=C(c1sccc1Cl)N1CCCn2nnnc21 297629370 BWYLWENSYDHIGU-UHFFFAOYSA-N 269.717 1.439 0 50 CDAA C[C@@H]1CN(C(=O)Cn2ccc3sccc3c2=O)CCO1 182935265 ZKPHWECUVRJGGK-SNVBAGLBSA-N 292.360 1.310 0 50 CDAA CNc1cc([C@H]2C[C@@H](NC(=O)c3cccc(O)n3)C2)ncn1 253535187 GOWJSYCLJDROOF-AOOOYVTPSA-N 299.334 1.295 0 50 CDAA CS(=O)(=O)CCC(=O)N(Cc1ccccn1)C1CC1 358431450 UCKHPTJVMZEYDH-UHFFFAOYSA-N 282.365 1.007 0 50 CDAA Cc1cnc([C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)[nH]1 534653723 GPIDHTWNBLMHEK-SECBINFHSA-N 297.384 1.108 0 50 CDAA Cc1cccc([C@@H](C)C(=O)N2CCOC[C@H]2C(=O)O)c1 299752655 UWUNTURQKBTLJC-YPMHNXCESA-N 277.320 1.411 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)c(C)o1 299744995 QOODBHDYKPQBLL-LBPRGKRZSA-N 274.324 1.793 0 50 CDAA CN(C)[C@@H]1C[C@H]2C(=O)Nc3ccc(Cl)cc3C(=O)N2C1 534592160 PLWCHDFXQMKUOG-SKDRFNHKSA-N 293.754 1.437 0 50 CDAA C[C@H](C(=O)O)n1cc(-c2ccc3c(c2)OCO3)cn1 534648724 FVJLHYDYCDVBCH-MRVPVSSYSA-N 260.249 1.924 0 50 CDAA C[C@H]1CCCCN1C1CN(Cc2cccc(C(=O)O)n2)C1 534656655 PYUGLHFXCSATNU-LBPRGKRZSA-N 289.379 1.838 0 50 CDAA Cc1c(Cl)c(C(=O)Nc2ccnc(O)c2)nn1C 1940197481 UDWKIARMSZETBH-UHFFFAOYSA-N 266.688 1.735 0 50 CDAA O=C(O)c1nn(CCc2ccccc2)c2c1C[C@H](O)CC2 828637006 UIBFGZSGIOPVDR-GFCCVEGCSA-N 286.331 1.674 0 50 CDAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](O)CC2 823133045 HOFDYKYRAQWWCW-CYBMUJFWSA-N 299.374 1.531 0 50 CDAA CN1CCC[C@@H](Nc2ncccc2C(=O)N2CCCC2)C1 823771466 OINDYGNZFCRATG-CYBMUJFWSA-N 288.395 1.824 0 50 CDAA C[C@@H](NC(=O)c1cn(C)c(=O)nc1O)C1=CCCCC1 820723394 UTJHTFHYQJRXMV-SECBINFHSA-N 277.324 1.105 0 50 CDAA Cc1c(C(=O)NCCCN2CCCC[C@H]2CO)ccn1C 584896403 YESBDGAYDUTXEE-AWEZNQCLSA-N 293.411 1.300 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCCCn2ccccc2=O)n1 670450634 SVPOOLGUHUSOKT-AWEZNQCLSA-N 288.395 1.730 0 50 CDAA Cc1cc(C)n([C@H](C)CNC(=O)N(C)Cc2ncon2)n1 584895488 UWZPWWBHMIYVGV-LLVKDONJSA-N 292.343 1.286 0 50 CDAA Cc1cc(=O)cc(C(=O)NCCc2nccs2)o1 584895383 YPHZQXOYNKZDJS-UHFFFAOYSA-N 264.306 1.377 0 50 CDAA Cc1nncn1CCN1CC[C@H](O)CC(C)(C)C1 670456072 XHTKIKMAESTZCX-LBPRGKRZSA-N 252.362 1.069 0 50 CDAA CCCN1CCC[C@H](C(=O)N(C)CC(=O)OCC)C1 685944967 LLJPAGKTXDPXRQ-LBPRGKRZSA-N 270.373 1.130 0 50 CDAA C=CC(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1 1336679934 AFQLPTUFGDZIRB-SNVBAGLBSA-N 254.330 1.546 0 50 CDAA CC(C)n1nc(CC(N)=O)nc1[C@H]1C[C@H]2C=C[C@@H]1C2 1565509584 DLEXJJSPWGOEDP-AXFHLTTASA-N 260.341 1.566 0 50 CDAA COC[C@@]1(C)CN([C@H](C(=O)O)c2ccccc2)CCO1 629378332 DQBQABJXAOAPOA-DZGCQCFKSA-N 279.336 1.550 0 50 CDAA Cn1cccc1[C@H]1COCCN1C(=O)[C@@H]1CCCO1 163916572 ISLRMCUNLNGCCZ-OLZOCXBDSA-N 264.325 1.104 0 50 CDAA Cn1nc(C(F)(F)F)cc1CS(=O)(=O)[C@H]1CCOC1 899486534 HLKDERRLDLOKET-QMMMGPOBSA-N 298.286 1.143 0 50 CDAA C[C@H]1C[C@@H](O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1 170089353 DFFZAELOEFCIIA-GXFFZTMASA-N 289.310 1.607 0 50 CDAA CN1CCC[C@H]2CN(C(=O)c3c[nH]nc3C3CC3)CC[C@@H]21 187380247 GOJKHXYZKPUASE-JSGCOSHPSA-N 288.395 1.843 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(Cc2ccon2)CC1 188247799 QMJFPHXXCQMDMQ-JSGCOSHPSA-N 293.367 1.134 0 50 CDAA CCO[C@H]1C[C@@](CO)(NC(=O)C2CC=CC2)C1(C)C 188868430 HUEBLAJPGNPFQC-WFASDCNBSA-N 267.369 1.635 0 50 CDAA FC(F)(F)c1ccnc(CCNC2=NCCCN2)c1 566488986 RSWMCDDNBONZRG-UHFFFAOYSA-N 272.274 1.582 0 50 CDAA CC1(C)C(=O)Nc2ccc(C(=O)N3[C@H]4COC[C@H]3C4)cc21 582297469 UQOSLUPRQFPYLP-GHMZBOCLSA-N 286.331 1.530 0 50 CDAA Cc1cc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c(C)o1 583617719 IJSRVQJYGKIYID-CQSZACIVSA-N 290.323 1.138 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)[C@H]1CCCCO1 583623940 YWIBQHBTRGXGTR-NWDGAFQWSA-N 263.341 1.131 0 50 CDAA C[C@H]1C[C@H](C(=O)N2CC(N3CCOCC3)C2)CC(C)(C)C1 585130401 OZSWSVYSPNNSMS-KBPBESRZSA-N 294.439 1.992 0 50 CDAA CN1CCCC[C@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 97675482 CKUGCDUQQNCSNU-ZDUSSCGKSA-N 276.384 1.600 0 50 CDAA NC[C@@H](C(=O)NCc1cncc(O)c1)C1CCCCCC1 1615549393 VUPJDRWTOBBJOQ-OAHLLOKOSA-N 291.395 1.949 0 50 CDAA Fc1cnc(N2CC[C@H](n3cc(C4CC4)nn3)C2)nc1 1615612733 MHHCHDQAAZQTFI-NSHDSACASA-N 274.303 1.536 0 50 CDAA O=C(c1cc(N2CCCC2)ccn1)N1CCC12COC2 1615621325 NGDSNIGSLQRKIQ-UHFFFAOYSA-N 273.336 1.297 0 50 CDAA CNc1nc(N[C@H]2CCC[C@@H]2N(C)C)ncc1F 1615750704 JLHAGTHIMLJJFB-UWVGGRQHSA-N 253.325 1.552 0 50 CDAA O=C(c1cc(O)nc2ccccc12)N1CCn2nccc2C1 1640947134 POEJPKJWDHNSIS-UHFFFAOYSA-N 294.314 1.793 0 50 CDAA CCCCOC(=O)[C@H]1C[N@]1C(C)(C)C(=O)OCC 1857666627 PCEYMUABFCOYQS-YGRLFVJLSA-N 257.330 1.356 0 50 CDAA Cc1cnccc1N1CCN([C@H]2CN3CCC2CC3)CC1 1506419030 XNUMNFGZGNIDHD-KRWDZBQOSA-N 286.423 1.606 0 50 CDAA O=C(CCC(F)(F)F)N[C@H]1CCCS(=O)(=O)C1 408246091 ZCWITIADHDUSGZ-ZETCQYMHSA-N 273.276 1.022 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3c(C)n[nH]c3C)C[C@@H]2O)n[nH]1 1529168236 YHGGKPNSTPDPDU-DOMZBBRYSA-N 289.383 1.093 0 50 CDAA CN(C)c1nc2c(c(NCCn3cccn3)n1)CCCC2 1529196382 ZAANAUAIOWRANC-UHFFFAOYSA-N 286.383 1.730 0 50 CDAA CC(C)N1CCC[C@@H]1C(=O)N1CC(OC(F)F)C1 935530765 PXXHKQWQVJXMEZ-SNVBAGLBSA-N 262.300 1.309 0 50 CDAA Cc1cc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)on1 1704344085 NUXLNPIEXKGXJN-HUUCEWRRSA-N 279.384 1.262 0 50 CDAA O=C(O)C[C@@H]1N=C(S)N(c2ccccc2)C1=O 5933819 NFUCNAREVSTFNC-QMMMGPOBSA-N 250.279 1.162 0 50 CDAA in-vitro CC(C)CN1CC[C@@H](C(=O)N2CCC[C@@H]2C(=O)O)C1 236784864 QYWYWHBTANUTGW-VXGBXAGGSA-N 268.357 1.040 0 50 CDAA O=C([C@H]1CCCCO1)N1CCOC[C@@H]1C1CCC1 335407112 URLNGJUOGPUANW-CHWSQXEVSA-N 253.342 1.583 0 50 CDAA Cc1cc(CC(=O)N2CC[C@H](O)CC23CCC3)on1 578368534 VLTYECJBLQIHTK-NSHDSACASA-N 264.325 1.432 0 50 CDAA CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1 545998 VBMTUJGJUUIGRN-UHFFFAOYSA-N 293.326 1.960 0 50 CDAA CN(C)c1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1 15074160 RIGQQFGZANSPRS-CQSZACIVSA-N 290.411 1.752 0 50 CDAA CC[C@@H](C)NS(=O)(=O)c1csc(C(=O)O)c1 16622569 KCBZUVACBZQYIQ-ZCFIWIBFSA-N 263.340 1.523 0 50 CDAA Cc1ccccc1C(=O)NCCCNC(=O)c1cccnc1 4487318 QBDRQEVNMKTKBZ-UHFFFAOYSA-N 297.358 1.940 0 50 CDAA COc1ccc(C(=O)N2C[C@@H](O)[C@H](F)C2)c(C)c1 1857683888 QAWSOMPIWUONSB-VXGBXAGGSA-N 253.273 1.158 0 50 CDAA CN(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 155623 ZBJPWSYUZNLAFO-UHFFFAOYSA-N 279.317 1.545 0 50 CDAA in-vitro OC[C@@H]1C[C@H](F)CN1Cc1nc(-c2ccccc2)no1 332176860 UOOFWYQXVPRKNR-RYUDHWBXSA-N 277.299 1.641 0 50 CDAA C[C@H]1CCCN1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 237576451 PKALSIWDPOVLNL-JSGCOSHPSA-N 290.363 1.283 0 50 CDAA O=S(=O)(c1ccccc1)n1ccc2cncnc21 238790016 KRDVTTFTHMIQDI-UHFFFAOYSA-N 259.290 1.668 0 50 CDAA in-vitro C[C@@H]1CN(C[C@@H](O)COC2CCCCC2)C[C@@H](C)O1 12414139 WRNHQEHAJUBKFK-MGPQQGTHSA-N 271.401 1.806 0 50 CDAA Cc1nnc(N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)o1 343245032 RUNWLJNHUJQQOI-SKDRFNHKSA-N 281.262 1.969 0 50 CDAA C[C@H]1CN(C(=O)N(C)C2CCCC2)C[C@]2(CCOC2)O1 253397948 HFCJQDCHJDMKDN-WFASDCNBSA-N 282.384 1.861 0 50 CDAA CN(C)c1nccc(N2CC[C@](CO)(c3ccccc3)C2)n1 360046762 HZMLEQLLBBXHMO-KRWDZBQOSA-N 298.390 1.683 0 50 CDAA CCn1cc(CC(=O)N2CCC[C@@H]2C(N)=O)c2ccccc21 154534406 BIDWFDIZEAJDGA-OAHLLOKOSA-N 299.374 1.680 0 50 CDAA C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(-n2cccn2)cc1 262410091 NXEQXODIOZPJIC-LEWSCRJBSA-N 299.330 1.770 0 50 CDAA C[C@@](NC(=O)c1ccncc1)(C(N)=O)c1ccccc1 163004131 IUUBNJJLZBNSNC-HNNXBMFYSA-N 269.304 1.212 0 50 CDAA O=C(Nc1ccccc1-n1cnnn1)[C@@H]1CCO[C@H]1C1CC1 902661072 OEJYHIVSLAKAOY-RISCZKNCSA-N 299.334 1.416 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)c2csc(C3CC3)n2)CCO1 124743561 JAYCFDBIMMTOSI-SECBINFHSA-N 296.348 1.336 0 50 CDAA C[C@@H]1OCC[C@@H]1NC(=O)NCc1nccc2c1CCCC2 921704435 ALPCGYNSTYOVIE-FZMZJTMJSA-N 289.379 1.937 0 50 CDAA CCn1ncc(CN[C@H]2CCN(Cc3ccccc3)C2=O)n1 838923946 IXAVLGSJNAAFHH-HNNXBMFYSA-N 299.378 1.189 0 50 CDAA CCN(CC(=O)NC)C(=O)c1ccc(F)c2occc12 932705677 JREXCLAJELHJSO-UHFFFAOYSA-N 278.283 1.780 0 50 CDAA OC[C@@]12COCCN1CCN(Cc1ccc(Cl)cc1)C2 952994308 ZEEWBHQPNRUAIE-HNNXBMFYSA-N 296.798 1.219 0 50 CDAA CC(C)c1ccccc1NC(=O)N1C[C@H](N)[C@H]2COC[C@H]21 1875291016 LORJBLCHFPWXMG-VNHYZAJKSA-N 289.379 2.000 0 50 CDAA O=C(NO[C@H]1CCOC1)[C@H]1CSc2ccccc21 1875259114 ABPWFVPUMJRDMC-ONGXEEELSA-N 265.334 1.713 0 50 CDAA Cc1noc(C2(NS(=O)(=O)[C@]3(C)C[C@H]3C)CC2)n1 1875396691 RCFZVYYFRHTMKO-GMSGAONNSA-N 271.342 1.085 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C(C)(C)C2)no1 888398339 YULSMMYPUVKIFE-SECBINFHSA-N 286.353 1.069 0 50 CDAA Cc1nc(CN[C@]2(CCO)CCOC2)sc1C 894069657 FLZDPZMYXNIGFD-GFCCVEGCSA-N 256.371 1.391 0 50 CDAA CO[C@@H]1COC[C@@H]1NC(=O)NCC[C@@H]1CCC(F)(F)C1 895331709 WBANPJRQCKZZSQ-GARJFASQSA-N 292.326 1.525 0 50 CDAA Cc1ncccc1C(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961737 WFGPLCRFWZABSU-PWSUYJOCSA-N 287.323 1.158 0 50 CDAA Cc1cc(=NC(=O)N2C[C@H](N)C3(CCC3)C2)c(C)c[nH]1 1775962665 YYNHRYJARCYZRT-ZDUSSCGKSA-N 274.368 1.465 0 50 CDAA COc1cccc(/C(C)=C/C(=O)N=[S@](C)(=O)CCO)c1 1776005669 HGYDAEJPUNZGDG-WAEYIKQSSA-N 297.376 1.715 0 50 CDAA O=C(O)[C@H]1CC12CCN(C(=O)CC[C@H]1CCCO1)CC2 262477695 TXXYLOMHCHZXPU-VXGBXAGGSA-N 281.352 1.659 0 50 CDAA COc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263349503 VEFUBHPZYKUPHA-OTSSQURYSA-N 283.711 1.942 0 50 CDAA O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1ccco1 188709043 JLXAKNUWHHXVGE-YPMHNXCESA-N 279.317 1.216 0 50 CDAA C[C@H](N)[C@@H](C)C(=O)N1CCO[C@H](c2cccs2)C1 192021646 KNRHXPRXHHUKOF-VWYCJHECSA-N 268.382 1.631 0 50 CDAA COC1(CC(=O)N2C[C@H]3CCC[C@]3(N)C2)CCC1 638442131 OYBBGSSQDIWSLF-RISCZKNCSA-N 252.358 1.285 0 50 CDAA CN(CCOc1ccccc1Cl)Cc1cn(C)nn1 341624793 UMXNJABKTGZZGC-UHFFFAOYSA-N 280.759 1.979 0 50 CDAA Cn1nccc1C1CCN(C[C@](C)(O)C(F)(F)F)CC1 366838182 BQODVLYZKPEVHJ-LBPRGKRZSA-N 291.317 1.913 0 50 CDAA O=C(CCc1nc(O)n[nH]1)N1CCC[C@H]1c1cccnc1 2100482366 UFJFZRJBDKNIQW-NSHDSACASA-N 287.323 1.202 0 50 CDAA Cn1cc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3N2)c(OC2CCC2)n1 2325789373 LWYHDTQGAYFZJR-LSJOCFKGSA-N 276.340 1.040 0 50 CDAA Cn1nc(C(F)F)cc1C(=O)NCc1coc(Cl)n1 2325802130 JTEJPTPKEBMOPS-UHFFFAOYSA-N 290.657 1.929 0 50 CDAA OCC12[C@H]3CC(C[C@H]31)[C@H]2Nc1cc(-c2ncccn2)ncn1 2325809733 CQVVUKLWGSZPFL-ZYPOPQTISA-N 295.346 1.362 0 50 CDAA CC(=O)Nc1ccc(I)cn1 1403412 KUSIBMGCSKLUCE-UHFFFAOYSA-N 262.050 1.645 0 50 CDAA C1CC[C@H]2OCCOCCOCCOCCO[C@@H]2C1 4262182 GQRWGIWRQMNZNT-ZIAGYGMSSA-N 274.357 1.394 0 50 CDAA CC(C)(C)OC(=O)NC1(C(=O)O)CCC(O)CC1 4284387 DRBVVUBYEBFRKS-UHFFFAOYSA-N 259.302 1.269 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccncc1F 4541970 FWWWFLPRRWNLSU-SNVBAGLBSA-N 265.244 1.022 0 50 CDAA Cn1c(=O)n(C)c2cc(CNC[C@H]3CCCO3)ccc21 6678555 JKZACAYIDAUPLN-GFCCVEGCSA-N 275.352 1.146 0 50 CDAA CCN(CC)C(=O)CS(=O)(=O)c1ccccc1 6937648 KEAACMAWBWZGJR-UHFFFAOYSA-N 255.339 1.329 0 50 CDAA CCc1nc2[nH]c(C)c(Cc3ccccc3)c(=O)n2n1 101470312 OYQHBVGYJVNCLO-UHFFFAOYSA-N 268.320 1.879 0 50 CDAA COC(=O)/C=C(\C)N[C@H](C(=O)O)c1ccc(O)cc1 100024138 VXLHFWHJVCLKPT-GUOLPTJISA-N 265.265 1.184 0 50 CDAA CC(C)NC(=O)c1c(O)c2ccccc2n(C)c1=O 100700557 VMLIMYHKBQUIGX-UHFFFAOYSA-N 260.293 1.382 0 50 CDAA biogenic Cc1cc(C)c(C)c(C(=O)NCCN2CCNC2=O)c1C 55393697 CVMWRXITEAIFNH-UHFFFAOYSA-N 289.379 1.675 0 50 CDAA Cc1cc(C)n(CCNC(=O)c2ncoc2C2CC2)n1 20210290 PHLYPSJHFKWEDZ-UHFFFAOYSA-N 274.324 1.795 0 50 CDAA Cc1cc(-n2cnnc2CN2CCCCC2)n(C)n1 67774310 CKHACFOMFRTGTI-UHFFFAOYSA-N 260.345 1.295 0 50 CDAA Cc1nnc(CN(C)C(=O)CCN2CCC[C@H](C)C2)o1 20862037 JHHICFDDYBTDCX-NSHDSACASA-N 280.372 1.458 0 50 CDAA CCOCC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67955888 WNDXKPMBDFTSLK-UHFFFAOYSA-N 263.341 1.653 0 50 CDAA CC(C)CN1CCO[C@@H](CCNC(=O)c2ccc[nH]2)C1 67804575 JPZWZLJLTBKUHH-ZDUSSCGKSA-N 279.384 1.491 0 50 CDAA CSc1ccc(CC(=O)NC[C@@H]2CN(C)CCO2)cc1 116739849 IULHODBFQXTUHS-CYBMUJFWSA-N 294.420 1.398 0 50 CDAA CCc1cnc(C)nc1NCCNC(=O)c1ccncc1 65371036 BNGZMZUSGDCSFC-UHFFFAOYSA-N 285.351 1.584 0 50 CDAA Cc1nc(SCC(=O)Nc2nncs2)oc1C 32693018 SGXQJIFHOQVPDS-UHFFFAOYSA-N 270.339 1.874 0 50 CDAA O=C1NC2(CCSCC2)C(=O)N1c1nccs1 349251559 NYFXMMGFEAXCHE-UHFFFAOYSA-N 269.351 1.465 0 50 CDAA N#Cc1cc2c(=O)n(C[C@H]3CCCCO3)ccc2[nH]c1=O 67895928 DBUACICIVULAEM-LLVKDONJSA-N 285.303 1.131 0 50 CDAA COc1ccnc(N2CCC(c3cnc[nH]3)CC2)n1 328587604 CVEOUQGIOUJVCL-UHFFFAOYSA-N 259.313 1.592 0 50 CDAA O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN2)cc1 66323514 OASWAUFWLHENJR-ZDUSSCGKSA-N 260.337 1.710 0 50 CDAA CN1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1=O 252552869 VCMIACGAQRATBG-UHFFFAOYSA-N 299.374 1.791 0 50 CDAA CC(C)[C@H](N)C(=O)Nc1c[nH]cc(Br)c1=O 423756820 BTKQJEOAPUXUPZ-QMMMGPOBSA-N 288.145 1.059 0 50 CDAA COC[C@H]1CCCCN(Cc2ncnn2CCF)C1 253429053 BYJRYCPYNISLPZ-LBPRGKRZSA-N 270.352 1.496 0 50 CDAA COC[C@H](O)CN(C)[C@@H](C)c1nc(C(C)(C)C)no1 229719587 GQJVQDFYWZUSSS-VHSXEESVSA-N 271.361 1.367 0 50 CDAA Cn1cccc(NC(=O)C(=O)NC2(C)CCCCC2)c1=O 170609817 JYOZNIHDFKRIIY-UHFFFAOYSA-N 291.351 1.163 0 50 CDAA CN1C[C@@H](CNCc2ccnn2C)Cc2ccccc21 253433375 WFDOBDMUFSUYRW-CYBMUJFWSA-N 270.380 1.818 0 50 CDAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@H]1CCSC1 328616831 CCNQORANTCQEIV-OBJOEFQTSA-N 281.425 1.962 0 50 CDAA CN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1=O 153004693 RUOZAJDUNMZHDY-MGPQQGTHSA-N 278.396 1.894 0 50 CDAA CSCC[C@@H](O)C(=O)N(C)CCc1c(C)n[nH]c1C 216091968 YWXQGPAAPKDBCR-GFCCVEGCSA-N 285.413 1.141 0 50 CDAA COC(=O)C1(O)CCN(C(=O)CSC(C)(C)C)CC1 366630222 LSWXPTGQQMBUHP-UHFFFAOYSA-N 289.397 1.045 0 50 CDAA CCc1nn(C)c(Cl)c1CN(C)Cc1ncc[nH]1 215839474 YVAFTTOVUXQRBB-UHFFFAOYSA-N 267.764 1.991 0 50 CDAA NCC1(C(=O)NCCSCC2CC2)CCCC1 170677894 PWMUBCSGEMCUKL-UHFFFAOYSA-N 256.415 1.765 0 50 CDAA C[C@H]1CNCCN1C(=O)c1cnc(-c2ncccn2)s1 125719836 AUYSESBPXPEREV-VIFPVBQESA-N 289.364 1.034 0 50 CDAA CCn1ccnc1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 331333801 POVXLRYGWLDPTQ-NSHDSACASA-N 292.383 1.166 0 50 CDAA CC(C)(C)NC(=O)CNc1cc(C2CC(O)C2)ncn1 219950752 MQZQZTONVIMWIE-UHFFFAOYSA-N 278.356 1.042 0 50 CDAA O=C(O)c1cccc(OCCN[C@H]2CCCOC2)c1 236466664 PHFUOPRXXUWLKO-LBPRGKRZSA-N 265.309 1.532 0 50 CDAA C[C@@H](C(=O)N1CC(=O)N[C@H](C)C1)c1ccc(Cl)s1 334545907 JXXXUBWHRIJTGU-HTQZYQBOSA-N 286.784 1.852 0 50 CDAA Cc1cc(CNc2cc(C3CC(N)C3)ncn2)no1 223015498 BWNPRSBNZIMMNL-UHFFFAOYSA-N 259.313 1.590 0 50 CDAA CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 222260882 ABCXVVRWQPUMAL-SYQHCUMBSA-N 283.283 1.332 0 50 CDAA CCc1cc(C(=O)NC[C@@]2(C)CCC(=O)N2)ccc1O 457207634 DCUPWCWKMKBWEY-OAHLLOKOSA-N 276.336 1.353 0 50 CDAA Cc1cnc(NC[C@H](CO)[C@@H]2CCOC2)nc1C 281043117 RLGRFQWKPOELHO-VXGBXAGGSA-N 251.330 1.150 0 50 CDAA Cc1n[nH]cc1-c1ncc(F)c(N2CCOCC2)n1 426613024 XPANDLNVSVKOES-UHFFFAOYSA-N 263.276 1.151 0 50 CDAA O=C(NCCCCCN1CCOCC1)c1ccncc1O 222392873 JYUZNBJTMVRMAW-UHFFFAOYSA-N 293.367 1.020 0 50 CDAA CCNC(=O)NCCNC(=O)Nc1ccc(OC)cc1 521394568 MVZSXKRFTQCSDO-UHFFFAOYSA-N 280.328 1.136 0 50 CDAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 229816062 PUXNVIYZQBQORD-SYQHCUMBSA-N 283.283 1.332 0 50 CDAA O=C(O)CCCC(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 426518663 CWAGWVNSAGOSEB-GRYCIOLGSA-N 251.326 1.960 0 50 CDAA CCCc1nc(CN2CCC[C@@H]2c2nc(N)n(C)n2)no1 284428553 YJHOLOSBTQAPJC-SECBINFHSA-N 291.359 1.070 0 50 CDAA Cc1cc(F)ccc1-c1nc2c(c(O)nc(=O)n2C)n1C 426627813 OVSMIBCEBPBEHC-UHFFFAOYSA-N 288.282 1.487 0 50 CDAA CC[C@@H](Sc1nnc(CN)n1C)C(=O)NC(C)(C)C 426634050 UCLGRLPDFYOKPO-MRVPVSSYSA-N 285.417 1.059 0 50 CDAA C[C@@H](c1ccon1)N(C)Cc1cnn(CCC(=O)O)c1 97815558 GMGOEDKZMUCCLO-JTQLQIEISA-N 278.312 1.539 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)N1CC=C[C@H]1CO 91645456 JRPWJLQHSNVXTR-JTQLQIEISA-N 266.366 1.948 0 50 CDAA COCCCNC(=O)CN1CCS[C@@H]2CCCC[C@@H]21 176928479 VWAYERBHOGOFSH-QWHCGFSZSA-N 286.441 1.499 0 50 CDAA CSc1ncc(C(=O)N2CC[C@](C)(O)C(C)(C)C2)cn1 91944014 MKVSIOXZFKDVKU-AWEZNQCLSA-N 295.408 1.822 0 50 CDAA Cc1cc(=O)cc(C(=O)NC[C@@H]2COc3ccccc3C2)o1 95498593 DQLYSIUJJJPSQV-GFCCVEGCSA-N 299.326 1.929 0 50 CDAA Cc1nn(C)c2nc(N(C)C[C@H]3COCCO3)sc12 95510013 RIYFMJPMLQPUBM-VIFPVBQESA-N 282.369 1.190 0 50 CDAA CC[C@H]1C(=O)NCCN1C(=O)c1cnc(C)c(C)c1 97773021 BEHZUBZWUPPAOS-LBPRGKRZSA-N 261.325 1.049 0 50 CDAA CSCc1noc(Cn2ncc3ccccc3c2=O)n1 96151824 STFNPOGCAPGWNN-UHFFFAOYSA-N 288.332 1.691 0 50 CDAA CC(C)[C@H]1C=CCN1C(=O)c1cnc(C2CC2)[nH]c1=O 91617038 ALAUSEPTVHUYTC-GFCCVEGCSA-N 273.336 1.684 0 50 CDAA O=C(Nc1cccc(-n2ccnn2)c1)N[C@H]1CCCOC1 178241297 UPKCAHHAKYMISP-LBPRGKRZSA-N 287.323 1.568 0 50 CDAA C[C@H]1CS(=O)(=O)CCN1Cc1nc(C2CCCC2)no1 178707493 SWHDDJPHPQFULO-JTQLQIEISA-N 299.396 1.346 0 50 CDAA Cc1nc(NC(=O)N[C@@]2(CO)CCOC2)sc1C 183053455 WKQSAHJIRHDTOH-LLVKDONJSA-N 271.342 1.033 0 50 CDAA C[C@@]1(O)CCCN(C(=O)NC2CCN(CC3CC3)CC2)C1 179509575 OEHUTCZFJBBVSY-MRXNPFEDSA-N 295.427 1.417 0 50 CDAA CN(C)c1ncccc1O[C@@H]1CCN(c2cnccn2)C1 292974699 FBTJBSBRURWYOW-GFCCVEGCSA-N 285.351 1.595 0 50 CDAA Cn1cc(Cl)cc1C(=O)NCC[C@H]1CCOC1 344738764 WQFTWOIEKPUSPK-VIFPVBQESA-N 256.733 1.835 0 50 CDAA COc1nccc(CN[C@@H]2CCCC23CCOCC3)n1 296880451 PUQPDHLVJJBIJR-CYBMUJFWSA-N 277.368 1.924 0 50 CDAA O=C(c1ccsc1)N1CCCN([C@@H]2CCOC2)CC1 268112018 MHAZVUCILJCWSC-CYBMUJFWSA-N 280.393 1.685 0 50 CDAA Cc1cc(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)nc(C)n1 299744277 RRNSXDCHHRRTPL-RKDXNWHRSA-N 288.273 1.193 0 50 CDAA O=S(=O)(NCc1ccc2c(c1)CCCO2)N1CCCC1 534649290 HJHXCVCWORCOJM-UHFFFAOYSA-N 296.392 1.442 0 50 CDAA COc1ccnc(N2CCC[C@H](c3n[nH]c(C)n3)C2)n1 268380501 JGUJGZLJYBRGHF-JTQLQIEISA-N 274.328 1.296 0 50 CDAA Cc1noc([C@H]2CN(C(=O)c3cc(F)c[nH]3)C[C@@H](C)O2)n1 628859086 JZUKHWGKVFTWLA-RDDDGLTNSA-N 294.286 1.447 0 50 CDAA CSCC[C@H](N)C(=O)N(C)Cc1cc(C(C)C)no1 299785455 RGEGPQOATGCAKW-NSHDSACASA-N 285.413 1.837 0 50 CDAA CS(=O)(=O)c1cnn(-c2ccc(F)cc2C=O)c1 725252932 ZHUJOJPAJUIOCB-UHFFFAOYSA-N 268.269 1.227 0 50 CDAA C[C@H](CN1CCc2ccccc2C1)NCc1nc(O)n[nH]1 821294794 IZJVUKUTFCPEFW-LLVKDONJSA-N 287.367 1.047 0 50 CDAA COc1coc(CN(C)CCC2(O)CCCC2)cc1=O 670457198 ADXMNRRADCMEFX-UHFFFAOYSA-N 281.352 1.775 0 50 CDAA COCC1(CNC(=O)c2ccncc2O)CCC1 385786148 YHRPCBSQABQULS-UHFFFAOYSA-N 250.298 1.334 0 50 CDAA C[C@H]1C[C@H]1n1c(-c2cnccn2)nnc1N1CCCC1 1411714884 GIWMJPGAJGQSHA-CMPLNLGQSA-N 270.340 1.916 0 50 CDAA Cn1ncc2c(NCc3cnn4c3CCCC4)ncnc21 1339840986 OYPXXPZMYMPUDD-UHFFFAOYSA-N 283.339 1.508 0 50 CDAA Cc1cnc(N2CCC(O)(c3nccn3C)CC2)nc1 1548485603 LYAGHXHKOJNOBO-UHFFFAOYSA-N 273.340 1.007 0 50 CDAA O=C1N[C@H](c2nc(-c3cccnn3)no2)Cc2ccccc21 95501035 PYMPKJAHEWJKFK-LBPRGKRZSA-N 293.286 1.554 0 50 CDAA C[C@H]1CCC[C@H](CC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1 408037821 HXFITNAITBGHIX-QNWHQSFQSA-N 266.385 1.783 0 50 CDAA CC(C)[C@@H]1OCC[C@H]1CNCc1cc(C(=O)O)nn1C 635307565 ARAKWZRUOVKCIS-GWCFXTLKSA-N 281.356 1.269 0 50 CDAA N[C@H](CC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 188650493 KBSRYAOPMIXBHA-QGZVFWFLSA-N 295.386 1.996 0 50 CDAA CC/C=C/CCN1CCC[C@](O)(CC(=O)NC)C1 643817695 ZQSHYGAXDMRTLJ-NNTXTVRGSA-N 254.374 1.306 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1oc(C)cc1C 643948960 BTAMXGWETGQWCZ-HNNXBMFYSA-N 294.351 1.264 0 50 CDAA CC(=O)Nc1nc(CN2[C@@H](C)CC(O)C[C@@H]2C)cs1 191260941 CPYHLSPLLUZASU-IUCAKERBSA-N 283.397 1.835 0 50 CDAA Cc1cc(C(=O)N2CCC([C@H](C)CO)CC2)ns1 652854046 FSMUKCKNEZWMQO-SECBINFHSA-N 268.382 1.932 0 50 CDAA COCc1ccc(CN2CC[C@](O)(c3cnn[nH]3)C2)cc1 583615472 FAAHSCPKDIQRDW-OAHLLOKOSA-N 288.351 1.045 0 50 CDAA O=C1CC[C@H](NC(=O)Nc2cc(F)cc(F)c2)CCN1 585087285 RYMFUPOVNLYHJU-JTQLQIEISA-N 283.278 1.755 0 50 CDAA CC[C@@H](N=c1ccc2nncn2[nH]1)[C@@H]1CCCCO1 585091313 FPTPHVQKGYGTRP-MNOVXSKESA-N 261.329 1.306 0 50 CDAA CN(CC(N)=O)c1nc(Cl)nc2c1CCCC2(C)C 585091289 VURGZHVIIAQYRC-UHFFFAOYSA-N 282.775 1.665 0 50 CDAA Cc1nc(NCCN2CCOCC2)c2ccsc2n1 1704336797 PGNLBPYACCEOKG-UHFFFAOYSA-N 278.381 1.744 0 50 CDAA CC1(CN2C[C@H](Cc3ccccn3)[C@@H](O)C2)CCOCC1 1613882201 ZSRXPLXFPVCQTL-HOCLYGCPSA-N 290.407 1.734 0 50 CDAA CNc1ccc(NC(=O)c2cnc(COC)s2)cn1 1615615905 ZERAXMMJWKTHQV-UHFFFAOYSA-N 278.337 1.979 0 50 CDAA CCCCn1nnnc1Cn1cc(-c2ccncc2)cn1 1616036482 NFONBELZZDFNBD-UHFFFAOYSA-N 283.339 1.780 0 50 CDAA O[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1Cc1cnccn1 1616081456 YOQHULBNCSHLEO-GWCFXTLKSA-N 290.754 1.565 0 50 CDAA CN(C)c1nc(N[C@H]2CCN(C(C)(C)C)C2)ncc1F 1506412480 DLIFEQFLXOPYEF-JTQLQIEISA-N 281.379 1.966 0 50 CDAA CC[C@H](C(=O)Nc1nnc2nc(C)ccn12)n1cccn1 1506418876 UJYQBJWMFAGYRM-SNVBAGLBSA-N 285.311 1.219 0 50 CDAA COCCN1CC[C@@H](CNc2cc(N)nc(SC)n2)C1 1529158728 JSYHBCXRQBLDRR-JTQLQIEISA-N 297.428 1.161 0 50 CDAA CCN1CCOC[C@H]1C(=O)NCc1nc(C)c(C)s1 330656319 LFXYDKJALGKNCA-NSHDSACASA-N 283.397 1.097 0 50 CDAA Cc1cc(=O)oc2ccn(Cc3ccco3)c(=O)c12 1547139146 KMYJMZJDJZOVDY-UHFFFAOYSA-N 257.245 1.904 0 50 CDAA NC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C(F)F)C1 334283000 YWDYKJMJIBIIKV-UWVGGRQHSA-N 289.326 1.423 0 50 CDAA COc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1OC 4988956 AVVRUCRJLFLQQK-GFCCVEGCSA-N 278.352 1.401 0 50 CDAA CCn1nnc(NC(=O)c2ccccc2Br)n1 557808 ZNVUKWQNGFEQKB-UHFFFAOYSA-N 296.128 1.708 0 50 CDAA COC(=O)c1cc(Br)c(O)c(OC)c1 21987938 UIWBPQDQVILUJA-UHFFFAOYSA-N 261.071 1.950 0 50 CDAA in-vitro 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1.349 0 50 CDAA Cc1[nH]c(=N)sc1C(=O)N1CC[C@@H](O)CC(C)(C)C1 395404351 UUJYJOUHGOTIIM-SECBINFHSA-N 283.397 1.487 0 50 CDAA CN1CC[C@H](O)[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 2100557455 SZVFROORWWGUMT-KGLIPLIRSA-N 296.798 1.311 0 50 CDAA OCc1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 643919592 FSKDSGIISKSIND-GFCCVEGCSA-N 265.700 1.695 0 50 CDAA C[C@H](NC(=O)c1cn(C2CCC2)nn1)c1ccncc1 2325754965 VIJFHUKVXYSSMX-JTQLQIEISA-N 271.324 1.889 0 50 CDAA CCCN1CCC[C@@H]1C(=O)N1CC(c2cc(C)on2)C1 2325796961 KXAIXUVZDSWSLY-CQSZACIVSA-N 277.368 1.783 0 50 CDAA CC1(NC(=O)CNC(=O)C(=O)C2CCCC2)CCCCC1 2325811385 VJUCSQVEOXPVHR-UHFFFAOYSA-N 294.395 1.701 0 50 CDAA COc1cc(OC)cc([C@H]2N[C@@H](C(=O)O)CS2)c1 102449 LDAFEDIBZPMXFT-MNOVXSKESA-N 269.322 1.492 0 50 CDAA COCc1nnc(NC(=O)Cc2cccs2)s1 249706 YTUAFMXNAZEHFJ-UHFFFAOYSA-N 269.351 1.927 0 50 CDAA CCc1nc2sc(C)c(C)c2c(=O)n1CCO 313884 YTSOBLBPMJXPNX-UHFFFAOYSA-N 252.339 1.630 0 50 CDAA CN(C)C(=O)CSc1nc2ccc(F)cc2[nH]1 381845 RBSJTQKVNYRPSJ-UHFFFAOYSA-N 253.302 1.882 0 50 CDAA O=C(NN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 434994 ITWDYXPISYFMNG-UHFFFAOYSA-N 284.246 1.767 0 50 CDAA CC1(C)C(c2ccccn2)=[N+]([O-])[C@H](c2cccnc2)N1O 437403 HERLXZLGBGRHMD-AWEZNQCLSA-N 284.319 1.958 0 50 CDAA CC(C)N(C[C@H](O)CN1C(=O)C(C)(C)N=C1O)C(C)C 1268785 KPHPLRCZTQMMLW-NSHDSACASA-N 285.388 1.001 0 50 CDAA CCCCNC(=O)N(O)[C@@H]1N(N)C(=S)SC1(C)C 3876661 HHZDJSJXPGMNID-ZETCQYMHSA-N 292.430 1.499 0 50 CDAA CC1(C(=O)NS(=O)(=O)c2cccc3cccnc23)CC1 120652203 WGVCUDYQBJAALD-UHFFFAOYSA-N 290.344 1.840 0 50 CDAA O=C(Nc1cnc2cc[nH]n2c1=O)c1ccccc1 100094139 OYCHDJNIXIWJLF-UHFFFAOYSA-N 254.249 1.275 0 50 CDAA CCc1ccccc1OCCN(C)C(=O)[C@H](C)NC(C)=O 55182589 HIDPGWHOAUYXRT-LBPRGKRZSA-N 292.379 1.611 0 50 CDAA Cc1ccc(S(=O)(=O)N2C(=O)[C@H]3C=C[C@H]2C3)cc1 101460118 LXJWTEPJMYAFKP-QWRGUYRKSA-N 263.318 1.471 0 50 CDAA CCc1cc(O)nc(CN2CC[C@H](c3nc(C)no3)C2)n1 346264217 GQDISFTUJJZLLU-JTQLQIEISA-N 289.339 1.426 0 50 CDAA Cn1ccnc1-c1ccc(N2CCC(CCO)CC2)nn1 67676049 PWVYEZVCWJBBDX-UHFFFAOYSA-N 287.367 1.476 0 50 CDAA 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N[C@@H]1CC12CC(NC(=O)c1ccc(F)c(O)c1F)C2 2325795101 FEALPEDPKISMFO-RIUAISMDSA-N 268.263 1.280 0 50 CDAA CC1(C)[C@@H](NC(=O)c2c[nH]nc2-c2ccoc2)C[C@H]1CN 2325800245 ZYJVSBUTAALPKG-JQWIXIFHSA-N 288.351 1.773 0 50 CDAA CC(C)N(C(=O)N1CCn2cncc2C1)C(C)C 72138842 DQGXZAQZFDMGSW-UHFFFAOYSA-N 250.346 1.938 0 50 CDAA CCCN1C(=O)/C(=C/c2cccc(O)c2OC)NC1=S 2332237310 RRGKAFHZCRYDCK-NTMALXAHSA-N 292.360 1.868 0 50 CDAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 379940 BAWIGQLCZFAUNM-SNVBAGLBSA-N 282.365 1.349 0 50 CDAA CS(=O)(=O)CCN1Cc2ccccc2CCC1=O 2356147271 OZEFNSPOZXVXRM-UHFFFAOYSA-N 267.350 1.006 0 50 CDAA CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1N 4032193 PNXCBMYVHBEZGP-UHFFFAOYSA-N 271.280 1.508 0 50 CDAA Cn1nnnc1SCCNCc1ccc(F)cc1 4998020 ZZCIUIBIJYJXAH-UHFFFAOYSA-N 267.333 1.231 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)c1cn2c(n1)C[C@H](C)CC2 864096805 ITURODSVWOMAJG-BDAKNGLRSA-N 265.313 1.011 0 50 CDAA COC(=O)[C@H]1C(=O)CC(=O)C[C@H]1c1cccs1 100096783 BGOFBJYATGXJII-GZMMTYOYSA-N 252.291 1.553 0 50 CDAA O=C(CCOc1ccccc1)NC[C@@H]1CCCOC1 55922038 CPZXTPJOPMZENJ-ZDUSSCGKSA-N 263.337 1.998 0 50 CDAA O=S1(=O)CCN(CCc2c(F)ccc(F)c2F)CC1 20388958 QAEBMZRILZKVNL-UHFFFAOYSA-N 293.310 1.377 0 50 CDAA COCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 114207492 UNLQJPNYVYPPSG-UHFFFAOYSA-N 273.329 1.735 0 50 CDAA COc1ncccc1-c1c(N2CCCC2)cnnc1O 67679218 GLTIOEWZVNYRCR-UHFFFAOYSA-N 272.308 1.853 0 50 CDAA C[C@@H](c1nnnn1C1CC1)N1CCOC[C@H](C2CCC2)C1 330278118 PFCBWNNPZASHKN-WCQYABFASA-N 291.399 1.818 0 50 CDAA CC(C)c1nc(CCNC(=O)c2cn[nH]c2)cs1 171015271 PUWKPQABSSGOHF-UHFFFAOYSA-N 264.354 1.962 0 50 CDAA O=C(NCCCN1CCCC1=O)c1cc(Cl)c[nH]1 25705444 LIGIQRREVSELAL-UHFFFAOYSA-N 269.732 1.410 0 50 CDAA CCC(CC)(OC)c1noc([C@@H]2CCNC(=O)C2)n1 350424616 WEUXBWPPRQOSCT-SECBINFHSA-N 267.329 1.725 0 50 CDAA O=C(NCc1cccc(-n2cccn2)c1)c1ccc(=O)[nH]c1 67655057 PUZISSYTMGROSE-UHFFFAOYSA-N 294.314 1.491 0 50 CDAA C[C@@H](c1ccccn1)N(C)C(=O)CCc1ccnn1C 121209656 KZBNKIBJKPHHIB-LBPRGKRZSA-N 272.352 1.967 0 50 CDAA CCCC[C@H](C)C(=O)NC[C@H]1CCCS1(=O)=O 337117140 ZSHJTGKMYFJESR-WDEREUQCSA-N 261.387 1.506 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)c1ccccc1F 237921345 OWYDTWTWLSRIER-CYZMBNFOSA-N 266.316 1.103 0 50 CDAA CCc1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1 284816848 LKXCGVAAJXLCDX-ZWNOBZJWSA-N 260.337 1.442 0 50 CDAA C[C@@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 34800306 BDVFVCGFMNCYPV-LLVKDONJSA-N 291.376 1.217 0 50 CDAA in-vivo CCN(C(=O)Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 77504946 QNGYFNYJIMPQCU-NSHDSACASA-N 287.406 1.326 0 50 CDAA CC(=O)N[C@@H](COC(C)=O)[C@H](OC(C)=O)c1ccccc1 71771166 XAZHLTMHHNBGPO-LSDHHAIUSA-N 293.319 1.359 0 50 CDAA Cc1ccc(C2CCN(S(C)(=O)=O)CC2)cn1 335988875 MPFNRZVQNPBMMO-UHFFFAOYSA-N 254.355 1.529 0 50 CDAA O=C(CCc1ccsc1)NCCC1(CO)CC1 456401442 AKNAOSXLTHIXGC-UHFFFAOYSA-N 253.367 1.960 0 50 CDAA Cn1nncc1C(=O)N1CCC[C@H](Nc2ccccc2)C1 253395540 WZFGQYDGUDSXMQ-ZDUSSCGKSA-N 285.351 1.532 0 50 CDAA Cc1ccc(CNc2nc(N)nc3[nH]ncc23)s1 32553346 AJMRDCNIYCCSHI-UHFFFAOYSA-N 260.326 1.917 0 50 CDAA Cc1c[nH]nc1CN1C[C@H](C)OC2(CCOCC2)C1 367972078 IEZKCBLATXVQKH-LBPRGKRZSA-N 265.357 1.488 0 50 CDAA C[C@H](C(=O)N1CCc2ccccc21)N1CC[C@@](C)(CN)C1 261719826 NHGWDTXZMHDDBD-DYVFJYSZSA-N 287.407 1.635 0 50 CDAA CC(C)c1cc(-c2nnc(CCC(=O)O)o2)nn1C 70453437 MTGGWCQDDIXFTO-UHFFFAOYSA-N 264.285 1.611 0 50 CDAA C[C@@H]1CN(C(=O)c2cccc(OCC(=O)O)c2)CCS1 262196001 UEBILZZEIXIOHJ-SNVBAGLBSA-N 295.360 1.728 0 50 CDAA O=C(O)c1cccc(CC(=O)N2C[C@H]3CC[C@H]2C3)c1 262184948 MVXHHCDNABKXSJ-AAEUAGOBSA-N 259.305 1.938 0 50 CDAA O=C(Cc1cccnc1)N[C@H]1CCOC2(CCOCC2)C1 215646826 NNGOCDMFAYVZQM-AWEZNQCLSA-N 290.363 1.469 0 50 CDAA Cn1ccnc1[C@H]1CCN(C(=O)/C=C/c2cccnc2)C1 374358258 KWSSUIPYXITKMZ-NNTXTVRGSA-N 282.347 1.844 0 50 CDAA Cc1ncc(C(=O)N[C@@H](C)[C@H](C)C(=O)O)c(C(C)C)n1 263492570 XCRFKXWFYFWYSH-IUCAKERBSA-N 279.340 1.747 0 50 CDAA O=C(c1ccco1)N1CCCC[C@@H]1CCN1CCOCC1 77426257 KJQKUYSNSBNUMQ-CQSZACIVSA-N 292.379 1.997 0 50 CDAA O=C(Nc1ccccc1)c1cn2c(n1)CCNCC2 1875248991 CLKVZLUFJPGYMY-UHFFFAOYSA-N 256.309 1.281 0 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278.356 1.057 0 50 CDAA Cc1cc(C)c(C)c(OCCN2CCN(CCO)CC2)c1 40456313 XHZUBJUBUOPGDV-UHFFFAOYSA-N 292.423 1.601 0 50 CDAA Cc1ncc(C(=O)N(C)[C@H]2CCNC2)c(C(C)C)n1 179114782 DZEDVMBEONTSML-NSHDSACASA-N 262.357 1.342 0 50 CDAA O=C(NCCc1ccccn1)N1CCSCC1 42963240 XXHMHYAUOXVCEY-UHFFFAOYSA-N 251.355 1.383 0 50 CDAA CCN1CCN(c2cc([C@H]3CCOC3)ncn2)CC1 426529376 ORFSIKYDHILTQA-LBPRGKRZSA-N 262.357 1.122 0 50 CDAA CCCc1nnc(N2CCN(CCSC)CC2)o1 95362605 GNODVUFLTSAWNA-UHFFFAOYSA-N 270.402 1.507 0 50 CDAA O=C(O)[C@@H]1CCCN1[C@H]1CCN(Cc2ccccc2)C1 238853047 IDAQYNSGHCHAIJ-GJZGRUSLSA-N 274.364 1.810 0 50 CDAA CCN(CC)[C@H]1CCN(c2ncncc2C(=O)O)C1 95381398 VURGVOHCPJNXDS-JTQLQIEISA-N 264.329 1.095 0 50 CDAA COc1n[nH]c(-c2ccc(OC)c(OC)c2OC)n1 426515458 BPSYREZEEGTNEI-UHFFFAOYSA-N 265.269 1.506 0 50 CDAA O=C(NCc1cc(F)c(F)cc1F)[C@H]1CCOC1 97413287 WENZBTHTLDRMHR-ZETCQYMHSA-N 259.227 1.757 0 50 CDAA CCCn1c(NC(=O)[C@@H]2COC(=O)N2)nc2ccccc21 294521568 KTQBFWHOLOJRCD-JTQLQIEISA-N 288.307 1.493 0 50 CDAA CCC[C@H]1C=CCN1C(=O)Cn1ncc2ccccc2c1=O 97570947 PCULMOPEFBBOLP-AWEZNQCLSA-N 297.358 1.964 0 50 CDAA CN(C)[C@@H](C(=O)N1CCC(O)CC1)c1ccc(F)cc1 95387546 OLSRNLKXKPFONM-CQSZACIVSA-N 280.343 1.412 0 50 CDAA N[C@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@@H]1C1CC1 91876540 CVDUYQQDAZEKFO-YPMHNXCESA-N 291.374 1.389 0 50 CDAA O=C(O)[C@]1(CC2CC2)CCCN(Cc2ncccn2)C1 92046097 VMGCHOVDPRLQEX-HNNXBMFYSA-N 275.352 1.944 0 50 CDAA COCC[C@]1(C(=O)O)CCCN(C2CCOCC2)C1 92022862 YSUUIHLJRALEEX-CQSZACIVSA-N 271.357 1.369 0 50 CDAA CN1CC[C@@H](Nc2ccc3nncn3n2)[C@H]1c1ccccc1 297398199 FOIPMNMDMZIAGT-CZUORRHYSA-N 294.362 1.982 0 50 CDAA CCc1cnc(C)nc1C[C@H]1CC(=O)N(CCOC)C1 244874613 XEFHASAWMFGTMM-LBPRGKRZSA-N 277.368 1.385 0 50 CDAA Cn1ccc2c(OCC(=O)Nc3cc[nH]n3)cccc21 253414507 XRNFAIWPXKHPDR-UHFFFAOYSA-N 270.292 1.919 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)o1 299743681 ORLVBANTVWXPEF-GHMZBOCLSA-N 262.309 1.247 0 50 CDAA COC(=O)c1cc(CN[C@H]2CCCc3cn[nH]c32)cn1C 253427150 DMTIIKOELNJDTQ-LBPRGKRZSA-N 288.351 1.702 0 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1.087 0 50 CDAA O[C@@H]1CCCN(CCCN=c2cc[nH]c3ccccc23)C1 828627373 IUWYJYFBIHHISJ-CQSZACIVSA-N 285.391 1.915 0 50 CDAA C[C@H](CS(C)(=O)=O)N1CC(Oc2ccccc2)C1 584903393 VJSHVUFBIWPMFM-LLVKDONJSA-N 269.366 1.183 0 50 CDAA O=C(NOCc1cccnc1)[C@]12CCC[C@H]1OCC2 866862362 FQNLFMHLWZEMSH-OCCSQVGLSA-N 262.309 1.589 0 50 CDAA CCOc1ccnc(NCCCN2CCCC[C@H]2CO)n1 670434316 FXCNPDJLRSPRQE-ZDUSSCGKSA-N 294.399 1.524 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1scnc1C1CC1 952879576 JQIBFUNSWPBUPS-UHFFFAOYSA-N 286.378 1.907 0 50 CDAA CCc1nsc(N2CC[C@H](c3ncccn3)C2)n1 952993392 MYHQELYZMSWUAA-VIFPVBQESA-N 261.354 1.884 0 50 CDAA Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cn1 1875277782 GAQNVDLOHFNQQX-RFQIPJPRSA-N 290.367 1.587 0 50 CDAA Cc1cc(NC(=O)N2CCN(C)c3ncccc3C2)on1 1875269374 GVJGEFLSRXDFLS-UHFFFAOYSA-N 287.323 1.862 0 50 CDAA C[C@@H]1CCC[C@@H]1S(=O)(=O)NC(=O)NC1CCCC1 1875329858 GWNCSIDMEAGNPP-KOLCDFICSA-N 274.386 1.747 0 50 CDAA Cn1nc(C(=O)Nc2cccnc2)cc1[C@@H]1CCCO1 1875319028 OLXDTQDCIIYTEA-ZDUSSCGKSA-N 272.308 1.919 0 50 CDAA CCCN1CCN(c2ncnc3c2ccn3C)CC1 1875310685 YMTHIDIFZQQALE-UHFFFAOYSA-N 259.357 1.500 0 50 CDAA C=CC(=O)N1CC(C(=O)N[C@@H](C)c2cnn(C3CC3)c2)C1 1875387616 PRROBPGBHOISOZ-JTQLQIEISA-N 288.351 1.040 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cccc2cccnc12 1565511573 HJMRPKUDGUCXPG-KBPBESRZSA-N 286.331 1.769 0 50 CDAA CN1CCC[C@H]1C(=O)N1CCC2(CCCO2)CC1 952984097 ZSVVPMKJKFXOIS-LBPRGKRZSA-N 252.358 1.252 0 50 CDAA O=C(CCc1ccc(F)cc1F)N1C[C@@H](O)[C@H](F)C1 952978625 SFPHZCGBLDKOBG-VXGBXAGGSA-N 273.254 1.439 0 50 CDAA CC1=NO[C@H](C(=O)NC[C@H](CC(=O)O)CC(C)C)C1 888098674 NUBSRZKQQIEJBE-QWRGUYRKSA-N 270.329 1.404 0 50 CDAA Cc1cnn(C[C@@H](C)NC(=O)N2CCC[C@H]2CCO)c1 888093328 SACPIZOTVDWMDI-OLZOCXBDSA-N 280.372 1.136 0 50 CDAA CN[C@H]1CCCN(C(=O)c2ccc(COC)cc2)C1 134089672 AKTLAQZHQIZCME-AWEZNQCLSA-N 262.353 1.657 0 50 CDAA O=C(OCC1CCCCC1)N1CCO[C@@H](c2nc[nH]n2)C1 1775992201 KFZRFGZXUSDGDT-GFCCVEGCSA-N 294.355 1.895 0 50 CDAA Cc1cnc(N2CCN(c3cccc4nc[nH]c34)CC2)nc1 1775985591 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292.423 1.794 0 50 CDAA O=C(CN1CCOCC1)Nc1ccccc1Cl 19607017 ZXHIGLFJEQUJIJ-UHFFFAOYSA-N 254.717 1.611 0 50 CDAA CC(C)[C@H](C(=O)N1CCN(CCO)CC1)c1ccccc1 19911446 CJPVOMFSNIOXKY-INIZCTEOSA-N 290.407 1.563 0 50 CDAA O=C1NCCOc2cc(F)c(Br)cc21 168082743 FDLCCMFQVJTURC-UHFFFAOYSA-N 260.062 1.710 0 50 CDAA CN(C[C@@H]1Cc2ccccc2O1)c1ncc2cn[nH]c2n1 1857682430 PQIQJTFPEFNOBN-LBPRGKRZSA-N 281.319 1.793 0 50 CDAA CN1CCc2cc(-c3cc(-n4cccn4)ncn3)cnc21 1875251082 LJSQJAKSMIHAOE-UHFFFAOYSA-N 278.319 1.717 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1cnc(N(C)C)nc1 408474685 JXSSWQCUSOEVHY-NEPJUHHUSA-N 278.356 1.686 0 50 CDAA N=c1[nH]cnc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)ccc12 612656525 ZTIKJQMQIPQWJT-AAEUAGOBSA-N 286.335 1.076 0 50 CDAA CC(C)C(=O)NCCCNc1cc(N2CCCC2)ncn1 225483225 HYGRRLMRSJUVRA-UHFFFAOYSA-N 291.399 1.651 0 50 CDAA Cc1cc(C)cc(OC[C@@H](O)CN2CCC[C@@H](O)C2)c1 229106653 ZOMHMWSPGCTICB-CABCVRRESA-N 279.380 1.500 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)[C@@H]2COCCN2)C1(CC)CC 236887661 DVLFEQBGHGQWHA-RWMBFGLXSA-N 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276.340 1.355 0 50 CDAA COc1cc(OC)cc(OCCNC2=NCCCCN2)c1 849217746 NSQCELHNOJBATN-UHFFFAOYSA-N 293.367 1.412 0 50 CDAA C[C@@H]1CCC[C@@H]([C@@H](NCc2cn(C)nn2)C(=O)O)C1 2325792898 TVPKAFBNJCGDBF-CKYFFXLPSA-N 266.345 1.184 0 50 CDAA C[C@@H]1CCCN1CC(=O)N1CC(c2n[nH]c3c2CCC3)C1 2325803400 FCZZNQKOAFXRNC-LLVKDONJSA-N 288.395 1.309 0 50 CDAA Cc1cc2ncc(C(=O)N[C@H](C)[C@H](C)C(=O)O)c(C)n2n1 132540089 QAKPYAUKJPKHOG-DTWKUNHWSA-N 290.323 1.185 0 50 CDAA COC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1 52247 CKVSSQDAKXIZRE-UHFFFAOYSA-N 288.303 1.965 0 50 CDAA CCOC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 275064 GWWZRDIMISIHCG-UHFFFAOYSA-N 277.324 1.993 0 50 CDAA CC(CO)(CO)NC(=O)Nc1ccc(Cl)cc1 407536 VXTGXEUYSOVNQS-UHFFFAOYSA-N 258.705 1.205 0 50 CDAA CCOC(=O)COc1ccc(C=O)cc1OCC 450356 YSEWROKOAWXQBG-UHFFFAOYSA-N 252.266 1.840 0 50 CDAA COC(=O)c1ccc(OCC(=O)NCc2ccco2)cc1 471883 NUHFGRJCQFNIOE-UHFFFAOYSA-N 289.287 1.761 0 50 CDAA COc1ccc(N(Cc2cccnc2)S(C)(=O)=O)cn1 2356134307 IVTHROUSUVLHOS-UHFFFAOYSA-N 293.348 1.451 0 50 CDAA COC[C@@]12COC[C@@H]1CN(Cc1ccc(F)c(OC)c1)C2 2356138429 BGDMNVUFONJDAZ-BBRMVZONSA-N 295.354 1.929 0 50 CDAA NS(=O)(=O)c1ccc(F)cc1Br 2243199 FEUDPWHDKUOLBW-UHFFFAOYSA-N 254.080 1.236 0 50 CDAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C)s1 4502634 FKDAPDXCPRRDSE-SNVBAGLBSA-N 291.336 1.505 0 50 CDAA CSc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 4806589 FXHXBLZEASVMSY-SNVBAGLBSA-N 287.406 1.866 0 50 CDAA O=C(NC1CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 9234850 PGPPOFMKJPGXDT-SECBINFHSA-N 278.739 1.972 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCOC1 226676804 YYRCFWJUYMNIDR-RNJOBUHISA-N 281.352 1.657 0 50 CDAA CC(C)N1CCN(C(=O)Nc2nncs2)C[C@H]1C 55342437 YZHNKHFNXQFZKP-SECBINFHSA-N 269.374 1.485 0 50 CDAA CN(C)C[C@H]1[C@@H]2CN(Cc3ccc(CO)o3)C[C@H]12 102017425 WBTSDKJHKKHWOW-ZSOGYDGISA-N 250.342 1.011 0 50 CDAA CCOc1cccc(OCCOCCNCCO)c1 22309633 GTPNVLLYNWWRQO-UHFFFAOYSA-N 269.341 1.063 0 50 CDAA O=c1[nH]nc(C2CCC2)n1-c1ccc2c(c1)OCO2 65453466 SVPDQCDZJLIGGW-UHFFFAOYSA-N 259.265 1.557 0 50 CDAA CC(=O)Nc1ccc(-n2ncc3cccnc32)cn1 65393930 USZSWWDDQDNUQZ-UHFFFAOYSA-N 253.265 1.774 0 50 CDAA COc1cc(-n2cnc(C(=O)O)c2)ccc1NC(C)=O 67805386 VZFIAWYQRUOCQR-UHFFFAOYSA-N 275.264 1.538 0 50 CDAA O=C(Cc1ccccc1CO)NC[C@H]1CCCC[C@@H]1O 1363234407 HYUTXLJPPLFACM-HIFRSBDPSA-N 277.364 1.389 0 50 CDAA Cn1cc(C(=O)NCCc2c[nH]cn2)c2ccccc2c1=O 62001489 HBPIGIRQGUEUNC-UHFFFAOYSA-N 296.330 1.234 0 50 CDAA biogenic COc1ccccc1CN1C[C@@H](OC)C[C@H]1CO 311107076 LOZGUODSFPZIMF-STQMWFEESA-N 251.326 1.277 0 50 CDAA O=C(Cn1nc2c(cc1=O)CCCC2)Nc1nccs1 61718673 SZWHROUUIBQMID-UHFFFAOYSA-N 290.348 1.217 0 50 CDAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccco1 78263 ZMMCCRDZRJWDQX-SNVBAGLBSA-N 266.322 1.636 0 50 CDAA biogenic CCc1cccc(CC)c1N(COC)C(=O)C(=O)O 34410385 MHCYOELBTPOBIU-UHFFFAOYSA-N 265.309 1.833 0 50 CDAA in-vitro OC[C@@]1(O)CCCN(Cc2c[nH]nc2-c2ccccc2)C1 72430623 WAQNQLRSSHSXSV-MRXNPFEDSA-N 287.363 1.396 0 50 CDAA CC(C)c1ncc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3C)cn1 215233830 ZIOWAYUZFTVYNZ-KGLIPLIRSA-N 288.395 1.653 0 50 CDAA COC[C@H](O)CN[C@H]1CCN([C@@H](C)c2ccccc2)C1 229941684 ZCHUYHRRODXDLS-CWRNSKLLSA-N 278.396 1.419 0 50 CDAA Cn1c(S)nnc1CCNC(=O)[C@H]1C[C@@H]1C1CCC1 170653238 SCXXDKGFWRXTNN-ZJUUUORDSA-N 280.397 1.199 0 50 CDAA CCOc1ccc(CC(=O)N2CCCNC(=O)[C@H]2C)cc1 170606411 FKXUJCPODSNKBM-GFCCVEGCSA-N 290.363 1.365 0 50 CDAA CNC[C@@H]1CCCN1C(=O)Cn1ccc(=O)c2ccccc21 237098890 WJVNHDJEBXIVEJ-ZDUSSCGKSA-N 299.374 1.212 0 50 CDAA CCOC(=O)[C@@H](C)N1C[C@@H](C)[C@](C)(C(=O)OC)C1 328586567 GAURBUIEJUBMLM-GIPNMCIBSA-N 257.330 1.069 0 50 CDAA CCCCCN1C(=O)[C@H](Cc2cn(C(C)C)nn2)N=C1O 328613603 SQDKEMBFBBYTDD-LBPRGKRZSA-N 293.371 1.717 0 50 CDAA O=C(O)Cn1ccc(NC(=O)c2cc3ccccn3c2)n1 122868237 MAKGZSGUMSLIKJ-UHFFFAOYSA-N 284.275 1.473 0 50 CDAA COc1ccccc1OCCN(C)C(=O)[C@@H]1CC[C@@H](N)C1 237144862 WKCNYNSLKYDISK-CHWSQXEVSA-N 292.379 1.660 0 50 CDAA Cc1ncc2c(n1)CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C2 366327237 YPRQJZASYFDQEO-WCQYABFASA-N 276.384 1.132 0 50 CDAA O=S(=O)(CC[C@H]1CCCO1)N1CCOc2ccccc21 155689008 JIDKMIQBZVTEIY-GFCCVEGCSA-N 297.376 1.784 0 50 CDAA C[C@@H]1CCC[C@H](O[C@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)C1 237365335 DBTJPJMRPNEMDG-LPWJVIDDSA-N 283.368 1.903 0 50 CDAA C[C@@H]1CCCN(C(=O)/C=C/c2ccccn2)[C@H]1CN 156685623 PXLBDFBYEAZJHP-KHAURHHGSA-N 259.353 1.681 0 50 CDAA CCc1ccc([C@H](CO)NC(=O)[C@H]2CO[C@H](C)C2)cc1 331301221 PMRRGGJLLBUKDJ-DFBGVHRSSA-N 277.364 1.824 0 50 CDAA Cc1cc(C(=O)NC(C)(C)CN2CCOCC2)ns1 333935659 JRJPZNGQYZGVFC-UHFFFAOYSA-N 283.397 1.292 0 50 CDAA CO[C@@H]1CCC[C@H]1N1C(=O)N[C@@H](CC(C)C)C1=O 332373314 MOWLMLMZSZQHBJ-HBNTYKKESA-N 254.330 1.520 0 50 CDAA COC[C@@]1(C(=O)O)CCCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1 262943543 QAHZQNPMWIXWQD-BCUIYNNISA-N 293.363 1.538 0 50 CDAA CC1(C)NCC[C@H]1NC(=O)N=c1[nH]nc(C(F)F)s1 333188006 RJFOPICQGYCSIV-RXMQYKEDSA-N 291.327 1.160 0 50 CDAA CC1(C)[C@@H](O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccnc1 333188809 NPDWBZSXWCPOSL-LOWDOPEQSA-N 260.337 1.461 0 50 CDAA COc1cccc(Cl)c1C(=O)N1CC(O)(C(F)F)C1 335531725 HVWPMTKTMYERSB-UHFFFAOYSA-N 291.681 1.801 0 50 CDAA CCS(=O)(=O)c1cc(Br)ccc1C(=O)O 228030993 CITBBNNZZWFJBO-UHFFFAOYSA-N 293.138 1.941 0 50 CDAA C[C@@H]1CC[C@@]2(CCN(CCN3CCCS3(=O)=O)C2)C1 335977821 WSHXHKTXVXCYPA-ZIAGYGMSSA-N 286.441 1.534 0 50 CDAA Cc1cc[nH]c1C(=O)Nc1cccc(NS(C)(=O)=O)c1 336151987 MLNFDGVEYSAPOR-UHFFFAOYSA-N 293.348 1.947 0 50 CDAA CCOC[C@H](O)CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 281939398 TWBVNBWULSYDPO-RBSFLKMASA-N 283.343 1.331 0 50 CDAA C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N[C@H]1CCN(C)C1=O 241923253 UEGYKHADPUVXSF-UTUOFQBUSA-N 281.400 1.731 0 50 CDAA COC(=O)[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 42204564 QTDYIOMAYBRIAR-MRVPVSSYSA-N 255.701 1.560 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)Cc1ccc2cn[nH]c2c1 263423455 LTCPIUZPLIBNTI-CYBMUJFWSA-N 287.319 1.571 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(Cc2ccon2)C1 284738815 DFYUVAQDBKXODO-NEPJUHHUSA-N 289.339 1.632 0 50 CDAA COc1ccc([C@H]2OCC[C@@H]2NCc2cc[nH]n2)cn1 285068177 PBBCVZGWRLEIRV-GXTWGEPZSA-N 274.324 1.433 0 50 CDAA Cc1ccc(C(=O)N[C@@H]2CCCNC2=O)n1C(F)F 426734163 TUPYWPQAJMPZOF-MRVPVSSYSA-N 271.267 1.200 0 50 CDAA CNc1nc(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)cs1 92078054 AYNJCJDEZYNRAC-OQPBUACISA-N 281.381 1.418 0 50 CDAA COc1ccc2oc(CNC(=O)C[C@@H]3CCOC3)nc2c1 426661352 QBZHGKTXWMEGSO-JTQLQIEISA-N 290.319 1.879 0 50 CDAA O=C(O)c1coc(CN2C(=O)c3ccccc3C2=O)n1 95628413 LIRMFTICAFPKPC-UHFFFAOYSA-N 272.216 1.169 0 50 CDAA Cc1nc2ccccc2n(Cc2ncccn2)c1=O 95362186 IPCCDNQWSCNDCF-UHFFFAOYSA-N 252.277 1.543 0 50 CDAA NC[C@H]1CCCCN1C(=O)c1ccc2nccn2c1 178491777 QAXRTICNGDDIHD-GFCCVEGCSA-N 258.325 1.288 0 50 CDAA O=C(Cn1ccnc1)N1CC[C@](CO)(c2ccccc2)C1 291124311 GGRWOYFGPWXKBQ-INIZCTEOSA-N 285.347 1.046 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 179213807 BDNGGPIKORYWLT-NEPJUHHUSA-N 284.363 1.829 0 50 CDAA NC(=O)c1cncc(C[C@H]2CC(=O)N(c3ccccc3)C2)n1 244773924 PITXJICPKQQMSQ-NSHDSACASA-N 296.330 1.171 0 50 CDAA CC1=C[C@H](C)[C@H](C(=O)OCCN(C)C)[C@H](C(=O)O)C1 245312363 UWKFNPDBBIBDBH-TUAOUCFPSA-N 269.341 1.394 0 50 CDAA c1ccc2c(c1)ncn2CCN1CCN([C@H]2CCNC2)CC1 244695612 JPIUCABRQUVLAG-HNNXBMFYSA-N 299.422 1.016 0 50 CDAA Cc1nnc(CN2CCC[C@H](C(=O)c3ccccn3)C2)o1 244564001 CKZIDGNDINAMGW-LBPRGKRZSA-N 286.335 1.868 0 50 CDAA Cc1cc(S(=O)(=O)N2CC3(CCOC3)C2)c(C)s1 294269594 VLVDCUVSZJOGRW-UHFFFAOYSA-N 287.406 1.776 0 50 CDAA C[C@@H]1CN(C(=O)c2csc3ccccc23)CC(=O)N1 296256117 QHFMKBAXZSDKEX-SECBINFHSA-N 274.345 1.862 0 50 CDAA COc1cc(Cl)ccc1C(=O)NCCc1nc(N)n[nH]1 534632485 DHMOXAQPQBPPHT-UHFFFAOYSA-N 295.730 1.021 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)c1ccnn1C 358703434 ZTEAOVJKMOZHES-UHFFFAOYSA-N 283.335 1.579 0 50 CDAA CCOCC(C)(C)NC(=O)N(C)Cc1ncc(C)[nH]1 534590127 BRSRLIWUNAEOQG-UHFFFAOYSA-N 268.361 1.675 0 50 CDAA O=C1CC[C@@H](NCCc2ncc[nH]2)CN1Cc1ccccc1 534649325 JMDVFMVWHLRJLS-OAHLLOKOSA-N 298.390 1.733 0 50 CDAA COCCCn1nccc1[C@@H]1OCC[C@H]1C(=O)O 299805214 CZEHKRUNLXFVRU-MWLCHTKSSA-N 254.286 1.082 0 50 CDAA COc1cc(C(=O)NCc2cncn2CC(C)C)ccn1 824851981 LRGVRJHYFYNVSZ-UHFFFAOYSA-N 288.351 1.873 0 50 CDAA COCCN1CCC(CN(C)c2nnc(C)s2)CC1 670437307 RZKVXPHQXATTKS-UHFFFAOYSA-N 284.429 1.641 0 50 CDAA CNC(=O)c1n[nH]c2c1CN(CCc1cccc(C)n1)CC2 670460726 UGMXQKCVXVKJBR-UHFFFAOYSA-N 299.378 1.074 0 50 CDAA Cc1nn(CCNC(=O)CCc2cccn2C)c(C)c1C 670460711 ZTTZYZOPQIFCPV-UHFFFAOYSA-N 288.395 1.896 0 50 CDAA CNC(=O)C[C@H]1CCN(c2nc(C)nc(C)c2C)C1 670473293 NAFSDZCMICDUCT-GFCCVEGCSA-N 262.357 1.364 0 50 CDAA CN1C[C@]2(CCN(Cc3ccsc3)C2)OCC1=O 670441526 OCXYODHPPRIKMR-ZDUSSCGKSA-N 266.366 1.181 0 50 CDAA O=C(O)CN(C(=O)Cc1ccsc1)C1CCOCC1 238100709 KAJUUMDKDFWCQX-UHFFFAOYSA-N 283.349 1.383 0 50 CDAA O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)CCCO1 42684293 AJQVXDQJBBKRTD-GFCCVEGCSA-N 279.292 1.499 0 50 CDAA in-vitro CC[C@H]1[C@H](Nc2cncc(C(=O)O)n2)[C@H]2CCO[C@@H]12 1074621913 HKWPEQPBMDJYFO-VVJJBPBLSA-N 263.297 1.400 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C2CC2)C1 958528542 QEBFZINDPCOVGI-GWCFXTLKSA-N 256.346 1.096 0 50 CDAA CCNC(=O)c1ccc(NC(=O)C2(C(=O)O)CC2)c(C)c1 952975317 PFXHSZMWABDIRK-UHFFFAOYSA-N 290.319 1.548 0 50 CDAA CSc1cccc(CNC(=O)Cn2nc(C)cc2N)c1 952963522 KQYAVNQSFNICQD-UHFFFAOYSA-N 290.392 1.812 0 50 CDAA COCCn1cnnc1[C@H](C)NCc1cccc(O)c1 952869947 QOVHBPOPMNQBAF-NSHDSACASA-N 276.340 1.481 0 50 CDAA COc1ccc(C(=O)N2CC[C@H]([C@H](F)C(=O)O)C2)cc1 1548597672 HJVYSMCUCJXZRM-JQWIXIFHSA-N 281.283 1.580 0 50 CDAA COc1ccc(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)cc1C 1565510290 OJIFPEJIBBHPBC-SGMGOOAPSA-N 261.321 1.911 0 50 CDAA CCC[C@H]1CN(CCCn2cccn2)C[C@@H]1C(=O)O 1565514027 BJXHNJLHTNEXED-STQMWFEESA-N 265.357 1.706 0 50 CDAA O=C(c1ccc[nH]1)N1CCN(C(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 1565527823 XSVTUBROHWDFKD-MJBXVCDLSA-N 299.374 1.511 0 50 CDAA NS(=O)(=O)c1ccc(Br)c(Cl)c1 36532590 KQFLTKBUSDMAKA-UHFFFAOYSA-N 270.535 1.750 0 50 CDAA in-vitro CNC[C@@H]1CCCN(C(=O)c2cncnc2C(C)C)C1 269100406 BJTOOCSOMKNRPL-LBPRGKRZSA-N 276.384 1.672 0 50 CDAA CN1CC[C@@H](N(C)C(=O)c2cccc(C(=O)O)c2)C1 97528904 LKTKEMVSEBNLAZ-GFCCVEGCSA-N 262.309 1.161 0 50 CDAA C/C(=C\Cl)CS(=O)(=O)Cc1ncc(C)cn1 899497062 OREZHMWVNAJQNX-FPYGCLRLSA-N 260.746 1.842 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@H]3CCCC[C@@H]3CO)c2c1 271000656 GFTYTINDCRXLFV-OCCSQVGLSA-N 287.363 1.924 0 50 CDAA Cc1cc(C)n2nc(SC[C@@H]3COC(C)(C)O3)nc2n1 408513981 FKVPXUORFGGUGS-JTQLQIEISA-N 294.380 1.985 0 50 CDAA COCc1ccc(CN2C[C@H](O)C[C@@H]2c2nc(C)no2)o1 275465559 HKBNINQPXUCAAF-ZWNOBZJWSA-N 293.323 1.425 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)c1cn2ccccc2n1 276384200 UCWCNIZPMOBUIA-LBPRGKRZSA-N 295.346 1.523 0 50 CDAA Cc1ccoc1C(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1 276606782 VTJNDUWIHUHKSM-AWEZNQCLSA-N 292.379 1.771 0 50 CDAA COC(=O)[C@H](C)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 170091570 VMUWURLJKWYFEL-KCQAQPDRSA-N 276.380 1.973 0 50 CDAA CC(C)(O)C(F)(F)C(=O)NCC1(O)CCCCCC1 170083066 RHJMESOHPRZAEN-UHFFFAOYSA-N 279.327 1.594 0 50 CDAA Cc1cc(C(=O)N2C[C@H]3CCN(C)C[C@H]3C2)ns1 585130585 VQAJUMSPOXIFCF-MNOVXSKESA-N 265.382 1.475 0 50 CDAA CCSCCNc1cc(S(N)(=O)=O)ccc1C 585116597 CFHWWKXRQZORJX-UHFFFAOYSA-N 274.411 1.807 0 50 CDAA O=C([C@H]1CCOC1)N1CCCN(Cc2cncs2)CC1 980806147 KIZLSZWYGWSMPR-LBPRGKRZSA-N 295.408 1.214 0 50 CDAA Cn1nccc1CCC(=O)N1CC(c2ccccn2)C1 1650030537 YDGSSTHQMOTMJI-UHFFFAOYSA-N 270.336 1.374 0 50 CDAA CCc1cn(Cc2nnnn2CC(F)(F)F)cn1 1652206022 PXTJQKCSOFBHFT-UHFFFAOYSA-N 260.223 1.043 0 50 CDAA C[C@H](NS(=O)(=O)C[C@@H](C)C(C)(C)C)c1nncn1C 1616037442 BMYFLHTYVUFCIN-ZJUUUORDSA-N 288.417 1.478 0 50 CDAA C[C@@](O)(CNCC1(O)CCC1)c1cccc(F)c1 1336794623 LSBDRKSWDLXXPO-CYBMUJFWSA-N 253.317 1.538 0 50 CDAA Cc1ncc(S(=O)(=O)Nc2nccnc2C2CC2)n1C 1198353943 CFEALYXJMIVXBE-UHFFFAOYSA-N 293.352 1.197 0 50 CDAA CCn1cc(CNC(=S)NC2CCCC2)cn1 610202 FAMLFOBAJYLPGE-UHFFFAOYSA-N 252.387 1.810 0 50 CDAA O=C(O)c1nccnc1N1CCN(CC2CCC2)CC1 1506429782 VFILTZIDTSINMG-UHFFFAOYSA-N 276.340 1.097 0 50 CDAA CN(C[C@@H](O)c1ccccc1)c1n[nH]c(=N)s1 1857673503 UOEDJHLSAIYAKR-SECBINFHSA-N 250.327 1.120 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCc2nnc3ccccn23)n1 1506405838 ICVRNTSHMTZVND-LBPRGKRZSA-N 284.367 1.721 0 50 CDAA O=C(O)CCN1CCC[C@H](N2CCCCCC2)C1 212818336 WOPNRZMQDGUJQB-ZDUSSCGKSA-N 254.374 1.802 0 50 CDAA CCNC(=O)N1C[C@H](c2ccc(C)o2)[C@@H](NC(C)=O)C1 222081118 DYIQKPDGBYFILE-RYUDHWBXSA-N 279.340 1.221 0 50 CDAA CC(=O)c1cnc(NC[C@H]2CCCCN2C)nc1C 1704315367 AZNCPPUYTOAMSG-GFCCVEGCSA-N 262.357 1.884 0 50 CDAA Oc1ccc(CCN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1 1704301217 PGJIAVSHOJNCHY-RHSMWYFYSA-N 299.374 1.260 0 50 CDAA Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1CCOCC1 154871524 LPNHYRUWHZQCGT-SECBINFHSA-N 251.330 1.064 0 50 CDAA CCc1ncn(CC(=O)N[C@H]2CCCC[C@@H]2C)n1 241371387 MNDWHDBKPCZRCB-QWRGUYRKSA-N 250.346 1.535 0 50 CDAA CCCCN(CCCC)C(=O)CCn1ncn(C)c1=O 338894986 LSRFSZVGCCQUEX-UHFFFAOYSA-N 282.388 1.401 0 50 CDAA C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)CC(C)(C)C 341194355 SSWYIENGBCJQAK-QWRGUYRKSA-N 291.413 1.131 0 50 CDAA Cc1nnsc1C(=O)N1C[C@H](C)[C@@](O)(C(C)C)C1 248043936 ULMWDKVQRIGJQY-UFBFGSQYSA-N 269.370 1.326 0 50 CDAA Cc1nc(C(=O)NCc2cccnc2-n2ccnc2)cs1 11663270 VKICFLCKSRABIT-UHFFFAOYSA-N 299.359 1.962 0 50 CDAA CN(C)CC[C@H]1CN(C(=O)c2ccsc2)CCO1 12207587 CBWSOINBVYXJSS-LBPRGKRZSA-N 268.382 1.541 0 50 CDAA Cc1cccc(N2C(=O)C[C@H](Sc3nc[nH]n3)C2=O)c1 13545216 OHHGSUSCJVUVJI-JTQLQIEISA-N 288.332 1.537 0 50 CDAA Cc1ccccc1N1CCN(C(=O)[C@H]2CCCO2)CC1 16603731 GSGVGPRDWYZBDU-OAHLLOKOSA-N 274.364 1.823 0 50 CDAA Cc1nc(-c2cccnc2)sc1C(=O)N1CCOCC1 16650536 OYIGQZUSVXRVIA-UHFFFAOYSA-N 289.360 1.986 0 50 CDAA CCOc1ccc(C(=O)NCCN2CCOCC2)cc1 19532608 HBNFGOVJZHIZSP-UHFFFAOYSA-N 278.352 1.147 0 50 CDAA Cc1cnnc(N2CCC[C@@]3(CC2)CN(C)C(=O)O3)c1C 1857680638 RFQKREUGZJFCFH-OAHLLOKOSA-N 290.367 1.905 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC[C@@]12CCC[C@H]2O 1857702715 ARGKJVHBAULXIJ-UKRRQHHQSA-N 277.368 1.638 0 50 CDAA O=C(NC1Cc2ccccc2C1)[C@H]1CCc2ncnn2C1 1857724553 HLIDNXPWCAVAIB-ZDUSSCGKSA-N 282.347 1.124 0 50 CDAA CCCn1nnc(NC(=O)c2ccc(C)cc2C)n1 557881 PMBGXOILSAXMPK-UHFFFAOYSA-N 259.313 1.952 0 50 CDAA CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccsc2)CC1 331680592 UINVHKDQKCAYLI-NSHDSACASA-N 287.406 1.787 0 50 CDAA O=C(C[C@@H]1CCCC[C@H]1O)N1CCC[C@H](n2ccnn2)C1 332381100 AURHZGVNDJPTMA-MELADBBJSA-N 292.383 1.383 0 50 CDAA COC(=O)c1cc(CN2CCC[C@@H]([C@@H](C)O)C2)n(C)c1C 242302205 YQMFSWGTFMJDKR-CHWSQXEVSA-N 294.395 1.713 0 50 CDAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 659160076 RMXPMZJWEMAUHM-JOYOIKCWSA-N 291.351 1.709 0 50 CDAA COc1ccccc1CCC(=O)N1C[C@@H](OC)C[C@H]1CO 345278575 CCKSIUXBMQBCFS-KBPBESRZSA-N 293.363 1.236 0 50 CDAA O=C(N[C@@H]1CCc2ccccc2OC1)c1cn[nH]c1 366884985 QEFFZOVZUUFTOI-GFCCVEGCSA-N 257.293 1.533 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1cc(O)nc2c1CCCC2 911868354 OEYJBUZGVVAYCH-NSHDSACASA-N 289.379 1.490 0 50 CDAA C[C@]1(C(=O)NCCn2cccn2)CCOc2ccccc21 930619143 RCVYZVDYKPLVFV-INIZCTEOSA-N 285.347 1.740 0 50 CDAA O=C(Cc1cccnc1)Nc1cccc(O[C@@H]2CC(=O)N2)c1 1142119290 OCMQJJQEZJQFRH-MRXNPFEDSA-N 297.314 1.488 0 50 CDAA C[C@H]1CCn2cc(C(=O)N(C)[C@@H](C)C(=O)O)nc2C1 864096807 ITURODSVWOMAJG-IUCAKERBSA-N 265.313 1.011 0 50 CDAA Cc1ccncc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 864279841 HCOWNTGELNXITF-ZDUSSCGKSA-N 292.335 1.247 0 50 CDAA CN(Cc1ccc(=N)[nH]c1)C(=O)C(F)(F)C1(O)CCC1 1875279167 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C[C@H]1CC(n2ncc3ncsc3c2=O)C[C@H](C)O1 899361019 RRFOZDRTXGNNHC-YUMQZZPRSA-N 265.338 1.982 0 50 CDAA CC(C)CNC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 250558178 FSXKBBKWEXIHJQ-AGIUHOORSA-N 282.384 1.476 0 50 CDAA O=C([C@@H]1CCCCN1)N1CCO[C@H](c2cccs2)C1 156185211 PTBAJBHEDRQJJO-RYUDHWBXSA-N 280.393 1.790 0 50 CDAA O=C(N[C@@H](C(=O)O)c1ccccc1)C1CC(F)(F)C1 262879126 KZQOIJOCZNIJSN-SNVBAGLBSA-N 269.247 1.974 0 50 CDAA Cc1ccc(CC(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)cc1 659229362 VPJGTDVKNBGIKU-BETUJISGSA-N 261.321 1.859 0 50 CDAA Cc1csc(C(=O)NC[C@H]2CNCCCO2)c1Cl 333257126 ZNJMUXZCSXTKAM-SECBINFHSA-N 288.800 1.818 0 50 CDAA Cc1cc(C(=O)N(CCC(=O)O)CC2CC2)ncn1 678976268 RGPIVHYKFLQYOB-UHFFFAOYSA-N 263.297 1.112 0 50 CDAA Cn1ncc(N[C@H]2CCn3ccnc3C2)c(Cl)c1=O 489927906 XGBDRYXDDYBSEB-QMMMGPOBSA-N 279.731 1.057 0 50 CDAA O=C(N[C@H]1CCNC[C@@H]1O)C12CC3CC(CC(C3)C1)C2 710448143 TZARZZKDVLKMCQ-FUDOWXGNSA-N 278.396 1.042 0 50 CDAA O=C(Nc1ccccn1)[C@H]1COc2ccccc2O1 62738 GDHBSGRLTKUCMO-GFCCVEGCSA-N 256.261 1.860 0 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COc1cccn(C[C@H]2Cc3c(C)nc(C)nc3O2)c1=O 95517703 OWAPHDBVQGDKMK-LLVKDONJSA-N 287.319 1.267 0 50 CDAA Cc1noc(C)c1[C@H](C(=O)O)N(C)CCc1ccccn1 95365668 MJHYOPBPHLODPM-CQSZACIVSA-N 289.335 1.987 0 50 CDAA c1cn2cc(Cc3nc([C@@H]4CCOC4)no3)nc2s1 96133070 BZZUQOYNEVGGQU-MRVPVSSYSA-N 276.321 1.874 0 50 CDAA CC[C@]1(C(=O)O)CCCN(C(=O)C2CCC(CO)CC2)C1 91486740 WRPXTPNMEOKAQZ-ZUEPYMLJSA-N 297.395 1.889 0 50 CDAA CN1C(=O)CN(C[C@@H]2CCCCO2)C(=O)c2ccccc21 95504421 ILOPZHFHONSZDR-LBPRGKRZSA-N 288.347 1.674 0 50 CDAA CC(=O)N[C@H]1CCN(C(=O)Nc2cc(C3CC3)nn2C)C1 96165682 PMXWJFSYCNILCD-NSHDSACASA-N 291.355 1.040 0 50 CDAA Cc1nc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cs1 92045673 ASYHJAIGGHCDIY-ZJUUUORDSA-N 251.355 1.261 0 50 CDAA CCN1CCC[C@H](N2C(=O)OC(C)(C)[C@]2(C)O)C1 245257281 YNKAKTJZJSXZAA-GWCFXTLKSA-N 256.346 1.410 0 50 CDAA NC(=O)NCC(=O)N1CC[C@H](c2ccccc2Cl)C1 244872755 WDVFKYJJGZJFBP-VIFPVBQESA-N 281.743 1.324 0 50 CDAA CNC(=O)CN(C)Cc1cc(O)c2cc(F)ccc2n1 253537068 WKASCDAOWGQLMQ-UHFFFAOYSA-N 277.299 1.257 0 50 CDAA CCS(=O)(=O)NC[C@@H](C)NC1(c2cccc(C)c2)CC1 534574554 LAXSNJBCZQNQLI-CYBMUJFWSA-N 296.436 1.902 0 50 CDAA CN1CCC[C@H](CCC(=O)NCC2(CO)CCCC2)C1 534585459 ZDJBGOGFNSHKJQ-CQSZACIVSA-N 282.428 1.777 0 50 CDAA CC(C)[C@@H](CNC(=O)[C@H]1CC[C@@H](O)CC1)N(C)C 534646048 KCEOUEMSAAXUOD-FRRDWIJNSA-N 256.390 1.240 0 50 CDAA Cc1ccc(S[C@H](C)C(=O)N2CCCNC(=O)C2)cc1 828308677 LBZPEWJEIFRTLJ-GFCCVEGCSA-N 292.404 1.824 0 50 CDAA C[C@H](Cn1cncn1)C(=O)N1CCC2(CCCC2)C1 827628068 OMCZFBLVGXPIEA-GFCCVEGCSA-N 262.357 1.707 0 50 CDAA CCC[C@@H](C(=O)NCCc1ncnn1C)n1cccc1 584887216 APZIEHRNYQFWEU-LBPRGKRZSA-N 275.356 1.317 0 50 CDAA C[C@@H](CCN=c1[nH]ncc2ccccc12)N1CCN(C)CC1 584903701 KLJRWSLDFIYSPG-AWEZNQCLSA-N 299.422 1.490 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC2CCS(=O)(=O)CC2)n1 670442274 KSQKLKWYUNXHCG-LLVKDONJSA-N 285.413 1.055 0 50 CDAA Cc1nc(C)c2c(n1)O[C@H](CN1CCc3nocc3C1)C2 670460759 RLMSIDFXDITBHK-LBPRGKRZSA-N 286.335 1.443 0 50 CDAA CCc1nc(CN2CC[C@](O)(c3ccccc3)C2)n[nH]1 670452697 AISOBDWYWFTNHB-OAHLLOKOSA-N 272.352 1.461 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCNC2=O)C1 950756114 QBWBDKLNMNWYSK-GHMZBOCLSA-N 268.357 1.770 0 50 CDAA CCn1nc(C)c(CNc2cnn(-c3ccccc3)n2)n1 1875284417 YUNXRHKWNDTGRK-UHFFFAOYSA-N 283.339 1.799 0 50 CDAA C[C@@H]1CN(c2cc(CNC(=O)C3(C)CC3)ccn2)CCO1 1875261633 CGWWYXPOVIJDAW-GFCCVEGCSA-N 289.379 1.723 0 50 CDAA CCN(CC)C(=O)N1CCC([C@H]2C[C@@H](N)CCO2)CC1 1875340106 LOGASSOXKLTGGM-UONOGXRCSA-N 283.416 1.667 0 50 CDAA O=c1cc(-c2ccccc2)ncn1Cc1ncccn1 1166467536 FFDHLHQFRHDMBL-UHFFFAOYSA-N 264.288 1.749 0 50 CDAA Cc1cnc([C@H](C)NC(=O)c2nnc(O)c3ccccc23)[nH]1 952978235 PWFOIGZJSCTUIN-VIFPVBQESA-N 297.318 1.858 0 50 CDAA O=C(N[C@@H]1CC12CC(O)C2)c1ccc(-c2cn[nH]c2)cc1 1773792592 RTRKYWGFBRGJMK-NPCAHTBFSA-N 283.331 1.720 0 50 CDAA COC[C@H]1C[C@@H](O)CN1Cc1ncc(C(F)(F)F)[nH]1 1775987335 DZIIAQLPMMCUBU-HTQZYQBOSA-N 279.262 1.010 0 50 CDAA COc1nc(C)cc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)n1 1775961774 ZIGAOTKEBSRTGK-ZJUUUORDSA-N 290.327 1.244 0 50 CDAA O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc2c(c1)OCO2 246825992 SHYVDIFAYBMKLX-UMSPYCQHSA-N 277.320 1.696 0 50 CDAA CC(=O)N[C@@H]1CCCN(c2ncnc3cc[nH]c23)C1 1157964987 XJVXKBLZWXWAQE-SNVBAGLBSA-N 259.313 1.063 0 50 CDAA CC(C)[C@H]1CN(C)CCN1C(=O)NO[C@@H]1CCCCO1 166766614 FCANMRQJAYKPBQ-CHWSQXEVSA-N 285.388 1.426 0 50 CDAA CCNc1ncc(C(=O)N2CCSCC2)cn1 92078680 ZUSITFPGMRUACC-UHFFFAOYSA-N 252.343 1.097 0 50 CDAA CCc1nc(C(=O)N2CC[C@]3(CNc4ccccc43)C2)no1 631519280 CSZIGLRAJAAMKY-INIZCTEOSA-N 298.346 1.841 0 50 CDAA C[C@@H]1C[C@@H]1CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 408358119 MTUUQZKPTPGMIK-KKOKHZNYSA-N 260.403 1.092 0 50 CDAA COCC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F 408519912 PLZFQSWYUPIPTG-QMMMGPOBSA-N 296.314 1.298 0 50 CDAA CC(C)CS(=O)(=O)NC(=O)c1cnn2c1C[C@H](C)CC2 408502916 UNNKAOQRXMDUAK-SNVBAGLBSA-N 299.396 1.181 0 50 CDAA CCc1noc(C)c1NC(=O)C(=O)NC(C)(C)C 170609789 APDYCBNEAAPXHZ-UHFFFAOYSA-N 253.302 1.399 0 50 CDAA Cc1noc(C2CCN(C(=O)[C@H]3CCCOC3)CC2)n1 170795444 WRVSQYUTQVJGPG-LBPRGKRZSA-N 279.340 1.511 0 50 CDAA CO[C@@H]1CCC[C@@H]1NC(=O)COCc1ccccc1 225469215 DYFKLPAUYWZGAG-UONOGXRCSA-N 263.337 1.887 0 50 CDAA Cc1cc(NC(=O)NCCc2cn3ccccc3n2)on1 171142594 QYLUCMAYHCJHCI-UHFFFAOYSA-N 285.307 1.995 0 50 CDAA C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)[C@H]1CC1(C)C 225611901 KRVUZBRCNFMMSX-IJLUTSLNSA-N 274.430 1.435 0 50 CDAA C[C@H](O[C@@H](C)C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)C(=O)O 634870749 RXMAKMGORNSQOQ-MDEYVFOQSA-N 295.379 1.902 0 50 CDAA CC1=NO[C@H](CNC(=O)c2ccn(C(C)C)n2)C1 521395351 PEOQBESAYFNBMV-JTQLQIEISA-N 250.302 1.359 0 50 CDAA CCn1ncc(CSc2nc3nc(C)cc(C)n3n2)n1 521394998 NNCZZLCXLJXQFX-UHFFFAOYSA-N 289.368 1.645 0 50 CDAA O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccnc(Cl)c1 521394771 YBZHPCRGNUBDCO-WDEREUQCSA-N 293.754 1.618 0 50 CDAA Cc1cc(CNc2ncccn2)ccc1-n1cncn1 187924663 MHWROHGGTAIXGH-UHFFFAOYSA-N 266.308 1.978 0 50 CDAA O=S(=O)(NC[C@@H]1Cc2ccccc21)c1cccnc1 194352813 WITYXEKWGUFJRJ-LBPRGKRZSA-N 274.345 1.700 0 50 CDAA CC1(C)[C@H](C(F)(F)F)CCN1C[C@H]1CNC(=O)C1 585094338 LAQZRBYQEKJSNF-RKDXNWHRSA-N 264.291 1.785 0 50 CDAA O=C1OCC[C@@H]1NS(=O)(=O)c1csc2ccccc12 585081759 XHZSRHIAKLJCEK-VIFPVBQESA-N 297.357 1.495 0 50 CDAA CC[C@@H]1C(=O)NCCN1Cc1c(Cl)n[nH]c1C 585117211 UXDXZIUHBVNVLP-SECBINFHSA-N 256.737 1.082 0 50 CDAA Cc1noc([C@@H]2CN(C/C=C/c3ccccn3)CCN2C)n1 585117643 PPYFAAXTINCBGU-ZKKXHLJNSA-N 299.378 1.775 0 50 CDAA Nc1ccc(C(=O)N(CCO)Cc2ccc(F)cc2)cn1 1506406333 GVPYYQJCYJIWEM-UHFFFAOYSA-N 289.310 1.438 0 50 CDAA Cc1ncc(Cl)c(NCCOc2nonc2C)n1 1704303917 LMYGIDYQIAKVQQ-UHFFFAOYSA-N 269.692 1.621 0 50 CDAA O=C(O)CC1CCN(C(=O)C[C@@H]2CCCO2)CC1 110300708 LEHCFJIEUYCLRO-NSHDSACASA-N 255.314 1.269 0 50 CDAA COC[C@@H]1CCCN([C@@H](C)c2nnnn2C)CC1 331640501 MYMANOGGRVLWQT-WDEREUQCSA-N 253.350 1.020 0 50 CDAA OCc1nc(-c2cccc(CN3CCOCC3)c2)no1 1615553397 WMJRLVIAUHMDOE-UHFFFAOYSA-N 275.308 1.061 0 50 CDAA Nc1ccn2ncc(C(=O)N[C@@H]3CCO[C@H]3C3CC3)c2c1 1615549841 WUDRWVMCXVQLGF-OCCSQVGLSA-N 286.335 1.214 0 50 CDAA CCOC(=O)CCN(C1CC1)S(=O)(=O)[C@@]1(C)C[C@@H]1C 1615586641 CWJZYWDNAZNQTM-GWCFXTLKSA-N 289.397 1.532 0 50 CDAA COc1ccc(Br)cc1CNC(=O)[C@@H](C)N 156889314 DABNMYCOKBFJAV-SSDOTTSWSA-N 287.157 1.421 0 50 CDAA COC(=O)c1ccc(/C=C2\NC(=S)N(C)C2=O)cc1 94014 OIJMOFUIMBXZIR-YFHOEESVSA-N 276.317 1.161 0 50 CDAA CCn1ccc(C(=O)NCc2[nH]nc3ncccc23)n1 1772804993 WANSGCVZVISYEJ-UHFFFAOYSA-N 270.296 1.104 0 50 CDAA Cc1cnc(-c2nccn2-c2ccc3c(c2)nnn3C)cn1 1775980308 XYLUHBUGTGWFSK-UHFFFAOYSA-N 291.318 1.919 0 50 CDAA COc1ccc(CCN2C[C@H](NCC3CC3)CC2=O)cc1 11879737 DXGXZYYBKMIEMC-OAHLLOKOSA-N 288.391 1.838 0 50 CDAA CCn1nc(C(=O)NC)c2c1CC[C@H](NCC1CC1)C2 19299802 QRQOKNOUIBULHM-NSHDSACASA-N 276.384 1.120 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2S(=O)(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]12 169293339 GQQKMTDKKNGWRQ-XEUYMVSTSA-N 276.357 1.365 0 50 CDAA Cc1nn(C)c2c1[C@@H](NC(=O)c1csc(=N)[nH]1)CCC2 1857689736 WYZRRBHWBDYZSO-QMMMGPOBSA-N 291.380 1.405 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccccn2)n1 408054917 PTEPSYDTBZCFHB-SKDRFNHKSA-N 288.307 1.375 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)CC[C@@H]1CCOC1 328631609 RCBFURMONGTOGF-KGLIPLIRSA-N 291.395 1.721 0 50 CDAA CN(C)[C@@H](C(=O)NCc1nc[nH]n1)c1ccc(Cl)cc1 654596596 VQJVLFDDUMUSFI-GFCCVEGCSA-N 293.758 1.377 0 50 CDAA COC[C@H](NC(=O)c1ccc2c(c1)OCCO2)C1CC1 151922349 HAMCRMCYJCKEQE-LBPRGKRZSA-N 277.320 1.613 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)c1ccc2nccnc2c1 263454116 AJTJOWSYSLVJOD-ZYHUDNBSSA-N 299.330 1.955 0 50 CDAA C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1ccn(C)n1 902435844 VQNXNWZZZJXGMS-VCTAVGKDSA-N 256.353 1.695 0 50 CDAA O=C(NC[C@]12CCCC[C@H]1C2)[C@H]1CCc2nncn2CC1 927460738 XRGUBPWDAGOYBV-HEHGZKQESA-N 288.395 1.927 0 50 CDAA Cc1cscc1NC(=O)NC1CC(CC(N)=O)C1 930502678 HHPIGVZYDPUWKD-UHFFFAOYSA-N 267.354 1.832 0 50 CDAA Cc1ccc(NC(=O)[C@H](C)n2cncn2)cc1C(=O)O 110987598 OPHQLUAFNHUHJB-VIFPVBQESA-N 274.280 1.484 0 50 CDAA COc1ccccc1OCCSc1nc(N)cc(=O)[nH]1 4819991 QGHIESKTSJSULI-UHFFFAOYSA-N 293.348 1.532 0 50 CDAA CC(C)(C)n1cc(CN[C@H]2CCCOCC2)nn1 252490142 KKATUHRTFIIPSG-NSHDSACASA-N 252.362 1.692 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccc(F)cc1F 169980169 UMJUUBGIKNCILS-UHFFFAOYSA-N 258.073 1.218 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCc1ccccc1Cl 268882757 FJIYMMLGKHDQAE-NXEZZACHSA-N 267.712 1.719 0 50 CDAA COc1ccc(CN2CCC[C@H](S(C)(=O)=O)C2)cn1 274168028 NFFOUDLFDXEBSE-LBPRGKRZSA-N 284.381 1.099 0 50 CDAA C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@]1(C)CN 312679988 OZHRIAZDWFVIJF-BXUZGUMPSA-N 272.356 1.083 0 50 CDAA C[C@H]1C[C@H](NC[C@@H]2CCc3nccn3C2)C[C@@H](C)O1 328646214 SNLZTCFUDHKOBY-CRWXNKLISA-N 263.385 1.991 0 50 CDAA Cn1ncnc1CNC(=O)c1cc(Cl)nc(Cl)c1 389336654 OKCQHJIKCDSMBP-UHFFFAOYSA-N 286.122 1.447 0 50 CDAA O=c1nc2[nH][nH]c(-c3cnc4occc4c3)c-2c(O)n1 2325821483 SIDOWQSZRZSFJU-UHFFFAOYSA-N 269.220 1.112 0 50 CDAA O=C1Nc2ccccc2[C@](O)(C(=O)O)N1c1ccccc1 197341 GQJRKPKKZCYDOO-HNNXBMFYSA-N 284.271 1.968 0 50 CDAA Cc1cc(N)cc(C)c1OCC(=O)N1CCOCC1 308929 BWFSJJCYHKBKSC-UHFFFAOYSA-N 264.325 1.123 0 50 CDAA O=C(O)CCNS(=O)(=O)c1cccc(Cl)c1 613544 JBXVVIWGDKGSGK-UHFFFAOYSA-N 263.702 1.093 0 50 CDAA COCCCNC(=S)NC(=O)c1cccs1 2905920 BXYOKTHQCMSPST-UHFFFAOYSA-N 258.368 1.389 0 50 CDAA O=C(NCc1ccc2c(c1)OCO2)C(=O)NC1CCCC1 2837640 VVVWDXXRNLJJLO-UHFFFAOYSA-N 290.319 1.090 0 50 CDAA O=C(O)CCNC(=O)C(F)(F)C(F)(F)Cl 2831307 DZNGTPIGHSGYND-UHFFFAOYSA-N 251.563 1.044 0 50 CDAA COCCCNC(=S)NC(=O)c1ccc(C)cc1 2910826 GIWKZALBAQWTRW-UHFFFAOYSA-N 266.366 1.636 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@]23CCCN(C)C3=O)on1 2356154239 NQZNYPJEBZLUPW-HNNXBMFYSA-N 291.351 1.139 0 50 CDAA Cn1cnc2nc(N[C@@H]3c4ccccc4C[C@@H]3O)ncc21 2356166763 MPSKTQCQMMONLL-QWHCGFSZSA-N 281.319 1.434 0 50 CDAA COc1ccc2[nH]cc(CCNC(=O)N(C)C)c2c1 4856838 JLHLPVBVNVSIAW-UHFFFAOYSA-N 261.325 1.990 0 50 CDAA O=C(NCc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 8327837 BVXJHKZATHTRPA-UHFFFAOYSA-N 297.293 1.731 0 50 CDAA CCOc1ccc(S(=O)(=O)NCCOC)c(C)c1C 8714896 RYVVNTKMYRGKCW-UHFFFAOYSA-N 287.381 1.627 0 50 CDAA O=C(Cc1csc(-c2cnccn2)n1)NCc1ccc[nH]1 225437093 REJSZFOWJOZGRA-UHFFFAOYSA-N 299.359 1.787 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 101654277 YTULDZRSORQMNU-FCIDVOKBSA-N 297.310 1.769 0 50 CDAA Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)[nH]n1 225523699 BXFPXUZSABVPFR-ZDUSSCGKSA-N 284.319 1.031 0 50 CDAA Cc1csc(CCCNC(=O)CCCn2cncn2)n1 102483676 SNGMLDPTRQMPDW-UHFFFAOYSA-N 293.396 1.572 0 50 CDAA COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101146976 GGMSSPURHGBVSD-CDGCEXEKSA-N 297.310 1.785 0 50 CDAA c1ccc(CN2CCN([C@H]3CN4CCC3CC4)CC2)cc1 22455768 JYORXOOKHTUITD-SFHVURJKSA-N 285.435 1.898 0 50 CDAA Cn1nccc1[C@H]1OCC[C@@H]1NCC1CCOCC1 343389810 BEHQBKOOLVKBLL-JSGCOSHPSA-N 265.357 1.266 0 50 CDAA CCC(=O)c1ccc(OCC(=O)NCC2(C)COC2)cc1 112618299 HWBUVDAZBVBTNX-UHFFFAOYSA-N 291.347 1.811 0 50 CDAA CC(C)(C)OC(=O)[C@@](C)(O)CNC[C@]1(C)CCCCO1 1363575086 IKJQYCGYYKHCIF-GJZGRUSLSA-N 287.400 1.628 0 50 CDAA O=C1CCC(=O)N1Oc1c(F)c(F)nc(F)c1F 251314 YVPGALMTBDDEAT-UHFFFAOYSA-N 264.134 1.081 0 50 CDAA biogenic Cc1cn(Cc2nc(-c3ccsc3)no2)c(=O)[nH]c1=O 32553476 FROKJCYBEXCIPQ-UHFFFAOYSA-N 290.304 1.005 0 50 CDAA C[C@H](NC(=O)NCCc1ccccn1)C1=CCN(C)CC1 253424925 UXTZWBMHLDTKAS-ZDUSSCGKSA-N 288.395 1.574 0 50 CDAA CCOC1CN(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)C1 334064917 CRAOIAVBOIOASG-MWLCHTKSSA-N 264.329 1.319 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 151013986 AEZVNWYXZAELNW-CYBMUJFWSA-N 284.363 1.696 0 50 CDAA OC[C@@]1(F)CCN(Cc2ccc(-n3ccnc3)nc2)C1 367165543 VJXORCRUKRWIQI-CQSZACIVSA-N 276.315 1.174 0 50 CDAA C[C@H]1CCOCCN1C(=O)CNC(=O)CC1CCCCC1 367662232 NSFMSKLUUHHSAR-ZDUSSCGKSA-N 296.411 1.710 0 50 CDAA COCCN(Cc1cncs1)C(=O)[C@@H]1CCO[C@H]1C 330983059 QUYYGFYUCLTPFB-CMPLNLGQSA-N 284.381 1.543 0 50 CDAA Cn1cncc1CN[C@H]1CCN(CC(F)(F)F)C1 237944614 OYHUCHQURQCVEL-VIFPVBQESA-N 262.279 1.146 0 50 CDAA CCCN1CCN(Cc2ncnn2CCF)C(C)(C)C1=O 331308219 SUBCRRIVFGGWKK-UHFFFAOYSA-N 297.378 1.080 0 50 CDAA CCCN1CCCC[C@H]1C(=O)N1CCC[C@H](N)C1 158229219 JPWSMXSUBOAJBG-STQMWFEESA-N 253.390 1.201 0 50 CDAA CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](C)C2(CCC2)C1 378415313 NJFUKGMUYSUILF-VXGBXAGGSA-N 281.400 1.862 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)N1CCc2ccccc21 129682607 VHQGPVCHSRZTBE-LBPRGKRZSA-N 290.319 1.345 0 50 CDAA Cc1cc(CNC(=O)N[C@@H](C)[C@@H]2CCCOC2)on1 332850390 SYEWTBTTXMRSQR-WDEREUQCSA-N 267.329 1.597 0 50 CDAA C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(-c2ccccc2)on1 494773846 UWCNESRPPHXLIJ-NSHDSACASA-N 299.330 1.644 0 50 CDAA CCOc1ncc(C)cc1NC(=O)N1C[C@H]2CC[C@H]1CN2 333222463 AGJVHDHDJQZOLZ-NEPJUHHUSA-N 290.367 1.757 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H]1CC(=O)O 262957569 NNAIVUKOBVEUQE-SKDRFNHKSA-N 293.367 1.606 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)c2nnc3ccccc3n2)C1 280974445 OUDPXAOIXZZAPV-GFCCVEGCSA-N 299.378 1.581 0 50 CDAA CCn1ncnc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1 281967776 VLZVZZPIHRYURW-KGLIPLIRSA-N 290.342 1.745 0 50 CDAA O=C(O)CN1CCN(c2ccc(F)cc2Cl)CC1 263564086 DVIRTJKUYXZBPM-UHFFFAOYSA-N 272.707 1.686 0 50 CDAA CC(C)(C)c1nsc(NC[C@](C)(O)C(=O)O)n1 263560189 QXRMWWJANQSUNH-JTQLQIEISA-N 259.331 1.083 0 50 CDAA COc1cc(C(=O)N2CC=C(C)CC2)ccc1OCCN 426399452 SPQXICZLQZPMBQ-UHFFFAOYSA-N 290.363 1.825 0 50 CDAA CC(C)n1nccc1-c1ccc(N2CCN(C)CC2)nn1 426477305 ZVBCTGIDFZTGTO-UHFFFAOYSA-N 286.383 1.673 0 50 CDAA Cn1cc(CCC(=O)N2CC[C@](C)(O)C(C)(C)C2)cn1 91933980 YNOLYSHQLKLWTF-HNNXBMFYSA-N 279.384 1.362 0 50 CDAA Cc1noc(C)c1CNC(=O)N1CCC[C@H](CC(N)=O)C1 175384158 SZLFVLNBXUBOML-LLVKDONJSA-N 294.355 1.088 0 50 CDAA COCCc1nc([C@H]2COc3ccccc3O2)n(C)n1 95500223 CCHCKSUIGIEFBS-GFCCVEGCSA-N 275.308 1.517 0 50 CDAA OCc1nc([C@H]2CCOC2)nn1-c1cccc2cccnc12 97323985 LGCMDPHHIXDWOX-LBPRGKRZSA-N 296.330 1.812 0 50 CDAA CN(CCCCN1CCOCC1)c1ncccn1 91270186 YJIAENBKUUOFID-UHFFFAOYSA-N 250.346 1.025 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1cc(C)n(C(C)(C)C)n1 237254060 UYSJMALTHSTZDV-GFCCVEGCSA-N 278.400 1.771 0 50 CDAA O=C(O)CCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F 238177632 YDQXDBIWHPSAON-BDAKNGLRSA-N 269.247 1.659 0 50 CDAA CCC[C@]1(CO)CCN(c2ccc(C(=O)N(C)C)cn2)C1 288848555 JSKJNYKMRINWMS-INIZCTEOSA-N 291.395 1.772 0 50 CDAA O=C(O)CCC(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 244811723 SJZIXOGWFAKXPB-RWEMILLDSA-N 283.349 1.541 0 50 CDAA CS(=O)(=O)c1ncc2cnn([C@H]3C[C@@H]4C[C@@H]4C3)c2n1 247550912 VZJSTZPYFYERBO-DIYOJNKTSA-N 278.337 1.201 0 50 CDAA O[C@H]1C[C@@H](c2cc(NCC34CCCN3CCC4)ncn2)C1 240517126 NVIUSEFXQUEDJE-BETUJISGSA-N 288.395 1.755 0 50 CDAA CCOC(=O)c1nc(=NC(=S)c2ccccc2)[nH]s1 521398996 RONQSXUXFGBLPL-UHFFFAOYSA-N 293.373 1.924 0 50 CDAA C1=C[C@H]2[C@H]3[C@H]4[C@H](C=C[C@H]4C24OCCO4)C2(OCCO2)[C@@H]13 257358483 USURGVHPVPDANX-GAURVVSWSA-N 274.316 1.337 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)Nc1ccc(F)cn1 296811522 MBMSWYUHKJSCAH-LLVKDONJSA-N 266.320 1.827 0 50 CDAA O=C1CC(=C2[C@@H]3C(=O)[C@H]4C[C@H]5C(=O)[C@@H]2[C@@H]2[C@@H]5[C@H]4[C@@H]32)C1 257358695 VUTMCDQVXOPOJF-XGXQNKSRSA-N 254.285 1.172 0 50 CDAA O=C(O)Cc1ccc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cc1 534646677 VDXSWYOZOWBRTM-GEEKYZPCSA-N 286.375 1.496 0 50 CDAA Cc1[nH]nc(O)c1CC(=O)N[C@H](c1nccn1C)C(C)C 534644084 FOXIHAAQNNKVIM-LBPRGKRZSA-N 291.355 1.213 0 50 CDAA COc1cc(C)ccc1C(=O)NCc1n[nH]c(=N)s1 534653662 MXTYHLYCIIFQDV-UHFFFAOYSA-N 278.337 1.198 0 50 CDAA Cc1nc(NC(=O)CCc2ccsc2)n(C)n1 183744363 VVCOUMLLMDCFTH-UHFFFAOYSA-N 250.327 1.756 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCO1 299740507 BELJSBJJGVHPNZ-AGIUHOORSA-N 293.294 1.241 0 50 CDAA CC(C)[C@@H](C(=O)N[C@H](C)CO)N1Cc2ccccc2C1=O 299754336 BCKMAVHWUXPSMB-RISCZKNCSA-N 290.363 1.164 0 50 CDAA biogenic COCCn1cnnc1CN(C)Cc1scnc1C 824463853 GBAXKAFIJRSVTF-UHFFFAOYSA-N 281.385 1.321 0 50 CDAA OC1(CN2CCCC2)CCN([C@@H]2CCSC2)CC1 828605333 JGHDERYAFLIZPJ-CYBMUJFWSA-N 270.442 1.415 0 50 CDAA CCC[C@@H]1COCCN1C(=O)CN1CCCCCC1 822812321 YICBAGCQNBRFEE-CQSZACIVSA-N 268.401 1.890 0 50 CDAA Cc1nc2ccc(CNS(=O)(=O)N3CCCC3)cc2[nH]1 585400089 FZXHFCZTVQHWDK-UHFFFAOYSA-N 294.380 1.302 0 50 CDAA COc1cccc2ncn(CCCn3cccn3)c(=O)c12 584894289 SHBLZLDVDVFHGB-UHFFFAOYSA-N 284.319 1.692 0 50 CDAA Cc1nn(C)cc1Cn1cnc2ccc(F)cc2c1=O 584901962 OZSXYGBMFIHJIX-UHFFFAOYSA-N 272.283 1.626 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)[C@H]1CC[C@@H](O)CC1 584903220 YAKNCTNZTHQYJQ-OTVXOJSOSA-N 282.428 1.870 0 50 CDAA O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2nc[nH]c2c1 585135783 BCZLDULKFIOQMY-SNVBAGLBSA-N 299.330 1.731 0 50 CDAA NCCc1ccc(CNCc2cccc(CO)c2)cc1 952972469 FOTLKPFXDIDVLB-UHFFFAOYSA-N 270.376 1.970 0 50 CDAA Cc1cccc(CCN[C@@H](C)CN(C)CCO)c1 952974474 JAUMMRRSPYXYDQ-AWEZNQCLSA-N 250.386 1.440 0 50 CDAA Cc1ccc2oc(C(=O)N3CCOC[C@H]3C(=O)O)cc2n1 268978370 LGLGRECNXSKYPJ-JTQLQIEISA-N 290.275 1.062 0 50 CDAA CN(C)c1ccnc(N2CCOCC3(CCOCC3)C2)n1 302185872 UDHYWTZSNAPEMM-UHFFFAOYSA-N 292.383 1.176 0 50 CDAA Cc1cnn(CC(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)c1 630275207 SPIGVLRDJRZFQO-AGIUHOORSA-N 291.351 1.293 0 50 CDAA CCn1c(SC[C@H]2CNC(=O)O2)nnc1-c1ccco1 408526036 IGMZHAOXDRBZFB-MRVPVSSYSA-N 294.336 1.759 0 50 CDAA Cc1noc(C)c1CO[C@H]1CCN(Cc2cn(C)nn2)C1 546586595 MDLZSOHSPLRSHK-ZDUSSCGKSA-N 291.355 1.211 0 50 CDAA Cc1ccc(S(N)(=O)=O)c(N2CC[C@]3(CCOC3)C2)c1 631161478 RUXDRSDKHZDWMN-AWEZNQCLSA-N 296.392 1.259 0 50 CDAA O=C1COC(=O)N1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 585133072 QUKUEGMNSYNKBL-MNOVXSKESA-N 280.324 1.146 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(Cn2cccn2)CC1 187868080 BRDHNRRDYUFUJR-ZFWWWQNUSA-N 291.395 1.937 0 50 CDAA C[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)C[C@H](CO)O1 188905611 YPBCJWSZYOXNBX-KWCYVHTRSA-N 290.363 1.118 0 50 CDAA COC[C@]1(CO)CCN(Cc2cccc3c2CCOC3)C1 639666276 LMHMUZWQKXWBLP-QGZVFWFLSA-N 291.391 1.590 0 50 CDAA C[C@H](NC(=O)[C@H]1CCN(C)C1)c1cn(-c2ccccc2)nn1 560371796 XFRVCMRBIJGUDH-STQMWFEESA-N 299.378 1.396 0 50 CDAA CC1(C)CNCC[C@H]1NCc1ncnn1-c1ccccc1 577845515 NDJIOUDWLQHQEM-CQSZACIVSA-N 285.395 1.745 0 50 CDAA CCOC(=O)CN(C(=O)[C@H]1CCCO[C@@H]1C)C(C)(C)C 193840085 LZALBZWZXMZXER-NEPJUHHUSA-N 285.384 1.992 0 50 CDAA O=C(O)c1ncsc1S(=O)(=O)NCC1=CCCC1 663443509 HNQYJGBTPXTREN-UHFFFAOYSA-N 288.350 1.230 0 50 CDAA Cc1cc(C)c(CC(=O)NC[C@H]2CNCCCO2)c(C)c1 564826963 VQNQHVZTPHCTCD-OAHLLOKOSA-N 290.407 1.649 0 50 CDAA Cc1coc(C(=O)N2CCC[C@@H](n3cncn3)C2)c1C 585081677 GMJLTUCKNLHWPP-GFCCVEGCSA-N 274.324 1.965 0 50 CDAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@@H]2C[C@H]2C)n1 195579009 QAUYCXFMAAIGEO-LDYMZIIASA-N 286.339 1.809 0 50 CDAA Cc1cc(NC(=O)N[C@@H](CO)Cc2ccccc2)nn1C 195568923 KETBMAYYRWEILE-CYBMUJFWSA-N 288.351 1.454 0 50 CDAA Cn1cc(Cl)cc1C(=O)NCCC(=O)Nc1ncc[nH]1 585088111 KLVVEVSWUSIVFL-UHFFFAOYSA-N 295.730 1.160 0 50 CDAA Cc1ccc(=O)n(CC(=O)N(C)[C@H](C)C2CCCCC2)n1 585080047 OFQHQGPKOSSMCU-CYBMUJFWSA-N 291.395 1.979 0 50 CDAA Cn1nncc1CC(=O)N1CCC[C@H]1Cc1ccccc1 665823555 IYQUPVAUROUYQX-AWEZNQCLSA-N 284.363 1.591 0 50 CDAA CC(C)c1nc(CN2CCN3CCCC[C@H]3C2)no1 244690848 IYAIXZNKVAJVJV-LBPRGKRZSA-N 264.373 1.863 0 50 CDAA Cn1nc(C2CC2)nc1CN[C@]12CCC[C@H]1NCC2 1615058614 PCTZHLJHBXTYKX-RISCZKNCSA-N 261.373 1.067 0 50 CDAA CCOC1CC(CCNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)C1 1615553267 ICWXYBCFUZRVBF-FGDYVZSTSA-N 280.412 1.681 0 50 CDAA COC1CCC(CNC(=O)[C@H]2NCC23CCCC3)CC1 1615550457 RCTWMSFBDDLASB-JXQTWKCFSA-N 280.412 1.840 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cnn(-c4ccncc4)c3)C[C@H]21 1615613644 AUOCCSVIDJAMNG-UOVKNHIHSA-N 297.362 1.579 0 50 CDAA CN(C)Cc1ccc(NC(=O)Cc2ccco2)nc1 1615605865 NWCFOYXDHJULGA-UHFFFAOYSA-N 259.309 1.917 0 50 CDAA CC1(C)CN(S(=O)(=O)CC2CCC2)[C@H]2COC[C@H]21 1616027620 HNQFMCYFLRGJEE-NEPJUHHUSA-N 273.398 1.473 0 50 CDAA NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1 183231 CAQGZBMVALQNCM-SNVBAGLBSA-N 254.280 1.662 0 50 CDAA COCCN1CC[C@H](C(=O)Nc2cnn(C(C)C)c2)C1 1506399321 DTDCOYRVPCHEEJ-LBPRGKRZSA-N 280.372 1.371 0 50 CDAA CCCCC[C@H](C)NC(=O)N1C[C@H](CO)[C@@H](CO)C1 1857532580 RLSLXEHFQDDRAE-YNEHKIRRSA-N 272.389 1.197 0 50 CDAA CC(C)(C)c1noc(CNC(=O)c2ccns2)n1 1857681751 AFQDGSCEYFOLHN-UHFFFAOYSA-N 266.326 1.754 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N1CCc2nocc2C1 1857702236 FRMRZDSJPXSCMH-UHFFFAOYSA-N 288.351 1.542 0 50 CDAA COC(=O)[C@H]1CCc2nnc([C@H]3CCCO3)n2CC1 601044409 PLUHXDIORXZCIN-VHSXEESVSA-N 265.313 1.255 0 50 CDAA COc1cccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)O)c1OC 213347275 PIQXODUCEQQPRJ-NEPJUHHUSA-N 293.319 1.350 0 50 CDAA CC(=O)c1cnc(N[C@H]2CCC(=O)N(C)C2)nc1C 1704313569 QVVHAFITEYCVBB-JTQLQIEISA-N 262.313 1.020 0 50 CDAA CCSc1nccnc1C(=O)N(C)C1CCN(C)CC1 430392296 IWJDDWFZMCFURK-UHFFFAOYSA-N 294.424 1.755 0 50 CDAA Cc1ccc(C(=O)OCc2nc(O)n[nH]2)c(Cl)c1 755654955 HDBOTGDBXCOOLB-UHFFFAOYSA-N 267.672 1.829 0 50 CDAA Cc1nccn1CCCC(=O)N1C[C@H](C)N[C@H](C)C1 153829213 GYDVCMUOIDSDRT-TXEJJXNPSA-N 264.373 1.181 0 50 CDAA CC(C)c1nnc([C@H]2CN(CCC(C)(C)O)CCO2)o1 369399723 VHEJBJHIRNFVDG-LLVKDONJSA-N 283.372 1.727 0 50 CDAA Cc1nnnn1Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(C)C2)cc1 1772806899 LWUHYWIBGCFCAO-ZBFHGGJFSA-N 297.362 1.512 0 50 CDAA CN1CCC2(CC1)OCCN2C(=O)c1cccs1 13722675 QAEMIOIFYDKPGZ-UHFFFAOYSA-N 266.366 1.642 0 50 CDAA CC(C)[C@H]1CN2C[C@H](NC(=O)c3ccncc3)C[C@H]2CO1 1857684220 DJLRKUDFHZBFQV-QLFBSQMISA-N 289.379 1.309 0 50 CDAA O=C1NCC[C@H]1n1ccnc1C1=Cc2ccccc2OC1 1875240527 AHZMXCBBCVIEGS-CYBMUJFWSA-N 281.315 1.877 0 50 CDAA Cc1cc(C(=O)O)nc(-c2ccc([C@@H]3CNC(=O)C3)cc2)n1 1875250354 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CN(Cc1nc(O)n[nH]1)C(=O)[C@H]1Cc2ccc(Cl)cc21 1875296192 JRSYZVBFUUTWRK-JTQLQIEISA-N 292.726 1.462 0 50 CDAA O=C(Nc1cncs1)c1cc(O)nc(C2CC2)n1 1875268328 WVBRPTNGYDUIQG-UHFFFAOYSA-N 262.294 1.768 0 50 CDAA Cc1noc(=O)n1CCC(=O)Nc1cccc(Cl)c1 1875391586 FHZUIERKCJDHPV-UHFFFAOYSA-N 281.699 1.827 0 50 CDAA C[C@@H](NC(=O)/C=C/CN(C)C)[C@H](O)Cc1ccccc1 1875375413 CCQWUESTNSKLMB-VINFDWDVSA-N 276.380 1.213 0 50 CDAA O=C(O)c1cc(CNc2nncc3ccoc23)[nH]n1 1875333380 QPYFXPIFKAVWGD-UHFFFAOYSA-N 259.225 1.256 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1cnco1 1565528649 CCTWDQFINHYVMA-JQWIXIFHSA-N 289.291 1.036 0 50 CDAA CC1CCN(C(=O)CCNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 1565508229 YZALYBHOLHWBSA-ZNMIVQPWSA-N 290.407 1.963 0 50 CDAA Cn1cnnc1C[C@@]1(O)CCCN(CC2=CCCCC2)C1 888077666 OMUKLQHDXJXHEH-INIZCTEOSA-N 290.411 1.685 0 50 CDAA COc1nn(C)cc1CNC(=O)[C@H]1CCc2cccnc21 890027744 CHVKRMZENKZIOE-LBPRGKRZSA-N 286.335 1.170 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cnc4ccccn34)C[C@@H]21 1775961338 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1334821349 XPEHIGCMXPQXKD-QMMMGPOBSA-N 268.338 1.331 0 50 CDAA CO[C@H](CS(=O)(=O)Nc1cnc(C)cn1)C(C)C 903655765 IQEJIWJJCVZJJD-SNVBAGLBSA-N 273.358 1.198 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)NCCC(=O)O)c1 1506416070 SUERMDIQLZOHHJ-UHFFFAOYSA-N 265.313 1.315 0 50 CDAA CN(Cc1cnc2ccccn12)c1cncc(N)n1 1857678426 YBCPKXCARIDQKZ-UHFFFAOYSA-N 254.297 1.343 0 50 CDAA COC[C@@H]1CCC[C@@H]1Nc1nc(C)nc2c1cnn2C 215045560 VHDQLFFYNGEOLF-JQWIXIFHSA-N 275.356 1.899 0 50 CDAA Cc1cc(C(N)=O)c(N2CCC[C@@H](O)CC2)nc1C 1704341468 SRUZTGAFSKMAAD-LLVKDONJSA-N 263.341 1.149 0 50 CDAA CN(C)C(=O)CN1CCC(N[C@H]2CCCC[C@@H]2F)CC1 1615587442 LZIILUQVCKIKDY-KBPBESRZSA-N 285.407 1.409 0 50 CDAA Cc1conc1C(=O)N1C[C@@H](N(C)C)C2(CCOCC2)C1 1615615723 VLDNCXZCEUULKT-GFCCVEGCSA-N 293.367 1.166 0 50 CDAA CC(C)Nc1nnc(SC[C@H](O)[C@@H](C)O)s1 1615541256 KKEOQWWDRULSLG-RQJHMYQMSA-N 263.388 1.192 0 50 CDAA C[C@H](CS(=O)(=O)N[C@H](C)c1nncn1C)C(C)(C)C 1616037425 BMYFLHTYVUFCIN-NXEZZACHSA-N 288.417 1.478 0 50 CDAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1onc2ncccc12 1775981131 PLMYBLIKHMFEDK-VIFPVBQESA-N 283.291 1.233 0 50 CDAA COc1ccccc1OCCN(C)CC[C@@H]1COCCO1 1775979471 IOARUOFEZZQBJF-CQSZACIVSA-N 295.379 1.811 0 50 CDAA CN1C[C@@H](CN2CCC(N3CCCCC3)CC2)CCC1=O 1775983757 APIDDHSSTCGTNA-HNNXBMFYSA-N 293.455 1.805 0 50 CDAA Cn1cc[n+](C)c1CCCCCCCc1n(C)cc[n+]1C 1775977481 ZESWCRPFQFRJRT-UHFFFAOYSA-N 290.455 1.748 0 50 CDAA CC(C)CCC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 12713661 IVXHTUNNFSRSNO-LBPRGKRZSA-N 282.384 1.306 0 50 CDAA CC(C)(C)CN1CCC[C@](O)(CNC2CCC2)C1=O 15073782 FSEHGXFNIAPKFP-HNNXBMFYSA-N 268.401 1.528 0 50 CDAA O[C@@H]1C[C@@H]2CN(c3ncc(F)c(N4CCCC4)n3)C[C@@H]2C1 1857687183 QCIYWNSQRIIBLZ-ZSBIGDGJSA-N 292.358 1.423 0 50 CDAA COc1ccccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857729560 DVVWSZSYIIOMDH-AVGNSLFASA-N 290.363 1.287 0 50 CDAA CN=[S@](C)(=O)CCN=c1[nH]c2ccccc2o1 408518489 KNPIQCKTDIZSBU-QGZVFWFLSA-N 253.327 1.389 0 50 CDAA CC(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 2011302 IEYNXHCBGBVCPE-UHFFFAOYSA-N 263.293 1.127 0 50 CDAA in-vitro C[C@@H](O)[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1 2392297 VTXCJGLSFIOQNL-KOLCDFICSA-N 267.281 1.089 0 50 CDAA in-vitro Cc1noc([C@H]2C[C@H](O)CN2c2nc(C3CC3)ns2)n1 328613271 RKMHJXMPAAGYIB-DTWKUNHWSA-N 293.352 1.419 0 50 CDAA CO[C@@]1(C)C[C@@H](N(C)C(=O)CC2(N)CCC2)C1(C)C 237154833 NTBDWGSMLITACS-RISCZKNCSA-N 268.401 1.920 0 50 CDAA COC[C@H](N)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 262319343 QDJMGYITGZKQRO-SDBXPKJASA-N 284.306 1.384 0 50 CDAA CCOC1CC(C(=O)N2CCOC[C@H]2c2noc(C)n2)C1 376930482 HNPJIIOPGWSJQN-MCIGGMRASA-N 295.339 1.093 0 50 CDAA CN1CCN(Cc2nnnn2C(C)(C)C)C[C@@H]1C(C)(C)C 585116477 YFIVAQOXLFZDGU-GFCCVEGCSA-N 294.447 1.590 0 50 CDAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)CCn1cc(Cl)cn1 263166005 IWPMIMHLTWVGIK-UWVGGRQHSA-N 299.758 1.638 0 50 CDAA COc1cnc(NC(=O)N2CCC[C@@H]3C[C@@]32C(=O)O)s1 900319016 FZOSLNXNMUEOJS-KRTXAFLBSA-N 297.336 1.623 0 50 CDAA COc1cnc(NC(=O)Cc2ccc(OC)cc2C)nc1 905062694 NNQQBBUBPJFAOE-UHFFFAOYSA-N 287.319 1.983 0 50 CDAA Cc1cc(=O)c(C(=O)N[C@H]2COCc3ccccc32)c[nH]1 905956670 VWNBQJQGYJYSFG-AWEZNQCLSA-N 284.315 1.685 0 50 CDAA C[C@]1(CNC[C@@H](O)c2cccnc2)CCO[C@@H]1C1CC1 819231937 FZEGCIHRBUQYBG-BZUAXINKSA-N 276.380 1.910 0 50 CDAA OC1(CN2CC[C@@H](Oc3cccnc3)C2)CCOCC1 157274972 PNBBXQAWHAQDAW-CQSZACIVSA-N 278.352 1.076 0 50 CDAA O=C(O)CCCC(=O)N[C@@H]1COC2(CCCCC2)C1 426535636 PZHMMJVKTNWDKT-NSHDSACASA-N 269.341 1.849 0 50 CDAA CCc1cnc(N)nc1N(C)Cc1cnn(CC)c1 95375895 GUPOHQKDIQERKV-UHFFFAOYSA-N 260.345 1.474 0 50 CDAA c1ccc(-n2cc(CNCC3OCCCO3)cn2)cc1 716313431 BOPSIMMZFZASNV-UHFFFAOYSA-N 273.336 1.725 0 50 CDAA O=C(c1ccc(C(F)(F)F)cc1)N1C[C@H](O)[C@@H](F)C1 1615751340 IWZQICJCIHPJBC-UWVGGRQHSA-N 277.217 1.860 0 50 CDAA COC(=O)c1nc[nH]c1NC(=O)c1ccc2c(n1)CCC2 2325767685 YGDUIEZULSHVPA-UHFFFAOYSA-N 286.291 1.332 0 50 CDAA CC(C)n1ccc(C[C@@](C)(C(=O)O)n2cccn2)n1 2325771530 CQPPOQYYLNIOMD-ZDUSSCGKSA-N 262.313 1.703 0 50 CDAA O=C(c1nn(-c2cccc(F)c2)cc1O)N1CC[C@@H]2C[C@@H]21 2325796703 FOOPMLAMFRNRPS-SKDRFNHKSA-N 287.294 1.951 0 50 CDAA CO[C@@]1(CN(C)c2nc(=N)[nH]c3c2CCCC3)CCOC1 2325799313 LBJZAXSZIJGFOW-OAHLLOKOSA-N 292.383 1.010 0 50 CDAA CCOC(=O)c1c(N)sc(C(=O)N2CCOCC2)c1C 109989 WPMZPAJOIYHKGD-UHFFFAOYSA-N 298.364 1.288 0 50 CDAA CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 241172 KUHQJTISYAFYHN-UHFFFAOYSA-N 288.328 1.978 0 50 CDAA O=C1OC[C@H]2CN(Cc3nc4c(s3)CCCC4)C[C@@H]12 2356140450 JMOMASFCLSXFON-NXEZZACHSA-N 278.377 1.627 0 50 CDAA O=C(NCc1cn2ccncc2n1)c1ccc2ccccn12 2356144549 CMLVRVMFGPHIJG-UHFFFAOYSA-N 291.314 1.912 0 50 CDAA Cc1nn(Cn2ccc(C(=O)O)n2)c(C)c1Cl 2535142 WDLROUFCNIEHEV-UHFFFAOYSA-N 254.677 1.554 0 50 CDAA COC(=O)C(C)(C)NC(=O)CCOc1ccc(OC)cc1 2884844 PITBUHOWQQNXRG-UHFFFAOYSA-N 295.335 1.532 0 50 CDAA CCOC(=O)/C=C/C(=O)Nc1sc(C)c(C)c1C(N)=O 2942517 HTXZUCABDGPLRG-AATRIKPKSA-N 296.348 1.522 0 50 CDAA CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC(C)C)C1 4711984 SIXZBINDSDOFSA-LBPRGKRZSA-N 290.429 1.210 0 50 CDAA C[C@H](c1ccccc1)N1C(=O)C[C@@H](N2CCOCC2)C1=O 4837896 WAAUHEXNMRRHAK-TZMCWYRMSA-N 288.347 1.207 0 50 CDAA CCCC(=O)Nc1cccc(NC(=O)c2nc[nH]n2)c1 4868268 NPUHNYALLJAEDI-UHFFFAOYSA-N 273.296 1.796 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 100254205 AIFNWZHPCZBGMK-UKJIMTQDSA-N 254.289 1.702 0 50 CDAA COc1ccc(F)cc1S(=O)(=O)NC(C)(C)C 10301797 IEIVDXBSFAAJSW-UHFFFAOYSA-N 261.318 1.911 0 50 CDAA O=C(NCc1cccc(C(=O)O)c1)NCC1CCOCC1 111181261 FBMIXLNPDKOJGR-UHFFFAOYSA-N 292.335 1.611 0 50 CDAA Cc1c[nH]c(CN(C)C(=O)CCC(=O)NC2CCCC2)n1 55569033 MLCWRQLLJIAEGF-UHFFFAOYSA-N 292.383 1.516 0 50 CDAA C[C@H](C(=O)NCCc1cn2ccccc2n1)n1cccn1 20636973 RSKKWIFJTNXRMJ-GFCCVEGCSA-N 283.335 1.451 0 50 CDAA Cc1ccc2c(c1)NC(=O)[C@H]2CC(=O)N1CC=CC1 101831214 ZUDLPHWBSSHWJM-LBPRGKRZSA-N 256.305 1.819 0 50 CDAA C[C@H](Oc1ccc(F)cc1F)C(=O)NN1CCN(C)CC1 1460424 WRCRMSXLMUSXSM-JTQLQIEISA-N 299.321 1.011 0 50 CDAA Cc1cc2n(CCN3CCOCC3)c3ccccc3n2n1 22064842 BPDIDVBORKURSJ-UHFFFAOYSA-N 284.363 1.930 0 50 CDAA Cc1cc(OCCOCCNCCN)cc(C)c1Cl 22034170 IGFBTJUQDDPBHJ-UHFFFAOYSA-N 286.803 1.901 0 50 CDAA 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CC(C)c1cc(C(=O)N2C[C@@H]3C[C@]3(C)C2)nc(N)n1 1772804545 BPVOWKJWDJTVIG-LKFCYVNXSA-N 260.341 1.664 0 50 CDAA CCCCS(=O)(=O)NCc1cccn2nccc12 1772808051 FYVHSLNTIDYKJS-UHFFFAOYSA-N 267.354 1.554 0 50 CDAA Cc1cc(C)c(C(=O)N2CCO[C@@H](CCN(C)C)C2)o1 12050974 DVZBQBMEEAWLEM-ZDUSSCGKSA-N 280.368 1.689 0 50 CDAA O=c1[nH]cnc2c1cnn2Cc1ccccc1Cl 13113941 ONOUFNVKSPEJPV-UHFFFAOYSA-N 260.684 1.821 0 50 CDAA COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 16489938 YMRRDZZHCJKMDI-SNVBAGLBSA-N 273.354 1.317 0 50 CDAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)cc1 17043031 ZVVBMEQNAHBING-GFCCVEGCSA-N 292.360 1.748 0 50 CDAA CCNc1nccnc1N1C[C@@H](C)O[C@H](C2CC2)C1 408521892 ACBUTYXKKHRDKQ-PWSUYJOCSA-N 262.357 1.912 0 50 CDAA O=C(CCc1ccc(O)nc1)N1CC[C@H](O)C12CCCC2 329435018 LJICXDGFBGJYFF-ZDUSSCGKSA-N 290.363 1.626 0 50 CDAA COCC1(CNC(=O)Nc2cnc(N(C)C)nc2)CCC1 331854499 JEKBLTQDIZTXSS-UHFFFAOYSA-N 293.371 1.481 0 50 CDAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]([C@H](C)N)C1 237413578 AOQWCKFXIRHPJK-GWCFXTLKSA-N 294.399 1.002 0 50 CDAA 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289.339 1.358 0 50 CDAA C[C@@H](Cn1cccn1)NCCCc1nnc2ccccn12 584901542 SVUOUBXSTNOKMR-ZDUSSCGKSA-N 284.367 1.537 0 50 CDAA O=C(CC1CCCC1)NCCN1CCCC[C@@H]1CO 670467763 FHDGZCBIAPCBSU-CQSZACIVSA-N 268.401 1.530 0 50 CDAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H](Cn2ccnn2)C1 269804922 ANRZEYIUODUEQM-ZQDZILKHSA-N 286.379 1.729 0 50 CDAA CCN1CCC[C@@H]1Cn1cnc2ncccc2c1=O 584885233 HIRROSNIINLSTP-LLVKDONJSA-N 258.325 1.276 0 50 CDAA CCc1nccn1CCC(=O)N(C)C[C@H]1CCOC1 670460095 AORLQDHBMRQEPZ-GFCCVEGCSA-N 265.357 1.331 0 50 CDAA Cc1cc(O)c(COC(=O)[C@@H]2Cc3ccncc3C2)nn1 1875254900 HMFMAMGFEWXXIZ-LLVKDONJSA-N 285.303 1.344 0 50 CDAA Cc1nc(C2CN(c3cc(O)nc4ncccc34)C2)no1 1875295155 RZMAELTZTTXAKD-UHFFFAOYSA-N 283.291 1.631 0 50 CDAA C[C@H](C(=O)Nc1ccc(-n2nccn2)cc1)[C@@H]1CCNC1 1875287330 FKRJLTDMNNXMLP-NWDGAFQWSA-N 285.351 1.451 0 50 CDAA C/C=C/C(=O)N[C@@H](C(=O)OC)[C@H]1CCc2ccccc21 1875290317 RTSCHNFLYSSONO-WBSOJBIMSA-N 273.332 1.950 0 50 CDAA O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1NCC[C@@H]1C1CC1 1875288706 YIDDTTRJGHXBJZ-ARFHVFGLSA-N 288.391 1.094 0 50 CDAA CCCN(CCO)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875393760 RRVVGCVILJHCGW-VHSXEESVSA-N 281.356 1.276 0 50 CDAA CC(C)O[C@@]1(C)C[C@H]1NC(=O)C1(Oc2cnn(C)c2)CC1 1875404611 OPDFFFOXWXBILC-OCCSQVGLSA-N 293.367 1.404 0 50 CDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1ccsc1 1565530724 PDQDSLASMUSZOG-ATGSNQNLSA-N 294.420 1.514 0 50 CDAA CC[C@@H]1CCN(C(=O)/C=C/c2cnc(N(C)C)nc2)C1 952871733 CUGXORGWRRBMBD-BTDICHCPSA-N 274.368 1.814 0 50 CDAA COCCn1cc(Nc2ccc3c(c2)NC(=O)NC3)cn1 1174553152 VHBRKUPYMNTXQA-UHFFFAOYSA-N 287.323 1.908 0 50 CDAA C[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc[nH]n2)cc1 1775992667 MEOCEQQHKHSNKJ-CABZTGNLSA-N 256.309 1.744 0 50 CDAA Cc1cccc2[nH]cc(CCC(=O)N3CC(C)(C(N)=O)C3)c12 1775986576 UQQOXNKPAGMWFB-UHFFFAOYSA-N 299.374 1.743 0 50 CDAA Cc1noc(C2CN(C(=O)c3ccn(CC(F)F)n3)C2)n1 1776002603 VWVUGKWMZIIQOX-UHFFFAOYSA-N 297.265 1.079 0 50 CDAA Cc1cc(CN2Cc3nc(C4CC4)nc(O)c3C2)on1 1422190539 HGOVZRUJUJGUIT-UHFFFAOYSA-N 272.308 1.872 0 50 CDAA CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@H]1C(=O)O 1083104361 MRYDRSPUGRYMMW-FAFNCHIJSA-N 250.294 1.707 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCC(c2ccncc2)CC1 1348293767 BNWULMZGUZEJIR-UHFFFAOYSA-N 287.363 1.432 0 50 CDAA CCS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 19520361 PHSQJLJAXVMJFU-UHFFFAOYSA-N 286.372 1.293 0 50 CDAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)CNC)C1 168340197 DGMWIAHOUMRRRU-QWHCGFSZSA-N 278.400 1.465 0 50 CDAA CN(Cc1csc2ccccc12)C(=O)[C@H]1C[C@@H](O)CN1 276609966 HGSJVZJSUOUEAJ-DGCLKSJQSA-N 290.388 1.583 0 50 CDAA CO[C@H]1CN(C(=O)CCc2ccco2)C[C@H]1OC 277023464 JJPPSHRBALANSU-TXEJJXNPSA-N 253.298 1.084 0 50 CDAA Cc1ccc(F)cc1CN(C)CC(=O)N1CCC(O)CC1 170070016 MQHVGSACBDOIPI-UHFFFAOYSA-N 294.370 1.549 0 50 CDAA CCOc1ccc(CN2C[C@@H](C)[C@H](C(N)=O)C2)cc1F 408473878 OUBUGMMIAZAXNR-ZYHUDNBSSA-N 280.343 1.778 0 50 CDAA Cc1nnc(NC(=O)[C@@H]2CCCO[C@H]2C(C)C)n1C 408474884 WUZOCAZSRMMOML-MNOVXSKESA-N 266.345 1.513 0 50 CDAA COC(=O)N1CCC[C@@H](C(=O)Oc2c(C)nn(C)c2C)C1 170640388 HHQJJXQMJUAZCO-LLVKDONJSA-N 295.339 1.421 0 50 CDAA O[C@H]1C[C@@H](c2ccc(F)cc2)N(c2ncnc3nc[nH]c23)C1 225512867 ULMBKBPEIVEGOK-RYUDHWBXSA-N 299.309 1.804 0 50 CDAA O=C(Cn1cnc(-c2nccs2)n1)N1CCCCCC1 225826457 WGGHYCNQOHIKNE-UHFFFAOYSA-N 291.380 1.804 0 50 CDAA CCc1cnc(CC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)[nH]1 635623205 NWVPEPXKJOAYSY-KCPJHIHWSA-N 291.395 1.834 0 50 CDAA O=C(c1ccncc1C(F)(F)F)N1CCn2cnnc2C1 282142898 ICKWQRCRABLAEU-UHFFFAOYSA-N 297.240 1.348 0 50 CDAA O=C([C@@H]1CCNC1)N1CCN(c2cccc3[nH]ccc23)CC1 638633447 ZLHQZUXNRHVJMD-CYBMUJFWSA-N 298.390 1.426 0 50 CDAA Cc1nccc(N2CCN(CC[C@@H]3CCCO3)CC2)n1 189974809 WFTSXJITNSORLM-AWEZNQCLSA-N 276.384 1.476 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2c[nH]cc2C)C1 644118433 KJAJYSVXISBARP-PWSUYJOCSA-N 274.324 1.648 0 50 CDAA CCOc1ccccc1CCC(=O)N1CCC[C@@H](N)C1 191337631 FFDZLMUBTWZDGZ-CQSZACIVSA-N 276.380 1.968 0 50 CDAA Cc1nc(COc2ccc3c(c2)n(C)c(=O)n3C)co1 563418857 ZMYISLTVAJMSTD-UHFFFAOYSA-N 273.292 1.752 0 50 CDAA O=C(c1ccc2ccncc2c1)N1CCC[C@@H](O)C1 651083989 UHPQAOOVGLKZSZ-CQSZACIVSA-N 256.305 1.832 0 50 CDAA C[C@@](NC(=O)Cc1cccs1)(C(N)=O)c1ccccc1 195152288 ILDUIDMKCDWMTN-HNNXBMFYSA-N 288.372 1.808 0 50 CDAA CCCCOC(=O)C(C)(C)NC(=O)Cc1c(C)n[nH]c1C 585091091 WWTGBLDWGCBCOP-UHFFFAOYSA-N 295.383 1.807 0 50 CDAA COC(=O)c1occc1NC(=O)COC[C@@H]1CCCO1 585124633 KDVYKYPTKYIFMB-VIFPVBQESA-N 283.280 1.200 0 50 CDAA CC(C)C[C@@H](C)OC(=O)N1CC(C2CS(=O)(=O)C2)C1 585114585 KINSZMDARKQFBN-SNVBAGLBSA-N 289.397 1.534 0 50 CDAA CC[C@@H]1C(=O)NCCN1Cc1ccncc1Br 585117668 QOYQSBSNHUSDNU-LLVKDONJSA-N 298.184 1.555 0 50 CDAA CN1CCCC[C@@H](C(=O)N2CC[C@@H](O)CC(C)(C)C2)C1=O 585131731 FDFPNAXTIUCVNN-CHWSQXEVSA-N 296.411 1.254 0 50 CDAA CCC(CC)(CO)CN(C)C(=O)c1cc(O)ccc1N 1506417375 QYGGTUJSAKVYCE-UHFFFAOYSA-N 280.368 1.845 0 50 CDAA CN(C)C[C@H]1COCCN(c2ncccc2F)C1 1506412178 MSYLGCVTMXLLJZ-LLVKDONJSA-N 253.321 1.235 0 50 CDAA CCN1CCC[C@]2(CCCN(CCS(C)(=O)=O)C2)C1 1506425606 DHRRMACLEYURSR-AWEZNQCLSA-N 288.457 1.229 0 50 CDAA Cc1ncsc1CCN(C)c1ncnc2n[nH]cc12 1506400444 JQAIEWHMWOIIIJ-UHFFFAOYSA-N 274.353 1.797 0 50 CDAA Cc1nc(NC[C@H]2CN(C)CCN2C)ccc1Cl 1506405626 KPHCMPLMEAXVIT-NSHDSACASA-N 268.792 1.701 0 50 CDAA COc1cncc(NC(=O)[C@H]2C[C@@H]3[C@H](N)C[C@H]3C2)c1 1615546510 LPCHUQWVFGTSEW-MNUQUWEESA-N 261.325 1.402 0 50 CDAA COC(=O)c1c(NC(=O)CN(C)C)c2ccccc2n1C 1615586243 LIYXQUKKKYBUJJ-UHFFFAOYSA-N 289.335 1.465 0 50 CDAA O=C(c1cc2c([nH]1)CCC2)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 1549424915 FVAUJJWALILOPY-XQQFMLRXSA-N 274.364 1.736 0 50 CDAA CCCC(C)(C)C(=O)N(CCO)Cc1ncc[nH]1 1704332138 PRHFNIOKXPDXBN-UHFFFAOYSA-N 253.346 1.557 0 50 CDAA CN1N=C(C(=O)Nc2cccnc2C2CC2)CCC1=O 1615617276 OPUFOGQPGZXVET-UHFFFAOYSA-N 272.308 1.506 0 50 CDAA O=S(=O)([C@@H]1C[C@@H]1c1ccccc1)N1C[C@@H](F)C[C@@H]1CO 1615207911 JCKNWFUWEZBBKK-REWJHTLYSA-N 299.367 1.277 0 50 CDAA Cn1cc2c(n1)CCC[C@H]2NC(=O)C1(CF)CCOCC1 1616043338 YNBPXRSZPWKFTK-GFCCVEGCSA-N 295.358 1.680 0 50 CDAA Cn1[nH]c(CN2CC[C@@H](C(F)(F)F)C2(C)C)nc1=O 334683992 LNJNLPSHXUKEJC-SSDOTTSWSA-N 278.278 1.271 0 50 CDAA O=C(COc1ccccc1)N[C@H]1CNCCC1(F)F 449656012 ISNCSSQHBXANPR-NSHDSACASA-N 270.279 1.179 0 50 CDAA O=C(C[C@@H]1CCCC[C@H]1O)N[C@@H]1C[C@H]2CC[C@H]1O2 343799640 ZTULPGFEVOUYGI-ZOLYEBIHSA-N 253.342 1.364 0 50 CDAA Cn1nncc1CNC1CC(C)(C)NC(C)(C)C1 135847340 GCEQHAFMVJETMJ-UHFFFAOYSA-N 251.378 1.214 0 50 CDAA COC(=O)N1CCN(C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 1775983667 QQNFGSXMYXYPKG-ZDUSSCGKSA-N 297.399 1.017 0 50 CDAA Cc1cc(C)n(CCCN(C)C[C@H]2CCC(=O)N(C)C2)n1 1772806832 GHAODQRUKGIMTH-OAHLLOKOSA-N 292.427 1.690 0 50 CDAA Cc1cccc(NC(=O)C(=O)Nc2ccn(C)n2)c1 156341316 YBROUAOOVNYBJN-UHFFFAOYSA-N 258.281 1.306 0 50 CDAA CCOC(=O)[C@H]1C(=O)CCN1C(=O)OC(C)(C)C 34607377 XSFVPTGDKAJZDH-SECBINFHSA-N 257.286 1.128 0 50 CDAA in-vitro CC(=O)N(C(C)=O)c1ccc2nc(C)[nH]c(=O)c2c1 5075103 BTZWQQLTLXGSRQ-UHFFFAOYSA-N 259.265 1.131 0 50 CDAA COC[C@@H](C)NCc1cc2cc(C)ccc2n(C)c1=O 12182247 XGNQLXVTWOKPAJ-GFCCVEGCSA-N 274.364 1.971 0 50 CDAA Cc1cc2ccccc2n1CCNC(=O)[C@H]1CNC(=O)C1 19740155 ARXPSSPWRFSBLT-CYBMUJFWSA-N 285.347 1.202 0 50 CDAA COc1cc(CCNC(=O)[C@@H]2C[C@H]3C[C@@H](N)[C@H]3C2)ccn1 1857533040 AZJPYHIJVHPYDG-RFQIPJPRSA-N 289.379 1.122 0 50 CDAA O=C(N[C@H]1C[C@@H](Cn2cccn2)C[C@@H]1O)c1ccc(F)o1 1857527241 RPNKBBPOFJMBGK-VWYCJHECSA-N 293.298 1.185 0 50 CDAA COC(=O)c1cc(=N)[nH]c(N2CCc3sccc3C2)n1 1857670250 CYWZNSUWRYTPQU-UHFFFAOYSA-N 290.348 1.300 0 50 CDAA N=c1[nH]nc(N2CC(c3nc4ccccc4[nH]3)C2)s1 1857676011 MZOYVORPVXDVSQ-UHFFFAOYSA-N 272.337 1.431 0 50 CDAA COC[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CC(C)(C)O1 330519994 HHRPVHCGHJNVHG-AWEZNQCLSA-N 292.379 1.411 0 50 CDAA CN(CCC(=O)O)C(=O)c1cccc([C@@H]2CCOC2)c1 648333309 IKNHFULLHGCWFE-CYBMUJFWSA-N 277.320 1.737 0 50 CDAA N[C@H]1CCCCCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CC(O)C2 241897195 TWLIZJQKBREGOP-JURCDPSOSA-N 280.412 1.798 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)Cc2ccc3ccccc3c2)C1 345266808 LNQTVOZISJBWMF-IRXDYDNUSA-N 299.370 1.991 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1cc(C(=O)O)cnc1C 911388014 XKWHWRILLBGMEC-CQSZACIVSA-N 280.324 1.369 0 50 CDAA CC(C)c1ccoc1-c1noc([C@H]2CN(C)C(=O)CN2)n1 904724251 JSMJHBJUEMYSPW-SNVBAGLBSA-N 290.323 1.556 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)C(=O)O 909132795 YBXNYSXSUDYGNR-LDYMZIIASA-N 263.293 1.401 0 50 CDAA O=C(NCc1ccccc1-c1ncc[nH]1)[C@H]1COCCO1 909629436 YHTNVOUJKCDLQH-CYBMUJFWSA-N 287.319 1.108 0 50 CDAA O=C(C[C@H]1CCCC1(F)F)NCCn1cnccc1=O 823634533 JOUVPTCDRUEKOA-SNVBAGLBSA-N 285.294 1.185 0 50 CDAA Cc1[nH]nc2c1CCCN2Cc1nnc2n1CCCC2 934311550 SBMMNEHYSLRJCC-UHFFFAOYSA-N 272.356 1.599 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)NCCc1ccc(C(=O)O)cc1 236862179 XDMHWQINMDEGSZ-CHWSQXEVSA-N 277.320 1.469 0 50 CDAA CC[C@H]1CN(C(=O)c2csc(CN)n2)C[C@@H](C)O1 237066905 DYUJBYJOKPYPDT-BDAKNGLRSA-N 269.370 1.241 0 50 CDAA Cc1ccc(OCC(=O)N2CCCN(C)CC2)cc1 13323128 JWQGQLXHZZWUGB-UHFFFAOYSA-N 262.353 1.538 0 50 CDAA CN[C@H](C)CNC(=O)c1cc2ccccc2c(O)n1 261736608 MBHMFHKTUTWOOB-SECBINFHSA-N 259.309 1.278 0 50 CDAA COC[C@@]1(CNc2ccccc2S(C)(=O)=O)CCCN1 261870550 YZMLJIHCCDKPGI-AWEZNQCLSA-N 298.408 1.271 0 50 CDAA CC(C)C[C@H]1CCN(c2ncnc3c2CCNC3)C1 67447353 ZCRCJMOSPSIJAQ-GFCCVEGCSA-N 260.385 1.995 0 50 CDAA COCCc1noc(CN2C[C@H]3CC=CC[C@H]3C2)n1 72173917 UTGVNFLJYGSBPE-TXEJJXNPSA-N 263.341 1.657 0 50 CDAA CCCOC[C@@H]1CCN(CC(=O)N2CCCCC2)C1 670461885 RYHICIFCQRTXCU-CQSZACIVSA-N 268.401 1.747 0 50 CDAA C[C@H]1C[C@@H](C)[C@H](CN)CN1C(=O)c1cnn2c1CCC2 333802345 HZRIOSMHLSHOPI-GRYCIOLGSA-N 276.384 1.275 0 50 CDAA Cn1cccc1C(=O)N1CCC[C@H](CCO)CC1 335031081 YFCMSIAYWCRFTN-LBPRGKRZSA-N 250.342 1.650 0 50 CDAA CC(C)N1CCC[C@@H](N2CCOCC3(CC3)C2)C1=O 335316412 OJWXAQHNEUXKJQ-CYBMUJFWSA-N 266.385 1.498 0 50 CDAA COCC[C@@H]1CCCN(C(=O)c2cncc(O)c2)C1 584891807 ZZLKXYJUJLQNAJ-NSHDSACASA-N 264.325 1.676 0 50 CDAA Cc1nnnn1[C@@H](C(=O)NOC1CCC1)c1ccccc1 2325780258 TUCZTTIDCCIBFV-CYBMUJFWSA-N 287.323 1.171 0 50 CDAA C[C@@H]1CCN2N=C(C(=O)N[C@@H]3CCc4ccccc43)NC2=N1 2325804669 DFJILORDQNSBRP-ZWNOBZJWSA-N 297.362 1.157 0 50 CDAA COc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1O 123698 JWNFSTNMEBJXKG-XCBNKYQSSA-N 255.295 1.189 0 50 CDAA biogenic NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 195323 OCBJDYDQGFRHSP-UHFFFAOYSA-N 266.728 1.678 0 50 CDAA COc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1 270261 MMTFGYCWHOGJKL-UHFFFAOYSA-N 271.338 1.025 0 50 CDAA O=C(NC1CCCCCC1)c1nc2ncccn2n1 338958 LLEAWHJMHQAQJY-UHFFFAOYSA-N 259.313 1.577 0 50 CDAA CN1C(=C(C(=O)O)C(=O)O)Sc2ccccc21 405721 COJXFVZPWDEJGP-UHFFFAOYSA-N 251.263 1.609 0 50 CDAA CC(=O)Nc1ccc(NS(=O)(=O)C(F)(F)F)cc1 1168478 XWBVFXGBSGWWOJ-UHFFFAOYSA-N 282.243 1.907 0 50 CDAA Nc1nc(NC2CC2)c2ncn([C@@H]3C=C[C@@H](CO)C3)c2n1 2015927 MCGSCOLBFJQGHM-PSASIEDQSA-N 286.339 1.092 0 50 CDAA in-man CC1(C(Cl)(Cl)Cl)[C@@H]2O[C@@H]2C(=O)[C@H]2O[C@H]21 3121813 OUEPOVKTGJITIL-KVTDHHQDSA-N 257.500 1.480 0 50 CDAA COc1ccc(COC[C@@H](O)CNC(C)C)cc1 3122986 GOAPGSMNVDOHLI-ZDUSSCGKSA-N 253.342 1.571 0 50 CDAA O=c1c2ccccc2c(=O)n2n1Cc1ccccc1C2 4727410 CBNXJVNLZZCZGU-UHFFFAOYSA-N 264.284 1.573 0 50 CDAA O=c1ccc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 6668550 WUFNZVBFHMJKBV-UHFFFAOYSA-N 293.344 1.968 0 50 CDAA biogenic,in-vitro CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1C 22250717 MMSPXAALERDPOC-UHFFFAOYSA-N 290.363 1.731 0 50 CDAA COCCN1CC[C@H](C(=O)NCc2sccc2C)C1 65503547 NGQZMEVXUNHGMK-LBPRGKRZSA-N 282.409 1.641 0 50 CDAA O=C1NCc2c(NC(=O)c3cnn4ccccc34)cccc21 345462056 PEWNDETWSSTSKC-UHFFFAOYSA-N 292.298 1.830 0 50 CDAA CC(C)(C)OC(=O)NCC12CC(C(=O)O)(C1)C(C)(C)O2 1535646176 NRDYQRGOXBYDEP-UHFFFAOYSA-N 285.340 1.924 0 50 CDAA O=C(CC1(n2cccc2)CCOCC1)N=c1cc[nH][nH]1 409414403 QBAFAGOJMKKGNP-UHFFFAOYSA-N 274.324 1.168 0 50 CDAA O=C(NCCn1c(S)nnc1C1CC1)[C@H]1C[C@H]1C1CC1 170655910 AGEAISFCIKCQLN-QWRGUYRKSA-N 292.408 1.607 0 50 CDAA Cc1ccc2c(c1)[C@H](NC(=O)N1CCNC(=O)C1)[C@@H](C)C2 170593510 IGRACLWHVWCCEO-XHDPSFHLSA-N 287.363 1.370 0 50 CDAA Cc1nc(N)ncc1C(=O)N1CC[C@@H](N2CCCCC2)C1 216186575 JVVYUWGFVDTDRE-GFCCVEGCSA-N 289.383 1.068 0 50 CDAA O=c1c2cnc3ncnn3c2ccn1-c1ccccc1O 36125536 NSUCLWLPNVUFHI-UHFFFAOYSA-N 279.259 1.134 0 50 CDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCCC[C@H]2CN)C1 252205531 XBZQNYARGDTSTM-XQQFMLRXSA-N 289.445 1.022 0 50 CDAA CO[C@H]1C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O1 71772922 BUYQUWSZUCMROP-ZBAXXZLZSA-N 260.330 1.477 0 50 CDAA Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1 32092526 BSGKGGWLXBIHQB-LBPRGKRZSA-N 299.330 1.970 0 50 CDAA CN(C)Cc1ccc(C(=O)N2CC(c3ccncc3)C2)o1 72139036 WWAJQKXKLHWVGW-UHFFFAOYSA-N 285.347 1.976 0 50 CDAA C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)C[C@H](C)N1 153776563 DEKQJCJFGBWWME-VFQZCJPISA-N 286.375 1.844 0 50 CDAA Cc1ncccc1CN[C@H]1CCCN(c2nccnc2O)C1 328628006 GTNWVMDACKHIQP-AWEZNQCLSA-N 299.378 1.644 0 50 CDAA Cc1ccnc(CNC(=O)c2ccc3nccn3c2)c1 357406177 FGTSMMYOZZIECL-UHFFFAOYSA-N 266.304 1.968 0 50 CDAA CCCNc1ccccc1NC(=O)[C@H](C)S(C)(=O)=O 170611296 GRGNTOGKSREVME-JTQLQIEISA-N 284.381 1.880 0 50 CDAA O=C(NCCOC1CCCCCC1)[C@H]1COCCO1 170631044 LKTTVRUVXBYFFF-CYBMUJFWSA-N 271.357 1.257 0 50 CDAA Cc1nnc(CNC(=O)Cc2cn(C)c3ccccc23)o1 215364273 QUFPHLXBUFJMNG-UHFFFAOYSA-N 284.319 1.729 0 50 CDAA O=C(NCCc1noc(C2CCC2)n1)c1cn[nH]c1 215206475 VLEPUVAXGXGGQN-UHFFFAOYSA-N 261.285 1.033 0 50 CDAA Cc1nc(CCC(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)n[nH]1 77342329 SLHBYGCOQWGIKD-SRVKXCTJSA-N 262.357 1.741 0 50 CDAA Cn1cnc(CCN2C(=O)NC3(CCCCCC3)C2=O)c1 333537244 NGJHMJNRSCZPHY-UHFFFAOYSA-N 290.367 1.607 0 50 CDAA Cc1ccc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)cc1C 40386497 BVRQDJHQXQBWBC-NSHDSACASA-N 299.334 1.492 0 50 CDAA CC(C)[C@H](NC(=O)Nc1ccc(C2CCC2)cn1)C(N)=O 455681311 OFLNANYIZWPLEZ-ZDUSSCGKSA-N 290.367 1.981 0 50 CDAA NC[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 131722040 ZDWPCJOAUQQVPY-SNVBAGLBSA-N 274.773 1.452 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)N1CCc2[nH]nc(C3CC3)c2C1 223836180 QMASKZXCFMOHPN-JTQLQIEISA-N 299.378 1.938 0 50 CDAA Nc1cccc(CSc2nnnn2C2CCOCC2)c1 521394500 APOCXNKZZCZIST-UHFFFAOYSA-N 291.380 1.899 0 50 CDAA COC(=O)[C@@H](Sc1nnc(CN)n1C)c1ccccc1 426477637 WFNNXARAVYWHPZ-NSHDSACASA-N 292.364 1.280 0 50 CDAA CCN(CC)S(=O)(=O)N[C@H]1CCC[C@H](N(C)C)C1 175075637 LRRASLISXXQDLR-RYUDHWBXSA-N 277.434 1.035 0 50 CDAA C[C@H]1CCC[C@@H](C)N1CC(=O)NCc1ccc(C(=O)O)o1 426477255 RMCGODZELPYNSB-PHIMTYICSA-N 294.351 1.857 0 50 CDAA Cc1ncnc(N2CCN(C[C@@H]3CCOC3)CC2)c1C 97642283 PKBCVJNFRQQRLD-AWEZNQCLSA-N 276.384 1.252 0 50 CDAA CCOc1ncccc1-c1cccc(C(=O)NC)n1 426379721 MBDDBMYSVWVDDW-UHFFFAOYSA-N 257.293 1.902 0 50 CDAA Cc1cc2cc(C(=O)N3CCOC[C@@H](O)C3)ccc2o1 97243769 AZMRDWFPDXKOEH-ZDUSSCGKSA-N 275.304 1.575 0 50 CDAA CCc1cnc(N(C)C[C@@H]2CC(=O)N(CC)C2)nc1 95386369 LNPCTVCVUHQCKZ-LBPRGKRZSA-N 262.357 1.344 0 50 CDAA OCC1(CN2CCCC2)CCN(Cc2ccncc2)CC1 244787527 PYPGEKXAQPARNW-UHFFFAOYSA-N 289.423 1.752 0 50 CDAA CN(CC(=O)Nc1ccn(C)n1)C1Cc2ccccc2C1 244678935 IMRXEBLTLPTYPT-UHFFFAOYSA-N 284.363 1.458 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)CN(C)C1CCCC1 244594106 DGLBRKZNLGWROE-LBPRGKRZSA-N 293.415 1.740 0 50 CDAA Cc1c(C(=O)N2CC[C@H](CN)C2)cnn1C(C)(C)C 178516987 DCQUXJPWHDUDMD-LLVKDONJSA-N 264.373 1.367 0 50 CDAA Cc1cc(N2CCN(CCn3ccc(C)n3)CC2)ccn1 243902131 BGLIWQJISPKUNE-UHFFFAOYSA-N 285.395 1.717 0 50 CDAA Cc1cnccc1CN(C)C(=O)CCCN1CCCC1=O 252499421 SAJIVZSOXNYYLX-UHFFFAOYSA-N 289.379 1.751 0 50 CDAA NS(=O)(=O)c1sccc1-c1cnn(C(F)F)c1 2325854212 SCDKMZWWCDAQGB-UHFFFAOYSA-N 279.293 1.654 0 50 CDAA C[C@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H](C)O1 180294116 HWNFLJSFEVYQEK-AEJSXWLSSA-N 280.290 1.259 0 50 CDAA COCC(C)(C)NC(=O)N1CCC[C@@H](Cn2ccnc2)C1 534590047 PGXRRBKOAXUTSS-ZDUSSCGKSA-N 294.399 1.730 0 50 CDAA O=C(O)C[C@H](NC(=O)C[C@H]1CCOC1)c1cccs1 299752092 SSDAOAZDNDZERS-ZJUUUORDSA-N 283.349 1.807 0 50 CDAA Nc1nc(NCC(F)(F)F)cc([C@H]2CCOC2)n1 299773304 DJHXGWDJHXTIMJ-LURJTMIESA-N 262.235 1.537 0 50 CDAA Cc1nccn1CC(=O)NCCCOC1CCCC1 297908684 SSVFLHDYYIRGDL-UHFFFAOYSA-N 265.357 1.657 0 50 CDAA CCCc1cc(C(=O)N2CC[C@H](O)CC(C)(C)C2)n[nH]1 654119905 ILIRCWOUSHWMQG-LBPRGKRZSA-N 279.384 1.985 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)C(=O)c2cccn2C)C1 584884051 ITEHJDYSRKJHDU-GFCCVEGCSA-N 278.352 1.483 0 50 CDAA COCC(=O)Nc1cccc(C(=O)NCC(C)C)c1 586574874 WHXLOMOZLBFKJY-UHFFFAOYSA-N 264.325 1.657 0 50 CDAA CCOCCC(=O)NCC1(N2CCCC2)CCCC1 584891732 LAPYZHPCEUWEHI-UHFFFAOYSA-N 268.401 1.938 0 50 CDAA O=C(c1c[nH]c(=O)cn1)N1CCC(Cc2cccnc2)CC1 584899547 FGDDILZSJDZPAS-UHFFFAOYSA-N 298.346 1.260 0 50 CDAA N[C@H]1CCC[C@@H](C(=O)N2CCC3(CC2)COC(=O)O3)C1 584897346 HMXXNTDIDZAHEV-MNOVXSKESA-N 282.340 1.032 0 50 CDAA Cc1nccn1CCN[C@@H]1CCC(=O)N(CC2CC2)CC1 584903726 SUVSDVHAMXVRMQ-OAHLLOKOSA-N 290.411 1.572 0 50 CDAA CC(=O)N[C@@H](CC(C)C)C(=O)N1[C@@H](C)CC[C@H]1C(=O)O 1875292250 BBUADDOMDSCQAG-DLOVCJGASA-N 284.356 1.001 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@@H](C)Cc3cnn(C)c3)c2n1 1337303424 KWNZMQBKLAKDPM-NSHDSACASA-N 298.350 1.132 0 50 CDAA CCN1CCCC[C@@H]1CNc1nccnc1OC 952963663 HWOJSEHTCDLROF-LLVKDONJSA-N 250.346 1.772 0 50 CDAA CC(C)c1cc(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)nc(N)n1 1565508288 XZLOIQJTZYTQOX-PTOFAABTSA-N 276.340 1.089 0 50 CDAA COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 97463413 VOUBMNNPPWLOHA-LBPRGKRZSA-N 259.302 1.185 0 50 CDAA in-vitro COc1cccc2c1CN(C(=O)[C@H]1CCC(=O)NC1)C2 629115818 HJYFNEJGBJGGMR-JTQLQIEISA-N 274.320 1.064 0 50 CDAA Cc1cnccc1CCNC(=O)N[C@H]1CC[C@H](O)CC1 270206451 XUENJYDANSIDQX-HDJSIYSDSA-N 277.368 1.535 0 50 CDAA CCc1ncnc(N[C@@H](C)CO[C@H]2CCOC2)c1F 271029000 GVDUEVDUIFBXTE-UWVGGRQHSA-N 269.320 1.784 0 50 CDAA Cc1nc([C@H]2CCOC2)sc1C(=O)NC[C@H](C)C(=O)O 630136738 HSUKWHSRKNQZSG-CBAPKCEASA-N 298.364 1.406 0 50 CDAA CC(C)S(=O)(=O)NC(=O)c1ccc2c(c1)C(C)(C)CO2 408474358 SANVGRQXLMZERW-UHFFFAOYSA-N 297.376 1.825 0 50 CDAA CC(=O)N(C[C@@H]1CCCN1C(=O)Nc1ccon1)C1CC1 275492406 ABXGARQSRZCMRG-LBPRGKRZSA-N 292.339 1.682 0 50 CDAA NC(=O)c1ccc(=O)n(Cc2cc(Cl)ccc2F)n1 188999957 AOMWXQLPATXJJM-UHFFFAOYSA-N 281.674 1.183 0 50 CDAA c1cn(Cc2noc(C3CC3)n2)c(CN2CCOCC2)n1 641721935 HAMOLLGSVORJPV-UHFFFAOYSA-N 289.339 1.024 0 50 CDAA COC(=O)/C=C/c1ccc(OCCN(C)CCCO)cc1 585079845 PKZWRYFYEVVRQF-RMKNXTFCSA-N 293.363 1.566 0 50 CDAA CC(C)C[C@@H]1COCCN1C(=O)Nc1cnns1 190796357 GKXCBIURPHSSLF-SECBINFHSA-N 270.358 1.817 0 50 CDAA CC(=O)NC[C@@H]1CN(C[C@H]2C(C)=CCC[C@H]2C)CCO1 191073417 NECLUUSXMKWBHS-BMFZPTHFSA-N 280.412 1.816 0 50 CDAA COc1cc(CNC2(C(N)=O)CC2)c2c(c1)C[C@H](C)O2 191484705 ZQMIUJVEJXPPQV-VIFPVBQESA-N 276.336 1.126 0 50 CDAA Cc1cncnc1-c1noc([C@@H]2CCCc3nn[nH]c32)n1 663157062 IMGMOWYCICJYNW-MRVPVSSYSA-N 283.295 1.421 0 50 CDAA N[C@H]1CCCN(C(=O)COc2cccc(F)c2)C1 195107573 KAPSEGSMYGXLGN-NSHDSACASA-N 252.289 1.154 0 50 CDAA Cc1nccc(C(=O)N[C@H](C(=O)O)c2cccc(C)c2C)n1 653667387 QSVKMXHGTDPHCL-AWEZNQCLSA-N 299.330 1.958 0 50 CDAA O=C1CCC2(CCN(Cc3ccn4nccc4c3)CC2)N1 1237543885 BIWSRIWIIOEIDV-UHFFFAOYSA-N 284.363 1.579 0 50 CDAA COc1cccc2c1OC[C@@]1(C(=O)O)CN(C(C)=O)C[C@@H]21 1614987058 WAOCQDMNBVEVPP-NHYWBVRUSA-N 291.303 1.104 0 50 CDAA CCN1CCN(C(=O)c2cc(C)oc2C)C[C@]12CCOC2 1615589191 MIEXCEVQXBPNQI-INIZCTEOSA-N 292.379 1.833 0 50 CDAA O[C@H]1CN(Cc2noc(-c3ccccc3)n2)C[C@@H]1F 1616094751 AMYLBDIKKBHYNT-QWRGUYRKSA-N 263.272 1.251 0 50 CDAA C[C@H](CN(C)CCO)NCCn1ccc2ccccc21 1506412296 BACUWQAYXAUVOD-CQSZACIVSA-N 275.396 1.544 0 50 CDAA C[C@@]1(Cc2noc(C(N)=O)n2)CC1(Cl)Cl 904086475 RERUTYBQEPHLKO-SSDOTTSWSA-N 250.085 1.295 0 50 CDAA COc1ccc(CN[C@@H](C)c2nncn2C)cc1C(=O)O 1506410046 RNGACZIHLGLNLB-VIFPVBQESA-N 290.323 1.373 0 50 CDAA Cc1cc(C)n([C@H]2CCN(c3cncc(N)n3)C2)n1 1857680052 FXMJABCZCZLUDN-NSHDSACASA-N 258.329 1.324 0 50 CDAA O=C(O)c1cnc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)c(Cl)c1 1857683665 LPAVBNUMOTYAQB-ILWJIGKKSA-N 282.727 1.640 0 50 CDAA CN1CCc2cc(-c3cnn(CC(=O)O)c3)cnc21 1875249597 IATLYGOZWATZJI-UHFFFAOYSA-N 258.281 1.022 0 50 CDAA c1cc(OC2CCN(CC[C@@H]3COCCO3)CC2)ccn1 1800413253 DSOQFZGQTOCOEO-MRXNPFEDSA-N 292.379 1.730 0 50 CDAA C[C@@](O)(CNC(=O)c1ccc(F)c(Cl)c1)C(=O)O 212379950 AXZLPHNRVSTIPM-LLVKDONJSA-N 275.663 1.045 0 50 CDAA COc1cc(NC2CCN(C(C)C)CC2)ncn1 120746158 XQQNFQZLSXDVFD-UHFFFAOYSA-N 250.346 1.770 0 50 CDAA O=S(=O)(CC1CC1)N[C@H]1CCOC2(CCCC2)C1 336303882 PXWTVIYURMXJKF-LBPRGKRZSA-N 273.398 1.808 0 50 CDAA O=C(CO)N1CCC[C@H](OCc2ccccc2F)C1 366221104 DUXXHVUAKBDTGH-LBPRGKRZSA-N 267.300 1.326 0 50 CDAA OC[C@@]12CNC[C@@H]1CN(C1CC3(CCCCC3)C1)C2 1772711464 YZVUTMBLYXAVPR-CJNGLKHVSA-N 264.413 1.613 0 50 CDAA Cc1cccc(CN2CCC[C@](O)(CNC(C)C)C2=O)c1 12572226 QKKHKKSMUSJUIP-KRWDZBQOSA-N 290.407 1.847 0 50 CDAA O=C(CSc1ncn[nH]1)NCCc1ccccc1 18117143 LPWMPADBVHXNTF-UHFFFAOYSA-N 262.338 1.256 0 50 CDAA COc1ccccc1OCCOCCN1CCN(C)CC1 19792478 OVOACCJOLDIALI-UHFFFAOYSA-N 294.395 1.338 0 50 CDAA Cc1cc([C@@H]2NC(=O)[C@H](CCF)NC2=O)ccc1F 1857529197 DPAMBDCTPARTQO-QWRGUYRKSA-N 268.263 1.149 0 50 CDAA O=C1C[C@H](c2ccc(-c3cnc4c(c3)CNCC4)cc2)CN1 1875244772 UGEREGPGFSOHNV-HNNXBMFYSA-N 293.370 1.998 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1 408519107 LJWJSOSXNMJTPQ-ZWNOBZJWSA-N 274.368 1.696 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NC1(c2ccccc2)CCC1 225457613 CLDCQOAJGWQHCB-VXGBXAGGSA-N 259.305 1.903 0 50 CDAA COCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 114817926 SFFAVVDJBWIWTG-HNNXBMFYSA-N 291.395 1.597 0 50 CDAA C[C@@H](Cc1ccccc1F)C(=O)NCc1nccc(N)n1 120477916 FPSZKMKTYRWFJU-JTQLQIEISA-N 288.326 1.693 0 50 CDAA Cc1ccccc1C1(C(=O)Nc2ccn(CC(=O)O)n2)CC1 123034308 XCEIDHWEBHZWTB-UHFFFAOYSA-N 299.330 1.946 0 50 CDAA Cc1ccc(CNC(=O)N2CC(F)(F)C[C@H]2CO)nc1C 656367700 AUDFRQKIXSLLOR-LBPRGKRZSA-N 299.321 1.610 0 50 CDAA CCCn1nccc1C1CCN(S(=O)(=O)C2CC2)CC1 252487715 IAJOTZAHXSSILL-UHFFFAOYSA-N 297.424 1.965 0 50 CDAA CC(=O)NCCN(Cc1ccc(C)s1)C(=O)C1CC1 252502236 UNYWVNHPDVGQCP-UHFFFAOYSA-N 280.393 1.931 0 50 CDAA O=C(NC[C@]1(CCO)CCOC1)c1occ2c1CCC2 585081846 LBFSGTAWSKPLBQ-HNNXBMFYSA-N 279.336 1.287 0 50 CDAA COCc1ccc(C(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)o1 262803434 OKRAEGVJPXAGIX-SKDRFNHKSA-N 297.307 1.036 0 50 CDAA COCC1(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)CCC1 263556612 ZEGUXXXNWFVVHN-NEPJUHHUSA-N 281.352 1.372 0 50 CDAA O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H]1CCCS1 266490019 WYVSWYMHLZRDAJ-SNVBAGLBSA-N 291.332 1.864 0 50 CDAA CNc1ccccc1CN[C@@H]1CCc2nnnn2CC1 902600934 IHZAJJRMUALAQZ-GFCCVEGCSA-N 272.356 1.210 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1ccc2c[nH]nc2c1 818629524 GTLIGSWRCGXDRG-OAHLLOKOSA-N 289.335 1.629 0 50 CDAA CC(=O)Nc1nc(CN2CCC[C@H]2c2nc[nH]n2)cs1 820597956 VULOMWYZFRDIEW-JTQLQIEISA-N 292.368 1.557 0 50 CDAA CCC(CC)NC(=N)NCCNC(=O)c1ccc(O)cc1 864452040 LAQUCPSLMKHJLL-UHFFFAOYSA-N 292.383 1.425 0 50 CDAA O=C([C@H](O)c1cnc[nH]1)N1CCO[C@@H](c2ccccc2)C1 864698722 XRNRBTXDKRMOHS-ZIAGYGMSSA-N 287.319 1.043 0 50 CDAA Cc1cnc(S(=O)(=O)Cc2ncc(C3CC3)o2)[nH]1 1875280284 NZAWYRJDOPOMIU-UHFFFAOYSA-N 267.310 1.557 0 50 CDAA Cc1[nH]cc(C(=O)N2CCC[C@@H]2C)c(=O)c1Cl 1875299542 OGKBXLZAGUNXKP-ZETCQYMHSA-N 254.717 1.961 0 50 CDAA Cn1nccc1[C@@H]1CC[C@@](C(=O)O)(n2ccnc2)C1 1875280770 QDBQESXIRXASNO-ZWNOBZJWSA-N 260.297 1.364 0 50 CDAA O=C(CN1CCCCCCC1=O)OCCc1cnoc1 888099531 OYQPKVIMJJEIPZ-UHFFFAOYSA-N 280.324 1.553 0 50 CDAA Cn1nc(NC(=O)C2CCOCC2)cc1C(F)(F)F 1773724952 BPLJMXSZPULCIC-UHFFFAOYSA-N 277.246 1.804 0 50 CDAA Cn1ccc(-c2noc([C@H]3C[C@@H]4CCCCN4C3)n2)n1 1775998212 BKXJBYAVZUFOSD-QWRGUYRKSA-N 273.340 1.812 0 50 CDAA OCc1cc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)ncc1F 1775960444 MEASPSLKWBRFKG-UFBFGSQYSA-N 293.302 1.021 0 50 CDAA CCN1CCN(C(=O)Cc2ccc(C(=O)O)cc2)CC1 167362484 KWLJXQKFACLSNY-UHFFFAOYSA-N 276.336 1.091 0 50 CDAA C[C@H](CO)N1CCN(c2cccc(C(F)(F)F)n2)CC1 301815689 GTNQNWXIMYGJKG-SNVBAGLBSA-N 289.301 1.603 0 50 CDAA O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc2nccn2c1 189196881 KYTRKZDHWIWYTP-YPMHNXCESA-N 273.336 1.615 0 50 CDAA Cc1cc(C(=O)Nc2cnn(CC(=O)O)c2)oc1C 647745038 PTAWJNUTXZOGFU-UHFFFAOYSA-N 263.253 1.430 0 50 CDAA C[C@@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CCO1 685939895 VQMMOYPUWJOVCN-YYVONYOCSA-N 279.380 1.565 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c(=N)s1 584893003 SCLACRLHDPAMCU-MYJAWHEDSA-N 253.371 1.697 0 50 CDAA O=C(NCCc1cnn[nH]1)c1ccc(F)cc1F 735213710 WHXDOMODJHVXQW-UHFFFAOYSA-N 252.224 1.055 0 50 CDAA CCc1ncc(C(=O)NC23CC(CO)(C2)C3)s1 2325790133 PTJJRGKZBNTABP-UHFFFAOYSA-N 252.339 1.350 0 50 CDAA CC[C@H]1CCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)s1 2325821790 ALJBLAABVOXRHC-ZETCQYMHSA-N 279.321 1.716 0 50 CDAA O=C(c1ccc(Br)o1)N1CCOCC1 142127 NQZPCIJOKKPJBZ-UHFFFAOYSA-N 260.087 1.515 0 50 CDAA O=C(O)c1nn(-c2cccc(Cl)c2)c(=O)cc1O 170183 NBKODCRTQQFYJJ-UHFFFAOYSA-N 266.640 1.290 0 50 CDAA Cn1c(NN)nc2sc3c(c2c1=O)CC(C)(C)OC3 190097 JBMZPUGNAVIDRH-UHFFFAOYSA-N 280.353 1.132 0 50 CDAA CCOC(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 198169 RGRGZCJAQQQFQX-NOZJJQNGSA-N 256.298 1.440 0 50 CDAA biogenic Cc1cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)no1 280649 SWQOBFVJSZGOHL-UHFFFAOYSA-N 272.216 1.482 0 50 CDAA Cc1nnc(NS(=O)(=O)Cc2ccccc2)s1 380461 LGCLMDGUNXAYFG-UHFFFAOYSA-N 269.351 1.788 0 50 CDAA COC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 456174 YHYOEJZBONKOTH-QMMMGPOBSA-N 263.746 1.653 0 50 CDAA CCOc1ccc(C2=CN3C(=O)CSC3=NN2)cc1 1050597 GMDYCRPYKLNEFR-UHFFFAOYSA-N 275.333 1.833 0 50 CDAA COC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 1452402 QVPGJZSAXQQSQB-NSHDSACASA-N 251.257 1.603 0 50 CDAA Cc1nc(=N[C@@H]2COC[C@H]2Cc2ccncc2)s[nH]1 2356136690 FKLXIYBZXQAXGP-VXGBXAGGSA-N 276.365 1.333 0 50 CDAA O=C(Cc1cccc(O)c1)N1CCC[C@@]12CCCNC2=O 2356144316 RHDRAOORJLYELG-MRXNPFEDSA-N 288.347 1.206 0 50 CDAA Cc1nc(=NCc2nc(-c3cnccn3)n[nH]2)[nH]c(C)c1C 2356158240 ZUEQGEXPMGUXOR-UHFFFAOYSA-N 296.338 1.011 0 50 CDAA Cc1cc(N2C[C@@H]3CNC(=O)[C@@H]3C2)nc(-c2cccnc2)n1 2356167418 OOKAITXRVLAYGQ-QWHCGFSZSA-N 295.346 1.029 0 50 CDAA CN(C)CC(=O)Nc1ccccc1Br 2861174 HRPBOJWDVDHWEP-UHFFFAOYSA-N 257.131 1.949 0 50 CDAA O=C1NC(=O)[C@@H](Nc2ccccc2C(=O)O)S1 3866485 VQTCTUOHTJTVCO-QMMMGPOBSA-N 252.251 1.106 0 50 CDAA CC(C)C(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 4858428 PRXBYWPWDXXOEW-LLVKDONJSA-N 285.365 1.451 0 50 CDAA CS(=O)(=O)NCc1cccc(Br)c1 6698361 WWJKDFBCAXJDCX-UHFFFAOYSA-N 264.144 1.498 0 50 CDAA COC[C@H](C)N(C)C(=O)[C@H]1CCC[C@@H](C(=O)O)C1 224567142 WPDXRPYSEXVGRU-GARJFASQSA-N 257.330 1.371 0 50 CDAA CCn1nc(C(=O)N2CC(C)(C)C2(C)C)ccc1=O 225441105 XRAPPOKBDPHUKG-UHFFFAOYSA-N 263.341 1.524 0 50 CDAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1cncc(O)c1 111776586 PHWYIBLKCOEOFG-ZDUSSCGKSA-N 288.351 1.828 0 50 CDAA FC(F)(F)c1ccnc(NCc2nnc3n2CCC3)n1 24055818 JSEVIHNYJLLLIL-UHFFFAOYSA-N 284.245 1.645 0 50 CDAA Cn1ccnc1S(=O)(=O)C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C 101093084 RNDBUSBUKICLBV-MJVIPROJSA-N 298.408 1.381 0 50 CDAA CN1CCC[C@@H]1Cc1nc2c([nH]1)CC(C)(C)CNC2=O 65408929 BGFPYGABZHEARM-SNVBAGLBSA-N 276.384 1.359 0 50 CDAA O=C(CSc1nnc[nH]1)N[C@H]1C[C@H]2CC[C@H]1C2 101480565 YGXUPRGOZCRIBN-CIUDSAMLSA-N 252.343 1.202 0 50 CDAA Cc1cccc(N(CCCC(=O)O)S(C)(=O)=O)c1 113873730 IOVKTZNKEJUVDI-UHFFFAOYSA-N 271.338 1.626 0 50 CDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)c1ccccc1F 247728044 DUTBKKMRHTYOJL-GYSYKLTISA-N 289.306 1.810 0 50 CDAA Cc1ccc(N2CCN(C(=O)c3ccccc3)CC2)nn1 67603919 OVMKSRDKJRAPQI-UHFFFAOYSA-N 282.347 1.747 0 50 CDAA O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1CCn1ccnc1 170592415 VYCADIYRBPYHQB-AGIUHOORSA-N 288.351 1.478 0 50 CDAA O=C(CN1CCCCCC1)NCC1(Cn2ccnc2)CC1 65409858 NBIQEJQDCKMWBU-UHFFFAOYSA-N 290.411 1.656 0 50 CDAA COC[C@H](NC(=O)Nc1cccc2ccccc12)C(N)=O 170613444 BWWLAAAQTSCRME-ZDUSSCGKSA-N 287.319 1.462 0 50 CDAA C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NC[C@@H](O)c1ccncc1 230183597 LVSAXZWTPIXJDJ-QVHKTLOISA-N 291.395 1.493 0 50 CDAA Cn1ccnc1CN(C(=O)c1cccc2ccnn12)C1CC1 72148448 RLDPXCQWSFLDGF-UHFFFAOYSA-N 295.346 1.873 0 50 CDAA COC(=O)c1ccc(I)nc1 34364332 CGFVEUUNDFAFHE-UHFFFAOYSA-N 263.034 1.473 0 50 CDAA CCCNS(=O)(=O)c1ccc(Cl)c(C(N)=O)c1 33359685 WXIFNHQEUHSNMD-UHFFFAOYSA-N 276.745 1.127 0 50 CDAA C=CC(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 328599198 QMPIRUYSYHLMAK-SECBINFHSA-N 251.286 1.279 0 50 CDAA O=C(c1cnoc1-c1ccccc1)N1CCOC[C@H](O)C1 77387251 JRQCDJYQDUTFMF-GFCCVEGCSA-N 288.303 1.175 0 50 CDAA C[C@H]1C(=O)N(C)S(=O)(=O)N1Cc1ccccc1Cl 253400421 GWCZCFGXTMQIIY-QMMMGPOBSA-N 288.756 1.247 0 50 CDAA C[C@H]1CCN(C(=O)C2(O)CCCCC2)C[C@H]1n1ccnc1 124546631 LSQOGGIVFVDHKX-UONOGXRCSA-N 291.395 1.988 0 50 CDAA Ic1cnn(C2CCOCC2)c1 70679751 XHQATWGZZKUHMQ-UHFFFAOYSA-N 278.093 1.839 0 50 CDAA CCCNC(=O)Cn1c(CNC(C)=O)nc2ccccc21 32497925 LSYLWBHMNKANFX-UHFFFAOYSA-N 288.351 1.199 0 50 CDAA NC[C@@H]1CN(C(=O)c2cc3ccccc3cc2N)CCO1 364166025 DKXCMVBRVPBQPV-CYBMUJFWSA-N 285.347 1.222 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CCC(F)(F)F)n[nH]1 216492969 YKRBZASUIOEZKR-RXMQYKEDSA-N 250.224 1.633 0 50 CDAA Cc1ccncc1CN[C@H]1CCN(C2CCOCC2)C1=O 366871792 QSDUNNPDWDXZDT-HNNXBMFYSA-N 289.379 1.260 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)c2cc(CO)ccn2)n1 219322040 FDUMYARJEAWYSA-GFCCVEGCSA-N 285.347 1.638 0 50 CDAA Cn1cnc2cc(NC(=O)CN3CCCCC3=O)ccc21 335727760 ODFWBIFFXXWRNO-UHFFFAOYSA-N 286.335 1.524 0 50 CDAA CCCOCCN1CCn2nc([C@@H](O)C3CC3)cc2C1 219925441 KPOYCOGSKKDRHG-HNNXBMFYSA-N 279.384 1.569 0 50 CDAA COCCOC1CN(C(=O)Nc2ccc(C)nc2C)C1 332482464 VRKNTXHRHURQAQ-UHFFFAOYSA-N 279.340 1.578 0 50 CDAA Cc1nc(CNC(=O)Cc2ccc(N(C)C)cc2)n[nH]1 216011305 WJYZNTUWOGQVJS-UHFFFAOYSA-N 273.340 1.038 0 50 CDAA O[C@@H]1CCN(c2ncnc3[nH]cnc23)Cc2ccccc21 374934063 YUZLWQLHFIHLSG-GFCCVEGCSA-N 281.319 1.797 0 50 CDAA CCc1oc(C(=O)N2CC[C@](O)(C(=N)O)C2)cc1C 336225737 IOHIRYBITSUCLL-CYBMUJFWSA-N 266.297 1.263 0 50 CDAA C[C@H](CN(C)C(=O)[C@]1(C)CC=CCC1)c1nn[nH]n1 333649851 DWXQPQOBBHDUSA-ZWNOBZJWSA-N 263.345 1.508 0 50 CDAA CCN(Cc1cccc(OC)c1)C(=O)c1n[nH]c(N)n1 71738548 RDMKKICYRSRJQA-UHFFFAOYSA-N 275.312 1.058 0 50 CDAA C[C@@H](CN)N(C)C(=O)c1ccc(N2CCCC2)c(F)c1 237467993 IHJPDURSCJKONM-NSHDSACASA-N 279.359 1.845 0 50 CDAA O=c1c2cc(F)c(F)cc2ncn1CC1(O)CCCC1 334351392 WCTOCHMQEXSMHW-UHFFFAOYSA-N 280.274 1.980 0 50 CDAA NC1(C(=O)N2CCN(c3cc(F)ccc3F)CC2)CC1 237898677 HLDPRDAALJXWQI-UHFFFAOYSA-N 281.306 1.105 0 50 CDAA C[C@@]1(C(=O)N2CCN3CCCC[C@H]3C2)CCCCO1 334558674 RAGOVWLAUIPKRQ-ZFWWWQNUSA-N 266.385 1.642 0 50 CDAA CSCC[C@@H](N)C(=O)N1C[C@H](C)OC(C)(C)C1 131163739 ZIPHYQYSDBYLOM-VHSXEESVSA-N 260.403 1.093 0 50 CDAA C[C@@H]1CCN(CC2CCSCC2)CC[S@@]1=O 602637831 ODMHPKDLGUOQKD-BZNIZROVSA-N 261.456 1.973 0 50 CDAA CCOc1ncccc1-c1cnc2nc(C)nn2c1 426690317 PFFYBJVEUKKNEG-UHFFFAOYSA-N 255.281 1.893 0 50 CDAA CCNC(=O)[C@@H]1CCN(C(=O)c2ccc(CC)[nH]2)C1 220277724 GFOKLMLJQJHHTQ-SNVBAGLBSA-N 263.341 1.175 0 50 CDAA CCO[C@H](C)C(=O)NCCc1nc2ccccc2o1 426372098 ODJGRSUQRZELOO-SNVBAGLBSA-N 262.309 1.912 0 50 CDAA CN(Cc1nccs1)C(=O)NCCSc1cnn[nH]1 426555694 VQQYKYIXIOLEOE-UHFFFAOYSA-N 298.397 1.195 0 50 CDAA C[C@](O)(CCc1ccccc1)C(=O)N1CCc2[nH]ncc2C1 282947338 TXKQVYASJBLRFD-KRWDZBQOSA-N 299.374 1.678 0 50 CDAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc2nc(C)cn2c1 82127202 GPZJVPOMONRNFJ-LLVKDONJSA-N 288.351 1.239 0 50 CDAA CN1CCC(C)(C(=O)NCCc2cccn2C)CC1 426582861 RBKLZHSZADGNBY-UHFFFAOYSA-N 263.385 1.416 0 50 CDAA Cc1cc([C@H]2CCCCN2C(=O)CN2CCOC2=O)no1 220201478 HAPKQIYOARDGMX-GFCCVEGCSA-N 293.323 1.489 0 50 CDAA O=C1OCC[C@H]1n1cnc2sc3c(c2c1=O)CCCC3 43125020 HCOCIDAFJGCWMT-SECBINFHSA-N 290.344 1.825 0 50 CDAA C[C@H]1Cc2cc(C(=O)NCCc3nccn3C)ccc2O1 426511574 FHJULWNSEGAZAL-NSHDSACASA-N 285.347 1.716 0 50 CDAA Cc1cccnc1CCNC(=O)CCN1C[C@@H]2CC[C@H]1C2 221180615 QQZHNBMGKRFXNB-CABCVRRESA-N 287.407 1.923 0 50 CDAA CS(=O)(=O)c1ccc(-c2ncnc3[nH]ncc23)cc1 426360050 DDFFOFPCUZTELL-UHFFFAOYSA-N 274.305 1.423 0 50 CDAA Cc1c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cnn1C 220650171 CARQQFSRLNXLEV-KGLIPLIRSA-N 293.367 1.042 0 50 CDAA Cc1cc(C)n(CCCC(=O)N2CC[C@](C)(O)[C@H](C)C2)n1 91505187 UPIHRDFYWFIYSE-WBMJQRKESA-N 293.411 1.900 0 50 CDAA CCCO[C@H](C)CNC(=O)c1ccc(C(=O)O)cc1 97797232 KQOYSZVRGDPWDN-SNVBAGLBSA-N 265.309 1.930 0 50 CDAA CCc1cnc(NCC2CCN(CCO)CC2)nc1 95360483 FDFBXBMHOVXBMC-UHFFFAOYSA-N 264.373 1.155 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CC[C@H](CN)C2)s1 178531777 CMPFILFBWDFXPD-VMZHVLLKSA-N 251.355 1.272 0 50 CDAA CC(C)Cc1cc(C(=O)NCCN2CCOC2=O)on1 91547750 RNXLTRQMTSKBPH-UHFFFAOYSA-N 281.312 1.055 0 50 CDAA COCCn1ccnc1[C@@H]1CCCN(c2cccnn2)C1 91915434 YMBBWAZUYUTZNN-CYBMUJFWSA-N 287.367 1.704 0 50 CDAA COc1ccc2c(c1)OC[C@@H](Cc1cc(C(N)=O)ccn1)C2 95500657 MGZUYASTUXXZOD-LLVKDONJSA-N 298.342 1.983 0 50 CDAA O=C(NCCc1ccc(F)cc1)N[C@@H]1CC12CCNCC2 612957904 DNLQTTHHWVVPDB-CQSZACIVSA-N 291.370 1.810 0 50 CDAA Cc1ccn(CCc2nc(-c3ccncc3)nn2CCO)n1 91452456 UJPZFURJTALFFQ-UHFFFAOYSA-N 298.350 1.080 0 50 CDAA O=C([C@@H]1CCOc2ccccc2C1)N1CCC(O)CC1 96140679 KYNLCFNZKZFSDQ-CYBMUJFWSA-N 275.348 1.611 0 50 CDAA O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 242614956 PMVSUYJXXTXMHW-NAUHBQLRSA-N 275.348 1.814 0 50 CDAA Cc1cccnc1CN(CCO)Cc1nccs1 244787915 QGDNWPXGDAUTEP-UHFFFAOYSA-N 263.366 1.841 0 50 CDAA COc1ccc2cccc(CC(=O)NCCC(N)=O)c2c1 179289002 FGZNWUKMCHSZRX-UHFFFAOYSA-N 286.331 1.383 0 50 CDAA CCS(=O)(=O)N[C@H]1C[C@H](c2cc(O)nc(C3CC3)n2)C1 253535521 ZCKAIRPRRSMIKL-MGCOHNPYSA-N 297.380 1.245 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 294187688 FTUNTOJBCCBQIP-JSGCOSHPSA-N 290.363 1.583 0 50 CDAA Cc1nnc(CN(C)CCN2C[C@H]3CC[C@@H]2C3)o1 252486655 HNZSHBLWKCLKJZ-NWDGAFQWSA-N 250.346 1.294 0 50 CDAA CN1CCN(C(=O)CCCCCn2cccc2)CC1 604419585 HSSWNSMLDUFPAJ-UHFFFAOYSA-N 263.385 1.823 0 50 CDAA c1ccc(CN(CCn2cncn2)C[C@H]2CCCO2)nc1 252481556 COABVBZHUNQYIH-OAHLLOKOSA-N 287.367 1.354 0 50 CDAA Cc1cccn2c(CNC(=O)CCc3nncn3C)cnc12 534648497 RXOYXOUUPPJDFM-UHFFFAOYSA-N 298.350 1.020 0 50 CDAA COC[C@@H](NC(=O)COC(C)C)c1ccccn1 534590736 ITSBSGXVNHUQSB-GFCCVEGCSA-N 252.314 1.310 0 50 CDAA C[C@@](NC(=O)Cc1ccoc1)(C(N)=O)c1ccccc1 184490988 IJLXIYHSWNNFCF-HNNXBMFYSA-N 272.304 1.339 0 50 CDAA COCCN1CCC[C@@H](CNC(=O)c2ccncc2C)C1 299756219 DVCBKEFSZYBOBB-AWEZNQCLSA-N 291.395 1.478 0 50 CDAA CCc1ocnc1C(=O)NCc1noc([C@@H]2CCCO2)n1 299787724 XEONQQUIHHRDBS-VIFPVBQESA-N 292.295 1.402 0 50 CDAA Cc1cc(C)nc(N2CCOC3(CCN(C)CC3)C2)n1 645385502 XFNIHUMRZOYHIC-UHFFFAOYSA-N 276.384 1.394 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cncn2C)c(C)s1 299788017 ZUZJTEYRKPVXOP-SSDOTTSWSA-N 264.354 1.984 0 50 CDAA CN1CC[C@@](C)(Cn2cnc3ccc(F)cc3c2=O)C1 584902262 HNGRHIPAPUTGJR-OAHLLOKOSA-N 275.327 1.877 0 50 CDAA CN(Cc1ncon1)Cc1cc(C(N)=O)oc1C(C)(C)C 670450439 JMYFQCNAZXNQKA-UHFFFAOYSA-N 292.339 1.691 0 50 CDAA CCn1ccc(C(=O)Nc2ccc(-n3cncn3)cc2)n1 1525855349 LBGVGDHJOAMOQJ-UHFFFAOYSA-N 282.307 1.736 0 50 CDAA O=C(Cc1nnc(O)c2ccccc12)Nc1ccc(O)nn1 1517839419 CAWQIRPPMLJWRE-UHFFFAOYSA-N 297.274 1.012 0 50 CDAA C=CC(=O)N[C@@H](CCSC)c1nnc2ccccn12 1346081967 NTZSOECTFGEUAO-JTQLQIEISA-N 276.365 1.826 0 50 CDAA CCOC(=O)[C@H]1CCN(Cc2ccccc2)CC1=O 54009853 JYFGIESQUYQLGM-ZDUSSCGKSA-N 261.321 1.641 0 50 CDAA in-vitro CC[C@H]1C=CCN1C(=O)Cn1cnc2ccccc2c1=O 952971725 MIHMSWTXCQEQEK-LBPRGKRZSA-N 283.331 1.574 0 50 CDAA O=C(NCC1CCN(c2cnsn2)CC1)[C@H]1CCCO1 952869251 NJUSTQKAZUAIFB-LLVKDONJSA-N 296.396 1.050 0 50 CDAA CN(C)[C@@H](CNC(=O)c1cncnc1N)c1cccs1 185395801 MXKRJNPWCPPYPK-JTQLQIEISA-N 291.380 1.153 0 50 CDAA CNC(=O)C1(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 408093043 NDXJZSBOXZXKNK-YNEHKIRRSA-N 278.396 1.988 0 50 CDAA Cc1cc(C)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)[nH]1 408051385 JSRQPWKGQXQUMN-MJBXVCDLSA-N 292.379 1.634 0 50 CDAA CCn1ncnc1CNC(=O)[C@@H]1CCCO[C@H]1C(C)C 408474426 WIVXGCZOBQLWGX-YPMHNXCESA-N 280.372 1.365 0 50 CDAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1n[nH]c2c1CCC2 275480414 UHONTERYKFBBRE-DZGCQCFKSA-N 298.346 1.553 0 50 CDAA Cc1ccsc1S(=O)(=O)N[C@@H](CC(F)F)C(=O)O 548201838 VMZNJMMNSGRHOW-LURJTMIESA-N 299.320 1.443 0 50 CDAA CC(C)C[C@H]1COCCN1C(=O)Cc1cncnc1 278781279 HMQDVRZZQVHWMC-ZDUSSCGKSA-N 263.341 1.293 0 50 CDAA C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CNCCO2)C1 187452734 SYCKUWLRKNRUSW-IUODEOHRSA-N 289.379 1.094 0 50 CDAA Cc1nccnc1[C@@H](C)NCCCN1CCC(O)CC1 187821068 KOUWCLJBQYOMFZ-GFCCVEGCSA-N 278.400 1.282 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](CC1CC1)C(=O)O 668294251 TTYPKDXQJVRMIZ-MVWJERBFSA-N 269.341 1.419 0 50 CDAA CO[C@H](C(=O)Nc1ccc(C(=O)O)c(C)c1)[C@@H]1CCOC1 659135408 PKWDPERWKDQGRE-MFKMUULPSA-N 293.319 1.683 0 50 CDAA CCO[C@H]1C[C@](CO)(NC(=O)c2cc(C)no2)C1(C)C 188836196 PKKZOGBFSSHOQC-SMDDNHRTSA-N 282.340 1.279 0 50 CDAA Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 189056946 UDXXCTZIIROAEE-RISCZKNCSA-N 292.379 1.864 0 50 CDAA CCOc1ccc(-c2cn(CC[C@@H](C)O)nn2)cn1 641088920 ATEOTWXRGMSSRQ-SNVBAGLBSA-N 262.313 1.510 0 50 CDAA CC(C)CO[C@@H](C)c1noc(Cn2ncccc2=O)n1 195422152 GGKAYBGTVXRTEX-JTQLQIEISA-N 278.312 1.408 0 50 CDAA C[C@](O)(CN1CCO[C@@H](CCc2ccccc2)C1)C(=O)O 567509686 LQNVWPWHFARBQS-HOCLYGCPSA-N 293.363 1.156 0 50 CDAA COCC1(CC(=O)N2CCC[C@@H]2Cn2ccnc2C)CC1 567940601 ABIXNHNAWGBMRJ-CQSZACIVSA-N 291.395 1.999 0 50 CDAA O=C(O)c1cc(/C=C/c2cn(C3CCC3)nn2)ncn1 656612510 CFGDFFAIEDMOIQ-SNAWJCMRSA-N 271.280 1.662 0 50 CDAA Cc1cc(C(=O)NCCNc2ncccn2)ns1 585079515 CGHFRRSZAFTUOJ-UHFFFAOYSA-N 263.326 1.083 0 50 CDAA Cn1c(C(=O)NC[C@H]2CCCO2)cc(=O)c2ccccc21 585089300 CAJDMMULXWNGPY-LLVKDONJSA-N 286.331 1.447 0 50 CDAA C[C@@H]1CCC[C@@H](CNC(=O)NCC2CS(=O)(=O)C2)C1 585137728 RDBYFBMYPVMYPA-GHMZBOCLSA-N 288.413 1.157 0 50 CDAA CN(C)[C@@H]1CCc2ccccc2N(C(=O)c2ccn(C)n2)C1 585122515 SWXORXVBZXZDIX-CQSZACIVSA-N 298.390 1.943 0 50 CDAA COC(=O)c1nccc(N(C)C[C@H]2CCCC[C@H]2O)n1 596185200 FZARVTIYFVBITM-GHMZBOCLSA-N 279.340 1.251 0 50 CDAA CNc1nc(CN(C)CCn2ccnc2C)cs1 244852660 UWMTWGBHVFYATJ-UHFFFAOYSA-N 265.386 1.822 0 50 CDAA CC[C@@H](C)S(=O)(=O)NC(=O)c1ccc2c(c1)ncn2C 785078834 PDVXCZUKMXJFAY-SECBINFHSA-N 295.364 1.431 0 50 CDAA c1ccc(-n2cnc(CN[C@@]34CCC[C@H]3NCC4)n2)cc1 1615058813 RIOFSYWECGQESW-GDBMZVCRSA-N 283.379 1.642 0 50 CDAA COCc1cc(CN[C@H]2CCN(c3ccccc3)C2)[nH]n1 1506427052 JZLFTJCVNKGWKF-ZDUSSCGKSA-N 286.379 1.925 0 50 CDAA Cc1cnc(NC[C@@H]2CCCOC2)nc1N(C)C 1529110034 JFLIRAACDYWUAY-NSHDSACASA-N 250.346 1.690 0 50 CDAA CCC[C@]1(C(=O)O)CCN(Cc2cccnc2)C[C@@H]1O 1704304002 MCQCNVYIIVBRAW-ZFWWWQNUSA-N 278.352 1.519 0 50 CDAA CCN(C)c1ccnc(NCCCn2nc(C)nc2C)n1 1704328959 QGNCMDYACQSZJH-UHFFFAOYSA-N 289.387 1.643 0 50 CDAA Clc1nc(C2CCOCC2)cc(N2CCOCC2)n1 214478351 GQSNGIRFFBRLDG-UHFFFAOYSA-N 283.759 1.861 0 50 CDAA O=C1NCCN(C[C@H](O)C(F)(F)F)[C@@H]1c1ccccc1 121619374 ZGPHHIBKRCMYHE-WDEREUQCSA-N 288.269 1.083 0 50 CDAA Cc1nc(C)c(CNC(=O)NCc2cnn(C)c2)s1 332353519 VZMJJNYHKZGHHP-UHFFFAOYSA-N 279.369 1.493 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1nc2ccccc2n1C 1772700737 GVOQNIVUGPIZLY-STQMWFEESA-N 298.390 1.768 0 50 CDAA O=C([C@@H](O)c1cccc(F)c1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775979213 YSSTTXCLMNPHGT-UNJBNNCHSA-N 279.311 1.088 0 50 CDAA C[C@@H](NC(=O)CSc1nncc(=O)[nH]1)c1ccccc1 5625734 QTAVMPCQQXXADH-SECBINFHSA-N 290.348 1.134 0 50 CDAA O=C([C@@H]1CCCO1)N1CCC(O)(c2ccccn2)CC1 12114555 KAAFOERLHCNAHE-LBPRGKRZSA-N 276.336 1.071 0 50 CDAA CC(C)Nc1ccc2nonc2c1S(=O)(=O)NC(C)C 12382666 XSAUARIYFVMQSV-UHFFFAOYSA-N 298.368 1.730 0 50 CDAA COc1ccc(Br)c(/C=C2\NC(=O)NC2=O)c1 13914819 AGRCBNMIOUOTFS-UITAMQMPSA-N 297.108 1.638 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2=O 19312810 XVQQUKWZXGSIDI-UHFFFAOYSA-N 256.349 1.912 0 50 CDAA biogenic CCc1ccc(OC[C@H](O)CN2CCN(CC)CC2)cc1 19790343 SSGZTFFYHNEZRO-MRXNPFEDSA-N 292.423 1.626 0 50 CDAA COc1cccc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 19794760 NTXXWKAREKTDBY-MELADBBJSA-N 295.379 1.544 0 50 CDAA Cc1nccn1CCNC(=O)c1ncc(F)cc1F 19836267 KQKZVAAXDNHTBE-UHFFFAOYSA-N 266.251 1.295 0 50 CDAA CCCCOc1ccc(CNC(=O)c2cn[nH]n2)cc1 206653477 GTWVHNQNZUDLIE-UHFFFAOYSA-N 274.324 1.914 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)[C@@H]1C[C@@H]2C=C[C@H]1C2 1857693365 TXCFOQNMMPNGHA-JFGNBEQYSA-N 268.320 1.786 0 50 CDAA COCc1ccc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)o1 1857717556 OYDTXOFQCHPWLR-SRVKXCTJSA-N 294.351 1.017 0 50 CDAA CNC(=O)[C@H]1CN(c2nc3ccccc3cc2C)CCO1 302029686 BJWKAVGUVDCQFY-CQSZACIVSA-N 285.347 1.494 0 50 CDAA O=C(O)c1ccc(I)cc1O 1701207 UQOZVZTUJNRMBV-UHFFFAOYSA-N 264.018 1.695 0 50 CDAA in-vitro OC[C@H]1CN(Cc2ccc(-c3ccccn3)nc2)CC[C@@H]1O 563023758 NGYHJTPXOZROTE-PBHICJAKSA-N 299.374 1.319 0 50 CDAA C[C@H]1CN(C(=O)C2(C(=O)O)CC2)C[C@H](c2ccccc2)O1 154826166 WEBQKHGKKMNSAG-WCQYABFASA-N 289.331 1.840 0 50 CDAA C[C@H]1CCn2ncc(C(=O)N[C@@H](CC3CC3)C(=O)O)c2C1 577637210 NBPRDKQHWOZTLW-CABZTGNLSA-N 291.351 1.449 0 50 CDAA CC1(C)C[C@@H](NC(=O)NCCc2nccs2)CCO1 162898659 VSLAPSQOZDSVPF-JTQLQIEISA-N 283.397 1.942 0 50 CDAA C[C@@H]1COCCN1S(=O)(=O)c1cccc2cccnc12 265238689 XLQZQXQYGOMMIA-LLVKDONJSA-N 292.360 1.644 0 50 CDAA Cn1cncc1-c1nc(-c2cnn(CCF)c2)no1 901999940 VVFJAFJAMLFOEE-UHFFFAOYSA-N 262.248 1.303 0 50 CDAA Cc1nc(CN2CC[C@@](F)(CO)C2)nc2ccccc12 802013329 ABBKINJFIKKBTJ-HNNXBMFYSA-N 275.327 1.845 0 50 CDAA O=C(N[C@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccncc1 910620582 PGLWBELUJUJVSG-AVERBVTBSA-N 290.319 1.224 0 50 CDAA CCCOCC(=O)NCc1cccc2nsnc12 952992796 CPVUZYPWSFBREP-UHFFFAOYSA-N 265.338 1.734 0 50 CDAA O=C(c1coc2ccc(F)cc12)N1C[C@H](CO)C[C@H]1CO 1875285946 HNAGSJHEIPZSLJ-KOLCDFICSA-N 293.294 1.387 0 50 CDAA C[C@H]1CN(C)C(N2C[C@H](c3ccccc3)[C@H]2CO)=N1 1875404744 SVQODGSDMDOMPH-IACUBPJLSA-N 259.353 1.137 0 50 CDAA CCS(=O)(=O)C[C@@H](C)Nc1cnc2c(c1)c(C)nn2C 134845525 PGPIJFVIZDDZDN-SECBINFHSA-N 296.396 1.512 0 50 CDAA OCCn1cc(-c2noc([C@H]3CC=CCC3)n2)cn1 1776005564 GQTHBODVUGTLCV-JTQLQIEISA-N 260.297 1.749 0 50 CDAA Oc1nncc(N2CC[C@@H](Nc3nccs3)C2)c1Cl 897433404 XMAYCKPXJDPOJN-SSDOTTSWSA-N 297.771 1.983 0 50 CDAA C[C@H](CN1CCOCC1)Nc1ncc2ccccc2n1 165676988 CFULMZDTBMEYPG-GFCCVEGCSA-N 272.352 1.762 0 50 CDAA CO[C@H](C(=O)N1CCC[C@@H]([C@H](C)N)C1)c1ccccc1 251498829 HHOWOBJOTQLWAW-CFVMTHIKSA-N 276.380 1.960 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)CCO1 262922969 IVNCLHSPEGZRHN-FRRDWIJNSA-N 283.368 1.905 0 50 CDAA Cc1nc(CN2C(=O)CC3(CCCC3)CC2=O)no1 95498045 ANIHEZBAMHYAOG-UHFFFAOYSA-N 263.297 1.587 0 50 CDAA CC(C)n1cncc1CN1CCO[C@H](CCO)C1 97532551 ZKAKLBOITMNGPS-CYBMUJFWSA-N 253.346 1.047 0 50 CDAA COC1CCC(NC(=O)c2ccc(F)cn2)CC1 334783219 RDOFFHVKCSLWRS-UHFFFAOYSA-N 252.289 1.908 0 50 CDAA Cc1ccn2c(C(=O)N[C@@H]3C[C@@H](CN)C3(C)C)cnc2c1 2325800029 HVIKFQHBWOLTER-WCQYABFASA-N 286.379 1.746 0 50 CDAA O=C(O)C1(c2ccc(Cl)cc2)CCS(=O)(=O)CC1 2325712112 NCKRELRSRIEDJQ-UHFFFAOYSA-N 288.752 1.871 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1 216226 ZRRVAFHXZSACSY-SECBINFHSA-N 263.322 1.280 0 50 CDAA CCNC(=O)OCn1c(=O)sc2ccccc21 389912 YMVINOPTQCHSDJ-UHFFFAOYSA-N 252.295 1.767 0 50 CDAA CON(C)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2517116 IKRXSZUARJIXLZ-JTQLQIEISA-N 274.361 1.946 0 50 CDAA COc1ccc(C(=O)NC[C@H](C)CN(C)C)cc1OC 2828071 YBTQAPGSPRIBGT-NSHDSACASA-N 280.368 1.631 0 50 CDAA COc1cccc(F)c1-c1nc(N2CCOCC2)n[nH]1 2356162868 MVJJYMNFGRCDKS-UHFFFAOYSA-N 278.287 1.456 0 50 CDAA CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 4866627 IZLXMNQQUVNXSE-UHFFFAOYSA-N 271.114 1.442 0 50 CDAA CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(CNCCO1)C2 100295749 SWXVOKDTXKRXKI-JYAVWHMHSA-N 282.384 1.907 0 50 CDAA CCc1nn(C)cc1C(=O)N1CCC[C@H](CCC(=O)O)C1 227546039 LFZKUECDJMOQJY-LLVKDONJSA-N 293.367 1.700 0 50 CDAA CCN(CC)C(=O)CN1C(=O)COc2ccc(Cl)cc21 9236122 VPECAVWRINEERD-UHFFFAOYSA-N 296.754 1.934 0 50 CDAA C[C@@H]1C(=O)OC[C@@H]1C(=O)NCc1ccc2ncccc2c1 20915055 IVDINHWPFPWQQI-GWCFXTLKSA-N 284.315 1.660 0 50 CDAA NC(=O)[C@H](N[C@@H]1CCSC1)c1ccc(F)cc1 134879501 HJEZXGPFWAXEPI-GHMZBOCLSA-N 254.330 1.447 0 50 CDAA C=CC(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 328597459 HMTWUOXILRQUJM-SECBINFHSA-N 291.332 1.884 0 50 CDAA CC(=O)N[C@@]12CC3CC(C)(C1)C[C@@](NC(C)=O)(C3)C2 100389166 ROJXOZJNYVQVOH-WUCCLRPBSA-N 264.369 1.740 0 50 CDAA Cc1nc(C2CCN([C@@H]3CCSC3)CC2)cc(=O)[nH]1 23543092 WEJSECZUIVCAEM-GFCCVEGCSA-N 279.409 1.763 0 50 CDAA Cn1nccc1[C@@H]1CCCCN1C(=O)N=c1cccn[nH]1 328588864 XWTHQFYNMUNTBG-LBPRGKRZSA-N 286.339 1.391 0 50 CDAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H](C(N)=O)C(C)C 229354248 MXFYDEQHFPEDPJ-YIYPIFLZSA-N 298.427 1.986 0 50 CDAA Cc1ccc(C)c(OCCNC(=O)[C@@H]2CCOC2)c1 67739995 PEAQWKBFWZULSZ-CYBMUJFWSA-N 263.337 1.835 0 50 CDAA O[C@@H]1CN(Cc2ccncc2)CC[C@H]1N1CCCCCC1 23368308 ATGQCVHIVGVSDN-IAGOWNOFSA-N 289.423 1.893 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cc[nH]c1 328645454 ZQZXBQJPUSULEF-NSHDSACASA-N 258.325 1.546 0 50 CDAA CN(C)CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O 347743261 GARCWMGJPYFQTR-GUTXKFCHSA-N 268.401 1.480 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCn3ccnc3C2)on1 328623134 IXGVSWNRGZRHGG-JTQLQIEISA-N 260.297 1.172 0 50 CDAA O=C(N[C@H]1[C@H]2CCC[C@H]21)N1CC[C@@H](CN2CCCC2)C1 426748033 UHCLLMQBXBXWOW-XQLPTFJDSA-N 277.412 1.912 0 50 CDAA C[C@@H](C(=O)N=c1ccn([C@@H]2CCNC2)[nH]1)c1cccs1 328629823 PFFGMUGXRJPPPI-GHMZBOCLSA-N 290.392 1.643 0 50 CDAA CC(C)N(C)Cc1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 329741045 VTRFHMOVEHYFHG-CHWSQXEVSA-N 294.399 1.836 0 50 CDAA OCCN1CCc2onc(-c3ccc(F)c(F)c3)c2C1 67983266 IQRVATYNRAKSQJ-UHFFFAOYSA-N 280.274 1.970 0 50 CDAA CCc1nc(NS(=O)(=O)c2cc(C)c(C)s2)n[nH]1 331293018 BUVKXLUGECDDCX-UHFFFAOYSA-N 286.382 1.846 0 50 CDAA CC[C@H](C)n1[nH]c(=NC(=O)N2CC(N(C)C)C2)cc1C 331789236 PNMAQVFOECGLOR-JTQLQIEISA-N 279.388 1.362 0 50 CDAA CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCCCC(=O)N(C)C)C1(C)C 332067034 SRHHIVHVXCWIPB-RAIGVLPGSA-N 299.415 1.214 0 50 CDAA Cc1cc2c(c(-c3ncc(F)cn3)c1)O[C@H](CN)C2 67954836 UNXLOUUENRETMI-NSHDSACASA-N 259.284 1.853 0 50 CDAA c1ccc(-n2cnnc2CCCN2CCOCC2)cc1 67743838 FGYINDLQNPBPDH-UHFFFAOYSA-N 272.352 1.532 0 50 CDAA CC(=O)O[C@@H]1CSC[C@@H]1NC(=O)c1ccccc1 323694 LXWGFYRUAGBBNK-NWDGAFQWSA-N 265.334 1.464 0 50 CDAA biogenic COc1cc(OC)c2c(c1)OC[C@H]1CON(C)[C@@H]21 1400409 MABHGRDPPVAZHP-ISVAXAHUSA-N 251.282 1.631 0 50 CDAA CC(C)C[C@@](C)(CN)NS(=O)(=O)N1CCCCC1 130984649 HJRKKOFCDAGVDR-LBPRGKRZSA-N 277.434 1.070 0 50 CDAA CCn1ncc(C(=O)N2CCN[C@H](C)C2)c1C(F)(F)F 236978393 KKOJSDXYRNPOGV-MRVPVSSYSA-N 290.289 1.356 0 50 CDAA CO[C@@]1(C)C[C@H](N(C)C(=O)c2csc(CN)n2)C1(C)C 237159967 JRPKDHNJGNVPRU-HZMBPMFUSA-N 297.424 1.877 0 50 CDAA CCCc1nc(CN2CCC[C@H]2c2nc(N)n(C)n2)no1 284428555 YJHOLOSBTQAPJC-VIFPVBQESA-N 291.359 1.070 0 50 CDAA Cc1ccccc1Cc1nnn(CCOC(=O)N(C)C)n1 131111716 BXNDBYDDRCZFPR-UHFFFAOYSA-N 289.339 1.271 0 50 CDAA O=C(CO)N1CCC[C@@H](CCc2ccccc2F)C1 71763168 SOCKIAAPUYRMLD-LBPRGKRZSA-N 265.328 1.989 0 50 CDAA COC[C@H]1CN(c2ncc(C)c(C)n2)CC(C)(C)O1 284873306 GAOTVFJCJVNZDK-GFCCVEGCSA-N 265.357 1.724 0 50 CDAA O=C1C[C@H](C(=O)Nc2nnc(C(F)(F)F)s2)CCN1 130311788 APDJNSNNDFAUHZ-SCSAIBSYSA-N 294.258 1.022 0 50 CDAA CCOC(CN1CC[C@@H]2CCN(C)C[C@@H]21)OCC 253417107 QBFKFYOKDYAHRC-STQMWFEESA-N 256.390 1.412 0 50 CDAA CCCCCNC(=O)N1CCN(c2nc(N)ns2)CC1 253427078 VMPWJVUCZGHDFH-UHFFFAOYSA-N 298.416 1.142 0 50 CDAA CCc1ccnc(C(=O)N2C[C@H](COC)OC(C)(C)C2)c1 285563564 RMRACCTYUHUKCM-CYBMUJFWSA-N 292.379 1.910 0 50 CDAA C=Cn1cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cn1 364589697 NRPCEIRBVGTFHK-XQQFMLRXSA-N 260.341 1.069 0 50 CDAA Cc1cccn2c(CN3CCC[C@H](C(N)=O)C3)cnc12 155053331 UFJHFDQSPFEGHZ-LBPRGKRZSA-N 272.352 1.340 0 50 CDAA Cc1cc2nc(C(C)C)cc(N[C@@H]3CCCNC3=O)n2n1 72424554 LWMXMZQVXJLZHV-LLVKDONJSA-N 287.367 1.852 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)C[C@@H]1CCOc2ccccc21 342524652 LTLHYILOSVRJLV-MNOVXSKESA-N 277.320 1.874 0 50 CDAA O=C(NCCN1CCNC1=O)c1cc2ccccc2o1 219569447 HTUCZOZYXXRAIQ-UHFFFAOYSA-N 273.292 1.188 0 50 CDAA O=C(CCc1cc(O)no1)N1CCC2(CCCO2)CC1 71745452 DIGWTHGXRCQUMJ-UHFFFAOYSA-N 280.324 1.484 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1sccc1C 219401822 VFWZWLIBHRNNAU-NXEZZACHSA-N 255.339 1.590 0 50 CDAA CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](C(=O)O)[C@H]2C)c1C 262953155 HKLQCIPUERVCNR-KOLCDFICSA-N 292.335 1.769 0 50 CDAA O=C(NCc1ccc(C(=O)O)o1)c1ccc2nccn2c1 218927032 WIWYGYINANZAIC-UHFFFAOYSA-N 285.259 1.556 0 50 CDAA O=C(c1c[nH]nc1-c1ccccn1)N1CCC12COC2 615921381 LZVRZNIAAPATIC-UHFFFAOYSA-N 270.292 1.087 0 50 CDAA CC(C)(C)OC(=O)NCCc1nc(C(=O)O)cs1 84193250 VMAUFWNXIMPXPN-UHFFFAOYSA-N 272.326 1.909 0 50 CDAA Cc1c(C(=O)O)sc2ncnc(N[C@H]3CCOC3)c12 131570693 OIOATEKBWNAARU-ZETCQYMHSA-N 279.321 1.899 0 50 CDAA CSc1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 220241148 BCIUUUQIVVIRJO-NSHDSACASA-N 278.377 1.759 0 50 CDAA COC[C@@H]1CCN(C(=O)c2cc3c(cc2C)OCCO3)C1 223770946 PZSWZIDDXNZLTB-GFCCVEGCSA-N 291.347 1.875 0 50 CDAA CO[C@](C)(C(=O)Nc1cnn(CC(F)F)c1)C1CC1 291799549 YOYPEKBOJVZFGO-LBPRGKRZSA-N 273.283 1.902 0 50 CDAA CC1(C)CC[C@@H](CNC(=O)c2nc[nH]c3nccc2-3)O1 613700845 JHKBJJYFDSIUJH-VIFPVBQESA-N 274.324 1.597 0 50 CDAA CN(C(=O)/C=C/c1c(F)cccc1F)[C@@H]1CCNC1 179068990 NGDGWNCYBZPCJT-BRAIEQGRSA-N 266.291 1.798 0 50 CDAA CCCC[C@@H](CC(=O)O)NC(=O)c1cc(=O)cc(C)[nH]1 426640559 UZXSZGPDBLLKOJ-JTQLQIEISA-N 280.324 1.447 0 50 CDAA CSCc1ccc(C(=O)N2CC(N3CCOCC3)C2)o1 223165398 VYSLBFVOOVAPBV-UHFFFAOYSA-N 296.392 1.299 0 50 CDAA CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)[nH]n1 97301426 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Cc1cc(CNC(=O)N2CC(=O)N[C@@H](C)C2)ccc1F 297325545 GHNVMOUBRTZKJY-JTQLQIEISA-N 279.315 1.164 0 50 CDAA CC[C@H](C)N(CCO)c1ncc(Br)cn1 253393531 FQJZHZHNPNHTSO-QMMMGPOBSA-N 274.162 1.836 0 50 CDAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@H]1CCNC1 299740133 WDSJZOBWBABXAG-JOYOIKCWSA-N 268.744 1.099 0 50 CDAA CN(Cc1ccon1)C(=O)NCC(C)(C)N(C)C 534672315 OVAURSKDPSENJS-UHFFFAOYSA-N 254.334 1.156 0 50 CDAA O=C(NCc1noc(C2CC2)n1)c1cncc(F)c1 535016448 NQKQEZKDWOXQLA-UHFFFAOYSA-N 262.244 1.411 0 50 CDAA O=C(O)[C@@H]1CCCN1c1cc(C(F)(F)F)ncn1 261494918 SQJHNDQFNAZPBK-LURJTMIESA-N 261.203 1.549 0 50 CDAA CNC(=O)c1cccnc1NCCC[C@H]1CCOC1 450888279 LFWCSLYUIGHVRD-NSHDSACASA-N 263.341 1.670 0 50 CDAA CCCCc1ncc(CN2C[C@@H]3CN(C)C[C@@H]3C2)[nH]1 822884285 CGCIIGLFEBFSJP-BETUJISGSA-N 262.401 1.746 0 50 CDAA NC[C@@H]1CCCCN1C(=O)NCc1ccc(CO)cc1 827268000 LGZSGMLBXSJJDZ-AWEZNQCLSA-N 277.368 1.202 0 50 CDAA COC[C@@H]1CCCN1C(=O)CCN1CCCCCC1=O 824469449 QGWNCCYXIRTKQJ-ZDUSSCGKSA-N 282.384 1.417 0 50 CDAA CN(C)CCCN(C)C(=O)[C@@H]1CCCCCN1C 823693046 IIWGXPAXWXLVGG-ZDUSSCGKSA-N 255.406 1.271 0 50 CDAA Cc1nn(C)c(C)c1CN(C)C(=O)c1c(C)ncnc1C 584900531 ZDCJGUPQKOVRIB-UHFFFAOYSA-N 287.367 1.716 0 50 CDAA CCS[C@H](C)C[C@@H]1CC(=O)CC(=O)[C@H]1C(=O)OC 584904292 CVZKLPQJZINCBZ-LNLATYFQSA-N 272.366 1.856 0 50 CDAA Cc1nc(C)n(CCCn2cnc3ncccc3c2=O)n1 584894687 IXGQAAPIXYUEAL-UHFFFAOYSA-N 284.323 1.090 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)Cc1cccnc1)CC2 670441816 WIGBLMICTIJIGR-UHFFFAOYSA-N 256.309 1.241 0 50 CDAA CN1CCN(C(=O)Cc2cccc3ncccc23)CC1 873721322 PKZKLXRFBPVMSS-UHFFFAOYSA-N 269.348 1.551 0 50 CDAA CCNc1nc(C)c(C(=O)N(C)CC2(C)COC2)s1 863936952 DRDILVKWEIXFOF-UHFFFAOYSA-N 283.397 1.992 0 50 CDAA OC[C@]1(NCc2cccnc2O)CCOc2ccccc21 1875284803 NQGVDYGSYGGABB-MRXNPFEDSA-N 286.331 1.547 0 50 CDAA CC[C@H](C(=O)N[C@H](CC1CC1)C(=O)O)C1CCOCC1 1875291556 DLWWXJIMGNNWIH-QWHCGFSZSA-N 283.368 1.809 0 50 CDAA CCCn1cnc(NS(=O)(=O)c2cncc(F)c2)c1 1875279905 KYOAGHKVPZPHNT-UHFFFAOYSA-N 284.316 1.628 0 50 CDAA 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262.353 1.632 0 50 CDAA O=C(c1cccc(-n2cccn2)c1)N1CC=C[C@@H]1CO 77419832 WKALONOWVDHBPW-CQSZACIVSA-N 269.304 1.245 0 50 CDAA CCCn1ccnc1CN(C)CCN1CCCCC1=O 215450276 PQMCGHGCELUQCX-UHFFFAOYSA-N 278.400 1.737 0 50 CDAA Cc1cnc(N[C@@H]2CCN(c3cnn(C)c3)C2=O)nc1C 253417026 BEHJVCYECMXUHW-GFCCVEGCSA-N 286.339 1.044 0 50 CDAA O=C(c1ccc2ccccc2n1)N1C[C@@H](F)C[C@H]1CO 335322065 NVCGFHGKKLMCFZ-RYUDHWBXSA-N 274.295 1.780 0 50 CDAA COc1ccccc1[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 152802697 HWULGSBPAWHTJO-AWEZNQCLSA-N 299.374 1.987 0 50 CDAA CC(=O)NCc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)s1 153516591 CYEVXKQTECVQIP-NXEZZACHSA-N 295.408 1.207 0 50 CDAA CC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](N)CC2 261561361 VFXBBHIGJTXGOV-ZETCQYMHSA-N 253.371 1.944 0 50 CDAA C[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)C[C@@H](C)N1 153776659 DEKQJCJFGBWWME-LOWFTVKWSA-N 286.375 1.844 0 50 CDAA O=C(NCC1(CCO)CCCC1)[C@@H]1C[C@H]1C1CCNCC1 368092366 LLTHCYVXJJCUPG-LSDHHAIUSA-N 294.439 1.681 0 50 CDAA NCC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 72409823 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CN(CC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1)C(N)=O 426728102 AOMVMUTUZBJOEA-ZDUSSCGKSA-N 289.379 1.649 0 50 CDAA Cc1cc(C)c2c(CC(=O)N[C@H]3CCNC3=O)coc2c1 426478109 XJGZHTZMWKBSGJ-LBPRGKRZSA-N 286.331 1.597 0 50 CDAA CCc1cnc(N)nc1N[C@H]1CCCN(C(C)=O)C1 95379843 NADZXUZNUZTNFV-NSHDSACASA-N 263.345 1.044 0 50 CDAA O=C(Nc1cccc2c1CCC2)N[C@@H]1C=CS(=O)(=O)C1 95521865 CEAVGUQCTNJZHJ-LLVKDONJSA-N 292.360 1.608 0 50 CDAA CN(Cc1ccoc1)C(=O)Cn1ccc2ncccc2c1=O 95531173 ZUXMYHHZTMSRLP-UHFFFAOYSA-N 297.314 1.648 0 50 CDAA FC1(F)[C@@H]2[C@H]3O[C@@H]([C@H]4[C@H]3[C@H]3C=C[C@H]4O3)[C@H]2C1(F)F 238899910 HGNFEDIMSWVEKW-XCFDIREASA-N 262.202 1.854 0 50 CDAA CC[C@]1(C(=O)O)CCCN(c2nccnc2N(C)C)C1 91643242 ZMFVHZYIJVYDIG-AWEZNQCLSA-N 278.356 1.624 0 50 CDAA O=C1NCCCc2[nH]c(-c3ccc4nsnc4c3)nc21 95381389 LHXCFSQZKVZAHC-UHFFFAOYSA-N 285.332 1.757 0 50 CDAA CC(C)(C)c1nnc(N2CCC[C@@H](C(N)=O)C2)o1 91486594 OWMNZZITSLBICH-MRVPVSSYSA-N 252.318 1.069 0 50 CDAA O=c1cc(CNC[C@H]2COCCO2)[nH]c2ccc(F)cc12 95358044 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LHGBATJBHMPGIK-JOYOIKCWSA-N 274.320 1.532 0 50 CDAA C=CC(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C 1336682014 PCKKEAZFAKTYEN-SNVBAGLBSA-N 256.346 1.934 0 50 CDAA CC[C@H](COC)NC(=O)c1cc(C(F)(F)F)n(C)n1 299773450 BNJRIJBVAPYBSL-SSDOTTSWSA-N 279.262 1.594 0 50 CDAA CC[C@H](NC(=O)C(C)(C)OC)c1ncnn1CC 822667757 INGYBDYKLDSOJH-VIFPVBQESA-N 254.334 1.290 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)c1ncccc1O)CC2 828931717 CLAHCCANSDWGJV-UHFFFAOYSA-N 258.281 1.017 0 50 CDAA COc1cccc2ncn(CC(C)(C)N(C)C)c(=O)c12 584900895 SAYUOUPUVHLNHT-UHFFFAOYSA-N 275.352 1.745 0 50 CDAA COCC(C)(C)NC(=O)N(C)[C@@H](C)c1ccncn1 824340523 GREJTGQBJIVJHW-JTQLQIEISA-N 266.345 1.604 0 50 CDAA CN1C[C@H](NS(=O)(=O)c2ccco2)Cc2ccccc21 585135034 UUYNGVXSCRXRFC-GFCCVEGCSA-N 292.360 1.619 0 50 CDAA Cc1cc(=NCCn2cncn2)c2cc3c(cc2[nH]1)OCO3 584888927 BCHJBTZUUDTKQK-UHFFFAOYSA-N 297.318 1.397 0 50 CDAA CCc1cc(N2CCN([C@H]3CCSC3)CC2)ncn1 584884923 BBLGQKNPUKFFPN-ZDUSSCGKSA-N 278.425 1.667 0 50 CDAA O=C(C[C@@H]1CCOC1)NCc1ccc2nsnc2c1 670445486 JVTSKKBFWBMGBN-JTQLQIEISA-N 277.349 1.734 0 50 CDAA COCc1nc(CCc2ccncc2)n(-c2cccnc2)n1 670454636 WISATDZXRKSUEJ-UHFFFAOYSA-N 295.346 1.989 0 50 CDAA CCCN1C[C@@H](NC(=O)C(C)(C)n2cccc2)CC1=O 670445948 ZMBULQKAGHKSNB-LBPRGKRZSA-N 277.368 1.350 0 50 CDAA CCN(C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cn[nH]c2)C1 270377592 VDQXQGUMPCRGIG-NEPJUHHUSA-N 279.388 1.454 0 50 CDAA Cc1ncncc1C(=O)N1CCOc2ccccc2[C@@H]1CO 1551075272 IEMHYSKFGPOGCM-AWEZNQCLSA-N 299.330 1.353 0 50 CDAA CN(CCCNc1cnc(F)cn1)c1ccccn1 952883801 QGLKBBJPQGVACR-UHFFFAOYSA-N 261.304 1.949 0 50 CDAA CCc1c[nH]c2ncnc(N3CC[C@@H](CO)[C@H]3C)c12 1163167378 XLDYKPANIDIEEI-KOLCDFICSA-N 260.341 1.727 0 50 CDAA Cc1ccc(O)cc1C(=O)NC(C)(C)c1nc[nH]n1 1875275186 VLDXLDZYQMHACH-UHFFFAOYSA-N 260.297 1.484 0 50 CDAA Cc1ccc2c(c1)CCN2C(=O)c1cc(C(=O)O)nn1C 864143882 ROVPPSYSGWZTIA-UHFFFAOYSA-N 285.303 1.630 0 50 CDAA COC(=O)/C=C/CNC(=O)C[C@@H](O)c1cccc(F)c1 1875333124 BXCFXQAQXFMQHW-MJRJWQSSSA-N 281.283 1.095 0 50 CDAA O=C(NC[C@@H]1C[C@H]2CC[C@@H]1O2)c1nnc2ccccc2c1O 1875332615 AXGHYEVYZFGOQZ-CWSCBRNRSA-N 299.330 1.633 0 50 CDAA O=C(N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O)c1ccc(F)o1 1875401052 RPNKBBPOFJMBGK-HBNTYKKESA-N 293.298 1.185 0 50 CDAA CS[C@H]1CN(c2nc(C)cc(C)n2)C[C@H]1N(C)C 271098643 MJAXLAINCZCQHO-NEPJUHHUSA-N 266.414 1.575 0 50 CDAA CN(C)CC1(CO)CCN(C(=O)[C@@H]2CC2(C)C)CC1 952989322 UQARXOPVZXHXIE-LBPRGKRZSA-N 268.401 1.195 0 50 CDAA O=C(/C=C/c1cc(CO)cs1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 952964533 NZGYISUGTFLDOW-VDPPJIMRSA-N 293.388 1.768 0 50 CDAA CCc1nsc(N(C)C[C@@H](O)c2cccnc2)n1 895937893 XQHSBUGOWBSYQY-SNVBAGLBSA-N 264.354 1.665 0 50 CDAA COc1cc(C(=O)NCCc2cc[nH]n2)cc(OC)c1C 1775984799 AJJHTBRLQINTQA-UHFFFAOYSA-N 289.335 1.708 0 50 CDAA Cn1ccnc(NC(=O)C(C)(C)C(F)(F)F)c1=O 1354793521 IZGILBWUMCEENR-UHFFFAOYSA-N 263.219 1.307 0 50 CDAA CS(=O)(=O)Cc1nc(CN2CCC=C(F)C2)cs1 271583089 DYGTZHMBVFHJRI-UHFFFAOYSA-N 290.385 1.747 0 50 CDAA Cc1ccnc(NCc2cn(C[C@H]3CCOC3)nn2)c1 630950758 BQZOUZRMRLIDGH-GFCCVEGCSA-N 273.340 1.630 0 50 CDAA Cc1cccc(C(=O)NCc2nnc(C(C)C)n2C)n1 272628487 WHHDTBPFQZFZCA-UHFFFAOYSA-N 273.340 1.572 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCCc1c(C)nn(C)c1C 408474612 HFJPJHAFAODGNT-CABCVRRESA-N 293.411 1.901 0 50 CDAA CCCS(=O)(=O)NC(=O)c1ccc(OC)cc1OC 169991854 ZKSBFMFAGODYQI-UHFFFAOYSA-N 287.337 1.173 0 50 CDAA COCCCNS(=O)(=O)c1cnc2ccccc2c1 170613273 XVNJYQSRVFUFGG-UHFFFAOYSA-N 280.349 1.550 0 50 CDAA COCCCC(=O)NC[C@H](O)c1cccc(OC)c1 111637632 PJPADPACIASANQ-ZDUSSCGKSA-N 267.325 1.271 0 50 CDAA C[C@@H](NC(=O)C1(S(C)(=O)=O)CCC1)c1cccnc1 280393556 WYNIZGVFLPMKMJ-SNVBAGLBSA-N 282.365 1.226 0 50 CDAA CCN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 172240390 URZDKIIIHARTFL-LPWJVIDDSA-N 252.358 1.297 0 50 CDAA Cc1cnccc1CNS(=O)(=O)CC(C)(C)C 282711204 YPIQOEBDBGKBBF-UHFFFAOYSA-N 256.371 1.856 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cnn(C)c1 188507610 IGABOLZDXPQOKR-PWSUYJOCSA-N 251.330 1.194 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)n1 598762255 NFYONEKTYKEPNN-XAAFQQQXSA-N 297.424 1.884 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)CCc2ccoc2)cn1 189990465 UCDYZECEKQPUKT-DZGCQCFKSA-N 289.335 1.592 0 50 CDAA O=C(NCc1ccc(C(F)F)cc1)N1CC(CO)C1 190004202 UDXSTTQRKUVYDB-UHFFFAOYSA-N 270.279 1.758 0 50 CDAA Cc1nccc(CNC(=O)c2ccn(CC(F)F)n2)n1 193871765 WGIWIESKBAMHLA-UHFFFAOYSA-N 281.266 1.177 0 50 CDAA CCOC(=O)C[C@@H](NCc1ccccc1)C(=O)OCC 196356251 QEVYTOKQIQYNKZ-CYBMUJFWSA-N 279.336 1.661 0 50 CDAA in-vitro CC(C)O[C@H]1C[C@@H](NC(=O)N2CCCO[C@@H](C)C2)C1 656330917 XEVBWJQTNMSGSI-RWMBFGLXSA-N 270.373 1.763 0 50 CDAA C[C@@H](c1ccncc1)N1CCC(N=c2cncc[nH]2)CC1 571875816 AXNPIHQFGXVBDN-ZDUSSCGKSA-N 283.379 1.931 0 50 CDAA CCC[C@H](C(=O)O)N1CCC[C@H](n2ccnn2)C1 581197116 VRHVHMMSJJJMKF-WDEREUQCSA-N 252.318 1.168 0 50 CDAA CC(C)n1cc([C@@]2(O)CCCN(C(=O)C(C)(C)C)C2)nn1 583618955 MSYOMJZYCXRZRP-OAHLLOKOSA-N 294.399 1.715 0 50 CDAA CCn1cc([C@H](C)NC(=O)c2cn3c(n2)CCC3)cn1 584608514 ROUFCSXLUCUHJU-JTQLQIEISA-N 273.340 1.537 0 50 CDAA C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cnc2nccn2c1 585128268 XLHWDTMZEDXBGO-ZYHUDNBSSA-N 290.323 1.252 0 50 CDAA COc1cc(CO)ccc1C(=O)N[C@H](CCO)C(C)C 585129563 NULZYDNGIGGQKZ-CYBMUJFWSA-N 281.352 1.324 0 50 CDAA Cc1cc(C(=O)N2CCC3(CC2)COC(=O)O3)cc(C)n1 1857692663 OGZZFZXAQCMPLB-UHFFFAOYSA-N 290.319 1.840 0 50 CDAA O=C(O)CCN1CCN(c2cccc(Cl)c2)CC1 390710 ZQJISGZTZQMABT-UHFFFAOYSA-N 268.744 1.937 0 50 CDAA in-vitro O[C@H]1CCCN(c2ccnc(NCc3ccco3)n2)C1 1529150921 BELQJLRHHBJPLA-NSHDSACASA-N 274.324 1.643 0 50 CDAA Nc1ncc(Br)cc1N1CCOCC1 221924929 FLNUXRAVQMIXBH-UHFFFAOYSA-N 258.119 1.263 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](CC(=O)O)[C@H]2C1 110915510 VTGTYBFNGPKJBP-IVZWLZJFSA-N 271.313 1.343 0 50 CDAA Cc1noc(C2CN(C(=O)[C@H]3[C@H](C)C3(F)F)C2)n1 408399592 IYWBYLHPFYLCHE-YLWLKBPMSA-N 257.240 1.205 0 50 CDAA CC[C@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2C 14751238 CLVWFUGBJSTTIN-LBPRGKRZSA-N 281.400 1.922 0 50 CDAA COc1cccc(F)c1CNC(=O)[C@]12CC[C@H]1CNC2 1615553578 HPBCPNAXXSQHOV-BONVTDFDSA-N 278.327 1.450 0 50 CDAA COc1cc(F)c(CN2C[C@H](O)[C@@H](F)C2)cc1OC 1615707581 MEIFCJJDJMOGDK-QWRGUYRKSA-N 273.279 1.358 0 50 CDAA O=C(OC1CCC1)N1CCC[C@](O)(C2(C(=O)O)CCC2)C1 1616039618 RZHBLCFTWNBHFX-OAHLLOKOSA-N 297.351 1.757 0 50 CDAA Cc1cc(C)n([C@H](C)C(=O)N(C)C2CCNCC2)n1 237395457 VMODTKVNFCEVSI-GFCCVEGCSA-N 264.373 1.271 0 50 CDAA C[C@@H]1CN(C(=O)CCN)C[C@@H](c2ccsc2)O1 237409940 ZEPPJQPKXXPROY-KOLCDFICSA-N 254.355 1.385 0 50 CDAA O=S(=O)(c1ccc(CF)cc1)N1CC[C@@]2(CCCN2)C1 1875284003 IRFJJVBOWAFKLR-AWEZNQCLSA-N 298.383 1.673 0 50 CDAA NNc1ncc(Br)cc1Br 157315317 SNLGJYTUIRNJDF-UHFFFAOYSA-N 266.924 1.892 0 50 CDAA O=C(NC1CC1)c1cccc(CN2CCOCC2)c1 30873714 AFZLDPBXIAKNRI-UHFFFAOYSA-N 260.337 1.411 0 50 CDAA c1ccc2c(c1)CCc1nnc(CC3CCNCC3)n1-2 1772808809 BSQGGYLMCODYCW-UHFFFAOYSA-N 268.364 1.908 0 50 CDAA Cc1ncsc1CCN(C)CC[C@H]1COCCO1 1775981932 YQPLTEPQLUZCNQ-LBPRGKRZSA-N 270.398 1.731 0 50 CDAA CCc1cnc(N)nc1NC[C@H]1CC[C@H](C(=O)NC)CC1 1772703925 NZERJQKTAFVXOY-UMSPYCQHSA-N 291.399 1.586 0 50 CDAA CC[C@H](C(=O)N1CCC(C2(O)CC2)CC1)n1cccn1 1772810116 JDTQJSZQTRGVRA-CYBMUJFWSA-N 277.368 1.598 0 50 CDAA CCNC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 12712185 YPOBBJUJZRGHEW-OAHLLOKOSA-N 280.343 1.289 0 50 CDAA O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)C1CCC1 12589596 SIFJJSCHUKDGIP-HNNXBMFYSA-N 286.375 1.746 0 50 CDAA CC[C@H](C(=O)NC)N(c1ccc(C)cc1)S(C)(=O)=O 13712914 LDPSPKJTHKNBGF-GFCCVEGCSA-N 284.381 1.286 0 50 CDAA Cc1ccc(NC(=O)/C=C2\SC(=O)NC2=O)cc1 15799128 IUJHWXRDLXQTCB-TWGQIWQCSA-N 262.290 1.800 0 50 CDAA COC(=O)c1ccc(/C=C2/SC(=N)NC2=O)cc1 16194136 RVPDAFREEZSBDU-RMKNXTFCSA-N 262.290 1.612 0 50 CDAA COC[C@H](C)NC(=O)c1cnc2sc(C)c(C)n2c1=O 16625488 BVKLYFSORMWCKP-ZETCQYMHSA-N 295.364 1.138 0 50 CDAA CCC[C@@H](C)NC(=O)c1cnc2scc(C)n2c1=O 16626534 ZPGAAPNPQHJIQC-MRVPVSSYSA-N 279.365 1.983 0 50 CDAA COC[C@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1 19144246 GVLLDJGRUDLJPR-LBPRGKRZSA-N 277.368 1.646 0 50 CDAA OC1CCN(CCN2CCc3ccccc3C2)CC1 19228932 WSJLOMUCPNSABF-UHFFFAOYSA-N 260.381 1.501 0 50 CDAA Cc1ccccc1CSCC(=O)NCc1ncn[nH]1 19745609 UUYDQSBYRNCDGG-UHFFFAOYSA-N 276.365 1.663 0 50 CDAA Cn1nccc1C(=O)N1[C@H]2C=C(c3ccnn3C)C[C@H]1CC2 225784762 JPNYWKIRZKTVMN-CHWSQXEVSA-N 297.362 1.614 0 50 CDAA NC(=O)C[C@H]1CCCN(C[C@H](O)CC2CCCC2)C1 225597175 NOVHDYAIMOKXQK-ZIAGYGMSSA-N 268.401 1.515 0 50 CDAA Cn1nccc1NC(=O)N[C@@H](CO)Cc1ccccc1 125005897 GFMULMSHUWHBDV-GFCCVEGCSA-N 274.324 1.145 0 50 CDAA Cc1nnc(NC[C@@H]2CCO[C@H]2c2nccn2C)o1 664509491 YZJUPVCOPYBIDX-VHSXEESVSA-N 263.301 1.301 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)[C@H]1Cc2cccc(F)c2O1 136478496 BBVSPHISMGINCS-VXGBXAGGSA-N 293.294 1.595 0 50 CDAA Cn1cc(-c2cccc(CNC[C@]3(O)CCOC3)c2)cn1 368443759 ZYMJKVVLAFVWOQ-MRXNPFEDSA-N 287.363 1.328 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1 262706872 JXMMBGUARFIQJQ-FXAINCCUSA-N 293.367 1.510 0 50 CDAA COCC1(O)CN(C(=O)c2oc3c(F)cccc3c2C)C1 384039896 FRIBDBJTIWTAMM-UHFFFAOYSA-N 293.294 1.714 0 50 CDAA Cc1nc(N2C[C@H](O)[C@H](O)C2)c2c(C)c(C)sc2n1 388318511 MHXQCMFTGPZVEV-AOOOYVTPSA-N 279.365 1.158 0 50 CDAA CNC(=O)Cn1cc(-c2ccccc2)c(N(C)C)cc1=O 902595418 PVFVHTRNSJOYEW-UHFFFAOYSA-N 285.347 1.327 0 50 CDAA CCOc1nc(C(=O)N(C)c2ncccc2OC)co1 904037443 HAIXHMXHWSDYMF-UHFFFAOYSA-N 277.280 1.754 0 50 CDAA CCNC(=O)C1(CNC[C@@H](O)c2ccc(F)cc2)CCC1 819260462 SSSPOWKRDRJUGW-CQSZACIVSA-N 294.370 1.755 0 50 CDAA Cc1cc(C)n(C2CN(CC[C@@H]3COCCO3)C2)n1 1775979314 ZKZXYRDJBPTYJR-CQSZACIVSA-N 265.357 1.162 0 50 CDAA Cc1cnc(C(=O)N2CCCn3nncc3C2)cc1C 829601143 ALYHADNLUSUMAX-UHFFFAOYSA-N 271.324 1.336 0 50 CDAA CCOC(=O)c1cn(C2CNC2)nc1C(F)(F)F 1857530198 BLPDVFRRFGBFEH-UHFFFAOYSA-N 263.219 1.223 0 50 CDAA Cc1cccc([C@@H](C)NC(=O)c2ncccc2O)n1 223287502 UUMVYDBZWCHKKG-SNVBAGLBSA-N 257.293 1.982 0 50 CDAA CCn1nc(C)c(CNc2ncc(OC)cn2)c1C 225429205 OANCRSOUNULDTA-UHFFFAOYSA-N 261.329 1.931 0 50 CDAA COc1ccc(CNCC2(O)CCOCC2)cc1F 112717264 KYAIVWFSXHUZET-UHFFFAOYSA-N 269.316 1.465 0 50 CDAA CCOC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2N)C1 236969825 XEFOJAJPPOJYQQ-UPJWGTAASA-N 254.374 1.389 0 50 CDAA C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H](C)N1 153198756 KTHZFEOGFVSYEN-VXGBXAGGSA-N 272.352 1.086 0 50 CDAA Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 262292141 NWCQRZOSJMGMHU-JTQLQIEISA-N 278.308 1.618 0 50 CDAA C[C@H](C(=O)O)N(C(=O)c1ccc(F)cn1)C1CC1 262781864 ODKRACWKVVKDSX-SSDOTTSWSA-N 252.245 1.298 0 50 CDAA NC(=O)c1csc(CNC[C@H]2CCc3nccn3C2)c1 275565381 OAPGGQQCOJODBW-SNVBAGLBSA-N 290.392 1.396 0 50 CDAA C[C@@H](Nc1cc(N2CCCC2)ncn1)c1nncn1C 286372939 MIRVECRZFDWCAW-SNVBAGLBSA-N 273.344 1.378 0 50 CDAA CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc(CCO)cc2)C1 294416965 WQNZQFGLXUFWOF-HUUCEWRRSA-N 297.420 1.989 0 50 CDAA COCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCC1 65381455 PWTBFFFZJXOLED-UONOGXRCSA-N 275.348 1.578 0 50 CDAA CC(C)C[C@@H](N)C(=O)N(Cc1cnn(C)c1)C(C)C 71405654 VSXWLEZUGKPOGU-CYBMUJFWSA-N 266.389 1.531 0 50 CDAA O=C(NCCN1CCCc2ccccc21)[C@H]1C=CCN1 534637901 NVSPGLKYXIHWKP-CQSZACIVSA-N 271.364 1.083 0 50 CDAA COC1CC(C(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)C1 630210774 MZCGMTTUUFEEMW-HHTLKZDDSA-N 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824437863 CXHIWCIRBCZZCG-UHFFFAOYSA-N 271.320 1.562 0 50 CDAA O=C(NCC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1nc[nH]c2nccc1-2 926941966 KPYDNSZQKJMTLZ-JBLDHEPKSA-N 298.346 1.645 0 50 CDAA O=C(CCc1cnccn1)N1CCCCC[C@@H]1CO 828710910 YTOQAOPQFKSDSY-CYBMUJFWSA-N 263.341 1.173 0 50 CDAA OC[C@H]1C=C[C@@H](Nc2ncnc(-c3ccccc3)n2)C1 1119348534 BYUMYEDAGZSWKY-WCQYABFASA-N 268.320 1.888 0 50 CDAA O=C(CCNC1CC1)NC[C@H](O)c1ccc(F)cc1 848395393 FOLHXNUWNLWDPB-ZDUSSCGKSA-N 266.316 1.117 0 50 CDAA CC(C)CO[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 236635785 FLDSFZRYGAOSTG-VXGBXAGGSA-N 256.390 1.633 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H](C)c2nc[nH]n2)cc1C 128909686 LYEYXKUDAZAXKC-JTQLQIEISA-N 280.353 1.461 0 50 CDAA CNC1CCN(S(=O)(=O)c2ccc(C)c(F)c2)CC1 237102161 DDRVRRZCVNOUKA-UHFFFAOYSA-N 286.372 1.507 0 50 CDAA CCS(=O)(=O)NCCN[C@@H]1CC[C@@H](C)C[C@H]1C 241515668 OGXCHLIVQXYDQI-IJLUTSLNSA-N 262.419 1.340 0 50 CDAA CC1(C)CNCC[C@@H]1NC(=O)COc1ccccc1 261569594 MXJVOMULBYYHIP-ZDUSSCGKSA-N 262.353 1.570 0 50 CDAA CC(C)n1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)N)n1 269188270 NYVYOWMQKYUZQK-WCQYABFASA-N 264.373 1.806 0 50 CDAA C[C@@H]1CN(Cc2ccccc2)CCS(=O)(=O)C1 192064180 DHNOHQCMQZUHAQ-GFCCVEGCSA-N 253.367 1.553 0 50 CDAA Cc1ncoc1C(=O)N(CC(=O)O)CC(C)(C)C 659781525 MHGFJWRIBDJRLF-UHFFFAOYSA-N 254.286 1.556 0 50 CDAA CCC(=O)Nc1nonc1-c1nc2ccccc2n1C 6160041 LWSBZNVXRUWOPX-UHFFFAOYSA-N 271.280 1.972 0 50 CDAA COc1cc(N=c2ncnc(SC)[nH]2)cc(OC)c1 2100542605 ANYZEAHBEPZRPB-UHFFFAOYSA-N 278.337 1.776 0 50 CDAA CC(C)(CO)C(C)(C)NC(=O)c1nc[nH]c2nccc1-2 2325757287 OKBBMDMAKWEPHO-UHFFFAOYSA-N 276.340 1.436 0 50 CDAA Cc1ccc(C(N)=O)cc1-c1cc(CCO)n(C)n1 2325773351 OCYIDUMWVGBSLB-UHFFFAOYSA-N 259.309 1.029 0 50 CDAA CCc1cnc(NC(=O)[C@H]2CNc3cnn(C)c3C2)s1 2325780098 HFMFMWZCKTWIJO-MRVPVSSYSA-N 291.380 1.662 0 50 CDAA CC1(C)C[C@@H](O)[C@@H](O)CN(c2nc3ccccc3[nH]2)C1 2325789775 LZHASRGTKQWKMV-OLZOCXBDSA-N 275.352 1.521 0 50 CDAA N[C@H](C(=O)NCc1cc(F)c(O)c(F)c1)[C@@H]1CC=CCC1 2325790989 DUOYVAZMJZIPLL-MFKMUULPSA-N 296.317 1.970 0 50 CDAA Cc1ccc([C@H]2CCN2C(=O)C2(C(N)=O)CCC2)cc1 2325810173 CEZFCTDCFTZWSR-CYBMUJFWSA-N 272.348 1.924 0 50 CDAA CC[C@@H](C)C(=O)C(=O)N[C@](C)(CC(C)C)C(N)=O 2325811354 RQAAYGQWXATKAL-NOZJJQNGSA-N 256.346 1.008 0 50 CDAA COc1ccc(C(=O)N(C)CCCF)cc1OCCO 925547848 XZFCLUNNEIRHMN-UHFFFAOYSA-N 285.315 1.498 0 50 CDAA N[C@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1 227330364 SFCHPSIIHGZWTN-HRCADAONSA-N 282.343 1.461 0 50 CDAA COc1ccc(OCC(=O)NCc2ccncc2)cc1 196372 CUTBAFUZRPIHIU-UHFFFAOYSA-N 272.304 1.785 0 50 CDAA COc1cc([C@@H](N)CC(=O)O)ccc1OC(C)C 266110 VJANWWLOYWLUTK-JTQLQIEISA-N 253.298 1.957 0 50 CDAA biogenic O=c1c2ccccc2ncn1CC[n+]1ccccc1 389296 IDTGSDITMJCSRH-UHFFFAOYSA-N 252.297 1.384 0 50 CDAA O=c1[nH]c2ccc(NS(=O)(=O)c3cccs3)cc2[nH]1 1062037 DEHDKMBVFTXAAT-UHFFFAOYSA-N 295.345 1.719 0 50 CDAA COc1ccc(Br)cc1CNCCO 2846546 WVJJXAYLVXGPHO-UHFFFAOYSA-N 260.131 1.540 0 50 CDAA Cn1[nH]c(=Nc2cccc(-n3cccn3)c2)ccc1=O 2356164341 PFRLAVJIRZFRFL-UHFFFAOYSA-N 267.292 1.132 0 50 CDAA CCOC(=O)c1c(N)sc2c1CCN(C(C)=O)C2 4194964 ZBZSPXFRUVXRKH-UHFFFAOYSA-N 268.338 1.412 0 50 CDAA CCCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 6702629 ZLPUUPLLOPQAEH-UHFFFAOYSA-N 290.363 1.813 0 50 CDAA COc1ccc(Nc2nc(=O)cn[nH]2)cc1Cl 8738868 MFRIJPRETUZGSR-UHFFFAOYSA-N 252.661 1.571 0 50 CDAA COC(=O)c1ccc(Nc2nc(=O)c(C)n[nH]2)cc1 8741253 UWPSGMGOFAWSAP-UHFFFAOYSA-N 260.253 1.004 0 50 CDAA Cc1cc(C)n(CCC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1 222034785 VLKVGEYKTIZUIV-GJZGRUSLSA-N 290.411 1.633 0 50 CDAA CO[C@@H]1CC[C@@H]2OCCN(C[C@H]3CCCCO3)[C@H]2C1 246596525 MPHNQPNMJZTTOF-KBXIAJHMSA-N 269.385 1.824 0 50 CDAA C[C@@H](CCc1ccccc1)NC(=O)CN1CCOCC1 22698216 AOSZLIVBFDVXMZ-AWEZNQCLSA-N 276.380 1.456 0 50 CDAA COc1ccc(S(=O)(=O)Nc2nncs2)cc1 380459 ZYHVYCQAGFWSHS-UHFFFAOYSA-N 271.323 1.348 0 50 CDAA Cn1c(CCCNC(=O)c2cc(N)[nH]n2)nc2ccccc21 219297401 OHRSVYAKVYTXRU-UHFFFAOYSA-N 298.350 1.241 0 50 CDAA CC(=O)NCCCOC(=O)C[C@@H]1OCCc2ccsc21 170621124 IIILLQQIQFWCSO-LBPRGKRZSA-N 297.376 1.821 0 50 CDAA O=C1CNCCN1c1ccc(OC(F)(F)F)cc1 71613095 JYNKRDWMWPAGPE-UHFFFAOYSA-N 260.215 1.521 0 50 CDAA O=C(NC1(c2ccccc2)CCC1)[C@]1(F)CCNC1 253432205 JEUMUEQRSPYCAZ-AWEZNQCLSA-N 262.328 1.884 0 50 CDAA Cc1occc1C(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 216068357 XDWZTLFYQITMRK-UHFFFAOYSA-N 297.318 1.900 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(c2ncc(Cl)cn2)CCO1 328632206 LDPRODWZIWOPLI-CYBMUJFWSA-N 296.802 1.677 0 50 CDAA CC[C@H](CC(F)(F)F)N1C(=O)N[C@@H](CC(=O)OC)C1=O 431717647 ZXFZLTNOCBMCLC-RQJHMYQMSA-N 296.245 1.201 0 50 CDAA CC[C@H]1CCCCN1C(=O)NCc1nc2ncccn2n1 334123259 NCONVRZJDBDWMD-NSHDSACASA-N 288.355 1.598 0 50 CDAA O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@H]1CC12CCOCC2 365832803 OZVCRJNYQBFPTC-SNVBAGLBSA-N 299.334 1.622 0 50 CDAA O=C(Cn1cnc2ccccc21)N[C@H]1C[C@@H]2OCC[C@H]12 219855994 IGBJMQBBSQIXGN-OSMZGAPFSA-N 271.320 1.330 0 50 CDAA CCOc1cccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 334633034 GHPGVNBKTATADQ-DZGCQCFKSA-N 274.364 1.861 0 50 CDAA COCCN(Cc1ccsc1)C(=O)C[C@H]1CCNC1 216493867 XYLBXHSLAFCDKM-GFCCVEGCSA-N 282.409 1.723 0 50 CDAA CC[C@@H](N)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 129786641 SMXYQUFXRLNLPV-HUUCEWRRSA-N 294.370 1.835 0 50 CDAA C[C@H](C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1)[C@@H](C)S(C)(=O)=O 333194647 TTWADTCFWPUWDI-GZZJDILISA-N 299.436 1.703 0 50 CDAA COC[C@H]1CN(CCCc2cnccc2C)CCO1 377544274 UIYOOSJMPPMMAD-OAHLLOKOSA-N 264.369 1.670 0 50 CDAA Cc1nn(C)cc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 335695624 DNJYKIIJGFLXAL-GFCCVEGCSA-N 292.383 1.057 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccc(-n2cncn2)cc1 237384804 LUUBELYAWLAXTP-DOMZBBRYSA-N 299.378 1.609 0 50 CDAA O=C(N[C@H]1COCc2ccccc21)N1CCOCC1 333889030 GNAZEMPMMUSKCK-ZDUSSCGKSA-N 262.309 1.300 0 50 CDAA Cc1cnn([C@@H]2CCN(C(=O)c3c[nH]nc3C3CC3)C2)c1 336565675 KIYFBHVZHLNLON-GFCCVEGCSA-N 285.351 1.879 0 50 CDAA C[C@@]1(C(=O)N2CCC[C@H](OCC3CC3)C2)CCC(=O)NC1 239619564 BFNHPGPLLACCIF-XJKSGUPXSA-N 294.395 1.320 0 50 CDAA C[C@H](CC(=O)O)NC(=O)CO[C@@H]1CCCC[C@H]1C 241644264 PPOZGLSPRPWAQB-GMTAPVOTSA-N 257.330 1.561 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccccc1C 222271771 LNTMKYIHANAEBA-ABFRBSLYSA-N 289.375 1.704 0 50 CDAA Cc1cc(C)n(CC(=O)NCCc2ccc(C)o2)c(=O)n1 220487297 JUXHYOVMIJITQG-UHFFFAOYSA-N 289.335 1.120 0 50 CDAA COc1nccc(NC(=O)N2CCC[C@H](OC)C2)n1 282762522 WBCFFVIZSQVQIU-VIFPVBQESA-N 266.301 1.128 0 50 CDAA CN1CCN(C[C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)CC1 221299103 WPYWKHZBPADYHS-AWEZNQCLSA-N 290.411 1.114 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccco2)C1 286247044 DXBMFSHBMDAFNW-STQMWFEESA-N 278.352 1.605 0 50 CDAA Cc1c(F)c(Br)nc2c1OCC(=O)N2 220298282 DJAOHLFAPSUBOU-UHFFFAOYSA-N 261.050 1.623 0 50 CDAA Cc1c(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)ccn1C 426581049 WHOWOSDDDJLTLP-HNNXBMFYSA-N 291.351 1.438 0 50 CDAA CC1(C)CNC(=O)c2nc(-c3cc(C4CC4)[nH]n3)[nH]c2C1 95370872 VQGSZLCVOXQKJV-UHFFFAOYSA-N 285.351 1.989 0 50 CDAA CCN1C[C@H](C(=O)NCCSc2ccccn2)CC1=O 95376219 VWPGEHMRPCZOOR-LLVKDONJSA-N 293.392 1.158 0 50 CDAA CC1(C)CCC[C@]1(O)CNC(=O)c1ccnn1C(F)F 615349470 QOZDDLUGWBSFKM-ZDUSSCGKSA-N 287.310 1.949 0 50 CDAA Cc1cnn([C@@H](C)c2nc(-c3ccc(C)nn3)no2)c1 95503953 BJOHJGDFIUXTBI-JTQLQIEISA-N 270.296 1.949 0 50 CDAA N[C@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@@H]1C1CC1 91586212 VMILYJCLGHSDIH-NEPJUHHUSA-N 282.775 1.122 0 50 CDAA COCc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)o1 91808447 AGPLLNMGIGONLX-NEPJUHHUSA-N 264.325 1.235 0 50 CDAA O=C(CCc1nc([C@H]2CCOC2)no1)N1CCCCCC1 96139903 HOMXKWZTIRPBQS-LBPRGKRZSA-N 293.367 1.909 0 50 CDAA COc1ccc(CCC(=O)N2CC[C@@H](CN)C2)cc1F 178526351 ONDHPENOJOXNOV-LBPRGKRZSA-N 280.343 1.574 0 50 CDAA Cc1cc(C(F)(F)F)cc(N2CC[C@@](C)(O)[C@@H](O)C2)n1 96148768 GIINBOCMFYYXJA-CMPLNLGQSA-N 290.285 1.731 0 50 CDAA COCCN1CC[C@H](OC(C)=O)[C@H]2CCCC[C@H]21 245254847 COHAZZNQVVNWKS-MJBXVCDLSA-N 255.358 1.829 0 50 CDAA O=C(NCCCOc1cccnc1)c1n[nH]c2c1CCC2 244778729 PVKVGOCVZULPCN-UHFFFAOYSA-N 286.335 1.492 0 50 CDAA COCc1nc(CN2CCC[C@H]2c2nc(C)no2)no1 244778642 PUEKDTSMHOMOQT-VIFPVBQESA-N 279.300 1.245 0 50 CDAA O=C(C1CCC1)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 245338976 PSYOPYDXKSXVJE-AEGPPILISA-N 290.407 1.894 0 50 CDAA Cc1nnsc1CN1CCC[C@H]1C(=O)N1CCCCC1 244858464 VLPUIGVJQWGIJB-LBPRGKRZSA-N 294.424 1.823 0 50 CDAA O=C(CN1CCCCCCC1)NCCc1cnccn1 243915027 BLWDMPZEEJLVTO-UHFFFAOYSA-N 276.384 1.401 0 50 CDAA O=C1C=C(Nc2ccc(Cl)c(Cn3cncn3)c2)CN1 524734165 DTRLZFBWXJTQLW-UHFFFAOYSA-N 289.726 1.405 0 50 CDAA N=c1[nH]c(=N)[nH]c(=NC[C@@H]2CCCC[C@H]2c2ccccc2)[nH]1 624261465 SPZYQFSIRNMFCM-STQMWFEESA-N 298.394 1.505 0 50 CDAA CC(C)[C@@H](NC(=O)c1cncn1C)c1ccccn1 534646522 YGAIIFHPUHBBEN-CYBMUJFWSA-N 258.325 1.942 0 50 CDAA CCN1C[C@H](NC(=O)c2ccsc2)[C@@H](OC)C1 534645961 CDAWFOUATUPWAD-QWRGUYRKSA-N 254.355 1.197 0 50 CDAA CCn1cnnc1[C@H](C)NC(=O)c1ccnc(OC)c1 584891338 HRPAMXBNCAWLMU-VIFPVBQESA-N 275.312 1.193 0 50 CDAA COc1ncc(CN(C)Cc2cnc3ccccn23)cn1 824852100 UGYGQLUNRGHFGC-UHFFFAOYSA-N 283.335 1.765 0 50 CDAA Cc1nc(SCCNC(=O)[C@@H](C)n2cccc2)n[nH]1 822284959 NPLFHSXCRSDZEW-SECBINFHSA-N 279.369 1.384 0 50 CDAA COc1ccc([C@H](C)NC(=O)CCS(C)(=O)=O)cc1C 830415756 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CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@@H](N)C1 245418549 GPAZVHSRZKTBAT-BFHYXJOUSA-N 267.417 1.447 0 50 CDAA COc1cc(CCNC(=O)[C@H]2NCC23CCCC3)ccn1 1615544300 ALCJNUOWRPTMSK-CQSZACIVSA-N 289.379 1.281 0 50 CDAA COc1ccc([C@H]2C[C@@H]2C(=O)N2CCn3cnnc3C2)cc1 1615556912 JYKYYAJPFBIPSL-KGLIPLIRSA-N 298.346 1.433 0 50 CDAA O=C(NN1CCC(O)CC1)c1cc(F)c(Cl)cc1F 1615587378 ZUQUIFADZHKIKS-UHFFFAOYSA-N 290.697 1.720 0 50 CDAA Cc1noc([C@@H](C)N2CCN(CC(C)(F)F)CC2)n1 1615623179 LXBDDKSNBCOSDU-SECBINFHSA-N 274.315 1.712 0 50 CDAA Cc1cc(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)no1 1615738324 WLRSVEQQKWVSOB-JSGCOSHPSA-N 287.319 1.366 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)c1nc(Cl)n(C)n1 1857694669 UEUGKZWABVKNBA-SECBINFHSA-N 293.758 1.533 0 50 CDAA CC(=O)N[C@H]1CN(c2ncccn2)C[C@@H]1c1ccc(C)o1 212723596 KYOBDVNGLFAGKF-STQMWFEESA-N 286.335 1.487 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)Nc2cn(C)nc2C)c1 1529138439 ALUNIGHOHFFHBZ-UHFFFAOYSA-N 289.291 1.688 0 50 CDAA CCn1ncc(C)c1NC(=O)CCn1c(C)cccc1=O 1529153484 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YGXQBALCQCKHAB-AWEZNQCLSA-N 288.347 1.813 0 50 CDAA O=C(c1ccc2ccccc2c1)C12CN3CN(CN(C3)C1)C2 19312965 LWEQLOASKXOMEK-UHFFFAOYSA-N 293.370 1.828 0 50 CDAA Cc1ccccc1CCc1nc(CS(C)(=O)=O)no1 19795277 JQRDQMDBDUKKOC-UHFFFAOYSA-N 280.349 1.708 0 50 CDAA C[C@@H](CN1CCOCC1)OC(=O)c1cccc(F)c1 19885408 WFUKUFGXOMHYBC-NSHDSACASA-N 267.300 1.703 0 50 CDAA Cn1nccc1CCC(=O)N1CCO[C@@H](c2ccccc2)C1 163827981 AVMPAQCQCLGWAL-MRXNPFEDSA-N 299.374 1.953 0 50 CDAA O=C(Cc1cnccn1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 223141045 TXZLZHFCMSQSDZ-GHJWDPDVSA-N 298.346 1.043 0 50 CDAA O=S(=O)(NS(=O)(=O)c1ccccc1)c1ccccc1 280904 OVQABVAKPIYHIG-UHFFFAOYSA-N 297.357 1.354 0 50 CDAA in-vitro CC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O 2560350 JLNUTWJSFBIAAS-ZDUSSCGKSA-N 279.336 1.996 0 50 CDAA in-vitro COc1ccc(C)cc1C[S@](=O)Cc1nnc(C)n1C 123538052 ZGHCPAKGWGDSKF-HXUWFJFHSA-N 293.392 1.889 0 50 CDAA CCC[C@H](N)CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 124919594 OTGLZHXRWPQFTE-PWSUYJOCSA-N 298.408 1.416 0 50 CDAA Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCC(=O)N2C)[nH][nH]1 334304128 CGQAWUCSGUHFFR-CYBMUJFWSA-N 298.346 1.366 0 50 CDAA O=C(NCCCn1ccnc1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 252670656 LGZCLEUADQVZBY-XDQVBPFNSA-N 274.368 1.713 0 50 CDAA Cc1ccc(CC(=O)N2CCCC[C@H]2C(=O)O)cn1 158492664 XMECEXQFQVASOZ-LBPRGKRZSA-N 262.309 1.398 0 50 CDAA COc1ccc([C@H](C)C(=O)N2CCOC[C@@H]2C(=O)O)cc1 262526002 RSFVQVPTMLPDBZ-GXFFZTMASA-N 293.319 1.111 0 50 CDAA CCC1(CNS(=O)(=O)CC[C@H]2CCOC2=O)CC1 585115767 RGRAMQWLNSCQLF-SNVBAGLBSA-N 275.370 1.049 0 50 CDAA CS(=O)(=O)N1CCCn2nc(-c3ccccc3)nc21 903660054 JKJYPNJGOLGWLJ-UHFFFAOYSA-N 278.337 1.115 0 50 CDAA C[C@@H](O)CN(C)C(=O)[C@H](O)C1CCCCCCC1 820002091 HUBXTGLZNUPUEB-DGCLKSJQSA-N 257.374 1.547 0 50 CDAA C=CC(=O)N[C@@H]1CCCS(=O)(=O)c2ccccc21 820437527 QYVXUQJOUWSFBL-LLVKDONJSA-N 265.334 1.597 0 50 CDAA Cc1ccc(C(=O)N2CCO[C@H](C(=O)O)C2)c(Cl)c1C 821063893 HIHVCDLQBNDVFT-NSHDSACASA-N 297.738 1.882 0 50 CDAA O=C(c1cc(=O)cc[nH]1)N(CC(F)F)CC1CCC1 935137351 WAULZQVVIFCTAQ-UHFFFAOYSA-N 270.279 1.882 0 50 CDAA Cc1cc(-c2noc([C@H]3CNC[C@@H](C)O3)n2)c(C)o1 854152847 DQEKLCPBHQURHP-LDYMZIIASA-N 263.297 1.996 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CCC(=O)NC2)C1 1857783601 BDJZHHPJYZEBNA-AWEZNQCLSA-N 268.357 1.914 0 50 CDAA O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](c2nn[nH]n2)C1 952884713 KJNAIYVTSQTQHP-SNVBAGLBSA-N 282.307 1.311 0 50 CDAA Cc1nc(C(C)C)ccc1CN(CCO)S(C)(=O)=O 952881157 YNJXZMYNLYOYTA-UHFFFAOYSA-N 286.397 1.267 0 50 CDAA CCC1CCC(CNC(=O)[C@@]2(N)CC[C@@H](O)C2)CC1 952884282 XTXQQAOIFVBRIA-UJFKTDLFSA-N 268.401 1.561 0 50 CDAA C[C@@H]1CCCN(C(=O)COc2ccccc2)[C@H]1C(=O)O 235309057 RCHYSPZMRNVKEQ-BXUZGUMPSA-N 277.320 1.777 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(c3cc(C4CCC4)ncn3)CC[C@H]21 1875270716 BJNZGNLOPFFEEY-UHIISALHSA-N 273.336 1.901 0 50 CDAA C1=C[C@H]2C[C@@](NCc3nnc4n3CCCCC4)(C1)CO2 1875292453 IQLFRYNCIIDELN-WFASDCNBSA-N 274.368 1.582 0 50 CDAA COCc1nc(=NC(=O)N2CC(C)(C)[C@@H]2C(C)C)o[nH]1 1875296657 HKRGYHAMVNBVQU-JTQLQIEISA-N 282.344 1.536 0 50 CDAA CC[C@@]1(C)CC[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C)O1 1875294788 XJHVEIHKAOEZBA-GWCFXTLKSA-N 291.413 1.826 0 50 CDAA CC(C)c1nc(S(=O)(=O)N(C)c2ccnn2C)cn1C 1875280190 YZTYIVFKDIHODF-UHFFFAOYSA-N 297.384 1.102 0 50 CDAA C=CC(=O)N1CCC(C(=O)NCc2ccoc2)CC1 1875369213 ASISUGGVZZMIQN-UHFFFAOYSA-N 262.309 1.320 0 50 CDAA CCS(=O)(=O)/C=C/C(=O)NC[C@@H](C)c1ccccc1 1875381645 CABCIOHACPJJGP-BZYZDCJZSA-N 281.377 1.855 0 50 CDAA C=CC(=O)NCCN(C)C(=O)c1cc(Cl)cc(OC)c1 1875383649 BKHKRASPSJFEAD-UHFFFAOYSA-N 296.754 1.723 0 50 CDAA C[C@H]1CN(Cc2coc(C(C)(C)C)n2)S(=O)(=O)C1 877883387 OATGMOJVFVQTKR-VIFPVBQESA-N 272.370 1.754 0 50 CDAA CCO[C@]1(c2nnc(-c3oc(C)nc3C)o2)CCOC1 886082278 RTBUPZMBUMHIET-CYBMUJFWSA-N 279.296 1.994 0 50 CDAA O=C1CCc2cc(S(=O)(=O)Nc3cnoc3)ccc2N1 1772824904 HBGYRHIGTXWOOG-UHFFFAOYSA-N 293.304 1.360 0 50 CDAA Cc1nc2n(n1)C[C@H](C(=O)N(C)Cc1ccc[nH]1)CC2 1775987938 UFUBPPVKCDGBTF-LLVKDONJSA-N 273.340 1.136 0 50 CDAA C=CC(=O)N1CC[C@@H]2C[C@@H](CC(=O)O)CC[C@H]2C1 1776004695 OMUKDLSJKFIOTL-TUAOUCFPSA-N 251.326 1.912 0 50 CDAA O=C1NCc2ccc(C(=O)N3CCC[C@H](F)C3)cc2N1 1776006143 MWYPWTFQVQPGQM-NSHDSACASA-N 277.299 1.896 0 50 CDAA CS(=O)(=O)N1CCC[C@@H](NC[C@@H]2C[C@H]3C=C[C@H]2C3)C1 136361471 WCELDGIEYMXCDH-XDQVBPFNSA-N 284.425 1.212 0 50 CDAA O=C(O)CCNC(=O)c1cc2c(s1)CCOC2 262102775 JFVUXHVRYWHTAK-UHFFFAOYSA-N 255.295 1.025 0 50 CDAA O=C(c1cc(Cl)c[nH]1)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1 334591562 XMBCTIXJRUSASV-ISVAXAHUSA-N 282.727 1.995 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]1CNC[C@H]1CCCO1 724982683 QKRWOWAPMXFUKS-NWDGAFQWSA-N 270.373 1.764 0 50 CDAA CNC(=O)[C@@H]1CCN(c2nc(C)c(C#N)cc2Cl)C1 398571730 POFCXJHSVMHNMX-SECBINFHSA-N 278.743 1.487 0 50 CDAA Cn1nnc([C@H]2CN(C/C=C/c3ccccc3)CCO2)n1 2100534444 IMDHTGRTQZLIAX-LHRNQBEKSA-N 285.351 1.297 0 50 CDAA Cc1ccccc1N1C[C@H](C(=O)NC(C)C)CC1=O 35071 JHLPZVPQBIYUFG-GFCCVEGCSA-N 260.337 1.873 0 50 CDAA CC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1 86822 MJPYWRZFACCVDJ-UHFFFAOYSA-N 290.348 1.749 0 50 CDAA COc1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 102144 FGHXHGXNKZPYCG-AWEZNQCLSA-N 288.347 1.813 0 50 CDAA NC(=O)CCOC1CCN(Cc2ccccc2)CC1 161461 RKOOIPLMPUSYSJ-UHFFFAOYSA-N 262.353 1.543 0 50 CDAA C[C@@H](C(=O)NCc1ccco1)N1C(=O)c2ccccc2C1=O 187180 LUKUGXDFGYOUIB-JTQLQIEISA-N 298.298 1.581 0 50 CDAA Nn1cnc2c([nH]c3ccc(Br)cc32)c1=O 327005 OHAXPTNNKWYRGQ-UHFFFAOYSA-N 279.097 1.354 0 50 CDAA CCS(=O)(=O)NCCc1ccc(OC)c(OC)c1 473827 VURAYTUBJCMHNH-UHFFFAOYSA-N 273.354 1.186 0 50 CDAA COn1c(=O)c(-c2ccc(F)cc2)[n+]([O-])c2ccccc21 545807 RVBHWHOMKAYGIY-UHFFFAOYSA-N 286.262 1.499 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OC(C)(C)C 2390940 RAUQRYTYJIYLTF-QMMMGPOBSA-N 289.328 1.696 0 50 CDAA in-vitro COc1cccc(NC(=O)C(=O)NCc2ccco2)c1 2898258 XIJLOHRHLACUKS-UHFFFAOYSA-N 274.276 1.543 0 50 CDAA CC[C@@H](C)NC(=O)CN1C(=O)COc2ccc(C)cc21 3907222 SSOMBCADQHEBQB-LLVKDONJSA-N 276.336 1.635 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1 6697317 GMMDKYGECFZUTJ-SNVBAGLBSA-N 282.365 1.206 0 50 CDAA CC(C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10323958 MXDOOPMAUYJXCB-JTQLQIEISA-N 296.392 1.535 0 50 CDAA CCOC(=O)[C@H]1C(=O)CC(=O)C[C@H]1CCC(C)(C)OC 8467237 NUTOEECARYXNPK-ZWNOBZJWSA-N 284.352 1.919 0 50 CDAA CCOC(=O)c1cnc2cc(-c3ccco3)nn2c1O 8732692 DGKGOXRKXVDWJW-UHFFFAOYSA-N 273.248 1.872 0 50 CDAA O=C1[C@H]2CC3C[C@H]1CC(C(=O)N1CCOCC1)(C3)C2 100305030 LJEPZBYNNOTFAF-WVIDZAQPSA-N 263.337 1.241 0 50 CDAA COc1ccc2ccccc2c1CN(CCO)CCO 23282237 YPPQXIZQPTVNSF-UHFFFAOYSA-N 275.348 1.635 0 50 CDAA COc1ccc(C(=O)NCCNc2ccc(C)nn2)cc1 57791689 PFFHXUYTGACNDO-UHFFFAOYSA-N 286.335 1.636 0 50 CDAA NNC(=S)Nc1ccc(F)c(Br)c1 67800277 BIGJIMWPOHSZQY-UHFFFAOYSA-N 264.123 1.748 0 50 CDAA CCOC(=O)N1CCC(N(CC)CCN(C)C)CC1 22455517 KZWVXTYTDDUNGP-UHFFFAOYSA-N 271.405 1.491 0 50 CDAA CC(C)(c1nc(-c2ncc[nH]2)no1)S(=O)(=O)C1CC1 329015817 QIRSKYSDQYVAQG-UHFFFAOYSA-N 282.325 1.272 0 50 CDAA FC(F)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)o1 330337163 TUZBDWCMHYSCMP-SECBINFHSA-N 288.298 1.166 0 50 CDAA O=C(Nc1ccncc1)C1(n2cnnn2)CCCCC1 36366082 UMUGDNRLMUDOGO-UHFFFAOYSA-N 272.312 1.366 0 50 CDAA COCC(C)(C)NC(=O)c1csc2cncn12 331364948 BVYODCVQQFDNES-UHFFFAOYSA-N 253.327 1.551 0 50 CDAA NC(=O)[C@H]1CCCCN1C(=O)CCc1ccsc1 125543321 UGDPUBDDQNBYJD-LLVKDONJSA-N 266.366 1.547 0 50 CDAA Cc1ccn(C)c(=O)c1NS(=O)(=O)c1c(C)noc1C 126417154 ZQOJTCPGXBPTAY-UHFFFAOYSA-N 297.336 1.099 0 50 CDAA N[C@@H]1CC[C@@H](NC(=O)c2ccc(SCCO)cc2)C1 215879651 OAXPWFANDTXHHT-VXGBXAGGSA-N 280.393 1.381 0 50 CDAA CC(C)[C@H](NC(=O)c1cccc(-n2cncn2)c1)C(=O)O 236774957 YPBVLTZQVGYWER-LBPRGKRZSA-N 288.307 1.106 0 50 CDAA CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CC[C@@H](C)O1 237079581 OTMMATUDRJDRDH-AGIUHOORSA-N 254.374 1.545 0 50 CDAA Cc1nnc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)s1 333539886 NRNGSPZLEUFJKF-QSFUFRPTSA-N 289.360 1.544 0 50 CDAA COc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)c(C)c1 237326991 DFJKPJPEVPNQLU-AAEUAGOBSA-N 298.408 1.409 0 50 CDAA C[C@H]1c2ccccc2CCN1C(=O)CNC[C@H]1CCCO1 237383713 RKTHTXVRCVFLTL-DZGCQCFKSA-N 288.391 1.901 0 50 CDAA CNCC(=O)NC[C@H]1CCN(c2ccccc2C)C1 71662293 SPHKTAPPNGIYTA-CYBMUJFWSA-N 261.369 1.157 0 50 CDAA O=C(c1cn[nH]c1)N1CCC[C@@H](c2ccncn2)C1 215335019 QTFSWYYJIKXSNY-SNVBAGLBSA-N 257.297 1.220 0 50 CDAA CC(C)(C)c1cc(CNC(=O)c2ccc(O)cn2)[nH]n1 216256625 BCZYXBCZXSZWRL-UHFFFAOYSA-N 274.324 1.738 0 50 CDAA CCN1CN(C(=O)N[C@H](C)c2ncc(C)s2)CC1=O 241383184 MTCVPVNDVBNZOS-SECBINFHSA-N 282.369 1.344 0 50 CDAA CO[C@@H]1CCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)[C@@H](CN)C1 242292506 YMWFGDNPQADZJC-YIYPIFLZSA-N 284.400 1.299 0 50 CDAA Cc1cc(=O)c(C(=O)NCCSC(F)(F)F)c[nH]1 219506808 DYZSQWXNICDWFY-UHFFFAOYSA-N 280.271 1.666 0 50 CDAA OC[C@H]1CCCN1c1cc(NC2CCOCC2)ncn1 174911175 IONOGTHEAWVDBH-GFCCVEGCSA-N 278.356 1.029 0 50 CDAA CCOC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1 32779089 MLNBSGRVCKYBPW-UHFFFAOYSA-N 284.747 1.492 0 50 CDAA COc1cc2cc(C(=O)NCCC(=O)O)[nH]c2cc1OC 35686346 OTPGQHWZQNRGSF-UHFFFAOYSA-N 292.291 1.390 0 50 CDAA CCn1cc(CCN2C[C@H](OC)C[C@H]2c2ncn[nH]2)cn1 285966661 DMMHXDAFGRUXRO-OLZOCXBDSA-N 290.371 1.026 0 50 CDAA Cc1ccc(-n2nccc2NC(=O)[C@H]2CCCCO2)nn1 133972683 QZWXUIRTNSFDSN-LLVKDONJSA-N 287.323 1.478 0 50 CDAA Cc1cc(C(=O)NCCCc2ccncc2)cc(=O)[nH]1 216238128 ZSVMXJIOLPGDRZ-UHFFFAOYSA-N 271.320 1.441 0 50 CDAA Cc1ncc(CN2CCC3(CC2)CC(=O)N(C)C3)cn1 72447378 AOJQZFDRTQONOJ-UHFFFAOYSA-N 274.368 1.229 0 50 CDAA CO[C@@H]1CC[C@H](NC(=O)c2cccc(OCC(=O)O)c2)C1 263575127 OMTWYDKJRSRJMP-NWDGAFQWSA-N 293.319 1.447 0 50 CDAA CC[C@H](C)[C@@H](O)C(=O)N1CCC[C@H]1c1ccc(O)nn1 530078330 FRHVEFCSKMSCNQ-XHVZSJERSA-N 279.340 1.253 0 50 CDAA C[C@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530079208 KKTBTHQAMLVXSS-WCQYABFASA-N 290.367 1.188 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 178268137 IIJRJRUJKOFPBF-SECBINFHSA-N 285.702 1.955 0 50 CDAA COc1cccc(OC)c1CC(=O)N1CC[C@@H](CN)C1 178564801 LCQQKOKRVNBGBU-NSHDSACASA-N 278.352 1.054 0 50 CDAA COCCN(Cc1ccccc1F)C(=O)[C@H](C)N(C)C 426523321 BXFUSVCBAQAREG-LBPRGKRZSA-N 282.359 1.751 0 50 CDAA Cc1ccc(N[C@H]2CCNC2=O)cc1OC(F)F 179046460 SPTDVRFEQZPLJQ-VIFPVBQESA-N 256.252 1.897 0 50 CDAA CNCc1nnc(SCc2cccc(OC)c2)n1C 426430748 OIHDHHWHPWMFIW-UHFFFAOYSA-N 278.381 1.835 0 50 CDAA c1nc2[nH][nH]cc-2c(=NCCc2cnc(C3CC3)nc2)n1 533680233 XWVLQELTAFNSFW-UHFFFAOYSA-N 281.323 1.048 0 50 CDAA COc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4C[C@H]2C[C@@H]43)c1 239165318 NXUUHKMQIPGSQF-YGEXGZRRSA-N 287.315 1.831 0 50 CDAA CN1Cc2ccccc2C[C@@H]1C(=O)NCCc1c[nH]cn1 95368325 MAULNXPKWLLDCH-OAHLLOKOSA-N 284.363 1.125 0 50 CDAA Cc1cc(CNC(=O)c2ccc3nccnc3c2)n(C)n1 97797732 MQEDZERWXNTXIM-UHFFFAOYSA-N 281.319 1.602 0 50 CDAA CCc1c(C)nc(N)nc1NCCSc1nncn1C 91643972 UJWZXAXRKLTNDF-UHFFFAOYSA-N 293.400 1.262 0 50 CDAA CC(C)CN1CC2(CCN(c3cnccn3)CC2)CC1=O 91664851 USOGJPVEEFPIOK-UHFFFAOYSA-N 288.395 1.952 0 50 CDAA CC(=O)NCc1nc(C2CC2)nn1CC(F)(F)F 95384509 HWODDJYKHVUXOY-UHFFFAOYSA-N 262.235 1.354 0 50 CDAA CC(C)(C)c1ccc(-n2ncnc2COCC(N)=O)cc1 92061670 XYSAPHDBFDJUBU-UHFFFAOYSA-N 288.351 1.567 0 50 CDAA COc1cc(F)c(C(=O)N2CC[C@@H](N)C2)cc1OC 237297187 BDQPXOYHDUKGSB-MRVPVSSYSA-N 268.288 1.016 0 50 CDAA O=C(Nc1nnc(C(F)(F)F)s1)N[C@H]1C[C@@H](O)C1 296449243 VGUAHVSGTMNUNQ-ZXZARUISSA-N 282.247 1.202 0 50 CDAA CCc1ncc(C(=O)N2C[C@H]3CCC[C@@]3(CO)C2)cn1 95388231 HEALNIQUQGBDER-DOMZBBRYSA-N 275.352 1.274 0 50 CDAA CCc1nc(N2CCC3(CC2)OCCC[C@H]3O)ncc1C 91737759 HHPFSLFXXMHYCQ-CQSZACIVSA-N 291.395 1.858 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)[C@H](N2CCc3ccccc3CC2)C1 245281259 ALBKJDCBTBGXHD-XHSDSOJGSA-N 289.375 1.400 0 50 CDAA COc1nc(C(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)co1 627351570 WPMJFJPUMNJAGH-QWRGUYRKSA-N 280.324 1.713 0 50 CDAA COC[C@H](NC(=O)CCc1cnn(C)c1)c1ccccn1 534591351 OMCKURCXCGVSMY-AWEZNQCLSA-N 288.351 1.252 0 50 CDAA COc1ccc(F)cc1C(=O)N1CCC[C@@H](O)CC1 295050479 XVLGFYPJSNHJGX-LLVKDONJSA-N 267.300 1.821 0 50 CDAA c1ccc2c(c1)CC(N1CC[C@H]3[C@H](C1)OCc1cnnn13)C2 299800229 WFRVKMIGRJQXCJ-IRXDYDNUSA-N 296.374 1.591 0 50 CDAA COC(=O)c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 575362702 MTOYXZBAUPNUSC-UHFFFAOYSA-N 297.270 1.890 0 50 CDAA Cc1nc(N)nc(NCCN2CCC[C@@H](CO)C2)c1Cl 828711179 NGYZSOLDPQHTBH-SNVBAGLBSA-N 299.806 1.137 0 50 CDAA CC(C)[C@@H]1NC(=O)N(Cc2ccc3nonc3c2)C1=O 585137187 LPTOMMBSRARDEJ-NSHDSACASA-N 274.280 1.299 0 50 CDAA CCCCN=c1cc(C)nc(N2CCC[C@@H](CO)C2)[nH]1 631034175 OFJIPUHVTSENEQ-CYBMUJFWSA-N 278.400 1.628 0 50 CDAA CCc1cc(N2CCN(Cc3cnc(C)cn3)CC2)ncn1 670449821 JHWYLWZYNVNSIG-UHFFFAOYSA-N 298.394 1.460 0 50 CDAA CCc1nccn1C[C@@H](C)NCc1nncn1C(C)C 670450638 ZFSVDUJZTKNGGZ-GFCCVEGCSA-N 276.388 1.796 0 50 CDAA c1cn(CCCNC2CSCCSC2)nn1 1506417949 MNUJGXXTUFOWDH-UHFFFAOYSA-N 258.416 1.106 0 50 CDAA CCc1ccccc1NC(=O)Cn1cc2c(n1)CC[C@H](O)C2 1875268383 BMXBUJPWYXBRKW-AWEZNQCLSA-N 299.374 1.934 0 50 CDAA C[C@H](NCCc1cn(C)nn1)C1=Cc2ccccc2OC1 1875284979 XQFBMQIRPIEJQL-LBPRGKRZSA-N 284.363 1.812 0 50 CDAA N[C@@H](Cc1cc2ccccc2o1)c1nc(-c2nc[nH]n2)no1 1875357809 XTXRTSIPKZOZGC-JTQLQIEISA-N 296.290 1.843 0 50 CDAA Cc1ncsc1CC(=O)N=c1cc([C@H]2C[C@@H]2C)[nH][nH]1 1875322960 PUJGMEDVHXBMLR-CBAPKCEASA-N 276.365 1.901 0 50 CDAA COC[C@H]1COCCN1C(=O)c1ncn2ccc(C)cc12 886858454 AIRQDBYWHHIUFV-LBPRGKRZSA-N 289.335 1.130 0 50 CDAA Cc1ccc2ncc(CN[C@H]3C[C@@H](O)[C@@H]3n3cccn3)n2c1 888076201 HZPHGMOVGSXYQH-SQWLQELKSA-N 297.362 1.303 0 50 CDAA O=C1NCCC[C@H]1C(=O)Nc1cc2ccccc2cn1 1775993770 KEJFFCQIWIUXNZ-GFCCVEGCSA-N 269.304 1.700 0 50 CDAA O=C(OCc1ccccc1)N1CC[C@@H](O)[C@@H](F)C1 51971106 RKRKELORNFODMN-NWDGAFQWSA-N 253.273 1.728 0 50 CDAA in-vitro O=Cc1nc(Br)cnc1Br 83428711 AQLHAAMPLQHZRM-UHFFFAOYSA-N 265.892 1.814 0 50 CDAA in-vitro O[C@H](CN1CCOCC1)C12CC3CC(CC(C3)C1)C2 19707609 BABHMWLFTDIKCA-IBHBGHMQSA-N 265.397 1.896 0 50 CDAA CO[C@@H]1CNC[C@@H]1NC(=O)c1ccccc1C(F)(F)F 209339524 AUGHTEKCNYRFDI-WDEREUQCSA-N 288.269 1.422 0 50 CDAA CCc1cc(OC)ccc1CN1CCO[C@H](C(=O)O)C1 1573954949 SOGWZAARUUCFDZ-AWEZNQCLSA-N 279.336 1.543 0 50 CDAA O=C(c1cccc2nccn12)N1CCCC[C@@H]1c1nc[nH]n1 408473912 RPTBNXHGIOCCTI-LLVKDONJSA-N 296.334 1.820 0 50 CDAA CCCCCS(=O)(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 222303476 GTWPBCMDLOQUKW-QWHCGFSZSA-N 276.446 1.921 0 50 CDAA c1cc(-c2nc(-c3cnccn3)no2)cc(-n2cncn2)c1 225463118 HZCYWXAIRYCTBN-UHFFFAOYSA-N 291.274 1.774 0 50 CDAA Fc1cccnc1N1CCCN(Cc2cncnc2)CC1 225493812 YMRDRYHIZBXHIU-UHFFFAOYSA-N 287.342 1.723 0 50 CDAA CCN(C)[C@@H]1CCN(C(=O)CCNC(=O)OC(C)(C)C)C1 225556763 MNEDCEQHFHJNRZ-GFCCVEGCSA-N 299.415 1.454 0 50 CDAA c1[nH]nc2c1CCC[C@@H]2OCc1nnc2n1CCCC2 278302009 SLDFURSNNIUAOC-NSHDSACASA-N 273.340 1.932 0 50 CDAA CC[C@@H](NC(=O)N1CC(NC(C)=O)C1)c1ccc(C)cc1 189726850 QMSYSDAPMFTUEM-OAHLLOKOSA-N 289.379 1.976 0 50 CDAA Cc1nccn1CCCn1cc(CN2CCCC2)nn1 641149795 NDTWBADVBOLVAP-UHFFFAOYSA-N 274.372 1.469 0 50 CDAA NC(=O)c1cc(N(C[C@@H]2CCCO2)C2CCCC2)ncn1 641400504 PWYNREJVCNSRHU-LBPRGKRZSA-N 290.367 1.504 0 50 CDAA COc1ccc2c(c1)OCC[C@@H]2N=c1[nH]c(C(=O)O)co1 649390343 XXFZWKUULXQWFG-JTQLQIEISA-N 290.275 1.739 0 50 CDAA CNCc1n[nH]c(=O)n1-c1cc(Cl)cc(Cl)c1 65430446 PWMAWIUETIWHAU-UHFFFAOYSA-N 273.123 1.587 0 50 CDAA CCCn1nccc1C(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2 570584243 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NGWXRTUNTHJELI-UHFFFAOYSA-N 267.377 1.510 0 50 CDAA CNCc1nnc(NCC[C@@H]2CCCN3CCCC[C@H]23)o1 1772810859 PWAZPYVJJXLKTM-QWHCGFSZSA-N 293.415 1.856 0 50 CDAA Cc1nc(N)nc(N2C[C@@H]3CCCN3C(=O)[C@H]2C)c1Cl 1772708366 CEJSTNYBEQVOHR-BDAKNGLRSA-N 295.774 1.220 0 50 CDAA CCCSc1nnc(CN2CCOCC2)n1C 19525219 PPKBHBYMQVUYAM-UHFFFAOYSA-N 256.375 1.149 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1Cc1noc(-c2cccs2)n1 1857684305 HZTVEADEHDCBJF-RKDXNWHRSA-N 290.348 1.261 0 50 CDAA CC(C)n1c(CNC(=O)Cn2cncn2)nc2ccccc21 605394692 VWPXGSRQTWAJNO-UHFFFAOYSA-N 298.350 1.525 0 50 CDAA CN(C)CCn1ccc(=NC(=O)[C@H]2CC23CCCC3)[nH]1 531331144 HCHFLKSPKOSKLT-GFCCVEGCSA-N 276.384 1.385 0 50 CDAA CCc1ccccc1OCC(=O)NC1(C(=O)O)CCC1 237034357 GNUWPWFATYOACT-UHFFFAOYSA-N 277.320 1.751 0 50 CDAA O=c1c2ccc(Cl)cc2ncn1C[C@]1(O)CCCOC1 656694801 VNKRNAOKOXEQHC-CQSZACIVSA-N 294.738 1.591 0 50 CDAA CCNC(=O)c1sccc1[C@@H]1CN(C)CC[C@H]1O 250309582 SDYCTCPCMPPBCK-WDEREUQCSA-N 268.382 1.278 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)CCc1ccccc1 353215908 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745572863 JSSABNRXBHMESR-UHFFFAOYSA-N 276.296 1.302 0 50 CDAA COC(=O)[C@@H]1CCCN1C(=O)c1ccn2nccc2c1 1857726767 BHMKLDGBJHSJBR-LBPRGKRZSA-N 273.292 1.112 0 50 CDAA Nc1ccn2ncc(C(=O)N[C@@H]3CCC[C@H](F)C3)c2c1 1615553354 KMALRYWYKYLNOU-GXSJLCMTSA-N 276.315 1.927 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)c1ccnc(-c3ccccn3)n1)C2 1615545928 KUWXFGVTPGRMHL-ZBEGNZNMSA-N 295.346 1.102 0 50 CDAA CCc1cc(C(=O)N[C@@](C)(CO)C2CC2)ccc1O 1615582674 UXBBRZJELMDQBF-HNNXBMFYSA-N 263.337 1.845 0 50 CDAA CC(C)[C@@H](CO)NC(=O)c1ccc(N(C)C)c(C=O)c1 1615605404 LUJVAZMWMBPXPP-CYBMUJFWSA-N 278.352 1.312 0 50 CDAA C1CN(CC[C@@H]2COCCO2)CC2(C1)CCOCC2 1775981569 MDVIEMSTWHGUQK-CQSZACIVSA-N 269.385 1.685 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)c1ccncc1O 1506431464 LIUIDTXPFCEWRQ-UHFFFAOYSA-N 277.368 1.734 0 50 CDAA C[C@]1(C(=O)Nc2cnn3c2NCCC3)CCCO1 1506416026 GMLMXAHMISYNFA-GFCCVEGCSA-N 250.302 1.206 0 50 CDAA CN(Cc1n[nH]c2c1CCCCC2)CC1COCCOC1 1857693949 UFICBSMVRLBBJL-UHFFFAOYSA-N 293.411 1.773 0 50 CDAA COc1ccc(F)cc1-c1nc(C(=O)N(C)C)n[nH]1 1506401122 IBTYSQPKFRSIAE-UHFFFAOYSA-N 264.260 1.321 0 50 CDAA COCCn1ccnc1CN(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529185378 MBNHQYSQOFNRCK-NMWPEEMBSA-N 293.411 1.511 0 50 CDAA O=C(Cc1cn2c(n1)CCCC2)NOCC(F)F 845943387 DVEPKWWEWZWYCI-UHFFFAOYSA-N 259.256 1.075 0 50 CDAA CCCN1CCC[C@H]1CNC(=O)c1nccnc1C 614794739 XJIIGHVORGTNGN-LBPRGKRZSA-N 262.357 1.389 0 50 CDAA CC(C)OC[C@@H](C)N[C@@H](CO)Cc1ccccc1 242273491 YDBQGQPKXHUKQS-UKRRQHHQSA-N 251.370 1.993 0 50 CDAA CN(C)c1nc2c(c(NCc3cnn(C)c3)n1)CCCC2 1704298357 HTDWCFVTPGORCY-UHFFFAOYSA-N 286.383 1.767 0 50 CDAA Cc1[nH]nc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1Cl 1704302729 BWIAZNKDEQNSKC-OUAUKWLOSA-N 296.802 1.718 0 50 CDAA CS(=O)(=O)CCOc1ccc(NC(=O)C2CC2)cc1 584908232 MFIVHEUSRQVGCO-UHFFFAOYSA-N 283.349 1.459 0 50 CDAA O=C(CN1CCC[C@H]1c1ccco1)N1CCOCC1 116289837 TWUGODRCPLIHEY-LBPRGKRZSA-N 264.325 1.275 0 50 CDAA COc1ncc(Cl)c(N[C@H](C)C[S@@](C)=O)n1 164204561 KLOCOTZCONHHTQ-KXHHVGMCSA-N 263.750 1.318 0 50 CDAA COc1nc(NC[C@@H](c2ccco2)N(C)C)ncc1F 1772701422 MFXCIZFXMVFMIL-JTQLQIEISA-N 280.303 1.932 0 50 CDAA COCCC(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 12316083 VIYKBAKPOHOPAK-CYBMUJFWSA-N 282.384 1.320 0 50 CDAA CCCNC(=O)c1ccccc1OC1CCNCC1 12359707 LPOLZUPPWJORHK-UHFFFAOYSA-N 262.353 1.957 0 50 CDAA O=c1[nH]c2cc(Br)c(F)c(F)c2[nH]c1=O 169726168 DXZXDGPZCKSUIR-UHFFFAOYSA-N 277.024 1.257 0 50 CDAA CCCC[C@@H](N)C(=O)OB(c1ccccc1)c1ccccc1 169744559 ULFPEABNZQQSMT-QGZVFWFLSA-N 295.191 1.853 0 50 CDAA CCCc1cc(CN(C)C[C@H](O)C2CCNCC2)n[nH]1 1857683326 ZTFMXMVEFDJWDB-HNNXBMFYSA-N 280.416 1.155 0 50 CDAA Cc1nccc(CN2CCc3[nH]nc(C4CC4)c3CC2)n1 1857714406 STAFCOREWBIJCX-UHFFFAOYSA-N 283.379 1.986 0 50 CDAA CN1C(=O)COc2ccc(C(=O)CCC(=O)O)cc21 19776046 AJQGUERUHXEOTE-UHFFFAOYSA-N 263.249 1.089 0 50 CDAA in-vitro CC(C)[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cnn(C)c1 408474502 ASRDRGNRDBKDBO-UONOGXRCSA-N 279.384 1.830 0 50 CDAA Cn1c(N2CCC(O)(CN)CC2)nc2ccc(F)cc21 515187010 GVNWNXNMHFCQER-UHFFFAOYSA-N 278.331 1.002 0 50 CDAA OCCc1ccccc1-c1cnc(N2CCC[C@@H](O)C2)nc1 629761245 USAAMGWWJSEVLQ-OAHLLOKOSA-N 299.374 1.640 0 50 CDAA CC(C)c1noc(CCC(=O)N2CC[C@@](C)(C(=O)O)C2)n1 236664256 OUKACXMEQQLBEB-CQSZACIVSA-N 295.339 1.449 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4F)C(=O)[C@H]13)O2 239377512 OBEJYZKIHMQPDP-YXMPFFBPSA-N 289.262 1.197 0 50 CDAA in-vitro O=C(O)[C@@]12COc3ccccc3[C@@H]1CN(Cc1ncc[nH]1)C2 247432956 UXVSSAIQRZYKNB-LRDDRELGSA-N 299.330 1.473 0 50 CDAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)c1cnn(C)c1 154091445 ZJRCEHKHHMPJMT-HNNXBMFYSA-N 298.346 1.361 0 50 CDAA CC(F)(F)C(=O)N1CCC(CN2CCCCC2=O)CC1 585085748 MUYLJKZYNWRCHH-UHFFFAOYSA-N 288.338 1.893 0 50 CDAA CC(=O)N(C)Cc1cn(CCc2noc3ccccc23)nn1 900570616 SVWPWZPAJONKPB-UHFFFAOYSA-N 299.334 1.640 0 50 CDAA Cc1cc(C)nc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)c1 907968642 XFANHBGBQZVUFW-QNWHQSFQSA-N 288.347 1.928 0 50 CDAA Cc1ccc(C(=O)N[C@H](C(=O)O)c2cccc(C)c2C)nn1 909796128 MVHJOLIVFIYOCA-AWEZNQCLSA-N 299.330 1.958 0 50 CDAA C[C@@H]1[C@H](N2CCCC2)CCN1c1ccc(C(=O)O)cn1 910378240 LAELSYIPIHXIMX-DGCLKSJQSA-N 275.352 1.843 0 50 CDAA O[C@H](Cc1cn(C2CCOCC2)nn1)c1ccccc1 849140210 MNXCHHWYKMLCCU-OAHLLOKOSA-N 273.336 1.906 0 50 CDAA O=C(N[C@H]1C=CCC1)c1ccccc1N1CCOCC1 855424218 CKMIBOYMGRKORF-ZDUSSCGKSA-N 272.348 1.972 0 50 CDAA O=C(O)C[C@H]1Cn2nc(-c3ccccc3)cc2NC1=O 1857780190 QQMUXABWCLWISZ-JTQLQIEISA-N 271.276 1.593 0 50 CDAA C=CC(=O)N(C)CC(=O)NCc1cc2c(s1)CCCC2 858597034 URROBXASROBLRI-UHFFFAOYSA-N 292.404 1.888 0 50 CDAA CC(C)(C)c1cn(CCC2CS(=O)(=O)C2)cn1 865376575 UTODDFIKVRXMKX-UHFFFAOYSA-N 256.371 1.615 0 50 CDAA O=C(C=C1CCC1)N[C@H]1CCC[C@H]1Cn1cc(CO)nn1 952889862 NFBXQPOIWVURGP-JSGCOSHPSA-N 290.367 1.166 0 50 CDAA Cn1nc(O)cc1C(=O)NCc1ccnc(OC(F)F)c1 1875293792 CJIIGJVIIOVNBD-UHFFFAOYSA-N 298.249 1.052 0 50 CDAA COc1ccccc1-c1nn(C)cc1CN=c1cccn[nH]1 1875264001 SBIGXWHBKCYJRS-UHFFFAOYSA-N 295.346 1.920 0 50 CDAA C[C@@H](c1ccccn1)N(C)CCNC(=O)/C=C/CN(C)C 1875376659 FEWLRGCCAGUTPD-KGXGESDWSA-N 290.411 1.308 0 50 CDAA Cn1c(=O)oc2ccc(CN[C@H](CN)C(F)(F)F)cc21 1875323567 MHJZMWSBFNDAED-SNVBAGLBSA-N 289.257 1.111 0 50 CDAA CN(C(=O)[C@@H]1CCOC1)[C@H]1CCC[C@@H]1n1cccn1 1875393877 OITUNOAVGUODLL-AGIUHOORSA-N 263.341 1.472 0 50 CDAA C=CC(=O)NCC(=O)N1CC[C@H](n2ncc3ccccc32)C1 1875301906 VLRFJMASWBOQER-ZDUSSCGKSA-N 298.346 1.112 0 50 CDAA O[C@H]1COCCN(c2cc(-c3ccccc3)ncn2)C1 1164512273 WCAAFDRQLUMIJV-CYBMUJFWSA-N 271.320 1.341 0 50 CDAA Cn1cncc1CN1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1 895006450 JKFFNFOMTBAWNB-CABCVRRESA-N 284.363 1.121 0 50 CDAA CO[C@H](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 237179448 MIKHAODSNNVQKR-ZWNOBZJWSA-N 277.320 1.450 0 50 CDAA Cc1cc(S(=O)(=O)N(C)CC(=O)O)sc1C 261566417 DNAWSPMQSOZFAO-UHFFFAOYSA-N 263.340 1.070 0 50 CDAA C[C@H](CC(=O)N1[C@H](C)COC[C@H]1C)[C@H]1CCCNC1 262641645 RXRQCYLJONXAON-SYQHCUMBSA-N 268.401 1.648 0 50 CDAA O=c1cc(CN2CCCCCCC2)nc2nc[nH]n12 334159654 LKWYCXAGCOXCRJ-UHFFFAOYSA-N 261.329 1.184 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)C1 336514616 COMAGCDWFQPDDY-JTQLQIEISA-N 258.325 1.244 0 50 CDAA C[C@@H](C(=O)O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 647162979 XMLYYBUORCEWTL-TZMCWYRMSA-N 290.363 1.440 0 50 CDAA CC(C)c1nc(CCNc2ncccc2C(N)=O)no1 822285011 FXRNDCXTLSCUQI-UHFFFAOYSA-N 275.312 1.342 0 50 CDAA COc1ccc(C(=O)N[C@@H]2Cc3ccccc3NC2=O)cc1 15108949 CXPJGEBHIDBUJY-OAHLLOKOSA-N 296.326 1.988 0 50 CDAA Cc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)[nH]1 2325777771 CCKBDUDPYNCHFV-UHFFFAOYSA-N 284.315 1.675 0 50 CDAA CO[C@H](C(=O)O)C1CN(Cc2nn(C)c3ccccc23)C1 2325787624 LWRAXYDLIRFGNH-AWEZNQCLSA-N 289.335 1.105 0 50 CDAA N[C@@]12CCOC[C@@H]1CN(Cc1ccccc1-n1cccn1)C2 2325809905 YWFCKFNWVOQZAD-DOTOQJQBSA-N 298.390 1.422 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1cccc(N)c1)C(=O)O 144358891 IZHOFFXTZQKZCS-NSHDSACASA-N 280.324 1.789 0 50 CDAA COc1c2c(nc3ccccc13)O[C@H]([C@@](C)(O)CO)C2 35531 NETGEQWGGLFVRL-WFASDCNBSA-N 275.304 1.290 0 50 CDAA biogenic,in-vitro CCOC(=O)c1nn(-c2ccc(C(=O)OC)cc2)cc1O 102748 QPAVUCVHBQVGAU-UHFFFAOYSA-N 290.275 1.541 0 50 CDAA COc1ccc(S(=O)(=O)Nc2ccncc2)cc1 369359 QDLNQAQJDCEUKE-UHFFFAOYSA-N 264.306 1.891 0 50 CDAA COC(=O)c1ccccc1NC(=O)c1cnccn1 433990 CNOOGAXMMZRSAF-UHFFFAOYSA-N 257.249 1.516 0 50 CDAA COc1ccc(CCNC(=O)C(F)(F)F)cc1OC 458571 RIULCRYOMGKNSV-UHFFFAOYSA-N 277.242 1.925 0 50 CDAA C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@H]1CCCO1 1054264 MRJUYPBLOMGFDD-MWLCHTKSSA-N 263.293 1.713 0 50 CDAA O=C(/C=C/c1ccccc1)NC[C@H](O)c1cccc(O)n1 2356138582 MNIRTPXBQOFQHR-HBWSCVEGSA-N 284.315 1.650 0 50 CDAA COC1(CN(C)C)CCN(C(=O)c2cc(C)on2)CC1 2356156172 UZMBMLVZYVPROG-UHFFFAOYSA-N 281.356 1.166 0 50 CDAA CCCNC(=O)CCc1ccc(S(=O)(=O)NCC)cc1 2871951 CSWMOIRIISGIID-UHFFFAOYSA-N 298.408 1.444 0 50 CDAA CNC(=O)C(=O)NCC1(c2ccccc2)CCCC1 3004110 JKBAIXCSYRZDRN-UHFFFAOYSA-N 260.337 1.361 0 50 CDAA C[C@@]1(CCc2ccc(OC(F)F)cc2)NC(=O)NC1=O 3407377 QZXSDUPPEHKKQV-ZDUSSCGKSA-N 284.262 1.819 0 50 CDAA CCOC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 4425833 NPXFWULBRYXNLT-JTQLQIEISA-N 277.276 1.301 0 50 CDAA Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1N=O 4537155 KSMFEAVFAAFSMH-UHFFFAOYSA-N 280.309 1.534 0 50 CDAA O=C(NCCc1ccc(Cl)cc1)c1nc[nH]n1 4715508 YKGHTVVZVCJRDQ-UHFFFAOYSA-N 250.689 1.431 0 50 CDAA Cc1ccc(C)c(S(=O)(=O)NC2CCN(C)CC2)c1 6551657 YGFUNGIUJVEGDD-UHFFFAOYSA-N 282.409 1.676 0 50 CDAA O=S(=O)(Nc1ccon1)c1ccc(F)c(F)c1 6706658 GYHGVZHDZFHFOA-UHFFFAOYSA-N 260.221 1.754 0 50 CDAA C[C@H]1CCN2C(=O)N(c3nccs3)C(=O)[C@H]2C1 225453287 ZUTBDSZVHMAQIX-JGVFFNPUSA-N 251.311 1.710 0 50 CDAA Cn1cc(CC(=O)N2CC[C@H](c3ccccn3)C2)cn1 225600215 LJKHYKSLIFPZHR-ZDUSSCGKSA-N 270.336 1.374 0 50 CDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=CC[C@H]2CC1 101046665 YEHMQVYSZOYDGF-STQMWFEESA-N 269.304 1.637 0 50 CDAA CNCc1cc2nc(Cl)nc(N3CCOCC3)c2s1 113280106 FGYOBHBOPXDZMF-UHFFFAOYSA-N 298.799 1.901 0 50 CDAA O=C1Nc2ccccc2[C@@H]1[C@@]1(O)C(=O)Nc2ccc(F)cc21 101015485 GWARABSOJONSBW-XJKSGUPXSA-N 298.273 1.701 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 133558320 ZEVMUHHGTURJIH-LBPRGKRZSA-N 278.400 1.771 0 50 CDAA Cc1nnc([C@H](C)N(C)CC2CCN(C[C@H](C)O)CC2)o1 247101340 IEJXQQYEQRQNOH-RYUDHWBXSA-N 296.415 1.464 0 50 CDAA CCc1cc(N[C@@H]2CCCOCC2)n2ncnc2n1 345128177 ZHEQRSXVFIUDDJ-LLVKDONJSA-N 261.329 1.668 0 50 CDAA c1ccc2nn(CCn3nnc4ccccc43)nc2c1 5519818 JSPKDGODLNHTMD-UHFFFAOYSA-N 264.292 1.876 0 50 CDAA CCOC(=O)CCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 134884185 ADKWJLPWNCWVKV-UKRRQHHQSA-N 280.412 1.888 0 50 CDAA COc1cc(N(C)CCCc2nccn2C)ncn1 65459398 TZEYXISYXZDJKP-UHFFFAOYSA-N 261.329 1.288 0 50 CDAA O=c1cc(N2CCCC2)cnn1Cc1cccnc1 23542225 QAMIOUMAOGHFIT-UHFFFAOYSA-N 256.309 1.287 0 50 CDAA Cc1ccc([C@@H](NC(CO)CO)c2ccncc2)cc1 65383608 RJUQXWVYOYYWBT-MRXNPFEDSA-N 272.348 1.422 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)C(=O)c2ccco2)[nH]n1 67817422 KIQCRNBBKVVVRM-QMMMGPOBSA-N 261.281 1.241 0 50 CDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2C[C@H]1O 519843 SGFFREHBBCJPJB-XHJNMGKDSA-N 266.293 1.223 0 50 CDAA biogenic CSCc1ccc(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)o1 215633272 KCJKYAPNGUWUOG-ZCFIWIBFSA-N 282.325 1.045 0 50 CDAA CCOCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O 170611789 NYVQYVATKZOKOT-AWEZNQCLSA-N 290.363 1.249 0 50 CDAA O=C(NCCOCC1CC1)N[C@H]1CC[C@@H](CO)CC1 252511426 GQYIUNVFKXGUDK-BJHJDKERSA-N 270.373 1.263 0 50 CDAA CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)OC[C@@H](C)O2 229904480 LCUKTFFHMNITAY-KGLIPLIRSA-N 296.411 1.615 0 50 CDAA COCc1ccc(C(=O)N2CCC[C@](O)(CO)CC2)s1 72166446 ZDAIKNSRSJWRMO-CQSZACIVSA-N 299.392 1.244 0 50 CDAA CCN(CC)CCCN1CC(=O)N[C@H]2CCCC[C@@H]21 170607465 BRIYFEAZGSDLHR-KBPBESRZSA-N 267.417 1.461 0 50 CDAA CSC[C@@H](C)C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328632460 RWUCCGJJNASREW-MNOVXSKESA-N 282.413 1.224 0 50 CDAA NC(=O)N1CCCN(C(=O)[C@H](F)CC2CCCCC2)CC1 253427577 CTUWWEOWJUPFGX-CYBMUJFWSA-N 299.390 1.908 0 50 CDAA CCc1nc(CNc2ccc3c(c2)C(=O)NC3)no1 153746151 CCERVDQEVGWZDD-UHFFFAOYSA-N 258.281 1.488 0 50 CDAA C[C@H](OC[C@H]1CCCCO1)c1nc(Cn2cccn2)no1 329311715 GHQLMCRNMLWZGS-NWDGAFQWSA-N 292.339 1.961 0 50 CDAA C1C[C@H]2[C@@H]3C[C@H](C[C@@H]3N[C@H]3CCc4nnnn4CC3)[C@H]2C1 333844869 MBLHLUDFYNGSEH-QLKXBERHSA-N 287.411 1.792 0 50 CDAA COc1cc(CN2CCOC[C@@H]2CO)ccc1F 216192887 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CDAA CC(C)Oc1ccc(-c2nc(C(=O)O)nn2C)cc1 1506415119 LKCFHGSNCMGLCS-UHFFFAOYSA-N 261.281 1.968 0 50 CDAA c1cncc([C@H](CNc2cnccn2)N2CCOCC2)c1 1506396828 OFTHTKAWELRSCB-AWEZNQCLSA-N 285.351 1.357 0 50 CDAA CCCN1CC(=O)N[C@@H]1c1c(Cl)c(C)nn1C 905026179 BUTFETVZJOGWGK-NSHDSACASA-N 256.737 1.222 0 50 CDAA CCC(CC)n1nccc1NC(=O)[C@H]1CCC(=O)N1 1529101929 RDQRZWLJWJBMGS-SNVBAGLBSA-N 264.329 1.461 0 50 CDAA CCn1ncc(C)c1NC(=O)[C@H]1CCCN(CCOC)C1 1529099915 HMKSXSDYXRQGBU-ZDUSSCGKSA-N 294.399 1.508 0 50 CDAA CC(C)CN1CCN(c2nc(C(=O)O)co2)[C@H](C)C1=O 1529105896 JNJBTZDHACBCHX-SECBINFHSA-N 281.312 1.066 0 50 CDAA O=C(CC1=CCCC1)N1CCN(c2ncccn2)CC1 1857682188 GBVASIHBMCCPBP-UHFFFAOYSA-N 272.352 1.626 0 50 CDAA CC[C@]1(O)CCN(c2nccc3ccccc23)C[C@@H]1O 216387401 UTBFMLHSADSTDQ-HOCLYGCPSA-N 272.348 1.947 0 50 CDAA COCCCNC(=O)C(=O)Nc1cc(C)cc(C)c1 2966087 RGHMDIQLVLLKBV-UHFFFAOYSA-N 264.325 1.395 0 50 CDAA O=C(Nc1ccc(-n2cncn2)cn1)c1cscn1 230488709 PKPHBAYPIYDPQK-UHFFFAOYSA-N 272.293 1.371 0 50 CDAA N[C@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 132630293 RRBIPCCUJKVANR-WCQYABFASA-N 262.378 1.577 0 50 CDAA COCC(=O)N1CCC[C@@H](Nc2cccc(F)c2)C1 12578289 XWWAKEONUZNQNK-CYBMUJFWSA-N 266.316 1.875 0 50 CDAA CCNC(=O)NC(=O)CN1CCC[C@H]2CCCC[C@H]21 230039264 HNJQZQMDECKFBC-VXGBXAGGSA-N 267.373 1.487 0 50 CDAA CC(=O)NCCC1CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1775983783 BVQXSZMQRQLZSB-OAHLLOKOSA-N 295.427 1.093 0 50 CDAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3C[C@@H](O)C[C@H]3C2)c1C 1775984298 NMQCTPGEESQJHF-CLLJXQQHSA-N 290.363 1.677 0 50 CDAA O=S(=O)(Cn1nnc2ccccc21)c1ccccc1 5485295 MVMJSTOXBAXBFS-UHFFFAOYSA-N 273.317 1.863 0 50 CDAA O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1 12504504 SQWZFLMPDUSYGV-POHAHGRESA-N 257.274 1.954 0 50 CDAA in-vivo COc1ccc(-c2noc(CN(C)[C@@H]3CCOC3)n2)cc1 15063864 APELBHHSYZIPIT-GFCCVEGCSA-N 289.335 1.966 0 50 CDAA COCc1noc(-c2ccc(N3CCOCC3)nc2)n1 15063886 ZLJIULFSEISJDB-UHFFFAOYSA-N 276.296 1.115 0 50 CDAA CC[C@@H](C)NC(=O)c1cnc2scc(C)n2c1=O 16626169 OMGSCMFOSYNRAY-SSDOTTSWSA-N 265.338 1.593 0 50 CDAA COc1ccc(N2C(=O)C[C@@H](SCCN)C2=O)cc1 18275881 UPPLCWKFQXAGKI-LLVKDONJSA-N 280.349 1.019 0 50 CDAA Cc1ccccc1OCCNCCNC(=S)S 19799001 ISJZIJRJLLMJBI-UHFFFAOYSA-N 270.423 1.768 0 50 CDAA COc1ccc(-c2ccc3c(O)nc(=O)n(C)c3n2)c(O)c1 1857526798 YVRKBUSCAQNELZ-UHFFFAOYSA-N 299.286 1.415 0 50 CDAA C[C@@H](Oc1cccnc1)C(=O)N1C[C@H](C)[C@@H](C(=O)O)C1 1857532642 BXYOINAZFSQJMN-UMNHJUIQSA-N 278.308 1.028 0 50 CDAA Cc1[nH]nc2c1CN([C@@H]1CCOC3(CCNCC3)C1)CC2 1857676079 JPSQYHOWKOELSL-CYBMUJFWSA-N 290.411 1.377 0 50 CDAA Cc1cc(F)cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)c1 1857732866 KXPSOHGYINFCQZ-CQDKDKBSSA-N 292.354 1.726 0 50 CDAA CC(C)C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O 57457 RMOSZIHTPMEZAP-LLVKDONJSA-N 261.277 1.782 0 50 CDAA in-vitro O=C([C@@H]1CCCCO1)N1CCC(c2nnc(O)o2)CC1 332488493 YWXBRHHWVDNJIV-JTQLQIEISA-N 281.312 1.050 0 50 CDAA CCOc1ccccc1OCCN1C[C@@H](OC)C[C@H]1CO 344675869 LIMWKWMDQVIRAV-KBPBESRZSA-N 295.379 1.546 0 50 CDAA C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cccc(-n2cccn2)c1 262402677 MNWJNVDGSGVSRU-GDLCADMTSA-N 299.330 1.770 0 50 CDAA COC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 36379603 JPZJLASWSZCENI-UHFFFAOYSA-N 259.302 1.487 0 50 CDAA in-vitro COc1ccnc(NC[C@H]2CCO[C@@H]2C(C)C)n1 267200642 JHZLLHVIXSKWJV-ZYHUDNBSSA-N 251.330 1.958 0 50 CDAA CN(C)Cc1ccc(C(=O)Nc2ccc(CO)cc2)cn1 912306609 ABOHXZXKNKAEFB-UHFFFAOYSA-N 285.347 1.888 0 50 CDAA O=C(CC1(O)CCCCC1)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 907951962 HFVPMSNJFUEBRO-LPWJVIDDSA-N 295.379 1.687 0 50 CDAA O=C1NCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 827758247 KJZILBQJRJZPML-SSDOTTSWSA-N 290.216 1.919 0 50 CDAA C=CC(=O)Nc1cccc(NS(=O)(=O)C2CC2)c1 1259276721 AYVDVTAAZSMWBR-UHFFFAOYSA-N 266.322 1.715 0 50 CDAA Cc1cnn(C)c1NC(=O)N1CCO[C@@H](C)CC1 931891765 VGEWDPVLCUEFSR-JTQLQIEISA-N 252.318 1.371 0 50 CDAA CCn1cc([C@H](C)NC(=O)c2snnc2C)cn1 1262626953 DKGJWPGGVWHDHB-ZETCQYMHSA-N 265.342 1.554 0 50 CDAA COc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]2C[C@H]2N1 843373217 ZHJBOXORMXVSPW-BNOWGMLFSA-N 272.348 1.725 0 50 CDAA Cc1nn(C)c2c1C[C@@H](NC(=O)Cc1ccco1)CN2 952883097 XTRIDDJOJBEKPE-SNVBAGLBSA-N 274.324 1.017 0 50 CDAA CC(C)c1nnnn1Cc1ccccc1S(C)(=O)=O 1875280915 GJTAUPBYWRGFGN-UHFFFAOYSA-N 280.353 1.248 0 50 CDAA Cc1nc([C@@H](C)S(=O)(=O)CCc2ccccc2)n[nH]1 1875279314 PABUVRTUDSAHDF-SNVBAGLBSA-N 279.365 1.832 0 50 CDAA O=C(OCc1cc(O)nc(O)n1)c1[nH]ccc1C1CC1 1875265865 STSQZPBWDGOPDZ-UHFFFAOYSA-N 275.264 1.450 0 50 CDAA COc1c(NC(=O)c2ccc(C(=O)O)nc2)c(C)nn1C 1875258720 QYLHXEDSBVZCDR-UHFFFAOYSA-N 290.279 1.083 0 50 CDAA N[C@H](CNC(=O)CCC12CC(CN1)C2)c1ccc(F)cc1 1875307384 DMDWFXDYGDZBCO-OFWKBQFLSA-N 291.370 1.474 0 50 CDAA CN(C)C/C=C/C(=O)N(C)Cc1ccnc2[nH]ccc12 1875376721 GSHUARPFSMZHKX-SNAWJCMRSA-N 272.352 1.639 0 50 CDAA Cc1nccnc1[C@H](C)N=c1[nH]c2ccncc2n1C 1875305274 OLHYZVAPFIBOAU-JTQLQIEISA-N 268.324 1.662 0 50 CDAA CCN(C(=O)c1conc1C1(C)COC1)c1cnn(C)c1 1875395103 LHYQUMLVXUSNKQ-UHFFFAOYSA-N 290.323 1.363 0 50 CDAA CNC(=O)c1ccc(N2CCCO[C@H](C(C)C)C2)nc1 1775986216 AJKWDIIUDJENTG-ZDUSSCGKSA-N 277.368 1.693 0 50 CDAA C=CC(=O)N1CC[C@H](C(=O)NCc2ccccc2)C1 1776007261 ISJNBLPALJFYOK-ZDUSSCGKSA-N 258.321 1.337 0 50 CDAA CC(=O)N(C)Cc1cn(Cc2nc3ccccc3[nH]2)nn1 899731299 XRNHHBJIJIGKQH-UHFFFAOYSA-N 284.323 1.181 0 50 CDAA O=C(c1ccco1)N1CCN(Cc2cccnc2)CC1 19774040 YJNWGHHWDLOIQE-UHFFFAOYSA-N 271.320 1.633 0 50 CDAA OCCOCCN1CCN(CC2CCCCC2)CC1 22027647 SOWQBSYZVRRADT-UHFFFAOYSA-N 270.417 1.193 0 50 CDAA C[S@](=O)CCN1CCO[C@H](c2ccccc2)C1 252492232 MGEBXJBXGXTXOD-GUYCJALGSA-N 253.367 1.438 0 50 CDAA Cc1cc(C(=O)N[C@@H](CC(=O)O)CC(C)C)no1 257707179 RPIBQAKCHDCNSB-SECBINFHSA-N 254.286 1.602 0 50 CDAA O=C(O)c1ccc(CNC(=O)[C@H]2CCCOC2)s1 263205690 MXESMAMOSSRGSU-QMMMGPOBSA-N 269.322 1.489 0 50 CDAA O=C(NCc1ccsc1)c1ccn([C@H]2CCCNC2)n1 275680284 QDKSAFUQUWFIOG-LBPRGKRZSA-N 290.392 1.799 0 50 CDAA O=C(O)c1cccnc1N1CCO[C@@H](C(F)(F)F)C1 71712143 PQDKBGGBEPWGAB-MRVPVSSYSA-N 276.214 1.547 0 50 CDAA O=C(NC[C@H]1CNCCOC1)Nc1ccccc1Cl 72129078 JBHOFGGNNHXAFQ-SNVBAGLBSA-N 283.759 1.698 0 50 CDAA CNC(=O)CC1CCN(CC[C@H]2CCOC2)CC1 438125642 ITMPNHTYMZZOSM-ZDUSSCGKSA-N 254.374 1.261 0 50 CDAA COCC[C@@H]1CN(Cc2cnc(C)cn2)CCO1 670438501 ZWNJXNJPFLGGFN-CYBMUJFWSA-N 251.330 1.022 0 50 CDAA C[C@H](C(=O)NCc1cc(C(=O)O)co1)N1CCSCC1 910311380 XJNWLFOTLMRGSD-SECBINFHSA-N 298.364 1.031 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCNC2)ccc1Cl 138329821 DMSWJYSJOHMXPK-JTQLQIEISA-N 252.745 1.988 0 50 CDAA CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 261880 QJJISNOGSSHKFX-NSHDSACASA-N 271.338 1.527 0 50 CDAA COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1 438086 PFACRRHGSURPTB-UHFFFAOYSA-N 266.322 1.746 0 50 CDAA O=C(O)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1 470145 ZIAFXLGSGMQYPL-UHFFFAOYSA-N 291.328 1.717 0 50 CDAA in-vitro COC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 582094 UBCPWHJRPJHJDX-JTQLQIEISA-N 271.338 1.323 0 50 CDAA NCCS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 2221479 UOOBWGLMALEZNL-JTQLQIEISA-N 268.313 1.150 0 50 CDAA CCN(CC)C(=O)Cn1cnc2ccccc2c1=O 2987534 VTRNHSOICIQFSP-UHFFFAOYSA-N 259.309 1.265 0 50 CDAA CCOC(=O)CN1C(=O)c2cccc3cccc(c23)C1=O 3896900 AIIBLBFSDDFKIE-UHFFFAOYSA-N 283.283 1.999 0 50 CDAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NC[C@@H]1CCCO1)OC2=O 4185587 RBNNIWVLYVEDMY-VQISRLSMSA-N 281.352 1.404 0 50 CDAA CCOc1ccc(N(C(C)=O)[C@@H]2C=CS(=O)(=O)C2)cc1 4301782 HBGQHFLRPYEDBU-CYBMUJFWSA-N 295.360 1.749 0 50 CDAA CSc1nnc(-c2ccncc2)n1CCCO 10312578 SUGVDAGBOYBGMR-UHFFFAOYSA-N 250.327 1.444 0 50 CDAA Cc1c(NS(C)(=O)=O)cccc1C(=O)NC(C)C 10332725 FEQXCTFTGXFQLA-UHFFFAOYSA-N 270.354 1.505 0 50 CDAA C[C@@H](Sc1ncn[nH]1)C(=O)Nc1nccs1 10678945 BOYDAKUFDOWOJM-RXMQYKEDSA-N 255.328 1.381 0 50 CDAA C[C@H]1CCCC[C@H]1OCCNC(=O)[C@H](C)CC(N)=O 225800799 FEGHZUBZZMPPTM-QJPTWQEYSA-N 270.373 1.209 0 50 CDAA CC[C@H](C)CNC(=O)NCc1nc(-c2ccncc2)n[nH]1 422206532 KKQQZEKSSHFWGH-JTQLQIEISA-N 288.355 1.712 0 50 CDAA OC[C@H](O)CNc1nnc(-c2ccccc2Cl)s1 133418819 GQSGEQVQELRQSW-SSDOTTSWSA-N 285.756 1.624 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(O)c1 100699346 JYVVSOYSBKBJHG-RBJBARPLSA-N 255.273 1.704 0 50 CDAA CC1(NC(=O)Cn2c(=O)oc3ccccc32)CCC1 55175456 IGALUFQZXQLWMT-UHFFFAOYSA-N 260.293 1.653 0 50 CDAA CC(C)NC(=O)CNC(=O)C1(c2ccccc2F)CC1 67946391 SVAYEWXMFOKSSK-UHFFFAOYSA-N 278.327 1.498 0 50 CDAA CCn1nc2n(c1=O)C(=O)N(c1cccc(C)c1)C2 65362338 ZZBLECRLZTVVQJ-UHFFFAOYSA-N 258.281 1.361 0 50 CDAA C[C@H]1CN([C@H]2CCOC2=O)C[C@@H](C)N1C(=O)OC(C)(C)C 247094275 UKRNQJAXTPYKRI-TUAOUCFPSA-N 298.383 1.632 0 50 CDAA C[C@H](O)CN1CCN(c2cnc3ccccc3n2)C[C@H]1C 247130748 KJQDZROGKDMIOC-OLZOCXBDSA-N 286.379 1.521 0 50 CDAA O=C([C@@H]1CCCO1)N1CCN(Cc2ccc(F)cc2)CC1 20457785 UXQWYRIGZQLMPA-HNNXBMFYSA-N 292.354 1.649 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CCCNC2=O)C1 35571794 BCWUGEIFXRKYMP-CQSZACIVSA-N 268.357 1.914 0 50 CDAA CC(C)(C)OC(=O)NCCc1cc(C(=O)O)no1 139644179 JENSYBUZSUONAU-UHFFFAOYSA-N 256.258 1.440 0 50 CDAA C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2ccsc2)CC1=O 229933954 NJGBHRXPKWVLFU-USWWRNFRSA-N 293.392 1.557 0 50 CDAA O=C(Nc1ccccn1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 230087657 SUZYXVXHBASUDR-KQXIARHKSA-N 261.325 1.610 0 50 CDAA CC(=O)N[C@@H](CSCc1ccccc1)C(=O)O 399461 BJUXDERNWYKSIQ-NSHDSACASA-N 253.323 1.509 0 50 CDAA biogenic,in-vitro Cn1nc(C(=O)N2CC[C@]3(CCCNC3)C2)c2ccccc21 67769670 VTCKHIZDWIEHOT-KRWDZBQOSA-N 298.390 1.789 0 50 CDAA O=C(Nc1nccs1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 36383758 IYGBPWXPTHMPIX-ANZWQOBJSA-N 264.306 1.279 0 50 CDAA CCc1ccc(CN[C@@H](C(=O)OC)[C@@H](C)O)cc1 170606968 UWHBQHSEILOVJA-ZWNOBZJWSA-N 251.326 1.261 0 50 CDAA Cc1cc(N2CCC[C@H](NC[C@@H]3CCC=CO3)C2)n(C)n1 328587785 HYYFPNKLXKXSIE-GJZGRUSLSA-N 290.411 1.980 0 50 CDAA CO[C@H]1CN(C(=O)COc2cccc(C)c2C)CC[C@H]1N 71712015 OGVGEKPROMLXBC-HIFRSBDPSA-N 292.379 1.257 0 50 CDAA O=C1C[C@@H](C(=O)Nc2cnccc2CO)c2ccccc2N1 362431937 KGKPZZAVCHLDEV-GFCCVEGCSA-N 297.314 1.638 0 50 CDAA Cn1cnc(C(=O)N2CCc3c(cccc3C(=O)O)C2)c1 236122584 NHQGOIVAFGNWEH-UHFFFAOYSA-N 285.303 1.317 0 50 CDAA CC(C)(C)OC(=O)N1CCC(O)(CC(=O)O)CC1 34148001 CTGKOZWOKCERFN-UHFFFAOYSA-N 259.302 1.223 0 50 CDAA CCCn1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c(C)n1 215903482 YXYQDOHCZDSRPE-HZPDHXFCSA-N 299.374 1.990 0 50 CDAA CCN(CCn1cccn1)C(=O)c1n[nH]c2ccccc12 216470945 OUNAFRYHPPJICQ-UHFFFAOYSA-N 283.335 1.922 0 50 CDAA CC[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)N(C)C 77522239 QZEZUIWLKXWRQR-HOTGVXAUSA-N 290.407 1.797 0 50 CDAA CC[C@H]1COCCN1C(=O)c1ccc(-n2cnnc2)cc1 77406652 GHGDDDRZLLFOTO-ZDUSSCGKSA-N 286.335 1.518 0 50 CDAA O=C(c1cn2cccnc2n1)N1CCOC2(CCC2)C1 127706101 ZWNIGGWBVPPQRA-UHFFFAOYSA-N 272.308 1.124 0 50 CDAA CCN1CCN(CCCOc2ccc(F)cc2)C(=O)C1=O 33359733 FIMIJOONIHJLLU-UHFFFAOYSA-N 294.326 1.285 0 50 CDAA COc1cccc(OCC(=O)N2CCCC[C@@H]2[C@@H](C)N)c1 237277118 CSPGLWLASOVMSQ-IUODEOHRSA-N 292.379 1.802 0 50 CDAA O=C(CSc1n[nH]c(O)n1)N1CC[C@@H](C2CCCC2)C1 333678340 DTTJMZLGPHONMH-SNVBAGLBSA-N 296.396 1.641 0 50 CDAA CN(C)C[C@]1(O)CCN(C(=O)c2cccc3cc[nH]c23)C1 72156143 GEVBADFUNHERHU-MRXNPFEDSA-N 287.363 1.307 0 50 CDAA COCc1noc(-c2ccc(N3CCC[C@H]3CO)nc2)n1 39447659 FYCXDQUNSXOFBF-NSHDSACASA-N 290.323 1.239 0 50 CDAA 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CDAA O=C(NCc1cccc(F)c1)[C@@H]1CCC(=O)N(C2CC2)C1 14953275 IBQIBAPMQMDIQL-GFCCVEGCSA-N 290.338 1.843 0 50 CDAA O=C1C[C@@H](NCc2ccncc2)C(=O)N1c1ccccc1 19782396 VLEUTQWKOOZXOW-CQSZACIVSA-N 281.315 1.503 0 50 CDAA COc1ccc(CNC(=O)CN(C)Cc2cccnc2)cc1 150871944 RSEOLCQUHZILSS-UHFFFAOYSA-N 299.374 1.838 0 50 CDAA CN1C[C@]2(CCN(Cc3cccc4ccnn34)C2)OC1=O 1857705208 XUMMIJLWSXLWCC-HNNXBMFYSA-N 286.335 1.361 0 50 CDAA C[C@@H]1CN2C[C@H](NC(=O)Nc3ccccc3)C[C@H]2CO1 1857717939 GTIIYNLCGAKXTK-BNOWGMLFSA-N 275.352 1.670 0 50 CDAA OC[C@H]1C[C@@H]2OCCN(Cc3nc4ncccc4o3)[C@H]2C1 1857734949 ZYYFWWSYVLGLLV-MDZLAQPJSA-N 289.335 1.195 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1cncn1C(C)C 643765782 CTOOJELHXUEIDY-OAHLLOKOSA-N 294.399 1.191 0 50 CDAA O=C(CCn1cccn1)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653328289 HAUFKNJQLRSZGI-KBPBESRZSA-N 299.330 1.703 0 50 CDAA Cc1cnc2cc(C(=O)NC[C@@]3(C)CCCNC3)ccn12 662764757 NXLOHAYABJLMBY-INIZCTEOSA-N 286.379 1.762 0 50 CDAA O=C(Nc1ccccc1CN1CCNC1=O)C(F)F 253430793 FXNUBOVTDYHMRH-UHFFFAOYSA-N 269.251 1.415 0 50 CDAA COc1cc2nc(C)nc(NCCN)c2cc1OC 35287640 ZYIKNFATWRSUMX-UHFFFAOYSA-N 262.313 1.326 0 50 CDAA in-vitro CNC(=O)[C@H]1CN(Cc2cnc(C)o2)c2ccccc2O1 929861812 UDVDHCUOWHVBOC-CQSZACIVSA-N 287.319 1.497 0 50 CDAA Cc1[nH]nc2c1CCCN2Cc1nc(O)c2cnn(C)c2n1 934308679 ATDTUZKMUMTGDF-UHFFFAOYSA-N 299.338 1.053 0 50 CDAA C=CC(=O)N(C)CC(=O)NC1(c2nccs2)CCCC1 859429563 DRBSANCJHNOJPS-UHFFFAOYSA-N 293.392 1.673 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1c(C)nsc1C 952881477 RMLBFQPXZWAFDX-UHFFFAOYSA-N 274.367 1.647 0 50 CDAA O=C1NCCN[C@@H]1c1ccc([C@@H]2CC23CCOCC3)cc1 1875272748 IRNNSQNFMXFQPC-LSDHHAIUSA-N 286.375 1.731 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NC(=O)Cc2cc[nH]n2)s1 1875284217 OVVKWWDVYZOYSS-UHFFFAOYSA-N 299.377 1.136 0 50 CDAA N[C@H]1C[C@H](C(=O)O)CN(CCCOc2ccccc2)C1 1875302676 BGEZUDDPAALLAX-STQMWFEESA-N 278.352 1.189 0 50 CDAA NC(=O)[C@@H]1CN(C2CCOCC2)C[C@H]1c1ccccc1 1875321470 JPHPZODSNLQSDL-LSDHHAIUSA-N 274.364 1.366 0 50 CDAA O=C(C[C@H]1CCNC1=O)N[C@@H]1CCCc2ccccc21 877904573 LYNUXGAUWBAVLE-TZMCWYRMSA-N 272.348 1.706 0 50 CDAA NCc1nnc(NC2CCN(Cc3ccccc3)CC2)o1 236176855 IAZXHEFWLJZLFX-UHFFFAOYSA-N 287.367 1.605 0 50 CDAA CCC1(Cn2cc(CN3C[C@H](C)O[C@H](C)C3)nn2)COC1 899725163 NVNFCJSGUAAQNP-BETUJISGSA-N 294.399 1.314 0 50 CDAA Cc1cc(F)cc(C(=O)N2CCOC[C@H]2CC(=O)O)c1 136849091 HCDHBJRLMJOZOQ-GFCCVEGCSA-N 281.283 1.450 0 50 CDAA CCNc1cc(C)nc(NCCNC(=O)CC)n1 67613841 IZISFORNBMMQML-UHFFFAOYSA-N 251.334 1.155 0 50 CDAA O=C(O)c1nc[nH]c1C(=O)N1CCC[C@H]1c1ccco1 97730180 MDKIUDTVCRXWJW-QMMMGPOBSA-N 275.264 1.678 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCC(=O)NC1 345333156 VBAZOPUHOJFEIX-MROQNXINSA-N 264.369 1.692 0 50 CDAA CN=c1cc[nH]c(=NCCCOC2CCCC2)[nH]1 534673807 NGOCQJKDTMLLRI-UHFFFAOYSA-N 250.346 1.123 0 50 CDAA COCC1(CNC(=O)C2CCNCC2)CCCC1 534661826 OKGYZTZFUNXHFZ-UHFFFAOYSA-N 254.374 1.309 0 50 CDAA N=c1[nH]c(C(=O)NCc2cncn2C2CC2)cs1 584895308 CONUODUCNVAPRB-UHFFFAOYSA-N 263.326 1.017 0 50 CDAA O=C(c1cn2c(n1)CCCC2)N1CC(F)(F)C[C@H]1CO 799725279 AGOJIGHENAMADF-VIFPVBQESA-N 285.294 1.062 0 50 CDAA CCC(=O)Nc1ccc2c(c1)nc(CCNC(C)=O)n2C 1432603 UKVYXMXOOSKBMQ-UHFFFAOYSA-N 288.351 1.600 0 50 CDAA COC(=O)Cc1cc(=O)[nH]c(Nc2ccccc2)n1 9939315 BAYOATOJYCPACP-UHFFFAOYSA-N 259.265 1.229 0 50 CDAA Cc1nc2ccc(O)cc2cc1C(=O)NC1COC1 2325769949 YXOYVACFPRHKTH-UHFFFAOYSA-N 258.277 1.377 0 50 CDAA O=C1CC[C@H](CC(=O)N2CCC3=C(CCCC3)C2)N1 2325800869 KRSMOURFJBGTBD-CYBMUJFWSA-N 262.353 1.758 0 50 CDAA Cc1nn(CC(=O)N2CC=CC23CCCCC3)c(=O)o1 912477145 CYKFJOCQUMWYHW-UHFFFAOYSA-N 277.324 1.246 0 50 CDAA O=C1C[C@H](N2CCCCC2)C(=O)N1Cc1ccccc1 84440 LFFMNEGDAQZGMW-AWEZNQCLSA-N 272.348 1.800 0 50 CDAA Cc1ccc(C(=O)Nc2ccccc2)cc1S(N)(=O)=O 282498 GUUQJXWAFNJBOQ-UHFFFAOYSA-N 290.344 1.895 0 50 CDAA CNC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1 385940 PMLSUHAVDUOYFN-UHFFFAOYSA-N 274.280 1.030 0 50 CDAA CCOC(=O)C(=O)Nc1ccc(OC)c(Cl)c1 2965983 YFYDGMSHZQBOIM-UHFFFAOYSA-N 257.673 1.850 0 50 CDAA O=C(Nc1ccc(OC(F)(F)F)cc1)C1=NCCN1 4303397 PHMXXFCOEZYAHA-UHFFFAOYSA-N 273.214 1.525 0 50 CDAA CCc1cc(S(=O)(=O)n2ccc(C)n2)ccc1OC 4993008 NQTKBGYUBSVXGC-UHFFFAOYSA-N 280.349 2.000 0 50 CDAA CN(C)c1cc(C(=O)N2CCC[C@H]2CO)c2ccccc2n1 133340740 VNQMULWNUFJELO-LBPRGKRZSA-N 299.374 1.898 0 50 CDAA CCOC(=O)c1ccc(N2CCOCC2)c(NC(C)=O)c1 20972141 ZIKVOWIHDQRKKF-UHFFFAOYSA-N 292.335 1.658 0 50 CDAA O=C1CCC(=O)N1CN1CCN(c2ccc(F)cc2)CC1 20123558 SLGCXZOBEMFESE-UHFFFAOYSA-N 291.326 1.054 0 50 CDAA Cc1ccc(C)c(NC(=O)N2C[C@H](N(C)C)C[C@H]2CO)c1 65381094 RRNZDGTYTFSNDU-KGLIPLIRSA-N 291.395 1.832 0 50 CDAA NCc1n[nH]c(=O)n1-c1ccc(Cl)c(C(F)(F)F)c1 65428463 NPZAFMIHPCSAGO-UHFFFAOYSA-N 292.648 1.692 0 50 CDAA CNC(=O)C[C@H](C)N(C)Cc1ccc(S(C)(=O)=O)cc1 65534241 GYMXUQBQMDWNFA-NSHDSACASA-N 298.408 1.047 0 50 CDAA O=C(N[C@H](C(=O)O)c1ccc(Cl)cc1)c1ccnnc1 345875214 OMBJJZUHZADVGH-NSHDSACASA-N 291.694 1.686 0 50 CDAA CCc1cc(N(C)CCO)nc(N2CCCCC2)n1 65396162 VDRHQZXJBOXXBO-UHFFFAOYSA-N 264.373 1.458 0 50 CDAA CN(Cc1ccnn1C)C(=O)[C@H]1CCCc2cccnc21 349288851 XHFSPBGQSDPDHJ-AWEZNQCLSA-N 284.363 1.894 0 50 CDAA CS(=O)(=O)/N=c1/ccc(-c2ccc3c(c2)OCO3)c[nH]1 67805484 YCBVGPHAHPQNCO-UHFFFAOYSA-N 292.316 1.271 0 50 CDAA COc1nccnc1-c1cc(C)cc2c1O[C@H](CN)C2 67851091 NNZPKEKWQDEFOJ-NSHDSACASA-N 271.320 1.723 0 50 CDAA COc1ccc([C@@H](C)NC(=O)CN2CCCC2=O)cc1F 61240994 YFWQECWSYLZKKH-SNVBAGLBSA-N 294.326 1.634 0 50 CDAA C[C@H](NCc1ccc(CN2CCCCC2)s1)C(N)=O 32529823 JDXDTPUVFYAWKE-NSHDSACASA-N 281.425 1.697 0 50 CDAA Cc1nc(C)n(CCC(=O)NCc2ccccc2)n1 32498235 HHNFYJNSNXLSEX-UHFFFAOYSA-N 258.325 1.601 0 50 CDAA C[C@@H]1CCCCN1C(=O)CN(CC(=O)O)c1ccccc1 34926610 RHKYAWSMIVXMQP-CYBMUJFWSA-N 290.363 1.979 0 50 CDAA CCOC[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 328592789 NZYCMZZYSFUDHU-CYBMUJFWSA-N 268.401 1.603 0 50 CDAA CN(CC1CC1)C[C@H]1CN(C(=O)C(C)(C)F)CCO1 328649875 VHVYCGSFUATSGE-LBPRGKRZSA-N 272.364 1.304 0 50 CDAA Cc1noc(C)c1C(=O)N(C)C[C@@H]1CCn2ccnc2C1 328631262 QSIHTUGYYQCGNL-GFCCVEGCSA-N 288.351 1.823 0 50 CDAA CC(C)N(C)CC(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1 229963335 MGNVQGPLAYMVJM-IAQYHMDHSA-N 282.359 1.704 0 50 CDAA CC[C@@H](SC)C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328631860 RLJYLZJQQVYEJH-WDEREUQCSA-N 282.413 1.366 0 50 CDAA CCOC(=O)[C@@H]1CNCCc2c1[nH]c1ccccc21 71781439 CTOZCCZDPQNZFT-GFCCVEGCSA-N 258.321 1.960 0 50 CDAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc(F)cn1 328644671 GBNATUYFYOYFDG-JTQLQIEISA-N 260.272 1.231 0 50 CDAA c1cn(CCNc2cc(N[C@@H]3CCCOC3)ncn2)cn1 328654998 XXNOVCMDSXOYMK-GFCCVEGCSA-N 288.355 1.376 0 50 CDAA c1ccc([C@H](Cn2cccn2)Nc2ncncn2)cc1 219869572 DFEZSQZPVDOZMV-ZDUSSCGKSA-N 266.308 1.922 0 50 CDAA Cc1c(C(=O)Nc2cccn(C)c2=O)cnn1CC(C)C 122139995 SGRVKHUTVSARHM-UHFFFAOYSA-N 288.351 1.799 0 50 CDAA CCc1ccsc1C(=O)N1CCOC[C@H]1c1ncon1 253425819 IVZJRZRMQDTRCO-JTQLQIEISA-N 293.348 1.907 0 50 CDAA CCn1cc(C(=O)N2CCC[C@H](NC)C2)c(C(C)C)n1 151041867 ZZRCBEUKFWSVTC-LBPRGKRZSA-N 278.400 1.850 0 50 CDAA CCN1CCN(CCCOc2ccccc2F)C(=O)C1=O 33359732 GXHMTLCXUNAIOK-UHFFFAOYSA-N 294.326 1.285 0 50 CDAA CCCc1cc(C(=O)NC[C@H](CC)N2CCOCC2)no1 77504777 CLOQQJAVVFJSQT-LBPRGKRZSA-N 295.383 1.468 0 50 CDAA O=C(CSc1ccncc1)NCCc1ccncc1 215945555 NIIWJTCFDXXQIO-UHFFFAOYSA-N 273.361 1.928 0 50 CDAA COc1cc(C(=O)N[C@](C)(CO)C2CCCCC2)on1 157827347 ILZJXQVXKTVFBL-CQSZACIVSA-N 282.340 1.744 0 50 CDAA CN(C)C[C@@]1(CO)CCCN(Cc2ccoc2)C1 216320541 HMQWMHANIDVGEF-AWEZNQCLSA-N 252.358 1.416 0 50 CDAA C[C@@H](CO)NC(=O)c1cccc(CCC(C)(C)O)c1 72468734 HVSIUZJHCACRIQ-NSHDSACASA-N 265.353 1.501 0 50 CDAA NC(=O)[C@H]1c2ccccc2CCN1Cc1cc[nH]c1 374314199 ZYITYQAUBBTPHR-CQSZACIVSA-N 255.321 1.599 0 50 CDAA COc1c(C)cc(S(=O)(=O)N(C)CC(=O)O)cc1C 261734742 HQLFGOJHDLJUED-UHFFFAOYSA-N 287.337 1.017 0 50 CDAA CC[C@H](O)CN1CCN(S(C)(=O)=O)c2ccccc2C1 369195785 VXIZLKQIPDZEKF-ZDUSSCGKSA-N 298.408 1.039 0 50 CDAA CC(C)n1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)n1 261999736 PUQGJUDJNRWZIS-OAHLLOKOSA-N 299.378 1.646 0 50 CDAA Cn1cnnc1NC(=O)c1ccc(N2CCCC2)c(F)c1 157077103 LVCCXURFWLWLPX-UHFFFAOYSA-N 289.314 1.807 0 50 CDAA O=C(N[C@H]1CCCCNC1=O)c1cccc(-n2cccn2)c1 77540773 FNRFVRQLBSWYSU-AWEZNQCLSA-N 298.346 1.271 0 50 CDAA CCC[C@@]1(NC(=O)c2cc3n(n2)CCCC3)CCOC1 333090733 OEPLCHOKBXBHBP-OAHLLOKOSA-N 277.368 1.908 0 50 CDAA COc1cccc([C@](C)(CC(=O)O)NC(=O)C2CC2)c1 263177560 LISNZZAFQDGKNQ-HNNXBMFYSA-N 277.320 1.911 0 50 CDAA CC[C@@H](NC(=O)c1cc(F)ccc1O)C1CC(O)C1 220298034 XVMZQGXAMDVWQT-HSLLBKHCSA-N 267.300 1.811 0 50 CDAA O=C1C[C@H]2C[C@@H]1[C@H](C(=O)N1CC(OC(F)F)C1)C2 457740033 GFSXXIBPOBDYQY-NBEYISGCSA-N 259.252 1.052 0 50 CDAA COCC1(CNS(=O)(=O)c2ccc(F)cc2)CCC1 282359702 PRRGEKDDVOBQPC-UHFFFAOYSA-N 287.356 1.921 0 50 CDAA Cc1ccnc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)n1 284583285 OFACVLOWUYGOSL-UMVBOHGHSA-N 277.368 1.541 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)N(C)CCCN(C)C 426485986 DKRRAKDLNIUUFQ-UHFFFAOYSA-N 281.404 1.162 0 50 CDAA Cn1ccnc1CN(CCO)C(=O)C1Cc2ccccc2C1 426726723 HBTFUFXTCYZZQL-UHFFFAOYSA-N 299.374 1.156 0 50 CDAA O=C1CC[C@]2(CCOC2)CN1CCCOc1cccnc1 91651272 QDCQISUOPPUPEY-INIZCTEOSA-N 290.363 1.880 0 50 CDAA O=C([C@@H]1CCCc2[nH]ncc21)N1CC(O)(c2ccccc2)C1 288287440 QLHHSCVNHFNJKM-CYBMUJFWSA-N 297.358 1.560 0 50 CDAA Cn1cc([C@H](Nc2ccncc2F)[C@H]2C[C@@H](O)C2)cn1 243932478 BVSAJYQJINHPAI-OLUVUFQESA-N 276.315 1.878 0 50 CDAA CCCn1cc(CNc2cc([C@H]3C[C@@H](O)C3)ncn2)cn1 244692011 JMWJCPYFDZFYRN-BETUJISGSA-N 287.367 1.934 0 50 CDAA CN1CC[C@@]2(CCN(C(=O)c3ccnc4c3ncn4C)C2)C1 292141409 JIUOREDSCSWSNJ-MRXNPFEDSA-N 299.378 1.136 0 50 CDAA CC[C@@H](NC(=O)Nc1ncn(C)n1)c1nc(C)cs1 296948913 ZDWOIOIFZUVLSN-MRVPVSSYSA-N 280.357 1.853 0 50 CDAA CC(C)n1ccc(C(=O)NC[C@@]2(O)CCC[C@H]2C)n1 294433975 VDZDEGFSBJYVQZ-RISCZKNCSA-N 265.357 1.745 0 50 CDAA COc1cccc2c(N3CC(=O)N[C@@H](C)C3)ccnc12 295829512 VZLOOXYNDRGAEA-JTQLQIEISA-N 271.320 1.568 0 50 CDAA CS(=O)(=O)N[C@@H](Cn1cccn1)c1ccccc1 607362761 GQEAOGVRBCBQGF-LBPRGKRZSA-N 265.338 1.174 0 50 CDAA Cc1cc(C)n2nc(C)c(C(=O)NCc3nccn3C)c2n1 264288693 JPKPBCDGHFZDKP-UHFFFAOYSA-N 298.350 1.318 0 50 CDAA C[C@]1(C(=O)O)CCCN(Cc2cnn3cccnc23)C1 534671578 GZSWUNGUFYCIOM-AWEZNQCLSA-N 274.324 1.416 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2cccc(F)c2)C1 299740346 YQPZBWGYRSSJEO-VXGBXAGGSA-N 280.343 1.790 0 50 CDAA C[C@H](Cc1ccc(F)cc1)C(=O)N1CCOC[C@@H]1C(=O)O 299751342 QLSCJWZSTXXAFI-ZWNOBZJWSA-N 295.310 1.316 0 50 CDAA CN(C)Cc1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 371956776 JSWHKOLMHAMDTO-HNNXBMFYSA-N 298.390 1.759 0 50 CDAA O=C(c1cncnc1)N1CCN(CC2CCC2)CC1 584902828 FDRPQMHOZSUDBT-UHFFFAOYSA-N 260.341 1.035 0 50 CDAA O=C(Nc1nncs1)N1CCC[C@H]1c1ncccn1 902988857 WPYGTUWNLWRCDW-QMMMGPOBSA-N 276.325 1.697 0 50 CDAA Cc1nonc1CN1CCN(C2CCCCC2)C(=O)C1 670459542 MVWWKVLNPXAHDW-UHFFFAOYSA-N 278.356 1.355 0 50 CDAA CN(CCc1nc2ccc(F)cc2[nH]1)S(=O)(=O)C1CC1 670457663 YDPZUIJNZHWNLW-UHFFFAOYSA-N 297.355 1.669 0 50 CDAA O=C1OC[C@H]2CN(Cc3noc(C4CCCC4)n3)CCN12 670452316 AGHJHTWJULZXAI-LLVKDONJSA-N 292.339 1.364 0 50 CDAA O=C(Cc1cc(F)c(F)c(F)c1)N[C@@H]1C[C@H]2OCC[C@@H]12 1074642992 LVTGGQFYIJWGTN-XXILOJSOSA-N 285.265 1.940 0 50 CDAA CN(C(=O)[C@@H](N)CCc1ccccc1)C1CCOCC1 131722524 AJPCHGPNUQPMTP-HNNXBMFYSA-N 276.380 1.584 0 50 CDAA CC(C)Cc1noc(CS(=O)(=O)c2cccnc2)n1 1421451420 XFEPZHOVLSTYKA-UHFFFAOYSA-N 281.337 1.637 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@]23CCOC3)ncn1 1347534419 HVWDLHOJJUKRKK-AWEZNQCLSA-N 261.325 1.570 0 50 CDAA COc1cccc([C@H](O)Cn2cc(C(C)(C)O)nn2)c1 132687565 YEXMVMPPXRCBHG-GFCCVEGCSA-N 277.324 1.248 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 91303420 JLCQPFIUJZLSKU-UHFFFAOYSA-N 282.340 1.440 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CN)O2 95630829 BXYHKGJGEWCZMB-SNVBAGLBSA-N 256.346 1.504 0 50 CDAA in-vitro O=C(Nc1cnn2ccccc12)N1CC([C@@H]2CCOC2)C1 630351988 GKXQKHXFMVZGSL-LLVKDONJSA-N 286.335 1.835 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc(O)n1 408470727 VKADDWNSHNVWMQ-MJBXVCDLSA-N 290.363 1.861 0 50 CDAA CCN(C(C)=O)c1ccc(NC(=O)NC2CC2)cn1 664316556 UDZYSLOQAUDOCD-UHFFFAOYSA-N 262.313 1.738 0 50 CDAA CCOCCN(C)C[C@](C)(O)CNC(=O)OC(C)(C)C 408516916 QSKCXJDJGCNHAC-CQSZACIVSA-N 290.404 1.230 0 50 CDAA C[C@H]1OCC[C@H]1Nc1ccc2c(c1)CN(CC(N)=O)CC2 408515062 CQMUIGKRWFDLAX-IAQYHMDHSA-N 289.379 1.119 0 50 CDAA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CN[C@@H]1CCSC1 548021414 BMKIPFBMDGLWBF-XQQFMLRXSA-N 298.431 1.428 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCc2ccnc(O)c2C1 276958816 CYYFQDAZBFIQIU-GXTWGEPZSA-N 290.363 1.877 0 50 CDAA CC(C)N1CCC(C(=O)N(C)CCN(C)C2CC2)CC1 186732312 BANOFBWPLRHXGW-UHFFFAOYSA-N 281.444 1.659 0 50 CDAA Cc1nc(NC(=O)c2cnn(Cc3ccccc3)c2)n(C)n1 170594703 JVQXDKSCBSTPQM-UHFFFAOYSA-N 296.334 1.621 0 50 CDAA CO[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cccn2)CC[C@H]1C 187410304 RCKZZAGKVDXSSZ-MGPQQGTHSA-N 294.399 1.586 0 50 CDAA Cn1nnnc1-c1ccccc1NC(=O)C[C@@H]1CCCO1 637775430 XNIRVWSSVSZDDZ-JTQLQIEISA-N 287.323 1.385 0 50 CDAA CNC(=O)[C@H]1CCCCN1Cc1cccc2c1CCOC2 639484191 IALZNQOXNVPMHD-MRXNPFEDSA-N 288.391 1.860 0 50 CDAA C[C@H](O)Cc1cn(Cc2ccn(C3CCCC3)n2)nn1 709220716 PTTBFDHWGBASCI-NSHDSACASA-N 275.356 1.561 0 50 CDAA Cc1ccc(S(=O)(=O)NC[C@@H](C)N)cc1Cl 195300161 VOMWSNCMSZLAPC-MRVPVSSYSA-N 262.762 1.274 0 50 CDAA C[C@H]1CCCN(C(=O)c2nc[nH]c3nccc2-3)[C@@H]1C(=O)O 663058957 RREMIRKLOMEEDW-KWQFWETISA-N 288.307 1.235 0 50 CDAA CCn1cc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)cn1 653331457 RGIPGXMNOOXUBE-ZIAGYGMSSA-N 299.330 1.946 0 50 CDAA Cc1ccc2oc(=NCc3nc([C@@H]4CCOC4)n[nH]3)[nH]c2c1 585118057 YEIFOPYMOLHXQH-SNVBAGLBSA-N 299.334 1.792 0 50 CDAA Cc1ccnc(NC[C@@]23CNC[C@]2(C(F)(F)F)C3)n1 1615057167 FDQBZXDMWXBHAJ-GHMZBOCLSA-N 272.274 1.739 0 50 CDAA CNc1nc(C(=O)N2CCC[C@H]2C2(O)CC2)cs1 1772812144 BVMAFTSIKFENLT-VIFPVBQESA-N 267.354 1.314 0 50 CDAA Cc1cc(C)n(CCCN(C)C[C@@H]2CCOC2)n1 216001034 PXCYVNWVLWLFJF-AWEZNQCLSA-N 251.374 1.858 0 50 CDAA Cc1cc(S(=O)(=O)NCc2ocnc2C)c(C)o1 907598823 XHPJDQJMWOSHIH-UHFFFAOYSA-N 270.310 1.671 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1cc(O)ccc1C 218927900 KOTQVYBFYKPHSK-CHWSQXEVSA-N 265.309 1.234 0 50 CDAA O=C(c1ccon1)N1CC(Oc2ccccc2F)C1 1857685684 PKBWDUDELHDEBF-UHFFFAOYSA-N 262.240 1.717 0 50 CDAA N=c1[nH]nc(N2CCC[C@@H](Cn3ccnc3)C2)s1 1857739690 OMASVUZPXUQJFU-VIFPVBQESA-N 264.358 1.064 0 50 CDAA CCCn1nc(C)c(NC(=O)[C@H]2CC(=O)N(CC)C2)c1C 1529099162 RVULQIULICHCQB-LBPRGKRZSA-N 292.383 1.717 0 50 CDAA CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC(C(=O)O)C2 101788231 OVNHULFEMHFUNY-NXEZZACHSA-N 271.313 1.486 0 50 CDAA in-vitro CC(C)(C)c1nnc(NC(=O)NCC2(O)CCC2)s1 304279300 JYHHBHXEAPLHJG-UHFFFAOYSA-N 284.385 1.872 0 50 CDAA CSCCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 218666531 CZARDBZVVQBLFD-DCAQKATOSA-N 271.382 1.984 0 50 CDAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccccc1Cl 131796990 QIXNJDJTQKPECO-UWVGGRQHSA-N 288.800 1.840 0 50 CDAA Cc1cc(S(=O)(=O)NCC(=O)O)ccc1C(F)(F)F 262301589 NVMRWDBHHHQGRT-UHFFFAOYSA-N 297.254 1.377 0 50 CDAA CCc1nccn1CCC(=O)NCc1[nH]nc2ncccc12 1772816240 LJCNZABEFIPGTE-UHFFFAOYSA-N 298.350 1.423 0 50 CDAA CC(C)Cc1nc(CN2C[C@H]3CCCN3C(=O)[C@@H]2C)no1 1772701604 APTFXXOXBAXYPD-NWDGAFQWSA-N 292.383 1.463 0 50 CDAA Cc1ccccc1NC(=O)C[C@@H](C(=O)O)N1CCOCC1 5041471 BISZSZXIHXLXTG-ZDUSSCGKSA-N 292.335 1.109 0 50 CDAA CS(=O)(=O)N(CC(=O)O)c1ccc(Cl)cc1Cl 5911717 FPNZJBXKIUESCX-UHFFFAOYSA-N 298.147 1.844 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)nn1C 14980991 UTKZWEBPMBNFAK-LLVKDONJSA-N 292.383 1.105 0 50 CDAA COCC(=O)N[C@H]1CC(=O)N(C2CCCCCC2)C1 15077480 UXHIGSOCIJBOJP-NSHDSACASA-N 268.357 1.073 0 50 CDAA O=C(/C=C1\SC(=O)NC1=O)Nc1cccc(O)c1 17016339 LNNAUULOSPUWQC-YVMONPNESA-N 264.262 1.198 0 50 CDAA O=C(O)c1ccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)cc1 1857669623 VDNBITPZXLGCEW-GOEBONIOSA-N 291.347 1.216 0 50 CDAA CCN(Cc1ccncc1)C(=O)[C@@H]1CCn2nccc2C1 1857699946 FRFCISRLMOCCJF-CQSZACIVSA-N 284.363 1.889 0 50 CDAA CCC[C@@]1(CO)CN(c2ncnc(CC)c2F)CC[C@@H]1O 1857733051 SRAQZVQFJUWPDV-WFASDCNBSA-N 297.374 1.528 0 50 CDAA C[C@@H](NC(=O)C(C)(C)C)c1nc(Cn2cccn2)no1 332657756 NVPWKAHPTOPPGH-SECBINFHSA-N 277.328 1.538 0 50 CDAA Cc1cc(C)n(CC(=O)Nc2ccc3nn(C)nc3c2)n1 1875246447 HMVZYTJGQGANKM-UHFFFAOYSA-N 284.323 1.420 0 50 CDAA COc1ccc(N2C[C@H](C(=O)O)CC2=O)c(OC)c1 386546 MXNQXFPGGPZDQK-MRVPVSSYSA-N 265.265 1.141 0 50 CDAA in-vitro Cc1nc(N2CCC[C@H]2c2nncn2C)c2cnn(C)c2n1 408062321 YQWHQTBWIJBYMT-NSHDSACASA-N 298.354 1.142 0 50 CDAA O=C(NCc1ccccn1)C(=O)Nc1ccccc1F 2864925 RQJIDWXKTHPFPG-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA CC(C)OCCCNC(=O)C(=O)N[C@@H](C)c1ccccc1 3002967 YBICCCFAXRITKT-ZDUSSCGKSA-N 292.379 1.795 0 50 CDAA COCc1nsc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1 328588380 DGBCOBNFMJIIQL-ZWNOBZJWSA-N 299.396 1.459 0 50 CDAA Cc1cccc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)n1 237601175 CCTYWWCKOJTTGK-GFCCVEGCSA-N 292.335 1.486 0 50 CDAA CCc1nnc(O)c(CNC(=O)[C@H]2C[C@@H]2C(F)F)c1CC 338212926 CSBUTWVBPXFXRC-IUCAKERBSA-N 299.321 1.824 0 50 CDAA Cc1nc(C)c(C(=O)N[C@H](Cc2ccccc2)C(=O)O)o1 134076313 MDMQELHYTBHHMN-GFCCVEGCSA-N 288.303 1.717 0 50 CDAA C[C@H]1CN(c2nc3ccccc3[nH]2)C[C@@H]1N1CCOCC1 135055492 HFBHTQJUZQVQGY-WFASDCNBSA-N 286.379 1.720 0 50 CDAA Cc1cccc(C(=O)Nc2ccc(-n3cncn3)cn2)n1 252504569 VKWRHPMSRDLAJG-UHFFFAOYSA-N 280.291 1.618 0 50 CDAA COc1nccnc1CN[C@@H](CO)Cc1ccccc1 253425479 UCZXWMZGLHBTSS-CYBMUJFWSA-N 273.336 1.178 0 50 CDAA CC[C@@H]1C[C@H]1NC(=O)c1oc(-c2cnn(C)c2)nc1C 366704909 TZFLKCCHIWWMEP-MWLCHTKSSA-N 274.324 1.912 0 50 CDAA CC[C@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)C(OC)OC 585119685 PYDWDWLPHXKXEY-JTQLQIEISA-N 294.355 1.295 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)[nH]n1 263768172 DYAUFQJCNKJSMJ-SECBINFHSA-N 290.289 1.332 0 50 CDAA CNC[C@@H]1CCN(C(=O)Cc2ccc(OC)cc2C)C1 911776604 ADSKMXYNERFMRH-ZDUSSCGKSA-N 276.380 1.614 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCCC[C@@H]1C(=O)CC 901259460 LDGNORBPRLTPGM-GFCCVEGCSA-N 280.368 1.381 0 50 CDAA COc1cc(O)ncc1C(=O)N1CCC[C@@H]1c1ncc[nH]1 935207055 MZNICJXGQUGBKH-SNVBAGLBSA-N 288.307 1.496 0 50 CDAA CCO[C@@H]1COCC[C@H]1CC(=O)N1CCC[C@H](C(=O)O)C1 864098904 WWZDLMSXHWXARZ-RWMBFGLXSA-N 299.367 1.141 0 50 CDAA C[C@H](CN1CCCCC1)NC(=O)NCC1(N(C)C)CC1 864094031 ATJCXNUHTLWJKW-CYBMUJFWSA-N 282.432 1.254 0 50 CDAA Oc1ccc(-c2noc([C@H]3CCc4nn[nH]c4C3)n2)cn1 952893644 JPXHIJWVJWHIOC-ZETCQYMHSA-N 284.279 1.228 0 50 CDAA Cc1nc([C@H](C)S(=O)(=O)CCc2ccccc2)n[nH]1 1875279313 PABUVRTUDSAHDF-JTQLQIEISA-N 279.365 1.832 0 50 CDAA C[C@@H](c1nncn1C)n1cc(C(C)(C)NC(C)(C)C)nn1 1875281846 ACJOXVMLBODYFL-JTQLQIEISA-N 291.403 1.639 0 50 CDAA C[C@@H](C(=O)Nc1ccc(-n2nccn2)cc1)[C@H]1CCNC1 1875287329 FKRJLTDMNNXMLP-NEPJUHHUSA-N 285.351 1.451 0 50 CDAA C=CC(=O)NCCC(=O)N1Cc2cc(F)ccc2C[C@H]1C 1875365806 PTTMHSSVISRGIJ-LLVKDONJSA-N 290.338 1.791 0 50 CDAA CCC1(c2cn([C@@H]3CCN(C(=O)C4CC4)C3)nn2)COC1 1875344772 OQCCBBMIDKPJQW-GFCCVEGCSA-N 290.367 1.140 0 50 CDAA NC(=O)c1cccc(CN2CCN3CCC[C@H]3C2)c1 247226763 QWDRBUUCTIMLMF-AWEZNQCLSA-N 259.353 1.066 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)c1ncc2n1CCCC2 887539537 UNEWDTSVRXBRFH-UHFFFAOYSA-N 289.379 1.644 0 50 CDAA C[C@H]1CN(c2ccc3cc(Cl)cnc3n2)CC(=O)N1 894073219 UVPFLEDUVQGZIW-QMMMGPOBSA-N 276.727 1.608 0 50 CDAA CN1CCC(C)(CNCc2cc3n(n2)CCCO3)CC1 1775996890 LVAGTULVISZACB-UHFFFAOYSA-N 278.400 1.487 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)O)cc1Cl 129382626 NBPQRRHECYDIBC-LLVKDONJSA-N 297.738 1.964 0 50 CDAA CCCS(=O)(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 249695591 RFNYQIDRRWCEMC-RWMBFGLXSA-N 272.414 1.142 0 50 CDAA CCN1CCN(CC(=O)Nc2ccc(C)cc2)CC1 20608829 FLPNSUHCHYSIBW-UHFFFAOYSA-N 261.369 1.571 0 50 CDAA CO[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 154282221 IXPHFHJAAPGCIM-HUUCEWRRSA-N 274.364 1.338 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccc(C(=O)O)cc2)O1 155482775 QQQXSOPOCWNFTD-MFKMUULPSA-N 277.320 1.911 0 50 CDAA O=c1c2sccc2ncn1C[C@@H](O)c1cccnc1 32587275 WGFDUZQNIUTRJZ-LLVKDONJSA-N 273.317 1.587 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(CC(C)(C)C)n2C1 260267964 JMKUDZLJUWXYPF-SECBINFHSA-N 251.330 1.602 0 50 CDAA CCS(=O)(=O)N1CCN(C[C@H]2CC=CCC2)CC1 49573754 POBOSHPECWVQDW-ZDUSSCGKSA-N 272.414 1.310 0 50 CDAA O=S(=O)(Cc1ccccc1)N1CC[C@@H]2NCCC[C@@H]2C1 299788282 TZEGEJCWINGJHM-CABCVRRESA-N 294.420 1.590 0 50 CDAA Cc1nnc(CN2CCCC[C@@H]2CCCO)s1 299783044 YZQWHMKJOMIIRN-LLVKDONJSA-N 255.387 1.974 0 50 CDAA c1ccc(OCCN2CCO[C@@]3(CCOC3)C2)cc1 185208535 NBHWAPVONLFMCF-HNNXBMFYSA-N 263.337 1.557 0 50 CDAA CCNc1ccnc(N2CCC(NC(C)=O)CC2)n1 65507655 JPEQTMGHVPOPHP-UHFFFAOYSA-N 263.345 1.013 0 50 CDAA OCC1(O)CCN(c2cccc(C(F)(F)F)n2)CC1 67878108 GOZRQZOYYZAABW-UHFFFAOYSA-N 276.258 1.424 0 50 CDAA Cc1nn(C)c(C(=O)NC2(C(=O)O)CCC2)c1Cl 426444401 DCIAZROLVCQNHJ-UHFFFAOYSA-N 271.704 1.119 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)Cc1c(C)n[nH]c1C 636065282 QLISRKVPVFMPOV-UHFFFAOYSA-N 261.329 1.259 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCO[C@@H](C3CC3)C2)c(F)c1 335308356 YNWFJXRBBUAQBV-CYBMUJFWSA-N 299.367 1.934 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)c1cccc(C2CC2)c1 574583774 OCPYPUCIIHXFTH-ZDUSSCGKSA-N 275.304 1.490 0 50 CDAA Cn1nnc([C@@H]2CN(C/C=C/c3ccccc3)CCO2)n1 2100534443 IMDHTGRTQZLIAX-GPAKFWEMSA-N 285.351 1.297 0 50 CDAA C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)O 37736 ZUJQHSWZNUSBNZ-SSDOTTSWSA-N 256.331 1.744 0 50 CDAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CC1 47122 SGSZPLQJJYSMKG-UHFFFAOYSA-N 279.292 1.839 0 50 CDAA COc1cccc([C@H]2C(C(N)=O)=C(C)Nc3ncnn32)c1 71318 BZSINIQFTIAKJM-LBPRGKRZSA-N 285.307 1.061 0 50 CDAA CN(C)c1ccc(C(=O)N[C@@H]2CCSC2=O)cc1 318378 KAVSWZZQCJFTDI-LLVKDONJSA-N 264.350 1.515 0 50 CDAA CC1=NNC(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)C1 382773 MNRZATAXCVOLFN-SECBINFHSA-N 263.272 1.666 0 50 CDAA CCCc1nnc(SCc2ccc(C(=O)OC)o2)n1N 472300 YJWWSBGJWJNWKU-UHFFFAOYSA-N 296.352 1.616 0 50 CDAA CCOC(=O)c1nc[nH]c1C(=O)NCc1ccccc1 570572 QWGMBIBRDHIPPE-UHFFFAOYSA-N 273.292 1.516 0 50 CDAA CCc1nnc(NC(=O)CSc2ncccn2)s1 784468 WWZCMZJTOXFCAA-UHFFFAOYSA-N 281.366 1.621 0 50 CDAA CC(C)OC(=O)N[C@@H](O)C(Cl)(Cl)Cl 2141214 FFEQAEQESABLOR-BYPYZUCNSA-N 250.509 1.810 0 50 CDAA CN1CCC[C@]2(CCCN2Cc2nc(C3CC3)no2)C1=O 2356135890 XMIWDGBEEBOZKP-HNNXBMFYSA-N 290.367 1.534 0 50 CDAA COC1(CN(C)C)CCN(CCc2nccn2C)CC1 2356137296 JGHDPXDDDILDEF-UHFFFAOYSA-N 280.416 1.005 0 50 CDAA CCN(CC)C(=O)CNS(=O)(=O)c1ccc(C)cc1 2690281 FSBCZXCETIKJKZ-UHFFFAOYSA-N 284.381 1.142 0 50 CDAA CN(C(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 4278673 HILYJTVCZGRTAK-LLVKDONJSA-N 268.338 1.337 0 50 CDAA CC(=O)N1[C@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 4282385 FECARJHVTMSYSJ-NHCYSSNCSA-N 257.355 1.373 0 50 CDAA CCOc1ccc(N2C(=O)C[C@]3(CCN=N3)C2=O)cc1 4553213 PILVJSWRWHFUBV-CQSZACIVSA-N 273.292 1.943 0 50 CDAA COC(=O)c1ccc(NC(=O)CSCCO)cc1 4919636 QBDDYWXBMQZLTI-UHFFFAOYSA-N 269.322 1.137 0 50 CDAA CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1 6741866 PCSBCRGVRIMVFU-UHFFFAOYSA-N 279.340 1.547 0 50 CDAA O=C(O)CCn1c(-c2cccc3ccccc23)n[nH]c1=O 65396154 XSLITRDHQZNKRW-UHFFFAOYSA-N 283.287 1.866 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)C2CCN(C(C)C)CC2)[nH]n1 65494017 RPLQXNBWFAMGCA-LBPRGKRZSA-N 292.427 1.886 0 50 CDAA O=C(Nc1cnc2n1CCCC2)C1(Cn2ccnc2)CC1 67805087 KKTYRUPYDAPODO-UHFFFAOYSA-N 285.351 1.835 0 50 CDAA CNCc1n[nH]c(=O)n1-c1ccc(C)c(Cl)c1 65532575 ULACCYQWBMHHSX-UHFFFAOYSA-N 252.705 1.242 0 50 CDAA O=c1[nH]cnc2cc(I)ccc12 26894392 RZLRWRLAHJWOLF-UHFFFAOYSA-N 272.045 1.528 0 50 CDAA CN(C[C@@H]1CCCCO1)c1cc(NC2CC2)nc(N)n1 65380673 YOTJGUMSASOXAO-NSHDSACASA-N 277.372 1.638 0 50 CDAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1 67895808 YDBOTMUEGZMUCB-JTQLQIEISA-N 289.339 1.008 0 50 CDAA C[C@H]1CC[C@H](NC(=O)c2cc([C@H]3CCNC3)n[nH]2)CC1 279017205 OFSPKFLPXABVNE-SRVKXCTJSA-N 276.384 1.795 0 50 CDAA CCOC(=O)N1CCC(O)(c2ccccc2CCO)CC1 34530123 SRDFYDCDZHTOIY-UHFFFAOYSA-N 293.363 1.661 0 50 CDAA CCOc1ccc([C@H]2C=C(C(=O)O)NC(=O)N2)cc1 1396114 ABGBEPHREKEDJQ-SNVBAGLBSA-N 262.265 1.408 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)NN1CCCCC1 252515512 KUBZSGBRLLRUPQ-RDBSUJKOSA-N 293.411 1.541 0 50 CDAA COCc1cccc(C(=O)NCCCSC)n1 215586549 DYDQOIJZKFFXGS-UHFFFAOYSA-N 254.355 1.711 0 50 CDAA CC1CCN(CCCCNC(=O)C(=O)N2CCCC2)CC1 253407717 ILJVDVUEYVNZKF-UHFFFAOYSA-N 295.427 1.237 0 50 CDAA CN1CCN(C(=O)c2ccc(Cl)o2)C[C@H]1c1ncc[nH]1 328630386 PTPAPDHJUACMNG-VIFPVBQESA-N 294.742 1.785 0 50 CDAA NC[C@@H](c1ccccc1Cl)N1CC[C@H](C(=O)O)C1 35622879 YTGVQIOLIBQSHG-CABZTGNLSA-N 268.744 1.746 0 50 CDAA O=C(NCCCc1ccccc1F)[C@H]1CCOC1 216051068 GBWYNGVZJGMLIE-LBPRGKRZSA-N 251.301 1.911 0 50 CDAA Cc1nccnc1N1CCCN(C(=O)[C@H]2CCCO2)CC1 32541234 GWBLRAZUDSAJAW-CYBMUJFWSA-N 290.367 1.003 0 50 CDAA C[C@H](C(=O)NC(N)=O)N1CCC[C@H](Nc2ccccc2)C1 155000163 FHODOMIFICWBMN-YPMHNXCESA-N 290.367 1.146 0 50 CDAA Cn1ccnc1[C@H]1CCCN(Cc2ccc(C(N)=O)cc2)C1 365620621 CRPVBLPLPCWHRA-HNNXBMFYSA-N 298.390 1.899 0 50 CDAA Cc1csc(SCC(=O)NC[C@@H]2COCCO2)n1 215096424 OWIXRBAGALWYBS-SECBINFHSA-N 288.394 1.075 0 50 CDAA O=C(COCCc1ccccc1)N1CCC[C@@](F)(CO)C1 367862640 JHBMUXKTNBEKQA-INIZCTEOSA-N 295.354 1.569 0 50 CDAA CN1C(=O)C[C@H](C(=O)NCc2cncn2C)c2ccccc21 368196363 RZAIFMNEHDBHTB-ZDUSSCGKSA-N 298.346 1.187 0 50 CDAA CC(C)c1cc(C(=O)N2CC[C@@H](N)C[C@@H]2C)nn1C 236601610 XETVYTDVEHIGHK-WDEREUQCSA-N 264.373 1.495 0 50 CDAA CC(C)c1cc(CNC(=O)N2CC[C@H](CN(C)C)C2)on1 130007235 MMGABJGQOQOZLU-GFCCVEGCSA-N 294.399 1.891 0 50 CDAA CC[C@@]1(O)CCN(Cc2csc(C)n2)C[C@H]1O 72419716 DDZJFZNKJQMRSR-VXGBXAGGSA-N 256.371 1.159 0 50 CDAA CCC1(CC)[C@H](NC(=O)[C@@H](N)C2CCOCC2)C[C@H]1OC 262117168 WBFAVGUESWCDPL-MCIONIFRSA-N 298.427 1.450 0 50 CDAA CNC(=O)[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 333002926 VYDMJJAZEDLIKH-KJWHEZOQSA-N 292.423 1.838 0 50 CDAA O=C(Nc1ccc2n[nH]cc2c1)[C@@H]1CCc2nccn2C1 373596842 OLWJWADVZILSLN-SNVBAGLBSA-N 281.319 1.961 0 50 CDAA CC[C@@H](C(=O)N1CC2CCC1CC2)N1CCCC1=O 378472040 HEWWGUFMGIOZEE-BPCQOVAHSA-N 264.369 1.788 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 237368881 DHVFRQAMIFCFJN-OCCSQVGLSA-N 299.378 1.467 0 50 CDAA Cc1nc(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)cs1 72425547 UURWFVSOQRHPHY-SECBINFHSA-N 294.298 1.784 0 50 CDAA O=C1NC2(CCCCCCC2)C(=O)N1CC1(CO)COC1 158956670 PEDXICWELBWYOW-UHFFFAOYSA-N 296.367 1.030 0 50 CDAA C1C[C@@H]2[C@@H]3C[C@H](C[C@@H]3N[C@H]3CCc4nnnn4CC3)[C@H]2C1 333844873 MBLHLUDFYNGSEH-QZOBBIQNSA-N 287.411 1.792 0 50 CDAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77375574 ANJGZINBFDHMKJ-SNVBAGLBSA-N 289.339 1.096 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)c1ccc2nccn2c1 221171430 SEJLUEZDZLAIME-UHFFFAOYSA-N 283.335 1.647 0 50 CDAA CC[C@H](C)[C@H](O)CNC(=O)c1nnc2ccccc2n1 281352771 VPQLXZCOCIZRGL-JOYOIKCWSA-N 274.324 1.162 0 50 CDAA CCC(=O)N1CC[C@H](NS(=O)(=O)CCC(C)(C)C)C1 133139091 KTXXHJNDBVRNEQ-NSHDSACASA-N 290.429 1.353 0 50 CDAA CCN(C(=O)c1ccc2nc(C)ccc2c1)[C@H]1CCNC1=O 282941795 GWRYFPMFTVEYFR-HNNXBMFYSA-N 297.358 1.894 0 50 CDAA CN(C)c1ccnc(C(=O)NCC(=O)c2cccs2)c1 133358033 HSTRLIIQXLIAHQ-UHFFFAOYSA-N 289.360 1.822 0 50 CDAA C[C@@H](C(=O)O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 263516247 ACKFICRDIYQREF-GHMZBOCLSA-N 294.326 1.631 0 50 CDAA Cc1cccnc1OC1CCN([C@H]2CCNC2=O)CC1 284318984 POVVCZHYFLNAIE-ZDUSSCGKSA-N 275.352 1.122 0 50 CDAA Cc1[nH]ncc1CCCNC(=O)c1noc2c1CCCC2 263925775 AQEGRMGBSXGJRX-UHFFFAOYSA-N 288.351 1.948 0 50 CDAA Cc1cnc(CNC(=O)CCN2CCCCC2)c(C)c1O 223795362 VDESSPUAEMNTEV-UHFFFAOYSA-N 291.395 1.896 0 50 CDAA Cc1nc(N)nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c1Cl 223198407 PZOHCIJEFRTQOD-APHKKCJPSA-N 297.790 1.150 0 50 CDAA O=C(Cc1ccccn1)N1CCOC2(CCCC2)C1 221341072 CTDRNZDVNLKEIZ-UHFFFAOYSA-N 260.337 1.796 0 50 CDAA COC(=O)c1n[nH]cc1NC(=O)c1ccc2c(c1)CCO2 527253353 UCJFVBXGRDGRGN-UHFFFAOYSA-N 287.275 1.384 0 50 CDAA Cc1nn(C)c2nc(N(C)CCc3cnn(C)c3)sc12 95506503 GMSUWZCJKVSMHW-UHFFFAOYSA-N 290.396 1.751 0 50 CDAA CC(C)N1CCC[C@]2(CCN(CCCC(=O)O)C2)C1=O 91391184 JXMUHRLPIBLOKL-OAHLLOKOSA-N 282.384 1.574 0 50 CDAA CCCn1nccc1-c1cc(C)nc(N2CCOCC2)n1 426382832 XYWBALXECBQASH-UHFFFAOYSA-N 287.367 1.895 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)c1cc(OC)ccn1 426538394 OTITUZFWOVFZTO-JTQLQIEISA-N 289.339 1.583 0 50 CDAA COCCC[C@@H]1CCCN(C(=O)CCc2nncn2C)C1 91381679 RNPKFQGRAIFEKG-ZDUSSCGKSA-N 294.399 1.413 0 50 CDAA CCN1C[C@@H](NC(=O)c2ccncc2Cl)CC1=O 335433512 BVBWKFSNPCLHRW-QMMMGPOBSA-N 267.716 1.086 0 50 CDAA O=C1CCN(Cc2c[nH]c(CC3CCCC3)n2)CCN1 97551387 ZTIFLAWXAZLMRU-UHFFFAOYSA-N 276.384 1.464 0 50 CDAA O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)cc(F)c1 247468231 DJGNYVXWWYTLQX-UONOGXRCSA-N 296.317 1.558 0 50 CDAA CC[C@@H](Nc1cc(C)nc(-c2ccccn2)n1)C(N)=O 292242195 GMNUBMDKHVRUNM-SNVBAGLBSA-N 271.324 1.523 0 50 CDAA CN1C[C@H](C(=O)N2CCC[C@H]3CCC[C@H]32)CC1=O 246742138 IUJXILVMXUVTNM-IJLUTSLNSA-N 250.342 1.256 0 50 CDAA CN1CCN2CCN(Cc3ccc4[nH]ccc4c3)C[C@H]2C1 244874258 WXNUPSQUGQXIEI-MRXNPFEDSA-N 284.407 1.600 0 50 CDAA Cc1cccc(S(=O)(=O)Nc2ccc3nncn3c2)c1 181079410 WZXOISVAJYVRFF-UHFFFAOYSA-N 288.332 1.839 0 50 CDAA CCOc1ccc(NC(=O)[C@H]2CC[C@@H]2C(N)=O)nc1C 620647256 XTAKHBUHGAXQKB-UWVGGRQHSA-N 277.324 1.239 0 50 CDAA COc1cc(C)c(S(=O)(=O)n2cncn2)cc1C 252490016 KHKXGDJZFFEZAI-UHFFFAOYSA-N 267.310 1.141 0 50 CDAA Cc1cccc([C@@H](CNC(=O)c2cc(=N)[nH][nH]2)N(C)C)c1 534646029 YXQRIVABEKMPPI-CYBMUJFWSA-N 287.367 1.163 0 50 CDAA Cc1cnc([C@H](C)NC(=O)c2nn(C)c3c2CCCC3)[nH]1 534675414 ZJJPXONLRZQJFU-JTQLQIEISA-N 287.367 1.821 0 50 CDAA COCC1(CNS(=O)(=O)N2CCCC2)CCCC1 452046231 KCCXXUQLLGJDGF-UHFFFAOYSA-N 276.402 1.123 0 50 CDAA CCc1nn2c(c1C(N)=O)N[C@@H](c1ccccc1)C2 263615398 CEYDMJWTXKQKSU-LLVKDONJSA-N 256.309 1.711 0 50 CDAA O=C(CN1CCOCC1)N1CC[C@@H](C2CCCCC2)C1 618185252 OQUTXXYFNHRZOH-OAHLLOKOSA-N 280.412 1.747 0 50 CDAA CN(C)S(=O)(=O)NCCCc1ccccc1F 360386314 XCFWUVBNXWVTRI-UHFFFAOYSA-N 260.334 1.154 0 50 CDAA C[C@@H](CC(=O)NC1(C(N)=O)CCCCCC1)n1ccnc1 299795214 LNRJZZACJFZRNF-LBPRGKRZSA-N 292.383 1.529 0 50 CDAA COc1ncncc1CN1C[C@H]2CCCCN2C[C@@H]1C 648009804 YFHQDKPVURDEDP-GXTWGEPZSA-N 276.384 1.544 0 50 CDAA Cc1nc([C@H](C)NC(=O)CCC(=O)O)c(C)s1 299800026 URTUHJLVAVDQLS-LURJTMIESA-N 256.327 1.802 0 50 CDAA CCC1(C(=O)O)CCN(CC(C)(C)N2CCOCC2)CC1 822687507 MTNVTEMYKKAERV-UHFFFAOYSA-N 298.427 1.674 0 50 CDAA COc1ccc(CN2CCC[C@@H](O)CC2)cc1C(=O)O 584900345 NOWKPDZXWGYEQZ-GFCCVEGCSA-N 279.336 1.740 0 50 CDAA C[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(C(=O)O)cc1 585135049 VNILDGCSCPCLKY-AWEZNQCLSA-N 277.276 1.464 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)c1cc(C(C)C)nc(N)n1 827587200 ZDALIFHVJJZMFI-UHFFFAOYSA-N 288.355 1.452 0 50 CDAA Cc1ncn(C)c1C(=O)N1CCN(Cc2ccccn2)CC1 584902938 WVXJIHDRWLGHPN-UHFFFAOYSA-N 299.378 1.082 0 50 CDAA Cc1ccccc1C1(NC(=O)CCn2nnnc2C)CC1 584890338 LDHYCJOXMXCECB-UHFFFAOYSA-N 285.351 1.486 0 50 CDAA CN1CCC(O)(CN[C@@H]2CCN(c3ccccc3)C2)CC1 584900415 YHTZMZOMHBMLPC-OAHLLOKOSA-N 289.423 1.312 0 50 CDAA CC[C@@H](NC(=O)Cn1ccnc1C)c1ncc(C)[nH]1 670437960 PQBDLFVIGVHBNK-LLVKDONJSA-N 261.329 1.491 0 50 CDAA CC(C)c1cc(CN(C)C(=O)CNC(=O)N(C)C)no1 584886402 HECDHSFVLRNZPF-UHFFFAOYSA-N 282.344 1.028 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)[C@@H]1COc3ccccc3O1)CC2 670453071 ILSMMTYISPTTAI-HNNXBMFYSA-N 299.330 1.443 0 50 CDAA CCCc1nc(CN(C)Cc2cnc(N)s2)no1 670447249 VQVYCVZXMGRWSX-UHFFFAOYSA-N 267.358 1.693 0 50 CDAA COc1cccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1C 1074618317 SUPSPHLJCLTZFA-OUCADQQQSA-N 261.321 1.911 0 50 CDAA CCn1ccc(CN[C@@H]2CCCN(C(=O)C(C)C)C2)n1 952966316 IAFSEGSXDLTAHB-CQSZACIVSA-N 278.400 1.640 0 50 CDAA Cn1ccnc1CNCCc1nc(-c2ccccn2)no1 952970867 UBQVGLQISQCLKA-UHFFFAOYSA-N 284.323 1.197 0 50 CDAA Cn1cnc([C@H]2CN(C(=O)NC3CCCCC3)C[C@@H]2N)c1 1551951959 VXUUBQVBVPYVAZ-STQMWFEESA-N 291.399 1.189 0 50 CDAA O=C(O)CCNC(=O)c1ccnc(-n2cccc2)c1 1570980637 YGGQOIMXIOVGRA-UHFFFAOYSA-N 259.265 1.077 0 50 CDAA Cc1csc([C@H](C)NC(=O)c2cc(N)n[nH]2)n1 80640004 GQEACFBFDCRGJJ-LURJTMIESA-N 251.315 1.248 0 50 CDAA O=C(N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1cnn(C2CC2)c1 630215046 SFRJSXHIMOSTNO-FIDNZITISA-N 289.335 1.447 0 50 CDAA Cn1nncc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O 408056678 KFNWESDUEYZBFZ-LALPHHSUSA-N 292.383 1.361 0 50 CDAA CC(C)c1ccc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)nc1 408470334 QQJFZGOKCNYPFN-BXUZGUMPSA-N 278.352 1.427 0 50 CDAA CC1(CNC(=O)N2CCN(c3cnccn3)CC2)CCC1 170022823 VZDJKBPWGRTBFJ-UHFFFAOYSA-N 289.383 1.498 0 50 CDAA C[C@@H](NCC(=O)N(C)c1ccccc1)[C@H]1CCCO1 170077366 RZCAUXHNAACWJN-TZMCWYRMSA-N 262.353 1.807 0 50 CDAA CCOC(=O)[C@@H]1CCC[C@H](CN2CCOCC2)C1 170598152 VNKKVHGDFIUXRH-QWHCGFSZSA-N 255.358 1.688 0 50 CDAA O=C(NCCc1cccnc1)Nc1ccc(F)cn1 187892019 YMLFJVBDIFWWSM-UHFFFAOYSA-N 260.272 1.980 0 50 CDAA CCOC(=O)C1(C(=O)N2CC(C)(C)OC(C)(C)C2)CC1 189547067 ZIOGTIBDCRDJCJ-UHFFFAOYSA-N 283.368 1.746 0 50 CDAA Cc1cnc(CN2CCNC(=O)[C@H]2CC(C)C)s1 189843198 OZWZJVZDHJGNJD-LLVKDONJSA-N 267.398 1.798 0 50 CDAA O=C(NCc1cnc(O)[nH]1)c1cc2ccccn2c1 647739971 KGPBTWXBXIJGFS-UHFFFAOYSA-N 256.265 1.298 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1CC[C@@H]1C(F)(F)F 647754456 YSZBPFXUVNMQGD-MRVPVSSYSA-N 261.247 1.814 0 50 CDAA Cc1nnc(CCNC(=O)[C@@H]2CCCN2C2CC2)s1 562219590 WEYYPNOYNDUPFL-NSHDSACASA-N 280.397 1.132 0 50 CDAA Cn1ncc2c(Nc3ccc4c(c3)CNCC4)ncnc21 576731582 HZYGFVRRCRNPBB-UHFFFAOYSA-N 280.335 1.753 0 50 CDAA CC1(c2nccc(=NC(=O)COC[C@@H]3CCCO3)[nH]2)CC1 585079588 OXNXFAHYZQFELD-NSHDSACASA-N 291.351 1.084 0 50 CDAA C[C@@H]1CC(=O)C[C@@H](C2CC2)N1C(=O)COC[C@@H]1CCCO1 585125611 YRILBWVXUOJTCP-UGFHNGPFSA-N 295.379 1.541 0 50 CDAA Cc1cc(F)cc(CN2CC[C@H](CO)[C@@H](O)C2)c1 1143580693 SKNYDQHAKUYVNB-OCCSQVGLSA-N 253.317 1.309 0 50 CDAA OCCNc1cc(Cl)nc(I)n1 1615549798 JHGGXCCNBYCENY-UHFFFAOYSA-N 299.499 1.139 0 50 CDAA Nc1ncc(C(=O)N2CCC(C3(O)CC3)CC2)s1 1772804843 FSBORTGJXLQNCY-UHFFFAOYSA-N 267.354 1.102 0 50 CDAA CCn1ccnc1CN(C)Cc1ccc(N(C)C)nc1 215027917 KCNMODKHRMZLBU-UHFFFAOYSA-N 273.384 1.996 0 50 CDAA CNC(=O)C[C@@H]1CCN(c2ccc(Cl)cn2)C1 1506413626 JUOURAWSYRGUKJ-VIFPVBQESA-N 253.733 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1.473 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)N(CCO)CCO)c(C)c1 534588494 WJZQZVZENSMJGL-CYBMUJFWSA-N 280.368 1.361 0 50 CDAA C[C@H]1C(=O)N([C@H]2CCc3cc(O)ccc3C2)C(=O)N1C 629468142 LHGBATJBHMPGIK-CABZTGNLSA-N 274.320 1.532 0 50 CDAA O=C(CN1CCOC1=O)Nc1n[nH]c2c(F)cccc12 1940193416 AZKRZPZHWXCTEY-UHFFFAOYSA-N 278.243 1.093 0 50 CDAA Cc1nc(NC(=O)c2ccc3c(c2)OCCO3)ns1 1940197191 YFPVHPFVWLISON-UHFFFAOYSA-N 277.305 1.870 0 50 CDAA CCn1cc(NC(=O)NCCc2csc(N)n2)c(C)n1 299801934 ZEQPIMNHNLLSRR-UHFFFAOYSA-N 294.384 1.614 0 50 CDAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc[nH]1 299788145 WZTYVZWABUWCAC-UHFFFAOYSA-N 290.367 1.425 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)CCN1CCCCCC1=O 823628185 FXQZGVFLMDYIPE-ZDUSSCGKSA-N 282.384 1.274 0 50 CDAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@@H](O)CC1 584886161 SPYULYVFLROXOP-LLVKDONJSA-N 283.755 1.962 0 50 CDAA Cc1ccc(CN2C[C@H]([C@H](C)O)NC[C@@H]2[C@H](C)O)cc1F 585657556 LOAGMTIBSYNWDE-YXAMBPQSSA-N 296.386 1.038 0 50 CDAA COCC1(Cn2cnc3cccnc3c2=O)CCCC1 584894917 DIUPKTRQBZUFSA-UHFFFAOYSA-N 273.336 1.998 0 50 CDAA CCOC(=O)N1CCC(NCCc2noc(CC)n2)CC1 584886475 WCBGSJZATPGERO-UHFFFAOYSA-N 296.371 1.385 0 50 CDAA COc1cccc(SCC(=O)NCc2nnc(C)o2)c1 590319574 PCKWKACRIDQFNK-UHFFFAOYSA-N 293.348 1.795 0 50 CDAA CCn1ccc(CN2CC[C@H](O)CC(C)(C)C2)n1 670469208 BSOYRSRWRXFQSU-ZDUSSCGKSA-N 251.374 1.886 0 50 CDAA CC(C)(C)OC(=O)c1ccc(-n2nnnc2S)cc1 168153266 KBVKZLPGIMWGAS-UHFFFAOYSA-N 278.337 1.906 0 50 CDAA O=c1cc(N2CCC2)nc(O)n1Cc1ccc(F)cc1 1875293839 DXSJJOZQDSCCGW-UHFFFAOYSA-N 275.283 1.346 0 50 CDAA Cc1nc(S(=O)(=O)N[C@@H](C)CO)c(-c2ccccc2)o1 1875289903 XEPOFDXNATVOHV-VIFPVBQESA-N 296.348 1.309 0 50 CDAA CC(C)c1ccc(CC(=O)N[C@]2(CO)CCCNC2)cc1 1875305137 IDBWRBUGWGFDIK-QGZVFWFLSA-N 290.407 1.583 0 50 CDAA CN1CCN(C(C)(C)CNC(=O)[C@@H]2CC2(C)C)CC1 952981405 IBJJLUWQJPJVJI-LBPRGKRZSA-N 267.417 1.175 0 50 CDAA Cc1ncc(C(=O)N2CCOc3ccccc3[C@@H]2CO)[nH]1 887109913 VVOWGROROZJXIB-ZDUSSCGKSA-N 287.319 1.286 0 50 CDAA Cc1ccc(NC(=O)CN2CCOCC2)cc1F 19852204 CTVPFTNNAJNXNO-UHFFFAOYSA-N 252.289 1.405 0 50 CDAA CC(C)n1cc(S(=O)(=O)N(C)c2ccn(C)n2)cn1 274704790 XGXQFFNZCRHJBH-UHFFFAOYSA-N 283.357 1.023 0 50 CDAA CO[C@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 275485610 JJRRBPXEIDPYJH-MELADBBJSA-N 293.367 1.135 0 50 CDAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@H]1CCCOC1 275589105 JUWHKHARBNDVOG-SOUVJXGZSA-N 290.363 1.845 0 50 CDAA COc1ccnc(N(CC2CC2)C[C@@H]2CN(C)CCO2)n1 275756313 QNOPXVNJTPKUAR-ZDUSSCGKSA-N 292.383 1.032 0 50 CDAA CCOC(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 95743356 YFFMJGAVWORNIZ-HBNTYKKESA-N 287.356 1.604 0 50 CDAA in-vitro C[C@]1(NC(=O)Nc2cnns2)CCO[C@H]1C1CC1 277066102 KOVNRQIHGANIGT-ONGXEEELSA-N 268.342 1.617 0 50 CDAA CC(C)Cn1ccnc1CN1C(=O)[C@H]2CCCN2C1=O 170592645 LFGZPCNPTBGCAF-LLVKDONJSA-N 276.340 1.466 0 50 CDAA COCCO[C@H]1CCN(C(=O)NCc2ccco2)C1 186908490 PGYHYGFQDJUSTG-LBPRGKRZSA-N 268.313 1.227 0 50 CDAA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 42378186 IEBQNFQQCBJTBR-NSHDSACASA-N 253.346 1.002 0 50 CDAA C[C@@H]1CN(C(=O)c2cc(-n3ccnc3)ccn2)[C@H](C)CN1C 408144385 JUYHZWCVCBFUIG-CHWSQXEVSA-N 299.378 1.432 0 50 CDAA Cn1ccc(C(=O)NCCNC2CCCCCC2)cc1=O 225349005 QMAFZTKTCLPGCS-UHFFFAOYSA-N 291.395 1.428 0 50 CDAA O=C(NCCCNc1ccccn1)N1CC(O)(C2CC2)C1 225682369 IVAYNCQOPBTEAG-UHFFFAOYSA-N 290.367 1.050 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2CC(=O)NC2CC2)c1 282411638 YGPMJQVLUPNBRQ-DZGCQCFKSA-N 290.363 1.082 0 50 CDAA CC[C@H](O)C(=O)OCc1cc2ccccc2[nH]c1=O 225842383 GPEXUPRMVRBFPD-LBPRGKRZSA-N 261.277 1.342 0 50 CDAA O=C(C[C@@H]1CCCO1)N[C@H](C(=O)O)c1ccccc1 112493819 SKKCJQMKANTBCP-AAEUAGOBSA-N 263.293 1.498 0 50 CDAA O=C(N=c1cccn[nH]1)N1CC[C@@H](C2CCCC2)C1 643261918 LOPVVEIERKGGMP-GFCCVEGCSA-N 260.341 1.943 0 50 CDAA CCN1C[C@@H](Nc2ncnc3ccc(F)cc23)CC1=O 649455612 MDPNUYOIJJHQPD-JTQLQIEISA-N 274.299 1.802 0 50 CDAA CCn1cc(CNC(=O)c2cn(C)nc2-c2ccco2)cn1 668777675 UKRZOQNYUHKYFY-UHFFFAOYSA-N 299.334 1.827 0 50 CDAA Cc1c(CNC(=O)[C@H]2CCN(C)c3ccccc32)cnn1C 584908266 RSILRVVRTHBRQJ-HNNXBMFYSA-N 298.390 1.968 0 50 CDAA CNCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1O 585095640 QIMKQSJOLAMZGY-UHFFFAOYSA-N 292.314 1.056 0 50 CDAA Cc1cc(NC2CC(N3CCOCC3)C2)nc(C)n1 585092420 WCPKAZFJKVXSHW-UHFFFAOYSA-N 262.357 1.369 0 50 CDAA CCCCCOCC(=O)NCC(C)(C)n1ccnc1 585127635 GCOLMSPLWJRMBY-UHFFFAOYSA-N 267.373 1.941 0 50 CDAA Cc1[nH]c(-c2ccncc2)nc(=NCCc2cnn[nH]2)c1C 734995577 LOLNKDLCJAGRPW-UHFFFAOYSA-N 295.350 1.350 0 50 CDAA Cc1cccc(COC(=O)c2c(O)nnc(C)c2C)n1 770635699 HGYJYDYJQKIIBG-UHFFFAOYSA-N 273.292 1.859 0 50 CDAA CCC1CCN(S(=O)(=O)NCc2ocnc2C)CC1 907597025 LECJAULFCYVKBT-UHFFFAOYSA-N 287.385 1.439 0 50 CDAA Cc1cccc(NC(=O)CC(=O)N[C@@H]2CC[C@@H](N)C2)c1 1506416565 CKNNSKFKWVEOSE-DGCLKSJQSA-N 275.352 1.320 0 50 CDAA Cc1nc(N)nc(N2CCC[C@H](N(C)C)C2)c1Cl 1506411151 WZXWXAXQEZLION-VIFPVBQESA-N 269.780 1.551 0 50 CDAA Cn1ccnc1C(=O)N[C@H](c1ccccn1)C(F)(F)F 1857691290 DDUUPCSMTOTSGJ-SECBINFHSA-N 284.241 1.849 0 50 CDAA CN(C(=O)c1c(Cl)cnn1C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529150922 BFGDJECSSQGGRS-DTIDVZRVSA-N 297.786 1.695 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)CCN1CCOCc1ccccc1 210109005 ZJJNVWSUQGYAOT-CABCVRRESA-N 293.363 1.202 0 50 CDAA Cc1cc(CC(=O)N2CCCC[C@H]2[C@@H](C)N)no1 237355021 YTKARWALZJBZIX-PWSUYJOCSA-N 251.330 1.254 0 50 CDAA CN(C)C(=O)[C@@H]1CC[C@@H](N)[C@@H](NC(=O)OC(C)(C)C)C1 238310886 JCHIBKSSZNWERE-MXWKQRLJSA-N 285.388 1.095 0 50 CDAA CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 12420543 DNOFBEKGKDBZIF-UHFFFAOYSA-N 298.408 1.412 0 50 CDAA Cc1cc(CC(=O)NCc2cn3ccncc3n2)cc(C)n1 1800412309 XTCGMMCEXZEXMS-UHFFFAOYSA-N 295.346 1.600 0 50 CDAA COCc1cc(C(=O)NCc2occc2C)no1 343627097 PFVAEHKEUKHKMM-UHFFFAOYSA-N 250.254 1.652 0 50 CDAA C[C@@H]1CCN(C(=O)[C@@]2(O)C[C@H]3CC[C@H]2C3)CCS1 1615586445 ODCHPEQVUDPLMB-OWTLIXCDSA-N 269.410 1.892 0 50 CDAA COc1cc(-c2ccc(=O)n(CC(=O)O)n2)ccc1F 1738810128 GWGNXEYWCZSSRI-UHFFFAOYSA-N 278.239 1.143 0 50 CDAA CC(C)c1cc(C(=O)NCc2[nH]nc3ncccc23)no1 1775980817 BSIWBGLJYYICHA-UHFFFAOYSA-N 285.307 1.999 0 50 CDAA CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)cc1 13122428 CFHIXJGXYPIYRW-NSHDSACASA-N 285.307 1.363 0 50 CDAA COc1ccc(CN2CCOCC2)c(OC)c1C 16663126 BCWZIMOHLBMHLN-UHFFFAOYSA-N 251.326 1.844 0 50 CDAA CC(C)(CNC(=O)C(=O)c1cccs1)N1CCOCC1 19147808 GBEIWDKPUBWETP-UHFFFAOYSA-N 296.392 1.158 0 50 CDAA COC(=O)/C(=C/c1c(C)cc(O)cc1C)NC(C)=O 169620362 ZUZHKCUJIWMMFX-QPEQYQDCSA-N 263.293 1.659 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccc2cc[nH]c2c1 169980452 VEFWJJSXIVBSPW-UHFFFAOYSA-N 261.130 1.422 0 50 CDAA CN(CCn1cnc2ccccc21)c1ccc(C(=O)O)nn1 1857692842 WUACZFKOFVKXIU-UHFFFAOYSA-N 297.318 1.661 0 50 CDAA Cc1nccc(-c2nccn2CC2(CO)CCOCC2)n1 1857695808 YSBGQXOAPOTDBX-UHFFFAOYSA-N 288.351 1.438 0 50 CDAA CCc1nc(N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)ncc1C 1857721680 AXBHPHDNDTYUKT-KLZCAUPSSA-N 289.379 1.324 0 50 CDAA CCN(C(=O)c1c(Cl)n[nH]c1C)c1cnn(C)c1 912064822 VFYBSMPXUHPRGK-UHFFFAOYSA-N 267.720 1.772 0 50 CDAA CS[C@@H](C)CNC(=O)[C@@H]1NCCc2ccccc21 136172457 UMOVNOLSZYBACU-GXFFZTMASA-N 264.394 1.741 0 50 CDAA COC(=O)C1CCN(c2nc(Cl)c(C=O)s2)CC1 2507511 ALFXRLGWNCUESD-UHFFFAOYSA-N 288.756 1.998 0 50 CDAA in-vitro O=C(Nc1ccc(Cc2nnn[nH]2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 225485598 JJYZBBZRWYULTP-JHJVBQTASA-N 299.334 1.297 0 50 CDAA CCC[C@@](C)(CO)NC(=O)c1cccc2nn[nH]c12 119134967 IZLOTYPIAYMVOC-ZDUSSCGKSA-N 262.313 1.239 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@@H]1C[C@@H]1C 229712264 QRXJNZGSPADKKY-WUFAPUTGSA-N 251.326 1.346 0 50 CDAA O=C(O)CCN(C(=O)CCC(F)(F)F)C1CCOCC1 238062190 UMRXQRHKVZNYQQ-UHFFFAOYSA-N 297.273 1.811 0 50 CDAA O=C(O)CNC(=O)C1(c2cccc(Cl)c2)CCOCC1 238164372 UQJWTWYRLOVBFR-UHFFFAOYSA-N 297.738 1.589 0 50 CDAA CC(=O)NCc1ccc(C(=O)N[C@H]2COCC2(C)C)cc1 456508358 CHOFRWRHCQJXDH-AWEZNQCLSA-N 290.363 1.478 0 50 CDAA C[C@@H]1CCNCC[C@H]1NCc1nncn1-c1ccccc1 563951024 HRZSDDOJLISISH-UKRRQHHQSA-N 285.395 1.745 0 50 CDAA C[C@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@@H](C)N1 154141168 OVJBBFJMLBVGIF-UPJWGTAASA-N 261.369 1.784 0 50 CDAA C[C@]1(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)CCOC1 163920095 BNWJUMVAPNHEOT-OCCSQVGLSA-N 294.355 1.363 0 50 CDAA C[C@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1c[nH]ccc1=N 902436204 YACYYDCHVRNMSM-AMKSKSKJSA-N 268.364 1.769 0 50 CDAA Cc1ccc(N(C)C(=O)c2c3c(nn2C)CCC3)nn1 903639106 WTMLBQSWEBSXJC-UHFFFAOYSA-N 271.324 1.284 0 50 CDAA Cc1nn(C[C@H]2CCCO2)c(C)c1[C@@H]1COCCN1C 852962524 GZKYNDSIYJHHRF-KGLIPLIRSA-N 279.384 1.682 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 861404410 UUCPMNVQWCAPNN-QWHCGFSZSA-N 276.311 1.442 0 50 CDAA CN(Cc1nc(-c2ccccn2)no1)[C@H]1CCOC1 12718365 CRKVGYCBJRDHOS-JTQLQIEISA-N 260.297 1.352 0 50 CDAA C[C@@H](Oc1cccc(F)c1)C(=O)N1CC[C@@H](N)C1 237528728 TVBOYXNJZCGSMW-MWLCHTKSSA-N 252.289 1.153 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 262319999 VNDCTYLDVDLZNF-BNOWGMLFSA-N 276.384 1.981 0 50 CDAA CN(C(=O)c1ccn([C@H]2CCCNC2)n1)[C@@H]1CCSC1 275400871 BANOWKMGXXHIKO-NWDGAFQWSA-N 294.424 1.385 0 50 CDAA CN(C)[C@@H]1CCCN(Cc2cccc3nccn23)C1 180011766 ZPDSVMPRVTVTSD-CYBMUJFWSA-N 258.369 1.860 0 50 CDAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H]2COCC[C@H]21 408069464 BNLALBUQPSQRKM-YVECIDJPSA-N 281.352 1.213 0 50 CDAA 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COc1cccc(OC)c1Cn1cnc2ccncc2c1=O 32553460 IBRFBCIBMTZCTL-UHFFFAOYSA-N 297.314 1.857 0 50 CDAA CC(C)c1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)no1 252535816 GYMNSFPBMAJEAN-SNVBAGLBSA-N 277.324 1.245 0 50 CDAA CC(C)Oc1ccc([C@H](CC(=O)O)n2cnnn2)cc1 1235066 XCZNTVSVPYVPAR-LBPRGKRZSA-N 276.296 1.524 0 50 CDAA O=C(NCc1cnc[nH]1)C1(c2cccnc2)CCCC1 362819471 FMNJGWFUUDKVQW-UHFFFAOYSA-N 270.336 1.933 0 50 CDAA CCSc1ncc(CN(C)C[C@H]2COCCO2)cn1 215558987 OWJXTJIEHBEWSP-LBPRGKRZSA-N 283.397 1.436 0 50 CDAA CC/C=C/CCN1CCS(=O)(=O)C[C@@H]1c1cnn(C)c1 253417512 XLXMXZJANSMZMG-ISZGNANSSA-N 297.424 1.548 0 50 CDAA C[C@H]1CC[C@@H](C(=O)NCCc2nc(C(=O)O)cs2)O1 157956833 WSBVPWYXNGSNPK-CBAPKCEASA-N 284.337 1.068 0 50 CDAA NC(=O)[C@@H]1CCN(C(=O)/C=C/c2nc3ccccc3o2)C1 253417046 IGDHJCMARQWKIP-BRAIEQGRSA-N 285.303 1.175 0 50 CDAA CNC(=O)c1ccc(CN(C)CC2(C(=O)OC)CC2)cc1 253433486 XNKWXWCLYOEQFR-UHFFFAOYSA-N 290.363 1.431 0 50 CDAA CCOC(=O)[C@H](C(C)=O)[C@H](NC(C)=O)c1ccccc1 71771093 GMHTZOWJZBVCAF-ZIAGYGMSSA-N 277.320 1.632 0 50 CDAA CS(=O)(=O)C1(C(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)CCC1 329338757 NHEIGRLSBVKKQX-WUHRBBMRSA-N 297.420 1.458 0 50 CDAA CC(C)N1C[C@H](N2C(=O)C3(CCCC3)N=C2O)CC1=O 329478400 OQTQIFAFWSXXCV-SNVBAGLBSA-N 279.340 1.065 0 50 CDAA OC(C[C@@H]1CNCCN1)(c1ccccc1)c1ccccc1 71771311 ZBTILVNCHKEHME-QGZVFWFLSA-N 282.387 1.874 0 50 CDAA CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccncc1O 218961468 FGXCGCSWJLEVRB-UHFFFAOYSA-N 288.351 1.819 0 50 CDAA O=C(c1cn[nH]c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 170781665 ZQQAGTYNAJMAOW-ZDUSSCGKSA-N 293.273 1.902 0 50 CDAA CN(C)[C@@H](C(=O)N1CC(O)(C2CC2)C1)c1ccccc1 364045616 VKVUNUKLJBLHBW-CQSZACIVSA-N 274.364 1.273 0 50 CDAA COc1ccc(CNC(=O)C2(C(=O)O)CC2)cc1C 154849416 IPRJUERDEIFNIZ-UHFFFAOYSA-N 263.293 1.485 0 50 CDAA O=C(O)[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)CCN1 71416176 FDNLDRSCSDDXNG-ZDUSSCGKSA-N 292.383 1.316 0 50 CDAA COC[C@H](NC(=O)Cc1csc(C)n1)c1ccnn1C 72411718 BXLNTXPSFVZTPY-NSHDSACASA-N 294.380 1.231 0 50 CDAA CN1C[C@]2(CCCN(Cc3cccnc3N)C2)OC1=O 72474551 KWXCXTSSPOUOMF-AWEZNQCLSA-N 276.340 1.080 0 50 CDAA CCn1ncnc1CN(C)Cc1cc(C2CC2)n[nH]1 215731992 CDRKIOQRWCYRJH-UHFFFAOYSA-N 260.345 1.531 0 50 CDAA O=C(C1CCNCC1)N1CCC[C@H](C[C@@H]2CCOC2)C1 374804231 BBKGSAZASQQTDM-KGLIPLIRSA-N 280.412 1.651 0 50 CDAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cc(C)on1 77504775 CHHXYLPNTFPVJQ-LLVKDONJSA-N 280.324 1.931 0 50 CDAA O=C(Nc1cnccc1CO)[C@@H]1C[C@H]1c1cccnc1 371522737 AWBPXOWTLAJPFL-QWHCGFSZSA-N 269.304 1.711 0 50 CDAA CCc1nc(C)c(C(=O)NCCNc2cccnc2)o1 216229766 BGHRQIZZQGABKP-UHFFFAOYSA-N 274.324 1.782 0 50 CDAA CC(C)c1cc(C(=O)NCc2ccccn2)nc2ncnn12 216415211 NLVVRROMKCSGPM-UHFFFAOYSA-N 296.334 1.573 0 50 CDAA COCCc1noc(-c2cn(Cc3ccccc3C)nn2)n1 72143867 DBVWSLPCICFLNZ-UHFFFAOYSA-N 299.334 1.874 0 50 CDAA CN[C@@H](C)CNC(=O)c1cc(Br)ccc1O 262834364 SBLILVQDUVCZEH-ZETCQYMHSA-N 287.157 1.492 0 50 CDAA CO[C@H](CNC(=O)c1cc(C)n(C(C)C)n1)C1CC1 452143290 OLKOYDZVQZMXAZ-CYBMUJFWSA-N 265.357 1.927 0 50 CDAA O=C(c1ccc(-n2ccnn2)cc1)N1CCC[C@H]2CNC[C@H]21 333288706 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LRBRAPWYUZGNNW-AWEZNQCLSA-N 296.326 1.304 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)NCCCn1ccnc1 426580715 IVCICWBQVRNAMM-NSHDSACASA-N 261.329 1.156 0 50 CDAA Nc1ncccc1CNC(=O)CSc1ccccn1 223312073 MRZWFQQNUHEBET-UHFFFAOYSA-N 274.349 1.467 0 50 CDAA OC[C@H]1CCCN1c1cc(N[C@H]2CCCOC2)ncn1 264501503 QHAVHPHDCDBJCV-NWDGAFQWSA-N 278.356 1.029 0 50 CDAA O=C(O)C[C@@H](NC(=O)CCc1cnccn1)c1ccccc1 426472712 IJQSIGQYECRYEO-CQSZACIVSA-N 299.330 1.741 0 50 CDAA CCN1CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 426529375 ORFSIKYDHILTQA-GFCCVEGCSA-N 262.357 1.122 0 50 CDAA COc1ccc(CN2CCC[C@@H]2c2ccc(O)nn2)cn1 528787041 DZCSIFCNEYOKIE-CYBMUJFWSA-N 286.335 1.923 0 50 CDAA O=C1CCNC(=O)N1Cc1nc2ccccc2s1 95527187 YJXRPYFNUZKHDU-UHFFFAOYSA-N 261.306 1.738 0 50 CDAA Cc1nc(NCCc2nnc(N)s2)c2cccnc2n1 95373267 YNIQWVWGEYVUHZ-UHFFFAOYSA-N 287.352 1.422 0 50 CDAA Cc1cc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)no1 293006001 PGXDIVBYKRDOKX-INIZCTEOSA-N 299.374 1.916 0 50 CDAA CNC[C@H]1CCN(C(=O)COc2cccc(C)c2)C1 179003264 GIHDTOBKYNFEGT-CYBMUJFWSA-N 262.353 1.442 0 50 CDAA OC[C@H]1CN(Cc2ccccc2)C[C@H]1CN1CCOCC1 91736482 DFKGXOQOYHYSDM-IAGOWNOFSA-N 290.407 1.059 0 50 CDAA COCC[C@]1(CO)CCCN(CCCSC)C1 91693747 NPPXAGXXIYTYLM-CYBMUJFWSA-N 261.431 1.851 0 50 CDAA CCc1ncc(C(=O)NCCCc2csc(N)n2)cn1 95353997 CVBQNFJGOAGGEL-UHFFFAOYSA-N 291.380 1.440 0 50 CDAA Cc1ncn(CC(=O)N(C)CCC2(O)CCCC2)c1C 244716229 LLBINMAOACQTLD-UHFFFAOYSA-N 279.384 1.654 0 50 CDAA CC[C@H](NC(=O)c1c(C)n[nH]c1C1CC1)[C@H]1C[C@H](O)C1 244659818 HJGDSKFHWYVLDM-SRVKXCTJSA-N 277.368 1.875 0 50 CDAA CCn1nncc1C(=O)NCc1ccc(OC)cc1 292693005 NBXPKEHYQRLSPN-UHFFFAOYSA-N 260.297 1.237 0 50 CDAA COC(=O)[C@@H](N)c1csc(Br)c1 259724538 WXYOXGMRXRPQHT-LURJTMIESA-N 250.117 1.683 0 50 CDAA CNC[C@@H]1CCN(C(=O)[C@H]2CSc3ccccc3O2)C1 299739003 JJVOGNINPXWDHL-WCQYABFASA-N 292.404 1.608 0 50 CDAA CCOC(=O)[C@H](OCC)[C@H](O)c1ccc(O)cc1 606241633 KHFLLVMFVRDXDG-VXGBXAGGSA-N 254.282 1.394 0 50 CDAA C[C@@H](OC1CCCCCC1)C(=O)N1CCO[C@H](C(=O)O)C1 299744492 OYFUANRCIQZEEA-YPMHNXCESA-N 299.367 1.426 0 50 CDAA Cc1n[nH]c(C)c1S(=O)(=O)NCc1cc(C(C)C)on1 534670098 FCVDQMQOBCVBTE-UHFFFAOYSA-N 298.368 1.616 0 50 CDAA CCn1nncc1CN1C[C@H](C(F)(F)F)OC(C)(C)C1 459486959 GRRVHLPJVOBJOC-SNVBAGLBSA-N 292.305 1.840 0 50 CDAA Cc1nnc(NC(=O)COC[C@@H]2CCCCO2)nc1C 1940193484 ZZFCWHNWUCGVJW-NSHDSACASA-N 280.328 1.013 0 50 CDAA Cc1n[nH]nc1C(=O)NCc1sc(C(C)C)nc1C 299792972 HULOKRJEYGADPV-UHFFFAOYSA-N 279.369 1.931 0 50 CDAA O=C(C1CCOCC1)N1CCC(O)(c2ccccn2)CC1 299757850 CKSWSLXPYLYGFE-UHFFFAOYSA-N 290.363 1.318 0 50 CDAA O=C(NCCN1CCCC[C@H]1CO)c1ccc(F)c(O)c1 828710772 CMGDBIBOXHCTSX-LBPRGKRZSA-N 296.342 1.108 0 50 CDAA COCC[C@H]1CCCN(S(=O)(=O)N2CCCC2)C1 824384141 OWUVHEWAWQEDDO-GFCCVEGCSA-N 276.402 1.076 0 50 CDAA CCc1ccc2ncn(CCc3noc(C)n3)c(=O)c2c1 584903762 CTPJJPDTLKJCBE-UHFFFAOYSA-N 284.319 1.893 0 50 CDAA CN(CCC1(O)CCCC1)C(=O)C[C@H]1CCOC1 584887497 PXLAWFQTVBCLLM-GFCCVEGCSA-N 255.358 1.567 0 50 CDAA C[C@H](O)C(=O)NCC1(N2CCCCC2)CCCC1 584888974 VHQZGNQNANDQSP-LBPRGKRZSA-N 254.374 1.282 0 50 CDAA CC(C)NC(=O)c1cc[nH]c(=NCC[C@@H]2CCCOC2)c1 584889819 GJPNAQMWFLWSRH-ZDUSSCGKSA-N 291.395 1.870 0 50 CDAA CO[C@H]1CCN(C(=O)CCn2nc(C)cc2C)C1 584891034 ABKJCRZEQQYTRE-LBPRGKRZSA-N 251.330 1.137 0 50 CDAA CC(=O)NCCCC(=O)N(C)CCC1(O)CCCC1 584888388 AWQYSWHBCRUTGX-UHFFFAOYSA-N 270.373 1.056 0 50 CDAA COCc1nc([C@@H]2CCOC2)n(Cc2ccccc2)n1 670444333 NUWRDBKULGNROE-CYBMUJFWSA-N 273.336 1.977 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc1 1074572971 SJDNJWISGMSBAI-YNEHKIRRSA-N 267.350 1.451 0 50 CDAA COC(=O)C[C@H](C)CC(=O)Nc1n[nH]c(C(C)C)n1 1327069118 ZRGLALSNVUUWJL-MRVPVSSYSA-N 268.317 1.456 0 50 CDAA Cn1nc(C2CC2)cc1NC(=O)NC[C@@H]1CCC[C@H]1O 1365500794 MPWNLRDBLURNPH-CMPLNLGQSA-N 278.356 1.580 0 50 CDAA Cc1c[nH]ccc1=NCCNCc1cccc2nonc12 952968997 ORSXWQBFIPKFOP-UHFFFAOYSA-N 283.335 1.550 0 50 CDAA CN(C[C@H](O)C(C)(C)O)[C@H](CO)c1ccc(Cl)cc1 1434474482 NPLXVGOZTBLNDR-OLZOCXBDSA-N 287.787 1.437 0 50 CDAA CCC[C@H]1CN(C(=O)CCc2n[nH]c(C)n2)C[C@@H]1C(=O)O 1565513972 LAQJDDFXFGALLB-QWRGUYRKSA-N 294.355 1.005 0 50 CDAA Cc1nc([C@@H]2CN(c3ccc(F)cn3)CCO2)n[nH]1 408102346 FENCDNKNLYWOEN-JTQLQIEISA-N 263.276 1.225 0 50 CDAA O=C(N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)C1(O)CCC1 408208084 KLMWCRAWTIJIKZ-XQQFMLRXSA-N 267.369 1.444 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)Nc1nnc2ccccn12 408474379 TUPSDNAGUXBBCW-ZJUUUORDSA-N 260.297 1.483 0 50 CDAA CC(C)n1cc(NC(=O)NCC2(C)CCNCC2)cn1 571532677 BEAMSXYTOUHMKL-UHFFFAOYSA-N 279.388 1.975 0 50 CDAA C[C@H]1C(=O)N(C[C@H](C)N(C)c2ccccc2)C(=O)N1C 277528249 YHMDAVMLFPOCNB-RYUDHWBXSA-N 275.352 1.794 0 50 CDAA CN1C(=O)Cc2cc(NC(=O)CCn3ccnc3)ccc21 279065053 FSEWFNKXNYTHFC-UHFFFAOYSA-N 284.319 1.431 0 50 CDAA CCn1cc(CN(C)Cc2noc(C)c2C(=O)O)cn1 574046688 LKCFWEGZMJLPIM-UHFFFAOYSA-N 278.312 1.530 0 50 CDAA CC(C)N(C)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 190640058 WXSNAGGBUBTTCQ-ZDUSSCGKSA-N 275.352 1.359 0 50 CDAA Cc1ncc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)[nH]1 583621744 FOIZIZLDOHNPHB-ZFWWWQNUSA-N 299.378 1.536 0 50 CDAA CC1(C)CNC(=O)[C@H]1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585127582 DQNBXWAAPSBWGN-MRBYEJRBSA-N 264.369 1.454 0 50 CDAA O[C@@H]1CCCCC[C@H]1n1cc(COc2ncccn2)nn1 656466916 HSNVORWJBBRYEX-CHWSQXEVSA-N 289.339 1.513 0 50 CDAA COCc1nc(OC)cc(N2CCCO[C@H](C)C2)n1 681229749 QVTYBKRGENVQGR-SNVBAGLBSA-N 267.329 1.247 0 50 CDAA CC(C)(C)n1nnc(CNc2cnccc2-n2cccn2)n1 657428221 ZJJONNSRQDKQSE-UHFFFAOYSA-N 298.354 1.621 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3CC[C@]3(N)C2)oc1Br 1615545758 IPTSMPQJQFGGJW-UFBFGSQYSA-N 299.168 1.914 0 50 CDAA O=C(CCC1CCNCC1)N1CCCC[C@H](O)C1 1875303097 VWARZQNFNJJJDA-ZDUSSCGKSA-N 254.374 1.140 0 50 CDAA COc1ccc(OC)c(NC(=O)/C=C/C(=O)O)c1 72381 LCOSAGWQXISENW-AATRIKPKSA-N 251.238 1.283 0 50 CDAA biogenic CCc1nc(C)c(C(=O)Nc2nnc3nc(C)ccn23)o1 1506431683 VKYUQERRWMHYIB-UHFFFAOYSA-N 286.295 1.544 0 50 CDAA C[C@@H](CN(C)CCO)NCc1cc2cc(F)ccc2[nH]1 1506413206 HZOTWHPTFQTVKW-NSHDSACASA-N 279.359 1.709 0 50 CDAA COCCN(C(=O)c1ncoc1C1CC1)C1CC1 328741322 IWLCDUHEOAPUIE-UHFFFAOYSA-N 250.298 1.803 0 50 CDAA Cc1nc(O)cc(CN2CCCN(C3CCCC3)CC2)n1 1529139688 QCELJMGXVGLBRU-UHFFFAOYSA-N 290.411 1.941 0 50 CDAA C[C@H](O)c1ccc(N2CCCC[C@H]2C(N)=O)c(F)c1 109581775 VGRNPQQZBQDCGD-ZANVPECISA-N 266.316 1.723 0 50 CDAA COCCNC(=S)N1CCN(c2ccc(F)cc2)CC1 2334821 GXEIVGSROQLASW-UHFFFAOYSA-N 297.399 1.469 0 50 CDAA Cc1cc(C(=O)NCC2(C(=O)O)CCCCC2)n[nH]1 137989833 PHCBSJVKVUPTCT-UHFFFAOYSA-N 265.313 1.483 0 50 CDAA CC[C@@H](C)N(CC(=O)O)C(=O)c1ccnc(C)n1 119098791 JQOUAUNJTKPMGL-MRVPVSSYSA-N 251.286 1.110 0 50 CDAA CC(C)n1cc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)cn1 1650013911 QTRDNGCWPSEEFJ-HIFRSBDPSA-N 293.367 1.387 0 50 CDAA CCc1cc(C(=O)N2CCC[C@H]2C2(O)CC2)on1 1772814360 VAXSQQFUZSDHHF-NSHDSACASA-N 250.298 1.367 0 50 CDAA OCCNc1nc(Cl)nc(Nc2ccccc2)n1 5395116 ACESZCUQEWAJIS-UHFFFAOYSA-N 265.704 1.673 0 50 CDAA CC(=O)Oc1ccccc1C(=O)N1C[C@H](C)O[C@H](C)C1 12417963 BDJMJGKXSFGPPK-PHIMTYICSA-N 277.320 1.861 0 50 CDAA Cc1nn(C)c2c1[C@@H](NC(=O)CNc1cccnc1)CCC2 1857670295 GCEKTLRJOLCKMA-ZDUSSCGKSA-N 299.378 1.729 0 50 CDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cnccn2)CC[C@H]1N 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274.045 1.393 0 50 CDAA Fc1cncc(N2CCN(CCc3ccccn3)CC2)c1 299652876 LEJJVYFHOCAZAZ-UHFFFAOYSA-N 286.354 1.980 0 50 CDAA CC(C)Oc1ccc(OCCN2CC(O)C2)cc1 252481171 CIDVCBRDBLQRNB-UHFFFAOYSA-N 251.326 1.529 0 50 CDAA C[C@H](CC(=O)N1[C@H](C)COC[C@H]1C)C1CCNCC1 299740386 ZFDNVGYKEJQWMJ-JHJVBQTASA-N 268.401 1.648 0 50 CDAA CCSCCNC(=O)N(C)CCn1ccnc1C 534653014 LCLYTNIZHFBDKF-UHFFFAOYSA-N 270.402 1.586 0 50 CDAA CO[C@@H](C)c1ccc(-c2nc(C(=O)O)nn2C)cc1 534653678 XUOKAOAMFGCFGF-QMMMGPOBSA-N 261.281 1.888 0 50 CDAA C[C@H](Cc1ccsc1)NC(=O)CCS(C)(=O)=O 617406972 ONJDCALZFFCYGG-SECBINFHSA-N 275.395 1.230 0 50 CDAA CC[C@H](NC(=O)COCCOC)c1cc(C)ccn1 299780264 UGPJBQJIGKXFEB-LBPRGKRZSA-N 266.341 1.620 0 50 CDAA CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCNC2 299786276 QCNBQCWNIGQWHV-UHFFFAOYSA-N 290.411 1.857 0 50 CDAA CN(C)[C@H]1CCCN(CCC(=O)Nc2cccnc2)CC1 299763894 YQIDEMBTRCSHNZ-HNNXBMFYSA-N 290.411 1.826 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCN(CC2CCC2)CC1 584888573 UFMTVUHIFAXDEW-AWEZNQCLSA-N 266.385 1.357 0 50 CDAA 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291.170 1.576 0 50 CDAA C[C@H]1CCS(=O)(=O)N1Cc1noc2c1CCCC2 902845958 DHDDZYJUDMHFGB-VIFPVBQESA-N 270.354 1.477 0 50 CDAA Cc1cc(C(=O)N2CCC(CC(=O)O)CC2)cc(O)n1 908680952 JUPOEZYTDLEGRQ-UHFFFAOYSA-N 278.308 1.423 0 50 CDAA CN(C)C(=O)c1ccc(-c2ncc3c(ncn3C)n2)cc1 2100544695 FPWOEIYJNZTLIN-UHFFFAOYSA-N 281.319 1.732 0 50 CDAA Cc1cc(=N)[nH]c(NC2CCN(Cc3ccccn3)CC2)n1 2325764453 YSZALUXLUVJXFG-UHFFFAOYSA-N 298.394 1.669 0 50 CDAA Cc1csc(-c2noc(C3=NN4CCCN=C4N3)n2)c1 2325774513 SFULUYAAFACBQS-UHFFFAOYSA-N 288.336 1.433 0 50 CDAA COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1O 123700 JWNFSTNMEBJXKG-GMSGAONNSA-N 255.295 1.189 0 50 CDAA biogenic O=c1[nH]c(=O)c2sc3nc4c(cc3c2[nH]1)CCC4 377748 QQVSWUAFDPRKNA-UHFFFAOYSA-N 259.290 1.315 0 50 CDAA Cc1ccc(S(=O)(=O)CC(=O)NC(C)C)cc1 394264 VQTNDFCKAXHLPM-UHFFFAOYSA-N 255.339 1.293 0 50 CDAA O=C(O)CCC(=O)Nc1ccc(CN2CCOCC2)cc1 795282 WMWOCPDRYXLAHX-UHFFFAOYSA-N 292.335 1.322 0 50 CDAA O[C@H](CNCCCN1CCCCC1)COc1ccccc1 1832401 HMAWRSOHTHQKFV-MRXNPFEDSA-N 292.423 1.892 0 50 CDAA CCc1ncnc(N2CCN(C3CC3)C[C@@H]2C)c1F 2356159539 GCPWQJUJORFWAK-JTQLQIEISA-N 264.348 1.851 0 50 CDAA CCOC(=O)CNC(=O)c1ccc(Br)cc1 3068755 RZHQSSALRGKQJK-UHFFFAOYSA-N 286.125 1.742 0 50 CDAA COc1ccc(/C=C(\C)CN[C@H]2CCS(=O)(=O)C2)cc1 221679273 CPHUICYZRDUNRZ-TZIYXEQSSA-N 295.404 1.875 0 50 CDAA Cc1cc(N[C@H]2CCO[C@@H]2c2nccn2C)n2ncnc2n1 225433682 BKCOPEUJGLBYTN-JQWIXIFHSA-N 299.338 1.108 0 50 CDAA O=C(C(=O)N1CCCN2CCC[C@H]2C1)c1ccco1 20997919 ILXMOKGXHJJKTH-NSHDSACASA-N 262.309 1.159 0 50 CDAA C[C@@H](Cn1ccnc1)NC(=O)N[C@H](CN)C1CCCCC1 416432557 KXXQGTHVBVSONR-GXTWGEPZSA-N 293.415 1.478 0 50 CDAA Cc1ncc(C(=O)NCc2cnn(C(C)C)c2)c(C)n1 65434854 COWAGDLDJCWVGI-UHFFFAOYSA-N 273.340 1.801 0 50 CDAA COC(=O)CN(C)CCOc1c(OC)cccc1OC 65381300 GYXSWXMWVXDZML-UHFFFAOYSA-N 283.324 1.187 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CSc2ccncc2)n[nH]1 67676269 QXDMJHLTIVSJNH-MRVPVSSYSA-N 277.353 1.478 0 50 CDAA CCCc1cnc(C)nc1NCc1nnc2n1CCC2 65434232 ZRNMYNJEBIXALK-UHFFFAOYSA-N 272.356 1.887 0 50 CDAA NS(=O)(=O)c1cccc(-c2cccc(C(=O)O)c2)c1 65336927 ICPJAUWCOLDBCW-UHFFFAOYSA-N 277.301 1.699 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)N(C)Cc2cccnc2)n[nH]1 124461781 RZNFGVKWXBGLLW-NSHDSACASA-N 287.367 1.886 0 50 CDAA CN1CCC(CNC(=O)COc2cccc(F)c2)CC1 74861031 QHZNQQGUBWSAHQ-UHFFFAOYSA-N 280.343 1.663 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]2(CN)C(=O)O 219053281 PIJOTKMVIRRBKQ-AWEZNQCLSA-N 284.356 1.437 0 50 CDAA Cn1cc(C(=O)c2nc(-c3cccnc3)no2)cn1 253425851 SRUQLCNEBDJRAX-UHFFFAOYSA-N 255.237 1.096 0 50 CDAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N1CN1CCO[C@H]2CCCC[C@@H]21 257364978 BQHVNZZAYVRCGC-SBOZNWLOSA-N 290.407 1.844 0 50 CDAA O=S(=O)(CCC1CC1)N1CCC[C@@]2(CCOC2)C1 334876363 WHMYIZLQGRNECX-CYBMUJFWSA-N 273.398 1.619 0 50 CDAA Cc1cccc(NC(=O)NCCCN2CCCC2)n1 360890765 ZYUFWNTUHYZCPI-UHFFFAOYSA-N 262.357 1.997 0 50 CDAA O=C(O)CN(C(=O)[C@@H]1CC1(Cl)Cl)C1CCOCC1 238102572 JEGYMTSVKPRLQF-QMMMGPOBSA-N 296.150 1.272 0 50 CDAA CO[C@@H]1CCCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 374681684 VSTVQCDGBFFIFJ-GFCCVEGCSA-N 297.399 1.208 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(S(=O)(=O)CCC(C)(C)C)C1 330512183 JUTYNJQSKOYYGV-UWVGGRQHSA-N 292.401 1.377 0 50 CDAA CCc1cnccc1C(=O)N[C@@H]1CCC(=O)NC12CCC2 367228990 CPMADZKGODDWQA-CYBMUJFWSA-N 287.363 1.575 0 50 CDAA CCc1cc(N(C)Cc2noc(CC)n2)n2nccc2n1 72425706 GXSZJYVZRBLXGL-UHFFFAOYSA-N 286.339 1.874 0 50 CDAA OC1(CNc2ncnc3[nH]cnc23)C2CC3CC(C2)CC1C3 32593248 LHRBHODTURWKCE-UHFFFAOYSA-N 299.378 1.952 0 50 CDAA Cc1cc(C2CCC2)nc(N2CCOC[C@@H](O)C2)n1 77286379 FBJAAHUEPGEDPI-LBPRGKRZSA-N 263.341 1.250 0 50 CDAA Cc1nnc(-c2ccc(C(=O)N3CCC[C@@H](N)C3)cc2)[nH]1 158380287 WKQAJKSGRDJSHE-CYBMUJFWSA-N 285.351 1.343 0 50 CDAA O=C(CO)N1CCc2[nH]nc(-c3ccccc3F)c2C1 71765626 VRTVSKTWIDAPDN-UHFFFAOYSA-N 275.283 1.093 0 50 CDAA C[C@H]1CN(c2ncnc3[nH]ccc23)C[C@]2(CCOC2)O1 280181048 IAGYMIXYGWVFOQ-HZMBPMFUSA-N 274.324 1.342 0 50 CDAA OC[C@@]1(O)CCCN(Cc2cccc3cc[nH]c23)CC1 214966142 NZWCSFZMUGVOND-MRXNPFEDSA-N 274.364 1.877 0 50 CDAA COC(=O)CC1C2CC=CCC1C2CC(=O)OC 45071951 KJWMDDYUSVIWGT-UHFFFAOYSA-N 252.310 1.941 0 50 CDAA O[C@@H]1C[C@@H](c2cccc(F)c2)N(c2cnccn2)C1 281606450 GHYBGKWBFNPKCV-OLZOCXBDSA-N 259.284 1.928 0 50 CDAA CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)CC1 238852836 HHSHRDJOGQTWNB-IMJJTQAJSA-N 293.455 1.850 0 50 CDAA in-vitro COCCN1C[C@H](O)C[C@@H]1c1cccc(OC)c1 282027531 FHTFFYFJQSMMLI-TZMCWYRMSA-N 251.326 1.449 0 50 CDAA CCn1ncnc1[C@@H](NC(=O)c1cccnc1O)C1CC1 222736981 GWCUTIZWQPMKLY-NSHDSACASA-N 287.323 1.280 0 50 CDAA C[C@H](NC(=O)[C@@H]1CCC[C@@H](N)C1)[C@H]1CCCCN1 521398775 WHKCAGZAXLOIJQ-UMSGYPCISA-N 253.390 1.151 0 50 CDAA CNC(=O)Cc1ccc(-c2noc(C3(C)COC3)n2)cc1 521609874 FIZGVCMEJBIREE-UHFFFAOYSA-N 287.319 1.313 0 50 CDAA Cc1ccc(CN(C)CC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 220196897 YVDBJBQLIQLRDN-PMPSAXMXSA-N 288.391 1.720 0 50 CDAA Cc1n[nH]nc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223382425 JQYUNHZPHIZSLC-UNJBNNCHSA-N 290.367 1.437 0 50 CDAA C[C@H](CNC(=O)CCCC(=O)O)Oc1cccnc1 426613597 HUUHCGNEIDMHOK-SNVBAGLBSA-N 266.297 1.220 0 50 CDAA CCO[C@H]1CN(Cc2nc(C(C)C)cs2)C[C@@H]1O 223794041 HCQKXALLAIRYKU-RYUDHWBXSA-N 270.398 1.848 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)CCN2CCN(C)CC2)nc1 222953068 WASAYLIYKNJAOA-CQSZACIVSA-N 290.411 1.205 0 50 CDAA Oc1ccc(C2(O)CCC3(CC2)OCCO3)nc1 148125897 ISTKQVXMPAEOKX-UHFFFAOYSA-N 251.282 1.292 0 50 CDAA COc1cccc2c1OC[C@H](Cc1cc(N)ncn1)C2 95355735 FROPDHJFVRZWNI-JTQLQIEISA-N 271.320 1.861 0 50 CDAA CCc1cc(CN(C)C(=O)[C@@]2(C)CCCO2)on1 426399161 DWHACAXHBNZGRT-CYBMUJFWSA-N 252.314 1.765 0 50 CDAA C[C@H]1CCN(CC(=O)N2Cc3ccccc3C2)C1=O 95530044 UWZUROREXVVXJD-NSHDSACASA-N 258.321 1.397 0 50 CDAA CC[C@@H](O)CN1CCN(c2cccc(OC)c2)C(=O)C1 91602955 FPUJJWOFDVYMOL-CYBMUJFWSA-N 278.352 1.115 0 50 CDAA O=C(NCCCn1ccnn1)c1ccc(-c2cc[nH]n2)cc1 91793589 BNLGUGVRMRCWBV-UHFFFAOYSA-N 296.334 1.488 0 50 CDAA COc1nc(C)cc(C)c1-c1nc2c([nH]1)CCCNC2=O 95390369 DOEZNUAFBGBUGC-UHFFFAOYSA-N 286.335 1.773 0 50 CDAA C[C@@H](CC(=O)O)NC(=O)c1cccc(-n2cccn2)c1 95363222 YPGXQKZXYZFCQJ-JTQLQIEISA-N 273.292 1.465 0 50 CDAA CSCc1noc(Cn2c(=O)n(C)c3ccncc32)n1 95518332 HTONZUYSXHZOJU-UHFFFAOYSA-N 291.336 1.029 0 50 CDAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc(N)nc2)C1 91677644 JFKWZGMRFUAKGG-HNNXBMFYSA-N 291.351 1.771 0 50 CDAA Cn1c(=O)c(CN2CC[C@H]3CC[C@@H](C2)N3)cc2ccccc21 97515200 PFSSBHAYTDWCMN-CVEARBPZSA-N 297.402 1.865 0 50 CDAA COc1ccc2c(c1)CCN(C(=O)Cc1c[nH]cn1)CC2 95384034 FIUAXBLTQZHRND-UHFFFAOYSA-N 285.347 1.588 0 50 CDAA Nc1ccnc(N2CC[C@@H](Cc3ccc(CO)cc3)C2)n1 91951854 ATWBAVKFIHXWHG-AWEZNQCLSA-N 284.363 1.620 0 50 CDAA CC[C@H](C(=O)N1CCc2[nH]cnc2C1)n1cccn1 96136766 OLDUTZPQVSXKFH-GFCCVEGCSA-N 259.313 1.142 0 50 CDAA COc1ccc(F)cc1C(=O)N(C)[C@H]1CCNC1 179119432 NRQZEUWWNOVVSB-JTQLQIEISA-N 252.289 1.268 0 50 CDAA Cn1nccc1CN1CCN(c2nc3ccccc3o2)CC1 179502083 SNAMMFFGNJELAK-UHFFFAOYSA-N 297.362 1.884 0 50 CDAA CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)C[C@]12CCOC2 601014780 HOZRVYWAQQWMNY-QWHCGFSZSA-N 271.313 1.393 0 50 CDAA O=C(Nc1cc(C2CCOCC2)[nH]n1)[C@@H]1CC1(F)F 295021927 QSOWOSHSYXYVCE-QMMMGPOBSA-N 271.267 1.897 0 50 CDAA CCOC[C@H]1CCN(C(=O)Cc2ccc(O)c(OC)c2)C1 295136381 IPSAINQVFZVTGY-ZDUSSCGKSA-N 293.363 1.828 0 50 CDAA C[C@@H](CCN(C)C)NCc1cccc(-c2nn[nH]n2)c1 534576055 ORIJUWCBFOFVIJ-NSHDSACASA-N 274.372 1.297 0 50 CDAA CCn1ncc(C)c1NC(=O)c1ccc(=O)n(C)c1 618442552 YBLZRYUGWUXRDJ-UHFFFAOYSA-N 260.297 1.162 0 50 CDAA COCCC1(NC(=O)c2ncc(OC)cn2)CCC1 352384481 VUHWENBLOWUTKF-UHFFFAOYSA-N 265.313 1.174 0 50 CDAA O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CC=CCC1 534671357 HIXKZISOVYXRES-LBPRGKRZSA-N 283.335 1.839 0 50 CDAA C[C@@H](C(=O)NCCc1cc[nH]n1)N1CCCCCC1 534578223 ZGEUKWBFSBKZJR-LBPRGKRZSA-N 264.373 1.333 0 50 CDAA Cc1noc(C)c1CN1CC[C@H]2OCc3cnnn3[C@H]2C1 299783953 YBADMUVVPNECCY-UONOGXRCSA-N 289.339 1.229 0 50 CDAA c1cc(-c2n[nH]c(CN[C@H]3CCSC3)n2)ccn1 584886927 OMKUUUWZPNWQLJ-JTQLQIEISA-N 261.354 1.462 0 50 CDAA Cc1nc2nc(CN3CCC4(CCCC4)C3)cc(O)n2n1 670452354 BYXKIWOASIIYMI-UHFFFAOYSA-N 287.367 1.904 0 50 CDAA O=C(NCc1ccc2nsnc2c1)[C@H]1CCCO1 670437690 FIBBURNXCLMMAF-LLVKDONJSA-N 263.322 1.487 0 50 CDAA COCc1nc([C@H]2CCOC2)n(Cc2ccccc2)n1 670444334 NUWRDBKULGNROE-ZDUSSCGKSA-N 273.336 1.977 0 50 CDAA COC[C@H]1[C@@H](NC(=O)CC2=CCCC2)[C@H]2CCO[C@H]21 1074567842 WOILNTZPNQRFJP-PAPYEOQZSA-N 265.353 1.653 0 50 CDAA CCc1c(C)sc2ncnc(NCc3nc(O)n[nH]3)c12 952981448 ZDVVNQJSBIBRTK-UHFFFAOYSA-N 290.352 1.998 0 50 CDAA CC[C@H](C)Cc1nc(Cc2cc(O)nnc2O)n[nH]1 952870157 WBLMQBISRSRVET-ZETCQYMHSA-N 263.301 1.185 0 50 CDAA CC[C@@H](Cn1ccnc1)NCc1ccc(OC)nc1 952975547 FKSHGLICJVCPRG-ZDUSSCGKSA-N 260.341 1.855 0 50 CDAA Cc1cc2cc(C(=O)N[C@@H]3[C@H]4OCC[C@H]4[C@H]3N)ccc2o1 1565515878 CMJQCWFOCPBMQC-ATGSNQNLSA-N 286.331 1.586 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](CN)CO2)C1 91303593 CYIJGWKOFZHWLD-SMDDNHRTSA-N 270.373 1.751 0 50 CDAA in-vitro O=C(O)[C@H]1C[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 268889777 IFBSZDBFYKAYJJ-KBPBESRZSA-N 299.330 1.252 0 50 CDAA C[C@@H](N)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 165514400 GKFSOPXYLDQGKI-SNVBAGLBSA-N 272.352 1.616 0 50 CDAA Cc1nnc(NC(=O)[C@@H]2CCCO[C@H]2C)n1C1CC1 408057400 UFKWTYKIBSODSV-GZMMTYOYSA-N 264.329 1.675 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(CC2CC2)C1 408474925 YUEDIDOGLNIFOC-QWHCGFSZSA-N 280.368 1.230 0 50 CDAA NC(=O)c1ccc(CNC[C@@H]2CCc3nccn3C2)cc1 275447887 GHIIGHPCBULOKM-ZDUSSCGKSA-N 284.363 1.334 0 50 CDAA CCc1ncoc1C(=O)NCc1ccncc1OC 1776005556 DUIVCOCPELQDNL-UHFFFAOYSA-N 261.281 1.571 0 50 CDAA CC(C)CC[C@H](O)Cn1cc([C@@H](N)[C@H]2CCCO2)nn1 641230481 ZBIUUASPDMUPGY-IACUBPJLSA-N 282.388 1.254 0 50 CDAA O=C1CCC[C@H](CC(=O)N2CCCOc3ccccc32)N1 675889316 ABWRVPRBCFTLTD-GFCCVEGCSA-N 288.347 1.861 0 50 CDAA Cc1cc(CNC(=O)N2CCCC2)nc(N(C)C)n1 191426286 MPWNZZRUSPWZFD-UHFFFAOYSA-N 263.345 1.156 0 50 CDAA CC[C@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)OC 192859637 KJXNOLXFPLBOCN-DTWKUNHWSA-N 296.289 1.081 0 50 CDAA CO[C@@](C)(CO)CNC(=O)c1cc(F)c(F)c(F)c1F 585090950 DGKYOIUTQHFWKU-GFCCVEGCSA-N 295.232 1.370 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 195554598 UUIVQKHBAVRWQA-SDADXPQNSA-N 293.455 1.835 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC2(CC(OCC)C2)C1 908164474 NCXIPNLGKCRCAK-UHFFFAOYSA-N 294.395 1.439 0 50 CDAA c1ccc(-n2cnc(CN[C@]34CCC[C@@H]3NCC4)n2)cc1 1615058815 RIOFSYWECGQESW-HOCLYGCPSA-N 283.379 1.642 0 50 CDAA CC(C)[C@@H](CO)NC(=O)CCc1ccc(CO)cc1 1615620934 VENJFKZZMBYRIQ-CQSZACIVSA-N 265.353 1.245 0 50 CDAA NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 423258 PWZBRZKGDFJNKH-UHFFFAOYSA-N 282.346 1.648 0 50 CDAA Cc1cnnc(N2CCC[C@H](c3nc[nH]n3)C2)c1C 1857674755 XAWKXHVFUUGYCA-NSHDSACASA-N 258.329 1.596 0 50 CDAA O=C(O)C1CCC(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 2341465 AEBPZIDTVZFESD-QQFIATSDSA-N 279.336 1.805 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(c1ncccc1Cl)C2 1704330767 FOTZKSOCDSCDLD-MNOVXSKESA-N 267.760 1.502 0 50 CDAA Cc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1F 1704313649 LJMPNYFTKAQFOU-OLZOCXBDSA-N 278.327 1.081 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)C3CC=CC3)C[C@H]2O)n[nH]1 1704280499 KEWXBPIVYGSPBX-TZMCWYRMSA-N 275.352 1.046 0 50 CDAA CCN(CC)CCNC(=O)c1nc(C2CC2)no1 585119113 RLFRFBRNTQTGSF-UHFFFAOYSA-N 252.318 1.019 0 50 CDAA O=C1CCN(C(=O)OCc2ccccc2)C[C@H]1F 32915010 JECCYYOJLNSUHX-LLVKDONJSA-N 251.257 1.936 0 50 CDAA in-vitro CC[C@@H](C(=O)O)N1CCCN(C(=O)C2CCCCC2)CC1 1772818913 ATOXUKVBKHHGHB-AWEZNQCLSA-N 296.411 1.964 0 50 CDAA CC(C)(C)OC(=O)NCCN[C@H](C(=O)O)c1ccco1 12954818 ONFTXSIYQYEFEG-JTQLQIEISA-N 284.312 1.520 0 50 CDAA COCC(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 15068619 HWPMNVMGHMGJEI-UHFFFAOYSA-N 289.310 1.747 0 50 CDAA C[C@@H]1C(=O)OC[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 19219162 VQMWGBQYKSSRDB-SMDDNHRTSA-N 299.330 1.298 0 50 CDAA OCCc1cn(CC2CCN(Cc3ccoc3)CC2)nn1 19745314 ZOHQTJSAICKURN-UHFFFAOYSA-N 290.367 1.318 0 50 CDAA C[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)O 206415064 VGVIZPLEPCEGLJ-MRVPVSSYSA-N 280.711 1.884 0 50 CDAA C[C@H](O)c1nc(-c2cnc3cccnn23)n(C(C)(C)C)n1 1857670129 VFMNUHOSEZEZCN-VIFPVBQESA-N 286.339 1.796 0 50 CDAA NC(=O)Cc1cccc(OC[C@@H]2CC3CCN2CC3)c1 1857693930 SSYDTXYQPCFZJU-AWEZNQCLSA-N 274.364 1.578 0 50 CDAA Cn1ccnc1CCN1CCc2[nH]nc(C3CC3)c2CC1 1857698781 HZLDEQAWEXTHAC-UHFFFAOYSA-N 285.395 1.664 0 50 CDAA Cc1ccccc1[C@H]1CCCN1C(=O)CCc1nn[nH]n1 630786416 ZSZBLQMEOCWVAW-CYBMUJFWSA-N 285.351 1.804 0 50 CDAA O=C(CCC(F)(F)F)N[C@@H]1CCCS(=O)(=O)C1 408246090 ZCWITIADHDUSGZ-SSDOTTSWSA-N 273.276 1.022 0 50 CDAA C[C@@H]1OCC[C@@]1(O)CNC1CCN(C2CCCCC2)CC1 328587693 FIRAJBRWUZXJHK-WMLDXEAASA-N 296.455 1.913 0 50 CDAA CCN1CCN(C(=O)[C@@H]2CCO[C@H]2C)C[C@@H]1c1ncc[nH]1 328643837 YZMMDBBJORVNGK-YNEHKIRRSA-N 292.383 1.040 0 50 CDAA CN(CC[C@@H]1CCOC1=O)C[C@@H]1CCc2nccn2C1 328637758 OTZGIGZPXGQGRD-QWHCGFSZSA-N 277.368 1.331 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)C(=O)[C@@H]1CCCOC1 328630874 QJAXCYWXPWKZOD-QWHCGFSZSA-N 277.368 1.331 0 50 CDAA O=C([C@@H]1CC12CCCC2)N1CCOC[C@@H]1c1nc[nH]n1 328904102 IUUPKGWDDXKAIV-WDEREUQCSA-N 276.340 1.285 0 50 CDAA CC[C@@H](C)n1[nH]c(=NC(=O)N2CC(C(C)(C)O)C2)cc1C 331843196 ZYIFVSDWQOWZRZ-SNVBAGLBSA-N 294.399 1.819 0 50 CDAA CCc1cnccc1C(=O)N1CC[C@H](c2nc(C)no2)C1 332084113 PKGYFHRLOAPHPI-LBPRGKRZSA-N 286.335 1.965 0 50 CDAA CN(C)CCc1ccc(C(=O)N[C@H]2COCC2(C)C)cc1 655136431 AYZSZGNKBATVIO-HNNXBMFYSA-N 290.407 1.946 0 50 CDAA CC[C@]1(C)CN(C(=O)N[C@@H]2CC[C@@H](N(C)C)C2)CCO1 252551811 UHLHHHMWKJLOOF-UMVBOHGHSA-N 283.416 1.680 0 50 CDAA C[C@H]1CN(C(=O)c2csc(-c3ccccn3)n2)CCN1 155056763 YHICOOSMDZZIJP-JTQLQIEISA-N 288.376 1.639 0 50 CDAA Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccon2)on1 265752390 FQMMAQHCJKZSII-SECBINFHSA-N 264.285 1.430 0 50 CDAA Cc1ncc(CN2CCOc3ccccc3[C@H]2C(=O)O)cn1 903930897 KAXDBKCJQAAMQB-HNNXBMFYSA-N 299.330 1.805 0 50 CDAA Cc1ccc(O)cc1C(=O)N[C@]1(CC(=O)O)CCCOC1 909692791 NUJSIQHBWCDBSW-HNNXBMFYSA-N 293.319 1.454 0 50 CDAA CC(C)c1ccc(C(=O)NC2(CO)CCC2)c(O)n1 935178740 DOEIWSIFHUKUCJ-UHFFFAOYSA-N 264.325 1.555 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2nccc(C(=O)O)n2)C1 1857782402 JAALVGOFFHLMOJ-UHFFFAOYSA-N 279.296 1.509 0 50 CDAA Nc1c[nH]nc1[C@@H]1CCN(C(=O)c2cnn3ccccc23)C1 864382786 WBKNRLQWLBPWNS-SNVBAGLBSA-N 296.334 1.269 0 50 CDAA Cc1nonc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 873281490 JTJJCLMKABQVHR-FZMZJTMJSA-N 294.355 1.215 0 50 CDAA Cn1ncc(NC(=O)NCCCn2cccn2)c1Cl 874434782 DXMZXKAKIJGFQE-UHFFFAOYSA-N 282.735 1.482 0 50 CDAA O=C(N[C@H]1COCc2ccccc21)[C@H]1CC(C2CC2)=NO1 1875294267 PRDINPHWUPFHBM-LSDHHAIUSA-N 286.331 1.929 0 50 CDAA Cc1conc1C1CN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1875299168 BLUMWMZSLRYDHE-UHFFFAOYSA-N 296.352 1.111 0 50 CDAA Cn1cc(CNCc2c[nH]c(=N)[nH]c2=N)c2ccccc21 1875341932 PBNCGEIZOJMNPI-UHFFFAOYSA-N 282.351 1.083 0 50 CDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)C2CC=CC2)C1 888078887 GKXHUJIMPJIPSW-KFWWJZLASA-N 278.396 1.711 0 50 CDAA CCc1noc(C)c1-c1noc([C@H]2CNC[C@@H](C)O2)n1 888078336 KHXYADCJFIIGDQ-GMSGAONNSA-N 278.312 1.645 0 50 CDAA CCN(C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)C2CCCC2)C1 1190328348 HECXPZFAXRSJCL-OCCSQVGLSA-N 295.427 1.234 0 50 CDAA Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2C(=O)O)n1 37437219 LSZLTNQHBHSKMZ-LBPRGKRZSA-N 279.340 1.356 0 50 CDAA Cc1nc(N)ncc1-c1ncnn1-c1ccccc1 96136988 UBBUYQGJOVCGCU-UHFFFAOYSA-N 252.281 1.615 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)C[C@H]1CCOC1 426401983 RCECLDPEUMLTSZ-GFCCVEGCSA-N 265.357 1.502 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCCc1ncc[nH]1 426490208 KANPPRBYAFUBTP-SNVBAGLBSA-N 261.329 1.225 0 50 CDAA O[C@@]1(CNc2cccc(C(F)(F)F)n2)CCCNC1 534582596 BCUULGFYDKHTFO-NSHDSACASA-N 275.274 1.627 0 50 CDAA CO[C@@H](C(=O)NC1CCC(C(=O)O)CC1)C1CC1 668273766 KIMFIEGIMBXQFQ-VQXHTEKXSA-N 255.314 1.171 0 50 CDAA COC(C)(C)C[C@H](C)NCCc1nc(C)cc(O)n1 824250109 WFDDWJDNAXULSA-NSHDSACASA-N 267.373 1.826 0 50 CDAA Cn1ccnc1SCC(=O)NCCc1ccccc1 139703 UAFJBVWCNFMHQU-UHFFFAOYSA-N 275.377 1.871 0 50 CDAA Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)c1 4722394 GYAFHSCHXFAWQX-LLVKDONJSA-N 285.307 1.417 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(OC)c1 11566180 AEVDHDUGPRSNOC-MRVPVSSYSA-N 293.772 1.398 0 50 CDAA Cc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N)S1 177083 WUJOOPJVUGGTQP-SECBINFHSA-N 263.322 1.280 0 50 CDAA CCN(CC)C(=O)c1sc(N)c(C(=O)OC)c1C 435189 DICZSXYUFPDJKV-UHFFFAOYSA-N 270.354 1.907 0 50 CDAA Cc1cc(C)cc(NC(=O)C[C@H]2SCCNC2=O)c1 2341170 GFWXKCHMDVFJOY-GFCCVEGCSA-N 278.377 1.864 0 50 CDAA COc1cccc(NC(=O)C(=O)NCC(C)C)c1 2898523 RQDRUPBEWXKYMC-UHFFFAOYSA-N 250.298 1.406 0 50 CDAA CCN(CC)C(=O)c1sc(N)c(C(N)=O)c1C 4099663 BUENMPYBPMXBDX-UHFFFAOYSA-N 255.343 1.220 0 50 CDAA COCCNS(=O)(=O)c1ccc(SC)cc1 4197149 YXGGHQKMLLMXSR-UHFFFAOYSA-N 261.368 1.333 0 50 CDAA CC(C)Cc1nnc(NC(=O)CSc2nc[nH]n2)s1 6492154 DZRIGSFJOINZNY-UHFFFAOYSA-N 298.397 1.586 0 50 CDAA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 6698086 TUWLXLVDRXDNQB-LBPRGKRZSA-N 296.392 1.739 0 50 CDAA CN(C)C[C@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1 113448894 BILCKLVQZBAHBH-CQSZACIVSA-N 298.390 1.896 0 50 CDAA CNS(=O)(=O)c1ccc(Br)cc1C 118749194 MHWBISITAAKXRA-UHFFFAOYSA-N 264.144 1.666 0 50 CDAA CC(C)[C@H](N)CN=c1nc(-c2ccncc2)[nH]c2c1CCC2 420186317 APDSWOSJDWYIGU-CQSZACIVSA-N 297.406 1.844 0 50 CDAA CC[C@@H](CNC1CSCCSC1)N1CCOCC1 67714564 QNORZEADUMRSLV-ZDUSSCGKSA-N 290.498 1.535 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC(N)CC2)c(F)c1 237728494 XCDSKJBQYMUBPZ-UHFFFAOYSA-N 272.345 1.246 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc[nH]1 249688648 IILQGTCZUSMBLT-CHWSQXEVSA-N 262.357 1.499 0 50 CDAA CNC(=O)[C@@H](C)N[C@H]1C[C@H](C)CN(Cc2ccccc2)C1 136479861 UGSKPQVQUBTFMY-LZWOXQAQSA-N 289.423 1.621 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 66324409 AFBZDBVIWMIHPG-NSHDSACASA-N 271.357 1.927 0 50 CDAA CC(C)c1nccn1CCCNC(=O)c1cnccn1 67676432 UUIQGEOBOCCYLP-UHFFFAOYSA-N 273.340 1.617 0 50 CDAA O=C(Nc1nccs1)N[C@H]1CCN2CCCC[C@@H]12 229192319 BAOVAWBXCGDGGU-UWVGGRQHSA-N 266.370 1.891 0 50 CDAA NCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 122473173 ULWHVOKZNXGENO-UHFFFAOYSA-N 286.250 1.082 0 50 CDAA CCN(C(=O)CN1CCCO[C@@H](CN)C1)C1CCCCC1 313357863 UKKAWZHRTUFFGB-HNNXBMFYSA-N 297.443 1.217 0 50 CDAA CCN1CC[C@H]2OCCN(Cc3cncn3C(C)C)[C@H]2C1 425374351 WZHJXDSRPUHQOS-JKSUJKDBSA-N 292.427 1.759 0 50 CDAA c1ccc(-c2nnnn2C[C@@H]2C[C@H]3CC[C@H]2O3)nc1 428189409 OAZHWVBCPDFPED-HOSYDEDBSA-N 257.297 1.303 0 50 CDAA CN(CC(=O)O)[C@H]1CN(CCCC2CCCC2)C[C@H]1O 328606185 QRUHGSSOAHIBDU-UONOGXRCSA-N 284.400 1.018 0 50 CDAA O=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCc1cscn1 262840525 CYCLOVJFBXQXRT-NDMJEZRESA-N 294.376 1.787 0 50 CDAA Cc1ccc(C(N)=O)cc1NC(=O)c1cccc(C(=O)O)n1 362492300 KNJLEPIQUWMJLE-UHFFFAOYSA-N 299.286 1.439 0 50 CDAA Cn1cncc1CN1C(=O)[C@@H]2CCCCCN2C1=O 378001546 ZSVGERFKKWIZAO-NSHDSACASA-N 262.313 1.127 0 50 CDAA CN(C)[C@H](C(=O)N1CC(O)(C2CC2)C1)c1ccccc1 364045615 VKVUNUKLJBLHBW-AWEZNQCLSA-N 274.364 1.273 0 50 CDAA FC(F)(F)c1cccnc1NC[C@H]1CNCCOC1 72148746 NDBDTWNHFWNFQD-SECBINFHSA-N 275.274 1.748 0 50 CDAA CCOc1cc(C(=O)N2CCO[C@H](c3ccco3)C2)on1 450077187 VWCMLACJBRLAEK-LBPRGKRZSA-N 292.291 1.880 0 50 CDAA Cc1cc(C)cc([C@H](C)NS(=O)(=O)c2cnnn2C)c1 330175863 ZZPATGSDWXEFOA-NSHDSACASA-N 294.380 1.471 0 50 CDAA C[C@]1(C(=O)Nc2cnn(CC(=N)O)c2)CCCOC1 330767436 LKWRLSUGNPBRQJ-LBPRGKRZSA-N 266.301 1.174 0 50 CDAA COc1cc(C(=O)N[C@@H](C)Cc2c(C)noc2C)on1 153345813 VGZNTHKZKZLKPC-ZETCQYMHSA-N 279.296 1.649 0 50 CDAA CC(C)(C)n1ncnc1Cn1c(CO)nc2ccccc21 282238098 PSSOODJBNQBNTH-UHFFFAOYSA-N 285.351 1.923 0 50 CDAA O=C(NC[C@@H]1COc2ccccc21)c1csc(O)n1 335196591 VDOSAGYCTJYENT-MRVPVSSYSA-N 276.317 1.755 0 50 CDAA CCCCS(=O)(=O)N(C[C@@H]1CCC(=O)N1)C(C)C 416630694 DAWYAKAQJRACRE-NSHDSACASA-N 276.402 1.105 0 50 CDAA c1cc(O[C@@H]2CCN(Cc3cnc4[nH]ccnc3-4)C2)ccn1 367941371 HJGFGCMTVBJSPW-CQSZACIVSA-N 295.346 1.958 0 50 CDAA Cc1cccc2[nH]c(CCNC(=O)CN3CCCC3)nc12 214981371 YOHDYOOWNBFDPM-UHFFFAOYSA-N 286.379 1.626 0 50 CDAA N[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCN2)C1 333133463 JWHYWBKTYMNYFG-CAEXGNQWSA-N 251.418 1.767 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@H]2CN)ccc1-n1cncn1 237684130 AJOIJWRKEFLAHQ-CQSZACIVSA-N 299.378 1.529 0 50 CDAA COC[C@@H]1CCN(C(=O)N2CC[C@@]3(CCOC3)C2)C1 334212155 RGTRIOKDWGXEQX-TZMCWYRMSA-N 268.357 1.187 0 50 CDAA CC(C)(C)OC(=O)NCc1ccc(C(N)=O)cc1 48380529 PMINPRFNLNPWDV-UHFFFAOYSA-N 250.298 1.810 0 50 CDAA Cc1ccc(CNC(=O)C[C@H]2CCCC(=O)N2)cc1F 377159624 SLUACWCPFMJJHM-GFCCVEGCSA-N 278.327 1.809 0 50 CDAA CCO[C@@H]1C[C@H](Nc2cccc(C(=O)O)n2)[C@]12CCCO2 262964798 AJNSPOMXTMAQAJ-YWPYICTPSA-N 292.335 1.918 0 50 CDAA Cc1nc(N)ncc1C(=O)NCCCC[C@H]1CCCO1 221291366 OBKBSUWXESFHRD-NSHDSACASA-N 278.356 1.446 0 50 CDAA COc1cccc(CCC(=O)NC[C@H]2CCOC2)c1 41370823 LLSWLFOJTOWIFD-CYBMUJFWSA-N 263.337 1.781 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@H]2CCCC[C@H]2O)CC1 49882562 HPEUFZJDMPYRGN-QWHCGFSZSA-N 284.400 1.843 0 50 CDAA CCc1nnc(CNC(=O)C(C)(C)N2CCCC2)s1 426667530 QIRCYLGCKVZKML-UHFFFAOYSA-N 282.413 1.591 0 50 CDAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2c[nH]c(=O)cn2)C1 95529957 RPPFKBCBCLSPCH-QGZVFWFLSA-N 297.358 1.964 0 50 CDAA COC(=O)c1ccc(OC)c2nc(N)nc(Cl)c12 91692835 VHFLNUYXZQXWOZ-UHFFFAOYSA-N 267.672 1.661 0 50 CDAA CN(C[C@H]1Cc2ccccc2O1)C(=O)CCc1cnccn1 426526064 KCEBSSPVLYJMCK-OAHLLOKOSA-N 297.358 1.871 0 50 CDAA Fc1cccc(-n2ncnc2CCn2cccn2)c1 91391341 PBUFQRGBEWYDAD-UHFFFAOYSA-N 257.272 1.846 0 50 CDAA COC(=O)Cc1cc(Br)ccc1C(=O)OC 95217918 HHGOFKSYBIJJTF-UHFFFAOYSA-N 287.109 1.951 0 50 CDAA CC(C)(CO)CNC(=O)N1CC(Oc2ccc(F)cc2)C1 426358687 XVPXDAFVLOPKIR-UHFFFAOYSA-N 296.342 1.617 0 50 CDAA CCc1cccc2c(CCNC(=O)[C@@H]3CCNC3)c[nH]c12 237005479 BVXRGBFVCRNYGT-CQSZACIVSA-N 285.391 1.999 0 50 CDAA O=C(CCCN1CCCCC1)NCCc1cnccn1 95362208 TVAGUUZAFPFAGV-UHFFFAOYSA-N 276.384 1.401 0 50 CDAA O=C(N[C@@H]1CCNC1)c1ccc(N2CCCCCC2)nc1 178454437 JKCXQDGQZIPEMJ-CQSZACIVSA-N 288.395 1.554 0 50 CDAA N=c1[nH]c2nc(=N)c(-c3cccc(Cl)c3)nc-2c(N)[nH]1 526061669 ZWNKKZSRANLVEW-UHFFFAOYSA-N 287.714 1.099 0 50 CDAA in-vitro CC1(C)CN(C(=O)C2[C@@H]3CCC[C@@H]23)CC[S@]1=O 245338730 OBXZYYRNILKJBD-VHCOLVSPSA-N 255.383 1.402 0 50 CDAA Cc1cccn2cc(CNC(=O)CCCn3cccn3)nc12 346569313 RWGUFHDZDXBIFY-UHFFFAOYSA-N 297.362 1.936 0 50 CDAA O=C(C1CC1)N1CCCN(CC[C@@H]2CCOC2)CC1 438294662 SDGQRGOWUSIWFT-CYBMUJFWSA-N 266.385 1.357 0 50 CDAA O=C(O)Cn1ccc(NC(=O)c2ccc3c(c2)CCC3)n1 181797715 GCMRXARRWUYAGY-UHFFFAOYSA-N 285.303 1.709 0 50 CDAA CCc1cc(NCCn2cncn2)nc(N2CCCC2)n1 534651777 ZAFJXKFOKWBVFJ-UHFFFAOYSA-N 287.371 1.343 0 50 CDAA CC(C)C[C@H](NC(=O)CCc1cccn1C)C(=O)O 534647214 BLGXTFLECURTHO-LBPRGKRZSA-N 266.341 1.573 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 299745128 WJLFKQTVBLBGPD-NWDGAFQWSA-N 289.331 1.876 0 50 CDAA C[C@H](NC(=O)CCc1ccc2c(c1)OCCCO2)C(=O)O 299752501 UIHCACDGGFXQBL-JTQLQIEISA-N 293.319 1.370 0 50 CDAA CC(C)[C@@H](NC(=O)CCc1ccccn1)c1ncnn1C 534666267 UAYBJBBQHIMYTD-CQSZACIVSA-N 287.367 1.656 0 50 CDAA Cc1nn(C)c(C)c1NC(=O)N1CCSCC1 271606212 WIDKRIJAZYWIOI-UHFFFAOYSA-N 254.359 1.618 0 50 CDAA O=C(C[C@H]1CCOC1)NCCCn1cc(Cl)cn1 827809619 VRGIRDSQJUFXIJ-SNVBAGLBSA-N 271.748 1.469 0 50 CDAA CCC(=O)N1CCC(C(=O)N2CCCC[C@H]2CCO)CC1 828743202 NAPFOVPAOACOEX-AWEZNQCLSA-N 296.411 1.399 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCCN=c2cc[nH]cc2C)n1 821508300 ACJBYXDNNRPORH-CQSZACIVSA-N 287.411 1.715 0 50 CDAA COCCC(=O)NCC1(N2CCCCC2)CCCC1 670450778 UPPNKBJMSQEEPC-UHFFFAOYSA-N 268.401 1.938 0 50 CDAA COCC[C@@H]1CN(C(=O)c2cncc(F)c2)CCO1 584892156 ULKFQTQYNNJXGN-GFCCVEGCSA-N 268.288 1.098 0 50 CDAA C[C@@H](CN(C)CCO)NC1(c2cc(F)cc(F)c2)CC1 670468612 CGFRQEFSSFIMOV-NSHDSACASA-N 284.350 1.856 0 50 CDAA OC[C@@H]1CCCN(CCNc2ncc(Cl)cn2)C1 670452039 XBDNBIJQMGIINO-SNVBAGLBSA-N 270.764 1.246 0 50 CDAA Cc1nnsc1C(=O)N[C@H](C)c1ccn(C)n1 1335951811 LOTLXXZQGYDRCZ-ZCFIWIBFSA-N 251.315 1.071 0 50 CDAA Cc1conc1NC(=O)Cn1ncc2ccccc2c1=O 1330103411 AHEIPYPRSUASTI-UHFFFAOYSA-N 284.275 1.332 0 50 CDAA O=C(NCC1CCN(c2cnsn2)CC1)[C@@H]1CC12CC2 952870187 WPXYACSDAMDUDZ-NSHDSACASA-N 292.408 1.671 0 50 CDAA COC1(C)CN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 1551500543 ZSHFUXPDUYRIIJ-CHWSQXEVSA-N 275.352 1.041 0 50 CDAA COc1cc(Br)cc(S(N)(=O)=O)c1 67799998 MIOYHODZZFACDK-UHFFFAOYSA-N 266.116 1.105 0 50 CDAA in-vitro Cc1csc([C@@H](C)NC(=O)c2cc(N)n[nH]2)n1 80640000 GQEACFBFDCRGJJ-ZCFIWIBFSA-N 251.315 1.248 0 50 CDAA COCCO[C@H]1CCN(c2noc(C(C)(C)C)n2)C1 302513239 GPFISXOGVHAOGQ-JTQLQIEISA-N 269.345 1.609 0 50 CDAA CC[C@H]1C[C@H](C(=O)N2CCc3n[nH]cc3C2)CCO1 408159134 PNHZPKVKBJIICN-PWSUYJOCSA-N 263.341 1.500 0 50 CDAA Nc1ccnc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)n1 275977676 OAXKSZQIBLIHKQ-CYBMUJFWSA-N 298.394 1.998 0 50 CDAA O=C1C[C@]2(CCSC2)C(=O)N1CCN1CCCCC1 170614878 AGDHVOXCHWJFSU-AWEZNQCLSA-N 282.409 1.355 0 50 CDAA CO[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCN(CC2CCCC2)C1 188207428 BFIVBXCDDGYCJB-GZBFAFLISA-N 297.443 1.974 0 50 CDAA Cc1nn(C)c(C)c1CCNC(=O)[C@H]1CCCO[C@@H]1C 188504173 NZUUEUIKXZUNDY-OCCSQVGLSA-N 279.384 1.511 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NCc2ccon2)C1(C)C 190020305 SFGBWYZSARPKNG-YPMHNXCESA-N 254.330 1.330 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1cc(OC)ccc1F 643764403 WYOHQZZCULEZDH-HNNXBMFYSA-N 296.342 1.301 0 50 CDAA Cc1ccc(OC[C@@H](O)CN2CCOCC2)cc1F 193438911 GLZNPRLZXNVUIJ-LBPRGKRZSA-N 269.316 1.206 0 50 CDAA Cc1c(CN(C)C(=O)c2ncn(C(C)(C)C)n2)cnn1C 583058352 JGUBXKAQKZBUPU-UHFFFAOYSA-N 290.371 1.347 0 50 CDAA CCc1ccc2occ(C(=O)NCCNC(=O)NC)c2c1 585087972 FAAOHIHUFXAUCP-UHFFFAOYSA-N 289.335 1.654 0 50 CDAA Cn1cc([C@@H]2CCN(Cc3ncccc3O)C2)cn1 585084422 VLQOVRRQYPJRGM-LLVKDONJSA-N 258.325 1.510 0 50 CDAA O=C(NCc1nccs1)[C@H]1CCC[C@@H]2CCCN21 585121981 ITLGEJIXZWZLIZ-GHMZBOCLSA-N 265.382 1.776 0 50 CDAA O[C@@H](CN1CCCNc2ccccc21)Cn1cccn1 585137991 GLOKZRYPZODQTQ-ZDUSSCGKSA-N 272.352 1.566 0 50 CDAA Cn1cncc1COC(=O)c1cccc2c[nH]nc12 754688161 WJVVEZUTZVCYMZ-UHFFFAOYSA-N 256.265 1.653 0 50 CDAA O=C1CCC[C@@H](CN2CCC=C(Br)C2)N1 1875272726 FAHZCHNEZHAPKV-JTQLQIEISA-N 273.174 1.640 0 50 CDAA CC=CC[S@@](=O)CC(=O)N1C[C@@H](C)C[C@@H](C)C1 1857533272 WREYVCDDDHMFLG-BWACUDIHSA-N 257.399 1.816 0 50 CDAA COCCn1ccnc1CN(C[C@@H]1CCC(=O)N1)C(C)C 1506398050 SWLBFYVVGHDPQI-ZDUSSCGKSA-N 294.399 1.019 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(c2ncc(Cl)cc2Cl)C1 310111823 FUMJBURECPPKKL-DTWKUNHWSA-N 277.151 1.974 0 50 CDAA O=C([C@H]1CCc2ccccc21)N(CCO)Cc1ncc[nH]1 1704312686 IJWJFBDIDFRVFP-AWEZNQCLSA-N 285.347 1.461 0 50 CDAA Cc1cc(NC(=O)CN2CCNCC2)ccc1Cl 22917515 ZFLWFFGHBLRKGT-UHFFFAOYSA-N 267.760 1.492 0 50 CDAA in-vitro Cc1nc[nH]c1CN(CCO)C(=O)C1(C)CCCC1 1704312477 CVDBYGCHQQDUHZ-UHFFFAOYSA-N 265.357 1.619 0 50 CDAA NC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 1237691 LATZCEJEQWOAMK-RMKNXTFCSA-N 262.290 1.208 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)COCC(F)(F)F 158497370 NQDZDMRWHZNOPT-SSDOTTSWSA-N 269.219 1.031 0 50 CDAA CC[C@H]1CN(C(=O)c2ccc(O)cc2F)CCO1 161774745 KXVPDMBZGFUKET-JTQLQIEISA-N 253.273 1.782 0 50 CDAA Cc1nsnc1C(=O)NCCn1cnc(C)c1C 1775981859 JGUJIVRPYHLDJX-UHFFFAOYSA-N 265.342 1.090 0 50 CDAA CN1C[C@@H](CN2CCc3ccc(O)cc3C2)CCC1=O 1775979703 ODJLQBSSYQJMQS-LBPRGKRZSA-N 274.364 1.619 0 50 CDAA CCN1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 16579250 NIUPXNMFQMJLJQ-UHFFFAOYSA-N 282.409 1.462 0 50 CDAA COc1ccc(CNCC2(O)CCOCC2)c(OC)c1 112717023 AEMZXDONAVJDBX-UHFFFAOYSA-N 281.352 1.335 0 50 CDAA O=C(NCc1ccccc1F)N[C@H]1CCc2ncnn2C1 112712405 CQUKZIVYIQHQKO-NSHDSACASA-N 289.314 1.231 0 50 CDAA CN1CC[C@@H](CNCc2ccnn2C)[C@@H]1c1cccnc1 328626064 DUBKONUHPGRAAC-HOCLYGCPSA-N 285.395 1.598 0 50 CDAA Cc1ccnc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 133553194 JNAFATGGQNXFDG-SNVBAGLBSA-N 272.312 1.118 0 50 CDAA CC(=O)c1ccccc1OCCCN1CCN(C)CC1 19815144 MRFZHPSDEBJSSM-UHFFFAOYSA-N 276.380 1.906 0 50 CDAA C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@H]1CC[C@@H](N)C1 263258883 LPYHWIFDPIVHDG-VHDGCEQUSA-N 287.407 1.681 0 50 CDAA Cc1nccn1CC(=O)Nc1cccc(CCC(=O)O)c1 909510596 JQBLCYKRIKJRSD-UHFFFAOYSA-N 287.319 1.847 0 50 CDAA CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2nc[nH]n2)o1 931142092 KUEZMFMYKRDPBC-JTQLQIEISA-N 296.352 1.138 0 50 CDAA CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ccnc2ccnn12 934982730 YQJGXZXBHVHTAD-OTYXRUKQSA-N 287.323 1.418 0 50 CDAA Cc1ccnc(NC[C@H]2C[C@H](c3n[nH]c(C)n3)C[C@H]2O)c1 856774215 PVBKIPBELJUZDX-YNEHKIRRSA-N 287.367 1.783 0 50 CDAA O=S(=O)(C1CC1)N1CCN(c2cccc(O)c2)CC1 126264935 YDTUIQMLUUUONY-UHFFFAOYSA-N 282.365 1.006 0 50 CDAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)c1ncnc2[nH]ccc12 952890653 XUPBOHYKDJGJQT-MWLCHTKSSA-N 299.338 1.085 0 50 CDAA COCc1ccnc(NC(=O)N[C@H]2CO[C@@H](C3CC3)C2)n1 1875296649 HEEIOSPQEFXVOV-VXGBXAGGSA-N 292.339 1.312 0 50 CDAA CN(c1cc(O)nc2cnccc12)[C@H]1C[C@@H](C(N)=O)C1 1875295459 YRXPFSPSAJODCD-DTORHVGOSA-N 272.308 1.036 0 50 CDAA CCOC(=O)c1nc(=N[C@H]2CCc3ncccc3C2)cc[nH]1 1875275227 GUFZNDUAGXRJKX-LBPRGKRZSA-N 298.346 1.440 0 50 CDAA Cc1c(Cl)cccc1CNC(=O)[C@H]1CCCC(=O)N1 1875296571 DOGDODCZVVACIR-GFCCVEGCSA-N 280.755 1.933 0 50 CDAA O=C(NC[C@@H]1C[C@@H]2CCCC[C@H]2O1)[C@@H]1CCCO1 1875297954 JQLPRNDQLWVZOS-RVMXOQNASA-N 253.342 1.629 0 50 CDAA C[C@@H]1N(C[C@@H](O)CC2(c3nn[nH]n3)CC2)CCC1(C)C 1875330853 FIMUAVFZUXFOBY-QWRGUYRKSA-N 279.388 1.103 0 50 CDAA CN(C(=O)N1C[C@@H]2CCN[C@@H]2C1)C1CCCCC1 1875324145 JGHFYMZVWOLTLX-WCQYABFASA-N 251.374 1.665 0 50 CDAA CC1(C)CNC(=O)[C@H]1NC[C@@H]1CCCN1c1ccccc1 1875392508 GHBOWWOTFDOGPM-LSDHHAIUSA-N 287.407 1.770 0 50 CDAA COc1ccc2[nH]c3c(=O)n(C4CCNCC4)ncc3c2c1 899364443 VXIZPBOIGLNXOA-UHFFFAOYSA-N 298.346 1.811 0 50 CDAA Cc1c(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)cnn1C 237376334 KAXWXLLHZGCNDU-MRVPVSSYSA-N 265.313 1.054 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1ccc2c(c1)CCC2 263199309 JRKGOLWQUAZDJB-BETUJISGSA-N 259.305 1.768 0 50 CDAA O=C(C[C@@H]1C=CCC1)N1CCC(c2ncn[nH]2)CC1 82981315 LTQZOMONDYSEPN-LLVKDONJSA-N 260.341 1.867 0 50 CDAA Cc1csc([C@H]2CN([C@H]3CCCN=C3O)CCO2)n1 328614451 RCNMKFVULQGOOB-WDEREUQCSA-N 281.381 1.944 0 50 CDAA Cc1cc(C(=O)NCc2ccc(C(=O)O)cc2)ncn1 537367103 CEYOKANEMFZVKA-UHFFFAOYSA-N 271.276 1.413 0 50 CDAA N[C@H]1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)C1 335591180 NZKWLKMHZRSLSC-NSHDSACASA-N 287.285 1.948 0 50 CDAA CCOC(=O)c1nc(-c2ccccc2)c[n+]([O-])c1N 331429 MMQFRNRULJSIPQ-UHFFFAOYSA-N 259.265 1.141 0 50 CDAA O=C1CC[C@H]2CN(C(=O)NCCc3ccsc3)C[C@H]2N1 2325775960 PZDDXBPFAYMJJD-NWDGAFQWSA-N 293.392 1.211 0 50 CDAA CCCN(C(=O)c1nn[nH]c1Cl)c1nccs1 2325804500 TZENBHQGVWYUMF-UHFFFAOYSA-N 271.733 1.971 0 50 CDAA O=C(NCc1noc(C(F)F)n1)c1cncc2nc[nH]c12 2325821284 BEHJUJZRVZIQIP-UHFFFAOYSA-N 294.221 1.209 0 50 CDAA COC(=O)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 117354526 WFOPTBMQSIGXEZ-SECBINFHSA-N 273.329 1.922 0 50 CDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H](O)C(F)(F)F 248484695 KEYQXOIETYMYKI-ZRUFSTJUSA-N 295.301 1.716 0 50 CDAA CCOc1cccc(C(=O)N[C@H](CO)c2ccnn2C)c1 458176730 XQQAAKUAWMNJIK-CYBMUJFWSA-N 289.335 1.282 0 50 CDAA COc1ccc2c(c1)O[C@](O)(C(F)(F)F)CC2=O 185379 NEVMHUGOCDUYCY-JTQLQIEISA-N 262.183 1.911 0 50 CDAA Cc1cc(C)c(NC(=O)CSc2nnnn2C)c(C)c1 240343 BGPSHQRBIWAJGG-UHFFFAOYSA-N 291.380 1.866 0 50 CDAA CCCn1nnc(NC(=O)c2ccc(C)c(C)c2)n1 470794 VQEVVOOCFPFKCY-UHFFFAOYSA-N 259.313 1.952 0 50 CDAA CC(=O)CC(=O)N(C(=O)CC(C)=O)c1ccccc1C 1763384 OPJGBIZKNKLMSX-UHFFFAOYSA-N 275.304 1.813 0 50 CDAA O=C(CCc1cccc(Cl)c1)N1C[C@H](O)C[C@@H](O)C1 2356154746 ICNYYCDXXBZEPW-CHWSQXEVSA-N 283.755 1.227 0 50 CDAA COc1cc2c(cc1-c1nc(N)c3cnn(C)c3n1)OCO2 2356166695 JRIUOVZLQOHMTP-UHFFFAOYSA-N 299.290 1.350 0 50 CDAA CN1CCC(NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 2872595 SRRVBVOXXYADTJ-SNVBAGLBSA-N 265.184 1.781 0 50 CDAA CC(C)[C@@]1(C)N=C(c2ncccc2C(=O)O)NC1=O 4747578 CLQMBPJKHLGMQK-CYBMUJFWSA-N 261.281 1.071 0 50 CDAA in-vitro COc1ccc([C@@H](C(=O)O)N2CCOCC2)cc1 8699031 KVVFCUTZDRVVRA-LBPRGKRZSA-N 251.282 1.153 0 50 CDAA CO[C@@H]1C[C@@H]2C(=O)N([C@H](C)C(C)(C)C)C(=O)N2C1 225451526 ZOGZJFDQJGVTDR-OPRDCNLKSA-N 254.330 1.473 0 50 CDAA Cc1nnc(NC(=O)N2CCN(C(C)C)[C@@H](C)C2)s1 55370236 QOCOAEHEEXZBDP-VIFPVBQESA-N 283.401 1.793 0 50 CDAA CN(CC(F)(F)F)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 227774365 YZQXKHFXTXXHSB-FXQIFTODSA-N 280.246 1.538 0 50 CDAA O=C(NCCCn1ccnc1)c1cc(F)cc(F)c1 22250869 YNKYEWLVNAVUTK-UHFFFAOYSA-N 265.263 1.981 0 50 CDAA OCC1(O)CCN(CCc2nc3ccc(F)cc3[nH]2)CC1 67846760 PNCDNKUACKWIPS-UHFFFAOYSA-N 293.342 1.064 0 50 CDAA CO[C@H]1C[C@@H](CN(C)Cc2ncc(C)o2)N(C)C1 345151365 RBKXVIXGSWQBAO-RYUDHWBXSA-N 253.346 1.134 0 50 CDAA CCCCn1cc[n+](CCCCS(=O)(=O)O)c1 25724506 DTSDUBQXWJFKTP-UHFFFAOYSA-O 261.367 1.244 0 50 CDAA COc1ccc(F)cc1[C@H](C(=O)O)N(C)Cc1cc[nH]n1 63856376 PWZKANCMAXHOKI-CYBMUJFWSA-N 293.298 1.815 0 50 CDAA CCN(Cc1ccc(C)o1)c1cc(CCN)ncn1 67921493 ZFXHZHVAUBTNON-UHFFFAOYSA-N 260.341 1.906 0 50 CDAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 32904143 QRICAVWHKYEMDQ-GFCCVEGCSA-N 282.384 1.130 0 50 CDAA Cc1nn(CC(=O)O)c(=O)n1-c1ccc(C(C)(C)C)cc1 1402316 UCVBGNHJAPDQOM-UHFFFAOYSA-N 289.335 1.725 0 50 CDAA CN(C/C=C/C(=O)N[C@H]1CCCOC1)CC(F)(F)F 492827804 GQIMBSHAUXTVLF-FWYAXHSGSA-N 280.290 1.332 0 50 CDAA COc1ncccc1C(=O)N[C@H]1CCN2CCCC[C@@H]12 229387389 VBFWUNCWHZNUBX-STQMWFEESA-N 275.352 1.447 0 50 CDAA Cc1nnc([C@@H]2CN(C(=O)c3cscc3C)CCO2)o1 328609537 DTQOOVRLUQXQKT-NSHDSACASA-N 293.348 1.962 0 50 CDAA CNc1cc(-c2ccnc3c2ccn3C)nc(N)n1 77515954 WOIRTCATXARMMR-UHFFFAOYSA-N 254.297 1.654 0 50 CDAA O=C(CCn1cnnc1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 71762533 ANSGYJDHLNATRU-MPZDIEGVSA-N 260.341 1.173 0 50 CDAA O=c1[nH]c(COc2ccc(Cl)cc2)nc2c1CCNC2 77338561 ZAEPJBQUPQSXME-UHFFFAOYSA-N 291.738 1.648 0 50 CDAA Cc1ccnc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 359303302 PJBJVLFCTDVKRZ-MJBXVCDLSA-N 262.353 1.756 0 50 CDAA CCn1nnc(C)c1C(=O)N1CCc2cccc(F)c21 333807032 FQMGVTBXOUEKDU-UHFFFAOYSA-N 274.299 1.948 0 50 CDAA CCN(C)C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 366155472 NTVOZWYHLGATMQ-NXEZZACHSA-N 283.372 1.513 0 50 CDAA Cc1ncc2n1CC[C@H](C(=O)N1CCC[C@@H]1c1cc[nH]n1)C2 329603990 YRQYQNBBXWYTCM-SWLSCSKDSA-N 299.378 1.841 0 50 CDAA O=C(c1ccc(N2CCCC2)c(F)c1)N1CCCNCC1 237908616 LIIIQYXDLXMEMG-UHFFFAOYSA-N 291.370 1.861 0 50 CDAA CN1CC[C@@H](N(C)C(=O)c2nc3ccccn3c2F)C1 215900440 RLDCSWZBRSAKSM-SNVBAGLBSA-N 276.315 1.250 0 50 CDAA CCn1nnc(C)c1C(=O)NC[C@]1(O)CCCC1(C)C 333078519 LKXIDPDTOWRUBG-CQSZACIVSA-N 280.372 1.277 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]2(CN)C(=O)O 219053212 PIJOTKMVIRRBKQ-CQSZACIVSA-N 284.356 1.437 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)Cc1ccc(SC)cc1 218913410 YVBCADVVCSXNQB-ZIAGYGMSSA-N 295.404 1.871 0 50 CDAA COC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C(=O)O 263145096 YPJCGVFXWATEAS-AUTRQRHGSA-N 299.273 1.284 0 50 CDAA C[C@@]1(NC(=O)[C@H]2CCCCC(=O)N2)CC=CCC1 335581592 ZIBQOMUQYISPGT-BXUZGUMPSA-N 250.342 1.660 0 50 CDAA CC(C)CC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 220719768 PIYQGKRTDRKQIG-CHWSQXEVSA-N 298.408 1.980 0 50 CDAA COCc1cc(CNC2=NCCCCN2)ccc1F 521396949 OPEBDECDDRDLAA-UHFFFAOYSA-N 265.332 1.801 0 50 CDAA Cc1nc(CC(=O)N2CCCC[C@H](N(C)C)C2)cs1 82115012 BEPPSEALHAMRMF-ZDUSSCGKSA-N 281.425 1.937 0 50 CDAA O=C(NCCCCc1ccccc1)N1CC[C@H](O)[C@H](O)C1 426518010 YNXYLEZOTHNRRC-LSDHHAIUSA-N 292.379 1.146 0 50 CDAA CCC[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H]1NC(C)=O 82127488 HZXJGSAOZFOVTQ-GHMZBOCLSA-N 288.355 1.094 0 50 CDAA CN1CCC(CCC(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 426606698 FMJDZCZCRHRZAA-AWEZNQCLSA-N 290.411 1.505 0 50 CDAA Cn1ccnc1-c1cccc(C(=O)NCC2CCNCC2)c1 426549184 OSZJEDUXSCPOPI-UHFFFAOYSA-N 298.390 1.817 0 50 CDAA CC[C@H](NC(=O)CCCN1Cc2ccccc2C1)C(=O)O 426387044 GTTVDCDWKNZLOU-AWEZNQCLSA-N 290.363 1.762 0 50 CDAA Cc1nnc([C@H](C)NC(=O)c2sc(C)nc2C)[nH]1 286391921 NTQLTKHMMGTZQA-LURJTMIESA-N 265.342 1.677 0 50 CDAA CCCn1ccnc1CNC(=O)[C@H]1CCC[C@@H](O)C1 222999198 QWXSIXHDAYFCKC-NWDGAFQWSA-N 265.357 1.460 0 50 CDAA CCN(CCOC)C(=O)NCc1c(C)n[nH]c1C 426658534 SULZLJVQCHCAJB-UHFFFAOYSA-N 254.334 1.204 0 50 CDAA O=C(Cc1ccc(F)cc1F)NCCSc1cn[nH]n1 221381616 DXIAHQYVKDSFKQ-UHFFFAOYSA-N 298.318 1.534 0 50 CDAA c1nc([C@H]2COCCO2)n(Cc2ccc3c(c2)OCO3)n1 97815272 MONQKXCXHGYDDG-CYBMUJFWSA-N 289.291 1.143 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2C)C1 179010149 RDOSLYGEZAXDMR-LBPRGKRZSA-N 292.379 1.694 0 50 CDAA C[C@@H](C(N)=O)n1cc(-c2ccccc2N(C)C)cn1 96132733 UICTYGHCGNTLIF-JTQLQIEISA-N 258.325 1.662 0 50 CDAA C[C@H]1CN(C(=O)CCCOc2ccc(F)cc2F)CCN1 237580964 XLLFBPNWAPVHKK-NSHDSACASA-N 298.333 1.944 0 50 CDAA O=C([C@@H]1CCCN1)N1CCC(OCc2ccccc2)CC1 177950174 ZNKCTICMDUNXGM-INIZCTEOSA-N 288.391 1.946 0 50 CDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCNC1 237662025 BACNUXLKWWPVLG-QWHCGFSZSA-N 273.380 1.463 0 50 CDAA COc1ccc(-n2nc(C3CC3)nc2CNC(N)=O)cc1 95511671 HXZKXTBZECYVIB-UHFFFAOYSA-N 287.323 1.322 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](CN)C2)nn1-c1ccccc1 178549834 ZTYBITPGYUGUQC-CYBMUJFWSA-N 284.363 1.602 0 50 CDAA CCC[C@H]1CN(C(=O)CCn2c(C)cccc2=O)C[C@@H]1N 91678345 JJNHFQYNTONMQC-KBPBESRZSA-N 291.395 1.133 0 50 CDAA C[C@H]1CN(Cc2nnc(-c3cccnc3)o2)CCCO1 244678873 ILQKFAFHBIERBL-NSHDSACASA-N 274.324 1.742 0 50 CDAA O[C@H]1COCCN(CCn2ccc3cc(Cl)ccc32)C1 295745798 WYXHWGQWRNGYIU-CQSZACIVSA-N 294.782 1.988 0 50 CDAA CCn1ncc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C 252430988 XJLVUQDJOYMANH-XRRVDJEJSA-N 289.335 1.673 0 50 CDAA Cc1nocc1CNC[C@@H]1CCCO[C@H]1c1nccn1C 623330828 OHOGOMGBRKDIHV-GXTWGEPZSA-N 290.367 1.974 0 50 CDAA CSCc1noc(CN(C)Cc2cc[nH]n2)n1 252482901 DPZNQMQTNLVNKM-UHFFFAOYSA-N 253.331 1.288 0 50 CDAA O=c1cnc(Br)cn1-c1ccccc1 255189870 SQOSGDWFNSROQG-UHFFFAOYSA-N 251.083 1.995 0 50 CDAA Fc1ccc(N2CC[C@@H](NCCn3cncn3)C2)cc1 534668543 LLVYYZVZIJRVNP-CYBMUJFWSA-N 275.331 1.286 0 50 CDAA Nc1cnccc1-c1cccc(C(=O)N2CCC[C@H]2CO)c1 534674611 XFOLEWUEXJLJRM-AWEZNQCLSA-N 297.358 1.928 0 50 CDAA COc1ccc(OC)c(CNC(=O)CCc2cn[nH]c2)c1 629946601 WTFXYSJXCMTLRK-UHFFFAOYSA-N 289.335 1.676 0 50 CDAA Cc1cccc(N2CC[C@H](CNC(=O)CCC(=O)O)C2)c1 299761078 QXQJJLXNJCVQLO-CYBMUJFWSA-N 290.363 1.802 0 50 CDAA Cc1nc[nH]c1CNC1CCN(C2CCOCC2)CC1 1857720727 HFCKGXMUPCAWGP-UHFFFAOYSA-N 278.400 1.451 0 50 CDAA COC(=O)N[C@H](C)c1n[nH]c(Cc2ccc(OC)cc2)n1 824155827 GAPPCAINPOQHHD-SECBINFHSA-N 290.323 1.821 0 50 CDAA COCCCn1cnnc1CN[C@@H](C)CC(F)(F)F 584891746 CSVSLNOBQDBIDL-VIFPVBQESA-N 280.294 1.745 0 50 CDAA Cc1cccc2nc(CN(C)S(=O)(=O)N(C)C)[nH]c12 670461354 OHQURHAUEZADEW-UHFFFAOYSA-N 282.369 1.110 0 50 CDAA O=C1CN(C(=O)CC(F)(F)F)[C@H]2CCCC[C@@H]2N1 132161174 JOGKHFDUVALOBK-YUMQZZPRSA-N 264.247 1.208 0 50 CDAA O[C@@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@H]1F 952986932 CBAXVVBOHSLZPK-HUUCEWRRSA-N 275.327 1.446 0 50 CDAA CCn1ncc2ncn(Cc3noc(C(C)C)n3)c(=O)c21 631018439 MBLLLMSNWTWZPA-UHFFFAOYSA-N 288.311 1.168 0 50 CDAA CC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCCC(=O)N1 572112234 XFQNCNJXIKNSDD-NWDGAFQWSA-N 266.341 1.015 0 50 CDAA COc1cc(C)cnc1C(=O)Nc1nnc(C)n1C1CC1 671596284 LFJQQQFUXPJWTJ-UHFFFAOYSA-N 287.323 1.886 0 50 CDAA CO[C@@H](C)c1nc(CN(C)C(=O)N(C)C)cs1 170021964 WCKIPIQWHIEQIO-QMMMGPOBSA-N 257.359 1.964 0 50 CDAA Cc1nnc(CN[C@@H](CO)c2ccc(F)cc2F)s1 662165160 LUFCJHFLEPYBAD-NSHDSACASA-N 285.319 1.948 0 50 CDAA COc1nccnc1NC[C@H]1CCN(C(C)C)C1 686301702 FXLXDAUOCLQJAM-LLVKDONJSA-N 250.346 1.627 0 50 CDAA CC[C@](C)(O)CN[C@H]1CCN(c2ccccc2)C(=O)C1 193093674 BVQQAERQFDZAPU-BBRMVZONSA-N 276.380 1.933 0 50 CDAA COC(C)(C)c1nc(CC(=O)NCc2ccccc2)no1 195578625 LHGRRNWOCDHQQF-UHFFFAOYSA-N 289.335 1.810 0 50 CDAA O=C(c1ccoc1Cl)N1CCC[C@](O)(c2cnn[nH]2)C1 794071374 ZXUXGFARGKQKQB-GFCCVEGCSA-N 296.714 1.175 0 50 CDAA CCCN(CC(=O)NC)C[C@@H]1CCN1C(=O)OC(C)(C)C 1615571774 NDBXTZQOSPLFSY-LBPRGKRZSA-N 299.415 1.454 0 50 CDAA Nc1ncccc1CN1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615954500 XVSZOBSTHRODHX-GJZGRUSLSA-N 284.363 1.094 0 50 CDAA FCCN1CCN(Cc2nccn2CC(F)(F)F)CC1 1616178101 VTEBJCKXZBKXEP-UHFFFAOYSA-N 294.296 1.533 0 50 CDAA O=C(Nc1ccccc1)c1ccc(-n2cnnn2)cc1 272409 DABFEBHKBHRZOH-UHFFFAOYSA-N 265.276 1.915 0 50 CDAA CN(C[C@H]1CCOC1)c1ccc(-c2nccn2C)nn1 1506426892 VUCBPEGRJZJXMA-LLVKDONJSA-N 273.340 1.350 0 50 CDAA O=C(c1ccc(-n2cnnn2)cc1)N1CCCCCC1 1326072 NIZJMTHXLYNWKY-UHFFFAOYSA-N 271.324 1.679 0 50 CDAA CC(C)n1ccnc1CNS(=O)(=O)N1CCCCC1 1506404321 GVXMFSIXBGZUNH-UHFFFAOYSA-N 286.401 1.284 0 50 CDAA CCCCOC(=O)[C@H]1C[N@@]1C(C)(C)C(=O)OCC 1857666626 PCEYMUABFCOYQS-QMTHXVAHSA-N 257.330 1.356 0 50 CDAA Cc1nc(CNC(=O)c2ccc(O)c(F)c2)n(C)c1C 1857686072 GVMFSPNTNOGZKS-UHFFFAOYSA-N 277.299 1.812 0 50 CDAA O[C@H]1CNCC[C@@H]1CNc1ncccc1C(F)(F)F 216902747 GLVRVFGNMVEUQT-SCZZXKLOSA-N 275.274 1.483 0 50 CDAA C[C@@H](N(C)C(=O)NC[C@H]1COCCO1)C1(C)CC1 408418667 ATTMLVPQGPMLRA-MNOVXSKESA-N 256.346 1.232 0 50 CDAA COC(=O)C(C)(C)c1ncc(Br)cn1 223903550 NMUCZVJMOXMYMB-UHFFFAOYSA-N 259.103 1.690 0 50 CDAA in-vitro O=C1Nc2cc(I)ccc2C1=O 5945548 PHKAOEGXBSERHX-UHFFFAOYSA-N 273.029 1.426 0 50 CDAA in-vitro O=C(c1ccc(Cl)cc1)N1CCC(O)(O)CC1 139474860 ISWSAGFSCKJOHJ-UHFFFAOYSA-N 255.701 1.257 0 50 CDAA CN(CCc1ccc(F)cc1)C(=O)C1(C(=O)O)CC1 154820692 YYHIGSQLIMJPIR-UHFFFAOYSA-N 265.284 1.691 0 50 CDAA Cc1cc(Cl)cc(C(=O)NC[C@@](C)(O)C(=O)O)c1 157502763 YTKKFCOCMSHBEI-GFCCVEGCSA-N 271.700 1.214 0 50 CDAA Cc1csc2c(=O)n(CCc3cnn(C)c3)cnc12 230900852 GQGVXSVMIOIBAU-UHFFFAOYSA-N 274.349 1.743 0 50 CDAA Cc1ccc(N2CCN(CC[C@H]3COCCO3)CC2)cc1 1775980337 YTVOOZGDQVZVLE-KRWDZBQOSA-N 290.407 1.923 0 50 CDAA CC(=O)c1cnc(NCc2nnc3ccccn23)nc1C 1772704822 PSCWPFSJXAKEIC-UHFFFAOYSA-N 282.307 1.642 0 50 CDAA CCOc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 5937391 YINSAELHVGVKSS-SNVBAGLBSA-N 273.354 1.399 0 50 CDAA Cc1cccc(NC(=O)c2cccc(-n3cnnn3)c2)n1 12324978 ODDUKNVMFPBVIZ-UHFFFAOYSA-N 280.291 1.618 0 50 CDAA CCOC(=O)C1CCN(C[C@@H](O)COC2CCCC2)CC1 12419924 DDDDSBLKSQZIAX-CQSZACIVSA-N 299.411 1.582 0 50 CDAA NC(=S)Nc1cccc(-c2nnc(S)o2)c1 13687868 KFAWKOUHFJUSDS-UHFFFAOYSA-N 252.324 1.681 0 50 CDAA CC[C@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2CCOC 14740827 KXMJHDDDTGHTTO-LBPRGKRZSA-N 297.399 1.160 0 50 CDAA COc1cc(C(=O)O)c(C(=O)O)c(OC)c1OC 14775589 CKPSXGZBWZVAEY-UHFFFAOYSA-N 256.210 1.109 0 50 CDAA Cc1ccc(C)c(OC[C@H](O)CN2CCN(C)CC2)c1 19790778 OXAYFJBTRHHFMY-OAHLLOKOSA-N 278.396 1.291 0 50 CDAA Fc1cccc(Cl)c1CNCCN1CCOCC1 19871905 WSYQOQKVICASJG-UHFFFAOYSA-N 272.751 1.901 0 50 CDAA CCO[C@H]1CN(Cc2cccc3c2CCOC3)C[C@@H]1CN 1857532142 YBXBSVUTUVPPNG-RDJZCZTQSA-N 290.407 1.555 0 50 CDAA CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C(C)C)cn1 408361902 KIKXUQVFWPGVIJ-BUXKBTBVSA-N 283.397 1.191 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(N)=O)[C@H]2C=C[C@H]1C2 203537522 DJGMHEFBXRYKPW-XKNYDFJKSA-N 252.314 1.187 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](CC(=O)O)O[C@@H]2C1 110915687 SJCCDENKKVENNT-IVZWLZJFSA-N 271.313 1.486 0 50 CDAA CCOc1cccc(CN2CCN(C(=O)C3CC3)CC2)n1 536636348 JJCKUHFYMGHDPX-UHFFFAOYSA-N 289.379 1.535 0 50 CDAA N[C@H]1CC[C@@H](C(=O)NCCOCc2ccccc2)C1 237932424 ANCIRPZQDHSEJS-KGLIPLIRSA-N 262.353 1.447 0 50 CDAA O=C(O)CCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 238178077 ITCGCAVHVMQPMG-UWVGGRQHSA-N 269.247 1.659 0 50 CDAA N[C@H]1CC[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 335567944 IYQABHRPQKLBLQ-CVEARBPZSA-N 287.407 1.990 0 50 CDAA C[S@@](=O)c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1 136153421 PCDYYNJBHNVOAB-YBTHPKLGSA-N 295.360 1.361 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cc(C)n(C)n1 252476759 AZGOMECJTWBACX-YRRQLQLVSA-N 291.351 1.046 0 50 CDAA C[C@@H]1OC(=O)[C@@H]2[C@H](O)C[C@@H]3c4ccccc4CCN3[C@@H]12 252694573 MPEJFJFZVUSBET-BGJHODNPSA-N 273.332 1.281 0 50 CDAA biogenic Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCN(CC(F)F)C1 585130050 GMAQYTPKGPIJKH-JTQLQIEISA-N 286.326 1.025 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H](CC)c1c(C)noc1C 901219117 UYAUCCVADZCYJY-GFCCVEGCSA-N 293.367 1.893 0 50 CDAA Cn1ncc(CNC(=O)N[C@@H]2CCc3ccccc32)n1 804899454 QRFNANZEDUKLLO-CYBMUJFWSA-N 271.324 1.302 0 50 CDAA O=C(CCC1CC1)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910618090 DYNUKACDZOSIMR-MQYJIDSJSA-N 281.352 1.705 0 50 CDAA CNC(=O)c1cc(N2CC[C@H](OCC3CC3)C2)ccn1 1875295187 SQNZOOSYYRRLNH-ZDUSSCGKSA-N 275.352 1.447 0 50 CDAA CNC(=O)c1cccc(-c2nc([C@@]3(C)CCCO3)no2)n1 1875260594 UUQUGWYJMYALAP-CQSZACIVSA-N 288.307 1.517 0 50 CDAA O=C(N=c1[nH][nH]cc1Cl)c1cc2n(n1)CC1(CC1)C2 1875297668 AAWZGJFGIRVZFQ-UHFFFAOYSA-N 277.715 1.270 0 50 CDAA COc1ccccc1-c1cn(CCc2cn(C)nn2)nn1 1875272269 LAZGJWHPBPBGKS-UHFFFAOYSA-N 284.323 1.325 0 50 CDAA Cc1cc(O)nc(C(=O)N[C@@H](C)c2ccnc(C)n2)c1 1875256454 HGYVOKDNFMGMRY-VIFPVBQESA-N 272.308 1.685 0 50 CDAA COC1CC(NC(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)C1 1875345905 MJOAXHSYTMDOIE-YIZWMMSDSA-N 292.310 1.612 0 50 CDAA Cc1ccc2cc(C(=O)NS(C)(=O)=O)c(C)nc2c1 1875390743 FSQSOEUFSCYWSM-UHFFFAOYSA-N 278.333 1.541 0 50 CDAA C[C@H](N[C@H](C)Cc1ccccc1O)C(=O)N(C)C 1775989672 FLHILVDHUVDRSE-MNOVXSKESA-N 250.342 1.390 0 50 CDAA C[C@@H](C(=O)O)N(C(=O)[C@@H]1Cc2ccccc21)C1CC1 262193768 RIFKWZSSEDYBSB-TVQRCGJNSA-N 259.305 1.790 0 50 CDAA NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(N)c2)C1 262639773 YUHICXVKTVKGIK-JOYOIKCWSA-N 261.325 1.043 0 50 CDAA C[C@@H]1C[C@H](C(=O)O)CN(c2ccnc(N(C)C)n2)C1 263138941 GMWBAXUYATZHBW-ZJUUUORDSA-N 264.329 1.090 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCN3)O1 312899929 YFNRLBCTAUGZTK-NEPJUHHUSA-N 276.292 1.225 0 50 CDAA CN(C(=O)c1ccc(F)cn1)[C@H]1C[C@@H](C(=O)O)C1 659230590 SFMQOSSBPBVMBE-OTSSQURYSA-N 252.245 1.156 0 50 CDAA Cc1cc(C)nc(C(=O)N2CCOC[C@@H]2CC(=O)O)c1 383193217 AQONYSJKESIOTQ-NSHDSACASA-N 278.308 1.014 0 50 CDAA COCc1nc(-c2cc(OC)ccc2F)nn1C 2100483727 KEQSORBSRPKFLE-UHFFFAOYSA-N 251.261 1.776 0 50 CDAA N[C@@H]1CC[C@H](C(=O)N2CCCC3(CCOCC3)C2)C1 361723186 LWPICDKONWVFRJ-QWHCGFSZSA-N 266.385 1.533 0 50 CDAA c1cc2c(cc1CCN1CC[C@H](c3cnn[nH]3)C1)CCO2 2325771916 BURSZXZGFIKWQF-AWEZNQCLSA-N 284.363 1.772 0 50 CDAA O=C1NCCC[C@@H]1C(=O)N[C@@H]1C[C@]12CCCc1ccccc12 2325786890 UBLVZQFNYCUEHJ-JOQOYGCGSA-N 298.386 1.675 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)[C@@H]1C[C@@H]3CC[C@@H]31)C2 2325799827 ZPNWGAPVOILDBT-YERPJTIDSA-N 263.337 1.744 0 50 CDAA CN1C(=O)C[C@H](NC2CCSCC2)[C@H]1c1cccnc1 2332239296 DWFYYISMWHDEBL-DZGCQCFKSA-N 291.420 1.839 0 50 CDAA O=C(Oc1ccc(-c2nnco2)cc1)N1CCOCC1 79584 NLOHTQAYXWBHKO-UHFFFAOYSA-N 275.264 1.568 0 50 CDAA CC(=O)Oc1ccccc1N1C(=O)c2cccc(N)c2C1=O 241274 XJEOCQVWTMIWDT-UHFFFAOYSA-N 296.282 1.995 0 50 CDAA COc1ccc(S(=O)(=O)NC(C)C)cc1OC 249240 WCXJSSJTMZIDAN-UHFFFAOYSA-N 259.327 1.391 0 50 CDAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCC1 351219 ZGZOJPLRSBFIJM-UHFFFAOYSA-N 272.304 1.295 0 50 CDAA O=C1N=C2SC=CN2C(=O)[C@@H]1Cc1ccccc1 379368 VEXNVYPXFNBGSL-SNVBAGLBSA-N 258.302 1.788 0 50 CDAA COC(=O)CSC1=NS(=O)(=O)c2ccccc21 50541 AJCJFCAMKAYRGQ-UHFFFAOYSA-N 271.319 1.042 0 50 CDAA O=C1NCCC[C@]12CCCN2Cc1cn2ccccc2n1 2356137114 FXFIFIQZQJNGII-INIZCTEOSA-N 284.363 1.579 0 50 CDAA C[C@H]1C(=O)N(C2CC2)Cc2nnc(-c3ccccn3)n21 2356153756 UAFZXSCIOHMOJO-VIFPVBQESA-N 269.308 1.406 0 50 CDAA Cc1n[nH]c(SCC(=O)N(C)c2ccccc2)nc1=O 3229048 NOWKMJCLHSWCIJ-UHFFFAOYSA-N 290.348 1.228 0 50 CDAA CCCNS(=O)(=O)c1ccc(OCC(=O)O)c(C)c1 6728450 BDCCJHWAYFWQEZ-UHFFFAOYSA-N 287.337 1.147 0 50 CDAA CNc1nc2[nH]c(=O)c(Br)c(O)c2s1 8377627 VFGCEPXKCKWLNS-UHFFFAOYSA-N 276.115 1.494 0 50 CDAA CC1=C[C@H](C)[C@H]2C(=O)N(Cc3ccc[n+](C)c3)C(=O)[C@@H]2C1 100599095 PYBDZRRKYOKDCJ-NWANDNLSSA-N 285.367 1.598 0 50 CDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]([C@H](C)N)C1 225390231 KXOOSKASAQTAMN-AJNGGQMLSA-N 298.427 1.546 0 50 CDAA CO[C@@H]1CCC[C@H]1NC(=O)COCc1ccccc1 225469275 DYFKLPAUYWZGAG-ZIAGYGMSSA-N 263.337 1.887 0 50 CDAA COc1cccc([C@H]2C[C@@H](O)CN2CCn2cccn2)c1 225727310 UTQJVISSKLDAJG-GDBMZVCRSA-N 287.363 1.700 0 50 CDAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2c[nH]c(=O)cn2)c1 55041933 JHSNGWDMZSTPKM-NSHDSACASA-N 286.335 1.177 0 50 CDAA COc1ccc(CN2CCC(C(N)=O)CC2)c(OC)c1C 23282124 SYLSXFBZKLBFHH-UHFFFAOYSA-N 292.379 1.710 0 50 CDAA COC(C)(C)C[C@@H](C)NCCn1c(C)cc(C)nc1=O 65381000 VTZNBEWOXYNAGR-GFCCVEGCSA-N 281.400 1.653 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)COc1cccnc1 248150740 UBARREXRIDERRP-HUUCEWRRSA-N 289.379 1.546 0 50 CDAA CCc1cc(O)nc(CN2CC[C@@H](c3nc(C)no3)C2)n1 346264218 GQDISFTUJJZLLU-SNVBAGLBSA-N 289.339 1.426 0 50 CDAA Cn1nccc1CCC(=O)NCCc1nc2ccccc2[nH]1 120317463 HKUVUQNQTKXGJB-UHFFFAOYSA-N 297.362 1.588 0 50 CDAA COCC1(CNC(=O)CC(=O)Nc2ccc(C)cc2)CC1 65393713 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COc1cc(C)ccc1S(=O)(=O)/N=c1/cc(C)cc[nH]1 41096154 IFHPLPSUECQRDL-UHFFFAOYSA-N 292.360 1.930 0 50 CDAA O=C(NCCc1c[nH]cn1)c1c[nH]nc1-c1ccccc1 78811786 PWYTVSZGVWMPSK-UHFFFAOYSA-N 281.319 1.772 0 50 CDAA CN(C)c1noc(CN2CCOCc3ccccc32)n1 241707120 QMTWRAQIKSLIGV-UHFFFAOYSA-N 274.324 1.672 0 50 CDAA Cc1nn2cccnc2c1C(=O)N[C@H](C)C1CCC1 129458570 SPKSMYLDQHWEID-SECBINFHSA-N 258.325 1.956 0 50 CDAA C[C@H]1COCCN(C(=O)c2ccnc(OC(F)F)c2)C1 450224277 UFZUSPDCRTVPGR-SECBINFHSA-N 286.278 1.792 0 50 CDAA Nc1ccnc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 281234627 COEYTDZOFVJRIS-UPJWGTAASA-N 276.384 1.574 0 50 CDAA CCCO[C@H]1CCCN(C(=O)CCn2ccnc2C)C1 222344064 MSZGEWYZBMZGQC-AWEZNQCLSA-N 279.384 1.999 0 50 CDAA COc1ccc2ncc(=O)n(C3COC(C)(C)OC3)c2n1 88315018 ZDXNPYQHRJEQCB-UHFFFAOYSA-N 291.307 1.124 0 50 CDAA CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)O)c2C1 40449748 TXBGWGXWHAVLKK-UHFFFAOYSA-N 267.285 1.401 0 50 CDAA O=C(O)[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 134059667 WQOKHMRIBWKRDT-SECBINFHSA-N 261.256 1.731 0 50 CDAA Cn1cnnc1CNC(=O)C1(Cc2ccccc2)CCC1 132464801 SNWHMQINBHVSPZ-UHFFFAOYSA-N 284.363 1.844 0 50 CDAA C[C@H](C(=O)NCCCNc1cccnc1)n1ccnc1 222996071 GPSHXVVWZICRIO-GFCCVEGCSA-N 273.340 1.458 0 50 CDAA Cc1nc([C@H]2CCOC2)cc(N2CCC(CN)CC2)n1 426492728 AUBCELDWWRVJHR-ZDUSSCGKSA-N 276.384 1.464 0 50 CDAA C=CC(=O)Nc1cc(N)ccc1N1CCN(C)CC1 222157940 YUBPMZNUZHIOBP-UHFFFAOYSA-N 260.341 1.145 0 50 CDAA c1cc(N2CCOCC2)ccc1-c1cnc2nncn2c1 426700051 NUZMESOHYAJLBP-UHFFFAOYSA-N 281.319 1.628 0 50 CDAA CCCC[C@H](CC)CNC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239439304 ZSKVQAPLQMBJCD-RYMFRWLXSA-N 295.379 1.973 0 50 CDAA C[C@](N)(Cc1ccccc1)c1nc(-c2cccnn2)no1 95507440 QEWFFHAHGDZSOK-HNNXBMFYSA-N 281.319 1.943 0 50 CDAA COC[C@H](NC(=O)C(C)(C)N1CCCC1)c1ccnn1C 426465369 ZKFZEUHYZMHRBO-LBPRGKRZSA-N 294.399 1.098 0 50 CDAA CCc1cnc(N)nc1N1CCN[C@H](c2ccccc2)C1 95361519 CXEPNUJECLFIOD-AWEZNQCLSA-N 283.379 1.772 0 50 CDAA CCn1nc(C(C)C)cc1C(=O)N(C)[C@H](C)CC(=O)NC 91931437 XLFUMISVLZSYHN-LLVKDONJSA-N 294.399 1.623 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C(=O)O)N(C)Cc1ccn[nH]1 95355723 BUEYKRVXPVJGND-GFCCVEGCSA-N 277.328 1.018 0 50 CDAA CC1(C)CN(C(=O)CNC(N)=O)C[C@H]1c1ccccc1 334394178 BIKYLGRBIPREOO-LBPRGKRZSA-N 275.352 1.307 0 50 CDAA Cc1cccc(N2CCN(C(=O)c3ncoc3C)CC2)n1 97679886 PFIKPSWKOMIOKN-UHFFFAOYSA-N 286.335 1.649 0 50 CDAA CN(CCc1cccc2ccccc12)C(=O)[C@@H]1C[C@@H](O)CN1 239722536 CDDYEFDSBDEFEM-WBVHZDCISA-N 298.386 1.564 0 50 CDAA c1cc(-n2cnnc2)ccc1-c1nc([C@@H]2CCOC2)no1 96150602 BEURJINHFIAYIO-LLVKDONJSA-N 283.291 1.821 0 50 CDAA O[C@@H]1CN(Cc2ccccc2)CCN(c2ncccn2)C1 96159748 JQDGJOYSSUPDEI-OAHLLOKOSA-N 284.363 1.160 0 50 CDAA COc1ccc([C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2N)cc1 91964990 WQSRWQAZEIORQQ-KGLIPLIRSA-N 285.347 1.590 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]2C(C(=O)O)=NO[C@H]2C1 95743158 ZQXOLUFBNCMDKL-SFYZADRCSA-N 270.285 1.083 0 50 CDAA COCCN1C[C@@H](CNc2nc(C)nc(C)c2C)CC1=O 91679047 NPYKPXSRTVJCNU-CYBMUJFWSA-N 292.383 1.309 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CN(C)CCO1 245464602 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CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1cc[nH]n1 534630518 DYGMOZXYRYQOQR-AWEZNQCLSA-N 272.352 1.199 0 50 CDAA Cc1cnn([C@@H](C)CNS(=O)(=O)CC2CCCC2)c1 534658179 YFWLIRWIKUOISL-LBPRGKRZSA-N 285.413 1.862 0 50 CDAA Cc1nnc([C@@H](C)NC(=O)c2ccc3c(c2)ncn3C)[nH]1 286545758 ZRGBTIXVXIBFBT-MRVPVSSYSA-N 284.323 1.491 0 50 CDAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccsc1 299764930 XBAAIVZBVSDMAI-STQMWFEESA-N 280.393 1.731 0 50 CDAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc(C)no3)[C@H]2C1 299788751 WOVLUSXEUWRHJY-OSAQELSMSA-N 294.351 1.782 0 50 CDAA O=C(N[C@H]1CNCC[C@H]1c1cccc(F)c1)C(F)(F)F 390822222 VMPCYCLMXMGMPI-QWRGUYRKSA-N 290.260 1.950 0 50 CDAA COc1ccc(-n2nc(C)nc2CCCNC(C)=O)cc1 824698925 KMYLMQGURRNQCR-UHFFFAOYSA-N 288.351 1.653 0 50 CDAA COCC(=O)Nc1ccccc1OC[C@H]1CCCO1 824313107 MLNHNJMZNPVCLH-LLVKDONJSA-N 265.309 1.829 0 50 CDAA COc1cccc2c(=O)n([C@H]3CCCC[C@@H]3O)cnc12 584895535 WLBMVFGUQXFENO-RYUDHWBXSA-N 274.320 1.881 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)c1c(Cl)cnn1C 825253391 MHOQBUJLUBVYOO-UHFFFAOYSA-N 293.758 1.041 0 50 CDAA O=C1C[C@@H](C(=O)N2CCc3nocc3C2)C2(CCCC2)O1 584892867 PGPUVNFMLFBXFH-NSHDSACASA-N 290.319 1.435 0 50 CDAA CN1Cc2ccccc2C[C@H]1CNC(=O)Cn1cccc1 584899466 FNSVQBJSQMOZBJ-INIZCTEOSA-N 283.375 1.661 0 50 CDAA CN(C)[C@H]1CCN(C(=O)c2sccc2Cl)C[C@@H]1O 584901682 XMZAYLYGJPZMID-UWVGGRQHSA-N 288.800 1.539 0 50 CDAA Cc1noc(C)c1CC(=O)NCCn1cnc(C)c1C 670457012 HFZPCKCGLWQEIB-UHFFFAOYSA-N 276.340 1.464 0 50 CDAA CO[C@H](C(=O)Nc1cccnc1N)[C@@H]1CCCOC1 1875301216 FTTRHPMYFIMZGK-KOLCDFICSA-N 265.313 1.044 0 50 CDAA N[C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2)C1 132345530 GEQZJKQKUSRJPG-GFCCVEGCSA-N 266.316 1.544 0 50 CDAA COc1ccc(CCCC(=O)N(C)[C@H](C)CC(N)=O)cc1 952968071 DSZHJZDLGZLOKI-GFCCVEGCSA-N 292.379 1.740 0 50 CDAA Cc1[nH]nc(CNCCN2CCC[C@H](CO)C2)c1Cl 952869623 KLBCUSNJFVFOQU-NSHDSACASA-N 286.807 1.165 0 50 CDAA O=C(NC[C@H](CC1CC1)C(=O)O)c1ccc2c(c1)COC2 405340383 CIIOOKCUGMMREB-ZDUSSCGKSA-N 289.331 1.948 0 50 CDAA CCc1cccnc1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 270917878 DVEYXFVIXAHWNH-GFCCVEGCSA-N 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284.381 1.008 0 50 CDAA COc1ccccc1C/C(C)=C/C(=O)N1CC[C@@H](CN)C1 178542969 BRVIVNNVNXMSHI-UELRPHRMSA-N 288.391 1.991 0 50 CDAA CC(C)c1ncc(C(=O)N(C)Cc2nnc[nH]2)s1 178536111 CJOLFAAKTQJDEG-UHFFFAOYSA-N 265.342 1.657 0 50 CDAA CCn1ccnc1C1CCN(c2ncccc2C(N)=O)CC1 91915158 SWDFCBQHZROQST-UHFFFAOYSA-N 299.378 1.781 0 50 CDAA c1c[nH]c(-c2cn(Cc3n[nH]c4c3CCCCC4)nn2)n1 91756991 DEEBQADCDKFNJH-UHFFFAOYSA-N 283.339 1.709 0 50 CDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)C1CCC1 238083052 PDWSMVQQJDSZOL-NSHDSACASA-N 255.314 1.269 0 50 CDAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(-n2cncn2)cc1 237448219 LUUBELYAWLAXTP-WFASDCNBSA-N 299.378 1.609 0 50 CDAA COCCCN1CC[C@H](CNc2nnc(C)o2)C1 95383003 UUBZJEDYDRUHTO-LLVKDONJSA-N 254.334 1.148 0 50 CDAA COc1ccc(F)c(F)c1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 244873591 WSOPSPXKHUHZBJ-MTBHXBHISA-N 297.257 1.376 0 50 CDAA C[C@@H]1SCCN(C(=O)CCc2cncnc2)[C@@H]1C 292819258 OIYSFOKCDCGWAG-MNOVXSKESA-N 265.382 1.762 0 50 CDAA Cc1cc2n(n1)CCN(CC(=O)N1CCc3ccccc31)C2 244724112 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CNC[C@H]1CCCN(C(=O)Cc2ccc(C)nc2)C1 269100388 AYMAHNRAPDUINY-CQSZACIVSA-N 261.369 1.391 0 50 CDAA O=C(Cc1c(F)cccc1F)Nc1n[nH]c2c1COCC2 899253481 INZBCVOHRUCBDV-UHFFFAOYSA-N 293.273 1.942 0 50 CDAA C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2O)C[C@@H]1O 96151511 JXWIHDMFRGRWEL-WCQYABFASA-N 285.727 1.003 0 50 CDAA O=C(N[C@H]1CCCn2nccc21)[C@H]1CC[C@@H](C(=O)O)C1 631000874 YTROVPNBDJBYQG-AXFHLTTASA-N 277.324 1.335 0 50 CDAA COC1CCC(N(C)S(=O)(=O)C[C@H]2CCCO2)CC1 408175559 UWIGVQPVXXPAAB-WXRRBKDZSA-N 291.413 1.385 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CO1 408412083 NHIUWMUJDGDYAM-NQBHXWOUSA-N 288.347 1.417 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccoc2)cn1 275646654 YDSHMJZWUSTDMG-QWHCGFSZSA-N 275.308 1.407 0 50 CDAA CCOc1cc(N[C@H]2CCO[C@@H]2c2nccn2C)ncn1 275702736 XSXCZDZVJCGAOQ-GWCFXTLKSA-N 289.339 1.551 0 50 CDAA O=C(N[C@@H]1COc2cc(F)cc(F)c21)N1CCC[C@H](O)C1 170075992 JRXKALFKLHSMBA-GXSJLCMTSA-N 298.289 1.565 0 50 CDAA CCc1nc(CC)n(CCO[C@H]2CCCCO2)n1 170620301 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CDAA NC(=O)c1ccc(-c2ccc([C@H]3CNC(=O)C3)cc2)nc1 1875247680 NZPULIDGIHREMK-CYBMUJFWSA-N 281.315 1.451 0 50 CDAA CSCC[C@@H](NC[C@H](O)COc1ccccc1)C(=O)O 606654933 UFJICEQGDWXOCZ-WCQYABFASA-N 299.392 1.222 0 50 CDAA C[C@H]1C[C@H](C)CC[C@H]1Nc1ccn(CCC(N)=O)n1 222287763 VIQDJTOUPOEQGE-GRYCIOLGSA-N 264.373 1.995 0 50 CDAA Cc1ccc(Cc2nnn(C[C@@H](O)C(C)(C)C)n2)cc1 241213340 KOFKLKPTZQMRKH-CYBMUJFWSA-N 274.368 1.979 0 50 CDAA CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccc[nH]1 247964976 WTEWUPKEZLGRTR-NEPJUHHUSA-N 261.325 1.098 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@H]1C[C@H]1C 252506150 QRXJNZGSPADKKY-QAWJZHMJSA-N 251.326 1.346 0 50 CDAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1COCCN1 252533135 FXXUPBAXIYYWAM-SNPRPXQTSA-N 274.364 1.379 0 50 CDAA C[C@@H](N)C(=O)NCC1(c2ccccc2)CCOCC1 154362224 XTOAMABFKBLNKK-GFCCVEGCSA-N 262.353 1.198 0 50 CDAA Cc1cnccc1N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 1704306508 NWNWHEUJNXZJJN-LSDHHAIUSA-N 292.379 1.261 0 50 CDAA CO[C@@H](C)[C@H](C)NC(=O)c1ccc2nc(CO)[nH]c2c1 907645914 VNCPOMLPVIPZHM-IUCAKERBSA-N 277.324 1.208 0 50 CDAA O=C1CCCc2cc(C(=O)N[C@@H]3CC[C@H]3O)ccc2N1 819684126 RHLFOAKKSZSQPE-CHWSQXEVSA-N 274.320 1.215 0 50 CDAA C[C@H](c1ccco1)N(C)C(=O)Cc1nnc(N)s1 1123495040 QUYGIKZDYJZZGX-SSDOTTSWSA-N 266.326 1.475 0 50 CDAA O[C@H](CN1CCC[C@H]1c1nc[nH]n1)c1ccccc1F 931137286 QMSAQPSKDPNPPE-QWHCGFSZSA-N 276.315 1.814 0 50 CDAA Cc1cc(C)nc(NC2CN(c3ccccn3)C2)n1 1161318907 AJKVIPGWWNFKSW-UHFFFAOYSA-N 255.325 1.789 0 50 CDAA CC(C)[C@@H](CO)NC(=O)[C@@H]1CCCN2CCCC[C@H]12 952878993 FLROTBLOAMAVDB-MGPQQGTHSA-N 268.401 1.384 0 50 CDAA CC(C)N1CCCC[C@H]1CN1Cc2nc(O)nc(O)c2C1 1875299513 NHFRMOBECSANAV-NSHDSACASA-N 292.383 1.466 0 50 CDAA O=S(=O)(c1ccccc1CF)N1CCN2CC[C@H]1C2 1875280172 YIMXDMYPDFADOI-LBPRGKRZSA-N 284.356 1.235 0 50 CDAA Oc1ccc(CNC[C@@H](O)Cc2cccc(F)c2)nn1 1875290869 GELGMUWUUBNQRY-ZDUSSCGKSA-N 277.299 1.015 0 50 CDAA Cc1cncc(S(=O)(=O)Nc2onc(C)c2C)c1 1875279800 DZBWYPAQMITDCA-UHFFFAOYSA-N 267.310 1.796 0 50 CDAA CN(CC12CCC(CC1)C2)C(=O)C[C@H]1C=CS(=O)(=O)C1 1875298822 OTPRMRFCGHGZJV-JVWICGRDSA-N 297.420 1.974 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@H]2CC2(C)C)CC1 1875369258 DEKDJNBTZPLAKU-NSHDSACASA-N 250.342 1.326 0 50 CDAA C=CC(=O)NCc1cccc(CO[C@@H]2CCOC2)n1 1875389860 AJGWRVMUMKDVII-CYBMUJFWSA-N 262.309 1.189 0 50 CDAA Clc1cnc(N2CCN(c3ccnnc3)CC2)nc1 895962020 CKHYCLZQEWEVKI-UHFFFAOYSA-N 276.731 1.247 0 50 CDAA Cc1cc(NCCNCCC(=O)O)nc(C(C)C)n1 1776004042 LTSVTZGQJZHTOH-UHFFFAOYSA-N 266.345 1.385 0 50 CDAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@@H](N)C1 237470126 NFDRSTFMVGRXFE-ZYHUDNBSSA-N 282.771 1.975 0 50 CDAA C[C@H](O)C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 270769759 HNSYUBGJGSYOJN-KGLIPLIRSA-N 276.380 1.490 0 50 CDAA O=C(CCn1cnc2ccccc21)NC[C@@H]1CCCN1 178735459 BMZGPMPYOJJVAJ-LBPRGKRZSA-N 272.352 1.295 0 50 CDAA C[C@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1C 293267651 BUOJQFRTCIXFBF-WDEREUQCSA-N 284.381 1.053 0 50 CDAA CC(C)(C)N1CC[C@H](CNC(=O)CCc2cn[nH]c2)C1 299798391 RODJATATOMVEQO-CYBMUJFWSA-N 278.400 1.579 0 50 CDAA CCCn1nccc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 663054899 SDZKCYGKKUGEAL-AXFHLTTASA-N 277.324 1.371 0 50 CDAA Cc1cc(C)nc(CNC(=O)c2ccc(CN)cc2)n1 534655143 NHOYAOSTEAGEEJ-UHFFFAOYSA-N 270.336 1.482 0 50 CDAA C[C@@H]1CCS[C@@H]1C(=O)N(CC(=O)O)Cc1ccco1 2325784493 NAXRFKCIYMYZFF-SKDRFNHKSA-N 283.349 1.834 0 50 CDAA CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 228178 OIESRANVJLFLRM-LURJTMIESA-N 252.339 1.930 0 50 CDAA COc1ccccc1NC(=O)CSc1nnc(N)s1 103595 ONIBEELEXDIZFM-UHFFFAOYSA-N 296.377 1.860 0 50 CDAA O=C1CC(=O)N(c2ccccc2Cl)C(=S)N1 211906 XSRGSQKJNGGBDK-UHFFFAOYSA-N 254.698 1.478 0 50 CDAA COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)c(OC)c1 295192 GXPHSEXJDZAWQX-KOLCDFICSA-N 269.322 1.492 0 50 CDAA O=C(O)[C@H]1CCCC[C@H]1C(=O)NCc1ccccn1 375410 FDGKNNDZRJOOHJ-NEPJUHHUSA-N 262.309 1.589 0 50 CDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nccs1 433160 WXZWNOAGMLCICB-YUMQZZPRSA-N 254.311 1.973 0 50 CDAA Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 556245 ZHKXBELKPQXYEH-UHFFFAOYSA-N 262.334 1.747 0 50 CDAA COC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 1801081 TZOPIYANPLGYBB-UHFFFAOYSA-N 274.272 1.834 0 50 CDAA biogenic O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCC[C@@H](CO)C1 2356145701 RZSOFSRJGOMEJR-RKDXNWHRSA-N 286.763 1.058 0 50 CDAA CCCCNC[C@@H](O)COc1cccc(OC)c1 2465959 BRZBEIPHKZABTC-GFCCVEGCSA-N 253.342 1.825 0 50 CDAA CC1(C)CC(=O)c2c(O)cc(OCC(=O)O)cc2O1 6645447 NCOVPSDBMQUDQQ-UHFFFAOYSA-N 266.249 1.599 0 50 CDAA biogenic O=C(Oc1ccc2c(c1)OCO2)N1CCOCC1 6701895 CZRWHUGCOLVMRZ-UHFFFAOYSA-N 251.238 1.246 0 50 CDAA O=C(NCCN1C(=O)c2ccccc2C1=O)c1ccncc1 7871695 BBKSQCLYAWDJKG-UHFFFAOYSA-N 295.298 1.108 0 50 CDAA c1ccc(CN2CCO[C@@H]3CN(Cc4ncc[nH]4)C[C@H]32)cc1 222101930 CKNJNHXMCNBGJO-HZPDHXFCSA-N 298.390 1.495 0 50 CDAA CSC[C@H](C)C(=O)Nc1ccc2ncnn2c1 411100402 ROVYKYXRNYFAOP-QMMMGPOBSA-N 250.327 1.667 0 50 CDAA COC(=O)[C@@H]1C[C@H](OC)CN1Cc1noc(C(C)(C)C)n1 225435814 DOYNALZVCKKQHH-UWVGGRQHSA-N 297.355 1.129 0 50 CDAA OC[C@H](O)CN(Cc1ccsc1)Cc1ccco1 55281721 OWRBBFYXHVDWQP-GFCCVEGCSA-N 267.350 1.697 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccno1 227221106 ZOTAAQGUQYWIEE-DLOVCJGASA-N 250.298 1.892 0 50 CDAA Cc1ncsc1C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 227743313 XZKPVARFXZDWHF-CIUDSAMLSA-N 266.322 1.529 0 50 CDAA CCCCNC(=O)[C@@H]1CC[C@H](C)N(CCCC(=O)O)C1 116374777 NYFNHCDMIIZAFO-QWHCGFSZSA-N 284.400 1.868 0 50 CDAA CC(C)N1CCNC(=O)[C@@H]1CC(=O)OCc1ccccc1 54961286 OYISIIHNRAIOBJ-AWEZNQCLSA-N 290.363 1.329 0 50 CDAA Cc1nccn1C[C@H](C)CNC(=O)N1C[C@H](C)OC[C@H]1C 245921243 GZXNPXWMSWDAIP-UPJWGTAASA-N 294.399 1.646 0 50 CDAA Cc1ccc2oc(C(=O)NCCN3CCOC3=O)cc2c1 65434774 MOGIXHCWMNJWHY-UHFFFAOYSA-N 288.303 1.923 0 50 CDAA CCCc1cc(N[C@H](C)C(=O)N(C)C)nc(C)n1 65397939 BFXLJVWOLPZMFT-SECBINFHSA-N 250.346 1.626 0 50 CDAA Cn1cc(C(=O)N2[C@H]3CC[C@@H]2CC(=O)NC3)c2ccccc21 65384176 MWQLAEIVBQWQDX-NEPJUHHUSA-N 297.358 1.671 0 50 CDAA COc1ccccc1O[C@H](C)C(=O)N1CCN(C)CC1 20311665 NGMYSDHBAZMJRA-GFCCVEGCSA-N 278.352 1.237 0 50 CDAA COc1cccc(-c2nc(CN(C)C)no2)c1OC 67727207 XXOBDMMXXZMKIW-UHFFFAOYSA-N 263.297 1.815 0 50 CDAA COc1ncccc1C(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 250282909 NXKDEUACJDAYRZ-XPXLGCRWSA-N 290.319 1.319 0 50 CDAA CCCCN(Cc1ccsc1)C(=O)Cc1n[nH]c(=O)[nH]1 67727345 VBKZFNNRZMIWNP-UHFFFAOYSA-N 294.380 1.531 0 50 CDAA Cc1ccc(C)c([C@H]2CN(C(=O)[C@H](C)N)[C@H](C)CO2)c1 119065554 FUKXZIYTYDHLJE-VNHYZAJKSA-N 276.380 1.939 0 50 CDAA CCN1CCN(C(=O)Nc2nc(C)n(C)n2)CC1(C)C 63856587 GFUCERPPERLEQZ-UHFFFAOYSA-N 280.376 1.072 0 50 CDAA CN1CCC[C@@H](CN(C)CC(C)(C)CN2CCOCC2)C1 32558362 IRLTZKCWYYDQOV-MRXNPFEDSA-N 297.487 1.618 0 50 CDAA COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCNCC1 39363581 YMRAMAYADDQJIS-JTQLQIEISA-N 272.345 1.052 0 50 CDAA CCC(=O)N1CCN(c2cc(N3CCCC3)ncn2)CC1 38530345 HHFNDLBEXKLKQD-UHFFFAOYSA-N 289.383 1.135 0 50 CDAA Cc1cc(C)n(C[C@@H]2CCCN2[C@@H]2C[C@@H](C)OC2=O)n1 229551646 QYOVJOHJUIVVJG-HZSPNIEDSA-N 277.368 1.668 0 50 CDAA CCCC[C@H](NC(N)=O)c1nc([C@@H]2CCOC2)no1 120484566 PWVMBQUDOFJKNS-BDAKNGLRSA-N 268.317 1.473 0 50 CDAA OCC[C@@H]1CCC[C@H]1NC[C@@H](O)COCc1cccs1 252519094 AXKQRLCTBDAOBJ-GZBFAFLISA-N 299.436 1.766 0 50 CDAA Cc1cc(=O)cc(C(=O)NCCSc2nccn2C)o1 216449496 WTGOSQAWDXDGLG-UHFFFAOYSA-N 293.348 1.204 0 50 CDAA C[C@H]1CN(C(=O)Nc2ccccn2)C[C@]2(CCCOC2)O1 253429197 GRPUTKSJILRVFV-WFASDCNBSA-N 291.351 1.883 0 50 CDAA CCCN1CCC[C@H]1C(=O)N1CCC[C@H]1Cn1cccn1 257365831 SVNKQGKCNOSRKQ-GJZGRUSLSA-N 290.411 1.749 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)COCc2ccccc2Cl)C1 237949768 LWXHBKDHDFUKED-SNVBAGLBSA-N 297.738 1.790 0 50 CDAA C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 34800307 BDVFVCGFMNCYPV-NSHDSACASA-N 291.376 1.217 0 50 CDAA in-vivo Cc1ncsc1CCC(=O)N1CCSCC1 72448287 CJNVSRGDIASFJZ-UHFFFAOYSA-N 256.396 1.960 0 50 CDAA C[C@](O)(c1ccc(N)cc1)[C@](C)(O)c1ccc(N)cc1 71772607 JDSJOLSLCNXOKL-IYBDPMFKSA-N 272.348 1.966 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCc2c(ncn2C)C1 374627142 BOLJSCLNKPIVAQ-VIFPVBQESA-N 287.367 1.448 0 50 CDAA CNS(=O)(=O)N[C@@H]1CCc2sc(Cl)cc21 335165322 GGRAPCSULAFADS-ZCFIWIBFSA-N 266.775 1.443 0 50 CDAA Cn1nccc1S(=O)(=O)N1CCC[C@H]1c1cccnc1 369937580 BBFYHZYNSSDTRS-LBPRGKRZSA-N 292.364 1.341 0 50 CDAA C=CC(=O)NCCC(=O)NC[C@H]1CSc2ccccc21 490756530 GOVIMXYGCJEWKE-NSHDSACASA-N 290.388 1.684 0 50 CDAA COC[C@H](O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 126973167 NPUVZNQJNDVSIU-DZGCQCFKSA-N 267.344 1.697 0 50 CDAA Cc1nc([C@H]2CCCN2Cc2cccnc2N)n[nH]1 215717179 XXNZHFMYQSYDTB-LLVKDONJSA-N 258.329 1.427 0 50 CDAA CN1C[C@@H](CNC(=O)C(C)(C)O)Cc2ccccc21 372855882 CHFDSAOCWMHALM-LLVKDONJSA-N 262.353 1.182 0 50 CDAA Cn1cc(Cl)c(CNC(=O)N[C@H]2CCCOC2)n1 333569052 XRSOBXMBRPPNPB-QMMMGPOBSA-N 272.736 1.052 0 50 CDAA C[C@H](Cn1cncn1)C(=O)NCCCc1ccncc1 223025488 VEFQYGHFQVCYSV-GFCCVEGCSA-N 273.340 1.058 0 50 CDAA Cc1cccc(CC(=O)N2C[C@H](O)C[C@H]2CO)c1Cl 336451482 QCBIGCXLVZGTJQ-NWDGAFQWSA-N 283.755 1.145 0 50 CDAA CNC(=O)[C@@H]1CCCN1C(=O)CC[C@@H]1CC[C@@H](C)O1 173678226 UFACRSWGCNVDLC-WOPDTQHZSA-N 268.357 1.071 0 50 CDAA Cc1nccc(NC(=O)NCCO)c1Br 242164675 WWXIIWRNLAFALD-UHFFFAOYSA-N 274.118 1.266 0 50 CDAA Cc1cc(CS(=O)(=O)NC2(C(C)C)CC2)on1 328805159 CYOZWINMBNMQCS-UHFFFAOYSA-N 258.343 1.591 0 50 CDAA COC[C@@H](N)C(=O)N1CCC(Oc2cccc(C)c2)CC1 82133879 QIXSCXSGVXIPDG-OAHLLOKOSA-N 292.379 1.339 0 50 CDAA CN1CCN(c2ccnc(Br)c2)CC1 44118689 CTJBLTGBCCXHDX-UHFFFAOYSA-N 256.147 1.596 0 50 CDAA CN(C)c1ncnc2c1ncn2C[C@H]1CCCOC1 532880356 FNRUQVMAZBFFSP-SNVBAGLBSA-N 261.329 1.319 0 50 CDAA COCC[C@]1(O)CCN(Cc2nccn2COC)C[C@H]1C 91931444 ZPGCZIFLWSVQIF-UKRRQHHQSA-N 297.399 1.096 0 50 CDAA CCCNC(=O)C[C@H]1C(=O)N=C2Nc3ccccc3N21 95117651 ORPAAUUSEGXBST-NSHDSACASA-N 272.308 1.100 0 50 CDAA O=C(NCCn1cccn1)N1CC[C@H](N2CCCCC2)C1 426359358 BGLYAUKSAPGFEN-AWEZNQCLSA-N 291.399 1.153 0 50 CDAA CCCCn1nc(CC(N)=O)nc1-c1cc(C)on1 95526759 HGJPJJGHLOBIDI-UHFFFAOYSA-N 263.301 1.069 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nccs1 239412504 SUGSIWBFIBIQDM-RBXMUDONSA-N 264.306 1.605 0 50 CDAA O=C(C[C@@H]1CCc2ccccc21)NCCN1CCNC1=O 92097888 NSZNDKNUJKFXFQ-ZDUSSCGKSA-N 287.363 1.248 0 50 CDAA Cc1c(F)cccc1C(=O)N1CCCn2nnnc21 333809116 ZUSALNLFMVNGMC-UHFFFAOYSA-N 261.260 1.171 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)Nc2cn(C)nc2C)[nH]n1 97527321 AHMBXKCJSHGSEK-MRVPVSSYSA-N 276.344 1.513 0 50 CDAA Cc1cc(N2CCC[C@@H](CS(C)(=O)=O)C2)ccn1 292627098 DVCQGWIZIDCIQV-GFCCVEGCSA-N 268.382 1.651 0 50 CDAA CC(C)(CN1CC(C)(C)[C@@](C)(O)C1)N1CCOCC1 91486890 KDFRTGCALHAKRO-HNNXBMFYSA-N 270.417 1.190 0 50 CDAA CCN1CCC[C@@H]1CNc1cc(COC)ncn1 92107247 LAUUUSWGLOZODC-GFCCVEGCSA-N 250.346 1.519 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COCC1CC1 299748783 IDVTVXAITUULDO-XQQFMLRXSA-N 281.352 1.657 0 50 CDAA Cc1cnc([C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)C2CC2)s1 299748324 GYAKNSABBRICJF-KXUCPTDWSA-N 280.349 1.740 0 50 CDAA C[C@@H](C(=O)NCCn1cncn1)N(C)C1CCCCC1 534586234 QNJMALZFNCPFMX-LBPRGKRZSA-N 279.388 1.047 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(CCCOCc3ccccc3)C[C@H]21 534575212 HRHJNYKHQHJNRX-FICVDOATSA-N 275.348 1.856 0 50 CDAA CCCN(CC)c1ccc(C(=O)N(C)[C@@H](C)C(=O)O)cn1 262875195 KBUZAZYZBHNCLK-NSHDSACASA-N 293.367 1.863 0 50 CDAA Cc1nnc(CN2CC[C@@H]3CC[C@H](C2)N3C)s1 299767679 MWULHAZCQZUORJ-WDEREUQCSA-N 252.387 1.515 0 50 CDAA O=C(NC[C@]1(O)CCNC1)Nc1ccc2ccccc2c1 299779874 OGQRXNLELKUJQK-INIZCTEOSA-N 285.347 1.686 0 50 CDAA Cc1ccc2nc(CNC(=O)C[C@@H]3CCNC3)cn2c1 299787901 SXJUQPCSQFVOFG-LBPRGKRZSA-N 272.352 1.259 0 50 CDAA CCOCCNC(=O)C1(S(=O)(=O)c2ccccc2)CC1 299781710 VQTQOMQEVYDKPY-UHFFFAOYSA-N 297.376 1.146 0 50 CDAA COc1nccnc1NC[C@@H]1Cc2ccccc2CN1C 824853279 PFDMXNVNIZWLRJ-AWEZNQCLSA-N 284.363 1.954 0 50 CDAA C[C@@H](C(=O)N(C)Cc1ccc2ncccc2c1)n1cnnn1 584890124 PIFBYJGUIVUDJF-NSHDSACASA-N 296.334 1.441 0 50 CDAA O=C(c1cnc(O)[nH]1)N1CCCN(C2CCCCC2)CC1 828137136 XONPWZHMSMTHMN-UHFFFAOYSA-N 292.383 1.596 0 50 CDAA Cc1nn(C)cc1CN(C)c1nnnn1-c1ccccc1 825647127 SGSHIRAXHVNNQZ-UHFFFAOYSA-N 283.339 1.341 0 50 CDAA CN1CCC(O)(CN[C@H]2CCN(c3ccccc3)C2)CC1 584900414 YHTZMZOMHBMLPC-HNNXBMFYSA-N 289.423 1.312 0 50 CDAA COC(=O)c1ccc(Br)c(O)c1C=O 696297455 WYVRIJXMHNZHKT-UHFFFAOYSA-N 259.055 1.754 0 50 CDAA CCCc1nc(C)c(C(=O)N[C@@H](C)c2nn(C)cc2O)o1 1434407689 PPALJWZJTUKNAZ-QMMMGPOBSA-N 292.339 1.866 0 50 CDAA Cc1cc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)ccn1 1553487507 VGUKUGROXFVHRE-ZDUSSCGKSA-N 274.368 1.413 0 50 CDAA CCOc1cc(N2CCC(n3cnnc3O)CC2)ncn1 408522405 INFCKZDXUDYLEI-UHFFFAOYSA-N 290.327 1.014 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2cnn(C(F)F)c2)C1 630098655 TZJKHRVXHXQKIV-SSDOTTSWSA-N 273.239 1.215 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 269214196 XGZOMQBHLWHNTM-SNVBAGLBSA-N 277.295 1.790 0 50 CDAA CCC(=O)[C@H]1CCCCN1C(=O)CCn1cncn1 270957938 QQESKJMJRRUECM-LLVKDONJSA-N 264.329 1.028 0 50 CDAA Cc1cc(CN2CCC[C@@]23CCNC3=O)ccc1F 585116549 AMRIZZZEGALSCH-HNNXBMFYSA-N 262.328 1.989 0 50 CDAA Cc1nc(Cl)cc(=NCC(C)(C)n2cccn2)[nH]1 585117906 ATVAZLCLAJMSBW-UHFFFAOYSA-N 265.748 1.904 0 50 CDAA O=C(Nc1cnc2c(c1)COCC2)[C@@H]1CCc2c[nH]nc2C1 679119891 UQRUJURJLYHWPT-SNVBAGLBSA-N 298.346 1.621 0 50 CDAA CN1CC[C@@H](CC(=O)Nc2ccc3c(=O)[nH]ccc3c2)C1 636174423 ACLFMUWGYHYJBH-NSHDSACASA-N 285.347 1.808 0 50 CDAA Cc1ccccc1[C@H](C(=O)O)N(C)CCn1cccn1 573617693 XLDQQCYSRQKTFF-CQSZACIVSA-N 273.336 1.949 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2ccoc2)C1(C)C 188803581 TVZLGMXTHRONCU-RISCZKNCSA-N 267.325 1.576 0 50 CDAA CCn1cc(/C=C/c2nc(O)c3c(n2)CCCC3)nn1 1776000065 QRLOZTRGPDJLBI-BQYQJAHWSA-N 271.324 1.843 0 50 CDAA Cc1ccccc1CN(C)C(=O)Cn1cc(F)ccc1=O 190748394 BKQZKBKDLHTLNC-UHFFFAOYSA-N 288.322 1.954 0 50 CDAA Cc1ccc(CS(=O)(=O)C[C@H](C)CO)cc1C 190836730 DCPZORUWWCZRQH-SNVBAGLBSA-N 256.367 1.847 0 50 CDAA Cc1csc2c(N[C@H]3CCS(=O)(=O)C3)ncnc12 191133919 CKPKATGZBIPNOW-QMMMGPOBSA-N 283.378 1.599 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N(CC(N)=O)Cc1ccccc1 191635367 YPAOEHLEZMBAMJ-OCCSQVGLSA-N 290.363 1.316 0 50 CDAA Cc1cnccc1CC(=O)N1CC2(CCOCC2)C1 647616628 YNCVKVMOBJKNNP-UHFFFAOYSA-N 260.337 1.572 0 50 CDAA CN1CC[C@@H](NC(=O)C(F)F)[C@@H]1c1ccccc1 194814127 YTLVKVDVNPNSIH-MNOVXSKESA-N 254.280 1.813 0 50 CDAA Cc1ncncc1C(=O)N[C@H](CO)Cc1ccccc1 97547665 QGTJPAPYXFXSRV-ZDUSSCGKSA-N 271.320 1.118 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)COc1ccc(CO)cc1 1614608471 NGLJRFNIWSVRCR-TZMCWYRMSA-N 279.336 1.099 0 50 CDAA Cc1nc(C)c(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)o1 1615001615 XSPDFIQFVKAFBF-CHWSQXEVSA-N 271.320 1.646 0 50 CDAA CC[C@@H](C)[C@H](C(=O)Nc1nccs1)n1cnnn1 1615154950 KRUFFGDFKSYWAG-HTQZYQBOSA-N 266.330 1.356 0 50 CDAA Cc1nccc([C@@H](C)NC(=O)N2CCn3cncc3C2)n1 1615541927 CDTWNKSEDQPVIV-SNVBAGLBSA-N 286.339 1.268 0 50 CDAA COc1ccnc(NCc2cccn3nccc23)n1 1772809311 SJYDIARVNIVNSY-UHFFFAOYSA-N 255.281 1.745 0 50 CDAA Cc1ccn2c(NC(=O)[C@@H]3CC=CCC3)nnc2n1 1506395997 LEZHMQSTEIQSGV-SNVBAGLBSA-N 257.297 1.728 0 50 CDAA COc1ccc(S(=O)(=O)NC(C)C)c(C)c1C 6728727 YNBBUQNCZFSXIY-UHFFFAOYSA-N 257.355 1.999 0 50 CDAA COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCNC1 237087048 YJWGQSJPYGZLJP-SNVBAGLBSA-N 282.771 1.917 0 50 CDAA Cn1[nH]c(CN2CC[C@H](C(F)(F)F)C2(C)C)nc1=O 334683995 LNJNLPSHXUKEJC-ZETCQYMHSA-N 278.278 1.271 0 50 CDAA C[C@H]1CSCCN1C(=O)c1cc2n(n1)CCCO2 336484687 WCPUIYRGKSMJLJ-VIFPVBQESA-N 267.354 1.243 0 50 CDAA CC(C)=CCC[C@H](C)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772812646 NHXITPXNDLRUFI-BFHYXJOUSA-N 253.386 1.654 0 50 CDAA COC(=O)c1nc(Br)n(Cc2ccccc2)n1 1772491087 YPTVHRTZSHUZTQ-UHFFFAOYSA-N 296.124 1.876 0 50 CDAA COc1ccc(C[C@H](C(=O)O)[C@H](C)C(=O)O)cc1 5368409 NPRHTWLQMBOOEJ-KWQFWETISA-N 252.266 1.659 0 50 CDAA biogenic Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)CN(C)C 12442174 WTWMFLDNFOEZQH-NSHDSACASA-N 299.378 1.586 0 50 CDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1cccs1 19799626 QKTDFEIQKNNEDH-UHFFFAOYSA-N 279.317 1.549 0 50 CDAA CC(C)CCc1c(O)nc(SCCN(C)C)[nH]c1=O 19879636 KWYFMFUXOFORHA-UHFFFAOYSA-N 285.413 1.718 0 50 CDAA O=C(c1nc(O)nc2ccccc12)N1C[C@H]2C[C@H](O)C[C@H]2C1 1857682748 ZVGFSPWHASBLSF-URLYPYJESA-N 299.330 1.178 0 50 CDAA CCCN=c1ncc(-c2nccn2-c2cn(C)nc2C)c[nH]1 1857702489 CUNQTHSDUXGQKI-UHFFFAOYSA-N 297.366 1.615 0 50 CDAA COCc1ccc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)cc1 225447366 BEOVZBJIDCMTIQ-ODXCJYRJSA-N 295.404 1.816 0 50 CDAA NC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2576118 IGBNRWWMKJGMLH-UHFFFAOYSA-N 278.308 1.201 0 50 CDAA in-vitro CC[C@@H](C)c1cc(C(=O)NCCCC(=O)O)on1 225456633 VIKYXCBHCUWVFA-MRVPVSSYSA-N 254.286 1.783 0 50 CDAA CC[C@@H]1CC[C@H](C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)O1 328639258 WUVAQHWJPBUQGV-JHJVBQTASA-N 292.383 1.182 0 50 CDAA Cn1nccc1NC(=O)c1coc(C2CCOCC2)n1 328785247 IQKXXRSDWYXQTL-UHFFFAOYSA-N 276.296 1.554 0 50 CDAA COc1cc(C(=O)NC2(C(=O)O)CCC2)ccc1C 164847447 DUMRKRLAHHLDCO-UHFFFAOYSA-N 263.293 1.741 0 50 CDAA C[C@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1ccnn1C 902435367 SOONUXISDHVGFY-PSOPSSQASA-N 256.353 1.695 0 50 CDAA COc1ccc(Cl)cc1CC(=O)N1CCNC[C@H]1C 125088770 ZUCSPJIXYBCJNE-SNVBAGLBSA-N 282.771 1.711 0 50 CDAA O=C(O)C1CC2(C1)C[C@H](NC(=O)C1CCCC1)CCO2 910620539 OCRQYQFLRQMCSB-MQYJIDSJSA-N 281.352 1.705 0 50 CDAA CC1=CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 824852912 TUWDAGMPVRBWBD-UHFFFAOYSA-N 283.335 1.588 0 50 CDAA Cn1nc(C(=O)N[C@H]2CCCOCC2)cc1C(F)F 935256610 ABGBTYPNBJTFSU-QMMMGPOBSA-N 273.283 1.657 0 50 CDAA Cc1c(C(=O)O)nnn1Cc1ccc(C(F)(F)F)o1 1857533516 MMWJTAKYNVBKFC-UHFFFAOYSA-N 275.186 1.945 0 50 CDAA CC(=O)NC(C)(C)c1noc(-c2ccc3nc[nH]c3c2)n1 874434735 BQAUZKLZXKIPMC-UHFFFAOYSA-N 285.307 1.984 0 50 CDAA O=C(O)c1cccnc1N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 1875266548 ODWXQCYIJJVAIJ-IJLUTSLNSA-N 276.336 1.767 0 50 CDAA C/C=C/C[C@@H](CO)NC[C@H](O)CN(C)Cc1ccccc1 1875266543 KNVMYZGIGYQPMK-RYTMFUSVSA-N 292.423 1.396 0 50 CDAA COc1nc(C)cc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 886068603 STUSHTNKGOHTRL-WCQYABFASA-N 289.339 1.469 0 50 CDAA COC[C@@H](C)NC(=O)CN1CCn2cccc2[C@H]1C 247837053 JOEOIVFDROZGDQ-VXGBXAGGSA-N 265.357 1.016 0 50 CDAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cnoc1C1CC1 1775958940 HZJVFEWFRZEYMQ-RBSFLKMASA-N 292.379 1.914 0 50 CDAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCn1ccnn1 1775992400 RSGGDWNMPVFOFC-JTQLQIEISA-N 298.343 1.328 0 50 CDAA Cc1ccc(NC(=O)N2CCC(=O)N3CCOC[C@H]32)cc1 1776003069 UDSJSOOTXNBVLA-CYBMUJFWSA-N 289.335 1.418 0 50 CDAA CC(C)[C@H](N)C(=O)N1CCO[C@H](c2cccs2)C1 236730474 LICUJGQGZTWGPK-JQWIXIFHSA-N 268.382 1.631 0 50 CDAA C[C@H](OCc1ccccc1)C(=O)N1CC[C@@H](N)C[C@@H]1C 237608272 VMSUJJNGGKWMTC-KCQAQPDRSA-N 276.380 1.930 0 50 CDAA C[C@@H]1CN(C(=O)NCc2cccc(Cl)c2)CCN1 334900635 DUCGBOHMATUSPO-SNVBAGLBSA-N 267.760 1.843 0 50 CDAA C[C@](O)(CN1C[C@H]2[C@@H](N)CC[C@H]2C1)c1ccccc1 388826462 WSQJXXIDWYWYTM-UKMLZYKCSA-N 260.381 1.563 0 50 CDAA CCc1ccccc1S(=O)(=O)NC1CC(C(=O)O)C1 871637306 AQKKTJYIIKUHHT-UHFFFAOYSA-N 283.349 1.391 0 50 CDAA COCc1nc(-c2cc(C)c(O)cc2F)nn1C 2100483405 RDBAQBQYLANIIH-UHFFFAOYSA-N 251.261 1.782 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]2NCC(F)(F)[C@@H]2C1 616568944 JDVNFFNXDUWBPN-BDAKNGLRSA-N 262.300 1.851 0 50 CDAA CCc1noc([C@@H](C)N2CCN(C(=O)C3CC3)[C@@H](C)C2)n1 2325815799 MJLBLCBVVDRFBO-WDEREUQCSA-N 292.383 1.636 0 50 CDAA Cc1cn(C[C@@H](O)COc2ccc(F)cc2)nn1 899901791 WMOHCGUAELAIDL-LLVKDONJSA-N 251.261 1.166 0 50 CDAA COc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1OC 119087 GAKOEWXKEAHTES-UHFFFAOYSA-N 293.319 1.641 0 50 CDAA O=C(NCCCO)NC12CC3CC(CC(C3)C1)C2 2882943 QADGUCFKHPQVSD-UHFFFAOYSA-N 252.358 1.637 0 50 CDAA in-vivo CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 3888193 SEYHVXLJZBTBCF-UHFFFAOYSA-N 277.729 1.725 0 50 CDAA COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 4731688 YDZQUARJCRXYMV-NEPJUHHUSA-N 276.336 1.191 0 50 CDAA O=S(=O)(NCCCO)c1cc(Cl)ccc1Cl 4839249 RUSLNDIEFIDOKF-UHFFFAOYSA-N 284.164 1.654 0 50 CDAA O=C(Nc1cccnc1)c1c(O)[nH]c2ccccc2c1=O 8974800 UXUKVPGUKADHSZ-UHFFFAOYSA-N 281.271 1.881 0 50 CDAA CC(C)C(=O)NCCC(=O)Nc1ccc(F)cc1 57291729 XVVBRBXYJQZXQR-UHFFFAOYSA-N 252.289 1.927 0 50 CDAA CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C)CC1 20491536 URPBVDKZBDHZEI-ZDUSSCGKSA-N 276.380 1.790 0 50 CDAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 54244983 SJTYGEVWZJOTRJ-ZDUSSCGKSA-N 292.335 1.271 0 50 CDAA Cc1cc(=O)n2nc(NCc3ccccc3C)nc2[nH]1 100641565 ZEMDDCABWSWAIB-UHFFFAOYSA-N 269.308 1.647 0 50 CDAA CC(C)C[C@@H](N)C(=O)N(Cc1cnn(C)c1)CC(C)C 55153475 ADZITEXOLOHPNC-CQSZACIVSA-N 280.416 1.778 0 50 CDAA Cc1cccc([C@H](C(=O)NCCc2c[nH]cn2)N(C)C)c1 65396383 ODKHOBUVGDPJBQ-OAHLLOKOSA-N 286.379 1.680 0 50 CDAA Cc1ncsc1CCC(=O)N[C@H](C)Cc1cnccn1 65507548 OXJDTMYWRGMPTM-SNVBAGLBSA-N 290.392 1.922 0 50 CDAA Cn1nnnc1SC(C)(C)C(=O)Nc1nccs1 65361858 BNCGXYKEEQOUMG-UHFFFAOYSA-N 284.370 1.176 0 50 CDAA COCC(C)(C)CNC(=O)[C@@H]1CC12CCNCC2 310947308 MTXSFHDMOFNMTP-NSHDSACASA-N 254.374 1.165 0 50 CDAA CCO[C@H]1CN(CC)C[C@@H]1Nc1ncnc2oc(C)nc12 63848378 XFQBZWMYXKNARD-QWRGUYRKSA-N 291.355 1.447 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 238084200 LSHAXIBFMTVQGI-CHWSQXEVSA-N 277.320 1.666 0 50 CDAA COC[C@H](NC(=O)c1ccncc1)c1ccccn1 219079076 QGSVWMHNPRYQBZ-ZDUSSCGKSA-N 257.293 1.594 0 50 CDAA CC(C)c1csc(C(=O)N2CCN(C)[C@H](CO)C2)n1 215179078 TYTBKMSGOZGIAE-JTQLQIEISA-N 283.397 1.015 0 50 CDAA c1cncc(CN(Cc2ccon2)C[C@@H]2CCNC2)c1 328605827 PKHKWHSMIQHVFA-CQSZACIVSA-N 272.352 1.681 0 50 CDAA CCN1CCC(N[C@H]2CCO[C@@H]2c2nccn2C)CC1 328627243 FXQOJEXKFLEEGA-KBPBESRZSA-N 278.400 1.324 0 50 CDAA NC(=O)CN1CCC[C@@H](CCc2ccc(F)cc2)C1 72130878 NJJKMCDZIZHKCV-ZDUSSCGKSA-N 264.344 1.956 0 50 CDAA CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)O 35686336 MXAXGHDNORHDSJ-NSHDSACASA-N 290.319 1.780 0 50 CDAA COc1nccnc1NCCc1cn2ccccc2n1 32511590 MDLOWPDDMJWSFS-UHFFFAOYSA-N 269.308 1.788 0 50 CDAA C[C@H]1CN(C(=O)/C=C/c2ccc(C(N)=O)cc2)C[C@H](C)N1 153778216 GSPWYVLLIBZYJE-LHXDFBSTSA-N 287.363 1.008 0 50 CDAA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)C1(C(=O)O)CC1 154906750 FRXFQZWMJYRAHO-WDEREUQCSA-N 283.368 1.809 0 50 CDAA Cc1ccc2c(c1)CN(C(=O)[C@H](O)c1cccnc1)CCO2 367264751 OWPYWXAXMVOJCP-MRXNPFEDSA-N 298.342 1.845 0 50 CDAA Cc1cc(CN=c2nnc(C)c(C)[nH]2)nc(N2CCCC2)n1 488714896 NZEQILSFMNNEGL-UHFFFAOYSA-N 299.382 1.221 0 50 CDAA C[C@H]1CC(=O)NCCN1Cc1ccc(N2CCCC2)nc1 367667843 FKFYNWUUNPMOAP-ZDUSSCGKSA-N 288.395 1.392 0 50 CDAA COC(=O)C1(C(=O)N[C@H](C)c2ccc(O)c(F)c2)CC1 71750945 OBASEHXMVWSYKJ-MRVPVSSYSA-N 281.283 1.662 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1cnc(SC)nc1 219513433 UXXWDBZIXCCHJQ-LLVKDONJSA-N 291.380 1.604 0 50 CDAA CC(=O)N1CC(NC(=O)c2ccc(Cl)c(F)c2)C1 156062473 IRRASNXILUKWTP-UHFFFAOYSA-N 270.691 1.440 0 50 CDAA Cc1nc([C@H]2CCCCN2C(=O)c2ccc[nH]2)n[nH]1 334707313 HHMPFGVIXFNKNK-LLVKDONJSA-N 259.313 1.809 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](OCC2CC2)C1 368726949 HCTAKADCWFPXAR-AWEZNQCLSA-N 291.395 1.987 0 50 CDAA C[C@@H]1CC(=O)NCCN1C(=O)C=C(C1CC1)C1CC1 371001566 UMVQAAJZWZXQPL-SNVBAGLBSA-N 262.353 1.470 0 50 CDAA Cn1cc([C@H](O)C[C@H]2CCCN2c2ccccn2)cn1 371310596 MPMVNPAMSOCHDT-ZIAGYGMSSA-N 272.352 1.908 0 50 CDAA O=C(Nc1cccc(C(=O)N[C@H]2CCNC2)c1)NC1CC1 127861629 JVQISVRPYNBYGZ-ZDUSSCGKSA-N 288.351 1.062 0 50 CDAA CN(C)C[C@@H]1CN(c2ccnc(C3CC3)n2)CCO1 171938979 QMAPMYGJIHGJJU-GFCCVEGCSA-N 262.357 1.121 0 50 CDAA CCOC(=O)c1nccc(N2C[C@H](C)O[C@H](C3CC3)C2)n1 521394967 IXDYCECGUVVANL-JQWIXIFHSA-N 291.351 1.657 0 50 CDAA CN(C)c1cccc(C(=O)NC2(C(=O)O)CCOCC2)c1 131751344 RPXPEKDKQCTITG-UHFFFAOYSA-N 292.335 1.116 0 50 CDAA Cc1cnc(N(C)C[C@H]2CCCO2)nc1-c1cnn(C)c1 82039306 OJQZITIANHRCJK-CYBMUJFWSA-N 287.367 1.801 0 50 CDAA C[C@]1(C(=O)O)CCCCN1C(=O)c1cc2ncccn2n1 426392661 BWTQQUOANQGQFD-CQSZACIVSA-N 288.307 1.199 0 50 CDAA NC[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@H]1c1ccccc1 381295099 KZHBSTWDZQNFBX-FRRDWIJNSA-N 288.313 1.584 0 50 CDAA COc1cc(C)c(C(=O)N(C)[C@@H]2CCNC2)cc1OC 179104986 SAFZLCBRLFPQAU-LLVKDONJSA-N 278.352 1.446 0 50 CDAA CCN1C[C@H](C(=O)N2CCCC3(CCOCC3)C2)CC1=O 336525236 UVKRCLDYGTXAIW-CYBMUJFWSA-N 294.395 1.274 0 50 CDAA CC(C)[C@H](C(=O)N1CC[C@@H](C(=O)O)C1)N1CCCCC1 178273681 CIQQIEOONDAQCZ-CHWSQXEVSA-N 282.384 1.430 0 50 CDAA NCC1CCN(c2cnn(CC3CCC3)c(=O)c2)CC1 95376669 BKSRDFLCKJUJAJ-UHFFFAOYSA-N 276.384 1.219 0 50 CDAA CC[C@H](C)c1cc(C(=O)N2CC[C@@H](CN)C2)on1 178532413 GOXNRPXVIBQZBE-UWVGGRQHSA-N 251.330 1.609 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](C(=O)O)C3)c2c1 237863657 KGADMRYIGYNRGN-JTQLQIEISA-N 287.319 1.808 0 50 CDAA CC(C)Nc1ncc(C(=O)NCCc2ccco2)cn1 97323936 OVFOBJDYOXGGLF-UHFFFAOYSA-N 274.324 1.862 0 50 CDAA COCCn1cncc1Cn1c(=O)ccc2ccccc21 95360990 NKUAEOVEUDMKDB-UHFFFAOYSA-N 283.331 1.893 0 50 CDAA O=C1CC[C@@]2(CCOC2)CN1CCc1nccs1 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1.232 0 50 CDAA CCc1nc(CN2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)n[nH]1 299763165 HDLLLVBUMQRPII-TYNCELHUSA-N 294.399 1.526 0 50 CDAA CN1CCC[C@@]2(CCCN(C(=O)c3csnc3N)C2)C1 299796217 MZFFJAMCRVAKKS-CQSZACIVSA-N 294.424 1.673 0 50 CDAA CC[C@@H]1CN(CC(=O)O)Cc2cc(OC)ccc2O1 299782201 FQRZYRILCFDBJR-LLVKDONJSA-N 265.309 1.753 0 50 CDAA Cc1n[nH]nc1C(=O)N(C)C[C@@H]1CCN(CC(C)C)C1 299761311 VAGXSTLNXPCASA-LBPRGKRZSA-N 279.388 1.163 0 50 CDAA C[C@H]1Cc2cc(NC(=O)CCN3CCCC3=O)ccc2O1 828059999 RVBNYJLQLSQKTO-NSHDSACASA-N 288.347 1.961 0 50 CDAA O=C(c1sccc1Cl)N1CCN2C(=O)OC[C@H]2C1 495753187 LEBZNAXTEFSHET-SSDOTTSWSA-N 286.740 1.678 0 50 CDAA Cc1cc(C)nc(CN(C)c2ncccc2C(N)=O)c1 825148938 KAKYSWUKTXKRHV-UHFFFAOYSA-N 270.336 1.829 0 50 CDAA CC(C)Cc1nc(-c2cnn[nH]2)n(CC(F)(F)F)n1 821477615 RCQJSWAPQSMVNW-UHFFFAOYSA-N 274.250 1.824 0 50 CDAA Cc1cc(C)c2ncn([C@@H]3CCCNC3=O)c(=O)c2c1 584892587 ATMBOIIBSIVRHV-GFCCVEGCSA-N 271.320 1.464 0 50 CDAA O=C(NCCSc1ccc(Cl)cc1)N1CC(O)C1 584884405 WKGMCMBIPHVCPY-UHFFFAOYSA-N 286.784 1.818 0 50 CDAA Cc1cc(C)c(CN[C@@H](C)CNS(=O)(=O)C2CC2)cn1 584885396 CPFGJZUMYJBWBN-LBPRGKRZSA-N 297.424 1.258 0 50 CDAA O=C1CC[C@@H](NCCc2cnc[nH]2)CCN1CC1CC1 952981395 SXAPDRFNLGTIIQ-CYBMUJFWSA-N 276.384 1.333 0 50 CDAA NC(=O)[C@H]1CCCC[C@@H]1NC1Cc2ccccc2C1 133091513 MUVYSTQTCNVFPT-GJZGRUSLSA-N 258.365 1.788 0 50 CDAA C[C@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@]1(O)C1CCC1 1565529826 UIYRGRKNFMSLCO-LKFCYVNXSA-N 297.786 1.697 0 50 CDAA C[C@H]1CN(C(=O)Cc2cccnc2)C[C@]1(O)C1CCC1 1565510403 JVRFWZGRKAZWRJ-BLLLJJGKSA-N 274.364 1.634 0 50 CDAA CCC[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1C(=O)O 1565508969 GYEFZPKXJANDBN-JQWIXIFHSA-N 298.364 1.203 0 50 CDAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)CN(C)C(C)C 1565527166 JGWUQXXDAPVHGN-GJZGRUSLSA-N 298.427 1.583 0 50 CDAA CCOCCC(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565515368 TZMILKUGVINJFS-KBPBESRZSA-N 285.384 1.503 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NCC(=O)N2CCCO2)CC(C)(C)C1 627886212 WRIYSABLKGIGLR-VXGBXAGGSA-N 282.384 1.729 0 50 CDAA Cc1nn2c(nc1=O)-c1ccccc1N1C(=O)CC[C@]12C 408525794 KMASPMHWDPUMBG-OAHLLOKOSA-N 282.303 1.427 0 50 CDAA O=C(c1cnn2cccnc12)N1CCOCC12CCCC2 270610375 ICDBKFSCDILJNH-UHFFFAOYSA-N 286.335 1.515 0 50 CDAA CCc1ccc(NC(=O)[C@H](C)N2CCn3ncnc3C2)cc1 170083199 VIIOTVYKOBYYIY-LBPRGKRZSA-N 299.378 1.683 0 50 CDAA COCC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278345888 GBOFCXWYGMQLTP-MRVPVSSYSA-N 291.273 1.781 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C)n(C)c1=O 278446636 VKIYOOAWTMLHQJ-KGLIPLIRSA-N 292.379 1.515 0 50 CDAA C[C@@H](CCCO)NC[C@@H]1CC(=O)Nc2ccccc21 170593021 KRAWQBJRRHMAOF-RYUDHWBXSA-N 262.353 1.863 0 50 CDAA COc1ccc2c(c1)CCN2C(=O)Cc1cncnc1 278942742 USHWVGGXTIYPHU-UHFFFAOYSA-N 269.304 1.617 0 50 CDAA Cc1ccc(S(=O)(=O)[C@@H](C)c2nnnn2C)cc1C 188923511 IUCOWIYDLYZMLN-JTQLQIEISA-N 280.353 1.362 0 50 CDAA C[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)C1CCOCC1 189437050 RXXVTSVWTHMMFJ-SNVBAGLBSA-N 280.372 1.578 0 50 CDAA CN(C)c1ccc([C@H]2CCCN2Cc2cnnn2C)nn1 643707141 PAGAHIYAPQOLBL-CYBMUJFWSA-N 287.371 1.008 0 50 CDAA CCS(=O)(=O)CCn1nnc(-c2ccccc2C)n1 193400301 OZJBKLOHKDDCJP-UHFFFAOYSA-N 280.353 1.083 0 50 CDAA C[C@@H](C(=O)NC[C@H]1CCn2ccnc2C1)C1CCOCC1 583623915 ADKKCKIQODGZHM-OLZOCXBDSA-N 291.395 1.624 0 50 CDAA Cc1cc(C(=O)NCc2nnc(O)n2C2CC2)ns1 585130125 ISFYFJTWBFWPLI-UHFFFAOYSA-N 279.325 1.014 0 50 CDAA CCN(CCn1cccn1)c1ncccc1C(=O)N(C)C 1149975222 WAIXHYJWWNVHOV-UHFFFAOYSA-N 287.367 1.506 0 50 CDAA O=C(NCCc1cn[nH]c1)[C@H]1COc2ccccc2C1 91321761 BNZIPQSCMYKDCH-CYBMUJFWSA-N 271.320 1.320 0 50 CDAA C[C@@H](Cc1ccccn1)NCc1noc2c1COCC2 1875270535 NHYZGUYFHFBLIR-NSHDSACASA-N 273.336 1.863 0 50 CDAA CC(C)(C)OC(=O)[C@](C)(NS(C)(=O)=O)C(F)(F)F 1615056455 YLIVRBKPKMJUFB-QMMMGPOBSA-N 291.291 1.198 0 50 CDAA COc1cccc([C@@H](C)C(=O)NCc2cnon2)c1 1615586119 ITRWASNPGAITBG-SECBINFHSA-N 261.281 1.498 0 50 CDAA Cc1n[nH]c(C)c1C(=O)N1CCC(C2(O)CC2)CC1 1772810352 KSQSBVFIVWBZDG-UHFFFAOYSA-N 263.341 1.404 0 50 CDAA O=C(NCCc1ncc[nH]1)c1nc2c(s1)CCCC2 1506397962 ZNIVKQSUDSWXFO-UHFFFAOYSA-N 276.365 1.718 0 50 CDAA C=Cc1ccc(NCCN2CCCC[C@H]2CO)nc1 1529168203 ZENZAAAJKMYZOY-AWEZNQCLSA-N 261.369 1.983 0 50 CDAA Cc1ccc(Cl)cc1C(=O)NC[C@H]1CCNC[C@@H]1O 215561530 DGSUWFMJKCDZPP-MFKMUULPSA-N 282.771 1.349 0 50 CDAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2ccco2)C1 643754809 GFEJNFFBVPWNHM-CQSZACIVSA-N 266.341 1.085 0 50 CDAA COCCNc1ncnc2c1cnn2-c1ccccc1 2889504 KGWVPYZUAIFHLE-UHFFFAOYSA-N 269.308 1.874 0 50 CDAA C[C@H]1CC2(CCNCC2)CN1S(=O)(=O)CCC1CC1 335031070 FLYFMNHRIHOBMG-LBPRGKRZSA-N 286.441 1.580 0 50 CDAA CN1CCC[C@H](Sc2nc3cncnc3[nH]2)C1=O 547821541 VBTYNFKMDURQCF-QMMMGPOBSA-N 263.326 1.066 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)[C@H]2CCCNC2)C1(C)C 246636371 KOLFHEAYEQJMLV-COPLHBTASA-N 254.374 1.306 0 50 CDAA C[C@@]1(O)CCOC2(CCN(CCN3CCCC3=O)CC2)C1 1704338983 MGOORHWFWQFXQW-OAHLLOKOSA-N 296.411 1.005 0 50 CDAA CN(C)c1ccccc1N(C)S(=O)(=O)c1cnn(C)c1 152532624 UOJRLQIMJZHJHV-UHFFFAOYSA-N 294.380 1.311 0 50 CDAA COC(=O)C[C@H](C)NC(=O)OCc1ccccc1 34485896 HSKIGKMMMZQYID-JTQLQIEISA-N 251.282 1.864 0 50 CDAA in-vitro Cc1ccc(NC(=O)c2cncnc2)cc1C(=O)O 229800857 KJWBROYMFLSTNK-UHFFFAOYSA-N 257.249 1.736 0 50 CDAA Cn1ccnc1SCC(=O)N1CCC[C@H](C2(O)CC2)C1 1772818858 MDNASSSIMPFUMN-NSHDSACASA-N 295.408 1.276 0 50 CDAA C[C@H](NC(=O)[C@H]1CCC(=O)N1)[C@H]1C[C@H]2CC[C@H]1C2 247123795 JWHUADJGEYXIIE-KKJSVHSVSA-N 250.342 1.206 0 50 CDAA NC(=O)c1cccc(NC(=O)COc2ccccc2F)c1 15545415 DYCLOZJERLOCHE-UHFFFAOYSA-N 288.278 1.942 0 50 CDAA CC[C@@]1(C)NC(=S)N2N1C(=S)N[C@@]2(C)CC 18061722 OLZITQXFEGHLND-AOOOYVTPSA-N 258.416 1.534 0 50 CDAA O=C(NCCNC(=O)[C@@H]1CC=CCC1)c1cccnc1 19595656 WVXFOYIYWVSTEX-GFCCVEGCSA-N 273.336 1.284 0 50 CDAA S=C(NCCCN1CCOCC1)NC1CCCC1 19815088 HMGRUSZZZZOXQF-UHFFFAOYSA-N 271.430 1.115 0 50 CDAA O=C1N[C@H]2C[C@@H]1N(C(=O)CCc1c[nH]c3ccccc13)C2 1857680697 SJGXAJGAZQIWKQ-FZMZJTMJSA-N 283.331 1.200 0 50 CDAA CS(=O)(=O)c1ccc(OC[C@H]2CC3CCN2CC3)cc1 1857687500 UTYRCVOZHLRUPJ-CYBMUJFWSA-N 295.404 1.953 0 50 CDAA O=C(NCc1cc2ccccc2o1)[C@H]1CCc2ncnn2C1 1857736560 MROZXQKBJGICCI-LBPRGKRZSA-N 296.330 1.903 0 50 CDAA CN(CCN(C)C1CC1)C(=O)c1nc2cnccc2s1 328592877 XINJXTPLBIHBCN-UHFFFAOYSA-N 290.392 1.858 0 50 CDAA Cn1ccc(CN2CC[C@@H](N=c3ccc4nccn4[nH]3)C2)c1 434533995 FVKISAVPXKXILN-CQSZACIVSA-N 296.378 1.176 0 50 CDAA Cn1cc(CC(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)cn1 335863814 QLNGXSFYASIUQQ-CHWSQXEVSA-N 277.368 1.521 0 50 CDAA COCCN(C(=O)c1cc[nH]n1)[C@H]1CC[C@@H](C)C1 252479910 BPOOSYXIVGJPOL-MNOVXSKESA-N 251.330 1.687 0 50 CDAA COc1ccccc1CC(=O)N1CCC2(CC1)OCCO2 6741355 XTXXMXUMQLIZIL-UHFFFAOYSA-N 291.347 1.603 0 50 CDAA CCS(=O)(=O)Nc1ccc(C(=O)NC2CC2)cc1 4841408 DIGOPOOHEHBXHX-UHFFFAOYSA-N 268.338 1.340 0 50 CDAA NC[C@@H]1CCCCN1C(=O)c1cccc2c1CCOC2 911722950 XJERYJIXGMKKEG-ZDUSSCGKSA-N 274.364 1.713 0 50 CDAA CCn1cc(CN2CCC3(CC2)C[C@](C)(O)CCO3)cn1 1704311358 GJUNXYBXWWCMSB-OAHLLOKOSA-N 293.411 1.799 0 50 CDAA CC(C)c1ncc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cn1 1704307739 KNCMSZMPGXHITF-GJZGRUSLSA-N 290.411 1.362 0 50 CDAA O=S(=O)(CCC1CC1)N1CCC[C@H]1c1ncccn1 907330809 BULQMZISACQKBE-LBPRGKRZSA-N 281.381 1.743 0 50 CDAA CCC1(CC)CCCN1C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 913806823 GHMXEEBLKXMIDR-CHWSQXEVSA-N 292.383 1.769 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H](C)O1 13155049 HMHFMQRBPQYTAO-PHIMTYICSA-N 255.339 1.485 0 50 CDAA Cc1conc1CN1CC[C@H](n2cc(C3CC3)nn2)C1 931125448 IENYEKGTKVLHAN-LBPRGKRZSA-N 273.340 1.899 0 50 CDAA Cc1nonc1CNC(=O)N1C[C@H](C)O[C@H](C2CC2)C1 864263684 PQHTYBBXJMFBCK-UFBFGSQYSA-N 280.328 1.087 0 50 CDAA C[C@H]1CCOCCN1C(=O)c1ccc(-c2cn[nH]c2)cn1 867219494 QJKAVJVWTSXFSI-NSHDSACASA-N 286.335 1.723 0 50 CDAA Cc1ccc(NC(=O)NC2(c3nn[nH]n3)CCC2)cc1 1875258665 AJZSPGFDAXGQNY-UHFFFAOYSA-N 272.312 1.709 0 50 CDAA CC(C)C[C@H](NC(=O)[C@H]1CC1(F)F)c1nn[nH]n1 1875290545 OPSDMTCCCQLSFB-RQJHMYQMSA-N 259.260 1.058 0 50 CDAA C[C@H](OC(=O)[C@H]1CCCc2c[nH]nc21)C(=O)NC1CC1 1875253762 GKDDRDOTGYVROP-KWQFWETISA-N 277.324 1.040 0 50 CDAA CN(C)C/C=C/C(=O)NCCc1ccc(N2CCC2)nc1 1875377119 SWWUFKVNDBAOKJ-HWKANZROSA-N 288.395 1.068 0 50 CDAA CC(=O)N[C@@H](Cc1ccccn1)[C@@H]1COc2ccccc2O1 1875321596 OANDSTLGTYTKFA-YOEHRIQHSA-N 298.342 1.969 0 50 CDAA CC[C@@H](NC(=O)/C=C/CN(C)C)c1cccc(OC)n1 1875379320 PTMOSCYHPQTHIB-YPUOHESYSA-N 277.368 1.775 0 50 CDAA Cn1ncc2c(C(=O)NC(C)(C)[C@@H]3CCCN3)ccnc21 1875305570 FMORSQBMLWYPGW-LBPRGKRZSA-N 287.367 1.229 0 50 CDAA O=C(C[C@H]1C=CCCC1)NCCc1cnc(O)nc1 899695589 SYIPHZYKPQGCMJ-NSHDSACASA-N 261.325 1.587 0 50 CDAA CCOC(=O)N1CCC(NCCc2ncc[nH]2)CC1 139132288 OMYOKOUIXGRKRO-UHFFFAOYSA-N 266.345 1.163 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@@H]1CCCOC1)C1CCCCC1 630266327 WHAVDHXNTAJERK-CHWSQXEVSA-N 283.368 1.810 0 50 CDAA CCOc1ccc(CN(C)C[C@@H]2CCOC2)cn1 584887731 UJILXRUVEKLPFF-ZDUSSCGKSA-N 250.342 1.949 0 50 CDAA C[C@@](O)(CNCc1cccc2c1OCCCO2)C(F)F 698618825 JYJXZLVFQFEXRB-CQSZACIVSA-N 287.306 1.954 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1nc(-c2cccs2)no1 1426612 YPASAQXKLOMDEP-QMMMGPOBSA-N 279.321 1.707 0 50 CDAA Cc1nc(=NC(=O)c2ccnc(C(C)C)n2)[nH]n1C(C)C 2100483435 UHSIIUBCKCJRQU-UHFFFAOYSA-N 288.355 1.755 0 50 CDAA Cc1cnn([C@@](C)(Cc2ccsc2)C(=O)O)n1 2325789268 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O=C1C[C@@]2(CCCN(c3nc(C4CC4)ns3)C2)CN1 408253953 AZKDJVTUIHMIJW-ZDUSSCGKSA-N 278.381 1.522 0 50 CDAA OCCN[C@@H]1CCCN(Cc2ncc(Cl)s2)C1 708643508 ZSIDTRPJJFUGPF-SECBINFHSA-N 275.805 1.343 0 50 CDAA C[C@H]1COCCN1CCNC(=O)c1cc(Cl)c[nH]1 330627694 XNYNBRHFEKFTEW-VIFPVBQESA-N 271.748 1.119 0 50 CDAA O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1[C@H]2CCCC[C@H]21 332926610 GHLVTYFVLWJZKR-WYUUTHIRSA-N 271.382 1.116 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@H]2CC(=O)O)nn1C 257742575 YIBLGZIMYZHLGL-JTQLQIEISA-N 265.313 1.198 0 50 CDAA OCCOCCNc1ccnc2c(F)cc(F)cc12 157710546 UNTRMWHXTZVNDA-UHFFFAOYSA-N 268.263 1.934 0 50 CDAA COc1ccc2c(c1)OCCN(c1ncccn1)C2 374572139 MJGWTWGHMMHILW-UHFFFAOYSA-N 257.293 1.884 0 50 CDAA CO[C@@H]1C[C@H](C(=O)N2CC(c3ccncc3)C2)CC[C@@H]1O 1704311490 LUUMIXDFAWBSRE-VHDGCEQUSA-N 290.363 1.183 0 50 CDAA CCc1ccc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)nc1 1704338032 JCSFCPUZHAMGJP-IJEWVQPXSA-N 287.407 1.991 0 50 CDAA CCCCOC(=O)[C@@H]1C[N@@]1C(C)(C)C(=O)OCC 1857666625 PCEYMUABFCOYQS-IINYFYTJSA-N 257.330 1.356 0 50 CDAA O=c1ccc(Br)nn1-c1ccccn1 1772718306 XQRFXWIPMYXXLI-UHFFFAOYSA-N 252.071 1.390 0 50 CDAA COc1nc(NCc2c(C)noc2C)ncc1F 1772702760 VHNHMGJWSPUDSA-UHFFFAOYSA-N 252.249 1.841 0 50 CDAA O=C1N(CC2CCCCC2)CCC[C@]1(O)CNCC1CC1 12030048 ADEFYTRGCJQQSX-KRWDZBQOSA-N 294.439 1.920 0 50 CDAA Cc1ccc(S(=O)(=O)NC[C@H](C)n2cncn2)c(C)c1 16648143 OBHWFONJBQEEAS-LBPRGKRZSA-N 294.380 1.434 0 50 CDAA Cc1nc2cc(C(=O)N3CCNC(=O)C3)ccc2s1 19146624 ODUZQEPSLOPHQF-UHFFFAOYSA-N 275.333 1.177 0 50 CDAA CN1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 19774146 KRDOHUGSALCVFQ-MRXNPFEDSA-N 259.397 1.903 0 50 CDAA O=c1c2cnc3ncnn3c2ccn1-c1ccccc1F 19959418 JVJNZXGZIQAUMM-UHFFFAOYSA-N 281.250 1.568 0 50 CDAA CN1CCN(c2ccc(C(=O)N3C[C@@H]4C[C@@]4(C)C3)cc2)CC1 1857691274 CPKVVZASFNWDEW-YJBOKZPZSA-N 299.418 1.920 0 50 CDAA N=c1[nH]c2c(s1)CN(C(=O)c1ccns1)CC2 1857691302 DYOYPVUGQPXAEF-UHFFFAOYSA-N 266.351 1.211 0 50 CDAA CN(Cc1nccs1)C[C@@H]1CCC(=O)N(C)C1 1857705172 WIZCWRHYWQKRJC-JTQLQIEISA-N 253.371 1.443 0 50 CDAA Fc1c(F)c(F)c(N2CCNCC2)c(F)c1F 3441670 IXHIQLUASOVALJ-UHFFFAOYSA-N 252.186 1.792 0 50 CDAA in-vitro Cc1ccc2[nH]c([C@@H]3CCCN([C@H]4CCNC4=O)C3)nc2c1 245944920 BGRAIOFQXOHUIS-DOMZBBRYSA-N 298.390 1.939 0 50 CDAA CC[C@H]1C(=O)NCCN1Cc1ccc(N(C)C(C)C)nc1 252509242 YHTVSJQBDVVDKW-AWEZNQCLSA-N 290.411 1.637 0 50 CDAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cc(C)n1 1704327149 PAQCHNVUJBZIAZ-ZFWWWQNUSA-N 289.379 1.101 0 50 CDAA O=C(Nc1cnc(C2CC2)nc1)[C@@]12CCCN(CC1)C2 827676946 QIYFOSYQRUOMBA-HNNXBMFYSA-N 272.352 1.778 0 50 CDAA COc1ccnc(NC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c1 842643482 ZFJNKEJZZHQMIV-ZJUUUORDSA-N 278.308 1.920 0 50 CDAA C[C@H](NCCCNC(=O)c1cccs1)C(C)(C)CO 863982445 LOQZZVFCVAWEEN-NSHDSACASA-N 284.425 1.865 0 50 CDAA CC1(C)CNCC[C@@H]1NC[C@@H](O)COc1ccccc1 864097315 SKXRPQMNTQSMQS-HIFRSBDPSA-N 278.396 1.404 0 50 CDAA CCCCNC(=O)N[C@@H]1CCN(c2nc(C)cc(O)n2)C1 952882238 SUMGWWSDHIQVGC-LLVKDONJSA-N 293.371 1.169 0 50 CDAA CO[C@@H](C(=O)N1CC[C@@H](c2ncon2)C1)c1ccccc1 952994807 UYQDHLKQRJLQMN-CHWSQXEVSA-N 287.319 1.773 0 50 CDAA COC(C)(C)CS(=O)(=O)Nc1cn(C)nc1C1CC1 1875280844 BNBZIDDGUGARLG-UHFFFAOYSA-N 287.385 1.464 0 50 CDAA O=C(c1c(F)ccc2n[nH]cc12)N1CCC[C@@H](CO)C1 1875292694 PRIUUDWPVQJHJK-SECBINFHSA-N 277.299 1.547 0 50 CDAA Cc1cc(O)c(COC(=O)[C@@H]2SCC[C@H]2C)nn1 1875277824 HHUDBWXMXBQBRC-RDDDGLTNSA-N 268.338 1.675 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H](C1CCC1)C(F)(F)F 1875377081 RTLTYDIQIHRGRW-ZPMKCOPCSA-N 264.291 1.951 0 50 CDAA Cc1cc(C(=O)N2CCNCC2)cc2cccnc12 1875344941 PLPQLGWNIJSOHP-UHFFFAOYSA-N 255.321 1.589 0 50 CDAA Cc1nc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)co1 1875396612 OMSWFUZOUPPLHU-SFYZADRCSA-N 290.323 1.658 0 50 CDAA COC(=O)/C=C/CNC(=O)CCOc1ccccc1F 1875312098 SQVKTRSNEFXAMP-QPJJXVBHSA-N 281.283 1.440 0 50 CDAA CN(C)C/C=C/C(=O)NCCc1ccc2c[nH]nc2c1 1875375933 VXFJMCRWBWRHNZ-ONEGZZNKSA-N 272.352 1.339 0 50 CDAA COc1cc(C)ccc1CN1CCO[C@H](OC)C1 877871607 SXFWSSDSYSVUCA-AWEZNQCLSA-N 251.326 1.808 0 50 CDAA O=C(c1ccoc1)N1CCOc2ccccc2[C@@H]1CO 887107316 FSWDFUJEGYSHKQ-ZDUSSCGKSA-N 273.288 1.848 0 50 CDAA C[C@@H]1CC[C@@H](CN(C)CC(=O)N2CCOCC2)C1 252572364 ZDBNPPBJKKVINT-CHWSQXEVSA-N 254.374 1.213 0 50 CDAA O=C(O)c1ccc(CNC(=O)[C@@H]2CC23CCOCC3)s1 643429354 GLBLJUQFDDRHGK-JTQLQIEISA-N 295.360 1.879 0 50 CDAA COc1cccc(CN2CC[C@@H](CC(N)=O)C2)c1F 368133728 KHEXZDNFDPEFMP-JTQLQIEISA-N 266.316 1.532 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCNc3ccccc32)O1 386047988 UUWBSNFDXLHEAI-NEPJUHHUSA-N 276.292 1.077 0 50 CDAA Cn1ccn(Cc2ccc(Br)cc2)c1=O 124766350 JSBCQRIAGZEUTD-UHFFFAOYSA-N 267.126 1.998 0 50 CDAA Cn1cnc2nc(=NCCCc3ccccc3)[nH]cc21 2100547831 NUJRRKBFSGTUSO-UHFFFAOYSA-N 267.336 1.830 0 50 CDAA CSc1n[nH]c(=NC(=O)N2C[C@@H]3CCC[C@H]32)s1 2325781964 JLQUWBXMSVXEDU-NKWVEPMBSA-N 270.383 1.698 0 50 CDAA Oc1cc(N[C@@H]2[C@H]3CCCCN[C@@H]32)c2ccncc2n1 2325800165 TUTLCZYPHMNJDX-NZVBXONLSA-N 270.336 1.888 0 50 CDAA C=CC(=O)N1CCC[C@@H](n2cc(C(=O)OCC)cn2)C1 2325885642 QBEXDDPLZQCBNM-GFCCVEGCSA-N 277.324 1.409 0 50 CDAA Cc1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C 148046 VDWBQNRPBUHWEY-UHFFFAOYSA-N 291.376 1.697 0 50 CDAA COc1cc(OC)cc(C(=O)N2CCN(C)CC2)c1 180934 JNWDQAIZWQWVIU-UHFFFAOYSA-N 264.325 1.091 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1 183169 ZLBJQKXSLZFZSC-UHFFFAOYSA-N 255.339 1.870 0 50 CDAA CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1C 245187 WPKKEQCPXUTCDZ-UHFFFAOYSA-N 253.254 1.489 0 50 CDAA O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)cccc12 288837 DDHQTWZKAJOZQL-UHFFFAOYSA-N 260.201 1.934 0 50 CDAA CCCn1nnnc1NC(=O)c1cccc(Cl)c1 578793 IBRCUOMIAFDQTM-UHFFFAOYSA-N 265.704 1.989 0 50 CDAA CCOC(=O)c1ccccc1NCN1C(=O)CSC1=O 1083226 VTCOKHMYDNKANP-UHFFFAOYSA-N 294.332 1.928 0 50 CDAA CN(C(=O)CSc1nnc(N)s1)c1ccccc1 1124945 PJVFRIQPQACFOP-UHFFFAOYSA-N 280.378 1.875 0 50 CDAA CCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(C)=O 4867923 MGIDUSRGRNNROP-UHFFFAOYSA-N 298.364 1.484 0 50 CDAA CC[C@@H](CO)NCc1cc(OC)c(OC)c(OC)c1 6702953 WSGWOFSWORQFQN-NSHDSACASA-N 269.341 1.573 0 50 CDAA COC(=O)CNS(=O)(=O)c1cc(C)c(Cl)cc1C 6741290 GVUCRPAWWSARKS-UHFFFAOYSA-N 291.756 1.408 0 50 CDAA Cc1nnc(S[C@H](C)C(=O)NC2=NCCS2)s1 9095988 UITQUGYGPZMEHJ-RXMQYKEDSA-N 288.423 1.546 0 50 CDAA COc1ccccc1CCN1C[C@H](C(=O)O)CC1=O 9246011 VOGPCVRSKDWVHU-LLVKDONJSA-N 263.293 1.171 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 226334725 HJWGQIWXLJCICV-DUVNUKRYSA-N 288.391 1.886 0 50 CDAA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cccc(F)c1 100431402 NPACSOMNMYSVDQ-KKOKHZNYSA-N 261.252 1.493 0 50 CDAA CC[C@H](CO)N(Cc1ccccn1)C(=O)CCSC 55153462 BRGRZHRNHAQMFZ-CYBMUJFWSA-N 282.409 1.934 0 50 CDAA O=C(O)C1CCC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 100149535 QEMCDXMBBXVOBM-CAODYFQJSA-N 277.320 1.581 0 50 CDAA CN1C(=O)Oc2ccc(Br)cc2[C@H]1O 39257491 KMIFSQJEZIUGCQ-MRVPVSSYSA-N 258.071 1.884 0 50 CDAA Cn1cc(C2=CCN(CCC(=O)N3CCCC3)CC2)cn1 65398792 FBIGEISLNVBHDO-UHFFFAOYSA-N 288.395 1.522 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@@H](C)OC 248143586 CVIZYKPQJFKNKM-MGPQQGTHSA-N 268.401 1.887 0 50 CDAA CCc1nnc(-c2ccc(OC)c(-n3cnnc3)c2)o1 65494264 WELHFRUFRVHQCS-UHFFFAOYSA-N 271.280 1.888 0 50 CDAA CCCc1cc(N[C@@H](C)C(=O)N(C)C)nc(C)n1 65397938 BFXLJVWOLPZMFT-VIFPVBQESA-N 250.346 1.626 0 50 CDAA CCc1nocc1CN1CCN(C)[C@@H](c2nc(C)no2)C1 353394689 NEAFZQUWCHKSBO-CYBMUJFWSA-N 291.355 1.417 0 50 CDAA COc1ccc2c(ccn2CC(=O)N[C@@H](C)C(=O)O)c1 32124122 AZDGRLGDDAABIF-VIFPVBQESA-N 276.292 1.239 0 50 CDAA biogenic CN(C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 252570795 XFZAHAUWJCBQKR-JTQLQIEISA-N 286.328 1.159 0 50 CDAA CCOC(=O)c1[nH]c(=O)[nH]c1-c1nc2ccccc2n1C 63872482 KECKXVOCHZJOTM-UHFFFAOYSA-N 286.291 1.433 0 50 CDAA COC(=O)c1c(N)sc2c1CCN(C(C)C)C2 390362 XTPDQXGAWXHVLX-UHFFFAOYSA-N 254.355 1.883 0 50 CDAA in-vitro O=C(Cn1nc2ccccc2n1)NCCc1ccncc1 216343249 PSADTMLQVSHVSD-UHFFFAOYSA-N 281.319 1.185 0 50 CDAA Cc1cnc([C@@H](C)N2CCC(N=c3cccn[nH]3)CC2)o1 329120600 PYWPJVTYLPFJMD-GFCCVEGCSA-N 287.367 1.832 0 50 CDAA Fc1cccnc1N1CC[C@H](NCc2ncc[nH]2)C1 153976802 HBGZVYYUZAQIOC-JTQLQIEISA-N 261.304 1.312 0 50 CDAA O=S(=O)(NCc1ccccc1)Nc1ccc(F)nc1 72165426 NCGVCJCWFJKHTD-UHFFFAOYSA-N 281.312 1.667 0 50 CDAA O=c1[nH]c(/C=C/c2cncs2)nc2cnccc12 151493797 DSCFVHUFWZUHMT-OWOJBTEDSA-N 256.290 1.945 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2c2nc(C(C)C)ns2)n1 328612705 PKECZSHGQHKVRO-RKDXNWHRSA-N 295.368 1.665 0 50 CDAA Cc1nnc([C@@H](C)N2CCCC[C@H]2Cn2cncn2)o1 257365803 OTAKOOIBMYMHGI-PWSUYJOCSA-N 276.344 1.585 0 50 CDAA Cn1cccc1CN[C@@H]1CCN(C(=O)c2ccncc2)C1 363858952 MYXGOJVFSQWZDZ-CQSZACIVSA-N 284.363 1.424 0 50 CDAA O=S(=O)(CC[C@@H]1CCCO1)N1CCOc2ccccc21 155688906 JIDKMIQBZVTEIY-LBPRGKRZSA-N 297.376 1.784 0 50 CDAA C[C@H]1[C@@H](N)CCN1C(=O)c1sccc1OC(F)F 335438655 UFPRWAXVYLDMNN-BQBZGAKWSA-N 276.308 1.911 0 50 CDAA CCCc1nnc(S)n1CC(=O)N1CCC2(CCC2)C1 158230281 QJVKADGUMLJZPO-UHFFFAOYSA-N 294.424 1.922 0 50 CDAA O=C(NC1(CO)Cc2ccccc2C1)[C@H]1C[C@]12CCOC2 332674944 BNBGMJAZWJZISJ-ZBFHGGJFSA-N 287.359 1.059 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCC[C@H](C(=O)O)C1 128540858 DYDKCEPUVLEMMA-JTQLQIEISA-N 294.351 1.665 0 50 CDAA Cc1cc(C(=O)N2CC[C@](CO)(C(C)C)C2)n[nH]1 334291738 DTEGSMNMYFBGKK-ZDUSSCGKSA-N 251.330 1.199 0 50 CDAA Fc1ccc([C@H]2CNCCN2)c(Br)c1 83313974 NMHXUWAUDUUCBM-SNVBAGLBSA-N 259.122 1.822 0 50 CDAA O=C(NCCc1cnccn1)[C@@H]1Cc2ccccc2O1 220532022 PZSVKWPPMBMNOK-AWEZNQCLSA-N 269.304 1.139 0 50 CDAA CN(C)c1ccnc(C(=O)NCC(=O)c2ccco2)c1 132494163 RHPJHGDVZVPRGH-UHFFFAOYSA-N 273.292 1.353 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CC[C@@H](N)C1 426431951 OEIUZOFDMFMVMZ-SECBINFHSA-N 260.263 1.337 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)NCCc1cnccn1 82138265 QOQOMOOYFFOJEI-UHFFFAOYSA-N 287.367 1.118 0 50 CDAA Cn1cc(Cl)cc1C(=O)NC(C)(C)c1n[nH]c(=N)s1 426536271 KTPYBVVELIAHDL-UHFFFAOYSA-N 299.787 1.608 0 50 CDAA CCC[C@@H]1CN(CCCn2nnnc2C)C[C@H]1N(C)C 82140426 LJUGNFBIAAJZGT-ZIAGYGMSSA-N 280.420 1.034 0 50 CDAA C[C@]1(C(=O)N2CCC(Cn3ccnc3)CC2)CCCO1 426383816 KWWPVZPLZWRGJB-OAHLLOKOSA-N 277.368 1.691 0 50 CDAA C[C@@H](CN1CCCC1)C(=O)N1CCC(CCC(=O)O)CC1 426536573 WTVSORKKYWJFIN-ZDUSSCGKSA-N 296.411 1.822 0 50 CDAA CC(C)CCn1cc(-c2nc(C(=O)N(C)C)n[nH]2)cn1 426541374 MVYCNPSQLZZJGI-UHFFFAOYSA-N 276.344 1.416 0 50 CDAA COC[C@H]1CCCN1C(=O)c1c(C)c(Cl)c(C)[nH]c1=O 97522511 BMJAGHNLLOHFGZ-SNVBAGLBSA-N 298.770 1.896 0 50 CDAA COc1ccc2[nH]c(C(=O)N3C[C@H](C4CC4)[C@@H](N)C3)cc2c1 91350977 CPLLZPSHVLQHOM-KGLIPLIRSA-N 299.374 1.986 0 50 CDAA CCn1ccc(CN2CC[C@](C)(O)C(C)(C)C2)n1 92021739 FIGMGKRCAQWPIP-AWEZNQCLSA-N 251.374 1.886 0 50 CDAA CCN1CCC(CC(=O)NCCCn2cc(C)cn2)CC1 95373998 PKPAYVZWGJKRGY-UHFFFAOYSA-N 292.427 1.820 0 50 CDAA CCC[C@]1(CO)CCCN(CCc2cnn(C)c2)C1 91876870 YTZIYOMUBGYWTM-HNNXBMFYSA-N 265.401 1.837 0 50 CDAA NC(=O)c1cc(Br)c2oc(N)nc2c1 97757427 PXCVERVCZDSZIZ-UHFFFAOYSA-N 256.059 1.271 0 50 CDAA CC(C)COC[C@@H]1C[C@]2(C[C@H](C)C(=O)CC2=O)C(=O)O1 239274719 APRSGORHRBTTNJ-PGUXBMHVSA-N 282.336 1.529 0 50 CDAA COCC1(C(=O)NCCc2nccs2)CCC1 339891197 JNHQAXPLOQPWRR-UHFFFAOYSA-N 254.355 1.619 0 50 CDAA Cc1cc(CNC(=O)Nc2c(C)nn(C)c2C)n[nH]1 96139597 YJKZNPKPZAEULY-UHFFFAOYSA-N 262.317 1.390 0 50 CDAA Cc1ncc2n1CC[C@@H](C(=O)N1CCC13CCC3)C2 335331911 LLAGHEONVCVDJC-GFCCVEGCSA-N 259.353 1.909 0 50 CDAA CNCCCNC(=O)c1cccn1Cc1cccs1 178417215 HHWNOYUBBRPMIE-UHFFFAOYSA-N 277.393 1.937 0 50 CDAA CN1CCOC[C@@H](CNc2nnc(C3CCC3)o2)C1 95363586 VBKPGZONHBMZFP-JTQLQIEISA-N 266.345 1.327 0 50 CDAA CC(=O)N1CCN(Cc2cc3ccccc3o2)C[C@@H](O)C1 91254596 STIMRWKRRCJHDM-CQSZACIVSA-N 288.347 1.458 0 50 CDAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCNC(=O)C1 92002727 BSHMQXAXLXANEW-UHFFFAOYSA-N 299.374 1.594 0 50 CDAA Cc1cc(C)n(CC(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1 91678686 HHALAIGMDSKXQW-QWHCGFSZSA-N 291.351 1.069 0 50 CDAA C[C@H](CCN1CCN2C(=O)NC[C@H]2C1)c1ccccc1 248886210 MEMUXWHMRHTWFB-HIFRSBDPSA-N 273.380 1.890 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 179220568 RMRZSEOCIVCHFB-TZMCWYRMSA-N 299.378 1.467 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)CN(C)C1CCCC1 244594105 DGLBRKZNLGWROE-GFCCVEGCSA-N 293.415 1.740 0 50 CDAA CC[C@@H]1CCC[C@H]([C@@H]2NC(=O)[C@@H]3COCCN32)C1 248374909 VBLAQIKYWDBNFX-MROQNXINSA-N 252.358 1.360 0 50 CDAA COCc1noc(CSc2ncnc3[nH]cnc23)n1 179869142 SSLIHOGJUCWFTB-UHFFFAOYSA-N 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CCN(Cc1cn(C)c(C)n1)C[C@@H](O)c1cccc(O)c1 1857689918 OPOSHNZHQUPBIG-MRXNPFEDSA-N 289.379 1.990 0 50 CDAA O=C(c1cnc2cnccc2c1)N1CCOCC2(CC2)C1 328806162 LWYQSCRGQDHVIK-UHFFFAOYSA-N 283.331 1.882 0 50 CDAA N[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2)C1 237920176 IXHBYIMZJQQWGR-NSHDSACASA-N 268.744 1.669 0 50 CDAA O=C(CCCOc1ccccc1F)NC1(C(=O)O)CC1 238075190 RDCJQJHZENKHTR-UHFFFAOYSA-N 281.283 1.718 0 50 CDAA CCc1noc(CNc2ccc3c(c2)CCNC3=O)n1 656657662 SQFKZZSYOGYHSD-UHFFFAOYSA-N 272.308 1.530 0 50 CDAA C[C@@](NC(=O)c1cnn2c1CCC2)(C(=O)O)c1ccccc1 663141488 MFNUREHVJQNBFP-INIZCTEOSA-N 299.330 1.559 0 50 CDAA CSC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1CO 252582032 ZESVIPQKNZTVJJ-GARJFASQSA-N 260.403 1.588 0 50 CDAA COC[C@H](Cc1ccccc1)N(C)CC(=O)NC1CC1 253397485 BAAORSQMYURRAT-HNNXBMFYSA-N 276.380 1.455 0 50 CDAA CCOCC(=O)N1CCC[C@](CO)(c2ccccc2)C1 253392702 NJMDQWXHOHRZKS-INIZCTEOSA-N 277.364 1.576 0 50 CDAA CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cccnc1 259981571 OVFPSPPSZNFQAV-CQSZACIVSA-N 299.330 1.381 0 50 CDAA O=C(NC1(C(=O)O)CCCC1)c1cnc2n1CCCC2 585139566 HWQZVUXFSMJDNS-UHFFFAOYSA-N 277.324 1.347 0 50 CDAA Cc1ccnc(N2CCN(CC[C@H]3CCCN3C)CC2)c1 163351385 OSBWKAJBPBXRTR-MRXNPFEDSA-N 288.439 1.996 0 50 CDAA COc1ccc(O)c(C(=O)NC[C@H](C)C(=O)OC(C)C)c1 266577932 UIRVTZNYZDMXAI-JTQLQIEISA-N 295.335 1.718 0 50 CDAA C[C@H](C(=O)NC1CCCC1)N1C[C@H]2[C@@H](O)CC[C@H]2C1 125233099 TXOMNAAWXOLHGX-WVWOOGAGSA-N 266.385 1.136 0 50 CDAA COc1ccc(S(=O)(=O)NCC(C)C)cc1OC 249236 HSORCDSKNKAVMK-UHFFFAOYSA-N 273.354 1.638 0 50 CDAA CCC[C@]1(C(=O)O)CCN(Cc2ccn(CC)n2)C[C@@H]1O 1704325399 LCGJFUWZNBSLIQ-ZFWWWQNUSA-N 295.383 1.341 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)C=C1CCC1 818311989 QMTRBFQDJBYDEG-ZDUSSCGKSA-N 253.298 1.189 0 50 CDAA C[C@@]1(CN)CCN(c2cc(C(F)F)nc3ncnn23)C1 905632750 CYPJHFLIESLLHU-LBPRGKRZSA-N 282.298 1.237 0 50 CDAA Cn1nncc1NC(=O)N1CCC[C@@H](C2CCOCC2)C1 931275842 DSCBPXJXQYDVDK-GFCCVEGCSA-N 293.371 1.486 0 50 CDAA C[C@@](O)(CN1CCc2nccc(N)c2C1)c1ccccc1 931510704 GVFCBTOBWBAHPC-QGZVFWFLSA-N 283.375 1.930 0 50 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O=C(NCCc1ccccn1)[C@H]1CC12CCNCC2 70252124 DUWUHQVACUNAEP-CYBMUJFWSA-N 259.353 1.130 0 50 CDAA O=C(CO)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71764153 CFVFZMMRYHYPMZ-LLVKDONJSA-N 255.701 1.232 0 50 CDAA CN(C)C[C@@]1(O)CCN(Cc2c(F)cccc2F)C1 72480376 FJRUVSISPAUJOE-AWEZNQCLSA-N 270.323 1.463 0 50 CDAA Cc1nnc(CNC(=O)c2cccc(OCCN)c2)s1 426658337 KMRMCJCQOAGGPG-UHFFFAOYSA-N 292.364 1.114 0 50 CDAA Cc1ccc(C(=O)N[C@@H]2CCNC(=O)CC2)cc1F 396645870 IKFBNWOKUQLLTF-NSHDSACASA-N 264.300 1.533 0 50 CDAA O=C(O)c1ccc2c(c1)C(=O)N(C1=NCCS1)C2=O 68402 NTZGKDIIFJJHRR-UHFFFAOYSA-N 276.273 1.084 0 50 CDAA Nc1ccc(I)c(F)c1O 575725414 DNHLXTUXJQHMRM-UHFFFAOYSA-N 253.014 1.718 0 50 CDAA COc1cc(CCNC2=NCCCN2C)cc(OC)c1 2325767052 RSPZBRYCNYCOCU-UHFFFAOYSA-N 277.368 1.527 0 50 CDAA COC1(CNC2=NC[C@H]3CC[C@@H](C)CN23)CCSCC1 2325864502 QJMOKJXWJFTHHD-CHWSQXEVSA-N 297.468 1.958 0 50 CDAA Cc1coc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 878336594 KMYKARWWWVKDPF-UHFFFAOYSA-N 288.307 1.315 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1[C@@H]1CC=CCC1 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HVFVSIUNZLKFJU-UHFFFAOYSA-N 294.311 1.354 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CN2CCCN1CC2)c1ccccc1 343051812 GBTLNRCFSBXAJN-HIFRSBDPSA-N 273.380 1.254 0 50 CDAA O=C(NCc1n[nH]c2c1CCCCC2)c1ccc(=O)[nH]c1 67674441 ZDJKYYPTNIDEMY-UHFFFAOYSA-N 286.335 1.297 0 50 CDAA O=C(NCCCN1CCOCC1)C(Cl)(Cl)Cl 22257851 KJEFPCZGQRCTFK-UHFFFAOYSA-N 289.590 1.195 0 50 CDAA C[C@H](C(=O)N(C)C)N(C)Cc1ccccc1C(=O)O 67921223 BXUUNFQTLQQOGV-SNVBAGLBSA-N 264.325 1.293 0 50 CDAA O=C(c1ccc2nc(O)[nH]c2c1)N1CCc2n[nH]cc2C1 344432410 FIHTWQUMVRMPKC-UHFFFAOYSA-N 283.291 1.190 0 50 CDAA CC(C)c1nc([C@@H]2COC(=O)N2)n(-c2ccccn2)n1 65371719 GRGHTGPMFWQCMR-VIFPVBQESA-N 273.296 1.567 0 50 CDAA O=C(Cn1cccnc1=O)Nc1ncsc1C1CC1 914113892 IJUJFJICPCDXRT-UHFFFAOYSA-N 276.321 1.216 0 50 CDAA COc1ncccc1-c1ccc(NS(C)(=O)=O)nc1 67675225 GBWPWUJPDYGJNX-UHFFFAOYSA-N 279.321 1.524 0 50 CDAA CCC(=O)NCCNc1nc(C)cc(N2CCCCC2)n1 67604013 BZIHEZVGGRVAHE-UHFFFAOYSA-N 291.399 1.713 0 50 CDAA Cc1c[nH]c(CN(C)c2nc(C)nc3c2CCNCC3)n1 63871202 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CCCC1(CO)CCN(C(=O)c2ncc(C)[nH]2)CC1 216019878 IXAQMWBPSRNFLS-UHFFFAOYSA-N 265.357 1.733 0 50 CDAA O=C(CO)N1CCC[C@H](CCc2ccccc2F)C1 71763169 SOCKIAAPUYRMLD-GFCCVEGCSA-N 265.328 1.989 0 50 CDAA CCn1nc(C)c(C(=O)N2CCC[C@H](NC)C2)c1Cl 151046648 QFMQTOSPENATBU-JTQLQIEISA-N 284.791 1.689 0 50 CDAA CCc1cnc(CN(C)[C@H]2CCN([C@H]3CCOC3=O)C2)o1 257366202 NBDBMOMEIWUZSF-AAEUAGOBSA-N 293.367 1.059 0 50 CDAA O=C(NC1CCCCC1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 216256661 GZFZHAGZCXCMND-XRRVDJEJSA-N 263.337 1.958 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)o1 238086201 OFKFTTHGBFUJEQ-DTWKUNHWSA-N 267.281 1.259 0 50 CDAA O=C([C@H]1CCCOC1)N1CC[C@@H](Oc2cccnc2)C1 123222786 UWACSFSLPKRDJX-GXTWGEPZSA-N 276.336 1.488 0 50 CDAA Cn1cccc1S(=O)(=O)N1CCC[C@]2(CCOC2)C1 334906798 MFBKMZCAKVKHRU-ZDUSSCGKSA-N 284.381 1.216 0 50 CDAA CC(=O)NC1CN(C(=O)N[C@@H](C)CC(C)(C)C)C1 332079584 YWGHYEKFOHBVLA-VIFPVBQESA-N 255.362 1.341 0 50 CDAA CCn1nc(C)c(C(=O)NCc2ccc(C(=O)O)o2)c1C 262125902 JPSWMJQVBDKIFR-UHFFFAOYSA-N 291.307 1.741 0 50 CDAA Cc1ccsc1CN(C(=O)[C@H]1CNCCO1)C1CC1 71662241 JGZFNZKGBOYLFU-GFCCVEGCSA-N 280.393 1.536 0 50 CDAA O=C(c1c[nH]nc1-c1ccsc1)N1C[C@@H](O)C2(CC2)C1 335686544 YPMMLFJGCDVTKR-LLVKDONJSA-N 289.360 1.735 0 50 CDAA Oc1n[nH]c([C@H]2CCCN(CCOCC(F)(F)F)C2)n1 377485072 OOWZOBZABKUWON-QMMMGPOBSA-N 294.277 1.269 0 50 CDAA CC[C@@](C)(CC(=O)O)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 237024908 KOTJAOUGFFLIDT-YGRLFVJLSA-N 284.356 1.003 0 50 CDAA CO[C@H](C)CS(=O)(=O)Nc1ccc(C(=O)O)cc1C 282240261 QBMKMRHPLWSLGA-SECBINFHSA-N 287.337 1.470 0 50 CDAA CCC(=O)N1CC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 286749130 LMBNFUUBESRQIG-LLVKDONJSA-N 277.368 1.879 0 50 CDAA CN(CC(=O)N(C)Cc1ccon1)Cc1ccc(F)cc1 221347416 JSQDRQQJXUOHEU-UHFFFAOYSA-N 291.326 1.904 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCC3(CCNCC3)C2)o1 223011172 GNMOVCSINAJBHL-UHFFFAOYSA-N 276.336 1.164 0 50 CDAA Nc1nccc(C2CCN(C(=O)c3cc[nH]c3)CC2)n1 221237277 JDAOLADRSFTLDT-UHFFFAOYSA-N 271.324 1.407 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(CCc2ccc3ccccc3c2)C1 284556032 GXPFMOKPCILGSW-IRXDYDNUSA-N 298.386 1.957 0 50 CDAA Cc1cc2c(cc1C)[C@H](C(=O)NC1(C(=O)O)CCC1)CO2 263521992 HQKYKKUPCKHOKE-GFCCVEGCSA-N 289.331 1.903 0 50 CDAA C[C@@H]1CN(c2ccc(Br)cn2)C[C@H]1C(N)=O 284666428 PZJVOFCXVMMDRT-VXNVDRBHSA-N 284.157 1.402 0 50 CDAA COCc1nc(C)c(CNC(=O)[C@@]2(C)CCCO2)s1 426421171 MMIWQOCXDDKUCN-CYBMUJFWSA-N 284.381 1.783 0 50 CDAA O=C(CO)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 220013769 RVIAUJNFRBBYRE-IJGSQOGDSA-N 286.331 1.155 0 50 CDAA Cc1cc2ncc(C(=O)N[C@@H](C)[C@@H](C)C(=O)O)c(C)n2n1 132539494 QAKPYAUKJPKHOG-BDAKNGLRSA-N 290.323 1.185 0 50 CDAA C[C@H](CNC(=O)c1ccc2[nH]cnc2c1)c1nncn1C 288040535 ISLYIOBQEWRSTQ-SECBINFHSA-N 284.323 1.225 0 50 CDAA CN1CCC[C@H]1CN(C)S(=O)(=O)CC1CCCC1 420769794 PSCLLVHSVNXSSN-ZDUSSCGKSA-N 274.430 1.532 0 50 CDAA Cc1cc(C(=O)N2CCO[C@H](c3ccco3)C2)on1 176723875 WAVYETZPWSDMSY-LBPRGKRZSA-N 262.265 1.790 0 50 CDAA CN(C)[C@H](C(=O)NCCCCO)c1cccc(F)c1 91365307 YHDUCNIYPSOCAT-ZDUSSCGKSA-N 268.332 1.317 0 50 CDAA Cc1cnn([C@H](C)CNC(=O)c2c(Cl)c(C)nn2C)c1 426689951 UCJQTURTBNMRII-SECBINFHSA-N 295.774 1.878 0 50 CDAA Cc1nnsc1CN1C(=O)COc2cccnc21 95360610 PHZQZIIFKFXITG-UHFFFAOYSA-N 262.294 1.167 0 50 CDAA CC(=O)c1ccc(N2CCOCC2)c(CCC(N)=O)c1 91412506 PZMSFTYZPUFGDT-UHFFFAOYSA-N 276.336 1.144 0 50 CDAA Cc1nc(NC[C@H]2CCS(=O)(=O)C2)c2nc(C)oc2n1 91691219 YSRQZOKAKAHHAR-SECBINFHSA-N 296.352 1.081 0 50 CDAA CC[C@@H](c1nc(-c2cccnn2)no1)N1CCOCC1 95501027 LWUALIGBWRCHFM-NSHDSACASA-N 275.312 1.310 0 50 CDAA COCc1cccc(-c2nc([C@H]3CCOC3)no2)n1 96164849 ZTCCQPYGOCJEIO-VIFPVBQESA-N 261.281 1.782 0 50 CDAA COCC[C@H]1CN(c2ncnc(C)c2C)CCO1 91690506 SXSDZJJXFSGCQY-LBPRGKRZSA-N 251.330 1.335 0 50 CDAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NC(=O)CN)C1 91535469 FHUQTVLDWYFSHJ-NSHDSACASA-N 290.411 1.863 0 50 CDAA CCc1ccccc1OC1CN(C(=O)c2ccc[nH]c2=O)C1 95362371 BVYRVOIISVOHIC-UHFFFAOYSA-N 298.342 1.841 0 50 CDAA CN(Cc1nccs1)C(=O)c1ncn(C(C)(C)C)n1 292295033 YKTMMJZNUMSVAY-UHFFFAOYSA-N 279.369 1.762 0 50 CDAA CN(CC1(N(C)C)CCC1)C(=O)c1cn(C)nc1C1CC1 292376306 LKUZSTMUVASFQA-UHFFFAOYSA-N 290.411 1.854 0 50 CDAA O=C(Cn1ccc(=O)cc1)N(Cc1nccs1)C1CC1 244884297 YJJAFZYIUDRTMY-UHFFFAOYSA-N 289.360 1.496 0 50 CDAA COc1ccc([C@H](NC(=O)C2CCC2)[C@H]2C[C@@H](O)C2)cn1 244595080 DOGSZXLWAUPGIL-GUTXKFCHSA-N 290.363 1.819 0 50 CDAA OC[C@@H]1COCCN1Cc1cncn1Cc1ccccc1 252488992 JDIYSPHPMCCQPU-MRXNPFEDSA-N 287.363 1.125 0 50 CDAA CS[C@H](C)CNC(=O)N1CCCC[C@@H]1CCO 180771727 HVUFZRQWVOGVOU-GHMZBOCLSA-N 260.403 1.684 0 50 CDAA CN1C[C@H](N=c2[nH]c(-c3ccc(F)cc3)no2)CCC1=O 623984274 BVSPVPUOGZRITE-LLVKDONJSA-N 290.298 1.330 0 50 CDAA COCCN1C[C@@H](Cc2ccc3cn[nH]c3c2)CC1=O 252484867 GJRVKQWPQDNBLD-LBPRGKRZSA-N 273.336 1.600 0 50 CDAA C[C@@H]1CCc2sc(C(=O)NCCn3ccnn3)cc2C1 534653786 XBDLYEBAKWOJFZ-SNVBAGLBSA-N 290.392 1.894 0 50 CDAA O=C(NC[C@@H]1CCN(C2CCCCC2)C1)C1CCNCC1 534662739 OWIZEKYZJDMOMQ-AWEZNQCLSA-N 293.455 1.757 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)c1nc(C2CC2)no1 534658760 SYZHAJBPDLPQCI-VIFPVBQESA-N 289.339 1.707 0 50 CDAA CNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 264819533 XCZSMWRPOYMQFP-LBPRGKRZSA-N 294.782 1.867 0 50 CDAA CCn1c(N)c(C(=O)NC)c(=O)c2ccc(Cl)nc21 116548914 YKTHWJYNEJKGFD-UHFFFAOYSA-N 280.715 1.012 0 50 CDAA COc1cc(C)ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O 534649860 CKSRJXXKEDCISS-JTQLQIEISA-N 295.291 1.051 0 50 CDAA c1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 299760067 UWWYHNBXWANIJP-GJZGRUSLSA-N 270.336 1.624 0 50 CDAA c1cc(OC[C@H]2CCCNC2)ccc1CN1CCOCC1 299777231 BKSSCABHNAATLV-INIZCTEOSA-N 290.407 1.897 0 50 CDAA O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccc[nH]1 828188947 OCJOTMQATZGCQV-NSHDSACASA-N 287.319 1.642 0 50 CDAA CC[C@H](C)Cc1nc(C2(C(N)=O)CC2)n(-c2cccnc2)n1 822620028 MIVIPULKOZHRRR-NSHDSACASA-N 299.378 1.768 0 50 CDAA O=C(NCC1(CN2CCCC2)CC1)[C@@H]1CCOC1 827778720 QQQCXKOXACCWPK-GFCCVEGCSA-N 252.358 1.015 0 50 CDAA O=c1c2nccnc2ncn1C/C=C/c1ccccc1 584900833 PKNHWWXANNRGNE-QPJJXVBHSA-N 264.288 1.900 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cc2ncccn2n1 584888022 DEIUCRGALZEXBN-QMMMGPOBSA-N 284.323 1.560 0 50 CDAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1cn[nH]c1 670453417 PAXKHSGGGLDIAG-GFCCVEGCSA-N 290.392 1.866 0 50 CDAA C[C@H]1CC[C@H](C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)CC1 670437814 PLHTWCFPTNUCMO-VGWMRTNUSA-N 294.439 1.870 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc(O)nc1 584893814 WIAFRUCINQINAT-ZETCQYMHSA-N 260.297 1.618 0 50 CDAA CNC(=O)[C@H]1CCN(C(=O)c2cccc3c2CCC3=O)C1 670472098 MRUKIVQXROSBGL-JTQLQIEISA-N 286.331 1.024 0 50 CDAA C[C@H](O)CN1CCC(CNC(=O)c2ccc(F)cc2)CC1 1001136843 BDIAKYIEFHXZIN-LBPRGKRZSA-N 294.370 1.648 0 50 CDAA NCc1nc(C(=O)NCc2coc(-c3ccccc3)n2)co1 670441509 PTSRAGXSNHBYMW-UHFFFAOYSA-N 298.302 1.718 0 50 CDAA O=C(NCCCc1ncc[nH]1)[C@@H]1CCC[C@H](O)C1 1074605034 YBZRXSLXSAQCKS-MNOVXSKESA-N 251.330 1.010 0 50 CDAA c1cncc(O[C@@H]2CCN(Cc3csnn3)C2)c1 131351905 KSDOUAWJTCYSNO-GFCCVEGCSA-N 262.338 1.586 0 50 CDAA O=C(NCc1ccc2c(c1)COC2)c1cc(=O)cc[nH]1 1417667532 CFKFHSUQUQRJGH-UHFFFAOYSA-N 270.288 1.335 0 50 CDAA C[C@H](CN(C)CCO)NCCc1nc2ccccc2[nH]1 952984678 LVXDGLFDFXQONX-GFCCVEGCSA-N 276.384 1.008 0 50 CDAA CCC[C@H]1CN(c2cc(OC)ncn2)C[C@@H]1C(=O)O 1565510108 VVEYLSNVMXPGSE-UWVGGRQHSA-N 265.313 1.422 0 50 CDAA CNC(=O)c1ccc(NC(C)(C)C(=O)O)cc1F 85577566 IAAHEGARPMZSTJ-UHFFFAOYSA-N 254.261 1.460 0 50 CDAA in-vitro O=C1CC[C@H](C(=O)Nc2cnn(CCF)c2)n2cccc21 628767186 OJDUUXPWIHMCBU-GFCCVEGCSA-N 290.298 1.810 0 50 CDAA CC(C)(NS(C)(=O)=O)c1noc(C2CC=CC2)n1 273895957 DNTAMLACEJEERK-UHFFFAOYSA-N 271.342 1.288 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1CCN[C@H](C)C1 188453540 QCJKBDVNCKEQKA-LLVKDONJSA-N 262.357 1.336 0 50 CDAA Cn1cc(CCC(=O)N2CCC[C@H]2C2CCCC2)nn1 666942728 PCWVTGLAWWVVBE-AWEZNQCLSA-N 276.384 1.929 0 50 CDAA CO[C@@H](C)CSCC(=O)Nc1cc(C)nn1C 193716084 MZPPBQJXSGYYFD-VIFPVBQESA-N 257.359 1.435 0 50 CDAA Cc1c(C(=O)NCc2cnn[nH]2)oc2c1C(=O)CCC2 673919241 QFWMECYYZQKQFT-UHFFFAOYSA-N 274.280 1.155 0 50 CDAA CC(C)[C@H]1C(=O)NCCN1Cc1ccc(C(=O)O)cc1F 652409448 BMDAISDFBRHWQA-ZDUSSCGKSA-N 294.326 1.480 0 50 CDAA Cc1cnc(CNc2ncnc3c2ncn3C2CC2)nc1 583704200 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1506429826 ZYRKDBIRTJCDES-JTQLQIEISA-N 276.336 1.806 0 50 CDAA Cc1cc(N)n(CC(=O)N2CCC[C@H]2c2cc(C)on2)n1 1506419669 HTCSQXCURBGXSK-LBPRGKRZSA-N 289.339 1.434 0 50 CDAA CC(C)C[C@H](CN)NS(=O)(=O)Cc1cccc(F)c1 225478145 SFCSLYPRVYSUOU-CYBMUJFWSA-N 288.388 1.619 0 50 CDAA Cc1cc(F)cc(NC(=O)C(=O)Nc2ccon2)c1 122449716 RSAATSVNESAJPV-UHFFFAOYSA-N 263.228 1.699 0 50 CDAA CC[C@H](Nc1nccnc1N(C)C)c1ccnn1C 1529138635 HEIYFJDTUDVQRN-JTQLQIEISA-N 260.345 1.839 0 50 CDAA COC(=O)[C@@H]1CC12CCN(CCNC(C)C)CC2 253420890 NHCARJNKRPMLTI-LBPRGKRZSA-N 254.374 1.260 0 50 CDAA CCOC1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)CC1 111472932 XSEPGYBABKQHDB-NEPJUHHUSA-N 283.368 1.905 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3cncs3)C[C@H]2O)on1 1704297217 OZOAIWCOHNDHSU-ZWNOBZJWSA-N 279.365 1.475 0 50 CDAA Cc1nc[nH]c1CSCCn1c(C)cc(O)cc1=O 1547200847 KUQCXKXKSLKQPJ-UHFFFAOYSA-N 279.365 1.827 0 50 CDAA CNC1CCN(C(=O)COc2ccccc2F)CC1 237071281 IAMWZAILBIIFPN-UHFFFAOYSA-N 266.316 1.415 0 50 CDAA Cn1nccc1CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 122896287 WGQOAFFFPSMXRI-OLZOCXBDSA-N 294.399 1.956 0 50 CDAA Cc1nsnc1C(=O)N(C)[C@H](C)c1ccncn1 1857683494 HMLDRRXXOKFSRV-MRVPVSSYSA-N 263.326 1.470 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)c2cnsc2)n[nH]1 1857699091 HNASJHDFBKRJIM-ZETCQYMHSA-N 250.327 1.536 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC[C@@H](C2(O)CC2)C1 1772810728 KGFDSZUKIFUADC-CYBMUJFWSA-N 277.368 1.496 0 50 CDAA O=C(c1ccc2nn[nH]c2c1)N1CCC[C@@H](C2(O)CC2)C1 1772806647 ZSQLSUYEGPNEFH-LLVKDONJSA-N 286.335 1.335 0 50 CDAA Cc1nc(N2C[C@H]3CCN(C)C(=O)[C@H]3C2)sc1C 1772817557 DDYHAVJIQRUOFT-MNOVXSKESA-N 265.382 1.674 0 50 CDAA c1cc(Cn2ccnc2-c2cnc[nH]2)c2ccnn2c1 1772810173 CSNIGMHFEPDGTB-UHFFFAOYSA-N 264.292 1.969 0 50 CDAA CC(C)n1cncc1-c1nccn1[C@H]1CCN(C)C1=O 1857708450 UYEQGWOCHWLAJK-NSHDSACASA-N 273.340 1.731 0 50 CDAA CSC[C@H](C)N1CCC(=O)N(CC(C)C)CC1 12218985 AXALMBQLVQQDHV-LBPRGKRZSA-N 258.431 1.928 0 50 CDAA N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1 18275903 GYFPHRSBRZDSET-MRVPVSSYSA-N 283.740 1.835 0 50 CDAA COC(=O)c1ccc(-c2nccn2[C@H]2CC(=O)N(C)C2)cc1 1857678892 CEKHDGCWUZNCNR-ZDUSSCGKSA-N 299.330 1.740 0 50 CDAA Cc1nc(N2CCCN(C(=O)C3CC3)CC2)c2[nH]ccc2n1 1857690688 OQQPWDDXGZTDER-UHFFFAOYSA-N 299.378 1.715 0 50 CDAA O=C(Nc1cccc2c1CCO2)c1cn2c(n1)CCNCC2 1857720168 HQKRNUPMNSGBMH-UHFFFAOYSA-N 298.346 1.216 0 50 CDAA O=C(c1cccs1)N1CCC2(CC1)OCCO2 153872 DNPNUGWLHVKOOV-UHFFFAOYSA-N 253.323 1.727 0 50 CDAA CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C2(C)CC2)C1 408152534 BDKVIFDLYDIITG-LLVKDONJSA-N 290.367 1.874 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)O 2556729 KMODKKCXWFNEIK-JTQLQIEISA-N 266.297 1.602 0 50 CDAA in-vitro COc1cccc(C(=O)N[C@@H]2CCc3ncnn3C2)c1 112647834 ZYTBZMUXGXXMGV-LLVKDONJSA-N 272.308 1.032 0 50 CDAA Cc1nc2ccc(N3CCC[C@H]3C(C)(C)O)nn2n1 252492317 MIOWIPFYWKHUCH-JTQLQIEISA-N 261.329 1.172 0 50 CDAA CO[C@H](CN1CCN(C)[C@H](c2nc(C)no2)C1)C(C)C 585089071 APIITUJQVSOVPJ-QWHCGFSZSA-N 282.388 1.338 0 50 CDAA CC[C@H](CO)Sc1nnc2cc(C)nc(C)n12 585138762 VZUDDXAQHIPNKA-SECBINFHSA-N 252.343 1.604 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)c1ccc(N2CCCC2)nc1 262890516 NPXCIQOBGSLMOZ-JTQLQIEISA-N 277.324 1.227 0 50 CDAA O=C(O)CCNC(=O)N1CCc2c(F)ccc(F)c2C1 263414527 VQPCTNPLUWUUFW-UHFFFAOYSA-N 284.262 1.507 0 50 CDAA C[C@]1(O)CCOC2(CCN(C(=O)C3CCOCC3)CC2)C1 1704335877 HVEBFLDBNPLPFM-HNNXBMFYSA-N 297.395 1.336 0 50 CDAA Nc1ncc2c(n1)[C@]1(CCCN(c3ccccn3)C1)CC2 1704325449 LQXOXAOHDYBVPK-MRXNPFEDSA-N 281.363 1.938 0 50 CDAA Cc1ccc(F)cc1CN1CC[C@H](C(=O)O)[C@H](O)C1 1704304374 MPWOAYAUCWRTFF-QWHCGFSZSA-N 267.300 1.402 0 50 CDAA Cc1cnc([C@@]2(NC(=O)c3cccn3C)CCOC2)[nH]1 818680410 URWPWCHCSOPRDT-CQSZACIVSA-N 274.324 1.102 0 50 CDAA C[C@H]1CNCCN1C(=O)COCc1ccccc1Cl 126428830 IBTIXTIXUPDNOV-NSHDSACASA-N 282.771 1.677 0 50 CDAA CN(CCNC(=O)[C@](C)(O)c1ccc(F)cc1)C1CC1 930648836 AXQPVNANPPHSDT-OAHLLOKOSA-N 280.343 1.244 0 50 CDAA O=C(Nc1cc(C(F)(F)F)no1)[C@@H]1[C@H]2COC[C@H]21 857137957 MXIGPZWVACCVQU-FBMACHJBSA-N 262.187 1.524 0 50 CDAA Cc1ccc(F)c(CN2CC[C@@H](CO)[C@@H](O)C2)c1F 1138114990 UERDOMUPWCEUSA-GWCFXTLKSA-N 271.307 1.448 0 50 CDAA O=S(=O)(CCC1CC1)N=S1(=O)CCCC1 1875279762 CKMGSSUGJODYQO-UHFFFAOYSA-N 251.373 1.378 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1c(C)c(C)cc(C)c1C 11566166 RHDUGKXAATUHCQ-CYBMUJFWSA-N 285.409 1.969 0 50 CDAA CCNC(=O)N1CCCOC12CN(C(=O)OC(C)(C)C)C2 952995402 LCMLEENVVOOFLB-UHFFFAOYSA-N 299.371 1.385 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cnc(C(C)(C)C)s1 1875273282 LHLNIOGOEFECOO-AATRIKPKSA-N 282.365 1.900 0 50 CDAA Cn1nnc(C(=O)N2CCC[C@@H](c3ccncc3)CC2)n1 1875284032 KWPXGEIFTUUPCU-LLVKDONJSA-N 286.339 1.015 0 50 CDAA O=C(NO[C@H]1CCOC1)[C@@H]1COCC[C@@H]1c1ccccc1 1875266100 FLWDJSWGMKHRAJ-RRFJBIMHSA-N 291.347 1.643 0 50 CDAA CNC(=O)COc1cccc(OC[C@H]2C[N@]2CC2CC2)c1 1875381505 XJBNQHOMTJPLRD-ACJLOTCBSA-N 290.363 1.284 0 50 CDAA Cn1c(-c2nc([C@@]34OCCC[C@H]3C4(F)F)no2)cnc1O 1875392885 YLDWEQNIOAYHGI-HQJQHLMTSA-N 298.249 1.447 0 50 CDAA CC[C@H]1C(=O)NCCCN1C(=O)CCCn1ccnc1C 886519827 GHNGHMRONHMEOR-ZDUSSCGKSA-N 292.383 1.099 0 50 CDAA COCc1cccc(CN[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1 888076179 FHRPXVAXGXTLTJ-ARFHVFGLSA-N 287.363 1.494 0 50 CDAA C[C@H](C(=O)N1CCc2ncccc21)c1ccnn1C 888142082 OUEKDUJDKYJYCF-JTQLQIEISA-N 256.309 1.508 0 50 CDAA COC[C@H](OC)C(=O)Nc1ccc(Cl)c2cn[nH]c12 1775999416 RBHQKXKNBHXAJX-JTQLQIEISA-N 283.715 1.816 0 50 CDAA CCc1onc(C)c1CS(=O)(=O)c1cnccn1 899479450 XFABXLKZAWWNMJ-UHFFFAOYSA-N 267.310 1.309 0 50 CDAA CS[C@H](C)C(=O)N1CCC[C@H](CCC(=O)O)C1 237415869 WKFRFNLDEJDJKH-NXEZZACHSA-N 259.371 1.841 0 50 CDAA CNC[C@@H]1CCN(C(=O)Cc2cc(Cl)ccc2OC)C1 178962244 FQBMYRLNCYAIRJ-NSHDSACASA-N 296.798 1.959 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2ncccc2O)CCCO1 294286060 HCWVXHDKILJFOJ-GFCCVEGCSA-N 264.325 1.674 0 50 CDAA Cc1cc(N)nc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 871101504 QMUKOCGIVORDSO-WCQGTBRESA-N 260.341 1.737 0 50 CDAA CCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1 118673 XOEZAAQIEFDCTO-UHFFFAOYSA-N 279.731 1.918 0 50 CDAA CC(=O)Nc1ccc(OC[C@@H](O)Cn2ccnc2)cc1 818229 BWGLYCLYDKGWBH-ZDUSSCGKSA-N 275.308 1.281 0 50 CDAA O=C(NC[C@@H]1CCCCO1)c1n[nH]cc1C1CCC1 2325784957 VZGGJJHKAQZFMX-NSHDSACASA-N 263.341 1.976 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]2CN)c1 131723066 GCBBYEMIWOTXLT-JTQLQIEISA-N 272.345 1.246 0 50 CDAA NC(=O)c1ccccc1NC(=O)CSc1ccccn1 181661 OLHPAXOOFDSWKM-UHFFFAOYSA-N 287.344 1.911 0 50 CDAA Cc1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1 280544 MKCJTZBDAVWFDD-UHFFFAOYSA-N 295.298 1.625 0 50 CDAA NC(=O)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 299362 YVJSPHOZLNSJAC-UHFFFAOYSA-N 281.356 1.720 0 50 CDAA O=C(CCn1nnc2ccccc2c1=O)NCc1ccco1 425479 RIVYPLPDWTYFIT-UHFFFAOYSA-N 298.302 1.091 0 50 CDAA CCOc1cc(C=O)cc(Cl)c1OCC(N)=O 464763 LIIYHMZQOKLGAI-UHFFFAOYSA-N 257.673 1.415 0 50 CDAA Cc1ccncc1C(=O)N1CCC[C@]12CCCN(C)C2=O 2356152996 MBXLNAGBKSWCLQ-INIZCTEOSA-N 287.363 1.617 0 50 CDAA CSc1c(CC(=O)NCCO)n(C)c2ccc(C)cc12 2983516 QYLGERPROHUOOV-UHFFFAOYSA-N 292.404 1.860 0 50 CDAA O=C(CCCOc1cccc(F)c1)N1C[C@H](F)C[C@H]1CO 347413708 QYVHZDJSMYRVRE-OLZOCXBDSA-N 299.317 1.916 0 50 CDAA [O-][n+]1c2ccc3nonc3c2nn1-c1ccc(F)cc1F 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COCc1cc(N2CCC[C@@H](CO)C2)n2nccc2n1 72453696 ZCEDAKWMLVBCNC-LLVKDONJSA-N 276.340 1.084 0 50 CDAA C[C@H](Cc1ccccn1)NC(=O)c1ccncc1O 215477515 IUBDCVQESMFQKZ-SNVBAGLBSA-N 257.293 1.543 0 50 CDAA CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2CSCN2)C1 121586763 OYOGUZYBBVIDAB-MXWKQRLJSA-N 274.455 1.782 0 50 CDAA C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C(=O)O 35570887 BBGSNKXBKDVHPM-CMPLNLGQSA-N 263.293 1.976 0 50 CDAA CO[C@H]1CN(C(=O)CCCCc2ccccc2)CC[C@H]1N 71759129 UKRDJYLUVDZKFU-CVEARBPZSA-N 290.407 1.974 0 50 CDAA CCOC1CC(CN2CCN(C)[C@H](c3nc(C)no3)C2)C1 329089657 WGMQFPLLXBDVKR-RUXDESIVSA-N 294.399 1.482 0 50 CDAA Cn1nc(CO)c2c1CCN(c1ccc3cc[nH]c3n1)C2 72173723 QBNISXYFWMKMHF-UHFFFAOYSA-N 283.335 1.351 0 50 CDAA O[C@H](c1ncc[nH]1)C1CCN(Cc2cccnc2)CC1 364964201 VVJFFJACMSTTIS-AWEZNQCLSA-N 272.352 1.750 0 50 CDAA NC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 155001220 FDUHBWCPSAGUPR-SNVBAGLBSA-N 290.392 1.836 0 50 CDAA COc1nccnc1NC[C@H]1CC(=O)N(C2CCCC2)C1 32586937 HCHSOIMPXVQRQN-LLVKDONJSA-N 290.367 1.688 0 50 CDAA CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H](N)C2)s1 158276873 CNVAEOOLHBGBNK-UWVGGRQHSA-N 283.397 1.722 0 50 CDAA Cc1ncsc1NC(=O)CCOC1CCOCC1 330978649 DIYKZMOSKIFAAH-UHFFFAOYSA-N 270.354 1.976 0 50 CDAA CN(C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1CC1 368364737 XBOWBVWRSUACTA-GDNZZTSVSA-N 295.383 1.656 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 335772527 FBAGQKOEMICRML-ZWNOBZJWSA-N 293.273 1.636 0 50 CDAA O=C(c1ccoc1C1CC1)N1CC(F)(F)C[C@H]1CO 375607041 KSZNDFOSRCDVOP-VIFPVBQESA-N 271.263 1.999 0 50 CDAA O=C(O)[C@@H]1CN(Cc2cc3ccccc3o2)CCO1 72425703 SIOBTSGAPPAALW-ZDUSSCGKSA-N 261.277 1.718 0 50 CDAA O=C(Cc1n[nH]c2ccccc12)N1CC(F)(F)C[C@H]1CO 372501670 GGCWKLVNCYGJKS-VIFPVBQESA-N 295.289 1.334 0 50 CDAA Cc1ccc(NC(=O)CN2CCn3ncnc3C2)cc1C 332549565 IOOCPNYDXLGPDC-UHFFFAOYSA-N 285.351 1.349 0 50 CDAA O=C(O)C1(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)CC1 376842727 BTMWAINLFSFKAC-GFCCVEGCSA-N 297.351 1.038 0 50 CDAA C[C@@H](CN1CCCC1=O)NC(=O)c1c(F)ccc(O)c1F 281034119 VSFLHCTXZZHPQA-QMMMGPOBSA-N 298.289 1.411 0 50 CDAA CC[C@H](C(=O)N1CC2CCC1CC2)N1CCCC1=O 378472042 HEWWGUFMGIOZEE-WXRRBKDZSA-N 264.369 1.788 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)OCO2 220723806 SFKROMQHVBFPJB-BXUZGUMPSA-N 293.319 1.339 0 50 CDAA CC(C)Nc1ncccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C 282122465 HTKMBLNJKZTBEI-CMPLNLGQSA-N 290.367 1.299 0 50 CDAA Cn1cc(-c2ncc(C(=O)N3CCC[C@H]3CN)s2)cn1 237719643 XYQVAJIVNMHKLG-JTQLQIEISA-N 291.380 1.107 0 50 CDAA c1c[nH]c(CNc2ccc(N3CCOCC3)cn2)n1 131314073 KFDAZHZBZAYFKT-UHFFFAOYSA-N 259.313 1.253 0 50 CDAA CSCC(=O)N1CCN(c2ccnc(C)c2)CC1 222251232 URDDWOYZQULFFR-UHFFFAOYSA-N 265.382 1.402 0 50 CDAA Cc1ncsc1CCNC(=O)C[C@H]1CCCOC1 426465240 NWCZNVVLGFCKCI-LLVKDONJSA-N 268.382 1.927 0 50 CDAA CC1(C)C[C@@H](C(=O)NCc2ccc(C(=O)O)o2)CCO1 426527747 JAHOWNDFYMUSRW-VIFPVBQESA-N 281.308 1.799 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)N(C)C2CCOCC2)n[nH]1 426421029 CRGULXNPQOQHRQ-JTQLQIEISA-N 280.372 1.470 0 50 CDAA OC[C@@H](Cc1ccco1)Cn1ccnc1-c1c[nH]cn1 82097837 XAVVBGUCWWBINH-NSHDSACASA-N 272.308 1.717 0 50 CDAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1C(=O)O 426492756 GWKQMEXILUDKHF-CYBMUJFWSA-N 299.330 1.776 0 50 CDAA Cc1ccc2[nH]c(CN3CC[C@@H](N(C)C)C3)cc(=O)c2c1 91441092 KYCBGTXRPFDFOC-CQSZACIVSA-N 285.391 1.972 0 50 CDAA Cc1nc(CCNC(=O)Nc2ccc(Cl)nc2C)n[nH]1 96148552 KCQBQOFUSPMUIW-UHFFFAOYSA-N 294.746 1.834 0 50 CDAA C[C@H]1CCCCN1C1CN(C(=O)c2ncccc2O)C1 95358666 DHULZWFEBYUOLK-NSHDSACASA-N 275.352 1.486 0 50 CDAA CC(C)Nc1ncc(C(=O)N[C@@H]2CCSC2)cn1 97745026 YWKLSJZDEVEBEI-SNVBAGLBSA-N 266.370 1.532 0 50 CDAA Cc1c(CN(C)C(=O)[C@H]2COc3ccccc3C2)cnn1C 95522979 HOHIMNQYPSVRPL-CQSZACIVSA-N 299.374 1.938 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CCNC2)C[C@@H](c2ccsc2)O1 237619691 CTGMZQJQAYGQDW-MDZLAQPJSA-N 280.393 1.646 0 50 CDAA CC(=O)N1CCN([C@@H](C(=O)O)c2cccc(F)c2F)CC1 95384856 OEDKAJLWBOOAPW-CYBMUJFWSA-N 298.289 1.255 0 50 CDAA Cc1n[nH]c(C)c1CNc1cc([C@H]2C[C@@H](O)C2)ncn1 244773976 PJUOMSZWRRRYAW-PHIMTYICSA-N 273.340 1.667 0 50 CDAA O=C(NCCc1n[nH]c2c1CCCC2)c1ccno1 244734890 NNNAZKXVANCBMK-UHFFFAOYSA-N 260.297 1.249 0 50 CDAA CCOC(=O)CN1CCN(c2ccccc2OC)C[C@H]1C 244795277 RDAJHMKQVKLBAC-CYBMUJFWSA-N 292.379 1.769 0 50 CDAA CC(C)(C[C@@H]1CCCN(C(=O)c2cscn2)C1)C(N)=O 622636258 YHQLKWMWEZFDQO-JTQLQIEISA-N 295.408 1.897 0 50 CDAA O=C([C@@H]1C[C@@H]2C[C@@H]2C1)N1C[C@@H]2CCC[C@]2(C(=O)O)C1 701561949 PZIBUHNNAQXAPK-AATHHKPASA-N 263.337 1.746 0 50 CDAA COc1ccc(CN(C)c2ccc3nncn3n2)c(OC)c1 298327282 WSDCGRDPJADESV-UHFFFAOYSA-N 299.334 1.778 0 50 CDAA C[C@H](C(=O)N1CC[C@H](N)C1)c1ccc(F)c(F)c1 299739787 RIHRUPADCIHTTK-WPRPVWTQSA-N 254.280 1.628 0 50 CDAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccc2sc(C)nc2c1 534661272 OYUWBDRMFCEQHZ-RYUDHWBXSA-N 291.376 1.321 0 50 CDAA C[C@@H](CCC(=O)NCC1(CO)CCCC1)N1CCOCC1 534652286 UNOLVEBLWKHPBV-AWEZNQCLSA-N 298.427 1.156 0 50 CDAA COCCC(=O)NC[C@H]1CCN(C2CCCC2)C1 534664753 LDYNAZJVZKUHCT-GFCCVEGCSA-N 254.374 1.404 0 50 CDAA CN(C)C(=O)c1ccc(N2CCC[C@H](N(C)C)C2)nc1 264898358 VOCJVHGRAUKEMT-ZDUSSCGKSA-N 276.384 1.314 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCO[C@H](C)C2)cc1F 271225057 HCKMGMIGTOCXMV-GHMZBOCLSA-N 287.356 1.980 0 50 CDAA Cc1cnn(CC2CCN(C(=O)c3ccno3)CC2)c1 299765295 DZTFGVFZJIOSLH-UHFFFAOYSA-N 274.324 1.732 0 50 CDAA COc1cccc(C)c1C(=O)NCC1(O)CCN(C)CC1 824795710 RUACDWKUZBSDRA-UHFFFAOYSA-N 292.379 1.190 0 50 CDAA COC(=O)[C@]12C[C@@H]3[C@H]([C@H]1C(C)=NN2C(C)=O)C3(C)C 584904340 YDKGIZGIQKTBSY-BIAAXOCRSA-N 264.325 1.428 0 50 CDAA CCCn1nccc1C(=O)NCCc1nccs1 584898514 UZEIBBNAXPLXHZ-UHFFFAOYSA-N 264.354 1.722 0 50 CDAA COc1nc(N2CCC[C@@H](CCC(N)=O)C2)ncc1F 670452827 ROHBUDFQUJVLEU-VIFPVBQESA-N 282.319 1.106 0 50 CDAA COCCN1CC[C@@H](CN(C)Cc2ccc(OC)nc2)C1 670473515 MIDMJMILMDAHFZ-HNNXBMFYSA-N 293.411 1.490 0 50 CDAA Nc1nccc(NCCOc2cccc(C(F)(F)F)n2)n1 1337819055 NNXULRQHBDFIGP-UHFFFAOYSA-N 299.256 1.964 0 50 CDAA CCOc1ccnc(N[C@@H]2CC=CC[C@H]2C(N)=O)n1 952870233 YQNNZFLPVOHPIF-NXEZZACHSA-N 262.313 1.107 0 50 CDAA Cc1ccccc1OC[C@H](O)C(=O)N(C)Cc1ccoc1 952973865 VKQLHQQDNXGYDE-AWEZNQCLSA-N 289.331 1.986 0 50 CDAA C[C@]1(O)CCN(C(=O)c2cc(Cl)ccc2F)C[C@H]1O 1565526604 QHRLGOOZKBKEBM-YPMHNXCESA-N 287.718 1.437 0 50 CDAA Cc1c[nH]c(C(=O)N[C@H]2CCOC[C@@H]2OCC2CCC2)n1 1565526233 PNZYYSYFUJYXNI-STQMWFEESA-N 293.367 1.422 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccc(N(C)C)c1 1565506085 YMVVHJOCKJRTKB-KBPBESRZSA-N 278.352 1.286 0 50 CDAA Cn1cc([C@H]2CCCCN2CCC2OCCO2)cn1 408516276 HDJRLDQXULROGS-CYBMUJFWSA-N 265.357 1.710 0 50 CDAA CCn1cnc2c(NCc3ncc(C)cn3)ncnc21 408523794 NHGPZCOSHFLEOD-UHFFFAOYSA-N 269.312 1.557 0 50 CDAA CCn1cnc2c(N[C@H](CO)C(C)(C)C)ncnc21 268470540 HTJCGANXYWIZAL-SECBINFHSA-N 263.345 1.665 0 50 CDAA CN(CCC1CC1)C(=O)c1cn(C)nc1[C@@H]1CCOC1 275394012 AJXZQYSDNALCJB-GFCCVEGCSA-N 277.368 1.796 0 50 CDAA COc1ccnc(NC[C@H]2CC[C@@H](c3nc(C)no3)O2)n1 275326314 JPLJXGWDVKGXFA-ZJUUUORDSA-N 291.311 1.509 0 50 CDAA Cn1c(S)nnc1CCNC(=O)[C@@H]1C[C@@H]1C1CCC1 170653237 SCXXDKGFWRXTNN-NXEZZACHSA-N 280.397 1.199 0 50 CDAA Cc1csc(N2C(=O)[C@@H](C)N(C3CC3)C2=O)n1 170613871 WBKBXWPYVVZPRH-SSDOTTSWSA-N 251.311 1.771 0 50 CDAA CC[C@@H]1CC[C@H](C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O)O1 668296361 MXUGBRSKMXHLMT-TXWLSFLZSA-N 281.352 1.560 0 50 CDAA COCCO[C@H]1CCCN(Cc2ccnc(N)c2)C1 193455379 VZKFSJRWCDKXMI-ZDUSSCGKSA-N 265.357 1.291 0 50 CDAA COc1cccc(CC(=O)N2CCc3c[nH]nc3C2)c1 676790278 PIBROGYYCSJTAL-UHFFFAOYSA-N 271.320 1.546 0 50 CDAA COC(=O)[C@@H]1CN(Cc2cc(Cl)cs2)CCO1 194379171 QKILYKKODLLJHS-JTQLQIEISA-N 275.757 1.775 0 50 CDAA CCS(=O)(=O)NC(=O)c1cc2cc(C)ccc2o1 732605244 RCOPBTWWZUYTNC-UHFFFAOYSA-N 267.306 1.821 0 50 CDAA Cc1nonc1Cn1cnc2c(oc3ccccc32)c1=O 733871304 BXYDIXMBIZEQDJ-UHFFFAOYSA-N 282.259 1.882 0 50 CDAA Cc1cnn(C)c1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 1615003063 ZNXJCWILFCDNBF-CHWSQXEVSA-N 299.330 1.772 0 50 CDAA C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C)C2)CCS1 1615582540 ABBHGNFBTSCTTB-VXGBXAGGSA-N 256.415 1.682 0 50 CDAA CC(C)(C)CC(=O)NC[C@@H](Cc1cccnc1)C(=O)O 1615587063 AWQCFCXDCDXWHC-GFCCVEGCSA-N 278.352 1.877 0 50 CDAA Cc1nnsc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 221022486 BXOXIOPQDLAHHF-UTLUCORTSA-N 295.364 1.704 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCC[C@H]2CN)c1Cl 237721568 RVCHVQUHGUOCNF-JTQLQIEISA-N 288.800 1.760 0 50 CDAA CC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 129742112 INOOKBWGCMMTOX-CHWSQXEVSA-N 282.771 1.977 0 50 CDAA COCCNC(=O)CNc1ccc(Br)cn1 134724535 AJZAKCLSEQFWJQ-UHFFFAOYSA-N 288.145 1.019 0 50 CDAA O=C(O)CNC(=O)c1cc(Cl)ccc1Br 223835640 BJLFYOLPRYOCRO-UHFFFAOYSA-N 292.516 1.917 0 50 CDAA COC[C@H](C)C(=O)Nc1ccc(C)c(C(=O)O)c1 237234555 BRVVDMMYRGMAPN-VIFPVBQESA-N 251.282 1.914 0 50 CDAA CCc1cnc(N)nc1NC[C@@H]1CCCN(CCOC)C1 1704336239 WPXCZRMOAAGKJC-LBPRGKRZSA-N 293.415 1.392 0 50 CDAA O=C(CCc1ccoc1)N[C@H]1CCC[C@H]1C(=O)O 263530004 LZOKBITUJMYHPL-MNOVXSKESA-N 251.282 1.582 0 50 CDAA CCOC(=O)c1cn2nc(SC)nc2nc1C 4936857 LMXGAWKMSQHOKZ-UHFFFAOYSA-N 252.299 1.331 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@H]2CN1c1nc(-c2ccccc2)no1 1772707065 SKEWZWOYZGPFIQ-YPMHNXCESA-N 298.346 1.936 0 50 CDAA Cc1nc(-c2oc(C)nc2C)n(-c2cnn(C)c2)n1 1772816862 VSUAJIXFCRAUKT-UHFFFAOYSA-N 258.285 1.581 0 50 CDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 13416340 BZUNCDPEEKFTCX-CABCVRRESA-N 299.374 1.740 0 50 CDAA C[C@H]1CN(C(=S)NC(=O)C(C)(C)C)C[C@@H](C)O1 16184005 OIMVSOKYWFUSCE-DTORHVGOSA-N 258.387 1.543 0 50 CDAA Cc1cccc(O[C@@H](C)C(=O)N2CCN(C)CC2)c1C 16266038 MWBOLQKYJJOSCT-AWEZNQCLSA-N 276.380 1.845 0 50 CDAA Brc1cnc(O[C@@H]2CCCNC2)nc1 16678707 HBAYDUMSWQKSEP-MRVPVSSYSA-N 258.119 1.370 0 50 CDAA O=C(NCCCN1CCOCC1)Nc1ccccc1F 19681776 HSDNWVVJOBHPKV-UHFFFAOYSA-N 281.331 1.670 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(CN(C)C)C3)n[nH]c21 1857527041 NDCXBJGWDPVSLX-ZJUUUORDSA-N 292.383 1.066 0 50 CDAA Cc1conc1CNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857529719 DWMPIIUKJYKFOK-BDAKNGLRSA-N 290.323 1.658 0 50 CDAA COC(=O)[C@H]1[C@@H](O)CCCN1CC=Cc1ccc(F)cc1 1857533318 GNPIIJANHDIJPC-LSDHHAIUSA-N 293.338 1.837 0 50 CDAA COc1cc(N2CC[C@@H]3NCCC[C@@H]3C2)nc(OC)n1 1857679073 WECCFTNBQYLUTL-MNOVXSKESA-N 278.356 1.072 0 50 CDAA COc1ccc(CNC(=O)[C@H]2CC[C@@H](N)[C@H](OC)C2)cc1 1857715188 GIPDPSMBVBBYPT-NWANDNLSSA-N 292.379 1.454 0 50 CDAA Cc1cc(CN(C)c2c(C)c(C)nc3ncnn23)no1 301579198 UHADLSWTMJIZHM-UHFFFAOYSA-N 272.312 1.674 0 50 CDAA CC[C@@H](NC(=O)C[C@H](C)c1ccccc1OC)C(=O)NC 408520584 MYKZQIWKIBQYBA-WCQYABFASA-N 292.379 1.830 0 50 CDAA CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C 151081 VOFMVGKEJXTNCQ-UHFFFAOYSA-N 256.327 1.517 0 50 CDAA in-vitro Cn1ccc2ccc(C(=O)N[C@H]3CCOC[C@@H]3O)cc21 633691076 LKANUGMRGKMQPP-JSGCOSHPSA-N 274.320 1.058 0 50 CDAA CC1(C)OC[C@H](CON2C(=O)c3ccccc3C2=O)O1 14985576 HOMXLUCZVUHMLW-SECBINFHSA-N 277.276 1.366 0 50 CDAA in-vitro COc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)nn1 345880748 YZAIWDRFCYIIJN-UHFFFAOYSA-N 287.275 1.365 0 50 CDAA O[C@@H]1CCOC[C@H]1[C@H]1CCCN1c1ncccc1F 359308782 ZLVKFAUREUYGGX-CYZMBNFOSA-N 266.316 1.587 0 50 CDAA CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@@H](C)CSC)C1 585130390 OTIWNFODYKRQFN-HBNTYKKESA-N 291.388 1.735 0 50 CDAA CCCCNC(=O)[C@@H](C)N1CCC(N2CCOCC2)CC1 585116303 PFNXRRKUJXPUSS-CQSZACIVSA-N 297.443 1.088 0 50 CDAA CCOC(=O)c1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2 35269692 UQNMISYKKAQDDT-UHFFFAOYSA-N 295.339 1.811 0 50 CDAA in-vitro C[C@](O)(CC(=O)N1Cc2c[nH]nc2C1)c1ccccc1 820212616 AAKJKRLQQQRCAG-HNNXBMFYSA-N 271.320 1.550 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCCC12CCOCC2 861543708 CYSMNHVLKCIYFH-GFCCVEGCSA-N 280.368 1.096 0 50 CDAA Cc1noc([C@@H]2CCc3nnn(C4CCC4)c3C2)n1 952895437 VTIABTZMRHCJBF-SECBINFHSA-N 259.313 1.967 0 50 CDAA O=C(NCc1cc2ncccc2[nH]1)C1CC2(CCCNC2)C1 1875292792 SSTGBBCEOCZWOI-UHFFFAOYSA-N 298.390 1.959 0 50 CDAA CC(C)[C@@H](C(=O)NOc1ccccc1F)n1cnnc1 1875395475 YJMUKCGDBUAWFL-LBPRGKRZSA-N 278.287 1.725 0 50 CDAA Cc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1C(N)=O 1875388131 OETJHFLRAWVJOU-UHFFFAOYSA-N 292.726 1.733 0 50 CDAA Cc1c(C(N)=O)nc(NC(=O)c2ccc(Cl)cc2)n1C 1875387939 GIWYTYNQHHOMBA-UHFFFAOYSA-N 292.726 1.733 0 50 CDAA CCC(=O)N1CC[C@@H](NC(=O)/C=C/CN(C)C)[C@H](CC)C1 1875378511 FDMCUXGCSGTAMO-GODNBWANSA-N 295.427 1.258 0 50 CDAA CC1=CC[C@H](N[C@H]2COC[C@H]2Oc2cnn(C)c2)CC1 888078369 LXCYXMNNUPCIBR-AEGPPILISA-N 277.368 1.655 0 50 CDAA O=S(=O)(C1Cc2ccccc2C1)N1CC[C@]2(CCO2)C1 1775999807 YLSGHUBKBBAGNE-HNNXBMFYSA-N 293.388 1.348 0 50 CDAA Cn1nncc1CNc1ccc(Br)cc1CO 897825448 ZAICUAYPEGTYBI-UHFFFAOYSA-N 297.156 1.682 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)nc(N)n1 20256505 NGXUPPYNWLFREE-SNVBAGLBSA-N 289.364 1.801 0 50 CDAA CCCN1CCN(CC(=O)Nc2nccs2)CC1 20595197 RWBXIWGLJMTHNL-UHFFFAOYSA-N 268.386 1.109 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2)[nH]n1 71776891 HMKPXYOGKIEWHZ-LBPRGKRZSA-N 271.320 1.986 0 50 CDAA COc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)=NC3)cn1 330149939 MWBMRSOYUOCONY-QWRGUYRKSA-N 275.308 1.424 0 50 CDAA Cc1cnc(CN(C)C(=O)c2ccnn2C(C)C)[nH]1 426737307 AEWBKCWSHDFBMX-UHFFFAOYSA-N 261.329 1.768 0 50 CDAA C[C@@]1(C(=O)Nc2cnn3cccnc23)CC(C2CC2)=NO1 2325810155 BKHUZYPBNCTIKP-AWEZNQCLSA-N 285.307 1.613 0 50 CDAA O=C(NCc1cn2ccsc2n1)c1cnc2[nH]ccc2n1 2325876441 VQAJOJRFMJIUKH-UHFFFAOYSA-N 298.331 1.597 0 50 CDAA NC1=NC(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S1 538848 KJJXONLMYMGHHA-QMMMGPOBSA-N 283.740 1.625 0 50 CDAA O=C(c1cccc2ncnn12)N1CC[C@H](c2cc[nH]n2)C1 2356137988 DHPWZTSHPVSHEG-JTQLQIEISA-N 282.307 1.082 0 50 CDAA C[C@@H](Sc1n[nH]c(N)n1)C(=O)OCc1ccccc1 6072820 PMCFHBRXWPPZBT-MRVPVSSYSA-N 278.337 1.611 0 50 CDAA NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)cs1 6678633 CYNTUKMAPCMHCT-UHFFFAOYSA-N 296.373 1.326 0 50 CDAA CCc1ccc(S(=O)(=O)N2CC[C@H](CO)C2)s1 51885798 BPZYJFOEXVUCQB-VIFPVBQESA-N 275.395 1.313 0 50 CDAA COC[C@H](C)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248114212 IEMVWFOTKMOAIQ-YNEHKIRRSA-N 254.374 1.354 0 50 CDAA O=C(NCC1CCN(C(=O)C2CC2)CC1)c1ccno1 20256281 LXGSTJWQRTXYNT-UHFFFAOYSA-N 277.324 1.053 0 50 CDAA C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CCCC1=O 27748934 SKQJXFIFVWTIIF-ZIAGYGMSSA-N 295.427 1.378 0 50 CDAA O=c1cc(-c2nc([C@@H]3CCOC3)n[nH]2)[nH]n1-c1ccccc1 102458825 FKYAVPATMYVHGB-SNVBAGLBSA-N 297.318 1.455 0 50 CDAA COc1cccc(CC(=O)N2C[C@@H](F)C[C@H]2CO)c1 347445126 YDSAAYSRCNANTO-RYUDHWBXSA-N 267.300 1.169 0 50 CDAA CC(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)C1 246580983 LPRSXDVNAWHOFB-MRVWCRGKSA-N 266.385 1.940 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2ccc(-c3ncon3)cc2)C1 134008417 GBFGPQJBWAARQE-CYBMUJFWSA-N 286.335 1.561 0 50 CDAA CC1(C)C[C@@H](NC(=O)N2CCC[C@]2(C)CO)C(C)(C)O1 134205086 JAGYXXUTVDAKMX-IAQYHMDHSA-N 284.400 1.889 0 50 CDAA COCCNC(=O)C1CCN(Cc2ccccc2)CC1 20100551 KQOHJTTWXGFPLO-UHFFFAOYSA-N 276.380 1.661 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1Cc1ncc[nH]1 65396118 RFHDZGHMDRCSMA-NSHDSACASA-N 250.346 1.243 0 50 CDAA O=C(NCCc1cn2ccsc2n1)[C@@H]1CCCO1 74555381 DIRLUALCPXFNQJ-JTQLQIEISA-N 265.338 1.234 0 50 CDAA COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCC1=O 26898796 IMXBDLLIOVQVIF-GFCCVEGCSA-N 291.303 1.387 0 50 CDAA Cc1cccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)c1 20728495 FOOUCLAISMEYLA-JTQLQIEISA-N 271.280 1.109 0 50 CDAA Cc1ncc(C(=O)NC[C@H]2NCCc3ccccc32)c(C)n1 423683107 WLDPGHJJELYQCJ-MRXNPFEDSA-N 296.374 1.710 0 50 CDAA COc1ccc2c(c1)C[C@@H](C(=O)Nc1cc(C)n[nH]1)CO2 119606516 ZXJGBTMAWBCMSW-LLVKDONJSA-N 287.319 1.917 0 50 CDAA CCCC(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 33359514 OYYUAOANVVIJTD-CYBMUJFWSA-N 282.384 1.320 0 50 CDAA O=c1c2cncnc2ccn1Cc1nnc2n1CCCCC2 330324183 IGIYZYRBRPFDIJ-UHFFFAOYSA-N 296.334 1.158 0 50 CDAA C[C@@H](OC1CCCCCC1)C(=O)Nc1nnn[nH]1 125496653 IFFMKWVCJFLVBJ-MRVPVSSYSA-N 253.306 1.266 0 50 CDAA CO[C@@H](C)CC(=O)OCCCN1CCOC[C@H]1C 252512736 VEIFANOOLNSDJY-NEPJUHHUSA-N 259.346 1.065 0 50 CDAA COCCNC(=O)c1cccc(Oc2nccc(C)n2)c1 72437840 JNRYMRZQASXOGA-UHFFFAOYSA-N 287.319 1.954 0 50 CDAA O=C(O)Cn1ccc(NC(=O)CC[C@@H]2CCCCO2)n1 123032909 RUQITVSGSRHKMK-JTQLQIEISA-N 281.312 1.256 0 50 CDAA CC(=O)Nc1ccccc1CC(=O)NCC[C@@H](O)C(C)C 253432560 LDPXURPDYYWFSP-OAHLLOKOSA-N 292.379 1.711 0 50 CDAA CCOC(=O)c1cccnc1N[C@@H]1CCC[C@@H]1C(=O)NC 358326533 WJWNAJJBKPYQDN-CMPLNLGQSA-N 291.351 1.585 0 50 CDAA CCOc1ccc(CN2CC[C@H](C)[C@H]2CO)nc1 241466153 NVDVKJWJAUQYII-SMDDNHRTSA-N 250.342 1.683 0 50 CDAA C[C@@H](Oc1ccccn1)C(=O)N1CC2(CCOC2)C1 333028621 BHLIDIZUSAMASA-LLVKDONJSA-N 262.309 1.098 0 50 CDAA C[C@](O)(CNC(=O)C1(C(=O)O)CC1)c1ccc(F)cc1F 154947222 FJHQDQTZKNPHRR-ZDUSSCGKSA-N 299.273 1.153 0 50 CDAA CS(=O)(=O)C1(C(=O)Nc2ccncc2F)CCC1 280457760 WXHXRXSUJJLTFY-UHFFFAOYSA-N 272.301 1.127 0 50 CDAA CC(=O)N[C@@H]1CCN(C(=O)Nc2cccc(C3CC3)n2)C1 333840837 LBXAZQGKQNLSQX-GFCCVEGCSA-N 288.351 1.701 0 50 CDAA O=C(O)CCc1nnc(C(=O)Nc2ccccc2)s1 34927208 CFBBVAKTGBLVAN-UHFFFAOYSA-N 277.305 1.808 0 50 CDAA C[C@@H](N)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 261891969 WQYINDSPEMMTEK-KWCYVHTRSA-N 262.353 1.448 0 50 CDAA O=C1NCCCC[C@@H]1N1CCC[C@@H](OCC2CC2)C1 375321344 VCQHIASGRBGOKQ-KGLIPLIRSA-N 266.385 1.546 0 50 CDAA C/C(=C\c1ccccc1)CN1CCOC[C@@H]1CC(N)=O 449769604 HENLTYVJGXETAE-GLNPCMGASA-N 274.364 1.666 0 50 CDAA CCOC[C@H]1CCCN1S(=O)(=O)NCc1ccccc1 72143734 LWEMLOFCMWNFHA-CQSZACIVSA-N 298.408 1.522 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cn[nH]c2)c1 282351629 FFEGHQKLTAZNON-JSGCOSHPSA-N 287.319 1.366 0 50 CDAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCNCC3)cc2)n1 159346149 LQUWDFYGJHDPFN-UHFFFAOYSA-N 298.390 1.594 0 50 CDAA C[C@H]1CCCN1c1ccc(S(=O)(=O)NCC2CC2)cn1 172812098 HWXMARCBXUYHAX-NSHDSACASA-N 295.408 1.759 0 50 CDAA CCCN(CC1CC1)C(=O)c1cnc(C(=O)O)cn1 263290871 QZOCVOXUKSPIKM-UHFFFAOYSA-N 263.297 1.437 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2nccc(C)n2)C1 284542862 NFNUYDIKAHAKJK-STQMWFEESA-N 290.367 1.001 0 50 CDAA COCCN1C[C@H](Cc2ccc3c(cnn3C)c2)CC1=O 223074552 DPPFMYRGYMUBRO-CYBMUJFWSA-N 287.363 1.611 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1c1ccc2ccccc2n1 284654348 VOVMVGQUNGPBQL-PWSUYJOCSA-N 259.284 1.637 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)c1c(Cl)c(C)nn1C 426652166 XVWUXFYXBVUHRS-MRVPVSSYSA-N 296.762 1.484 0 50 CDAA O=C(c1ccc2[nH]nnc2c1)N1CCO[C@H](c2ccco2)C1 176724799 AWWADADSLNJXHZ-AWEZNQCLSA-N 298.302 1.765 0 50 CDAA COc1ccccc1C1(CNC(=O)[C@@H](C)C(=O)O)CC1 263538160 AUWNHCIIBHYFDO-SNVBAGLBSA-N 277.320 1.564 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2ccc3nc(C4CC4)oc3c2)N1 175120040 HIWREBBXFWLTLI-NSHDSACASA-N 285.303 1.922 0 50 CDAA O=C(NCc1ccon1)[C@H]1COc2ccccc2C1 81063037 XHBXNRZXNCXCHV-LLVKDONJSA-N 258.277 1.542 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CC(=O)N(CCC(C)C)C2)no1 40455978 OUTIHWUUZISVMX-LLVKDONJSA-N 279.340 1.816 0 50 CDAA O=C(O)CNC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 426496684 MMYBEGAGAGSPJI-JTQLQIEISA-N 282.727 1.924 0 50 CDAA Cc1cc(N2CCCC[C@@H]2c2cc[nH]n2)n2ncnc2n1 288892612 HQSBFSAINVGQCZ-GFCCVEGCSA-N 283.339 1.887 0 50 CDAA CC[C@H]1CN(C(=O)c2cc(OC)cc(C(=O)O)c2)CCO1 426518913 DSYIVUCWEAQVER-LBPRGKRZSA-N 293.319 1.644 0 50 CDAA COCCOc1ccc(-c2n[nH]c3ncnc(N)c23)cc1 426528100 VJTQNPGDWUIFOV-UHFFFAOYSA-N 285.307 1.627 0 50 CDAA O=C([C@@H]1CCOC1)N1CC(OCCCc2ccccc2)C1 267380119 ZSLSYOZJRWFSCR-OAHLLOKOSA-N 289.375 1.883 0 50 CDAA Cc1nc2ccc(CC(=O)NC(C)(C)C(=O)O)cc2[nH]1 426530699 YZZXLUHAEUXISW-UHFFFAOYSA-N 275.308 1.393 0 50 CDAA Cc1cc(CNC(=O)c2cn3cccc(C)c3n2)n(C)n1 97681719 GIRYDNBKCLRACZ-UHFFFAOYSA-N 283.335 1.615 0 50 CDAA Cc1cc(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)n[nH]1 95368051 QNODTMNRNICEBU-AWEZNQCLSA-N 290.342 1.776 0 50 CDAA CCn1ccnc1C1CCN(C(=O)[C@H]2CCCO2)CC1 91320835 KWJLNQRTIIPCQM-CYBMUJFWSA-N 277.368 1.788 0 50 CDAA Cc1cnn(C2CCCC2)c1NC(=O)N1CCNC(=O)C1 96165576 USXIDGFDPIWXST-UHFFFAOYSA-N 291.355 1.270 0 50 CDAA OCc1nc([C@@H]2CCOC2)nn1C1Cc2ccccc2C1 97324015 YKUVGVWHFRUXDD-CYBMUJFWSA-N 285.347 1.614 0 50 CDAA C[C@H]1CN(C)CCN1C(=O)[C@H](c1ccccc1)n1cccn1 336120631 LTUKUIHQOKFHRP-HOCLYGCPSA-N 298.390 1.635 0 50 CDAA CCC(CC)(CN)C(=O)NC[C@H](O)c1ccccc1C 236680003 HLBBJSFCSZBAGT-AWEZNQCLSA-N 278.396 1.910 0 50 CDAA C[C@@H](NC(=O)c1cccc2nccnc12)c1nncn1C 348709490 BPLYIKGTWNOADC-SECBINFHSA-N 282.307 1.249 0 50 CDAA CC(=O)OC[C@H]1[C@H]2[C@H]3[C@@H]4[C@@H]3[C@@H]3[C@@H]([C@H]4[C@H]1COC(C)=O)[C@H]23 253488333 AHCRTLMRMORPHT-KNDOPXDZSA-N 276.332 1.343 0 50 CDAA CCc1ncc(NC(=O)N2CC(O)(CC)C2)cn1 297766629 VGXXEHUZMNJOID-UHFFFAOYSA-N 250.302 1.028 0 50 CDAA CN1CCC(N(C)C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 298269613 CRTLHCIYNAPTIT-UHFFFAOYSA-N 288.351 1.022 0 50 CDAA Cc1cnc(C(C)(C)NCC(=O)NC2CCOCC2)s1 183964813 GZMGOMIBZWINCB-UHFFFAOYSA-N 297.424 1.571 0 50 CDAA Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](N)C[C@H]1C 299741242 FAZFPQGOZSKRCP-YPMHNXCESA-N 293.392 1.367 0 50 CDAA Cc1cccc(-c2[nH]ncc2CN2CCO[C@H]3CNC[C@H]32)c1 299745530 ZZVAVAGQICQOJO-CVEARBPZSA-N 298.390 1.558 0 50 CDAA CCN(C)C(C)(C)CNC(=O)N(C)Cc1nccn1CC 534633481 PNIBRXUOVMTASN-UHFFFAOYSA-N 295.431 1.775 0 50 CDAA CN(C)[C@H]1[C@@H]2CN(C(=O)c3c[nH]cc3-c3cnn(C)c3)C[C@@H]21 627655011 XRRNZOLATVWMNB-FICVDOATSA-N 299.378 1.047 0 50 CDAA COc1ccc2[nH]c(CNC(=O)NCC(=O)O)cc2c1 824758509 IWVOLPAIFDRIAE-UHFFFAOYSA-N 277.280 1.060 0 50 CDAA COC(=O)[C@@H]1CCN1c1ccc(C(=O)O)c2ncccc12 725345312 MLZFZOMVYNJHLK-LBPRGKRZSA-N 286.287 1.685 0 50 CDAA CN(Cc1cc(-c2ccccn2)no1)[C@@H]1CCOC1 823671482 YWKRWXKLQVWECP-LLVKDONJSA-N 259.309 1.957 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ncoc1C(C)C 584898122 KNZAYJOJJGNOEE-RYUDHWBXSA-N 295.383 1.635 0 50 CDAA CC[C@@]1(O)CCCN(C(=O)Cc2cc(C)ccn2)C1 584888486 RGWHSXQNZAKKEJ-OAHLLOKOSA-N 262.353 1.696 0 50 CDAA Cc1nccn1CC(=O)N1CCC(Cn2ccnc2)CC1 584900903 MMVMHPPROOKXKL-UHFFFAOYSA-N 287.367 1.327 0 50 CDAA COc1nc(NCC[C@@H]2CCCCN2C)ncc1F 670462625 RYDPQZJMIRMJNR-JTQLQIEISA-N 268.336 1.911 0 50 CDAA CC(C)C[C@@H](c1ncnn1C)n1cnc2cnccc2c1=O 584886773 YMRJSLNHVMGIBR-ZDUSSCGKSA-N 298.350 1.556 0 50 CDAA CSc1ncccc1C(=O)N[C@H](C)c1n[nH]c(C)n1 670474141 IFTZZBJCUPXEHI-SSDOTTSWSA-N 277.353 1.721 0 50 CDAA O=C(C1CC1)N1CCC[C@H](n2cnc3cnccc3c2=O)C1 670444619 SFUKAQHQDZGEKU-LBPRGKRZSA-N 298.346 1.365 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H](N)C2CC2)C1 958528667 YNRQQSMQLYYSCJ-SMDDNHRTSA-N 270.373 1.486 0 50 CDAA O=C(Cn1cccn1)NC[C@H]1CCCN(c2ccncc2)C1 952972371 GNXKMXDHCKJIHF-CQSZACIVSA-N 299.378 1.311 0 50 CDAA CC(C)(C)c1nsc(NC(=O)NC[C@@H]2CNC(=O)C2)n1 1434706190 FEPZLMWGGQRJFR-ZETCQYMHSA-N 297.384 1.093 0 50 CDAA CCCc1cncnc1N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(C)=O 1565510232 ALNOZCGYLZZNIW-CRWXNKLISA-N 290.367 1.133 0 50 CDAA COC[C@H](N)C(=O)Nc1ccccc1N1CCCC1 167776375 HQCKRAQXHDQCMQ-NSHDSACASA-N 263.341 1.199 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cnn(C)c1 277056249 JBOMZRMUBXULME-STQMWFEESA-N 265.357 1.584 0 50 CDAA Cn1cc(NC(=O)C(F)(F)C2(O)CCCC2)ccc1=O 278507416 AEVHFLTTXZGOPD-UHFFFAOYSA-N 286.278 1.264 0 50 CDAA Cc1csc([C@@H]2COCCN2Cc2ccnn2C)n1 170602055 LTFKWTLHAHKLAU-LBPRGKRZSA-N 278.381 1.759 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2COC[C@H]2c2ccccc2)C[C@H]1CN 638905237 RCXOSJPWTRDWDB-DMRZNYOFSA-N 288.391 1.470 0 50 CDAA Cc1nn(C(C)(C)C)c(=O)n1CCO[C@H]1CCCCO1 192841136 XELWJAWNYCWCHP-LBPRGKRZSA-N 283.372 1.651 0 50 CDAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(Cl)nc2)CC1=O 195531135 GZWAJQQZTORBPE-DVVUODLYSA-N 293.754 1.474 0 50 CDAA CCNC(=O)OC[C@H]1CCCCN1Cc1c[nH]nc1C 585084504 JINLMYDIWWUTQS-CYBMUJFWSA-N 280.372 1.819 0 50 CDAA CC(C)[C@]1(c2nc(-c3cncs3)no2)CNC(=O)C1 1614997934 OKCFFIBJBFXLPT-GFCCVEGCSA-N 278.337 1.607 0 50 CDAA CCn1cc(Cl)c(NC(=O)[C@]23CNC[C@H]2CCOC3)n1 1615548356 RXELKSJJWIBSMY-RNCFNFMXSA-N 298.774 1.121 0 50 CDAA C=CC(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1875369755 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CCc1cc(O)ccc1-c1c(C)nn(-c2nn[nH]n2)c1C 1772704895 QPQPWPFNUQMJOL-UHFFFAOYSA-N 284.323 1.937 0 50 CDAA COc1ccc([C@@H](C)NC(=O)CCC(=O)O)cc1 11847630 JWJSRMMNVNQSKS-SECBINFHSA-N 251.282 1.737 0 50 CDAA Cc1cccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 15417141 SQDGFPZCJAFPKX-UHFFFAOYSA-N 290.344 1.895 0 50 CDAA CC(C)NC(=O)CNC(=O)c1ccc(-c2cnccn2)cc1 152002529 LHQZYWOJHIMHIB-UHFFFAOYSA-N 298.346 1.398 0 50 CDAA OC(c1ccccc1)(c1ccccc1)[C@H]1COCCN1 208712064 QQBDEMRGJODHIJ-MRXNPFEDSA-N 269.344 1.911 0 50 CDAA C[C@@H]1C[C@@H]2C[C@H]2C[C@H]1C(=O)N=c1ccn(CCC(=O)O)[nH]1 1857527850 HJVXBAMWIJITMF-WISYIIOYSA-N 291.351 1.400 0 50 CDAA CCN1C[C@@H](C(=O)NCC=Cc2ccccc2)CC1=O 1857529818 ZUBYCARHYZMHOH-AWEZNQCLSA-N 272.348 1.684 0 50 CDAA N=c1[nH]nc(N2CCC3(CC2)CNc2ccccc23)s1 1857676158 PHENPWPFDLYUAH-UHFFFAOYSA-N 287.392 1.914 0 50 CDAA Cc1[nH]nc2c1CN(C(=O)c1ccn3nccc3c1)CC2 1857733473 LUOSMZWWDKWNMV-UHFFFAOYSA-N 281.319 1.564 0 50 CDAA C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCCn2nccc21 636377864 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CCOc1cc(N2CCC(Cn3ccnn3)CC2)ncn1 136062132 QYNCPEMDCZNGMF-UHFFFAOYSA-N 288.355 1.383 0 50 CDAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1c1ncccc1F 359308784 ZLVKFAUREUYGGX-RAIGVLPGSA-N 266.316 1.587 0 50 CDAA O=C(NCc1ccccn1)[C@H]1NCCOc2ccccc21 911645845 HQHYYIXJEVBDEQ-HNNXBMFYSA-N 283.331 1.421 0 50 CDAA c1cncc([C@H]2CNCCN2Cc2n[nH]c3c2COCC3)c1 903746370 GJJUZHBSZIHXMU-MRXNPFEDSA-N 299.378 1.024 0 50 CDAA CCOC[C@@H](NCc1nnc2n1CCCC2)C(C)C 233738257 HJPBZUMYQQUWSG-GFCCVEGCSA-N 266.389 1.765 0 50 CDAA Cc1nc(C(C)C)oc1C(=O)NC1CN(CC2CC2)C1 1031073757 JVYCXDZRGUSHLN-UHFFFAOYSA-N 277.368 1.930 0 50 CDAA CNC(=O)CN1CCC(N[C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 924642386 ACIUVMIEEPSLFG-GZBFAFLISA-N 277.412 1.141 0 50 CDAA CC(C(=O)N1CC(O)(c2nccn2C)C1)=C1CCCC1 1261888507 SEPUYKZGOAPVQR-UHFFFAOYSA-N 275.352 1.340 0 50 CDAA C=CC(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 1262555764 HRIBFBAPNUXMJW-WDEREUQCSA-N 258.321 1.655 0 50 CDAA C[C@H]1CCN(c2cc(N)ncn2)C[C@H]1n1ccnc1 1120824058 HMZNHAWBTSWGNS-WDEREUQCSA-N 258.329 1.343 0 50 CDAA O=C(NCC1CC1)c1cc2cc(F)ccc2[nH]c1=O 1136029896 ODUYWGFJAUAXAS-UHFFFAOYSA-N 260.268 1.807 0 50 CDAA CN(Cc1cccc2ccnn12)C1CCS(=O)(=O)CC1 1138807278 BVFGRNJFDRPABB-UHFFFAOYSA-N 293.392 1.343 0 50 CDAA Cc1cc(CN(C)c2nc3cnccc3n2C)no1 865437085 YSGLEQCMLLCWAZ-UHFFFAOYSA-N 257.297 1.901 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)C1=C[S@@](=O)CCC1 1875296679 ILJGKOOOYMRIKI-SFHVURJKSA-N 283.378 1.202 0 50 CDAA Cc1cc(C)cc(C(=O)N=c2ccn(CCC(=O)O)[nH]2)c1 1875291800 LVSKYCQTINWBMI-UHFFFAOYSA-N 287.319 1.649 0 50 CDAA CO[C@@H]1[C@H](C)[C@H](N=c2ncnc3[nH][nH]c(C)c2-3)C1(C)C 1875294621 KTVVBIGUULAMRA-PPKCKEKNSA-N 275.356 1.506 0 50 CDAA CC(C)CN(CC(C)C)C[C@@H](O)C[C@H]1CC(=O)N1 1875375790 IJEZOROFZVCKIB-STQMWFEESA-N 256.390 1.240 0 50 CDAA O=C(O)C[C@H]1CC[C@H](CNC(=O)c2c[nH]nc2F)CC1 1875325188 SSPWSGLDJAODTH-KYZUINATSA-N 283.303 1.560 0 50 CDAA COc1ccc(CN(C)C(=O)[C@@H]2C[C@H]3CNC[C@H]32)cc1F 1776007321 CPDNKSSLKRSBNO-YNEHKIRRSA-N 292.354 1.648 0 50 CDAA Cc1cccc2cnn([C@@H]3CCCS(=O)(=O)C3)c(=O)c12 899356981 YNXCBNIQWUQEOF-GFCCVEGCSA-N 292.360 1.455 0 50 CDAA CC(C)(CN1CCOCC1)NS(=O)(=O)c1ccccc1 19771176 QJKOGQOWKBAYOH-UHFFFAOYSA-N 298.408 1.076 0 50 CDAA CCS(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 20166439 GIBFXDVDPJFFTC-RMKNXTFCSA-N 294.420 1.667 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)[C@H]1CCOc2ccccc21 252209118 XSEXYPWORYSNMO-DYEKYZERSA-N 274.364 1.891 0 50 CDAA CCc1ncnc(N[C@H]2CCCC[C@H]2C(N)=O)c1F 270920442 AMQQPSJXNIHLPW-SCZZXKLOSA-N 266.320 1.634 0 50 CDAA CCOC[C@@H]1CCCN(C(=O)C2(C(=O)O)CC2)C1 154893300 OMYKAEXILJOXSA-SNVBAGLBSA-N 255.314 1.126 0 50 CDAA COCCC1(C(=O)O)CCN(C(=O)C2CC2)CC1 700478066 UWVWNYKRASXTGA-UHFFFAOYSA-N 255.314 1.126 0 50 CDAA CC(C)c1nc(=NC[C@H]2CCc3nccn3C2)s[nH]1 328619321 FSODBOSDTCINMB-SNVBAGLBSA-N 277.397 1.954 0 50 CDAA CCc1nnc(CN2C[C@H](COC)OC(C)(C)C2)n1C 330537868 QSEFCZMDDKTHCL-LLVKDONJSA-N 282.388 1.003 0 50 CDAA C[C@H]1CN(C2CC2)CCN1C(=O)Cn1nc2ccccc2n1 2100482965 JFCWURIXBDAFNQ-LBPRGKRZSA-N 299.378 1.126 0 50 CDAA Cc1c(C(=O)N=c2[nH][nH]cc2-c2cccc(F)c2)cnn1C 2100539681 TXLUTDZRPFTKCA-UHFFFAOYSA-N 299.309 1.932 0 50 CDAA O=C(Nc1nc(C2CC2)cs1)N1C[C@@H](O)[C@@H]2COC[C@@H]21 2325777673 UTPZKPSBCAFLHA-DVVUODLYSA-N 295.364 1.244 0 50 CDAA CC1(C)CC2(CCN(c3ncncc3C(=O)O)CC2)CO1 2325787315 SDMMXSNMXGKFBU-UHFFFAOYSA-N 291.351 1.960 0 50 CDAA O=C(c1cn(CCC2CC2)nn1)N1CCC[C@@]12CCOC2 2325790155 SMULFYMZVNVBDC-HNNXBMFYSA-N 290.367 1.473 0 50 CDAA O=C(O)[C@@H]1CC=CCN1Cc1cnnn1-c1ccccc1 2325790459 MXRBLGYCKZEXSN-AWEZNQCLSA-N 284.319 1.482 0 50 CDAA Cc1cnc2n1CC[C@H](NC(=O)Nc1cnn(C)c1)C2 2325810252 FEZHZBUPNONVBA-JTQLQIEISA-N 274.328 1.062 0 50 CDAA CC[C@H](C)CC(=O)C(=O)N[C@H](CCC(C)(C)C)C(N)=O 2325813778 ZHJHCYAHHLYZTK-WDEREUQCSA-N 284.400 1.788 0 50 CDAA NC(=O)[C@@H](F)C1CCN(C(=O)c2ccccc2)CC1 913119177 WICOCAPNZOZGGI-LBPRGKRZSA-N 264.300 1.362 0 50 CDAA CCOC(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 283917 XSPMKCGKDSKHIX-UHFFFAOYSA-N 286.287 1.749 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccsc1 451838 SILDBCVSLDIQPZ-SNVBAGLBSA-N 266.322 1.891 0 50 CDAA CCOC(=O)[C@@H](C)CC(C)(C(=O)OCC)C(=O)OCC 1644614 QCTIOLMTJPOZIA-JTQLQIEISA-N 288.340 1.708 0 50 CDAA Cc1ccc(CNCCSc2nnnn2C)s1 2181783 HAEDRSSMQQQNRP-UHFFFAOYSA-N 269.399 1.462 0 50 CDAA Cc1nc(=NCCN2CCCOC2=O)[nH]c(C)c1C 2356147420 VMEOIMYTGVXKFT-UHFFFAOYSA-N 264.329 1.078 0 50 CDAA CCCC(=O)Nc1nc(CC(=O)OCC)cs1 2906119 KBZNTQHUXDMNAQ-UHFFFAOYSA-N 256.327 1.987 0 50 CDAA COc1ccccc1-n1c(SC)nc(O)cc1=O 3667867 QDPVDWCLMQAXGH-UHFFFAOYSA-N 264.306 1.669 0 50 CDAA CCOC(=O)C1=CNC(=O)N[C@@H]1c1ccccc1F 6843501 BAJCSOIAZTVEKT-LLVKDONJSA-N 264.256 1.627 0 50 CDAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccccc1 55562807 REKROIXSXFHIAZ-LBPRGKRZSA-N 262.309 1.263 0 50 CDAA Cc1ccc2c(c1)nc(CNC(=O)c1ccc(C)nn1)n2C 412267936 ITWCQWJOZSIWIJ-UHFFFAOYSA-N 295.346 1.910 0 50 CDAA CCN1CCN(C[C@@H](O)COc2ccc(C)c(C)c2)CC1 21486892 XZKJGRNQGJJLJN-MRXNPFEDSA-N 292.423 1.681 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 133069008 CUYGRTDECRNCCA-ZDUSSCGKSA-N 299.378 1.400 0 50 CDAA CCN1CCCC[C@H]1CNS(=O)(=O)CC1CCCC1 178337740 BHICFHPYEBEYEQ-AWEZNQCLSA-N 288.457 1.970 0 50 CDAA C[C@H](NC(=O)N[C@H]1CCCC[C@H]1O)C(C)(C)CN(C)C 246141993 BZASLPIMKDGYFN-RWMBFGLXSA-N 285.432 1.565 0 50 CDAA Cc1c(CN(C)C(=O)CSc2ccncc2)cnn1C 67714745 QEBNTIGXEZFYNL-UHFFFAOYSA-N 290.392 1.874 0 50 CDAA NC(=O)[C@@H](N[C@@H]1CCSC1)c1ccc(F)cc1 134879480 HJEZXGPFWAXEPI-MNOVXSKESA-N 254.330 1.447 0 50 CDAA CC/C=C/CCN1CCC[C@](O)(C(=O)N2CCCC2)C1 346712082 ZINIOMDPQSOXIW-QDLOVBKTSA-N 280.412 1.792 0 50 CDAA COc1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)cn1 65374247 NVXSROWXOHWEET-LLVKDONJSA-N 272.308 1.118 0 50 CDAA Cc1ccccc1CNC(=O)CCS(C)(=O)=O 62073231 JEYVOCVOWAWRCN-UHFFFAOYSA-N 255.339 1.046 0 50 CDAA CNC(=O)[C@@H]1C[C@H](N)CN1C/C=C(\C)CCC=C(C)C 67514017 CKAHAYSOSPLMHD-DMUBJSPUSA-N 279.428 1.827 0 50 CDAA COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1OC 139013 VVYKDOVBUSRSCZ-LDYMZIIASA-N 269.322 1.492 0 50 CDAA biogenic O=C(N[C@@H]1C[C@H](O)c2cc3c(cc21)OCO3)C(F)(F)F 1399334 RSKSCGPPHLZLMQ-SFYZADRCSA-N 289.209 1.572 0 50 CDAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc(C2CC2)on1 229386134 GNRSOMQQQBALJD-YPMHNXCESA-N 275.352 1.909 0 50 CDAA CC[C@H](O)CNC(=O)c1cc(COc2ccccc2)[nH]n1 71404279 SYSXMEJMMRUVFX-LBPRGKRZSA-N 289.335 1.489 0 50 CDAA COc1ccc(C(=O)N[C@H]2[C@@H]3c4ccccc4C[C@H]32)nn1 230179865 MZOGKJAGHLFZRB-KCPJHIHWSA-N 281.315 1.553 0 50 CDAA CCn1cnnc1[C@H]1CN(Cc2ccc(C)o2)CCO1 328625195 CYCYCMJFLNMIKU-CYBMUJFWSA-N 276.340 1.773 0 50 CDAA CSCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 219608991 VFTXHCFCAYDUTB-ZIAGYGMSSA-N 295.404 1.840 0 50 CDAA Cc1sc2ncn([C@H](C)Cn3cncn3)c(=O)c2c1C 32578264 JLOQNGRDFXNLLM-MRVPVSSYSA-N 289.364 1.928 0 50 CDAA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)C(F)=C(C)C 370539169 QUXBZQKKWHFUBM-CYBMUJFWSA-N 290.338 1.949 0 50 CDAA O=C(C[C@@H]1CCOc2ccccc21)N1CCC[C@H]1CO 125168881 JGXPMCWGMKMJKE-STQMWFEESA-N 275.348 1.926 0 50 CDAA COC(=O)c1ccccc1-c1cc(C(N)=O)ccn1 32519388 STZJYJCWEBLFKB-UHFFFAOYSA-N 256.261 1.634 0 50 CDAA Cn1nnnc1CN1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O 331478785 BXZYKRILTSJVJC-YRGRVCCFSA-N 279.388 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279.384 1.591 0 50 CDAA CC1(C)CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)C1 175506061 QQMLMJLSFCCBBH-UHFFFAOYSA-N 288.413 1.253 0 50 CDAA Cc1cnc(C(=O)N(Cc2cnn(C)c2)C2CC2)cn1 223394250 HHWKIUHFUIVASB-UHFFFAOYSA-N 271.324 1.323 0 50 CDAA COCc1nc(C)c(CNC(=O)[C@H](C)n2ccnc2)s1 426359565 DOSIFJPMHXHQOP-JTQLQIEISA-N 294.380 1.672 0 50 CDAA CC(C)CN(Cc1cnn(C)c1)C(=O)[C@H](C)n1ccnc1 426699916 KITLBLHEIWTLQI-ZDUSSCGKSA-N 289.383 1.862 0 50 CDAA Cc1ccc2nc(CCNC(=O)NCCO)[nH]c2c1C 426738957 ACOKUJWOFFUXPY-UHFFFAOYSA-N 276.340 1.014 0 50 CDAA COCc1cc(C(=O)N2CCN[C@H](C)C2)ccc1F 237189928 SYKCMGZDHSTOFM-SNVBAGLBSA-N 266.316 1.406 0 50 CDAA O=C1OCCN1CCNc1nnc(C2CCC2)o1 95366847 KWKNCEGMXHWJRQ-UHFFFAOYSA-N 252.274 1.201 0 50 CDAA C[C@@H]1CCC[C@@H]1NS(=O)(=O)CC[C@H]1CCCO1 239653729 BKYCUMSKGGXISA-UTUOFQBUSA-N 261.387 1.664 0 50 CDAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H]1CCNC1 237536181 QHYBCUIODLFKTP-XOUADPBQSA-N 288.391 1.973 0 50 CDAA C[C@@H]1O[C@H](C)[C@H](C(=O)N=c2ccc3c([nH]2)OCCO3)[C@@H]1C 529515901 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333643168 XQCMDYYGUPVJHS-FQUUOJAGSA-N 282.384 1.035 0 50 CDAA CCCN1CCC[C@@H](NC(=O)c2cc(O)ccc2N)C1 822922786 WOKFICBAZRLNMT-LLVKDONJSA-N 277.368 1.579 0 50 CDAA Cc1n[nH]cc1CNC[C@@H]1CC(C(F)(F)F)=NO1 2325766958 VWWCUOVHFIDOSR-QMMMGPOBSA-N 262.235 1.515 0 50 CDAA C[C@@H](O)C(F)(F)C(=O)N[C@@](C)(C(=O)O)c1ccccc1 2325796116 USGIZPNAXKQBKT-PRHODGIISA-N 287.262 1.119 0 50 CDAA COCCN(C)C1=CC(=O)N(Cc2ccccc2)C1=O 2325825920 HVKQTXUKFMVANW-UHFFFAOYSA-N 274.320 1.018 0 50 CDAA C=CC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 2325884434 DOVSZACZRJTGAH-NSHDSACASA-N 260.341 1.854 0 50 CDAA CCOc1ccc(/C=C/C(=O)N2CC[C@H](N)C2)cc1 132457609 LRYGTBYNGZYVGT-LJLILKBBSA-N 260.337 1.658 0 50 CDAA O=C(COc1ccccc1)N1CCN(C(=O)C2CC2)CC1 266629 VPGAQLUNQCLXEP-UHFFFAOYSA-N 288.347 1.146 0 50 CDAA COc1ccc([C@H]2N[C@H](C(=O)O)CS2)c(OC)c1 295195 GXPHSEXJDZAWQX-ONGXEEELSA-N 269.322 1.492 0 50 CDAA NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 313065 LCOXJCPBJYZPIQ-UHFFFAOYSA-N 281.109 1.702 0 50 CDAA COC(=O)N[C@H](OC(C)=O)C(Cl)(Cl)Cl 2141094 JCXYWAVNXVUHES-SCSAIBSYSA-N 264.492 1.602 0 50 CDAA COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(C)cc2)CC1=O 4731726 RUTCQOYKOYXDJY-STQMWFEESA-N 290.363 1.817 0 50 CDAA O=C(c1ccc(Cl)cn1)N1CCC[C@H]2CNC[C@H]21 221444874 DCWOGCHRYORRTC-JOYOIKCWSA-N 265.744 1.559 0 50 CDAA C[C@@H]1CCCN1CC(=O)NC[C@@H](O)c1ccc(Cl)cc1 222104725 PRUTUVHMMTWGAR-BXUZGUMPSA-N 296.798 1.974 0 50 CDAA Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H](C(N)=O)C1 136109616 GEWVTBYBJBSQNT-SNVBAGLBSA-N 278.356 1.179 0 50 CDAA N=C1NC(=O)[C@H](CC(=O)Nc2ccccc2F)S1 8970599 WVHDBWSZYRRQEN-QMMMGPOBSA-N 267.285 1.321 0 50 CDAA CC(=O)N1CCC[C@@H](c2nnc(S)n2C2CC2)C1 111138207 SPOGKZBIRNULKU-SECBINFHSA-N 266.370 1.628 0 50 CDAA CCN1CCC[C@@H](CN2CCCN3CCC[C@@H]3C2)C1 20586451 XXLRJADSHBDTDM-HZPDHXFCSA-N 265.445 1.888 0 50 CDAA C[C@@H]1CN([C@@H]2CCOC2=O)C[C@@H](C)N1C(=O)OC(C)(C)C 112998200 UKRNQJAXTPYKRI-IJLUTSLNSA-N 298.383 1.632 0 50 CDAA C[C@@H](Cn1cccn1)NC(=O)CCC(=O)NC1CCCC1 55368742 PUTJAGSRZUWLOF-LBPRGKRZSA-N 292.383 1.227 0 50 CDAA CC1=C[C@H](C)[C@H](C(=O)O)[C@@H](C(=O)N2CCN(C)CC2)C1 101308496 WWKUJJPNJHOTEE-AVGNSLFASA-N 280.368 1.064 0 50 CDAA CCC[C@H](C)C(=O)N1CCn2nc(C(=O)OC)cc2C1 65386432 SAVBAVYLFFZUPG-JTQLQIEISA-N 279.340 1.448 0 50 CDAA COCC1(C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCC1 65385004 VIICTZFZGZRENL-CQSZACIVSA-N 296.411 1.126 0 50 CDAA CN1CCN(S(=O)(=O)C2CC2)[C@@H](c2ccccc2)C1 247204866 NFDVRQMAMXKUTJ-CQSZACIVSA-N 280.393 1.467 0 50 CDAA Cn1c([C@@H](O)CC(=O)O)nc2ccc(Cl)cc21 64874492 USFDHSIEECKVPR-VIFPVBQESA-N 254.673 1.735 0 50 CDAA O=S1(=O)C=C[C@@H](Cc2nc(Cc3ccccc3)n[nH]2)C1 65409458 CXMDYTJBSKXVSP-LBPRGKRZSA-N 289.360 1.496 0 50 CDAA C[C@H](NC(=O)N[C@H](C)Cn1ccnc1)[C@H]1CCCO1 252512089 MHNJDJKCXWKEKX-GRYCIOLGSA-N 266.345 1.138 0 50 CDAA Cc1cc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)no1 252504389 AMAIATCSSNBVSB-UXCLJVHYSA-N 265.313 1.512 0 50 CDAA CCOC1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 219821856 RQYZWLKAHFIOAO-AWEZNQCLSA-N 281.327 1.887 0 50 CDAA O=c1cc(I)[nH]c2c1OCCC2 77011134 NSELKNWUDPHKSS-UHFFFAOYSA-N 277.061 1.305 0 50 CDAA COC(=O)c1cc(Br)cnc1C(=O)OC 71625239 JYRYOIMMYLBBNZ-UHFFFAOYSA-N 274.070 1.417 0 50 CDAA CC(=O)c1cccc(OCC(=O)N2CCCOCC2)c1 363377724 ILMUYRZVPQDRNA-UHFFFAOYSA-N 277.320 1.517 0 50 CDAA Cc1nn(C)c2c1[C@H](c1ccc(O)cc1)CC(=O)N2 72117686 OTRLLZFSRRPZDL-NSHDSACASA-N 257.293 1.908 0 50 CDAA c1cc2nncn2nc1N1CCO[C@]2(C[C@H]3CC[C@H]2C3)C1 450501916 RWFUHPNUNRSFGF-SLEUVZQESA-N 285.351 1.520 0 50 CDAA OCc1ccc(-c2nccn2Cc2ccncn2)o1 71746746 MJUOSNVDXOULEN-UHFFFAOYSA-N 256.265 1.474 0 50 CDAA COc1nc(C)ccc1C(=O)N(C)c1ccn(C)n1 331065711 FRGSGJLQGJNLGF-UHFFFAOYSA-N 260.297 1.409 0 50 CDAA CCSc1ncc(CN2CC[C@@H](OC)C2)cn1 215211110 SLPPRUDUVFJHNA-LLVKDONJSA-N 253.371 1.809 0 50 CDAA Cc1nc2nc(C)c3c(=O)n(-c4ccncc4)ccc3n2n1 72117334 XWEDOTJUFICZFS-UHFFFAOYSA-N 292.302 1.440 0 50 CDAA CO[C@]1(C)C[C@H](N(C)C(=O)[C@H]2CC[C@H](N)C2)C1(C)C 262628370 JPXDPODOXGTKQA-JUFZMCDQSA-N 268.401 1.776 0 50 CDAA CC(C)[C@@H]1CN(c2ncccn2)CCC(=O)N1CC1CC1 71416381 DUUFGAMXSZAHQW-AWEZNQCLSA-N 288.395 1.950 0 50 CDAA Cc1nn(C)c2ncnc(N3CCCN4CCC[C@H]4C3)c12 72427816 VNNMGLIQVWTWQD-LBPRGKRZSA-N 286.383 1.346 0 50 CDAA CO[C@@H]1C[C@@H]2C[C@@H](N[C@@H]3CCc4nc(C)nn4C3)C[C@@H]2C1 333651501 ZAYHVLSXJUTHQT-SEBNEYGDSA-N 290.411 1.695 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(-c3ccoc3)n2CC1 601043500 CAXARKDRPVVSCY-SECBINFHSA-N 261.281 1.664 0 50 CDAA O=C(NCC1CCN(c2ncccn2)CC1)c1ccccn1 43976713 XMUSFAQFMFBUHR-UHFFFAOYSA-N 297.362 1.518 0 50 CDAA O=S(=O)(NCc1cocn1)c1cccc2c1OCC2 521394834 LOROLHMNFYQAQO-UHFFFAOYSA-N 280.305 1.088 0 50 CDAA c1ccc2c(c1)OC[C@H](CCNc1ncncn1)O2 222823213 WUNKKTXOXROPTB-JTQLQIEISA-N 258.281 1.514 0 50 CDAA O[C@]1(c2c[nH]nn2)CCN(Cc2cccc(Cl)c2)C1 285676009 ZNEBARVYCPIYRC-CYBMUJFWSA-N 278.743 1.552 0 50 CDAA Cc1nc2c(C(=O)N[C@@H]3C=C[C@H](CO)C3)cccc2[nH]1 284561137 YIJDVTBGSQUZDM-WDEREUQCSA-N 271.320 1.538 0 50 CDAA CCO[C@@H](C)C(=O)N(C)Cc1cc(C2CC2)on1 426489622 KHUQKDUUHXXQSI-VIFPVBQESA-N 252.314 1.935 0 50 CDAA Cc1nnc(CNC(=O)C[C@@H]2CCCCN2C)s1 426593545 CPFTUQWHFKPAOS-JTQLQIEISA-N 268.386 1.337 0 50 CDAA CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2OC(=O)C[C@@H]21 43772487 UMDQPEMZJHAFNL-WSSFHLEXSA-N 268.353 1.796 0 50 CDAA in-vitro Cc1nnc(N2C[C@@H](O)C[C@H]2c2cccc(F)c2)o1 285235706 YIZOBNHUAFYCEG-RYUDHWBXSA-N 263.272 1.829 0 50 CDAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(C)cc1F 220075047 RYRMURLLNAFTPC-CYBMUJFWSA-N 278.327 1.827 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 178268122 IIJRJRUJKOFPBF-VIFPVBQESA-N 285.702 1.955 0 50 CDAA COc1ccccc1CN(C)C(=O)C1(OC)CCNCC1 178326038 JHBLJEPCSFYPNJ-UHFFFAOYSA-N 292.379 1.422 0 50 CDAA O=C(O)c1cccc(CN2CCN3CCC[C@@H]3C2)c1 94461816 KKBXERGXWWKTHK-CQSZACIVSA-N 260.337 1.665 0 50 CDAA C[C@]1(c2ccccc2)CCCN(C(=O)CNC(N)=O)C1 91782190 YNGKSHRYQXFRAE-HNNXBMFYSA-N 275.352 1.235 0 50 CDAA COCCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)N(C)C 426529265 KHXFDYGUWOSJEX-CYBMUJFWSA-N 294.395 1.620 0 50 CDAA COc1c[nH]c(C(=O)N2CCC[C@H]2c2ccco2)cc1=O 97425713 HZJRTXZNOCOZNX-NSHDSACASA-N 288.303 1.954 0 50 CDAA Cc1ncsc1C(=O)N[C@@H](CO)CN1CCCCC1 288644406 XQOYYPFFSHVJHP-LLVKDONJSA-N 283.397 1.028 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1CC[C@@H](CN)C1 178531762 ANTDQFRNYKKBEN-NSHDSACASA-N 262.357 1.323 0 50 CDAA O=C1CCC2(CCNCC2)CN1CCCc1ncc[nH]1 91644516 OBFDVOIKJQDJIP-UHFFFAOYSA-N 276.384 1.335 0 50 CDAA Cc1cc(CNC(=O)[C@H]2COc3ccccc3C2)n[nH]1 95527494 RNPYKDLWKVYQLW-GFCCVEGCSA-N 271.320 1.586 0 50 CDAA Cc1ccc2[nH]c(CN[C@@H](C)Cn3cncn3)cc(=O)c2c1 91713677 VDNZDMXNMRLIFN-LBPRGKRZSA-N 297.362 1.606 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3C[C@H](C4CC4)[C@@H](N)C3)c2c1 91390817 UWQFNAKZGWQKTE-OLZOCXBDSA-N 284.363 1.681 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1CCCOc1ccc(F)cc1)N2 95507933 UGMSREIVDNJLLT-KGLIPLIRSA-N 292.354 1.948 0 50 CDAA CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1N 242723162 YEYSBCNSUKMFHS-UHFFFAOYSA-N 254.233 1.659 0 50 CDAA CC(C)c1nn(C)cc1-c1noc(C2(C)COC2)n1 293086934 RVIZUSXWRGBZCX-UHFFFAOYSA-N 262.313 1.881 0 50 CDAA Cc1ccnc(-c2noc(Cn3nc(C)sc3=O)n2)c1 295297469 JUFUVUFWIAOLBW-UHFFFAOYSA-N 289.320 1.415 0 50 CDAA COC(=O)c1cn(-c2ccc(F)cc2)cc2c(=O)[nH]nc1-2 252507379 WJNXHLGSFRVPMA-UHFFFAOYSA-N 287.250 1.591 0 50 CDAA CC(=O)N[C@@H](Cc1ccc(-c2cn[nH]c2)cc1)C(=O)O 534657506 AOCQOCJWKVBMCU-ZDUSSCGKSA-N 273.292 1.209 0 50 CDAA NC(=O)[C@@H](O)C1CCN(CCc2ccc(F)c(F)c2)CC1 299753093 WUXMWLNYTNBMTL-AWEZNQCLSA-N 298.333 1.066 0 50 CDAA CCc1nc(C)c(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)s1 534649953 ZJTXKKKWUUZYNU-NXEZZACHSA-N 293.392 1.564 0 50 CDAA CN(C)CCNC(=O)Nc1cc(-c2ccccc2)nn1C 299779030 SAJGKHLZVRRUHZ-UHFFFAOYSA-N 287.367 1.770 0 50 CDAA CCN1CCN(C(=O)Nc2cccn3nc(C)nc23)CC1 299786564 VHZVVCRJTWISNY-UHFFFAOYSA-N 288.355 1.207 0 50 CDAA COCC1(Cn2cnc3ncccc3c2=O)CCC1 584903668 PCYCVGIDOFREKV-UHFFFAOYSA-N 259.309 1.608 0 50 CDAA CC(C)O[C@H]1CN(Cc2ccc(Cl)o2)C[C@@H]1O 584899745 IYUHIEPHEUUFIJ-QWRGUYRKSA-N 259.733 1.903 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)c1csc(=N)[nH]1 584896387 ZMJJJHICCBJMLW-UHFFFAOYSA-N 282.413 1.502 0 50 CDAA C[C@]1(O)C[C@@H](NC[C@H](O)c2c(F)cccc2F)C1 1346312857 MWZZFRIXTXKYFZ-LJUAHTATSA-N 257.280 1.501 0 50 CDAA CN(CCCN1CCCCCC1)C(=O)[C@H]1C=CCN1 952974574 JSPIVFGXXNMDEJ-CQSZACIVSA-N 265.401 1.239 0 50 CDAA CC(=O)c1cc(CNCCN2CCCC[C@@H]2CO)n(C)c1 952962458 BSFBBUBMRSGZIG-OAHLLOKOSA-N 293.411 1.164 0 50 CDAA CCNC(=O)c1ccnc(C[C@@H]2CC[C@H](CN(C)C)O2)c1 952854566 XEEVHJVPUCJUQA-LSDHHAIUSA-N 291.395 1.483 0 50 CDAA COc1ccc([C@H]2CCN(c3ccc(C(N)=O)nn3)C2)cc1 301364822 RRKNDGCLFLMMJM-LBPRGKRZSA-N 298.346 1.578 0 50 CDAA C[C@@](O)(CN[C@H](Cc1ccccc1)C(=O)O)C(F)(F)F 1589148529 VQEIQAQYNQJVCG-ZYHUDNBSSA-N 291.269 1.585 0 50 CDAA Cc1cc(C)n([C@H](C)CC(=O)N2C[C@H](O)C[C@H]2C)n1 408295802 XAICXFUGTBBZHC-RAIGVLPGSA-N 265.357 1.433 0 50 CDAA Cn1cncc1C(=O)N[C@H](CC(=O)O)c1cccs1 630102419 SBPCRUGGWZLYQL-MRVPVSSYSA-N 279.321 1.427 0 50 CDAA FC1(F)CCC[C@H]1NCc1cn(C[C@@H]2CCOC2)nn1 631135784 DMDBOHXYVKVHSM-CMPLNLGQSA-N 286.326 1.592 0 50 CDAA Cc1csc(CN(C)C2(CO)CCOCC2)n1 170612021 DPSOZSBIMLDIEC-UHFFFAOYSA-N 256.371 1.425 0 50 CDAA CN(C)c1ccc(C(=O)OCc2ccc[n+]([O-])c2)c(F)c1 170609331 AAVRGQPNNRYCDN-UHFFFAOYSA-N 290.294 1.882 0 50 CDAA CC(C)C[C@H](CNC(=O)[C@]1(C(=O)O)CC1(C)C)CC(=O)O 585095647 UDCQINYZECWDMZ-BONVTDFDSA-N 299.367 1.741 0 50 CDAA CN(C)C[C@H]1CCN(C(=O)Nc2ccncc2F)C1 187751552 YTORJNXFFYAYFX-SNVBAGLBSA-N 266.320 1.636 0 50 CDAA CCCC[C@@H](NC(=O)c1cnc2cccnn12)C(=O)O 585134689 GMWQBOJPYVOWAG-SECBINFHSA-N 276.296 1.103 0 50 CDAA O=C(N[C@H]1CCOc2c(F)cccc21)[C@@H]1CCCO1 189019520 UQFOOLGPOMCBNA-RYUDHWBXSA-N 265.284 1.945 0 50 CDAA CC(C)=CCNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 189178681 XXQNMGUCSFJIQW-VIFPVBQESA-N 293.289 1.415 0 50 CDAA C[C@@H](N[C@H](C)c1nnnn1C)c1ccc(F)c(F)c1 189737888 RFGCSNSPEXQHAX-HTQZYQBOSA-N 267.283 1.900 0 50 CDAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C1(SC)CC1)CC2 190485412 KAKIRUFHYPQDAU-NWDGAFQWSA-N 299.436 1.661 0 50 CDAA C[C@@H](c1ccccn1)N(C)C(=O)c1cncnc1N 192340117 FYYSHJAEYVFPSE-VIFPVBQESA-N 257.297 1.287 0 50 CDAA O=C(NCCc1cccnc1)c1ccn(CC(F)F)n1 193762742 HAOSQUUWJNEWAR-UHFFFAOYSA-N 280.278 1.516 0 50 CDAA CCC(CC)(CNC(=O)[C@@H]1CCCO[C@H]1C)C(=O)O 668280271 RXLWTEORUSLSHF-WDEREUQCSA-N 271.357 1.809 0 50 CDAA Cc1ccc(S(=O)(=O)n2ccc3c(N)ncnc32)cc1 1153671179 OIQONGZISGHCTC-UHFFFAOYSA-N 288.332 1.559 0 50 CDAA Fc1cccc(CCn2nnnc2N2CCCOCC2)c1 1616033619 RHMNNYOUIDFHMU-UHFFFAOYSA-N 291.330 1.282 0 50 CDAA CCc1cnc(N)nc1NCC(C)(C)N1CCCC1 1772701496 QJYKSDYFGNWQCE-UHFFFAOYSA-N 263.389 1.908 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1nnc(C2CC2)n1C1CC1 1649758745 KMHRYUPVJUUIMP-SNVBAGLBSA-N 290.367 1.533 0 50 CDAA CN1CCC(Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 1875257402 NQBAUBWQEDTMON-UHFFFAOYSA-N 274.368 1.383 0 50 CDAA Nc1cccc(C(=O)N2CCC[C@@H](CCCO)C2)n1 220446995 CXQJGMJKABRZKY-NSHDSACASA-N 263.341 1.289 0 50 CDAA CCn1nc(-c2ccc3c(c2)CN(C)C3=O)nc1N(C)C 1875249348 WPFXKUQNMFNVSP-UHFFFAOYSA-N 285.351 1.617 0 50 CDAA CC(C)[C@@]1(O)CN(c2nc(N(C)C)ns2)C[C@@H]1C 213355247 BNSAXBMJIJWPPC-CABZTGNLSA-N 270.402 1.447 0 50 CDAA CCOC(=O)C1(C(=O)N2CCC(F)(F)C2)CCOCC1 408079521 NRWPWUDMXPZUQV-UHFFFAOYSA-N 291.294 1.214 0 50 CDAA COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC 2391876 QNSPKWUAZQIIGZ-QMMMGPOBSA-N 275.301 1.006 0 50 CDAA in-vitro C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)C[C@@H](C)O1 2651909 ZHDKFRBHCZXAJB-NXEZZACHSA-N 270.354 1.067 0 50 CDAA in-vitro Cc1ccc(Br)cc1S(N)(=O)=O 3330792 FXNSWDXUWUJLLI-UHFFFAOYSA-N 250.117 1.405 0 50 CDAA in-vitro Cn1nnc2cc(-n3ccnc3[C@@H]3CCCNC3)ccc21 1800411562 LEZLWDPGPUIBCW-LLVKDONJSA-N 282.351 1.621 0 50 CDAA COc1cc(C(=O)N2CC[C@H](C(=O)O)C2)ccc1Cl 262927434 JPESSOYOISNJAR-VIFPVBQESA-N 283.711 1.895 0 50 CDAA CC[C@]12C[C@@H]1CN(c1nnnn1-c1ccccc1)C2 1772817721 VRRDEMUJJGOBDI-BXUZGUMPSA-N 255.325 1.899 0 50 CDAA COc1nc(N2CCC[C@@H](c3n[nH]c(C)n3)C2)ncc1F 1772711818 GETMIMZMGCDAHY-SECBINFHSA-N 292.318 1.435 0 50 CDAA Cc1cc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)nc(N(C)C)n1 1775984019 XVMRGKWPNSPZPU-ZSBIGDGJSA-N 262.357 1.058 0 50 CDAA C[C@]12C[C@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1772804598 BSSCSIMBKZYGAA-SWLSCSKDSA-N 293.388 1.719 0 50 CDAA CC[C@@H](C(N)=O)N(c1ccc(C)cc1)S(C)(=O)=O 13712911 BBJIEEQWVPHHJG-NSHDSACASA-N 270.354 1.025 0 50 CDAA CS(=O)(=O)N(CC(=O)O)c1cccc(Cl)c1Cl 5676541 HIRPWDSCERLDSO-UHFFFAOYSA-N 298.147 1.844 0 50 CDAA CN(C)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1 12302515 VCFAHGVJAWCZHZ-UHFFFAOYSA-N 299.440 1.929 0 50 CDAA COCCC(=O)N1CCO[C@H](Cc2cccc(OC)c2)C1 12431301 TXLALMLKJNPPPV-OAHLLOKOSA-N 293.363 1.502 0 50 CDAA Cc1ccc(C(=O)NCC(=O)N2CCC(C)CC2)cc1 15734898 QCWSTHHTBUESEO-UHFFFAOYSA-N 274.364 1.983 0 50 CDAA CC[C@H](C)NS(=O)(=O)c1csc(C(=O)O)c1 16622572 KCBZUVACBZQYIQ-LURJTMIESA-N 263.340 1.523 0 50 CDAA C[C@@H]1CN(CN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 19818405 YPRUCGBHEMKYKZ-GHMZBOCLSA-N 274.320 1.349 0 50 CDAA O=c1oc2ccc(Cl)cc2n1CN1CCOCC1 19939875 HUXKPGMUERDTKR-UHFFFAOYSA-N 268.700 1.538 0 50 CDAA CN(C[C@@H]1CCCO1)c1cc(C(N)=O)c2ccccc2n1 1857674994 GYLSSFCWUHQJTA-NSHDSACASA-N 285.347 1.949 0 50 CDAA Cc1nc(-c2cc(C3CC3)n(C)n2)n(CCc2cnc[nH]2)n1 1857679605 YYACFPNVEYSLKZ-UHFFFAOYSA-N 297.366 1.830 0 50 CDAA NCC(F)(F)CNc1ncc(Br)cn1 164935854 FHUZOSIKUXCIKX-UHFFFAOYSA-N 267.077 1.245 0 50 CDAA CC(C)n1ncc(=NC(=O)c2cccc(-n3cccn3)c2)[nH]1 1875246462 IHPUUKWBOYSZNI-UHFFFAOYSA-N 296.334 1.719 0 50 CDAA Cc1nc(COc2ccc(NC(=O)C3(N)CC3)cc2)no1 237756499 BURARWYEBZARFT-UHFFFAOYSA-N 288.307 1.387 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)COCCc2ccccc2)C1 237957152 FMYWETMOOSRPIA-ZDUSSCGKSA-N 277.320 1.179 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc4c(c3)CCNCC4)C[C@@H]21 353745546 XWYHTXYRNMGFMC-IXDOHACOSA-N 299.418 1.184 0 50 CDAA CCc1ccc(OC[C@H](O)CN2CCOCC2)cc1 19338666 PYXAJMVKVJIBPQ-CQSZACIVSA-N 265.353 1.321 0 50 CDAA CN(C[C@H](O)C1CC1)C(=O)Nc1cnn(C)c1C(F)F 677629690 LTFOWARKDJFBMJ-VIFPVBQESA-N 288.298 1.592 0 50 CDAA Cn1nccc1CCC(=O)Nc1cccc(CC(=O)O)c1 263019911 XXKNMLOVNMOYSK-UHFFFAOYSA-N 287.319 1.619 0 50 CDAA Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc(C(=O)O)c1 263348115 UTBXRUIWVUEDAG-VIFPVBQESA-N 287.319 1.918 0 50 CDAA O=C(O)[C@H]1CCN(c2nc(C3CC3)nc3[nH]ccc23)C1 900935797 UVYYBCAVUCMHRS-VIFPVBQESA-N 272.308 1.746 0 50 CDAA CN(CCO)Cc1nc(-c2cccc(Cl)c2)no1 11483935 XAICMFVXKVDHFJ-UHFFFAOYSA-N 267.716 1.814 0 50 CDAA Cc1nc(O)nc(O)c1NC(=O)C[C@@H]1CCCC1(F)F 934364058 QNEDGFDNEAPULW-ZETCQYMHSA-N 287.266 1.960 0 50 CDAA COc1ccccc1CCNC(=O)C[C@@H]1CCNC1 127800766 QRGGWZCUPAYKCJ-LBPRGKRZSA-N 262.353 1.354 0 50 CDAA COc1ccc(-c2noc(CN(C)S(C)(=O)=O)n2)cc1 10537228 AXXRHGUFMMROSF-UHFFFAOYSA-N 297.336 1.137 0 50 CDAA COC1(c2noc(C34CCN(CC3)C4)n2)CCCC1 952883136 RFMBQUYKAKFDSG-UHFFFAOYSA-N 263.341 1.833 0 50 CDAA O=C(O)C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCO1 1875277491 NXYWLZVDZCVJGN-KBPBESRZSA-N 291.347 1.758 0 50 CDAA O=C(CCc1cscn1)N1CC(O)(C(F)(F)F)C1 1875295320 GBOHSJKNLOCDEM-UHFFFAOYSA-N 280.271 1.211 0 50 CDAA Cc1nccn1-c1ccc([C@@H](C)NC(=O)C2(O)CC2)cc1 1875293121 CTWVZOIPXIIXSC-LLVKDONJSA-N 285.347 1.883 0 50 CDAA Cn1nc(CC(=O)Nc2nccc(O)n2)c2ccccc21 1875333237 JYPLTMWUFPAUIT-UHFFFAOYSA-N 283.291 1.250 0 50 CDAA COc1ccc(OC[C@@H]2C[N@]2CC2CC2)c(C(N)=O)c1 1875381150 LMZWPWIMLWICAE-GTNSWQLSSA-N 276.336 1.267 0 50 CDAA COCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1 33763910 FRZMHBOBLCYKEX-GFCCVEGCSA-N 251.326 1.915 0 50 CDAA Cc1cnc(CN[C@H]2CCO[C@@H]2c2cn(C)nc2C)nc1 886072094 PCTSBCBWYLLEDY-DZGCQCFKSA-N 287.367 1.447 0 50 CDAA Cc1ccc(-c2noc(CN3CCCC[C@@H](N)C3=O)n2)o1 888078481 VJNBLKVESDAUIT-SNVBAGLBSA-N 290.323 1.478 0 50 CDAA CCC(=O)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1 1775986665 BDRIFLMFZLDPJQ-UHFFFAOYSA-N 285.351 1.530 0 50 CDAA C[C@H]1CCC[C@@H](N2CCN(CCOCCO)CC2)C1 19635959 HZSLFDRTPGGPNO-LSDHHAIUSA-N 270.417 1.192 0 50 CDAA Cc1cc(NC(=O)CCN2C[C@@H](C)OC[C@H]2C)no1 252467549 RFOITDNBAIVICP-MWLCHTKSSA-N 267.329 1.421 0 50 CDAA O=C(O)C1(C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 154799046 OJOKYMINCJOWGX-UHFFFAOYSA-N 299.330 1.412 0 50 CDAA CCc1ccnc(C(=O)N(CC(=O)O)C(C)C)c1 263424841 LYFQXVVENARZIZ-UHFFFAOYSA-N 250.298 1.579 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1 263479226 AGMSYSPQCMBWIG-ZDUSSCGKSA-N 275.304 1.636 0 50 CDAA Cc1csc(=O)n1CCN1CC[C@@H](N2CCCC2)C1 170739184 VEXNQEJVTWJDBR-CYBMUJFWSA-N 281.425 1.388 0 50 CDAA Cc1cc(NCCSc2nccn2C)nc(N)n1 45724720 VBJYZEXRJMFXAW-UHFFFAOYSA-N 264.358 1.305 0 50 CDAA C[C@@H]1CCCN(C(=O)C2CCSCC2)[C@@H]1CN 299739875 SOXPZDJAUARDJX-ZYHUDNBSSA-N 256.415 1.715 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)CC[C@H]1CCCO1 643849979 IWSKDSHNSBDGPU-RISCZKNCSA-N 285.340 1.038 0 50 CDAA CN(C)CC1(O)CCN(CC[C@H]2CC2(F)F)CC1 710580187 KHGFMBFVODFVDO-NSHDSACASA-N 262.344 1.420 0 50 CDAA O[C@@H]1CN(Cc2nc3c(s2)CCCC3)C[C@H]1F 952971862 QXNIBCKEKKLRIU-PSASIEDQSA-N 256.346 1.537 0 50 CDAA CCNS(=O)(=O)c1ccc(OC)c2ncccc12 111524 KZTMBEQDOUSILV-UHFFFAOYSA-N 266.322 1.542 0 50 CDAA CN=c1ccc(C(=O)NC2([C@@H](O)c3ccccc3)CC2)c[nH]1 2325765465 KNOQFHJPYHSFFJ-HNNXBMFYSA-N 297.358 1.541 0 50 CDAA Cc1cccn2c(=O)cc(N3CCO[C@@H](C)C3)nc12 2325789471 RQTAHHQOKZKZFN-NSHDSACASA-N 259.309 1.228 0 50 CDAA O=C(NC[C@H]1CCOC1)c1n[nH]cc1-c1ccncc1 2325798081 LYDDTXXZSFWBJN-SNVBAGLBSA-N 272.308 1.238 0 50 CDAA CN(C(=O)c1cc2scnc2[nH]1)C1(C(=O)O)CC1 2325808672 SSNOQCNSGLZVJC-UHFFFAOYSA-N 265.294 1.314 0 50 CDAA CN(C(=O)c1ccc(-c2cn[nH]c2)cn1)[C@H]1CCCNCC1 876823819 FQECRWSEROXNCC-AWEZNQCLSA-N 299.378 1.686 0 50 CDAA NC(=O)c1csc(CN[C@@H]2CCOC23CCCC3)n1 903201380 YVTFOZPSJKGUIY-SNVBAGLBSA-N 281.381 1.433 0 50 CDAA NC[C@]12CC[C@H]1CCN2C(=O)Nc1nnc2ccccn12 904334518 YIQRDCKANYOIND-IINYFYTJSA-N 286.339 1.074 0 50 CDAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCOC[C@@H]1C(=O)O 907578541 IUMBVJBNAGSHRC-LLVKDONJSA-N 295.335 1.811 0 50 CDAA Cc1csc2nc(=O)c(-c3ccccc3N)nn12 235790 UQCMJGBPQQMKIO-UHFFFAOYSA-N 258.306 1.709 0 50 CDAA COc1cccc(OC)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 255488 OWGMIPBVQNQXTE-QWRGUYRKSA-N 279.336 1.953 0 50 CDAA [O-][n+]1onc2c1CCc1c-2nc(-c2ccccc2)n1O 291859 HOVDPYVLWWQTQG-UHFFFAOYSA-N 270.248 1.174 0 50 CDAA CCOC(=O)CC(=O)Nc1nnc(CC(C)C)s1 500326 YZFZQKMIRABSKZ-UHFFFAOYSA-N 271.342 1.628 0 50 CDAA Cc1cc(=N)[nH]cc1-c1cnc(-n2cnnc2)c(C)c1 2356150841 BTGNRIQIIYIOAT-UHFFFAOYSA-N 266.308 1.754 0 50 CDAA CC(=O)OCCCc1onc(C)c1CCCOC(C)=O 2519432 JXWZFWNVTFPDBH-UHFFFAOYSA-N 283.324 1.974 0 50 CDAA CCOc1ccc(-c2nnn(C[C@@H]3CCCO3)n2)cc1 340674485 IPPHSBAHWOPJMC-ZDUSSCGKSA-N 274.324 1.918 0 50 CDAA O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1 4223144 AIKBGOLKCFZIGN-MJBXVCDLSA-N 287.363 1.414 0 50 CDAA Cc1cccc(N(CC(=O)O)S(C)(=O)=O)c1C 4993570 XDGKCDLOAWRWJU-UHFFFAOYSA-N 257.311 1.154 0 50 CDAA COc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2C)cc1OC 4792630 IGCUAQHQLRVAAG-TVQRCGJNSA-N 279.292 1.308 0 50 CDAA CSC[C@@H](O)CN1CCC[C@@H](N2CCCCC2)C1 221904739 WQYMPJJWEQUHQJ-KGLIPLIRSA-N 272.458 1.661 0 50 CDAA O[C@@H](COC[C@H]1CCCO1)CN1CCc2ccc(F)cc21 222131709 MJEHIAFBQVGWCW-HUUCEWRRSA-N 295.354 1.745 0 50 CDAA COc1cccc(CS(=O)(=O)c2nnc(C)[nH]2)c1 225741914 YJFJWTBUZRPRQI-UHFFFAOYSA-N 267.310 1.096 0 50 CDAA CC(C)OCCCNC(=O)CCN1CCCCO1 55211642 VMJMZTBWSCJIEM-UHFFFAOYSA-N 258.362 1.335 0 50 CDAA C[C@H]1C[C@H](C(=O)N[C@H](C)CN2CCCC2=O)C[C@@H](C)O1 245755550 HOAXNBWGFBKKEU-FVCCEPFGSA-N 282.384 1.317 0 50 CDAA CN1CCN(C(=O)[C@H]2CCCO2)[C@H](c2ccccc2)C1 245905553 ULEAUPJUKAQENY-LSDHHAIUSA-N 274.364 1.681 0 50 CDAA Cn1ccnc1[C@@H](Nc1ncccn1)C1CCOCC1 343951662 QUVSPNOQADPEPE-LBPRGKRZSA-N 273.340 1.790 0 50 CDAA NC1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1 114836764 FYVPTKUQGAZWIY-DZGCQCFKSA-N 251.418 1.674 0 50 CDAA Cn1ncc2c1NC(=O)C[C@H]2c1ccc(C(=O)O)cc1 61720102 FREKEPHAMGUJOZ-JTQLQIEISA-N 271.276 1.592 0 50 CDAA Cn1ccnc1[C@@H](O)CNC(=O)[C@@H]1CCc2ccccc2C1 20598621 IBQQIUWHJWBBJF-CABCVRRESA-N 299.374 1.375 0 50 CDAA CC(C)(C)OC(=O)NC1CCN([C@@H]2CCNC2)CC1 22014989 RYEDWVUQVIEGNA-GFCCVEGCSA-N 269.389 1.337 0 50 CDAA CNC(=O)CCN(C)C(=O)c1ccc(C(C)=O)s1 67946485 AWZHGBLFTZWTLY-UHFFFAOYSA-N 268.338 1.159 0 50 CDAA NS(=O)(=O)Cc1ccccc1I 137713440 DMQOHPMGXYHYOF-UHFFFAOYSA-N 297.117 1.080 0 50 CDAA CCCSc1ncc(CN2CCO[C@H](CN)C2)cn1 67755884 QEIBYSUXBCJFOA-GFCCVEGCSA-N 282.413 1.138 0 50 CDAA C[C@@H](C(N)=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 229166313 SQZMOXLSCFCHJU-NWDGAFQWSA-N 281.400 1.021 0 50 CDAA C[C@@H]1CCC[C@H](CCN2C[C@H](O)C[C@H]2C(N)=O)C1 252486515 KNSWWDSUJMWVIR-LPWJVIDDSA-N 254.374 1.123 0 50 CDAA CCN(CC)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 252489752 JZEXERQXNBQUGI-MRXNPFEDSA-N 293.455 1.946 0 50 CDAA Cc1ccnc(N2CCN(Cc3ccccc3CO)CC2)n1 32533094 HAGWZZZJXHQKLF-UHFFFAOYSA-N 298.390 1.600 0 50 CDAA CCN(Cc1ccccc1C)C(=O)C[C@@H](CN)CO 328598535 MRONFIVITPSCTJ-ZDUSSCGKSA-N 264.369 1.301 0 50 CDAA O=C(O)CCC(=O)NC1C2CC3CC(C2)CC1C3 4679982 NAVHWDKCRCGPER-UHFFFAOYSA-N 251.326 1.792 0 50 CDAA CN(Cc1ccncc1)c1nccc(=N[C@@H]2CCCOC2)[nH]1 328637819 OVVLIZNJQYUKRF-CQSZACIVSA-N 299.378 1.521 0 50 CDAA C[C@@H](C(=O)N(C)CCC(C)(C)O)n1cc(Cl)cn1 71776628 WURZMJAMBWLXKL-VIFPVBQESA-N 273.764 1.717 0 50 CDAA NC(=O)COCCNC(=O)c1csc2ccccc12 131253237 OMBZAEUCMWCMNN-UHFFFAOYSA-N 278.333 1.133 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1nnc(-c2ccco2)o1 331651417 WOLDQKBVMLSYLL-IUCAKERBSA-N 267.260 1.234 0 50 CDAA N=C(O)[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 336039853 SLMCJVFVYNBXAS-LURJTMIESA-N 290.245 1.816 0 50 CDAA COCC[C@@H]1COCCN1C(=O)c1cc[nH]c1C 366015576 BOGIWBICGWFQRV-LLVKDONJSA-N 252.314 1.201 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1CC(=O)O 262957565 NNAIVUKOBVEUQE-BXKDBHETSA-N 293.367 1.606 0 50 CDAA CC(C)[C@](C)(CC(=O)O)NC(=O)[C@@H]1CCO[C@H](C)C1 262986684 NTHYJAWLUJUMRG-GYSYKLTISA-N 271.357 1.807 0 50 CDAA NC(=O)CCN1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72157673 PRBUURCNPHQCHB-CGTJXYLNSA-N 299.418 1.424 0 50 CDAA CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC[C@H]1CNCCCO1 333756640 ZVQKCAHMLMCMEN-RRFJBIMHSA-N 297.443 1.975 0 50 CDAA O=C(NCc1ccccc1OCC1CC1)[C@H]1C[C@H]1C(=O)O 262356467 CHNANGNSYJFZJJ-QWHCGFSZSA-N 289.331 1.812 0 50 CDAA CCCc1noc(COc2ccc(CC(N)=O)cc2)n1 72138655 DXVOSZIBBVXGRS-UHFFFAOYSA-N 275.308 1.629 0 50 CDAA CC[C@H](C)c1nnc2n1CC[C@@H](C(=O)OC)CC2 601044909 SPWQXKWRVMJNMW-UWVGGRQHSA-N 251.330 1.917 0 50 CDAA COc1cc(S(=O)(=O)NC[C@H](C)O)ccc1Cl 41091953 BVRIIFJPRWUOBR-ZETCQYMHSA-N 279.745 1.008 0 50 CDAA O=C(C1CCC(Cn2cnnn2)CC1)N1CCSCC1 40286450 ZLLLNOWXDZSOHC-UHFFFAOYSA-N 295.412 1.055 0 50 CDAA NC(=O)C[C@H]1CCCN(C(=O)c2ccc3nccn3c2)C1 174771143 ZXZHVOMBZJCPKR-LLVKDONJSA-N 286.335 1.062 0 50 CDAA CC(C)c1cc(CN(C)C(=O)N[C@H](C)CC(=O)O)no1 426574670 FNXLGYBYUVSQIE-SECBINFHSA-N 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CCc1nc2n(n1)C[C@@H](Nc1ncnc(N)c1Cl)CC2 302916309 WDQDRXSDMLPCFY-ZETCQYMHSA-N 293.762 1.293 0 50 CDAA COc1cc(F)cc(CN2CCC[C@@](O)(CC(N)=O)C2)c1 643747621 KMQPMKNMLUKJPP-OAHLLOKOSA-N 296.342 1.037 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)[C@@H]1CN 237658687 PAJKOJOZBGRKPK-GXFFZTMASA-N 274.368 1.553 0 50 CDAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccccc1 247319861 ONZYZNXQYYPWSN-ZFWWWQNUSA-N 294.420 1.685 0 50 CDAA CCc1nc([C@H]2CCCN2C(=O)N=c2cc[nH]cc2)no1 674072501 PPWVTSOGMPMDFF-LLVKDONJSA-N 287.323 1.818 0 50 CDAA CNC(=O)NC(=O)CN1C[C@@H](C)Oc2cc(C)ccc21 253429914 HCWYWFBPGUZDOS-SNVBAGLBSA-N 277.324 1.038 0 50 CDAA CC(C)(O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 365282200 SBFJOWWUBGRAIB-SECBINFHSA-N 296.754 1.332 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@@H](C)N(C)C 585121083 FMQXKQJHQPELDA-GFCCVEGCSA-N 279.384 1.827 0 50 CDAA CC(C)c1nccnc1NC(=O)Cn1ncc2cccnc21 906427760 WKKYLTUUVHGOSO-UHFFFAOYSA-N 296.334 1.983 0 50 CDAA COc1cccnc1NC(=O)NC1CC(OC)(OC)C1 952882942 LNWJAFSNTLCNPN-UHFFFAOYSA-N 281.312 1.363 0 50 CDAA CCC[C@@H](C)NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)OCC 952994331 ZSDXSFQJIIVJFK-OUAUKWLOSA-N 277.386 1.294 0 50 CDAA CCc1c(C)[nH][nH]c1=NCc1cc2ccccn2n1 1875290834 FDXPZDGKCXVIMZ-UHFFFAOYSA-N 255.325 1.962 0 50 CDAA Cc1cc(=N[C@H]2CC[C@@H](N)CC2)[nH]c(-c2ccccn2)n1 1875269721 OKPHQAYDNZBOBA-BETUJISGSA-N 283.379 1.951 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCOCC3)n[nH]c21 1875288822 FOIYPIGYGKQCIS-ZJUUUORDSA-N 279.340 1.294 0 50 CDAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4CC[C@H]3O4)[C@@H]2C1 1875304852 XMSDBOJYFOGUEL-XFFDSYCDSA-N 279.336 1.169 0 50 CDAA COc1cncc(CN2CCC(O)(CC(=O)O)CC2)c1C 1875334867 ISCRRIPGSABVED-UHFFFAOYSA-N 294.351 1.200 0 50 CDAA O=S(=O)(NCC(F)(F)C(F)F)c1ccc(F)nc1 888097370 IXDBNDKMGACQMO-UHFFFAOYSA-N 290.213 1.399 0 50 CDAA NC(=O)c1c[nH]nc1NCc1cc(F)cc2cccnc12 1308536012 UVWHSUAKAIYGND-UHFFFAOYSA-N 285.282 1.808 0 50 CDAA Cc1nnc(NC[C@H]2CCCN2CC(F)(F)F)nc1C 896053616 IDGRJFCJGQRNRG-SNVBAGLBSA-N 289.305 1.927 0 50 CDAA COC(C)(C)c1nsc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)n1 896970310 SRQOZTLVOFJKPB-YIZRAAEISA-N 287.385 1.106 0 50 CDAA CN(C[C@H]1CCOC1)C(=O)c1ccc(C(=O)O)s1 237241035 IFFLPSSPTMQYJU-MRVPVSSYSA-N 269.322 1.555 0 50 CDAA CCN1CCN(CC(=O)NC2CCCCCC2)CC1 20608801 MUAUFKKCQCMQCX-UHFFFAOYSA-N 267.417 1.463 0 50 CDAA C[C@H](C(=O)O)N(C(=O)c1ccccc1F)C1CC1 262680880 ZREVYMZPCLGYRV-MRVPVSSYSA-N 251.257 1.903 0 50 CDAA COC1(C(=O)O)CCN(C(=O)N2CCCC[C@H]2C)CC1 312366606 KJEKWKHNXYRRIQ-LLVKDONJSA-N 284.356 1.546 0 50 CDAA C[C@@H]1O[C@H](C)[C@@H](C)[C@@H]1C(=O)N(C[C@@H](C)C(=O)O)C1CC1 630160606 XYZPJAWRLIFTAG-YFVNTRNASA-N 283.368 1.758 0 50 CDAA C[C@@H]1C[C@H](O)CN(C(=O)c2ccc(Br)cn2)C1 335212475 GJIKTXNXBBLJKM-SCZZXKLOSA-N 299.168 1.687 0 50 CDAA O=C(O)CN(C(=O)C[C@@H]1CCCNCC1)C1CCC1 653472663 XRNMWFLMNRJBFM-LLVKDONJSA-N 268.357 1.232 0 50 CDAA Cc1nc(C)c(C(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)o1 379229328 SAVFNXFCRRLGEQ-BDAKNGLRSA-N 291.273 1.786 0 50 CDAA NS(=O)(=O)C1(CNc2nccnc2C(F)F)CCC1 721587707 RVZVCTDOFLMDMU-UHFFFAOYSA-N 292.311 1.037 0 50 CDAA CC(=O)Nc1ccc(OC[C@H](O)Cn2ccnc2)cc1 818228 BWGLYCLYDKGWBH-CYBMUJFWSA-N 275.308 1.281 0 50 CDAA NC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 442663 SQKJRTVGTVKOTB-UWVGGRQHSA-N 288.303 1.391 0 50 CDAA O=C(NC[C@@H]1[C@H]2CNC[C@H]21)c1ccc(-c2cc[nH]n2)s1 2325800698 BWLGLLGROJZDNI-MYJAWHEDSA-N 288.376 1.333 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)[C@@H]1C[C@@](C)(OC)C1(C)C 859750378 PQZWFBKGPSWOGA-IAQYHMDHSA-N 282.384 1.293 0 50 CDAA Nc1cccnc1C(=O)NCc1cccc(C(=O)O)c1 132580547 AOEZKMUUMFZZJY-UHFFFAOYSA-N 271.276 1.292 0 50 CDAA CN1CCC[C@H](OC(=O)COc2ccc(F)cc2)C1 249841 JJVMNOUACCFPSQ-ZDUSSCGKSA-N 267.300 1.842 0 50 CDAA S=C(c1ccc(N2CCOCC2)cc1)N1CCOCC1 470063 JOYAJPCOFDFIRL-UHFFFAOYSA-N 292.404 1.531 0 50 CDAA O=C(NCc1ccncc1)[C@@H]1COc2ccccc2O1 813702 HVOLYHOZRGYKPH-AWEZNQCLSA-N 270.288 1.538 0 50 CDAA CC(C)c1cc(NC(=O)CN2CCCCCC2=O)n(C)n1 2356167575 TWAGXMAAGUEJOI-UHFFFAOYSA-N 292.383 1.885 0 50 CDAA Cc1cccc(C)c1OCC(=O)NC[C@H]1CCCO1 2866420 URHQVWQKWGVDST-CYBMUJFWSA-N 263.337 1.977 0 50 CDAA COc1cc(C=O)ccc1OCC(=O)N1CCCC1 3399284 WQPVWMPVTAJJCJ-UHFFFAOYSA-N 263.293 1.509 0 50 CDAA COc1cccc2c(=O)c(CCC(=O)O)c(C)[nH]c12 3877488 FNSBIMJVBZWKFK-UHFFFAOYSA-N 261.277 1.862 0 50 CDAA COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O 4272453 LTALDERGPAZTDC-UHFFFAOYSA-N 262.261 1.831 0 50 CDAA biogenic COc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2C)cc1OC 4792626 IGCUAQHQLRVAAG-RNCFNFMXSA-N 279.292 1.308 0 50 CDAA CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)cs1 6681532 BYTWVEOZMWEASZ-UHFFFAOYSA-N 296.373 1.909 0 50 CDAA O=C([C@@H]1CC12CC2)N(CCO)Cc1ccccc1F 102536486 XVEXEFCUUBGREN-LBPRGKRZSA-N 263.312 1.947 0 50 CDAA CC[C@H](N)CC(=O)NC[C@@H](c1ccco1)N(C)C 135552055 VDIPEWYFSIOQQJ-QWRGUYRKSA-N 253.346 1.126 0 50 CDAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100147476 NIGPPPVPMJYXFY-XRRVDJEJSA-N 283.283 1.696 0 50 CDAA Cc1nn2cnnc2c(C)c1CCC(=O)NC1CCCC1 9689347 FZMQNDJYALZDGY-UHFFFAOYSA-N 287.367 1.733 0 50 CDAA CNC(=O)C(C)(C)CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 225398422 GYBPTVIWNUIHOB-KKUMJFAQSA-N 293.455 1.565 0 50 CDAA COCCO[C@H]1CCN(C(=O)c2ccn(C(C)C)n2)C1 225444379 SLRFZGQJLLITHS-LBPRGKRZSA-N 281.356 1.342 0 50 CDAA O[C@H]1C[C@H](c2ccc(F)cc2)N(c2ncnc3nc[nH]c23)C1 225512816 ULMBKBPEIVEGOK-NWDGAFQWSA-N 299.309 1.804 0 50 CDAA C[C@@H]1CN(C(=O)NCc2ccccc2)C[C@H]1C(=O)O 111257830 KLTXRELZYZEUHI-ZYHUDNBSSA-N 262.309 1.549 0 50 CDAA C[C@H]1CN(CCCCNC(=O)C(F)F)C[C@H](C)O1 225626759 GSYAKNSSDUMDPM-UWVGGRQHSA-N 264.316 1.257 0 50 CDAA O=c1c2n[nH]c(=O)n2c2ccccc2n1-c1ccccc1 59349767 PURDBAWFPGUDBB-UHFFFAOYSA-N 278.271 1.327 0 50 CDAA Cc1cccc(C(=O)NCCc2nnc(N)s2)c1 20201273 ICIFSKMPLNSMIA-UHFFFAOYSA-N 262.338 1.401 0 50 CDAA Cc1nn(-c2ccc(F)cc2)c(O)c1CC(=O)O 100096874 VBUUSHQDCJHJGW-UHFFFAOYSA-N 250.229 1.653 0 50 CDAA CC(=O)c1ccc(N2C(=O)C[C@@H](SCCO)C2=O)cc1 101271546 UTVXXGPBNJNNJK-GFCCVEGCSA-N 293.344 1.247 0 50 CDAA CC(C)C(=O)NCc1ccccc1CN1CCOCC1 23955830 LOGHFEWOWNOQMD-UHFFFAOYSA-N 276.380 1.791 0 50 CDAA C[C@@H](C(=O)N1Cc2cnc(C(C)(C)C)nc2C1)N(C)C 67432014 MCEURBZYNHKDCS-JTQLQIEISA-N 276.384 1.566 0 50 CDAA COC[C@H]1CN(Cc2cc(C)on2)CC(C)(C)O1 343337961 IWGJPAJONHIVNW-GFCCVEGCSA-N 254.330 1.609 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCCO2)c2ccccc21 133863608 QNZZTWMEYITYNC-PWSUYJOCSA-N 261.277 1.380 0 50 CDAA O=C(CCc1nc(-c2nc[nH]n2)no1)N[C@@H]1C=CCCC1 343771566 OSJFASMLVKFOKM-SECBINFHSA-N 288.311 1.012 0 50 CDAA Cc1ncc(C(=O)NCc2cncn2CC(C)C)c(C)n1 65383434 JESUVOGBSAYXPK-UHFFFAOYSA-N 287.367 1.876 0 50 CDAA CCN(CC1CCOCC1)C(=O)[C@@H]1CCCN1C(C)=O 67821391 GPKMOMCFPPXQAY-AWEZNQCLSA-N 282.384 1.272 0 50 CDAA CN(CCC1CC1)S(=O)(=O)c1c[nH]c2ncccc12 119150294 PVOQDUJVVOOYNE-UHFFFAOYSA-N 279.365 1.984 0 50 CDAA O[C@@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 229106725 QLKGCYWJKCFNFL-CHWSQXEVSA-N 285.771 1.536 0 50 CDAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 229356503 MPNYDNIYCCXNRF-RYUDHWBXSA-N 299.396 1.197 0 50 CDAA C[C@H](CN(C)C(=O)[C@@H](c1ccccc1)C1CC1)c1nnn[nH]1 124615430 MYXNWPUGGCKZHW-RISCZKNCSA-N 299.378 1.955 0 50 CDAA O=C(O)CN1CCC(Oc2ccccc2F)CC1 67773532 RGICZNHHORLQRD-UHFFFAOYSA-N 253.273 1.754 0 50 CDAA COC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 33986310 AORVWDJGVFCGOW-LBPRGKRZSA-N 251.326 1.907 0 50 CDAA CCc1ccccc1-n1c(C2CCN(C)CC2)n[nH]c1=O 65530456 RWHBIBTXYCLPTB-UHFFFAOYSA-N 286.379 1.932 0 50 CDAA CC(=O)NCCNc1nccc(CCC(F)(F)F)n1 71775992 ANICBIIQIHHUBN-UHFFFAOYSA-N 276.262 1.520 0 50 CDAA Cc1ncoc1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O 330333466 YIEGHCDDRDSDNB-QWRGUYRKSA-N 278.308 1.193 0 50 CDAA CCC[C@](C)(O)C(=O)NCc1nnc(S)n1C1CC1 125284774 ZKDCHFHFUKCPAV-LBPRGKRZSA-N 284.385 1.069 0 50 CDAA CCN(CC(F)(F)F)C(=O)[C@@H]1CC12CCNCC2 70255777 OFDNAXLYPLWQQN-VIFPVBQESA-N 264.291 1.787 0 50 CDAA NCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 37822422 VOIYSFDFEDLQOL-LLVKDONJSA-N 254.717 1.199 0 50 CDAA CCc1cc(OC)ccc1CN(C)C[C@@H]1C[C@@H](O)CN1 328597426 HBCIWJUYBOMWHT-LSDHHAIUSA-N 278.396 1.412 0 50 CDAA CC[C@H](SC)C(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 328635485 UVSJJBVHRSXXFI-RYUDHWBXSA-N 296.440 1.757 0 50 CDAA CC[C@H]1COCCN1S(=O)(=O)N1CCCCCC1 77356379 IBURBSUWRCDDSS-LBPRGKRZSA-N 276.402 1.218 0 50 CDAA Cn1nccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 125342795 UGOSOAWXFMBIAV-WCQGTBRESA-N 276.340 1.499 0 50 CDAA COc1cc2c(cc1Cl)S(=O)(=O)N=C(C)N2 71772372 PONOAYBQXHOMTO-UHFFFAOYSA-N 260.702 1.881 0 50 CDAA CCOC(=O)c1c(OCC)n[nH]c1Br 138601829 QZZAPVACMLDERF-UHFFFAOYSA-N 263.091 1.748 0 50 CDAA NCCN(CCc1ccccc1)C(=O)[C@@H]1CCCNC1 261698838 JFBQEAXNCNMZDF-OAHLLOKOSA-N 275.396 1.016 0 50 CDAA O=C(c1ccccc1O)N1CCCC[C@@H]1c1nc(O)n[nH]1 333226534 FWLTUTBDHBSGPL-SNVBAGLBSA-N 288.307 1.583 0 50 CDAA CC1(C)CC(=O)c2cc(C(=O)NC3CC3)c(=O)[nH]c2C1 71375820 SNDRSSJYPSJEBY-UHFFFAOYSA-N 274.320 1.422 0 50 CDAA C[C@@H]1CCCN(C(=O)CN(C)Cc2ccccc2)[C@@H]1CN 156972042 LEGIVNPTWOVCII-GDBMZVCRSA-N 289.423 1.704 0 50 CDAA C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CCN1C 237565148 MFMUPWBRPGZHPJ-KBMXLJTQSA-N 289.423 1.498 0 50 CDAA CO[C@H]1CCN(Cc2cnc(N3CCCC3)s2)C1 215789525 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CSCCC(=O)N1CCN(c2ccccc2C)C(=O)C1 82108137 HMANPSDPPSFNRR-UHFFFAOYSA-N 292.404 1.923 0 50 CDAA CC(C)(C(=O)NCCCn1cc(Cl)cn1)N1CCCC1 426435395 KWJVIXGKTUYPRP-UHFFFAOYSA-N 298.818 1.917 0 50 CDAA CCN(CC)S(=O)(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 175075652 LRRASLISXXQDLR-VXGBXAGGSA-N 277.434 1.035 0 50 CDAA C[C@H](C(=O)N1CC(c2nc3ccccc3[nH]2)C1)n1cccn1 426488552 VQTVFOUMDXYRLE-LLVKDONJSA-N 295.346 1.946 0 50 CDAA CC(C)C[C@H](O)C(=O)N1CCN(c2cccnc2)CC1 221385540 ZHRLRWIDDIWHKA-AWEZNQCLSA-N 277.368 1.137 0 50 CDAA CCOC(=O)c1nn(Cc2ccccc2)c2c1CNCC2 82810574 CEXVATWMVKJYID-UHFFFAOYSA-N 285.347 1.754 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)N1CCOc2ccccc21 286771323 WKXVRIQXEREZGD-UHFFFAOYSA-N 293.348 1.316 0 50 CDAA CO[C@H]1CCN(C(=O)c2cccnc2SC)C1 220133241 NJWPYESWAAIADH-VIFPVBQESA-N 252.339 1.664 0 50 CDAA CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5 141906573 BQJCRHHNABKAKU-FEJVXNBFSA-N 285.343 1.198 0 50 CDAA endogenous,in-man O=C1CC[C@H](C(=O)NCCc2nc3ccccc3o2)CN1 426401699 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Cc1cc(CN(C)C[C@@H]2CCc3nccn3C2)no1 328624240 CHVJYAQERTXLAV-LBPRGKRZSA-N 260.341 1.874 0 50 CDAA CN(Cc1ncccc1Cl)C[C@H]1CCS(=O)(=O)C1 528387312 MOSHDWRCRXDPTN-SNVBAGLBSA-N 288.800 1.602 0 50 CDAA CC1(CO)CN(C(=O)c2ccc(C(F)(F)F)cn2)C1 622649221 IDBKPWWTUDLPFP-UHFFFAOYSA-N 274.242 1.555 0 50 CDAA O=C(c1ccsc1Cl)N1CCC(O)(C(=O)O)CC1 668276784 XBEHURINQAXJAK-UHFFFAOYSA-N 289.740 1.453 0 50 CDAA Cc1ccccc1Nc1nc2nonc2n2nnnc12 49001 KOBPZBGNVXXOIO-UHFFFAOYSA-N 268.240 1.108 0 50 CDAA COc1cnc(-c2cc3c(cc2OC)OCO3)nc1 2100482399 WPDTUZAZYJOXNQ-UHFFFAOYSA-N 260.249 1.890 0 50 CDAA O=C(Cc1ccc2c(c1)OCO2)Nc1ccnc(O)c1 2100537447 NESFDHQYXADYNZ-UHFFFAOYSA-N 272.260 1.697 0 50 CDAA COc1ccc(S(=O)(=O)NC[C@H](C)O)c2ccccc12 12383525 QJTWQLHPFQTIBU-JTQLQIEISA-N 295.360 1.508 0 50 CDAA O=C1NCCc2occ(C(=O)N3[C@H]4CCC[C@H]3CC4)c21 2325766285 QTDHBHYQGLLKGK-UWVGGRQHSA-N 274.320 1.723 0 50 CDAA C[C@H](N)c1nc(C(=O)N2C[C@@H](CN)C3(CCC3)C2)cs1 2325791158 ZYYSPZSUCAAYJY-VHSXEESVSA-N 294.424 1.364 0 50 CDAA Cc1cc(OCCN2C[C@@H](N)[C@H](N)C2)ccc1C(C)C 2325804994 HVLPTWPZBCVTBE-HZPDHXFCSA-N 277.412 1.467 0 50 CDAA Cc1c(CNC(=O)[C@@H]2CCNC2=O)noc1-c1ccccc1 2325813161 RAIZMOCNRGFWGF-GFCCVEGCSA-N 299.330 1.402 0 50 CDAA COc1ccc(OC)c(NC(=S)N2CCOCC2)c1 305974 GCWQASDLOSXNOI-UHFFFAOYSA-N 282.365 1.733 0 50 CDAA CS(=O)(=O)Nc1nnc(Cc2ccccc2)s1 410634 YYCJAVKLZPRSRN-UHFFFAOYSA-N 269.351 1.500 0 50 CDAA NCCNc1cccc2cccc(S(=O)(=O)O)c12 2169453 XCNDHKWVELDQPO-UHFFFAOYSA-N 266.322 1.457 0 50 CDAA in-vitro CCN(CC)CCOC(=O)c1ccc(OC)c(O)c1 2903328 QLCKEYDPDVELQP-UHFFFAOYSA-N 267.325 1.899 0 50 CDAA O=C(COc1ccc2c(c1)OCO2)NCc1cccnc1 4414130 LENNXZWYBKGLQX-UHFFFAOYSA-N 286.287 1.506 0 50 CDAA O[C@H](COc1ccccc1)CSc1ncn[nH]1 6492418 XBRHTSGLTMDDHF-SECBINFHSA-N 251.311 1.337 0 50 CDAA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C)CC(=O)N2 8971721 ZVBNICNMOBZLLA-LLVKDONJSA-N 269.304 1.861 0 50 CDAA CC[C@@H](CO)NC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 225440060 HUYDEOZCQNWGGL-QWHCGFSZSA-N 294.399 1.912 0 50 CDAA c1ccn2c(CCCNc3ncnc4oncc34)nnc2c1 225503940 QSMMJCSVSRIUPG-UHFFFAOYSA-N 295.306 1.705 0 50 CDAA CSc1nc(C)cc(Oc2ccc(O)nn2)n1 9010287 DSMSLNJWZREQSY-UHFFFAOYSA-N 250.283 1.795 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2nnc(C)s2)no1 225836657 URRMBZJJDFSKLO-BYPYZUCNSA-N 253.287 1.029 0 50 CDAA COc1cccc(C(=O)O[C@H](C)CN2CCOCC2)c1 20058138 SYZHYKRFEZFEMU-GFCCVEGCSA-N 279.336 1.573 0 50 CDAA CC(C)c1cc(C(=O)NC[C@@]2(N(C)C)CCSC2)no1 65488645 FPGNWDCQQMGRAP-AWEZNQCLSA-N 297.424 1.965 0 50 CDAA C[C@]1(C(=O)NCC2(Cn3ccnc3)CC2)CCCCO1 67587843 FONXOGBIKAEWBO-CQSZACIVSA-N 277.368 1.739 0 50 CDAA COC(=O)C[C@H]1C=C(O)n2c(nc3ccccc32)N1 66324437 UTVAIJQVNSREMC-MRVPVSSYSA-N 259.265 1.750 0 50 CDAA NC[C@H]1CCCN1C(=O)COc1ccccc1Cl 238037081 YJPPFHLCHGZECH-SNVBAGLBSA-N 268.744 1.669 0 50 CDAA O=C([C@H]1CNCCOC1)N1CCCc2ccccc2C1 643688538 ZWVPJZUEJUDVNC-HNNXBMFYSA-N 274.364 1.197 0 50 CDAA Cc1cc([C@H]2CCCCN2C(=O)Cc2nonc2C)n[nH]1 1363726658 SNCYVYPGKJBPKX-CYBMUJFWSA-N 289.339 1.706 0 50 CDAA CCCc1nc(C)cc(NCCN2CCOCC2)n1 65369903 GJWONJRMXLOBGI-UHFFFAOYSA-N 264.373 1.482 0 50 CDAA O=C(O)COc1ccc(Br)cc1CO 470785 QMNTWAAGYOSTJK-UHFFFAOYSA-N 261.071 1.405 0 50 CDAA in-vivo CCOc1ccc(-c2noc(CNC(C)=O)n2)cc1 72139249 HCAWPZWQZLGLJV-UHFFFAOYSA-N 261.281 1.771 0 50 CDAA CC(=O)NCC1CCN(Cc2ccc(N(C)C)nc2)CC1 77299583 LMSFLTDGNSBPBG-UHFFFAOYSA-N 290.411 1.496 0 50 CDAA Cc1ccsc1C(=O)NC1(C(=O)O)CCOCC1 127422778 KRHCXYRXIOUEDH-UHFFFAOYSA-N 269.322 1.420 0 50 CDAA CN1CCN(C)c2cc(NC(=O)[C@H]3CCCO3)ccc2C1 253390148 DYNBUWDRUFWCHR-OAHLLOKOSA-N 289.379 1.686 0 50 CDAA C[C@@H](Cc1cccnc1)NC(=O)c1cc(CO)ccn1 217211353 AQXSIOYMSQIQPJ-NSHDSACASA-N 271.320 1.330 0 50 CDAA C[C@]12CCN(C(=O)C3(S(C)(=O)=O)CC3)C[C@@H]1C2(F)F 329089263 IKSAVRSEHKOEBY-WPRPVWTQSA-N 293.335 1.067 0 50 CDAA COCC[C@H]1CCCCN1C(=O)c1cccc(=O)[nH]1 215298341 VIVGNBMGAPAZNY-LLVKDONJSA-N 264.325 1.406 0 50 CDAA Cc1cnn(-c2cccc(N3CC[C@](F)(CO)C3)n2)c1 374634969 BMLWEUFZLMQZBI-CQSZACIVSA-N 276.315 1.486 0 50 CDAA Cc1ccc(NC(=O)CCOC2CCOCC2)c(O)n1 330850855 LOLMMWLHOAXQKG-UHFFFAOYSA-N 280.324 1.620 0 50 CDAA O=C(Nc1nc(Br)ccc1O)[C@@H]1CCOC1 156347632 KHIVZLYSVCIBRC-ZCFIWIBFSA-N 287.113 1.525 0 50 CDAA CCNC(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1 127957585 WPNNUPBNIINAGI-UHFFFAOYSA-N 289.379 1.894 0 50 CDAA Cc1cc(F)cc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)c1 261749794 WCXGDTMUHAAOGM-QMMMGPOBSA-N 275.301 1.228 0 50 CDAA CC[C@@H](O)C(=O)NCCOc1ccccc1Cl 71763113 CUMSUIOLJFEXDM-SNVBAGLBSA-N 257.717 1.606 0 50 CDAA CC(C)c1cc(C(=O)N(CC(=O)O)C2CC2)nn1C 236880535 QNVTUIZFBJBSNM-UHFFFAOYSA-N 265.313 1.233 0 50 CDAA CCc1ccccc1OCC(=O)N1CCC[C@@H](N)C1 157814406 QRTMVVBJDCNRBV-CYBMUJFWSA-N 262.353 1.578 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)[C@@]2(C)CCNC2)C1(C)C 237271503 WTPORTZLMROTLY-LEWSCRJBSA-N 254.374 1.306 0 50 CDAA CC(C)CN1CCN(C[C@H]2CCNC(=O)CC2)[C@H](C)C1=O 333756559 YSSCELPSEGKTAT-ZIAGYGMSSA-N 295.427 1.091 0 50 CDAA C[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)CCN1 237536640 UBDPUHDERHBBOD-JTQLQIEISA-N 272.308 1.171 0 50 CDAA CC[C@H](N)C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 519535508 FMJFYVSBKOWUTN-RWMBFGLXSA-N 263.341 1.155 0 50 CDAA COc1cc(C(=O)N2CCC[C@H](N(C)C)CC2)ccc1O 72168991 AXDHJEJKVJBZQX-ZDUSSCGKSA-N 292.379 1.957 0 50 CDAA CN1C[C@H](NC(=O)N[C@H]2CCC23CCCC3)CC1=O 334537676 WSESYUCAPPJFBI-MNOVXSKESA-N 265.357 1.239 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)N1CCOC[C@H]1CC(=O)O 263234446 BMCQIRDCIFEITH-SNVBAGLBSA-N 294.307 1.176 0 50 CDAA Cc1ccc([C@@](C)(O)CNC(=O)c2c(C)noc2C)o1 176715806 VXIGAGXJZPOONB-AWEZNQCLSA-N 278.308 1.830 0 50 CDAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2)C1 48770967 ZXMBPYNBXHXYHI-NSHDSACASA-N 297.380 1.082 0 50 CDAA Cc1cccc2c1ccn2CC(=O)Nc1cn(C)nn1 48090839 ZYPBJQVBQZHESI-UHFFFAOYSA-N 269.308 1.717 0 50 CDAA CCOc1cc(S(N)(=O)=O)ccc1Br 41096020 HHBPCMKKZMFPEX-UHFFFAOYSA-N 280.143 1.495 0 50 CDAA Cn1ncnc1[C@@H](NC(=O)Cc1ccccn1)C1CC1 222461001 MHSWYTSYLQOHDL-ZDUSSCGKSA-N 271.324 1.020 0 50 CDAA C[C@H](C(=O)N(CCCO)Cc1ccncc1)n1cccn1 426487700 YILMENOWKSGJHV-CYBMUJFWSA-N 288.351 1.250 0 50 CDAA O=C(NCc1nnc2n1CCC2)c1ccc2c(c1)CCCO2 426698153 CCOGWLDFYIKZPQ-UHFFFAOYSA-N 298.346 1.479 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c2cccnc2O1 179301240 PRKFXMRVDBKZFQ-UZWSLXQKSA-N 274.320 1.763 0 50 CDAA COc1cccc(-c2n[nH]cc2C(=O)N2CC[C@H](O)C2)c1 91817725 OYJIFDLYTXQFHV-NSHDSACASA-N 287.319 1.292 0 50 CDAA CC[C@H](C(=O)NCc1cnc(SC)n1C)n1cccn1 91254657 YFBHNEOFNWQMQT-LLVKDONJSA-N 293.396 1.606 0 50 CDAA CN(C)CC(C)(C)CNC(=O)c1cnc(C2CC2)nc1 97797413 NIZXJDRFTRXYSD-UHFFFAOYSA-N 276.384 1.672 0 50 CDAA CC1(C)CN(CC(=O)NCCc2ccccc2)C[C@]1(C)O 91943117 LDOFJLDKRCXNNH-KRWDZBQOSA-N 290.407 1.438 0 50 CDAA O=C(CN1CC[C@H](n2cccn2)C1)Nc1nccs1 291376067 AOHCKIDDAQHLNP-JTQLQIEISA-N 277.353 1.225 0 50 CDAA CC(C)(CN1CCCC1)NC(=O)c1ccc(CO)cc1 616154803 NOJTXHYOFQZKHZ-UHFFFAOYSA-N 276.380 1.783 0 50 CDAA Cc1ccc([S@@](=O)CCO)cc1Br 238494380 JIAHVVIMRRZYBV-ZDUSSCGKSA-N 263.156 1.857 0 50 CDAA CN(C(=O)/C=C/c1c(F)cccc1F)[C@H]1CCNC1 179068999 NGDGWNCYBZPCJT-PORFMDCZSA-N 266.291 1.798 0 50 CDAA OC[C@@H]1CN(Cc2cccc3[nH]ccc23)C[C@H]1CO 529638524 IRYUHAPYIWPKCJ-STQMWFEESA-N 260.337 1.201 0 50 CDAA Cn1nccc1C(=O)Nc1cncnc1N1CCCC1 180488090 PCNVHPRJTHKWBH-UHFFFAOYSA-N 272.312 1.063 0 50 CDAA CC(C)C[C@@H](CN1CCCC1)NC(=O)c1ccon1 295489855 OLPBYLPQKZECPF-LBPRGKRZSA-N 265.357 1.915 0 50 CDAA Cc1nc2c3c(F)cccc3nn2c(O)c1CC(=O)O 252571665 YGXBPACNGGFLCQ-UHFFFAOYSA-N 275.239 1.663 0 50 CDAA COC(=O)c1cc(Br)nnc1Cl 261023350 BQGHQCGZUAETFT-UHFFFAOYSA-N 251.467 1.679 0 50 CDAA CN(Cc1cccnc1)C(=O)NCC1(Cn2ccnc2)CC1 534674664 HJYHUJWQJPMXID-UHFFFAOYSA-N 299.378 1.900 0 50 CDAA Cc1cccc(CCNC(=O)N2CC[C@@H](N(C)C)C2)n1 350624286 BBFWQFRJCYFHOM-CQSZACIVSA-N 276.384 1.278 0 50 CDAA COc1cccc(Cl)c1C(=O)N1CCO[C@H](C(=O)O)C1 299753790 ZIVOXXASTCGGBW-JTQLQIEISA-N 299.710 1.274 0 50 CDAA C[C@H](C(=O)O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 299748838 IJWMBNCJZNTLDL-PELKAZGASA-N 271.263 1.811 0 50 CDAA C[C@@H](C(=O)NCCCOC1CCCC1)n1cccn1 299421306 WSAVQJJIDXFLDF-LBPRGKRZSA-N 265.357 1.910 0 50 CDAA CCc1nccn1CCC(=O)N1CCC[C@H]1COC 824469470 YLQQZOQOXSUTOK-LBPRGKRZSA-N 265.357 1.473 0 50 CDAA O=C(CN1CCCCCC1)NCC1(O)CCCCC1 827832297 VRHDGHQMCLJUGJ-UHFFFAOYSA-N 268.401 1.674 0 50 CDAA N[C@H]1CCC[C@@H](C(=O)NCc2cnc3c(c2)CCC3)C1 584895965 PNWMLRPWAKKDRF-KGLIPLIRSA-N 273.380 1.704 0 50 CDAA Cc1nc(O)c(Cl)c(N(C)CC2CCN(C)CC2)n1 823759323 HZUGESJWAMXNCK-UHFFFAOYSA-N 284.791 1.922 0 50 CDAA Cc1nccn1C[C@@H](C)NCc1nncn1C(C)C 821495579 JAQHYDLGFAINQO-LLVKDONJSA-N 262.361 1.542 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc(O)nc1 584893813 WIAFRUCINQINAT-SSDOTTSWSA-N 260.297 1.618 0 50 CDAA CSCc1nc(CCNC(=O)c2cncn2C)cs1 584892146 QHVPNGGJHOXCLB-UHFFFAOYSA-N 296.421 1.712 0 50 CDAA COC(C)(C)CCNC(=O)c1c(C)ncnc1C 670461056 WGKKJZBDFRJPBC-UHFFFAOYSA-N 251.330 1.638 0 50 CDAA CC(C)N1C[C@@H](C)[C@@H](N[C@H]2CCN3CCCC[C@H]23)C1 685939654 NDYSVAOORRUXHO-FXUDXRNXSA-N 265.445 1.932 0 50 CDAA CC(=O)CC1(C(=O)N2CCN3C(=O)OCC[C@H]3C2)CCC1 1412683736 DUNKKAIVZVCKMS-LBPRGKRZSA-N 294.351 1.189 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)cc1F 131766296 MTNPTYVDXYCNQG-QWRGUYRKSA-N 286.372 1.634 0 50 CDAA CC1=C(C(=O)NC[C@H](C)Oc2cccnc2)OCCO1 952971082 QYONOBLYNPYAFX-JTQLQIEISA-N 278.308 1.243 0 50 CDAA C[C@H](CN(C)CCO)NCCc1cccc(F)c1 952968252 PDPACOGNQQEMLF-GFCCVEGCSA-N 254.349 1.270 0 50 CDAA OC[C@@H]1CCCN(CCNCc2ccc(F)c(F)c2)C1 952972049 YZHRQAOLHDVIDN-CYBMUJFWSA-N 284.350 1.759 0 50 CDAA Cc1cc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)ccn1 1553487505 VGUKUGROXFVHRE-CYBMUJFWSA-N 274.368 1.413 0 50 CDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1ncnc2sccc12 1565530319 QAZXKKNURLNDCJ-IELRGYKMSA-N 290.392 1.821 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1F 192554 VDNREHHSRSALOW-LLVKDONJSA-N 264.256 1.627 0 50 CDAA CC1CCC(O)(CN2CCN(Cc3ncc[nH]3)CC2)CC1 408413941 FOGWMDFLHHFBSE-UHFFFAOYSA-N 292.427 1.469 0 50 CDAA CN(CCN(C)C1CC1)C(=O)c1cc2nc[nH]c2cc1F 408517170 ARTAKLWURCQLNW-UHFFFAOYSA-N 290.342 1.868 0 50 CDAA CC(C)(C)OC(=O)N1CC(=O)CC12CCOCC2 701484366 IHYCVPHRMVCMQN-UHFFFAOYSA-N 255.314 1.746 0 50 CDAA COC[C@H](NC(=O)NC[C@@H]1CCc2nccn2C1)C1CC1 275572255 IYTXIAYDUZMCHY-AAEUAGOBSA-N 292.383 1.170 0 50 CDAA CC[C@@H](NC(=O)c1cnn(C(C)C)c1)[C@@H](O)C(F)(F)F 276139307 CDXFWWTUSQSBJL-NXEZZACHSA-N 293.289 1.896 0 50 CDAA COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1O 169805826 VASQYRREKLCCPQ-SFYZADRCSA-N 295.282 1.023 0 50 CDAA Cn1cnc(CN[C@@H](CCO)C2CCCCC2)c1 170616896 PUOCXOPKODGEFY-AWEZNQCLSA-N 251.374 1.841 0 50 CDAA O=C(CSCc1ccncc1)N[C@H]1CCOC1 170687765 GPNQTKICMASVMX-NSHDSACASA-N 252.339 1.220 0 50 CDAA O=C(NCCCCO)c1cc(-c2ccccc2O)[nH]n1 585120748 JAZBEMCKNLVXAT-UHFFFAOYSA-N 275.308 1.285 0 50 CDAA C[C@H]1CN(C(=O)c2ncccc2N(C)C)[C@H](C)CN1C 585135499 NJGSMNLFGZMHOG-NWDGAFQWSA-N 276.384 1.312 0 50 CDAA CC[C@H](C)OCC(=O)N1CC[C@H](C(=O)OC)[C@H](C)C1 187909138 RNEBRFDHMXPXCZ-WOPDTQHZSA-N 271.357 1.459 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1csnn1 189062272 WBBAEENNWNYHMF-SCZZXKLOSA-N 269.370 1.719 0 50 CDAA COc1cc(C(=O)NCCC(=O)O)ccc1Cl 190597402 CJSRYWLYZKYPEA-UHFFFAOYSA-N 257.673 1.553 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2c(C)ccn2C)C1 644121013 XZLXAVSDYPFFKS-NEPJUHHUSA-N 288.351 1.659 0 50 CDAA O=S1(=O)CC[C@@](O)(CNCc2cccc(C3CC3)c2)C1 574307050 SDJWGKKKJNYANL-OAHLLOKOSA-N 295.404 1.203 0 50 CDAA C=CC(=O)NCC1(N2CCSCC2)CCCC1 791324964 WZBYUGHMLZJBCG-UHFFFAOYSA-N 254.399 1.650 0 50 CDAA C[C@@H](C(=O)NCc1nc(C(=O)O)cs1)C1CCOCC1 192886274 GPXQVSIZDIQTIO-MRVPVSSYSA-N 298.364 1.520 0 50 CDAA O=C(O)[C@]1(C(=O)N2CCN3CCC[C@@H]3C2)CC=CCC1 653303519 QNHFRRJWRLKIJU-IUODEOHRSA-N 278.352 1.104 0 50 CDAA CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)C(F)=C(C)C)C1 583619077 UELVKLYIBVDRJH-ZJUUUORDSA-N 282.319 1.367 0 50 CDAA COC[C@@H](C)S(=O)(=O)NC(=O)c1cc(C)cc(F)c1 744137449 QFNGCWPEADHRMD-SECBINFHSA-N 289.328 1.229 0 50 CDAA CC1(C(=O)O)CN(Cc2ccc(-n3cncn3)c(F)c2)C1 1604502566 HAMMMTFKRDMRKJ-UHFFFAOYSA-N 290.298 1.313 0 50 CDAA COc1nscc1[C@@H](C)NC[C@H](O)CN1CCCCC1 1615551030 NVBRUTXCTPNNSK-NEPJUHHUSA-N 299.440 1.649 0 50 CDAA Nc1ccn2ncc(C(=O)N[C@@H]3COC[C@@H]3C3CC3)c2c1 1615553486 HGHCTBQRIIJYBM-CHWSQXEVSA-N 286.335 1.071 0 50 CDAA CCS(=O)(=O)NCc1cn(-c2c(C)cccc2F)nn1 1615572187 RWLURSFFQLMPCY-UHFFFAOYSA-N 298.343 1.154 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CN=c2cc[nH]cc2F)CC1 1506428922 RRXTZBLMVJXGLJ-XYPYZODXSA-N 265.332 1.607 0 50 CDAA Cc1nn2c(NC(=O)[C@H]3CC=CCC3)csc2nc1=O 1506411350 IWZTWYSTERCMHE-VIFPVBQESA-N 290.348 1.754 0 50 CDAA CCCCOC(=O)Nc1ccc(S(N)(=O)=O)cc1 1770711 XVHDQDLSUUHRPQ-UHFFFAOYSA-N 272.326 1.683 0 50 CDAA CCn1nnc2c1CCN(C(=O)OC(C)(C)C)C2 307650302 HKBXMGOMJLSNNS-UHFFFAOYSA-N 252.318 1.591 0 50 CDAA in-vitro CC(C)C[C@H](NC(=S)NC1CCCCC1)C(N)=O 12382112 KPSFAAJLUCGZOJ-NSHDSACASA-N 271.430 1.683 0 50 CDAA CNC(=O)c1cccnc1NCc1cnc(C)cn1 1704353189 SOOWGNRJNBZAAR-UHFFFAOYSA-N 257.297 1.152 0 50 CDAA CN1Cc2nnc([C@@H]3CCCNC3)n2-c2ccccc2C1=O 1772810283 KBRBJKUNMREKJB-LLVKDONJSA-N 297.362 1.320 0 50 CDAA CCOc1cccc(/C=C2/SC(=N)NC2=O)c1O 5006199 HBOYTBIWYKNBPT-RMKNXTFCSA-N 264.306 1.930 0 50 CDAA CC[C@@H](C(N)=O)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13715990 HBILTMYDZZXFCO-LBPRGKRZSA-N 284.381 1.333 0 50 CDAA C[C@H](Cc1ccc(F)cc1)NN1CCN(C)CC1 19169825 PTGVHUTXVYDRTI-GFCCVEGCSA-N 251.349 1.509 0 50 CDAA Cn1c(=N)n(C[C@H](O)c2ccco2)c2ccccc21 19790337 PJXUANKSZBRHQK-LBPRGKRZSA-N 257.293 1.786 0 50 CDAA Cn1ccnc1C(=O)NCc1csc(N2CCCC2)n1 1857681796 NYIYYQKXCZTYBO-UHFFFAOYSA-N 291.380 1.407 0 50 CDAA O=C1CC2(CCN(CCC(F)(F)F)CC2)OCCN1 1857682740 ZPSJITTVUIKIKW-UHFFFAOYSA-N 280.290 1.310 0 50 CDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 793686 AYMBVSQNDBSFNW-GFCCVEGCSA-N 271.272 1.931 0 50 CDAA in-vitro Cc1cnc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)nc1C 408171802 ODNUYGSSWWOIFV-MJBXVCDLSA-N 277.368 1.460 0 50 CDAA O=C(O)CN(C(=O)c1cc2c(F)cccc2[nH]1)C1CC1 238086490 OHVPROIJIZKEAT-UHFFFAOYSA-N 276.267 1.996 0 50 CDAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCO 5515507 VASQDOVKXLCCIG-ZETCQYMHSA-N 278.135 1.869 0 50 CDAA O=C(O)[C@@H]1C[C@H]1CN1CC[C@@H](Cc2nccs2)C1 903957858 QRQYWGIXQUXTNM-GARJFASQSA-N 266.366 1.728 0 50 CDAA C[C@@H](C(=O)Nc1nccnc1C1CC1)n1cncn1 906413220 VSEMFJRMSPNOKG-QMMMGPOBSA-N 258.285 1.145 0 50 CDAA O=C(NCc1ccc(O)nn1)[C@]1(c2ccccc2)CCCO1 820947377 BCRKOOICVHJGTH-MRXNPFEDSA-N 299.330 1.504 0 50 CDAA COc1cc(C(=O)Nc2cnn[nH]2)cc2c1O[C@@H](C)C2 935598529 QIWDRDGPMMMLLJ-ZETCQYMHSA-N 274.280 1.389 0 50 CDAA Cc1nonc1CN1C[C@@H](C(=O)O)[C@@H](c2ccccc2)C1 846288724 AVRBRCJFXGXDGS-CHWSQXEVSA-N 287.319 1.678 0 50 CDAA O=C(N=c1cc(-c2ccc(F)cc2)[nH][nH]1)[C@H]1CCOC1 1851810955 IJBYASHKSVCIJW-JTQLQIEISA-N 275.283 1.613 0 50 CDAA Cc1cc(NC(=O)N[C@@H]2C[C@@H]3C[C@@H](CO)C[C@@H]32)on1 1875277466 MVNMNPUBNAANHW-VPOLOUISSA-N 265.313 1.512 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 1875268327 WUDNVFHVFPRRPZ-ZQARSLAVSA-N 277.349 1.391 0 50 CDAA Cc1cc(C)nc(CNC2(CC(N)=O)CCOCC2)c1 1875271300 AKWZKDDXSROEQO-UHFFFAOYSA-N 277.368 1.213 0 50 CDAA O=C1C[C@H]2C[C@@H]1[C@H](C(=O)N=c1nc(C3CC3)[nH]s1)C2 1875268326 WUDNVFHVFPRRPZ-NBEYISGCSA-N 277.349 1.391 0 50 CDAA CC(C)(O)[C@@H](O)CN1CCO[C@H](c2cccc(F)c2)C1 1875276464 MPNVXAJJNJFRHX-KBPBESRZSA-N 283.343 1.331 0 50 CDAA C[C@H](NC(=O)C1(O)CC(c2ccccc2)C1)c1cnccn1 1875274412 JHAGNQPTUGXOOT-MKQDKFQKSA-N 297.358 1.963 0 50 CDAA CC[C@H](C)CN(C)C(=O)CSc1ncnc2[nH]cnc12 1875335546 SZZZYSQVYSBOQI-VIFPVBQESA-N 293.396 1.950 0 50 CDAA CC(C)C[N@]1C[C@@H]1COc1ccc(S(C)(=O)=O)cc1 1875380806 AKLIWKXNKNMLKT-IUODEOHRSA-N 283.393 1.809 0 50 CDAA C[C@@H](N[C@H](c1ccccc1)c1cnc[nH]1)c1cnnn1C 1875392537 HKJCDQWNIGILGP-IAQYHMDHSA-N 282.351 1.978 0 50 CDAA Cc1cccc([C@H]2C[C@H]2C(=O)NS(C)(=O)=O)c1 1875390305 CCVITFNTSLEFOD-GHMZBOCLSA-N 253.323 1.174 0 50 CDAA CN(C)CCCNS(=O)(=O)Cc1ccc(F)cc1 10111492 JZSYNTDQZVHCDU-UHFFFAOYSA-N 274.361 1.197 0 50 CDAA c1ccc2c(c1)OC[C@@H](c1noc(CCc3cnn[nH]3)n1)O2 1775987142 CSFMZJGEZJVILK-LBPRGKRZSA-N 299.290 1.485 0 50 CDAA COc1ccc(C(=O)Nc2ccnc3ncnn23)cc1 1776002334 GUYHEQYJIOJHQN-UHFFFAOYSA-N 269.264 1.385 0 50 CDAA Cc1ccc(C)c(NC(=O)N2CCCC2(CO)CO)c1 1776003033 RKUHUSBTWJTWKC-UHFFFAOYSA-N 278.352 1.655 0 50 CDAA OCCn1cc(-c2noc([C@@H]3CC=CCC3)n2)cn1 1776005565 GQTHBODVUGTLCV-SNVBAGLBSA-N 260.297 1.749 0 50 CDAA COc1cc(CN[C@H]2CCCCNC2=O)ccc1C 237235684 ISAUZFDWDGZMEJ-ZDUSSCGKSA-N 262.353 1.762 0 50 CDAA O=C(O)C1(C(=O)N2CCOC3(CCCC3)C2)CC1 154990561 YSRXLXKHEAEYNA-UHFFFAOYSA-N 253.298 1.023 0 50 CDAA NC(=O)[C@@]1(O)CCCN(Cc2ccc(Cl)c(F)c2)C1 285007904 YZTBNLDZXCBDBH-CYBMUJFWSA-N 286.734 1.291 0 50 CDAA Cn1cccc1C(=O)N1CCCC[C@@H]1c1nc[nH]n1 179356681 QOUTZUKHVDIDIJ-SNVBAGLBSA-N 259.313 1.511 0 50 CDAA Cc1cc(C)n([C@@H]2CCCN([C@H](C)C(=O)O)C2)n1 604774302 OKTZSQVAKCURDB-VXGBXAGGSA-N 251.330 1.610 0 50 CDAA Cc1ccc(O)cc1C(=O)N1CCO[C@@H](CC(=O)O)C1 312816333 SOTMUADFASGMSO-NSHDSACASA-N 279.292 1.016 0 50 CDAA C[C@H]1CCNC[C@H]1NC(=O)c1ccc(-c2cn[nH]c2)cc1 2325768562 YHTZXDXJYQUCLQ-XHDPSFHLSA-N 284.363 1.805 0 50 CDAA O=C([C@@H]1C=CCC1)N1CCC(c2nnc(O)o2)CC1 2325773485 HRLVMSRDCNUFKQ-SNVBAGLBSA-N 263.297 1.447 0 50 CDAA O=C1CCCc2cc(CNC(=O)[C@H]3C4CCN3CC4)ccc21 2325811360 RYUMTKAMXMUPGV-QGZVFWFLSA-N 298.386 1.916 0 50 CDAA CCNc1cnc(-c2noc(C3CC(F)(CN)C3)n2)cn1 2325862800 JFDWWGRTAOXGLV-UHFFFAOYSA-N 292.318 1.503 0 50 CDAA CC1CCC(O)(CNC2=NC[C@@H]3CC[C@@H](C)CN23)CC1 2325864574 SRQLPSMKZZSNCY-IQXANGCESA-N 279.428 1.987 0 50 CDAA Cc1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)s1 475865 LZMSPJFUNFTFCQ-SFYZADRCSA-N 269.326 1.676 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1nn2cccnc2c1Cl 1069959 ZBEYAOBLGIWZMD-QMMMGPOBSA-N 280.715 1.292 0 50 CDAA CCOc1ccccc1NC(=O)C[C@@H]1SCCNC1=O 2324349 QRRYMQPWIBJBLQ-LBPRGKRZSA-N 294.376 1.646 0 50 CDAA CCc1ccccc1NC(=O)C(=O)NCc1ccncc1 4856155 URIQHJPQLGQFIZ-UHFFFAOYSA-N 283.331 1.899 0 50 CDAA Cc1nnc(SCC(=O)Nc2ccccc2F)n1C 6699646 RDWAZYQFMSZUCI-UHFFFAOYSA-N 280.328 1.993 0 50 CDAA CN(C)c1cc(N2CCO[C@H](C(F)(F)F)C2)ncn1 71422484 DBGHMACCTSNEMM-QMMMGPOBSA-N 276.262 1.310 0 50 CDAA COc1ccccc1CCNC(=O)[C@@H]1C[C@@H]1C(=O)O 224722267 CIABMCSBMHBJRJ-MNOVXSKESA-N 263.293 1.075 0 50 CDAA C[S@@](=O)c1ccc(CC(=O)OCCc2cn[nH]c2)cc1 225389385 DHFKRNQXVOYNOI-HXUWFJFHSA-N 292.360 1.476 0 50 CDAA Cc1ccc([C@@H]2CN(C[C@@H]3[C@H]4CNC[C@H]43)C[C@H]2N(C)C)cc1 102444763 XTSYXNFJWKVXQO-ZWJWXYIHSA-N 299.462 1.790 0 50 CDAA Oc1nc(N2CC[C@]3(CCCOC3)C2)nc2n[nH]cc12 343164586 WUCYQCXQHBARKM-CYBMUJFWSA-N 275.312 1.065 0 50 CDAA CCOc1ccc(CN2CCC3(CC2)CNC(=O)C3)cn1 65410965 VIAQICZNUYMSMF-UHFFFAOYSA-N 289.379 1.582 0 50 CDAA Cc1cc(=O)c(OCC(=O)Nc2ccccn2)co1 409414744 WCIFFTWMEBMWJZ-UHFFFAOYSA-N 260.249 1.361 0 50 CDAA CS(=O)(=O)CC(=O)N[C@@H]1C[C@H]1C1CCCCC1 345492050 LKBQERHZKRWZNA-WDEREUQCSA-N 259.371 1.116 0 50 CDAA COCc1nc2ccccc2n1CC(=O)NC1CC1 32497914 MFLKSYKXEMSHOV-UHFFFAOYSA-N 259.309 1.461 0 50 CDAA CCOC(=O)N1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1 23282400 HLABMGJVARLIJR-RYUDHWBXSA-N 270.373 1.717 0 50 CDAA COCC(=O)NC[C@@H]1CCN(Cc2cc(C)ccc2C)C1 67697435 JJEXBNTYDUPUMD-HNNXBMFYSA-N 290.407 1.888 0 50 CDAA CC(C)c1cc(C(=O)NC[C@H](C)c2nncn2C)n[nH]1 279745077 KPAQHUQQBYYMLT-VIFPVBQESA-N 276.344 1.195 0 50 CDAA Cn1cc(CCC(=O)N2CCC(c3ccn[nH]3)CC2)cn1 125111972 VAOXDSNVQDOOFQ-UHFFFAOYSA-N 287.367 1.482 0 50 CDAA COc1cc(C(=O)N2[C@H]3COC[C@H]2C3)cc(OC)c1OC 328591572 OWJPZNJZTGSTPJ-GHMZBOCLSA-N 293.319 1.326 0 50 CDAA Cc1n[nH]c(C)c1-c1nccc(N2CCC[C@@H](O)C2)n1 215607969 QJJRJQOGSQJOHF-LLVKDONJSA-N 273.340 1.445 0 50 CDAA COC[C@H](C)C(=O)N1CCC[C@@H]1c1cc(C)on1 363382954 GQLIZJXGRFNQKL-JOYOIKCWSA-N 252.314 1.929 0 50 CDAA CC(C)c1nc(CN2CCN(CCCO)CC2)co1 215554145 ZBHFEYYEHDTUSM-UHFFFAOYSA-N 267.373 1.298 0 50 CDAA C[C@H]1CNCCN1C(=O)CCCOc1ccccc1F 126417425 YHCWKXOOZQWTNO-LBPRGKRZSA-N 280.343 1.805 0 50 CDAA C[C@H](C(=O)N1C[C@H]2C3CCC(CC3)[C@H]2C1)n1cncn1 71730289 RUXPYYGPMBKHDB-DQRRXLOISA-N 274.368 1.734 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 156232588 YSDXAPCEIBRMJI-IUODEOHRSA-N 287.407 1.069 0 50 CDAA Cc1cnn(C)c1CN(CCO)Cc1ccccc1 215017006 YPDUOHWNHOXXMZ-UHFFFAOYSA-N 259.353 1.723 0 50 CDAA O=C(NC[C@@H]1CCOC1)[C@@H](CO)c1ccc(F)cc1 240555664 GXBBWLOARYOZGY-GWCFXTLKSA-N 267.300 1.054 0 50 CDAA CC(C)c1cccc(C(=O)N2CC(S(C)(=O)=O)C2)n1 456970973 MVQZSLALQIYJJB-UHFFFAOYSA-N 282.365 1.074 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](N)C2)[C@@H]1CN 237513245 UGMYLEPVWSKQPS-FDYHWXHSSA-N 253.390 1.090 0 50 CDAA C[C@@H](O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 157778418 NMJATQRMJNQAFS-WBMJQRKESA-N 288.391 1.320 0 50 CDAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H](C(=O)O)C3)cc12 237721362 WKLMBPRHEDMHRG-SECBINFHSA-N 288.307 1.203 0 50 CDAA C[C@H]1[C@@H](Cc2ccccc2)CCN1CCC(=O)NC(N)=O 242288033 YKNNNHLOOXBZQG-GXTWGEPZSA-N 289.379 1.525 0 50 CDAA C[C@H]1NCCC[C@H]1C(=O)N=c1cc[nH]c2ccncc12 377531990 ZSXVTKKIEKKULH-GHMZBOCLSA-N 270.336 1.378 0 50 CDAA Cc1ccc(CNS(=O)(=O)c2c(N)noc2C)cc1 72240896 RAPCGZCCKFVUBI-UHFFFAOYSA-N 281.337 1.352 0 50 CDAA O[C@H]1COCCN(Cc2cnn(-c3cccc(F)c3)c2)C1 77299075 VJPPMXFOHDZYRM-OAHLLOKOSA-N 291.326 1.205 0 50 CDAA Cc1nnc2ccc(N3CC[C@@H]([C@H]4CCOC4)C3)nn12 378230182 GLBWKAYDUDJQEC-NEPJUHHUSA-N 273.340 1.296 0 50 CDAA Cc1cc(F)cc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 284525784 GKOIKTFIAXZLKW-BXKDBHETSA-N 264.300 1.328 0 50 CDAA CC(C)(CO)CNC(=O)N1CCC[C@H]1Cn1cccn1 426677412 HUEFMNVURABAKN-LBPRGKRZSA-N 280.372 1.076 0 50 CDAA CCCN(Cc1nccn1C)C(=O)N[C@H](C)COC 426716877 MFZDKHUSENNTCN-LLVKDONJSA-N 268.361 1.377 0 50 CDAA Cc1cscc1C(=O)N1CCN(C2CCOCC2)CC1 177041053 LLZAOUHNUVGEEB-UHFFFAOYSA-N 294.420 1.993 0 50 CDAA O=C(NCc1ccncn1)c1cc(F)c(F)cc1F 221418030 PSFPDUXOMPMNIQ-UHFFFAOYSA-N 267.210 1.824 0 50 CDAA CC1=NO[C@@](C)(C(=O)NCCc2nc(C(=O)O)cs2)C1 426490357 TVWFVOVKGDODRC-GFCCVEGCSA-N 297.336 1.055 0 50 CDAA Cc1cnn(CCCNC(=O)CCCN2CCCCC2)c1 95364281 GFHASVPLOLKYDB-UHFFFAOYSA-N 292.427 1.964 0 50 CDAA O=C1COc2ccc(C(=O)N[C@@H]3CCCOCC3)cc2N1 180161742 KMGFIRKDARWBBP-LLVKDONJSA-N 290.319 1.316 0 50 CDAA O=C([C@H]1CCNC1)N1CCO[C@@H](c2ccccc2F)C1 237879373 HXVUXPGRTVYVGQ-SMDDNHRTSA-N 278.327 1.335 0 50 CDAA O=S1(=O)CC[C@@H](CNc2nnc(C3CCC3)o2)C1 95388930 NDWIVOBULWDMBK-QMMMGPOBSA-N 271.342 1.184 0 50 CDAA COCc1nc(C)c(C(=O)N2CC[C@](C)(O)C2)s1 179030431 YFDMFWQIERAQKT-LBPRGKRZSA-N 270.354 1.195 0 50 CDAA CCOC(=O)[C@H](C)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 239275076 BDLFYGLOFFAQCV-FXBDTBDDSA-N 285.727 1.456 0 50 CDAA CN1CCCN([C@H](C(=O)O)c2ccc3c(c2)OCO3)CC1 95372494 HDKMNYHJUHTWFB-AWEZNQCLSA-N 292.335 1.179 0 50 CDAA CN(C)CCOc1ccc(CN2CCC[C@H](N)CC2)cc1 97732736 ZMRCWMWGRPVXBI-INIZCTEOSA-N 291.439 1.940 0 50 CDAA O=C(CCCn1cccn1)N[C@@H](CO)c1ccccc1 230210413 AXPHWRYFSYZOGX-AWEZNQCLSA-N 273.336 1.513 0 50 CDAA O=C1CCCN1CC(=O)N1CCC[C@](CO)(CC2CC2)C1 91586901 LRARMQANVROUCT-INIZCTEOSA-N 294.395 1.010 0 50 CDAA O[C@H]1C[C@@H](c2cc(NCCc3cn[nH]c3)ncn2)C1 244715897 LEFLAJCANXAJJH-PHIMTYICSA-N 259.313 1.093 0 50 CDAA CCn1ccnc1[C@H](C)NC(=O)c1cccc(O)n1 622083840 NFRZFPUJIXRMHM-VIFPVBQESA-N 260.297 1.495 0 50 CDAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@]1(F)CCNC1 299739185 LQMIKYNNNXMUTA-WCQYABFASA-N 286.734 1.191 0 50 CDAA Cn1nccc1-c1ccc(S(=O)(=O)CCC(=O)O)cc1 534635598 HWUYKLSHVIGHMY-UHFFFAOYSA-N 294.332 1.336 0 50 CDAA COCc1noc(CNC(=O)[C@H]2C(C)=C2c2ccccc2)n1 534669317 CSYKUDAAZFAOLF-HNNXBMFYSA-N 299.330 1.936 0 50 CDAA CC(C)(CN1CC[C@@]2(O)CCCC[C@H]2C1)N1CCOCC1 638106200 NCSSOYADHDPGPZ-RDJZCZTQSA-N 296.455 1.724 0 50 CDAA CC(C)c1nc(CNC(=O)CCc2csc(N)n2)no1 827822384 DVQJJTZDELHTIJ-UHFFFAOYSA-N 295.368 1.481 0 50 CDAA CN(CC[C@@H]1CCS(=O)(=O)C1)CCC1(O)CCCC1 823693061 NWZQIBLOLXRXOM-CYBMUJFWSA-N 289.441 1.438 0 50 CDAA CCc1nc(CCn2cnc3cccc(F)c3c2=O)no1 584896274 FLPXAYRQXWFGIR-UHFFFAOYSA-N 288.282 1.724 0 50 CDAA N[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCOc1ccccc1F 670439273 AMDGBPDLLNYQOG-BVIHXZOGSA-N 290.338 1.470 0 50 CDAA O=C(CN1CCCCCC1)NC[C@H]1CC[C@H](CO)CC1 670441100 PERYUGFHAUCUSS-SHTZXODSSA-N 282.428 1.777 0 50 CDAA O=C(O)CCN1CC[C@H](COCc2ccccc2)C1 238164170 TZLOGDQXXDJCAV-AWEZNQCLSA-N 263.337 2.000 0 50 CDAA CCOC(=O)CN(C)C(=O)CCc1cccc(O)c1 1334856643 HGEXQRIIMAWKHH-UHFFFAOYSA-N 265.309 1.346 0 50 CDAA Cc1cccc(OC2CN(C(=O)CCS(C)(=O)=O)C2)c1 952981560 NMQSOFDWTRAHQO-UHFFFAOYSA-N 297.376 1.019 0 50 CDAA CCOC(=O)CNC(=O)N1CCC[C@H]1c1ccco1 15837948 WOUZLJVWFXYLSL-JTQLQIEISA-N 266.297 1.689 0 50 CDAA Cc1cc(CN2C[C@H]3COC[C@@]3(C(=O)O)C2)ccc1F 1549339616 ZBADIFLPKZJORE-WFASDCNBSA-N 279.311 1.667 0 50 CDAA CCc1cc(NC(=O)N2CCO[C@@]3(CCOC3)C2)n(C)n1 185422951 GCHFFGKKOWBEBK-AWEZNQCLSA-N 294.355 1.006 0 50 CDAA C[C@H]1CCN(C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 632645970 ZCDTXWPKCQYOGN-IUCAKERBSA-N 291.277 1.433 0 50 CDAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1c[nH]nc1C 275563455 NZVWDQZLCYKHIH-SWLSCSKDSA-N 289.383 1.802 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(=O)n(C)c1 277142601 CLTCBKKHGOPVPW-RYUDHWBXSA-N 264.325 1.529 0 50 CDAA CO[C@H]1CCN(C(=O)Nc2cc([C@@H]3CCCO3)nn2C)C1 279013122 OSOJVGOHVLLJMJ-JQWIXIFHSA-N 294.355 1.524 0 50 CDAA CCS[C@@H]1CCCC[C@H]1NCCNS(C)(=O)=O 170605262 HGVJWDMTLMLQOB-GHMZBOCLSA-N 280.459 1.190 0 50 CDAA C[C@@H]1CC(C)(C)C[C@](CO)(NC[C@H](O)Cn2cccn2)C1 170652559 ODVWOYIHWYTJEW-IJEWVQPXSA-N 295.427 1.411 0 50 CDAA CC[C@@H](C)NC(=O)CCSc1ncnc2[nH]cnc12 585089450 NTIAOKCFBMZJDH-MRVPVSSYSA-N 279.369 1.750 0 50 CDAA O=C(NC1(CO)CCSCC1)[C@@H]1CC[C@@H]2CCCCN21 585122214 QWNZUBFGTWXJAR-STQMWFEESA-N 298.452 1.378 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1cnc(N(C)C)nc1 189717034 SVTAOUDMHFIXCI-ONGXEEELSA-N 264.329 1.296 0 50 CDAA COC[C@@H](O)CN[C@H](C)c1cccc(-n2ccnc2)c1 189895329 NVCDICBIEDWDSM-DOMZBBRYSA-N 275.352 1.530 0 50 CDAA CCS[C@@H]1CCCCN(C(=O)[C@@H]2CNC(=O)N2C)C1 585132368 UZGAVHVVNBRIAA-MNOVXSKESA-N 285.413 1.144 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2c[nH]nc2C)C1 643773162 IHNVXTCKOVYGDX-NEPJUHHUSA-N 261.329 1.403 0 50 CDAA COC(=O)[C@@H](C)N[C@@H](C)Cn1cc(Br)cn1 193106704 AWWPLMGNMLPHDF-JGVFFNPUSA-N 290.161 1.185 0 50 CDAA C[C@H]1CCNC(=O)[C@@H]1Nc1ncc(Br)cn1 193523437 CJUZMCSAKMKEHO-POYBYMJQSA-N 285.145 1.176 0 50 CDAA NC(=O)CC1(CNCc2cnc(C3CC3)s2)CC1 574980138 KVFMYYBBXGPMNW-UHFFFAOYSA-N 265.382 1.766 0 50 CDAA O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C(F)F 194816527 OOWNSQVUCRSZPV-NEPJUHHUSA-N 284.306 1.003 0 50 CDAA COC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 56912 ZNBUXTFASGDVCL-MRVPVSSYSA-N 259.302 1.531 0 50 CDAA biogenic,in-vitro CC1(NC(=O)[C@@H](N)Cc2ccncc2)CCCCC1 1615055372 LUYVUZYDZYUONL-ZDUSSCGKSA-N 261.369 1.790 0 50 CDAA COc1ccccc1CC(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615000641 ANYGLUBLQITGAZ-CRAIPNDOSA-N 296.370 1.979 0 50 CDAA Cc1cccc(CN(CCC(=O)O)Cc2cn(C)nn2)c1 1615553444 RTHIIDNQJIAJQA-UHFFFAOYSA-N 288.351 1.600 0 50 CDAA COc1ccc(-n2cccn2)c(CN2C[C@H](O)[C@@H](F)C2)c1 1616106881 VHVZEKGUXSAZRQ-ZFWWWQNUSA-N 291.326 1.396 0 50 CDAA c1ccc(OC2CN(CC[C@@H]3COCCO3)C2)cc1 1775979320 ZSIVSJPGCNEVNE-CQSZACIVSA-N 263.337 1.555 0 50 CDAA CS(=O)(=O)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 285107 ZDHBFBNOTDGAHU-UHFFFAOYSA-N 298.452 1.388 0 50 CDAA OC[C@@]1(O)CCCN(C2CSCCSC2)CC1 1506428089 LZOWAQZTIWAOTK-GFCCVEGCSA-N 277.455 1.044 0 50 CDAA Cc1nc([C@@H](C)Nc2ncc(F)c(N(C)C)n2)n[nH]1 1529191904 ISYPYERCSSPOLE-ZCFIWIBFSA-N 265.296 1.281 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CCOC1)c1ncc(C(=O)O)s1 621608860 APSPTYXSWWVEJW-RNFRBKRXSA-N 270.310 1.055 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCNC[C@@H]1C 126400817 HPGQGJIUHVJNKC-JTQLQIEISA-N 265.357 1.162 0 50 CDAA NC[C@@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1 237856984 VBKUNTRZBVQSOQ-NSHDSACASA-N 260.341 1.307 0 50 CDAA Cc1ccccc1CC(=O)N(CCO)Cc1[nH]cnc1C 1704330436 JEDGWLQNLCDHKM-UHFFFAOYSA-N 287.363 1.590 0 50 CDAA CCCN(CC(=O)O)S(=O)(=O)c1cnc(C(C)C)[nH]1 681585329 ZPWCRTFVGIEWAI-UHFFFAOYSA-N 289.357 1.018 0 50 CDAA Cc1cnn([C@H](C)C(=O)NCc2cccn3nccc23)c1 1772807129 JJXRQLIJKFPPSE-GFCCVEGCSA-N 283.335 1.717 0 50 CDAA COc1ccc(CN(C)C[C@@H]2CCC(=O)N(C)C2)cc1O 1775980961 DZXIRPIGWPSTBA-ZDUSSCGKSA-N 292.379 1.701 0 50 CDAA Cc1cccc(OC2CN(C[C@H]3CCC(=O)N(C)C3)C2)c1 1775978450 NXQBRAKLBOITQU-AWEZNQCLSA-N 288.391 1.926 0 50 CDAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)C(F)(F)F 5273973 ZYMGRJXIRUWDLX-SECBINFHSA-N 275.226 1.449 0 50 CDAA CN(C)C(=O)CSc1nc2ccccc2c(=O)[nH]1 18178947 IICJSMLCYVZSHL-UHFFFAOYSA-N 263.322 1.103 0 50 CDAA COc1ccccc1OCCCN1CCOCC1 19607306 CUIJOCTZARYROK-UHFFFAOYSA-N 251.326 1.796 0 50 CDAA OCCN1CCN(Cc2cc(F)ccc2F)CC1 19608698 WCAGRGIRZNUFEQ-UHFFFAOYSA-N 256.296 1.075 0 50 CDAA c1cn(C[C@H]2CCCN(c3ncc4cn[nH]c4n3)C2)cn1 1857667004 NTJXYYCSUOUKNM-LLVKDONJSA-N 283.339 1.466 0 50 CDAA Cc1c(C(=O)N[C@H]2CCCCNC2=O)nc2ccccn12 1857699156 PQBSGGLHULBRTJ-NSHDSACASA-N 286.335 1.041 0 50 CDAA Cc1cccc(-c2nccn2[C@@H]2CC[C@@H](O)[C@@H]2O)n1 1857736980 SPUNNEZBRPKZLN-JHJVBQTASA-N 259.309 1.310 0 50 CDAA Cc1ccncc1N1CCN(C(=O)c2cscn2)CC1 225598980 ZKKFRJCUCPVHSM-UHFFFAOYSA-N 288.376 1.809 0 50 CDAA O=C(Nc1nnc(-c2cnccn2)o1)[C@H]1CC=CCC1 1875247122 KFRGSOSTQMUBNS-VIFPVBQESA-N 271.280 1.821 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)O 2244238 SRHQPVLBHXDZGC-LBPRGKRZSA-N 294.351 1.666 0 50 CDAA in-vitro Cc1noc(CCNC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)n1 225419856 HGYNVWWEEAVRPZ-GAIPPQHRSA-N 261.325 1.329 0 50 CDAA O=C(Cc1ccc(-n2cnnc2)cc1)N1CC[C@H]1C1CC1 521427876 YWSGJBVKSONFRY-HNNXBMFYSA-N 282.347 1.821 0 50 CDAA Cc1cc(C(=O)N[C@H](C(=O)O)c2cc(F)ccc2F)n[nH]1 738325771 AUJGYRNBNZDRHA-NSHDSACASA-N 295.245 1.552 0 50 CDAA CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CO)c1ccccc1 242273797 YFYHKQCQXMXAFD-RRFJBIMHSA-N 292.379 1.977 0 50 CDAA Cc1ccccc1OCCNC(=O)N1C[C@H](F)C[C@H]1CO 346749422 MNNRYEFESAXLMI-OLZOCXBDSA-N 296.342 1.488 0 50 CDAA C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@H]1CCOC1 153638871 FJWXWWDZJNSSKS-QEJZJMRPSA-N 292.379 1.314 0 50 CDAA COCc1ccc(C(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)o1 262803431 OKRAEGVJPXAGIX-JOYOIKCWSA-N 297.307 1.036 0 50 CDAA C/C(Cl)=C/C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 901044436 SMTHOOZUZXVAEQ-WMDQRADGSA-N 256.733 1.399 0 50 CDAA CCCc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)o1 1704314402 YXPLBVBYLHCGOD-NEPJUHHUSA-N 278.352 1.179 0 50 CDAA CN1CCC[C@]2(CO)CCN(c3ccncc3F)C[C@@H]12 1704337480 SQRNSHXFGOJITJ-HUUCEWRRSA-N 279.359 1.504 0 50 CDAA C[C@@H]1C[C@H]1NC(=O)c1cc(-c2cccnc2)nn1C 906540533 KPZWDNUBEMNTOY-MWLCHTKSSA-N 256.309 1.620 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)C[C@@H]1CC(=O)Nc2ccccc21 932591171 YGBMOQDOSAKNCQ-NSHDSACASA-N 298.346 1.884 0 50 CDAA CS(=O)(=O)c1ccc2c(=O)c3c([nH]c2c1)CCCC3=O 1857783322 BUSFAPIXCLYGTJ-UHFFFAOYSA-N 291.328 1.451 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)Cc1ccccc1N(C)C 861743983 RMRXLCMXCYRJKZ-UHFFFAOYSA-N 289.379 1.355 0 50 CDAA CC(C)C[C@H](N)C(=O)N(C)CCc1nccs1 236645853 BVIYCFOGAUOHGM-JTQLQIEISA-N 255.387 1.517 0 50 CDAA Cc1ccc2c(c1)C=C(C(=O)N1CC[C@H](C(=O)O)C1)CO2 872717392 JZUARTWWVBFHMG-NSHDSACASA-N 287.315 1.704 0 50 CDAA CCC1CCC(CNC(=O)[C@]2(N)CC[C@H](O)C2)CC1 952884275 XTXQQAOIFVBRIA-DVTFPSANSA-N 268.401 1.561 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H](C)c1ccc(F)c(F)c1 1875273346 RAXIWOWOQPJQON-CDAZIORVSA-N 283.274 1.914 0 50 CDAA C=CC(=O)N1CCCc2cc(C(=O)N(C)C)ccc21 1875366491 OMNIHUJINIACFI-UHFFFAOYSA-N 258.321 1.854 0 50 CDAA CN(C)C/C=C/C(=O)NC1(Cn2cccn2)CC(F)(F)C1 1875377132 TZKFVHHKKWHRBQ-HWKANZROSA-N 298.337 1.285 0 50 CDAA C[C@H]1CCN(c2nc(N)nc(N)n2)[C@@H]1c1ccccc1 884642251 FBQFVEPHJQFBRY-ONGXEEELSA-N 270.340 1.624 0 50 CDAA Cc1cnn([C@H]2CCCN(c3nc(N)nc(C4CC4)n3)C2)c1 892388268 YZJQSXHSCNMZFS-LBPRGKRZSA-N 299.382 1.678 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2NCCOc3ccccc32)n[nH]1 1775487349 HMULGFLLQFISPL-CQSZACIVSA-N 286.335 1.058 0 50 CDAA CC(=O)NC[C@H]1CC[C@@H](c2n[nH]c(C3CC3)n2)O1 1775959689 PKQBQVNCJCUTPP-ZJUUUORDSA-N 250.302 1.038 0 50 CDAA Cc1cnc(C(=O)N2C[C@@H](N)C3(CCC3)C2)cc1C 1775962184 XYULEDCVWJWAQI-CYBMUJFWSA-N 259.353 1.652 0 50 CDAA C=CC(=O)N[C@H]1c2cc(OC)ccc2CC[C@@H]1OC 1775997289 FBEIQEVVZUUJCF-ZFWWWQNUSA-N 261.321 2.000 0 50 CDAA CNc1ncc(C(=O)Nc2cnn(CCOC)c2)s1 136601692 UMOVYKPTYQAOAU-UHFFFAOYSA-N 281.341 1.280 0 50 CDAA C1=C[C@H]2C[C@H]1C[C@H]2CNCCOC[C@@H]1CCCO1 156142229 OYXSPBCNEATJKV-AJNGGQMLSA-N 251.370 1.984 0 50 CDAA COc1cccc(OC[C@@H](O)CNC2CCSCC2)c1 32576320 FJOCIBSNHFCDJX-ZDUSSCGKSA-N 297.420 1.920 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCOC[C@@H]2C2CC2)s1 263545252 SYVVMKHGEGVDCC-SECBINFHSA-N 281.333 1.697 0 50 CDAA CCn1nc(C)c(CN(C)[C@H](C(=O)O)C2CC2)c1C 635019392 WIAOMCSVVVZVQP-ZDUSSCGKSA-N 265.357 1.815 0 50 CDAA COCc1ccc(CN2C[C@H](OC)C[C@H]2CO)cc1 339180244 DVALEFJJLYFDAP-LSDHHAIUSA-N 265.353 1.415 0 50 CDAA CCOCC(=O)NCc1ccc2nsnc2c1 670461952 RLRSZPLLBJVTBJ-UHFFFAOYSA-N 251.311 1.344 0 50 CDAA COC(=O)c1ccnc(NC(=O)c2ccc(OC)nc2)c1 358240257 KYPPDLVSVHBVHV-UHFFFAOYSA-N 287.275 1.524 0 50 CDAA O=c1/c(=C/c2ccco2)sc2nnc(-c3ccccc3)n12 39171 PQUMGTUERUYLEP-XFXZXTDPSA-N 295.323 1.959 0 50 CDAA Oc1nnc(-c2nnc3n2CCOC3)c2ccccc12 2325756001 BDDNIZJVQRXRFS-UHFFFAOYSA-N 269.264 1.124 0 50 CDAA CCn1cc(Cn2ccn(-c3ccc(C)cc3)c2=O)nn1 2325772466 ZDIDLOAIOWJXEN-UHFFFAOYSA-N 283.335 1.607 0 50 CDAA Cc1ccccc1-c1nsc(N2C[C@H]3[C@H](N)[C@H]3C2)n1 2325772716 UKIVMKQZAJLGMT-GDNZZTSVSA-N 272.377 1.907 0 50 CDAA CC[C@@H](C)CC(=O)C(=O)N[C@@H](C)C(=O)NCC(C)C 2325813768 VNBIQCHIWNLXKH-MNOVXSKESA-N 270.373 1.269 0 50 CDAA CCCc1nc(Sc2ccc3ncnc(O)c3n2)n[nH]1 2325868555 AXXSTZBOUDQCHV-UHFFFAOYSA-N 288.336 1.952 0 50 CDAA CC(C)c1nccnc1NC(=O)[C@@H]1CN(C)C[C@H](C)O1 906425046 SVHROQRHZGXBCA-QWRGUYRKSA-N 278.356 1.258 0 50 CDAA CCOC(=O)CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C 194708 GXVFFIRVKMUHNF-UHFFFAOYSA-N 281.308 1.944 0 50 CDAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1F 227849 XHVYVMWZPKQRSN-JTQLQIEISA-N 263.268 1.876 0 50 CDAA Cc1cccc(-n2nc3c([n+]2[O-])CCc2nonc2-3)c1C 317740 WEFQOSYUTHLHLD-UHFFFAOYSA-N 283.291 1.271 0 50 CDAA Cc1cccc(Nc2ccncc2S(N)(=O)=O)c1 334942 ZXPCUGWAKUIOOF-UHFFFAOYSA-N 263.322 1.781 0 50 CDAA in-vitro Nc1cc(N)nc(SCC(=O)Nc2ccc(F)cc2)n1 422481 IINIECJJDMSTBR-UHFFFAOYSA-N 293.327 1.511 0 50 CDAA CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 1793687 ZWCLEVBHABYQAI-GFCCVEGCSA-N 285.365 1.917 0 50 CDAA COc1ccc(F)c(F)c1CN1C[C@H]2C(=O)OC[C@H]2C1 2356136266 MSFDEAILTKNDLE-RKDXNWHRSA-N 283.274 1.578 0 50 CDAA COC(=O)[C@](O)(c1ccc(O)cc1O)C(F)(F)F 2478887 UICJHIMRJRMESD-SECBINFHSA-N 266.171 1.021 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccncc1 2572735 BYTKQINZDKLYGV-NSHDSACASA-N 280.324 1.992 0 50 CDAA COc1cc2c(cc1CN1C[C@H]3C(=O)OC[C@H]3C1)CCC2 2356158643 SWHZHLFWTCDHNI-HUUCEWRRSA-N 287.359 1.789 0 50 CDAA CC1(C)CC(NC(=O)/C=C/C(=O)O)CC(C)(C)N1 2896714 DXVHYEOUNWCLIH-AATRIKPKSA-N 254.330 1.053 0 50 CDAA COCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1 9875648 FQKPDTCYZWDNMA-UHFFFAOYSA-N 297.786 1.818 0 50 CDAA CN1CCN(CCNC(=O)c2cccc(Cl)c2)CC1 20818976 LRTRTLHBJWJKDV-UHFFFAOYSA-N 281.787 1.317 0 50 CDAA O=C(Cc1ccc(F)cn1)OCCNc1cccnn1 225528479 FLHOQTWQVXYCJF-UHFFFAOYSA-N 276.271 1.209 0 50 CDAA CNC(=O)[C@@H]1CCCN1c1cc(C)nc(-c2cccnc2)n1 112964834 DDGYBWYTJUHZBX-ZDUSSCGKSA-N 297.362 1.562 0 50 CDAA CCC[C@H](NCCCn1cc(CO)nn1)[C@@H]1CC1(C)C 417324561 ALXARJJPRNBFAO-KBPBESRZSA-N 280.416 1.965 0 50 CDAA Fc1cccc2c(N3CC[C@@]4(CCNC4)C3)ncnc12 420224417 ASBSMKJNTSRFLX-OAHLLOKOSA-N 272.327 1.959 0 50 CDAA Cc1cccc(Cl)c1OCCNC(=O)[C@H]1CNC(=O)C1 20910537 FQMKOQSJMYVXMR-SNVBAGLBSA-N 296.754 1.280 0 50 CDAA CCCN1CCC(NCCCn2nc(C)nc2C)CC1 65461461 HEIGJYMCPWMTAE-UHFFFAOYSA-N 279.432 1.749 0 50 CDAA CONC(=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 134756925 WFOGRYUVSWMKPJ-UHFFFAOYSA-N 290.241 1.798 0 50 CDAA Cc1ccccc1OC[C@H](O)CN1C[C@H](C)OC[C@H]1C 248012744 JKNAKKUTSMLKBI-QLFBSQMISA-N 279.380 1.844 0 50 CDAA C[C@@H]1CN(C(=O)CN[C@H](C)[C@@H](C)n2cccn2)C[C@@H](C)O1 248245022 QADKZEOOKQKYHJ-AAVRWANBSA-N 294.399 1.058 0 50 CDAA CN1CCC[C@H]1CCn1ccc2[nH]c(=O)c(C#N)cc2c1=O 67513844 SHJODVAMZKLDJY-LBPRGKRZSA-N 298.346 1.046 0 50 CDAA CCc1cc(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)n(C)n1 328802082 AQXMJADWHMVZTJ-JTQLQIEISA-N 299.396 1.136 0 50 CDAA COc1cccc(-c2n[nH]c(-c3cnccn3)n2)c1 26507860 VBSNIWLAYCAIMY-UHFFFAOYSA-N 253.265 1.937 0 50 CDAA O=C1CCCc2[nH]c(=O)c(C(=O)NC3CCCC3)cc21 29568856 XRLJLZMMFWGRIO-UHFFFAOYSA-N 274.320 1.566 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1sccc1OC 122582720 MXKJTHCGZRSMCQ-SECBINFHSA-N 254.355 1.581 0 50 CDAA Cc1cc(-c2cccc3c2O[C@H](CN)C3)nc(N(C)C)n1 67741941 CZCZUXJZRRLANL-LBPRGKRZSA-N 284.363 1.780 0 50 CDAA O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1cc(C2CC2)on1 252527968 DVQNAUDUYWZIEJ-VXGBXAGGSA-N 275.352 1.909 0 50 CDAA COc1cccc(CN[C@@H](C)c2nnnn2C2CC2)c1 252506022 VWNTYEFOEFTOJA-JTQLQIEISA-N 273.340 1.867 0 50 CDAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@H]1c1ccco1 252511618 ISHYXLRWOVFKRZ-WRWGMCAJSA-N 276.336 1.496 0 50 CDAA CCc1ccc(CN2CCN(C[C@@H](C)O)C[C@H]2C)o1 252537672 MAIUAAOVLDGJSY-CHWSQXEVSA-N 266.385 1.729 0 50 CDAA COc1ncccc1N1C(=O)[C@H]2CCCCN2C1=O 328594769 BIRFGOFKJNJEPU-SNVBAGLBSA-N 261.281 1.411 0 50 CDAA CC(=O)N1CC[C@H](CN=c2[nH]c3ccccc3o2)C1 328593457 XVHQRFRYSDOLEG-LLVKDONJSA-N 259.309 1.530 0 50 CDAA O=C(N=c1cccn[nH]1)N1CCC[C@H](OCC2CC2)C1 328588642 SUXXTJBOEIFIAY-LBPRGKRZSA-N 276.340 1.321 0 50 CDAA C[C@]12CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C[C@H]1C2(F)F 329174012 LSCSMQSUBDTPSF-KDDOJWQBSA-N 296.321 1.413 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)sn1 328622553 BIDHVCGEUZUVBU-BXKDBHETSA-N 292.364 1.901 0 50 CDAA O=C(c1cnsn1)N1CCC(N2CCCCC2=O)CC1 121591994 UTGKOBZEVUCOCL-UHFFFAOYSA-N 294.380 1.155 0 50 CDAA CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1c(C)n[nH]c1C 253425435 KQBOELZLVARATJ-YMTOWFKASA-N 267.373 1.482 0 50 CDAA Fc1ccc(N2CCC(Cn3ccnn3)CC2)nc1 253415569 ZRTPVVMNLYSEQR-UHFFFAOYSA-N 261.304 1.729 0 50 CDAA O=C(Nc1ccc(NC(=O)[C@@H]2CCNC2)cc1)NC1CC1 237923210 LGQCMSBYPHEACN-SNVBAGLBSA-N 288.351 1.519 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCC(c2cnc[nH]2)CC1 360662175 NMUAKEKNEJDWKE-HNNXBMFYSA-N 285.347 1.849 0 50 CDAA Fc1ccc(/C=C/CN2CC(N3CCOCC3)C2)cc1 215073086 UWEWXXICRTUSAB-OWOJBTEDSA-N 276.355 1.855 0 50 CDAA CN(C)c1noc(CCC(=O)N2CCC=C(F)C2)n1 330279037 QKQIMHXZDTTWBS-UHFFFAOYSA-N 268.292 1.154 0 50 CDAA CN(C)c1ccnc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1 171088847 MCMCGGJXBRLEAH-GFCCVEGCSA-N 299.378 1.891 0 50 CDAA Cc1nnc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)o1 72153670 RSRODXRSBMBQIV-OAHLLOKOSA-N 299.374 1.829 0 50 CDAA CN(C)C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CCC2)CC1 335130637 DYSQGQYBYVZBOC-QWHCGFSZSA-N 294.399 1.184 0 50 CDAA CC(C)n1cncc1CN1CCN(c2ncccn2)CC1 216034398 RNTBCCFMIPSOLN-UHFFFAOYSA-N 286.383 1.576 0 50 CDAA C[C@@H]1CCCN(C(=O)Cc2cccnc2)[C@H]1C(=O)O 235315507 WHRJKROFHKWQFE-ZWNOBZJWSA-N 262.309 1.336 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](N2CCC[C@H](C(=O)O)C2)C1 39363580 JYXSUUXDUDDEIX-NWDGAFQWSA-N 298.383 1.792 0 50 CDAA COc1ccccc1OC1CN(CC(C)(C)N)C1 72146112 RUIPLXNITBIPKI-UHFFFAOYSA-N 250.342 1.496 0 50 CDAA COc1cccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)n1 280376713 VTKDGWXTTCLWST-SWLSCSKDSA-N 278.352 1.470 0 50 CDAA CCn1cnnc1[C@@H](C)Nc1cc(C)nc(N(C)C)n1 32547833 DFESDCMFPOXLFP-SNVBAGLBSA-N 275.360 1.636 0 50 CDAA CC(C)[C@@H]1CN(Cc2ncc[nH]2)CCC(=O)N1CC1CC1 71711887 OHQRTXXIQLCYMT-AWEZNQCLSA-N 290.411 1.879 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC23CCOCC3)cc1 72267063 OSRAUQFHLRKEPJ-UHFFFAOYSA-N 267.350 1.549 0 50 CDAA N[C@@H]1CC[C@@H]1NC(=O)C1=Cc2ccccc2OC=C1 72135219 BBPIXNQQGBUANV-OLZOCXBDSA-N 256.305 1.582 0 50 CDAA CCc1cc(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)[nH]n1 127192985 ISCXBBVATMEIPC-GFCCVEGCSA-N 289.339 1.600 0 50 CDAA CS(=O)(=O)N(CC(=O)O)c1ccc(C(F)(F)F)cc1 76863307 INZLLMGSIMBLQJ-UHFFFAOYSA-N 297.254 1.556 0 50 CDAA O=C(c1cc(C2CC2)on1)N1CC[C@@H](N2CCCC2)C1 171443168 XSCZOUNHRCIZDD-GFCCVEGCSA-N 275.352 1.862 0 50 CDAA CN(C)CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 335937750 LDNIIFUOVCXSNU-CHWSQXEVSA-N 266.316 1.022 0 50 CDAA O=C1NC2(CCNCC2)C(=O)N1Cc1cc2ccccc2o1 77390483 LVDXCCLGIIHXAJ-UHFFFAOYSA-N 299.330 1.607 0 50 CDAA C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCNC(=O)C1 334200313 NZQZTFNZROHLOO-VHSXEESVSA-N 278.377 1.720 0 50 CDAA CCCN1CCCN(C(=O)Cc2ncccc2F)CC1=O 281136084 HGSXFTDEMLBDJC-UHFFFAOYSA-N 293.342 1.234 0 50 CDAA CC(=O)N[C@H](C(=O)NCCCc1cccnc1)C(C)C 221217386 UHNWDNPGUFRFCU-AWEZNQCLSA-N 277.368 1.291 0 50 CDAA O=C(c1ccc2nnc(O)n2c1)N1CCc2cc(F)ccc21 338220555 ZAJAPVNJMCEIAU-UHFFFAOYSA-N 298.277 1.777 0 50 CDAA Cc1cc(CNC(=O)[C@H]2CCC[C@@H](O)C2)cc(C)n1 223259806 RMHOLBKTBIRDSI-UONOGXRCSA-N 262.353 1.866 0 50 CDAA CSCc1cc(C(=O)N2CC[C@@H](N)C2)ccc1F 132451108 HCOBXAXTQMVGBW-LLVKDONJSA-N 268.357 1.862 0 50 CDAA CC(=O)c1ccc(C(=O)NCCN2CCCOC2=O)s1 223054504 NEVZXGFTCZSNNE-UHFFFAOYSA-N 296.348 1.523 0 50 CDAA CC(C)(C(=O)N[C@@H]1CCc2c[nH]nc2C1)N1CCCC1 426517542 GOWYNXRBKWRACS-GFCCVEGCSA-N 276.384 1.258 0 50 CDAA CCC(=CC(=O)N1C[C@H](OC)C[C@H]1c1ncn[nH]1)CC 285662586 GNMUZNYADDDBRH-NEPJUHHUSA-N 278.356 1.840 0 50 CDAA COc1cccc(CCC(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1 286649362 CPTHABNWYUHDJN-YPMHNXCESA-N 294.326 1.052 0 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0 50 CDAA CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)C1CCCCC1 521398791 AJMOYBQGELDHQP-VXGBXAGGSA-N 273.373 1.813 0 50 CDAA O=S(=O)(NCCC1CC1)c1ccc2c(c1)OCO2 182975197 RCPIOJUVKHBSBX-UHFFFAOYSA-N 269.322 1.494 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)c1cc2c(F)cccc2[nH]1 299747744 DXMLESYGEUQQHY-LBPRGKRZSA-N 292.266 1.233 0 50 CDAA CCc1ccc(CN(C)C(=O)N[C@H]2CCN(C)C2=O)nc1 534672454 TXHVCFRVDUDGHD-ZDUSSCGKSA-N 290.367 1.016 0 50 CDAA Cc1csc(S(=O)(=O)NC[C@H](C(C)C)N(C)C)c1 534665546 DKNPGJFBNUGRNM-LLVKDONJSA-N 290.454 1.921 0 50 CDAA CC(C)CS(=O)(=O)NCc1cc(C2CC2)on1 534641438 UNNUIDPAKUUJHA-UHFFFAOYSA-N 258.343 1.627 0 50 CDAA CN(C)CC[C@H](NS(=O)(=O)C1CC1)c1ccccc1 534581467 NISWDQNHTPSHLX-AWEZNQCLSA-N 282.409 1.761 0 50 CDAA O=C(NCC[C@@H]1CCOC1)C1(N2CCCC2)CCCC1 534658121 YOIGRCDHLPBHTP-CQSZACIVSA-N 280.412 1.938 0 50 CDAA CCN(CC)S(=O)(=O)NCc1ccc2c(c1)CCCO2 534584396 FKVVRKNZCFUFDU-UHFFFAOYSA-N 298.408 1.688 0 50 CDAA CCN(C)C[C@H](C)NCCN=c1cc[nH]cc1C 823074734 JONQCQQUQMFEIB-ZDUSSCGKSA-N 250.390 1.154 0 50 CDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](c2ccc(O)cc2)NC1=O 823491166 PSKUKEUDVLOGFB-KPXOXKRLSA-N 262.309 1.094 0 50 CDAA CCCS(=O)(=O)NC[C@H](C)NCc1cnc(C)c(C)c1 584903967 WZIYRIAQQAUESA-LBPRGKRZSA-N 299.440 1.506 0 50 CDAA Cc1nonc1CN[C@@H]1CCC(=O)N(CC2CC2)CC1 584899070 JAUMMCFFEVSHMW-GFCCVEGCSA-N 278.356 1.259 0 50 CDAA O=C(C1=C2CCCN=C2NN1)N1CCCCCCC1 1440796964 VFYUFKYRMAHRSC-UHFFFAOYSA-N 262.357 1.333 0 50 CDAA O=c1[nH]cc(C(F)(F)F)cc1I 47212323 WXQOUIYEDNDHRI-UHFFFAOYSA-N 288.994 1.998 0 50 CDAA in-vitro Cc1cnc(C(=O)N[C@]23CCC[C@@H]2NCC3)cc1C 1344503852 AYTTZKNTUAUYJM-ZFWWWQNUSA-N 259.353 1.713 0 50 CDAA Cc1cc(CNC(=O)C[C@@H]2CCCC(=O)N2)cc(C)n1 1361410996 HUHRFHILNCMTHN-ZDUSSCGKSA-N 275.352 1.373 0 50 CDAA CCn1ccc(CNC[C@@H]2CCCN(CCOC)C2)n1 952968716 FOIYWFBMNLMQGP-AWEZNQCLSA-N 280.416 1.351 0 50 CDAA COc1cccc(C)c1C(=O)NCCCC(=O)N(C)C 952964070 LAFPDSYGBGGNQE-UHFFFAOYSA-N 278.352 1.602 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)CN1CCCCCC1 952965377 DCZMFRFQODUXDP-UHFFFAOYSA-N 283.416 1.283 0 50 CDAA C[C@H](O)[C@H]1CCN(c2cc(N3CCC[C@H](F)C3)ncn2)C1 408473168 ZGABGEZUIGKZTM-AVGNSLFASA-N 294.374 1.622 0 50 CDAA C[C@@H](C(=O)NCC1=CCN(C)CC1)n1cnc2ccccc21 271962557 ZDPRAFIYUHMYIB-ZDUSSCGKSA-N 298.390 1.975 0 50 CDAA CC(C)(C)c1ncsc1C(=O)NCCc1nnc(N)o1 170088470 HLSCVFIQJUDVPE-UHFFFAOYSA-N 295.368 1.378 0 50 CDAA CCN(CCN1CCOCC1)C[C@@H]1CCCOC1 1207471831 UWOVMDZVJAYMOS-AWEZNQCLSA-N 256.390 1.067 0 50 CDAA CN(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 170345372 YOWWLEXDBMNNFN-UHFFFAOYSA-N 282.343 1.961 0 50 CDAA CCC(=O)N1CCC[C@H](c2nnc(S)n2C)C1 170622150 FFGKQSOYRSZITM-QMMMGPOBSA-N 254.359 1.220 0 50 CDAA CCN(CC(N)=O)C(=O)CCCSC(C)(C)C 170608908 UILRPPAFVXLAOQ-UHFFFAOYSA-N 260.403 1.632 0 50 CDAA CCOC(=O)CCc1csc(N2CCN(C)CC2)n1 190125255 RSQTZNHNXORDRT-UHFFFAOYSA-N 283.397 1.391 0 50 CDAA Cn1nccc1C(=O)NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 644188715 MKUDLWNJUVWAKQ-GXFFZTMASA-N 289.339 1.041 0 50 CDAA CC[C@H](C(=O)OC(C)(C)C)N1CCCN(C(N)=O)CC1 191983556 WBTSPQCORQKOCG-LLVKDONJSA-N 285.388 1.193 0 50 CDAA 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COCCC[C@@]1(CO)CCCN(Cc2nnc(C)s2)C1 91391291 LNFIMXGHQVEDMX-AWEZNQCLSA-N 299.440 1.848 0 50 CDAA Cc1onc(N)c1S(=O)(=O)N[C@@H]1CCCC1(C)C 290682842 HGCWBSHLFXWAGF-MRVPVSSYSA-N 273.358 1.422 0 50 CDAA Fc1ccc(N2CCC(CN3CCOCC3)CC2)nc1 96136124 MTPDSGRJCNPURN-UHFFFAOYSA-N 279.359 1.769 0 50 CDAA COCc1noc(CCNc2ncnc3onc(C)c23)n1 95381277 RTOOWTVEKNKCNT-UHFFFAOYSA-N 290.283 1.110 0 50 CDAA Cc1nc(C)c(C)c(NCCCN2CCC[C@H](CO)C2)n1 91782393 MGDBDEZDMWGGEJ-HNNXBMFYSA-N 292.427 1.908 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCNC(=O)C1 245969676 AACDJFWMRRJIBK-YVECIDJPSA-N 264.369 1.692 0 50 CDAA COc1coc(CN(C)CCn2ccnc2C)cc1=O 244811460 SDCWFYAFXLYWAW-UHFFFAOYSA-N 277.324 1.285 0 50 CDAA CCc1nc(C)c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)o1 293367205 YUKBLMISTFARLK-JTQLQIEISA-N 293.367 1.675 0 50 CDAA COCCN1C[C@@H](Cc2cnc(OC)cc2C)CC1=O 244602048 DWTWLPDQMDVHOU-LBPRGKRZSA-N 278.352 1.436 0 50 CDAA CCOC1CCN(C(=O)CN(C)Cc2ccccn2)CC1 244707869 KIZSESIUTCMSGL-UHFFFAOYSA-N 291.395 1.541 0 50 CDAA NC[C@H]1CCCCN1CCC(=O)NCc1cccs1 244601897 DTWBGGGKCSOPLB-GFCCVEGCSA-N 281.425 1.568 0 50 CDAA Cc1nc(O)ccc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 295279484 HPNCNLACDFYTSE-LLVKDONJSA-N 289.379 1.652 0 50 CDAA N#Cc1cnccc1N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 299742226 IZSSNVDKHYXBLI-RKDXNWHRSA-N 284.241 1.053 0 50 CDAA CC1=C[C@H]2[C@@H]3C[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 253591911 RLJXOXKMEGQXJX-RFGFWPKPSA-N 281.315 1.493 0 50 CDAA CCC[C@H](CNc1cncc(N(C)C)n1)N(C)C 534667045 UDNDJLQNHIVVHO-LLVKDONJSA-N 251.378 1.685 0 50 CDAA O=C1NCC[C@H]1NC1CCN(c2ccccc2Cl)CC1 534590837 GJLKCVRSWNXJEP-CYBMUJFWSA-N 293.798 1.787 0 50 CDAA CCC1(CNC(=O)N(CCO)Cc2nccn2C)CCC1 534662638 SUSPTCWPAKGEMS-UHFFFAOYSA-N 294.399 1.504 0 50 CDAA O=C(OCc1ccccc1)N1C[C@@H](O)C(F)(F)C1 261509004 YYXSQDYMDGAHLV-SNVBAGLBSA-N 257.236 1.635 0 50 CDAA Cn1ccnc1C(=O)NC1CCN(c2ccccc2)CC1 299787539 NABNQSKCEDNGLM-UHFFFAOYSA-N 284.363 1.819 0 50 CDAA CCc1nc(CCNC(=O)[C@@]2(C)CC(C)=NO2)cs1 299785647 RCUWXVBTEWPJCI-CYBMUJFWSA-N 281.381 1.919 0 50 CDAA Cc1cncnc1C1CCN(C(=O)[C@@H]2CCOC2)CC1 299768091 ISEQSQCUDIJNPQ-CYBMUJFWSA-N 275.352 1.528 0 50 CDAA CCCCCc1nc([C@@H](N)CO)n(-c2cccc(C)n2)n1 822859107 RQJJATONCOGIJY-LBPRGKRZSA-N 289.383 1.696 0 50 CDAA C1CCCC(CN[C@H]2CCOC2)(N2CCOCC2)CC1 820408974 NQVBOTFXEFFICD-HNNXBMFYSA-N 282.428 1.790 0 50 CDAA CC(=O)NCC(=O)Nc1ccccc1CN1CCCCC1 828075171 QHKKJAOMBPKBFS-UHFFFAOYSA-N 289.379 1.747 0 50 CDAA O=C([C@@H]1CC12CCC2)N1CCN(CCCCO)CC1 584895993 LJZKDPKCQATRGH-ZDUSSCGKSA-N 266.385 1.093 0 50 CDAA Cc1cnc(CN2CCN(C(=O)CC(C)C)CC2)[nH]1 670443467 VEPMXKZUWXVVHY-UHFFFAOYSA-N 264.373 1.408 0 50 CDAA C[C@@H]1C[C@@H](C)CN(C(=O)c2cn3cc(CN)ccc3n2)C1 911917201 NQGCCWPRFBPDJJ-VXGBXAGGSA-N 286.379 1.911 0 50 CDAA Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074563339 KCYIUMMSWRQBTQ-QJPTWQEYSA-N 285.340 1.590 0 50 CDAA NC[C@@H]1CCCCN1C(=O)CCOc1ccccc1F 130933490 BWLCXHONHVHYHN-LBPRGKRZSA-N 280.343 1.934 0 50 CDAA O=C(O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 50919582 CRBLLORWOHFGGM-SNVBAGLBSA-N 251.257 1.649 0 50 CDAA C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@@H](CO)[C@H]1CO 952993736 JSDCKCXSHHCJOW-CBBWQLFWSA-N 283.412 1.795 0 50 CDAA O=C1C[C@@H](C(=O)Nc2ccc3nc(S)oc3c2)CN1 163559712 TZQHXBNMURJXCZ-ZCFIWIBFSA-N 277.305 1.191 0 50 CDAA CCS(=O)(=O)N1CCC(N2CCCCC2)CC1 4744123 BQDABACPXLWPJD-UHFFFAOYSA-N 260.403 1.286 0 50 CDAA Cn1ccnc1C(=O)N1CCCN(Cc2ccccn2)CC1 952860361 NIIHNQSDPPVWHZ-UHFFFAOYSA-N 299.378 1.163 0 50 CDAA O=C(OCc1ccccc1)N1CCc2n[nH]c(=O)cc2C1 71790496 FQNXZPKTMZUIDQ-UHFFFAOYSA-N 285.303 1.465 0 50 CDAA in-vitro Cc1ncc2c(n1)CC[C@H](NC(=O)[C@H](N)C(C)(C)C)C2 1574192995 YPRQJZASYFDQEO-AAEUAGOBSA-N 276.384 1.132 0 50 CDAA CCCC(=O)N1CCN(C(=O)CCC)CC(C)C1 408520501 IJDOTYJCZSRNSA-UHFFFAOYSA-N 254.374 1.894 0 50 CDAA C[C@@H]1CN(C(=O)c2ncccc2N(C)C)[C@H](C)CN1C 585135501 NJGSMNLFGZMHOG-VXGBXAGGSA-N 276.384 1.312 0 50 CDAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCNc1ccccn1 271746108 WMFXJLOGWOLWBB-CHWSQXEVSA-N 297.424 1.439 0 50 CDAA CCC1(C(=O)NCc2c[nH]nc2C)CCOCC1 272495549 WNSCXUMZGRSMBN-UHFFFAOYSA-N 251.330 1.541 0 50 CDAA Cn1ccc(NC(=O)NC[C@@H]2CCc3nccn3C2)n1 275642981 XVUQPSWEEBWRQX-JTQLQIEISA-N 274.328 1.001 0 50 CDAA Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CN)c(C)o1 170070958 HTQZEJVZJRMBAK-SKDRFNHKSA-N 286.397 1.644 0 50 CDAA C[C@H]1CO[C@@H](CO)CN1Cc1cccc2c1CCOC2 639519482 RJBOMXFFYIOGNS-SWLSCSKDSA-N 277.364 1.341 0 50 CDAA CCc1ncnc(N2C[C@@H](C(=O)O)C3(CCC3)C2)c1F 575607743 JLYKXYQZTFNTBB-VIFPVBQESA-N 279.315 1.869 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)N)C1 648048898 DLKCLQOZKJRGPR-CWSCBRNRSA-N 279.384 1.981 0 50 CDAA CC(C)c1noc(CCCNC(=O)C2CCC(O)CC2)n1 194203312 CVQCICIABFOKTB-UHFFFAOYSA-N 295.383 1.793 0 50 CDAA CNc1cc(C(=O)N2CCC(F)(F)CC2)ccn1 97797519 UWCXLAGBRPFOHA-UHFFFAOYSA-N 255.268 1.995 0 50 CDAA COCC[C@H](CO)NC(=O)c1ccc2cccc(O)c2c1 1615551315 RTDIRNSDAAJSFD-CYBMUJFWSA-N 289.331 1.673 0 50 CDAA CN(Cc1csc(C(C)(C)O)n1)C(=O)[C@](C)(O)C1CC1 1615590047 IWYLAMYVXGKPOF-CQSZACIVSA-N 298.408 1.490 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)Nc1cccnc1O 1615613702 AZUULXQDVBGWHH-MRXNPFEDSA-N 299.330 1.535 0 50 CDAA C[C@@H]1CN(c2cc(Cl)ccn2)C[C@H]1N1CCOCC1 1616034583 POUBMFQYFZMDBO-DGCLKSJQSA-N 281.787 1.892 0 50 CDAA O=C(NCc1ccsc1)c1ccn2ncnc2c1 1857672591 GPWVRQPMFZCUMQ-UHFFFAOYSA-N 258.306 1.721 0 50 CDAA Cc1nn[nH]c1C(=O)N(C)Cc1nc2cccc(C)c2[nH]1 1506426302 FSCPETXAWGNJHG-UHFFFAOYSA-N 284.323 1.570 0 50 CDAA COc1ccc(-c2ccc(C(=O)O)nn2)cc1OC 216174514 GKBXBFIVRHJQQH-UHFFFAOYSA-N 260.249 1.859 0 50 CDAA COc1ncc(C(=O)N2CCO[C@@H](C(C)(C)C)CC2)cn1 1615614473 GZOIENTWLLSBPY-GFCCVEGCSA-N 293.367 1.762 0 50 CDAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 15446291 ABBVAMUCDQETDO-VIFPVBQESA-N 271.313 1.376 0 50 CDAA in-vitro CCCNC(=O)C1(NCc2csnn2)CCCCC1 154535863 DDQJERBGVBQCLE-UHFFFAOYSA-N 282.413 1.857 0 50 CDAA CSCC(=O)N1CCO[C@H](Cc2ccccc2)C1 12301062 AXCKJLLWKMHAHY-CYBMUJFWSA-N 265.378 1.820 0 50 CDAA NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 12404740 NSDRVWFENFMWTE-LLVKDONJSA-N 254.289 1.678 0 50 CDAA O=C(NC[C@H]1CCCO1)c1c(O)c2ccccc2[nH]c1=O 13124283 FDEMXJQNTOXLPK-SECBINFHSA-N 288.303 1.143 0 50 CDAA aggregator,biogenic Cc1n[nH]cc1CNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857528566 CHUFDQWRRPPFFO-APPZFPTMSA-N 289.339 1.393 0 50 CDAA O=C(NCC1=CCCCC1)c1nnc2n1CCCC2 1857686265 NWYRGBJYNZVIPT-UHFFFAOYSA-N 260.341 1.845 0 50 CDAA Cc1nc([C@H]2CC[C@H](N)[C@@H](O)C2)n(Cc2ccccc2)n1 1857732994 PZBJNRKHHNTZNH-KKUMJFAQSA-N 286.379 1.591 0 50 CDAA COC[C@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@@H](C)O1 632689253 OFPIXEDTXUXCKK-DGCLKSJQSA-N 293.367 1.095 0 50 CDAA Cn1ncc2c1CCCN(C(=O)C[C@H](O)CC(C)(C)C)C2 333932075 GMRHLYFVHTUCAK-ZDUSSCGKSA-N 293.411 1.882 0 50 CDAA O=C(CCn1cccn1)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653328291 HAUFKNJQLRSZGI-UONOGXRCSA-N 299.330 1.703 0 50 CDAA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2cc[nH]n2)C1 344245533 FSJCRTVCPGZHQF-KOLCDFICSA-N 290.289 1.441 0 50 CDAA NC(=O)CCN1C[C@@H]2CC[C@H](C1)CN2Cc1ccccc1 247710814 JJBWUMOKCBUTCN-CVEARBPZSA-N 287.407 1.458 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)CCC2CCOCC2)C1 136165906 KPZSRAYWEQXJPE-LBPRGKRZSA-N 269.341 1.516 0 50 CDAA O=C(O)CN(C(=O)COc1ccccc1)C1CCOCC1 362680698 KBUAQKJZBUZQMJ-UHFFFAOYSA-N 293.319 1.158 0 50 CDAA CO[C@@H](CS(=O)(=O)Nc1cnc(O)c(C)c1)C(C)C 585141431 VSJPRRIYRBHPSU-NSHDSACASA-N 288.369 1.508 0 50 CDAA Cc1cccc(O[C@H](C)C(=O)NCCCN(C)C)c1 8320851 DOAJKIRXCVNLKR-CYBMUJFWSA-N 264.369 1.830 0 50 CDAA CC(C)NC(=O)[C@H](C)NC(=O)Cc1ccn(C(C)C)n1 822792550 AGEFQFNNLPXDSC-NSHDSACASA-N 280.372 1.036 0 50 CDAA COc1cc(C(=O)NC[C@@H]2CCC(C)(C)CO2)ncn1 829156998 KTXZGHKIZKRBFR-JTQLQIEISA-N 279.340 1.420 0 50 CDAA C[C@H](c1ccc(F)cc1)N(C)C(=O)C[C@@H]1CC(=O)NC1=O 929570720 TUIGOTLMRJGUSR-KOLCDFICSA-N 292.310 1.398 0 50 CDAA CNC(=O)NC[C@H]1CCCCN1Cc1cnc(C)o1 931477058 RCFHSJMABOFSBZ-LLVKDONJSA-N 266.345 1.267 0 50 CDAA C=CC(=O)N(C)CC(=O)NC(C)(C)c1nc(C)c(C)s1 859476049 YVZCBAPOGZJETL-UHFFFAOYSA-N 295.408 1.756 0 50 CDAA Cc1cn2nc(C(=O)N3CCC[C@@H](C)[C@@H]3C)cc2c(=O)[nH]1 952882868 KPJCOGVHHWYVBJ-KOLCDFICSA-N 288.351 1.592 0 50 CDAA O=C(O)C[C@H]1CC(=O)N(Cc2ccc(Cl)cn2)C(=O)N1 1875288771 CHPDNNPHMIQRRF-SECBINFHSA-N 297.698 1.020 0 50 CDAA Cc1cccc(N(C)S(=O)(=O)CCO[C@H]2CCOC2)c1 1875289914 XVTCFYHLXASFGM-AWEZNQCLSA-N 299.392 1.567 0 50 CDAA O=C(NC[C@@H]1CCCC12CC2)c1nc[nH]c2ncnc1-2 1875282345 ZEQSMDATLVANTL-VIFPVBQESA-N 271.324 1.615 0 50 CDAA CCn1c(-c2cc[nH]n2)nnc1N1C[C@H]2CC[C@H]2C1 1875272680 KHLKFWBNGALGQC-AOOOYVTPSA-N 258.329 1.534 0 50 CDAA N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)NCC1CCC1 1875277017 WKHMXSRCFWBNJG-JKSUJKDBSA-N 287.407 1.362 0 50 CDAA OC[C@@H]1CCC2(CCOCC2)CN1c1ncncc1Cl 1875287873 DQDWHLISKGLITP-NSHDSACASA-N 297.786 1.888 0 50 CDAA C[C@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@@H](C)[S@@]1=O 1875262876 YOEKHONCVLQJCE-HRBWSGTNSA-N 298.408 1.079 0 50 CDAA O[C@@H](CSCc1ccccc1F)[C@@]1(O)CCOC1 1875279382 YMZKVZOMFRGMOZ-QWHCGFSZSA-N 272.341 1.571 0 50 CDAA CO[C@H]1CCC[C@H]1S(=O)(=O)Nc1cnc(C2CC2)nc1 1875362642 NTSKPTNLPOUFNZ-NWDGAFQWSA-N 297.380 1.663 0 50 CDAA CCCCOc1cccc(NC(=O)c2nnn(C)n2)c1 878380203 TYIGAHNJVYUABZ-UHFFFAOYSA-N 275.312 1.641 0 50 CDAA CC(C)c1ncnn1Cc1nnc([C@H]2CCCOC2)o1 886081905 DPGNSWKTCNOSPK-JTQLQIEISA-N 277.328 1.727 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)[C@@H]1CCOc2ccccc21 129230870 XSEXYPWORYSNMO-YRGRVCCFSA-N 274.364 1.891 0 50 CDAA C[C@@H](O)c1cn(Cc2ccc(-n3cccn3)cc2)nn1 163407706 WZQAILDHAUXNQJ-LLVKDONJSA-N 269.308 1.565 0 50 CDAA CNc1ccccc1C(=O)NC[C@H]1CCCN(C)C1 44559393 SQGFDXDOPPRBQH-GFCCVEGCSA-N 261.369 1.800 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N1CCC[C@](O)(C(N)=O)C1 285484376 LHWXLDNKOPLZHZ-CQSZACIVSA-N 296.754 1.101 0 50 CDAA COc1cc(F)c(F)cc1NC1CCN(C(N)=O)CC1 289643014 FUBGBSLNHZSLKH-UHFFFAOYSA-N 285.294 1.928 0 50 CDAA CCN(Cc1nc(C)no1)Cc1ncccc1C(=O)O 65468428 DFFWMSFCGTZMQE-UHFFFAOYSA-N 276.296 1.493 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)C2CC=CC2)cn1 193012319 MHUARGGZFORUHX-UHFFFAOYSA-N 263.297 1.608 0 50 CDAA CCc1ccc(CN2CCO[C@H](CCOC)C2)nc1 670438901 GBMRIIRFVKMUQE-OAHLLOKOSA-N 264.369 1.881 0 50 CDAA O=C1COc2ccc(C(=O)NCc3ccco3)cc2N1 34364 CWDWYCMZOIESOA-UHFFFAOYSA-N 272.260 1.541 0 50 CDAA Cc1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 994948 HXCCIENHFLUHPY-AAEUAGOBSA-N 279.361 1.453 0 50 CDAA Cn1c(O)nc2ncn(Cc3cccc(C4CC4)c3)c2c1=O 2325801843 YFGIBSUNZFASQJ-UHFFFAOYSA-N 296.330 1.761 0 50 CDAA CN1CCN=C1NCc1ccc2cc(O)ccc2c1 2325805954 IDVAPUKIINJNAM-UHFFFAOYSA-N 255.321 1.936 0 50 CDAA Cc1c(N2C(=O)C=CC2=O)c(=O)oc2cc(N(C)C)ccc12 56650 ADEORFBTPGKHRP-UHFFFAOYSA-N 298.298 1.597 0 50 CDAA O=C(O)Cc1c(C(=O)O)nc2ccccc2c1C(=O)O 83613 VUMDLYLTOUWNMS-UHFFFAOYSA-N 275.216 1.258 0 50 CDAA COc1ccc2c(c1)N[C@]1(O)c3ccccc3C(=O)[C@@]21O 408867 ZCJFNNGFDOCUAI-HOTGVXAUSA-N 283.283 1.350 0 50 CDAA O=C1Nc2ccc(Cl)cc2C(=O)N2CCC[C@H]12 1860079 AUNHJVGFQWTEOA-SNVBAGLBSA-N 250.685 1.897 0 50 CDAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@H]2O 2356139790 YGRBEGLPTVRRDI-MUIFIZLQSA-N 297.358 1.050 0 50 CDAA CCc1ccccc1OCCOCCNCCO 2981118 RMPOAGWUSSQHMZ-UHFFFAOYSA-N 253.342 1.226 0 50 CDAA C[C@H](CNC(=O)C1CCCC1)NC(=O)C1CCCC1 2746116 WYWHKSLZEHGOCP-LLVKDONJSA-N 266.385 1.988 0 50 CDAA 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CDAA CC[C@@H]1CN(C(=O)CCc2cnccn2)CC[C@]1(C)O 213115476 PVRNVTZBIMGXLF-DOMZBBRYSA-N 277.368 1.419 0 50 CDAA CCOCCCNC(=O)N1CCC[C@H](c2ccn[nH]2)C1 114910237 IUDWWPTUQYESIN-LBPRGKRZSA-N 280.372 1.725 0 50 CDAA CC(C)c1ccsc1C(=O)N1CCO[C@@H](C(=O)O)C1 236811651 PCSFAFPFUMJXKQ-SNVBAGLBSA-N 283.349 1.797 0 50 CDAA Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)CO)CCO1 568899920 UREACFXRJUKAAN-AWEZNQCLSA-N 277.364 1.913 0 50 CDAA COc1cc(F)c(NC(=O)C(=O)N(C)C(C)C)cc1F 163441773 WTPSJGFYVOHITP-UHFFFAOYSA-N 286.278 1.779 0 50 CDAA Cn1cc(CCn2ccnc2-c2cnn3cccnc23)cn1 1857679468 VTNKGFMOHJOAQC-UHFFFAOYSA-N 293.334 1.569 0 50 CDAA O=C(NCc1cc(-c2ccccc2)n[nH]1)[C@@H]1C=CCN1 1857685120 OZPJIQNOWMKKSE-ZDUSSCGKSA-N 268.320 1.221 0 50 CDAA NC(=O)c1cn2c(n1)CCN(C1Cc3ccccc3C1)CC2 1875243113 QOKLUSIETBSVFI-UHFFFAOYSA-N 296.374 1.008 0 50 CDAA O=C(Nc1ccc(OC2CCCC2)nc1)[C@@]1(O)CCOC1 408520924 BHSSYDOKDQUXLR-OAHLLOKOSA-N 292.335 1.493 0 50 CDAA CC(C)(C(=O)O)n1ccc(NC(=O)C2CCOCC2)n1 659200300 LOTFBRIQNOPDLN-UHFFFAOYSA-N 281.312 1.068 0 50 CDAA C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)NCc1cccc(C(=O)O)c1 384525509 BTLIJZMGRBJPKW-NRUUGDAUSA-N 292.335 1.750 0 50 CDAA CC1(C)C[C@H](CNC(=O)c2nc(=N)cc[nH]2)C(C)(C)O1 902980578 OJIHYXPCNWLWFI-SECBINFHSA-N 278.356 1.213 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)NCC1CC1 912195426 NPVIZZZANWSCIT-OAHLLOKOSA-N 260.337 1.322 0 50 CDAA Cc1cc(CCC(=O)N[C@@H]2C[C@H](N)C23CCC3)no1 1122427322 ZPIMMJQLKPLNFW-NWDGAFQWSA-N 263.341 1.302 0 50 CDAA C=CC(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 848979742 ZDSYPQCZLFCLGZ-UHFFFAOYSA-N 273.292 1.789 0 50 CDAA CCc1cc(NC[C@@H](C(=O)O)C2CCOCC2)nc(C)n1 863734360 DQNAEZYLSIMBLD-CYBMUJFWSA-N 293.367 1.887 0 50 CDAA O=C([C@@H](O)c1cnc[nH]1)N1CCO[C@H](c2ccccc2)C1 864698719 XRNRBTXDKRMOHS-KBPBESRZSA-N 287.319 1.043 0 50 CDAA Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C(=O)C3(C)CC3)C2)cn1 868454060 XLNAENTXGDOEGX-MNOVXSKESA-N 291.351 1.237 0 50 CDAA Cn1ncc2c1CCCN(C(=O)NOC1CCC1)C2 952887114 HWPRPMOMGMXCIW-UHFFFAOYSA-N 264.329 1.362 0 50 CDAA CCn1nnc(C)c1CN(CC(F)F)CC(F)F 952881747 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1.469 0 50 CDAA Oc1ccnc(Nc2nccc(N3CCC[C@H](O)C3)n2)c1 2356133917 MCIWHFMUTVSQFA-NSHDSACASA-N 287.323 1.282 0 50 CDAA Cc1ncoc1C(=O)N1CCC2(CC1)C[C@@](C)(O)CCO2 2356142463 STYGIMKHQXCCFK-AWEZNQCLSA-N 294.351 1.519 0 50 CDAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCN1CCCC1 2972858 UHZVARWABQKUTG-NEPJUHHUSA-N 282.771 1.600 0 50 CDAA COc1cc(OC)c(OC)cc1CNC[C@@H]1CCCO1 4498043 OXCKCCGTEIJZMV-LBPRGKRZSA-N 281.352 1.981 0 50 CDAA CCn1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1 6726500 GYCWKCAPWPNWRK-SNVBAGLBSA-N 257.359 1.324 0 50 CDAA CCc1cc(NC(=O)[C@@H]2C[C@@H](C)CCO2)n(C)n1 340991218 UMKWQNGAVDWPQR-ONGXEEELSA-N 251.330 1.736 0 50 CDAA CCN1CC[C@@H](NCC(C)(C)C(=O)OC)[C@@H](C)C1 221829504 FNMMGAFWXNPXCO-NWDGAFQWSA-N 256.390 1.506 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NC(C)(C)C 9154900 BFJLAMLEHLHQGB-UHFFFAOYSA-N 298.408 1.774 0 50 CDAA CN(CCCn1ccnc1)C(=O)Cc1ccc2[nH]ncc2c1 225422060 WFHMROSCYSKSGG-UHFFFAOYSA-N 297.362 1.851 0 50 CDAA CC(C)Cn1ncnc1CN(CCO)[C@@H]1CCCSC1 225518792 XKGLJDAFEMGUKS-CYBMUJFWSA-N 298.456 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CDAA Cc1cc(C)n(C2CN(c3ncnc4c3CCNCC4)C2)n1 72481669 YLLSRHRUOLTFRZ-UHFFFAOYSA-N 298.394 1.039 0 50 CDAA CN(C)CCCOc1cccc(CN2CC(O)C2)c1 216179820 QUGNOYMHYKGBOX-UHFFFAOYSA-N 264.369 1.194 0 50 CDAA COC(=O)[C@@H](Cc1ccncc1)NC(=O)OC(C)(C)C 35571059 QRPNTBDWQKLOBS-LLVKDONJSA-N 280.324 1.690 0 50 CDAA Cn1cc(-c2ccc([C@H](O)CN3CCOCC3)cc2)cn1 32561009 RTFQBBSNAZSORO-MRXNPFEDSA-N 287.363 1.453 0 50 CDAA Cn1nncc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O 331659062 STJKEUCJUXJLGE-RRFJBIMHSA-N 278.400 1.721 0 50 CDAA CCN(C(=O)/C=C/CN(C)C)[C@H]1CCOC(C)(C)C1 493170291 XNNYLGVYOWGMIQ-GWJCSSMESA-N 268.401 1.910 0 50 CDAA CCn1cnc2c(N3CC[C@@](O)(C4CC4)C3)ncnc21 365341184 CNDMQAILCSFPRA-AWEZNQCLSA-N 273.340 1.197 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2Cc3ccccc3N2)CCCO1 155719837 YLISYFJAOLPCIS-SMDDNHRTSA-N 260.337 1.661 0 50 CDAA COc1cnc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)s1 332330301 PQPHKMWLLDLHPZ-RKDXNWHRSA-N 286.353 1.674 0 50 CDAA CCOC1CC(CN2CCC[C@H]2Cn2cncn2)C1 367541886 VZMCDDHGQQQJFL-MOKVOYLWSA-N 264.373 1.558 0 50 CDAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 72454828 KWMHGYPWOGNKRX-OAHLLOKOSA-N 291.391 1.987 0 50 CDAA O=C(O)C(CCCOCc1ccccc1)C(=O)O 71771010 QXYSJXAWSKJNAK-UHFFFAOYSA-N 252.266 1.769 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1 236761961 KFOZRJWKMXUWAU-LLVKDONJSA-N 279.340 1.717 0 50 CDAA CCSc1ccc([C@@H](C)NC(=O)[C@H]2COCCN2)cc1 236937871 GXBZWKJVHRXDDR-BXUZGUMPSA-N 294.420 1.964 0 50 CDAA C[C@H]1c2cccn2CCN1C(=O)c1cn(CC2CC2)nn1 333318369 OXDYACIKWUFART-NSHDSACASA-N 285.351 1.707 0 50 CDAA O=C(N=c1cc(C2CCOCC2)[nH][nH]1)c1ccsn1 333617051 XVCJNWRUVSZBRR-UHFFFAOYSA-N 278.337 1.434 0 50 CDAA COCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)o1 262228489 OBAWEUSPVHZNCQ-SNVBAGLBSA-N 267.281 1.505 0 50 CDAA CCCc1nc(NCCc2ncc[nH]2)c2cnn(C)c2n1 72152713 HBGAZVGBWOEMNL-UHFFFAOYSA-N 285.355 1.694 0 50 CDAA C1CCN2C[C@@H]3CN(c4nc(C5CC5)no4)C[C@H]3[C@@H]2C1 242100114 WEKSKOIGLMVQFK-UPJWGTAASA-N 274.368 1.868 0 50 CDAA CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 223783495 PMKYMMNXOIIDDW-ILXRZTDVSA-N 274.364 1.655 0 50 CDAA O=C(Cn1nnc2ccccc21)NCCn1cccc1 80792076 WYJRSHLQIRZTIJ-UHFFFAOYSA-N 269.308 1.049 0 50 CDAA CN(C(=O)[C@H]1CCOC1)[C@H](Cc1ccccc1)C(=O)O 263471649 RZPHFKFLEGLTOZ-QWHCGFSZSA-N 277.320 1.177 0 50 CDAA O=C(NCc1cccc2[nH]ccc12)N1CCOCC1 426434826 IUMMHESPICWURR-UHFFFAOYSA-N 259.309 1.710 0 50 CDAA Cc1nc[nH]c1CNC(=O)[C@@H](C)N1CCCCC1 426424206 GJWOETOZVPYHCX-LLVKDONJSA-N 250.346 1.209 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)[nH]1 426646982 FZHGVAKMGHREAR-OAHLLOKOSA-N 298.342 1.977 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)NCCc1ccccn1 426628252 MRRGBNNUCLBIIS-NSHDSACASA-N 258.325 1.506 0 50 CDAA CCc1nnc(CN(C)C(=O)NC(C2CC2)C2CC2)o1 426575195 ZWKVMAYSKNBPFM-UHFFFAOYSA-N 278.356 1.962 0 50 CDAA COCCn1cncc1Cn1sc2ccccc2c1=O 95375282 FWKTYVVUZHQSDK-UHFFFAOYSA-N 289.360 1.954 0 50 CDAA CC[C@H](C(=O)NCCCNc1cccnc1)n1cccn1 92028134 MVHLQRGHDOKZQR-CQSZACIVSA-N 287.367 1.848 0 50 CDAA CCn1c(Cn2ccnc2C)nnc1C1CCN(C)CC1 92046105 FMYNLKVELRESNE-UHFFFAOYSA-N 288.399 1.660 0 50 CDAA CN(C(=O)COCc1ccccc1Cl)[C@H]1CCNC1 179049475 AFSSNJHHEIGADK-LBPRGKRZSA-N 282.771 1.677 0 50 CDAA CC(C)NC(=O)c1cnn(C)c1I 292709016 OGIBNPLFWAYKCI-UHFFFAOYSA-N 293.108 1.163 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 243892528 AIFNWZHPCZBGMK-YRRQLQLVSA-N 254.289 1.702 0 50 CDAA Cc1ccc2nc(CNC(=O)[C@@H](C)NC3CC3)cn2c1 296333265 HXAGPZUWNUSJTL-LLVKDONJSA-N 272.352 1.399 0 50 CDAA C[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1ccncc1 299746129 VLRGBMRLZAGNLX-ZYHUDNBSSA-N 262.309 1.651 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 299748328 GYCPALKFHDIGMW-OLZOCXBDSA-N 285.303 1.209 0 50 CDAA CN(Cc1ccsc1)C(=O)[C@H]1NCCc2nc[nH]c21 534649981 MBAFPSVYSPSMEF-LBPRGKRZSA-N 276.365 1.317 0 50 CDAA CCN(Cc1noc(C2CC2)n1)C(=O)NC[C@H](C)OC 534637826 MENIDWLILLBNHV-VIFPVBQESA-N 282.344 1.513 0 50 CDAA Cc1nc[nH]c1C(=O)N[C@@H](c1nccn1C)C(C)C 534672423 LAZFPOSLTBUARK-SNVBAGLBSA-N 261.329 1.579 0 50 CDAA CC(C)c1nc(N2CCC[C@]3(CCNC3)C2)no1 534592701 GWFVNFPEDKEGKH-CYBMUJFWSA-N 250.346 1.773 0 50 CDAA CC(C)C[C@@H](NC(=O)C1CCOCC1)c1ncnn1C 534586960 APGFZLRIJYFZDW-GFCCVEGCSA-N 280.372 1.445 0 50 CDAA CCS[C@@H](C)C(=O)N1CCN(CC(F)(F)F)CC1 823419186 IMIRWHHEEZOZDB-VIFPVBQESA-N 284.347 1.835 0 50 CDAA CCN(C)[C@H](C)CCNC(=O)N1CC(c2ccncc2)C1 823065549 LXKLDZUMBQJCPK-CYBMUJFWSA-N 290.411 1.921 0 50 CDAA O=C(NCC1(C(F)(F)F)CCNCC1)C1CCC1 725264676 GHLHZVXTXRACCT-UHFFFAOYSA-N 264.291 1.835 0 50 CDAA c1coc(-c2n[nH]c(CCCN3CCOCC3)n2)c1 827603740 KDKLPXUDYPZRBL-UHFFFAOYSA-N 262.313 1.330 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)c1csc(=N)[nH]1 584891690 GRYPOVKJWQXFDD-SECBINFHSA-N 276.365 1.620 0 50 CDAA COCCN(C)CC(=O)N[C@@H](C)c1ccc(C)nc1 670448407 FJQFVNQVESDYKD-LBPRGKRZSA-N 265.357 1.145 0 50 CDAA Cc1cc(C)n(CCCNC(=O)c2nccn2C)n1 741259230 CSNQPFSJQVRXOY-UHFFFAOYSA-N 261.329 1.054 0 50 CDAA C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]1Cc2cc(F)ccc2O1 685939718 JEWXYPSFLWTLIC-UEKVPHQBSA-N 293.338 1.749 0 50 CDAA CC(C)[C@@H](CO)NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)CN2C1 1356498611 QJNIUTWWMZPPHH-AAVRWANBSA-N 268.401 1.240 0 50 CDAA O=C(NCC1CCN(c2cnsn2)CC1)[C@H]1CC12CC2 952870186 WPXYACSDAMDUDZ-LLVKDONJSA-N 292.408 1.671 0 50 CDAA CNc1cc(N2CCC[C@H](c3nc(C)no3)C2)ncn1 891943247 FVWNTSZXMQQUFB-JTQLQIEISA-N 274.328 1.594 0 50 CDAA COc1cc(C)sc1C(=O)N1CCO[C@@H](CC(=O)O)C1 269049526 UQUNXITZLXNPCT-VIFPVBQESA-N 299.348 1.381 0 50 CDAA COC[C@]1(C)CN(Cc2cc(C(=O)O)sc2C)CCO1 629379518 RBNUXPHPXQQLTP-AWEZNQCLSA-N 299.392 1.992 0 50 CDAA Cc1c(CN)cccc1-c1cnc(N2CCC[C@@H](O)C2)nc1 629758712 CBOFOQNGQJBPJM-OAHLLOKOSA-N 298.390 1.872 0 50 CDAA O=C(C[C@H]1CCCN1)Nc1ccn(CCc2ccncc2)n1 166831571 QSGLKGWJJXEUAX-CQSZACIVSA-N 299.378 1.601 0 50 CDAA CC[C@@H](C)N1CC(=O)N([C@H]2CCCn3nccc32)C1=O 630999327 WHEVMHZKMSPRHA-PWSUYJOCSA-N 276.340 1.781 0 50 CDAA C[C@@H](CNC(=O)c1ncc2n1CCCC2)N1CCCC1 630931696 VVAFHKUZFZVGJI-LBPRGKRZSA-N 276.384 1.434 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccncc2)cn1 275275978 KBLOOVZXIUVKIW-QWHCGFSZSA-N 272.308 1.531 0 50 CDAA Cc1nc2c([nH]1)C[C@@H](C(=O)NCc1c(C)noc1C)CC2 578453920 JUUNORLRUIRVHX-NSHDSACASA-N 288.351 1.744 0 50 CDAA COc1nnc(NC(=O)N2C[C@H]3CCCN3C[C@@H]2C)s1 276557538 PBRNOIJIFIGOPT-DTWKUNHWSA-N 297.384 1.247 0 50 CDAA Cc1nnc(N2CC[C@@H](CNc3ccccn3)C2)nc1C 170083814 SRHHABWIUHDFPK-ZDUSSCGKSA-N 284.367 1.822 0 50 CDAA Cc1cc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)oc1C 515464353 MEMRRAFCWWDCNL-GFCCVEGCSA-N 295.335 1.754 0 50 CDAA CC(C)[C@@H](CO)C(=O)NC[C@](C)(O)c1ccccc1 170600693 AKFSOORCDJGFSP-HIFRSBDPSA-N 265.353 1.275 0 50 CDAA O=c1[nH]c(SCC[C@@H]2CCCO2)nc2[nH]ncc12 189227565 JOADAQQBLVKGMT-ZETCQYMHSA-N 266.326 1.307 0 50 CDAA C[C@@H]1OCCN(C(=O)C(=O)Nc2cc(F)cc(F)c2)[C@@H]1C 190024249 YKHLRZFXPRRRNT-BDAKNGLRSA-N 298.289 1.539 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N(CC(N)=O)Cc1ccccc1 191635349 YPAOEHLEZMBAMJ-GXTWGEPZSA-N 290.363 1.316 0 50 CDAA CCN1CCCN(c2nccn3cnnc23)[C@H](C)C1 664008292 ZWBBUAVPMRGORQ-LLVKDONJSA-N 260.345 1.045 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-n1ccnc1 194282161 FTOKZARFBVMPTQ-DZGCQCFKSA-N 285.347 1.914 0 50 CDAA Cc1ccc2nnc(CNC(=O)c3nc(C)oc3C)n2c1 585088313 VCYLPSSHNYVVCS-UHFFFAOYSA-N 285.307 1.573 0 50 CDAA CSC[C@@H](C)C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 585131131 MNBJIPGAYMCWEQ-PWSUYJOCSA-N 294.424 1.928 0 50 CDAA COc1cc(NC(=O)CCS(C)(=O)=O)cc(Cl)n1 585125102 GNXUHIZVBMWACF-UHFFFAOYSA-N 292.744 1.117 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)Nc1cn(C)nc1C 758453438 FAVYQLNYLBQKDV-ZYHUDNBSSA-N 251.330 1.872 0 50 CDAA CCOc1cc2c(cc1CN(C)CC(=O)O)O[C@@H](C)C2 86725829 PRICYEPTSYTTMV-JTQLQIEISA-N 279.336 1.925 0 50 CDAA O=C(N[C@]1(C(=O)O)C[C@H](O)C1)c1cccc2ccccc12 1608493964 HYVXISUJIVTOCK-AITUWYQGSA-N 285.299 1.548 0 50 CDAA C[C@@H]1C[C@H]1C(=O)Nc1cnc2cc(C(=O)O)ccn12 1615055229 KLQVSQUGUPXFMB-VXNVDRBHSA-N 259.265 1.627 0 50 CDAA Cc1cc(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)on1 1615588498 BPZXKSLPDBVJOQ-LBPRGKRZSA-N 278.356 1.048 0 50 CDAA N[C@@]12CCC[C@H]1CN(C(=O)c1cccc3c1CCOC3)C2 1615547079 NOWNBKSWRUOWNM-SUMWQHHRSA-N 286.375 1.713 0 50 CDAA Cc1ccccc1C(F)(F)C(=O)N[C@H]1CC(=O)N(C)C1 1647001768 SSBZHYHUJNZRBS-JTQLQIEISA-N 282.290 1.434 0 50 CDAA C[C@@H]1C[C@H]2CN(C[C@H]3CC[C@H](O)CC3)CCN2C1=O 1875308225 VAURZFFFLBYTQP-YIYPIFLZSA-N 266.385 1.090 0 50 CDAA Cc1cccn2c(CC(=O)Nc3cnn(C)c3C)cnc12 1506426833 JEDAUIATFJNPJM-UHFFFAOYSA-N 283.335 1.866 0 50 CDAA COc1ccc(CC(=O)Nc2cn(C)nc2C)c(OC)c1 1506399989 SBZOBJQUXOKWQC-UHFFFAOYSA-N 289.335 1.927 0 50 CDAA CN(Cc1nccs1)C(=O)[C@H]1CCn2nccc2C1 1857700888 NSKLYUMJGYDOPZ-JTQLQIEISA-N 276.365 1.561 0 50 CDAA CN(C)c1nccnc1N(C)CCN(C)C1CCCC1 1506420727 CCESQGQYRRSTDL-UHFFFAOYSA-N 277.416 1.853 0 50 CDAA CN(C)c1ccc(C(=O)Nc2cnn3c2NCCC3)cn1 1529114676 SHNISIACZONJPA-UHFFFAOYSA-N 286.339 1.412 0 50 CDAA CNc1ncnc2c1ccn2S(=O)(=O)c1ccccc1 230570722 LEVSJQBXAGKDIP-UHFFFAOYSA-N 288.332 1.710 0 50 CDAA in-vitro CC[C@H](NS(=O)(=O)[C@@H]1CCOC1)[C@H]1CC1(C)C 331974678 WZMSIAIBARPILM-MXWKQRLJSA-N 261.387 1.519 0 50 CDAA COc1ccc(CC(=O)N(CC(=O)O)C2CC2)c(Cl)c1 237172464 SUGFRLBDKAVPFF-UHFFFAOYSA-N 297.738 1.967 0 50 CDAA Cc1n[nH]cc1C(=O)N1CC[C@](CO)(C(C)C)C1 335334132 NLFIRJWAMLFFJL-ZDUSSCGKSA-N 251.330 1.199 0 50 CDAA CCc1ccccc1CN1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704309228 OFYDVXRWUMUYPR-IYBDPMFKSA-N 289.331 1.610 0 50 CDAA COc1cnn(CC(=O)N(C)Cc2cccs2)c1 585122890 GMEPTYAVXIYHIA-UHFFFAOYSA-N 265.338 1.612 0 50 CDAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(N(C)C)nc1 121965614 AKHLLJDLOSYWSL-AAEUAGOBSA-N 276.384 1.490 0 50 CDAA Cc1nsnc1C(=O)NCCCc1csc(N)n1 1775983480 MBVIJEXDOJGQBD-UHFFFAOYSA-N 283.382 1.248 0 50 CDAA CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)CCC1=O 12245500 GUHYBXLCFFWUSL-UHFFFAOYSA-N 278.356 1.228 0 50 CDAA Nc1cncc(N2CCO[C@H](c3ccccn3)C2)n1 1857675102 LAVNGMAAMQLVIT-NSHDSACASA-N 257.297 1.032 0 50 CDAA CN(Cc1nc(O)c2ccccc2n1)c1n[nH]c(=N)s1 1857677193 RJDZQSPRAMBDRK-UHFFFAOYSA-N 288.336 1.236 0 50 CDAA C[C@@H](O)CN1CCC(CN(C)c2cnccn2)CC1 112556444 PKDRIIYUODSLHU-GFCCVEGCSA-N 264.373 1.006 0 50 CDAA Nc1cccc(-c2ccc([C@@H]3CNC(=O)C3)cc2)n1 1875242476 VEXRVAFTJVPAEL-LBPRGKRZSA-N 253.305 1.934 0 50 CDAA CCCn1ncnc1CN1CCCC[C@H]1c1n[nH]c(C)n1 408469863 WGMQRXCAOMVVEP-LBPRGKRZSA-N 289.387 1.842 0 50 CDAA COC(=O)c1ccc(C)c(NC(=O)Cc2cncnc2)c1 225554935 ZTSNOBDVWGSCGE-UHFFFAOYSA-N 285.303 1.753 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)Cc1cccnc1 328614262 ADZAKHCQKOTZIV-CQSZACIVSA-N 284.363 1.542 0 50 CDAA O=C(O)CC[C@@H]1N=C(S)N(c2ccccc2)C1=O 5933824 ULKNJYDXLYMGFB-VIFPVBQESA-N 264.306 1.552 0 50 CDAA in-vitro COCc1nc(C)cc(N2C[C@@H]3CCN(C)C[C@@H]3C2)n1 585092394 URNZPVUVRXUPOS-QWHCGFSZSA-N 276.384 1.319 0 50 CDAA CCCCCOCC(=O)N[C@H]1c2ccccc2C[C@@H]1O 267101052 OYLNWLKSZKOYHI-HOCLYGCPSA-N 277.364 1.968 0 50 CDAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c(C)o1 1704313845 KVUKBMCAODSAGZ-OLZOCXBDSA-N 278.352 1.299 0 50 CDAA c1ccc2nc(N3CCN(Cc4cn[nH]c4)CC3)cnc2c1 829079748 BYJRMFVEQKLANT-UHFFFAOYSA-N 294.362 1.675 0 50 CDAA CCN1CCC[C@H](NC(=O)C2(COC)CCCC2)C1=O 928867950 QAXNZSYJQLAWFN-LBPRGKRZSA-N 282.384 1.320 0 50 CDAA COCc1nccc(N2CC[C@H](N(C)C)[C@@H]2C)n1 928995733 IYNHGTIAPYEZJA-QWRGUYRKSA-N 250.346 1.152 0 50 CDAA CN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1COCO1 864095697 WQWAROPXCLLJJF-SNVBAGLBSA-N 286.278 1.479 0 50 CDAA CCCOc1cccc(NC(=O)[C@]2(N)CC[C@H](O)C2)c1 952884252 RPOJIQADDSFYRL-WFASDCNBSA-N 278.352 1.656 0 50 CDAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNCc3n[nH]cc3C)C2)n1 952890626 WUZFFSZNVJKJOZ-DMDPSCGWSA-N 291.355 1.054 0 50 CDAA Cn1nccc1C1(O)CCN(C(=O)OC2CCC2)CC1 952884093 WQUZZXZXRUSFFN-UHFFFAOYSA-N 279.340 1.393 0 50 CDAA COc1nscc1[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 1875285165 FGALUVJLZAVEJF-KXUCPTDWSA-N 254.355 1.739 0 50 CDAA Cc1ccc(CNCc2nc(O)cc(CN)n2)c(C)c1C 1875283180 INDZDNTXKVFKMQ-UHFFFAOYSA-N 286.379 1.856 0 50 CDAA CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cc[nH]c2C)C1 1875263930 AEYWBNPJRLIRPG-CMPLNLGQSA-N 290.323 1.617 0 50 CDAA Cc1noc(C)c1S(=O)(=O)NC1C[C@@H]2CC[C@H](C1)O2 1875298229 SGVZJFXXKHXHJE-FGWVZKOKSA-N 286.353 1.280 0 50 CDAA Cc1nc[nH]c1CNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1875293143 DROLXRRYVXFREN-APPZFPTMSA-N 289.339 1.393 0 50 CDAA CCn1ncc(C(=O)NCCCc2cccnc2)c1C 1875275174 PDWWVDGDCUNPOC-UHFFFAOYSA-N 272.352 1.969 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C)c1ccn(C(C)C)n1 1875370174 DZCJYGBMAJSWQD-LLVKDONJSA-N 278.356 1.286 0 50 CDAA O=C(O)c1cc(CCNC(=O)[C@@H]2[C@H]3CC(F)(F)C[C@H]32)[nH]n1 1875307771 UTPQTCSRWXSSSN-MBTKJCJQSA-N 299.277 1.058 0 50 CDAA Cc1noc([C@H]2OCC[C@H]2CNCc2conc2C)n1 886081942 JIUGAMCENYQESR-JQWIXIFHSA-N 278.312 1.542 0 50 CDAA Cn1cnc(-c2nc(C[C@@H]3COc4ccccc43)no2)n1 897086618 NGXZFODJXJQSGT-SECBINFHSA-N 283.291 1.584 0 50 CDAA CN(CCC(=O)O)C[C@@H]1CCN(Cc2ccccc2)C1 237242135 WIGMNAXLIQBXKE-HNNXBMFYSA-N 276.380 1.915 0 50 CDAA C[C@@H]1C[C@H](N(C)C(=O)CCC2CCNCC2)CCN1C 237585077 MHGPYHKZSMLRJJ-UKRRQHHQSA-N 281.444 1.707 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)CN2C[C@H]3CCC[C@H]32)C1 252511491 HHERRFZGXGBAHR-XJFOESAGSA-N 250.386 1.975 0 50 CDAA C[C@@H]1CCC[C@@H](NC(=O)N2CCC(O)CC2)[C@@H]1C 253411658 XMUGCDFPVPOERC-NQBHXWOUSA-N 254.374 1.977 0 50 CDAA Cc1ncn(C[C@H](O)CC(F)(F)F)c(=O)c1C 189424823 AZIVQUFTWFOCDJ-MRVPVSSYSA-N 250.220 1.173 0 50 CDAA C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@]1(C)CN 312288147 LHCAJBUUWXJYMH-CZUORRHYSA-N 276.380 1.899 0 50 CDAA NCC[C@H]1CN(Cc2ccc3nsnc3c2)CCO1 426498634 PSPFBEXEDDJJOD-NSHDSACASA-N 278.381 1.241 0 50 CDAA C[C@H](O)CCCN[C@@H]1CCCC[C@@H]1S(C)(=O)=O 331166243 BGCOPQSAOAZNBG-TUAOUCFPSA-N 263.403 1.093 0 50 CDAA O[C@@]1(C(F)(F)F)CCCN(Cc2cc[nH]n2)CC1 336513144 UKIFGLFIHDPZPA-JTQLQIEISA-N 263.263 1.689 0 50 CDAA NCC[C@@H]1CN(c2ccnc(C(F)(F)F)n2)CCO1 91663403 ZJSBGGIXWYWBMF-MRVPVSSYSA-N 276.262 1.049 0 50 CDAA COCC1(CNC(=O)[C@@H]2CC23CCNCC3)CCCC1 584888872 NWNRNVWWOFSDDC-ZDUSSCGKSA-N 280.412 1.699 0 50 CDAA Cc1cc(C)c(CN[C@@H](C)CN2CCOCC2)cn1 584899382 XAQBJVAUHHGQRZ-AWEZNQCLSA-N 263.385 1.509 0 50 CDAA O[C@H]1CN(CCC(F)(F)F)C[C@@H]1N1CCCC1 828896798 RUFMLFNWPAEBOS-UWVGGRQHSA-N 252.280 1.080 0 50 CDAA O=CN1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 86883 IXNCCSWNJMPOHZ-JTQLQIEISA-N 258.199 1.504 0 50 CDAA CCOC(=O)C(=CNc1ccc(F)cc1O)C(=O)OCC 4529646 WYVXDLFCUHNOOT-UHFFFAOYSA-N 297.282 1.953 0 50 CDAA O=C(c1ccc2[nH]ccc2n1)N1CC2(CCCNC2)C1 2325798056 KRNIUTUFCLSDCT-UHFFFAOYSA-N 270.336 1.389 0 50 CDAA O=C([C@@H]1C[C@@H]2CC[C@@H]2C1)N1C[C@@H](F)C[C@@H]1c1nn[nH]n1 2325807259 MAABRHHHZKYWKY-UNQZSWDGSA-N 279.319 1.247 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(O)cc1 196275 HISCDCVFARLHJY-LBPRGKRZSA-N 276.292 1.535 0 50 CDAA O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)CC1 198812 SDNNRTLGUAEQKY-UHFFFAOYSA-N 288.303 1.861 0 50 CDAA Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)no1 204976 BBMYBQROGHDTTP-IUCAKERBSA-N 250.254 1.589 0 50 CDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCOCC1 270302 CYBRIQHPBFZKMR-UHFFFAOYSA-N 285.365 1.333 0 50 CDAA CC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 286064 JYLJULSIFMBCJA-UHFFFAOYSA-N 253.323 1.674 0 50 CDAA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)O 434140 KAZZPXMHIZJNFS-QMMMGPOBSA-N 252.222 1.390 0 50 CDAA biogenic C[C@@]12CC=CC[C@@H]1C(=O)N(NC(=O)c1ccncc1)C2=O 608624 MQYZDMZAKBNCHC-IAQYHMDHSA-N 285.303 1.068 0 50 CDAA Cc1nc(CN2CCC[C@@]23CCCN(C)C3=O)cn1C 2356164332 OZROPUZTOATYNK-OAHLLOKOSA-N 276.384 1.315 0 50 CDAA COCCNC(=O)C(=O)Nc1ccc(OC)c(Cl)c1 2850064 DSCNBRKMPDSODO-UHFFFAOYSA-N 286.715 1.050 0 50 CDAA CC[C@@H](C)NC(=O)C(=O)NCc1ccc(F)cc1 2851008 QFFMFBUKCZALKI-SECBINFHSA-N 252.289 1.357 0 50 CDAA O=C(NCCCc1ccccc1)C(=O)Nc1nccs1 3004771 YCYHFLCWPSWHGR-UHFFFAOYSA-N 289.360 1.831 0 50 CDAA NC(=O)[C@@H]1CCCc2c1[nH]c1c(C(=O)O)cccc21 4029561 LATKPJLZFSPXHT-SECBINFHSA-N 258.277 1.771 0 50 CDAA biogenic O=C1C2=C(SCCS2)C(=O)N1c1ccccc1O 4948004 DUAFVRAYAGJDGN-UHFFFAOYSA-N 279.342 1.957 0 50 CDAA Cc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 4952256 KXIAIEVEICJQOZ-LBPRGKRZSA-N 267.350 1.254 0 50 CDAA CC1=C(C)C[C@@H](C(=O)N2CCOCC2)[C@H](C(=O)O)C1 6726502 SJWYJMJTBMPVLL-VXGBXAGGSA-N 267.325 1.292 0 50 CDAA CCOC(=O)[C@](C)(O)CN(C)[C@@H]1CC[C@@H](SCC)C1 222324866 NFUOPTAWQCUYHU-YRGRVCCFSA-N 289.441 1.907 0 50 CDAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)CC(C)(C)O 347072923 GZGMAXLZOMOGON-YNEHKIRRSA-N 285.384 1.190 0 50 CDAA Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)[nH]n1 225523674 BXFPXUZSABVPFR-CYBMUJFWSA-N 284.319 1.031 0 50 CDAA Cc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2ncnn21 9669341 AHFGPEOCBDBJNG-JTQLQIEISA-N 271.280 1.109 0 50 CDAA Cc1ccc2c(Cn3c(=O)ncn3C)cc(=O)oc2c1C 225590584 GORLNVGKKTUTMI-UHFFFAOYSA-N 285.303 1.353 0 50 CDAA COCC[C@H](CO)NC(=O)Cn1cc(C)c2ccccc21 225624956 RGZMJMULUIZHPE-CYBMUJFWSA-N 290.363 1.463 0 50 CDAA COc1cccc(SCCC(=O)N2CCN(C)CC2)c1 225794676 XVFBIDMXGJOVBK-UHFFFAOYSA-N 294.420 1.951 0 50 CDAA CC[S@](=O)CC(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 225706966 VLIVOVRWFIIIDK-FTIRYDQDSA-N 298.452 1.088 0 50 CDAA COc1c(C)cc(S(=O)(=O)Nc2nnc[nH]2)cc1C 113700359 YASHRUMTSUGURD-UHFFFAOYSA-N 282.325 1.231 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1Cc1cccnc1)[C@H]1C=C[C@H]2C12CC2 100745306 BWNLPRKWWSDRAY-MQYQWHSLSA-N 280.327 1.779 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccncc1)[C@H]1C=C[C@H]2C12CC2 101839262 QAVCKCYIYXBEKS-NDBYEHHHSA-N 266.300 1.783 0 50 CDAA O=C(NCCCN1CCCC1)c1cc(=O)[nH]c2ccccc12 61547452 PRIHSXPFCGKFPP-UHFFFAOYSA-N 299.374 1.744 0 50 CDAA CCc1nc(C)c(C(=O)N(C)Cc2snnc2C)o1 65528153 XPHQVTANRPPUOL-UHFFFAOYSA-N 280.353 1.978 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(C)c(OC)c1 344831486 CHYSZNSOZWEAAI-UONOGXRCSA-N 293.363 1.880 0 50 CDAA NCCS[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1=O 20457732 MQEKXEWNTNOXOW-LLVKDONJSA-N 282.340 1.145 0 50 CDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnn(C)c1 248101983 FBHKQZQPTQAVNP-UHTWSYAYSA-N 291.351 1.366 0 50 CDAA NC[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C1 67982054 LIIGSTKTQLUFEX-LBPRGKRZSA-N 269.352 1.319 0 50 CDAA CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)C[C@@H]1O 1099686821 LBPJTDGPIAGIOF-KBPBESRZSA-N 296.436 1.990 0 50 CDAA COc1ccc(-c2n[nH]cc2CN[C@@H](C)CO)cc1 67946236 IGFYNJGWZRIFOL-JTQLQIEISA-N 261.325 1.556 0 50 CDAA Cc1cc(N2C[C@H]3COC[C@@H](C2)O3)nc(-c2cccnc2)n1 328791763 MFFYVNIKPQTOKT-OKILXGFUSA-N 298.346 1.451 0 50 CDAA Cc1cc(=O)c2cc(-n3cc(CCO)cn3)ccc2[nH]1 65505926 UCSCOVZXTYKARR-UHFFFAOYSA-N 269.304 1.557 0 50 CDAA Cc1ccc(C)c([C@@H]2CN(C(=O)CCN)[C@H](C)CO2)c1 119065958 LKEVFEUBNCOJDV-HIFRSBDPSA-N 276.380 1.941 0 50 CDAA CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)C)[C@H]2C)n1 328592399 YPYCYPPKSXQXBE-DGCLKSJQSA-N 264.373 1.629 0 50 CDAA CC(=O)NC(C)(C)c1noc([C@H]2CCO[C@H]2C(C)C)n1 252508778 XTFFUYRWGRXDIA-QWRGUYRKSA-N 281.356 1.969 0 50 CDAA CCc1ccc(CN2CCN(C[C@H](C)O)C[C@H]2C)o1 252537673 MAIUAAOVLDGJSY-OLZOCXBDSA-N 266.385 1.729 0 50 CDAA COc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(C)(=O)=O 72117704 UKEJNYRKVQKYDG-NSHDSACASA-N 285.365 1.847 0 50 CDAA Cn1cc(C(=O)N[C@@H]2CC[C@@H](CN)C2)c(-c2ccccc2)n1 423746427 PGWHBUKJQXXTSO-TZMCWYRMSA-N 298.390 1.944 0 50 CDAA CSCc1ccc(C(=O)N[C@@H](C)c2nc(=O)[nH][nH]2)o1 215633223 KCJKYAPNGUWUOG-LURJTMIESA-N 282.325 1.045 0 50 CDAA O=C(N1CCc2c(nc[nH]c2=O)C1)C1(c2ccccc2)CC1 72121088 UBYHWNBQVSGMFD-UHFFFAOYSA-N 295.342 1.386 0 50 CDAA CCn1cnnc1[C@H]1CN(CC(O)(CC)CC)CCO1 328625862 DONSSMYPPXHOGH-GFCCVEGCSA-N 282.388 1.222 0 50 CDAA COc1ccc(F)c(F)c1CN(C)C[C@H]1COCCO1 216472329 ZQYOXRXSVJBWHV-JTQLQIEISA-N 287.306 1.821 0 50 CDAA CC(C)c1nc([C@H]2COCCN2C(=O)C2CC2)no1 329586347 YKRVCBWZCOLYCO-SNVBAGLBSA-N 265.313 1.503 0 50 CDAA CCN1CC2(CCN(C[C@@H]3CCCO3)CC2)OC1=O 77457269 UPFSYWZNODUCLI-LBPRGKRZSA-N 268.357 1.472 0 50 CDAA CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5 218403612 BQJCRHHNABKAKU-DOVXUCIZSA-N 285.343 1.198 0 50 CDAA Cc1ncc2c(n1)CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C2 366327235 YPRQJZASYFDQEO-DGCLKSJQSA-N 276.384 1.132 0 50 CDAA O=C(O)[C@@H]1CC12CCN(C(=O)CCc1ccccn1)CC2 262529282 PFNYJKRBPUSMJT-ZDUSSCGKSA-N 288.347 1.728 0 50 CDAA O=C(O)c1cccc(CN2CCC[C@@H](c3ncn[nH]3)C2)c1 215591028 AIDXRSVRNBNYHV-CYBMUJFWSA-N 286.335 1.883 0 50 CDAA C[C@]1(CNC(=O)CCc2cscn2)CCOC1 332292627 HTGJZXSZXWLHIN-GFCCVEGCSA-N 254.355 1.619 0 50 CDAA Cc1nc(C)c(Cn2cnnc2[S@](C)=O)s1 332598919 ALPXMGILGAYQBB-INIZCTEOSA-N 256.356 1.137 0 50 CDAA CN1CC[C@H](NC(=O)[C@@H]2CC23CCCCC3)C1=O 336288157 UCDMLXLROGOQLG-QWRGUYRKSA-N 250.342 1.304 0 50 CDAA CC(C)(C)OC(=O)N1CC(S(=O)(=O)C(C)(C)C)C1 216708311 SJBWBVXGYAPVFM-UHFFFAOYSA-N 277.386 1.819 0 50 CDAA CCN1CC2(CCN(C(=O)c3ncoc3C)CC2)CC1=O 72420235 HPUUIDHPDNCANL-UHFFFAOYSA-N 291.351 1.458 0 50 CDAA C[C@H](C(=O)O)N1CCN(c2cc(F)ccc2F)CC1 237441323 VHNSOMLGZMGWNH-SECBINFHSA-N 270.279 1.560 0 50 CDAA O=C(NC[C@@H]1CCCOC1)N[C@@H]1CCN(CC(F)F)C1 333901607 IVPVMWBVLMWJPG-WDEREUQCSA-N 291.342 1.052 0 50 CDAA OCCN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280285229 DXIZNTWZGFHGSR-SKDRFNHKSA-N 275.270 1.805 0 50 CDAA CN(Cc1nncn1C)C(=O)[C@H]1COc2ccccc2C1 377101945 VWWBTDDOSLKBHZ-GFCCVEGCSA-N 286.335 1.025 0 50 CDAA N[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CN2CCCC2)C1 237932695 YIDUCLMCGDDUNA-MGPQQGTHSA-N 265.401 1.201 0 50 CDAA C[C@@H](C(=O)NCCO[C@@H]1CCCC[C@H]1C)n1cncn1 240555813 GXJWKJYBVGFUJW-FRRDWIJNSA-N 280.372 1.551 0 50 CDAA C[C@@H]1CCC[C@@H]2CCCN(CCN3CCNC3=O)[C@H]12 242100104 WEIVKEJJXIIWAS-MGPQQGTHSA-N 265.401 1.912 0 50 CDAA O=C(NCc1ccoc1)[C@H]1CC(=O)N(C2CCCC2)C1 49002749 RBIVOHINLIPLNF-LBPRGKRZSA-N 276.336 1.687 0 50 CDAA CCCc1occc1C(=O)N1CCOC[C@H]1C(=O)O 263191110 SVVLKPZAYUFKKH-JTQLQIEISA-N 267.281 1.158 0 50 CDAA CCC[C@@H]1CN(Cc2ccccn2)C[C@H]1NS(C)(=O)=O 82107979 ISKSXZQOCFGNOH-TZMCWYRMSA-N 297.424 1.231 0 50 CDAA COc1ccnc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)n1 223502686 XVAQCVWINCXNHM-YXCITZCRSA-N 290.367 1.149 0 50 CDAA Cc1cc2c(cc1C)[C@@H](C(=O)NC1(C(=O)O)CCC1)CO2 263521993 HQKYKKUPCKHOKE-LBPRGKRZSA-N 289.331 1.903 0 50 CDAA CCn1ncnc1[C@H](NC(=O)c1cccnc1O)C1CC1 222737043 GWCUTIZWQPMKLY-LLVKDONJSA-N 287.323 1.280 0 50 CDAA COC[C@@H]1CCN(C(=O)CCCn2cccn2)C1 223755371 NCPQVHGIRYBZPP-GFCCVEGCSA-N 251.330 1.158 0 50 CDAA COC(=O)N[C@H](C)C(=O)NCc1cc(C(C)(C)C)n[nH]1 223176174 PCYFZZNJUZDEIS-MRVPVSSYSA-N 282.344 1.068 0 50 CDAA Cc1cc(CNC(=O)[C@@H](O)c2ccc(F)cc2)ccn1 220125838 SVHJWQNRITWJNU-AWEZNQCLSA-N 274.295 1.879 0 50 CDAA O=C(CCCn1cncn1)NCCc1nc2ccccc2o1 222966992 JKEZWAVXVMERMF-UHFFFAOYSA-N 299.334 1.558 0 50 CDAA COCCC[C@@H]1CCCN(C(=O)Cn2ccnc2C)C1 82125748 YOIBNADMYPJFAJ-AWEZNQCLSA-N 279.384 1.857 0 50 CDAA Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1C(=O)O 237662869 AFDMWTCCDJDJMV-SECBINFHSA-N 286.715 1.645 0 50 CDAA Cc1nc(C)c(C)c(N[C@H](C(=O)N(C)C)C(C)C)n1 91644288 VJJODOUZQWDIOA-LBPRGKRZSA-N 264.373 1.927 0 50 CDAA CCn1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cn1 91807076 XAXWODCOMZAIBJ-NWDGAFQWSA-N 277.324 1.086 0 50 CDAA CNC[C@@H]1CCCN1S(=O)(=O)c1sccc1OC 237161960 REOKVLKIGPTDBG-VIFPVBQESA-N 290.410 1.129 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)NCc2ccccc2CO)C1 237976750 QAZQUNZDHXXPQG-SMDDNHRTSA-N 262.353 1.313 0 50 CDAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc[nH]1)C2 91416545 WTEWUPKEZLGRTR-NWDGAFQWSA-N 261.325 1.098 0 50 CDAA CCN(Cc1c(F)cccc1F)C(=O)[C@H]1COCCN1 236910079 OUUXENHZVFTUOX-CYBMUJFWSA-N 284.306 1.302 0 50 CDAA CCn1ncnc1[C@@H](NC(=O)[C@H]1CC[C@@H](O)CC1)C1CC1 244723551 MDOZDSSRSYZDNY-XQQFMLRXSA-N 292.383 1.416 0 50 CDAA COc1cc(Cl)ccc1C(=O)N[C@@H]1CCOC1 179051472 SYIPAPWLMPENKT-SECBINFHSA-N 255.701 1.867 0 50 CDAA Cn1cc(Cl)cc1C(=O)NCC[C@@H]1CCOC1 344738756 WQFTWOIEKPUSPK-SECBINFHSA-N 256.733 1.835 0 50 CDAA Cc1cc([C@H]2CCCN2CC(=O)Nc2ccn(C)n2)on1 244828485 TWVXYPITAMETOL-LLVKDONJSA-N 289.339 1.492 0 50 CDAA Cc1nc(CN(C)CC(=O)NCCc2ccccc2)no1 244875060 XLXCZAXTHBQJRW-UHFFFAOYSA-N 288.351 1.169 0 50 CDAA CCn1ccc(CN2CCO[C@@H](CCOC)C2)n1 252490596 KXNOLBOMIJPQDS-ZDUSSCGKSA-N 253.346 1.140 0 50 CDAA NC[C@@H]1CCN(CC(=O)NCCc2cccc(Cl)c2)C1 50248797 PRWSTNFPEQODDP-ZDUSSCGKSA-N 295.814 1.279 0 50 CDAA CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 264819532 XCZSMWRPOYMQFP-GFCCVEGCSA-N 294.782 1.867 0 50 CDAA CN(C)CC(C)(C)NC(=O)c1cc(Cl)cn1C 457208673 BPBSNBUKVFGOFM-UHFFFAOYSA-N 257.765 1.749 0 50 CDAA CCn1ncnc1CNCc1ccccc1-n1ccnc1 638421079 PLHJHHNOOXZHDS-UHFFFAOYSA-N 282.351 1.774 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(C)=O 1940195576 YZNVZWXGSWMINH-BFHYXJOUSA-N 282.384 1.319 0 50 CDAA CC(C)c1ccc(C(=O)NC2CCOCC2)c(=O)n1C 299767347 GBSYKXQEYRRYFI-UHFFFAOYSA-N 278.352 1.418 0 50 CDAA CCn1cc(NC(=O)N[C@@H]2COc3ccccc3C2)nn1 299776828 MGGGXPLKJWVFNF-NSHDSACASA-N 287.323 1.423 0 50 CDAA CC(C)CN1CCN(CCCn2cccn2)C[C@H]1CCO 828747222 JULKFGCENXZHFE-MRXNPFEDSA-N 294.443 1.298 0 50 CDAA C[C@H](CN1CCCC1)C(=O)NCc1cccc(CO)c1 828827561 DGVPQZSJRFFOLE-CYBMUJFWSA-N 276.380 1.527 0 50 CDAA Cc1nccn1[C@@H](C)CC(=O)N(C)CCn1ccnc1 584886004 WYKZTAQVAYLQHL-LBPRGKRZSA-N 275.356 1.498 0 50 CDAA O=C(O)CCNC(=O)NCc1nncn1C1CCCCC1 828022270 MXDPJYGJIQFHCD-UHFFFAOYSA-N 295.343 1.057 0 50 CDAA Cn1cc(CCCn2cnc3ccncc3c2=O)cn1 584899084 VQVVGGCMHRYMHD-UHFFFAOYSA-N 269.308 1.158 0 50 CDAA O=C1CC[C@H](C(=O)Nc2ccccc2CN2CCCC2)N1 828275961 BGSLIHUXLBEEIA-CQSZACIVSA-N 287.363 1.500 0 50 CDAA CO[C@H]1CN(C(=O)Cc2cc(C)cc(C)c2)C[C@@H]1O 584888326 GAWJOEBAYXLSPU-KBPBESRZSA-N 263.337 1.064 0 50 CDAA CO[C@H](C(=O)NCc1nonc1C)c1ccccc1 584892627 SZAMCCGMCMZLAA-LBPRGKRZSA-N 261.281 1.382 0 50 CDAA Cc1ncc(CN2CCC[C@@H](CN3CCOCC3)C2)n1C 668108351 ZEUNJKFPCGRZGG-HNNXBMFYSA-N 292.427 1.273 0 50 CDAA CC1=NO[C@@H](COC(=O)CN2CCCCCCC2=O)C1 585135773 AXDAEKOILQCDBJ-GFCCVEGCSA-N 282.340 1.487 0 50 CDAA c1cnn(CCCN2CCC[C@@H](c3nc[nH]n3)C2)c1 670449844 AJLYTSZEDBDCAV-GFCCVEGCSA-N 260.345 1.271 0 50 CDAA CC(C)C1=NO[C@@H](C(=O)NCCCc2cnn(C)c2)C1 952868470 PNTPVCMXUVFKGP-CYBMUJFWSA-N 278.356 1.270 0 50 CDAA C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CCN1C 237638787 BHDWIVPTNXKBKP-SDDRHHMPSA-N 255.406 1.301 0 50 CDAA COCC[C@H](NC(=O)[C@@H](C)c1c(C)noc1C)C(=O)OC 408516955 NNXXZYAHDOLMRQ-KWQFWETISA-N 298.339 1.089 0 50 CDAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]([C@@H](C)N)C1 269231434 AOQWCKFXIRHPJK-ZWNOBZJWSA-N 294.399 1.002 0 50 CDAA CCCc1noc([C@H](C)OC(=O)c2cc[n+]([O-])cc2)n1 170593775 HJRJZBFHCDJPSO-VIFPVBQESA-N 277.280 1.574 0 50 CDAA CCOC[C@@H]1CCCN(C(=O)c2cnc(OCC)cn2)C1 188005964 QUBCCFCTDYJQON-GFCCVEGCSA-N 293.367 1.764 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](CO)C2)no1 191863607 JIKOTJCPLJQWQR-ZJUUUORDSA-N 252.314 1.498 0 50 CDAA Cc1nc(C)n(C2CN(C(=O)c3ccc(F)cc3O)C2)n1 646097950 ZHIXQQTZOGANRR-UHFFFAOYSA-N 290.298 1.437 0 50 CDAA Cc1nccc(N[C@H](C)C2(S(C)(=O)=O)CC2)n1 672328235 YATMPLWPTAASOL-MRVPVSSYSA-N 255.343 1.163 0 50 CDAA COc1ccc(=O)n(Cc2cc(C)sc2C)n1 194569202 DAEHIOYCOZWCOO-UHFFFAOYSA-N 250.323 1.979 0 50 CDAA O=C(NCc1cn(Cc2cccs2)nn1)C(F)(F)F 585091528 UGQCLTDRNRVBJX-UHFFFAOYSA-N 290.270 1.566 0 50 CDAA CC[C@H]1CN(c2nc(O)c3cnn(C)c3n2)[C@H](CC)CO1 585090410 LDLKJWQBHLQUCQ-ZJUUUORDSA-N 291.355 1.463 0 50 CDAA COC(=O)c1ccc(N2CC[C@@H](c3ccncc3)C2)nn1 599105413 ZSSJNNPOTLZGFW-GFCCVEGCSA-N 284.319 1.652 0 50 CDAA Cn1nccc1[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)O 699955642 UXTOKURJMNBAJB-KKZNHRDASA-N 279.340 1.344 0 50 CDAA COC1([C@H](C)NC(=O)c2ccc(N(C)C)nn2)CCC1 1615049136 BPONUSRDQLKWID-JTQLQIEISA-N 278.356 1.230 0 50 CDAA Cc1ccccc1-n1nc(C)c(CNS(C)(=O)=O)c1C 1615576940 QNIONJZZPUSASZ-UHFFFAOYSA-N 293.392 1.847 0 50 CDAA Cn1ncc2c(N)nc(N[C@H]3COc4ccccc4C3)nc21 1506395215 DJVGJYHYYDURAA-SNVBAGLBSA-N 296.334 1.361 0 50 CDAA Cc1ccc(OC2CN(Cc3noc(C)n3)C2)cc1 1506418285 PONATTDPYRQBKW-UHFFFAOYSA-N 259.309 1.950 0 50 CDAA Cc1c(CO)sc2c(N3CCOCC3)nc(Cl)nc12 115417335 RHMSANMYURTZKH-UHFFFAOYSA-N 299.783 1.982 0 50 CDAA in-vitro CC[C@H](Nc1ncccc1C(=O)NC)c1ccnn1C 1529153528 DSHSLBOCTMDEID-NSHDSACASA-N 273.340 1.738 0 50 CDAA Cc1nc(CN2CCC[C@H](S(C)(=O)=O)CC2)cs1 331692127 XLNYUJNZUGPWMZ-LBPRGKRZSA-N 288.438 1.851 0 50 CDAA CC(C)[C@@H]1CN(C(=O)Nc2ccnnc2)CCO1 333916579 ZUVQMNVTHDTOLR-NSHDSACASA-N 250.302 1.365 0 50 CDAA CC(C)OC[C@H](C)N[C@@H](CO)Cc1ccccc1 242273490 YDBQGQPKXHUKQS-DZGCQCFKSA-N 251.370 1.993 0 50 CDAA CCN(CC(=O)NCC(=O)OC)c1ccccc1Cl 252497791 QPVJGIHNRZDHCE-UHFFFAOYSA-N 284.743 1.456 0 50 CDAA CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 12865726 YKMGFGLJZDYLBN-SNVBAGLBSA-N 264.300 1.705 0 50 CDAA COCCNCC[C@H]1CCC(=O)N1CCc1ccccc1 14999153 LFNJXNCQRGZCKB-MRXNPFEDSA-N 290.407 1.846 0 50 CDAA Brc1cnc(OC2CCNCC2)nc1 16678705 BHBAYAHFPQOLRL-UHFFFAOYSA-N 258.119 1.370 0 50 CDAA CC(=Cc1ccccc1)CN1CCO[C@@H](C(N)=O)C1 1857529504 DSISZLPYVATPBF-CQSZACIVSA-N 260.337 1.276 0 50 CDAA Cc1cnnc(N2CC[C@@]3(CN(C)C(=O)O3)C2)c1C 1857674030 YGMQBBRYDZMEIF-CYBMUJFWSA-N 262.313 1.124 0 50 CDAA Cc1nn(C)c2c1[C@@H](NC(=O)Cn1cccn1)CCC2 1857682042 MKNVRYYVAXWGBQ-NSHDSACASA-N 273.340 1.119 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ncnn1C(C)(C)C 408469781 QPRGHIOAEVENJM-VXGBXAGGSA-N 294.399 1.855 0 50 CDAA COC(=O)CCN(CCC(=O)OC)c1ccccc1 5141047 NQMXUYSFHRWLLV-UHFFFAOYSA-N 265.309 1.619 0 50 CDAA in-vitro NC(=O)c1cccc(CN2CCCC[C@H]2c2nc[nH]n2)c1 121700819 DCGYUDCGTLRYHP-ZDUSSCGKSA-N 285.351 1.631 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)C(=O)[C@H]1CCCOC1 328630875 QJAXCYWXPWKZOD-STQMWFEESA-N 277.368 1.331 0 50 CDAA c1cc(=N[C@@H]2CCCOC2)[nH]c(NC[C@@H]2CCCS2)n1 328622256 BASPIKIIWPYHGZ-NEPJUHHUSA-N 294.424 1.797 0 50 CDAA O[C@@]1(Cn2ccnn2)CCN(c2ccnc3ccccc23)C1 671466372 LSNLJMIXZGDXRJ-INIZCTEOSA-N 295.346 1.468 0 50 CDAA Cc1c(C(=O)NCc2nc(C(F)(F)F)n[nH]2)ccn1C 798994561 NQIJEGHLPCDHCB-UHFFFAOYSA-N 287.245 1.400 0 50 CDAA C[C@H](N)[C@@H](C)c1nc(CC(=O)Nc2ccc(F)cc2)no1 823015929 MGTKIQJECHUAOE-BDAKNGLRSA-N 292.314 1.841 0 50 CDAA Cc1cnc(CN2CCc3nc[nH]c3C23CCOCC3)nc1 931106443 GSEKGRBMVWSMDG-UHFFFAOYSA-N 299.378 1.572 0 50 CDAA C=CC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 848979225 KQABHSPMRCQCOC-CYBMUJFWSA-N 272.348 1.841 0 50 CDAA Cc1ccccc1CC1CN(C(=O)[C@@H](O)c2cnc[nH]2)C1 866464024 IDLQVLRIWCIOCO-HNNXBMFYSA-N 285.347 1.453 0 50 CDAA CCCOC(=O)CCN[C@@H](C)CCn1cccn1 952964900 XWTHIPWYQHTRRM-LBPRGKRZSA-N 253.346 1.595 0 50 CDAA CC(=O)Nc1nc(C(=O)N[C@H](C)c2ncccn2)cs1 1875286535 VLYGOXHRWCESPG-SSDOTTSWSA-N 291.336 1.383 0 50 CDAA C[C@@H](NS(=O)(=O)N1CCc2cccnc21)C1CCC1 1875290572 QJEGAWBCKPOTPZ-SNVBAGLBSA-N 281.381 1.467 0 50 CDAA COCc1ccnc(NC(=O)N[C@H]2CO[C@H](C3CC3)C2)n1 1875296646 HEEIOSPQEFXVOV-NEPJUHHUSA-N 292.339 1.312 0 50 CDAA C[C@H](N)[C@@H]1CCCN(c2nnc(-c3ccon3)s2)C1 1875282261 VMRPHGCNFUEMDV-DTWKUNHWSA-N 279.369 1.757 0 50 CDAA Cc1cncc(CNC(=O)Cn2ccc(C(F)(F)F)n2)n1 1875298296 WERZUIXTRKECML-UHFFFAOYSA-N 299.256 1.317 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@@H]1c2ccccc2C(=O)N1C 1875377044 QIRCMFCSYPYCDY-VIIAAUOXSA-N 287.363 1.047 0 50 CDAA O=C1N[C@H](C(=O)NC2C3(CC3)C23CC3)C2(CCC2)O1 1875323426 ILDHELWELUSEPL-MRVPVSSYSA-N 262.309 1.076 0 50 CDAA O=C(CCc1cccc(O)n1)N1C[C@H]2[C@@H](O)CCC[C@H]2C1 1875312014 GAKDSVJDMDVNOO-YUTCNCBUSA-N 290.363 1.339 0 50 CDAA COc1cccc(Cc2noc([C@H]3CNC[C@@H](C)O3)n2)n1 888078218 AIFHBPKPPPGNQG-MWLCHTKSSA-N 290.323 1.113 0 50 CDAA Cn1nccc1[C@@H]1CCCN(c2nccn3ccnc23)C1 891915116 FQZLHUXKQFVXIO-GFCCVEGCSA-N 282.351 1.847 0 50 CDAA Cc1cc(O)nc(NCCC2(CS(C)(=O)=O)CC2)n1 1775270717 GLCRCNNAAGFXEA-UHFFFAOYSA-N 285.369 1.117 0 50 CDAA O=C(c1cnn2ncccc12)N1CCCN2CCC[C@@H]2C1 1776002578 UBCNLQQPOZNGEF-GFCCVEGCSA-N 285.351 1.040 0 50 CDAA O=C(NC[C@@H](CC1CC1)C(=O)O)[C@@H]1CC=CCC1 405417214 ORXYGJAIWVENHU-VXGBXAGGSA-N 251.326 1.960 0 50 CDAA N=c1[nH]c(C(=O)N[C@H]2COC3(CCCCC3)C2)cs1 426361939 LNTFGVKAYMZWNM-SECBINFHSA-N 281.381 1.777 0 50 CDAA CC1(CNC(=O)c2cnn([C@H]3CCCNC3)c2)CC1 333813588 JRXVZIKIAFCWME-LBPRGKRZSA-N 262.357 1.338 0 50 CDAA COc1csc(C(=O)N2CC(O)(C(F)F)C2)c1 335533854 MJVNEZLOUJYSTO-UHFFFAOYSA-N 263.265 1.209 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)COC1CCCCC1 377572859 VBFMDANOWIPNOT-NSHDSACASA-N 285.340 1.038 0 50 CDAA O=C1C[C@H](c2ccc(-c3n[nH]c(-n4ccnc4)n3)cc2)CN1 2100556435 NIOWAIYNQOOKOZ-LBPRGKRZSA-N 294.318 1.261 0 50 CDAA O=c1cc(CN2CCCc3ccccc3C2)nc2nc[nH]n12 2100556998 LSXNPAYDAFIRJD-UHFFFAOYSA-N 295.346 1.366 0 50 CDAA CC(C)(C)n1cc(C(=O)N[C@H]2C=CC[C@H](C(=O)O)C2)nn1 2325765500 IBPNORNHPZIEHI-UWVGGRQHSA-N 292.339 1.182 0 50 CDAA C[C@H]1CN(C(=O)Cn2nnc3ccccc32)Cc2cccn21 2325796946 ITAPKFPREOERCC-LBPRGKRZSA-N 295.346 1.836 0 50 CDAA Cc1ccc(CC[P@](=O)(O)CCC(=O)O)cn1 196457 GRUXIHAQIOQXMS-UHFFFAOYSA-N 257.226 1.678 0 50 CDAA COC(=O)c1ccc(NC(=O)NC(=O)C(F)(F)F)cc1 217617 VFSCHBVCAQAFOM-UHFFFAOYSA-N 290.197 1.684 0 50 CDAA COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1O 405992 DJCRXBNKTDNEAY-XCBNKYQSSA-N 255.295 1.189 0 50 CDAA Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)no1 456666 UOVGULBCCXCVSF-UHFFFAOYSA-N 285.259 1.218 0 50 CDAA CN(C)C(=S)Nc1ccccc1N1CCOCC1 610906 OWOQFKKPHWXCKM-UHFFFAOYSA-N 265.382 1.782 0 50 CDAA CCCCNC[C@@H](O)Cn1c(=O)sc2ccccc21 2496772 SXYOVIRNAGZSOM-LLVKDONJSA-N 280.393 1.814 0 50 CDAA Cc1nn[nH]c1C(=O)Nc1ccnn1Cc1ccncc1 2356149028 FWKNLAJBWONVFL-UHFFFAOYSA-N 283.295 1.005 0 50 CDAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(C)(=O)=O 4020000 DGKGNEDJNWYORV-OCCSQVGLSA-N 280.393 1.562 0 50 CDAA COC(=O)c1cccc(I)n1 4352701 GUTYNFXCTKHUAX-UHFFFAOYSA-N 263.034 1.473 0 50 CDAA Cc1cc(NC(=O)C(=O)NCc2ccccc2Cl)no1 4839881 CWYCEMXOJZXNBT-UHFFFAOYSA-N 293.710 1.891 0 50 CDAA C[C@@H](C(=O)N(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 6697797 GHAIFCKXCZDFTI-VIFPVBQESA-N 288.344 1.068 0 50 CDAA COc1ccccc1Cc1nnc(NS(C)(=O)=O)s1 6701343 YDXAUNFHLUXTIM-UHFFFAOYSA-N 299.377 1.509 0 50 CDAA Cc1cc(C)n2nc(N3C(=O)c4ccccc4C3=O)nc2n1 6703971 AKXZWECXUNDSGV-UHFFFAOYSA-N 293.286 1.542 0 50 CDAA CCn1c(Sc2ccc([C@@H](C)O)cc2)n[nH]c1=O 111576809 ZMYJLCKDCHABHI-MRVPVSSYSA-N 265.338 1.796 0 50 CDAA C[C@]12[C@@H]3C[C@@H]4[C@H]([C@@H]31)[C@H]2n1c(=O)n(-c2ccccc2)c(=O)n14 101049087 FQHFHRWUGUCAOG-AVGDNFBSSA-N 281.315 1.182 0 50 CDAA COc1ccccc1N1CCN(C(=O)[C@@H](C)O)[C@@H](C)C1 20600818 ZTUNLNWDOGJPEA-NWDGAFQWSA-N 278.352 1.113 0 50 CDAA O[C@H]1CCN(c2ccnc(NCCc3ccccn3)n2)C1 65381948 GQHDFYDWJLATPD-ZDUSSCGKSA-N 285.351 1.097 0 50 CDAA C[C@@H](Cn1cncn1)Nc1nccc(C(F)(F)F)n1 69192557 MKNXSIGMULKAOZ-ZETCQYMHSA-N 272.234 1.588 0 50 CDAA Cn1ncnc1CCNc1ncccc1C(F)(F)F 32592791 OKFLIRINLKMPQV-UHFFFAOYSA-N 271.246 1.884 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 229440576 GYPAPHTYEJAGEW-HZSPNIEDSA-N 292.383 1.483 0 50 CDAA C[C@H](CO)N1CCCN(c2ccncc2Cl)CC1 328593287 XCGIDELJFGXCOJ-LLVKDONJSA-N 269.776 1.628 0 50 CDAA Cc1cc(N)n(CC(=O)N2CC(Oc3ccccc3)C2)n1 215971413 UTYBMHQZOXXJLB-UHFFFAOYSA-N 286.335 1.064 0 50 CDAA CN(CC1CC1)C[C@H]1CN(Cc2ccn(C)c2)CCO1 328654459 XLZFGEASQVVKRR-INIZCTEOSA-N 277.412 1.568 0 50 CDAA Cc1cc(C2CCC2)nc(N(C)C[C@H]2COCCO2)n1 71763538 BMNMMJUJQULFDY-ZDUSSCGKSA-N 277.368 1.904 0 50 CDAA Cc1c(Br)c(C)n(C)c(=O)c1C(=O)O 217043212 RBFWWXBETNINOR-UHFFFAOYSA-N 260.087 1.463 0 50 CDAA COc1ccc2nc(C(=O)N3CCNC[C@H]3C)ccc2c1 124461348 IFSDIMUQELVTFC-LLVKDONJSA-N 285.347 1.677 0 50 CDAA O=C(O)CC1CCN(C(=O)Cc2ccco2)CC1 257633935 LHJWTMGQUNUXDQ-UHFFFAOYSA-N 251.282 1.535 0 50 CDAA C[C@@](O)(CNC(=O)C1(C(=O)O)CC1)c1ccc(F)cc1F 154947120 FJHQDQTZKNPHRR-CYBMUJFWSA-N 299.273 1.153 0 50 CDAA Cn1cc(C[C@H]2CCN(c3ncnc4[nH]ccc34)C2)cn1 364885824 MQBNKWAHRJKITI-LLVKDONJSA-N 282.351 1.760 0 50 CDAA C[C@H](N)C(=O)N1CCC(OCc2ccccc2F)CC1 158161191 LSISYYWVUCNCFY-NSHDSACASA-N 280.343 1.681 0 50 CDAA O=C(C1CC1)C1(C(=O)N2CC(OC(F)F)C2)CC1 450972372 VWKOGGIWSSBDRF-UHFFFAOYSA-N 259.252 1.196 0 50 CDAA COc1ccccc1N1CCN(C(=O)C(C)(C)OC)CC1 170966097 ZBBCZXJUIZYDHP-UHFFFAOYSA-N 292.379 1.769 0 50 CDAA C[C@H](CO)N(C)S(=O)(=O)c1cnc2ccc(F)cc2c1 332684868 OAADTERDJMCQMP-SECBINFHSA-N 298.339 1.375 0 50 CDAA Cc1nc([C@@H]2CCCN2C(=O)c2ncccc2O)n[nH]1 216007483 NMDSDXUNNGGXEA-VIFPVBQESA-N 273.296 1.191 0 50 CDAA CCCCc1ncc(CN2CCOC[C@H]2CC(=O)O)[nH]1 72163240 BZCFUOGVKAHSSA-GFCCVEGCSA-N 281.356 1.428 0 50 CDAA CCCOc1ccccc1C(=O)N[C@H]1CN(C)C[C@@H]1OC 218990180 BSPIYECKEBHFJB-ZFWWWQNUSA-N 292.379 1.534 0 50 CDAA C[C@@]1(NC(=O)c2cnc3[nH]c(O)nc3c2)CC=CCC1 333769026 RBJXCJQNKIFHCX-CQSZACIVSA-N 272.308 1.892 0 50 CDAA C[C@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCN1 237742596 HTGWTNZWVXZGMW-WFASDCNBSA-N 274.364 1.511 0 50 CDAA O=S(=O)(NC[C@H]1CCCCN1)c1cccc(F)c1F 237806548 LPBWHESIRIUIAK-SECBINFHSA-N 290.335 1.385 0 50 CDAA CCc1ccccc1C(=O)N[C@H](C(=O)O)[C@@H]1CCCOC1 262763036 ISWFQPLAJTWCOY-OCCSQVGLSA-N 291.347 1.859 0 50 CDAA CC(C)CN1CCN(C(=O)c2ccc(O)cn2)[C@@H](C)C1=O 223151862 JDXAKECCKVSWKR-NSHDSACASA-N 291.351 1.116 0 50 CDAA CC[C@@H](NS(=O)(=O)c1cc(C)cs1)[C@H]1C[C@@H](O)C1 222763608 DQWQWXSSIMVVGA-GMTAPVOTSA-N 289.422 1.884 0 50 CDAA CS(=O)(=O)CCNC(=O)CC12CC3CC(CC(C3)C1)C2 42126115 QYBZSHGIJMTSTI-UHFFFAOYSA-N 299.436 1.754 0 50 CDAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(C(=O)C=C2CCC2)CC1 285504712 MKDPGZABVFQUCT-DZGCQCFKSA-N 292.379 1.226 0 50 CDAA O=C(Cn1ccnc1)N[C@@H]1CCCN(Cc2cccnc2)C1 222540243 FWXQPJWFHWEIHO-OAHLLOKOSA-N 299.378 1.059 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)C(=O)c2cccnc2)nc1 222494988 VBBCXJYIHOZPGV-LLVKDONJSA-N 269.304 1.845 0 50 CDAA NCCc1ccc(C(=O)NCc2cccc(CO)c2)cc1 227281062 LRVXTQLNBVNRJB-UHFFFAOYSA-N 284.359 1.610 0 50 CDAA CNC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 97632011 AQTWQQDHSFJNHG-UHFFFAOYSA-N 251.286 1.148 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCc1ccncc1 239403203 RPUZUGCWRTXDBT-IGQOVBAYSA-N 286.331 1.263 0 50 CDAA Cc1nccn1CCCn1ncn2cccc2c1=O 95360928 MGUVNUIXOJZVEL-UHFFFAOYSA-N 257.297 1.091 0 50 CDAA NC[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 178519052 MWGBRBJTCBJKMS-LLVKDONJSA-N 298.333 1.931 0 50 CDAA Cc1cc(N2CCC(N3CCC(O)CC3)CC2)ccn1 95505811 DZEYNMNIGMAKGV-UHFFFAOYSA-N 275.396 1.816 0 50 CDAA O=S(=O)(C1CCOCC1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 245344004 WXHGLWVVUPGQNV-UKJIMTQDSA-N 271.382 1.226 0 50 CDAA COc1ccc2c(c1)N(Cc1ccnc(OC)n1)CCO2 294945150 CYWBESTUTZGLHP-UHFFFAOYSA-N 287.319 1.893 0 50 CDAA CCc1cccc2c1N(C(=O)c1c[nH]c(C(N)=O)c1)CC2 625184516 KOFKQFLJDHCLIP-UHFFFAOYSA-N 283.331 1.879 0 50 CDAA Cc1nnc(CN(C)C(=O)[C@H](CO)c2ccccc2)s1 620846757 FZONRXZWXIGJOA-GFCCVEGCSA-N 291.376 1.581 0 50 CDAA CCc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)[nH]1 534671629 AJYGWYSJTYQTQI-KBPBESRZSA-N 277.368 1.170 0 50 CDAA CC(C)[C@H](NC(=O)c1cncc(F)c1)c1ncnn1C 534647280 GOBUMJDNLAKOIY-NSHDSACASA-N 277.303 1.476 0 50 CDAA CC(C)[C@@H](NC(=O)CCc1ccnn1C)c1nccn1C 534651527 MBPOJZFOEYEVSK-CQSZACIVSA-N 289.383 1.600 0 50 CDAA Cc1cccn2c(CN3C[C@H](F)C[C@H]3C(N)=O)cnc12 299744439 OVYVYLWTBXVBLO-PWSUYJOCSA-N 276.315 1.040 0 50 CDAA CCCOc1ccccc1CCNC(=O)[C@@H]1C=CCN1 534653602 SABKWWJJPWDIPH-AWEZNQCLSA-N 274.364 1.662 0 50 CDAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@@]2(CCNC2)C1 534589627 ZGDBMAWECNBMDR-GUTXKFCHSA-N 266.385 1.140 0 50 CDAA O=S1(=O)CCCC[C@H]1CN=c1cc[nH]c2ccncc12 543189475 RAGYYCDLMBYOST-NSHDSACASA-N 291.376 1.431 0 50 CDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cccc(C)n1)CC2 299795081 LLLHQUVNTLTICH-DUVNUKRYSA-N 290.363 1.535 0 50 CDAA CC(C)C1=NO[C@H](c2ncnn2CC(C)(C)O)C1 820723172 YCTIYZOHHFQGET-JTQLQIEISA-N 252.318 1.522 0 50 CDAA Cc1nccn1C[C@@H](C)NCc1cccc(CO)c1 828827574 GJTVCIWCBGZKFV-GFCCVEGCSA-N 259.353 1.862 0 50 CDAA O=c1c2nccnc2ncn1Cc1ccc2c(c1)CCCO2 584896022 CXXCXYLVGBGWEC-UHFFFAOYSA-N 294.314 1.560 0 50 CDAA Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(O)ncn1 585137123 JNTGXTMLJUAQEW-NSHDSACASA-N 287.319 1.688 0 50 CDAA CCOC(=O)N1CC[C@H](N2Cc3nc(C)nc(O)c3C2)C1 584892240 ZUKOGLBXTMBJPY-JTQLQIEISA-N 292.339 1.037 0 50 CDAA O=C(CCC1=NNC(=O)CC1)NCCCn1cccc1 952982875 RKWAOCCOSBWOGG-UHFFFAOYSA-N 276.340 1.041 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C(C)(C)C)C1 958528546 QFGDSVRKXYGAKX-HZMBPMFUSA-N 272.389 1.732 0 50 CDAA Cc1nn(CCO)cc1CNCc1cc(CC(C)C)no1 952987565 NDRBTUWTQYHZFR-UHFFFAOYSA-N 292.383 1.660 0 50 CDAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cccn1C 1565526967 FOHOGRGUXOMPPB-ZFWWWQNUSA-N 292.379 1.895 0 50 CDAA CSCC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565510962 DMEOMTDILOZEJO-STQMWFEESA-N 296.392 1.235 0 50 CDAA CCC(=O)N[C@](C)(CO)Cn1cnc2ccccc21 1472346920 VFWVIIQEYBISKL-AWEZNQCLSA-N 261.325 1.314 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CCCO[C@@H]2C(C)C)n1C 408474886 WUZOCAZSRMMOML-WDEREUQCSA-N 266.345 1.513 0 50 CDAA O=C(CCN1CC[C@H](c2nc[nH]n2)C1)Nc1ccccc1 408524901 PDJOPKWAXMMEMR-LBPRGKRZSA-N 285.351 1.623 0 50 CDAA O=C(O)[C@H]1COCCN1C(=O)CCc1ccc(Cl)cc1 268968899 FJAMGXXJZZSYQV-GFCCVEGCSA-N 297.738 1.585 0 50 CDAA O=C1C[C@@]2(CCSC2)C(=O)N1CCN1CCCCC1 170614880 AGDHVOXCHWJFSU-CQSZACIVSA-N 282.409 1.355 0 50 CDAA CC(C)n1ccc(CNC(=O)CC2CCN(C)CC2)n1 643992253 FCPHNTWQLYLREC-UHFFFAOYSA-N 278.400 1.812 0 50 CDAA CC(C)OCC(=O)N1CCc2cccc(C(=O)O)c2C1 649258246 MIWPWGZXEHOEGW-UHFFFAOYSA-N 277.320 1.695 0 50 CDAA Cc1ncncc1[C@@H](C)NCCN1CCN(C)C(C)(C)C1 566923556 HKBHEDPKDGGEQQ-CYBMUJFWSA-N 291.443 1.462 0 50 CDAA COc1ccccc1CNC[C@@H](OC)[C@@H]1CCOC1 585093632 PZNCWJCCKHDIAI-UKRRQHHQSA-N 265.353 1.836 0 50 CDAA CN(CC(=O)NCCc1ccccn1)CC(C)(C)C 585121979 IJJYJMZRRKIHKZ-UHFFFAOYSA-N 263.385 1.718 0 50 CDAA CSC[C@H](C)C(=O)NCc1cc2n(n1)CCCC2 585130637 XCSZPPWHQXUGEQ-JTQLQIEISA-N 267.398 1.835 0 50 CDAA COc1cc(C(=O)NCc2ccon2)cc(Cl)c1O 785412945 DLSABTFEKAREHY-UHFFFAOYSA-N 282.683 1.972 0 50 CDAA O=C(NCCOCc1ccccc1)[C@H]1CC[C@@H](C(=O)O)C1 97732703 CLFDOQYUBBTEBO-UONOGXRCSA-N 291.347 1.820 0 50 CDAA O=C(N1CCC2(CCC2)CC1)[C@]12CNC[C@H]1CCOC2 1615552648 FZAWCNJEPKTWRW-CJNGLKHVSA-N 278.396 1.405 0 50 CDAA CCc1ccccc1-n1cc(C(=O)N(C)C2CN(C)C2)nn1 1615586200 KMLIGGJYSCILEH-UHFFFAOYSA-N 299.378 1.216 0 50 CDAA Cc1nnsc1[C@@H](C)ONC(=N)COC(C)C 1616183634 ASLKYBSAEYANRN-MRVPVSSYSA-N 258.347 1.831 0 50 CDAA O=Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1 40448746 PFAKZIZFIXKDFP-UHFFFAOYSA-N 283.740 1.994 0 50 CDAA in-vitro O=S(=O)(N[C@H]1CCN2CCCC[C@@H]12)c1ccccc1 216281692 CCJULNHRHTZKFT-KBPBESRZSA-N 280.393 1.592 0 50 CDAA Cc1noc(C)c1NC(=O)[C@H]1CCN(C)C(=O)C1 408008834 JCWPUMPGFPWSPE-VIFPVBQESA-N 251.286 1.098 0 50 CDAA O=C(NC(=S)N1CCOCC1)c1ccc(F)cc1 1252462 CDWQWPCILULKQO-UHFFFAOYSA-N 268.313 1.173 0 50 CDAA C[C@H](OCC1CC1)C(=O)N1CCCC[C@@H]1C(=O)O 136509809 SDQDTELBJFIMTJ-GXSJLCMTSA-N 255.314 1.267 0 50 CDAA O=C(OCc1ccccc1)N1CC(F)(C(=O)O)C1 253189382 YPEXDEBGFOOVNI-UHFFFAOYSA-N 253.229 1.432 0 50 CDAA Cc1ncsc1CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 682556430 JBNZVESHSFILGY-NHCYSSNCSA-N 265.382 1.537 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccnn3C)C[C@@H]21 1704358289 IFWYUXAUIRESOW-TYNCELHUSA-N 277.368 1.433 0 50 CDAA CN1CC[C@@H](N(C)C(=O)c2occ3c2CCC3)C1=O 585081830 JXNOWUMFLKNEMQ-LLVKDONJSA-N 262.309 1.071 0 50 CDAA CN(C)C(C)(C)CNC(=O)c1c(O)cccc1F 163727769 KECLIAJCWXLVOH-UHFFFAOYSA-N 254.305 1.601 0 50 CDAA COCCn1cncc1CNc1ncc(F)c(OC)n1 1772703091 VEAADUIUUBUKFB-UHFFFAOYSA-N 281.291 1.079 0 50 CDAA Cc1ncsc1CCN(C)C[C@H]1CCC(=O)N(C)C1 1772813853 WZCKMOQPCGYYJC-GFCCVEGCSA-N 281.425 1.794 0 50 CDAA OCCN(Cc1ncc[nH]1)Cc1ccnn1-c1ccccc1 1772703053 CBYFLBIJVTVRLN-UHFFFAOYSA-N 297.362 1.590 0 50 CDAA COCCOC(=O)c1sc2nc[nH]c(=O)c2c1C 13571277 NSHZOSOTHYCWCC-UHFFFAOYSA-N 268.294 1.096 0 50 CDAA CN(C[C@H](O)c1ccccc1)c1n[nH]c(=N)s1 1857673505 UOEDJHLSAIYAKR-VIFPVBQESA-N 250.327 1.120 0 50 CDAA Cc1ccc2ncnc(N3CCC(n4cnnc4)CC3)c2n1 1857670977 JQJAWHJHBCRGOZ-UHFFFAOYSA-N 295.350 1.766 0 50 CDAA COc1nccnc1N1C[C@@H]2C[C@H](C1)[C@@H]1CCCCN1C2 1857723460 HBHKNLQGWWBYSP-MCIONIFRSA-N 288.395 1.796 0 50 CDAA O=C(O)COCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 568290399 ILOIFNMGVDHQMU-CYBMUJFWSA-N 299.754 1.815 0 50 CDAA CCC[C@]1(CO)CCN(C(=O)c2cccc(O)c2)C[C@@H]1O 1875244743 SAMQTMDWZMXKNL-GOEBONIOSA-N 293.363 1.378 0 50 CDAA NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 156803 QYBPBEKJXBRSGI-AWEZNQCLSA-N 284.315 1.219 0 50 CDAA in-vitro C[C@@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccs1 237456442 YTNFGWMKPSSURM-ZJUUUORDSA-N 283.349 1.554 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)CC3(N)CCC3)C2)no1 237771718 OEZVRDJTDAOSLB-LBPRGKRZSA-N 292.383 1.431 0 50 CDAA COc1ccc([C@H](O)Cn2ccs/c2=N\C(C)=O)cc1 12562327 OXSPOTARYHSGRQ-FARYLTDUSA-N 292.360 1.739 0 50 CDAA Cc1n[nH]c(C)c1CN1C[C@H](C(=O)O)[C@@H](C2CC2)C1 248037528 RIIRFSCNUHASBF-OLZOCXBDSA-N 263.341 1.569 0 50 CDAA C[C@@H]1CC(=O)NCCN1Cc1nc(-c2ccccc2)no1 371184679 OXRKDAOVURPVOS-LLVKDONJSA-N 286.335 1.447 0 50 CDAA O=C(O)CCNC(=O)[C@H]1CCCCN1Cc1ccccc1 262214500 KIHOZSLWIRMAHD-CQSZACIVSA-N 290.363 1.632 0 50 CDAA O=C(O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 35295854 XSPPNZHMHCELLJ-UHFFFAOYSA-N 282.239 1.650 0 50 CDAA in-vitro COc1ccnc(NC(=O)CC(C)(C)CC(=O)O)c1 904217768 RWFYNOUIZPSKQU-UHFFFAOYSA-N 266.297 1.920 0 50 CDAA CCc1nc[nH]c1C(=O)NCCc1nc2ccccc2[nH]1 905395596 NDGVROVAEUBKAP-UHFFFAOYSA-N 283.335 1.821 0 50 CDAA Cc1ccc(F)c(CN2CC[C@H](C(=O)O)[C@H](O)C2)c1F 1704325789 RPSBMULTWCMNHZ-JOYOIKCWSA-N 285.290 1.541 0 50 CDAA O=C(Nc1cnn[nH]1)[C@@H]1C[C@]12CCOc1ccccc12 807922532 GBXYTKZTGWEADR-HZMBPMFUSA-N 270.292 1.484 0 50 CDAA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)[C@H]2CCOC2)cn1 829899820 AFRFWTZIVURZJC-FPMFFAJLSA-N 293.367 1.356 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H]1CCCC12CCOCC2 861543712 CYSMNHVLKCIYFH-LBPRGKRZSA-N 280.368 1.096 0 50 CDAA C[C@@H](O)C(C)(C)NCC(=O)Nc1ccc(F)cc1F 952878196 ZRLAMRQVOVAQLY-MRVPVSSYSA-N 272.295 1.652 0 50 CDAA Cc1cnn(C)c1-c1ccc2nc(CO)n(C)c2c1 1875283446 SJODNDPNFBUENS-UHFFFAOYSA-N 256.309 1.775 0 50 CDAA CCN(C)[C@H]1CCN(c2ccc3nnc(C4CC4)n3n2)C1 1875262419 MTJQYZVBYPLWPY-LBPRGKRZSA-N 286.383 1.532 0 50 CDAA CO[C@H]1C[C@@H]2C[C@@H](C(=O)N[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C(=O)O)C[C@@H]21 1875311415 YIKBGYREJRIYTB-CGSVVGKJSA-N 293.363 1.273 0 50 CDAA Cc1c(Cl)cccc1CN1CCO[C@@H](CC(N)=O)C1 877658391 QLWVXLVYDPQVML-LBPRGKRZSA-N 282.771 1.725 0 50 CDAA CC(=O)NC[C@@H]1CN(Cc2c(C)nsc2C)CCCO1 888103532 LBVUAMAZFVBCMM-CYBMUJFWSA-N 297.424 1.487 0 50 CDAA CCN(CC(=O)OC)C(=O)[C@H](F)[C@@H](C)C(F)(F)F 1775999910 YBLDCZXAEATISK-HTRCEHHLSA-N 273.226 1.544 0 50 CDAA C[C@H](CC(=O)Nc1n[nH]c(CO)n1)c1ccc(F)cc1 1775986373 UBTVURYVPPEJBM-MRVPVSSYSA-N 278.287 1.568 0 50 CDAA OC1CCN(Cc2cn([C@@H]3CCCCC[C@H]3O)nn2)CC1 899725649 UVMFVMYHKLEIMW-HUUCEWRRSA-N 294.399 1.101 0 50 CDAA COc1cc(C)ccc1OCC(=O)N(C)[C@H]1CCNC1 179098491 BDJUJKPLUJFZCP-LBPRGKRZSA-N 278.352 1.203 0 50 CDAA CCOc1ccc(C(=O)N[C@@H](CSC)C(=O)O)cc1 426613686 VYBOEIOYERGGCG-NSHDSACASA-N 283.349 1.631 0 50 CDAA Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccnn2C)n1 371411282 XAERBDPZKYOADF-AWEZNQCLSA-N 274.372 1.293 0 50 CDAA Cc1cc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)co1 888097086 ABHHZCRCLUZLKU-GFCCVEGCSA-N 281.308 1.445 0 50 CDAA c1cc2c(cc1-c1nc(N3CCOCC3)n[nH]1)OCO2 2100482859 DCYNHWQXSGJEJK-UHFFFAOYSA-N 274.280 1.037 0 50 CDAA Cn1cnc2nc(-c3ccc(S(C)(=O)=O)cc3)ncc21 2100557362 QSUWLQKLTHFZLC-UHFFFAOYSA-N 288.332 1.434 0 50 CDAA Cn1cc(C(=O)O)c(CN[C@@H]2CCOC23CCCCC3)n1 2325787022 WEQFGWKSFQVOLX-CYBMUJFWSA-N 293.367 1.700 0 50 CDAA FC(F)Oc1cc(CN=c2ncnc3[nH][nH]cc2-3)ccn1 340583421 MTROIVNEHDOGBM-UHFFFAOYSA-N 292.249 1.335 0 50 CDAA C[C@@H]1CN(c2ccccc2Br)NC1=O 192604 NITIMGXZPKTDMX-SSDOTTSWSA-N 255.115 1.936 0 50 CDAA CN(C)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 389078 YMPQIPORTHDIJK-UHFFFAOYSA-N 263.702 1.289 0 50 CDAA COc1cc(OC)cc(OC[C@@H](O)Cn2ccnc2)c1 810202 RCWLSWVWDFRZTJ-NSHDSACASA-N 278.308 1.340 0 50 CDAA O=S(=O)(O)c1ccccc1I 2381160 ZJTNYBYLBTVLRD-UHFFFAOYSA-N 284.074 1.538 0 50 CDAA in-vitro COC[C@@]12COC[C@@H]1CN(c1ccnc(C)c1OC)C2 2356166563 DBORJLZAVRHZFR-WFASDCNBSA-N 278.352 1.498 0 50 CDAA c1cc2nsnc2c2c1Nc1nc3nonc3nc1N2 2885738 CHBJBFFFLWWJDF-UHFFFAOYSA-N 284.264 1.818 0 50 CDAA COc1ccccc1NC(=O)C(=O)NCc1ccccc1 2900949 YAIFYDOWJIHANK-UHFFFAOYSA-N 284.315 1.950 0 50 CDAA COc1cc(C(C)=O)ccc1OC[C@@H](O)Cn1ccnc1 4320268 VVXPGRWUNWBHPU-ZDUSSCGKSA-N 290.319 1.534 0 50 CDAA CN(C)C(=O)c1ccccc1NC(=O)CCC(=O)O 6702534 IZUQTTRRNWTGNY-UHFFFAOYSA-N 264.281 1.192 0 50 CDAA COc1ccc(C)cc1N1C[C@@H](C(=O)NC(C)C)CC1=O 9341945 FRNQTLPAPSZLHM-LBPRGKRZSA-N 290.363 1.881 0 50 CDAA CCOC(=O)N1CCC(Nc2cnccn2)CC1 21786442 XTVYAJMJKOYGCA-UHFFFAOYSA-N 250.302 1.509 0 50 CDAA C[C@](O)(C(=O)Nc1cnc2n1CCCC2)C(F)(F)F 67673525 LBTXDBRWYDRUHE-JTQLQIEISA-N 277.246 1.471 0 50 CDAA Cc1csc([C@@H](C)NS(=O)(=O)Cc2ccno2)n1 1363947575 VDQIUHSNRGEJEP-MRVPVSSYSA-N 287.366 1.620 0 50 CDAA CN1CCCN(CCC(=O)NC2CCCCCC2)CC1 65397217 PCBYNQCNNJPQFJ-UHFFFAOYSA-N 281.444 1.853 0 50 CDAA COc1ccc(Cc2nc3c(c(=O)[nH]2)CCNCC3)cc1 65429902 MFMJRDJXXOTRSU-UHFFFAOYSA-N 285.347 1.058 0 50 CDAA c1[nH]nc2c1CN(CCOC[C@H]1CCCCO1)CC2 20536667 HEISXRPNRWRCBJ-CYBMUJFWSA-N 265.357 1.354 0 50 CDAA O=C(O)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2O)c1 237990884 MLMNPSJPFYTJMF-OLZOCXBDSA-N 277.320 1.666 0 50 CDAA COC(=O)CNC(=O)c1cc(C(C)C)nc2onc(C)c12 126495912 MYQCKUODCYOBTG-UHFFFAOYSA-N 291.307 1.557 0 50 CDAA CCn1cc(-c2nnc(SCC(=O)O)n2C2CC2)cn1 67605579 YRCKHESQGNHEKM-UHFFFAOYSA-N 293.352 1.673 0 50 CDAA Cc1nnc(-c2cnn(C)c2N)n1Cc1cccs1 1390281 VXXIPPNYCQXBFO-UHFFFAOYSA-N 274.353 1.679 0 50 CDAA c1cc(-c2nccn2-c2ccc(-n3cnnn3)cc2)ccn1 71777121 ICFUZEBPTZVDDN-UHFFFAOYSA-N 289.302 1.910 0 50 CDAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H]1Cn1ccnn1 329329003 XZZBVPKFWFNXOZ-XDQVBPFNSA-N 272.352 1.481 0 50 CDAA Nc1nc(CC2CC2)c2ncn([C@@H]3C=C[C@@H](CO)C3)c2n1 217042511 XGLQFBQYFSTMBI-GHMZBOCLSA-N 285.351 1.471 0 50 CDAA c1cn2c(CN(C[C@H]3CCCN3)C3CC3)cnc2cn1 328622345 BEABPXFZWDTYDE-GFCCVEGCSA-N 271.368 1.446 0 50 CDAA CN(C(=O)N1CCC[C@H](Cn2ccnn2)C1)C1CCCC1 253398182 PGQFWRYZHVVMHE-ZDUSSCGKSA-N 291.399 1.985 0 50 CDAA CN1CCO[C@@H](CN(Cc2csnn2)CC2CC2)C1 328655965 YWEKREPFCMPPSH-CYBMUJFWSA-N 282.413 1.081 0 50 CDAA C[C@H]1CN(C2CCN(C(=O)c3ccc[nH]3)CC2)CCO1 124270606 BGUQEYBKYIGFQA-LBPRGKRZSA-N 277.368 1.340 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CCc2cccnc2)n[nH]1 216276647 JVNODSYKPIKLMQ-SECBINFHSA-N 259.313 1.318 0 50 CDAA COCCCN1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 71776510 IWBLKMDLIIDDEQ-OAHLLOKOSA-N 282.428 1.992 0 50 CDAA CCn1cnc2c(N3CC[C@](O)(C4CC4)C3)ncnc21 365341190 CNDMQAILCSFPRA-CQSZACIVSA-N 273.340 1.197 0 50 CDAA Cc1cc(C(=O)N[C@H]2CC(=O)Nc3ccccc32)nc(N)n1 216501796 QFUTUMUPZCXOCH-NSHDSACASA-N 297.318 1.181 0 50 CDAA CN1CCN(C(=O)/C=C/c2ccc[nH]2)C[C@@H]1c1nccn1C 366659991 IVVRORXFLJSLOV-VBROQKIQSA-N 299.378 1.277 0 50 CDAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CNCCO1 71419295 XTIFASPNOJUFJG-AWEZNQCLSA-N 291.326 1.254 0 50 CDAA C[C@H](NC(=O)C[C@@H](C)N)c1cn(-c2ccccc2)nn1 261903224 ZJXAMJMFOUWUSZ-MNOVXSKESA-N 273.340 1.182 0 50 CDAA CO[C@H]1CN(C(=O)c2cc3cccc(C)c3o2)CC[C@H]1N 71479618 DWQJYTNRDBIEPN-OCCSQVGLSA-N 288.347 1.929 0 50 CDAA CC(C)n1ccc(CN2CCS(=O)(=O)C[C@@H]2C2CC2)n1 333145817 ZUZZCCOZQIEUCF-CQSZACIVSA-N 297.424 1.473 0 50 CDAA C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)CNC2CC2)C1 237516650 WMBXMTMCVVIIKV-GJZGRUSLSA-N 293.455 1.851 0 50 CDAA COc1csc(C(=O)N2C[C@H](C)N[C@H](C)C2)c1 128863123 WFQIWBUFIWVTPV-DTORHVGOSA-N 254.355 1.579 0 50 CDAA OCCOc1cncc(N2CC[C@H](c3ccco3)C2)n1 376969966 YMRWXTKQZHGCRR-NSHDSACASA-N 275.308 1.435 0 50 CDAA C[C@@H](Oc1ccc(O[C@H](C)C(=O)O)cc1)C(=O)O 71777865 SSGKBOVUWGMTBK-HTQZYQBOSA-N 254.238 1.390 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](N)CC3)c2c1 72173994 QJGWPECDLASXFK-NSHDSACASA-N 272.352 1.825 0 50 CDAA Cc1ccc(COC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 222459620 NAFHMESIBRXAPD-YQQAZPJKSA-N 293.407 1.982 0 50 CDAA Cc1ncn(C)c1C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 426667301 CLZILNPRRKKZAF-ZDUSSCGKSA-N 299.330 1.380 0 50 CDAA C[C@H](NC(=O)Cn1ccnn1)c1nc2c(s1)CCCC2 426589842 WTGUCSUODAXYLC-VIFPVBQESA-N 291.380 1.491 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2cc(C)no2)C1 284633209 ODHYWZPSMUTQKO-KOLCDFICSA-N 263.301 1.063 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc2ccccc2nc1O 284677232 PAAKATMBCAIRGK-YPMHNXCESA-N 289.310 1.338 0 50 CDAA Cc1cc(C(=O)NCCC[C@H]2CCOC2)c(=O)n(C)c1C 426535219 RVFQXUNOUUILAC-ZDUSSCGKSA-N 292.379 1.549 0 50 CDAA COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 45952755 FWRZGFLENCMIKP-SSDOTTSWSA-N 255.220 1.491 0 50 CDAA Cc1c(C(=O)N2CCC[C@@]3(CC2)CNC(=O)O3)ccn1C 426581050 WHOWOSDDDJLTLP-OAHLLOKOSA-N 291.351 1.438 0 50 CDAA Cc1cc(NC(=O)N2CCNC(=O)[C@H]2CC(C)C)nn1C 225470074 WFYGPPJPEPZVAI-LLVKDONJSA-N 293.371 1.107 0 50 CDAA Cc1nc(C)c(S(=O)(=O)NC[C@@H]2CCCNC2)s1 237610525 RWHVYQZBXUEJSK-SNVBAGLBSA-N 289.426 1.038 0 50 CDAA COCCC[C@@H]1CCCCN1C(=O)Cn1cc(C)cn1 91469003 JONPFCXZCUPLLJ-AWEZNQCLSA-N 279.384 1.999 0 50 CDAA O=C1CCCCCN1CCc1nc([C@H]2CCOC2)no1 96153229 JMHIHHRBQUWBOW-NSHDSACASA-N 279.340 1.519 0 50 CDAA COCCc1nc(-c2cn(Cc3ccccc3)nn2)no1 289873961 WHSMOZUMTGQTPP-UHFFFAOYSA-N 285.307 1.565 0 50 CDAA CN(CC(=O)O)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 237150173 OOZAFDRROAOZCK-VHSXEESVSA-N 269.247 1.611 0 50 CDAA CC1CCN(C(=O)CCN2C[C@H](C3CC3)[C@@H](N)C2)CC1 91665334 YLNRYWIXIACDRB-CABCVRRESA-N 279.428 1.304 0 50 CDAA NC[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 178576294 SWEYIZQHKBFPHY-OAHLLOKOSA-N 287.407 1.703 0 50 CDAA CO[C@H]1C[C@@H](O)C12CCN(c1nc(CO)cs1)CC2 91780903 WUFZGWTWERQQIT-MNOVXSKESA-N 284.381 1.002 0 50 CDAA Cc1cccnc1N1CCN(C(=O)c2cn(C)nc2C)CC1 92019816 XGFDUYMFXGTESX-UHFFFAOYSA-N 299.378 1.394 0 50 CDAA CCc1ccccc1NC(=O)NCCc1n[nH]c(=O)[nH]1 96163005 QSWDHZUBTXEQET-UHFFFAOYSA-N 275.312 1.025 0 50 CDAA CN(CC(=O)NCCC(F)(F)F)Cc1ccncc1 244724089 MNIISTSPDMNGFK-UHFFFAOYSA-N 275.274 1.582 0 50 CDAA CCc1nc(CN2CC(N3CCCC[C@H]3C)C2)n[nH]1 244778770 PWJLCPWBPNBUEJ-LLVKDONJSA-N 263.389 1.426 0 50 CDAA C[C@@H]1COC2(CCC2)CN1C(=O)c1nc[nH]c2nccc1-2 617953478 POVJKAXOAFCNSQ-SNVBAGLBSA-N 286.335 1.693 0 50 CDAA O=S(=O)(Nc1cnoc1)c1ccc2c(c1)CCO2 623946461 IHUXGZCCMVHSMS-UHFFFAOYSA-N 266.278 1.410 0 50 CDAA O=C(C[C@@H]1CCCOC1)NCC1(CN2CCOCC2)CC1 534676828 JJQAXYCNVWNJEO-AWEZNQCLSA-N 296.411 1.032 0 50 CDAA CCN=c1[nH]c(C)c(C(=O)N[C@H](C)c2ncc(C)[nH]2)s1 534658780 KNJHQLPALYWYKN-SECBINFHSA-N 293.396 1.828 0 50 CDAA NC(=O)[C@H](O)C1CCN(CCc2ccc(F)c(F)c2)CC1 299753094 WUXMWLNYTNBMTL-CQSZACIVSA-N 298.333 1.066 0 50 CDAA COc1ccc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)O 299752561 UOYCQNVNLOUXRH-NSHDSACASA-N 293.319 1.436 0 50 CDAA Cc1nccn1CCNC(=O)c1ccncc1Cl 266668699 IZPYQKRMBOUOHN-UHFFFAOYSA-N 264.716 1.670 0 50 CDAA CC1(C)SC[C@H](C(=O)NCC2C(C)(C)C2(C)C)NC1=O 534660605 ZVTYDLTZRQRYAP-SECBINFHSA-N 298.452 1.795 0 50 CDAA COCC(C)(C)NC(=O)c1cc(CC(C)C)nc(O)n1 534631029 YKDRCBDUYIWRFG-UHFFFAOYSA-N 281.356 1.536 0 50 CDAA NC(=O)c1ccc(=NC[C@@H]2CCN(C3CCCC3)C2)[nH]c1 534670886 VRTLWEJPRGFRES-LBPRGKRZSA-N 288.395 1.279 0 50 CDAA Cn1cc(CCC(=O)NCc2ccc3nc[nH]c3c2)cn1 615790322 PCKXEIAJBPLSRM-UHFFFAOYSA-N 283.335 1.545 0 50 CDAA COc1cc(F)ccc1CN1CCN(CCC(=O)O)CC1 534634136 QVMXPSSXEZSNMQ-UHFFFAOYSA-N 296.342 1.427 0 50 CDAA Cc1cc(C)n2[nH]c(=NC(=O)c3oc(C)nc3C)cc2n1 1940196924 FJTGYTWRJMYWIA-UHFFFAOYSA-N 285.307 1.625 0 50 CDAA O=C(O)CNC(=O)NC[C@H]1CCCN(C2CCCC2)C1 828018568 VSVCMCNSJVTXCU-LLVKDONJSA-N 283.372 1.025 0 50 CDAA CCCN1CCC[C@H](NC(=O)Cc2sc(N)nc2C)C1 822922775 UBZWZEPSMLZGAQ-NSHDSACASA-N 296.440 1.567 0 50 CDAA O=C(NCc1nncn1CCc1ccccc1)c1ccon1 828228802 UQWYAEZDDCDGFP-UHFFFAOYSA-N 297.318 1.439 0 50 CDAA CN1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO 828747273 QEURVGYMJXYKSJ-GFCCVEGCSA-N 292.408 1.190 0 50 CDAA Cc1nc(C2CCN([C@H](C)Cn3cccn3)CC2)n[nH]1 821746053 PFYOPNZNUXNGKS-LLVKDONJSA-N 274.372 1.578 0 50 CDAA COCC1(C(=O)NC[C@H]2CCCCN2C)CCC1 584886227 BRDHJNIILIVASE-GFCCVEGCSA-N 254.374 1.404 0 50 CDAA CNC(=O)C[C@@H]1CCN(Cc2ccc(F)cc2OC)C1 670449544 VLADMRYTRTZRRS-NSHDSACASA-N 280.343 1.792 0 50 CDAA CC(C)OCC1CCN(C(=O)CCN2CCCC2=O)CC1 670460973 AVWAVPOXCCOTKL-UHFFFAOYSA-N 296.411 1.663 0 50 CDAA O=C1OC[C@@H]2CN(CCOCc3ccccc3)CCN12 670469130 VBHPFFJTCLBMEE-AWEZNQCLSA-N 276.336 1.340 0 50 CDAA Cc1cccc(OC2CN([C@H]3CCNC(=O)CC3)C2)c1 670457669 IBDSIDYDWLXVMT-CYBMUJFWSA-N 274.364 1.727 0 50 CDAA OC[C@H]1CCCN(CCCNCc2cnccc2Cl)C1 952868540 BQBJBSDVUAFBNU-ZDUSSCGKSA-N 297.830 1.919 0 50 CDAA CCCc1cc(N2Cc3cnn(CCO)c3C2)nc(C)n1 67714438 IHIAKBPFYWLGKI-UHFFFAOYSA-N 287.367 1.447 0 50 CDAA NCC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 269044631 CLIXJEYDGZJHJF-AWEZNQCLSA-N 282.771 1.571 0 50 CDAA C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CCNC2)C1 269273841 YYRYXWQJDRQPFZ-OLZOCXBDSA-N 273.380 1.715 0 50 CDAA Fc1cccc2[nH]c(CN3CCO[C@]4(CCOC4)C3)nc12 185214967 MLODVWUYSKYUGV-OAHLLOKOSA-N 291.326 1.693 0 50 CDAA CC(C)(CO)NC(=O)c1cccc([C@@H]2CCOC2)c1 272316609 JBXDUJZGFJUOJN-CYBMUJFWSA-N 263.337 1.691 0 50 CDAA Nc1cc(=O)[nH]c(SCCOc2ccccc2F)n1 16527046 JZIJETGSILJNOX-UHFFFAOYSA-N 281.312 1.662 0 50 CDAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2C[C@H]2C2CC2)cn1 548014780 SSMBJOSUSTZXRJ-ZQDZILKHSA-N 289.379 1.895 0 50 CDAA CC(C)[C@@H]1CN(c2nnc(CC(F)(F)F)n2C)CCO1 516063397 PMUKWDGZNJOQPF-VIFPVBQESA-N 292.305 1.781 0 50 CDAA CC[C@@]1(C)CN(C(=O)NCc2noc(C)n2)CCO1 170604091 ROACSPGUQAPKHJ-LBPRGKRZSA-N 268.317 1.089 0 50 CDAA CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1OCCO1 170620365 ZGPAVBJCASCMDF-WDEREUQCSA-N 257.330 1.165 0 50 CDAA COc1cc(Cl)ccc1CNC(=O)c1cc(=O)n(C)o1 170614619 DVOURJJJHGIHEA-UHFFFAOYSA-N 296.710 1.570 0 50 CDAA O=C([C@H]1CCN1C1CCCC1)N1CC(OC(F)F)C1 635829602 IIMDVLKUPGHLIC-LLVKDONJSA-N 274.311 1.453 0 50 CDAA Cc1cc(F)c(C(=O)N2CCN[C@H](C)C2)cc1F 188413287 ZEGALCCAEFVQPI-SECBINFHSA-N 254.280 1.707 0 50 CDAA Cn1c(CN[C@H]2CCCN(CCO)C2)cc2ccccc21 638530312 RFMPLISPSFHNFW-HNNXBMFYSA-N 287.407 1.725 0 50 CDAA CC[C@@H]1CN(C(=O)N=c2cc3ccccn3[nH]2)CCCO1 554526531 ICWHGKLQVPKGLU-CYBMUJFWSA-N 288.351 1.789 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)O)C1 585139405 VRLGNHPBGOFMQT-UFBFGSQYSA-N 259.302 1.533 0 50 CDAA C[C@H]1CN(Cc2ccon2)C[C@@H](C)N1Cc1ccon1 191149262 XHHUEIQJYAICOV-TXEJJXNPSA-N 276.340 1.757 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1ccoc1C 643765842 IYBBPAFQQZZFDP-CQSZACIVSA-N 266.341 1.315 0 50 CDAA COC[C@@](C)(NCc1nc(N(C)C)no1)c1ccccc1 192785208 SBXRPBZQRFDEOL-OAHLLOKOSA-N 290.367 1.787 0 50 CDAA COCC1(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)CC1 650388660 YNQDLVVCVOTZBZ-UHFFFAOYSA-N 299.348 1.234 0 50 CDAA CNC[C@H]1CCN(C(=O)c2c(F)cc(F)cc2F)C1 86997974 XVTUELJZXWQLCJ-MRVPVSSYSA-N 272.270 1.785 0 50 CDAA CCOC(=O)CCCN1CCC[C@H](NCC(F)(F)F)C1 1615587557 HEXNYTNQVHBZNV-NSHDSACASA-N 296.333 1.946 0 50 CDAA COC(=O)N1CC[C@H](C(F)(F)F)C[C@@H]1C(=O)O 1616039497 PAGNRQTXALWEJU-NTSWFWBYSA-N 255.192 1.480 0 50 CDAA O[C@H]1CN(Cc2ccoc2)C[C@@H]1Cc1cnccn1 1616084539 ZQXIRUHCVDEQRT-JSGCOSHPSA-N 259.309 1.105 0 50 CDAA CNC(=O)c1ccc(CNC[C@@H]2CCCN2C)cc1 221143697 DFCMBUVXCDOFCQ-AWEZNQCLSA-N 261.369 1.230 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)CNCC[C@@H]12 211174800 NXSFCOFBYPGVMY-RNCFNFMXSA-N 270.329 1.060 0 50 CDAA in-vitro Cc1nc(C)c(C(=O)N(CCO)C2CCC2)s1 222090812 OPHWZWSKYJSKGU-UHFFFAOYSA-N 254.355 1.747 0 50 CDAA CC[C@@H](Oc1ccccc1)C(=O)NCCCOC 2821332 UCENVYODPIGKBJ-CYBMUJFWSA-N 251.326 1.997 0 50 CDAA CC[C@@H](NC(=O)c1coc(C2CCCC2)n1)C(=O)O 570288408 BBDRGAKWAPKNPE-SECBINFHSA-N 266.297 1.925 0 50 CDAA O=C(N1CC[C@@]2(CCCOC2)C1)C1(O)CCCC1 377139074 HMBXXRSOMSAKKA-ZDUSSCGKSA-N 253.342 1.321 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 5017918 JTGVFHJDSDWBNF-QHSOUUPTSA-N 299.282 1.218 0 50 CDAA C[C@@]1(NC(=O)Nc2cccc(O)c2)CCS(=O)(=O)C1 5034421 UYPCEAYUYITHNX-GFCCVEGCSA-N 284.337 1.091 0 50 CDAA CCCCN(C(=O)c1cccnc1)[C@@H](C)C(=O)O 5503528 CMDSFBLINDJNGF-JTQLQIEISA-N 250.298 1.797 0 50 CDAA Cc1ncc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)cn1 12298083 VZHNZUYPMHLNKF-CQSZACIVSA-N 298.394 1.808 0 50 CDAA CCOC(=O)c1nc(N)nc(Nc2ccccc2)n1 16977071 HUVIMFBFGBLGRY-UHFFFAOYSA-N 259.269 1.374 0 50 CDAA S=C(NCCN1CCOCC1)c1ccc(Cl)cc1 19841772 FBWKSAVINSNMJN-UHFFFAOYSA-N 284.812 1.937 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)[C@H]2[C@@H]3CC[C@H]2CN3)c1 1857703046 GFJWRLLSTDSFMJ-AEGPPILISA-N 273.380 1.655 0 50 CDAA N=c1cc[nH]cc1-c1ccc([C@H]2CNC(=O)C2)cc1 1875243172 UKCZPBMXEPFEPG-GFCCVEGCSA-N 253.305 1.765 0 50 CDAA COc1cc(F)ccc1CN1C[C@H]2COC[C@@H]1CN(C)C2 1875249534 ZQRJQSSBWUKDLJ-WFASDCNBSA-N 294.370 1.597 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccccc2F)C1 237942224 GBYRNDBEYGRGGH-BPLDGKMQSA-N 292.354 1.853 0 50 CDAA O=C1NCC[C@@H]1N[C@H](C[C@@H]1CCOC1)c1ccccc1 248800079 ZZTWAMPBWNLWEN-AEGPPILISA-N 274.364 1.632 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(N(C)C)nc1 353216423 GJRHTYRJWBTLHI-STQMWFEESA-N 293.367 1.071 0 50 CDAA C[C@H](O)C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1 252509222 YGLUIRSEOGORPE-VIFPVBQESA-N 289.360 1.937 0 50 CDAA Cc1cnc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cn1 253600924 DCFLPOSUKPVCIA-OLZOCXBDSA-N 261.325 1.328 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)OCc2ccccc2)N1 21302818 ZYBMAAOZXXKYTG-NSHDSACASA-N 264.281 1.377 0 50 CDAA in-vitro C[C@H](CS(C)(=O)=O)C(=O)Nc1ccc2c(c1)ncn2C 267049443 XBALTIIHIGFBHA-SECBINFHSA-N 295.364 1.193 0 50 CDAA C[C@H]1OCC[C@@H]1C(=O)Nc1nc(-c2cnn(C)c2)ns1 900798573 RJFXEESCTJOHJX-APPZFPTMSA-N 293.352 1.302 0 50 CDAA O=C(N[C@H](C(=O)O)C1CC1)c1cnc2ccc(F)cc2c1 909041179 DJMGATCVVCZUJC-ZDUSSCGKSA-N 288.278 1.967 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)N(C)CC(C)C 912273198 BKUSNUVUUJQJIW-INIZCTEOSA-N 276.380 1.910 0 50 CDAA COc1ccc(C=O)cc1C(=O)N1CCn2cccc2C1 928957210 LPGFKGLBMXZHRM-UHFFFAOYSA-N 284.315 1.965 0 50 CDAA Cn1ccc(NC(=O)NCC[C@@H]2C[C@H]2C2CC2)cc1=O 931640229 VPFDHJRSYVWVQL-YPMHNXCESA-N 275.352 1.943 0 50 CDAA c1ccc(-n2ncc(Cn3cc(C4CC4)nn3)n2)cc1 853737098 AVDDQSKZLHQINC-UHFFFAOYSA-N 266.308 1.785 0 50 CDAA O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC12COC2 854837794 SDFKKBMZTZDYQL-UHFFFAOYSA-N 288.282 1.021 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C1CCC1)C1CC1 861942120 KUBBWQDXHPDFEE-CQSZACIVSA-N 250.342 1.326 0 50 CDAA CCCS(=O)(=O)N1CCN(Cc2ccc(C)cc2)CC1 19525183 LGVDZYSEUWMNTD-UHFFFAOYSA-N 296.436 1.852 0 50 CDAA O[C@H](CNc1ccc(C(F)(F)F)cn1)c1cnc[nH]1 952881488 ICQGXWCSIAXCPU-SECBINFHSA-N 272.230 1.969 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1CCN1Cc1ccccc1 1875273253 JVHGLUZOLFTATF-GPAKFWEMSA-N 288.347 1.106 0 50 CDAA CCN(CC)[C@H]1CCN(c2ncccc2C(=O)N(C)C)C1 1875260819 VSDGOWOBGWGNMM-ZDUSSCGKSA-N 290.411 1.704 0 50 CDAA CN(C)c1ccc(CCC(=O)N2C[C@H]3CC[C@H]3C2)cn1 1875322302 OSHJEZKPNPSOBI-OKILXGFUSA-N 273.380 1.949 0 50 CDAA O=C(NCCc1nc(O)n[nH]1)c1cccc2ccncc12 1875332861 OISZWPBZIITVBX-UHFFFAOYSA-N 283.291 1.031 0 50 CDAA Cc1c(C2CCOCC2)noc1NC(=O)[C@@H]1CCCO1 1875323111 XKOXOXVMGSRMHF-NSHDSACASA-N 280.324 1.995 0 50 CDAA O=C(Nc1ccccn1)N1CCC[C@@H]1c1nc[nH]n1 1875369198 ZKEUZTSMBGQHIH-SECBINFHSA-N 258.285 1.569 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)n(C)n1 888077007 CIYSLWNLXTUGQY-LLVKDONJSA-N 286.339 1.078 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(c2nnc(C)o2)C1 888102934 VZRWWBSNQWKNGN-MNOVXSKESA-N 277.328 1.684 0 50 CDAA C[C@@H](N)[C@@H]1CN(C(=O)c2coc3ccccc23)CCO1 127892222 VKYPVMHZMBIJJK-YGRLFVJLSA-N 274.320 1.621 0 50 CDAA O=C(CCn1ccccc1=O)N1CC[C@H]2CC[C@@H](O)[C@H]1C2 1775987995 VDUPATNXLCHKKW-MGPQQGTHSA-N 290.363 1.000 0 50 CDAA O=C(Cc1cccc(O)c1)N1CC[C@]2(CCNC2)C1 155594565 POAIAJQUHYNXEP-HNNXBMFYSA-N 260.337 1.147 0 50 CDAA CN(C(=O)[C@H]1CCC(O)=N1)C1C[C@@H]2CC[C@H](C1)N2C 329219742 SRVLXWBRPCFOHF-AYLPWXGPSA-N 265.357 1.189 0 50 CDAA CC(C)N(C)C[C@H](O)CN[C@@H](C)[C@H]1CCCOC1 388931232 QNBXZNXFHBQBFT-MELADBBJSA-N 258.406 1.092 0 50 CDAA C[C@H]1CN(C(=O)c2csc(Cl)n2)C[C@H](C)N1 864096082 ZRSVOPLSFDJULF-BQBZGAKWSA-N 259.762 1.619 0 50 CDAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cccc(F)c1F 1074578400 RCSDWJVQHOLBJP-WHGOUJPWSA-N 253.248 1.872 0 50 CDAA CS(=O)(=O)[C@H]1CCCN(Cc2cnccc2Cl)C1 1137237925 LAHMGLGPBGODSI-NSHDSACASA-N 288.800 1.744 0 50 CDAA C[C@H]1[C@@H](C)OCCN1C(=O)N=c1ccn(C(F)F)[nH]1 2325769496 KAWLUNFGCINBEM-JGVFFNPUSA-N 274.271 1.341 0 50 CDAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1c[nH]nc1-c1ccoc1 2325800244 ZYJVSBUTAALPKG-CMPLNLGQSA-N 288.351 1.773 0 50 CDAA CC1CCC(O)(CNC2=NC[C@H]3CC[C@H](C)CN23)CC1 2325864573 SRQLPSMKZZSNCY-IOSBVQAASA-N 279.428 1.987 0 50 CDAA O[C@@]1(c2ccc(Cl)cc2)CSC2=NCCN21 210944 IJUFXEJBZWRNOC-LLVKDONJSA-N 254.742 1.904 0 50 CDAA O=C(NCc1ccccn1)[C@H]1COc2ccccc2O1 268857 YOVSOFKGKFNGOL-CQSZACIVSA-N 270.288 1.538 0 50 CDAA Cc1ncc(C[n+]2csc3ccccc32)c(N)n1 313232 QYMKOMDTMVTGSO-UHFFFAOYSA-N 257.342 1.918 0 50 CDAA CC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 588355 SMCOKBAFFVGWLZ-UHFFFAOYSA-N 289.379 1.950 0 50 CDAA Ic1ccc2c(c1)N1CCN2CC1 1511677 OJBVOZMWHNCUHG-UHFFFAOYSA-N 286.116 1.931 0 50 CDAA COc1ccnc(CN(C)Cc2ccn3ncnc3c2)c1 2356149952 ZHQBDTRCXALVLY-UHFFFAOYSA-N 283.335 1.765 0 50 CDAA COC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 4237593 SZQDHZWFEQXSMQ-LLVKDONJSA-N 293.344 1.577 0 50 CDAA C[C@@H](C(=O)N(C)C)N(C)Cc1ccc(-c2cc[nH]n2)o1 67514720 GDGDVVRDSMWHAE-JTQLQIEISA-N 276.340 1.578 0 50 CDAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCNC2)C1(C)C 246853319 UASFHPXVZIJZAP-YNEHKIRRSA-N 268.401 1.648 0 50 CDAA CCn1cc([C@@H]2CC(=O)Nc3c2nc2n3CCCC2)cn1 67459678 QUGPDGBMRZWWPW-NSHDSACASA-N 285.351 1.910 0 50 CDAA C[C@@H]1[C@H]2CCCN2CCN1C(=O)c1ccc2c(c1)nnn2C 20540862 HNLONUROJMOWNB-BXUZGUMPSA-N 299.378 1.277 0 50 CDAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCNCC1 34781224 OZYYUZYHDXJSPP-UHFFFAOYSA-N 295.191 1.587 0 50 CDAA O=C(NCCc1noc(C2CCCC2)n1)c1cnccn1 215904153 JZCZMEDNBCPARL-UHFFFAOYSA-N 287.323 1.490 0 50 CDAA NC(=O)[C@H]1CCN(C(=O)/C=C/c2nc3ccccc3o2)C1 253417051 IGDHJCMARQWKIP-PORFMDCZSA-N 285.303 1.175 0 50 CDAA NC(=O)NC(=O)CCN1CCC[C@H]1/C=C/c1ccccc1 253425912 ULNHNVOVNWBCEQ-VFNNOXKTSA-N 287.363 1.749 0 50 CDAA Cc1ccc(OCCN2CCNCC2)c(Cl)c1 20272359 TYKGULJCVLCVEP-UHFFFAOYSA-N 254.761 1.932 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C 35993536 FBACONQWDFOSGR-UHFFFAOYSA-N 298.408 1.330 0 50 CDAA Cn1cc([C@H](O)CNC2CCC3(CCCO3)CC2)cn1 364963175 MRFJLCDFIKNWHZ-SHARSMKWSA-N 279.384 1.535 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 122617102 QSTPJHDAIZMCGQ-LLVKDONJSA-N 262.309 1.239 0 50 CDAA COC(=O)C1(NC(=O)c2ncccc2O)CCCCCC1 122721300 TWNJEARQIJXCFV-UHFFFAOYSA-N 292.335 1.783 0 50 CDAA COC(=O)[C@]1(C)CN(C(=O)N[C@H]2C[C@@H]2C)C[C@H]1C 374412878 AUGUNBASYGJSQN-MPXOCVNLSA-N 254.330 1.235 0 50 CDAA O=C(c1ccc(Cl)cn1)N1C[C@@H](F)C[C@H]1CO 334623085 FPUWYLLHVGXPSF-IUCAKERBSA-N 258.680 1.280 0 50 CDAA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc[nH]c(=O)c1 123955280 BYVUIYZBWAXNQN-ZDUSSCGKSA-N 290.363 1.987 0 50 CDAA Cc1nccn1CCN(C)[C@H]1CCOC2(CCOCC2)C1 77487795 NXTPLLVAQSMEJI-HNNXBMFYSA-N 293.411 1.852 0 50 CDAA O=C(O)c1nc2ccc(Cl)nn2c1Br 212723243 HNGUMMBTNAQKNS-UHFFFAOYSA-N 276.477 1.843 0 50 CDAA CC(=O)NC1(C(=O)N2CC(OC(F)F)C2)CCCCC1 437590580 NPDJOHGEGIOGJQ-UHFFFAOYSA-N 290.310 1.275 0 50 CDAA C[C@](CO)(NC[C@@H]1CCOC1)c1cccc(O)c1 330870232 ZIHJETXUHFZPCA-SMDDNHRTSA-N 251.326 1.226 0 50 CDAA Cc1nccc(NC(=O)N2CC[C@@H](O)CC(C)(C)C2)n1 332278923 HSXSAVQYMKQKAM-LLVKDONJSA-N 278.356 1.800 0 50 CDAA COC[C@@H]1CCCN1C(=O)c1cnn(C(C)C)c1 77390603 LTCTWLDLJJIQFO-LBPRGKRZSA-N 251.330 1.715 0 50 CDAA C[C@]1(C(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)C[C@H]1F 333347514 ZOYMDVHWXASLEH-MFKMUULPSA-N 277.255 1.978 0 50 CDAA C[C@H]1CCCCN1C1CN(C(=O)CCc2cnn(C)c2)C1 82092247 LQEKMFMWOGEOBP-ZDUSSCGKSA-N 290.411 1.438 0 50 CDAA C[C@@H](C(=O)NCCCNc1cccnc1)n1ccnc1 222996008 GPSHXVVWZICRIO-LBPRGKRZSA-N 273.340 1.458 0 50 CDAA C[C@H](CNC(=O)c1c[nH]nn1)Oc1cccc(Cl)c1 172874917 XXIYDWBLVGDRFC-MRVPVSSYSA-N 280.715 1.655 0 50 CDAA O=C(NCCNC1CCCCCC1)[C@H]1CCCCN1 131945264 FUWYPGTYJRLVOM-CQSZACIVSA-N 267.417 1.557 0 50 CDAA Cn1c(Sc2ccncc2F)nnc1C1CCNCC1 426635197 AQMDBCYVIXVKFT-UHFFFAOYSA-N 293.371 1.967 0 50 CDAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccc(F)cn1 284481664 FPPAUQKEYLDARC-IPYPFGDCSA-N 280.343 1.977 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1c1ccnc2c1cnn2C 284518922 JUTLTUPVQLNPLC-QWRGUYRKSA-N 276.340 1.208 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(C)n(C)c1=O)C2 426641517 LDLCSQNVZJBAKG-IMRBUKKESA-N 290.363 1.191 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1c1ccc(S(C)(=O)=O)cc1 284665985 YIOYKWWLSFBBDG-STQMWFEESA-N 299.392 1.330 0 50 CDAA CC1=CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 339659368 PKBTZZJUSSKQFA-CYBMUJFWSA-N 291.347 1.807 0 50 CDAA CC(C)(N)CN1CC[C@H](Cc2cccc(C(=O)O)c2)C1 91411665 MKLFGAMXUZCXDK-CYBMUJFWSA-N 276.380 1.987 0 50 CDAA CCNc1ncc(CN2CCC[C@@](CC)(CO)C2)cn1 91412204 KALOIUUUJUMZKS-OAHLLOKOSA-N 278.400 1.893 0 50 CDAA CCN(C)C[C@@H]1CN(C(=O)c2csc(C)c2)C[C@@H]1CO 92020217 MGUCIIXTFQVHQA-ZIAGYGMSSA-N 296.436 1.689 0 50 CDAA CCn1cc(Cl)c(C(=O)N[C@@H]2CCCNC2)n1 97797537 XQGRVWRLRZQAMX-MRVPVSSYSA-N 256.737 1.038 0 50 CDAA COCCN(C[C@H]1CC=CCC1)C(=O)[C@@H]1CCC(=O)N1 331128737 RNVVYHFMSANCIW-STQMWFEESA-N 280.368 1.096 0 50 CDAA O[C@H]1CN(Cc2nccs2)C[C@@H]1N1CCCCC1 97698640 XXSPOBAJJBYWPL-RYUDHWBXSA-N 267.398 1.174 0 50 CDAA Cc1ncnc(N[C@H]2CCCN(c3cnccn3)C2)c1C 95390820 HILNUEIYABPBJT-ZDUSSCGKSA-N 284.367 1.964 0 50 CDAA CC(=O)NCc1cnc2cc(C)nn2c1[C@H]1CCCN1 242687742 UUAFRIIMJPHDJB-GFCCVEGCSA-N 273.340 1.098 0 50 CDAA C[C@@H]1COCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN(C)C1 624048510 NMKPLCHOVHEICF-QLFBSQMISA-N 297.443 1.690 0 50 CDAA O=C1COc2c(cccc2C(=O)N=c2cc[nH]cc2)N1 346685243 XQBYKDRVSYRYCV-UHFFFAOYSA-N 269.260 1.087 0 50 CDAA COc1ccc(-c2cnc(NCc3cnnn3C)n2C)cc1 296017662 PGBCEYJLKSALFK-UHFFFAOYSA-N 298.350 1.836 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)c3cc4cccc(F)c4o3)C[C@H]21 534654263 RXZLIJMAPFVAPY-GDGBQDQQSA-N 289.262 1.975 0 50 CDAA CC[C@H](OC1CCCC1)C(=O)N1CCO[C@@H](CC(=O)O)C1 299751534 QWCYXAAMILUZBB-STQMWFEESA-N 299.367 1.426 0 50 CDAA C[C@H]1CN(C(=O)COc2cccc(F)c2)CCN1 299738578 CJJBHZGHUBCKJY-JTQLQIEISA-N 252.289 1.025 0 50 CDAA CC[C@@H](NC(=O)Cn1ncnn1)c1nc(C)c(C)s1 299799723 ZHJXOEHSDINISH-SECBINFHSA-N 280.357 1.014 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1cccc(C(C)=O)c1 299762220 MKSWOFVAMYOWOP-KBPBESRZSA-N 292.335 1.815 0 50 CDAA CS(=O)(=O)CCC(=O)N1CCc2sccc2C1 298506439 MZPLKMPHAOXXAK-UHFFFAOYSA-N 273.379 1.068 0 50 CDAA COc1nsc(OC)c1I 725378330 HBWQZWUCXVECGF-UHFFFAOYSA-N 271.079 1.765 0 50 CDAA CCN(CC)CCN(CC)C(=O)c1cnc(C)nc1 823060607 DSGBBFUKLGCVCK-UHFFFAOYSA-N 264.373 1.589 0 50 CDAA CN1CC[C@](C)(Cn2cnc3cccc(F)c3c2=O)C1 584897167 HAIJTHKWSIFTIZ-HNNXBMFYSA-N 275.327 1.877 0 50 CDAA Cc1[nH]nc2c1CN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2 584896989 KWPWYWHKQGTLQA-GRYCIOLGSA-N 257.337 1.815 0 50 CDAA CSCCN1CCN(C(=O)CN2CCC(C)CC2)CC1 670458889 MLCXUULUGFJNFC-UHFFFAOYSA-N 299.484 1.226 0 50 CDAA CC(C)CN1CCN(C(=O)CC2CCC2)C[C@@H]1CCO 584893661 HFBQOBAGUGUGMC-HNNXBMFYSA-N 282.428 1.728 0 50 CDAA Cc1nsc(NCC2(S(C)(=O)=O)CCCC2)n1 672333575 SVPYJMXHKGGDMY-UHFFFAOYSA-N 275.399 1.616 0 50 CDAA O=C1CN(C(=O)CC(F)(F)F)[C@@H]2CCCC[C@@H]2N1 132160974 JOGKHFDUVALOBK-JGVFFNPUSA-N 264.247 1.208 0 50 CDAA Cn1ccnc1CN(CCO)Cc1ccc2c(ccn2C)c1 952873740 ZQIVPFOYWWBWSY-UHFFFAOYSA-N 298.390 1.906 0 50 CDAA CC(C)(C)[C@H](Cn1ccnc1)NC[C@@H]1[C@H]2CNC[C@H]21 952868756 ABRFIRSNJFGRJT-DGAVXFQQSA-N 262.401 1.353 0 50 CDAA COCc1cc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)C2)[nH]n1 1565508091 MTIUIGFWYJUPHG-ZJUUUORDSA-N 295.339 1.015 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)CCCn1nc(C)cc1C 1565507675 RVEFICXYHPHBLS-KBPBESRZSA-N 295.383 1.200 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(CO)cc2)C[C@]1(O)C1CC1 1565514598 QNHFSKKWXXNUDC-MEDUHNTESA-N 275.348 1.412 0 50 CDAA CS(=O)(=O)c1cc(N)cc(Br)c1F 94986259 XQDFJLFNPIOAMH-UHFFFAOYSA-N 268.107 1.574 0 50 CDAA in-vitro Cc1cccc(OCCNC(=O)Cn2sccc2=O)c1 408518664 SWOVFFCPGUSQJM-UHFFFAOYSA-N 292.360 1.413 0 50 CDAA Cc1nc(C)c(C)c(N2CCC[C@@](O)(c3cnn[nH]3)C2)n1 583616872 PNHBVLUZEBXTBO-AWEZNQCLSA-N 288.355 1.008 0 50 CDAA CCO[C@H]1C[C@@H](NCc2c[nH]c(=N)[nH]c2=N)C12CCCC2 638705730 QIMULVPUTLRXFF-NEPJUHHUSA-N 291.399 1.129 0 50 CDAA CCO[C@H](C)C(=O)N1Cc2cnnn2Cc2ccccc21 188988528 OPQYLSBCJYLLSV-LLVKDONJSA-N 286.335 1.598 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccn(C)c2)C1 643772469 CGKMFXARRCFFGH-OLZOCXBDSA-N 260.341 1.710 0 50 CDAA CCn1nncc1CNC[C@@H]1CCCO[C@H]1c1cc[nH]n1 643819382 HRNLCGWRNRXMAW-SMDDNHRTSA-N 290.371 1.279 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(Cc2cccc(O)c2)CC1 191430751 GNVZMZOSWOXGJV-AWEZNQCLSA-N 278.352 1.373 0 50 CDAA Cc1cc(COCC(=O)N[C@H]2CC=CCC2)on1 193670097 QPYOQFUABRNOMS-NSHDSACASA-N 250.298 1.725 0 50 CDAA O=C(NCCc1cc[nH]n1)c1cccc2ncccc12 714556031 WHWPPWADYKWGPR-UHFFFAOYSA-N 266.304 1.930 0 50 CDAA O=C(c1cnc(O)c2ccccc12)N1C[C@H](O)[C@@H](F)C1 1616117688 CEPFBPZXQSSIBL-RYUDHWBXSA-N 276.267 1.095 0 50 CDAA CN(CC1COCCOC1)C[C@H]1Cc2ccccc2O1 1857694803 XTVZIVLENMVMOC-OAHLLOKOSA-N 277.364 1.585 0 50 CDAA O=C(CCc1cccnc1)N1CCC[C@@H]1C1(O)CC1 1772806319 CSPGFHOMWWOIKF-CYBMUJFWSA-N 260.337 1.530 0 50 CDAA CCOC(=O)/C=C/c1ccc(OCC(=O)OC)c(OC)c1 160532 GIJJASFJRAJLCJ-SOFGYWHQSA-N 294.303 1.823 0 50 CDAA CC1(F)CCN(C(=O)[C@@H]2C[C@H]3C[C@@H](N)[C@H]3C2)CC1 1857527862 LQZZAZJWXSIRLT-WHOHXGKFSA-N 254.349 1.710 0 50 CDAA Cn1ccnc1CCN1CCCN(Cc2cccnc2)CC1 1529173700 OLFBTTKHYUWXHV-UHFFFAOYSA-N 299.422 1.566 0 50 CDAA COc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1F 334625211 ZHGMEMAYZDXQHQ-UWVGGRQHSA-N 271.263 1.379 0 50 CDAA CC[C@H](C)N(CC(=O)O)C(=O)c1ccnc(C)n1 119098884 JQOUAUNJTKPMGL-QMMMGPOBSA-N 251.286 1.110 0 50 CDAA COC(=O)CCCN1CCN(C(C)=O)C2(CCCCC2)C1 368466500 MTJRDNGKSUUMDD-UHFFFAOYSA-N 296.411 1.807 0 50 CDAA O=C(O)CCN1CCO[C@H](CCc2ccccc2)C1 262378954 NXZRMZYVQMOKKO-CQSZACIVSA-N 263.337 1.795 0 50 CDAA C[C@@]1(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCOC1=O 585085386 QZFIPECLUSANPI-AYGWYOGXSA-N 251.326 1.635 0 50 CDAA C=C=CCNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 496965278 VZCGFPREBPLUEX-SNVBAGLBSA-N 252.314 1.453 0 50 CDAA C[C@H](CN1CCCC1)Nc1ncc(F)c(N(C)C)n1 1772703856 JRYKWTYSYUNESE-SNVBAGLBSA-N 267.352 1.578 0 50 CDAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(F)c(F)c1 13957703 FEDHEIMYWLVVRS-LBPRGKRZSA-N 298.289 1.541 0 50 CDAA Cc1ccc(C)c(NC(=O)CCN2CCOCC2)c1 19841414 GQNYKRQJFAJCKG-UHFFFAOYSA-N 262.353 1.964 0 50 CDAA CCOC(=O)[C@@H]1CCc2c(nnn2Cc2ccccc2)C1 169795000 VNVRUJVTOFVIPW-CYBMUJFWSA-N 285.347 1.994 0 50 CDAA CCCOc1ccc(C(=O)N2CCN(C)CC2)cc1 6728954 UVDLICOPCWJWHB-UHFFFAOYSA-N 262.353 1.863 0 50 CDAA COc1ccc2c(c1)C[C@H](NC(=O)[C@H]1CCOC1)CC2 1857527761 YYCGFSDREQQDCF-GXTWGEPZSA-N 275.348 1.705 0 50 CDAA CO[C@]1(CNC(=O)CCc2ccccc2)C[C@H](C(=O)O)C1 1857529211 JHPFYSZJCNKTAU-AKAXFMLLSA-N 291.347 1.615 0 50 CDAA CCC[C@@]1(CO)CN(C(=O)c2cncc(F)c2)CC[C@H]1O 1857735141 JVXXPCIFXRGPTD-HIFRSBDPSA-N 296.342 1.206 0 50 CDAA COCc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)o1 1857690693 OYDTXOFQCHPWLR-TUAOUCFPSA-N 294.351 1.017 0 50 CDAA Cc1nc(N2C[C@H]3CCN(C)C(=O)[C@H]3C2)c2[nH]ccc2n1 1857704003 ZQAALEBVYDHUMH-MNOVXSKESA-N 285.351 1.181 0 50 CDAA Cc1cccc(CCN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)n1 1857732248 ISZFESSAWWXOII-VNQPRFMTSA-N 276.380 1.404 0 50 CDAA COc1cc(C)ccc1OCCC(=O)N1CC[C@H](N)C1 237108537 QQVAPSDAIZFNHW-LBPRGKRZSA-N 278.352 1.332 0 50 CDAA C[C@@H](NC(=O)N1CC[C@@H](CN(C)C)C1)c1cnn(C)c1 130124880 USLCLKVVQRYRES-NEPJUHHUSA-N 279.388 1.074 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)cc1 2473887 FZELDDAQGDMDHV-LLVKDONJSA-N 278.333 1.358 0 50 CDAA Cc1nn(CC(=O)N2CCC[C@H](C(=O)O)C2)c(C)c1Cl 225445887 JYRJCLUSHJWLBH-JTQLQIEISA-N 299.758 1.477 0 50 CDAA Cc1noc(C)c1CN1CCN([C@@H](C(=O)O)C2CC2)CC1 635015985 JTMJPBSZCUSOMW-CQSZACIVSA-N 293.367 1.272 0 50 CDAA C[C@H]1CN(C(=O)CNC2CC2)C[C@H](c2ccc(F)cc2)O1 237738573 RQIDDGQFWCGDHG-XHDPSFHLSA-N 292.354 1.866 0 50 CDAA COc1ccccc1N1CC[C@@H](Sc2cnn[nH]2)C1=O 241775948 RQOLZDHULRONFL-LLVKDONJSA-N 290.348 1.711 0 50 CDAA O=c1c2ccc(F)cc2ncn1C[C@@]1(O)CCCOC1 656694524 QYUDHJPKIBZIDI-AWEZNQCLSA-N 278.283 1.077 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)c1ccc(N2CCCC2)nc1 262890517 NPXCIQOBGSLMOZ-SNVBAGLBSA-N 277.324 1.227 0 50 CDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cc[nH]c3)CC2)C1 1704327305 BMCOXNJEEWAKFI-CQSZACIVSA-N 278.352 1.551 0 50 CDAA c1ccc2c(c1)CC[C@@H](Cc1nc(N3CCNCC3)no1)C2 823335334 RVFDLZBMIPYJGT-CYBMUJFWSA-N 298.390 1.827 0 50 CDAA CCn1ncc(CN[C@H](C)c2ccnc(OC)c2)n1 839106521 IYXCMSGDSPTNHN-SNVBAGLBSA-N 261.329 1.552 0 50 CDAA CCc1ncnc(N2CC[C@H](c3cnccn3)C2)c1F 952995388 KORIGPXLEVGJFQ-JTQLQIEISA-N 273.315 1.962 0 50 CDAA C[C@H]1C[C@](C(=O)O)(n2ncc(C(F)(F)F)n2)CCO1 1875305285 OPNSOEVGOAMCNR-IMTBSYHQSA-N 279.218 1.276 0 50 CDAA O=C(NC1CC1)c1nc[nH]c2ncc(Br)c1-2 1875329043 AWFDGTNJGRUSSX-UHFFFAOYSA-N 281.113 1.564 0 50 CDAA CN(C)C/C=C/C(=O)N(C)Cc1ccc(N(C)C)nc1 1875375729 NNKUDJDWBQTBBD-VOTSOKGWSA-N 276.384 1.224 0 50 CDAA CC(=O)N[C@@H](C)c1ccc(N2C[C@@H](C)CS2(=O)=O)cc1 1875321778 VAFLMVYCRLYJHQ-MNOVXSKESA-N 296.392 1.670 0 50 CDAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)[C@@H]1CCc2cccnc21 1875312833 CAJWPZPDILEMSX-RSQPEXBXSA-N 272.304 1.091 0 50 CDAA COc1nc(C)ccc1-c1nnc([C@@]2(OC)CCOC2)o1 886086026 PJMOHESYHROKJL-CQSZACIVSA-N 291.307 1.711 0 50 CDAA Cc1cc(OCC(=O)N2CCN(C)C[C@H]2CC(C)C)no1 886591440 UUMBITLRCBXORV-CYBMUJFWSA-N 295.383 1.551 0 50 CDAA C[C@H]1CN(C(=O)c2ccsc2C(=O)O)CCCO1 1775993942 ORSQICDYKJFIHO-QMMMGPOBSA-N 269.322 1.697 0 50 CDAA Cc1cccnc1N1N=C(C2CCOCC2)CC1=O 899353388 YRLNFKWFPSZADD-UHFFFAOYSA-N 259.309 1.909 0 50 CDAA COCC1(c2nc(-c3ccncc3)no2)CCNCC1 261722601 JRPOQKRTADYOIT-UHFFFAOYSA-N 274.324 1.399 0 50 CDAA NC(=O)[C@H]1CCC[C@H](NC(=O)c2cccc(N)c2)C1 262639772 YUHICXVKTVKGIK-CABZTGNLSA-N 261.325 1.043 0 50 CDAA Cn1ncc(Cl)c1C(=O)NC1(C(=O)O)CCCCC1 515869959 INKPCEAOVJMAIZ-UHFFFAOYSA-N 285.731 1.591 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CCCNCC1 534660295 ZFNVKZMXDDJDTO-GFCCVEGCSA-N 264.373 1.075 0 50 CDAA O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC1 1255724729 RROREUGSQWDOMT-UHFFFAOYSA-N 281.255 1.980 0 50 CDAA Cc1nsc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 2100539629 QQCAGDZFMWREQQ-NEPJUHHUSA-N 276.365 1.281 0 50 CDAA C[C@@H](NC1CSCCSC1)c1cnn(C)c1 584895119 QAQYIBCFTWMHDL-SECBINFHSA-N 257.428 1.919 0 50 CDAA Cc1cccn2c(=O)cc(N3CCO[C@@H](C)[C@@H]3C)nc12 2325789306 IYXKFAJOEJUUDC-RYUDHWBXSA-N 273.336 1.617 0 50 CDAA CN(C(=O)c1nc(O)nc(O)c1N)c1ccc2[nH]ccc2c1 2325823755 DBBRAZZPIOQUAD-UHFFFAOYSA-N 299.290 1.228 0 50 CDAA Cc1ccc2c(c1)nc(CNC[C@@](C)(O)C(F)F)n2C 905213169 BTPKYHMPEAEIAA-CQSZACIVSA-N 283.322 1.987 0 50 CDAA C[C@H]1CC(C)(C)CN1C(=O)c1ccnc2[nH]c(O)nc12 910462559 RFGYBNBHNPPLRX-QMMMGPOBSA-N 274.324 1.924 0 50 CDAA O=C(NCC[C@@H]1CCCNC1)c1[nH]nc2ccccc12 110791939 ZEXFOPQWCBWWAJ-NSHDSACASA-N 272.352 1.682 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccccc2)S1 54578 JEFVYQYZCAVNTP-CYBMUJFWSA-N 277.349 1.862 0 50 CDAA in-vitro Cc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1 141508 IAMZJEPIWQZBPO-JTQLQIEISA-N 277.305 1.625 0 50 CDAA O=C(NN1C(=O)C=CC1=O)c1cccc(Br)c1 283402 JETMVEVOXNKGLC-UHFFFAOYSA-N 295.092 1.019 0 50 CDAA O=C(NCc1ccc(F)cc1)c1nc2ncccn2n1 338922 LOQQPNRHXFKLAX-UHFFFAOYSA-N 271.255 1.193 0 50 CDAA CC1=NNC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)C1 382774 MNRZATAXCVOLFN-VIFPVBQESA-N 263.272 1.666 0 50 CDAA COc1ccccc1NC(=O)C(=O)N1CCCCC1 2902298 QBYYCTUFDOIZMO-UHFFFAOYSA-N 262.309 1.646 0 50 CDAA COc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)O)c(O)c1 132720332 ZMWZFHNJJLLICN-JGVFFNPUSA-N 267.281 1.240 0 50 CDAA C[C@@H]1[C@H](c2ccccc2)N(C)CC[C@@]12NC(=O)NC2=O 6576969 FQTIIVLASVNVSP-IXPVHAAZSA-N 273.336 1.278 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 6699570 ACOLHGJPRLSLBA-SKDRFNHKSA-N 282.365 1.531 0 50 CDAA CCOc1ccc(C(=O)NCC(=O)OC)c(OCC)c1 6700460 WFLLJZVYLZPVFR-UHFFFAOYSA-N 281.308 1.387 0 50 CDAA O=C(O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 50919725 UCOSZZUUWOGZFS-JTQLQIEISA-N 251.257 1.649 0 50 CDAA CC(C)NC(=O)c1cnc2sc3c(n2c1=O)CCCC3 10327205 FJHIBTKYGVTEQO-UHFFFAOYSA-N 291.376 1.773 0 50 CDAA Cc1nc(S)sc1CC(=O)N[C@H]1CCC[C@@H]1O 132878102 OBMSTRMSTWQYDW-YUMQZZPRSA-N 272.395 1.312 0 50 CDAA NC(=O)CSc1nnc(-c2ccco2)n1C1CC1 9143667 GWKFONAMHXLTCW-UHFFFAOYSA-N 264.310 1.450 0 50 CDAA CO[C@@H]1CCN(C(=O)[C@H](C)OCC(F)(F)F)[C@H](C)C1 225658002 DENGRJUKZDGAKN-KXUCPTDWSA-N 283.290 1.980 0 50 CDAA CC(C)N1C[C@H](C(=O)NCCc2nccs2)CC1=O 50450908 DSWAWWBVCKQNAS-SNVBAGLBSA-N 281.381 1.059 0 50 CDAA CCN(CC)CCC[C@]1(C)NCCc2[nH]cnc21 65492161 QPOXZVUVIWXHRA-AWEZNQCLSA-N 250.390 1.893 0 50 CDAA O=C(O)[C@@H]1N(C(=O)C(F)(F)F)CCCC1(F)F 306145208 KPRJNVYYIWEUHN-BYPYZUCNSA-N 261.146 1.260 0 50 CDAA Cc1n[nH]c(-c2ccc(NC(=O)[C@H]3CCCO3)cc2)n1 65187219 BGWBQCLQVJYCBI-GFCCVEGCSA-N 272.308 1.898 0 50 CDAA COC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 20367263 SPLUKDVFNTUIFD-UHFFFAOYSA-N 262.353 1.286 0 50 CDAA COCC1(C(=O)NCCc2cnc3ccccn23)CCC1 65371259 KENQXFOOAGSHNH-UHFFFAOYSA-N 287.363 1.810 0 50 CDAA CN(CC1(CO)CCCC1)C(=O)Cc1ccncc1 67513717 QQDYRGPLVMVJMX-UHFFFAOYSA-N 262.353 1.635 0 50 CDAA O=C(Nc1nnn[nH]1)C(O)(c1ccccc1)c1ccccc1 22590253 BTZCETXSIRJARF-UHFFFAOYSA-N 295.302 1.074 0 50 CDAA O=C(NCCCN1CCOCC1)NC1CCCCC1 20160484 JHZKQAKELUFZQV-UHFFFAOYSA-N 269.389 1.341 0 50 CDAA Cn1ncc2c1CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O 1535326117 QUZDRKATMFSEPM-JTQLQIEISA-N 281.312 1.339 0 50 CDAA COCC1(C(=O)N(C)Cc2nonc2C)CCC1 65387828 HXJTWEZYEFOOQY-UHFFFAOYSA-N 253.302 1.153 0 50 CDAA CN(C[C@H]1CCCCO1)c1cc(NC2CC2)nc(N)n1 65380674 YOTJGUMSASOXAO-LLVKDONJSA-N 277.372 1.638 0 50 CDAA C[C@]1(Cc2ccccc2)OC(=O)N(CCO)[C@]1(C)O 1421484 JZDZKOBEYFBJPX-ZIAGYGMSSA-N 265.309 1.141 0 50 CDAA Cc1ccc(CN(CC2CC2)C[C@@H]2CN(C)CCO2)nc1 328646146 SKRBIQJFRJXSOB-KRWDZBQOSA-N 289.423 1.933 0 50 CDAA CCCN1C[C@H](C(=O)NCc2ccco2)CC1=O 33359499 ZOYUPDKEKAWATI-SNVBAGLBSA-N 250.298 1.154 0 50 CDAA CCCS(=O)(=O)Nc1cnc2c(c1)COCC2 253420322 PYLGLDMFPOXZDL-UHFFFAOYSA-N 256.327 1.306 0 50 CDAA CCc1ccsc1C(=O)N1CCOC[C@@H]1c1ncon1 253425821 IVZJRZRMQDTRCO-SNVBAGLBSA-N 293.348 1.907 0 50 CDAA O=C(c1ccccc1)c1c2nc[nH]c(=O)c2c2n1CCC2 33892467 ZWBYDLOAEFFZJQ-UHFFFAOYSA-N 279.299 1.902 0 50 CDAA Cc1nnc2c3ccccc3c(N(C)CC3(CO)CC3)nn12 329215177 MHDPMXBSFXTJJS-UHFFFAOYSA-N 297.362 1.795 0 50 CDAA c1cc(Cn2ccnc2-c2cc3n(n2)CCCNC3)ccn1 72475262 OSXAYCSCWHVDCZ-UHFFFAOYSA-N 294.362 1.683 0 50 CDAA CCc1nc(C)ccc1OCC(=O)N[C@@H]1CCOC1 215588196 OERKDPZSAQVYDU-LLVKDONJSA-N 264.325 1.236 0 50 CDAA Cc1nc(CN2CCC[C@@](O)(CN(C)C)CC2)co1 72168760 SLANNVLZTMOBTQ-AWEZNQCLSA-N 267.373 1.262 0 50 CDAA O=C(CCc1ccccc1O)N[C@@H]1CCCS(=O)(=O)C1 330756356 DPDZQJDWNADFGN-GFCCVEGCSA-N 297.376 1.018 0 50 CDAA CCc1ccsc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 368290475 NVQPKDRZCWKWFE-SECBINFHSA-N 293.352 1.037 0 50 CDAA COc1ccc(I)nc1OC 35270314 FTFRZLORDYKKMJ-UHFFFAOYSA-N 265.050 1.703 0 50 CDAA C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](C2CC2)O1 373428348 UIKVSQDXNYVWCE-RNCFNFMXSA-N 275.352 1.538 0 50 CDAA Cc1cc(C)c(C(=O)N2CC(c3cccnc3)C2)c(=O)[nH]1 72167704 SGBYSGNTWKOOGE-UHFFFAOYSA-N 283.331 1.626 0 50 CDAA C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)O)Oc1ccccc1F 262384132 IXKHWWLNKNHNMO-UTLUCORTSA-N 281.283 1.430 0 50 CDAA COCc1cc(C(=O)N2CCC[C@@H](N)C2)ccc1F 157800081 PVLNXBIFYXVZRD-GFCCVEGCSA-N 266.316 1.535 0 50 CDAA CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1 236712332 BPJXVJGWENNPTJ-CYBMUJFWSA-N 290.319 1.126 0 50 CDAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCNC2=O)c1 72480710 UTKKNTQPBLTYMN-CYBMUJFWSA-N 290.363 1.008 0 50 CDAA C[C@H](C(=O)N1CC[C@H](C(=O)O)C1)c1cccs1 237413393 HVLSCMOLLYHXEJ-IUCAKERBSA-N 253.323 1.785 0 50 CDAA CC(C)[C@H](NC(=O)N(C)Cc1ccoc1)C(=O)O 42448985 XMNUFMDKFFKNAY-JTQLQIEISA-N 254.286 1.530 0 50 CDAA N[C@H]1CCCN(C(=O)NCCOc2ccc(Cl)cc2)C1 416849648 NTZMVIPVZNCZLE-LBPRGKRZSA-N 297.786 1.852 0 50 CDAA CCc1occc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 286065438 CDSXQRQWGNJBTC-YUTCNCBUSA-N 293.363 1.844 0 50 CDAA c1coc(-c2nnc(CN3CCN4CCCC[C@@H]4C3)o2)c1 172802522 CSHGTYJQHJNBPN-GFCCVEGCSA-N 288.351 2.000 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)N1CCn2nc(C)cc2C1 426582944 ZZVKEHLMPJWEKJ-LLVKDONJSA-N 294.355 1.360 0 50 CDAA C[C@H](NC(=O)NC[C@H](C)Cc1cccs1)C(=O)N(C)C 175625975 MRFMFHRLZISPBX-MNOVXSKESA-N 297.424 1.703 0 50 CDAA C[C@@H]1C[C@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 229917503 WIGKLQPOWNPCMI-KKIHLJRUSA-N 282.321 1.209 0 50 CDAA biogenic C[C@@H]1CN(C(=O)c2csc(CN(C)C)n2)C[C@]1(C)O 91645196 UGKREQKLHSBKAO-RNCFNFMXSA-N 283.397 1.048 0 50 CDAA CCn1ncc(C(=O)N2CCN[C@H](c3ccccc3)C2)c1C 97568795 JJQUGZVMYDUCLX-INIZCTEOSA-N 298.390 1.998 0 50 CDAA Cc1cc(N2CC(O)C2)nc(-c2ccccc2O)n1 91626406 WBGGRCPKXBKYHX-UHFFFAOYSA-N 257.293 1.339 0 50 CDAA Cc1nc(C(=O)N(C)CCn2cccn2)cs1 96136828 FFQHHAUUGLPBPH-UHFFFAOYSA-N 250.327 1.420 0 50 CDAA O=C([C@H]1CCNC1)N1CCN(C/C=C/c2ccccc2)CC1 97619285 DEYZAGFLZIAJJL-PFWMLDTASA-N 299.418 1.454 0 50 CDAA O=C(NCC[C@]1(O)CCCOC1)[C@@H]1C[C@@H]2C[C@@H]2C1 616563697 YDYPOAAZKIBWEG-OWTLIXCDSA-N 253.342 1.080 0 50 CDAA COCCN1C[C@H](Cc2cccc3c(N)ccnc23)CC1=O 244723864 MIYAGNIVFHFXPR-GFCCVEGCSA-N 299.374 1.854 0 50 CDAA C[C@]1(OC(=O)c2ccccc2)[C@H]2C=C[C@H]1[C@H]1C(=O)N[C@H]21 257357860 QKUAKIUNNFNAGZ-LVYCXYHQSA-N 269.300 1.533 0 50 CDAA O=c1c(Br)c[nH]cc1I 137177395 JSJXGABOPRMRDP-UHFFFAOYSA-N 299.893 1.742 0 50 CDAA CC[C@@H](C(=O)O)N(c1cccc(OC)c1)S(C)(=O)=O 252535899 HCYBEWZIHNVOGF-NSHDSACASA-N 287.337 1.324 0 50 CDAA CCCCCC[C@H](C)C(=O)Nc1nn[nH]c1C(N)=O 297898369 VYLXRMSNBAISPY-QMMMGPOBSA-N 267.333 1.449 0 50 CDAA CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](Cc2nccn2C)C1 299753348 XXMLJLGVMBYGFU-GZBFAFLISA-N 292.427 1.575 0 50 CDAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cccc2c1NCCC2 534644226 VHYCGMLTRRACKN-KBPBESRZSA-N 289.379 1.104 0 50 CDAA CC(C)c1cc(CNS(=O)(=O)c2cn(C)cn2)no1 534660477 PGYSWTFXUOTXII-UHFFFAOYSA-N 284.341 1.010 0 50 CDAA C[C@@H](CC(=O)NCc1n[nH]c(=N)s1)N1CCCCCC1 534580386 XMXKIUKHNNOJAJ-JTQLQIEISA-N 297.428 1.221 0 50 CDAA Cc1c(C(=O)NCC[C@H]2CCOC2)cnc2ccnn12 534589165 MIPCIIJMWPJSSZ-NSHDSACASA-N 274.324 1.194 0 50 CDAA O=C(NCCn1ccnn1)C1(N2CCCC2)CCCCC1 534659053 IFUIJTMWWQAGRB-UHFFFAOYSA-N 291.399 1.193 0 50 CDAA Cc1cnc(CN(C)C(=O)N[C@@H](C)CN2CCCC2)[nH]1 534675424 HCVBCFBXJWTBKY-LBPRGKRZSA-N 279.388 1.344 0 50 CDAA CC[C@H](OC)C(=O)Nc1ccccc1CN1CCOCC1 299318631 DWVQKBGWCJSTQH-HNNXBMFYSA-N 292.379 1.882 0 50 CDAA CC1(CN2CCC[C@H](c3nc[nH]n3)C2)CCOCC1 822307026 WHLCWFSBCNYMDA-LBPRGKRZSA-N 264.373 1.801 0 50 CDAA CC[C@H](C(=O)NCc1csc(N)n1)N1CCCC1 822555702 BWEQDERGKQDWIN-SNVBAGLBSA-N 268.386 1.216 0 50 CDAA CN(C)c1cnc(C(=O)NC(C)(C)C(C)(F)F)cn1 906000786 MVUOIYHQGMMBIW-UHFFFAOYSA-N 272.299 1.706 0 50 CDAA CN1CCOC[C@H](Cn2cnc3ccc(F)cc3c2=O)C1 584898001 OQDSNSSQIRSQBK-NSHDSACASA-N 291.326 1.114 0 50 CDAA CCC1(CC)CCN([C@@H](C)CNS(=O)(=O)CC)C1 822677180 HMOQBGUPMHIWCY-LBPRGKRZSA-N 276.446 1.826 0 50 CDAA Cc1nc(C)c(CC(=O)N[C@H](C)c2nncn2C)s1 584899920 CBUCHBMBACPXRO-MRVPVSSYSA-N 279.369 1.308 0 50 CDAA O=C(c1cncc(=O)[nH]1)N1CCC2(CCCCCC2)C1 584896702 RLWQUAXIGSXJSH-UHFFFAOYSA-N 275.352 1.956 0 50 CDAA CO[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1CCCCN1C(C)=O 685939770 NKKXUCBEFZXQNQ-QLFBSQMISA-N 296.411 1.851 0 50 CDAA C[C@H](Cn1cccn1)C(=O)NCc1ccc(C(=O)O)cc1 952965628 SJLZRXUPPICQRL-LLVKDONJSA-N 287.319 1.534 0 50 CDAA CCc1nccn1CCC(=O)N[C@H]1C[C@H]2OCC[C@@H]12 1565526097 NTQBZPBUCXTULO-SDDRHHMPSA-N 263.341 1.129 0 50 CDAA Cc1ncn(CCNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)c1C 1565526830 AOLLEVYLULASQK-MJBXVCDLSA-N 259.353 1.828 0 50 CDAA Cc1cc(N2CCOC[C@H]2c2ccnn2C)nc(C)n1 585090441 NOSXERWKDUYLKP-ZDUSSCGKSA-N 273.340 1.405 0 50 CDAA c1cn([C@@H]2CCN(CCO[C@H]3CCCCO3)C2)nn1 585116403 UMVUIHPKVSJAKZ-OLZOCXBDSA-N 266.345 1.068 0 50 CDAA O=C(CNC1CC1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 572719137 KGLOFACPNYKYGP-LRDDRELGSA-N 292.354 1.772 0 50 CDAA CCCCCOCC(=O)N[C@](C)(CO)c1ccc(O)cc1 585126440 ZAEMCFDHAYEOTD-MRXNPFEDSA-N 295.379 1.923 0 50 CDAA Nc1cccc(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)c1 275346216 SHXOJRXBHJKBOV-JTQLQIEISA-N 298.364 1.144 0 50 CDAA O=C(O)c1ccc(N2CCN3C(=O)CC[C@@H]3C2)s1 168604859 YFUWKOMJBNVPAG-MRVPVSSYSA-N 266.322 1.257 0 50 CDAA Cc1cn2ccc(C(=O)N3CCCO[C@H](C)C3)cc2n1 635484074 ZNMHKMKRXABQRO-GFCCVEGCSA-N 273.336 1.894 0 50 CDAA CC(C)CC[C@@](C)(O)CNC(=O)c1cccc2nn[nH]c12 188236501 PXWNKDMZYNSICP-OAHLLOKOSA-N 290.367 1.875 0 50 CDAA O=C(Cc1ccc(F)c(F)c1)Nc1cnns1 191304103 GSQFBKZRYOQUDY-UHFFFAOYSA-N 255.249 1.998 0 50 CDAA C[C@]1(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)C[C@H]2CC[C@H]1O2 575992222 VGPDGZCRDXVJIU-JXWYGANNSA-N 279.336 1.408 0 50 CDAA CC(C)n1cncc1CSc1nnc(CCN)n1C 720990868 YYYKGVMDLPMQQN-UHFFFAOYSA-N 280.401 1.386 0 50 CDAA CSc1nn(Cc2nc3ccccc3nc2C)c(=O)[nH]1 194581429 RDWFYKHWEXUEIO-UHFFFAOYSA-N 287.348 1.593 0 50 CDAA CN(Cc1cnccn1)[C@@H](C(=O)O)c1ccsc1 577499256 RYSNDFCEMPIVMT-LLVKDONJSA-N 263.322 1.796 0 50 CDAA C[C@H]1OCC[C@H]1NC(=O)NCCc1ccc2c(c1)CCO2 195547142 HTBUENUUJIOIOW-BXUZGUMPSA-N 290.363 1.641 0 50 CDAA C[C@@]1(C(=O)N[C@@H](CO)c2ccsc2)C[C@H]2CC[C@H]1O2 673081956 KNKHYTYVEYIXGD-GFQSEFKGSA-N 281.377 1.855 0 50 CDAA COCCN1CCC(NCc2nccn2C(C)C)CC1 657331098 NUHTZWFHBAYRSE-UHFFFAOYSA-N 280.416 1.664 0 50 CDAA CC[C@@H]1CN(C(=O)C2(C(=O)O)CC2)CCN1CC(F)F 570635437 HARGNLDYSIUILE-SECBINFHSA-N 290.310 1.039 0 50 CDAA O=c1cc(CN(C2CCC2)C2CNC2)nc2sccn12 695153138 MHVDRGUQLFLIDW-UHFFFAOYSA-N 290.392 1.082 0 50 CDAA CCc1cccnc1C(=O)N1C[C@H](C)[C@@H](C(=O)O)C1 1614989769 NTFBFRYCXCUKDZ-ONGXEEELSA-N 262.309 1.437 0 50 CDAA CC(F)(F)C(C)(C)CNC(=O)[C@]12CNC[C@H]1CCOC2 1615547140 OGXXYLPFZIIDMD-YGRLFVJLSA-N 290.354 1.410 0 50 CDAA C[C@H]1C[C@H]1C(=O)N(C)CCc1ncc(Br)cn1 1615550355 UMGAFYVEEGBCNP-WCBMZHEXSA-N 298.184 1.896 0 50 CDAA O=C(NCCc1ccccn1)[C@H]1NCCOc2ccccc21 1615613972 COZVPNYBUFQAHH-INIZCTEOSA-N 297.358 1.464 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)C1=C(C)OCCO1 1506411718 KQSNDSXEFHQQKW-SECBINFHSA-N 280.328 1.144 0 50 CDAA CN(CCS(C)(=O)=O)Cc1ccc2nsnc2c1 1506397982 ZTEOQKPSJVXUFW-UHFFFAOYSA-N 285.394 1.168 0 50 CDAA CCOCCN(C)C(=O)CSc1nnc(C)s1 1506430264 ADEWNWIWIQEOHH-UHFFFAOYSA-N 275.399 1.434 0 50 CDAA CCN(Cc1cccnc1)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704337347 QWVQAWOKQXTCJT-QLFBSQMISA-N 292.379 1.606 0 50 CDAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cccn2C)C[C@H]1O 1704337716 DBNGVUZCTHEOMM-DOMZBBRYSA-N 294.351 1.103 0 50 CDAA O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cnn2ccccc12 225899949 WNVKGYMCBZQQPQ-VHSXEESVSA-N 273.292 1.317 0 50 CDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cccn1C)C2 1857668574 ZOWPWVMMLURXEK-CQSZACIVSA-N 277.324 1.082 0 50 CDAA Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)O)c1C 3326659 SVNVDQLSTLUUOY-NSHDSACASA-N 285.365 1.672 0 50 CDAA in-vitro Cc1c(Cl)c(C(=O)NCCN2CCCC2(C)C)nn1C 421883402 DJDNVVKWDHVTFJ-UHFFFAOYSA-N 298.818 1.986 0 50 CDAA Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(F)cc1O)C2 1772807306 MCPKCZNPIVCKQP-SECBINFHSA-N 290.298 1.034 0 50 CDAA C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CCC(=O)O 5002253 FKTNUAKIEVYNBD-VIFPVBQESA-N 276.292 1.615 0 50 CDAA CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O 13983453 WIKGAEMMNQTUGL-SNVBAGLBSA-N 277.711 1.914 0 50 CDAA in-vitro COC(=O)[C@@H](NC(=O)c1cnccn1)c1cccc(C)c1 19300416 NINXVUASLGWBAC-ZDUSSCGKSA-N 285.303 1.429 0 50 CDAA COc1ccc(CN2CCN(c3ncccn3)CC2)cc1 19536628 ZCHSTIAHIFVNEK-UHFFFAOYSA-N 284.363 1.807 0 50 CDAA COc1cc(CN2CCN(C)CC2)cc2c1OCO2 19606930 MGWOEUPQEICENC-UHFFFAOYSA-N 264.325 1.171 0 50 CDAA COc1ccccc1-c1noc(CN2CCOC2=O)n1 19773688 NPPHKLCAMONVCP-UHFFFAOYSA-N 275.264 1.697 0 50 CDAA O=C(N[C@@H]1CCSC1)c1ccc2c(c1)OCCO2 19837992 GHQZHDXSFYJDIE-SNVBAGLBSA-N 265.334 1.693 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]12 169682290 JTGVFHJDSDWBNF-JBBSTSQOSA-N 299.282 1.218 0 50 CDAA CO[C@H](C(=O)N1C[C@H](C)N[C@H](C)C1)c1ccccc1 225168250 PTSUVIJUOSNIQB-SCRDCRAPSA-N 262.353 1.583 0 50 CDAA Cc1ccccc1NC(=O)C(=O)NCc1cccnc1 2964791 KPODPQMEOCIGGV-UHFFFAOYSA-N 269.304 1.645 0 50 CDAA C[C@@H](C(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(F)c1 237456161 BKQDADGCXMGPMU-BXKDBHETSA-N 281.283 1.241 0 50 CDAA Cc1nc(C[C@H]2CCCN(C(=O)CC3(N)CCC3)C2)no1 237773349 OEZVRDJTDAOSLB-GFCCVEGCSA-N 292.383 1.431 0 50 CDAA O=C(N[C@@H]1CCc2ncnn2C1)[C@H](c1ccccc1)C1CC1 154226222 QKXOMNNJPHVBIU-GDBMZVCRSA-N 296.374 1.903 0 50 CDAA Cc1cc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)no1 579133320 KOCDSTPBIKMWIB-ZANVPECISA-N 278.283 1.974 0 50 CDAA Cc1cc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)no1 579133317 KOCDSTPBIKMWIB-NOZJJQNGSA-N 278.283 1.974 0 50 CDAA C=CC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O 390834721 UMWDPPJNYNPAFM-BXUZGUMPSA-N 281.377 1.771 0 50 CDAA COc1ccc(CC(=O)N[C@H]2CCCNC2)c(C)c1 911671751 BUGVSAQYOQTTDT-ZDUSSCGKSA-N 262.353 1.414 0 50 CDAA NC[C@@H]1Cc2cc(F)ccc2N(CCN2CCOCC2)C1 903568303 JXLKBBNYJJVKRZ-ZDUSSCGKSA-N 293.386 1.095 0 50 CDAA Cc1cccnc1N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704354354 CROUYIQMNIBBEU-GDBMZVCRSA-N 275.396 1.673 0 50 CDAA Cc1conc1CN1CC[C@@H](n2cc(C3CC3)nn2)C1 931125447 IENYEKGTKVLHAN-GFCCVEGCSA-N 273.340 1.899 0 50 CDAA Cc1cnn(CCN[C@@H]2C[C@H](N)c3ccccc32)c1 236009988 XGQFENGESNJXOT-LSDHHAIUSA-N 256.353 1.926 0 50 CDAA Cc1ncc(C(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)[nH]1 872765130 IGJRPEGADNHELF-GXFFZTMASA-N 263.297 1.188 0 50 CDAA O=C(N[C@@H](CO)c1cccnc1)c1c[nH]c2ncccc12 1299579543 CIBVMQKSXUAWRB-ZDUSSCGKSA-N 282.303 1.421 0 50 CDAA Cc1ccc2ncc(C(=O)N3CC[C@H](O)C3)cc2c1 1875293547 UVXVDZUDUWEBNM-ZDUSSCGKSA-N 256.305 1.750 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc(C(C)C)cn1 1875273133 APBHFCXGEOFLHS-SNAWJCMRSA-N 262.309 1.664 0 50 CDAA CC(C)c1ccc([C@H](CO)NC[C@H]2C[C@H](CO)CO2)cc1 1875292415 HOHBRFZRBCWPGR-XYPHTWIQSA-N 293.407 1.830 0 50 CDAA CN(C)Cc1cc(C(=O)N2CC(N3CCCC3)C2)ccn1 1875335453 LDRUTSDTYBVBAU-UHFFFAOYSA-N 288.395 1.063 0 50 CDAA C[C@@H]1CCc2[nH]nc(C(=O)NC[C@@H]3[C@H]4CC[C@H]43)c2C1 1875300748 OYGNPXYRFFWTED-SVDPJWKOSA-N 259.353 1.920 0 50 CDAA Cc1cc(N2CC[C@@](O)(CN(C)C)C2)nc(C2CC2)n1 895008624 BNFUJUIILFMWQN-OAHLLOKOSA-N 276.384 1.165 0 50 CDAA CCCCNC(=O)N1CCC[C@H](c2cnn[nH]2)C1 1775985547 OKLFGPRWCAYEDU-JTQLQIEISA-N 251.334 1.494 0 50 CDAA C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@@H](N)C1 237667617 TVBOYXNJZCGSMW-GXSJLCMTSA-N 252.289 1.153 0 50 CDAA C[C@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)c2ccsc2)C1 263107578 DEXTUGOKQUQJDQ-DTWKUNHWSA-N 289.378 1.479 0 50 CDAA C1CCN(Cc2noc(C3CCNCC3)n2)CC1 328035151 WEPREVRNCYMTAU-UHFFFAOYSA-N 250.346 1.523 0 50 CDAA CC(C)(C)N1CC[C@@H](NC(=O)CCCC(=O)O)C1 426571336 BCJVSJXSXQBVHN-SNVBAGLBSA-N 256.346 1.230 0 50 CDAA O[C@H]1CN(c2nnc(-c3ccccc3)s2)C[C@@H]1F 1615751025 AXMBBKZPDCKORJ-UWVGGRQHSA-N 265.313 1.724 0 50 CDAA CN1CCN(C2=CC(=O)OC23CCCCC3)CC1 19594297 VKKUIMMYFHBJIG-UHFFFAOYSA-N 250.342 1.377 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(Cc2nc(C3CC3)cs2)C1 2325787276 PHVCWGXZOYHIFA-MRVPVSSYSA-N 266.322 1.454 0 50 CDAA CC(C)(CCCNCc1ccc(O)nc1)C(=O)O 2325789957 YTXOVRSCVKIKJF-UHFFFAOYSA-N 252.314 1.768 0 50 CDAA NC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 55672 TVNWZAQNNZOPCL-CQSZACIVSA-N 298.298 1.564 0 50 CDAA O=C(c1cccnc1)N1CCN(C(=O)c2ccco2)CC1 68683 JOUSTQQAZFCMGF-UHFFFAOYSA-N 285.303 1.273 0 50 CDAA Cc1cc(=O)oc2cc(OCC(=O)N(C)C)ccc12 287766 AKOXEPZYCANYPY-UHFFFAOYSA-N 261.277 1.568 0 50 CDAA CC[C@H](Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 472195 BGOPNLHTFYFKKN-AWEZNQCLSA-N 290.363 1.568 0 50 CDAA CC(C)c1cc(C(=O)NCc2cccc3ncnn23)no1 2356143077 ULEMXQUCYJIVHF-UHFFFAOYSA-N 285.307 1.771 0 50 CDAA Cc1nc(CC(=O)N2CCC[C@]23CCCNC3=O)cs1 2356148567 GCNJJGUVMVDVFF-AWEZNQCLSA-N 293.392 1.265 0 50 CDAA CCOCCNC(=O)c1ccc(-c2cncc(N)n2)cc1 2356149883 XYDGMDMXXYLITE-UHFFFAOYSA-N 286.335 1.492 0 50 CDAA CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@@H]1C(=O)O 3882554 JHFOAISYWJRTIM-WCBMZHEXSA-N 273.354 1.510 0 50 CDAA in-vitro Cc1nnc2sc(Cc3ccccc3)nn2c1=O 6661311 KSWGUILSBNTGPX-UHFFFAOYSA-N 258.306 1.445 0 50 CDAA CC(=O)N1CCC(C(=O)N2CCCC[C@H]2C)CC1 6698279 YJXBDYCUOCYFIZ-LLVKDONJSA-N 252.358 1.646 0 50 CDAA Cc1ccc2oc(N[C@H]3CCC(=O)NC3=O)nc2c1 1322985753 QFZBOXQIZASUJG-QMMMGPOBSA-N 259.265 1.353 0 50 CDAA COc1ccc([C@H]2NCCc3nc[nH]c32)cc1OC 8733355 BSQOBDOISMSIDT-CYBMUJFWSA-N 259.309 1.662 0 50 CDAA biogenic Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 8914874 UUJGVNFMHDYOPB-LBPRGKRZSA-N 299.334 1.725 0 50 CDAA Cn1cnc2c(c1=O)CCN(CC1CCCCC1)C2 225843607 JCEYUPJOAZOHQI-UHFFFAOYSA-N 261.369 1.719 0 50 CDAA CCCN1CCC(NCCN2CCCCC2)CC1 22455512 LTHPORCSYRPGLH-UHFFFAOYSA-N 253.434 1.936 0 50 CDAA CN1CCC(CNC(=O)Cc2ccc(N(C)C)cc2)CC1 67884235 IMCYGSYNERPZHV-UHFFFAOYSA-N 289.423 1.753 0 50 CDAA CCN1C(=O)N(C)C(=O)C12CCN(C(C)C)CC2 20998706 FOYZYCCUXLAALI-UHFFFAOYSA-N 253.346 1.143 0 50 CDAA CCOC1CC(N[C@H]2CCO[C@@H]2c2ccnn2C)C1 344251103 CUTUVJOMOYGKGJ-BUCSNLDVSA-N 265.357 1.407 0 50 CDAA CC(C)c1noc(CCNC(=O)[C@@H]2CCCO2)n1 68162970 NHHMUJJMGIASKK-VIFPVBQESA-N 253.302 1.031 0 50 CDAA CCOCCN1CCN(C[C@H]2CCCCO2)C[C@@H]1CC 247206980 PKUOPQFCZNLPOI-JKSUJKDBSA-N 284.444 1.988 0 50 CDAA O=C([C@H]1C[C@@H](O)CN1)N1CCCC2(CCCCC2)C1 238005980 FAZAPVVUNJNQOR-CHWSQXEVSA-N 266.385 1.282 0 50 CDAA CCN1CCN(C(=O)c2ncccc2C)C[C@H]1c1ncc[nH]1 328639209 WSZRCDWNTVGWQC-ZDUSSCGKSA-N 299.378 1.632 0 50 CDAA COc1ccc(CC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c(OC)c1 219243306 WEIJBQRPISYKFB-IPYPFGDCSA-N 291.347 1.540 0 50 CDAA O=C(NCc1ccnc2ccnn12)[C@H]1CCCc2nccn21 355691645 UYZAPSVHANUYBN-GFCCVEGCSA-N 296.334 1.120 0 50 CDAA CCc1cc(C(=O)NC[C@H]2CCn3ccnc3C2)n[nH]1 328638451 WKFBLLUNIOLMHQ-JTQLQIEISA-N 273.340 1.161 0 50 CDAA CN1CCN(C(=O)[C@@H]2CC=CCC2)C[C@@H]1c1ncc[nH]1 328643278 YRZDDYGUSQFDKD-CHWSQXEVSA-N 274.368 1.581 0 50 CDAA Cc1cccc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)n1 71754777 AIUJGJQXBGSBOL-VWUVDNNOSA-N 258.321 1.639 0 50 CDAA CCOC1CC(CN2CCN(C)[C@@H](c3nc(C)no3)C2)C1 329089656 WGMQFPLLXBDVKR-JXQTWKCFSA-N 294.399 1.482 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1nc(C)no1 428650198 MYTKUGPFQGHHEY-ZJUUUORDSA-N 253.302 1.199 0 50 CDAA Cc1cc(N(C)CCC[C@H]2CCCO2)nc(N)n1 32561087 PYBSAURLXYROQA-NSHDSACASA-N 250.346 1.763 0 50 CDAA O=C(Nc1ccc(F)cn1)N1CCC[C@H](n2cncn2)C1 122289609 RWQRARCUVILUSP-NSHDSACASA-N 290.302 1.681 0 50 CDAA CC(C)OCC(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 363140453 HZHKUAFUEJKMBA-CQSZACIVSA-N 290.363 1.723 0 50 CDAA CC(=O)c1cc(CN2CCC[C@@](O)(CN(C)C)C2)cs1 215553318 WJZXJJDAHMRPEJ-OAHLLOKOSA-N 296.436 1.839 0 50 CDAA CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@H]1N 72267273 DXICWTCECGHECU-LLVKDONJSA-N 288.388 1.724 0 50 CDAA O=C(CCCC1CCOCC1)N1CC[C@@](O)(C2CC2)C1 367199395 JPISUDVNZMVKLL-INIZCTEOSA-N 281.396 1.957 0 50 CDAA Cc1csc2[nH]c(/C=C/c3cnnn3C)nc(=O)c12 126618514 HWOYEYVNCWASAN-ONEGZZNKSA-N 273.321 1.592 0 50 CDAA CC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1ncc(C)[nH]1 215780018 PGAPWJBNBLFVFX-NSHDSACASA-N 288.351 1.904 0 50 CDAA Cc1nc(CCN2C(=O)N[C@@]3(CCSC3)C2=O)cs1 156582585 BPBQKRBUZFCQAG-GFCCVEGCSA-N 297.405 1.422 0 50 CDAA CC(C)Nc1ncc(CN(C)CCn2cccn2)cn1 215403030 PIDFRMXGIKNAJO-UHFFFAOYSA-N 274.372 1.625 0 50 CDAA CCN1CCN([C@H]2CCN(C[C@H]3CCSC3)C2)CC1 375749176 MTRDMPWNQROHFW-CABCVRRESA-N 283.485 1.451 0 50 CDAA Cc1ncc(NC(=O)NC2(CO)CC2)c(C2CC2)n1 333322641 PYZOAPWTRLUKAU-UHFFFAOYSA-N 262.313 1.309 0 50 CDAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc(F)cc1 262104634 JJABQMHUJFJMMW-DGCLKSJQSA-N 295.310 1.884 0 50 CDAA Nc1nc(CCC(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)n[nH]1 77388735 RRTAPFJLUDELNV-GUBZILKMSA-N 263.345 1.014 0 50 CDAA COC1(CN2CCN(C)[C@H](c3nc(C)no3)C2)CCC1 333701727 OEJJKCVRUJEZAS-LBPRGKRZSA-N 280.372 1.236 0 50 CDAA C[C@@H]1CCCN(C(=O)CCCc2ccccn2)[C@H]1CN 237488667 GSKOXHWETWBSQI-HIFRSBDPSA-N 275.396 1.990 0 50 CDAA COC(=O)c1ccc(N2C[C@H](C)O[C@H](C3CC3)C2)nn1 280608953 YHDDBGGPQSBEHD-CABZTGNLSA-N 277.324 1.267 0 50 CDAA COc1ccc(SCCNS(C)(=O)=O)cc1 72119179 OLVKZMRDVHWRJY-UHFFFAOYSA-N 261.368 1.337 0 50 CDAA Cn1cc(O[C@@H]2CN(CCC3=CCCCC3)C[C@H]2O)cn1 625629129 RRDYPFCPRDDZOG-HZPDHXFCSA-N 291.395 1.735 0 50 CDAA CC(C)(C(=O)O)c1ccc(NC(=O)Cn2cccn2)cc1 131133923 CLXKFIJATIXSBX-UHFFFAOYSA-N 287.319 1.884 0 50 CDAA NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc2c(n1)CCC2 520428059 JOPWXJOKGFETJT-NXEZZACHSA-N 259.309 1.020 0 50 CDAA COCCN1C[C@@H](Cc2ccc(CSC)cn2)CC1=O 220695429 KDFKDVLVFUEJAF-ZDUSSCGKSA-N 294.420 1.982 0 50 CDAA O=C(NCc1noc(C2CCCC2)n1)c1ccno1 222253186 NSUGRVYCYVJQFY-UHFFFAOYSA-N 262.269 1.645 0 50 CDAA CCCC[C@@H](CC(=O)O)NC(=O)c1ccc(O)cn1 220630720 KBCBPHMTWDYZLL-VIFPVBQESA-N 266.297 1.551 0 50 CDAA COc1ccnc(C(=O)NCCCc2csc(N)n2)c1 222508613 YURFMIRVVQNJCM-UHFFFAOYSA-N 292.364 1.492 0 50 CDAA Ic1ccc(-n2cncn2)nc1 606295761 KGPJGRSMQFTQSQ-UHFFFAOYSA-N 272.049 1.267 0 50 CDAA O=C1CC[C@@]2(CCCN(c3ccccn3)C2)CN1CCO 82121068 OCIWYLRAHDZEBN-MRXNPFEDSA-N 289.379 1.283 0 50 CDAA O[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cccnc1 284642833 MRMJAFARPLSXIY-RRFJBIMHSA-N 262.353 1.443 0 50 CDAA CCc1nc(C)c(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)o1 222442867 UUCULGSUUCTHCY-BBBLOLIVSA-N 250.298 1.453 0 50 CDAA CCc1c(C)nc(N)nc1NCCc1noc(C2CC2)n1 95386334 ZEPLPUINQJJFCP-UHFFFAOYSA-N 288.355 1.845 0 50 CDAA CCc1cc(CCC(N)=O)nc(N2CCCCC2)n1 91440810 FOOKDNZMZWLZNZ-UHFFFAOYSA-N 262.357 1.447 0 50 CDAA CC(C)n1ccc(Cn2ccnc2S(C)(=O)=O)n1 177319332 DKOUSCIERLKWPL-UHFFFAOYSA-N 268.342 1.112 0 50 CDAA O=C(CC1CCNCC1)N[C@H]1CCCC[C@@H]1CO 231315710 QDVBLSFGMSFNRX-OLZOCXBDSA-N 254.374 1.043 0 50 CDAA Cn1c(C(=O)N[C@H]2COC[C@@H]2O)cc2cccc(Cl)c21 426521547 XKLSFVCJCJRRNU-JQWIXIFHSA-N 294.738 1.321 0 50 CDAA CC(C)c1ncc(C(=O)N[C@H]2CN3CCC2CC3)cn1 97831112 ROSBPZMDJUBNHG-ZDUSSCGKSA-N 274.368 1.424 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2)C1 178965359 MTMZERCHVKLJLK-NSHDSACASA-N 264.373 1.320 0 50 CDAA Cc1ccc2nc(Cn3cc([C@@H]4CCOC4)nn3)cn2c1 91820359 MSNZKYMIYYLVPR-GFCCVEGCSA-N 283.335 1.786 0 50 CDAA O=C(O)CC1(Nc2ncncc2C(=O)O)CCCCC1 95389026 WMIWBEKBDVRMSQ-UHFFFAOYSA-N 279.296 1.764 0 50 CDAA CNc1cc(N2CCC[C@H]2CNc2nccnc2C)ncn1 290682717 SNTWEXCWFBLZBJ-LBPRGKRZSA-N 299.382 1.698 0 50 CDAA c1cc(-c2n[nH]c(CNc3nnc(C4CC4)o3)n2)ccn1 95375568 BEVLQLNMPGCPIZ-UHFFFAOYSA-N 283.295 1.739 0 50 CDAA CCC[C@H]1CN(Cc2cnc(C)nc2)C[C@@H]1N(C)C 91535210 CTOZOYSEUIHPIH-GJZGRUSLSA-N 262.401 1.947 0 50 CDAA O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)[C@@H](O)C1CC1 616353065 LDOYGWKKVZMBFM-LBPRGKRZSA-N 290.298 1.244 0 50 CDAA Cc1c(NC(=O)CN(C)CC[C@H]2CCCCO2)cnn1C 244874757 XGVAOMZOBVBZPE-CYBMUJFWSA-N 294.399 1.558 0 50 CDAA Cn1ccnc(NCCc2cc(C(F)(F)F)ccn2)c1=O 292873631 UAIBDZRSBUABIL-UHFFFAOYSA-N 298.268 1.849 0 50 CDAA Cn1ncc(C(=O)NCCn2cccc2)c1-n1cccc1 342736269 OURCMYKQWKGRFD-UHFFFAOYSA-N 283.335 1.442 0 50 CDAA COc1ccc2oc(CN[C@@H](C)Cn3cncn3)nc2c1 534648523 YPQNQIPAPCDGPA-JTQLQIEISA-N 287.323 1.606 0 50 CDAA CCO[C@H]1COC[C@@H]1Nc1nc(C)nc(O)c1Cl 534666273 COQVHCCLGBFOEC-YUMQZZPRSA-N 273.720 1.360 0 50 CDAA CN(Cc1ccc2nsnc2c1)C(=O)NCCCCO 534648729 NXNHHLIQDNHTME-UHFFFAOYSA-N 294.380 1.605 0 50 CDAA CC[C@@H]1C(=O)Nc2cc(OC)c(OC)cc2C(=O)N1C 534579056 IERWZWMAGHYWSW-SNVBAGLBSA-N 278.308 1.507 0 50 CDAA Cc1nnc(CN2CCC(N3CCC[C@H](O)C3)CC2)s1 299791648 DXYIDTIMFDNEPZ-ZDUSSCGKSA-N 296.440 1.268 0 50 CDAA CCOc1ccnc(NCCc2nc(CC)no2)n1 823399315 SZAGJGMYHLNXTQ-UHFFFAOYSA-N 263.301 1.475 0 50 CDAA C[C@@H](CNC(=O)CCCn1cncn1)Oc1cccnc1 828019321 HFVISEPOVMKZTR-LBPRGKRZSA-N 289.339 1.037 0 50 CDAA CCCCOCC(=O)N(C)CCC1(O)CCCC1 584890849 JNVXQNIQDWUDPW-UHFFFAOYSA-N 257.374 1.957 0 50 CDAA CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H](O)CC2 823836856 MRRJVFDEOMEQLQ-GFCCVEGCSA-N 285.347 1.141 0 50 CDAA CN1C[C@@H](n2cnc3cccc(F)c3c2=O)CCC1=O 584892059 DTAZHXPCZWAXBS-VIFPVBQESA-N 275.283 1.329 0 50 CDAA OC[C@H]1CCCCN1CCNC1Cc2ccccc2C1 828710915 PSFPTIATHGUZCR-QGZVFWFLSA-N 274.408 1.590 0 50 CDAA COc1ccccc1O[C@H](C)C(=O)N(C)CC1(C)COC1 584899404 CFLNNOWWQDCZAN-GFCCVEGCSA-N 293.363 1.957 0 50 CDAA CN(CCn1ccnc1)C(=O)C1(Cn2cccn2)CC1 584885651 GYCZGBGXCOWKKZ-UHFFFAOYSA-N 273.340 1.018 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2c(C)ncnc2C)n[nH]1 670472055 GWEVUGMUVFZULI-QMMMGPOBSA-N 260.301 1.011 0 50 CDAA Cc1ncn(C)c1C(=O)NC[C@H]1CCCN1C(C)C 670456841 ZLZCTLWQNARNMI-GFCCVEGCSA-N 264.373 1.331 0 50 CDAA CCN1CCN(Cc2ncnn2-c2ccc(C)cc2)CC1 670456161 AXCKKWGTSYGHAY-UHFFFAOYSA-N 285.395 1.713 0 50 CDAA CCc1[nH]ccc1C(=O)N[C@H]1CCO[C@H]1c1n[nH]c(C)n1 685943218 XUWROJGOXKBRBQ-NWDGAFQWSA-N 289.339 1.264 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)N1CCCc2cccc(O)c21 833772159 YZDYESVGRZTOOY-UWVGGRQHSA-N 261.277 1.392 0 50 CDAA C[C@@H](CCN(C)Cc1cccnc1N)N1CCCC1 952872905 RJWZZZMZFGTBRH-ZDUSSCGKSA-N 262.401 1.970 0 50 CDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc2cc[nH]c2c1 1565515347 BYELRVFPDNXMCO-UKMLZYKCSA-N 299.374 1.615 0 50 CDAA CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCC1 209712082 CETARMVULOWSTO-UAWPZABVSA-N 268.382 1.477 0 50 CDAA CC(=O)c1cc(N2CCN3CCCC[C@@H]3C2)ccn1 170087362 SQHZSNSHBDFRBF-CQSZACIVSA-N 259.353 1.959 0 50 CDAA Cc1nn(C)c(C)c1OCc1nnc2n1CCCC2 278258463 NHXBDZDOCNPKLH-UHFFFAOYSA-N 261.329 1.544 0 50 CDAA CN(C)c1cc(CNc2ncnc3[nH]ncc23)ccn1 170610250 HEMIIMHOCAPTOA-UHFFFAOYSA-N 269.312 1.426 0 50 CDAA Cc1ccc(CCC(=O)N[C@H]2CCN(C)C(=O)C2)c(C)c1 170606103 NEAQEEMPPNKWOX-HNNXBMFYSA-N 288.391 1.973 0 50 CDAA Cc1c(Cl)c(C(=O)NC[C@@H](C)N2CCCC2)nn1C 573949592 AZRYQHZFKSMSMO-SECBINFHSA-N 284.791 1.596 0 50 CDAA Cc1noc(C)c1[C@@H](C)CC(=O)N1CCO[C@H](C(=O)O)C1 190978388 BNELGAPTJXWBDB-KWQFWETISA-N 296.323 1.097 0 50 CDAA C[C@@H](NC(=O)C1(c2cccnc2)CCCC1)C(=O)O 585139562 ZTXCKSGGBCPBSY-SNVBAGLBSA-N 262.309 1.483 0 50 CDAA Cn1cccc1C(=O)NC1CC(O)(C(F)(F)F)C1 585130692 ZFHXVWZXRRUGCU-UHFFFAOYSA-N 262.231 1.211 0 50 CDAA COC1(OC)CCN(C(=O)c2cccc(Cl)c2)C[C@@H]1O 585129895 AVVSBEBKASQJIO-LBPRGKRZSA-N 299.754 1.536 0 50 CDAA CO[C@@H](C)C(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1 191421237 QYZGFRUNCWBMDN-ZJUUUORDSA-N 265.309 1.923 0 50 CDAA CCN(C(=O)Cn1cc(NC(C)=O)cn1)c1ccccc1 575072140 RFEXSEZQWGUVMO-UHFFFAOYSA-N 286.335 1.895 0 50 CDAA Cc1csc2c(=O)n(CC(=O)[C@@H]3CCCOC3)cnc12 192450808 BCOJVMNPNZVXAC-SNVBAGLBSA-N 292.360 1.762 0 50 CDAA CCNC(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 193269966 UUMNGALPQQQMNS-SECBINFHSA-N 267.333 1.045 0 50 CDAA O=C(O)[C@H](c1ccsc1)N1CCC[C@@H](n2ccnn2)C1 566361184 DWXGDQQXYMUVDP-NEPJUHHUSA-N 292.364 1.802 0 50 CDAA Cc1nccnc1N1CCN(c2ncc(Cl)cn2)CC1 685038936 HJUWEAKBFCWPLL-UHFFFAOYSA-N 290.758 1.555 0 50 CDAA OCc1ccnc(N2CCC([C@@H](O)c3ccccc3)CC2)n1 767172278 PUZVIUBXFGEYCH-INIZCTEOSA-N 299.374 1.919 0 50 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1.863 0 50 CDAA CCc1ccccc1OCCN1C[C@H]2CNC[C@]2(CO)C1 1772705226 GAWAPFNLOXJMJS-NVXWUHKLSA-N 290.407 1.142 0 50 CDAA O=C(NCCOCCO)Nc1ccc(Cl)cc1 5715390 GKSBXSPCYQPXQE-UHFFFAOYSA-N 258.705 1.470 0 50 CDAA COc1cc(C)c(C)cc1S(=O)(=O)N[C@@H](C)C(=O)O 11889103 MIIYJXDRHAFGTI-VIFPVBQESA-N 287.337 1.063 0 50 CDAA CCc1ccc(C(=O)NCCN2CCOCC2)cc1 13744406 XFIZUGBJWAHGEU-UHFFFAOYSA-N 262.353 1.311 0 50 CDAA CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16040910 XQHGNKZBVDKZMT-CYBMUJFWSA-N 297.358 1.628 0 50 CDAA CCN1CCC(NC(=O)Cc2cccs2)CC1 16579997 RCPJLQPSTLXXSB-UHFFFAOYSA-N 252.383 1.891 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1ccc(F)cc1)C2O 19324027 AVPBJBGXKZEWCL-UHFFFAOYSA-N 276.355 1.843 0 50 CDAA O=C(NCCOc1cccnc1)c1ccc2c(c1)CCO2 19336200 IYZAXJIRXUQBPI-UHFFFAOYSA-N 284.315 1.825 0 50 CDAA Cc1ncc2c(c1-c1noc([C@H]3CCC(=O)N3)n1)CCNC2 19739986 JHEFXEWHVSHCJI-LLVKDONJSA-N 299.334 1.037 0 50 CDAA CC(C)C[C@H](N)C(=O)OB(c1ccccc1)c1ccccc1 169744624 HEFYWEFHUCZFOZ-KRWDZBQOSA-N 295.191 1.709 0 50 CDAA COC(=O)C[C@H](c1c(O)n2ccccc2nc1=O)C(C)C 205973556 JERRXHOVDLDLJM-JTQLQIEISA-N 290.319 1.703 0 50 CDAA CSCC[C@H](CO)NC(=O)c1cc(CC(C)C)n[nH]1 155004740 XAVIHKVMWMXONO-SNVBAGLBSA-N 285.413 1.452 0 50 CDAA CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1 1562175 OWGNKUKYZPVEFS-UHFFFAOYSA-N 276.292 1.522 0 50 CDAA in-vitro CCOc1cc(N2CC[C@@H](Oc3cccnc3)C2)ncn1 521393973 JIHHXAZRIQWOKR-CYBMUJFWSA-N 286.335 1.928 0 50 CDAA CCN1C[C@H](c2nc(Cc3cccnc3)no2)CC1=O 328825345 HJCAZUDPQLNJAN-LLVKDONJSA-N 272.308 1.391 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2coc(C)c2)C1 644120588 GMFKWGLJBBMFJL-NEPJUHHUSA-N 275.308 1.913 0 50 CDAA CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCOCC1 11636988 NAZZOCYUQWEGDJ-CQSZACIVSA-N 279.336 1.711 0 50 CDAA Cc1cc(C(=O)NCC[S@@](=O)C(F)(F)F)ns1 585131172 NQKKJJCHOAGDRW-QGZVFWFLSA-N 286.300 1.450 0 50 CDAA COCCNCCOCCOc1ccc(C)cc1 5042794 LDAHEWXEMWTZOO-UHFFFAOYSA-N 253.342 1.626 0 50 CDAA Cc1cc(C)c(Cn2cc(S(C)(=O)=O)cn2)c(C)n1 901605474 ACGCJWNIJDGQLS-UHFFFAOYSA-N 279.365 1.655 0 50 CDAA CNC(=O)c1ccccc1OCc1noc2c1COCC2 902698260 QYYXHKOGQVLCFE-UHFFFAOYSA-N 288.303 1.686 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(C(=O)c3ccc4n[nH]cc4c3)CC[C@H]21 905007175 WRYZTSRWOLHIDM-NTZNESFSSA-N 285.303 1.356 0 50 CDAA COc1cc(CO)ccc1C(=O)N1Cc2cncnc2C1 908612052 KPZFEIVNFQIAAL-UHFFFAOYSA-N 285.303 1.134 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)C1CCSCC1 923201630 PQLOGCVHLJYZGO-YTWAJWBKSA-N 269.366 1.355 0 50 CDAA CCOc1cccc(NC(=O)c2cn(CC)nn2)c1 953019737 STIANJZWKZZGTM-UHFFFAOYSA-N 260.297 1.949 0 50 CDAA O=S1(=O)CCC(N[C@H]2C[C@@H]3CSC[C@@H]3C2)CC1 1875292735 REEVAZVWXZIFAF-IAZYJMLFSA-N 275.439 1.295 0 50 CDAA O[C@@H](c1nc(-c2cnn3ccccc23)no1)C1CC1 1875285884 DTGHMFDGRFMJLR-LLVKDONJSA-N 256.265 1.828 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)[C@@]2(C)CCCNC2)cn1 1875339413 IWLGRYCPXGMYAQ-HNNXBMFYSA-N 290.367 1.393 0 50 CDAA CCC1(O)CN(C(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)C1 1875300245 TXUAANPSGIGJJQ-VHSXEESVSA-N 293.367 1.039 0 50 CDAA CC1CCN(S(=O)(=O)N(C)CC2(O)CCCC2)CC1 127430942 DOMYQQBOAZOLNP-UHFFFAOYSA-N 290.429 1.200 0 50 CDAA O[C@@H]1CN[C@@H](c2nc(COc3ccc(F)cc3)no2)C1 886043296 JVJVGWDRZYYAPY-GXSJLCMTSA-N 279.271 1.183 0 50 CDAA O=C(O)c1ccc(Br)cc1N1CCOCC1 36670461 FYELNCRQYNFNFO-UHFFFAOYSA-N 286.125 1.984 0 50 CDAA in-vitro CC[C@@H](CCO)NCc1c(OCOC)ccc2c1OCO2 1775991776 MKSDVGBHHOESGK-NSHDSACASA-N 297.351 1.649 0 50 CDAA C=CC(=O)N1CCCC[C@H]1c1n[nH]cc1C(=O)N(C)C 1776005037 YPCIXUACHQGCAA-NSHDSACASA-N 276.340 1.351 0 50 CDAA C[C@@]1(C(=O)NCc2ccc(C(=O)O)o2)CCCOC1 263530339 MCNBMYJXNNXBBQ-CYBMUJFWSA-N 267.281 1.411 0 50 CDAA COc1cc(N2CCC[C@](O)(C(F)(F)F)CC2)ncn1 286350920 LKLBMMBGWKQMTR-LLVKDONJSA-N 291.273 1.769 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)CC1CCCC1 566412019 PVXSTWNKVDCPEA-PWSUYJOCSA-N 260.403 1.318 0 50 CDAA CCOc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)cc1 189181315 CQYWCLAHCLLHOH-NEPJUHHUSA-N 299.392 1.334 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)CN1CCCOCc1ccccc1 310014025 MLVRZVQTCPZGAN-KGLIPLIRSA-N 279.336 1.113 0 50 CDAA Cc1c(N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cnn1C 408069693 FSGZVSDHSNVJGB-GHMZBOCLSA-N 271.386 1.496 0 50 CDAA Cc1cnn(C)c1CN1CCC[C@@H](C)[C@H]1C(=O)O 424410783 IXQQWHSKPAUZGI-SKDRFNHKSA-N 251.330 1.414 0 50 CDAA CC(C)c1nc(C(=O)N[C@H]2CCOC[C@@H]2O)cs1 629230564 DIFXTMNOHXNTPF-WPRPVWTQSA-N 270.354 1.146 0 50 CDAA C[C@@H]1C[C@H]2CCCC[C@H]2N1CCN1CCOCC1 340884957 LLBNVFZMNNUFBF-RBSFLKMASA-N 252.402 1.972 0 50 CDAA COc1nccnc1N[C@@H]1CCN(C(C)(C)C)C1 686303996 KHNMSJGSFQNPMX-SNVBAGLBSA-N 250.346 1.770 0 50 CDAA CNC(=O)CN1CCC(N[C@H]2C[C@H]3CC[C@H](C3)C2)CC1 710984669 IVNMCYGCOVIRBL-AGGWBTHJSA-N 279.428 1.365 0 50 CDAA COc1ccc(OC)c(CN[C@@H](C)C(C)(C)O)c1 393969605 YYYAAKRBNYLEEV-JTQLQIEISA-N 253.342 1.953 0 50 CDAA CCOC(=O)c1ccc(N[C@H]2C=CS(=O)(=O)C2)cc1 1071813 LLLSDWAECHMAMG-LBPRGKRZSA-N 281.333 1.586 0 50 CDAA O=C(N[C@@H](c1ccccc1)c1nn[nH]n1)[C@H]1CC1(F)F 2325750499 BLXOKRLSFZGZIN-BDAKNGLRSA-N 279.250 1.061 0 50 CDAA NCCc1cnc2c(C(=O)NCC3CCCC3)cnn2c1 2325765981 YQVUTRGJOLXGBR-UHFFFAOYSA-N 287.367 1.151 0 50 CDAA NC(=O)[C@@H]1CN(c2cc(Cl)c(C(F)F)cn2)CCO1 2325792911 UTXVSXWVAXZNGV-QMMMGPOBSA-N 291.685 1.363 0 50 CDAA O=C(NCc1cncc2c1CCC2)C(F)(F)[C@H]1CCNC1 2325799292 GVNONTASBUIDKJ-LBPRGKRZSA-N 295.333 1.431 0 50 CDAA O=C(Nc1ccc(Br)c2c1CCO2)[C@H]1CCN1 2325806760 FFWHVJQAURBPNA-SNVBAGLBSA-N 297.152 1.684 0 50 CDAA O=C([C@H]1CCn2cnnc2C1)N1CC[C@H]2CC[C@H]1C2 2325808228 HIBFWMUXQKVVQH-WOPDTQHZSA-N 260.341 1.242 0 50 CDAA Oc1nnc([C@@H]2CCCN(c3nccs3)C2)o1 893666171 QWBRCXATNONGAQ-SSDOTTSWSA-N 252.299 1.616 0 50 CDAA CCN1C[C@H](NC(=O)c2cccn3nccc23)C(C)(C)C1 974766109 KDSVAGQMROGLGC-AWEZNQCLSA-N 286.379 1.794 0 50 CDAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)O)cc1 33305 IPRANFCJNCZNRN-JTQLQIEISA-N 283.349 1.948 0 50 CDAA CNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 972157 BGCKECAVHNASBA-UHFFFAOYSA-N 290.772 1.160 0 50 CDAA Cc1cc2c(cc1N)N[C@]1(O)c3ccccc3C(=O)[C@@]1(O)N2 457772 WBQVAYIIQIIEJF-HOTGVXAUSA-N 297.314 1.145 0 50 CDAA Nc1nncn1C(=O)c1ccc(Cl)cc1Cl 461945 IJJXSBGFULLGFW-UHFFFAOYSA-N 257.080 1.856 0 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CCC[C@H]1CN(C(=O)CCCn2cccn2)C[C@@H]1N 91915365 SNFGXRZRBNBULL-STQMWFEESA-N 264.373 1.249 0 50 CDAA NC(=O)C1(NC(=O)c2cccc(-c3cn[nH]c3)c2)CCCC1 97480444 MNDJBLAGLJGMIX-UHFFFAOYSA-N 298.346 1.605 0 50 CDAA COCCN(Cc1cccc(OC)c1)C(=O)[C@@H]1CCOC1 97528847 PSLMZFJTNVVHRC-CQSZACIVSA-N 293.363 1.707 0 50 CDAA NC[C@H]1CCCCN1Cc1cc(=O)c2cccc(F)c2[nH]1 91657019 MLCGDEPDARVJBU-GFCCVEGCSA-N 289.354 1.980 0 50 CDAA O=C(CN1CCCC1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244748548 OJNMGMPPAIJFRA-XEZPLFJOSA-N 289.379 1.106 0 50 CDAA C[C@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@H](C)N1 179151450 FWGNGZADWNGSEE-UWVGGRQHSA-N 284.306 1.552 0 50 CDAA CN(Cc1nnc(O)o1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 622115112 IFNZJDJMWKLHSV-KXUCPTDWSA-N 263.297 1.336 0 50 CDAA Cc1ccc2nc(CN3CCOC[C@H]3CO)cc(O)c2c1 253537059 WDVHYISQGBBWNZ-CYBMUJFWSA-N 288.347 1.442 0 50 CDAA CC(C)[C@@H](CNC(=O)CCc1ccno1)N(C)C 534591345 HOSOWOGAUXDNPW-GFCCVEGCSA-N 253.346 1.310 0 50 CDAA CN(C)c1cncc(-c2cccc(C(=O)NCCF)c2)n1 534649400 KQQAIAUMEOELNK-UHFFFAOYSA-N 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WABHAGZPSHQHLA-MFKMUULPSA-N 251.330 1.455 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)CCCOc1cccnc1 169826663 CRWOIFWVURCSHZ-GFCCVEGCSA-N 278.308 1.316 0 50 CDAA Cc1cc(C)c2c(c1)N(C(=O)c1ccc(=O)[nH]n1)CCC2 169976359 KPZVUYQYQYRGTP-UHFFFAOYSA-N 283.331 1.980 0 50 CDAA COC(=O)[C@H](N[C@@H](C)CCc1ccccc1F)[C@@H](C)O 170606956 BETXALPWKNZPRB-MISXGVKJSA-N 283.343 1.659 0 50 CDAA CCCN1CCCN(C(=O)NCC2(C3CC3)CC2)CC1=O 170606491 MLQZUKNTCLGBSU-UHFFFAOYSA-N 293.411 1.831 0 50 CDAA NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cccc(C2CC2)n1 576956372 BLAJMKHFJSWXFC-ZJUUUORDSA-N 259.309 1.409 0 50 CDAA O=C(Cc1cccnc1Br)NC[C@@H]1CCCO1 585079656 NBWQFYFBHWIYPM-JTQLQIEISA-N 299.168 1.682 0 50 CDAA Cc1cnccc1CCN[C@@H](C)Cc1cnccn1 585116544 AHEROMDJEJGYDX-ZDUSSCGKSA-N 256.353 1.943 0 50 CDAA C=CC(=O)N1CC[C@](NC(C)=O)(c2nc(C)cs2)C1 585124780 RRAGYZSIXBYJGW-CYBMUJFWSA-N 279.365 1.201 0 50 CDAA CCc1ccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)nc1 214952972 ANGMKZRSHKFSPQ-HOTGVXAUSA-N 275.396 1.285 0 50 CDAA CCc1nn(C)c(NC(=O)[C@@H]2CCN(CCOC)C2)c1C 1506407971 LSVHKBQTPTXJGE-GFCCVEGCSA-N 294.399 1.198 0 50 CDAA C[C@@H](CN(C)c1cc(Br)ccn1)c1nn[nH]n1 1857533011 RLMOHMTYZGEYPN-ZETCQYMHSA-N 297.160 1.597 0 50 CDAA CCn1ncc(CN(C)C[C@H](O)C2CCNCC2)c1C 1857676400 RYKZBQLLCZUKIZ-HNNXBMFYSA-N 280.416 1.004 0 50 CDAA N=c1[nH]c(CCCn2cnc3cc[nH]c3c2=O)cs1 1857713455 KAMAHXMLCIALGU-UHFFFAOYSA-N 275.337 1.226 0 50 CDAA Oc1ccc(CCN2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1 1704338719 YFIZXMDHARSNQQ-CRAIPNDOSA-N 298.386 1.865 0 50 CDAA O=C(O)C[C@@H](NC(=O)Cc1ccccc1)C(F)(F)F 3121677 DABUJMJYMRAKLO-SECBINFHSA-N 275.226 1.751 0 50 CDAA CCS(=O)(=O)c1ccc(N2CC[C@H](C)[C@@H](O)C2)cc1 228025480 IZRSLZQRORUENT-FZMZJTMJSA-N 283.393 1.687 0 50 CDAA CC(C)CCn1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)nn1 153274447 IOWMBPRHGAHSFH-RYUDHWBXSA-N 279.388 1.147 0 50 CDAA COc1ccc(-c2cncc3nc(=N)[nH]n23)cc1F 498050528 LEKVFBORLQAOKM-UHFFFAOYSA-N 259.244 1.352 0 50 CDAA COCc1nnc(NCCN2CCCCCC2)o1 1772709712 LQXWPWLPVWHGEM-UHFFFAOYSA-N 254.334 1.504 0 50 CDAA COc1nc(N[C@H](c2nccn2C)C2CC2)ncc1F 1772707700 XPWSWJRKSBJGBQ-JTQLQIEISA-N 277.303 1.921 0 50 CDAA CCc1cc(CN(CC(=O)O)Cc2[nH]cnc2C)on1 1772703230 CPYYDWDNNSWNJD-UHFFFAOYSA-N 278.312 1.355 0 50 CDAA Cc1nc(CN2CC(=O)N[C@@H]3CCCC[C@H]32)oc1C 246772898 WPUZOOJZSOQSCH-VXGBXAGGSA-N 263.341 1.534 0 50 CDAA CCC(C)(C)NS(=O)(=O)c1ccc2c(c1)OCCO2 5120660 JVXGABXVRKRZGQ-UHFFFAOYSA-N 285.365 1.925 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NCCCO)cc1C 11691607 OONSTPOUKOGEBF-UHFFFAOYSA-N 257.355 1.273 0 50 CDAA C[C@@H](Oc1ccccc1)C(=O)NC1CCN(C)CC1 12380622 FAVDGRBVFPVLKR-GFCCVEGCSA-N 262.353 1.664 0 50 CDAA Cc1ccc(CNC(=O)c2ccc(-n3cnnn3)cc2)cc1 12895002 LYZGJRCHOGXKCI-UHFFFAOYSA-N 293.330 1.901 0 50 CDAA CCOc1cccc(C(=O)NCCCN2CCOCC2)c1 19774411 SUFDBCKOVUTJCN-UHFFFAOYSA-N 292.379 1.537 0 50 CDAA O=C(NCCNC(=O)C(F)(F)F)c1ccccc1F 169831701 HXGAFEQQKFMICB-UHFFFAOYSA-N 278.205 1.234 0 50 CDAA Fc1cnc(N[C@@H]2C[C@H]3CO[C@H](C4CC4)CN3C2)nc1 1857725920 SXQOBCSZEICVCH-AGIUHOORSA-N 278.331 1.279 0 50 CDAA CN(C)c1ncccc1-c1cc(N2CCC(O)CC2)ncn1 1875244143 AGRSMSOUKBLZBB-UHFFFAOYSA-N 299.378 1.566 0 50 CDAA O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 222427391 XKEZKORDMGWVRH-XDQVBPFNSA-N 286.331 1.611 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCOc3ccccc3C2)cn1 316898152 RYDMNSMPIZZQSF-UHFFFAOYSA-N 298.298 1.815 0 50 CDAA Cc1ccccc1-n1ncc(C(=O)N2CCCNCC2)c1C 237736438 ZDSFQGKGYTVLGW-UHFFFAOYSA-N 298.390 1.925 0 50 CDAA C[C@@H]1[C@H](O)CCCN1C(=O)c1cc2cccnc2[nH]1 334728131 PBGILDCHFIAHRT-BXKDBHETSA-N 259.309 1.548 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(C)cc23)C1 133971313 FKLLKKCFKKYQFU-LLVKDONJSA-N 272.352 1.695 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1nnc(C2CC2)n1C1CC1 372602422 QKIUGBCHMLGXIP-JQWIXIFHSA-N 280.347 1.395 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)O1 374541751 PXUAKRHBCQVUBA-JHJVBQTASA-N 292.383 1.858 0 50 CDAA C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)c1nccs1 583615018 SBVSPZSEWFVTEU-RKDXNWHRSA-N 292.364 1.861 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585088499 LZIVLDJQNCVZJL-QCQGSNGOSA-N 294.395 1.306 0 50 CDAA CC[C@H](Sc1ccccc1)C(=O)NN1CC(=O)NC1=O 266616680 SFTZZAGYAFIWMK-JTQLQIEISA-N 293.348 1.140 0 50 CDAA CCc1nc(C)c(CC(=O)NCc2ccns2)c(C)n1 912777696 XWTZSDUJPWHQTP-UHFFFAOYSA-N 290.392 1.971 0 50 CDAA O=C(Cc1ccc2n[nH]cc2c1)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12 923194134 LKSKEYUCIGRIGM-CZXHOFHRSA-N 299.330 1.331 0 50 CDAA CCN(CCCN[C@H]1C[C@H]2C=C[C@@H]1CC2)S(C)(=O)=O 924727117 SPICMGGNFHRQJP-MJBXVCDLSA-N 286.441 1.602 0 50 CDAA CC(C)Cc1ccc(C(=O)N2CCCNC(=O)C2)s1 931591873 GVWWPYADUKMYMG-UHFFFAOYSA-N 280.393 1.909 0 50 CDAA Cn1nc(C2CC2)cc1NC(=O)c1ccc2c(c1)nnn2C 1129098798 HHMYVMCJXRVMQU-UHFFFAOYSA-N 296.334 1.832 0 50 CDAA O=C(C[C@@H]1CCC(=O)N1)Nc1ccc2c(=O)[nH]ccc2c1 855454328 ZTGLDSIKFFJOJU-NSHDSACASA-N 285.303 1.135 0 50 CDAA CN(Cc1nnc(C(=O)O)s1)C(=O)OC(C)(C)C 1857784130 BZKIXKSFQUNFEY-UHFFFAOYSA-N 273.314 1.603 0 50 CDAA Cc1[nH]nc2c1CC[C@@H](NC(=O)N1CCCCC1)C2 1875304401 JLTJOZGBDMCRQB-LLVKDONJSA-N 262.357 1.771 0 50 CDAA OCc1cc(N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)ccn1 1875399506 YEYLZSUBAXARTF-NILFDRSVSA-N 288.351 1.022 0 50 CDAA O=C(CC1CC1)N1CCC(O)(C2(C(=O)O)CC2)CC1 1875321138 VVDRXPVAUCKYNN-UHFFFAOYSA-N 267.325 1.005 0 50 CDAA CCCNC[C@@H](O)C(=O)N(C)Cc1ccc(F)cc1C 1875320433 CWYSTIYXFVTXHY-CQSZACIVSA-N 282.359 1.453 0 50 CDAA CC(=O)N1C[C@@H](NCc2cc[nH]n2)CC[C@H]1C(F)(F)F 886035008 MTOWOYXVJCHPHW-QWRGUYRKSA-N 290.289 1.441 0 50 CDAA O=C1CCCc2cc(C(=O)N[C@H]3C[C@H](CO)C3)ccc2N1 886897260 MWZGSHVJMSCHQJ-MJHDQNEOSA-N 288.347 1.462 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)Oc2ccccc2)C1 1775997225 YHOMAVQGTLKMFI-GHMZBOCLSA-N 283.349 1.863 0 50 CDAA CN(C)C(=O)NCc1cn(-c2cccc(Cl)c2F)nn1 899733719 YWYLAVCUFOOWTA-UHFFFAOYSA-N 297.721 1.831 0 50 CDAA CC(C)C[C@H](CNC(=O)[C@]1(C)CC1(F)F)C(=O)O 263283560 XRONKJRQEPJDPW-KCJUWKMLSA-N 263.284 1.895 0 50 CDAA Cc1cccnc1CCNC(=O)N1CCC[C@@H](O)C1 297571973 QOHUHZGQKFMHDS-GFCCVEGCSA-N 263.341 1.099 0 50 CDAA C[C@H](C(=O)O)N1CC[C@H](COCc2ccccc2)C1 328595948 LGMCYYGASKLTOW-OCCSQVGLSA-N 263.337 1.998 0 50 CDAA C[C@@](O)(CN1CCC[C@H](N2CCOCC2)C1)C(F)(F)F 328596634 KAJZECMYUGMZBW-NWDGAFQWSA-N 296.333 1.096 0 50 CDAA CCc1ccccc1S(=O)(=O)N(CC)[C@@H](C)C(=O)O 899564854 QVDQRQXXXTUJJC-JTQLQIEISA-N 285.365 1.733 0 50 CDAA C[C@H]1CN(C(=O)c2scc3c2OCCO3)C[C@H](C)O1 118480 GCIXNPQAGZNIDE-IUCAKERBSA-N 283.349 1.769 0 50 CDAA CCCC12CN(C(C)=O)CC(C)(CN(C(C)=O)C1)C2=O 213687 QFCWJEHMBAMDNC-UHFFFAOYSA-N 280.368 1.073 0 50 CDAA biogenic NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 299796701 NNRDPAMZOBUCSF-CQSZACIVSA-N 261.369 1.554 0 50 CDAA CN(C[C@H]1C[C@@H](O)C1)C1=NC[C@@H](c2ccccc2)N1 2325771453 XEMUZRAFXQPILM-YUTCNCBUSA-N 259.353 1.390 0 50 CDAA Cn1ncc(C(=O)OCc2cccn(C)c2=O)c1C(F)F 2325800399 CWHSBHIHVXFNAX-UHFFFAOYSA-N 297.261 1.413 0 50 CDAA CCc1ccc(O)c(NC(=O)[C@@H](O)[C@H]2CCCCN2)c1 2325801164 ZEOJYUKBTIPNDF-RISCZKNCSA-N 278.352 1.396 0 50 CDAA CC1(C)CC(NC(=O)N[C@@H]2C3C[C@H]4[C@@H](C3)C42CO)C1 2325813120 MYIRXHRYSQXEGP-WMPCMVJFSA-N 264.369 1.491 0 50 CDAA NC[C@]12CC[C@@H]1CCN2C(=O)Nc1nnc2ccccn12 904334519 YIQRDCKANYOIND-QMTHXVAHSA-N 286.339 1.074 0 50 CDAA CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=S 171154 TXUWMXQFNYDOEZ-NSHDSACASA-N 259.334 1.426 0 50 CDAA in-vitro COC(=O)N1N=C(C)C[C@]1(O)c1ccc(OC)cc1 248811 BOZOVJLCUNMJGB-ZDUSSCGKSA-N 264.281 1.688 0 50 CDAA CSCCNC(=O)CS(=O)(=O)c1ccc(C)cc1 1726557 YQFQNMYKUULTNH-UHFFFAOYSA-N 287.406 1.248 0 50 CDAA CC(C)N1C(=O)c2ccccc2N(C)S1(=O)=O 2521498 XFTQFXBQDVWOCY-UHFFFAOYSA-N 254.311 1.232 0 50 CDAA Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)O 2879445 AUSYCHLJCYBSRJ-UHFFFAOYSA-N 287.337 1.145 0 50 CDAA CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1 3154190 RFPLMSBTBCVKHO-UHFFFAOYSA-N 276.336 1.898 0 50 CDAA Cn1nnnc1SCCC(=O)Nc1ccccc1 4434233 LWJQNBMXFUFXJI-UHFFFAOYSA-N 263.326 1.331 0 50 CDAA CCOC(=O)[C@H](C)N1CC(=O)N(c2ccccc2)C1=O 6702386 BQANHNNHSZTIJW-JTQLQIEISA-N 276.292 1.407 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)CCN1CCCCCCC1 55211764 HDYRJOYNSKDNCM-ZDUSSCGKSA-N 282.384 1.718 0 50 CDAA CC(C)C[C@@H](CN(C)CC(N)=O)NC(=O)OC(C)(C)C 225419703 IDENSULCWROTLT-NSHDSACASA-N 287.404 1.343 0 50 CDAA Cc1ccc(CS(=O)(=O)NCCCN2CCCC2)cc1 10539156 XJTNARCKYYKHKD-UHFFFAOYSA-N 296.436 1.900 0 50 CDAA CN1C[C@H](c2noc([C@@H]3C[C@@H]3c3ccco3)n2)CC1=O 225597262 QWYBWWMUABLVBQ-KXUCPTDWSA-N 273.292 1.879 0 50 CDAA C[C@@H](NC(=O)c1ncn(-c2ccccc2)n1)c1ncc[nH]1 225701544 PNPIQRFJGGSZCA-SNVBAGLBSA-N 282.307 1.481 0 50 CDAA CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O 100722026 JVYLKHNOKRENNE-JTQLQIEISA-N 279.679 1.296 0 50 CDAA O=C(CSc1ccccc1)NCCN1CCOCC1 20530132 LKXFKWFPEBRNNL-UHFFFAOYSA-N 280.393 1.227 0 50 CDAA COc1cccc(OCC(=O)N2C[C@@H](F)C[C@H]2CO)c1 347375431 KNODMUSCFZFVEI-QWRGUYRKSA-N 283.299 1.005 0 50 CDAA Cc1nnc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)s1 101400581 FKCDIDGMESXYLE-XSPKLOCKSA-N 263.322 1.382 0 50 CDAA CC(C)c1noc(CCNC(=O)c2cn3ccccc3n2)n1 20514112 MVLQIADCVDLMEI-UHFFFAOYSA-N 299.334 1.813 0 50 CDAA COc1cc(OC)cc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 219208054 IVEXGDLXUGXBNN-RDBSUJKOSA-N 277.320 1.611 0 50 CDAA C[C@H](Cn1ccnc1)NCc1ccc(-n2cncn2)cc1 67563278 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CCCc1nnc(N2CCC(N3CCC[C@H](O)C3)CC2)o1 95384207 OYVOHQCXEAZSKX-ZDUSSCGKSA-N 294.399 1.448 0 50 CDAA c1ccc2c(c1)ncn2Cc1nc([C@@H]2CCOC2)no1 96136437 ZOJVOCFRCKRRIW-SNVBAGLBSA-N 270.292 1.972 0 50 CDAA Cc1ccc(N2C(=O)C[C@@H](SCCO)C2=O)cc1 95402567 BYBLTCUATNENRQ-LLVKDONJSA-N 265.334 1.352 0 50 CDAA CCn1cnnc1CN(C)c1nc2c(s1)c(C)nn2C 95501331 JDKTXLAORKMOAZ-UHFFFAOYSA-N 291.384 1.586 0 50 CDAA CCN1CCC[C@](C)(C(=O)NCCCc2cnn(C)c2)C1 95352660 BDPJHHPFDNTMQX-INIZCTEOSA-N 292.427 1.591 0 50 CDAA Cc1c[nH]c(CN(C)Cc2ccc(C(=O)N(C)C)o2)n1 244626614 FPGJADKDPGQWBR-UHFFFAOYSA-N 276.340 1.645 0 50 CDAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1nn(C)cc1C(=O)O 248051300 AXZANOICVAFKFQ-WCABBAIRSA-N 279.340 1.673 0 50 CDAA Cc1cc(O)c([C@H](CC(=O)O)c2ccncc2)c(=O)n1C 524729746 HZHSNWOCICNBHB-LLVKDONJSA-N 288.303 1.401 0 50 CDAA biogenic Cn1nc2c(c1NC(=O)[C@@H]1CCCO1)CSC2 604419485 DRAAGKHGINLUFD-VIFPVBQESA-N 253.327 1.284 0 50 CDAA COC[C@@H]1CCCN1C(=O)NCc1cscn1 534574494 KKDUVZBEJQIFDL-JTQLQIEISA-N 255.343 1.464 0 50 CDAA 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293.436 1.924 0 50 CDAA CNC(=O)CCc1ccccc1NC(=O)C1(N)CCCC1 952979421 NUHKFRGYDBSVJW-UHFFFAOYSA-N 289.379 1.575 0 50 CDAA COc1cc(C(=O)N2C[C@@H](O)[C@H](F)C2)nc2ccccc12 952973669 VELHZZCUNGWAEG-ZWNOBZJWSA-N 290.294 1.398 0 50 CDAA O=C(NC[C@H]1CCNC[C@@H]1O)c1sccc1Cl 1565525600 VCGKCLSSSZMNCH-APPZFPTMSA-N 274.773 1.102 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CCOC(=O)N2)C1 95628917 PSJVWIIBVVDMHJ-CYBMUJFWSA-N 270.329 1.886 0 50 CDAA in-vitro COc1ccc(CC[C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)O)cc1 268875376 BEOIHKIUZNMLDP-BPNCWPANSA-N 291.347 1.853 0 50 CDAA CS(=O)(=O)CCC(=O)N1CC(C2CCCCC2)C1 408462500 DLNXIGIKLKRKOR-UHFFFAOYSA-N 273.398 1.460 0 50 CDAA Cc1nsc(N2CCCC[C@@H]2CS(C)(=O)=O)n1 408519605 CYLFTBUKTBTLSC-SECBINFHSA-N 275.399 1.250 0 50 CDAA C[C@@H]1CCCN1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 185188220 AEWWYAMJYCXWIF-MRVPVSSYSA-N 297.336 1.262 0 50 CDAA C[C@H]1CC[C@H](C(=O)N2CCC3(CC2)CNC(=O)C3)CC1 244734416 NFBZFHMVTQUWRX-JOCQHMNTSA-N 278.396 1.941 0 50 CDAA 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CC(C)C[C@@H](O)C(=O)N(C)CCN(C)C1CCCC1 1506411073 ZFICZDLBOUFZDT-CQSZACIVSA-N 270.417 1.726 0 50 CDAA COc1cc(C)ccc1OCCN1C[C@@H](O)[C@H](F)C1 1506415099 KHIQYGVRXSBIAR-VXGBXAGGSA-N 269.316 1.397 0 50 CDAA O=C(C1CCCCCC1)N(CCO)Cc1ncc[nH]1 1704334335 HVEQITFKNMMTCL-UHFFFAOYSA-N 265.357 1.701 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(c1cncc(C(=O)O)n1)C2 1704311719 RRSRJEDTFIRDFZ-DOMZBBRYSA-N 291.351 1.960 0 50 CDAA CN(Cc1nc(-c2ccccn2)no1)c1n[nH]c(=N)s1 1857673272 RBWTXQKCSYHNPB-UHFFFAOYSA-N 289.324 1.032 0 50 CDAA CCN(CC)C(=O)[C@@H]1CCCN(c2n[nH]c(=N)s2)C1 1857674152 UGXKYLWAKGXILD-SECBINFHSA-N 283.401 1.035 0 50 CDAA CCc1nc(CN(C)c2nc(C)nc3cc[nH]c23)no1 1857685329 ICHWGCDXMGJYQX-UHFFFAOYSA-N 272.312 1.848 0 50 CDAA CCn1nc(C)c(C(=O)NC(C)(C)C2CCC2)n1 836849545 KCYADTPXGQAQHO-UHFFFAOYSA-N 250.346 1.915 0 50 CDAA NC[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1F 131725583 VFOISPKOAQCCFB-MRVPVSSYSA-N 292.763 1.591 0 50 CDAA Cc1nnc(CNC(=O)c2nccc3ccn(C)c23)s1 1875308266 XBGQCQLGPFVDJU-UHFFFAOYSA-N 287.348 1.663 0 50 CDAA CC(C)C[C@H](CNC(=O)[C@H]1CC[C@H](C)O1)C(=O)O 157964888 XUBJTXVMLNVVER-HBNTYKKESA-N 257.330 1.417 0 50 CDAA CC(=O)c1cnc(N(C)CC(C)(C)CO)nc1C 1772700241 AHVJGGPDLRJCCY-UHFFFAOYSA-N 251.330 1.442 0 50 CDAA CN1CCOC2(CCN(c3nccs3)CC2)C1 1772815567 VUNYMKHBRLDQSL-UHFFFAOYSA-N 253.371 1.444 0 50 CDAA O=C(O)c1ccc(N2CCCCS2(=O)=O)cc1 5027237 OVJPSCBTLLBKAU-UHFFFAOYSA-N 255.295 1.315 0 50 CDAA COc1cccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 5729939 NTXXWKAREKTDBY-MGPQQGTHSA-N 295.379 1.544 0 50 CDAA CC(C)C[C@@H](NC(=S)NC1CCCCC1)C(N)=O 12382113 KPSFAAJLUCGZOJ-LLVKDONJSA-N 271.430 1.683 0 50 CDAA O=C(CN1CCOCC1)Nc1ccc(Cl)cc1 19204041 UBHDARDJLDXEGF-UHFFFAOYSA-N 254.717 1.611 0 50 CDAA O=C(CC1(C(F)(F)F)NCCN1)c1cccs1 19325763 UACNDTZWUWZSED-UHFFFAOYSA-N 264.272 1.772 0 50 CDAA CC[C@H](NC(=O)CN1CCCC1=O)c1ccncc1 158596678 OTRPNABMZLCHMK-LBPRGKRZSA-N 261.325 1.271 0 50 CDAA Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)n(C)n1 1857677273 UNIBKIVISUOHMR-XQQFMLRXSA-N 297.424 1.833 0 50 CDAA 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275.326 1.474 0 50 CDAA CC(C)c1scnc1NC(=O)C[C@@H]1CC(=O)NC1=O 936020930 ITIWLNNNCCHIMV-SSDOTTSWSA-N 281.337 1.258 0 50 CDAA COC(=O)c1c(NS(C)(=O)=O)c2ccccc2n1C 1875289320 HTNCPOSEPAJAAX-UHFFFAOYSA-N 282.321 1.336 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cncnc1C1CC1 1875277614 ULVXQXOFWBCIGW-FOGDFJRCSA-N 287.319 1.432 0 50 CDAA C[C@@H]1NC(=O)[C@H](C[C@H]2CCCc3ccccc32)NC1=O 1875278809 IPRPQSUWYJQFLN-SUHUHFCYSA-N 272.348 1.500 0 50 CDAA COc1ccc2nc(C)c(C(=O)NS(C)(=O)=O)cc2c1 1875390609 GDGPXNHISBMSBP-UHFFFAOYSA-N 294.332 1.241 0 50 CDAA Cc1ccc([C@H]2C[C@@H]2C(=O)NS(C)(=O)=O)cc1C 1875390938 FRHQRZBDJBKPSG-NEPJUHHUSA-N 267.350 1.483 0 50 CDAA C=CC(=O)N(C)CC(=O)NC[C@@H]1Oc2ccccc2[C@@H]1C 1875367586 SGJHURPKUHNXPJ-FZMZJTMJSA-N 288.347 1.312 0 50 CDAA CCc1nn(C)cc1S(=O)(=O)NC(=O)c1ccsc1 1875323869 BYECDUVDYHKNPC-UHFFFAOYSA-N 299.377 1.163 0 50 CDAA CO[C@]1(c2nnc(-c3c(C)ccn3C)o2)CCOC1 886085539 JOGHAWAAJXCJBY-CYBMUJFWSA-N 263.297 1.646 0 50 CDAA O=C(N[C@H]1C[C@H](CO)C1)c1onc2c1CCCC2 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1.514 0 50 CDAA CCn1cnnc1[C@H](C)Nc1cc(C)nc(N(C)C)n1 32547834 DFESDCMFPOXLFP-JTQLQIEISA-N 275.360 1.636 0 50 CDAA COC(=O)CN1CCC[C@H]1c1nc(C(C)C)no1 77471786 COUVNFKSZDXOEA-VIFPVBQESA-N 253.302 1.503 0 50 CDAA O=C(Cc1ccc2c[nH]nc2c1)N1[C@H]2COC[C@H]1C2 333480800 PGYDKEDIIFBWNA-VXGBXAGGSA-N 257.293 1.105 0 50 CDAA CNCC(=O)N1CCC[C@H]1Cc1cccc(F)c1 237190832 PMKXMFUOHTVHBL-ZDUSSCGKSA-N 250.317 1.579 0 50 CDAA O=C(NCCC[C@H]1CCOC1)c1c[nH]c(=O)c(Cl)c1 219653005 LYHAAWBUTPFGEK-VIFPVBQESA-N 284.743 1.575 0 50 CDAA O=C(O)[C@@H]1COc2cc(Br)ccc2O1 238629692 NDDKYTHPPVTRJD-QMMMGPOBSA-N 259.055 1.674 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)C3(N)CCCC3)C2)no1 237771622 CEINHVMSKGTMQI-LBPRGKRZSA-N 292.383 1.431 0 50 CDAA CCCc1cc(C(=O)N(C)CCN2CCCCC2=O)no1 77353551 CINSZBUXAYLXQE-UHFFFAOYSA-N 293.367 1.712 0 50 CDAA CC(C)S(=O)(=O)c1ccc(N2CCN(C)CC2)cc1N 86016349 GOGPLCBXOCIPFE-UHFFFAOYSA-N 297.424 1.203 0 50 CDAA C[C@@H]1C[C@@H](NC(=O)[C@H]2COCCO2)CN1c1ccccc1 241316973 LWOHIIFSJIPRMZ-UMVBOHGHSA-N 290.363 1.185 0 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252.358 1.788 0 50 CDAA Cc1ccc(C(=O)O)c(N(C)C[C@@H](C)N2CCOCC2)n1 1506415062 JZJCLQLSFPLVIN-GFCCVEGCSA-N 293.367 1.245 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)CCc1ccc(O)cc1 219707733 FVSQNNKYLSBXIH-ZIAGYGMSSA-N 279.336 1.245 0 50 CDAA C[C@H]1CN(C2CC2)CCN1C(=O)c1ccc2nn[nH]c2c1 1457872590 HIVVZAQVZDXDPA-JTQLQIEISA-N 285.351 1.267 0 50 CDAA CCOC1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)CC1 111472937 XSEPGYBABKQHDB-VXGBXAGGSA-N 283.368 1.905 0 50 CDAA Cc1ccccc1OC1CN(C[C@@H]2CCC(=O)N(C)C2)C1 1800413103 AVLSPFFGRSMDEZ-CQSZACIVSA-N 288.391 1.926 0 50 CDAA CCS(=O)(=O)Cc1noc([C@H]2CCC[C@H]2C)n1 408223926 FTUSWUXXYZAMRH-BDAKNGLRSA-N 258.343 1.908 0 50 CDAA CCCCN(CCCC)C(=O)c1cnc(C(N)=O)cn1 1772708386 AVAIGBBBDYWVNK-UHFFFAOYSA-N 278.356 1.618 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@H]2C2(O)CC2)nc(N)n1 1772818211 AHDRMVJBEPIHPW-LBPRGKRZSA-N 290.367 1.312 0 50 CDAA c1ccc2c(c1)COCc1nnc(Cn3ccnc3)n1-2 1772816326 NPRWFIJDNOMZRL-UHFFFAOYSA-N 267.292 1.542 0 50 CDAA Cc1ncc(CN2C[C@@H](CO)OC(C)(C)C2)s1 163814579 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CC(=O)N1CC[C@@H](N[C@H](C)c2c(C)noc2C)C1 926736688 IHEAACHZEZSOEP-PRHODGIISA-N 251.330 1.563 0 50 CDAA Cc1oc(C(=O)N2CCC(=O)C[C@@H]2C2CC2)cc1CO 828818837 WITANSAEKLZMEJ-CYBMUJFWSA-N 277.320 1.664 0 50 CDAA C[C@@](O)(C(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccc(F)cc1 936053597 OPJRSHUCAFJXAW-NCFRWKGYSA-N 293.338 1.405 0 50 CDAA Cc1ccoc1CC(=O)N1CC[C@@H](c2n[nH]cc2N)C1 864386021 YYEVVOQCQIHQFA-SNVBAGLBSA-N 274.324 1.452 0 50 CDAA COCc1noc([C@H]2CCc3nnn(CC(C)C)c3C2)n1 952894568 OADRMEFKPHNYIC-JTQLQIEISA-N 291.355 1.736 0 50 CDAA Cc1csc2c(=O)n(CCc3cn[nH]c3)cnc12 32592803 BIPTYKZRQXUHPZ-UHFFFAOYSA-N 260.322 1.732 0 50 CDAA O=C(CCc1cncs1)N1CC[C@H](c2cc[nH]n2)C1 1875286097 LVVBNJVNNGHIHH-JTQLQIEISA-N 276.365 1.815 0 50 CDAA CC(C)c1nn(C)cc1CN(C)C(=O)/C=C/CN(C)C 1875375848 POFWYLLLXKZZLC-BQYQJAHWSA-N 278.400 1.620 0 50 CDAA CC[C@@H](NC(=O)[C@H](O)C(C)(C)N)c1cccc2cc[nH]c12 1875319454 CYJWZWLJHOQCAV-OCCSQVGLSA-N 289.379 1.833 0 50 CDAA Cc1cnn(Cc2ccc3nsnc3c2)c(=O)c1 1875340275 UBDWQDCQYOGMEY-UHFFFAOYSA-N 258.306 1.605 0 50 CDAA O=C(N[C@H]1CCCc2cccnc21)c1cnc2n1CCOC2 885380334 JFJADNAEDGBZPZ-LBPRGKRZSA-N 298.346 1.616 0 50 CDAA COC[C@H]1CN(c2cccc(=O)n2C)CC(C)(C)O1 886031759 SHFWYBZRJYWTDQ-LLVKDONJSA-N 266.341 1.016 0 50 CDAA Cc1cccc(O[C@H](C)C(=O)N2CCN(C)CC2)c1 20482256 DSOBIVPGJSAZET-CYBMUJFWSA-N 262.353 1.536 0 50 CDAA COC[C@@]1(C(=O)Nc2cc(C)cc(F)c2)CCNC1 261591960 MFFYIQPDCYNODU-CQSZACIVSA-N 266.316 1.699 0 50 CDAA COCCNCc1cn(CCC(N)=O)c2ccccc12 55310370 KRSUJEGHKAHDMD-UHFFFAOYSA-N 275.352 1.253 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2ccc(C(F)(F)F)cn2)C1 343322113 QMNADTCUVYTSOW-UWVGGRQHSA-N 276.258 1.686 0 50 CDAA CN(C)[C@H]1CCC[C@@H]1N=c1cnc2ccccc2[nH]1 362676186 ULGGPJQQIRAJDG-KBPBESRZSA-N 256.353 1.946 0 50 CDAA O=C(N[C@@H]1COC2(CCC2)C1)c1ccc(C(=O)O)nc1 711112335 XSRNZLYWRZSFOV-JTQLQIEISA-N 276.292 1.221 0 50 CDAA O=C(O)Cc1cccc(-c2cnc3c(=O)[nH]ccn23)c1 2100537105 IPQGUSMKOHNWNS-UHFFFAOYSA-N 269.260 1.317 0 50 CDAA COc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)cc1 177135 VUGWFHHXRWKZKD-JTQLQIEISA-N 269.304 1.980 0 50 CDAA biogenic CC[C@H](C)Nc1nc(Cl)nc(N2CCOCC2)n1 300342 ZPNRVMFCDLLZTG-QMMMGPOBSA-N 271.752 1.572 0 50 CDAA COC(=O)COc1ccc(Br)cc1C=O 454367 BGCBNZCJIJRUAY-UHFFFAOYSA-N 273.082 1.813 0 50 CDAA COC(=O)COc1ccc(NC(=O)[C@@H]2CCCO2)cc1 1060790 SRJCNSPCPRFDFJ-LBPRGKRZSA-N 279.292 1.356 0 50 CDAA CCCNC1(C(N)=O)CCN(Cc2ccccc2)CC1 1698825 SXXNRWUIGQVITE-UHFFFAOYSA-N 275.396 1.506 0 50 CDAA COCCNc1cnn(-c2ccccc2)c(=O)c1Cl 2870819 KJCGTVYDPBBTON-UHFFFAOYSA-N 279.727 1.944 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CC1CCOCC1)C(=O)O 4284232 NKYZORHKIYSSEL-JTQLQIEISA-N 273.329 1.781 0 50 CDAA Cc1ccc(NC(=S)N[C@H]2CCS(=O)(=O)C2)cc1 4754836 WDRSZRHDEAKKSX-NSHDSACASA-N 284.406 1.469 0 50 CDAA O=C(CCc1ncc[nH]1)Nc1nc2ccccc2[nH]1 225747328 QDJSAPCGPRRZSH-UHFFFAOYSA-N 255.281 1.857 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)F)C1 57218892 LTDRQRZCMHBRKM-SECBINFHSA-N 255.236 1.921 0 50 CDAA CCOC(=O)CN1C(=O)C[C@@H](c2ccccc2)C1=O 100508493 LQPWQTIFRJRHIE-NSHDSACASA-N 261.277 1.092 0 50 CDAA 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1.730 0 50 CDAA in-vitro O=C(C[C@@H]1CCNC1)Nc1ccc2c(=O)[nH]ccc2c1 662636365 QJFYYYWFDUKKQA-JTQLQIEISA-N 271.320 1.466 0 50 CDAA Cn1cc([C@H]2CSCCN2C[C@H](O)C(F)(F)F)cn1 170612057 IQVVCTKBSXQSGJ-ZJUUUORDSA-N 295.330 1.433 0 50 CDAA O=C1CN(CC[C@@H]2CCCO2)CCN1c1cccs1 189984888 WJUXCRVLXOBCMO-LBPRGKRZSA-N 280.393 1.966 0 50 CDAA Cc1csc2ncnc(NC[C@@H]3CN(C)CCO3)c12 665696148 JNSGIPZMPLNEPK-SNVBAGLBSA-N 278.381 1.742 0 50 CDAA Cc1ccc(CN2CC[C@H](NC(=O)c3cn[nH]c3)C2=O)cc1 192293050 PGZDNDJOVLGPTA-AWEZNQCLSA-N 298.346 1.249 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1CNc1ccc2nn[nH]c2c1 667909569 XHXMNGCVIJVVSX-IINYFYTJSA-N 298.350 1.881 0 50 CDAA CCn1cc(OCCCN2C(=O)NC(C)(C)C2=O)cn1 193550496 XYVQOFOFVWOJCF-UHFFFAOYSA-N 280.328 1.002 0 50 CDAA C[C@@H](CC(=O)NCCn1ccnn1)Cc1cccc(F)c1 584908513 YFCBHPVNNHZPOJ-GFCCVEGCSA-N 290.342 1.802 0 50 CDAA Cc1cc2c(cc1NC(=O)[C@H]1CN(C)C[C@H](C)O1)OCO2 585132081 NZEMIWHRMBSUNP-IINYFYTJSA-N 292.335 1.381 0 50 CDAA CSC[C@H](C)C(=O)N1CC(Cc2cnn(C)c2)C1 585131566 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NCCc1nnc2n1CC[C@@H](c1ccccc1)CC2 2356168712 CDYQVBAQTXSABJ-ZDUSSCGKSA-N 256.353 1.899 0 50 CDAA COc1ccc(C(=O)NCCNC(=O)c2ccccn2)cc1 4487380 UJJQDGSLGZZHPE-UHFFFAOYSA-N 299.330 1.250 0 50 CDAA O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 4983057 XDJLYGOCDZDEIK-UHFFFAOYSA-N 291.328 1.967 0 50 CDAA O=C(Nc1ccccn1)c1nnn(-c2ccccn2)c1O 100516107 JDGDNKAFYGBKDN-UHFFFAOYSA-N 282.263 1.015 0 50 CDAA O=C(COc1ccc(Cl)cc1)N1C[C@@H](F)C[C@H]1CO 347437105 LHKQNSHOZKSGEK-QWRGUYRKSA-N 287.718 1.650 0 50 CDAA COC(=O)c1cccc(NC(=O)NCC2(N)CCC2)c1 414870704 CPMURZJPZLOCNU-UHFFFAOYSA-N 277.324 1.476 0 50 CDAA O=C(CCC1CCCCC1)N1CCN(CCO)CC1 20653238 GFLHEADEHKBSLZ-UHFFFAOYSA-N 268.401 1.483 0 50 CDAA CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CCCC(=O)O)C1 116374785 NYFNHCDMIIZAFO-CHWSQXEVSA-N 284.400 1.868 0 50 CDAA C[C@@H]1CN(c2ccc3nnc(-c4ccccc4)n3n2)C[C@H]1N 420288175 XZUWYEFJGQHRBJ-DGCLKSJQSA-N 294.362 1.575 0 50 CDAA C[C@H](Cn1cncn1)NCc1n[nH]c2c1CCCCC2 67878580 ONTQMMPMPKGDGX-LLVKDONJSA-N 274.372 1.448 0 50 CDAA CN[C@H]1CCCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)C1 134171595 BELXTNSSNJNKID-MLRMMBSGSA-N 296.802 1.606 0 50 CDAA COc1ccccc1CCNC(=O)CNCc1ccoc1 65398800 WIGIKEBSJAXCGL-UHFFFAOYSA-N 288.347 1.737 0 50 CDAA C[C@@H]1C[C@@H](N(C)C(=O)CC2(N)CCC2)CCN1C 237564390 UMRJJWCVDVAISO-NEPJUHHUSA-N 253.390 1.199 0 50 CDAA COCc1noc([C@H]2CC(=O)N(c3cccc(F)c3)C2)n1 20539907 KHAXGUYXLLSLNZ-VIFPVBQESA-N 291.282 1.876 0 50 CDAA CCn1c([C@@H]2CCCNC2)nn(CCSC(C)C)c1=O 67675473 REFMVUBGWLUCRL-GFCCVEGCSA-N 298.456 1.673 0 50 CDAA NS(=O)(=O)c1cccnc1Nc1ccc(F)c(F)c1 65183166 YLDDFVIKVYJYQU-UHFFFAOYSA-N 285.275 1.751 0 50 CDAA COCc1noc([C@H](C)N2CC[C@H](C)[C@H](OC)C2)n1 251547545 DXHOJXHSHUACBD-GARJFASQSA-N 269.345 1.634 0 50 CDAA C[C@@H](c1nncn1C)n1cnc2cc(Cl)ccc2c1=O 32565406 MBISDUVJVBYUDO-QMMMGPOBSA-N 289.726 1.788 0 50 CDAA COC(=O)c1ccc(S(=O)(=O)c2ccccc2)c(N)c1 1404087 OTEVRRCPEAELJM-UHFFFAOYSA-N 291.328 1.888 0 50 CDAA COCc1nc(Cn2ccnc2-c2[nH]cnc2C)no1 77286134 BMBBLPBMOHXFRO-UHFFFAOYSA-N 274.284 1.159 0 50 CDAA C=CC(=O)N(Cc1ccccc1)[C@@H]1C=CS(=O)(=O)C1 328596971 BYFPTKQYVCXFTM-CYBMUJFWSA-N 277.345 1.512 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2cc(C)oc2C)n1 328638173 OZWMTYAPRGBAAF-CHWSQXEVSA-N 277.324 1.896 0 50 CDAA O=C(CCc1nccs1)N1CCc2n[nH]cc2C1 328909603 MVVZICPJVZMPDZ-UHFFFAOYSA-N 262.338 1.384 0 50 CDAA C[C@@]1(O)CCN(C(=O)CCN)C[C@@H]1Cc1ccccc1 72129402 FNBMDMAHLINZGW-GOEBONIOSA-N 276.380 1.177 0 50 CDAA CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)cc(O)c1 152784796 ZHJKJLOWSZGKEK-OLZOCXBDSA-N 290.363 1.797 0 50 CDAA COc1ccc(Br)cc1OS(C)(=O)=O 38536916 GNSGHHSZKANUDW-UHFFFAOYSA-N 281.127 1.796 0 50 CDAA in-vitro Cc1n[nH]cc1CN(C)C(=O)COCC(F)(F)C(F)F 219524824 MNFUQUZBJORYJU-UHFFFAOYSA-N 297.252 1.594 0 50 CDAA CCN(CCC(=O)O)C(=O)[C@@H](C)NC(=O)C1CCCC1 262597361 JCZXAGGMPZUHHF-SNVBAGLBSA-N 284.356 1.005 0 50 CDAA Cc1cc(N2C[C@H](C)O[C@H](C)C2)n2nc(C)cc2n1 72454191 OIEPUWGDCQFUMZ-TXEJJXNPSA-N 260.341 1.960 0 50 CDAA O=C(Cc1c(F)cccc1Cl)NC[C@@H]1CCC(=O)N1 74069523 NJJFJXDLDOJYHH-QMMMGPOBSA-N 284.718 1.416 0 50 CDAA COc1ccc(Cn2cnc3nccnc3c2=O)cc1 32540613 VVUWTTVYPZKDKZ-UHFFFAOYSA-N 268.276 1.243 0 50 CDAA CNC[C@@H](C)C(=O)N1CCO[C@H](c2ccccc2C)C1 237176355 WRIAKVFJQYSPJP-HIFRSBDPSA-N 276.380 1.750 0 50 CDAA CN(CC(=O)O)C(=O)C1(c2ccc(F)cc2)CCOCC1 237133355 VYSMOLNOUJLYFE-UHFFFAOYSA-N 295.310 1.417 0 50 CDAA CS(=O)(=O)c1ccc(F)c(Br)c1 75915374 LVCOOUAQCQKOJG-UHFFFAOYSA-N 253.092 1.992 0 50 CDAA CCCc1n[nH]cc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1COC 218977166 NOWLKOBXMQWYSZ-HYKPAMGXSA-N 293.367 1.142 0 50 CDAA Cc1nccn1CC(=O)NC[C@@H]1N(C)CCCC1(C)C 457759581 GRTZYEMHTFQRCM-ZDUSSCGKSA-N 278.400 1.428 0 50 CDAA COc1ccn2c(C(=O)N3CCCc4n[nH]cc43)cnc2c1 517732586 FDGVFDDAAAYJND-UHFFFAOYSA-N 297.318 1.659 0 50 CDAA CC(=O)c1cn(-c2cccc(Cl)c2)c(=O)[nH]c1=O 43190776 JHHGBMTVCJILKW-UHFFFAOYSA-N 264.668 1.382 0 50 CDAA COc1cc(Br)cc2c(=O)nc[nH]c12 221800853 IVHVBVMREUQUCX-UHFFFAOYSA-N 255.071 1.694 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N1CC(c2cccnc2)C1 82135058 DZPXRNASGDYXSW-UHFFFAOYSA-N 298.390 1.991 0 50 CDAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C1CC1)[C@@H](C)C(=O)O 263561376 RVUCNHATVVMBNQ-DLOVCJGASA-N 269.341 1.512 0 50 CDAA COc1ccc2[nH]c(C(=O)N[C@@H](C)c3nncn3C)cc2c1 222277407 JRMQYBZIFNRUCV-VIFPVBQESA-N 299.334 1.796 0 50 CDAA Oc1ccc(-c2cnn(-c3nn[nH]n3)c2)c2ccccc12 426699933 LLUYPUMOGPGOMK-UHFFFAOYSA-N 278.275 1.911 0 50 CDAA CC[C@@H](c1cccnc1)N(C)C(=O)CCC(=O)O 426534409 GEKPRNRQLADPNF-NSHDSACASA-N 250.298 1.856 0 50 CDAA CCc1cc(C(=O)N(C)C[C@@H]2COCCO2)ccn1 221182284 XGRHLMIUKANUDJ-CYBMUJFWSA-N 264.325 1.131 0 50 CDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cc(Cl)c[nH]1)CC2 426733996 JUHXVGNBPWIJBW-VHRBIJSZSA-N 298.770 1.813 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)Nc2nc(C)n(C)n2)C1 48156014 ATNNHSRDKSGZQB-LLVKDONJSA-N 281.360 1.546 0 50 CDAA O[C@@H]1COCC[C@H]1NC1CCN(c2ccc(F)cc2)CC1 222499234 PANZHGBJBGTJMK-HZPDHXFCSA-N 294.370 1.534 0 50 CDAA CC1=C(C(=O)NCc2c(C)noc2C)SC2=NCCN21 220456471 XTDAKVWDZOCMNG-UHFFFAOYSA-N 292.364 1.558 0 50 CDAA Cc1ccc(-c2ccc(CN3C[C@@H](N)[C@H](O)C3)o2)cc1 426684348 BNADNLNYOQHJJT-HUUCEWRRSA-N 272.348 1.759 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)CCC(=O)O)n1 426370918 HUEVVFQLLRXMOJ-SNVBAGLBSA-N 250.298 1.302 0 50 CDAA C[C@@H](NC(=O)N1CC(O)C1)c1ccccc1Cl 426510384 RPPWVFAGARLNBN-MRVPVSSYSA-N 254.717 1.787 0 50 CDAA Cc1nn(CCc2nc([C@@H]3CCOC3)no2)c(C)c1C 96138899 SCTNLKNMLCCFRX-GFCCVEGCSA-N 276.340 1.938 0 50 CDAA CCCNC(=O)OC[C@@H]1CCCCN1Cc1cc[nH]n1 289930407 WKELCDPOOOMMMK-ZDUSSCGKSA-N 280.372 1.900 0 50 CDAA Cc1cc(O)c2cccc(C(=O)NCc3nccn3C)c2n1 426387070 JNZAXQGVQROMBX-UHFFFAOYSA-N 296.330 1.912 0 50 CDAA COCc1cc(N2C[C@H](C(C)C)[C@@H](N)C2)ncn1 91915152 RDXUTNMQJYJNBK-NEPJUHHUSA-N 250.346 1.043 0 50 CDAA Cc1cccc(C)c1CCNC(=O)N[C@@H](C)C(=O)N(C)C 178563358 FEPDUUWSBANAOE-ZDUSSCGKSA-N 291.395 1.622 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)NCCCn1ccnc1 95518251 NAIUIKYWZGAVNE-UHFFFAOYSA-N 290.371 1.699 0 50 CDAA CC(C)Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)n(C)n1 91756747 NMFWTGHSBPNNQT-ZDUSSCGKSA-N 278.400 1.395 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2scc3c2OCCO3)C[C@@H]1N 91616759 RXMIYIQHYLSRIH-ZJUUUORDSA-N 296.392 1.575 0 50 CDAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc(C2CC2)[nH]n1 336404278 BYOQMLIAHCMGCD-JTQLQIEISA-N 271.324 1.298 0 50 CDAA O=C(N1CCNC[C@H](O)C1)C1(c2ccccc2)CCCC1 97117615 KVOVKLYYKZLXCO-HNNXBMFYSA-N 288.391 1.291 0 50 CDAA COc1ccc(OC)c([C@@H](C(=O)O)N2CCSCC2)c1 95351971 NBKIDSBWZJJSCI-ZDUSSCGKSA-N 297.376 1.878 0 50 CDAA CC(C)[C@H]1N(C(=O)c2ccc(=O)[nH]n2)CC12CCC2 292289482 IFVOZXZHJLSYKZ-GFCCVEGCSA-N 261.325 1.421 0 50 CDAA Cc1cc(C)c(CNC(=O)CSc2nncn2C)cn1 244724313 MRSOROAFQUKHJG-UHFFFAOYSA-N 291.380 1.235 0 50 CDAA CCOC(=O)/C=C/N1CCN(C(=O)OC(C)(C)C)CC1 245197911 KRMBOMQQBZQRPA-VOTSOKGWSA-N 284.356 1.616 0 50 CDAA O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccsn1 294809944 FUHZCRJHLHOCRM-SNVBAGLBSA-N 289.364 1.332 0 50 CDAA CCOC(=O)N1[C@@H]2[C@@H]3[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5[C@@H]4N1C(=O)OCC 252428228 VFJRVBKVPGBGJZ-DJDLSKLQSA-N 278.308 1.321 0 50 CDAA CC[C@H](C)[C@H](CO)NC(=O)CCc1cc(Cl)no1 252570623 WYZJRIXDJBRFRT-WPRPVWTQSA-N 274.748 1.784 0 50 CDAA CC1=NO[C@](C)(C(=O)NCCCOC2CCN(C)CC2)C1 534661179 FFLPJVWLXAIZPL-HNNXBMFYSA-N 297.399 1.158 0 50 CDAA CC(C)c1noc(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)n1 534660495 RINHIQOCJHATTG-LBPRGKRZSA-N 290.367 1.427 0 50 CDAA O=S1(=O)CCC(N[C@H]2CCN(c3ccccc3)C2)CC1 291101236 JHYOZSGDJVFXGX-AWEZNQCLSA-N 294.420 1.432 0 50 CDAA CCO[C@H](CC)CNC(=O)N(Cc1cnn(C)c1)C1CC1 584892452 VMXGASYQJFGTDB-CQSZACIVSA-N 294.399 1.909 0 50 CDAA CCn1cnnc1CCN[C@@H]1CCN(c2ccccc2)C1 674882494 ODRZTZZGXRTSQO-CQSZACIVSA-N 285.395 1.709 0 50 CDAA CCc1cc(N2CCN(Cc3nccs3)CC2)ncn1 670461927 FHXIXEROABVBQQ-UHFFFAOYSA-N 289.408 1.818 0 50 CDAA COC(C)(C)CCNC(=O)c1nn(C)c2c1CC(=O)CC2 670447845 SMMRZVZNGQFTDB-UHFFFAOYSA-N 293.367 1.023 0 50 CDAA CC(=O)c1ccc(NCCN2CCC[C@@H](CO)C2)nc1 952984431 VGZYQPIALCMRDS-CYBMUJFWSA-N 277.368 1.400 0 50 CDAA Cc1ccccc1N1CCN([C@@H]2CCCNC2)CC1 71738639 VZXANXLMMZVSCE-OAHLLOKOSA-N 259.397 1.869 0 50 CDAA CC[C@@](C)(CNC(=O)[C@H](N)c1cccs1)C(=O)O 211532744 MHJRCSMSBGRTRB-SKDRFNHKSA-N 270.354 1.365 0 50 CDAA CC(C)CS(=O)(=O)CC(=O)N1CC[C@@H]2CCC[C@@H]21 408373628 LXUJIQSUKFGJJQ-RYUDHWBXSA-N 273.398 1.458 0 50 CDAA O=C(CN1CCn2cncc2C1)NCCC1CCCCC1 660577937 KPFIHPUSLNVJCW-UHFFFAOYSA-N 290.411 1.785 0 50 CDAA C[C@H]1C[C@@H](C(=O)NCCNC(N)=O)CC(C)(C)C1 584908479 PODGGHGLEYOBGG-VHSXEESVSA-N 255.362 1.233 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CO)Cc1nccs1 167730933 XHPDWPKZVITYHS-QMMMGPOBSA-N 258.343 1.571 0 50 CDAA COC[C@@H](C)n1ccc(NC(=O)c2ccc3nccn3c2)n1 186612810 DNCYXMDVGUWGSL-LLVKDONJSA-N 299.334 1.991 0 50 CDAA CCOc1ccc([C@@H]2C[C@H]2NCc2cnnn2C)cc1 585118690 YIGOSHGQKJVJTF-LSDHHAIUSA-N 272.352 1.860 0 50 CDAA Cc1cc2c(cc1C)O[C@H](C(=O)NC1(C(=O)O)CC1)C2 170066647 PLWYWNDBUBGWBU-LBPRGKRZSA-N 275.304 1.340 0 50 CDAA Cc1nccc(CNC(=O)N2CC(C)(C)OC(C)(C)C2)n1 187821312 LLNOCTXSZUMCGM-UHFFFAOYSA-N 292.383 1.884 0 50 CDAA O=C(NCc1csc(=O)[nH]1)c1n[nH]c2c1CCCCC2 188160012 FSAIHJASUIAEHU-UHFFFAOYSA-N 292.364 1.358 0 50 CDAA Cc1nn(C)cc1NC(=O)N1CCOC2(CCC2)C1 189592114 UARORBNAUHDUDD-UHFFFAOYSA-N 264.329 1.515 0 50 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CDAA O=C(N[C@H]1CCS(=O)(=O)C1)C1CCC(F)(F)CC1 408010741 XIPZQSILUCSMFU-VIFPVBQESA-N 281.324 1.115 0 50 CDAA COC[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 225440547 PGVIFUXJLMLGKD-TZMCWYRMSA-N 262.353 1.571 0 50 CDAA O=C(O)Cn1cc(NC(=O)CC2=CCCCC2)cn1 110534462 YZVSMMFTIKHKDU-UHFFFAOYSA-N 263.297 1.797 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cc3ccccc3o1)C2 1704303909 LLLMZSPGZPKBJG-OLZOCXBDSA-N 286.331 1.380 0 50 CDAA COC(=O)c1cc(Br)cc2c1CC(=O)N2 118609116 CPVGDRPQDRGFKS-UHFFFAOYSA-N 270.082 1.730 0 50 CDAA in-vitro CC[C@H](C)OCC(=O)N1CCO[C@H](c2ccco2)C1 120476688 GHLPVJHXYUTXNL-AAEUAGOBSA-N 267.325 1.995 0 50 CDAA CCn1nncc1C(=O)N1CCOCC2(CCCC2)C1 645990711 YLVBOLQEVWUIJC-UHFFFAOYSA-N 278.356 1.331 0 50 CDAA Nc1ccc(O)cc1C(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704342167 JRZUSBGQTPJIPI-GDBMZVCRSA-N 290.363 1.742 0 50 CDAA O=C(O)[C@]12CN(Cc3ccccc3Cl)C[C@@]1(C(=O)O)C2 1704316105 VQHMDKFGBBMQKZ-OKILXGFUSA-N 295.722 1.701 0 50 CDAA CCN1CCC[C@H]1CNC(=O)Cc1cc(C)nc(C)c1 1800409933 MAKSHQSGVBRMLJ-HNNXBMFYSA-N 275.396 1.841 0 50 CDAA CN(C(=O)C(C)(C)c1cccc(Cl)c1)c1nn[nH]n1 585125882 HXPMSTRCIHCHCC-UHFFFAOYSA-N 279.731 1.794 0 50 CDAA CCc1cnc(N)nc1NC[C@H]1CC2(CCNCC2)CO1 1772705437 YWVPNKPXSZJBGY-GFCCVEGCSA-N 291.399 1.192 0 50 CDAA O=C1CCN(c2ncc(Br)cn2)CC1 12955614 YMCZXCIBGNKAQX-UHFFFAOYSA-N 256.103 1.408 0 50 CDAA CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1 16580090 QWGSBCIJSPVREW-UHFFFAOYSA-N 250.317 1.579 0 50 CDAA O=CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 19890226 RLWIXOQDBILIDJ-UHFFFAOYSA-N 259.231 1.379 0 50 CDAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3cc[nH]c3)C[C@H]2CO1 1857726837 FEYQUCJRVAUIPT-IHRRRGAJSA-N 277.368 1.242 0 50 CDAA CCN1CCN(C(=O)c2cc[nH]c2)C[C@@H]1c1ncc[nH]1 328634293 TZNCQAUMUHDJTP-GFCCVEGCSA-N 273.340 1.257 0 50 CDAA CCC[C@]1(CO)CCN(CCc2cccc(C)n2)C[C@H]1O 1875248358 MLUFPRZKQBBGBX-IAGOWNOFSA-N 292.423 1.778 0 50 CDAA CCCN1CCC(Nc2cc(CC)nc3ncnn23)CC1 301112516 UVRQIJLSLJCXEV-UHFFFAOYSA-N 288.399 1.973 0 50 CDAA CC(C)c1ccc(CCCNC(=O)[C@@H]2CNCCO2)cc1 236641653 CMOIQGJGHMLGIA-INIZCTEOSA-N 290.407 1.847 0 50 CDAA CC[C@H](NC(=O)N1CC[C@@H](CN(C)C)C1)c1noc(C)n1 130234026 FCNQJRMTYWTAEI-RYUDHWBXSA-N 295.387 1.422 0 50 CDAA CCC[C@](C)(O)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 246179829 GPDFWGFYIWFKNI-XBFCOCLRSA-N 287.425 1.708 0 50 CDAA CCO[C@@H]1C[C@H](OC(=O)[C@H]2CCNC(=O)C2)C12CCC2 248161260 GJAYQDBKJRKAKH-TUAOUCFPSA-N 281.352 1.404 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1Cc2cccc(F)c2O1 136478459 BBVSPHISMGINCS-NEPJUHHUSA-N 293.294 1.595 0 50 CDAA O=C(O)c1cc(N2CCNCC2)nc2ccccc12 19735574 OWAGFZIDPRWSBS-UHFFFAOYSA-N 257.293 1.343 0 50 CDAA in-vitro C[C@H](Cc1ccc(NC(=O)[C@H]2COCCO2)cc1)C(=O)O 262811041 PDQRCCGRRXSHTC-ZWNOBZJWSA-N 293.319 1.304 0 50 CDAA C=CC(=O)N(CC)CC(=O)Nc1cnc(O)c(C)c1 901218733 ZWWJMPWHBQRCJW-UHFFFAOYSA-N 263.297 1.069 0 50 CDAA CC[C@@H](Oc1ccccc1F)C(=O)Nc1cnnn1C 905114817 RERUFZSRORQDEB-SNVBAGLBSA-N 278.287 1.750 0 50 CDAA Cn1ccc2ccc(CN3C[C@H]4COC[C@@H](C3)C(=O)N4)cc21 1704312518 SKTDUKPTPVLOHS-CABCVRRESA-N 299.374 1.125 0 50 CDAA Cn1nc(-c2ccccc2)cc1C(=O)NCC1CCNCC1 927767228 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CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)O 263010108 PNUMFVOAYTVFLU-MJDLHHQISA-N 267.325 1.123 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 178273857 GZXMDJKXBCNVEZ-QMMMGPOBSA-N 266.322 1.567 0 50 CDAA Cc1cn[nH]c1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 312291889 QEDOBWRPKPMZPT-SNVBAGLBSA-N 291.229 1.197 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C[C@@H](O)c2ccc(C)cc2)C1 530170790 NDSJMHJNQUBQRG-HIFRSBDPSA-N 279.336 1.204 0 50 CDAA CC(C)c1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)on1 426386319 MBMUNUHAZFKHJX-VHSXEESVSA-N 280.324 1.915 0 50 CDAA CCOc1cc[nH]c(=NCC[C@H]2CCCOC2)n1 534649893 ATIBEVIXFNQPJV-LLVKDONJSA-N 251.330 1.526 0 50 CDAA CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)O 686098792 JEBCUDVUNYARCM-ZDUSSCGKSA-N 274.320 1.633 0 50 CDAA O=C(c1cnn2c1CCCC2)N1CC(F)(F)C[C@@H]1CO 372553676 BOGCVKGIUVHFQG-SECBINFHSA-N 285.294 1.062 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]1CNC[C@H]1CCCO1 724982687 QKRWOWAPMXFUKS-VXGBXAGGSA-N 270.373 1.764 0 50 CDAA Cc1cc(N)nc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 871101503 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COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccsc1 1064610 IMXSRMUHYBMURO-JTQLQIEISA-N 276.321 1.802 0 50 CDAA O=C(O)CC1(C(=O)O)CCN(Cc2ccccc2)CC1 1669026 CANDQQKRBANRQJ-UHFFFAOYSA-N 277.320 1.828 0 50 CDAA CCOC(=O)C(C(=O)OCC)[C@@H]1CCCC(=O)C1 1766572 IKOAYBMYVQZXPV-SECBINFHSA-N 256.298 1.488 0 50 CDAA CC(=O)OCCN(C(C)=O)c1nc2ccccc2n1C 2320643 WIMOEBJSDATFLH-UHFFFAOYSA-N 275.308 1.489 0 50 CDAA c1ccc2[nH]c(CCc3nnc4n3CCNCC4)nc2c1 2356151214 XQKUZPFWANUTSH-UHFFFAOYSA-N 282.351 1.085 0 50 CDAA CCc1cc(OCCOCCNCCO)ccc1Cl 2974994 KJHIVMIYQNICGG-UHFFFAOYSA-N 287.787 1.880 0 50 CDAA O=C1OC[C@H]2CN(C(=O)c3ccc4c(c3)CCCO4)C[C@@H]12 2356166391 VVICVLIGARCTAG-CHWSQXEVSA-N 287.315 1.257 0 50 CDAA Nc1cc(I)cc(C2=NCCN2)c1 4105556 HDIQCJZXZVTDNU-UHFFFAOYSA-N 287.104 1.223 0 50 CDAA COc1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 4559422 UTZNNQFNPUTNIX-SECBINFHSA-N 284.337 1.004 0 50 CDAA COc1ccc(-c2nn3c(C)nnc3s2)cc1N 4736807 JNCVKDWUDAJYNC-UHFFFAOYSA-N 261.310 1.752 0 50 CDAA Cc1nc(CNC(=O)[C@@H]2CCCOC2)sc1C(=O)O 110787951 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32537138 RXWKSBBDMVRGPX-NSHDSACASA-N 296.330 1.999 0 50 CDAA CNC[C@@H](C)CNS(=O)(=O)c1ccc(C)nc1Cl 253415912 BXXFUSZHFFBNLS-MRVPVSSYSA-N 291.804 1.177 0 50 CDAA C[C@H](C(=O)N=c1ccn([C@H]2CCNC2)[nH]1)c1ccsc1 328631446 QYDYDIFBWUIRTR-JQWIXIFHSA-N 290.392 1.643 0 50 CDAA O=C(CCc1cnccn1)N[C@H]1CCc2ccccc2OC1 374615186 XXXIATSXFSHEIN-HNNXBMFYSA-N 297.358 1.919 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)O 262539595 RABUJGZKNZOGHN-BFHYXJOUSA-N 291.347 1.471 0 50 CDAA Cc1onc(N)c1S(=O)(=O)NCCc1cccs1 72240905 VZQQHEVYPWOWHI-UHFFFAOYSA-N 287.366 1.148 0 50 CDAA Cc1ccc(N(C)C(=O)c2c(C)c(C)nn(C)c2=O)nc1 330798875 FYMMBJXKHPXINA-UHFFFAOYSA-N 286.335 1.377 0 50 CDAA c1cc(C2CN(c3ncnc4[nH]cnc34)C2)ccn1 71762060 ONZCZGBIBUBJTD-UHFFFAOYSA-N 252.281 1.352 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)c1cnc(O)cn1 219315505 IZVOKGBUPHUARI-UHFFFAOYSA-N 297.318 1.341 0 50 CDAA Cc1occc1CN(C)C(=O)NCc1ncn(C)n1 332337084 RFRODWJOHMRGPN-UHFFFAOYSA-N 263.301 1.058 0 50 CDAA O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)c[nH]1 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C[C@@H](NC(=O)CN1CCCC1)c1cn2ncsc2n1 220531638 JTSOQPRZLSHKEG-SECBINFHSA-N 279.369 1.064 0 50 CDAA CC[C@@H](C(=O)NCCn1cnc(C)c1C)n1cccn1 221416386 GLQOORGWBBAPFV-ZDUSSCGKSA-N 275.356 1.464 0 50 CDAA COc1cc(F)c(C(=O)N2CC[C@@H](OC)C2)c(F)c1 223273365 GZFPWXJVWWNVLR-MRVPVSSYSA-N 271.263 1.834 0 50 CDAA Cc1cnc(C(=O)N2CCOC3(CCCCC3)C2)cn1 174446510 AYCWOLOFLOJPFG-UHFFFAOYSA-N 275.352 1.960 0 50 CDAA CCC[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1N(C)C 82160511 SVPULASFZAYEJA-DGCLKSJQSA-N 262.357 1.279 0 50 CDAA CC(C)c1nnc2n1CCN(c1ccnc(N(C)C)n1)C2 607145282 PDKYAQCXROXXQU-UHFFFAOYSA-N 287.371 1.278 0 50 CDAA Cc1nc(NCC2(C)COC2)cc(C2CC(O)C2)n1 223113311 QMCNUZSCZJXSLX-UHFFFAOYSA-N 263.341 1.472 0 50 CDAA Cc1nonc1CC(=O)N1CCO[C@H](c2ccccc2)C1 221298198 WSTOIQZDUWOZFZ-AWEZNQCLSA-N 287.319 1.521 0 50 CDAA COc1ccc(C=O)c(O)c1I 137675983 WHBYIQRFHSRAQG-UHFFFAOYSA-N 278.045 1.818 0 50 CDAA CCNc1nc(C)c(C(=O)N(CC)[C@H]2COC[C@@H]2O)s1 220231190 YCTZZFUUXPWBLA-UWVGGRQHSA-N 299.396 1.105 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ncccc1O 238900009 HPJVINQFCZFZTG-OINDSLJFSA-N 256.261 1.099 0 50 CDAA Cc1cc(N2CCCC[C@H]2c2cc[nH]n2)n2ncnc2n1 288892616 HQSBFSAINVGQCZ-LBPRGKRZSA-N 283.339 1.887 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1C(=O)O 237072820 DZEMABCSDHSGSV-LLVKDONJSA-N 280.324 1.418 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2CCCCCN2C)n(C)n1 97217604 NFPGZDGQUTYSHN-ZDUSSCGKSA-N 264.373 1.219 0 50 CDAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnn1)C2 91269592 LXJHFECDRPWJKR-CHWSQXEVSA-N 274.368 1.423 0 50 CDAA Nc1cccc(-c2cncc(C(=O)N3CCCC3)n2)c1 97742672 NYXUWWPLXTVYIY-UHFFFAOYSA-N 268.320 1.962 0 50 CDAA C[C@H](NC(=O)c1nc2ncccn2n1)[C@H]1C[C@H]2CC[C@H]1C2 248232477 CITCAAUVAROTIS-FIQHERPVSA-N 285.351 1.679 0 50 CDAA C[C@H](CO)NC(=O)c1cc(-c2ccsc2)n[nH]1 252535731 GSBKLKYNWDEEIZ-SSDOTTSWSA-N 251.311 1.249 0 50 CDAA O=C(N[C@H]1CC[C@H](O)CC1)c1nc(O)c2ccccc2n1 253531000 QAVXDFGTGNQMEO-MGCOHNPYSA-N 287.319 1.369 0 50 CDAA CO[C@@]1(C)C[C@H]1NC(=O)c1ccc(OCC(=O)O)cc1 621539823 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584890299 RURXZBBNIIXBQQ-UHFFFAOYSA-N 274.328 1.164 0 50 CDAA Cc1cc(=O)c(C(=O)N(C)C[C@H]2CCCN(C)C2)cn1C 584899083 UNZYWYXUKPHZKJ-ZDUSSCGKSA-N 291.395 1.108 0 50 CDAA COc1cc(-c2nc(-c3n[nH]c(C4CC4)n3)no2)ccn1 1324848825 SRJXBAFGMLLNTB-UHFFFAOYSA-N 284.279 1.803 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2ccnc(OC)c2)C1 584884106 LCZQXZCRHYJKPA-LBPRGKRZSA-N 278.352 1.979 0 50 CDAA Cn1cc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)cn1 132003454 LSEOYZPGEBTHMF-LLVKDONJSA-N 271.276 1.249 0 50 CDAA O=C(N[C@@]12CCC[C@@H]1NCC2)c1cnc2cc[nH]c2c1 1550194637 RZEJKYLCRODGIT-DZGCQCFKSA-N 270.336 1.577 0 50 CDAA Cc1nc(CC(=O)N(C)Cc2nccn2C)c(C)s1 268839534 QKUGFBBXOAUTOB-UHFFFAOYSA-N 278.381 1.695 0 50 CDAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@@H](C(=O)O)C1 218272930 MZAZRHHVPIYDCF-CWSCBRNRSA-N 291.303 1.148 0 50 CDAA Cc1nn(C)cc1NC(=O)C[C@@H]1NC(=O)c2ccccc21 896606929 UGAPBDFXAOOTBT-LBPRGKRZSA-N 284.319 1.542 0 50 CDAA Cc1cc(CNc2ncc(C)c(C)n2)nc(N(C)C)n1 302668750 JZUIRTHXBZKMED-UHFFFAOYSA-N 272.356 1.870 0 50 CDAA CSCc1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)o1 96161490 WJYLVCXMQIVYMB-WCQYABFASA-N 285.365 1.100 0 50 CDAA CC(C)n1nccc1C(=O)N[C@H]1CCn2ccnc2C1 547983622 XQAKSYSEFQINKG-NSHDSACASA-N 273.340 1.405 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC(=O)[C@@H](C)C2)cc1C 170603604 SEVTXUHDKGNCEH-NSHDSACASA-N 297.376 1.603 0 50 CDAA CC[C@H](O)CCNS(=O)(=O)c1cnc2ccccc2c1 170613376 ABXJQGDJDDOTJL-LBPRGKRZSA-N 294.376 1.674 0 50 CDAA Cc1nc(Cn2ccnc2[C@@H](O)c2ccc(F)cc2)no1 189527181 SUTNUXAIQBQKGD-ZDUSSCGKSA-N 288.282 1.844 0 50 CDAA O=C(CN1C[C@H]2C[C@@]2(O)C1)Nc1ccc2c(c1)CCC2 640475623 FAURFVVAYFJFLT-CZUORRHYSA-N 272.348 1.180 0 50 CDAA Cc1csc2ncnc(N3CC(=O)N[C@H](C)C3)c12 665722075 DLNDSKCIUITLGG-MRVPVSSYSA-N 262.338 1.324 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ncc(F)cc1F 190786701 IKUVCLRFFLHOAH-LLVKDONJSA-N 297.305 1.347 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccn(CCN(C)C)n1 190762726 AHYYLBSINGZDQM-RYUDHWBXSA-N 280.372 1.198 0 50 CDAA Cn1nncc1CC(=O)N1CC[C@H](Cc2ccccc2)C1 669137147 UQXZBWQNHYBHHU-CQSZACIVSA-N 284.363 1.449 0 50 CDAA Cc1ccc(N2CCCN(CCC3(O)CCC3)CC2)nn1 579208331 KPRBBNSTMGUSAO-UHFFFAOYSA-N 290.411 1.602 0 50 CDAA C[S@@](=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)O)C2)cc1 583652254 RQGIOZDKFHCZOE-VBKZILBWSA-N 295.360 1.361 0 50 CDAA O=C(O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccsc2)C1 714333548 KDVYNANKVZZVKO-BDAKNGLRSA-N 289.378 1.670 0 50 CDAA C[C@H]1CC(NC(=O)c2ccc(=O)n(CCF)n2)C[C@H](C)C1 585120705 CUHSJGPJHOHQQN-GHMZBOCLSA-N 295.358 1.767 0 50 CDAA CO[C@@H](CNCCc1ccncc1C)[C@H]1CCOC1 585117411 BKKSGWQSUHKYSX-GJZGRUSLSA-N 264.369 1.574 0 50 CDAA Cc1nc(Cn2cc(COc3ncccn3)nn2)cs1 656445914 YSOGXDPTNKSREW-UHFFFAOYSA-N 288.336 1.460 0 50 CDAA OC1(Cc2cn(C3CCOCC3)nn2)CCCCC1 656443801 PEXJUCLINHSYJO-UHFFFAOYSA-N 265.357 1.867 0 50 CDAA CS[C@H]1CCN(C(=O)CN2C(=O)Cc3ccccc32)C1 597712754 JPZUXIWZEXUNGF-LBPRGKRZSA-N 290.388 1.540 0 50 CDAA O=C(NCc1ccnc(N2CCCC2)c1)N1CC2(CC2)C1 1615907786 AASHDKLDVWVPGP-UHFFFAOYSA-N 286.379 1.987 0 50 CDAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccncc1 101440908 KOGIDHMJCULLSY-CYDGBPFRSA-N 274.320 1.445 0 50 CDAA COc1ccc(S(=O)(=O)/N=c2/ccc(C)c[nH]2)cc1 30280 ZVQCTQDKTJQULO-UHFFFAOYSA-N 278.333 1.621 0 50 CDAA COCCN1CCC[C@@H](CN(C)Cc2ccnn2C)C1 1506425412 OMGKYDODQDTPPR-AWEZNQCLSA-N 280.416 1.210 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)/C=C/c2cnc(N)nc2)C1 1506415520 YPPPSQBEUPLFCQ-AAOUONPWSA-N 290.367 1.082 0 50 CDAA C[C@@]1(Br)C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)O 902521857 SUJBYRRTQCQMLN-VAOFZXAKSA-N 290.157 1.626 0 50 CDAA CN(CCN(C)C1CCCC1)C[C@H]1COCCO1 1529167276 HQIHZNMGWBNTLC-AWEZNQCLSA-N 256.390 1.208 0 50 CDAA CC(C)N(CCn1cnc2cc[nH]c2c1=O)C(C)C 1857667367 ULXBKPFNXPQJII-UHFFFAOYSA-N 262.357 1.843 0 50 CDAA Cc1cccc([C@H](C)NC(=O)c2ncccc2O)n1 223287559 UUMVYDBZWCHKKG-JTQLQIEISA-N 257.293 1.982 0 50 CDAA CCC[C@]1(CO)CCN(c2ccncc2)C[C@@H]1O 1875244150 ARVURTDOXRLPRV-UONOGXRCSA-N 250.342 1.431 0 50 CDAA CCC[C@]1(C(=O)O)CN(c2ncc(CC)cn2)CC[C@@H]1O 1704358578 OHNVZHYNNFHHAY-WFASDCNBSA-N 293.367 1.481 0 50 CDAA Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CC[C@H](N)C1 215626051 GSYOTJISODSXCB-HIFRSBDPSA-N 298.390 1.924 0 50 CDAA CCC[C@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@@H]1C(=O)O 216221758 ANYIZKOMMLNVRK-STQMWFEESA-N 293.367 1.692 0 50 CDAA CCC1(NC(=O)c2cc(C(=N)O)c[nH]2)CCOCC1 330502370 BXHDUKKIGWOCHE-UHFFFAOYSA-N 265.313 1.587 0 50 CDAA COC(=O)C[C@H](C)CC(=O)N[C@H]1CCOC(C)(C)C1 330839548 LWLMXWVWLHSADY-MNOVXSKESA-N 271.357 1.650 0 50 CDAA Cc1cc(NC(=O)c2ccnnc2)ccc1C(N)=O 339607830 KWWKEYNFMZJRJX-UHFFFAOYSA-N 256.265 1.136 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1ccc2nn[nH]c2c1 1772804175 IHRWLEUKMVXDJH-UHFFFAOYSA-N 293.290 1.159 0 50 CDAA CCOC(=O)CCNS(=O)(=O)c1ccc(C)cc1 5592150 BOQIANGUTSBHMT-UHFFFAOYSA-N 271.338 1.227 0 50 CDAA Cc1c(Cl)ccc2c1NC(=O)/C2=C1\N=C(S)NC1=O 5730200 LZYVKZMVOUPQHY-CLFYSBASSA-N 293.735 1.727 0 50 CDAA NC1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 11729524 HRBIZTJAMVKWIO-ZDUSSCGKSA-N 254.761 1.797 0 50 CDAA CCCCN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 11771620 SRVGBLCXBWOGAP-LLVKDONJSA-N 252.358 1.646 0 50 CDAA O=C1CCCN1CCc1noc(Cc2ccsc2)n1 19219510 KKUDVMBIFSXOOT-UHFFFAOYSA-N 277.349 1.887 0 50 CDAA CN(Cc1c[nH]c(-c2ccccc2)n1)C[C@@H]1COCCO1 19866214 SBYYSXNVUFXYRF-OAHLLOKOSA-N 287.363 1.924 0 50 CDAA O=C(NCc1ccccc1)c1cccnc1N1CCOCC1 19973466 HEMSUNYVNAQAIP-UHFFFAOYSA-N 297.358 1.848 0 50 CDAA CC(C)[C@@H](N)C(=O)OB(c1ccccc1)c1ccccc1 169744510 MXVGNUYJIQDOPT-MRXNPFEDSA-N 281.164 1.319 0 50 CDAA NS(=O)(=O)Cc1c(F)cccc1Br 165074835 ACCCZOUQXRGGDE-UHFFFAOYSA-N 268.107 1.377 0 50 CDAA O=C(O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 1926534 STFMMAZDBQEUDU-HNNXBMFYSA-N 298.342 1.615 0 50 CDAA in-vitro COc1ccc(NC(=O)[C@@H]2CCCO2)c(C(=O)O)c1 110303010 DALSXTRRHOEIRU-NSHDSACASA-N 265.265 1.511 0 50 CDAA C[C@@H](NC(=O)[C@@H](C)n1cccn1)c1ncc(C(=O)O)s1 621608565 UQNQHHPBJQKRLC-HTQZYQBOSA-N 294.336 1.476 0 50 CDAA Cc1cn[nH]c1C(=O)N1C[C@@H](CC(=O)O)c2ccccc21 313766919 WELZZARWKNFCCC-SNVBAGLBSA-N 285.303 1.937 0 50 CDAA C[C@H]1CCCN(C(=O)CN[C@@H]2CCCn3nccc32)C1 640217717 OMBOQMGGSBJVNH-QWHCGFSZSA-N 276.384 1.566 0 50 CDAA CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H]1c1ncc[nH]1 332415599 QEOCNKQICRYFBB-JTQLQIEISA-N 299.396 1.287 0 50 CDAA CO[C@H](C(=O)N1CCc2n[nH]cc2C1)c1ccc(O)cc1 332731417 ZVAWSMQLVDCPKM-AWEZNQCLSA-N 287.319 1.388 0 50 CDAA COc1cc(C2(C(=O)N(C)CC(=O)O)CC2)ccc1C 237305989 ZBJYLNDNVVQOOZ-UHFFFAOYSA-N 277.320 1.578 0 50 CDAA CCCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 9708624 RMUSJGLZOXBUIW-UHFFFAOYSA-N 290.323 1.358 0 50 CDAA O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1C=CCCC1 158233922 JQVSWTPYJQVLME-GFCCVEGCSA-N 283.331 1.621 0 50 CDAA Cc1nc(C(C)(C)NC(=O)c2ccc(C(=O)O)s2)no1 262635052 OYUIBQWKVLPFDI-UHFFFAOYSA-N 295.320 1.803 0 50 CDAA O=C(CN1CCC[C@H]1C(=O)O)Nc1ccc(Cl)cn1 262667455 QDFJPQAFYZMFRD-VIFPVBQESA-N 283.715 1.223 0 50 CDAA CN(C(=O)C[C@H]1CCCO1)[C@H](C(=O)O)c1ccccc1 584908018 MOVZXEIVLHXAQG-OCCSQVGLSA-N 277.320 1.840 0 50 CDAA CC(C)(C)c1cc(C(=O)NCC2(C(N)=O)CCCC2)no1 266159579 KHEVNJPCWKZFIO-UHFFFAOYSA-N 293.367 1.748 0 50 CDAA CC1(C)CCN(C(=O)c2ccc(-n3cncn3)nc2)C1 266291406 GDHBDIWZSVUXTC-UHFFFAOYSA-N 271.324 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Cc1cc(=O)cc(O)n1C[C@H](O)c1cccc(O)c1 1547211195 XEZKMGXARVIQRN-ZDUSSCGKSA-N 261.277 1.302 0 50 CDAA Cc1cccc(C)c1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1704307051 RUWVMQLUWRGQKU-CABCVRRESA-N 288.391 1.706 0 50 CDAA Cn1ncc(Cl)c1C(=O)N1CCCC[C@H]1C(=O)O 520255558 SIAVEHDUXALGLZ-QMMMGPOBSA-N 271.704 1.153 0 50 CDAA COC[C@H]1CCCN([C@H](C)c2nnnn2C)CC1 331640494 MYMANOGGRVLWQT-MNOVXSKESA-N 253.350 1.020 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)Nc2c(C)noc2C)C1 459360031 DIDLEXJFXGMQNM-AOOOYVTPSA-N 253.302 1.980 0 50 CDAA O=C(c1cnc(C2CC2)nc1O)N1CCC[C@H]1C1(O)CC1 1772819882 WNNTWYJJPXZVMW-NSHDSACASA-N 289.335 1.189 0 50 CDAA CN(C)c1nc(NCc2nnc3ccccn23)ncc1F 1772702797 AOKISTHADDMRRY-UHFFFAOYSA-N 287.302 1.337 0 50 CDAA CNc1nc2nonc2nc1NCc1ccccc1 14978973 SOZCXBQUAOXXNA-UHFFFAOYSA-N 256.269 1.667 0 50 CDAA CN(C)C(=O)N1CCC(C(=O)Nc2cccnc2)CC1 19743300 KKHFWOJLQKDHFZ-UHFFFAOYSA-N 276.340 1.414 0 50 CDAA CN1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 19772770 JIFNRGXVPACIKK-CYBMUJFWSA-N 284.787 1.327 0 50 CDAA O=C(c1cccc(-n2cnnc2)c1)N1C[C@@H]2CCC[C@@H]21 1857684744 BNVNOCVOBQRCQV-JSGCOSHPSA-N 268.320 1.892 0 50 CDAA Cc1[nH]nc(-c2ccccc2)c1C(=O)NCCc1cnn[nH]1 1857720417 SYQWOSOLHKVNPZ-UHFFFAOYSA-N 296.334 1.476 0 50 CDAA O=C(NC1Cc2ccccc2C1)[C@@H]1CCc2ncnn2C1 1857724552 HLIDNXPWCAVAIB-CYBMUJFWSA-N 282.347 1.124 0 50 CDAA COC[C@H]1CCCN(C(=O)c2cc(C)nc(O)c2)CC1 332240804 UWWSXBIAJWALTN-LBPRGKRZSA-N 278.352 1.984 0 50 CDAA Cn1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 334234446 PYAOUTXYQHMMFT-JSGCOSHPSA-N 289.310 1.507 0 50 CDAA O=C(Nc1ccccc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 239248010 XVZVHBKIVGUKRA-YHALQVAKSA-N 257.289 1.823 0 50 CDAA COC(=O)c1cc(CN2CCC[C@@H]([C@H](C)O)C2)n(C)c1C 242302207 YQMFSWGTFMJDKR-QWHCGFSZSA-N 294.395 1.713 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2cnc3cc(F)c(F)cc3n2)C1 343691518 SQMUAOGTYRZNOI-IUCAKERBSA-N 295.289 1.494 0 50 CDAA CN(CCc1cnccn1)Cc1ccc(C(=O)O)cc1F 563283323 XVSAETGNKUBKEV-UHFFFAOYSA-N 289.310 1.988 0 50 CDAA Cc1ccc2oc(N3CC[C@@H](CO)[C@@H](O)C3)nc2c1 576686977 NQPKGQVOVOPYIP-JQWIXIFHSA-N 262.309 1.316 0 50 CDAA CN[C@H](C(=O)NCCc1ccc(F)cc1)c1cnn(C)c1 262021816 DAHYKFJEERWGBQ-AWEZNQCLSA-N 290.342 1.179 0 50 CDAA CCN1CCCN(C(=O)c2cccc(C(=O)O)c2)CC1=O 263408468 IHCBFGZSHBBRQM-UHFFFAOYSA-N 290.319 1.079 0 50 CDAA CN1CCN(CCCN(C)c2ncnc3[nH]ccc23)CC1 264790904 SLQAQDKOALVVQQ-UHFFFAOYSA-N 288.399 1.032 0 50 CDAA C[C@@H]1COCCN1CCN=c1[nH]cnc2cccc(F)c12 591018579 BVSSHXWQUDTJPQ-LLVKDONJSA-N 290.342 1.323 0 50 CDAA COCC1(NC(=O)c2cnc3cc[nH]c3c2)CCOCC1 908382113 QGOYWWKIEINMKD-UHFFFAOYSA-N 289.335 1.488 0 50 CDAA COCc1cc(N2CC[C@]3(C(=O)O)CCC[C@H]23)ncn1 910329064 ZZPNTNOKBOFCMJ-SMDDNHRTSA-N 277.324 1.457 0 50 CDAA CCc1onc(C)c1Cn1cnc2cnn(CC)c2c1=O 917922688 URYWMFOWPYGSLI-UHFFFAOYSA-N 287.323 1.520 0 50 CDAA COC(=O)[C@H]1C[C@@H](NC(=O)C(F)(F)c2nccs2)C1 839872748 LSOCZNZNHAIGEY-KNVOCYPGSA-N 290.291 1.303 0 50 CDAA CC[C@H](C)CN1CCO[C@@H](c2ccnc(N(C)C)n2)C1 952991797 DYMQGOLBSJQPGF-GXTWGEPZSA-N 278.400 1.962 0 50 CDAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)Cc1nc(O)n[nH]1 1875295996 DYVSJLPHJOQOQN-RKDXNWHRSA-N 292.364 1.642 0 50 CDAA CC(C)(NC(N)=O)c1cn(CCc2ccc(F)cc2)nn1 1875281977 ICNIALVBBUAANW-UHFFFAOYSA-N 291.330 1.563 0 50 CDAA C[C@@H]1CC[C@H](NC(=O)c2cc3nc[nH]c3cc2N)[C@@H](C)N1 1875319403 BBNLVVXQBBIZCR-LNLATYFQSA-N 287.367 1.404 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@@]1(CO)CCc2ccccc21 1875377179 VBIXWOOJLNMLCR-ZGRWHYIRSA-N 288.391 1.097 0 50 CDAA Cc1nnn(CCN[C@@H]2CCC[C@@H](c3ccnn3C)C2)n1 1875391872 WSFNNQZKYWLIQC-CHWSQXEVSA-N 289.387 1.031 0 50 CDAA C[C@H]1CCC[C@H](C)C1NC(=O)/C=C/CN1CCOCC1 1875335256 YUCLMOQFPKKCAO-SZBGIYDQSA-N 280.412 1.816 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 267104189 PNVKMPSFKQTADI-IGQOVBAYSA-N 261.321 1.186 0 50 CDAA COCc1ccc(CN2CCC[C@@](O)(C(=N)O)C2)cc1 330436788 BNXYKBXATIMALQ-HNNXBMFYSA-N 278.352 1.695 0 50 CDAA CC(C)n1ccnc1CNC(=O)c1cncc(O)c1 534630868 UVWKINQBWFKNJX-UHFFFAOYSA-N 260.297 1.495 0 50 CDAA N[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C1CC1 91808072 JVIPEIQKZAUQLB-OLZOCXBDSA-N 266.366 1.044 0 50 CDAA C[C@H]1[C@@H](C)NCCN1C(=O)c1ccc(C(=O)O)cc1 583267428 VVCSJTIABBWWPE-ZJUUUORDSA-N 262.309 1.207 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCNC1)C(=O)O 15446414 GETPKHLMTQAZSX-UWVGGRQHSA-N 272.345 1.354 0 50 CDAA CC1(C)CN(C(=O)[C@H](O)c2ccc(Cl)cc2)[C@@H]1C(=O)O 2325775163 FMMUXBLBDARIIN-GHMZBOCLSA-N 297.738 1.695 0 50 CDAA O=C(NC[C@H]1CCSC1)c1cncc(-n2cccn2)n1 2325784776 ITBAWOWDINBMDY-SNVBAGLBSA-N 289.364 1.145 0 50 CDAA C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)[C@]1(O)CCNC1 2325801365 DQYXXRQZELZPAY-PXAZEXFGSA-N 299.374 1.524 0 50 CDAA COc1ccc(Cn2cc(C(=O)N(C)OC)cn2)cc1 113677382 HKNRJHBOKFQJQQ-UHFFFAOYSA-N 275.308 1.573 0 50 CDAA CC(C)CCOc1ccc([C@@H]2NC(=O)NC2=O)cc1 197399 NJNLELAIPSFDOI-LBPRGKRZSA-N 262.309 1.992 0 50 CDAA biogenic O=Cc1cc(Br)ccc1OCC(=O)O 586295 KXRYNWDCFUKVNN-UHFFFAOYSA-N 259.055 1.725 0 50 CDAA in-vivo O=C(O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O 1317933 HBAJAVBPXWWMOM-QMMMGPOBSA-N 251.263 1.730 0 50 CDAA Cc1cnn(-c2cc(N3[C@H]4CC[C@@H]3C[C@@H](CO)C4)ncn2)c1 2356135320 YZXBVVADCSDIJS-ZSOGYDGISA-N 299.378 1.710 0 50 CDAA CC[C@H](C)NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 2458578 OWOIKGVFCKNMBT-RYUDHWBXSA-N 298.408 1.756 0 50 CDAA CO[C@H](C)Cn1ccnc1-c1cc(-c2cnn(C)c2)[nH]n1 2356164673 BYRDGZNXPOLPEH-SNVBAGLBSA-N 286.339 1.709 0 50 CDAA CN(C)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 4165838 LUUAEOURTNMQLR-UHFFFAOYSA-N 287.315 1.749 0 50 CDAA O=S1(=O)C=C[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]21 4347021 JHYSGQGAIVEWQD-KOLCDFICSA-N 269.709 1.754 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)C1CC1 4488293 GQTKUIFFCUBRTH-LBPRGKRZSA-N 288.347 1.944 0 50 CDAA CN1CCC(NC(=O)CSc2ccccc2)CC1 4805314 IPKGDCKKGVXFTP-UHFFFAOYSA-N 264.394 1.989 0 50 CDAA CCN1CCN(C(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)CC1 6731014 SPNVUIHLKRQAEW-UONOGXRCSA-N 294.395 1.598 0 50 CDAA Cc1cc(C)nc(-n2nc(O)c(CC(C)C)c2O)n1 101464836 DAQRCAFWCVVJBB-UHFFFAOYSA-N 262.313 1.889 0 50 CDAA OC[C@H]1CCCN1c1cc(NC[C@H]2CCCO2)ncn1 247958440 WKWMBXATABAFOA-VXGBXAGGSA-N 278.356 1.029 0 50 CDAA Cc1cc(C(=O)N(C)Cc2cnc3ccccc3n2)nn1C 20858560 ZZLAHWYSSQOBMV-UHFFFAOYSA-N 295.346 1.944 0 50 CDAA c1cc2c(cc1OCCNCCN1CCOCC1)CCC2 20482353 UPHWSKXHVQPRCQ-UHFFFAOYSA-N 290.407 1.476 0 50 CDAA Cc1cc(CCNC(=O)c2ccc(N)cn2)cc(C)c1O 423910141 ABYHLWRJJBZGCS-UHFFFAOYSA-N 285.347 1.959 0 50 CDAA O=C(NCCOCC(F)(F)F)c1csc2cncn12 347548295 YGMLSVPULOCFJX-UHFFFAOYSA-N 293.270 1.705 0 50 CDAA Cn1ccnc1CN1CCN(Cc2cccc(F)c2)CC1 65608134 WZSWDNKXPVLRKO-UHFFFAOYSA-N 288.370 1.877 0 50 CDAA CCc1nc(C)sc1CN1C[C@H](C(=O)O)CC1=O 65394394 MFXAJXJPRIDFTQ-MRVPVSSYSA-N 268.338 1.447 0 50 CDAA COc1ccc(C[C@H](C)N2CCN(CCO)CC2)cc1 23283107 ZMAIFPQBFJMZHM-AWEZNQCLSA-N 278.396 1.236 0 50 CDAA CN1C[C@@H]2[C@@H](CCCN2C(=O)c2cc[nH]c2C2CC2)C1=O 285050767 QFSIMVGJPAOSNM-DGCLKSJQSA-N 287.363 1.585 0 50 CDAA Fc1cc(CNCCN2CCOCC2)cc(F)c1F 62705684 DONZMDCLDMMKJV-UHFFFAOYSA-N 274.286 1.526 0 50 CDAA C[C@@]1(O)N(N)C(=O)O[C@]1(C)CCc1ccccc1 1427163 CPVWJABRMNRBPI-OLZOCXBDSA-N 250.298 1.412 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCNCC1 236834734 DTWRCWRKAOCQAG-UHFFFAOYSA-N 270.764 1.242 0 50 CDAA Cc1cc(C(=O)N(C)C2CCNCC2)ccc1-n1cncn1 237110702 RYUURUQOTVZKBK-UHFFFAOYSA-N 299.378 1.400 0 50 CDAA Cc1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)c2c1CCC2 333625816 ZGPBXIDGZRQQPQ-CYBMUJFWSA-N 286.331 1.019 0 50 CDAA Cc1nc[nH]c1CNC(=O)c1cc(-n2cccc2)ccn1 354370619 BDPWAEQHAPHQFR-UHFFFAOYSA-N 281.319 1.834 0 50 CDAA CC[C@@H](C(=O)N1CCn2cncc2C1)n1cccn1 72162796 HNPQOLJMBFFUJG-LBPRGKRZSA-N 259.313 1.073 0 50 CDAA O=C(CCc1ncc(-c2ccccc2)o1)N1CCNCC1 238086961 PRQGEJMKSSUZEL-UHFFFAOYSA-N 285.347 1.706 0 50 CDAA CN(C)c1nc(CN2CCC(=C(F)F)CC2)nc(=N)[nH]1 606444604 FUMDRBHXMALLHB-UHFFFAOYSA-N 284.314 1.097 0 50 CDAA CC[C@H]1CN(Cc2cncnc2)C[C@@]2(CCOC2)O1 241132959 JNORIILSHMWQTR-UONOGXRCSA-N 263.341 1.247 0 50 CDAA O=C(O)CCNC(=O)c1cc(-c2ccc(F)cc2)on1 238184181 FDGNOMXBMSBTCT-UHFFFAOYSA-N 278.239 1.685 0 50 CDAA O=C1OCC[C@@H]1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 241465922 NSYVSQCTDVDJFL-OCCSQVGLSA-N 288.347 1.653 0 50 CDAA CN1C[C@H](CNC(=O)C2(O)CCC2)Cc2ccccc21 336178310 KBRYWLLUPODCID-LBPRGKRZSA-N 274.364 1.326 0 50 CDAA COC[C@@H]1[C@@H](NC(=O)Cc2cccs2)[C@@H]2CCO[C@@H]21 219149276 WFNNJUISDDUSOB-XCCSTKFXSA-N 281.377 1.457 0 50 CDAA COc1cccnc1C(=O)NCCNc1ncccc1C 71759401 ATPPWMIMMLXIQU-UHFFFAOYSA-N 286.335 1.636 0 50 CDAA Cc1ccc(CCCC(=O)N[C@H]2CCC(=O)NC2=O)cc1 152127353 DOEBCNMMQBULQP-ZDUSSCGKSA-N 288.347 1.239 0 50 CDAA CN(CC[C@@H]1CN(C)CCN1C)Cc1ccccc1 39538075 YTMDVXWKDNFCLM-MRXNPFEDSA-N 261.413 1.754 0 50 CDAA O=C1N=C(N2CCSCC2)O[C@H]1c1ccccc1 39255749 DHNJCMSEIKIPAQ-NSHDSACASA-N 262.334 1.689 0 50 CDAA O=C(O)c1[nH]ncc1CN1CC(c2nc3ccccc3[nH]2)C1 216409368 XQWWMEPSBYECPZ-UHFFFAOYSA-N 297.318 1.584 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1nc(C)sc1C 219403970 IPZDIFOVCZCSSX-YGNMPJRFSA-N 296.392 1.540 0 50 CDAA CNC(=O)NC(=O)[C@@H](C)N(C)Cc1cc2ccccc2o1 175198503 QPSORRBICXYSAP-SNVBAGLBSA-N 289.335 1.709 0 50 CDAA C[C@H]1CCCN(C(=O)CCCn2ccnc2)[C@@H]1CN 156717976 UTYFDRLWAWCLOX-QWHCGFSZSA-N 264.373 1.249 0 50 CDAA C[C@@H](CN1CCN(C(=O)c2ncn[nH]2)CC1)c1ccccc1 214964719 FTMWOXHKXADDGH-ZDUSSCGKSA-N 299.378 1.366 0 50 CDAA C=CC(=O)NCCC(=O)N1CCOc2cccc(F)c2C1 374929586 NLQKEQHLBPFOPO-UHFFFAOYSA-N 292.310 1.239 0 50 CDAA OCC(CO)N1CCC[C@H](CCc2ccc(F)cc2F)C1 71748222 VNGHDMPCVLQFOU-GFCCVEGCSA-N 299.361 1.963 0 50 CDAA CC(=O)c1cc(CN2CC[C@]3(C2)CN(C)C(=O)O3)n(C)c1 215404619 XZFNHUGVSVJQKN-OAHLLOKOSA-N 291.351 1.254 0 50 CDAA CC(C)Nc1ncnc(Nc2ccc(C(N)=O)cc2)c1N 40450127 ODUFQUBFRUNPHU-UHFFFAOYSA-N 286.339 1.722 0 50 CDAA O=S(=O)([C@H]1CCOC1)N1CC(COc2ccccc2)C1 288240218 ANMPWQUKQRIWPV-AWEZNQCLSA-N 297.376 1.116 0 50 CDAA CCOC[C@H]1CN([C@H](C(=O)O)c2ccc(F)cc2)CCO1 530172671 MZEIXWVRKXNOTK-KGLIPLIRSA-N 297.326 1.689 0 50 CDAA Cc1ncnc(C)c1C(=O)N1CCCC[C@H]1CCC(=O)O 426684343 BHPXHMKXLYJDHY-LBPRGKRZSA-N 291.351 1.953 0 50 CDAA COc1ccccc1OCCCN1CCN[C@@H](C)C1 40456406 UYAJBGAPEWLSDM-ZDUSSCGKSA-N 264.369 1.758 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 178974242 NJUQNKOZGBSYQT-CYBMUJFWSA-N 284.363 1.554 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H](C)n1ccnc1C 426488253 MWMDEIRHHUDJBV-LBPRGKRZSA-N 289.383 1.841 0 50 CDAA Cc1nccn1CCN(C)C(=O)CN1C[C@@H]2CC[C@H]1C2 222778932 NQSUZYQSAZCMDH-KGLIPLIRSA-N 276.384 1.134 0 50 CDAA O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cncnc1 293583899 HXMTWSLJACNQGV-JTQLQIEISA-N 288.273 1.233 0 50 CDAA CCN(Cc1noc(C)n1)C(=O)NCc1cnn(C)c1C 426503239 HIQCTGJQDHGDIE-UHFFFAOYSA-N 292.343 1.152 0 50 CDAA O=C(CCn1cccn1)N1CC2(CCOCC2)[C@@H]1C1CC1 294426339 YSZQZCVZAWASMA-HNNXBMFYSA-N 289.379 1.691 0 50 CDAA CCCCn1nc(CCSC)nc1Cn1nnnc1C 96166189 KATJSTKDZRVWOO-UHFFFAOYSA-N 295.416 1.327 0 50 CDAA Cc1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1O 180859413 QIPCPVSNTWUEOQ-UHFFFAOYSA-N 297.376 1.350 0 50 CDAA Cn1ccnc1SCCNC(=O)C[C@@H]1CCCOC1 426512289 PIYAKRSPSGMULD-NSHDSACASA-N 283.397 1.445 0 50 CDAA O=C(NCCNCc1cccc2[nH]ccc12)c1ccn[nH]1 181134575 ZXXMWZBQFMKETN-UHFFFAOYSA-N 283.335 1.411 0 50 CDAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1ccco1)CC2 91621486 KOOWPYSZPWNQGX-KGLIPLIRSA-N 293.363 1.601 0 50 CDAA COCCn1ccnc1CN1C[C@@H](C(=O)O)[C@H](C2CC2)C1 92038444 OMRNMPQWEXSKRR-QWHCGFSZSA-N 293.367 1.072 0 50 CDAA Cc1nc(C(=O)NCC[C@H]2CCCN2C)c(C)s1 97553214 XEHYSTAGOFWNEF-LLVKDONJSA-N 267.398 1.974 0 50 CDAA Cc1ccc([C@H]2CC(=O)c3c(N)nc(N)nc3C2)o1 95117770 DIFYRJTXWJRHCJ-SSDOTTSWSA-N 258.281 1.455 0 50 CDAA COCCN1C[C@H](Cc2cc(C(C)C)nc(C)n2)CC1=O 244716189 LKGMSMULJQZKKP-CYBMUJFWSA-N 291.395 1.946 0 50 CDAA CNC(=O)[C@@H]1CN(C(=O)/C=C/C2CCCCC2)CCO1 183988885 GMFLKCUEAQAAGR-GWJCSSMESA-N 280.368 1.096 0 50 CDAA O=C(c1ccncc1Cl)N1CCC[C@H]1Cn1ccnn1 299744818 QAZSILMOYWGMBD-JTQLQIEISA-N 291.742 1.631 0 50 CDAA O=C(C[C@H]1CCOC1)N[C@H](C(=O)O)c1ccccc1 299752726 VEHICGJFZIBILT-MFKMUULPSA-N 263.293 1.355 0 50 CDAA CC(C)n1ccc(C(=O)N[C@H](C)c2ncnn2C)n1 354572528 RDKQHXCLORIBSX-SECBINFHSA-N 262.317 1.084 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)Cn1cc(C)cn1 534654309 KMKIQGMYHHOUBD-NSHDSACASA-N 276.344 1.070 0 50 CDAA CCn1c(C)cc(C(=O)NCCn2ccnn2)c1C 534653598 MLSKTWVEUYXWSK-UHFFFAOYSA-N 261.329 1.146 0 50 CDAA CC[C@H](NC(=O)Cc1c(C)n[nH]c1C)c1ncnn1CC 534674637 CCONRAWJLYWQSE-LBPRGKRZSA-N 290.371 1.448 0 50 CDAA CCn1ccc2cc(C(=O)NCCn3cncn3)ccc21 534629844 GPGSMXHWMJWBEM-UHFFFAOYSA-N 283.335 1.683 0 50 CDAA COCCN1CCN(C(=O)Nc2cncc(F)c2)CC1 281269044 AYBKROLMKSJQBF-UHFFFAOYSA-N 282.319 1.017 0 50 CDAA CCn1cc(NC(=O)NCc2cnn(C)c2)c(C)n1 299761151 SJILOVKVJTZNTC-UHFFFAOYSA-N 262.317 1.267 0 50 CDAA CC(C)c1cc(CN(C)C(=O)CNC(=O)N(C)C)on1 299788858 YHUHUPDZHYKBEZ-UHFFFAOYSA-N 282.344 1.028 0 50 CDAA Cc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCNC2)cn1 269145989 DGHUNQVWJFLJRW-CQSZACIVSA-N 284.363 1.615 0 50 CDAA CN(C)[C@H](Cn1cnc2ncncc2c1=O)c1ccco1 823652661 XFPFURMLOJLDCA-LLVKDONJSA-N 285.307 1.082 0 50 CDAA Cc1nn(CCCN[C@@H](C)CS(C)(=O)=O)c(C)c1C 670447842 OXOBOBZFIYRTEI-JTQLQIEISA-N 287.429 1.221 0 50 CDAA O=C(c1ccc(Cn2cccn2)o1)N1CCc2nocc2C1 670459510 ZMKIMZWIGQWYHS-UHFFFAOYSA-N 298.302 1.711 0 50 CDAA Cc1cc(C)n(CCCN(C)c2ncccc2C(N)=O)n1 670440150 PYLOIDKOTYXNCE-UHFFFAOYSA-N 287.367 1.520 0 50 CDAA CCCNC(=O)CN[C@@H]1CCCO[C@H]1c1cnn(CC)c1 952877469 QGVJMLUACZXPDB-HIFRSBDPSA-N 294.399 1.239 0 50 CDAA Cc1cccc(C)c1OCCN1C(=O)CCN(C)C1=O 952963955 OBPCNHBIAIINBP-UHFFFAOYSA-N 276.336 1.966 0 50 CDAA C[C@H](Nc1cnn(-c2ccncc2)c1)C1(O)CCOCC1 1875285434 NHTHDGGBRVESJY-LBPRGKRZSA-N 288.351 1.609 0 50 CDAA Cc1nc2[nH][nH]cc-2c(=NC[C@@H]2c3ccccc3CN2C)n1 1875286872 KFCFWNZBXXRTLJ-CQSZACIVSA-N 294.362 1.633 0 50 CDAA Cc1nscc1NS(=O)(=O)c1c(C)noc1C 1875281131 QJTVNXCJVIGSTE-UHFFFAOYSA-N 273.339 1.857 0 50 CDAA O=C(C[C@@]1(O)CCOC1)N[C@H]1CCOC2(CCCCC2)C1 1875283057 CZZYMDJJPTVDOS-ZFWWWQNUSA-N 297.395 1.526 0 50 CDAA Cc1cnc(C)c(N2CCCn3[nH]c(=N)cc3C2)n1 1875286973 PCWYCDHNYBDPII-UHFFFAOYSA-N 258.329 1.113 0 50 CDAA C[C@H]1[C@H](C2CC2)[C@@H]1C(=O)NC1(c2ncon2)CCC1 1875392383 HDWQWOFRERPPQS-JMJZKYOTSA-N 261.325 1.857 0 50 CDAA CN1CCC2(CC1)CCN(c1nccnc1C(=O)O)C2 1506415424 XXXSGXFUUSKZCW-UHFFFAOYSA-N 276.340 1.097 0 50 CDAA O=C(O)CC1(NC(=O)c2ccc3nonc3c2)CCC1 888099074 VBBOCTBTPBLYLB-UHFFFAOYSA-N 275.264 1.350 0 50 CDAA CO[C@H]1CCCCN(CC(=O)N(C)c2cccnc2)C1=O 886075327 JDQIKWBTLFJIQQ-ZDUSSCGKSA-N 291.351 1.072 0 50 CDAA Cc1ccnc(NC[C@@H](O)c2c(C)nn(C)c2C)n1 1354412437 QURITLUJQHVQDA-LLVKDONJSA-N 261.329 1.281 0 50 CDAA O=C(NCc1cnc2n1CCC2)c1cc(O)nc(C2CC2)n1 1434362900 PTRDNNGJWBDKRK-UHFFFAOYSA-N 299.334 1.132 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)OC(C)(C)C1 91692673 UVCRSTLUNAIJQQ-MRVPVSSYSA-N 259.302 1.486 0 50 CDAA in-vitro C[C@H](c1ccccc1)N1CCN2CCS(=O)(=O)C[C@@H]2C1 408522508 AMDNEVVUHZEVKX-HIFRSBDPSA-N 294.420 1.162 0 50 CDAA CC(C)N(CC(N)=O)C[C@@]1(C)CC1(Cl)Cl 408519484 GBBDDKQMXSMXEX-SECBINFHSA-N 253.173 1.766 0 50 CDAA Cc1cc(C)n2nc(SC[C@H]3COC(C)(C)O3)nc2n1 408513982 FKVPXUORFGGUGS-SNVBAGLBSA-N 294.380 1.985 0 50 CDAA Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CC13CCOCC3)C2 170019072 LVTOTZAJIGMCDS-CHWSQXEVSA-N 289.379 1.439 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1ccc(C(=O)O)c(C)c1 278579957 JIEWXJRLHDPJCD-VIFPVBQESA-N 287.337 1.470 0 50 CDAA CC1([C@@H]2CCCN(C(=O)c3ccon3)C2)OCCO1 170594272 BLXYCUAHJMBPEQ-SNVBAGLBSA-N 266.297 1.290 0 50 CDAA C[C@](NCCc1ccncc1)(C(N)=O)c1ccccc1 281127668 YBNPGNCFLNKPLL-MRXNPFEDSA-N 269.348 1.614 0 50 CDAA CCOc1cccc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c1 282501554 NFQWMLKRFNPNRW-ZDUSSCGKSA-N 297.376 1.344 0 50 CDAA C[S@](=O)c1nncn1Cc1cc(Cl)ccc1F 189020902 ACTQIKUPCUMRQV-KRWDZBQOSA-N 273.720 1.856 0 50 CDAA CC(C)(C)n1cc(CNc2nnc([C@H]3CCCO3)o2)nn1 191534826 QRWGWRYFTBZNNC-SNVBAGLBSA-N 292.343 1.880 0 50 CDAA CCn1c(SCc2cc(C)c(C(=O)OC)o2)n[nH]c1=O 192937787 UXGUDMHDNHDAAT-UHFFFAOYSA-N 297.336 1.572 0 50 CDAA C[C@H](N)c1ccc(NC(=O)COCc2ccnn2C)cc1 578979580 JZJRRBSAKBOPKD-NSHDSACASA-N 288.351 1.595 0 50 CDAA Cn1ncc2c(O)nc(=NC[C@@H]3CCc4cccnc43)[nH]c21 585092095 FCSDBASNOFFIRO-JTQLQIEISA-N 296.334 1.028 0 50 CDAA CSC[C@@H](C)C(=O)N1CCC[C@@H]1CS(C)(=O)=O 585113632 BUERJTWFFFHFTM-NXEZZACHSA-N 279.427 1.021 0 50 CDAA CCSCCS[C@H](CCC(=O)OC)C(=O)OC 585118171 FKNSERWDWQLFHI-SECBINFHSA-N 280.411 1.968 0 50 CDAA O=C(Nc1ccc(F)cn1)N[C@H]1CCCC12OCCO2 585120134 UPNJDMDGFPHEGT-JTQLQIEISA-N 281.287 1.638 0 50 CDAA CNc1ncccc1C(=O)NCC[C@@H]1CCCN1C 97436938 SSFDHECXPZHEBM-NSHDSACASA-N 262.357 1.337 0 50 CDAA CCCCNC(=O)CN(C)[C@@H](C(=O)O)c1ccc(C)cc1 1506416045 DARUVSZJWABPET-OAHLLOKOSA-N 292.379 1.969 0 50 CDAA CO[C@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 1506424269 ZSUBDUVUEIREAE-ZDUSSCGKSA-N 282.384 1.417 0 50 CDAA CSCCN1CCN(Cc2nccn2C2CC2)CC1 1506399773 FANQKDQUWKIUMZ-UHFFFAOYSA-N 280.441 1.699 0 50 CDAA Cc1ccn2c(NC(=O)[C@H]3CC=CCC3)nnc2n1 1506395994 LEZHMQSTEIQSGV-JTQLQIEISA-N 257.297 1.728 0 50 CDAA CC(C)C[C@]1(CO)CCCN(c2cncc(N)n2)C1 1857674366 FMONVIUAMBEQCK-CQSZACIVSA-N 264.373 1.684 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3cnc(N)nc3)C[C@@H]21 1704298658 KNJZZBWQNUPNFO-VNHYZAJKSA-N 276.384 1.432 0 50 CDAA O[C@H]1CN(Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1F 1615701635 CLCFDRFJPGESCP-IUCAKERBSA-N 275.226 1.523 0 50 CDAA Oc1ccc([C@H]2CN(c3ncnc4[nH]ccc34)CCN2)cc1 1640350914 UNBABLSSZBABJI-CQSZACIVSA-N 295.346 1.814 0 50 CDAA Cc1[nH]nc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)c1Cl 1772708981 DHLYAMHFCPZJPR-RNCFNFMXSA-N 299.758 1.295 0 50 CDAA COc1ccc(/C=C/CN2C[C@H]3[C@H](C2)C3(CO)CO)cc1 1772711680 IYNBKEPAJDWOQV-HSSFLUBNSA-N 289.375 1.241 0 50 CDAA O=S(=O)(CCN1C[C@H]2C[C@H](O)C[C@H]2C1)c1ccccc1 1775978664 ULIRVOUPUZXIMS-WDNDVIMCSA-N 295.404 1.163 0 50 CDAA COc1cc(CN2CCC(N)CC2)cc(OC)c1OC 5002255 FRZBIKUJFOMWQK-UHFFFAOYSA-N 280.368 1.636 0 50 CDAA CC[C@@H](C(=O)O)S(=O)(=O)c1ccc(C(=O)O)cc1 5953881 WKLJEXGGVMIWEB-VIFPVBQESA-N 272.278 1.022 0 50 CDAA OCc1ccc(CN[C@H]2CCCN(c3ncccn3)C2)o1 12304133 ISSUTJKGDMACAM-LBPRGKRZSA-N 288.351 1.321 0 50 CDAA Nc1ccccc1N1CCN(C(=O)c2ccco2)CC1 13534955 KBQPTOIUYXVHIQ-UHFFFAOYSA-N 271.320 1.824 0 50 CDAA Nn1c([C@@H](O)c2ccccc2)nnc1[C@H](O)c1ccccc1 18126820 OVMFKQXQRXUOKW-OKILXGFUSA-N 296.330 1.155 0 50 CDAA Cc1ccc(C)c(OCC(=O)NCCN2CCOCC2)c1 19939647 LNDHKUXWUAUBPG-UHFFFAOYSA-N 292.379 1.131 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(CO)CCCC3)n[nH]c21 1857529756 ZEZKZWXLXNMNRK-ZJUUUORDSA-N 293.367 1.467 0 50 CDAA O=C([C@@H]1C=CCN1)N1CCc2c(Cl)cccc2C1 1857683491 VHZGJOBQEUIGRH-ZDUSSCGKSA-N 262.740 1.753 0 50 CDAA CCC[C@]1(CO)CCN(C(=O)c2cncc(F)c2)C[C@@H]1O 1857721144 BPXAYNUYGDPEPB-DZGCQCFKSA-N 296.342 1.206 0 50 CDAA Cc1ocnc1C(=O)N[C@H]1C[C@H]2CO[C@H](C(C)C)CN2C1 1857735400 CGQQMSXXFWLRGH-AVGNSLFASA-N 293.367 1.211 0 50 CDAA O=C(O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1831034 PVFCXMDXBIEMQG-SNVBAGLBSA-N 281.264 1.231 0 50 CDAA in-vitro Cn1cnnc1[C@H]1CN(Cc2cccc3[nH]ccc23)CCO1 328621158 AIPZTSHSAFVAOD-OAHLLOKOSA-N 297.362 1.870 0 50 CDAA O=c1c2cc(F)ccc2ncn1C[C@@]1(O)CCCOC1 656701520 WMLNFESYPHXKJJ-AWEZNQCLSA-N 278.283 1.077 0 50 CDAA C[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2cnn(C)c2)ns1 900798576 RJFXEESCTJOHJX-VXNVDRBHSA-N 293.352 1.302 0 50 CDAA CN(Cc1cn(C)nn1)Cc1c(Cl)cccc1C(=O)O 905374289 SMMXCHLYMIXNSC-UHFFFAOYSA-N 294.742 1.799 0 50 CDAA Cc1ncc(C(C)C)c(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704331144 OSZNEPKLLQTHSD-KGLIPLIRSA-N 290.411 1.675 0 50 CDAA O=S(=O)(c1ccoc1)N1CCC[C@@H]1c1ncccn1 907336088 OVANLKJATWTKSN-LLVKDONJSA-N 279.321 1.595 0 50 CDAA O=C1CN(C(=O)[C@H]2CCc3cc(F)ccc32)CCCN1 825455451 KEYUAPLZIXVSSH-ZDUSSCGKSA-N 276.311 1.204 0 50 CDAA Nc1ccc(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)cn1 930481815 WVMNNDNGMPMVSQ-KBPBESRZSA-N 289.404 1.933 0 50 CDAA O=C(CC1CCC1)NCc1nc(C(F)(F)F)no1 1262084371 OXJFRNRKGJGMJF-UHFFFAOYSA-N 263.219 1.895 0 50 CDAA CC(C)[C@@H](NCc1cnn(C)n1)C1(CO)CCCC1 835065582 IHVVLUVVPJOVFL-CYBMUJFWSA-N 266.389 1.482 0 50 CDAA C=CC(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 1120553459 AFRNOHYOYRYMLV-CQSZACIVSA-N 268.316 1.892 0 50 CDAA COc1nscc1CN(C)c1cc(CO)ccn1 723230390 WNJCVMUUUGJIFE-UHFFFAOYSA-N 265.338 1.675 0 50 CDAA O=C(Nc1ccc2c(c1)CNC2)c1ncccc1O 386687300 RATKPZWKLNASGW-UHFFFAOYSA-N 255.277 1.643 0 50 CDAA COc1ccccc1-c1ccnc2[nH]c(=O)[nH]c(=O)c12 10339001 PZBDDKWKPQGUAD-UHFFFAOYSA-N 269.260 1.287 0 50 CDAA CSc1nc(=NC(=O)c2c(C)ncnc2C)[nH]s1 2100483695 LQZVOMXKFANUDF-UHFFFAOYSA-N 281.366 1.341 0 50 CDAA COc1cc(-c2cc3c(cc2OC)OCO3)[nH]c(=N)n1 2100540042 APFZLEJKIWLXHZ-UHFFFAOYSA-N 275.264 1.302 0 50 CDAA Cc1cccc2nc(NC(=O)CCn3nnnc3C)[nH]c12 2100540803 QLPISXONYAEPTB-UHFFFAOYSA-N 285.311 1.195 0 50 CDAA CCN1CCN=C1NCc1ccc2cnn(C)c2c1 2325771365 AUIDYYDCSTZOPP-UHFFFAOYSA-N 257.341 1.354 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cc(C2CC2)ccn1 2325777749 ALYWIJPWOVKQSL-XQHKEYJVSA-N 286.331 1.798 0 50 CDAA Cn1cc(C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)c([C@H]2CCCO2)n1 2325791728 ZFCQUIIVSCUPNE-LSCVPOLPSA-N 275.352 1.800 0 50 CDAA c1cncc(Cc2nnnn2Cc2cccs2)c1 2325822104 DCOOULHYRHIDLO-UHFFFAOYSA-N 257.322 1.769 0 50 CDAA O=C(Cc1cccnc1)Nc1n[nH]c2c1COCC2 899253066 HSOYTGNAYBUNCK-UHFFFAOYSA-N 258.281 1.059 0 50 CDAA CC(C)c1nc(/C=C/c2ncnn2C)ncc1C(=O)O 899356672 PSNXXPHMJUBUHB-SNAWJCMRSA-N 273.296 1.597 0 50 CDAA Cc1nc(C(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)sc1C 923194444 PILPMODYNLJQLA-QCLAVDOMSA-N 280.349 1.599 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(OC)ccn1 116194768 KVGIAVKZYZXSIH-UHFFFAOYSA-N 289.291 1.766 0 50 CDAA C[C@H](Oc1cccc(F)c1)C(=O)N1CC[C@H](N)C1 237667650 TVBOYXNJZCGSMW-ONGXEEELSA-N 252.289 1.153 0 50 CDAA Cc1cc(C(=O)O)cc(S(=O)(=O)N2CCOCC2)c1C 78355 HKFWSTAJHSZYBC-UHFFFAOYSA-N 299.348 1.023 0 50 CDAA O=C(NC(=S)N1CCSCC1)c1ccccc1 140316 KJDWHLXAXCCRMY-UHFFFAOYSA-N 266.391 1.750 0 50 CDAA CCC(=O)NC(=S)Nc1cccc(C(=O)O)c1 309796 AKFFSLPECHFRMT-UHFFFAOYSA-N 252.295 1.608 0 50 CDAA CC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 324441 UUPIRRZKLHFLLE-UHFFFAOYSA-N 269.366 1.831 0 50 CDAA CC1=CC(=O)[C@H](n2nnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 436872 QTAAHWSJWGDPBP-WCQYABFASA-N 299.290 1.825 0 50 CDAA CN(C)S(=O)(=O)Nc1ccc(Br)cc1F 456769 DPFVDIWHKCKJLP-UHFFFAOYSA-N 297.149 1.807 0 50 CDAA Cc1cccc(NC(=O)[C@@H]2CC(=O)n3cnnc3S2)c1 553220 RTHKJOIJUMQBSO-JTQLQIEISA-N 288.332 1.730 0 50 CDAA Cn1c(=O)n2ncnc2c2c3c(sc21)CCCC3 613671 DKFSFKYGLCTORV-UHFFFAOYSA-N 260.322 1.522 0 50 CDAA COC[C@@]12COC[C@@H]1CN(Cc1c(C)noc1C)C2 2356139325 WBEKRNNXQBAPKM-JSGCOSHPSA-N 266.341 1.386 0 50 CDAA O=C1N(CCO)CCC[C@]12CCCN2Cc1ccccc1 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1875282194 QWQIFMCETCZZCC-UHFFFAOYSA-N 262.288 1.296 0 50 CDAA C[C@@]1(O)CC[C@H]1NC(=O)c1ccc(-c2cn[nH]c2)cc1 1875297392 OCGSHZXSIGBHRL-UKRRQHHQSA-N 271.320 1.720 0 50 CDAA COc1cc(C2(NC(=O)/C=C/CN(C)C)CC2)ccn1 1875378396 BSHIVJCYWILYBA-SNAWJCMRSA-N 275.352 1.313 0 50 CDAA CC1(C)OC[C@H](CONC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)O1 1875307231 LEWBWONCWFCDRP-WHOHXGKFSA-N 285.340 1.001 0 50 CDAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc2cccnc2c1 1875382600 IKSYGQGMBIODCG-SECBINFHSA-N 278.333 1.414 0 50 CDAA CC(C)(O)CCN1CCC[C@H](CNC(=O)c2ccoc2)C1 952974389 MGCCXFBRBDGXBK-CYBMUJFWSA-N 294.395 1.882 0 50 CDAA CC(C)(F)CNC(=O)[C@@H]1NCCOc2ccccc21 1342347737 JIXXEPANDFXCGP-GFCCVEGCSA-N 266.316 1.574 0 50 CDAA O=C(NCc1cnc2n1CCC2)[C@H]1CC[C@H]2CCCCN21 1364018745 FRPOFWWPGMEZMD-TZMCWYRMSA-N 288.395 1.462 0 50 CDAA Cc1cnc(NCc2cccnc2N2CCOCC2)nc1 270262682 XXPVCOXAKHVVSS-UHFFFAOYSA-N 285.351 1.629 0 50 CDAA Cc1nnc(CN2C(=O)CC3(CCCC3)C2=O)s1 271422051 BYTHZIYINSHCAI-UHFFFAOYSA-N 265.338 1.666 0 50 CDAA O=C([C@@H]1CCCCO1)N(C[C@@H]1CCCN1)C1CC1 186540011 KKFMXGXPAIJFEH-AAEUAGOBSA-N 252.358 1.299 0 50 CDAA Cc1nc(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)c[nH]1 275423391 PALIXHGOMWQLAF-WCQYABFASA-N 289.339 1.102 0 50 CDAA O=C(NCCc1nccs1)c1c[nH]nc1[C@@H]1CCOC1 275521809 MHKFIIUQVXPXRS-SECBINFHSA-N 292.364 1.343 0 50 CDAA CC(=O)Nc1ccncc1NC(=O)[C@@H]1CCCO[C@H]1C 276565928 ADIBVAPWLCIZMX-GXSJLCMTSA-N 277.324 1.794 0 50 CDAA O=C(O)[C@H](O)c1ccc(O)c(OC(F)(F)F)c1 514284316 AWEMPCNWIXXQSP-SSDOTTSWSA-N 252.144 1.409 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(O)nn1 277589657 ZYMHCFBTZHKRER-DTWKUNHWSA-N 251.286 1.326 0 50 CDAA CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCCOc2ccccc21 187334465 RDZIXAXIKNQOTP-STQMWFEESA-N 288.347 1.637 0 50 CDAA CCC[C@H]1C(=O)NCCN1C(=O)CC1(O)CCCCC1 305741200 RUSQKVCHGDUQRV-LBPRGKRZSA-N 282.384 1.199 0 50 CDAA CC1(c2nc(Cn3cnc4ccccc43)no2)COC1 278204341 PSUYWVOGKQWJCG-UHFFFAOYSA-N 270.292 1.756 0 50 CDAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc2c(c1)OCO2 1074636101 HSGBSSQYTTXXPV-HOSYDEDBSA-N 261.277 1.323 0 50 CDAA CCCCS(=O)(=O)Cc1nc2ccsc2c(=O)[nH]1 170610885 UPECFOUEEZIKKF-UHFFFAOYSA-N 286.378 1.700 0 50 CDAA Cn1c(S)nnc1CNC(=O)[C@@H]1C[C@H]1C1CCC1 170653230 HDVJUCPVTATPSO-DTWKUNHWSA-N 266.370 1.156 0 50 CDAA CO[C@@H](C)CS(=O)(=O)N[C@H](c1nccs1)C1CC1 170620340 MXSIAPRZVGTZSP-WPRPVWTQSA-N 290.410 1.549 0 50 CDAA COCCOc1cccc(C(=O)NC[C@@H]2CC[C@H](O)C2)c1 170609879 BVTRAXQBZBPRHO-OCCSQVGLSA-N 293.363 1.603 0 50 CDAA CN(CC(=O)OC(C)(C)C)C(=O)CC[C@H]1CCCO1 225530471 GHBKNUDPXHRQOX-LLVKDONJSA-N 271.357 1.746 0 50 CDAA COc1cccc2c1CCN(C(=O)c1cnnn1C)C2 281542503 ZKEVWVAWTXBSFR-UHFFFAOYSA-N 272.308 1.022 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2occc2C)C1(C)C 188835930 HJUZBQCEVLBUMZ-ABAIWWIYSA-N 281.352 1.884 0 50 CDAA CC(C)c1nnnn1CC(=O)Nc1ccc2c(c1)CCC2 194285416 SEAWZXMIHVHPLC-UHFFFAOYSA-N 285.351 1.924 0 50 CDAA CCc1cccc(C(=O)N2CCOC[C@@]23CCOC3)n1 581925814 XFWJFNFISJWJDE-HNNXBMFYSA-N 276.336 1.276 0 50 CDAA CCC1(CC)[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C[C@H]1OC 585135623 SXORGSUISIQLTL-GYSYKLTISA-N 282.384 1.365 0 50 CDAA Cc1nc(CN(C)C(=O)c2c(C(C)C)n[nH]c2C)no1 679725147 ORSVQXJMBXBRFA-UHFFFAOYSA-N 277.328 1.805 0 50 CDAA Cc1nn(C)c(C)c1CN(CCn1cnnc1C)C1CC1 1506414132 WBNBKDRXQCASBA-UHFFFAOYSA-N 288.399 1.601 0 50 CDAA C1CCC2(CCN(CC[C@@H]3COCCO3)CC2)OC1 1857686924 JHPJEGSOMGRTSX-CQSZACIVSA-N 269.385 1.827 0 50 CDAA Cc1cnc(CNC(=O)c2cccn2C2CC2)cn1 1857705305 BNWPEBGQYTZACA-UHFFFAOYSA-N 256.309 1.851 0 50 CDAA CNC(=O)c1ccnc(N(C)Cc2c[nH]nc2C)c1 1529190912 PECRJXBPVWSXQD-UHFFFAOYSA-N 259.313 1.109 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3cccc(C)n3)C[C@@H]2O)on1 1529119035 AUZDMZYAZNAFLR-CJNGLKHVSA-N 287.363 1.722 0 50 CDAA CC1=CC[C@H]2CN(S(=O)(=O)c3cn(C)c(C)n3)C[C@H]2C1 215265080 GGORAKWPHSPEIN-QWHCGFSZSA-N 295.408 1.705 0 50 CDAA CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](O)C1(C)C 408376697 TYOYOWJZHNMTNU-GRYCIOLGSA-N 254.374 1.136 0 50 CDAA CCCc1nc(N2C[C@H](O)[C@H](Cc3cc(C)no3)C2)no1 1704296995 BSWXUUMONMGDIC-PWSUYJOCSA-N 292.339 1.358 0 50 CDAA CCC1(CC)[C@H](NC(=O)[C@@H]2CSCN2)C[C@H]1OC 122364006 RPSLWYAPEUOTSM-HBNTYKKESA-N 272.414 1.359 0 50 CDAA COc1cnc(-c2noc(COC(F)F)n2)cn1 632157320 LTIIRDQLUNFPFQ-UHFFFAOYSA-N 258.184 1.274 0 50 CDAA Cc1ccc(N2C(=O)C(Cl)=C(NCCO)C2=O)c(C)c1 13402146 IWUGKOQICVHWPE-UHFFFAOYSA-N 294.738 1.209 0 50 CDAA O=C(c1cccn1C1CC1)N(CCO)Cc1ncc[nH]1 1704336327 GAMBPVMHRGTZCS-UHFFFAOYSA-N 274.324 1.181 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)N(C)CCc1ccncc1 1615044688 PYXPUAFQPLFRNO-ZIAGYGMSSA-N 277.368 1.691 0 50 CDAA CC(=O)N1CCCCCCNC(=O)[C@H]2CCC[C@@H]21 1614601821 JVEHEFPFPUSMMJ-STQMWFEESA-N 252.358 1.694 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1cc(F)c3ncccc3c1)C2 1614619429 BCCSXAFSLMNBHE-RYCVTPFZSA-N 285.322 1.984 0 50 CDAA Cn1cc(-c2ccc(C(=O)NC[C@@H]3CCOC3)o2)cn1 1615590222 KLEIMEAICLSJSQ-JTQLQIEISA-N 275.308 1.446 0 50 CDAA COCc1nnc(NCCCc2c(C)noc2C)o1 1772704429 BJZKDQPBVCKZSY-UHFFFAOYSA-N 266.301 1.866 0 50 CDAA COc1ccccc1NC(=O)C[C@H]1SC(=N)NC1=O 5704339 AEQDNGRKIPEZRX-SECBINFHSA-N 279.321 1.190 0 50 CDAA CC(C)N(CCO)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12466333 AHGMGQQJFJJBRV-CYBMUJFWSA-N 296.411 1.397 0 50 CDAA CCOc1ccc(C(=O)NC2CCN(C)CC2)cc1 16602513 HEUWVFBADSPXHG-UHFFFAOYSA-N 262.353 1.909 0 50 CDAA CCOC(=O)c1cccc(-n2nnnc2S)c1 17723415 FMJRCCSOOOSPES-UHFFFAOYSA-N 250.283 1.128 0 50 CDAA CCCC[C@H](C(=O)OC)n1ncc(N(C)C)cc1=O 19773549 IPEQABPTICVGMT-LLVKDONJSA-N 267.329 1.214 0 50 CDAA Cc1ccc(S[C@H](C)C(=O)N2CC(O)C2)cc1 156547821 CUMDPGHKJJLJRV-SNVBAGLBSA-N 251.351 1.679 0 50 CDAA O=c1cc(CN2CCC(c3ccno3)CC2)[nH]c2ccnn12 1857527770 BRYSIANZKBDBQR-UHFFFAOYSA-N 299.334 1.390 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NCc1nc(-c2cccc(O)c2)no1 1857529204 FIZGGRGEZXKVSQ-LDYMZIIASA-N 273.292 1.714 0 50 CDAA CO[C@@H]1CCNC[C@@H]1NC(=O)/C=C/c1ccccc1 1857689247 KZPPGODLEQFGSF-JYASZMECSA-N 260.337 1.193 0 50 CDAA Cc1nc[nH]c1CC(=O)N[C@@H]1COc2ccccc21 1857689344 BFXFPXDJTXPTIF-GFCCVEGCSA-N 257.293 1.511 0 50 CDAA CN1CC[C@@]2(CCN(Cc3ccc(-n4cncn4)cc3)C2)C1 430130673 KTKMAUIWKSPIOD-QGZVFWFLSA-N 297.406 1.795 0 50 CDAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc[nH]n1 363635905 PWCLNJYRWCTMGE-JTQLQIEISA-N 261.285 1.038 0 50 CDAA O=c1c2[nH]ccc2ncn1CC[C@H]1COc2ccccc2O1 1875243429 GVVRPRXZVPSDGR-NSHDSACASA-N 297.314 1.955 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)c2ccc(N)cc2)C1 419314 USLQEPOHTJUPHK-JTQLQIEISA-N 254.355 1.689 0 50 CDAA in-vitro C[C@H](CN1CCCCCC1)NC(=O)N1CC[C@@H](C)[C@H]1CO 225513342 JLLDCPOUFIYUEK-RBSFLKMASA-N 297.443 1.663 0 50 CDAA CCOCCN1C[C@@H](C(=O)O)[C@H](c2cccc(OC)c2)C1 34927151 WRVBSWGDVVJZRD-LSDHHAIUSA-N 293.363 1.832 0 50 CDAA in-vitro C[C@]1(NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCOC1 163919933 BNWJUMVAPNHEOT-JSGCOSHPSA-N 294.355 1.363 0 50 CDAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCO 5531791 VASQDOVKXLCCIG-SSDOTTSWSA-N 278.135 1.869 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(Cc1cccc(O)c1)C2 1704330532 FDYOTQGOBLPXPW-KBPBESRZSA-N 262.353 1.155 0 50 CDAA CCn1ncc(C(=O)N[C@H]2CCc3ccc(F)cc32)n1 815484562 USUWBKHRDPORRF-LBPRGKRZSA-N 274.299 1.854 0 50 CDAA C=CC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 820432661 NYITUOCBWHCOSF-JTQLQIEISA-N 285.752 1.813 0 50 CDAA CC(C)(CNC(=O)C[C@H]1CC(=O)NC1=O)C1=CCCCC1 935449978 KXNCCIBGPKJUFK-NSHDSACASA-N 292.379 1.682 0 50 CDAA CCS(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 262569 DGIMHDMNMHNVDN-UHFFFAOYSA-N 288.413 1.061 0 50 CDAA CCCS(=O)(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 101674533 DCZUBCJPWUAHBS-IHRRRGAJSA-N 286.441 1.532 0 50 CDAA CCN(CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2N)C1 236901401 XATJOCDLWKDGDC-IHRRRGAJSA-N 267.417 1.304 0 50 CDAA COC(=O)[C@@H]1CCCN1Cc1nc(-c2cccs2)no1 55053767 VZSOGFLGAZWBKV-VIFPVBQESA-N 293.348 1.936 0 50 CDAA CC1(C)C[C@@H](O)CCN(CCCn2cccn2)C1 670438497 VFUWMVVYGIRQQV-ZDUSSCGKSA-N 251.374 1.756 0 50 CDAA CN1CCC2(CCN(CCCn3cccn3)CC2)C1 670449562 DUIZHQHTESQXOL-UHFFFAOYSA-N 262.401 1.691 0 50 CDAA COc1ccnc(NC[C@H](C(=O)O)C2CCOCC2)n1 863734461 QQTFCPYSZUTAGN-JTQLQIEISA-N 281.312 1.025 0 50 CDAA CC1([C@H](O)CNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 2325783058 WJQFCUJEMLPXDC-QWHCGFSZSA-N 289.331 1.045 0 50 CDAA CCOCc1nc(C(=O)N(C)[C@@H](CC)C(=O)O)cs1 2325812533 JLSYSWYVRIKIQC-VIFPVBQESA-N 286.353 1.615 0 50 CDAA CCCn1ccc(=NC(=O)[C@@H]2C[C@H]2C2CCC(N)CC2)[nH]1 2325848305 DEKVLFWBZWDBHY-CLRIEMFWSA-N 290.411 1.807 0 50 CDAA CN(C)c1ccc(NC(=O)c2nc3ncccn3n2)cc1 339002 SSCFOZAWIDOYIG-UHFFFAOYSA-N 282.307 1.443 0 50 CDAA CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc21 2382776 CXWYCAYNZXSHTF-UHFFFAOYSA-N 256.279 1.222 0 50 CDAA in-vitro Nc1c(C(=O)O)cnn1-c1ccc(Br)cc1 2522165 LETBMJDJOXXFJY-UHFFFAOYSA-N 282.097 1.915 0 50 CDAA C[C@@H](NC(=O)c1c(Cl)cnn1C)[C@@H]1CCCO1 2778618 BHSJAKOKBWUYFJ-APPZFPTMSA-N 257.721 1.371 0 50 CDAA Cc1[nH]c(SCc2ccccc2)nc(=O)c1CC(=O)O 4920278 VWKRHLBOPVIKHJ-UHFFFAOYSA-N 290.344 1.998 0 50 CDAA O=C(NCc1ccco1)c1cnc2sccn2c1=O 6472898 IMPAMTMRYWLXPW-UHFFFAOYSA-N 275.289 1.279 0 50 CDAA CNc1cc(S(=O)(=O)N2CCCC2)ccc1OC 8794052 OVAAMLDLZYKMAP-UHFFFAOYSA-N 270.354 1.521 0 50 CDAA COCC[C@@H](CO)NC(=O)Cn1cc(C)c2ccccc21 225624989 RGZMJMULUIZHPE-ZDUSSCGKSA-N 290.363 1.463 0 50 CDAA C[C@H](NC(=O)[C@H](O)c1cnn(C)c1)c1ccc(F)cc1F 225797873 JDNSMSKASSYPMK-ISVAXAHUSA-N 295.289 1.609 0 50 CDAA Cc1cc(=O)c(C(=O)NCc2cn3c(C)cccc3n2)c[nH]1 172803478 YKZHQYLEAPAOPT-UHFFFAOYSA-N 296.330 1.569 0 50 CDAA COc1ccc(C)cc1[C@H](C(=O)O)N1CCCOCC1 63883623 YHHUKUOQLOUYKE-CQSZACIVSA-N 279.336 1.852 0 50 CDAA Cc1cc(C)nc(Cn2ncc(N3CCCC3)cc2=O)n1 23429706 KHRXPGSVDMNHDZ-UHFFFAOYSA-N 285.351 1.299 0 50 CDAA COc1cc(F)c(CN2CCC(=O)NC[C@H]2C)cc1OC 67967084 JVFHBGPTFIPMIX-SNVBAGLBSA-N 296.342 1.553 0 50 CDAA Cc1noc([C@@H]2CCN(C(=O)c3c[nH]nc3C(C)C)C2)n1 347436535 KLWABZLVDRUSPP-SNVBAGLBSA-N 289.339 1.854 0 50 CDAA CSc1ncc(CN2CCC([C@H](C)O)CC2)cn1 215948625 GJFRITWZPXKJTJ-JTQLQIEISA-N 267.398 1.791 0 50 CDAA Cc1cccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 20408085 GGSLQKPHCLPKCP-MRXNPFEDSA-N 288.391 1.818 0 50 CDAA Cc1ccc2cc(CN3CCC[C@@H](C(N)=O)C3)c(=O)[nH]c2c1 67642262 UJDREUKDZRXXDX-CYBMUJFWSA-N 299.374 1.534 0 50 CDAA CCS(=O)(=O)c1cccc(N[C@@H](C)COC)c1 123781313 MHJUYCKGHAANOT-JTQLQIEISA-N 257.355 1.927 0 50 CDAA CC(C)Oc1cccnc1C(=O)N1C[C@@H](C)[C@](C)(CN)C1 423976852 TYNVRJZQXWIPTM-MLGOLLRUSA-N 291.395 1.926 0 50 CDAA C[C@H]1CN([C@H](C)CNC(=O)[C@@H]2CC=CCC2)C[C@@H](C)O1 229576600 PFUMOTIAFCIVSI-APIJFGDWSA-N 280.412 1.957 0 50 CDAA CC(=O)NN1C(=O)O[C@](C)(CCc2ccccc2)[C@]1(C)O 1428745 CEXMGSIQMIFMRG-CABCVRRESA-N 292.335 1.590 0 50 CDAA CCCC1(CO)CCN(Cc2cnc(N(C)C)nc2)CC1 215669536 TYGSSYHXKYKWER-UHFFFAOYSA-N 292.427 1.917 0 50 CDAA O=C(CN1CCCC1)N1CCCC[C@@H]1CCn1ccnc1 77456198 GTWQSTIVQCENSY-OAHLLOKOSA-N 290.411 1.750 0 50 CDAA C/C(=C\C(=O)N(CC(=O)O)C1CCOCC1)C1CC1 328593024 SKJGXJVFMOFHSW-CSKARUKUSA-N 267.325 1.435 0 50 CDAA CCNC(=O)[C@H]1CCN(c2cc(CC)nc3ccnn23)C1 72421769 JOLFLWIIEYIXCP-NSHDSACASA-N 287.367 1.254 0 50 CDAA NC(=O)c1noc([C@H]2CCCN2Cc2ccsc2)n1 328632894 LOKBGSHTGPUVGD-SECBINFHSA-N 278.337 1.567 0 50 CDAA Cc1ccn(-c2ccccc2NS(=O)(=O)N(C)C)n1 126109122 HKKTWGUZIYGDJI-UHFFFAOYSA-N 280.353 1.399 0 50 CDAA CCc1oncc1C(=O)N1CC[C@H](N(CC)CC)C1 216127831 HNJDVIOZLRWILR-NSHDSACASA-N 265.357 1.793 0 50 CDAA O=C(O)C1(C(=O)N2CCC(OC3CCCC3)CC2)CC1 154844279 CUQWNBUCCUFTJM-UHFFFAOYSA-N 281.352 1.801 0 50 CDAA CCCn1ccnc1CN1CCC[C@H](c2ncn[nH]2)C1 215450422 VXDACKPRWBBQKL-LBPRGKRZSA-N 274.372 1.791 0 50 CDAA Cc1csc(CCCCNC(=O)[C@H]2C[C@@H]2C(=O)O)n1 262569571 CGBHNUGWINWALS-UWVGGRQHSA-N 282.365 1.611 0 50 CDAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)C1=CCCCO1 371346385 WNNOTHBFJJXCNX-LBPRGKRZSA-N 291.351 1.621 0 50 CDAA Cc1nc(CCN2C(=O)CC3(CCC3)C2=O)cs1 333574708 SLIAJKLDPQKASS-UHFFFAOYSA-N 264.350 1.923 0 50 CDAA C[C@@H]1C[C@H](O)CN(C(=O)Cc2ccc3c[nH]nc3c2)C1 333503458 KRAXQLMGSNLWEU-MFKMUULPSA-N 273.336 1.335 0 50 CDAA CSc1ncc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cn1 219235678 JVKIMZTYCPUTTC-UTLUCORTSA-N 265.338 1.106 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@H](N)C1CCOCC1 262117166 WBFAVGUESWCDPL-HZSPNIEDSA-N 298.427 1.450 0 50 CDAA C[C@@H](CN(C)C(=O)c1ccn(C2CCCC2)n1)C(=O)O 237417081 FKYXFNLOUUZDLN-JTQLQIEISA-N 279.340 1.791 0 50 CDAA N=C(O)[C@@H]1CN(c2nc(C3CCCC3)ns2)CCN1 333881404 UOUZWYJKDLVPAT-VIFPVBQESA-N 281.385 1.509 0 50 CDAA Cn1ccc2c(-c3ccc(S(N)(=O)=O)s3)ccnc21 77340454 ADAYOBKZBIVWSQ-UHFFFAOYSA-N 293.373 1.949 0 50 CDAA COCc1ncc(-c2nccn2CCN(C)C)cn1 71721356 YRRHHUHJCPBULE-UHFFFAOYSA-N 261.329 1.048 0 50 CDAA Cn1nccc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 335017263 SMMFPUORYRVEGP-GXTWGEPZSA-N 289.310 1.507 0 50 CDAA CC[C@H](NC(=O)c1csc(N)n1)[C@H]1C[C@@H](O)C1 220390853 TURYWKBHXLOEGZ-FXQIFTODSA-N 255.343 1.005 0 50 CDAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccc(F)cn1 284481659 FPPAUQKEYLDARC-GUTXKFCHSA-N 280.343 1.977 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1nc(C)c[nH]1 223502419 TZKAYHLLBOSFLB-SECBINFHSA-N 262.317 1.211 0 50 CDAA CC[C@H](NC(=O)C(C)(C)NC(C)=O)c1ccncc1 426497198 JDINBPRHFBHPOK-LBPRGKRZSA-N 263.341 1.564 0 50 CDAA C[C@]1(C(=O)NCCc2nc3c(s2)CCC3)CCCO1 426549133 IWWUBPSCINLUQB-CQSZACIVSA-N 280.393 1.860 0 50 CDAA C[C@H](NC(=O)[C@@H]1COCCN1)[C@H](C)C1CCCCC1 161587077 QKEMOOOTKVUYBQ-OBJOEFQTSA-N 268.401 1.696 0 50 CDAA C[Si](CCN1CC1)(CCN1CC1)c1ccccc1 195791282 ARIURAZTSRXJKY-UHFFFAOYSA-N 260.457 1.603 0 50 CDAA CC[C@@H](C(=O)NCc1cn2c(n1)SCC2)n1cccn1 91655930 NLKRGDHFRHTSBK-NSHDSACASA-N 291.380 1.453 0 50 CDAA CNC(=O)Cn1cc(NC(=O)c2cc(F)ccc2C)cn1 194354167 MHHGSVDTPOPOLT-UHFFFAOYSA-N 290.298 1.329 0 50 CDAA CC(C)n1nccc1-c1cc(N2CCOCC2)nc(=N)[nH]1 426668942 DRHFMJDFSOVKSF-UHFFFAOYSA-N 288.355 1.170 0 50 CDAA Cc1nonc1CN1CC[C@]2(CCCN(C(C)C)C2=O)C1 92077494 LHUFXAOCEXYZER-OAHLLOKOSA-N 292.383 1.601 0 50 CDAA O=C(OCc1ccccc1)N1CCO[C@@H](CCO)C1 141010745 JLXGHWHTUOCXQX-ZDUSSCGKSA-N 265.309 1.406 0 50 CDAA COc1ccc(NC(=O)N[C@H]2CCN(C)C2=O)cc1Cl 97475612 NIVILQSRVXYHRU-JTQLQIEISA-N 297.742 1.701 0 50 CDAA NC[C@H]1CCN(C(=O)CCOc2ccccc2Cl)C1 178538233 IITTUKXVNOAOEP-LLVKDONJSA-N 282.771 1.916 0 50 CDAA COCCN1C[C@@H](Cc2cc(C)cc(C)n2)CC1=O 244873361 WOVNKVGIKYNIBS-ZDUSSCGKSA-N 262.353 1.736 0 50 CDAA Cc1nc2ccc(N3CC[C@@]4(CCCN(C)C4)C3)nn2n1 292892591 VZRHWSJXDUBODP-OAHLLOKOSA-N 286.383 1.355 0 50 CDAA O=C(Cn1cccn1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 248756097 JLCVRHMLKRBYTL-XGFWRYKXSA-N 259.353 1.824 0 50 CDAA N[C@H]1CN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@@H]1c1ccccc1 244748621 OLEVCGCDVPLNMY-QXSJWSMHSA-N 288.391 1.491 0 50 CDAA CCC[C@H](N)C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 299740097 VQNUWUXIESAUJJ-TUVASFSCSA-N 297.443 1.214 0 50 CDAA O=C(NC[C@@H](O)[C@@H]1CCOC1)c1ccnc2ccccc12 522977425 FAHQUEWCXHEJHK-IAQYHMDHSA-N 286.331 1.362 0 50 CDAA COc1cc(NC2=CC(=O)NC2)ccc1NC(C)=O 524735070 SNJOSXRWCMQQMO-UHFFFAOYSA-N 261.281 1.079 0 50 CDAA C[C@H](C(=O)NCCn1cccn1)n1cnc2ccccc21 346047508 QATQVXDYCRIOBU-GFCCVEGCSA-N 283.335 1.610 0 50 CDAA CN1CCC(OCCCN[C@@H]2CCCSC2)CC1 534665973 LOTIRVSQTPDIJY-CYBMUJFWSA-N 272.458 1.973 0 50 CDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 299752566 UPGKPVKNKFDIFR-RMRHIDDWSA-N 295.379 1.905 0 50 CDAA O=C(c1cncc(F)c1)N1CCC[C@H]1Cn1ccnn1 299742694 IMLYSDDSZXIFCR-LBPRGKRZSA-N 275.287 1.117 0 50 CDAA Cc1cccn2c(CNC(=O)[C@H]3CCOC3)cnc12 534644255 OXURFBYUONHICQ-NSHDSACASA-N 259.309 1.295 0 50 CDAA O=C(CN1CCCCCCC1)N1C[C@@H]2CC[C@H]1CNC2 534631128 DYXXOSIGZAUFCZ-CABCVRRESA-N 279.428 1.463 0 50 CDAA CCN1CCC[C@@]2(CCCN(C(=O)Cn3ccnn3)C2)C1 299772062 XHWASUNCBYGWNH-OAHLLOKOSA-N 291.399 1.003 0 50 CDAA Cc1cccnc1C[C@H](C)NC(=O)CCc1cc(O)no1 299778799 HKBLOROBLCFNPV-NSHDSACASA-N 289.335 1.764 0 50 CDAA COCCNC(=O)[C@H]1CC(Cc2cccc(OC)c2)=NO1 299770454 UFJGYALGFBSNMI-CQSZACIVSA-N 292.335 1.145 0 50 CDAA O=C(NCc1nc2ccccc2o1)C1CCOCC1 560630932 YTCXIPJONRTFGT-UHFFFAOYSA-N 260.293 1.871 0 50 CDAA CCCc1cc(-c2nc(C)nn2CCCO)no1 823021529 GSCFEXXNVAWMOL-UHFFFAOYSA-N 250.302 1.576 0 50 CDAA Cc1nn(C)cc1CN(C)C(=O)COC[C@@H]1CCCCO1 584894320 BEFXGKCDHUBCHR-AWEZNQCLSA-N 295.383 1.273 0 50 CDAA Cc1ccc(-n2cccn2)c(CN2CC3(CNC(=O)N3)C2)c1 828305118 FNBNDQMWSBNRDZ-UHFFFAOYSA-N 297.362 1.048 0 50 CDAA CCCc1nnsc1C(=O)N(C)Cc1noc(CC)n1 584899526 BBXICTMSCGZSTA-UHFFFAOYSA-N 295.368 1.708 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)CN(C)C1CCCC1 670436353 XOAMZBQYKGWVDR-GFCCVEGCSA-N 293.415 1.911 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@H](C)Cc2cccs2)n1 952963034 FCZHHXKTSFHNGT-SECBINFHSA-N 278.381 1.583 0 50 CDAA CN(Cc1ccc(F)cc1)C(=O)[C@H]1NCc2ncncc21 1553370206 RKQULGYRMFRXLS-AWEZNQCLSA-N 286.310 1.419 0 50 CDAA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1 90471009 AULIHHKCGONFAV-VIFPVBQESA-N 275.370 1.902 0 50 CDAA in-vitro CC1(C)C[C@@H](NC(=O)COc2ccc(CO)cc2)CCO1 408517148 AEJAIFNPMGJWLQ-ZDUSSCGKSA-N 293.363 1.632 0 50 CDAA C[C@H](C(=O)NCc1ccoc1)n1nnnc1C(C)(C)C 272260545 QHWDAKXENQHQNH-SECBINFHSA-N 277.328 1.441 0 50 CDAA CC(=O)N1CCc2c(NCc3ncc[nH]3)cccc21 545975928 OTBXMGIFXHYXOD-UHFFFAOYSA-N 256.309 1.931 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCN[C@H](C)C1)C2 188383972 OLKCDDOWNZCUJD-IUODEOHRSA-N 274.364 1.427 0 50 CDAA O=C(CN[C@@H](c1ccccc1)C1CC1)N=c1cco[nH]1 644330729 ONERJVUZPYWBNU-HNNXBMFYSA-N 271.320 1.776 0 50 CDAA Cc1noc([C@H]2CN(C[C@]3(C)CCCS3)CCN2C)n1 583651489 NQTHMCMBEXTWSL-OCCSQVGLSA-N 296.440 1.952 0 50 CDAA Cc1nc2ncnn2c(NC[C@H](O)c2cccnc2)c1C 584908168 ZIEILPRYUBUMOX-LBPRGKRZSA-N 284.323 1.282 0 50 CDAA CN(CCOC(=O)C[C@H]1COC(=O)C1)Cc1ccccc1 585087038 ADWUKQAMRLCUOZ-CQSZACIVSA-N 291.347 1.615 0 50 CDAA CC[C@H]1CN(c2nc(O)c3cnn(C)c3n2)[C@@H](CC)CO1 585090408 LDLKJWQBHLQUCQ-UWVGGRQHSA-N 291.355 1.463 0 50 CDAA Cc1nonc1CN1CCCN(c2ccncc2)CC1 585089989 WVTGMKGFSZBLQB-UHFFFAOYSA-N 273.340 1.485 0 50 CDAA NC(=O)c1nc2cc(NC(=O)[C@H]3CCCO3)ccc2o1 585126002 KWWWJOUOYIAZCQ-SNVBAGLBSA-N 275.264 1.044 0 50 CDAA Cc1cccc(CNC(=O)[C@H]2NCCOc3ccccc32)n1 1615614883 MFOLYEPOZZLVFJ-INIZCTEOSA-N 297.358 1.730 0 50 CDAA C[C@H](C(=O)O)N(Cc1cccc(F)c1)Cc1cn(C)nn1 1616035893 IDXIFPXSQMOUAM-SNVBAGLBSA-N 292.314 1.430 0 50 CDAA CC(C)Cc1cc(CN=c2nn[nH]n2-c2ccccc2)on1 1506422002 YOOGZNLCHQCQTB-UHFFFAOYSA-N 298.350 1.883 0 50 CDAA CS(=O)(=O)c1ccc(C(=O)CCC(=O)O)cc1 156343 LOIRMIGGBFNYOZ-UHFFFAOYSA-N 256.279 1.138 0 50 CDAA in-vitro Cn1cc(N2CCN(CCCC(C)(C)C)CC2=O)cn1 225450237 RHOAKRCYXPDVOY-UHFFFAOYSA-N 278.400 1.895 0 50 CDAA COc1cccc(OCCN2CCCC[C@@H]2CO)c1 132246705 FCYUGUGFVVSBDC-CYBMUJFWSA-N 265.353 1.921 0 50 CDAA C[C@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccsc1 669900593 XVLLNAVLPNLHIE-WCBMZHEXSA-N 252.339 1.594 0 50 CDAA CC(=O)c1cnc(N2CC(c3ccccn3)C2)nc1C 1772701233 DAOJBPOYROQVQR-UHFFFAOYSA-N 268.320 1.986 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC[C@H]1C1(O)CC1 1772807036 IDVXBXHROJBECC-LBPRGKRZSA-N 263.341 1.248 0 50 CDAA C[C@H](NC(=O)c1c(O)cccc1F)c1nnc(N)s1 1772809664 BXMCVRIJZDZVNP-YFKPBYRVSA-N 282.300 1.456 0 50 CDAA Cc1cc(C)n(C2CN(C[C@@H]3CCC(=O)N(C)C3)C2)n1 1775981202 QTKHICRSFUXXOE-CYBMUJFWSA-N 276.384 1.225 0 50 CDAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNC1CC1 12592915 QLKLEGCSOGXXER-MRXNPFEDSA-N 292.354 1.431 0 50 CDAA O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 16604479 NNMTUBBMSYLZME-CQSZACIVSA-N 288.347 1.150 0 50 CDAA Clc1ccccc1CNCCN1CCOCC1 19871927 KFPXXAQGXWOOFL-UHFFFAOYSA-N 254.761 1.762 0 50 CDAA Cc1cnnc(N2CCC[C@]3(CC2)CN(C)C(=O)O3)c1C 1857680637 RFQKREUGZJFCFH-HNNXBMFYSA-N 290.367 1.905 0 50 CDAA COCCN(C(=O)[C@@H]1CC[C@@H]1C(=O)O)c1ccccc1 911452977 WYNXGXOZUHCFRM-OLZOCXBDSA-N 277.320 1.777 0 50 CDAA CC(C)(C)OC(=O)Nc1ccc(C[C@H](N)C(=O)O)cc1 2385592 QRMNAMRCSPROFV-NSHDSACASA-N 280.324 1.988 0 50 CDAA in-vitro O=C(c1cc[nH]n1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 225528545 IUGDMTIHFFQWSG-TVQRCGJNSA-N 293.273 1.636 0 50 CDAA CCc1cccc(C(=O)N[C@H](CO)C2CCCC2)n1 451873266 UZFYXYAUZVXQQL-CQSZACIVSA-N 262.353 1.925 0 50 CDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1COCCO1 245289751 DVWSYNDYXTYWAB-SWLSCSKDSA-N 290.363 1.269 0 50 CDAA C[C@@H](CC(=O)Nc1cc(C(N)=O)[nH]n1)c1ccccc1 676107784 ZVSRCXJNKGHMMJ-VIFPVBQESA-N 272.308 1.641 0 50 CDAA Cn1ccc(-c2noc([C@@H]3C[C@H]3c3cnc[nH]3)n2)n1 901980067 LDEWSYDEYQGQHL-HTQZYQBOSA-N 256.269 1.464 0 50 CDAA C[C@@]1(O)CCOC2(CCN(CCC(F)(F)F)CC2)[C@H]1O 1704345094 VXDMJQNSBFZYSV-WDEREUQCSA-N 297.317 1.306 0 50 CDAA C[C@H](CN(Cc1ccccc1)C(=O)c1cn[nH]c1)C(=O)O 908837125 LDTSSSLCKZPXQI-LLVKDONJSA-N 287.319 1.773 0 50 CDAA Cc1ccccc1CCNC(=N)N1CCO[C@@H](C)C1 848981837 KTEBNKBKCYCUAU-ZDUSSCGKSA-N 261.369 1.783 0 50 CDAA O=C(O)c1nc2c(cc1Br)OCCO2 1857787506 YTHADDJUFXVBOF-UHFFFAOYSA-N 260.043 1.314 0 50 CDAA O=C(O)[C@@H](CNc1ncc(Cl)cn1)C1CCOCC1 863734895 WHZSEZRVMFUJLO-JTQLQIEISA-N 285.731 1.669 0 50 CDAA CCOc1cc(N2C[C@@H]3CN(C)CC[C@H]3C2)ncn1 952991648 FUOIOFQEIDEHDL-RYUDHWBXSA-N 262.357 1.263 0 50 CDAA Cc1nccc(N2CC3(CCOCC3)CC[C@@H]2CO)n1 1875288012 JRBVBBRHSDZQKI-CYBMUJFWSA-N 277.368 1.543 0 50 CDAA CCCO[C@@H]1CCCC[C@H]1NC(=O)CCCc1nn[nH]n1 1875302208 DPASBALJVJHWBD-VXGBXAGGSA-N 295.387 1.376 0 50 CDAA NCc1cccc(CNC(=O)c2cc([C@@H]3CCCN3)[nH]n2)c1 1875316039 RQCGJKVNPJQWMT-ZDUSSCGKSA-N 299.378 1.223 0 50 CDAA Cc1nc2ccccc2c(C(=O)N2CC[C@@H](C(N)=O)C2)c1C 1875316619 CNDWSSBQFQKIEH-GFCCVEGCSA-N 297.358 1.799 0 50 CDAA CC(C)C(=O)NC[C@@H]1CN(c2ccccn2)CCCO1 888103703 UMKAORHERJQAEO-CYBMUJFWSA-N 277.368 1.449 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CCOC12CCCCC2 888309131 AAUXTUBROBNVER-CYBMUJFWSA-N 294.395 1.629 0 50 CDAA Cn1nccc1[C@H]1CCCN(c2nccn3ccnc23)C1 891915118 FQZLHUXKQFVXIO-LBPRGKRZSA-N 282.351 1.847 0 50 CDAA CCN(CCCN[C@H](C)c1ccsn1)S(C)(=O)=O 1775990386 FMNLYOGSWRAGJO-SNVBAGLBSA-N 291.442 1.465 0 50 CDAA Cn1cnnc1C1CCN(C[C@@H]2CCCOC2)CC1 252510275 ZFXUVALOFJFEEO-LBPRGKRZSA-N 264.373 1.421 0 50 CDAA C[C@H](C(=O)O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 265203902 BQGNYDKFTZASOV-SKDRFNHKSA-N 296.754 1.850 0 50 CDAA CCNc1ccnc(N2CCO[C@@H](CCOC)C2)n1 65536303 MHAQKMWZHAZFMV-NSHDSACASA-N 266.345 1.150 0 50 CDAA COCC1(CNC(=O)[C@@]2(C)CCCNC2)CCCC1 584884611 ATHUGVURPQYWJH-AWEZNQCLSA-N 268.401 1.699 0 50 CDAA CCCN1CC[C@@H](NS(=O)(=O)c2ccccc2F)C1 390108379 BKUXTAXSYFVJOH-LLVKDONJSA-N 286.372 1.588 0 50 CDAA O=C(Nc1cccc2nsnc12)c1cnsn1 129587 TVZVMEMWRXYTEN-UHFFFAOYSA-N 263.307 1.795 0 50 CDAA Cc1nn(C(C)C)c(C)c1C(=O)NCc1cnon1 2325774524 VFSUZFBKSGNPJF-UHFFFAOYSA-N 263.301 1.394 0 50 CDAA CC1(C)C[C@H](C(=O)N2CC(O)C2)CN1Cc1ccccc1 2325807634 IWYAIPXLEZIGPX-AWEZNQCLSA-N 288.391 1.490 0 50 CDAA Cc1c(CNS(=O)(=O)N(C)C)noc1-c1ccccc1 2325812322 GZTUYMQQSGICFQ-UHFFFAOYSA-N 295.364 1.546 0 50 CDAA c1cn([C@H]2CCCN(c3ccc4nccnc4n3)CC2)nn1 895103898 CZJYQHMYZYOUFV-LBPRGKRZSA-N 295.350 1.848 0 50 CDAA CCN(CC)c1nc(Cl)nc(N2CCOCC2)n1 198461 MPKICYXTKHBJTK-UHFFFAOYSA-N 271.752 1.208 0 50 CDAA COC(=O)c1cccc(NC(=O)c2ccc[n+]([O-])c2)c1 283914 YFXGLUHJHWNAGZ-UHFFFAOYSA-N 272.260 1.359 0 50 CDAA COc1ccc(NC(=O)Nn2cnnc2)cc1OC 609462 CMWXFZRBVBYWNF-UHFFFAOYSA-N 263.257 1.071 0 50 CDAA CCOC(=O)c1ccc(NC(=S)NCCCO)cc1 2768238 BWXSILSVPXFKOG-UHFFFAOYSA-N 282.365 1.532 0 50 CDAA CC(C)(C)OC(=O)NC(=N)n1nnc2ccccc21 6159256 NGFWAERTDCPSEK-UHFFFAOYSA-N 261.285 1.739 0 50 CDAA COC(=O)c1ccccc1NC(=O)CSc1ncn[nH]1 6520447 MRYHYHRSJQIPFM-UHFFFAOYSA-N 292.320 1.322 0 50 CDAA Cc1ccccc1NS(=O)(=O)c1cn(C)nc1C 6700437 UKHWCYNZPVRSMW-UHFFFAOYSA-N 265.338 1.838 0 50 CDAA CCOc1cccc(C(=O)NCCCn2cncn2)c1 55323215 HRJUYVFJEPIAEB-UHFFFAOYSA-N 274.324 1.497 0 50 CDAA Cc1cc(=O)[nH]c(SCC(=O)N2CCCCC2)n1 9056921 WFMGBTHOOFBDPH-UHFFFAOYSA-N 267.354 1.183 0 50 CDAA Cn1cc(CC(=O)N[C@@H]2CCOC(C)(C)C2)c(Cl)n1 814413367 HCOCIYIOUPFMEF-SNVBAGLBSA-N 285.775 1.690 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cccc(-c3n[nH]c(C)n3)c2)C1 133624157 YQVAXZNXBLPYLZ-AWEZNQCLSA-N 299.378 1.604 0 50 CDAA CCN(CCN(C)C)c1nccc(-c2cnn(C)c2)n1 23130150 AGPULBIYIOWJMX-UHFFFAOYSA-N 274.372 1.265 0 50 CDAA C[C@H]1C(=O)OC[C@H]1C(=O)NCc1ccc2ncccc2c1 20915062 IVDINHWPFPWQQI-ZWNOBZJWSA-N 284.315 1.660 0 50 CDAA Cc1ccc(OCC(N)=O)c(-n2ncc3cccnc32)c1 67909667 FVAKTNRYBLTELF-UHFFFAOYSA-N 282.303 1.593 0 50 CDAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccc2[nH]ccc12 67847816 NTQRMNNIAXGAFN-DOMZBBRYSA-N 286.379 1.206 0 50 CDAA COCCN(CCOC)C(=O)c1cc(C)nc(C)c1 216522632 RWHDCKDMQRMFAH-UHFFFAOYSA-N 266.341 1.433 0 50 CDAA Cn1cnnc1[C@H]1CN(Cc2cccc3cc[nH]c23)CCO1 328654097 XEHXYJCWEAJFKD-CQSZACIVSA-N 297.362 1.870 0 50 CDAA CC(C)n1cnnc1CN(C)c1ncnc2[nH]ccc12 77284634 ICYTZIHKSDEAHE-UHFFFAOYSA-N 271.328 1.767 0 50 CDAA CN(C)[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 72147726 QRDOIOWRQSMEDB-GFCCVEGCSA-N 276.384 1.843 0 50 CDAA O=C(c1ccc2c(c1)CCC2)N1CCO[C@@H](c2ncon2)C1 363785208 YYEDWLRHWZNEMH-CQSZACIVSA-N 299.330 1.772 0 50 CDAA NC(=O)c1cccc2c1CCCN2CCC1OCCO1 124786120 BUIJMVKJDJMEGP-UHFFFAOYSA-N 276.336 1.301 0 50 CDAA Cc1nc([C@@H](C)NC(=O)Cc2cccc(F)c2)n[nH]1 216258283 FASYJXBTAKJDIL-MRVPVSSYSA-N 262.288 1.672 0 50 CDAA CN(CCC1OCCO1)[C@@H](C(N)=O)c1cccc(F)c1 124902377 YOINNGVCQUGRNY-CYBMUJFWSA-N 282.315 1.047 0 50 CDAA C[C@@H]1CN(C(=O)Cc2ccc(-n3cccn3)cc2)C[C@@H](C)N1 153799776 SWWVKUACALATRO-ZIAGYGMSSA-N 298.390 1.624 0 50 CDAA CCn1ncnc1CN1C[C@@H](CO)Oc2ccccc21 365345473 SIERKWHLDFLZPQ-NSHDSACASA-N 274.324 1.058 0 50 CDAA Cc1noc(-c2ccnc(N3CC[C@@](F)(CO)C3)c2)n1 367215260 ZNCYUSJSWXEYDC-ZDUSSCGKSA-N 278.287 1.351 0 50 CDAA CN(C)c1cc(N2CCO[C@@H](C(F)(F)F)C2)ncn1 71422485 DBGHMACCTSNEMM-MRVPVSSYSA-N 276.262 1.310 0 50 CDAA O=C(c1cnc[nH]1)N1CCCC[C@@H]1CN1CCCC1 219636112 AOBWYLAZWVXBBF-GFCCVEGCSA-N 262.357 1.500 0 50 CDAA CCOC(=O)CNC(=O)N1CCC[C@H]1c1cc(CC)no1 35511465 XHQKHRJPOSFSTF-NSHDSACASA-N 295.339 1.647 0 50 CDAA CCCc1nc(C)cc(N2CCC[C@](O)(CO)CC2)n1 72161124 YGINNBDFKDZVIO-OAHLLOKOSA-N 279.384 1.451 0 50 CDAA Cc1ccc(CC(=O)N[C@@H]2CCN(C)C2=O)c(Cl)c1 336362423 UXMADJRRVBIOBT-GFCCVEGCSA-N 280.755 1.538 0 50 CDAA CC[C@@H](NC(=O)c1cc(C)[nH]c(=O)c1)c1ncc(C)[nH]1 216230632 PUAQARBMFZGRFK-LLVKDONJSA-N 274.324 1.596 0 50 CDAA CC(=O)N1CCC[C@@H](CN=c2cccc(-n3ccnc3)[nH]2)C1 373682411 FLHUJJJTOZSRDF-AWEZNQCLSA-N 299.378 1.360 0 50 CDAA Cc1nc(C)n(-c2ccc(C(=O)N3CCC[C@@H](N)C3)cc2)n1 158603384 OAMKLXVSBMWJRC-CQSZACIVSA-N 299.378 1.447 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccccc2F)C1 334528197 NIUSRXNORLCESC-UWVGGRQHSA-N 253.273 1.048 0 50 CDAA CC(C)(C)n1ncnc1Cn1nnc(-c2ccsc2)n1 282275292 ULEKUKUTNYFMKD-UHFFFAOYSA-N 289.368 1.796 0 50 CDAA O=C(O)C[C@@H]1COCCN1Cc1n[nH]c2ccccc12 1601965675 RZCDNZONMNXLHA-SNVBAGLBSA-N 275.308 1.238 0 50 CDAA CCCOC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 40451231 BOVXDZQCJJCKIU-LLVKDONJSA-N 291.303 1.691 0 50 CDAA CCc1ccc(CCN2CC[C@](O)(c3c[nH]nn3)C2)cc1 284997442 ZLJWJJIGWYJBPG-MRXNPFEDSA-N 286.379 1.503 0 50 CDAA COC(=O)C[C@@]1(NCc2cncc(C)c2)CCCOC1 225501646 XDSFXTUFYWZTNM-HNNXBMFYSA-N 278.352 1.592 0 50 CDAA C[C@@H](Cn1cncn1)C(=O)NCCCc1ccncc1 223025426 VEFQYGHFQVCYSV-LBPRGKRZSA-N 273.340 1.058 0 50 CDAA COc1ncc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cn1 426597423 PHPJEEDQTIYPTE-NIFPGPBJSA-N 273.336 1.603 0 50 CDAA O=C(N=c1cc[nH]cc1)N1CCC[C@H]1Cn1cccn1 608760775 IZPXIJQEIXCXSG-ZDUSSCGKSA-N 271.324 1.397 0 50 CDAA Cc1ccc(CC(=O)N[C@@H](CO)CN2CCCCC2)s1 288487390 LQXNOHSYVKTLBQ-CYBMUJFWSA-N 296.436 1.562 0 50 CDAA CCOCC1(CNC(=O)[C@H](C)n2ccnc2)CCC1 426668297 KLQWQVUHVNBGHO-LBPRGKRZSA-N 265.357 1.767 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1[nH]cnc1-c1ccccc1 426606702 GILKAKIWERZUKC-NSHDSACASA-N 285.303 1.766 0 50 CDAA CCn1nc(C(C)C)cc1C(=O)N(C)[C@@H](C)CC(=O)NC 91931435 XLFUMISVLZSYHN-NSHDSACASA-N 294.399 1.623 0 50 CDAA C[C@@]1(c2ccccc2)CCC(=O)N(CCOCCO)C1 91256043 PLYOVFRZRVIWOA-MRXNPFEDSA-N 277.364 1.576 0 50 CDAA CC(C)c1cc(CN(C)C(=O)CCc2nncn2C)no1 426415272 GBVBIMGVFKSWIS-UHFFFAOYSA-N 291.355 1.518 0 50 CDAA Cc1cc(C)c2[nH]c(CNC[C@@H]3CCCN3)cc(=O)c2c1 95379675 JGXUZSLHSNUQET-ZDUSSCGKSA-N 285.391 1.987 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(F)c(F)c2)[C@H]2C=C[C@H]1O2 239184824 RAUJJXSCNLQUIA-DDHJBXDOSA-N 295.241 1.558 0 50 CDAA COCc1ccc(C(=O)NCCN2CCCC[C@H]2CO)o1 96180710 HFSNBLQZMOGPHC-LBPRGKRZSA-N 296.367 1.003 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c(C)c2)C1 179028671 BTNOMECOJGTQQG-ZDUSSCGKSA-N 299.378 1.257 0 50 CDAA CCC[C@H]1CN(S(=O)(=O)c2c(C)noc2C)C[C@@H]1N 95353158 BYFPKYCTIZDAIJ-QWRGUYRKSA-N 287.385 1.039 0 50 CDAA Cc1cc(C)n(CC2(c3nc4c([nH]3)CCCNC4=O)CC2)n1 95523122 JFZDYWCWSDKQJC-UHFFFAOYSA-N 299.378 1.631 0 50 CDAA CC[C@H](C(=O)N1CCC2(CC1)COC(=O)O2)n1cccn1 91320576 AYDMTHNVLVBPBV-LLVKDONJSA-N 293.323 1.362 0 50 CDAA COCC[C@]1(CO)CCCN(C(=O)c2cc(C)no2)C1 91966359 WRYZOGVAFUMZEW-CQSZACIVSA-N 282.340 1.234 0 50 CDAA CCOP(=O)(C[C@@H](N)[S@](=O)CC)OCC 242495707 GMZBZXWOSQIQKN-VXJOIVPMSA-N 257.292 1.306 0 50 CDAA c1cc2c(cc1Cc1nnc([C@@H]3CCOC3)o1)OCO2 299743140 JXUNEAIHYVQMBM-SNVBAGLBSA-N 274.276 1.893 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)CCO1 299751037 PGVQVKMPALPBBN-LBPRGKRZSA-N 293.250 1.498 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CCCc1ccccc1 828034682 OHDBOCLBBAQLJB-HUUCEWRRSA-N 286.375 1.946 0 50 CDAA CCC(=O)Nc1ccc(OC)cc1NC(=O)CN(C)C 822535835 WAXMQSMQJQLBHX-UHFFFAOYSA-N 279.340 1.544 0 50 CDAA C[C@@H]1CN(Cc2nc(Br)nn2C)C[C@@H](C)O1 585136675 PFCZKJRUNAEWAK-HTQZYQBOSA-N 289.177 1.187 0 50 CDAA C[C@@H](CN1CCCC1)C(=O)N(C)CCC1(O)CCCC1 584899667 OMFPTPHOQRUVLH-AWEZNQCLSA-N 282.428 1.872 0 50 CDAA CCc1nccn1C[C@H](C)NCCCn1ccccc1=O 670455472 TZDIYDAAZCOEHC-AWEZNQCLSA-N 288.395 1.676 0 50 CDAA O=C(N1CCN(CC2CCCC2)CC1)C1(CO)CC1 584902933 MVDNJHOVGVXJKO-UHFFFAOYSA-N 266.385 1.093 0 50 CDAA COc1ccc2nc(CNCc3cnn(C)c3C)[nH]c2c1 952976693 SQQZQCJVJZPDDF-UHFFFAOYSA-N 285.351 1.903 0 50 CDAA O=C(NC[C@H]1CCCN(C(=O)C2CC=CC2)C1)C1CC1 952968086 DWKJBPSUVJCTCO-GFCCVEGCSA-N 276.380 1.717 0 50 CDAA COC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 72194465 BEYPAXFAPGHPIE-GFCCVEGCSA-N 279.292 1.197 0 50 CDAA in-vitro CCOC(=O)c1nn(CCc2ccccc2)c2c1CNCC2 82810595 FHTURHVDVNMGRW-UHFFFAOYSA-N 299.374 1.948 0 50 CDAA COc1ccnc(N2CC[C@@H](OCc3ccncc3)C2)n1 301781196 IZXYGCDAXPTLRF-CYBMUJFWSA-N 286.335 1.676 0 50 CDAA c1ccc2c(c1)CO[C@@]21CCN(c2ncnc3nc[nH]c23)C1 302266014 QTVIWOGDXISXKS-MRXNPFEDSA-N 293.330 1.989 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H](n3cccn3)C2)nc(C)n1 408240339 LWDJICGRHCGELC-GFCCVEGCSA-N 271.324 1.377 0 50 CDAA CCC(=O)Nc1ccc(CCN(CCO)C(=O)CC)cc1 408516677 NRZTZKRAGMGTMG-UHFFFAOYSA-N 292.379 1.809 0 50 CDAA CN1CC[C@H]2CN([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 408518930 KVMLLYUFUXXAOG-ZMSDIMECSA-N 299.418 1.675 0 50 CDAA C[C@@H](Cc1ccsc1)N(C)C(=O)c1cncnc1N 185455430 LLAWHAPLAYXMQN-VIFPVBQESA-N 276.365 1.824 0 50 CDAA Cn1ccnc(N2Cc3ccccc3C3(CC3)C2)c1=O 186375725 QLMMLKGFJNASBC-UHFFFAOYSA-N 267.332 1.832 0 50 CDAA CCCn1ncc(C(=O)N2C[C@@H](O)C3(CC3)C2)c1C1CC1 547982086 VKMNKLSAOSAHCP-CYBMUJFWSA-N 289.379 1.767 0 50 CDAA Cc1cc(Nc2ccn(CC(=O)N(C)C)n2)nc(C)n1 275412898 BFJHAVSLNXEJSY-UHFFFAOYSA-N 274.328 1.122 0 50 CDAA CC1=CCN(C[C@H](O)COc2ccc(C(=O)O)cc2)CC1 572653422 LFFMZYLKKSFBRY-AWEZNQCLSA-N 291.347 1.777 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccoc2)C1 276498453 PFZAWHCMRGUYJZ-AWEZNQCLSA-N 278.352 1.462 0 50 CDAA CO[C@@H]1CCCCC[C@@H]1NC(=O)CSc1nccn1C 170021047 NZZHYYQJXBVNFM-NWDGAFQWSA-N 297.424 1.976 0 50 CDAA CN(CCOC(=O)C[C@@H]1COC(=O)C1)Cc1ccccc1 585087037 ADWUKQAMRLCUOZ-AWEZNQCLSA-N 291.347 1.615 0 50 CDAA Cc1ncsc1C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 170602460 DVEYMHBPHSYCBZ-JTQLQIEISA-N 297.424 1.369 0 50 CDAA C=CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 585140700 JEPRBJJLWKCAOT-SNVBAGLBSA-N 298.264 1.809 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cccc(F)c1C 643854275 XZCRCAODZDBPOI-OAHLLOKOSA-N 295.310 1.840 0 50 CDAA CC[C@H](C(=O)O)N1CCN(c2cc(F)ccc2F)CC1 191435345 DWDRBFGYEUUMNZ-GFCCVEGCSA-N 284.306 1.950 0 50 CDAA Cc1nccn1C[C@H]1CCCN1CCN1CCO[C@H](C)C1 192753373 DIEPXTVZOYWYCS-GDBMZVCRSA-N 292.427 1.377 0 50 CDAA C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cnn(CC(=O)O)c1 647744990 NZHHIDPRYUQMDT-JQWIXIFHSA-N 295.339 1.502 0 50 CDAA Cc1nnc([C@H]2CN(Cc3ccn(C)c3)C[C@@H](C)O2)o1 668650034 SCOHGIHSYLJTEJ-ZWNOBZJWSA-N 276.340 1.679 0 50 CDAA Cc1cc(O)nc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 1615054645 RDEGLELRWHXTJJ-CMPLNLGQSA-N 275.312 1.166 0 50 CDAA Cn1ccc(C2CCN(C(=O)[C@]34CC[C@H]3CNC4)CC2)n1 1615551051 ZWJGSPDIDBCZSX-BBRMVZONSA-N 288.395 1.126 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)c2cncc(O)c2)C1 104425504 LGRMQGXDWSPJIC-CYBMUJFWSA-N 264.325 1.818 0 50 CDAA CN(C)c1nccnc1N(C)CCC[C@H]1CCCO1 1529101564 HUZWPKHSXJBZRN-LBPRGKRZSA-N 264.373 1.938 0 50 CDAA CCN1CCO[C@H](CO)[C@H]1c1ccc(OC)c(OC)c1 1529167748 NUBOKGRWZZCRQL-HUUCEWRRSA-N 281.352 1.458 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc(Cl)c1)C2 1704311699 RAENWJBNYJEESU-YPMHNXCESA-N 280.755 1.287 0 50 CDAA COCC(C)(C)C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1704357821 XMHGVQWPQPVKTP-KGLIPLIRSA-N 292.379 1.428 0 50 CDAA O=C(O)CCCCN1CCC[C@]2(CCC[C@H]2O)C1 1704325502 NLUZLNMKCJEVMW-TZMCWYRMSA-N 255.358 1.868 0 50 CDAA CC(C)C[C@H]1NC(=O)[C@H](c2cccs2)NC1=O 1615545130 DMAXAHWUIYNPPG-SCZZXKLOSA-N 252.339 1.450 0 50 CDAA COC(=O)c1ccc2ncc(Br)n2c1 4024456 UZGCHIJIFAKVNH-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro CNC[C@@H]1CCCN1S(=O)(=O)c1sc(C)nc1C 237161872 OSZFEIWLMVSBHJ-JTQLQIEISA-N 289.426 1.132 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N(CC(=O)O)C1CC1 237400233 AFOCWZSHFDYGNI-ZETCQYMHSA-N 266.297 1.471 0 50 CDAA COC(=O)c1cccnc1I 12471650 CCCNMWCQSYSBJU-UHFFFAOYSA-N 263.034 1.473 0 50 CDAA in-vitro Cc1cc2[nH]c(CN3C[C@H]4C[C@]4(C)C3)cc(=O)n2n1 1772814896 TVCVMCSFRBSHRK-QMTHXVAHSA-N 258.325 1.173 0 50 CDAA COc1nc(N2Cc3ccccc3[C@H](O)C2)ncc1F 1772702678 XHPWTYNSHXYPJN-GFCCVEGCSA-N 275.283 1.678 0 50 CDAA CCc1nc(N)nc(NC[C@@H](CO)Cc2ccco2)c1C 1772709357 GFSVFKFOVGKROL-NSHDSACASA-N 290.367 1.786 0 50 CDAA CN(C)CC[n+]1ccc(C(=O)c2ccccc2)cc1 5004647 OFDUTPNOLJAYKU-UHFFFAOYSA-N 255.341 1.767 0 50 CDAA CC1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 5316143 SISOZWIQJPTXGV-UHFFFAOYSA-N 285.347 1.655 0 50 CDAA CCOC[C@@H](O)CNc1nncc(-c2ccc(C)o2)n1 11932718 IQAKMTDODHPOJR-JTQLQIEISA-N 278.312 1.249 0 50 CDAA Cc1nc(C(=O)NCc2cccnc2N(C)C)cs1 12713211 QEQBKGRDVJORCB-UHFFFAOYSA-N 276.365 1.843 0 50 CDAA O=C(N[C@@H](C(=O)O)n1nnc2ccccc21)c1ccccc1 15771060 IYAIEGFVRIPJEE-CYBMUJFWSA-N 296.286 1.445 0 50 CDAA CN1CCC(NC(=O)COc2ccc(F)cc2)CC1 16604625 OVYIDVYMGILGFC-UHFFFAOYSA-N 266.316 1.415 0 50 CDAA Cc1nsnc1C(=O)N1CCC[C@@]2(CCOC2)C1 1857693362 TWAMHTJDLSRFFG-GFCCVEGCSA-N 267.354 1.489 0 50 CDAA COCCn1cnnc1CN(C)[C@H]1CCC(C)(C)C1 1857680042 FSHVSQGHPSCAAT-LBPRGKRZSA-N 266.389 1.935 0 50 CDAA CO[C@@H]1C[C@@H](C(=O)NCc2ccc(F)cc2F)CC[C@H]1N 1857738533 MILCQEKUNPXMKV-CUOATXAZSA-N 298.333 1.723 0 50 CDAA COCc1noc([C@@H]2CC(=O)N(c3ccccc3F)C2)n1 109599891 IRFGCRAFBWUZDY-SECBINFHSA-N 291.282 1.876 0 50 CDAA CNc1cc(N2CCC[C@@H]2CNc2cc(C)ncn2)ncn1 112555972 XHKOOWPTORZEDH-GFCCVEGCSA-N 299.382 1.698 0 50 CDAA CC(C)CO[C@@H](C)C(=O)Nc1nncn1-c1cccnc1 522027296 SHGHASYQWGIOST-NSHDSACASA-N 289.339 1.662 0 50 CDAA CCn1ncnc1CN1CCC[C@H]1c1ccc(O)nn1 528786667 HBQHKAIBHDNDIO-NSHDSACASA-N 274.328 1.131 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1cccc2c1OCO2 649453032 PHQCNERJWXASMX-FBIMIBRVSA-N 289.287 1.493 0 50 CDAA COc1cnc(C(=O)NCC2([C@H](C)CCO)CCC2)nc1 345439026 GVUIRRVQFOHEJP-LLVKDONJSA-N 293.367 1.404 0 50 CDAA C[C@H]1C[C@@H](C)C[C@H](Nc2ccn(CCC(N)=O)n2)C1 252487426 XPCNHZBMWQKFQB-GDNZZTSVSA-N 264.373 1.995 0 50 CDAA CC[C@](NC(=O)[C@H]1CCCOC1)(C(=O)O)c1ccccc1 262164518 OIVWNMYSDALLMN-BLLLJJGKSA-N 291.347 1.919 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CC(N2CC[C@@H](O)C2)C1 585089867 SEXNGZMDYWTFAF-PWNZVWSESA-N 278.396 1.090 0 50 CDAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCNC(C)C)CC2 161890717 CFVXIRSNAVAVEC-KGLIPLIRSA-N 298.427 1.153 0 50 CDAA CCOC(C)(C)C(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910613215 VTYZMGYLEQQPQP-LOIXOFCESA-N 299.367 1.330 0 50 CDAA O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccon1 920968742 XHEWRKUTYZJVNV-UHFFFAOYSA-N 298.295 1.616 0 50 CDAA CNC(=O)[C@H](CC(C)C)NCc1ccnc(O)c1 921938396 MCNPFWKHMCYJMG-NSHDSACASA-N 251.330 1.038 0 50 CDAA Cc1ccc(F)c(CN2CCOC[C@H]2c2nc[nH]n2)c1F 930379903 IBMGTHWEIKZLOE-LBPRGKRZSA-N 294.305 1.965 0 50 CDAA COCCOc1cccc(C(=O)NCCCN(C)OC)c1 863947815 IQQCXJIHTNCVLF-UHFFFAOYSA-N 296.367 1.325 0 50 CDAA Cc1nc(-c2ccccn2)cc(=NC[C@@H]2CC[C@@H](O)C2)[nH]1 1875261781 HZDSINQQISHADQ-CHWSQXEVSA-N 284.363 1.842 0 50 CDAA Cc1cscc1CNC(=O)N1CC(O)(C(F)(F)F)C1 1875288820 FLRSSPNOMLQXPX-UHFFFAOYSA-N 294.298 1.875 0 50 CDAA Cc1nc(C)c(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)[nH]1 886711750 FLHGQUCASHHPAW-HIFRSBDPSA-N 285.347 1.805 0 50 CDAA O=C(c1ccon1)N1CCOc2ccccc2[C@@H]1CO 887109363 JYVUWHVPOFRUKD-LBPRGKRZSA-N 274.276 1.243 0 50 CDAA O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1ccn2nnnc2c1 888092824 IEWXMPXMNKYJIF-RKDXNWHRSA-N 297.265 1.014 0 50 CDAA CCCCCOCC(=O)NC1CC(O)(C(F)(F)F)C1 888099703 LIFKOTHDOAVVIX-UHFFFAOYSA-N 283.290 1.765 0 50 CDAA CCC[C@H](OC)c1nc(Cc2cnsn2)no1 896869447 ZCIHAMFHQCDZPV-QMMMGPOBSA-N 254.315 2.000 0 50 CDAA Cc1n[nH]cc1-c1nnc(N2CCO[C@H](C(C)C)C2)n1C 1775987687 SDVNMDQRVCSWHI-LBPRGKRZSA-N 290.371 1.375 0 50 CDAA CCOC(=O)c1cc(C(=O)N2CCS[C@H](C)CC2)[nH]n1 1775985596 KGDSSSNMSBAUDT-SECBINFHSA-N 297.380 1.554 0 50 CDAA C[C@H](NC(=O)CN1CCCC1)c1nc2ccccc2[nH]1 252484421 FVTLOGJCFUUUBI-NSHDSACASA-N 272.352 1.836 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(-c3cccnc3)n2C1 259794480 WJINFCGFJGYZCL-SNVBAGLBSA-N 258.281 1.076 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2ccc3sccc3c2)CCO1 262065226 HTPZVCBXHXVVKJ-NSHDSACASA-N 291.328 1.827 0 50 CDAA O=C(O)[C@H]1CC12CCN(C(=O)c1cccnc1)CC2 262412750 YEICUJLQKSTYAK-LLVKDONJSA-N 260.293 1.409 0 50 CDAA Cc1ncsc1CN(C)C(=O)[C@H]1CC(F)(F)CN1 263223592 MJFOCXAPMFTLMJ-MRVPVSSYSA-N 275.324 1.407 0 50 CDAA CC(C)n1cnnc1CN1C(=O)OC(C)(C)C1=O 95520107 MHIJMOPUPQOTLA-UHFFFAOYSA-N 252.274 1.116 0 50 CDAA CCCN(C(=O)c1cccc2cn[nH]c12)[C@H]1CCNC1 178910883 BBXVIKUMDGODNP-LBPRGKRZSA-N 272.352 1.777 0 50 CDAA CSCCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77343667 HQFYFOOIPQMYEI-SNVBAGLBSA-N 253.371 1.869 0 50 CDAA O=C(O)c1ccc(OCCNC(=O)c2ccoc2)cc1 539684415 WWKZTULDWLPWJE-UHFFFAOYSA-N 275.260 1.787 0 50 CDAA CN1CCCC[C@@H]1Cn1c(=O)cnc2ccccc21 95385129 SIDUAHDJXPNJNS-GFCCVEGCSA-N 257.337 1.881 0 50 CDAA O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CC[C@H](c2nn[nH]n2)C1 720626507 DJIPORGKUVUMSQ-NOOOWODRSA-N 273.340 1.118 0 50 CDAA Cc1ccc2cc(CN(C)C[C@@H]3COCCN3)ccc2n1 2325776987 VZLGKTBHJMLZJH-MRXNPFEDSA-N 285.391 1.963 0 50 CDAA C[C@@H]1CC(=O)NC[C@@H]1c1nc(-c2cc[nH]c3nccc2-3)no1 2325783712 WJGPJIKCHNWGJH-KCJUWKMLSA-N 297.318 1.804 0 50 CDAA O=C(O)[C@@H](NCC=C1CCOCC1)C1(O)CCCCC1 2325803599 QAOFEPACEJCBLL-CYBMUJFWSA-N 283.368 1.461 0 50 CDAA Cc1cnc(-c2ccccc2NC(=O)c2n[nH]c(=N)[nH]2)[nH]1 2325862770 HYXKGDHYLLXGOZ-UHFFFAOYSA-N 283.295 1.168 0 50 CDAA NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 66045 VVLXRHCZPNYTMY-UHFFFAOYSA-N 266.256 1.586 0 50 CDAA O=C1NC(=O)C2(COC(c3ccccc3)OC2)S1 974026 HUFCUSSMAFJXLT-UHFFFAOYSA-N 265.290 1.454 0 50 CDAA CN1CCC[C@@]2(CCCN2Cc2cscn2)C1=O 2356155768 MITPTTHGYLSTOG-CYBMUJFWSA-N 265.382 1.730 0 50 CDAA O=Cc1c(I)ccnc1F 2384104 VONGIOGTLFSXDE-UHFFFAOYSA-N 250.998 1.638 0 50 CDAA in-vitro c1ccc(-n2cnnc2)c(OCc2cccc3ncnn23)c1 2356160009 YYBJPOJXVOMOPM-UHFFFAOYSA-N 292.302 1.889 0 50 CDAA COCCCNC(=O)C1CCN(Cc2ccc(C)o2)CC1 2828193 YOFMQQFQZYKMJT-UHFFFAOYSA-N 294.395 1.953 0 50 CDAA C=COCCNC(=O)C(=O)Nc1ccc(F)cc1 2943938 CHNMYPCYIWSKHV-UHFFFAOYSA-N 252.245 1.041 0 50 CDAA COC(=O)C(=CC(Cl)(Cl)Cl)C(=O)OC 3132818 SQHWBKHYFKAPLO-UHFFFAOYSA-N 261.488 1.629 0 50 CDAA NC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 8884402 DFSUKDFEXFNGCM-UHFFFAOYSA-N 294.307 1.725 0 50 CDAA CCOC(=O)C(=O)[C@H]1CCc2cc(OC)ccc2C1=O 100407651 QIRCBDQRVKBZED-LBPRGKRZSA-N 276.288 1.573 0 50 CDAA Cc1cnc(N(C)CCCc2cnn(C)c2)nc1N(C)C 65384376 LBQBBZNCMTWBKD-UHFFFAOYSA-N 288.399 1.654 0 50 CDAA CO[C@H]1C[C@@H](CO)N(Cc2cnn(C(C)C)c2)C1 343992273 WBRIJDKAUGWRCK-STQMWFEESA-N 253.346 1.046 0 50 CDAA O=C(CSc1nnc[nH]1)N[C@@H]1C[C@H]2CC[C@H]1C2 101480563 YGXUPRGOZCRIBN-XHNCKOQMSA-N 252.343 1.202 0 50 CDAA CO[C@H](C(=O)NCCn1ccnc1C)c1ccccc1 52191035 ZTVNJPNQFQICSX-AWEZNQCLSA-N 273.336 1.695 0 50 CDAA CCOC(=O)CSc1nc2[nH]c(=O)cc(O)c2s1 59607160 RVXHEEPTZVWGEO-UHFFFAOYSA-N 286.334 1.345 0 50 CDAA Cc1c(C(=O)Nc2cnccn2)c(=O)[nH]c2ccccc12 170624544 MCMYBKKOBPLQEX-UHFFFAOYSA-N 280.287 1.879 0 50 CDAA COc1ccc(C(=O)[C@@H]2C(=O)N=C3C=CC=CN3C2=O)cc1 136039112 SBSHTNPCRFHQCW-CYBMUJFWSA-N 296.282 1.345 0 50 CDAA CCc1nnc(NC(=O)N2C[C@H]3CCCN3C[C@H]2C)s1 247174730 VLOMGYUAMHSGNV-NXEZZACHSA-N 295.412 1.801 0 50 CDAA CCn1cc(-n2cnc(CCNC(C)=O)c2)c(C)n1 65386193 WYVCUNKKJSGYAJ-UHFFFAOYSA-N 261.329 1.076 0 50 CDAA CC(C)Cc1cc(CNC(=O)C2=NN(C)C(=O)CC2)no1 67804173 BASFUZSUFLTCQQ-UHFFFAOYSA-N 292.339 1.098 0 50 CDAA CCn1c([C@@H]2CCCNC2)nn(CCC=C(C)C)c1=O 67739812 ZPDFYVUHJKAOFY-CYBMUJFWSA-N 278.400 1.888 0 50 CDAA CCOC(=O)Cc1nc(CNc2ccc(C)cc2)n[nH]1 26508074 HIRVQFAMEFSLSV-UHFFFAOYSA-N 274.324 1.831 0 50 CDAA CNc1cnc(-c2noc(C[C@H]3CCOC3)n2)cn1 350416752 DFMJCSXMNLLRJK-MRVPVSSYSA-N 261.285 1.147 0 50 CDAA Cc1c(C(=O)NC(C)C)cccc1N(C)S(C)(=O)=O 65363013 GYIVSLOUWRYGOL-UHFFFAOYSA-N 284.381 1.529 0 50 CDAA O=C(NCc1ccc2nonc2c1)c1cc(C2CC2)n[nH]1 67880755 DOIWKFRZHINEBI-UHFFFAOYSA-N 283.291 1.753 0 50 CDAA CN(CCO)C(=O)c1coc(COc2cccc(F)c2)n1 67840276 KUNIDOKBDDYGEX-UHFFFAOYSA-N 294.282 1.457 0 50 CDAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1Cc1ccc(C)cc1C 65434856 DVSJTLDJEHAEFD-CVEARBPZSA-N 290.407 1.981 0 50 CDAA NC[C@H](c1ccncc1)N1CCC(O)(C(F)(F)F)CC1 35287511 GQQYAXJIHFVCJV-LLVKDONJSA-N 289.301 1.471 0 50 CDAA Cc1nc(CC(=O)N2CCC[C@@H]2Cn2cccn2)cs1 69771185 RZUCKNXIDAQSKT-CYBMUJFWSA-N 290.392 1.882 0 50 CDAA Cc1cc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)n(C)n1 229336868 JHIQXVUMPHXRQY-YPMHNXCESA-N 293.415 1.970 0 50 CDAA Cc1ccc(C)c([C@H](C)NC(=O)CCS(C)(=O)=O)c1 75510730 YOCBXCYWOZEMIP-LBPRGKRZSA-N 283.393 1.915 0 50 CDAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H]1CCOC1 328625434 DDNJBYHVHWYASA-SGMGOOAPSA-N 265.357 1.359 0 50 CDAA COc1ccc2[nH]c(C(=O)N[C@H]3CC[C@H]3N)cc2c1 72143772 WUCXSIUEHJRTFO-PWSUYJOCSA-N 259.309 1.396 0 50 CDAA Cc1nc([C@@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)n[nH]1 215428096 WBIRWTVSWAUSMA-LBPRGKRZSA-N 297.322 1.362 0 50 CDAA C[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@@H](C)N1 154172911 WIMPBMCDIIEPAV-PHIMTYICSA-N 286.335 1.559 0 50 CDAA CS(=O)(=O)N1CCC(CCCn2ccnc2)CC1 330827128 SIDJLNXOAYVOCT-UHFFFAOYSA-N 271.386 1.335 0 50 CDAA Cc1ccc(-n2nnnc2N2CC[C@@H](n3cncn3)C2)cc1 364240652 XPTDWPBTRZWGDR-CYBMUJFWSA-N 296.338 1.014 0 50 CDAA Cc1ccn2cc(CNC(=O)[C@@H](C)n3cncn3)nc2c1 216105181 MCMQDXJBOLCEDE-LLVKDONJSA-N 284.323 1.112 0 50 CDAA N[C@H]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1 158487257 IYARLOJMIUCXNS-ZDUSSCGKSA-N 270.336 1.436 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]12CCCNC2=O 72194175 NQSRGDMKYRGVHK-ZDUSSCGKSA-N 254.330 1.666 0 50 CDAA NCCN(Cc1ccsc1)[C@H]1CC12CCNCC2 262146967 QOHUFLIOGHNMRY-ZDUSSCGKSA-N 265.426 1.651 0 50 CDAA CCN1CCOC[C@@H]1C(=O)NCC[C@H]1CCO[C@@H](C)C1 332865860 NCVCOKBADJMRIO-MELADBBJSA-N 284.400 1.029 0 50 CDAA O=C(Nc1nc2ccsc2s1)N[C@H]1[C@@H]2CNC[C@@H]21 333084410 BHNUAZWFRKOSJW-BDINMYNLSA-N 280.378 1.697 0 50 CDAA Cc1cc(C(=O)NCC(C)(C)C(=O)O)c2[nH]ncc2c1 262272167 UZALZHHIGQVMEC-UHFFFAOYSA-N 275.308 1.712 0 50 CDAA Cn1cc(CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cn1 333585467 UOEWBTCQZATJRV-IGQOVBAYSA-N 285.347 1.160 0 50 CDAA CNC[C@H]1CCCN(C(=O)COc2ccc(F)cc2F)C1 237293170 ZRNLHNSIKXLWIC-LLVKDONJSA-N 298.333 1.802 0 50 CDAA C[C@@H]1CN(C(=O)CS(=O)(=O)C2CC2)C(C)(C)C1 333602479 VKISHLIVOFWDKO-VIFPVBQESA-N 259.371 1.211 0 50 CDAA CC(C)n1ccc(NC(=O)NC[C@H]2CCC[C@@H]2O)n1 280795723 QOVNZTHTETUSHS-MNOVXSKESA-N 266.345 1.747 0 50 CDAA COc1ccc(CC(=O)N(C)Cc2ncc[nH]2)c(OC)c1 70980735 CIVHSDJGTMHBTM-UHFFFAOYSA-N 289.335 1.628 0 50 CDAA COc1coc(C(=O)NC[C@H]2C[C@H](C)O[C@H](C)C2)cc1=O 281820395 XHMGNZZSHSYLSS-JGPRNRPPSA-N 295.335 1.582 0 50 CDAA COc1cc(CN2[C@H](C)CC(O)C[C@H]2C)sn1 521396515 ODRAUKOXYGCVIC-RKDXNWHRSA-N 256.371 1.885 0 50 CDAA COc1cccc(NC(=O)c2cccc(O)n2)c1O 338399085 BOLVSSRDJOHQFM-UHFFFAOYSA-N 260.249 1.754 0 50 CDAA CN(C)C(=O)c1cccc(CN2CC[C@@](F)(CO)C2)c1 338593253 QUPUCUDZASWWPS-HNNXBMFYSA-N 280.343 1.295 0 50 CDAA c1ccc2c(c1)CCN(C1CCN(c3ncncn3)CC1)C2 223281587 IBZFXIPHOIXKSA-UHFFFAOYSA-N 295.390 1.899 0 50 CDAA COC[C@@H]1CN(c2cc(C)nc3ncnn23)CC(C)(C)O1 285079658 PRGKKBKKPPNFGF-NSHDSACASA-N 291.355 1.063 0 50 CDAA COc1cc(Cl)ccc1CN1CCO[C@H](C)[C@H]1C(N)=O 285234942 QDKSNQGPMNJRIQ-RNCFNFMXSA-N 298.770 1.423 0 50 CDAA O=C1CCC[C@@H](CC(=O)N2CCOCc3ccccc32)N1 288587334 CVSWUXKTXDJDDF-ZDUSSCGKSA-N 288.347 1.609 0 50 CDAA CN(C)[C@H]1CC=CC(=O)N(Cc2ccccc2)C1=O 45069501 GOGKOMXYTKJKTQ-ZDUSSCGKSA-N 258.321 1.432 0 50 CDAA CC[C@@H](CNC(=O)c1c(C)[nH]c(C)cc1=O)OC 426574781 RDZFBRXJTXKGFB-JTQLQIEISA-N 252.314 1.147 0 50 CDAA Cc1nnc(NCCc2noc([C@H]3CCCO3)n2)o1 95374591 CJTRLJBAYLFURA-MRVPVSSYSA-N 265.273 1.267 0 50 CDAA Cc1nc2ccc(C(=O)N3CCCC[C@@H]3C(=O)O)cc2[nH]1 426510587 FHRKUEAHZBYKAV-CYBMUJFWSA-N 287.319 1.951 0 50 CDAA C[C@H](C(N)=O)n1cc(-c2ccccc2N(C)C)cn1 96132734 UICTYGHCGNTLIF-SNVBAGLBSA-N 258.325 1.662 0 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O=C1CC[C@H](C(=O)N[C@@H]2C[C@@H]2c2ccccc2F)N1 247850330 GPEKNSKAKMHDMX-YUSALJHKSA-N 262.284 1.076 0 50 CDAA CN(CC(=O)NCC1CCOCC1)Cc1ccncc1 244718772 LQNCCHJOVQFUGJ-UHFFFAOYSA-N 277.368 1.056 0 50 CDAA COC[C@H](NC(=O)c1ncoc1C1CC1)[C@@H]1CCCO1 294260868 NVKNPJPPIICBNS-QWRGUYRKSA-N 280.324 1.476 0 50 CDAA Cc1noc(C)c1[C@@H](C)CC(=O)N1CCCn2nnnc21 294428473 OWMFPRMQIAUDAI-QMMMGPOBSA-N 290.327 1.208 0 50 CDAA CNC(=O)c1ccc(N2CCC[C@](C)(F)C2)nn1 295025061 VEVPQDDWRKIAGY-LBPRGKRZSA-N 252.293 1.165 0 50 CDAA CCc1cc(C(=O)N(C)CC2(O)CCCC2)cc(=O)[nH]1 182373110 FXPCUCXNZBVRQT-UHFFFAOYSA-N 278.352 1.314 0 50 CDAA CC(=O)N1CCN(Cc2cc(-c3cccnc3)no2)CC1 252480447 CAKPDYMZEYOORM-UHFFFAOYSA-N 286.335 1.401 0 50 CDAA CC(C)[C@@H](NS(=O)(=O)N1CCCC1)c1nccn1C 534634320 ZWIDBTCFOYCQBF-LLVKDONJSA-N 286.401 1.047 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1nc(C2CC2)no1 534658759 SYZHAJBPDLPQCI-SECBINFHSA-N 289.339 1.707 0 50 CDAA CC(C)c1cc(C(=O)N[C@@H]2CCCNC2=O)cs1 534574440 DSUYPHYGGRTOSQ-SNVBAGLBSA-N 266.366 1.880 0 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0 50 CDAA Cc1nc([C@H]2OCC[C@H]2CNC(=O)C2CC(C)(C)C2)n[nH]1 685940059 GWHATSBZLXJDNJ-JQWIXIFHSA-N 292.383 1.743 0 50 CDAA CS(=O)(=O)c1ccc(C(=O)O)cc1Br 42684461 KTVNPQRQWOOMGI-UHFFFAOYSA-N 279.111 1.551 0 50 CDAA in-vitro C[C@@H]1CN(C)CCN1C(=O)[C@H]1CSc2ccccc2O1 685939463 QPVGYELUXXXJJI-DGCLKSJQSA-N 292.404 1.702 0 50 CDAA Cc1nc(C)c(CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)[nH]1 1412662693 JNVWRWNZRAFWKL-LBPRGKRZSA-N 292.383 1.147 0 50 CDAA CN1CCN(c2nnc(C(F)(F)F)s2)CC1 193896 QJSFDLRMJWUTTC-UHFFFAOYSA-N 252.265 1.309 0 50 CDAA Cn1cnnc1[C@@H]1CCN(c2ccc3nccnc3n2)C1 1472867179 AWJOPBFDLXHRGD-SNVBAGLBSA-N 281.323 1.147 0 50 CDAA CN1CC[C@H]2[C@@H](CCCN2c2ncnc3[nH]ccc23)C1 269093350 LZLSWAKKKGXSBQ-AAEUAGOBSA-N 271.368 1.878 0 50 CDAA C[C@H](CN1CCCCCC1)NC(=O)Cc1ccn[nH]1 185442575 BUJBGYHNKYOCMK-GFCCVEGCSA-N 264.373 1.333 0 50 CDAA CC(C)(C)OC(=O)NC[C@H](C(=O)O)C1CCOCC1 675049951 BQNQDIGOZRCSAN-JTQLQIEISA-N 273.329 1.639 0 50 CDAA C[C@@H]1C(=O)N(C)CCN1Cc1nc(-c2ccccc2)no1 187002629 VILZELMXYKJPRA-LLVKDONJSA-N 286.335 1.399 0 50 CDAA Cc1nc(CN2CCN(C[C@@H]3CCO[C@@H](C)C3)CC2)no1 170593004 MJUIYEPACXZZSA-GXTWGEPZSA-N 294.399 1.311 0 50 CDAA O=C(Cn1nc(Cl)sc1=O)NCc1cccs1 170612979 MSKPKZQWXYKIKB-UHFFFAOYSA-N 289.769 1.336 0 50 CDAA COCCc1ccccc1NC(=O)Cc1cnn(C)c1 170604634 HTJVSRBHCLLYRY-UHFFFAOYSA-N 273.336 1.790 0 50 CDAA C[C@H](c1nnnn1C)S(=O)(=O)c1cccc(Cl)c1 188934223 JVCPBLJVEOLIPF-SSDOTTSWSA-N 286.744 1.398 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(CO)c1 189197535 LZYPJTIPNUWOAZ-SMDDNHRTSA-N 263.337 1.610 0 50 CDAA COC1CCC(NC(=O)c2cnc3c(cnn3C)c2)CC1 573683417 YADJNXPZUWMQEP-UHFFFAOYSA-N 288.351 1.656 0 50 CDAA CC[C@H](NC(=O)N1CC(NC(C)=O)C1)c1ccc(C)cc1 189726831 QMSYSDAPMFTUEM-HNNXBMFYSA-N 289.379 1.976 0 50 CDAA O[C@@]1(CN2CCc3cccc(F)c3C2)CCCOC1 585094386 VKWIGXBWNFZAHH-OAHLLOKOSA-N 265.328 1.725 0 50 CDAA CC(C)CO[C@@H](C)C(=O)Nc1cc(CO)cc(CO)c1 585131010 IXSWKLJXQFNWEH-NSHDSACASA-N 281.352 1.671 0 50 CDAA CCCCCOCC(=O)NCc1nc(C(F)(F)F)no1 585125785 FOFVQOHNBOSJBO-UHFFFAOYSA-N 295.261 1.911 0 50 CDAA CO[C@@]1(CNCc2nncn2-c2ccccc2)CCOC1 585117841 ZJQOHSYBMAQSFF-OAHLLOKOSA-N 288.351 1.162 0 50 CDAA CCC1CCN(C(=O)C(C)(C)CN2CCOCC2)CC1 585129529 MTALLUFOELZYCB-UHFFFAOYSA-N 282.428 1.993 0 50 CDAA CCn1ccnc1CN1CCN(C(=O)c2ccccn2)CC1 195514433 JIMQPRMBPKQNMX-UHFFFAOYSA-N 299.378 1.256 0 50 CDAA CNc1nc(N[C@@H]2CCC[C@H]2O)ncc1Br 195575380 QIYZTDXEEGFJKN-HTQZYQBOSA-N 287.161 1.606 0 50 CDAA COc1cccc(CNC[C@@H]2CN3CCC2CC3)n1 1474734889 GXOCFNQJOLHWOC-CYBMUJFWSA-N 261.369 1.522 0 50 CDAA COc1ccccc1N1CCN(C[C@H]2C[C@@H]2C(=O)O)CC1 1615002191 QRLKDXFCQBJHEM-OLZOCXBDSA-N 290.363 1.538 0 50 CDAA O=C(c1ccc(C(F)(F)F)cc1)N1C[C@@H](O)[C@H](F)C1 952967994 IWZQICJCIHPJBC-NXEZZACHSA-N 277.217 1.860 0 50 CDAA CCN(CC)CCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100568448 FVRBUVBHHPPIPL-XDQVBPFNSA-N 276.380 1.525 0 50 CDAA CCCn1cc(CNC(=O)C2=C(C)OCCO2)cn1 1506409052 UYJOETVFOACICQ-UHFFFAOYSA-N 265.313 1.188 0 50 CDAA CN(CCn1cnnc1)Cc1cccc2cnccc12 1529187449 SNTGGUDLJSLLEB-UHFFFAOYSA-N 267.336 1.958 0 50 CDAA NCCSCC(=O)NC1C2CC3CC(C2)CC1C3 3683347 OAMLULZJPRNEHZ-UHFFFAOYSA-N 268.426 1.619 0 50 CDAA C[C@@H]1C[C@H](NS(=O)(=O)CCCC(F)(F)F)CCN1 235310897 IESAWXYZUNNYSU-RKDXNWHRSA-N 288.335 1.389 0 50 CDAA O=S(=O)(C1CC1)N1CC2(CCOCC2)[C@@H]1C1CC1 334237786 JEFGTLVRPQBDSQ-LBPRGKRZSA-N 271.382 1.370 0 50 CDAA c1csc(-c2nccn2CCN2CCOCC2)c1 129231427 BLTIHFFOONTZIJ-UHFFFAOYSA-N 263.366 1.944 0 50 CDAA CCOCCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 252431138 CEJJDTBOZDPXGN-TUAOUCFPSA-N 269.341 1.657 0 50 CDAA COc1ccc([C@H](C)N[C@H](C)c2nnnn2C)cc1 252549745 RUEHCPWBYANJQF-VHSXEESVSA-N 261.329 1.631 0 50 CDAA C[C@@H](CCO)CNc1nnc(C(F)(F)F)s1 155117121 FPMLDTHWVBQESN-YFKPBYRVSA-N 255.265 1.987 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CSCN2)C1(C)C 161552638 WTXKQEUCAWIWRV-GARJFASQSA-N 272.414 1.311 0 50 CDAA c1ccc2c(c1)COCc1nnc(C3CCNCC3)n1-2 1772806006 WXZBQNMUKPVCDU-UHFFFAOYSA-N 270.336 1.765 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC2CCN1CC2 1775979934 PSYLQIVHISRXIV-OAHLLOKOSA-N 290.411 1.560 0 50 CDAA O=C1CCCN1CCCNc1ncnc2cc[nH]c12 1772814094 JZDHNMOCMNXJQI-UHFFFAOYSA-N 259.313 1.382 0 50 CDAA COc1ccc2cc(CN(C)C(C)=O)c(=O)[nH]c2c1 5248467 BBKYZQKBWNNSDI-UHFFFAOYSA-N 260.293 1.515 0 50 CDAA COc1cc(OC)c([C@@H]2NCCc3[nH]cnc32)cc1OC 5248606 PLGUDKSDYSTKKL-AWEZNQCLSA-N 289.335 1.671 0 50 CDAA CCCNC(=O)c1cccc(NC(=O)CCC(=O)O)c1 12138871 KHAZBIWLSPQQFN-UHFFFAOYSA-N 278.308 1.630 0 50 CDAA O=C(c1cc(CCc2ccccc2)no1)N1CCOCC1 12161156 YRTVVYAZSFHWNZ-UHFFFAOYSA-N 286.331 1.932 0 50 CDAA O=C1CC[C@@H](C(=O)NCCc2cnn(-c3ccccc3)c2)C1 19739915 IXEMUBGVSUNTQW-CQSZACIVSA-N 297.358 1.900 0 50 CDAA CN1CCCN(Cc2nc(Cc3ccccc3)no2)CC1 19742650 XUITVZZOBRQHBZ-UHFFFAOYSA-N 286.379 1.798 0 50 CDAA CCN1CCN(C[C@H](O)COc2cc(C)ccc2C)CC1 19770756 AOIXIPPQTHHDSX-INIZCTEOSA-N 292.423 1.681 0 50 CDAA O=C(O)c1c[nH]c2ncc(I)cc12 206019897 HJOLCBNOZOKDFZ-UHFFFAOYSA-N 288.044 1.866 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1Cc1ncc(C2CC2)o1 643829030 OPZDUMMOPZMLJR-HNNXBMFYSA-N 293.367 1.279 0 50 CDAA CCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 180700 TXCIKCNULGCBFA-QMMMGPOBSA-N 296.396 1.724 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cc(C)[nH]n2)n1 408410680 WUVGAZCTDOEVDB-KCJUWKMLSA-N 291.311 1.012 0 50 CDAA CC(C)C[C@@H]1COCCN1C(=O)c1cc(O)cc(O)n1 646816446 ZPKLREIEAXOIKR-SNVBAGLBSA-N 280.324 1.380 0 50 CDAA C[C@@H]1COCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 334327091 BZGATNNEXUPBLM-ZDUSSCGKSA-N 285.347 1.981 0 50 CDAA C[C@@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1cnn(C)c1 130124401 USLCLKVVQRYRES-VXGBXAGGSA-N 279.388 1.074 0 50 CDAA O=C(O)[C@@H](CNC(=O)[C@H]1CCCO1)Cc1cccc(F)c1 362745121 NCCTVVASCRWKET-DGCLKSJQSA-N 295.310 1.364 0 50 CDAA Cc1ccccc1O[C@@H](C)CNC(=O)/C=C/CN(C)C 266146889 MNBHNCXUKGUULZ-RNVIBTMRSA-N 276.380 1.996 0 50 CDAA CCOc1ccccc1CCC(=O)N1CCNC[C@@H]1C 126063514 ATTCKOZQHBUHQE-ZDUSSCGKSA-N 276.380 1.838 0 50 CDAA O=C(NC[C@]12CCCC[C@H]1C2)[C@@H]1CCc2nncn2CC1 927460733 XRGUBPWDAGOYBV-DVOMOZLQSA-N 288.395 1.927 0 50 CDAA Cc1nccc(NC(=O)N[C@H]2CCN(CC(F)F)C2)n1 930837000 KEUAMGKVSRKSAR-VIFPVBQESA-N 285.298 1.246 0 50 CDAA CC(C)Cn1[nH]c(CC(=O)Nc2ccc(O)cc2)cc1=O 934760774 UASUILGNPHFPTK-UHFFFAOYSA-N 289.335 1.719 0 50 CDAA Cc1c(-c2cc(CN(C)C[C@@H](C)N)on2)cnn1C 863569255 SXEQQFCMDKQHKL-SECBINFHSA-N 263.345 1.163 0 50 CDAA Cc1nc(CNC(=O)[C@@]23CCCC[C@H]2OCC3)co1 1875274713 UABRUNFEDVVNNS-TZMCWYRMSA-N 264.325 1.949 0 50 CDAA CCc1n[nH]cc1S(=O)(=O)N1CC[C@@H]1C1CCC1 1875298363 YFVMFSJOPLZABS-LLVKDONJSA-N 269.370 1.535 0 50 CDAA Cc1cccc(-c2nc(C)c(C(=O)N3CCC(=O)N3)[nH]2)c1 1875285836 BOMSVTZIEPQIPE-UHFFFAOYSA-N 284.319 1.571 0 50 CDAA c1nc(CC2CC2)cc(N2CCc3c[nH]nc3C2)n1 1875275832 XCVIRYOOGUZKGT-UHFFFAOYSA-N 255.325 1.715 0 50 CDAA C[C@@](O)(CN1Cc2cccc(-c3nn[nH]n3)c2C1)C(F)F 1875331016 LLRNEURYIHVNMR-CYBMUJFWSA-N 295.293 1.198 0 50 CDAA CCOCn1nnc(C(=O)Nc2ccc(C)cc2)c1N 1875335607 XXZNTHNZTFTYKR-UHFFFAOYSA-N 275.312 1.415 0 50 CDAA C=CC(=O)N1C[C@@H](NC(=O)c2ccoc2CC)C(C)(C)C1 1875383625 AVALFWMTNKRNAI-CYBMUJFWSA-N 290.363 1.995 0 50 CDAA C[C@@H]1C[C@@]2(C(=O)N[C@@H]3CS[C@H](C(=O)O)C3)C[C@@H]12 1875300581 IYYGTSXGBYNKEA-NVHVNNGRSA-N 255.339 1.107 0 50 CDAA C=CC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 1875366465 MAWUWGVUTNAGJZ-KGLIPLIRSA-N 261.321 1.524 0 50 CDAA Cc1nccn1C[C@H]1CCCN1C(=O)Cc1ncc[nH]1 1775988064 WJSHILKBKLCVQB-GFCCVEGCSA-N 273.340 1.148 0 50 CDAA O=C(CN1CCC[C@@H]2c3[nH]cnc3CC[C@H]21)NC1CC1 1775987324 BJTIKHQXTUJQEI-WCQYABFASA-N 274.368 1.183 0 50 CDAA Cc1ncsc1Cn1cc(CN2CCOC[C@H]2C)nn1 899211705 MLZVAVILNLPHAC-SNVBAGLBSA-N 293.396 1.312 0 50 CDAA CCN1CCN(CCOc2cccc(C)c2)C(=O)C1=O 32498064 LHVKQGUAPWTNKB-UHFFFAOYSA-N 276.336 1.065 0 50 CDAA O=C(C[C@H]1COCCN1)Nc1ccc2ncsc2c1 72150291 ZLPCDNNGIKGMJU-JTQLQIEISA-N 277.349 1.613 0 50 CDAA O=C(NCc1ccccc1)N[C@@H]1CCNC12CCC2 529284899 ZYGKLPCJGSYIPW-CYBMUJFWSA-N 259.353 1.770 0 50 CDAA Oc1cccc([C@H]2CN(Cc3cnns3)CCO2)c1 331539886 HAUQSQPWGAVBAU-CYBMUJFWSA-N 277.349 1.817 0 50 CDAA O=C(NCc1ccc2c(c1)CCCO2)[C@H]1C=CCN1 534653651 VESRVZWBZKEGKH-CYBMUJFWSA-N 258.321 1.156 0 50 CDAA 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1.502 0 50 CDAA CCC[C@@]1(CO)CCN(C(=O)C(C)(C)N2CCOCC2)C1 378148021 OEJLLVQCMJAPRW-MRXNPFEDSA-N 298.427 1.108 0 50 CDAA Cc1nc([C@H]2CCCN(C(=O)c3nsnc3C)C2)n[nH]1 1775983562 ZSRUZTNJGYLRAO-VIFPVBQESA-N 292.368 1.293 0 50 CDAA Cc1cccn2cc(CN3C[C@H]4CCCN4C(=O)[C@H]3C)nc12 1772707261 UKVVSMLNLZQVCA-UKRRQHHQSA-N 298.390 1.838 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1cc(C(F)F)[nH]n1 1772819412 KZXNXADWJBXOKM-UHFFFAOYSA-N 292.249 1.549 0 50 CDAA c1cc2[nH]nnc2cc1Cc1ccc2[nH]nnc2c1 5425416 IWASLBFJTMJYHF-UHFFFAOYSA-N 250.265 1.820 0 50 CDAA COCCN(C)Cc1nc(Cc2ccccc2F)no1 12204611 JQIJHNTUQHQILO-UHFFFAOYSA-N 279.315 1.878 0 50 CDAA O=C1CCN([C@H](C(=O)O)c2ccc(F)cc2)CC1 12649870 BDORXXXEFSZGOZ-LBPRGKRZSA-N 251.257 1.616 0 50 CDAA Cc1cc(N2CCOCC2)nc(-c2ccccc2O)n1 13125130 BXYINYBUTMVQPS-UHFFFAOYSA-N 271.320 1.994 0 50 CDAA O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC1CCCC1 16527259 FKWSGVQHKYZYDC-CHWSQXEVSA-N 290.363 1.387 0 50 CDAA COc1ccccc1OC[C@@H](O)CNCC(C)C 16650641 ATVFDNXXPBKULZ-LBPRGKRZSA-N 253.342 1.681 0 50 CDAA OCCN1CCN(Cc2cccc3ccccc23)CC1 19607209 LDNUEWCKHZHTLN-UHFFFAOYSA-N 270.376 1.950 0 50 CDAA N=c1[nH]nc(N2CC[C@@]3(C2)C(=O)Nc2ccccc23)s1 1857676767 XDLYQLZDQPMMET-ZDUSSCGKSA-N 287.348 1.051 0 50 CDAA Cc1ccc2c(C(=O)N3CCC[C@H](N)C3)cnn2c1C 911622357 FWQMLHCVKBMHFE-LBPRGKRZSA-N 272.352 1.514 0 50 CDAA NC(=O)c1ccc(N2CC[C@@H](c3ccccc3F)C2)nn1 338733514 KTRNLDXTVPEBBM-SNVBAGLBSA-N 286.310 1.709 0 50 CDAA CCc1c(C)nc(N)nc1N1C[C@H]2CCCN[C@H]2C1 248044704 QDCRGUVNELBZCJ-PWSUYJOCSA-N 261.373 1.118 0 50 CDAA Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H](N)C3)cc2)c1 157984479 NLSBKEITFSACDT-CQSZACIVSA-N 284.363 1.744 0 50 CDAA COC[C@]1(C(=O)O)CCN(C(=O)CC[C@H]2CC[C@H](C)O2)C1 263088467 SMXWTIXLQPRORM-ZOWXZIJZSA-N 299.367 1.284 0 50 CDAA C[C@@H](C(=O)O)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 263556940 OYSFCLRGXHGMGE-LLVKDONJSA-N 287.319 1.551 0 50 CDAA COc1ccnc(NC(=O)C[C@@H](C)CC(=O)O)c1 904217920 WMOKNCUGJAYTBL-MRVPVSSYSA-N 252.270 1.530 0 50 CDAA O=C(NCc1cocn1)[C@H]1C[C@]1(C(=O)O)c1ccccc1 905114819 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NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 130951755 HBBGAADOUCDKHR-ZDUSSCGKSA-N 287.363 1.525 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(CCc2ccncc2)C1 284606876 LVQITCNZVCEKQQ-KGLIPLIRSA-N 287.367 1.513 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NC2(C)Cc3ccccc3C2)N(C)C1 335341601 FQKACIUOTFAQER-GJZGRUSLSA-N 288.391 1.379 0 50 CDAA C[C@H](N[C@H](C)C(=O)OC(C)(C)C)c1nnc2n1CCCC2 241644328 PPYGTQMVFJBFPF-WDEREUQCSA-N 294.399 1.995 0 50 CDAA CC[C@H](NC(=O)c1cnc(C)[nH]c1=O)c1ccncc1 216178369 JLEYMEPEQUTMCN-LBPRGKRZSA-N 272.308 1.354 0 50 CDAA CCn1ccnc1[C@@H](C)NC(=O)c1ccc2nn[nH]c2c1 456368785 CPBUVNXTMITJIQ-SECBINFHSA-N 284.323 1.665 0 50 CDAA Cc1cc(CN(C)C(=O)c2cc(C(F)F)n[nH]2)on1 219653855 MNNLWUBNUITAQO-UHFFFAOYSA-N 270.239 1.916 0 50 CDAA COc1ncnc(N(C)C)c1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 150702018 FAMGPSTXNQQIBM-GARJFASQSA-N 288.351 1.702 0 50 CDAA Cc1n[nH]cc1CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 368785924 WLKBQOAAPFOKIB-INIZCTEOSA-N 282.347 1.814 0 50 CDAA COCC1(C(=O)N2CCO[C@H](c3cnn(C)c3)C2)CCC1 285289014 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279.340 1.410 0 50 CDAA Cc1cnccc1CNC(=O)[C@H](N)CCc1ccccc1 133278400 MUNZBIQVLMJDGL-MRXNPFEDSA-N 283.375 1.966 0 50 CDAA CCOc1cccc(C(=O)N2CC[C@H](CNC)C2)c1 179006419 IEQLMXIBXQHKSY-GFCCVEGCSA-N 262.353 1.767 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)N(C)CC1(C)COC1 426422069 YIEGMYYEGGBKCQ-JTQLQIEISA-N 251.330 1.247 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2cc(=O)cc(C)[nH]2)n[nH]1 426649812 XVGRKKAIOBKIAO-MRVPVSSYSA-N 274.324 1.076 0 50 CDAA CC(=O)c1ccccc1C(=O)NCCCc1ncc[nH]1 223252936 CMWCCVVJDIRIRH-UHFFFAOYSA-N 271.320 1.975 0 50 CDAA CCN(CCOc1ccccc1)C(=O)N[C@@H](C)C(=O)O 426633709 APRKGOBNGXOVOG-NSHDSACASA-N 280.324 1.570 0 50 CDAA O=C1[C@H]2[C@@H]3[C@H]4C[C@H]2[C@H](O)[C@H]4O[C@H]3N1C1CCCCC1 238899585 GSSIEAAMBSWSJS-RBXVXMJQSA-N 263.337 1.129 0 50 CDAA Cc1ncc(C(=O)N[C@@H]2CCNC2)c(-c2ccccc2)n1 97468367 ZNEOGXCDJOZDEI-CYBMUJFWSA-N 282.347 1.544 0 50 CDAA Cc1cccc(Cn2ncnc2Cn2nccn2)c1 96161450 HHRYLRIIJUDSOL-UHFFFAOYSA-N 254.297 1.275 0 50 CDAA CN(CC(=O)O)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 237148656 JEHGAHYXBDATRS-JGVFFNPUSA-N 269.247 1.611 0 50 CDAA NC(=O)CN1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91951640 XVYSCYNAWPXXRN-MRXNPFEDSA-N 293.411 1.119 0 50 CDAA COCC1(C(=O)N2CCN[C@@H](c3ccccc3)C2)CCC1 97732883 XQCWMONHDKQNQW-OAHLLOKOSA-N 288.391 1.976 0 50 CDAA CC[C@H](C)N(CC(=O)O)C(=O)[C@H]1CCN(CC(C)C)C1 236915485 PHSPFDMWKRSCIQ-STQMWFEESA-N 284.400 1.676 0 50 CDAA CSCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2C)C1 91644622 RKQQPNARSRQMOD-QWHCGFSZSA-N 293.388 1.985 0 50 CDAA CS(=O)(=O)N1CCC[C@H](c2cccc(C(=O)O)c2)C1 95387792 TUNMLQUWYGMFJQ-LBPRGKRZSA-N 283.349 1.524 0 50 CDAA COCc1nnc(Sc2nn3cc(C)nc3s2)[nH]1 268507366 VGJSSCQXVQWFDW-UHFFFAOYSA-N 282.354 1.515 0 50 CDAA CCc1nc(N2CCC3(CC2)[C@@H](O)C[C@H]3O)ncc1C 91663565 ZLJHGMPUZKCCCW-BETUJISGSA-N 277.368 1.060 0 50 CDAA Cc1cc(C)n(CCN(C)C(=O)c2nccn2C)n1 244742118 OCDOLCBWWZARKG-UHFFFAOYSA-N 261.329 1.006 0 50 CDAA C[C@@H](C(=O)NC1CCCCC1)N(C)Cc1ncc[nH]1 244787610 QAGIBPFBSWVENL-NSHDSACASA-N 264.373 1.679 0 50 CDAA Cc1noc(NC(=O)[C@H]2CCc3nc(C(C)C)[nH]c3C2)n1 299740630 ATCUSJRKNRPRLV-VIFPVBQESA-N 289.339 1.968 0 50 CDAA CC(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 255187955 HWHOBRXKBHPNKE-XYPYZODXSA-N 256.346 1.958 0 50 CDAA O=C(NCCn1ccnn1)c1ccc([C@@H]2CCCO2)s1 534666951 GIFARHIUKYCMHJ-JTQLQIEISA-N 292.364 1.621 0 50 CDAA CCOCCC(=O)NCc1cc2c(cc1OC)OCCO2 299761027 QPGHOGPRDHDWPB-UHFFFAOYSA-N 295.335 1.509 0 50 CDAA Cc1nc(C(C)C)ncc1C(=O)NC[C@H]1COCCO1 299796119 NAGQBTBKUCEKHV-NSHDSACASA-N 279.340 1.054 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Cc1c(C)noc1C 299767550 HUYBWOYUKDYSJB-KBPBESRZSA-N 295.383 1.058 0 50 CDAA Cc1nccn1[C@@H](C)CC(=O)NCCN1CCCOC1=O 299768585 YHMUSRDKTOPQQW-NSHDSACASA-N 294.355 1.101 0 50 CDAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3nc[nH]c3C)[C@H]2C1 299791142 CMJLGHHGYAEIRF-VHDGCEQUSA-N 279.384 1.877 0 50 CDAA CC(C)CN(CC(=O)O)c1cc([C@H]2CCOC2)ncn1 299785309 XVTVRXFWUXQCLS-NSHDSACASA-N 279.340 1.528 0 50 CDAA Cc1cc2nc(CNS(C)(=O)=O)[nH]c2cc1C 825151513 SJBTVTDNXKCEDE-UHFFFAOYSA-N 253.327 1.229 0 50 CDAA C[C@H](Cn1cccn1)C(=O)NCCc1cn2ccccc2n1 820631996 NWWDERFMJCLYEC-CYBMUJFWSA-N 297.362 1.526 0 50 CDAA COCCOC1CCN(C(=O)Cc2ncccc2C)CC1 584901335 YVYNSQKGMJVFTB-UHFFFAOYSA-N 292.379 1.587 0 50 CDAA CCn1nc(C)c([C@H](C)NC(=O)Cn2ccnc2C)c1C 584901521 SJLLUWUXMSXSNR-JTQLQIEISA-N 289.383 1.902 0 50 CDAA CCc1csc(CCNC(=O)C[C@@H]2CCOC2)n1 670439265 LLACQUMWFLFSGS-JTQLQIEISA-N 268.382 1.791 0 50 CDAA Cc1[nH]nc2ncc(NC(=O)C[C@H](C)CC(=O)O)cc12 952880396 ASXDTNMHWIYSNX-ZETCQYMHSA-N 276.296 1.706 0 50 CDAA COC(=O)N1CC(C)(NC(=O)Nc2ccnc(OC)c2)C1 952883999 QUJYLIVFIRHMLZ-UHFFFAOYSA-N 294.311 1.052 0 50 CDAA CCOc1cc(N[C@@H](C)c2nn(C)cc2OC)ncn1 952877725 TVHGAHZEEFRZRJ-VIFPVBQESA-N 277.328 1.791 0 50 CDAA CC(C)(C)OC(=O)N[C@H](C(=O)O)C12C3C4C5C3C1C5C42 953095022 HRTDBFFFLMHCJS-NGQMBORNSA-N 277.320 1.332 0 50 CDAA NC(=O)C1CCC(NC(=O)[C@H]2CC23CCC(N)CC3)CC1 1875277133 KWISBCQGSXYFGX-RRHJKOLHSA-N 293.411 1.054 0 50 CDAA CC[C@H](C(=O)N[C@@H](CC1CC1)C(=O)O)C1CCOCC1 1875291557 DLWWXJIMGNNWIH-STQMWFEESA-N 283.368 1.809 0 50 CDAA Cc1nnsc1CS(=O)(=O)CC1CCCC1 1875279359 VKBFVMKNKCLEBE-UHFFFAOYSA-N 260.384 1.952 0 50 CDAA NC1CC2(C1)[C@H]1CCCN1CCN2CCc1ccccc1 1875274106 HLEAQQIYAABTRQ-LXPRWKDFSA-N 285.435 1.869 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)C3(CO)CC3)n[nH]c21 1875395000 GAQLCDDPFMKJHM-BDAKNGLRSA-N 279.340 1.029 0 50 CDAA CC(C)C[C@H]1COCC[C@H]1NC(=O)/C=C/CN(C)C 1875376654 FBNJYJBFCNXUFI-BUHQSOCUSA-N 268.401 1.672 0 50 CDAA O=C(CCc1cccc(O)n1)N1C[C@@H]2CCC[C@H](O)[C@H]2C1 1875312012 GAKDSVJDMDVNOO-UBHSHLNASA-N 290.363 1.339 0 50 CDAA O=C(/C=C/CN1CCCC1)NC[C@H]1CCCOC1 1875337839 HCPRXVXXHLKISU-VUUYWXRKSA-N 252.358 1.181 0 50 CDAA CC(C)(C)OC(=O)N1CCC(O)([C@H](N)C2CCC2)CC1 958528960 ZXYYMTGQUGHDTR-GFCCVEGCSA-N 284.400 1.876 0 50 CDAA CN(Cc1ccc2c(c1)OCCO2)c1cnc(CO)cn1 891496217 XLSIWDGEYGCJAB-UHFFFAOYSA-N 287.319 1.377 0 50 CDAA CCOCc1nc(C)cc(N[C@@H]2CCCN(C(N)=O)C2)n1 892743808 ZFGUCFHBCMZYPT-LLVKDONJSA-N 293.371 1.277 0 50 CDAA Cc1n[nH]c([C@@H]2CN(C[C@H]3CCCCO3)CCO2)n1 246874912 GHSGSCSTBLDKBF-NEPJUHHUSA-N 266.345 1.056 0 50 CDAA CN(C)Cc1cc(-c2cnn(C)c2CN)ccc1F 899322741 JQVZKDLKQOVABY-UHFFFAOYSA-N 262.332 1.747 0 50 CDAA C[C@@]1(CNC(=O)NC[C@@H]2CCc3nccn3C2)CCCO1 548059958 RRNMJUZWVHWFKM-WFASDCNBSA-N 292.383 1.314 0 50 CDAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CCC[C@H]2C[C@H]21 585082958 NPXYFLXIPJNQOY-CMPLNLGQSA-N 258.325 1.792 0 50 CDAA COCCOc1cccc(C(=O)N2CCC[C@@H]2[C@H](C)O)c1 585113778 JKPQQCQXHJDOKO-SWLSCSKDSA-N 293.363 1.697 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](N)(C(F)(F)F)C1 95743263 YHPCKIFBYOPVAL-VIFPVBQESA-N 254.252 1.887 0 50 CDAA in-vitro C[C@@H]1C[C@@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 221858246 GZBANMOMNQDIGK-PPKCKEKNSA-N 250.273 1.124 0 50 CDAA CN(CC(F)F)S(=O)(=O)C1=Cc2ccccc2OC1 170608407 QIOACRWSCVHLSG-UHFFFAOYSA-N 289.303 1.947 0 50 CDAA Cc1nc(N2CCN(C)[C@@H](C(C)C)C2)cc2nncn12 413259114 HTEFKWUHCFJJIE-GFCCVEGCSA-N 274.372 1.209 0 50 CDAA O=C(O)CN(C(=O)c1scnc1C1CC1)C1CC1 190728706 JQNWTGFVXRRXPZ-UHFFFAOYSA-N 266.322 1.710 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1cccc(OC)c1 643764271 SVNPXJDQBBCJHP-MRXNPFEDSA-N 292.379 1.422 0 50 CDAA CC(C)[C@H](SC[C@@H]1CCCO1)C(=O)NC(N)=O 191766959 MKAKLOVNEDLBPP-IUCAKERBSA-N 260.359 1.118 0 50 CDAA O=C(COc1ccccc1)N1CCNC[C@@H]1c1ccncc1 564650435 CAGVJAFHJXROQY-MRXNPFEDSA-N 297.358 1.634 0 50 CDAA C[C@@H](N)CNC(=O)c1csc(-c2ccccn2)n1 194896870 PMGVNFDHRPLLQP-MRVPVSSYSA-N 262.338 1.282 0 50 CDAA O=C(c1csc(O)n1)N1CC[C@H](c2cccnc2)C1 565364079 FKXBAAFYJIBBPC-JTQLQIEISA-N 275.333 1.873 0 50 CDAA CCOC(=O)c1c[nH]c(=N[C@H](C)c2nccc(C)n2)cn1 598638244 CUBZSNXBJYNOSH-SNVBAGLBSA-N 287.323 1.347 0 50 CDAA CC(C)n1ncnc1CN1CCC[C@H](CC(N)=O)CC1 671510367 XVEKTOQATCFUDB-LBPRGKRZSA-N 279.388 1.337 0 50 CDAA C[C@H](c1cccnc1)N(C)CC(=O)Nc1ccn(C)n1 1506420087 TWCIJVPCMNFWNS-LLVKDONJSA-N 273.340 1.447 0 50 CDAA CC1=CC[C@H]2CN(C(=O)CCc3n[nH]c(C)n3)C[C@H]2C1 216495703 SRJLOWMKJCTDCB-QWHCGFSZSA-N 274.368 1.860 0 50 CDAA O=C(CCc1cn[nH]c1)N1Cc2ccccc2[C@H](O)C1 1506412248 VNMQQGVBSZAMFA-CQSZACIVSA-N 271.320 1.418 0 50 CDAA CC[C@@H](CNc1ccnc(C)n1)N1CCN(C)CC1 1529172445 HRSGPOBBYDVXFC-ZDUSSCGKSA-N 263.389 1.223 0 50 CDAA Cc1c(CNC(=O)c2ncoc2C(F)(F)F)cnn1C 646946479 YITXCOANEYCZIO-UHFFFAOYSA-N 288.229 1.665 0 50 CDAA CN(C)/C=C1\N=C(c2ccc3c(c2)OCO3)OC1=O 448258 SSZDQYOVOQZKDY-TWGQIWQCSA-N 260.249 1.122 0 50 CDAA Cc1cc(C[C@@H]2CN(c3nc(C)ncc3C)C[C@@H]2O)on1 1704342952 GSWNTWSJGDPIJS-OCCSQVGLSA-N 288.351 1.430 0 50 CDAA CC(=O)c1cnc(NCC[C@H]2CCCN2C)nc1C 1704325070 CQAGAYXUTSSZPS-GFCCVEGCSA-N 262.357 1.884 0 50 CDAA CCn1ccc(C(=O)NCc2ccncc2F)cc1=O 1857694488 PPEYXCFORUWLPC-UHFFFAOYSA-N 275.283 1.332 0 50 CDAA COc1cc(N)c(I)cc1C(=O)O 34537971 XEQJZCQCBUXZJK-UHFFFAOYSA-N 293.060 1.580 0 50 CDAA in-vitro CC[C@@H]1CN(C)CCN1C(=O)Nc1cc2c(nn1)CCC2 1615627668 WZDNEYWDYGTBAS-GFCCVEGCSA-N 289.383 1.523 0 50 CDAA CCNC(=S)NC(=N)N1CCc2ccccc2C1 1848443205 YXRNLMWYMUYRHW-UHFFFAOYSA-N 262.382 1.463 0 50 CDAA CC(C)c1noc(CN(C)c2nc(C(=O)O)co2)n1 1529153265 AJCHFFYDDYDYIP-UHFFFAOYSA-N 266.257 1.516 0 50 CDAA C=CC(=O)Nc1ccc(C(=O)NC[C@H]2CCOC2)cc1 1629950380 ZFJLFLUKTZYDAC-LLVKDONJSA-N 274.320 1.577 0 50 CDAA Cc1cc(CN(C)C[C@H]2CCC(=O)N(C)C2)ccn1 1775978104 BIMRSIUGALGOFE-CQSZACIVSA-N 261.369 1.690 0 50 CDAA CC[C@]12C[C@H]1CN(C(=O)c1n[nH]c3c1COCC3)C2 1772809919 HFLSITSRKQMCNW-LKFCYVNXSA-N 261.325 1.355 0 50 CDAA CC(C)(C)n1ccc(C(=O)N2CCOC[C@@H](C(=O)O)C2)c1 1772805683 PHYWRPYKCKWJBN-LBPRGKRZSA-N 294.351 1.416 0 50 CDAA C[C@H](NC(=O)CSc1nncc(=O)[nH]1)c1ccccc1 5625704 QTAVMPCQQXXADH-VIFPVBQESA-N 290.348 1.134 0 50 CDAA CSc1ccc(S(=O)(=O)NCCCN(C)C)cc1 13612175 GYOXRQCLVAGJTG-UHFFFAOYSA-N 288.438 1.639 0 50 CDAA CN(C)C(=O)CSc1nc(-c2ccccc2)n[nH]1 18004623 FTJNNWZUQICOLY-UHFFFAOYSA-N 262.338 1.652 0 50 CDAA C[C@H](CN1CCOCC1)OC(=O)Cc1ccccc1 19456375 PFICYZKOOLQRNQ-CYBMUJFWSA-N 263.337 1.493 0 50 CDAA Cc1cc(C)cc(OCCOCCN2CCN(C)CC2)c1 19792562 AMRKSYWLVGDYDG-UHFFFAOYSA-N 292.423 1.946 0 50 CDAA COCc1cc(CN2C[C@@H]3CC(=O)N[C@@H]3C2)ccc1OC 1857666452 FQSABXWGSVCDMQ-GXTWGEPZSA-N 290.363 1.162 0 50 CDAA Cc1nc([C@H]2CCc3ncnn3C2)n(CC(F)(F)F)n1 1857675833 FUJAWKKFCIJFJX-QMMMGPOBSA-N 286.261 1.470 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1CCc1cnn(-c2ccccc2)c1 1857685763 SICRKKWZPFERDI-HZPDHXFCSA-N 296.374 1.378 0 50 CDAA O=C1C[C@H]2CN(Cc3ccccc3OC(F)F)C[C@H]2N1 1857694949 MLCIQMZBDADSFT-WDEREUQCSA-N 282.290 1.608 0 50 CDAA Cn1cc(CN2CCc3[nH]nc(C4CC4)c3CC2)cn1 1857701064 OPDRCCSTEUTAPM-UHFFFAOYSA-N 271.368 1.621 0 50 CDAA Cc1ocnc1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1857726158 HEKWIGGLQZAUDG-DGCLKSJQSA-N 287.319 1.054 0 50 CDAA Cc1cccc2c1C[C@H](NC(=O)[C@H]1C[C@H](N)C1)CO2 638472440 CPGWMCZDHPTTHU-SRVKXCTJSA-N 260.337 1.152 0 50 CDAA Cn1ccc(CNC(=O)NC[C@@H]2CCC(C)(C)O2)c1 332354529 WETJYHILMVWJTH-LBPRGKRZSA-N 265.357 1.782 0 50 CDAA O=C(c1cc2n(n1)CCC2)N1C[C@H]2C[C@H](O)CC[C@H]2C1 333339339 XRJXUIHGYPFQFP-DMDPSCGWSA-N 275.352 1.062 0 50 CDAA O=C1COc2ccccc2N1CC(=O)N1CC[C@H]1C1CC1 334524193 CKSMTRKCAWVKDQ-LBPRGKRZSA-N 286.331 1.423 0 50 CDAA Cc1cccc(C)c1CC(=O)N1CCC[C@](O)(C(=N)O)C1 334539148 IOPMMYQYCZTONE-MRXNPFEDSA-N 290.363 1.735 0 50 CDAA CCc1ncnc(CC)c1C(=O)NC[C@H]1CCCOC1 339047407 MWLVWUQLVIRURW-LLVKDONJSA-N 277.368 1.758 0 50 CDAA C[C@@H](NC(=O)CCCc1ccccc1)c1nnnn1C 252499291 RYHANWLGJCOQRN-LLVKDONJSA-N 273.340 1.410 0 50 CDAA Cc1cc([C@@](C)(O)CNc2ncnc3[nH]ncc23)c(C)o1 266253352 NNFOGTBFWLHWOY-AWEZNQCLSA-N 287.323 1.882 0 50 CDAA O=C(CCC1CCNCC1)N1CCCC[C@@H](O)C1 1875303096 VWARZQNFNJJJDA-CYBMUJFWSA-N 254.374 1.140 0 50 CDAA CS(=O)(=O)NC[C@H](O)c1cccc2ccccc12 1655975165 HIIZJGRODMEHEN-ZDUSSCGKSA-N 265.334 1.422 0 50 CDAA CC(C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)=C1CCCC1 818678966 BLTFPFCHLZZFRJ-OAGGEKHMSA-N 292.423 1.981 0 50 CDAA Cc1ocnc1C(=O)N1CCC[C@H](C2(O)CC2)C1 1772807928 WEPSXJQAUVIXOW-JTQLQIEISA-N 250.298 1.360 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CCC(=O)C1)C(=O)OCc1ccccc1 848254559 MVMXBDSLVJXZEZ-DGCLKSJQSA-N 289.331 1.604 0 50 CDAA CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@@](O)(C(F)(F)F)C1 1857783063 MFJADWINGRNGKQ-AOOOYVTPSA-N 299.245 1.422 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCn2c(Cl)ccc2[C@H]1C 861739737 UUHMPJPOKMUJHW-SNVBAGLBSA-N 295.770 1.689 0 50 CDAA CC(C)n1ccnc1CNC(=O)c1ccc(N)nc1 220658095 FQLZMFMUAAJZKH-UHFFFAOYSA-N 259.313 1.371 0 50 CDAA C[C@H](CN(C)C(=O)[C@@H]1CCOc2ccccc21)C(=O)O 111185433 NAKKJNQGKCRSNB-ZYHUDNBSSA-N 277.320 1.732 0 50 CDAA COCCCNC(=O)c1cc(OC)cc(OC)c1 2748825 BOXGAVDKYSGYBN-UHFFFAOYSA-N 253.298 1.470 0 50 CDAA Cc1ccccc1NC(=O)N1CCC(C(N)=O)CC1 2883119 PXMGENRROSEULU-UHFFFAOYSA-N 261.325 1.724 0 50 CDAA CN(c1ccc(C(=O)O)cc1)S(=O)(=O)N1CCCCC1 228594005 RQMRZCRHMJHFGE-UHFFFAOYSA-N 298.364 1.552 0 50 CDAA Cc1nc(C)c(C(=O)N(C)CC2(O)CCOCC2)s1 162017665 YPZKHKRWMKJRCE-UHFFFAOYSA-N 284.381 1.373 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21 167132300 QOKGYYOYDGKUFZ-JQWIXIFHSA-N 275.304 1.628 0 50 CDAA COC(=O)c1cccc(CSc2nnc(CN)n2C)c1 71373820 RCMYKHASEXQDHO-UHFFFAOYSA-N 292.364 1.353 0 50 CDAA CCN1CCC[C@H](Nc2cc(-n3cccn3)ncn2)C1 534646468 DKXFMDZUNRAEDX-LBPRGKRZSA-N 272.356 1.559 0 50 CDAA CC(C)(C)CN(CC(=O)O)C(=O)C[C@H]1CCOC1 659783237 NXOSDDKBQOUHJH-SNVBAGLBSA-N 257.330 1.372 0 50 CDAA O=C(O)C[C@@H]1CCCN(c2nnc(C3CC3)o2)C1 574992830 ZFKPDTSFODGODT-QMMMGPOBSA-N 251.286 1.638 0 50 CDAA CCC[C@H](CNc1nccc(=NCC)[nH]1)N(C)C 584889561 POWBMITYEQALLK-LLVKDONJSA-N 251.378 1.473 0 50 CDAA CCc1c[nH]nc1CNC(=O)c1cnc2ccnn2c1C 2325791055 OGQAPFYPARORPY-UHFFFAOYSA-N 284.323 1.253 0 50 CDAA CC1(CCNS(=O)(=O)c2cnc(C3CC3)o2)N=N1 2325803908 JMHZGIGUGHRGOI-UHFFFAOYSA-N 270.314 1.402 0 50 CDAA O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc(=O)[nH]n1 115405475 VBDPOHQHTLTKJB-GFCCVEGCSA-N 298.346 1.169 0 50 CDAA CC(C)(C(=O)O)c1ccc(N2C(=O)C=CC2=O)cc1 132364743 GSOPIFOFZQQILI-UHFFFAOYSA-N 259.261 1.478 0 50 CDAA CC(C)(C)NC[C@@H](O)c1ccc(O)c(NC(N)=O)c1 124 KEMXXQOFIRIICG-LLVKDONJSA-N 267.329 1.304 0 50 CDAA in-man CC1(C)CC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccccc32)CO1 100053 KZVVSRYIOMVFDW-BONVTDFDSA-N 275.304 1.211 0 50 CDAA CC(C)CNC(=O)c1cc2ccc(O)cc2oc1=O 149988 RAMNBEPDIMFXDJ-UHFFFAOYSA-N 261.277 1.884 0 50 CDAA 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1529133372 KHWJYPZUVKYRGN-UHFFFAOYSA-N 267.329 1.410 0 50 CDAA CCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H](NC(C)=O)C1 219518923 YFQVVKKRWBJARZ-CABCVRRESA-N 274.364 1.836 0 50 CDAA COc1cc(C)ccc1CNC(=O)C1(C(=O)O)CC1 119003488 HXPIRNGCNRJQRH-UHFFFAOYSA-N 263.293 1.485 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)C[C@@H](C)O1 12418064 OWOYNDHLKVEMCK-AOOOYVTPSA-N 273.329 1.624 0 50 CDAA Cc1nnnn1CC(=O)N(Cc1ccccc1)C(C)C 131854176 BBJDFLHCBQTTOD-UHFFFAOYSA-N 273.340 1.419 0 50 CDAA Cc1ncc(CN(CCO)C(=O)c2ncc(F)cc2F)[nH]1 1704325471 MMAOQEWLMSFQJE-UHFFFAOYSA-N 296.277 1.026 0 50 CDAA CN(C(=O)CC1=CCCC1)C1CCS(=O)(=O)CC1 1857699797 YQQYWRRHYNQORC-UHFFFAOYSA-N 271.382 1.522 0 50 CDAA COc1cc(CCCO)c(OC)c(OC)c1OC 1848444231 ZHLGPPRUPFKDFX-UHFFFAOYSA-N 256.298 1.646 0 50 CDAA COCc1nnc(NCCN(C(C)C)C(C)C)o1 1772703332 WRRJZSIHQXBEIY-UHFFFAOYSA-N 256.350 1.747 0 50 CDAA Cc1csc(NC(=O)c2ccccc2-n2cnnn2)n1 12409285 YVVVUCLAHINYKD-UHFFFAOYSA-N 286.320 1.680 0 50 CDAA CCOC(=O)N1CCN(Cc2ccc(O)c(OC)c2)CC1 19633237 NZDFFEWQHKWNIA-UHFFFAOYSA-N 294.351 1.675 0 50 CDAA Cc1ccc(CN2CCN(C(C)C)[C@@H](CCO)C2)o1 19839966 DZRARZFQYOATNQ-AWEZNQCLSA-N 266.385 1.865 0 50 CDAA O=C(NCc1nnc2n1CCCCC2)c1cncc(F)c1 165089257 XBJONIPOFMAOIG-UHFFFAOYSA-N 289.314 1.469 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)NCc2ccc(F)cc2)[C@H]2CC[C@H]1O2 168104082 DQLLUVBHRLNJGL-FDYHWXHSSA-N 293.294 1.320 0 50 CDAA O=C(NC[C@@H]1CCCOC1)C1CN(C2CCCCC2)C1 408520175 PGKSFCFATRYTLQ-ZDUSSCGKSA-N 280.412 1.794 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1 408519105 LJWJSOSXNMJTPQ-GXFFZTMASA-N 274.368 1.696 0 50 CDAA C[C@H](CNC(=O)[C@@H]1CCOc2ccccc21)C(=O)O 111185669 VOEKIMWMQBFOCA-MWLCHTKSSA-N 263.293 1.390 0 50 CDAA C[C@@]1(c2ccccc2)CN(C(=O)C2(C(=O)O)CC2)CCO1 118996483 RZZSSSMOILEVQD-HNNXBMFYSA-N 289.331 1.625 0 50 CDAA Cc1nc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)no1 331657147 SMAKUIIDSKSAMP-VXGBXAGGSA-N 291.282 1.465 0 50 CDAA CC(C)(C)c1noc(CCC(=O)N2CC[C@@H](C(=O)O)C2)n1 236659304 GBACBFFEBZALDY-SECBINFHSA-N 295.339 1.233 0 50 CDAA Oc1cccc(CN2CCN(c3ncccn3)CC2)c1 22591394 SRFBFCYTYGUTNS-UHFFFAOYSA-N 270.336 1.504 0 50 CDAA Cc1cc(C(=O)N2CCN[C@H](c3cccnc3)C2)on1 367238316 PEKUCOLBRBBJQE-LBPRGKRZSA-N 272.308 1.165 0 50 CDAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1cc(F)cc2[nH]cnc12 267262048 UBSSYGNXOIYPOS-WCBMZHEXSA-N 275.283 1.369 0 50 CDAA CN1CC[C@@H](CNC(=O)c2cc(C(F)F)ncn2)CC1=O 823198146 PREODJMFCNYBDP-MRVPVSSYSA-N 298.293 1.012 0 50 CDAA COc1cccc(CNC2(C(N)=O)CCCC2)c1C 930002003 WPAYLOCJCIFFGC-UHFFFAOYSA-N 262.353 1.891 0 50 CDAA COC1(C(F)(F)F)CN(C(=O)Nc2ccnc(C)n2)C1 930841151 ZDCQIRWKTCPOEX-UHFFFAOYSA-N 290.245 1.580 0 50 CDAA Cc1nc(CN(C)Cc2ncc(Br)cn2)no1 931868716 BIPKOZCKVVOZIN-UHFFFAOYSA-N 298.144 1.563 0 50 CDAA C=CC(=O)N1CCC([C@@H]2CCC[C@H]2C(=O)O)CC1 1857787012 XITJLORVYDZMSS-NWDGAFQWSA-N 251.326 1.912 0 50 CDAA CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc[n+]([O-])c1 952876878 HFABSLHYILARHO-TZMCWYRMSA-N 293.367 1.893 0 50 CDAA CS(=O)(=O)c1ccc(-c2nnc3n2CCCC3)cc1 952991739 BVODASHUDDHKKF-UHFFFAOYSA-N 277.349 1.685 0 50 CDAA Cc1cc(CN=c2cc(-c3ccccn3)nc(C)[nH]2)n(C)n1 1875256931 AYRJEJFZQVFNCS-UHFFFAOYSA-N 294.362 1.923 0 50 CDAA CN1CCN(C(=O)c2cn3cccc(Cl)c3n2)[C@H]2C[C@H]21 1875308328 AOOWBUZNHOKNEA-NEPJUHHUSA-N 290.754 1.516 0 50 CDAA CS(=O)(=O)c1cccc(OC[C@H]2C[N@@]2CC2CC2)c1 1875381248 ONAINKDHPTYJCH-IUODEOHRSA-N 281.377 1.563 0 50 CDAA CC1(NS(=O)(=O)c2ccc(-n3nccn3)cc2)CC1 1875313917 XWJMOSICHISLNI-UHFFFAOYSA-N 278.337 1.098 0 50 CDAA CCO[C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1CN 876949973 ZSQQUUJFKUEMOS-ZYHUDNBSSA-N 295.383 1.408 0 50 CDAA Cc1nnc(NC(=O)c2ncsc2C2CC2)n1C 879452554 DWCYMXNOCXHFHD-UHFFFAOYSA-N 263.326 1.710 0 50 CDAA CCNC(=O)NOCC(=O)Nc1ccc(C)cc1 888096877 VIKFQQLGBZLOLV-UHFFFAOYSA-N 251.286 1.184 0 50 CDAA Cc1nc(S)sc1CC(=O)N(C)C[C@H](O)C1CC1 150906296 GTMPVBRFTWUCCH-VIFPVBQESA-N 286.422 1.512 0 50 CDAA COCCCNS(=O)(=O)c1ccc(OC)c(F)c1 30288678 BRGZZLWWLIUUJG-UHFFFAOYSA-N 277.317 1.149 0 50 CDAA Cn1nnc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 300299339 PMSQRUPIIZKJEZ-UPJWGTAASA-N 279.388 1.116 0 50 CDAA C[C@@H](Nc1ncnc(N)c1Cl)c1nnc2ccccn12 302781192 JFBFCLPLBVDXDQ-SSDOTTSWSA-N 289.730 1.928 0 50 CDAA CCc1ccc(CN(CC)[C@@H]2CCS(=O)(=O)C2)nc1 67967802 CIOCYURXCBQUFS-CQSZACIVSA-N 282.409 1.653 0 50 CDAA CN(CCc1cnn(C)c1)Cc1cccc(C(=O)O)n1 97813792 GSGWWQUKGXWZSW-UHFFFAOYSA-N 274.324 1.188 0 50 CDAA OC[C@]1(O)CCCN(c2ncnc3sccc23)C1 313639145 OMQSHBBIGVOZGR-LBPRGKRZSA-N 265.338 1.015 0 50 CDAA Cc1[nH]cnc1CN1CCC[C@@H](N2CCCC2=O)C1 97179481 AEMOALDFRVBRRW-GFCCVEGCSA-N 262.357 1.305 0 50 CDAA Cc1nc(NC(=O)c2cn(-c3ccccc3)nn2)ns1 2100482638 NHBZFNVPOAYSOX-UHFFFAOYSA-N 286.320 1.680 0 50 CDAA COCc1nc(-c2cc(OC)c(OC)c(OC)c2)nn1C 2100542662 CSXKUKNTLLTNCR-UHFFFAOYSA-N 293.323 1.654 0 50 CDAA COc1cc(OC)nc(Oc2ccc(C)nc2C=O)n1 335151 PSGOFOWMWAYRCJ-UHFFFAOYSA-N 275.264 1.802 0 50 CDAA CC(C)C[C@](C)(CO)NC(=O)c1nc[nH]c2nccc1-2 2325757299 YIHJXMXIRNPBSO-CQSZACIVSA-N 276.340 1.436 0 50 CDAA CC1(c2nn[nH]n2)CN(C(=O)c2cc3ccccc3o2)C1 2325806932 OZRBYIAXSQEXHP-UHFFFAOYSA-N 283.291 1.360 0 50 CDAA C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC1 2325806985 RWKZGGDZVIDLIL-SNVBAGLBSA-N 271.324 1.278 0 50 CDAA O=C(O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 46871 JCLJIIGKSJEXHQ-UHFFFAOYSA-N 280.299 1.339 0 50 CDAA O=C(c1ccco1)N1CCN(C(=O)N2CCCCC2)CC1 317966 WZBLZIJGNBJHHN-UHFFFAOYSA-N 291.351 1.643 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC(=O)[C@@H](C)C2)cc1 350767 CEGLVGHCQTVTGP-NSHDSACASA-N 267.350 1.595 0 50 CDAA C[C@@H]1CN(C(=S)NC(=O)c2ccccc2)C[C@@H](C)O1 459149 CPWDRGYZLFDKIL-GHMZBOCLSA-N 278.377 1.811 0 50 CDAA O=C(Cc1cccs1)N1CCN(c2ncccn2)CC1 1054980 YGFSTMFKHHABLH-UHFFFAOYSA-N 288.376 1.429 0 50 CDAA COc1cccc(Nc2ccc([C@@H](O)C(=O)O)cc2)n1 2356146109 RZZKNVDKKWAXQP-CYBMUJFWSA-N 274.276 1.952 0 50 CDAA Cc1nc(-c2nnc3n2[C@H](C)C(=O)N(C2CC2)C3)co1 2356146762 ULIMIRVHBINJAB-SSDOTTSWSA-N 273.296 1.307 0 50 CDAA CCn1ncc(-c2ccnc3cc(C(=O)O)nn23)c1C 2537111 RLWZHDCIBUFLMD-UHFFFAOYSA-N 271.280 1.619 0 50 CDAA CC(=O)Nc1cccc2c(S(N)(=O)=O)cccc12 2583502 OXGMADUQTHJYOL-UHFFFAOYSA-N 264.306 1.446 0 50 CDAA in-vitro CCOc1ccc(S(=O)(=O)NCCOC)cc1C 2871717 OHBWMWGCKZAOEC-UHFFFAOYSA-N 273.354 1.318 0 50 CDAA CCOc1ccc(OCCCCNCCO)cc1 3002069 PIEJLPGZHOAYRQ-UHFFFAOYSA-N 253.342 1.826 0 50 CDAA C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 6425560 FPJDSGXSDUWPCQ-VIFPVBQESA-N 256.346 1.958 0 50 CDAA COCCn1nc(-c2nc(CC(C)C)no2)ccc1=O 109559862 ZCSOOJLWTNUMTA-UHFFFAOYSA-N 278.312 1.138 0 50 CDAA O=[S@@]1CC[C@H](Nc2ncncc2Br)C1 306760241 QXLGMEDGEUJWGL-DXRPGJJCSA-N 276.159 1.172 0 50 CDAA CCOc1ccnc(NCCc2nccs2)n1 65529401 YXMRAQGFQPXKED-UHFFFAOYSA-N 250.327 1.986 0 50 CDAA N[C@@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)[nH]n2)C1 67740015 HOUHNWYVGIGPQS-PHDIDXHHSA-N 262.235 1.038 0 50 CDAA COc1ccccc1CNC(=O)N1CCN2CCC[C@H]2C1 171807180 NFGKUCUXGQOFLT-AWEZNQCLSA-N 289.379 1.685 0 50 CDAA CN(C(=O)c1ccc2c(=O)n(C)c(S)nc2c1)C1CC1 119690910 OZDVOSGAXNRFNZ-UHFFFAOYSA-N 289.360 1.457 0 50 CDAA N=C(N)c1cc(F)cc(CN2CCN3CCCC[C@H]3C2)c1 250758640 SASUXOUGJDENGR-HNNXBMFYSA-N 290.386 1.780 0 50 CDAA Cc1ccccc1C(=O)N1CC2(CC(=O)Nc3nccn32)C1 1364395624 FWFBWOBLRHDYHS-UHFFFAOYSA-N 296.330 1.385 0 50 CDAA COCC1(Cc2nc(-c3n[nH]c(C4CC4)n3)no2)CC1 351390563 YREJSYMZZATLBF-UHFFFAOYSA-N 275.312 1.701 0 50 CDAA Cc1cccc(N([C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 65362824 FQBJBHXMVVALRL-LBPRGKRZSA-N 298.408 1.674 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1CCOCC12CC2 328687496 HBRPOWHFEQOHLZ-UHFFFAOYSA-N 263.341 1.351 0 50 CDAA CC1(C)C[C@@H]1C(=O)Nc1nc(CC(N)=O)cs1 119928996 YZIPFNPBABKKSO-SSDOTTSWSA-N 253.327 1.156 0 50 CDAA CCN1CCN(C(=O)c2cscn2)C[C@H]1c1ncc[nH]1 328627987 NGSIZVDVNSNDGF-NSHDSACASA-N 291.380 1.385 0 50 CDAA Cc1cc(CNC[C@@]2(O)CCCNC2)c(C(F)(F)F)o1 72423591 QJJWFJCMAXOYTD-GFCCVEGCSA-N 292.301 1.811 0 50 CDAA Cn1cccc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)c1=O 357618094 RWDUFFVKGLMEPJ-UKRRQHHQSA-N 282.343 1.919 0 50 CDAA Cc1cc(=O)c(OC[C@H]2CCCS(=O)(=O)C2)co1 328856116 XFDKXIOBYSCAFB-SNVBAGLBSA-N 272.322 1.152 0 50 CDAA CCCc1nc(CN2CC[S@@](=O)CC2(C)C)no1 329950184 MFQXBLNLFADOTL-GOSISDBHSA-N 271.386 1.365 0 50 CDAA O=C(Nc1ccccn1)N[C@H]1COc2ccccc2[C@@H]1O 367290792 MNKILAPDJQWABN-FZMZJTMJSA-N 285.303 1.698 0 50 CDAA O=C(c1cn2ccccc2n1)N1CCC[C@@]2(CCNC2)C1 367408539 VTRHLPAHILRVGB-INIZCTEOSA-N 284.363 1.550 0 50 CDAA NC(=O)c1noc(CN2C[C@H]3C4CCC(CC4)[C@H]3C2)n1 72167223 CKWOOSFEPCQRJO-HWACXVBKSA-N 276.340 1.037 0 50 CDAA OC[C@H]1CCCCN(Cc2ncnn2-c2ccccc2)C1 369185777 AFRVROOBGKOUOH-AWEZNQCLSA-N 286.379 1.862 0 50 CDAA COc1ccc(CCNC(=O)CC[C@H]2CCNC2)cc1F 261908481 WDHWBIDRDGVXNZ-ZDUSSCGKSA-N 294.370 1.883 0 50 CDAA CCc1ccccc1C(=O)N(C)[C@@H]1CCCCNC1=O 376093221 HZAZTNDWZOCLTN-CQSZACIVSA-N 274.364 1.990 0 50 CDAA CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H]2CCOC[C@H]2C)C1 332483954 QBFGKLSBYFTQOM-FVCCEPFGSA-N 270.373 1.667 0 50 CDAA CC(C)c1cc(C(=O)N2CC[C@H](N)C[C@H]2C)nn1C 236602211 XETVYTDVEHIGHK-MNOVXSKESA-N 264.373 1.495 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CC[C@@](C)(C(=O)O)C2)cn1 236762894 OYLNFHIMYUAICQ-CQSZACIVSA-N 279.340 1.575 0 50 CDAA CCc1nn(C)c(Cl)c1CN(C)C[C@@H]1COCCO1 216298964 AVDAPHUYMVGPHI-SNVBAGLBSA-N 287.791 1.483 0 50 CDAA CO[C@H](C)c1nc(C)c(C(=O)N2CCC(CN)CC2)s1 237186916 MMLNHEHXUNWNDR-SNVBAGLBSA-N 297.424 1.970 0 50 CDAA C[C@H](C(=O)NC[C@@]1(O)CCC[C@H]1C)c1ccnn1C 333735104 LOEBIBOBQDQGCR-SUNKGSAMSA-N 265.357 1.191 0 50 CDAA C[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cs2)[C@H]1CN 237521193 VQXAWVMHOBYPLL-SCZZXKLOSA-N 281.381 1.046 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@H]2CN)ccc1-n1cncn1 237685492 AJOIJWRKEFLAHQ-AWEZNQCLSA-N 299.378 1.529 0 50 CDAA O=C(c1cc2c(F)cccc2[nH]1)N1C[C@@H](F)C[C@H]1CO 334350989 FVRDXBVXDUBKDL-IUCAKERBSA-N 280.274 1.852 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc2oc(N)nc2c1 228904031 LSDWRASUCPWKOT-UHFFFAOYSA-N 269.326 1.441 0 50 CDAA Cn1nnc(COc2ccc(C(=O)N3CCCC3)cc2)n1 283605269 UIPFGWHEBAOTPY-UHFFFAOYSA-N 287.323 1.025 0 50 CDAA NC1CC(c2cc(NCCCNc3cccnc3)ncn2)C1 222752893 OGDXEOYXLJKDAI-UHFFFAOYSA-N 298.394 1.990 0 50 CDAA O=C(c1nnc2n1CCCC2)N1Cc2ccccc2[C@H](O)C1 82096878 SXJHSFLEUFWCKZ-CYBMUJFWSA-N 298.346 1.304 0 50 CDAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c(C)c1 222190548 GWFFJZWFYFIQSS-FHIRATQRSA-N 299.326 1.109 0 50 CDAA CS(=O)(=O)c1ccccc1NC(=O)CC[C@H]1CCOC1 176607271 NSYHDFIVDMORRZ-NSHDSACASA-N 297.376 1.845 0 50 CDAA N=c1[nH]cnc2cc(C(=O)N[C@@H]3CCCC[C@H]3O)ccc12 612656526 ZTIKJQMQIPQWJT-DGCLKSJQSA-N 286.335 1.076 0 50 CDAA CCc1ncc(C(=O)N[C@@H](CC)c2nc(C)c[nH]2)cn1 95363632 ZCYXLAUWKOEZRP-NSHDSACASA-N 273.340 1.952 0 50 CDAA CSC[C@@H]1CCCN(C(=O)c2cc(C(C)=O)n[nH]2)C1 97694591 JLLBSYZZFKFIPG-SNVBAGLBSA-N 281.381 1.828 0 50 CDAA Cc1ncc(C(=O)N2CC[C@@](C)(C(=O)O)C2)s1 178260824 XMKSUJIVVOYTRE-LLVKDONJSA-N 254.311 1.388 0 50 CDAA Cn1ncc2c(N)[nH]c(=N[C@@H]3CCc4ccccc4C3)nc21 333107744 WRDJTYOLEMQDJG-GFCCVEGCSA-N 294.362 1.337 0 50 CDAA C[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N(C)C(=O)[C@H]2C(=O)O 239274603 AKWUSLALNWSZRR-CRKIWWBQSA-N 275.304 1.688 0 50 CDAA Cn1cc(NC(=O)N2CC[C@@H]2c2ccccc2)nn1 96133046 KBRJRIRWHJDRGH-LLVKDONJSA-N 257.297 1.794 0 50 CDAA N[C@@H]1CCCC[C@H]1NC(=O)c1ncncc1Cl 178467989 DIYVCFWAWWLPIB-RKDXNWHRSA-N 254.721 1.130 0 50 CDAA Cc1nc(CN(C)Cc2cn[nH]c2C(=O)O)cs1 97527180 AVFAVBNYFVUDBW-UHFFFAOYSA-N 266.326 1.505 0 50 CDAA Cc1nc2ccccc2cc1C(=O)N1CC[C@H](CN)C1 178569286 XYYJGRRYHLRKSE-GFCCVEGCSA-N 269.348 1.964 0 50 CDAA Cc1cc(F)cc(CN2C[C@H](CO)[C@H](CN(C)C)C2)c1 91914963 DGRPCLUZKQLHNZ-HUUCEWRRSA-N 280.387 1.736 0 50 CDAA C1CC(c2n[nH]c(-c3n[nH]c4c3COCC4)n2)CCO1 97547847 GOFRRIHOEAAHSZ-UHFFFAOYSA-N 275.312 1.162 0 50 CDAA CCc1ncc(C(=O)NCc2ccc3c(c2)OCO3)cn1 95365974 PUEXVKYQNSUGCM-UHFFFAOYSA-N 285.303 1.698 0 50 CDAA CN(Cc1cnccn1)c1cc([C@H]2C[C@H](N)C2)ncn1 244633511 GEFSUDDUCMQSQM-XYPYZODXSA-N 270.340 1.108 0 50 CDAA Cc1nc(NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)sc1C 292974901 DTFSUSXCFPHXLM-RCOVLWMOSA-N 267.354 1.613 0 50 CDAA COc1cc(S(=O)(=O)n2cncn2)ccc1Cl 252485293 GQNYRUCJNHUCBM-UHFFFAOYSA-N 273.701 1.177 0 50 CDAA Cc1nn(CCNC(=O)CN(C)C2CCCC2)c(C)c1C 252483613 FFXGKYFFFIQRET-UHFFFAOYSA-N 292.427 1.799 0 50 CDAA C[C@H](CC(C)(C)O)NC(=O)c1cnc2ccccc2n1 296793118 DPKQBSRDPURTOH-SNVBAGLBSA-N 273.336 1.909 0 50 CDAA Cc1cc2ncc(C(=O)N3CC[C@@H](C)C3)c(C)n2n1 299726349 RHKFQJOTWFFCHY-SECBINFHSA-N 258.325 1.828 0 50 CDAA CCc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)[nH]1 534581250 FXERWBFBUXVXBN-GJZGRUSLSA-N 291.395 1.560 0 50 CDAA COC(=O)[C@@H]1CC(=O)CN(C(=O)OCc2ccccc2)C1 261508085 POIFHSVSARRTBH-GFCCVEGCSA-N 291.303 1.387 0 50 CDAA O=C(CCN1Cc2ccccc2C1=O)NCc1cc[nH]n1 534639245 IIFOZANRRTWEOR-UHFFFAOYSA-N 284.319 1.072 0 50 CDAA CCN1C[C@H](Nc2ncc(Cl)cn2)[C@@H](OC)C1 534631113 ICMZTJDFHJJKJM-UWVGGRQHSA-N 256.737 1.261 0 50 CDAA COC(=O)c1ccc(-c2ncc(C(=O)O)cn2)cc1 725264703 KXIQCLOCIKGLCH-UHFFFAOYSA-N 258.233 1.628 0 50 CDAA CCCc1ncncc1C(=O)NCCc1csc(=N)[nH]1 584898644 HHYYLEOFGFQIDQ-UHFFFAOYSA-N 291.380 1.271 0 50 CDAA Cc1nc([C@@H](C)NC(=O)C2=NNC(=O)CC2)c(C)s1 584898067 VCYOPFXJCNLNBZ-ZCFIWIBFSA-N 280.353 1.203 0 50 CDAA CN(C)C[C@@H]1CCN(C2CCCCCC2)C[C@H]1O 823701089 NDGWNBFZSFOHMX-DZGCQCFKSA-N 254.418 1.954 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H]2CCO[C@H]21 1074622199 QYGSDECLVHUHLS-RSLMWUCJSA-N 296.754 1.515 0 50 CDAA O=C1C[C@@H](C(=O)N2C[C@H]3CC[C@H]2C3)CN1c1nccs1 685939561 DJRLKPYVUCYMFY-AXFHLTTASA-N 291.376 1.507 0 50 CDAA CCn1ncc(C(=O)NCCNc2cccc(F)n2)c1C 1093802010 LYKPIHMTXSHOEJ-UHFFFAOYSA-N 291.330 1.587 0 50 CDAA COc1cccc(C)c1C(=O)NCC(=O)N1CCCC1 952969777 CTHSSLHNEFEUDE-UHFFFAOYSA-N 276.336 1.356 0 50 CDAA Cc1nc(CC(=O)N2CC[C@@H]([C@@H](F)C(=O)O)C2)cs1 1548598515 LCDGERNSXCRSSI-LDYMZIIASA-N 286.328 1.265 0 50 CDAA CN(Cc1ncccn1)C(=O)[C@@H](CO)c1ccc(F)cc1 1548766572 VNXVNUZPUGKCJH-ZDUSSCGKSA-N 289.310 1.350 0 50 CDAA CC1(C)CN(C(=O)Cn2cnnn2)CC[C@H]1C(F)(F)F 408344193 VZYSFQIMJDMMTA-MRVPVSSYSA-N 291.277 1.110 0 50 CDAA Cc1cccc(CNC(=O)CN2CCn3cncc3C2)c1 408518961 NBBIJPYWPTWFAR-UHFFFAOYSA-N 284.363 1.324 0 50 CDAA CCc1ccc([C@H](COC)NC(=O)[C@@H]2C[C@@H]2C(=O)O)o1 268914606 OZMLFBWHYYYVLX-VWYCJHECSA-N 281.308 1.366 0 50 CDAA CC(C)c1ncncc1C(=O)N1CCC[C@@H]([C@@H](C)N)C1 269297201 WHURRLBBLNNPOI-VXGBXAGGSA-N 276.384 1.799 0 50 CDAA Cc1nsc(NC(=O)[C@@H]2CCc3[nH]ncc3C2)n1 270450166 RXIOBXVIOGPLPR-SSDOTTSWSA-N 263.326 1.313 0 50 CDAA CC(C)N(CCO)C(=O)Nc1ccc2c(c1)N(C)CCO2 186347961 DZWMBEMTERQRLS-UHFFFAOYSA-N 293.367 1.750 0 50 CDAA CCc1ccc2occ(C(=O)N3CCOCCN3)c2c1 573356969 FXJOPGXCLYVMEU-UHFFFAOYSA-N 274.320 1.972 0 50 CDAA CO[C@@]1(C)C[C@H](Nc2nc(N)c3cnn(C)c3n2)C1(C)C 278284627 FTXQYEJDCUYCBP-XPTSAGLGSA-N 290.371 1.561 0 50 CDAA Cc1ocnc1CN1C(=O)N[C@@H](CC(C)C)C1=O 170592652 ORJGEKAZBZDODI-VIFPVBQESA-N 251.286 1.450 0 50 CDAA CSCC[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)O 170612799 TYUJHPLLXCITSF-NNYUYHANSA-N 255.383 1.995 0 50 CDAA Cc1nccn1C[C@H]1CCCN1c1ncnc2nc[nH]c12 170615806 NOGJPOGKXMKNHK-LLVKDONJSA-N 283.339 1.527 0 50 CDAA CCN(CCCN1CCCC1)C(=O)CN1CCCCC1=O 170607652 QGFTYMCEOJUWFC-UHFFFAOYSA-N 295.427 1.333 0 50 CDAA CCC1(CNC(=O)[C@H](C)c2cncnc2)CCOCC1 553667993 GGDADPGSFXKECQ-GFCCVEGCSA-N 277.368 1.903 0 50 CDAA O=C(c1cc2c([nH]c1=O)CCCC2)N1CCCCO1 189543474 NXDSCUDDBIDJJY-UHFFFAOYSA-N 262.309 1.421 0 50 CDAA Cn1ncc(Cl)c1C(=O)N1CCC[C@H](C(=O)O)C1 578766987 NGOJCHBWDWNEDD-ZETCQYMHSA-N 271.704 1.010 0 50 CDAA Cc1noc(CN(C)Cc2ccccc2C(=O)O)n1 67894867 QAVYSRZTWRGMOT-UHFFFAOYSA-N 261.281 1.708 0 50 CDAA C[C@H]1C[C@H](C(=O)NCCCn2cnnc2O)CC(C)(C)C1 585130080 GYKBSSJBCDZAOU-RYUDHWBXSA-N 294.399 1.952 0 50 CDAA CN1CCC2(CC1)CCN(Cc1nnnn1C(C)(C)C)C2 585116496 YPNLUBGNNUCDMB-UHFFFAOYSA-N 292.431 1.346 0 50 CDAA CCSCCSCC(=O)N=S(C)(C)=O 585118873 GKZUAHBKMJCAAZ-UHFFFAOYSA-N 255.430 1.727 0 50 CDAA CN(C)[S@](C)(=O)=NC(=O)CSc1cccc(O)c1 585119196 WNWFNOGDSPMWRG-GOSISDBHSA-N 288.394 1.585 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@H]1C(F)(F)F 585125860 HOEACXRYPKHJEE-QXEWZRGKSA-N 297.273 1.318 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H]2CCC[C@H]([S@](C)=O)C2)n1 598762254 NFYONEKTYKEPNN-JGRMJRGVSA-N 297.424 1.884 0 50 CDAA O=C(NS(=O)(=O)c1cnc2ccccc2c1)C1CC1 791953364 JDKLKVDLDZXQFC-UHFFFAOYSA-N 276.317 1.450 0 50 CDAA N[C@]12CCC[C@H]1CN(C(=O)C1CC3(C1)CC3(F)F)C2 1615622430 SNQDCYVZDNBNPP-MZYPSXCRSA-N 270.323 1.762 0 50 CDAA O=C(C[C@@H]1CNCCO1)NCc1ccc2sccc2c1 215944789 PJAQRHWJNIYTGE-CYBMUJFWSA-N 290.388 1.896 0 50 CDAA CNC(=O)[C@@H]1CCN(c2nnc(C)c3ccccc23)C1 1506404637 ZNDLWIYVSAELPB-LLVKDONJSA-N 270.336 1.511 0 50 CDAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)c1n[nH]c(=N)s1 1857673942 ULBNOJCGWZGCCL-SECBINFHSA-N 295.412 1.178 0 50 CDAA N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCCc1ccccc1 222066839 PPFMTCKGJJEQRA-ZQDZILKHSA-N 258.365 1.719 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1cccs1 222428903 QYLRKLRVQQRJDU-CHWFTXMASA-N 279.317 1.019 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(F)c(F)c3F)C[C@H]12 225350383 XNOJANNEYKOPGR-OVYXKVPISA-N 284.281 1.913 0 50 CDAA Cc1ocnc1C(=O)NC1CCC(C(=O)O)CC1 225483541 OFTHXUDKNFSIRB-UHFFFAOYSA-N 252.270 1.356 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCC(F)CC1 1615549896 XGPKZNZOUFDALQ-MRXNPFEDSA-N 292.354 1.756 0 50 CDAA COC1CCC(N(C)S(=O)(=O)C[C@@H]2CCOC2)CC1 408175080 PFGQGBHVGNFVIS-PNESKVBLSA-N 291.413 1.242 0 50 CDAA Cc1cc(NC[C@H]2CCNC[C@@H]2O)nc(-c2ccccc2)n1 216808490 BWROFYHDOHAMFN-CABCVRRESA-N 298.390 1.834 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(c1ccc(C(N)=O)cn1)C2 1704306180 SDZMMGIHXUDMPD-CZUORRHYSA-N 289.379 1.966 0 50 CDAA CN1CCN(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 5021139 HAKQYTWWMFKSNV-UHFFFAOYSA-N 275.396 1.876 0 50 CDAA Cc1cc(Cl)ccc1CN1CC[C@H](C(=O)O)[C@H](O)C1 1704312581 GAKBUZNJBXOCNU-QWHCGFSZSA-N 283.755 1.916 0 50 CDAA O=c1c2ccc(F)cc2ncn1CC1(O)CCCC1 536613472 AQWWOOABKDAOHH-UHFFFAOYSA-N 262.284 1.841 0 50 CDAA COc1ccccc1CCN(C)C(=O)[C@@H]1CSCN1 158786393 UIBLNHOONIZUAC-LBPRGKRZSA-N 280.393 1.359 0 50 CDAA O=C(c1ccc2nn[nH]c2c1)N1CCC[C@H](C2(O)CC2)C1 1772806649 ZSQLSUYEGPNEFH-NSHDSACASA-N 286.335 1.335 0 50 CDAA CC(C)C(=O)N[C@H](C(N)=O)c1nnc(-c2ccccc2)o1 1775976728 PDWBNKWJIHORHF-SNVBAGLBSA-N 288.307 1.035 0 50 CDAA CC[C@]12C[C@H]1CN(C(=O)c1cnn3ccn(C)c13)C2 1772805663 ONDURCIRUIOANF-IINYFYTJSA-N 258.325 1.545 0 50 CDAA COc1ccc(C(=O)OC2CCN(C)CC2)cc1OC 5013128 UWQSSCODGAHWKH-UHFFFAOYSA-N 279.336 1.955 0 50 CDAA COc1cccc(C[C@@H]2CN(Cc3ncc[nH]3)CCO2)c1 12299659 XFKKFSQOHONAQE-OAHLLOKOSA-N 287.363 1.862 0 50 CDAA O=c1cc(-c2ccccc2)nc(N2CCOCC2)[nH]1 13303733 AWTRFGBAOOYGSF-UHFFFAOYSA-N 257.293 1.274 0 50 CDAA COc1cc(NC(=O)CN(C)C)c(OC)cc1Cl 13322920 OMCCJGRQIMNZGN-UHFFFAOYSA-N 272.732 1.857 0 50 CDAA CC[C@H](C)NC(=O)c1cnc2sccn2c1=O 16626555 DLNSWMSYALJONK-ZETCQYMHSA-N 251.311 1.284 0 50 CDAA Cc1c[nH]nc1CNC(=O)c1n[nH]c2c1C[C@@H](C)O[C@H]2C 1857528556 AEALSYHOSFYQSQ-BDAKNGLRSA-N 289.339 1.393 0 50 CDAA O=C(NCc1ccc(F)cc1Cl)[C@H]1C[C@@H](O)C1 1857692777 TZGZJWJFQNDZMH-WAAGHKOSSA-N 257.692 1.866 0 50 CDAA O=C(NC[C@H]1CCCOC1)C1CN(C2CCCCC2)C1 408520174 PGKSFCFATRYTLQ-CYBMUJFWSA-N 280.412 1.794 0 50 CDAA CCc1nc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)n[nH]1 225652468 MEMFFCPTPMYDFC-CHWSQXEVSA-N 290.342 1.814 0 50 CDAA Cc1ccccc1OCCCNC(=O)C1(C(=O)O)CC1 118962969 HXWMQESLUMCQAL-UHFFFAOYSA-N 277.320 1.745 0 50 CDAA CCN1CC[C@@H](N(C)C(=O)Nc2cn[nH]c2)[C@@H](C)C1 229363730 GSRJMVHMYWOIST-CMPLNLGQSA-N 265.361 1.604 0 50 CDAA Cc1cccn2cc(CNC(=O)[C@@](C)(O)C3CCC3)nc12 362762073 FFEOHHKXOGYCRY-INIZCTEOSA-N 287.363 1.810 0 50 CDAA Fc1ccc([C@H]2CN(Cc3cnn[nH]3)CCO2)c(F)c1 580522399 HQMBSLWIJOCPDD-CYBMUJFWSA-N 280.278 1.656 0 50 CDAA C[C@]1(C(=O)NC[C@@H]2CCCN2)CC(c2ccccc2)=NO1 928995546 AELPUGHVINIRNW-XJKSGUPXSA-N 287.363 1.438 0 50 CDAA Cc1nn(C)c2c1C[C@@H](Nc1cc(F)ncn1)CN2 952994784 QKEOXAUMKZTSGW-MRVPVSSYSA-N 262.292 1.106 0 50 CDAA O=C(N[C@H]1CC=CC[C@H]1C(=O)O)[C@@H]1CC[C@H]2C[C@@H]1CO2 1875291798 LVJWYBMGQICBBJ-MLGHIDQZSA-N 279.336 1.337 0 50 CDAA O=C(NOCCN1CCCC1=O)[C@H]1C=CCCC1 1875268120 YQIMNXXSEGKSKB-NSHDSACASA-N 252.314 1.013 0 50 CDAA Nc1cccc(-c2cn(CCN3CCCCC3)nn2)n1 1875282301 WNJLAPLOTKUINO-UHFFFAOYSA-N 272.356 1.408 0 50 CDAA COC1(CNc2cnn(-c3ccccc3)n2)CCOCC1 1875284150 ORZIOIMGCHFOQF-UHFFFAOYSA-N 288.351 1.875 0 50 CDAA C=CC(=O)NC1(C(=O)O)CCN(c2ccccc2)CC1 1875369864 MWPRZHLQBURYOK-UHFFFAOYSA-N 274.320 1.412 0 50 CDAA Cc1nnc(CNC(=O)c2nnc(-c3ccccc3)o2)o1 1875307620 GHSUDTSYLMZSKD-UHFFFAOYSA-N 285.263 1.358 0 50 CDAA COc1nn(C)cc1CNC(=O)[C@]12CCC[C@H]1OCC2 890021841 AUJMZTZHNPSTKN-RISCZKNCSA-N 279.340 1.004 0 50 CDAA Cc1nc(N2CCN(CC3CC3)CC2)c2c[nH]nc2n1 1775985787 SBQJBRFMVHENJA-UHFFFAOYSA-N 272.356 1.193 0 50 CDAA O=C(CN1C(=O)CCC1=O)c1ccccc1Cl 38342451 ABHPRWSHYMYPFD-UHFFFAOYSA-N 251.669 1.672 0 50 CDAA in-vitro O=C1COc2nc(I)ccc2N1 39961378 XGPPXLXJNTXAQP-UHFFFAOYSA-N 276.033 1.017 0 50 CDAA in-vitro C[C@@H]1CN(CC(=O)N[C@H](C)c2ccccc2)C[C@@H](C)O1 13119502 YSPFGNHRGXHSCG-MGPQQGTHSA-N 276.380 1.973 0 50 CDAA CCn1nccc1CN(C)CC(=O)NC1CCCCC1 352355882 FJXVGCKRKYIJOJ-UHFFFAOYSA-N 278.400 1.784 0 50 CDAA O=C1N(Cc2ccccc2F)CCC[C@]12CCNC2 72128131 NOUPDKOEUMINCV-OAHLLOKOSA-N 262.328 1.928 0 50 CDAA Cc1nc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)sc1C 426361909 IBRGYYARXNCURL-VHSXEESVSA-N 282.365 1.877 0 50 CDAA Cn1c(CCN)nnc1SCc1cncs1 426477814 ADMQITAHXQSDGJ-UHFFFAOYSA-N 255.372 1.065 0 50 CDAA c1cc(NC2CCN(C3CCOCC3)CC2)ncn1 91326646 KZBBBLCEHCYHTH-UHFFFAOYSA-N 262.357 1.532 0 50 CDAA CCCOC[C@@H]1CCN(c2nc(N)ncc2CC)C1 95387754 XUSGYGPENDBWFA-LLVKDONJSA-N 264.373 1.874 0 50 CDAA Cc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)o1 685940724 SCEAMMNADOJPIE-NSHDSACASA-N 281.308 1.445 0 50 CDAA Cc1cc(=N[C@@H]2C[P@@](C)(=O)C[C@H]2O)[nH]c(CC2CC2)n1 2325792873 RUPQAWLZPUBKII-FKANQGBASA-N 295.323 1.307 0 50 CDAA Cc1coc(CC(=O)O)c1C(=O)NC1[C@H](C)[C@H]1C 2325797845 XSTCDVJFGNXWOD-HTQZYQBOSA-N 251.282 1.599 0 50 CDAA C[C@H]1CCN(c2cc(C(=O)Nc3cnn[nH]3)ccn2)C1 1447925420 KHSBYODXGUEGSL-VIFPVBQESA-N 272.312 1.298 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(O)c1 36961 JCRNAELNYJDDSA-LBPRGKRZSA-N 276.292 1.583 0 50 CDAA CN1C(=O)[C@](O)(CC(=O)c2ccccc2O)c2ccccc21 49254 HSYLWSWQNACGOH-KRWDZBQOSA-N 297.310 1.829 0 50 CDAA biogenic O=C1Nc2ccccc2[C@@](O)(C(=O)O)N1c1ccccc1 197339 GQJRKPKKZCYDOO-OAHLLOKOSA-N 284.271 1.968 0 50 CDAA COc1ccccc1N1CCN(C(=O)CCC(=O)O)CC1 340577 XYMOYUJPBNIGDX-UHFFFAOYSA-N 292.335 1.209 0 50 CDAA CC(=O)Nc1ccc(C(=O)CSc2nnnn2C)cc1 795863 RYENMDCPZGOHKN-UHFFFAOYSA-N 291.336 1.144 0 50 CDAA CCOc1ccc(N[C@H]2SC(=O)NC2=O)cc1 969687 OUVVLTAOIXDUGL-JTQLQIEISA-N 252.295 1.806 0 50 CDAA CCOc1ccc(-c2nnn(C[C@H]3CCCO3)n2)cc1 340674477 IPPHSBAHWOPJMC-CYBMUJFWSA-N 274.324 1.918 0 50 CDAA Cn1[nH]c(=NC(=O)[C@H]2CCCO2)c2c(Cl)cccc21 2356148291 PHNVKYWXWPSLCQ-SNVBAGLBSA-N 279.727 1.766 0 50 CDAA Cc1nc(=Nc2cccc(N3CCN(C)C3=O)c2)s[nH]1 2356154225 NHESNEHXEOKYCD-UHFFFAOYSA-N 289.364 1.884 0 50 CDAA Cc1cnn(CC2CC2)c1NC(=O)c1cn(C)cn1 1323053321 WWIALYYSIDPVNL-UHFFFAOYSA-N 259.313 1.587 0 50 CDAA COC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O 4542527 MWVBDAKFHCEUQH-UHFFFAOYSA-N 258.277 1.392 0 50 CDAA CC(=O)Nc1nc2ccccc2n1CCCN(C)C 4549237 LEBIPWMXFWJHMF-UHFFFAOYSA-N 260.341 1.946 0 50 CDAA CC(C)(C)N1C[C@@H](C(=O)Nc2nncs2)CC1=O 4975739 LDSYARHUZDNNAW-ZETCQYMHSA-N 268.342 1.124 0 50 CDAA CCOC(=O)N1CCN(c2nc(C(C)C)cc(=O)[nH]2)CC1 6705527 YISUKNOHAFZFGF-UHFFFAOYSA-N 294.355 1.172 0 50 CDAA NC(=O)c1cc(S(=O)(=O)NC2CCCC2)cs1 6859471 OEFQDDPQIJZTQN-UHFFFAOYSA-N 274.367 1.068 0 50 CDAA O=C(NCCNCc1cccnc1)c1ccccc1 7093571 LOCCZYMCFLUTQL-UHFFFAOYSA-N 255.321 1.601 0 50 CDAA CCOc1cccc2c1OCC(C(=O)N(C)CC(=O)O)=C2 348155217 FSQXIXVQPJUXGF-UHFFFAOYSA-N 291.303 1.404 0 50 CDAA COc1cccc2c(N3CCC[C@](O)(CO)C3)ccnc12 413395614 HYLOBBIAECGYPF-MRXNPFEDSA-N 288.347 1.567 0 50 CDAA CN1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1 9196223 XGOWDSXOGASSCE-UHFFFAOYSA-N 288.326 1.328 0 50 CDAA Cc1nnc(NC(=O)N2CCCC[C@@H]2CCO)s1 55281840 FMBNWJJSLCQMOE-SECBINFHSA-N 270.358 1.615 0 50 CDAA CC[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2)CC1 55376401 JYZVPFFSZOGXED-CYBMUJFWSA-N 282.409 1.791 0 50 CDAA CNC(=O)[C@H](Nc1ccnc2c1cnn2C)C(C)C 342786314 VPCRDWSSRWEHLL-LLVKDONJSA-N 261.329 1.151 0 50 CDAA COCCN1C[C@@H](C(=O)N2CCC3(CCCC3)C2)CC1=O 173730154 NACPMEDLEOHSOZ-ZDUSSCGKSA-N 294.395 1.274 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2N)C[C@@H](C)S1 251610648 GWGZBXPEDSFHFS-PQCBQTOFSA-N 268.426 1.712 0 50 CDAA CNC(=O)C[C@@H](C)N(C)Cc1nc2c(s1)CCCC2 65380258 LYSWTOIKNDWKQH-SNVBAGLBSA-N 281.425 1.978 0 50 CDAA NC1(C(=O)Nc2cnc3c(c2)CCCC3)CCOCC1 423765165 TWPIYGDONCLXTM-UHFFFAOYSA-N 275.352 1.407 0 50 CDAA O[C@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccccc1 229502685 ZJXUYWPIZSAKKS-HZPDHXFCSA-N 287.363 1.318 0 50 CDAA C[C@H](CCO)NC(=O)Nc1nc2c(s1)CCCC2 121069891 FHQZDVMDKQHAQF-MRVPVSSYSA-N 269.370 1.914 0 50 CDAA O=C(CN1CCCC1=O)Nc1ccc2nc(S)[nH]c2c1 121711955 VLCMHHDHJSFUPC-UHFFFAOYSA-N 290.348 1.413 0 50 CDAA CC(C)Cc1nsc(N2CCO[C@H]3CCN(C)C[C@H]32)n1 328590764 DLCBBSLPGPZETL-NEPJUHHUSA-N 296.440 1.646 0 50 CDAA CC(=O)[C@](C)(O)CN(C)Cc1cnn(-c2ccccc2)c1 253432070 ZSCZANLUQUDXAQ-MRXNPFEDSA-N 287.363 1.644 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCCCO2)C1 328625838 DOAPFIPXNRBJIN-LSDHHAIUSA-N 296.411 1.125 0 50 CDAA CCOCC(=O)N1C[C@H](NC(C)=O)CC[C@@H]1C(F)(F)F 330584599 UDWWEEUTAGPZRW-NXEZZACHSA-N 296.289 1.081 0 50 CDAA COC[C@]1(C(=O)O)CCN(C(=O)c2ccoc2C(C)C)C1 263168997 YPLSPYMBONQNRF-HNNXBMFYSA-N 295.335 1.966 0 50 CDAA COc1cc(CN2CC(N3CCOCC3)C2)ccc1F 216171226 NFORBDMJNTVFQZ-UHFFFAOYSA-N 280.343 1.351 0 50 CDAA Cn1nnc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)ccc21 154027562 UFCHNIZUXPHENB-LLVKDONJSA-N 288.351 1.656 0 50 CDAA O=C([C@@H](O)C1CCCCC1)N1CC[C@@H](N2CCCC2)C1 363850708 DRFIGHDMHNBPNI-CABCVRRESA-N 280.412 1.624 0 50 CDAA O=C(Nc1ccn(CC(F)(F)F)n1)[C@@H]1CCCOC1 154821393 ZNYVRODCPQBZCD-MRVPVSSYSA-N 277.246 1.811 0 50 CDAA Cn1cccc1CNC[C@H]1CCCN1c1cccnn1 364545467 ZBOZYYYHUOWCKW-CQSZACIVSA-N 271.368 1.574 0 50 CDAA N[C@H]1CCN(C(=O)c2ccccc2OCC2CC2)C1 132488678 UNXHZJAKBNUBSY-LBPRGKRZSA-N 260.337 1.649 0 50 CDAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(C)Cc1ncc[nH]1 332331054 PTVDKMIKLMBKAZ-JTQLQIEISA-N 289.383 1.597 0 50 CDAA c1nc(N2CCOCC3(CCC3)C2)c2nc[nH]c2n1 368699718 HXVWVUKKLDHEIW-UHFFFAOYSA-N 259.313 1.360 0 50 CDAA COc1cc(/C=C/C(=O)N2CC[C@@H](N)C2)cc(OC)c1 132527488 ITOXYTFNLNZTQD-AAOUONPWSA-N 276.336 1.277 0 50 CDAA CN(CCCO)C(=O)[C@@H]1COc2ccc(Cl)cc21 369110524 BTISGFBCRMLDKY-LLVKDONJSA-N 269.728 1.657 0 50 CDAA Nc1c(C(=O)NC2CC=CC2)sc2nccnc12 128152127 CKQHBVGOHNAHSK-UHFFFAOYSA-N 260.322 1.722 0 50 CDAA O=C(Nc1cnc2c(c1)CCCC2)N[C@H]1C[C@@H](O)C1 333517266 NECSPWBBSZOZIU-KLPPZKSPSA-N 261.325 1.605 0 50 CDAA CC1(C)CN(C(=O)Cc2cc[nH]n2)C[C@@]2(CCCOC2)O1 373604819 SQTFVPXQFFRDNE-OAHLLOKOSA-N 293.367 1.139 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)CCc2ccsc2)CCO1 238193642 XTMOAHWUBOQNQH-LLVKDONJSA-N 283.349 1.383 0 50 CDAA C[C@@H](NC(=O)c1cccnc1O)c1cn2ncsc2n1 218896222 SEEHWRDLWPNBBQ-SSDOTTSWSA-N 289.320 1.382 0 50 CDAA Cc1ccccc1NCCC(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 263261735 UUXPEMPHGWRDOW-CHWSQXEVSA-N 290.363 1.976 0 50 CDAA CC(=O)N1CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1 173031540 PXXXQWDBYMVEFI-UHFFFAOYSA-N 286.253 1.666 0 50 CDAA COCC(=O)N1CCC(c2nccn2CC2CC2)CC1 82108947 AZCNVADHAQHXER-UHFFFAOYSA-N 277.368 1.646 0 50 CDAA Cc1c[nH]c(C(=O)N(C)[C@@H](C)Cc2cnccn2)n1 223107095 VVBJFXMUECBTGK-JTQLQIEISA-N 259.313 1.211 0 50 CDAA COc1ccccc1CCC(=O)NCC1(C)COC1 83519776 LCPNTVJHWPFIRQ-UHFFFAOYSA-N 263.337 1.781 0 50 CDAA CCOC(=O)/C=C1\S[C@H](N2CCCC2)C(=O)N1C 96027916 HWOHDHRCYDZIOM-LAUAKBEESA-N 270.354 1.018 0 50 CDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cccn1C)C2 91616888 GUJIMXFJINYLPY-QWHCGFSZSA-N 289.379 1.498 0 50 CDAA CC(C)N1CCC[C@@H](C(=O)NCCc2ncc[nH]2)C1 426478134 QYUQTLFBQBPDAO-GFCCVEGCSA-N 264.373 1.189 0 50 CDAA C1CCc2c(CCc3nc([C@@H]4CCOC4)no3)n[nH]c2C1 96166035 LLZCWGUHMSZEQP-SNVBAGLBSA-N 288.351 1.961 0 50 CDAA COC(=O)NCC(=O)N1CCC[C@](C)(c2ccccc2)C1 91915489 SOQKJMFJXYMDDR-INIZCTEOSA-N 290.363 1.923 0 50 CDAA CC(C)Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)n(C)n1 91440755 PWSDXVRCNGNDML-AWEZNQCLSA-N 290.411 1.539 0 50 CDAA CN(C)c1nc(NCCc2cnccn2)ncc1F 95363561 UHLOMIWKMRYPGI-UHFFFAOYSA-N 262.292 1.126 0 50 CDAA O=c1c2ccccc2cnn1Cc1noc([C@@H]2CCCO2)n1 95360375 YYBBACJJDGJDMP-LBPRGKRZSA-N 298.302 1.679 0 50 CDAA Cc1ccc(F)cc1CN1CCC([C@@H](O)C(N)=O)CC1 299746662 YYBMRJQGVIBSTR-CQSZACIVSA-N 280.343 1.192 0 50 CDAA Cc1cnc(C)c(=N[C@@H]2CCCN(C(=O)C(C)C)C2)[nH]1 534672424 QJRTZJAKWPZGMS-CYBMUJFWSA-N 276.384 1.574 0 50 CDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CC[C@@H](N)C1 534588968 HMEJXSOHTRDOHG-GXSJLCMTSA-N 290.342 1.788 0 50 CDAA NC(=O)Cn1cc(C(F)(F)F)cc(Br)c1=O 263623136 DYQRETFUQBIAQW-UHFFFAOYSA-N 299.046 1.115 0 50 CDAA COc1ccc(CCNC(=O)N2CC[C@@H](CO)C2)cc1 265980181 WDZVYVVOFWWFSP-CYBMUJFWSA-N 278.352 1.262 0 50 CDAA O=C(O)C[C@H]1CN(CC2=CCCCC2)C[C@H]1c1c[nH]nn1 299769298 LSSKGZUMYCNIOK-QWHCGFSZSA-N 290.367 1.795 0 50 CDAA Cc1cc(O)cc(C(=O)NC2(CN3CCCCC3)CC2)n1 299767651 IQEPRFIGSNSGKE-UHFFFAOYSA-N 289.379 1.844 0 50 CDAA C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)NC1=O 725255810 NBDOHMORQPXESJ-TVQRCGJNSA-N 254.330 1.522 0 50 CDAA CCCCCN1CCC[C@@H]1CNC(=O)c1cnn(C)c1 585136764 RMPHMYNQFBVTEV-CQSZACIVSA-N 278.400 1.805 0 50 CDAA Cn1cc(NC(=O)OCc2ccccc2)c(C(=O)O)n1 725205909 YHSJCPJYDLVWGX-UHFFFAOYSA-N 275.264 1.867 0 50 CDAA COc1ncc(CN(C)Cc2cccc(O)c2)cn1 824851808 JCWPFYOTDWVNJL-UHFFFAOYSA-N 259.309 1.823 0 50 CDAA CC(C)O[C@H]1CN(C(=O)c2n[nH]c3ccccc23)C[C@@H]1O 584897579 UPTXLWSCDNPSSU-STQMWFEESA-N 289.335 1.173 0 50 CDAA CN1CCCC[C@@H]1CCNC(=O)c1c[nH]c(=N)s1 584896619 UFNMQILJUSSAQO-SECBINFHSA-N 268.386 1.160 0 50 CDAA CCCOc1ccc(C(=O)N[C@H]2COC[C@@H]2O)cc1Cl 584884308 RPRNORKSTWHPLB-RYUDHWBXSA-N 299.754 1.618 0 50 CDAA Nc1ncc(CN2CCC[C@@H](CN3CCCC3=O)C2)s1 670460130 JWBWWFDITGSAHP-LLVKDONJSA-N 294.424 1.560 0 50 CDAA CC(C)[C@H](C)C(=O)NC(=N)NC(=O)c1ccccc1 675072206 ALWZPTQFWDERIS-JTQLQIEISA-N 261.325 1.759 0 50 CDAA COc1nc(N(C)Cc2noc(C3CCC3)n2)ncc1F 670454133 MLDIECBVPNSNID-UHFFFAOYSA-N 293.302 1.911 0 50 CDAA CCNc1nc(C)c(C(=O)NCCOCC)s1 748027382 OLYSUFDXTNFSNS-UHFFFAOYSA-N 257.359 1.650 0 50 CDAA Cc1cnc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1 241121711 JDJDJMXLVRVYAV-MNOVXSKESA-N 288.438 1.897 0 50 CDAA CCn1cccc(CNC(=O)[C@H]2CCCO[C@H]2C)c1=O 408473754 SZJAYCGVGAFMFI-AAEUAGOBSA-N 278.352 1.300 0 50 CDAA COC(=O)[C@H]1CC[C@@H](NC(=O)N2[C@H]3CC[C@H]2CC(=O)C3)C1 408522910 DXKRTMZCWHXTBC-USZNOCQGSA-N 294.351 1.234 0 50 CDAA CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1O[C@@H](C)C[C@H]1C 408053018 NGVFMYKTGQZUDD-UKTARXLSSA-N 296.411 1.707 0 50 CDAA COc1ccc2c(c1)[C@@H](NC[C@H](O)CN(C)C)CCCO2 305112172 GIVXVRZWBZVMSE-WFASDCNBSA-N 294.395 1.421 0 50 CDAA Cc1cc(NC(=O)CN2CCC[C@]2(C)CCCO)no1 271191797 MMWVEEMZWNERAH-CQSZACIVSA-N 281.356 1.549 0 50 CDAA Cn1ccc2c(C(=O)N3CCOC[C@@H]3C(=O)O)cccc21 169796787 PMKMYBIJYRDZAA-CYBMUJFWSA-N 288.303 1.104 0 50 CDAA Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)C2COC2)s1 277103193 UDPKUHSPQITSJM-QMMMGPOBSA-N 290.410 1.481 0 50 CDAA Cc1csc([C@H]2COCCN2Cc2nnc(C)n2C)n1 170086311 ZWEVVHFSHPGCCV-LLVKDONJSA-N 293.396 1.462 0 50 CDAA C[C@H](NCCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1 170072098 HSAWFHVYNFXZHA-VIFPVBQESA-N 294.305 1.769 0 50 CDAA CC(C)N(CCO)C(=O)Nc1cccnc1Cl 170594795 MSLOVZWPADJEGN-UHFFFAOYSA-N 257.721 1.970 0 50 CDAA CN(CCN(C)S(=O)(=O)c1ccco1)CC(F)F 170619765 SBDCYPQRMKNNQD-UHFFFAOYSA-N 282.312 1.097 0 50 CDAA CC(C)=CCCNC(=O)[C@H]1CC[C@H](C(=O)O)N1C1CC1 663223768 FQIBIGRBXFIUQW-CHWSQXEVSA-N 280.368 1.539 0 50 CDAA CC(C)O[C@H]1C[C@H](NCc2cc(C(=O)O)nn2C)C1(C)C 635309369 WVNNPLYMYCTFDU-STQMWFEESA-N 295.383 1.800 0 50 CDAA CO[C@@H](Cn1ccc(=O)c2cnn(C)c21)C1CCCC1 664024679 LXFBZZDJHCUMCN-AWEZNQCLSA-N 275.352 1.940 0 50 CDAA c1cnc(N2CCN(CC[C@H]3CCCO3)CC2)cn1 188895840 NWJCYRWEBXORDY-CYBMUJFWSA-N 262.357 1.168 0 50 CDAA Cc1cnccc1CNC(=O)[C@H]1CCCc2[nH]ncc21 188900733 RYVOBKADNVXHPB-LBPRGKRZSA-N 270.336 1.849 0 50 CDAA CN(C)C(=O)CCCn1nnc(-c2ccsc2)n1 191736801 SXBZCIGYXYVRKD-UHFFFAOYSA-N 265.342 1.270 0 50 CDAA CCO[C@H]1C[C@H](NCc2cncnc2OC)C12CCC2 647186369 KQGBJVMNQKTARV-STQMWFEESA-N 277.368 1.923 0 50 CDAA O=C(C[C@@H]1COCCN1)NCc1csc2c1CCCC2 72166913 QEJUMANLVCKNPF-GFCCVEGCSA-N 294.420 1.622 0 50 CDAA O=C(NCc1cc2n(n1)CCCO2)[C@H]1C[C@@H]1C(F)F 655085557 CSSBAVOQVXCBHV-IUCAKERBSA-N 271.267 1.183 0 50 CDAA C/C(=C\C(=O)N1CCO[C@@H](C(=O)O)C1)c1ccc(F)cc1 584908044 AIIUVDPYRPCEFX-AORWBKJGSA-N 293.294 1.541 0 50 CDAA C=CC(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 585124603 JFEDIYMXAJMURI-MRVPVSSYSA-N 264.247 1.232 0 50 CDAA Cc1c(Cl)nnc(N2CCN3C(=O)OCC[C@H]3C2)c1C 585118539 SOBVJPICFKCIIY-JTQLQIEISA-N 296.758 1.778 0 50 CDAA O=C1CC[C@@H]2CN(C(=O)NCc3ccco3)CC[C@H]2N1 656548057 PZRUBDITWRWIGH-ZYHUDNBSSA-N 277.324 1.090 0 50 CDAA Cc1cc2n(n1)CCN(C[C@H](O)c1ccccc1)C2 244787723 QCLQJIZWWBCOAE-HNNXBMFYSA-N 257.337 1.741 0 50 CDAA O=C(O)[C@@H]1Cc2cc(F)ccc2N(C(=O)C2CC2)C1 1615055879 FANSDFCHWAELRY-SNVBAGLBSA-N 263.268 1.826 0 50 CDAA O=c1nc2cccccc-2n1Cc1noc(C2CC2)n1 1615548299 CZHXCWXMXGHBCP-UHFFFAOYSA-N 268.276 1.657 0 50 CDAA CCc1csc(=NC[C@@H](O)c2ccc(O)cc2)[nH]1 1875279436 FXNONJMRJQNZSM-GFCCVEGCSA-N 264.350 1.979 0 50 CDAA CN1C[C@@H](NC2CSCCSC2)CCC1=O 1506426875 TZSMTIKATLBAHW-VIFPVBQESA-N 260.428 1.045 0 50 CDAA Cc1cc(CN2CCCN(c3ncccn3)CC2)on1 215064666 PIBHIITWUJAGLL-UHFFFAOYSA-N 273.340 1.485 0 50 CDAA CC1(C)C[C@@H](O)CCN(C(=O)CCC2=NNC(=O)CC2)C1 1506420021 QMZJZVBPSOSUAW-LBPRGKRZSA-N 295.383 1.042 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)CCCc1cn[nH]c1 1506400377 MALNZZCURLLRBT-UHFFFAOYSA-N 261.329 1.423 0 50 CDAA CC[C@@H](CN1CCN(c2ccnc(C)n2)CC1)OC 419249166 RONHFDUOOTUROG-ZDUSSCGKSA-N 264.373 1.332 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)o1 331699208 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Cn1cc(CNC(=O)c2cc(Cl)cc(F)c2N)cn1 225557181 UXZQWSVBKWJUQT-UHFFFAOYSA-N 282.706 1.725 0 50 CDAA CCOc1ccc(CNCC2(O)CCOCC2)cc1OC 112717041 DWQPINGMFBLHOY-UHFFFAOYSA-N 295.379 1.725 0 50 CDAA CCN1CCN(C(=O)c2ccccn2)C[C@@H]1c1ncc[nH]1 328633353 SNLNWLVPTHTREY-CYBMUJFWSA-N 285.351 1.324 0 50 CDAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@H]2c2ccco2)n1 124322306 RRPHTZVGOYLLOT-SFYZADRCSA-N 292.316 1.854 0 50 CDAA C[C@H](Cc1cnn(C)c1)NC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 333433212 UWFFUZXWGDJFEC-FOUMNBMASA-N 262.357 1.449 0 50 CDAA CC(C)(C)OC(=O)N1CC(F)(F)C[C@]2(CCNC2=O)C1 238172296 NBGABIOSBPKNEQ-GFCCVEGCSA-N 290.310 1.769 0 50 CDAA in-vitro O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 250870770 SJXXQTPPKPMSSW-WHOHXGKFSA-N 251.326 1.888 0 50 CDAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1CO 153865146 LVKMARPWZFKATR-CQSZACIVSA-N 285.347 1.778 0 50 CDAA Cn1c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cccc1=O 262843852 ANTARTPCVJFUSF-NSHDSACASA-N 292.335 1.102 0 50 CDAA O=C(O)Cc1ccc(NC(=O)C[C@@H]2CCCO2)cc1F 263172061 JLFNZFASSZGQHD-NSHDSACASA-N 281.283 1.960 0 50 CDAA Cc1nnc([C@@H](C)N[C@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)s1 926164455 MJSVRSVSALUCBV-XZMQYTDVSA-N 265.382 1.921 0 50 CDAA Cn1nncc1NC(=O)N1CCC[C@H]1c1ccc(O)cc1 931277502 PZEDMVQSSRJDLI-LBPRGKRZSA-N 287.323 1.890 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)co1 864384502 KUPPQUOJPKMCPH-SECBINFHSA-N 260.297 1.523 0 50 CDAA C[C@H](C(=O)N1CCOC[C@H]1CC(=O)O)c1ccccc1 235443911 LTGJBSNVBCHCRV-WCQYABFASA-N 277.320 1.492 0 50 CDAA Cc1n[nH]cc1[C@H](C)NCc1cnn2c1CN(C)CC2 952890088 RTPVZBJMNMQZFV-JTQLQIEISA-N 274.372 1.211 0 50 CDAA CCc1cc(N)nc(SC[C@@H]2CCCCNC2=O)n1 952993766 JUQQYZXLXWABSA-VIFPVBQESA-N 280.397 1.630 0 50 CDAA O=C1CC[C@H](NCc2cnc(C3CC3)o2)C2(CCC2)N1 952994795 RJOJWVWPJWSPNR-LBPRGKRZSA-N 275.352 1.843 0 50 CDAA CN=c1[nH]c(Nc2cnn(CCF)c2)ncc1Cl 1875287103 VKHMKIBXBATANB-UHFFFAOYSA-N 270.699 1.503 0 50 CDAA O=C(CCc1cccnc1)N1CCCc2nn[nH]c21 1875258513 JBKOJXBTOMWQLF-UHFFFAOYSA-N 257.297 1.112 0 50 CDAA CC(C)n1ccnc1NC(=O)[C@@H]1CCC[C@H](N)C1 1875292940 XCNCINSHKXVANE-MNOVXSKESA-N 250.346 1.920 0 50 CDAA COCC[C@H](C)N[C@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 886066082 YJJWRDIEIYTVFZ-ZMLRMANQSA-N 296.333 1.943 0 50 CDAA NC(=O)CC1(NC(=O)c2cnc3n2CCC3)CCCCC1 891319789 UULMLODJXRUKLY-UHFFFAOYSA-N 290.367 1.137 0 50 CDAA Cc1ccccc1CN1CCN(CCOCCO)CC1 19369565 WAWOVPOJCXGIPA-UHFFFAOYSA-N 278.396 1.122 0 50 CDAA CC(C)c1nnc2n1CCN(c1ncnc3[nH]cnc13)[C@@H]2C 895913105 HALFYTASHRWBHM-SECBINFHSA-N 298.354 1.649 0 50 CDAA Cc1n[nH]cc1CNC(=O)N1CCC[C@@H](CC(=O)O)CC1 898812580 IRZXDFSSZYEDIH-LLVKDONJSA-N 294.355 1.505 0 50 CDAA C[C@H]1CC(n2nc(O)c3c(c2=O)CCCC3)C[C@H](C)O1 899359906 HRRAQEXEKDFCPK-UWVGGRQHSA-N 278.352 1.956 0 50 CDAA CCCCNC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 249808596 BBVHHJFTMLZPAY-AGIUHOORSA-N 282.384 1.620 0 50 CDAA Cc1ccc(C(=O)NC2CCC(C(=O)O)CC2)nn1 257645782 ASOPQDWLZKIARZ-UHFFFAOYSA-N 263.297 1.158 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1ccc(O)cc1 263523707 SHDMAEMGYROCMU-PWSUYJOCSA-N 277.320 1.646 0 50 CDAA CCCn1cnnc1CNC1CSCCSC1 67974143 AFQXWDUPGLKMAF-UHFFFAOYSA-N 272.443 1.626 0 50 CDAA C[C@H](O)[C@@H]1CN(C(=O)c2cc(O)ccc2Cl)CCO1 408467367 LCMQJEXYDGCWFN-UFBFGSQYSA-N 285.727 1.267 0 50 CDAA CC[C@]1(O)CCN(Cc2cnc(N(C)C)s2)C1 428437973 MRWGHCZELTZVRD-LBPRGKRZSA-N 255.387 1.556 0 50 CDAA CO[C@]1(C(=O)O)CCN(C(=O)c2sc(C)nc2C)C1 630248793 ILRNCTJFCQWEMX-GFCCVEGCSA-N 284.337 1.076 0 50 CDAA CCCOC[C@@H]1CCN(c2ncncc2C(=O)O)C1 95383765 VTBCPCYSVWFBKQ-SNVBAGLBSA-N 265.313 1.428 0 50 CDAA O=C(Nc1ccnn1C1CCC1)N1CCOCC1 934701726 AGXDCWQTVPZMEH-UHFFFAOYSA-N 250.302 1.472 0 50 CDAA O=C([C@H]1CCc2ncnn2C1)N1CCCc2ccccc2C1 2100557663 YNCPUTWOABPLHG-HNNXBMFYSA-N 296.374 1.816 0 50 CDAA O=C1C[C@@H]2CCN(c3ncnc4ccccc34)C[C@@H]2N1 2325764730 NFZQCFKWUZTTSE-GWCFXTLKSA-N 268.320 1.345 0 50 CDAA C[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@@H]2C(=O)NC[C@H]21 2325791291 LAPIULIDMIRLTC-LQJRIPTKSA-N 298.346 1.160 0 50 CDAA CN(C[C@@H]1CCc2ccccc21)c1nc(=N)nc2[nH][nH]cc1-2 2332239483 IEOVUOWZXUIQRS-NSHDSACASA-N 294.362 1.883 0 50 CDAA Cc1cc(C)n2c(SCc3nnco3)nnc2n1 952992678 RDKYMCVJAZUGSX-UHFFFAOYSA-N 262.298 1.416 0 50 CDAA COc1c2c(nc3ccccc13)O[C@@H]([C@](C)(O)CO)C2 35528 NETGEQWGGLFVRL-IUODEOHRSA-N 275.304 1.290 0 50 CDAA biogenic,in-vitro CNC(=O)c1cc2cc(OC)ccc2n1CCN(C)C 103098 XZIUKDLQCFKQSU-UHFFFAOYSA-N 275.352 1.571 0 50 CDAA CCOC(=O)N1N=C(CC)C[C@@]1(O)C(F)(F)F 280623 GKCWCLGDUMXZMK-MRVPVSSYSA-N 254.208 1.866 0 50 CDAA Cc1occc1C(=O)NCc1ccc(S(N)(=O)=O)cc1 474735 YVIYUDSQOQASSA-UHFFFAOYSA-N 294.332 1.165 0 50 CDAA O[C@H](COc1ccc2ccccc2c1)Cn1cncn1 614528 XBCOIAMDEOJXJA-AWEZNQCLSA-N 269.304 1.871 0 50 CDAA CCOC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(C)C 2836203 IVKPTRQLFOTCRF-CYBMUJFWSA-N 293.319 1.733 0 50 CDAA O=C(O)Cc1ccc(NC(=O)c2cnccn2)cc1 4777415 IXTIUOXYAHWKHR-UHFFFAOYSA-N 257.249 1.356 0 50 CDAA C=CN1CC[C@@H](C(=O)c2cc(OC)cc(OC)c2)C1=O 6658262 KXCPJWKWGXHLIL-ZDUSSCGKSA-N 275.304 1.879 0 50 CDAA O=C(O)Cc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 101716143 YXCSCYFTUQFQGM-GVARAGBVSA-N 299.326 1.849 0 50 CDAA CN(C)C(=O)OCCn1ccc2ccccc2c1=O 225584532 XROAVQXUFHLMAK-UHFFFAOYSA-N 260.293 1.700 0 50 CDAA O=C(CC1CC1)N1CCN(Cc2ccccc2CO)CC1 55405267 JIRJNFMRYOOVAW-UHFFFAOYSA-N 288.391 1.623 0 50 CDAA Cc1c([C@@H](C)NC(=O)c2csc(N)n2)cnn1C 55185776 UUIOSFUPLSNXCW-ZCFIWIBFSA-N 265.342 1.258 0 50 CDAA COc1ccc(-c2cc(=O)n3nc(C)nc3[nH]2)cc1OC 101487411 GODOUQHSQBSCMS-UHFFFAOYSA-N 286.291 1.410 0 50 CDAA COCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 20102902 WIPBKCDZCHDVRU-UHFFFAOYSA-N 290.407 1.970 0 50 CDAA C1C[C@H]2CC[C@@H](CN1)N2C1CSCCSC1 65493500 WBQMVARBQOJTJS-MNOVXSKESA-N 258.456 1.661 0 50 CDAA Cc1n[nH]c(=N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)o1 344119785 BAKRBXHPSAYTGN-OCCSQVGLSA-N 299.334 1.111 0 50 CDAA O=C(CN1CCc2[nH]ncc2C1)NCc1ccccc1F 67817396 RKDPSOIOSOWOHJ-UHFFFAOYSA-N 288.326 1.223 0 50 CDAA CCN(Cc1ccccc1)C(=O)CCN1CC(O)C1 65383896 UHQXQAJYSXMAPW-UHFFFAOYSA-N 262.353 1.102 0 50 CDAA Cc1ncsc1CCN(C)C(=O)[C@@H]1CCOC1 67446908 YQRASYCCZUJUKB-SNVBAGLBSA-N 254.355 1.489 0 50 CDAA COCc1nsc(N2CCC[C@H](c3nncn3C)C2)n1 329271957 HTHONQXKHUDIPO-VIFPVBQESA-N 294.384 1.197 0 50 CDAA CCOc1ncccc1C(=O)N1CCC[C@@H]1C(=O)OC 328591500 NHRVCOQLWNDELM-LLVKDONJSA-N 278.308 1.258 0 50 CDAA CCn1ncc2c1NC(=O)C[C@@H]2c1cnc(COC)nc1 65504279 KRVXNRPHODPLAK-SNVBAGLBSA-N 287.323 1.314 0 50 CDAA O=c1onc2n1-c1cc(Br)ccc1OC2 7253 MUDRLQRJCGJJTB-UHFFFAOYSA-N 269.054 1.480 0 50 CDAA biogenic,in-vitro CN1CCC(Cn2cnc3ccncc3c2=O)CC1 32582141 OETJLMHGBFIEKU-UHFFFAOYSA-N 258.325 1.133 0 50 CDAA C[C@H]1CN(CC(=O)N[C@H](C)c2ccccc2)CCO1 229711624 ABEMCQCAJUDTLC-QWHCGFSZSA-N 262.353 1.585 0 50 CDAA CSc1ncc(OCc2ccc(C(N)=O)cc2)cn1 253427290 DWWZBWCHUDUKPU-UHFFFAOYSA-N 275.333 1.876 0 50 CDAA Cc1cc(C(F)(F)F)nc(N2CCn3ncnc3C2)n1 329979824 KIKLGDUCDIMGQJ-UHFFFAOYSA-N 284.245 1.416 0 50 CDAA COc1cccc(OCCC(=O)N2C[C@H](F)C[C@@H]2CO)c1 451209854 DNDYWFONIVAYEZ-VXGBXAGGSA-N 297.326 1.395 0 50 CDAA COc1ccc([C@@H](NC(=O)[C@@H]2CCCOC2)C(=O)O)cc1 263125464 FKXPNZDPPMQKQT-DGCLKSJQSA-N 293.319 1.364 0 50 CDAA CCCn1ncnc1CN1C[C@@H](COC)OC(C)(C)C1 330522503 IWFIBNDWHMLICF-LBPRGKRZSA-N 282.388 1.314 0 50 CDAA CO[C@H]1C[C@@H](CN(C)Cc2nc(C(C)C)no2)N(C)C1 330535121 DJPXNBZCZYYMNT-RYUDHWBXSA-N 282.388 1.344 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)C2(C(=O)O)CC2)C1(CC)CC 154969526 OUHHHXVIESUBFQ-GHMZBOCLSA-N 283.368 1.951 0 50 CDAA O=C(CCCc1ccc(Cl)cc1)N1C[C@H](O)CO1 77353678 ONODKOGMXSCKMN-LBPRGKRZSA-N 269.728 1.797 0 50 CDAA CC(C)[C@H](N1CCOCC1)n1nnc2ccccc21 32600070 IGAJVRPHBHUXAP-CQSZACIVSA-N 260.341 1.918 0 50 CDAA COc1nccnc1CN1CCO[C@H](c2ccco2)C1 332306282 ITAOUEROARXPHW-ZDUSSCGKSA-N 275.308 1.652 0 50 CDAA c1ccc(-c2nc(CCNc3ncncn3)no2)cc1 219794532 VOCGXNBUPQDYFT-UHFFFAOYSA-N 268.280 1.576 0 50 CDAA Cc1ccccc1-n1cc(C(=O)N2CCC[C@H](N)C2)cn1 158282175 BFQCUODTRZXUOE-AWEZNQCLSA-N 284.363 1.744 0 50 CDAA NC(=O)c1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1 158284630 ABHFKALRDYINBG-LLVKDONJSA-N 284.319 1.183 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@H]1CCCOC1)c1ccc(F)cc1 262104631 JJABQMHUJFJMMW-AAEUAGOBSA-N 295.310 1.884 0 50 CDAA O=C(NC[C@H]1CCCCC1(F)F)N1CCn2ncnc2C1 334098066 UFYOTXKKWWNVAM-SNVBAGLBSA-N 299.325 1.629 0 50 CDAA CCCN(CC(=O)NC)c1nc(Cl)c(C(=O)O)s1 128987770 KUUCVBJXWYFSOJ-UHFFFAOYSA-N 291.760 1.457 0 50 CDAA C[C@H]1CCN(CC2CCSCC2)CC[S@@]1=O 602637833 ODMHPKDLGUOQKD-ZBEGNZNMSA-N 261.456 1.973 0 50 CDAA CNc1nc(C)cc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)n1 281038476 PWRIFPRSXCKGIU-NSHDSACASA-N 292.383 1.903 0 50 CDAA Cc1nn(-c2ncccn2)c(N)c1Br 43665024 HPXSJLKXKPKJQO-UHFFFAOYSA-N 254.091 1.315 0 50 CDAA C[C@@H]1C[C@H](NS(=O)(=O)CC[C@H]2CCCO2)CCO1 242196976 XGQOHPKXRRSKPS-IJLUTSLNSA-N 277.386 1.042 0 50 CDAA CN1CCO[C@@H](CN(CC2CC2)C(=O)C2=COCCC2)C1 328646864 SVGSPGWYIMZMGF-OAHLLOKOSA-N 294.395 1.250 0 50 CDAA CC(C)c1nnc(C(=O)N[C@@H](C)c2ncon2)s1 283524202 SPZSUOBMEXJGHH-LURJTMIESA-N 267.314 1.536 0 50 CDAA C[C@@H](NC(=O)C1(c2cccc(F)c2)CC1)c1nc[nH]n1 176207939 SGBBZIFLOYFMGL-SECBINFHSA-N 274.299 1.853 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2ncc(C)o2)C1 284485012 CGXVASDYVFMIEO-MNOVXSKESA-N 277.328 1.372 0 50 CDAA COCCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 220721032 OEYYZOBQRMPQKU-AWEZNQCLSA-N 273.336 1.777 0 50 CDAA Cc1nc(O)c(C(=O)N2CCc3nocc3C2)c(C)c1C 426424441 ZSVVJCSSUIZPKV-UHFFFAOYSA-N 287.319 1.899 0 50 CDAA Cc1cccnc1NCCNC(=O)[C@H](O)C1CCCCC1 221326248 XIWFUINYLBEXID-CQSZACIVSA-N 291.395 1.859 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C=C2CCC(C)CC2)C1 286025182 HOAGNEMIMDEAIS-OLPBLLBXSA-N 280.368 1.224 0 50 CDAA O=C(O)CNC(=O)CCn1ccc2c(Cl)cccc21 40312969 IQVQOWWETCDXIU-UHFFFAOYSA-N 280.711 1.886 0 50 CDAA biogenic Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)cc1 227287164 JKJVYUJSIZIZBR-KBUPBQIOSA-N 293.388 1.793 0 50 CDAA Cc1[nH]ccc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 332095273 AIYJCWBEOVPMKL-UHFFFAOYSA-N 299.378 1.722 0 50 CDAA CC(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 198107509 YADXXXMWCCGNFJ-NSHDSACASA-N 256.346 1.770 0 50 CDAA Cc1cccc2nc(C(=O)N(C)Cc3ncc[nH]3)c(F)n12 426419964 IXAFXVUJHCGWCX-UHFFFAOYSA-N 287.298 1.777 0 50 CDAA 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CN(Cc1cscn1)C(=O)c1c(Cl)cnn1C 584891603 WEJPEVURWOKPIN-UHFFFAOYSA-N 270.745 1.802 0 50 CDAA CC(C)N1CCN(C(=O)c2c[nH]c(=N)s2)C[C@H]1C 584900785 QNEGDRPRQSVJMZ-SECBINFHSA-N 268.386 1.110 0 50 CDAA Cc1ccc(-c2ccnc(N3CCCNC(=O)C3)n2)c(C)n1 670460733 YNPIHNIFIZIAJD-UHFFFAOYSA-N 297.362 1.482 0 50 CDAA CCOC1CCN(S(=O)(=O)c2ccsc2)CC1 585081660 CSNPGSXPNQCVQL-UHFFFAOYSA-N 275.395 1.938 0 50 CDAA Cc1nc[nH]c1C(=O)N1C[C@H](CC(=O)O)c2ccccc21 910366998 LXGPMIQACZFIAZ-JTQLQIEISA-N 285.303 1.937 0 50 CDAA C[C@@H](CNC(=O)CCc1cn[nH]c1)Oc1cccnc1 952873733 ZGUIUJPNHAAGDS-NSHDSACASA-N 274.324 1.321 0 50 CDAA Cc1cccc([C@H](C(=O)NCCn2ccnn2)N(C)C)c1 952990049 UIBMFCGPAAUKLK-CQSZACIVSA-N 287.367 1.006 0 50 CDAA O=C(NC1CC1)c1ccc(OC[C@@H]2CCCNC2)cc1 66323493 OLUZGBVUIVZMMK-GFCCVEGCSA-N 274.364 1.957 0 50 CDAA in-vitro CN(C)c1ccccc1C(=O)NC[C@@](C)(O)C(F)(F)F 408523108 GYSRUDZDMASMHJ-GFCCVEGCSA-N 290.285 1.796 0 50 CDAA O=C(NCCc1ccccc1)c1c[nH]nc1[C@@H]1CCOC1 275272950 JQCVLQIKLWVELS-CYBMUJFWSA-N 285.347 1.886 0 50 CDAA C[C@@H]1CN(CCCNC(=O)c2cccc(O)n2)C[C@@H](C)O1 278632857 NHDAFKSFAMYBNQ-VXGBXAGGSA-N 293.367 1.016 0 50 CDAA Cc1nnc(CN[C@H](CO)c2ccc(F)cc2F)s1 662165159 LUFCJHFLEPYBAD-LLVKDONJSA-N 285.319 1.948 0 50 CDAA CC[C@H](C(=O)O)N1CCCN(C(=O)c2cccs2)CC1 191419085 UWHHZQDHEHDSHG-LLVKDONJSA-N 296.392 1.759 0 50 CDAA CN(C)CCCS(=O)(=O)N[C@@H]1CCCc2ccccc21 583651411 KZPQCGVPMHFRIU-OAHLLOKOSA-N 296.436 1.935 0 50 CDAA O=C(N[C@H]1CC[C@@H](CO)CC1)c1cc(O)ccc1F 585086741 WSHGOBXTYKCUAJ-AOOOYVTPSA-N 267.300 1.812 0 50 CDAA Cc1cc(C)n(CC(=O)N(C)Cc2cccs2)c(=O)n1 585122988 NALCUEDHLJUHEI-UHFFFAOYSA-N 291.376 1.580 0 50 CDAA CCCCCOCC(=O)NCC[C@@H]1CCCN1C 585113808 RISBRHCQLYJXIL-ZDUSSCGKSA-N 256.390 1.794 0 50 CDAA CC(C)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)o1 577147817 AGYDOKKMBFEFEA-NSHDSACASA-N 275.356 1.996 0 50 CDAA COc1c(C)ncnc1N1CCC(N(C)C(C)=O)CC1 656112824 XRZSTIUPMIOXAL-UHFFFAOYSA-N 278.356 1.241 0 50 CDAA CC(C)n1ccnc1CN[C@@H]1CCNC(=O)CC1 692907875 XILIKKWPVZMGOM-NSHDSACASA-N 250.346 1.222 0 50 CDAA N[C@@]12CCC[C@@H]1CN(C(=O)c1nncc3ccccc13)C2 1614616061 TWJFIPBLVNZXIE-MLGOLLRUSA-N 282.347 1.583 0 50 CDAA N[C@@H]1C[C@H](C(=O)Nc2cnn(Cc3cccnc3)c2)[C@H]2C[C@H]21 1615616034 XAAZZXUOKWZREY-LJISPDSOSA-N 297.362 1.248 0 50 CDAA N[C@]12CCC[C@@H]1CN(C(=O)C1CC3(C1)CC3(F)F)C2 1615622431 SNQDCYVZDNBNPP-QYABHDJLSA-N 270.323 1.762 0 50 CDAA c1cn2c(n1)CC[C@H](NC1[C@H]3[C@H]4C[C@@H]5[C@H]3[C@@H]3C[C@H]5[C@@H]4[C@@H]13)C2 1616037037 FCGYJMGFOFYRCB-NUHJNNLRSA-N 281.403 1.934 0 50 CDAA Oc1cc([C@@H]2CCCN(CCCn3ccnc3)C2)ncn1 1506403607 UPGDYSMAXFUFMS-CYBMUJFWSA-N 287.367 1.648 0 50 CDAA Cc1n[nH]c(C)c1CNCCCc1csc(N)n1 1506426457 OUOSQOVVLHPLIP-UHFFFAOYSA-N 265.386 1.788 0 50 CDAA Cc1nc(=NC[C@H]2CCCN(Cc3ccco3)C2)n(C)[nH]1 1529124989 CUNSICRVHVRAOM-CYBMUJFWSA-N 289.383 1.463 0 50 CDAA CC(C)COc1cccc(C(=O)N2CC[C@@H](N)C2)c1 236694924 OQAZORAJNSMILJ-CYBMUJFWSA-N 262.353 1.895 0 50 CDAA NC[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 131721327 IERAQGDJNCAARE-SNVBAGLBSA-N 274.773 1.452 0 50 CDAA CN([C@@H]1C=CCCC1)[C@H]1CCC[C@@H]1S(C)(=O)=O 227336606 ITBGSKFSEXMHMF-AGIUHOORSA-N 257.399 1.993 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CCC[C@H](N)C1 157792427 FDFWAWSMUQKWLJ-JTQLQIEISA-N 266.316 1.788 0 50 CDAA COc1cc(OC)cc(C(=O)NCC2(N)CCC2)c1 230067166 PAJTZMQUAFGJSK-UHFFFAOYSA-N 264.325 1.315 0 50 CDAA O=C(c1nnc2n1CCCCC2)N1CCC[C@H]1C1(O)CC1 1772813535 GFDYNCJDFSAPDS-NSHDSACASA-N 290.367 1.134 0 50 CDAA Cc1cc(N2C[C@@H]3CCCN3C(=O)[C@H]2C)nc(N(C)C)n1 1772712023 KDOPMZKUIIJDIG-NEPJUHHUSA-N 289.383 1.051 0 50 CDAA Cc1cccc(C)c1NC(=O)N1C[C@H]2CNC[C@]2(CO)C1 1772702051 QHDSSKOELDLMFT-CZUORRHYSA-N 289.379 1.349 0 50 CDAA Cn1ccnc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772819161 PVBORFPFDOFTFN-UHFFFAOYSA-N 293.330 1.559 0 50 CDAA CC[C@@]12C[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1772812584 LFWOQHRSTUVCBL-YGRLFVJLSA-N 256.309 1.601 0 50 CDAA COc1cccc(NC(=S)NCCCN(C)C)c1 5549516 MWCMOAXYNKSUMM-UHFFFAOYSA-N 267.398 1.933 0 50 CDAA COc1cccc(C2=NO[C@H](C(=O)N3CCCC3)C2)c1 5029575 LYTNEVIVNJQALR-AWEZNQCLSA-N 274.320 1.811 0 50 CDAA C[C@@]1(NC(=O)Nc2ccccc2)CCS(=O)(=O)C1 5123732 AYHGJAMGGHONRP-GFCCVEGCSA-N 268.338 1.385 0 50 CDAA CC(C)NC(=O)c1ccccc1OC1CCNCC1 12359706 LGXIYGMRPDJNQR-UHFFFAOYSA-N 262.353 1.956 0 50 CDAA CC(C)N1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 15064846 JDOOZUBUINAGTK-AWEZNQCLSA-N 293.455 1.850 0 50 CDAA CC(=O)c1sc2nc(SCC(N)=O)[nH]c(=O)c2c1C 16399633 VMCSTBYMUVGQDZ-UHFFFAOYSA-N 297.361 1.073 0 50 CDAA CC(C)NC(=O)c1nnn(-c2cccc(Cl)c2)c1N 16647458 PAPQZGOJPMEVSU-UHFFFAOYSA-N 279.731 1.641 0 50 CDAA O=C(O)/C=C/C(=O)NCCc1cccc(Cl)c1 2774213 DBSNKWBSQKGDGB-SNAWJCMRSA-N 253.685 1.640 0 50 CDAA N[C@H]1CC[C@H](C(=O)NCc2ccc3ccccc3n2)C[C@@H]1O 1857738379 FLGHTIKSQYPNSK-NOLJZWGESA-N 299.374 1.339 0 50 CDAA C[C@H]1OCCN(Cc2nc(C(C)(C)C)no2)[C@@H]1C(=N)O 330553766 GJYVXNPXAJCVES-SCZZXKLOSA-N 282.344 1.492 0 50 CDAA CCN(C(=O)Cc1ccc(C(=O)O)cc1)[C@H]1CCCOC1 652120677 FHJZSHUJYJFPEQ-AWEZNQCLSA-N 291.347 1.955 0 50 CDAA CCN(C(=O)Cc1cccc(C(=O)O)c1)[C@@H]1CCCOC1 652120663 DYXAJEVTDXMPDN-CQSZACIVSA-N 291.347 1.955 0 50 CDAA COc1cccc(C[C@H](C)NC(=O)[C@H]2CSCN2)c1 360187282 GAXXVJPQJLKQGI-GXFFZTMASA-N 280.393 1.405 0 50 CDAA CC(C)(CNC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(Cl)cc1 152297848 AHGJQYRZQMTOJY-OLZOCXBDSA-N 296.798 1.457 0 50 CDAA O=C1C[C@@H](c2noc(C3=CCCNCC3)n2)CN1C1CC1 904614267 PDRRPMWUELYVEI-LLVKDONJSA-N 288.351 1.315 0 50 CDAA COc1ccccc1C[C@@H](C)N[C@@H]1CCCCNC1=O 8556440 PRMOMIGBCGVQBO-TZMCWYRMSA-N 276.380 1.885 0 50 CDAA CN1C[C@H](NC(=O)c2cc(=O)cc[nH]2)Cc2ccccc21 827344784 NJMWVIPEFZLFRO-GFCCVEGCSA-N 283.331 1.166 0 50 CDAA CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)O 1857782998 HXUVLUIRYJLVGI-UHFFFAOYSA-N 255.274 1.175 0 50 CDAA C=CC(=O)N(C)CC(=O)NC1(C)CCC(C)CC1 859009717 MWHDXNXSILJWBI-UHFFFAOYSA-N 252.358 1.716 0 50 CDAA CC[C@H]1CN(C(=O)NCc2ocnc2C)C[C@H](C)O1 864095258 AXWSJTHXJXINIH-ONGXEEELSA-N 267.329 1.692 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H](C)Cc1c(C)nn(C)c1C 1875273309 NXOGIDFCIHXSRO-VQCYPWCPSA-N 293.367 1.061 0 50 CDAA Cc1c[nH][nH]c1=NC(=O)Nc1cn(C)nc1C1CCC1 1875297146 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1.527 0 50 CDAA COc1ncccc1C(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 112816197 NXKDEUACJDAYRZ-QSFUFRPTSA-N 290.319 1.319 0 50 CDAA CCOC(=O)CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 26896702 XJQOTLQCHLIYFO-SNVBAGLBSA-N 285.340 1.766 0 50 CDAA CC(C)c1cc(C(=O)N[C@@H](CO)Cc2ccccc2)n[nH]1 179060898 FBVDINHMEAAJGI-CYBMUJFWSA-N 287.363 1.867 0 50 CDAA COc1nc(N2CCCCCC2)nc(-n2ccnc2)n1 22205662 OIQNRJIQZXMISN-UHFFFAOYSA-N 274.328 1.446 0 50 CDAA c1ccc2c(-n3cnnc3Cc3nnn[nH]3)cccc2c1 67490783 TWKXPXQEHFPIKM-UHFFFAOYSA-N 277.291 1.524 0 50 CDAA CCC[C@@H](C)N1CCN(CCC(=O)OC)C[C@H]1C 249214858 DPBHWENEIQLIHP-CHWSQXEVSA-N 256.390 1.744 0 50 CDAA CCn1cnnc1CN(C)Cc1ccc(O)c(C(=O)O)c1 67642388 GJBKJPYPTIGRIN-UHFFFAOYSA-N 290.323 1.334 0 50 CDAA CCCS(=O)(=O)Nc1cccc(C(=O)OC)c1 35154748 UJUQYXMQPAMDFU-UHFFFAOYSA-N 257.311 1.625 0 50 CDAA C[C@@H]1OCC[C@H]1NC(=O)NCCC[C@H]1CCCCO1 252486525 KTVNULCQCGENLX-YNEHKIRRSA-N 270.373 1.812 0 50 CDAA O=C(CCn1ccccc1=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 77439617 BUTIYNSEPUKRIV-IHRRRGAJSA-N 274.364 1.933 0 50 CDAA COc1ccccc1CNC[C@]1(OC)CCOC1 122936428 XMBKFXTYUAZGCQ-CQSZACIVSA-N 251.326 1.590 0 50 CDAA CCS(=O)(=O)C[C@H](C)N[C@@H]1CCOC(C)(C)C1 121111340 FOZGRJUCJMBOEJ-WDEREUQCSA-N 263.403 1.357 0 50 CDAA Cc1nc2ccc(CNC(=O)c3cn[nH]c3)cc2[nH]1 215258693 XSRANDFQJHFUTQ-UHFFFAOYSA-N 255.281 1.524 0 50 CDAA CCC[C@@H]1C[C@@H](C(=O)NCCN2CC=CCC2)CCO1 253431740 SZEJOWWYBCMIGM-LSDHHAIUSA-N 280.412 1.960 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@](O)(CO)C1 72130971 CYGBQYWAMUZISL-AWEZNQCLSA-N 298.408 1.534 0 50 CDAA Cc1ncc(CNS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)s1 253430247 QEORXGPMHDWJHJ-GZMMTYOYSA-N 290.410 1.438 0 50 CDAA CN1CCO[C@@H](CN(CC(=N)O)C(=O)C[C@H]2C=CCC2)C1 328639404 PLHKOBUOPDXTGU-QWHCGFSZSA-N 295.383 1.037 0 50 CDAA O=C(NC[C@@H](O)Cc1ccccc1)Nc1ccc(F)cn1 123219670 JIDWRFXRMWNSQO-ZDUSSCGKSA-N 289.310 1.946 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](N2CCCC2)C1 363597621 PQMABYAYRJCPJT-AWEZNQCLSA-N 290.411 1.656 0 50 CDAA CCN(c1cccnc1C)S(=O)(=O)c1ccnn1C 435631728 GZGJLSICMHRKMV-UHFFFAOYSA-N 280.353 1.339 0 50 CDAA CC(C)(C)n1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)cn1 334870340 VPPYOMPUTJQAAI-QWRGUYRKSA-N 269.320 1.183 0 50 CDAA O=C(O)c1ccc(C(=O)NN2CCCCC2=O)s1 238051094 XHECPXITEDQMMB-UHFFFAOYSA-N 268.294 1.104 0 50 CDAA CN([C@@H]1C[C@@H](Oc2ccccc2)C1(C)C)S(N)(=O)=O 376314484 BTUGLUURYRCBLY-VXGBXAGGSA-N 284.381 1.368 0 50 CDAA CC[C@H]1COCCN1C(=O)c1cc(-c2ccncc2)n[nH]1 77453210 SETKKFJHSKFYPB-LBPRGKRZSA-N 286.335 1.723 0 50 CDAA COC[C@H]1CCCCN1Cc1c(C)nn(CCO)c1C 216057581 HPCJCDVLMODZRF-CQSZACIVSA-N 281.400 1.493 0 50 CDAA Oc1n[nH]c([C@@H]2CCCN(CCOCC(F)(F)F)C2)n1 377485071 OOWZOBZABKUWON-MRVPVSSYSA-N 294.277 1.269 0 50 CDAA C[C@@H]1CN(C(=O)NCc2nc(C3CC3)n[nH]2)CCC1(F)F 334091563 ODSFUOVJTOZACQ-MRVPVSSYSA-N 299.325 1.869 0 50 CDAA O=C([C@@H]1CCCN1)N1CCO[C@@H](c2ccccc2Cl)C1 237654561 KCEUNLKJINKETI-UONOGXRCSA-N 294.782 1.992 0 50 CDAA COc1cc(CN2[C@@H](C)CC(O)C[C@@H]2C)sn1 521396514 ODRAUKOXYGCVIC-IUCAKERBSA-N 256.371 1.885 0 50 CDAA C[C@@H]1COCCN1C(=O)Nc1ccc(OC(F)F)nc1 283179742 PZAFHEJGOWYCNM-MRVPVSSYSA-N 287.266 1.936 0 50 CDAA Cc1ccc(N2CCCN(c3nc(C)cnc3C)CC2)nn1 241930384 UIBPTKYOSCDZIT-UHFFFAOYSA-N 298.394 1.909 0 50 CDAA COC1CCC(N[C@H]2CCO[C@@H]2c2ccnn2C)CC1 339008943 DCHPXFUAGFHCOZ-DVTFPSANSA-N 279.384 1.797 0 50 CDAA O[C@@]1(c2c[nH]nn2)CCN(c2cccc(C(F)(F)F)n2)C1 284518334 LSLYLUGBXZRTLW-NSHDSACASA-N 299.256 1.316 0 50 CDAA CCCOc1cccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1 284684016 VWZIRHVKEDYDJK-BXUZGUMPSA-N 290.363 1.669 0 50 CDAA Cc1cnc2c(C)cccc2c1N1CCC[C@@](O)(C(N)=O)C1 284710242 UATXZXXZJUUDKD-KRWDZBQOSA-N 299.374 1.668 0 50 CDAA CC[C@@](NC(=O)c1cccc(C(=O)O)c1)(C(N)=O)C(C)C 263436302 ORDNBYUCPOXIKE-HNNXBMFYSA-N 292.335 1.405 0 50 CDAA CCCc1cc(C(=O)NCCN2CCC[C@@H](CO)C2)no1 82114804 SJCAQZBUIXHVFF-GFCCVEGCSA-N 295.383 1.061 0 50 CDAA O=C(NCCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 137755834 QNMKUAYWBNBHJI-SYQHCUMBSA-N 289.331 1.224 0 50 CDAA O=C(NC[C@H]1CCCN(c2ccccn2)C1)c1cnc[nH]1 223732163 LPKMBLOWJRIPNS-GFCCVEGCSA-N 285.351 1.451 0 50 CDAA O=C(c1ccncc1)N1CCC[C@@H]1Cn1ccnc1 177764913 ZZSSTXRNINGHOJ-CYBMUJFWSA-N 256.309 1.583 0 50 CDAA COCc1nc([C@H]2CCOC2)cc(N2CCSCC2)n1 426526890 OVMPQDXMTOJYEY-NSHDSACASA-N 295.408 1.680 0 50 CDAA CN1CCCN(CC2(C)CCOCC2)CC12CCNCC2 426693659 FGCFCNSXHQARGH-UHFFFAOYSA-N 295.471 1.563 0 50 CDAA O=C1N(C2CCCC2)CCC[C@]12CCN(CCCO)C2 91649685 POJHEXKAIMKVTR-MRXNPFEDSA-N 280.412 1.626 0 50 CDAA Cc1cccc(C)c1OC1CN(C(=O)c2ccc(=O)[nH]c2)C1 95372336 HTPAWRKFOAYLRO-UHFFFAOYSA-N 298.342 1.895 0 50 CDAA O=C1CCCCCN1CCc1nc(-c2cccnn2)no1 91626319 XCLVGKUPXZTKME-UHFFFAOYSA-N 287.323 1.472 0 50 CDAA Cn1c(CN2CCC[C@@](O)(CO)CC2)cc2ccccc21 97505441 VRVDPTFCPXCLFC-KRWDZBQOSA-N 288.391 1.888 0 50 CDAA O=C([C@@H]1CC12CCNCC2)N1CCN(c2ccccc2)CC1 237932762 FHJABIYTSFOHBN-INIZCTEOSA-N 299.418 1.725 0 50 CDAA O=C(C1CCN(C[C@@H]2CCCOC2)CC1)N1CCCC1 336386444 RXZUZAQKQREBSF-AWEZNQCLSA-N 280.412 1.747 0 50 CDAA CC[C@H](C(=O)N(C)C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 238899362 FZMBOAIMGJTZDR-KIJLLGNVSA-N 290.363 1.050 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)[C@H]1COc2ccccc2C1 95506630 STUNXXPMFPAJNG-CYBMUJFWSA-N 285.347 1.928 0 50 CDAA C[C@H]1CCCN(C(=O)COCc2ccccc2)[C@H]1CN 179224018 UHCUIRKGARCZSB-ZFWWWQNUSA-N 276.380 1.789 0 50 CDAA Cc1ccc(C)c(OC2CCN(C(=O)CN)CC2)c1 237647339 NTCCUWMPGVVTIZ-UHFFFAOYSA-N 262.353 1.632 0 50 CDAA CC(C)n1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cn1 91997547 WZCRSTTWTOHZNP-OLZOCXBDSA-N 262.357 1.273 0 50 CDAA CC[C@@H](C(=O)NCCc1cccnc1)n1cccn1 91270165 OCYRFFXMNMPGLW-ZDUSSCGKSA-N 258.325 1.588 0 50 CDAA O=C(CCCn1ccnc1)NCCn1cc(Cl)cn1 244758178 OTQNCRATKZXFKG-UHFFFAOYSA-N 281.747 1.330 0 50 CDAA CC[C@H](CSC)NC(=O)N1C[C@H](C)O[C@H](C)C1 180871454 VRUCDFZQGPAGGV-OUAUKWLOSA-N 260.403 1.947 0 50 CDAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)CC(C)C)c1O 253623735 JDFMHTCOPWIDQB-MRVPVSSYSA-N 296.323 1.285 0 50 CDAA biogenic N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(O)cc1F)C2 534633011 ZYNJLLKFGLUBDQ-WOFXILAISA-N 264.300 1.341 0 50 CDAA CCCn1ccnc1CNC(=O)C[C@H]1CC1(F)F 534588279 PYVKGRRKBCXJRE-VIFPVBQESA-N 257.284 1.955 0 50 CDAA CCN(C)C1(CNC(=O)c2c[nH]c(=N)s2)CCCC1 534646447 MXWUNMDLFSJQCF-UHFFFAOYSA-N 282.413 1.550 0 50 CDAA Cc1cc(C)c2c(c1)C(=O)N(CCN(C)C)CC(=O)N2 534590862 FOYHSXVPDBDDMY-UHFFFAOYSA-N 275.352 1.259 0 50 CDAA CCN1CCN(CC(=O)N[C@H]2CCc3ccccc32)CC1 360184766 UWHQONJUSOHWJA-INIZCTEOSA-N 287.407 1.428 0 50 CDAA Cc1c[nH]c(C(=O)N[C@H](C)c2nnc(C(C)C)o2)n1 299800609 UGGRABCCXSUOBM-MRVPVSSYSA-N 263.301 1.716 0 50 CDAA CC(C)(C)OC(=O)N1CCc2nc(CO)ccc2C1 396155016 FMYRXYXLWYKNCF-UHFFFAOYSA-N 264.325 1.867 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)CN1CCCCCCC1 584896896 DUSGIXCFAGSXLU-UHFFFAOYSA-N 278.400 1.943 0 50 CDAA COc1c[nH]c(CN2CCCC[C@@]2(C)C(=O)O)cc1=O 584901433 AZUNNFAAZJRHFC-AWEZNQCLSA-N 280.324 1.213 0 50 CDAA CN(C[C@@H]1CCN(C)C1(C)C)C(=O)c1cncnc1 584888562 IMCREIQKAJTTEU-LBPRGKRZSA-N 262.357 1.279 0 50 CDAA CCCCn1nc(CC(N)=O)nc1-c1cccnc1C 822888885 QSTXETIKSDDRFS-UHFFFAOYSA-N 273.340 1.476 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1n1cnc2cnccc2c1=O 670468619 OIEUPFKYSMJGMV-KBPBESRZSA-N 288.351 1.072 0 50 CDAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccoc1Cl 685942009 LCCMAZQFCDEWPR-VHSXEESVSA-N 297.698 1.232 0 50 CDAA Cc1ccc(CNCCN2CCCC[C@@H]2CO)o1 952963432 JZEVYCDYUOXKMV-CYBMUJFWSA-N 252.358 1.524 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1cccc2c1NCCC2 1565507324 AXGJQHNQARTJQX-JSGCOSHPSA-N 299.374 1.595 0 50 CDAA Cc1nsc(NC(=O)[C@H]2CCc3[nH]ncc3C2)n1 270450169 RXIOBXVIOGPLPR-ZETCQYMHSA-N 263.326 1.313 0 50 CDAA Cc1c[nH]nc1C(=O)N1CCO[C@@H](C(C)(C)C)C1 408515781 HZSKOBSXVPVCIY-SNVBAGLBSA-N 251.330 1.605 0 50 CDAA Cc1nsc(N2CCSC[C@@H]2c2cnn(C)c2)n1 408523411 JVWANEJPPSHWMW-SNVBAGLBSA-N 281.410 1.875 0 50 CDAA C[C@@H](NCCCn1cc(CO)nn1)[C@@H]1CC2CCC1CC2 630060998 VINKOJZQGWYMFN-WOICTCIZSA-N 292.427 1.965 0 50 CDAA CS(=O)(=O)C1(C(=O)Nc2ccc(CN)cc2)CCCC1 275206422 ZGRXIIDFMMIMBA-UHFFFAOYSA-N 296.392 1.441 0 50 CDAA C[C@@H]1C[C@H](O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1 170089345 DFFZAELOEFCIIA-MFKMUULPSA-N 289.310 1.607 0 50 CDAA Cn1cc(OCCOCC(F)(F)C(F)F)cn1 170617984 YTXSKDKKCHRMCA-UHFFFAOYSA-N 256.199 1.716 0 50 CDAA Cc1ncc(CC(=O)NCc2ccccc2CO)o1 639567537 SOVTXKPVRKBKNU-UHFFFAOYSA-N 260.293 1.334 0 50 CDAA COc1cnc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)nc1 556940338 VFWHWPUEKRIXAI-NEPJUHHUSA-N 290.367 1.184 0 50 CDAA O=C(N[C@@H]1CCCOc2ccccc21)C1CS(=O)(=O)C1 585089460 OMUXPNHJXYHRAC-GFCCVEGCSA-N 295.360 1.061 0 50 CDAA O=C(Cc1ccc(Cl)cc1)NC[C@@H]1CCC(=O)O1 585131246 PRQLQPYIOPUUGH-NSHDSACASA-N 267.712 1.704 0 50 CDAA O=C(NCCc1ccccn1)[C@H]1CC[C@@H]2CCCCN21 585122387 ZCCFDUNEFGKILK-LSDHHAIUSA-N 273.380 1.757 0 50 CDAA CCS[C@H]1CCCCN(C(=O)[C@H]2CNC(=O)N2C)C1 585132370 UZGAVHVVNBRIAA-WDEREUQCSA-N 285.413 1.144 0 50 CDAA CC1(C)[C@H]2CC[C@](C)(C2)CN1C(=O)[C@H]1CCS(=O)(=O)C1 585128583 GUVCDXDELDKTMH-SLEUVZQESA-N 299.436 1.848 0 50 CDAA C/C=C/C[C@H](CO)NC1CCN([C@@H]2CCOC2)CC1 655757670 WRSPHRZEUDJINT-SWVJOTTGSA-N 268.401 1.156 0 50 CDAA Nc1ccn2ncc(C(=O)N[C@H]3COC[C@H]3C3CC3)c2c1 1615553489 HGHCTBQRIIJYBM-STQMWFEESA-N 286.335 1.071 0 50 CDAA O=C(NCCOC[C@H]1CCOC1)c1cccc2ccnn12 1615587045 ULDXDOBMLNJGSA-LBPRGKRZSA-N 289.335 1.117 0 50 CDAA O[C@H]1CN(C2CCC3(CCNCC3)CC2)C[C@@H]1F 1616102153 HGUYWWFDGOKKSH-STQMWFEESA-N 256.365 1.313 0 50 CDAA Cc1nnc(CN(C)Cc2ccccc2C(=O)O)o1 215312497 VVBVUCVYYBWDLM-UHFFFAOYSA-N 261.281 1.708 0 50 CDAA Cn1ncc2c(O)nc(C=Cc3cccnc3)nc21 1857528158 MPQKIYDNIKVBDW-UHFFFAOYSA-N 253.265 1.634 0 50 CDAA CC[C@@H]1CN(CCn2cnnc2C)CCN1C(C)C 1506398899 ZJTXINQWRKRCCW-CQSZACIVSA-N 265.405 1.391 0 50 CDAA COc1cccc([C@H]2CCN2C(=O)c2nonc2C)c1 1857702898 SWCXFOPEPDULBX-GFCCVEGCSA-N 273.292 1.974 0 50 CDAA Cn1nc2c(c1-c1ccccc1)CCN(CCO)CC2 1857709902 XIFKZEUUTJIRCA-UHFFFAOYSA-N 271.364 1.480 0 50 CDAA CN1CCN(C(=O)c2nccn2C)[C@@H](c2ccccc2)C1 1506414174 WONPNVMRIQNUAA-CQSZACIVSA-N 284.363 1.549 0 50 CDAA COC(=O)c1cccnc1-c1ncccc1C(=O)OC 189135 SQQPYWUOEFGOCD-UHFFFAOYSA-N 272.260 1.717 0 50 CDAA in-vitro COC(=O)[C@@H]1C[C@H](O)CCN1Cc1cccc(Cl)c1 210279763 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BSQOBDOISMSIDT-ZDUSSCGKSA-N 259.309 1.662 0 50 CDAA biogenic CCn1nc(C)cc1C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 225470382 NXXFGMLZQHPCAQ-NEPJUHHUSA-N 290.367 1.095 0 50 CDAA CCc1n[nH]c(=O)c(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1CC 225468458 DPHMNBUSLUHFQD-PHIMTYICSA-N 289.379 1.623 0 50 CDAA CSC[C@@H](C)N(C)C(=O)Cc1c(C)n[nH]c1C 225404551 WWHMOZHXXAQZBO-MRVPVSSYSA-N 255.387 1.779 0 50 CDAA CC(C)Oc1cc(N2C[C@H](C)O[C@H](C)C2)nc(N)n1 65451566 GMUJJTJHAHWTGY-AOOOYVTPSA-N 266.345 1.460 0 50 CDAA CCNC(=O)[C@H](C)NC1CCC2(CCNCC2)CC1 67789957 RLUMGKPSPSIBSU-LBPRGKRZSA-N 267.417 1.413 0 50 CDAA Cc1cc(C(=O)NCCc2nc(C)c3c(n2)CCC3)no1 20600158 SVEKSEOQVIEIHG-UHFFFAOYSA-N 286.335 1.543 0 50 CDAA CSCC[C@@H](O)C(=O)NCCCc1scnc1C 215926789 PTCIGTCLJSPXOK-SNVBAGLBSA-N 288.438 1.614 0 50 CDAA CCOC(=O)C1=C(O)c2ccccc2S1(=O)=O 39295386 BLAORYPTPKPTRZ-UHFFFAOYSA-N 254.263 1.264 0 50 CDAA O=C(Cc1cncnc1)OCCCOC1CCCC1 253425373 SVSGRHLXMUDAAE-UHFFFAOYSA-N 264.325 1.912 0 50 CDAA CCc1ccc(CN2CCN(CCCN(C)C)CC2)nc1 216099504 HRJQJOUPSLRFGV-UHFFFAOYSA-N 290.455 1.713 0 50 CDAA CC[C@H]1COCCN1C(=O)c1ccnc(Cl)c1 36326399 AQMPFRNAEOXZIA-JTQLQIEISA-N 254.717 1.986 0 50 CDAA CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@](C)(O)C1 124700799 NAWRJCVZBHHYKP-SMDDNHRTSA-N 256.390 1.527 0 50 CDAA CCc1nsc(N2CC(O)(c3ccc(F)cc3)C2)n1 239667621 BQVXNUNMYMRJBJ-UHFFFAOYSA-N 279.340 1.947 0 50 CDAA O=C(CN1CCCC1)N1CCCC[C@H]1CCn1ccnc1 77456196 GTWQSTIVQCENSY-HNNXBMFYSA-N 290.411 1.750 0 50 CDAA Cc1c[nH]c(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)c1 72166999 WFEMXGBIWXJBAZ-AWEZNQCLSA-N 277.324 1.428 0 50 CDAA Cc1noc(-c2cccnc2N2CC[C@@H](n3cncn3)C2)n1 375317546 HTWIOUNIEKOTDS-LLVKDONJSA-N 297.322 1.483 0 50 CDAA Cc1cc([C@H]2CCCN2C(=O)C(=O)c2cccnc2)on1 219225212 IHPPVDHLCLLRQU-GFCCVEGCSA-N 285.303 1.924 0 50 CDAA Cc1cc(C(=O)N2CCC[C@](O)(CO)CC2)ccc1O 72167302 VJPXIDUDYZMPBK-OAHLLOKOSA-N 279.336 1.050 0 50 CDAA CC(C)(O)[C@H]1CCN(C(=O)CCc2cccnc2)C1 215135700 GFGWREPVNNXRDI-ZDUSSCGKSA-N 262.353 1.634 0 50 CDAA Cn1c(-c2ncccn2)nnc1N1CC[C@@H](C2CC2)C1 333152944 FLPAXPDLMCPBRX-LLVKDONJSA-N 270.340 1.508 0 50 CDAA CC(C)[C@H](NC1CCOCC1)C(=O)NC1C[C@H]2C[C@@H]2C1 333534380 YSIPAQDFNUDWSH-JMSVASOKSA-N 280.412 1.694 0 50 CDAA CC1(C)CNCC[C@H]1NS(=O)(=O)CCC1CCCC1 333880258 UGJLOFBVCJFGTJ-CYBMUJFWSA-N 288.457 1.874 0 50 CDAA Cn1nccc1C1CCN(C(=O)C2(CN)CCCC2)CC1 237676723 LVVFTDWLDDKZMU-UHFFFAOYSA-N 290.411 1.645 0 50 CDAA CCC1=C(C(=O)N2CC[C@@H](CC(N)=O)C2)CCCO1 377147429 XHVWWYGBXFLASW-JTQLQIEISA-N 266.341 1.185 0 50 CDAA CC(C)(O)CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 334311357 RDILNSTUAFXOPM-ZWNOBZJWSA-N 299.317 1.760 0 50 CDAA O=C(NCCC[C@@H]1CCOC1)c1c[nH]c(=O)c(Cl)c1 219652949 LYHAAWBUTPFGEK-SECBINFHSA-N 284.743 1.575 0 50 CDAA CCOc1ccccc1NC(=O)NC[C@H]1CNCCOC1 72134682 NEZQPEBYTUQFEH-GFCCVEGCSA-N 293.367 1.443 0 50 CDAA c1cncc([C@H](NCCCN2CCCC2)c2nc[nH]n2)c1 340178863 BCYRHHUDWDGTLX-AWEZNQCLSA-N 286.383 1.365 0 50 CDAA COc1ccc2oc(CN3C[C@H](F)C[C@H]3C(N)=O)cc2c1 284560740 HEEXTWLXQBCKAU-MFKMUULPSA-N 292.310 1.839 0 50 CDAA Nc1nc(NCc2cccnc2)cc(C2CC(N)C2)n1 220559314 ZWNBFMNORSMUFR-UHFFFAOYSA-N 270.340 1.271 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccncc2F)N(C)C1 285269219 PRAMMYJCZKEWBA-QWRGUYRKSA-N 281.331 1.012 0 50 CDAA COC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 226088352 CIJLQDGRLSIXSD-NSHDSACASA-N 285.365 1.631 0 50 CDAA COc1ccccc1CNC(=O)NCC[C@@H]1CCCN1 426515455 BJUBNIHCDVOCFB-ZDUSSCGKSA-N 277.368 1.637 0 50 CDAA c1cc(-c2noc(-c3cnn(C4CC4)c3)n2)ncn1 528186331 GJJOPYLZJVBGJW-UHFFFAOYSA-N 254.253 1.725 0 50 CDAA CC(C)c1nccc(CN2C[C@@H]3CC[C@H]2CNC3)n1 426477360 JEPDVBVJGMTGCV-OCCSQVGLSA-N 260.385 1.784 0 50 CDAA CN1CCN(C(=O)c2cncc(-c3ccccc3)n2)CC1 426489560 BJKFIKLBOHDKGN-UHFFFAOYSA-N 282.347 1.531 0 50 CDAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1ncc[nH]1)C2 91713680 JIEDRWPDXBOILO-UONOGXRCSA-N 288.395 1.799 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)NCCc2nccs2)CC1=O 91690088 BJJBMMSTVYPNOC-SNVBAGLBSA-N 295.408 1.449 0 50 CDAA CN1CC2(CCC1=O)CCN([C@H]1CCCNC1)CC2 91625665 ASHTVYCJWDJGHG-ZDUSSCGKSA-N 265.401 1.073 0 50 CDAA O=C(c1cncn1-c1ccccc1)N1CC[C@H]2CNC[C@H]2C1 290319698 GQJJBTJLIVAWEH-KBPBESRZSA-N 296.374 1.554 0 50 CDAA CCCc1cc(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)[nH]n1 91665551 WMKKYQDBLCLVJR-SECBINFHSA-N 275.356 1.755 0 50 CDAA CNCC(=O)N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 237197479 PKDZGVWNVDQEIN-KBPBESRZSA-N 267.417 1.319 0 50 CDAA COCC[C@@]1(CO)CCCN(C(=O)NC(C)C)C1 91943939 HIPHQZNSYCGABV-ZDUSSCGKSA-N 258.362 1.215 0 50 CDAA CCc1cc(C(=O)NC[C@H](O)COC2CCCCC2)[nH]n1 96163918 OUSKRLQZTYARKM-LBPRGKRZSA-N 295.383 1.412 0 50 CDAA CCCN(CCO)C(=O)[C@@H](c1ccccc1C)N(C)C 95379002 ZJLIHJAMBFTELO-OAHLLOKOSA-N 278.396 1.829 0 50 CDAA COc1ccc(-c2c(C)nn(CCC(N)=O)c2C)cn1 96141760 FVYWNKNYVRGNPJ-UHFFFAOYSA-N 274.324 1.446 0 50 CDAA OCCN1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95529735 SUHHDRQTPXLAGF-HNNXBMFYSA-N 290.407 1.238 0 50 CDAA Cc1ncsc1CCC(=O)N1CCC[C@H]1C(=O)O 95387079 GJSKKDCKKDRZOZ-VIFPVBQESA-N 268.338 1.460 0 50 CDAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1C[C@H]1C)CC2 246977961 HBFJERGIZYRRCJ-MROQNXINSA-N 267.369 1.421 0 50 CDAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1Cc1ccccc1)[C@H]42)[C@H]3O 244811361 SBMJODKIBJOTSH-USZWEYKBSA-N 299.370 1.777 0 50 CDAA NC(=O)CCC1CCN(C[C@H]2CCCOC2)CC1 347938759 AEPFNQSRQSRTIP-CYBMUJFWSA-N 254.374 1.391 0 50 CDAA CCc1ccc2c(c1)C(=O)N(CCN(C)C)CC(=O)N2 534659720 QALCEARUOKJNIP-UHFFFAOYSA-N 275.352 1.205 0 50 CDAA CC[C@@H](NS(=O)(=O)N1CCCC1)c1cc(C)ccn1 534589008 OWTGCXFASFSWRB-GFCCVEGCSA-N 283.397 1.771 0 50 CDAA Cc1nccn1-c1ccc(CNC(=O)c2ccnn2C)cc1 825285728 AUTAQGWPQISCHN-UHFFFAOYSA-N 295.346 1.844 0 50 CDAA CO[C@@H]1CCN(C(=O)c2nn3cc(C)cnc3c2Cl)C1 584901347 BHCLZNWSXPTNSN-SECBINFHSA-N 294.742 1.552 0 50 CDAA O=C(NCc1ccc2c(c1)CCCC2)NCc1nn[nH]n1 584898094 VNRWPJSWZKBGIO-UHFFFAOYSA-N 286.339 1.078 0 50 CDAA CCOCC(=O)NCC1(N2CCCC2)CCCC1 584890226 AEOURRBEBHVZSX-UHFFFAOYSA-N 254.374 1.548 0 50 CDAA COc1nc(N2[C@H]3CC[C@@H]2C[C@H](OC)C3)ncc1F 670449798 QDTVIAVOBHIHRG-MYJAWHEDSA-N 267.304 1.771 0 50 CDAA CCc1ocnc1C(=O)NCCc1nc(C)cc(O)n1 584891257 GOONNTQDFAKVSD-UHFFFAOYSA-N 276.296 1.014 0 50 CDAA Cc1cc(C)nc(CN(C)CC(=O)Nc2cnccn2)c1 670449752 NFRXGAOOIWPZRJ-UHFFFAOYSA-N 285.351 1.559 0 50 CDAA O=C1CC[C@H](N2CCc3nocc3C2)CCN1CC1CC1 670440216 KHFPKXGMLZSGPL-AWEZNQCLSA-N 289.379 1.824 0 50 CDAA Cc1nc([C@@H]2OCC[C@@H]2NC(=O)c2[nH]ccc2C)n[nH]1 685941220 APGCKAVQMZJZMP-GXSJLCMTSA-N 275.312 1.010 0 50 CDAA CCCn1cc(CN[C@@H]2CCc3n[nH]cc3C2)c(C)n1 1413144312 MZXQATKLDKFJJU-CQSZACIVSA-N 273.384 1.972 0 50 CDAA O=C1CN(C(=O)CC(F)(F)F)[C@H]2CCCC[C@H]2N1 132160748 JOGKHFDUVALOBK-SFYZADRCSA-N 264.247 1.208 0 50 CDAA Cc1ccccc1CSCC(=O)N1C[C@@H](O)[C@H](F)C1 952975802 XIRQUFWRXRBQDO-CHWSQXEVSA-N 283.368 1.769 0 50 CDAA Cc1cc(=O)c([C@@H](CC(=O)O)c2cccnc2)c(O)n1C 888090600 KMPZUGJUYVGHLS-NSHDSACASA-N 288.303 1.401 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)CC[C@@H](C)N1CCOCC1 952982752 MNODBRGROFIAPB-GFCCVEGCSA-N 294.399 1.177 0 50 CDAA C[C@H]1C[C@H](C[C@H](N)C2(O)CCNCC2)C[C@@H](C)O1 958528000 LOZNDGXDZWMNDC-RNJOBUHISA-N 256.390 1.022 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1C[C@H](C)[C@@](O)(C2CCC2)C1 1565513368 CEBNLALAQWCMLF-MGPLVRAMSA-N 291.395 1.660 0 50 CDAA CCCn1cc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)c(C)n1 1565526952 UYANAFJHZXWPSG-AAEUAGOBSA-N 290.367 1.151 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)O)O2)C1 91303918 ZNSDOJYTRJPKOY-QMMMGPOBSA-N 257.286 1.240 0 50 CDAA in-vitro Cc1nc(N[C@@H]2CCNC[C@H]2O)c2sccc2n1 91468235 ZRDGAYCVVPPWEL-PSASIEDQSA-N 264.354 1.134 0 50 CDAA CC(C)(C)OC(=O)N1CC(=O)Nc2ccc(N)cc2C1 91690648 BGZBMPGQAKCTPO-UHFFFAOYSA-N 277.324 1.958 0 50 CDAA in-vitro CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1 268944207 VBVQFGLXAYOVKD-NWDGAFQWSA-N 281.308 1.670 0 50 CDAA C[C@@H]1[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(F)F 408046783 XZGLQZSBDWKDFO-KATARQTJSA-N 285.294 1.268 0 50 CDAA Cc1nc(C(=O)N(CC(C)C)C2CCN(C)CC2)c[nH]1 270056283 GNYDUQKGRJENEU-UHFFFAOYSA-N 278.400 1.911 0 50 CDAA C=CC(=O)NCCNC(=O)c1cccc([C@H]2CCOC2)c1 270466606 BJQQRAYJCGOWNC-AWEZNQCLSA-N 288.347 1.223 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](CO)C[C@@H](C)C2)ns1 630030585 BLWNXXODUJRFKH-SCZZXKLOSA-N 254.355 1.542 0 50 CDAA CC(=O)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1 169980067 STIZYUOQNCXNEC-UHFFFAOYSA-N 264.130 1.143 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2cccnc2)cnn1C 275331676 GAIHEZNLECIFSA-JSGCOSHPSA-N 286.335 1.840 0 50 CDAA CS[C@@H](C)CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275718631 SWOGJVNOXITYBY-DCAQKATOSA-N 298.412 1.301 0 50 CDAA CO[C@@H](C(=O)N1Cc2cncnc2C1)c1ccccc1 515500509 SJLNFJXWACMARI-CQSZACIVSA-N 269.304 1.707 0 50 CDAA CCOC(=O)C[C@H](C)Sc1cnn(C)c(=O)c1Cl 170627343 QWGJHIYGKFEXTJ-ZETCQYMHSA-N 290.772 1.868 0 50 CDAA CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 190741911 LRXDBUOFMLGBGX-GJZGRUSLSA-N 288.391 1.754 0 50 CDAA CCN1CCCN(c2nccn3cnnc23)[C@@H](C)C1 664008293 ZWBBUAVPMRGORQ-NSHDSACASA-N 260.345 1.045 0 50 CDAA CC(C)COCCN[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 643960093 NGPRMFVMBHJPPP-ZNMIVQPWSA-N 270.417 1.236 0 50 CDAA Cc1sc2ncn(Cc3ncccn3)c(=O)c2c1C 191389097 DHYHEQBJSCSOCM-UHFFFAOYSA-N 272.333 1.913 0 50 CDAA COC[C@H]1CCN1C(=O)Nc1cnc2c(c1)c(C)nn2C 644985659 VXIIVMUHAPXJEZ-LLVKDONJSA-N 289.339 1.529 0 50 CDAA Cn1cnc(-c2nc(C3(c4ccncc4)CCC3)no2)n1 656035421 HPBDJSMAZSSEME-UHFFFAOYSA-N 282.307 1.730 0 50 CDAA CO[C@H](C(=O)NCc1cccc(C(=O)O)c1)[C@@H]1CCOC1 656474979 LORVLRDUZQUHHA-OLZOCXBDSA-N 293.319 1.053 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)O[C@@H]2CN 675052673 HRIHVZSJVKHMIU-SNVBAGLBSA-N 284.356 1.278 0 50 CDAA CN(C)c1cccc(S(=O)(=O)N2C[C@@H]3[C@@H](CF)[C@@H]3C2)c1 1614994223 TYKREEHZJCZFNF-ZSOGYDGISA-N 298.383 1.589 0 50 CDAA CON(C)C(=O)CCN1C[C@@H]2CC[C@@H](N(C)C)C[C@H]2C1 1615571921 QFJSFQRTWCIRQR-MELADBBJSA-N 283.416 1.058 0 50 CDAA Cn1ccnc1NC(=O)[C@@H]1CCCN(c2ccccn2)C1 1176957692 IPMKFWLUXDWCNM-GFCCVEGCSA-N 285.351 1.670 0 50 CDAA CN(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 858964 VLEJSVXWQQVRQO-ZIAGYGMSSA-N 282.409 1.838 0 50 CDAA CC1=C(C)CN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 335709439 YBKIQXQTDXFICZ-ZDUSSCGKSA-N 273.398 1.927 0 50 CDAA CCCc1cnc(C)nc1N[C@@H]1CCCCNC1=O 1529181236 LCTYRPSFJBBBCB-GFCCVEGCSA-N 262.357 1.818 0 50 CDAA Cc1ccc(S(=O)(=O)NCC[C@H]2CCNC2)c(C)c1 110796796 LVGBWNFZDUUDSB-CYBMUJFWSA-N 282.409 1.581 0 50 CDAA O=C(NCC[C@@H]1CCNC1)C1(c2ccccc2)CC1 110796279 DMEQNQUPXVJGDF-ZDUSSCGKSA-N 258.365 1.834 0 50 CDAA C[C@H](NC(=O)N[C@H](CCO)C(C)(C)C)[C@H]1CCOC1 253369784 ICHSMLWNSKOPKA-SDDRHHMPSA-N 272.389 1.508 0 50 CDAA CN(CC1CCOCC1)C(=O)c1cccc(C(=O)O)c1 111181886 DBGPZZMFRJDWRZ-UHFFFAOYSA-N 277.320 1.883 0 50 CDAA COC[C@H](C)C(=O)Nc1ccc(C(=O)O)c(C)c1 237234484 WTPKEECVQQIVRD-VIFPVBQESA-N 251.282 1.914 0 50 CDAA CCC1(CC)C[C@@H]1C(=O)N(CCO)Cc1ncc[nH]1 1704312206 NUZVBWJIZORYAU-LLVKDONJSA-N 265.357 1.557 0 50 CDAA O=C1CO[C@@]2(CCN(c3ccc4ccccc4n3)C2)CN1 1800413126 BDZCIEFQPQWFDT-INIZCTEOSA-N 283.331 1.330 0 50 CDAA Cc1ncsc1CCNC(=O)c1cnsc1 1857685079 BUKUVGZFWKLEAF-UHFFFAOYSA-N 253.352 1.881 0 50 CDAA CN1CCCC2(CC1)CCN(c1cncc(N)n1)CC2 1857711317 SWMUMTRROGFWCA-UHFFFAOYSA-N 275.400 1.761 0 50 CDAA CC[C@]12C[C@@H]1CN(C(=O)c1cc(=O)c(OC)c[nH]1)C2 1772814141 LKLWYBOGKCLNCH-YMTOWFKASA-N 262.309 1.256 0 50 CDAA Cc1ccccc1NC(=O)C[C@H](C(=O)O)N1CCOCC1 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1.483 0 50 CDAA O=C(N1CCC(Nc2ncccc2Cl)CC1)C1(O)CC1 1875296741 MVOURZJLVMNHCY-UHFFFAOYSA-N 295.770 1.663 0 50 CDAA O[C@H]1CC[C@H]2CCN(Cc3cnc4ccnn4c3)[C@H]1C2 1875276482 OQCKRLHCWHVMRL-UBHSHLNASA-N 272.352 1.465 0 50 CDAA O=C(NOC1CCC1)[C@@H]1CCCO[C@H]1c1ncc[nH]1 1875266358 BDHRHWMOXXZTJH-GHMZBOCLSA-N 265.313 1.478 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2cnccn2)CC1 1875369123 RKCWVQNLSMEHKM-NSHDSACASA-N 288.351 1.078 0 50 CDAA CC(C)(C)OC(=O)N1CCc2ncc(N)n2CC1 1875353969 MRQXDIZRBLNHBA-UHFFFAOYSA-N 252.318 1.259 0 50 CDAA Cc1noc(C)c1Cc1noc([C@H]2CNC[C@@H](C)O2)n1 888078354 LCSSNBLRRNXWJI-RDDDGLTNSA-N 278.312 1.315 0 50 CDAA C[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCCC[C@H]1C 248057745 CFWSDSLZPMVERL-RDBSUJKOSA-N 268.401 1.623 0 50 CDAA CCn1nccc1CN(C)C[C@@H]1CCc2nccn2C1 328628075 GXXBUGSTSSOXOA-ZDUSSCGKSA-N 273.384 1.794 0 50 CDAA CO[C@@H](C(=O)Nc1cccc(CC(=O)O)c1)C1CC1 668278321 BYUSGHSPAHZQHC-CYBMUJFWSA-N 263.293 1.677 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)CC(F)(F)F 643849085 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COC[C@@H]1C[C@H](OC)CN1C(=O)C1CCN(C2CC2)CC1 344629311 MJIGFSYNNCNFEL-GJZGRUSLSA-N 296.411 1.123 0 50 CDAA Cc1nccn1C[C@@H]1CCCN1CCN1CCO[C@@H](C)C1 249213681 DIEPXTVZOYWYCS-HOCLYGCPSA-N 292.427 1.377 0 50 CDAA Cc1cnc(N[C@@H](C)CCN2CCOCC2)nc1N(C)C 65431045 NWTAOPQKVFQIJL-ZDUSSCGKSA-N 293.415 1.374 0 50 CDAA COc1ccc(-n2c([C@H](C)OC)n[nH]c2=O)c(OC)c1 65528040 YARLZBMECCIIIT-QMMMGPOBSA-N 279.296 1.285 0 50 CDAA O=c1[nH]cc(-c2cc(F)cc(Br)c2)c(=O)[nH]1 334578 CUVFNDYDCRZPMH-UHFFFAOYSA-N 285.072 1.632 0 50 CDAA NC(=O)[C@H]1CCCN(C(=O)Nc2cccc3c2CCO3)C1 252497341 QEFIBVVOLDUABX-JTQLQIEISA-N 289.335 1.351 0 50 CDAA Nc1c(-c2ccccc2)cnc2nc(N3CCOCC3)nn12 1389292 ZPNSAUJUTLLXPA-UHFFFAOYSA-N 296.334 1.210 0 50 CDAA Cc1nc2c(c(N(C)CCCc3cnn(C)c3)n1)CNC2 72163694 XSAACHCPDUNCAA-UHFFFAOYSA-N 286.383 1.191 0 50 CDAA Cc1ncc(CN[C@H](CO)C[C@H](O)C(C)(C)C)s1 328590598 SOUGRWDTYAEPDF-JQWIXIFHSA-N 272.414 1.699 0 50 CDAA CN(C)[C@H]1CCCN(C(=O)c2ccnc(N)c2)CC1 72160952 FRJSEKVBRFLDNO-LBPRGKRZSA-N 262.357 1.220 0 50 CDAA 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255.339 1.921 0 50 CDAA CC[C@@]1(C)CCCN(c2cc(=O)n(C)c(=O)n2C)C1 663669665 BPWRAHAGUSRRCD-AWEZNQCLSA-N 265.357 1.101 0 50 CDAA Cc1nnc([C@@H]2CN(C(=O)CC3CC3)CCO2)o1 1875263152 MGEUVQGLZSZPGM-JTQLQIEISA-N 251.286 1.078 0 50 CDAA O=C(O)[C@]1(c2cccc(Br)c2)CCNC1 258431303 GZNIOGJFWGIBNA-LLVKDONJSA-N 270.126 1.765 0 50 CDAA Cc1conc1NC(=O)C(=O)Nc1cccc(F)c1 157502396 TXGOFOYOCXZJPR-UHFFFAOYSA-N 263.228 1.699 0 50 CDAA CCCCCOCC(=O)N[C@]1(C)CN2CCC1CC2 585126612 DBWICJSWXNXYNA-OAHLLOKOSA-N 268.401 1.794 0 50 CDAA Oc1cc(C2CCN(CC[C@@H]3COCCO3)CC2)ccn1 1775983076 XJWAYHLWIQIYMR-OAHLLOKOSA-N 292.379 1.772 0 50 CDAA O=C(NCc1cccn2nccc12)c1n[nH]c2c1CCC2 1772807396 USCBFSHIADIZBX-UHFFFAOYSA-N 281.319 1.476 0 50 CDAA Cc1ccc2[nH]c(C(=O)N3CCC(=O)N(C)CC3)cc2c1 12572252 JOXXXXRLTBKVAC-UHFFFAOYSA-N 285.347 1.781 0 50 CDAA CCN(C)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 12589772 KDMJZPDYCJXFMZ-INIZCTEOSA-N 294.370 1.631 0 50 CDAA Cc1cnc(CNC(=O)c2cc(C)nc(C)n2)cn1 19147043 VGZUMDZOPMRRAK-UHFFFAOYSA-N 257.297 1.122 0 50 CDAA COc1cccc(C(=O)OCCN2CCOCC2)c1 19564846 CMBVJDLWADOZKX-UHFFFAOYSA-N 265.309 1.184 0 50 CDAA Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CNC(=O)C1 19740153 ARXPSSPWRFSBLT-ZDUSSCGKSA-N 285.347 1.202 0 50 CDAA COc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=NNN32)c1 71604 JYTMZKCHOQMQJC-NSHDSACASA-N 286.295 1.053 0 50 CDAA O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(C2CCCCC2)C1 220410 AKDODHQNUBLKDI-GXTWGEPZSA-N 294.395 1.463 0 50 CDAA Cn1ccc(CNC(=O)NC[C@H]2CCC(C)(C)O2)c1 332354527 WETJYHILMVWJTH-GFCCVEGCSA-N 265.357 1.782 0 50 CDAA CCOc1ncccc1C(=O)N1CCC[C@H](C(=O)O)C1 237006444 WFASYQLFIJATHQ-JTQLQIEISA-N 278.308 1.417 0 50 CDAA C[C@H](Cc1cccs1)C(=O)N1CCO[C@H](C(=O)O)C1 237572385 USSOUPVOIRESNH-KOLCDFICSA-N 283.349 1.239 0 50 CDAA C[C@H](Cc1cccs1)C(=O)N1CC[C@H](C(=O)O)C1 237572632 APBZZVKHWWGWTJ-ZJUUUORDSA-N 267.350 1.860 0 50 CDAA CCc1cnccc1C(=O)N1CCOC[C@H]1CCOC 368267386 YYRYLIUNIYSTJD-CYBMUJFWSA-N 278.352 1.522 0 50 CDAA CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc2[nH]ccc2n1 907173479 CWCJIQCBCOCWFV-UWVGGRQHSA-N 286.335 1.207 0 50 CDAA O=C(NCc1ccc(NC(=O)C(F)(F)F)nc1)C1CC1 909480375 CBCZLOHCBHEXGD-UHFFFAOYSA-N 287.241 1.609 0 50 CDAA CCc1noc(COCC(=O)N2CCOC(C)(C)[C@@H]2C)n1 934830765 DYLNSSOWSLFTAY-JTQLQIEISA-N 297.355 1.175 0 50 CDAA COC1(C(=O)N2CCN(CCO)[C@@H](C)C2)CCCCCC1 935500099 QXFNBWUFBLCTOY-AWEZNQCLSA-N 298.427 1.251 0 50 CDAA Cn1c(Cl)ncc(I)c1=O 1857791342 UUAPHCNLERLEKD-UHFFFAOYSA-N 270.457 1.038 0 50 CDAA CCO[C@@H](CCNC(=O)O[C@H]1CNOC1)C1CCCC1 864094061 CBODFARHCCPIDO-STQMWFEESA-N 286.372 1.601 0 50 CDAA C[C@@H](NCc1cnn2c1CN(C)CC2)c1ccncc1F 952889953 QQLGCMNZSAOLKV-LLVKDONJSA-N 289.358 1.713 0 50 CDAA COc1nsc(CNC[C@H]2CN(C)CCO2)c1Cl 952994543 QXXCLAXOESJXRM-QMMMGPOBSA-N 291.804 1.225 0 50 CDAA Cn1nccc1[C@@H]1CC[C@](C(=O)O)(n2ccnc2)C1 1875280769 QDBQESXIRXASNO-MFKMUULPSA-N 260.297 1.364 0 50 CDAA CN(C)c1nc2ccccc2c(=NC[C@@H](O)C2CCC2)[nH]1 1875287031 SGDBDGCWFQMVFT-CQSZACIVSA-N 286.379 1.691 0 50 CDAA C[C@H]1C[C@H](C)CN(C(=O)/C=C/CN2CCOCC2)C1 1875334985 OBSUGXZANIELSL-NVFZZLLCSA-N 266.385 1.379 0 50 CDAA CC(C)[C@H](C(=O)NOc1ccccc1F)n1cnnc1 1875395473 YJMUKCGDBUAWFL-GFCCVEGCSA-N 278.287 1.725 0 50 CDAA COC(=O)c1n[nH]c2ccc(C(=O)NC3CC3)cc12 1875300387 BCNRVLRBTZCFSQ-UHFFFAOYSA-N 259.265 1.242 0 50 CDAA c1cc2c(cn1)N1CC[C@@H](C1)N2C[C@@H]1[C@H]2CCOC[C@H]21 1875356570 QRGDWFLCCCLARQ-REWJHTLYSA-N 271.364 1.763 0 50 CDAA O=C(NCC1(O)CCC1)c1cnc2ccccc2n1 134942619 SUUKZMWNIWZNGL-UHFFFAOYSA-N 257.293 1.275 0 50 CDAA C[C@H]1CCCN1C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 896755559 CDKYOJQEOMQGAY-GWCFXTLKSA-N 262.357 1.801 0 50 CDAA CC(C)(C)OC(=O)NC1([C@H]2CC[C@H](C(=O)O)NC2)CCC1 1775955433 SGYGFFILQSPOLZ-WDEREUQCSA-N 298.383 1.887 0 50 CDAA O=c1c2[nH]c3ccccc3c2cnn1C1CCNCC1 899363047 BZVJMFZDWFZPSA-UHFFFAOYSA-N 268.320 1.802 0 50 CDAA Cn1cc(Br)nc(Br)c1=O 39384805 LNVJQIHAUHVGEV-UHFFFAOYSA-N 267.908 1.305 0 50 CDAA in-vitro COC(=O)[C@H]1CCc2nnc(CC(C)(C)C)n2C1 260267968 JMKUDZLJUWXYPF-VIFPVBQESA-N 251.330 1.602 0 50 CDAA Cc1cccnc1CCNC(=O)N1CCC[C@H](O)C1 297571978 QOHUHZGQKFMHDS-LBPRGKRZSA-N 263.341 1.099 0 50 CDAA CCc1nn(C)cc1CN(C[C@@H]1CCCN1)C1CC1 311295627 UXPFOMBDELVJQP-ZDUSSCGKSA-N 262.401 1.699 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)Cc3cccs3)C[C@H]21 426689342 WLTZGGAZHDXOBU-JZYVYDRUSA-N 251.307 1.080 0 50 CDAA CCc1ncnc(N2C[C@H]3C[C@@H](O)CC[C@H]3C2)c1F 399064038 OVIKDVOHRYNFHZ-AXFHLTTASA-N 265.332 1.775 0 50 CDAA COc1cccnc1NC(=O)[C@H]1CCC[C@@H](C(=O)O)C1 832633361 SVTFVALTQHPSCB-VHSXEESVSA-N 278.308 1.920 0 50 CDAA Cc1cc(CNC(=O)c2cccc([S@@](C)(=N)=O)c2)no1 2325874565 RRJHFMIWVIBHQX-FQEVSTJZSA-N 293.348 1.948 0 50 CDAA CN(C)Cc1ccc(C(N)=O)cc1NCc1cnccn1 856774652 LHUPSBSJGORLCI-UHFFFAOYSA-N 285.351 1.249 0 50 CDAA O=C(c1ccnc2[nH]c(O)nc12)N1CCCCCC1 899905330 VRIFLYXZFJUMPV-UHFFFAOYSA-N 260.297 1.680 0 50 CDAA O=S(=O)(c1cccc2nonc12)N1CCCCCC1 105001 JFBSDKGAPPBYOD-UHFFFAOYSA-N 281.337 1.788 0 50 CDAA Cc1cc2ccccc2n2c(SCC(N)=O)nnc12 203067 KEAHOXMFGQYZGB-UHFFFAOYSA-N 272.333 1.768 0 50 CDAA O=C(O)CCn1c(=O)oc2cc(Br)ccc21 245911 IAFZBVTUIXNIPJ-UHFFFAOYSA-N 286.081 1.832 0 50 CDAA O=C(O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O 292605 SMHXCNFVPMENIX-UHFFFAOYSA-N 282.255 1.576 0 50 CDAA C[C@H](COc1ccccc1)NC(=O)CN1CCCC1 394454 CFSHHPUWWPSARG-CYBMUJFWSA-N 262.353 1.666 0 50 CDAA CCOc1ccc(C(=O)Nc2nnn(CC)n2)cc1 578579 BSQRIDSAZXOUOE-UHFFFAOYSA-N 261.285 1.344 0 50 CDAA Cn1cccc(CN2CC[C@H](c3ccccc3)[C@H](O)C2)c1=O 2356133852 HSNMDMQSDYKBOB-IAGOWNOFSA-N 298.386 1.736 0 50 CDAA c1ccc(Cc2ncoc2[C@]23CNC[C@H]2COC3)cc1 2356170848 XPIOJQBRXIFCEO-BBRMVZONSA-N 270.332 1.753 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)no1 4975742 FPGAPUFOFGYENP-SECBINFHSA-N 265.313 1.569 0 50 CDAA CC(C)n1c(SCC(N)=O)nnc1-c1ccco1 6698794 NIMFCFIIAILTIP-UHFFFAOYSA-N 266.326 1.696 0 50 CDAA CC(=O)N1CC[C@H](N2CCC[C@@H](O)C2)c2ccccc2C1 222338820 VZDSAFWZUINVFB-WBVHZDCISA-N 288.391 1.937 0 50 CDAA CCN1C(=O)C2(OCCO2)c2cc(Cl)ccc21 8047135 BMZBIXLKVCADMD-UHFFFAOYSA-N 253.685 1.906 0 50 CDAA COC(=O)CCC(=O)N(Cc1c(C)nn(C)c1C)C(C)C 55133440 BFAVPQNAOCIQJF-UHFFFAOYSA-N 295.383 1.727 0 50 CDAA COc1cccc(-c2ccnc3c2c(=O)n(C)c(=O)n3C)c1 9341446 VWWMRHUEZAEGBR-UHFFFAOYSA-N 297.314 1.308 0 50 CDAA NC(=O)CNCc1c(F)cccc1OC(F)(F)F 225806942 POWJNDSBFOKTQG-UHFFFAOYSA-N 266.194 1.299 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cccn1C 67304767 VWYURKKWVPGYQH-SECBINFHSA-N 260.341 1.866 0 50 CDAA O=C(NC1CCN(Cc2ccccn2)CC1)[C@@H]1CCOC1 66918603 HMNRPFVEJRVHQY-CYBMUJFWSA-N 289.379 1.199 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H]2OCCC[C@@H]2C1 110915652 XVYGRSFUCGOEMZ-OUAUKWLOSA-N 285.340 1.733 0 50 CDAA CN(Cc1csc(-c2cccs2)n1)C[C@H](O)CO 65461480 RUGPLBBLGMAPFB-JTQLQIEISA-N 284.406 1.657 0 50 CDAA COc1cccc(C(=O)NCCc2nnc(N)s2)c1 20201492 FIQBQQANNFMAHV-UHFFFAOYSA-N 278.337 1.101 0 50 CDAA C=Cc1cccc(CN2C[C@@H]3CNC[C@]3(C(=O)O)C2)c1 65381405 HKMVIBDXJWDYGR-HOCLYGCPSA-N 272.348 1.436 0 50 CDAA Cn1nnc2cc(C(=O)Nc3cnc4n3CCCC4)ccc21 67727301 OTQUXVRDANQWRA-UHFFFAOYSA-N 296.334 1.753 0 50 CDAA O=C(NC[C@H](CO)Cc1cccs1)c1cccnc1 67803717 ZYDIMYMDVWCQBP-LLVKDONJSA-N 276.361 1.724 0 50 CDAA CC(=O)N1CCC(N(C)CCN2CCCC[C@@H]2C)CC1 65371148 HWWWWDSHDWFZSG-AWEZNQCLSA-N 281.444 1.804 0 50 CDAA Cc1cnccc1CN(C)C(=O)CCN1CCCCO1 67675648 UWKRAOWDPQKREV-UHFFFAOYSA-N 277.368 1.766 0 50 CDAA CN(C)c1nccnc1-c1cccc2c1O[C@H](CN)C2 67883493 PQKRIDBPHJDWQD-NSHDSACASA-N 270.336 1.472 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1C 35993524 JREOVLFUWFJUDX-UHFFFAOYSA-N 282.409 1.548 0 50 CDAA CSCC(C)(C)C(=O)N1CCC[C@H](Cn2ccnn2)C1 328586556 FEYDOMBMIXUBDE-LBPRGKRZSA-N 296.440 1.906 0 50 CDAA COc1ccc(F)c(F)c1CN1CCO[C@H](C(=O)O)C1 72438642 VEYGITPQGSFTQC-NSHDSACASA-N 287.262 1.259 0 50 CDAA Cc1ccc(OC2CN(C(=O)c3ccc(=O)[nH]c3)C2)cc1 215095834 JBJSUDZYHWVJCJ-UHFFFAOYSA-N 284.315 1.587 0 50 CDAA Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@@H]1c1ccncc1 153169907 KCLDPKWXKISGSJ-CYBMUJFWSA-N 298.346 1.496 0 50 CDAA Cc1nc([C@@H](C)NS(=O)(=O)c2cccc(F)c2)no1 129585438 HAYCUWLNWGVBDO-SSDOTTSWSA-N 285.300 1.557 0 50 CDAA Cc1nc(Cc2noc([C@@H]3CCCOC3)n2)no1 329398556 XBKNZMZWJUYKBF-MRVPVSSYSA-N 250.258 1.246 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1cnc(C(C)C)nc1C 71749163 BHHAGQYZRHLPRK-STQMWFEESA-N 293.367 1.442 0 50 CDAA CN(C)C[C@]1(O)CCCN(CCOc2ccc(F)cc2)C1 72138781 XNIXDOJALFIERW-MRXNPFEDSA-N 296.386 1.593 0 50 CDAA COc1nc(Br)nn1[C@@H]1CCCCO1 74934365 CSIHQJSSRUNKKX-LURJTMIESA-N 262.107 1.748 0 50 CDAA CC(C)n1ccc(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)n1 280506629 QBAXOLXTWHQZRU-UHFFFAOYSA-N 299.334 1.896 0 50 CDAA CN(C)c1cc(NC(=O)c2cc(C3CC3)n(C)n2)ncn1 331497044 LDYXURQWHLLWRK-UHFFFAOYSA-N 286.339 1.406 0 50 CDAA C[C@H](C(=O)N1CCc2[nH]ncc2C1)N(C)CC(F)(F)F 280854342 LOOHGPJDYSVKAP-MRVPVSSYSA-N 290.289 1.177 0 50 CDAA CCN(C)C[C@H](C)CNc1nc(C)nc2c1CCNCC2 72422086 OVZFJUQURSYGJQ-GFCCVEGCSA-N 291.443 1.473 0 50 CDAA CC(C)CCN1Cc2cccc(NC(=O)CN)c2C1 236718000 NWTCSYLRYSARQL-UHFFFAOYSA-N 261.369 1.946 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2SCCc3ccccc32)CCN1 237759866 AGPBSNXADRLMBO-SMDDNHRTSA-N 276.405 1.837 0 50 CDAA C[C@H]1CN(C(=O)[C@@H](C)c2ccc(Cl)s2)CC(=O)N1 334545916 JXXXUBWHRIJTGU-YUMQZZPRSA-N 286.784 1.852 0 50 CDAA CCCC[C@@H](C)C(=O)NC[C@@H]1CCCS1(=O)=O 337117137 ZSHJTGKMYFJESR-MNOVXSKESA-N 261.387 1.506 0 50 CDAA CCN(C(C)=O)c1nc(CN2CCC(O)CC2)cs1 48695174 DJXGUHMDMYLYLF-UHFFFAOYSA-N 283.397 1.473 0 50 CDAA CC(C)(C)C(=O)Cn1cc(C(=O)NCC(F)(F)F)nn1 174538060 ZQWOBTBTBKFTQI-UHFFFAOYSA-N 292.261 1.185 0 50 CDAA Cc1[nH]cnc1CNC(=O)[C@H](O)c1cccc(F)c1 220354760 FLCNIGUTJXQCSF-GFCCVEGCSA-N 263.272 1.207 0 50 CDAA Cc1ncc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 328578389 KELLGIKLKHELIO-UHFFFAOYSA-N 278.356 1.842 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC1Cc2ccccc2C1 222289829 PYHMYSJRYVGRGV-HZMVEIRTSA-N 273.376 1.793 0 50 CDAA NC(=O)c1nnn2c1CO[C@H](c1ccccc1Cl)C2 221634163 CUCWANYRVPXIFX-JTQLQIEISA-N 278.699 1.302 0 50 CDAA O=C(O)Cn1ccc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 426690319 PGGDAPWGDQHTGW-GFCCVEGCSA-N 291.351 1.474 0 50 CDAA COc1ccccc1/C(C)=C/C(=O)N(C)[C@H]1CCNC1 179103253 MCPLYNCXVBIVTG-XSNHNAGMSA-N 274.364 1.919 0 50 CDAA CCn1cc(CN(C)c2ncnc3c2c(C)nn3C)c(C)n1 426534157 YPQKSNMRIPLIBF-UHFFFAOYSA-N 299.382 1.833 0 50 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C[C@@H](C(=O)N1CC(c2nc3ccccc3[nH]2)C1)n1ccnc1 426521143 CRKIWVHNLNITAT-NSHDSACASA-N 295.346 1.946 0 50 CDAA Cc1nc(C)c(C(=O)N2CC(C)(C)[C@@](C)(O)C2)s1 91725153 KZTSPKOQDPSVLK-ZDUSSCGKSA-N 268.382 1.993 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@H](N)C1 426478813 NVUWVGSFYWLQOL-SNVBAGLBSA-N 274.290 1.727 0 50 CDAA CNC(=O)[C@H]1CCN(c2ncccc2C(F)(F)F)C1 335603638 CFECQXSAXLOYHS-QMMMGPOBSA-N 273.258 1.673 0 50 CDAA CNC[C@H]1CCN(C(=O)COc2ccc(F)cc2F)C1 178979907 UKNBKJMRSVLUSX-SNVBAGLBSA-N 284.306 1.412 0 50 CDAA CNC[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c(C)c2)C1 179028660 BTNOMECOJGTQQG-CYBMUJFWSA-N 299.378 1.257 0 50 CDAA CCCC[C@H](CC)CNC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239439305 ZSKVQAPLQMBJCD-ZSLBOAEBSA-N 295.379 1.973 0 50 CDAA COCCCn1cnnc1[C@@H](C)Nc1ncccn1 91364998 NDYOMDMOEQGNNM-SNVBAGLBSA-N 262.317 1.278 0 50 CDAA CCNC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 91365288 QJUXDBRKWCEHSN-NWDGAFQWSA-N 262.309 1.516 0 50 CDAA O=C(COCc1ccccc1)NCC[C@@H]1CCOC1 344257651 CMKWTQNYEISGCF-CQSZACIVSA-N 263.337 1.746 0 50 CDAA C[C@@H](CN(C)C[C@H]1CC[C@@H](N)CC1)N1CCOCC1 244887823 YPDCGROXAXZILZ-SOUVJXGZSA-N 269.433 1.156 0 50 CDAA CN1C[C@@]2(CCCN(Cc3nnc(C4CC4)o3)C2)OC1=O 252510285 ZGDWCRQICLCJTI-CQSZACIVSA-N 292.339 1.364 0 50 CDAA CO[C@H](C)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 299655317 KIBKISDWYIIDFB-TZMCWYRMSA-N 278.352 1.624 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[S@](=O)C1 257365127 PRDURGTXZLLRFK-MDWPOOTQSA-N 277.389 1.736 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)[C@H]2CSc3ccccc3O2)C1 299741364 FINPYJKTWSJTFA-GXSJLCMTSA-N 293.344 1.473 0 50 CDAA O=S(=O)(NCC1(Cn2cccn2)CC1)c1cccnc1 534661287 YGULQSNYBVFHLA-UHFFFAOYSA-N 292.364 1.037 0 50 CDAA CN=c1[nH]c(C)cc(=NCCCc2nc3ccccc3[nH]2)[nH]1 534656731 FMYCMJNAXOLARR-UHFFFAOYSA-N 296.378 1.592 0 50 CDAA O=C(O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1 1775973464 RJGDKZFSTRIDBB-UHFFFAOYSA-N 291.351 1.081 0 50 CDAA O=C(CCn1cnnn1)NCC1(c2ccccc2)CCCC1 299769555 YCJWZPFTUOTSHH-UHFFFAOYSA-N 299.378 1.691 0 50 CDAA CCCC(=O)NCC1(C(F)(F)F)CCNCC1 725264678 GTJORXDOJFYEFE-UHFFFAOYSA-N 252.280 1.835 0 50 CDAA C[C@@H](CNS(=O)(=O)C1CC1)NC1(C2CCCC2)CC1 821826842 RMYCJILKUBLAFS-NSHDSACASA-N 286.441 1.769 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cnc(NC(C)C)nc2)n[nH]1 821903022 NTUBCIUQQGFQJV-QMMMGPOBSA-N 289.343 1.214 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)CCc1cccc(O)c1 584895108 YTHOHEQHTPUYHK-UHFFFAOYSA-N 292.379 1.746 0 50 CDAA CC(=O)N[C@@H](C(=O)NCc1cnc(C)c(C)c1)C(C)C 670445315 GNRAVXGAKINBHI-CQSZACIVSA-N 277.368 1.475 0 50 CDAA CC(C)c1nc(CNC(=O)c2onc3c2CCCC3)no1 670468813 YQTVLEYYICXUBA-UHFFFAOYSA-N 290.323 1.990 0 50 CDAA CC(C)CC(=O)N1CCN(C[C@@H]2CCCOC2)CC1 670439137 JTAYOUQJWVUZCC-AWEZNQCLSA-N 268.401 1.603 0 50 CDAA Nc1cnc2cccnc2c1I 66054295 JVBCOKNQHUKGGS-UHFFFAOYSA-N 271.061 1.817 0 50 CDAA in-vitro CCn1ccc(CNC[C@H]2CC(=O)N(C3CCCC3)C2)n1 952966476 WNCLMOVOWJAVEW-CYBMUJFWSA-N 290.411 1.784 0 50 CDAA CCCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12001854 ZRRNVNDSOKFRRJ-UHFFFAOYSA-N 296.392 1.892 0 50 CDAA Cc1cnc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)c(C)c1 1553502838 DLVNLNBKQNQNFO-BBRMVZONSA-N 288.395 1.374 0 50 CDAA COc1ccc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1 1579988773 QZBVRJMJVWIOBX-UHFFFAOYSA-N 285.263 1.721 0 50 CDAA O=C(N[C@]12CCC[C@H]1NCC2)c1nncc2ccccc12 1580599371 XTIOHAGAXONZTO-CJNGLKHVSA-N 282.347 1.644 0 50 CDAA C[C@@H](CC(=O)O)NC(=O)c1ccnn1CC1CCC1 630130946 DIEBCVUBMQQHOU-VIFPVBQESA-N 265.313 1.276 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NC2(C3(C)CC3)CC2)CC(=O)N1 408462333 DCJOBXZJBAIFBE-NXEZZACHSA-N 250.342 1.350 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)Cc2c[nH]c3ncccc23)C1 165501927 AZIVLCQRNPMLPA-JTQLQIEISA-N 287.319 1.429 0 50 CDAA COc1cc2c(cc1NCc1nc(C)no1)NC(=O)CC2 274361882 QMFMFZULZBMXJC-UHFFFAOYSA-N 288.307 1.883 0 50 CDAA CN(Cc1ncccn1)[C@@H]1CCN(C(=O)C2CC=CC2)C1 275492260 ABFUOOANRJUZCW-CQSZACIVSA-N 286.379 1.476 0 50 CDAA NC(=O)CCC1CCN(Cc2ccc(N)nc2)CC1 170597536 BDVUXDITQWLHGU-UHFFFAOYSA-N 262.357 1.141 0 50 CDAA C[C@H]1COCCN1CCN(C)CC[C@@H]1CCCCN1C 170607445 XHHTUCHDLQGMMP-HOTGVXAUSA-N 283.460 1.513 0 50 CDAA CNC(=O)[C@@H](NC(=O)CNc1ccccc1Cl)C(C)C 170681830 KGPIFBOZSWMANB-ZDUSSCGKSA-N 297.786 1.639 0 50 CDAA COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccsc1 188789727 GYGXLQVEYCEEFZ-GHMZBOCLSA-N 255.339 1.246 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1c(F)cccc1F 643847124 XPIVJZHKLITWQZ-CQSZACIVSA-N 299.273 1.671 0 50 CDAA CC(C)c1noc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 192922051 PTUZPNSFKCKSCM-WDEREUQCSA-N 277.328 1.869 0 50 CDAA O=C(Nc1cccnc1N1CCCC1)[C@H]1CCCO1 584908237 LSXHIVRGYZODQR-GFCCVEGCSA-N 261.325 1.799 0 50 CDAA Cc1c(CN(C)C(=O)[C@@H]2CCc3cncn3C2)cnn1C 565775882 BDGXTTLWULQJJM-GFCCVEGCSA-N 287.367 1.146 0 50 CDAA COc1ccc(Cl)cc1Cn1ncccc1=O 195419523 VYORYFOJHUGNBZ-UHFFFAOYSA-N 250.685 1.954 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)N1 585135626 SXORGSUISIQLTL-UHIISALHSA-N 282.384 1.365 0 50 CDAA Cc1noc2cc(NC(=O)[C@@H]3COCCO3)ccc12 585126928 LNFQAGMFTCGOEC-LBPRGKRZSA-N 262.265 1.490 0 50 CDAA O=C(NCc1nccs1)[C@H]1CCC[C@H]2CCCN21 585121984 ITLGEJIXZWZLIZ-WDEREUQCSA-N 265.382 1.776 0 50 CDAA Cc1nsc(C)c1NC(=O)COC[C@@H]1CCCO1 585124835 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Cc1noc([C@@H]2CN(CC3C[C@@H]4C[C@H]4C3)CCN2C)n1 606445757 XQGOHHAVANHZHN-MCIONIFRSA-N 276.384 1.713 0 50 CDAA Cc1cc(N(C)C[C@H]2CCc3nccn3C2)ncn1 328628730 OAFPLMMHVJQLNX-GFCCVEGCSA-N 257.341 1.680 0 50 CDAA O=C(N[C@@H]1CCNC1)c1cccc(-c2noc(C3CC3)n2)c1 126922967 BUVBHDWWZHLWCT-CYBMUJFWSA-N 298.346 1.706 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nc(C(C)C)no2)C1 643859826 RLECTDWWQFGJJF-MNOVXSKESA-N 291.355 1.878 0 50 CDAA C[C@@]1(O)CCN(C(=O)N[C@@H]2CCCC23CCOCC3)C1 332691018 AXIDNVGUFUAAHZ-TZMCWYRMSA-N 282.384 1.502 0 50 CDAA O=C(O)CCN(C(=O)C1CCC1)C1CCOCC1 238061142 SSQPRPXVWAKHPZ-UHFFFAOYSA-N 255.314 1.269 0 50 CDAA CN1C[C@H]2CN(C(=O)c3ccnn3-c3ccccc3)C[C@H]2C1 253419660 AQROMQJWUUQIMV-OKILXGFUSA-N 296.374 1.506 0 50 CDAA CC1(C)CN(C(=O)CCc2nc[nH]n2)[C@@H]2CCC[C@H]2O1 369720111 FBZCMHCMRGQVSG-GHMZBOCLSA-N 278.356 1.296 0 50 CDAA O=C(O)c1cccc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c1 579956387 FQZHRYUZFJQIEF-LBPRGKRZSA-N 285.303 1.395 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccc(F)cn1 263014342 SKLIOQQZPTWPJR-LLVKDONJSA-N 296.298 1.078 0 50 CDAA C=CC(=O)N(CC)CC(=O)NC1([C@H]2CCCCO2)CCC1 913775721 QKQYUIGTYMMYPY-CYBMUJFWSA-N 294.395 1.629 0 50 CDAA OCc1ccc(F)c(CN[C@@H]2CCNC23CCC3)c1 903471495 JQLKPAMLSNXDFF-CQSZACIVSA-N 264.344 1.692 0 50 CDAA CCN(C[C@@H]1COc2ccccc2O1)C[C@@H]1C[C@H]1C(=O)O 903887413 QGTBXGLFJFLUMY-YNEHKIRRSA-N 291.347 1.869 0 50 CDAA C=CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 848979388 VKNARTYXUGAVQA-UHFFFAOYSA-N 280.349 1.046 0 50 CDAA Cc1ccc(-c2n[nH]cc2CNCC2(n3ccnn3)CC2)o1 1875299584 PJQLZJCZQHKZKA-UHFFFAOYSA-N 298.350 1.849 0 50 CDAA CC(C)C(=O)N1CCS(=O)(=O)N2CCCCC[C@H]12 1875302597 XPCRQYAVDWESGS-LLVKDONJSA-N 274.386 1.017 0 50 CDAA CO[C@@H]1C[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C(=O)O)C[C@@H]21 1875311416 YIKBGYREJRIYTB-FMWHRHKMSA-N 293.363 1.273 0 50 CDAA Cc1ccc(N2CC[C@H](CN(C)C(=O)c3ccc[nH]3)C2)nn1 1875302704 CXJPFYXRJPNYRT-CYBMUJFWSA-N 299.378 1.712 0 50 CDAA CC(C)(C)n1cc(Cn2cc([C@@H](O)C3CC3)nn2)cn1 881361743 CUIVPZBNVWNQRK-ZDUSSCGKSA-N 275.356 1.721 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)[C@H]1CC12CCOCC2 128614183 SGYHZWIRWFRIDG-MNOVXSKESA-N 267.325 1.269 0 50 CDAA CC1CCC(O)(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)CC1 886078196 PVKMOTIGLAOSOO-IZTSSTLKSA-N 296.455 1.505 0 50 CDAA O=C(NCCCn1cccn1)Nc1cnsc1 888095495 JXNDAYBZCILCPH-UHFFFAOYSA-N 251.315 1.551 0 50 CDAA O=C(OCC(F)(F)F)N1CC[C@@H](c2cc[nH]n2)C1 1775987599 GYRAQPJUVTYZBH-SSDOTTSWSA-N 263.219 1.898 0 50 CDAA N[C@@H]1CC12CCC(NC(=O)c1ccc3c(c1)CNCC3)CC2 1775961403 YGPQFYCWOZDMKC-UPTPFMHGSA-N 299.418 1.722 0 50 CDAA O=C(/C=C/C1CCOCC1)N1[C@@H]2CC[C@@H](C2)CS1(=O)=O 1775987788 KQIIBXLLQYBSKS-YLGNMVSYSA-N 299.392 1.310 0 50 CDAA CCCc1ccc(CN2CC(CO)(CO)C2)s1 1775993639 TWKXRGSZTHUBPM-UHFFFAOYSA-N 255.383 1.487 0 50 CDAA Cc1nc(CN2C[C@@H](C(=O)O)Cc3cc(F)ccc32)n[nH]1 1775999326 SDNXIVJJYNLKNR-JTQLQIEISA-N 290.298 1.516 0 50 CDAA O[C@H](CN1CCCC[C@H]1c1nccs1)Cn1cccn1 249868639 IYJNWOKZTXSGRO-OLZOCXBDSA-N 292.408 1.928 0 50 CDAA Cc1cc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)no1 20908369 DGDVJRRPIWSPKO-HNNXBMFYSA-N 272.304 1.717 0 50 CDAA O=C(CN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)NCC(F)F 252510330 ZHPGHYBTGZPEIB-WTPMCQDGSA-N 272.339 1.782 0 50 CDAA C[C@H]1CC[C@@H](C(=O)NCCc2ccc(C(=O)O)cc2)O1 155475416 VXVGPUJGLYKCHS-GWCFXTLKSA-N 277.320 1.611 0 50 CDAA CC[C@@H](OC)C(=O)Nc1ccc(C(=O)O)cc1F 261974537 VAYSZVDNPHNSLT-SNVBAGLBSA-N 255.245 1.887 0 50 CDAA COCCCNC(=O)CCc1ccc2c(c1)OCO2 62065157 HHUVSXQOCFEGSQ-UHFFFAOYSA-N 265.309 1.501 0 50 CDAA O=C(O)CCC1CCN(C(=O)C[C@H]2CCOC2)CC1 401180847 BDXCDDJNGKGERD-GFCCVEGCSA-N 269.341 1.516 0 50 CDAA CCOCCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 77357792 XONXFYBZCPRAOM-NSHDSACASA-N 251.330 1.542 0 50 CDAA O=C(c1nccc2ccccc12)N1C[C@@H](O)C2(CC2)C1 336111345 QEKWWXKPGGTSCV-CYBMUJFWSA-N 268.316 1.832 0 50 CDAA OCc1ccc(CN2CCC[C@H]2Cn2cncn2)cc1 378505524 MXDTWDMTQSATOT-HNNXBMFYSA-N 272.352 1.435 0 50 CDAA O=C(O)c1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccn1 386759431 HVJVJROCCXQBJY-FXPVBKGRSA-N 262.265 1.286 0 50 CDAA Cn1nc(C(=O)NC(C)(C)C)c2ccccc2c1=O 1431677 SSWBOZAHTZXXHZ-UHFFFAOYSA-N 259.309 1.462 0 50 CDAA CN1CC[C@@H]1CNC(=O)c1cc2c(F)ccc(F)c2[nH]1 2325763275 CRTWDMJXHHXSFD-MRVPVSSYSA-N 279.290 1.880 0 50 CDAA COCCCn1c(N2CC[C@@H]3C[C@H]3C2)nnc1C(C)(C)O 2325769398 MWZHTJSQPPOPCG-NEPJUHHUSA-N 294.399 1.388 0 50 CDAA Cc1cc(C)cc(C2(C(=O)N[C@H](C)[C@H](O)C(=O)O)CC2)c1 2325792225 MTLGUJZHHIDVPB-YPMHNXCESA-N 291.347 1.285 0 50 CDAA C[C@@H]1OCCN(Cc2c(N)cc(F)cc2F)[C@H]1C(=O)O 2325792696 FTNUQRZAGLLUQO-JVXZTZIISA-N 286.278 1.221 0 50 CDAA CO[C@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C)C1 1433932355 MPLCIMMDTHRMLQ-RYUDHWBXSA-N 288.351 1.457 0 50 CDAA Cc1oc(C(C)C)cc1C(=O)N1CCOC[C@@H]1CO 912416804 PJFYSSWLTWFLRX-NSHDSACASA-N 267.325 1.545 0 50 CDAA CN(C[C@@H](O)c1ccc(Cl)cc1Cl)C[C@H](O)CN 923365841 GXBNYRLBQDQCML-BXKDBHETSA-N 293.194 1.278 0 50 CDAA COc1cnn(Cc2ccccc2)c(=O)c1Cl 163632 KVZQNLPOHROISY-UHFFFAOYSA-N 250.685 1.954 0 50 CDAA CCOC(=O)[C@H]1CC(=O)Nc2cc(OC)c(OC)cc21 226998 NMBUKHHVRYVFLL-VIFPVBQESA-N 279.292 1.693 0 50 CDAA CS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccccc1 382395 UDTFBQDVIWPZMP-UHFFFAOYSA-N 296.392 1.071 0 50 CDAA Cc1cc(C)nc(NC(=O)CSc2nccc(C)n2)n1 462820 MWTCIJZLOPWLHX-UHFFFAOYSA-N 289.364 1.923 0 50 CDAA CCOc1ccccc1N1CCN(S(=O)(=O)CC)CC1 473414 NGIGGTIBBXUBRO-UHFFFAOYSA-N 298.408 1.557 0 50 CDAA CC(=O)N1C(=O)C(=O)c2cc(Br)ccc21 2030694 RWHNHBSIKDWLFH-UHFFFAOYSA-N 268.066 1.525 0 50 CDAA CN1Cc2cc(-c3cnc4cnccn34)ccc2C1=O 2356147212 MYITZJPORSIKRL-UHFFFAOYSA-N 264.288 1.982 0 50 CDAA CC(=O)NCCNc1nsc2nc(C)cc(C)c12 2356149898 DQMUABJOLVMKRJ-UHFFFAOYSA-N 264.354 1.856 0 50 CDAA Cc1nc2ccnn2c(N2CCC(C(N)=O)CC2)c1C 2356151252 ZUCMSVJDDQAPEF-UHFFFAOYSA-N 273.340 1.048 0 50 CDAA CC(C)N1CCC[C@@]2(CCCN2CCn2ccnc2)C1=O 2356162784 JYOGMBJUBIMSIV-INIZCTEOSA-N 290.411 1.749 0 50 CDAA O=C(NCc1ccccn1)C(=O)NC1CCCCCC1 2991906 PYPMAEHQNCJZDL-UHFFFAOYSA-N 275.352 1.537 0 50 CDAA NCCCCC[C@]1(c2ccc(Cl)cc2)NC(=O)NC1=O 6658167 SSGGLJNBVJJIDW-CQSZACIVSA-N 295.770 1.894 0 50 CDAA CCc1c(C)[nH]c2nc(-c3cccnc3)nn2c1=O 101663333 LAFMTLOREFFWJN-UHFFFAOYSA-N 255.281 1.350 0 50 CDAA CCCCN1C[C@@H](C(=O)Nc2nccs2)CC1=O 8269734 USJWHZPDEGHUIC-VIFPVBQESA-N 267.354 1.730 0 50 CDAA CCCCCc1c(O)nc(SCC(=O)O)nc1O 8838320 PYXXZSQXIYTEDK-UHFFFAOYSA-N 272.326 1.797 0 50 CDAA Cc1cc(NCCN2CCCC2)nc(N2CCOCC2)n1 65492104 QGWAIDSMLDXVJA-UHFFFAOYSA-N 291.399 1.129 0 50 CDAA Oc1nnc(Cn2ccnc2-c2ccc(F)c(F)c2)[nH]1 67472885 VEVIQSCCTKACDM-UHFFFAOYSA-N 277.234 1.700 0 50 CDAA COc1cnc(N(C)C(=O)Cc2c(F)cccc2F)nc1 344377950 BETLOKCCWBZDRL-UHFFFAOYSA-N 293.273 1.969 0 50 CDAA C/C(=C\c1ccccc1)CN1CCN(CCO)CC1 23281864 UVHJVPGRVSFECF-FYWRMAATSA-N 260.381 1.700 0 50 CDAA Cc1cccc(N2C[C@@H](c3nnc(N)s3)CC2=O)c1 20204003 GHWNBYJXKDUBBJ-VIFPVBQESA-N 274.349 1.949 0 50 CDAA Cc1nn(C)c(NC(=O)Cn2cncn2)c1-c1ccccc1 20598567 CGHCMCZUUDVBRP-UHFFFAOYSA-N 296.334 1.626 0 50 CDAA Cc1nc[nH]c1CN(C)Cc1nc(-c2cccnc2)no1 65387518 VMCJTSNOYRGCLG-UHFFFAOYSA-N 284.323 1.795 0 50 CDAA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)c2cc[nH]c2)C1 328647315 TYONWEVBQICWJK-UHFFFAOYSA-N 291.351 1.647 0 50 CDAA CN(C)CCOC(=O)COc1ccc(Cl)cc1 1531029 XZTYGFHCIAKPGJ-UHFFFAOYSA-N 257.717 1.824 0 50 CDAA biogenic,world O=C1C[C@]2(CCc3cc(Br)ccc32)C(=O)N1 127817924 ZSEXZGPBZMYCND-LBPRGKRZSA-N 280.121 1.680 0 50 CDAA Cc1nccn1-c1ccccc1CNS(C)(=O)=O 32497826 XQXLREHVVUZCBX-UHFFFAOYSA-N 265.338 1.230 0 50 CDAA C[C@@H](Nc1ccnc(N(C)C)n1)C1CCOCC1 230218050 CVJQXNNQGWJXPD-SNVBAGLBSA-N 250.346 1.770 0 50 CDAA O=c1ccncn1CCc1nc(Cc2cccs2)no1 426331686 AOPVDDKVPRUPKP-UHFFFAOYSA-N 288.332 1.521 0 50 CDAA Cc1nccc(C(=O)N2CCC[C@]2(CO)CC(C)C)n1 252492892 MWUFFXDSBAYTEU-OAHLLOKOSA-N 277.368 1.798 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)on1 253392528 AFRYIJXKYSKDIB-AAEUAGOBSA-N 294.351 1.281 0 50 CDAA C[C@@H]1OCC[C@@H]1[S@](=O)Cc1ncnn1C(C)(C)C 328841209 ZKEGYKTTZWFLLC-LXIMFEHMSA-N 271.386 1.459 0 50 CDAA CN1CCC(CCO)(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 354141412 DHWWBGWFGBGQPK-KKUMJFAQSA-N 294.439 1.776 0 50 CDAA O=C(c1ncn[nH]1)N1CCCC[C@H]1CCn1cccn1 216354606 FONYGGRKSTYMQE-NSHDSACASA-N 274.328 1.086 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cccc(-n2cncn2)c1 122217937 XZKPBWZSBCLWKJ-IUODEOHRSA-N 299.378 1.609 0 50 CDAA CC(C)Oc1ccc(C(=O)N2CCOC[C@@H]2C)nc1 435609807 CFSDFVDMGIFKKN-NSHDSACASA-N 264.325 1.730 0 50 CDAA CN(Cc1nc(-c2ccncc2)no1)C[C@@H]1CCOC1 77537052 VLGUTRWIKWUCGO-NSHDSACASA-N 274.324 1.600 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1C[C@@H](C)N[C@H](C)C1 153822066 PCHVVQCTHYHRHQ-BBBLOLIVSA-N 265.357 1.604 0 50 CDAA CN1CCN(C(=O)CSc2ccccc2)CC1 31850676 MKPXGYCPZNJUMR-UHFFFAOYSA-N 250.367 1.553 0 50 CDAA Cc1cc([C@@H]2CCCN2C(=O)NCc2noc(C)n2)on1 331441199 VNEVQIWMKMWFQX-JTQLQIEISA-N 291.311 1.721 0 50 CDAA CCOC1CC(C(=O)N2CCO[C@@H](c3noc(C)n3)C2)C1 367738041 RATOOPKLFWNNFX-HTAVTVPLSA-N 295.339 1.093 0 50 CDAA COc1cc(OC)c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1F 262170681 QOOWQFYTVSZLNX-RQJHMYQMSA-N 283.255 1.502 0 50 CDAA COC(=O)[C@H]1CCCN(C(=O)NC[C@@H]2CC=CCC2)C1 157863150 MMQPLULLCAURAK-OLZOCXBDSA-N 280.368 1.937 0 50 CDAA O=C(Nc1ccn2ccnc2c1)[C@@H]1C[C@H]2CC[C@@H]1O2 333813996 HKPDQSSLXUELMS-UTUOFQBUSA-N 257.293 1.840 0 50 CDAA C[C@H]1[C@@H](c2ccccc2)OCN1CN1C(=O)CCC1=O 71772874 ZRWHGPSWWJXUMK-NHYWBVRUSA-N 274.320 1.512 0 50 CDAA COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1Cl 72446831 WMIFKWQTKQYMRG-UHFFFAOYSA-N 296.754 1.686 0 50 CDAA Cc1cc(N2CCN(c3cncc4ncnn34)CC2)ccn1 281525483 QSFQECIBRNAADE-UHFFFAOYSA-N 295.350 1.154 0 50 CDAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccn1C 241446912 NPONFLPDJOCCJQ-BZPMIXESSA-N 290.363 1.971 0 50 CDAA Cn1cnc2cc(NC(=O)C[C@H]3CCCC(=O)N3)ccc21 289098635 DEYKEANLAIZHCF-SNVBAGLBSA-N 286.335 1.571 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)/C=C(\C)C2CC2)C1 284626288 PXAAEFGLRXXLFU-RXFWDACYSA-N 290.367 1.758 0 50 CDAA CCOC(=O)c1c(C)c(CCC(=O)O)n(C)c1C 49455114 HXERXSNWWKOXBL-UHFFFAOYSA-N 253.298 1.836 0 50 CDAA CN1C[C@H](NC(=O)CC(C)(C)c2ccccc2)C[C@H]1CO 426503524 OFNIVMPOBKUQKQ-CABCVRRESA-N 290.407 1.536 0 50 CDAA CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 223345716 MFMLDQSVPRINJE-CHWSQXEVSA-N 293.319 1.447 0 50 CDAA CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CCNC(=O)C1 497121905 AMKIWHYUSGLRSE-LBPRGKRZSA-N 299.415 1.215 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C=C2CCC(C)(C)CC2)C1 286116826 LZAIAKUEIQGNOR-STQMWFEESA-N 294.395 1.614 0 50 CDAA Cc1nc(C)n(CCCNC(=O)C(C)(C)N2CCCC2)n1 426739124 WPXCYNAJOGBHBT-UHFFFAOYSA-N 293.415 1.276 0 50 CDAA N[C@@H]1CN(Cc2[nH]c3ccccc3c2Cl)C[C@H]1O 426734283 KFWYWLRCKIHHSR-BXKDBHETSA-N 265.744 1.325 0 50 CDAA CC[C@@H](NC(=O)CN1CCOC1=O)c1ccncc1 220497411 MXPUELJPKCUAFK-LLVKDONJSA-N 263.297 1.101 0 50 CDAA Cn1cccc1CCNC(=O)c1cc(C2CC2)[nH]n1 426535871 MDDVWUBYPKKOII-UHFFFAOYSA-N 258.325 1.598 0 50 CDAA Cc1ccnc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 239308873 HBEIILKUOANDOF-YRRQLQLVSA-N 254.289 1.702 0 50 CDAA O=C1c2ccccc2-c2c1[n+](=O)c1c(n2O)CCCC1 334157347 MCSSZKRUGHTRPA-UHFFFAOYSA-N 269.280 1.730 0 50 CDAA C[C@H]1[C@H]2C[C@@H]([C@H](S(=O)(=O)NC(C)(C)C)C2=O)C1(C)C 230135282 VZDNKECTTRBKMX-WYFGTUCQSA-N 287.425 1.954 0 50 CDAA Cc1cc(CNC(=O)C2(C)CCN(C)CC2)n(C)n1 97402519 NOTNHKCLRVQGGC-UHFFFAOYSA-N 264.373 1.077 0 50 CDAA COC(=O)c1cnn2ccc(Br)cc12 95742598 NPERCFZLNYLNAO-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA Cc1cccc(Cc2nc3c([nH]2)CCCNC3=O)c1 95369034 LHWOPTBTYAMOFS-UHFFFAOYSA-N 255.321 1.985 0 50 CDAA Cc1nnnn1CC(=O)N1CCC[C@@](C)(c2ccccc2)C1 91830889 DPTNYRSRWZMZGX-MRXNPFEDSA-N 299.378 1.562 0 50 CDAA CC[C@@H](C(=O)NC1CCCC1)N(C)Cc1nc(C)c[nH]1 244858631 VOYVVEZGUDXAEY-ZDUSSCGKSA-N 278.400 1.987 0 50 CDAA O=C(N[C@H]1CC[C@H](O)CC1)c1cnc2c(c1)CCCC2 244794960 QXCORXHSGSMBAE-HDJSIYSDSA-N 274.364 1.994 0 50 CDAA Cc1cc(N2CCOC[C@@H](O)C2)nc(-c2ccccn2)n1 296398667 VQFLFWGMAUZGHC-LBPRGKRZSA-N 286.335 1.045 0 50 CDAA Cc1ccc(C)n1CCC(=O)NCc1nnc2ccccn12 253410601 NMGKBMXZSFMGGJ-UHFFFAOYSA-N 297.362 1.854 0 50 CDAA Cc1ccc2nc(CN3CCN(c4nc[nH]n4)CC3)cn2c1 252500084 SMYWPBHIRMICTJ-UHFFFAOYSA-N 297.366 1.083 0 50 CDAA Cc1cc(C(=O)NCc2ncc[nH]2)c(C)n1[C@@H]1CCOC1 625489933 SRAOSCRQDSGBAX-GFCCVEGCSA-N 288.351 1.719 0 50 CDAA CC[C@H](NC(=O)CCC(=O)O)c1ccc(C)cn1 534666155 KOHKOUHYGIQEJK-JTQLQIEISA-N 250.298 1.822 0 50 CDAA Cc1nc(SCC(=O)NCc2nccn2C(C)C)n[nH]1 534643812 DDTXKWUMFBQNJV-UHFFFAOYSA-N 294.384 1.299 0 50 CDAA Cc1nonc1CN1CCN(c2nc3ccccc3o2)CC1 265132196 NHUFWSJDTGHQGN-UHFFFAOYSA-N 299.334 1.841 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)CCN1CCCC1=O 299778313 GJCQBXWDJCFPFU-UHFFFAOYSA-N 278.400 1.513 0 50 CDAA CC[C@@H](NC(=O)c1sccc1N)c1ncnn1CC 299775775 KHBHLKMJWHECIP-SECBINFHSA-N 279.369 1.823 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)c1nonc1C 299757133 ICOIJUDBNDKBTB-SECBINFHSA-N 260.297 1.442 0 50 CDAA CSCCCN1CC[C@H]2OCc3cnnn3[C@H]2C1 299774203 CCRDQTYWWRTDQZ-NWDGAFQWSA-N 268.386 1.177 0 50 CDAA Cc1nnc(CN2CCC[C@@H](c3cc(O)ncn3)C2)s1 299787736 XMTPUTAJCKCLHT-SNVBAGLBSA-N 291.380 1.722 0 50 CDAA Cc1nonc1CN(C)C[C@@H]1CCN(C)C1(C)C 823719847 PPURGDJODSLFBK-NSHDSACASA-N 252.362 1.540 0 50 CDAA Cc1c[nH]c(C(=O)NC2(C(N)=O)CCCCCC2)n1 584885978 AUJRCVPZFWOPHF-UHFFFAOYSA-N 264.329 1.026 0 50 CDAA CCc1nnc(CN(C)C(=O)C[C@H]2CCOC2)o1 584898363 QJBAWUSFKSBSOF-SECBINFHSA-N 253.302 1.017 0 50 CDAA NC(=O)C1(NC(=O)c2ccc(O)cn2)CCCCCC1 584894723 HBBMTQYYTFPTJH-UHFFFAOYSA-N 277.324 1.095 0 50 CDAA COc1ccc2nc(CNC(=O)C[C@@H]3CCOC3)[nH]c2c1 584887640 IQALHCAVXDTMBO-JTQLQIEISA-N 289.335 1.614 0 50 CDAA CCc1nccn1CCCn1cnc2nccnc2c1=O 584893929 ATOZIVNCQLCWKP-UHFFFAOYSA-N 284.323 1.036 0 50 CDAA COc1c[nH]c(C(=O)N[C@H](C)c2c(C)n[nH]c2C)cc1=O 584885110 JULJKKBSJGMPIO-SSDOTTSWSA-N 290.323 1.214 0 50 CDAA CCc1nn(C)c2c(=O)n([C@H](CC)COC)cnc12 584902689 UPGTZEIXRLNGCG-SECBINFHSA-N 264.329 1.290 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cnn[nH]2)c(C)s1 584892043 XUGACJOQBTZYTR-YFKPBYRVSA-N 251.315 1.369 0 50 CDAA O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1Cc2cc(F)c(F)cc2C1 1550722959 RUZMRUDNVZRSQR-IHRRRGAJSA-N 294.301 1.326 0 50 CDAA CCCn1cc(C(=O)NCc2nnc3ccccn23)c(C)n1 952990789 IKTVFVINGXIDLB-UHFFFAOYSA-N 298.350 1.574 0 50 CDAA C[C@H](Cn1cccn1)C(=O)N(CCO)Cc1ccco1 952967407 LJCSVZWZBWQKKL-GFCCVEGCSA-N 277.324 1.133 0 50 CDAA CCOC1CCN(C(=O)[C@@H](CC)N(C)CC)CC1 952990599 ZPPOPWSRDUVVQG-CYBMUJFWSA-N 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1.437 0 50 CDAA COC(=O)CC(C)(C)NC(=O)c1cc(C)sn1 585079498 NBSRAKBCTRBJFB-UHFFFAOYSA-N 256.327 1.523 0 50 CDAA CC(C)c1nc(Cn2c(=O)ccc3[nH]ccc32)no1 585122995 OKISSELXULIHSW-UHFFFAOYSA-N 258.281 1.884 0 50 CDAA Cc1ccnc(COC(=O)[C@@H]2CCCc3n[nH]cc32)n1 756203770 FQXTVBMQUJKHLZ-SNVBAGLBSA-N 272.308 1.671 0 50 CDAA CN(Cc1ccn[nH]1)CC(C)(C)CN1CCOCC1 93769748 BCFMAXGKZMNGHG-UHFFFAOYSA-N 266.389 1.200 0 50 CDAA O=C(Nc1ccc(Cl)cc1)N1CCOC[C@H](O)C1 95498059 RQVHVKOQMYJUJC-LLVKDONJSA-N 270.716 1.565 0 50 CDAA C[C@H]1CCOCCN1C(=O)Cc1ccc2n[nH]cc2c1 793773190 OZZURSWPPKDSOW-NSHDSACASA-N 273.336 1.743 0 50 CDAA OCCN1CCN(Cc2ccc(F)c(F)c2)CC1 19882167 DQLSFUSWLGQZGP-UHFFFAOYSA-N 256.296 1.075 0 50 CDAA O=C(NCCn1cnnc1C1CC1)c1ncccc1F 1615557124 DIORNPHDQWXOJK-UHFFFAOYSA-N 275.287 1.120 0 50 CDAA CC(C)CN1C[C@H](C(=O)Nc2ccsn2)CC1=O 1616040659 SFPDBHONDNRQAZ-SECBINFHSA-N 267.354 1.586 0 50 CDAA Cc1cccn2cc(CNC(=O)c3cnc(O)[nH]3)nc12 1189553070 TVUANZWRQCPNCP-UHFFFAOYSA-N 271.280 1.001 0 50 CDAA C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNC[C@@H](C)O 1775987146 DHXXZAUOOYWPBI-TUAOUCFPSA-N 272.389 1.602 0 50 CDAA CSCc1ccc(C(=O)NCc2n[nH]c(C)n2)o1 215616378 UESVOSYQYDGPJO-UHFFFAOYSA-N 266.326 1.499 0 50 CDAA C[C@@]1(C(=O)N2CCC(n3cnnc3)CC2)CCCCO1 1857688532 ONRFHDJNSZCGRR-AWEZNQCLSA-N 278.356 1.401 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)C3CCCCC3)C[C@H]2O)n[nH]1 1529161431 JBASYRXOSMLKQY-UKRRQHHQSA-N 291.395 1.660 0 50 CDAA CCn1ncc(NC(=O)C[C@@H](C)NC(C)=O)c1C 1529124940 AXEHGFNJDVMKEA-MRVPVSSYSA-N 252.318 1.065 0 50 CDAA CCCc1cnc(C)nc1NC[C@@H](O)COCC 1529161250 FIKRQTYDEOFZMS-GFCCVEGCSA-N 253.346 1.547 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCOC[C@H]2N)CC1 110915137 XCRIGCDOLJKCQI-LLVKDONJSA-N 270.373 1.751 0 50 CDAA Cc1cnccc1CNC(=O)[C@@H](N)Cc1ccccc1 228688425 RCZDTOAZLGTRDV-HNNXBMFYSA-N 269.348 1.576 0 50 CDAA CC(=O)Nc1ccc(N[C@@H]2SC(=O)NC2=O)cc1 1204091 OXTBWAFXFMAKCP-SNVBAGLBSA-N 265.294 1.366 0 50 CDAA COC(=O)c1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)o1 12585247 DLCVRBKLVKDPFR-QWRGUYRKSA-N 291.303 1.741 0 50 CDAA Cc1cc(C)n2ncc(-c3nccn3-c3cnn(C)c3)c2n1 1857703272 PBSUEGLXQPEJJF-UHFFFAOYSA-N 293.334 1.932 0 50 CDAA N=c1cc(-c2nccn2C2CCS(=O)(=O)CC2)cc[nH]1 1857720494 WRWPFBPCEYBOKZ-UHFFFAOYSA-N 292.364 1.107 0 50 CDAA N=c1cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)nc[nH]1 1875250315 OISSJJJFQSMNPH-NSHDSACASA-N 254.293 1.160 0 50 CDAA CSCC[C@@H](NC[C@@H](O)COc1ccccc1)C(=O)O 606654932 UFJICEQGDWXOCZ-DGCLKSJQSA-N 299.392 1.222 0 50 CDAA O=C(O)[C@H]1CN(C(=O)[C@H]2CCOC2)c2ccccc21 133877060 PJKYBXWICWPTCC-ONGXEEELSA-N 261.277 1.238 0 50 CDAA O=C(c1noc2c1CCCC2)N1CC([C@@H]2CCOC2)C1 684347559 UJNGMDVFDAHTRM-SNVBAGLBSA-N 276.336 1.662 0 50 CDAA CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[C@@H](CO)CC2)CC1=O 584908245 VEEBPZXRWICQDP-RWMBFGLXSA-N 296.411 1.301 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@](C)(O)[C@H](C)O 585121274 KRBDMJQTBBTXRL-XHDPSFHLSA-N 296.367 1.009 0 50 CDAA COc1cc(C(=O)NC2(C(=O)O)CCC2)cc(OC)c1C 164817991 VYGAXEPYHFOOJM-UHFFFAOYSA-N 293.319 1.749 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C(=O)C=C1CCCCC1 818383223 NOAMDIMVGIWGJD-HNNXBMFYSA-N 280.368 1.370 0 50 CDAA CNc1ccccc1CN1CCO[C@@]2(CCOC2)C1 952876925 IMYMWJCBFPEWIM-HNNXBMFYSA-N 262.353 1.720 0 50 CDAA Cc1c[nH]cc1C(=O)N(C)C[C@H]1OCC[C@H]1c1nc[nH]n1 952888833 OFNBLDPOBMMEDH-ZYHUDNBSSA-N 289.339 1.086 0 50 CDAA CO[C@@H](C(=O)N1CC[C@H](c2ncon2)C1)c1ccccc1 952994808 UYQDHLKQRJLQMN-QWHCGFSZSA-N 287.319 1.773 0 50 CDAA Nc1ncccc1CNC(=O)Nc1cnc2c(c1)CCC2 1875277389 JQWKNJICICAFTF-UHFFFAOYSA-N 283.335 1.869 0 50 CDAA COC(=O)/C=C/CNC(=O)CCOc1ccc(F)cc1 1875311527 DCXFMUZJPJQGNW-NSCUHMNNSA-N 281.283 1.440 0 50 CDAA COCC1(C(=O)NC/C=C/C(=O)OC)CCCC1 1875333424 UBNAWMKWDYHMMX-AATRIKPKSA-N 255.314 1.039 0 50 CDAA C[C@]1(CSc2ncccn2)CN(CC(F)(F)F)C1=O 1875368014 IWPFBDYRCAAKLU-SNVBAGLBSA-N 291.298 1.980 0 50 CDAA C[C@](O)(CNc1cc(O)nnc1Cl)[C@@H]1CCCOC1 1875306521 JBVSRSPFCWTLPA-PELKAZGASA-N 287.747 1.425 0 50 CDAA Cc1cc(=NC[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cc[nH]1 886031082 KLYBOCLUQWTEIU-YOEHRIQHSA-N 296.374 1.838 0 50 CDAA C[C@H](O)CN1CCN(CC2(O)CCCCC2)C[C@H]1C 248287963 HFLFXXDKFZNQQM-KGLIPLIRSA-N 270.417 1.069 0 50 CDAA C[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCCNC3)n2)C1 275403838 BHQRZLIUIDGXCK-VXGBXAGGSA-N 262.357 1.290 0 50 CDAA CCc1nccn1CCCN[C@@H]1CCCN(CC)C1 65461407 TTXJGRNDBFSAAU-CQSZACIVSA-N 264.417 1.910 0 50 CDAA Cc1nccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)n1 396420706 BYCIOJQXGVYREG-LLVKDONJSA-N 277.324 1.645 0 50 CDAA CCOC(=O)CSc1nc2ccccc2n2cnnc12 1060722 ALESBIISZUYLNK-UHFFFAOYSA-N 288.332 1.933 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]2NCC(F)(F)[C@H]2C1 616568946 JDVNFFNXDUWBPN-DTWKUNHWSA-N 262.300 1.851 0 50 CDAA O=C(O)[C@]1(n2ncc(C3CC3)n2)CCCOCC1 2325789525 VYLPUAYCZFPKKF-LBPRGKRZSA-N 251.286 1.136 0 50 CDAA CC(C(=O)N[C@@H]1CCC[C@@H]1c1nn[nH]n1)=C1CCC1 2325808740 HMYJYYHPKQQCMU-WDEREUQCSA-N 261.329 1.452 0 50 CDAA Cc1nc(CC(=O)N2C[C@@H](C)O[C@@H](C(=O)O)C2)c(C)s1 909896443 SWZMZWDHPXYHJY-RDDDGLTNSA-N 298.364 1.003 0 50 CDAA COc1ccc(CO)cc1I 470027 KZPCWHSKIBZFFS-UHFFFAOYSA-N 264.062 1.792 0 50 CDAA COCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1 1710115 FCXNJMQYOGWZFF-UHFFFAOYSA-N 286.353 1.019 0 50 CDAA O[C@@H]1CN(CC2COCCOC2)CC[C@@H]1c1ccccc1 2356146852 XQRZCEOTALBEDX-IAGOWNOFSA-N 291.391 1.500 0 50 CDAA O=C(NC[C@@H](O)c1cccc(O)n1)c1ccc2cc[nH]c2n1 2356158335 YHVOPQJOAODWBT-GFCCVEGCSA-N 298.302 1.127 0 50 CDAA CSCC[C@@H](C(=O)O)N1Cc2ccccc2C1=O 2219991 IQXRWPVUENIJCR-NSHDSACASA-N 265.334 1.849 0 50 CDAA biogenic COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccccc1 318319 KKKWVCLVKMYSIM-GFCCVEGCSA-N 285.365 1.553 0 50 CDAA COc1ccccc1CC(=O)N1CCC(CC(=O)O)CC1 110302276 HTYITWQJTXYOQA-UHFFFAOYSA-N 291.347 1.951 0 50 CDAA OCCN1CCC(CCCC2CCNCC2)CC1 394422 KTRJPKYFFZFQJB-UHFFFAOYSA-N 254.418 1.861 0 50 CDAA in-vitro NC(=O)c1cccc(NC(=O)[C@@H]2COc3ccccc3O2)c1 9314914 YUTYTZSRMGXAHL-AWEZNQCLSA-N 298.298 1.564 0 50 CDAA Cc1nnc(S)n1CCNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 225389887 DBPBHWKDRUXAFE-DCAQKATOSA-N 280.397 1.428 0 50 CDAA O=C(CSc1ncccn1)N[C@H]1C[C@H]2CC[C@H]1C2 101323272 SXPIXKRRTYJLSJ-DCAQKATOSA-N 263.366 1.874 0 50 CDAA CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3N2)C1 132902274 DHPHOPZOMRJUMO-UKRRQHHQSA-N 287.363 1.150 0 50 CDAA CCOC(=O)CN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 100506176 YLHGTTRHKJKCOG-DTWKUNHWSA-N 271.700 1.067 0 50 CDAA CCN1CCC[C@H](c2nccn2CCN(C)C)C1 67855425 VQDWRQCBVZKFRR-ZDUSSCGKSA-N 250.390 1.644 0 50 CDAA CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccccc2)C1 246946899 KHBKFZCSRPVMAS-GXTWGEPZSA-N 282.409 1.694 0 50 CDAA CC(C)c1csc(CN2CCN(C)[C@@H](CCO)C2)n1 23359426 MKIDTHJWUUTPBL-LBPRGKRZSA-N 283.441 1.765 0 50 CDAA CCc1cn[nH]c1C1CCN(c2cc(N)ncn2)CC1 67856733 OZKIGHIRGICFLR-UHFFFAOYSA-N 272.356 1.728 0 50 CDAA COCc1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)o1 67921503 AFXYILKFSWINPI-NWDGAFQWSA-N 278.352 1.735 0 50 CDAA CN(Cc1ccnn1C)C(=O)[C@@H]1CCCc2cccnc21 349288852 XHFSPBGQSDPDHJ-CQSZACIVSA-N 284.363 1.894 0 50 CDAA Cc1[nH]ccc1C(=O)NCc1ccc(C(=O)N(C)C)cc1 175223627 MYHTXUWBNOQWMB-UHFFFAOYSA-N 285.347 1.955 0 50 CDAA CCc1nc(C)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)o1 65493294 SJGGQDAUYDKVLR-GXTWGEPZSA-N 286.331 1.934 0 50 CDAA Cc1cc(CN(C)C(=O)CC[C@@H]2CCCCN2C)n[nH]1 65434313 LGVYLRIWASXJSP-AWEZNQCLSA-N 278.400 1.941 0 50 CDAA O=C(Nc1nncs1)N[C@@H]1CCN2CCCC[C@@H]12 229412590 JMYMKPKCLIALNZ-BDAKNGLRSA-N 267.358 1.286 0 50 CDAA CN(CCc1cn[nH]c1)C(=O)CC[C@@H]1CCCCN1C 65410255 PHBWJLAXMUGNFB-AWEZNQCLSA-N 278.400 1.675 0 50 CDAA Cc1cc(NC(=O)c2nn(C)c(C)c2Cl)no1 1019111 JXDQSIDZXRKOMG-UHFFFAOYSA-N 254.677 1.931 0 50 CDAA O=C1CN(c2ccccc2)C(=O)[C@H]1C(=O)NCc1ccco1 1065159 FLZGPZYTGGUYTO-CQSZACIVSA-N 298.298 1.128 0 50 CDAA C[C@@H](Oc1cccc(F)c1)c1ccnc2nc(N)nn12 1401841 AQDXKHKHMZZAGL-MRVPVSSYSA-N 273.271 1.986 0 50 CDAA C[C@@H]1OCC[C@@H]1NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 252486738 MPSXSWRTXIHNIJ-QEWYBTABSA-N 288.391 1.973 0 50 CDAA COc1ccc(F)c(CN2CCC[C@]3(CCNC3)C2=O)c1 72147455 IDIIVWOQGDMOIK-MRXNPFEDSA-N 292.354 1.936 0 50 CDAA CCC1(CC)[C@H](NC(=O)N2CC[C@](C)(O)C2)C[C@H]1OC 253190063 RCHIAALHFCSRBI-BZPMIXESSA-N 284.400 1.746 0 50 CDAA CCn1nccc1CN(Cc1cccnc1)C[C@@H]1CCNC1 328621762 ATHFXNQZGNZATO-MRXNPFEDSA-N 299.422 1.910 0 50 CDAA CN(CC1CC1)C[C@H]1CN(c2ncc(Cl)cn2)CCO1 328632207 LDPRODWZIWOPLI-ZDUSSCGKSA-N 296.802 1.677 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(Cc2ccc(CO)o2)CCO1 328656204 ZCRMKMQAPNZGMS-MRXNPFEDSA-N 294.395 1.315 0 50 CDAA Cc1cc(C)nc(NC(=O)N[C@H]2CCCCNC2)c1 334871153 MAGSDIUEYLHUCZ-LBPRGKRZSA-N 262.357 1.962 0 50 CDAA COc1cnc(N(C)C(=O)CCOC2CCOCC2)nc1 330456347 NVSSGHCDGFWXNR-UHFFFAOYSA-N 295.339 1.034 0 50 CDAA Cn1cnc2cc(C(=O)N3CCC[C@H](C(=O)O)C3)ccc21 215716749 TUANMUMOJQSAMC-NSHDSACASA-N 287.319 1.510 0 50 CDAA C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](Nc2ccccc2)C1 155000057 FHODOMIFICWBMN-AAEUAGOBSA-N 290.367 1.146 0 50 CDAA Cc1cc([C@@H](C)NCC2(C(N)=O)CCOCC2)c(C)o1 365200630 WJXBMKRMJUQXNH-LLVKDONJSA-N 280.368 1.829 0 50 CDAA Cc1ccn(-c2ccc(N3CC[C@]4(CCN(C)C4)C3)nn2)n1 366280377 BDPSYJZBOPBUJU-INIZCTEOSA-N 298.394 1.503 0 50 CDAA CC[C@@H]1CN(C[C@H]2CCC=CO2)C[C@@]2(CCOC2)O1 370210041 MZDBLLRGRBFFPK-RBSFLKMASA-N 267.369 1.949 0 50 CDAA CCC[C@H](NCC(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)O 218058853 BBVMISRNKBQCNP-UTUOFQBUSA-N 270.373 1.334 0 50 CDAA CC1(C)C[C@@](C)([C@@H]2C(=O)CC(C)(C)C2=O)OC1=O 71771595 DSZHHEDTXMYGMM-OTYXRUKQSA-N 252.310 1.903 0 50 CDAA Cc1c(-c2nn3c(C(F)(F)F)nnc3s2)cnn1C 61719497 FDWNLSBCFVFAJF-UHFFFAOYSA-N 288.258 1.914 0 50 CDAA Cc1nc(CN2CCC(N3CCC[C@H](O)C3)CC2)co1 72475200 AJHBBYWHTMUWAV-HNNXBMFYSA-N 279.384 1.404 0 50 CDAA Cc1nc(NC(=O)COc2ccccc2F)n(C)n1 183730593 BEEJXJHWTQTVGP-UHFFFAOYSA-N 264.260 1.280 0 50 CDAA CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cn[nH]c1 448690860 OXBKWFXAUKEALA-NSHDSACASA-N 280.372 1.925 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)C2)nn1-c1ccccc1 237708318 LLFQFPKPVNOTOL-LBPRGKRZSA-N 299.330 1.727 0 50 CDAA C[C@H]1CC2(CCC2)CN1C(=O)[C@@H]1CCN(C)C(=O)C1 334492933 OTVNJFDMKBBORE-NWDGAFQWSA-N 264.369 1.646 0 50 CDAA CC(=O)Nc1ccn([C@H]2CCN(C[C@@H](O)C(C)C)C2)n1 241837494 SKOGHYBTNUHTDD-QWHCGFSZSA-N 280.372 1.105 0 50 CDAA COC(=O)[C@H](N)Cc1ccc(Br)cc1 48523812 YQWYXOBDKUWXCE-SECBINFHSA-N 258.115 1.492 0 50 CDAA O=C(Cn1cnc(-c2ccccc2)c1)NC(=O)NC1CC1 1365261424 OQNBSKOZYAAXTC-UHFFFAOYSA-N 284.319 1.538 0 50 CDAA CCOc1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)cc1F 284503911 DJSYUBIZRQEITD-YGRLFVJLSA-N 296.342 1.299 0 50 CDAA Cc1cccc(=O)n1CCCNC(=O)c1ccncc1F 221196879 NPTSUFDYCRPHMP-UHFFFAOYSA-N 289.310 1.511 0 50 CDAA COc1ccccc1[C@H](C)N(C)C(=O)NCCC(=O)O 426739826 RUVNUOLQUKPMRD-JTQLQIEISA-N 280.324 1.872 0 50 CDAA Cc1cnccc1CNC(=O)[C@@H](C)N1CCCCC1 426487565 SJJSDTDCOPHZJK-CYBMUJFWSA-N 261.369 1.881 0 50 CDAA Cc1noc([C@@H](c2cccnc2)N2CCOCC2)n1 95375630 ZXTPIGDALJGNEM-GFCCVEGCSA-N 260.297 1.195 0 50 CDAA Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)n1 239403301 RSOCNUKPESVLTB-KPRRGPHJSA-N 280.327 1.948 0 50 CDAA Nc1cncc(-c2cc(C(=O)N3CCCC3)ccn2)c1 97744783 XZSGIGSIUSXFMO-UHFFFAOYSA-N 268.320 1.962 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CC[C@H](C(=O)O)C1 178260648 LRMHQDRYYAGAJD-NSHDSACASA-N 279.340 1.330 0 50 CDAA CO[C@H]1CCCOC12CCN(c1nccc(C)n1)CC2 95363303 MTVBWUZVISWWEI-ZDUSSCGKSA-N 277.368 1.949 0 50 CDAA CC(C)Nc1ncc(C(=O)N(C)CC2(CO)CC2)cn1 97475552 NAYZECVIZIDXNM-UHFFFAOYSA-N 278.356 1.141 0 50 CDAA Cn1cnc(NC(=O)[C@H]2CCc3cc(F)ccc32)n1 615235557 GSJGZQSHOZTSHA-NSHDSACASA-N 260.272 1.623 0 50 CDAA c1ccc(CN2CCN(C3CCNCC3)CC2)cc1 96905018 VJPZYEOANUCDTC-UHFFFAOYSA-N 259.397 1.556 0 50 CDAA COc1c[nH]c(C(=O)Nc2ccc(Cl)cn2)cc1=O 524735455 CYTCQEQHDDVYBV-UHFFFAOYSA-N 279.683 1.684 0 50 CDAA CC1(C)OC(=O)C([C@@H]2[C@@H]3[C@@H]4C[C@@H]5[C@@H]6[C@H]4C[C@H]3[C@H]6[C@@H]52)C(=O)O1 245227272 JHFQCKGGHXOIDZ-KDIHQZMCSA-N 288.343 1.833 0 50 CDAA CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)O)C2=O)cc1 252494810 OFMNQVBPDRAWMN-LLVKDONJSA-N 276.292 1.710 0 50 CDAA O=C(O)CCCCNC(=O)[C@@H]1CSc2ccccc2O1 299741135 CYXAYUHTBBDXCW-NSHDSACASA-N 295.360 1.911 0 50 CDAA COc1ccc(CNC(=O)c2ccc3nnc(O)n3c2)cc1 342856502 ZBDGIMDAHZYNPU-UHFFFAOYSA-N 298.302 1.374 0 50 CDAA N#Cc1ccc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1 299739037 JSCXZYZVZHDFRA-CYBMUJFWSA-N 296.334 1.090 0 50 CDAA C[C@H](COc1ccc(F)cc1F)NC(=O)[C@H]1C[C@@H]1C(=O)O 299753041 WPIGKGKVEQEVEO-JEZHCXPESA-N 299.273 1.569 0 50 CDAA C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@@H](C)N1 299738888 HXVBONAICSKUNA-NXEZZACHSA-N 260.341 1.176 0 50 CDAA CN(C)CC(C)(C)NC(=O)COC[C@@H]1CCCCO1 534639233 RCDYUCMLEYDAJN-LBPRGKRZSA-N 272.389 1.029 0 50 CDAA CCN(CC)CC1(NC(=O)Cc2ccncc2)CC1 534651047 ZYFRYJSZVUFPBO-UHFFFAOYSA-N 261.369 1.615 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2ccc(Cl)o2)C1 823820868 CBADEUFNYOHQAS-SECBINFHSA-N 256.733 1.891 0 50 CDAA CC1(C(=O)NCCN2CCC[C@H](CO)C2)CCCCC1 584884289 SFFXMEHGQMACRN-AWEZNQCLSA-N 282.428 1.777 0 50 CDAA C[C@@H]1CCN[C@H](C)[C@H]1NC(=O)C[C@@H](O)c1cccc(F)c1 585136911 YLIFJFXVUZISMR-JDOCFBBISA-N 294.370 1.752 0 50 CDAA O=C(O)c1cc(C(F)(F)F)n(-c2ccccn2)n1 675068148 NANAWAASHDFWSU-UHFFFAOYSA-N 257.171 1.984 0 50 CDAA c1cc(-c2n[nH]c(CN[C@@H]3CCCOC3)n2)ccn1 584896936 LNDRJMFVQQAUDR-LLVKDONJSA-N 259.313 1.135 0 50 CDAA CC(C)CC(C)(C)NC(=O)[C@@H]1CSC(C)(C)C(=O)N1 670442276 PBRDYKBWBCLOTQ-JTQLQIEISA-N 286.441 1.938 0 50 CDAA CCCOC[C@@H]1CCN(c2nccc(OC)n2)C1 670443420 YCCZZQVHPFTUQV-LLVKDONJSA-N 251.330 1.738 0 50 CDAA O=C(CC1CC1)NC1(c2ncccn2)CCOCC1 1336576565 JGTOADOGNJWFLH-UHFFFAOYSA-N 261.325 1.399 0 50 CDAA Cc1noc(C[C@H]2CCCN(C(=O)NC3CC3)C2)n1 1352137078 ZXBGVEIKSQFTGY-SNVBAGLBSA-N 264.329 1.505 0 50 CDAA O=C(NCC[C@@H](O)C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 241171055 KDWLQUYJOSXOMJ-AATLWQCWSA-N 265.275 1.852 0 50 CDAA CCOC(=O)C1=C(O)CN(C(=O)OC(C)(C)C)CCO1 953018967 RKKPJLXYRDPJLQ-UHFFFAOYSA-N 287.312 1.586 0 50 CDAA in-vitro CO[C@@H]1[C@@H](F)CC[C@H](C(=O)O)N1C(=O)OC(C)(C)C 1531865406 KFICXBXJXVWQMT-DJLDLDEBSA-N 277.292 1.781 0 50 CDAA Cc1nc(CN(C)C(=O)c2nccn2C)cs1 952972465 FNSRKUXBALGDMV-UHFFFAOYSA-N 250.327 1.457 0 50 CDAA N[C@@H]1C[C@@H]2C[C@@H](c3nc(Cc4cnccn4)no3)C[C@@H]21 1553316609 DGKJFOBLTPNBTQ-BSJXLVFVSA-N 271.324 1.291 0 50 CDAA C/C=C/CN1CCC[C@H](CNC(=O)c2cc(C)n(C)n2)C1 952960031 XDLACMYRCQYPRI-ISZGNANSSA-N 290.411 1.746 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)([C@H](N)C2CCCC2)C1 958528673 RZRCQHNRFHZMKY-LLVKDONJSA-N 270.373 1.486 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2ccc(CO)o2)C[C@@H]1C(=O)O 1565509144 ANLRULFLXDQEON-MNOVXSKESA-N 281.308 1.201 0 50 CDAA O=C(O)[C@@H]1CC[C@@H]1S(=O)(=O)NC[C@H]1CC=CCC1 1465117049 DXYICBDIHQIJNF-AXFHLTTASA-N 273.354 1.125 0 50 CDAA COC[C@@H](O)CN1CCC(n2cc(Cl)cn2)CC1 305873872 PRHNBEJCYHYTOL-LBPRGKRZSA-N 273.764 1.181 0 50 CDAA CN(CCN(C)C1CC1)C(=O)C1(Br)CC1 408522183 FEPSVBKPKXBLSU-UHFFFAOYSA-N 275.190 1.467 0 50 CDAA C[C@@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)Cc1cccnc1 408504193 XSTDZGOOCFUXDQ-YPMHNXCESA-N 296.392 1.854 0 50 CDAA CCN1CCN(CCOc2ccc(C)cc2)C(=O)C1=O 40456329 PNHRNBFSBCAJRM-UHFFFAOYSA-N 276.336 1.065 0 50 CDAA O[C@@H](CNC[C@@H]1CCC(F)(F)C1)CC1(O)CCOCC1 634713706 ZYKQIQLUAVIUOC-VXGBXAGGSA-N 293.354 1.304 0 50 CDAA COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(F)c(C)c1 188781502 QRESKCTYKULCBG-ZIAGYGMSSA-N 281.327 1.632 0 50 CDAA CCc1nnc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)n1C 643857963 MPUITABROYETQB-MNOVXSKESA-N 290.371 1.063 0 50 CDAA C[C@@H]1CN(C(=O)Cc2cnnn2C)[C@H]1c1ccccc1 669356304 XIGVOEQBAUCFEF-IAQYHMDHSA-N 270.336 1.577 0 50 CDAA COc1ncncc1CN[C@@H]1CCN(c2ccccc2)C1=O 647181779 RBRCZHMEETVGFY-CQSZACIVSA-N 298.346 1.380 0 50 CDAA O=C(C[C@H]1CCCOC1)N1CCOc2ccncc21 193458976 VZYPNHDIGQPAPV-LLVKDONJSA-N 262.309 1.624 0 50 CDAA CC[C@H](N=c1nc(O)c2cnn(C)c2[nH]1)[C@@H]1CCCCO1 585091318 JSZQYNQPQNXJAT-QWRGUYRKSA-N 291.355 1.250 0 50 CDAA CC(C)(C)CCCNC(=O)CSc1n[nH]c(=O)[nH]1 194308606 OSFNDKWCBBZDRT-UHFFFAOYSA-N 272.374 1.133 0 50 CDAA Cc1ncsc1C(=O)N1CCOC[C@@]12CCOC2 194423309 FSLQTRGSDFIFHR-LBPRGKRZSA-N 268.338 1.083 0 50 CDAA Cc1ccnc([C@H]2CCN(CC(=O)Nc3cnccn3)C2)c1 660736511 VZYUQJXHJUPRJD-ZDUSSCGKSA-N 297.362 1.608 0 50 CDAA C=CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 791310712 GTEZKHDBQBOILE-SNVBAGLBSA-N 251.307 1.207 0 50 CDAA CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)O)[C@@H]1C[C@@H]21 1083104363 MRYDRSPUGRYMMW-ROUNHJLISA-N 250.294 1.707 0 50 CDAA CNC(=O)CN(Cc1ccccc1)C(=O)c1ccnnc1C 1615547543 JJKLSCMSEKREHC-UHFFFAOYSA-N 298.346 1.173 0 50 CDAA CC(C)O[C@@]1(C)C[C@H]1NC(=O)c1ccc(C(=O)O)cn1 1616042067 BZYZAXUJJISBIH-RISCZKNCSA-N 278.308 1.466 0 50 CDAA Cn1ccnc1NC(=O)[C@H]1CCCN(c2ccccn2)C1 1176957693 IPMKFWLUXDWCNM-LBPRGKRZSA-N 285.351 1.670 0 50 CDAA Cc1c(NC(=O)CN2CCC[C@@H]2c2cccnc2)cnn1C 1506403152 WLISPXULVUJHAE-OAHLLOKOSA-N 299.378 1.899 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCC(=O)N2CCCC2)n1 1506429350 TZWDSAFRSGPPOG-GFCCVEGCSA-N 264.373 1.100 0 50 CDAA COCCOc1ccc(CNc2ccnc(O)c2)cn1 1857529330 RFAZQTGGAPZWFV-UHFFFAOYSA-N 275.308 1.820 0 50 CDAA COC(=O)C[C@H](C)CC(=O)N[C@@H]1CCOC(C)(C)C1 330839547 LWLMXWVWLHSADY-GHMZBOCLSA-N 271.357 1.650 0 50 CDAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCOC1)c1cccs1 238143017 FZSNJYKWCRTODF-RKDXNWHRSA-N 269.322 1.417 0 50 CDAA O=C(Nc1ccc(F)nc1F)NC1CCC(O)CC1 241173099 KGBBTMWSWVCSMB-UHFFFAOYSA-N 271.267 1.785 0 50 CDAA Cc1cc(C(=O)N[C@H]2COC3(CCCC3)C2)nc(N)n1 219825877 HZXRPVHDHLLDOW-SNVBAGLBSA-N 276.340 1.199 0 50 CDAA Cc1ncc(C)c(N2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 1704341345 SLDSGJLHONVZKU-CABCVRRESA-N 284.363 1.528 0 50 CDAA COc1ccc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc1 1704333145 WNYJKLNNQYZHJN-GASCZTMLSA-N 291.303 1.057 0 50 CDAA C[C@H]1C[C@H]1c1ccc(CNCC2(CO)COC2)o1 123032243 PEIJVGOYSIYVOW-CMPLNLGQSA-N 251.326 1.502 0 50 CDAA OC[C@@H](O)C1CCN(Cc2cccc3cnccc23)CC1 1772807906 VXSUSGXVRNQPHN-QGZVFWFLSA-N 286.375 1.800 0 50 CDAA Cc1noc(C)c1CC(=O)N1CCC[C@@H](C2(O)CC2)C1 1772813866 XHTBGKPCMHXZQO-GFCCVEGCSA-N 278.352 1.597 0 50 CDAA Cc1cc2[nH]c(CN3C[C@@H]4C[C@]4(C)C3)cc(=O)n2n1 1772814895 TVCVMCSFRBSHRK-IINYFYTJSA-N 258.325 1.173 0 50 CDAA O=C(N[C@@H]1CCS(=O)(=O)C1)Oc1ccc(Cl)cc1 5030961 FMOWUEPKUXBMMY-SECBINFHSA-N 289.740 1.616 0 50 CDAA COc1ccc(C[C@@H](C(=O)O)[C@@H](C)C(=O)O)cc1 5372362 NPRHTWLQMBOOEJ-LDYMZIIASA-N 252.266 1.659 0 50 CDAA biogenic O=C(NCc1cccnc1)c1c[nH]c2ccc(F)cc2c1=O 13731188 UCQYSVRJKPTEDB-UHFFFAOYSA-N 297.289 1.992 0 50 CDAA CC12CN3CC(C)(CN(C1)C31CCCCC1)C2O 19322919 GIQUCSUGBSUOPY-UHFFFAOYSA-N 250.386 1.665 0 50 CDAA biogenic CN1CCN(CCOCCOc2ccccc2F)CC1 19792514 QBCKGQHDDYHONB-UHFFFAOYSA-N 282.359 1.469 0 50 CDAA COc1ccccc1CC(=O)NCCCN1CCOCC1 19877140 NIOGYQHWHVNCJN-UHFFFAOYSA-N 292.379 1.076 0 50 CDAA C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 4750045 NHVPEYNDROUJJM-PWSUYJOCSA-N 277.320 1.755 0 50 CDAA CN1CCC(OC(=O)c2ccc3c(c2)OCCO3)CC1 4476141 WXQZMGSIPQGQPH-UHFFFAOYSA-N 277.320 1.709 0 50 CDAA C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N=c1ccn(CCC(=O)O)[nH]1 1857527849 HJVXBAMWIJITMF-KKOKHZNYSA-N 291.351 1.400 0 50 CDAA CCc1ccc(-c2nccn2[C@H]2CCN(C)C2=O)nc1 1857677123 XTKBIQUUKPDGHZ-ZDUSSCGKSA-N 270.336 1.911 0 50 CDAA COc1cccnc1CN1CCC[C@@]2(CC1)CNC(=O)O2 1857692118 PIVNOUQUCZMLQD-OAHLLOKOSA-N 291.351 1.555 0 50 CDAA CCC[C@H]1COC[C@H]2CN(c3ncc(OC)cn3)CCN12 1857741558 YDSUFJMAAILIOI-QWHCGFSZSA-N 292.383 1.175 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1 64741 DTFSIMUYNDCTMM-LBPRGKRZSA-N 260.293 1.830 0 50 CDAA COCC(=O)N[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 408523701 UVODAYQAGMLKGJ-LBPRGKRZSA-N 292.162 1.964 0 50 CDAA Cc1ccsc1CN1CCO[C@H](c2nncn2C)C1 328637720 OSSLTKIYQOJQOO-NSHDSACASA-N 278.381 1.759 0 50 CDAA C[C@@H]1CCCCN1C(=O)CN[C@@H]1CCCn2nccc21 640216406 ACWGSMNAAWCZKN-CHWSQXEVSA-N 276.384 1.709 0 50 CDAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ncccc2c1 125918204 FKKCTUVCMAFTJF-HNNXBMFYSA-N 297.358 1.928 0 50 CDAA CO[C@H](CNC(=O)[C@H]1COCCN1)c1ccccc1Cl 237201983 MZVJQKPNSIQIGW-CHWSQXEVSA-N 298.770 1.132 0 50 CDAA CC(C)(C)O[C@H]1C[C@H](NC(=O)N2CC[C@@H](CCO)C2)C1 667308259 JKLRYYKRGBDYON-AVGNSLFASA-N 284.400 1.746 0 50 CDAA CC(C)Cc1ccccc1C(=O)NCC(=O)NC1CC1 252500685 TUBFFLKNPPINLE-UHFFFAOYSA-N 274.364 1.894 0 50 CDAA O=C(O)[C@H](c1ccsc1)N1CCC[C@H](n2cncn2)C1 568402533 LVSBTUDUCQRVQA-RYUDHWBXSA-N 292.364 1.802 0 50 CDAA Cc1ccc(C2(C(=O)NCC(=O)O)CCOCC2)cc1 154277400 UIKUJOXKUKKJEQ-UHFFFAOYSA-N 277.320 1.244 0 50 CDAA OC[C@@H]1CN(Cc2nc(C3CC3)no2)c2ccccc2O1 371937837 QIZQFUCIIWJCLT-NSHDSACASA-N 287.319 1.707 0 50 CDAA CCOc1cccc(CNC(=O)[C@@]2(C)C[C@H](O)CN2C)c1 585121924 GHQFWKTVQWXFEP-XJKSGUPXSA-N 292.379 1.157 0 50 CDAA COC(=O)c1cc(N)ccc1S(=O)(=O)N1CC[C@H]([C@@H](C)O)C1 160218208 DJBIRYNZPXLQBA-LLVKDONJSA-N 328.390 0.447 0 50 CDAA C[C@H](NC(=O)c1cc(C(C)(C)C)on1)c1nc[nH]n1 267212462 NAACDEDUBRCJIH-ZETCQYMHSA-N 263.301 1.581 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCCC12CCN(C)CC2 901288884 XPMMYHHKQVOCPT-UHFFFAOYSA-N 293.411 1.108 0 50 CDAA Cc1nonc1CN1CCC[C@@H]1c1ccc(N(C)C)nn1 818154418 SIUPXOLDKWTRNT-CYBMUJFWSA-N 288.355 1.571 0 50 CDAA Cc1nc2n(n1)C[C@@H](C(=O)N(C)c1ccccc1F)CC2 931532462 GMWSAXHMOYBLHZ-NSHDSACASA-N 288.326 1.951 0 50 CDAA Cn1nccc1-c1ccnc(NC[C@@H]2CCCC[C@H]2O)n1 865859311 LJNOWXQZSPWBQS-SMDDNHRTSA-N 287.367 1.840 0 50 CDAA C[C@H]1CCN[C@@H](C(=O)N2CCC(CC(=O)O)CC2)C1 127419295 AGHFBRLPQUFSJB-CMPLNLGQSA-N 268.357 1.088 0 50 CDAA COc1nscc1S(=O)(=O)N1CCC=C(F)C1 952993732 KYQAXPVFAQMVCX-UHFFFAOYSA-N 278.330 1.400 0 50 CDAA O=C1N[C@@H](C(=O)NC[C@H]2C[C@@H](c3ccccc3)C2)[C@@H]2CC[C@H]12 1875395153 NTEGJFJBJINKNR-MBEZOWKRSA-N 298.386 1.821 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O 1875311248 RLZLJDRNSOLYNW-ZRUFSTJUSA-N 290.319 1.699 0 50 CDAA CN(C)C/C=C/C(=O)N[C@H]1CCc2ncc(Cl)n2C1 1875376902 MNAUFNDLJYICEN-FSIBCCDJSA-N 282.775 1.085 0 50 CDAA CO[C@@H]1CCCCN(CC(=O)N2CCC=C(C)C2)C1=O 886077676 FRZGBTRCXXBARE-CYBMUJFWSA-N 280.368 1.193 0 50 CDAA Cn1ccc(CNC(=O)c2nnc(C(F)(F)F)s2)c1 1775989727 ADRIWVFYNDYWHU-UHFFFAOYSA-N 290.270 1.825 0 50 CDAA COc1ccc(CC(=O)NC[C@H]2CCCNC2)cc1F 129746531 IBBRXIFGGMJKNR-LBPRGKRZSA-N 280.343 1.493 0 50 CDAA NC1(CNC(=O)[C@H]2Cc3ccccc3O2)CCCCC1 261868909 YSJCQFJRDBPIJN-CQSZACIVSA-N 274.364 1.768 0 50 CDAA CCO[C@H]1C[C@H]1C(=O)N1CCC(CC(=O)O)CC1 262385527 DNBFNEXLQAVWRP-MNOVXSKESA-N 255.314 1.125 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCOC[C@@H]2C2CC2)cc1 263479222 AGMSYSPQCMBWIG-CYBMUJFWSA-N 275.304 1.636 0 50 CDAA O=c1c2cccc(C(F)(F)F)c2ncn1[C@@H]1CCNC1 42963320 FZFPKRLKDHAHPE-MRVPVSSYSA-N 283.253 1.950 0 50 CDAA O=C([C@H]1CCOC1)N(CCO)Cc1cccs1 67712698 XDDGDWQXLHUGKR-JTQLQIEISA-N 255.339 1.106 0 50 CDAA CCCOC[C@H]1CCN(CCN2CCCC2=O)C1 670460677 HMQDHQRUFFZFRN-ZDUSSCGKSA-N 254.374 1.357 0 50 CDAA O=C(O)CCC(=O)N[C@@H]1COC2(CCCCC2)C1 426472593 BRPDNUJIUQNYBX-JTQLQIEISA-N 255.314 1.459 0 50 CDAA Cc1nc2ncc3c(=O)n(-c4ccc(F)cc4)ccc3n2n1 30875027 KSHGUHJBHINGKW-UHFFFAOYSA-N 295.277 1.876 0 50 CDAA CCCCn1cc(C(=O)Nc2cnc3cc(C)nn3c2)nn1 2325785395 WIPVHFUCFSLKBJ-UHFFFAOYSA-N 299.338 1.682 0 50 CDAA CNCc1ccc(C(=O)N(C)CC2CC(F)C2)cn1 2325796458 RNCOWPZABGDFBT-UHFFFAOYSA-N 265.332 1.621 0 50 CDAA CC1(C)[C@@H](CN)C[C@@H]1NC(=O)c1ccn2c1CCCC2 2325800004 FHCXSQPCWUHCDL-RISCZKNCSA-N 275.396 1.928 0 50 CDAA CN1CCC[C@H](NC(=O)c2cn(C(C)(C)C)cn2)CC1 2325804646 BPSOKRRPMXUONM-LBPRGKRZSA-N 278.400 1.852 0 50 CDAA Cn1ccc(-c2cnn([C@]3(C(=O)O)C[C@@H]4C[C@@H]4C3)c2)n1 2325805179 WLPGAYDTNIRMGW-MSRIBSCDSA-N 272.308 1.493 0 50 CDAA COCC[C@@H]1CNCCN1Cc1ccc(Cl)cn1 903837210 FRJFJTBROOPKJO-CYBMUJFWSA-N 269.776 1.545 0 50 CDAA COC(=O)Nc1ccccc1C(=O)N1CCOCC1 177900 SUICKMTXSQMYES-UHFFFAOYSA-N 264.281 1.337 0 50 CDAA COC(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 283912 FZYGNOVGZZWDPI-UHFFFAOYSA-N 272.260 1.359 0 50 CDAA Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 351579 SAPHUPBUVMLFAA-UHFFFAOYSA-N 289.364 1.680 0 50 CDAA CCOC(=O)CCNC[C@H]1COc2ccccc2O1 4112094 HNXGXYPCJMVNQV-NSHDSACASA-N 265.309 1.369 0 50 CDAA Cc1ccc(S(=O)(=O)CC(=O)Nc2ncccn2)cc1 4502976 ATVBGNACPKMCJO-UHFFFAOYSA-N 291.332 1.197 0 50 CDAA COC(=O)N1CCCN(C(=O)NCC2CCC2)CC1 225532564 JANQMLPYYOAXJQ-UHFFFAOYSA-N 269.345 1.270 0 50 CDAA Cc1ccc(-c2noc([C@H](C)NC(=O)C(=O)O)n2)cc1F 225608314 SHEIVKYOECFVRA-ZETCQYMHSA-N 293.254 1.446 0 50 CDAA Cc1nc(S)sc1CC(=O)N[C@@H]1CCC[C@@H]1O 132877904 OBMSTRMSTWQYDW-SFYZADRCSA-N 272.395 1.312 0 50 CDAA Cc1ccc(-n2cc(C(=O)N3CCC(N)CC3)nn2)cc1 57509423 DFXUOYMHTJTJKX-UHFFFAOYSA-N 285.351 1.139 0 50 CDAA COC(=O)CCCS(=O)(=O)N1CCS[C@H](C)[C@@H]1C 134778190 WRVPFBSDZSDSGG-VHSXEESVSA-N 295.426 1.095 0 50 CDAA COc1cc(N[C@H](CC(C)C)c2ncnn2C)ncn1 65373106 KMZFJOSQGDHEQB-SNVBAGLBSA-N 276.344 1.813 0 50 CDAA 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288.347 1.944 0 50 CDAA CN1CCN(C(=O)C(=O)Nc2cccc3ccccc23)CC1 19841176 HXCPHCMESOITLO-UHFFFAOYSA-N 297.358 1.552 0 50 CDAA O=C(COc1ccccc1)NCCNC(=O)c1ccccc1 2266189 CNKYCRILNIIOJQ-UHFFFAOYSA-N 298.342 1.612 0 50 CDAA COc1ccc(OC)c(NC(=O)c2ccnn2C)c1 6731370 HRTWBOGZFGZIHK-UHFFFAOYSA-N 261.281 1.690 0 50 CDAA Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 4487528 DYVZVCAFHSIGAF-UHFFFAOYSA-N 274.305 1.932 0 50 CDAA O=C1C[C@H]2CN(Cc3ccc4c(c3)OC(F)(F)O4)C[C@H]2N1 1857680346 HEBPTEFCAMGUHY-VHSXEESVSA-N 296.273 1.328 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1cccnc1N(C)C 408474608 HELRNBXPLLVZDN-KBPBESRZSA-N 291.395 1.969 0 50 CDAA O=C(O)[C@]1(CC2CC2)CN(Cc2ccncc2)CC[C@@H]1O 1875245608 HWYRXIXIEONDMS-GOEBONIOSA-N 290.363 1.519 0 50 CDAA Cc1nn(C)c(C(=O)O)c1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875245903 DCFKPDHHYIJCKD-LBPRGKRZSA-N 299.330 1.697 0 50 CDAA C[C@H]1CCO[C@H]1C(=O)Nc1cccc(-n2ccnn2)c1 119292591 FDCYNZJEBJVVQY-GXFFZTMASA-N 272.308 1.631 0 50 CDAA O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1[C@H]2CCCC[C@H]21 332926606 GHLVTYFVLWJZKR-NNYUYHANSA-N 271.382 1.116 0 50 CDAA CCc1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1 10186313 HHBFXGROQDLSSC-UHFFFAOYSA-N 295.408 1.873 0 50 CDAA N[C@@H]1CCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 237916026 WYBUHVNGPYQHJY-GFCCVEGCSA-N 288.326 1.114 0 50 CDAA COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccncc1 248804392 GPEILOQFFVGENC-AVGNSLFASA-N 274.320 1.495 0 50 CDAA Fc1ccc(CCN[C@H]2CCc3ncnn3C2)cc1F 768534165 QYLZYKMSGOGPLN-NSHDSACASA-N 278.306 1.703 0 50 CDAA CC[C@H]1CN([C@H](CC)C(=O)Nc2nccs2)CCO1 253404988 GJPOSNYFGQNCCG-WDEREUQCSA-N 283.397 1.971 0 50 CDAA CC[C@@H]1CN([C@H](CC)C(=O)N[C@H](C)c2ncon2)CCO1 253408121 WRKARDVKFBQBJG-IJLUTSLNSA-N 296.371 1.136 0 50 CDAA C[C@H]1CN(C2CCOCC2)CCN1CC(=O)NC(C)(C)C 365848241 NQJJVDDMEYFTAN-ZDUSSCGKSA-N 297.443 1.086 0 50 CDAA COc1ccccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704355287 PCAQJUPFHFEDDD-STQMWFEESA-N 290.363 1.098 0 50 CDAA C=CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1 863971179 HUSHRHLOWRRIDQ-CYBMUJFWSA-N 258.321 1.132 0 50 CDAA O=c1cnc(Br)cn1Cc1cc(C2CC2)no1 952884341 YGIMAWSEUYEKSP-UHFFFAOYSA-N 296.124 1.920 0 50 CDAA CN1C[C@H](C(=O)N2CC=CCC2)[C@@H](C(F)(F)F)C1 952992019 HVGWLJGCGPURMA-UWVGGRQHSA-N 262.275 1.515 0 50 CDAA COC(=O)c1cccc(CN(C)CCc2cnc[nH]2)c1 1875273788 HBBMZEYMWZJKPN-UHFFFAOYSA-N 273.336 1.871 0 50 CDAA CNC(=O)[C@@H]1C[C@@H](C)CN(c2ncnc3scnc23)C1 1875288364 YALPDKYZWBMSRD-RKDXNWHRSA-N 291.380 1.295 0 50 CDAA COCc1ccoc1C(=O)Nc1nnc(C2CC2)n1C 1875285490 OSWWOKJASXRYIG-UHFFFAOYSA-N 276.296 1.684 0 50 CDAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc(O)nn1C 1875293056 AVCWLDDWHNQHMD-NSHDSACASA-N 287.319 1.606 0 50 CDAA COc1nscc1[C@H](C)N[C@@H]1C=C[C@H](CO)C1 1875285166 FGALUVJLZAVEJF-LPEHRKFASA-N 254.355 1.739 0 50 CDAA CC(C)(C)NC(C)(C)c1cn(Cc2cccc(N)n2)nn1 1875281926 FLBMEYXOEGWJGP-UHFFFAOYSA-N 288.399 1.927 0 50 CDAA Cc1nn(C)cc1C[C@H](NC(=O)c1ccccc1)C(=O)O 1875291553 DKFMXYPAGUCRFS-ZDUSSCGKSA-N 287.319 1.154 0 50 CDAA C[C@@H](CC(=O)NS(C)(=O)=O)N1CCCc2ccccc21 1875390712 BPZAFQRFIREBQZ-NSHDSACASA-N 296.392 1.294 0 50 CDAA COc1cn(C)nc1[C@@H](C)Nc1cc(-n2ccnc2)ncn1 1164220131 CQIFHKXILJOQBN-SNVBAGLBSA-N 299.338 1.578 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)CCOc1ccc(F)cc1 237589239 RBVNHBUNBOUQIZ-WCQYABFASA-N 280.343 1.933 0 50 CDAA Nc1ncnc(N2CCC[C@H](N3CCCC3)C2)c1Cl 302033904 DKQUOQHIPKUWIO-JTQLQIEISA-N 281.791 1.777 0 50 CDAA Cc1ccc(O)c(CN(C[C@@H]2CCCN2)C2CC2)n1 311292537 BZUMNJASSGJRNI-LBPRGKRZSA-N 261.369 1.812 0 50 CDAA C[C@@H](C(=O)NCC1(O)CCC(F)(F)CC1)n1cccn1 426501901 RHWWTEVGEBPHNE-JTQLQIEISA-N 287.310 1.501 0 50 CDAA Cc1cnc(N)nc1NCCN(C)c1ccccc1 91931314 BMDZCOHSURGURJ-UHFFFAOYSA-N 257.341 1.916 0 50 CDAA CN1CCC2(CC1)CCN(C(=O)c1c[nH]c(=N)s1)C2 584887506 YYNHLVDZSOMAMR-UHFFFAOYSA-N 280.397 1.114 0 50 CDAA C[C@@]1(C(=O)NCc2csc(=N)[nH]2)CCCCO1 584902555 BJQDABKVJJYEGN-NSHDSACASA-N 255.343 1.131 0 50 CDAA COC(=O)CC(=O)NCc1ccc(C(F)(F)F)cc1 863981751 KOZKOCGHDXKVHL-UHFFFAOYSA-N 275.226 1.885 0 50 CDAA O=C(C1CCOCC1)N1CCC(C2(O)CC2)CC1 1349623944 LXEHNSSRFCWQGP-UHFFFAOYSA-N 253.342 1.177 0 50 CDAA COCc1nc(-c2ccc(S(C)(=O)=O)cc2)nn1C 2100483145 UZAHGXXKTTXOQU-UHFFFAOYSA-N 281.337 1.032 0 50 CDAA O=C(c1ccn2ncnc2c1)N1CCc2ccccc2CC1 2100537761 UJEFDEIFDAVPCE-UHFFFAOYSA-N 292.342 1.970 0 50 CDAA O=C(Cn1ncc2ccccc21)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100547095 BLXMXKKIAACJQM-XMQYKBBCSA-N 299.374 1.798 0 50 CDAA O=C1C[C@H](c2ccc(-c3cnc4c(=O)[nH]ccn34)cc2)CN1 2100556732 GFZFDIXEXCCVGT-LBPRGKRZSA-N 294.314 1.293 0 50 CDAA Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)no1 9204056 NSPCWJAUIVTRKB-UHFFFAOYSA-N 291.332 1.884 0 50 CDAA C[C@H](NC(=O)CCc1nn[nH]n1)c1ccc(C2CC2)cc1 2325760290 FZBWTVCNMVAZAJ-JTQLQIEISA-N 285.351 1.887 0 50 CDAA COCC1CC(NC(=O)Nc2cnn3cccnc23)C1 2325810212 CSWGJEYKHGYRBM-UHFFFAOYSA-N 275.312 1.276 0 50 CDAA C[C@@H]1NC(=O)CC[C@@H]1CNC(=O)C(=O)C1CCCCC1 2325811344 QNCSUZSVLZGXMU-CMPLNLGQSA-N 280.368 1.167 0 50 CDAA CC[C@@H](C)CC(=O)C(=O)N[C@@H](CCC(C)(C)C)C(N)=O 2325813776 ZHJHCYAHHLYZTK-MNOVXSKESA-N 284.400 1.788 0 50 CDAA C[C@H]1CNCCN1C(=O)c1ccc(Cn2ccnc2)cc1 125729893 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Cc1cc(F)cc(C(=O)N2CCC[C@@H]2C(=O)O)c1 135208784 SEGVYHGOLIKHRX-LLVKDONJSA-N 251.257 1.823 0 50 CDAA Cc1cscc1C(=O)N(CC(=O)O)C1CCOCC1 237806212 AIQYNQXSBDAJPQ-UHFFFAOYSA-N 283.349 1.762 0 50 CDAA C[C@H](NC(=O)CN1C(=O)C[C@@H](C)C1=O)[C@H]1C[C@H]2CC[C@H]1C2 246159532 IMXNYYSOAGOAKL-QNWJLWSRSA-N 292.379 1.322 0 50 CDAA Cc1nnc(Cn2cnc3c(C)csc3c2=O)[nH]1 311002445 VMPRPRNJCHIJLK-UHFFFAOYSA-N 261.310 1.241 0 50 CDAA O=C(CN1CCCCCC1)N[C@H](CO)Cc1ccccc1 65492389 NBOYMZFTHHVRPZ-INIZCTEOSA-N 290.407 1.582 0 50 CDAA CCc1cc(CN(C)C(=O)c2ccc(=O)[nH]c2)on1 67490668 XHGJVTOERJSPHX-UHFFFAOYSA-N 261.281 1.198 0 50 CDAA O=C(NCCCCc1ccccn1)c1cn2c(n1)CNCC2 72167088 QODQPYGDASTWSC-UHFFFAOYSA-N 299.378 1.134 0 50 CDAA COc1ccc(-c2cc(N3CCCC3)nc(N)n2)cn1 216498651 XRTBAMXRZWNGCR-UHFFFAOYSA-N 271.324 1.730 0 50 CDAA Cc1ncoc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O 330333464 YIEGHCDDRDSDNB-GHMZBOCLSA-N 278.308 1.193 0 50 CDAA CC1(C)SC[C@H]1NS(=O)(=O)c1ccccn1 328762892 ZPBLHOZIKJZOOH-MRVPVSSYSA-N 258.368 1.254 0 50 CDAA COC(=O)CCN(C(=O)[C@H]1CCCC12OCCO2)C(C)C 253404853 TVKSETQIQKBFDP-GFCCVEGCSA-N 299.367 1.330 0 50 CDAA CC[C@H](N)C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 253432749 NKALIXWFNBCPJQ-XBFCOCLRSA-N 262.353 1.712 0 50 CDAA CSCC[C@@H](O)C(=O)NCc1nc2ccc(F)cc2[nH]1 215782151 VXMQPMDYDMQJTN-LLVKDONJSA-N 297.355 1.432 0 50 CDAA Cc1ccc(CC(=O)NCc2c3c(nn2C)CCCC3)cn1 331716948 OVKIBBJGBNGEKM-UHFFFAOYSA-N 298.390 1.861 0 50 CDAA COc1ccc2cc(C(=O)N(C)CC(=O)O)c(C)nc2c1 153197010 VRYPMOIQNRDPOU-UHFFFAOYSA-N 288.303 1.708 0 50 CDAA Cc1cc(C(F)(F)F)nn1CC(=O)N=c1cccn[nH]1 361845181 NFTRZRVMVZXVKK-UHFFFAOYSA-N 285.229 1.061 0 50 CDAA Cn1ncnc1CCNC(=O)c1cc2sccc2[nH]1 218919788 MUSRCVHLXQNHGE-UHFFFAOYSA-N 275.337 1.330 0 50 CDAA Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3nccc3[nH]2)no1 364171019 YRQFUZYDQAXLPU-ZDUSSCGKSA-N 299.334 1.656 0 50 CDAA CC(C)[C@@H]1C[C@H](CNC(=O)/C=C/CN(C)C)CCO1 493500603 UPXACOYQIZEVBI-IHDARNGBSA-N 268.401 1.672 0 50 CDAA CCC[C@]1(NC(=O)c2nn(C)c3c2CCCC3)CCOC1 333045392 FTIATLSJDKJVJV-INIZCTEOSA-N 291.395 1.988 0 50 CDAA CNC(=O)c1ccc(CNC(=O)c2cnn(C(C)C)c2)o1 77457418 SEBUQZPVKUATLV-UHFFFAOYSA-N 290.323 1.347 0 50 CDAA C[C@H](N)CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 261903230 ZJXAMJMFOUWUSZ-WDEREUQCSA-N 273.340 1.182 0 50 CDAA Cc1ncsc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 237656157 LOELYJVVVYAEND-SNVBAGLBSA-N 298.364 1.547 0 50 CDAA CC[C@@H]1CC[C@H](C(=O)N2CCOCC23CCC3)O1 334313308 VXHCIGRJJAWBKR-VXGBXAGGSA-N 253.342 1.726 0 50 CDAA CN1CCO[C@@H](C(=O)N2CC(c3ccc(Cl)cc3)C2)C1 335150305 CHXSVKKVEZYCCL-CQSZACIVSA-N 294.782 1.596 0 50 CDAA Cn1c(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)O)cccc1=O 262710117 CJIZHWGYTKWXKU-MEBBXXQBSA-N 292.335 1.149 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@H]1CC(=O)O 262849488 CZLRKBAZVJLLMZ-SDDRHHMPSA-N 285.340 1.036 0 50 CDAA O=S(=O)(c1ccccc1OCC1CC1)N1CC(CO)C1 521397067 XRVVBPJUVQTOFJ-UHFFFAOYSA-N 297.376 1.088 0 50 CDAA C[C@@H]1C[C@@H](C(=O)O)CN(c2noc(C(C)(C)C)n2)C1 263126450 FRLYURRLIZPEPK-RKDXNWHRSA-N 267.329 1.914 0 50 CDAA CSc1nc(C(=O)NCc2nnc(N)s2)cs1 223393940 WXYJXVUCZJIXFX-UHFFFAOYSA-N 287.395 1.229 0 50 CDAA Cc1nccn1C[C@@H]1CCCN(C(=O)CCC(=O)O)C1 426693642 DELJKCPUYJWWBQ-LBPRGKRZSA-N 279.340 1.295 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)c2c[nH]c(=O)cc2O)cn1 221316925 XZBHAJOBWYEVQL-SECBINFHSA-N 273.292 1.275 0 50 CDAA COC(=O)c1cnc(Cl)c(Br)n1 144950857 PMNRFTVMUXRTFN-UHFFFAOYSA-N 251.467 1.679 0 50 CDAA C[C@H](NC(=O)c1nccc2ccccc12)c1n[nH]c(=N)s1 426690763 VWGWAILJOYXWNU-QMMMGPOBSA-N 299.359 1.990 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)c(=O)n(C)c1C 426518209 FFZKWRUXTKCZDO-GFCCVEGCSA-N 292.335 1.081 0 50 CDAA CCc1cc(CN(C)C(=O)c2cc(=O)cc(C)[nH]2)on1 426510637 NOHBBEQOWJKLBZ-UHFFFAOYSA-N 275.308 1.506 0 50 CDAA O=C(c1ccon1)N1CCC[C@H](OCc2cccnc2)C1 91663885 BIZUYADQAMKLHC-ZDUSSCGKSA-N 287.319 1.891 0 50 CDAA Cc1occc1C(=O)N1CCN(C2CCCC2)C[C@@H](O)C1 97698633 UIVMCSNRVYYKPK-CQSZACIVSA-N 292.379 1.649 0 50 CDAA Cc1cnc(N)nc1NCCCN1CCC[C@H](C)C1 91616655 XNIZGCGQTHJELH-NSHDSACASA-N 263.389 1.901 0 50 CDAA Cc1nn(C)c2nc(N3CCN4CCC[C@@H]4C3)sc12 95523206 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284.275 1.288 0 50 CDAA CCCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 330875447 ZRTIIEOIZHIJEO-QWHCGFSZSA-N 282.384 1.178 0 50 CDAA O=C(c1cn[nH]c1)N1CCC(c2noc(C3CC3)n2)CC1 364049191 UXTDXMDBWGSGOQ-UHFFFAOYSA-N 287.323 1.690 0 50 CDAA Cc1nc(CC(=O)N2CC[C@@H](C(=O)O)C[C@H]2C)cs1 235316053 VQXLTGUFLNFLIR-PSASIEDQSA-N 282.365 1.706 0 50 CDAA CCCN(C)c1ccc(C(=O)N(C)CC(=O)O)cc1 153171710 XTTDSFWCRKCDMZ-UHFFFAOYSA-N 264.325 1.689 0 50 CDAA CCn1cncc1CN1CCO[C@@H](c2cccnc2)C1 215789018 PVYASHXEIQAYMF-OAHLLOKOSA-N 272.352 1.872 0 50 CDAA CC[C@H](C)[C@H](OC)C(=O)N1CC(=O)Nc2cnccc21 332705281 WSNLHNKMRIVGRU-ZANVPECISA-N 277.324 1.428 0 50 CDAA CC[C@H](C(=O)O)N(c1cccc(Cl)c1)S(C)(=O)=O 39315694 GGIMOCLDSKQFOV-SNVBAGLBSA-N 291.756 1.969 0 50 CDAA CCc1cc(N2CC[C@@H](NC(C)=O)C2)n2nccc2n1 72440784 YPYUVGGFUCTOQQ-GFCCVEGCSA-N 273.340 1.007 0 50 CDAA C[C@@H]1CCCN(C(=O)/C=C/c2ccccn2)[C@@H]1CN 156685356 PXLBDFBYEAZJHP-SNRDVKANSA-N 259.353 1.681 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)[C@H]1CCCCN1 237252473 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CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nnnn1-c1ccccc1 670468575 KFBIOTWHKOOSKV-WDNDVIMCSA-N 285.351 1.809 0 50 CDAA COc1cccc(N2CCN([C@@H]3CCSC3)CC2=O)c1 670453920 CIEVGORQRFHZAQ-CYBMUJFWSA-N 292.404 1.849 0 50 CDAA Cn1ccnc1C1(O)CN(C(=O)c2cc3ccccn3c2)C1 1349047036 JYFRDSCCSRWJAX-UHFFFAOYSA-N 296.330 1.016 0 50 CDAA Cc1nnc(C2(C)CN(C(=O)[C@@H]3O[C@@H](C)C[C@H]3C)C2)o1 952892470 NQBRNNDOWPITQJ-WCABBAIRSA-N 279.340 1.291 0 50 CDAA CN1CCC(CNC(=O)/C=C/c2cc(CO)cs2)CC1 952976356 MFDOLZLVSZXLQZ-NSCUHMNNSA-N 294.420 1.712 0 50 CDAA CC1(C)C[C@H]1C(=O)N1CCCN(C(=O)C(F)(F)F)CC1 952968785 IDTQIVYZTFDJCW-VIFPVBQESA-N 292.301 1.656 0 50 CDAA O=C(O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@@]23C=C[C@H]1O3 100001803 SDOCVRCDRWCALS-ZAZJYDDPSA-N 277.320 1.186 0 50 CDAA biogenic,in-vitro C[C@@H]1[C@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(F)F 408046785 XZGLQZSBDWKDFO-RGOKHQFPSA-N 285.294 1.268 0 50 CDAA Cc1c[nH]cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1=O 408169903 TVINZOAZNAHYMW-NSHDSACASA-N 286.335 1.426 0 50 CDAA 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BVLQYIRKGIQJEO-QJPTWQEYSA-N 283.368 1.951 0 50 CDAA Fc1ccccc1-n1cc(CN2CCOCC2)nn1 585091511 OJAZHRPTWBVXSH-UHFFFAOYSA-N 262.288 1.239 0 50 CDAA O=C(O)c1cccc(C(=O)NC[C@H]2CCCCN2)c1 585090305 XHPLOBYDBQPWOE-GFCCVEGCSA-N 262.309 1.257 0 50 CDAA O=S(=O)(N[C@H]1C[C@H]2CC[C@H]1O2)c1c[nH]c2ccccc12 585135345 CPWDOCWNQCQOSV-JIMOISOXSA-N 292.360 1.766 0 50 CDAA Cc1ccc(O)c(CN2CCC[C@H](C(=O)NC3CC3)C2)n1 1615583808 ZSRWPPFBPTXNRP-LBPRGKRZSA-N 289.379 1.586 0 50 CDAA CO[C@@H]1CNC[C@H]1NC(=O)CCC(=O)c1ccc(C)s1 1615548518 MVTZZNTZGIGHKQ-ZYHUDNBSSA-N 296.392 1.122 0 50 CDAA CCNc1cc(CNC(=O)N2CC[C@H](N(C)C)C2)ccn1 1616038031 DLKIWJMCFKTXCF-ZDUSSCGKSA-N 291.399 1.359 0 50 CDAA Cc1cccnc1CN1CCN(CCc2nccn2C)CC1 1506429955 WLPNUUZAGKOPPW-UHFFFAOYSA-N 299.422 1.484 0 50 CDAA COC(=O)[C@@H]1CCc2nnc([C@H]3CCCO3)n2CC1 601044404 PLUHXDIORXZCIN-NXEZZACHSA-N 265.313 1.255 0 50 CDAA C[C@H]1CN(C(=O)c2cnn3ccccc23)C[C@]1(O)C1CCC1 222230344 MCUPPPDUVUJIMN-YVEFUNNKSA-N 299.374 1.957 0 50 CDAA Cc1csc(NC(=O)CSc2nncn2C)n1 1057280 ZOFRZPHHTFSMEQ-UHFFFAOYSA-N 269.355 1.311 0 50 CDAA O=S(=O)(c1ccccc1Br)n1ccnc1 15021302 QIVUMNUGQQBILC-UHFFFAOYSA-N 287.138 1.883 0 50 CDAA in-vitro Cc1nc(N2CC[C@@H](O)[C@@H](CO)C2)c2ccccc2n1 1529179998 AJRPNHTUDKDLQE-BXUZGUMPSA-N 273.336 1.118 0 50 CDAA C[C@@H](CCN(C)c1nc(C(=O)O)co1)N1CCCC1 1529105478 CCYCVMDZEVASTI-JTQLQIEISA-N 267.329 1.683 0 50 CDAA COC[C@@H](c1ccccn1)N(C)c1cncc(C(=O)O)n1 1529189176 JOCFNUHUSRDLRZ-LBPRGKRZSA-N 288.307 1.394 0 50 CDAA C[C@H](N)[C@H]1CCCN(S(=O)(=O)CC2CCCCC2)C1 111713269 NCJJJMRNENSHOB-JSGCOSHPSA-N 288.457 1.956 0 50 CDAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(C)(C)CO 408694 PKONBWASQMFGLE-UHFFFAOYSA-N 297.351 1.118 0 50 CDAA Fc1ccc(OC2CN(CC[C@@H]3COCCO3)C2)cc1 1800408440 DWPIFTJKJBXMGX-CQSZACIVSA-N 281.327 1.694 0 50 CDAA O=C(N[C@H]1CCCOC12CCNCC2)c1cccc(O)c1 1772705959 UIAVWQPMBMFYFI-AWEZNQCLSA-N 290.363 1.423 0 50 CDAA CC[C@@]12C[C@@H]1CN(C(=O)c1nn(C)cc1Cl)C2 1775979061 FDIMOHLTGMVTFQ-PELKAZGASA-N 253.733 1.946 0 50 CDAA COC(=O)CNC(=O)c1coc(COc2ccccc2)n1 12057550 KWFDANLDEQEQKO-UHFFFAOYSA-N 290.275 1.156 0 50 CDAA CC(C)(C)CN1CCC[C@@](O)(CN2CCCO2)C1=O 12299439 VRHKHTLWHAQPLT-CQSZACIVSA-N 270.373 1.023 0 50 CDAA NS(=O)(=O)c1c(F)cc(F)cc1Br 12359342 NHXOSMOBFMOMNZ-UHFFFAOYSA-N 272.070 1.375 0 50 CDAA CC[C@@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2CCOC 14740826 KXMJHDDDTGHTTO-GFCCVEGCSA-N 297.399 1.160 0 50 CDAA O=C(COc1ccc(F)cc1F)NC1=NCCS1 16580384 UDOZDBQFLGLYLP-UHFFFAOYSA-N 272.276 1.563 0 50 CDAA COc1ccc(C(=O)NC2CCN(C)CC2)cc1OC 16605859 OSJKAVDCFNRVIX-UHFFFAOYSA-N 278.352 1.528 0 50 CDAA CCCC[S@@](=O)C[C@H](O)COc1ccccc1 16662161 UMOPQQMABRASPP-PXAZEXFGSA-N 256.367 1.975 0 50 CDAA COC(=O)C1CCN(c2ccnc(Cl)n2)CC1 16678719 RANXPSAMFSXQAL-UHFFFAOYSA-N 255.705 1.519 0 50 CDAA O=C(OC[C@@H]1CCCO1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169301904 JODYRQMUZSXWIR-NGDQXYMTSA-N 266.293 1.232 0 50 CDAA CCOC(=O)c1ccccc1NC(=O)c1ccnn1C 6699193 DYSIIEGCHZTAJY-UHFFFAOYSA-N 273.292 1.849 0 50 CDAA CCCC(=O)NCCSCCNC(=O)CCC 2496145 HYLNZFDMRSYGAQ-UHFFFAOYSA-N 260.403 1.552 0 50 CDAA O=C(CSc1cn[nH]n1)Nc1ccc2c(c1)OCCO2 4386610 QCEMTDMTDMXTGB-UHFFFAOYSA-N 292.320 1.307 0 50 CDAA CC(C)C[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CC(=O)N1 252511046 DKDKEYNDDFVTSW-JHJVBQTASA-N 282.384 1.223 0 50 CDAA O=C(CCCn1cncn1)N[C@H]1CCCCC[C@H]1C(=O)O 252550355 SLRHYALUWYSIBG-NEPJUHHUSA-N 294.355 1.208 0 50 CDAA COc1cnc(-c2ccc([C@@H]3CNC(=O)C3)cc2)nc1 1875241611 ULJBEHPLEPSNMH-LBPRGKRZSA-N 269.304 1.756 0 50 CDAA O=C1CS(=O)(=O)c2ccc(Br)cc21 222335508 OSCAROHQYYOTHG-UHFFFAOYSA-N 261.096 1.419 0 50 CDAA CC(C)c1noc(CCC(=O)N2CCC[C@H](C(=O)O)C2)n1 236664001 OQSAVTKHGDHBNE-JTQLQIEISA-N 295.339 1.449 0 50 CDAA COc1cc(C=O)ccc1OCCCN1CCOCC1 19798078 HKHGKGCISMWMQF-UHFFFAOYSA-N 279.336 1.609 0 50 CDAA Cc1cnc(C(=O)N2CCc3ccc(C(=O)O)cc3C2)cn1 262046019 CKFWDLBJFDRPBC-UHFFFAOYSA-N 297.314 1.682 0 50 CDAA NC(=O)[C@@H]1CCN(C[C@@H]2C[C@H]2c2ccc(F)cc2)C1 585140649 HXAPIPIDIYPYEL-DYEKYZERSA-N 262.328 1.736 0 50 CDAA O=C1N(C2Cc3ccccc3C2)CC[C@]12CCCN2 35287477 JGUZBPLJWNYHDL-MRXNPFEDSA-N 256.349 1.508 0 50 CDAA in-vitro Cc1ccc2oc(N3CCCN(CCO)CC3)nc2c1 265105604 GELYRJUASZOBSK-UHFFFAOYSA-N 275.352 1.641 0 50 CDAA CCNC(=O)C[C@H]1CCCCN1Cc1nncs1 930370750 JJNQQDWQBAUJIZ-SNVBAGLBSA-N 268.386 1.419 0 50 CDAA CC[C@H](CO)N1CCC(O)(Cc2nc(C)cs2)CC1 930987650 YBCMIPATAQRXCF-GFCCVEGCSA-N 284.425 1.592 0 50 CDAA Cn1nncc1NC(=O)N1C[C@H](C2CC2)C[C@@H]1C1CC1 931275648 CNWNFJBGGOCLIS-VXGBXAGGSA-N 275.356 1.858 0 50 CDAA COc1ccc(C[C@H](CN)CO)cc1-c1c[nH]ccc1=N 952848530 HDJUGUPZAKFVQV-GFCCVEGCSA-N 287.363 1.279 0 50 CDAA Cc1occc1C(=O)N1CCCC[C@@H]1Cc1nn[nH]n1 1875286127 MJYWDQMJZWTECY-SNVBAGLBSA-N 275.312 1.339 0 50 CDAA CNC(=O)Cc1ccc(NC(=O)c2ccc(C)[nH]2)cc1 1875341459 UIENYPKGQHYNJQ-UHFFFAOYSA-N 271.320 1.864 0 50 CDAA COCC1(NC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CCC1 1875395136 MVRXIKMKBFVFAA-VHSXEESVSA-N 293.367 1.731 0 50 CDAA CCN1CCC[C@@H]1CN(C=O)Cc1ccc(OC)c(O)c1 1875326016 XVVYPPHAWOKTGX-CQSZACIVSA-N 292.379 1.844 0 50 CDAA CN(C)C(=O)C[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1O 1875398702 BOCUJKLWBVXCKU-TZMCWYRMSA-N 296.798 1.611 0 50 CDAA CC(=O)N1CC[C@]2(CN(Cc3ccccc3)C[C@@H](C)O2)C1 882584564 PFEVRWJXZFHDKN-PBHICJAKSA-N 288.391 1.898 0 50 CDAA CC(C)=CCN1CCC[C@@](O)(Cc2nncn2C)C1 886088136 CHOYYUOSYMWGQZ-CQSZACIVSA-N 264.373 1.151 0 50 CDAA Cc1noc(CNC(=O)c2cc3c(ccn3C)[nH]2)n1 1775987568 ANYOQUJGOFNYQR-UHFFFAOYSA-N 259.269 1.128 0 50 CDAA COCc1cncc(C(=O)N2C[C@H](N)C3(CCC3)C2)c1 1775962589 URZPOEHISHNHJC-ZDUSSCGKSA-N 275.352 1.181 0 50 CDAA COc1c(N)ncnc1N1CCc2cc(F)ccc2C1 516663135 FFKBFOITIIVVFE-UHFFFAOYSA-N 274.299 1.769 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C[C@@H](O)c2cccc(Cl)c2)C1 530171628 RBNYLJAHVLSHCD-OCCSQVGLSA-N 299.754 1.549 0 50 CDAA O=C(O)CCCC(=O)NCc1cnc2c(c1)CCC2 534587283 VVWFDPIOMXWKNP-UHFFFAOYSA-N 262.309 1.441 0 50 CDAA CCc1ccccc1C(=O)N1CC[C@](OC)(C(=O)O)C1 630254127 MRXYBNWYJSEECD-OAHLLOKOSA-N 277.320 1.565 0 50 CDAA Cc1cc(C(F)(F)F)nc(N[C@@H]2CCC(=O)N[C@@H]2C)n1 440546396 NBKWJEMXIVPQEP-HTQZYQBOSA-N 288.273 1.883 0 50 CDAA CC(C)(C(=O)N1CC[C@](O)(C(=N)O)C1)C1CCCC1 336332999 KUPFBQFZSMHCEH-CQSZACIVSA-N 268.357 1.701 0 50 CDAA O=C([C@@H]1CCn2cnnc2C1)N1CC[C@H]2CC[C@H]1C2 2325808227 HIBFWMUXQKVVQH-UTUOFQBUSA-N 260.341 1.242 0 50 CDAA C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)s1)C(=O)O 2325826353 ZMJSMUSOSNXZDY-VKHMYHEASA-N 283.231 1.606 0 50 CDAA Nc1cccc(NC(=O)c2nccc3c2CNCC3)c1 2325840327 XWFCZUMMELTMDB-UHFFFAOYSA-N 268.320 1.562 0 50 CDAA C=CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C(C)C)CC2)C1 2325893857 VUAAQNDXMAFBSH-MQMHXKEQSA-N 278.396 1.962 0 50 CDAA O=C(CC[C@H]1CCNC1)Nc1ccc(-n2ccnc2)nc1 134496351 XFBKQXUVRKJGAC-LBPRGKRZSA-N 285.351 1.596 0 50 CDAA O=C(C[C@H]1SCCNC1=O)Nc1ccccc1 2197687 YYJJDPBXCFGOQT-SNVBAGLBSA-N 250.323 1.247 0 50 CDAA O=C(CCC(=O)NCc1ccco1)NCc1ccco1 2747200 NZKIMMCDXKLALS-UHFFFAOYSA-N 276.292 1.585 0 50 CDAA CCc1noc(C)c1C(=O)N1CCC[C@@]12CCCNC2=O 2356166984 QMLOUIHMJUWJOX-OAHLLOKOSA-N 291.351 1.430 0 50 CDAA CCOC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 3154280 VOTZTGNBVMQDEE-UHFFFAOYSA-N 299.348 1.372 0 50 CDAA CCc1ocnc1C(=O)N1CCC[C@]12CCCNC2=O 2356169714 XEHSEANSUVQINK-AWEZNQCLSA-N 277.324 1.122 0 50 CDAA O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4610470 UOROWQIYVUQGLN-FQPOAREZSA-N 283.283 1.696 0 50 CDAA CN1CCN(C(=O)[C@@]23C[C@H]4CC[C@@]2(C)[C@@]4(C)CO3)CC1 100700731 WGFILQMKBVDBMT-OEAJRASXSA-N 278.396 1.356 0 50 CDAA CC(C)NC(=O)c1cccc(NS(C)(=O)=O)c1 10356989 XPCSIDMGWQASDZ-UHFFFAOYSA-N 256.327 1.196 0 50 CDAA O=C(NCCn1c(S)nnc1C1CC1)c1cc[nH]c1 225429516 RHSFBEADPBOKMQ-UHFFFAOYSA-N 277.353 1.202 0 50 CDAA O=C(c1ccsc1)N1CC[C@@](O)(C(F)(F)F)C1 112686898 RUZKYKOXIJKXFJ-VIFPVBQESA-N 265.256 1.887 0 50 CDAA Oc1n[nH]c(CN2CCC[C@@H]2Cc2cc(F)ccc2F)n1 419301684 OFZCALBBIJQTGY-LLVKDONJSA-N 294.305 1.996 0 50 CDAA CCCCNC(=O)[C@H]1CC[C@H](C)N(CCCC(=O)O)C1 116374781 NYFNHCDMIIZAFO-STQMWFEESA-N 284.400 1.868 0 50 CDAA CCC(=O)Nc1cccc(OCC(=O)N[C@H](CC)CO)c1 55245533 DSIKYBDTEGHXGL-LLVKDONJSA-N 294.351 1.301 0 50 CDAA CCOC1(C(=O)N[C@H]2CCN(CCOC)C2)CCCC1 342481147 VYAHBGDSMCKKGL-ZDUSSCGKSA-N 284.400 1.173 0 50 CDAA Cn1cc(-c2cc(CN3CCN4CCC[C@H]4C3)on2)cn1 248988801 KPSHTDKFWUDMJW-ZDUSSCGKSA-N 287.367 1.355 0 50 CDAA C1Cc2[nH]nc(CNC3CSCCSC3)c2C1 67883610 VFGSHDTZKMDHMK-UHFFFAOYSA-N 269.439 1.837 0 50 CDAA COc1cc(Cl)ccc1CN1C[C@@H](OC)C[C@H]1CO 344711543 LFFURIITIFFJLN-STQMWFEESA-N 285.771 1.930 0 50 CDAA C[C@H](OCC1CC1)C(=O)N1CCC[C@H](C(=O)O)C1 136146070 ZHQVBZDWRAEBKD-ONGXEEELSA-N 255.314 1.125 0 50 CDAA CC(C)(C)c1ncc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)s1 1364142921 WSVPAPUUFWJHKD-PSVAKVPMSA-N 284.381 1.055 0 50 CDAA COC(=O)c1ccccc1-c1cncc(C(N)=O)c1 32597604 FPFPZIVJIMFFES-UHFFFAOYSA-N 256.261 1.634 0 50 CDAA CCOC(=O)c1cc(C(=O)Nc2cc(C)ccn2)nn1C 374358 MWSQHNCDZUKREX-UHFFFAOYSA-N 288.307 1.553 0 50 CDAA Cc1cc(C)n(-c2nnc(NCc3ccccc3)nn2)n1 978239 ONLLFCRCJXOFJW-UHFFFAOYSA-N 281.323 1.681 0 50 CDAA Cn1cnc2cc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)ccc21 219261977 JJEPZFKLRGQPPQ-SUNKGSAMSA-N 271.320 1.481 0 50 CDAA CC1(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)CCC1 329085567 ULOCNMLYTNDNHT-VIFPVBQESA-N 264.329 1.407 0 50 CDAA CC(C)(C)OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1 35622799 NCDRUHJVDHVOAF-SNVBAGLBSA-N 286.372 1.537 0 50 CDAA COc1ccc(-c2cc3nncn3c(N)n2)cc1F 215770501 RIHJUXMAPBHVBI-UHFFFAOYSA-N 259.244 1.521 0 50 CDAA Cc1ccncc1N1CCN(c2nccn3cnnc23)CC1 329284524 GBHCEPGCSIGXLG-UHFFFAOYSA-N 295.350 1.154 0 50 CDAA COC(=O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)nc1 71736110 QNFWCFCQGLKTTL-VIFPVBQESA-N 290.241 1.636 0 50 CDAA Cc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)c(O)n1 331118716 WRVABOTVFSIHOC-UHFFFAOYSA-N 296.352 1.674 0 50 CDAA CC(=O)c1cc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)ccc1C 331329696 HEIPJMZBBVUYTB-SWLSCSKDSA-N 291.347 1.419 0 50 CDAA COC(=O)[C@H](Sc1nc2cncnc2[nH]1)C1CC1 358839453 HENSDWBRGMKZGQ-MRVPVSSYSA-N 264.310 1.397 0 50 CDAA CO[C@@](C)(C(=O)NCc1nc(CO)cs1)C1CC1 331686178 RKOBERMQTMAKHB-GFCCVEGCSA-N 270.354 1.067 0 50 CDAA Cc1cc(NCCCn2cncn2)n2nc(C)cc2n1 72410571 KWNMJNJWHHZFAK-UHFFFAOYSA-N 271.328 1.440 0 50 CDAA CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CC[C@H](C)O1 262586010 OTMMATUDRJDRDH-AVGNSLFASA-N 254.374 1.545 0 50 CDAA COC(=O)c1nc2ccccn2c1Br 38540650 XKORIBLEIRKCPU-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA Cc1cnccc1NCCNC(=O)[C@H]1CCC[C@H](O)C1 219628394 YOOUGEYIVWATGP-STQMWFEESA-N 277.368 1.469 0 50 CDAA CC1(C)CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H]2COC[C@@H]21 333307842 DERPEURYMICSBR-SCDSUCTJSA-N 289.379 1.398 0 50 CDAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1COCCN1 262628118 LWNRJJMSFBIXKR-BPLDGKMQSA-N 274.364 1.379 0 50 CDAA CCC1(CC)CN(C(=O)c2nnc(COC)o2)CCO1 71748662 KRPWMFOGAGCCOX-UHFFFAOYSA-N 283.328 1.247 0 50 CDAA CC(C)[C@@H](NC1CCOCC1)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 333534374 YSIPAQDFNUDWSH-AYRXBEOTSA-N 280.412 1.694 0 50 CDAA COC[C@@H](O)CNC1CC(C)(c2ccc(F)cc2)C1 370730971 RWVLRLKGSLOZAZ-SLTAFYQDSA-N 267.344 1.843 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)c1cc(C(F)F)n[nH]1 219282238 CMTBMWJTPZWGDY-UHFFFAOYSA-N 269.255 1.617 0 50 CDAA COc1cc(CNC(=O)[C@H]2C[C@@H]2C)ccc1C(=O)O 237355330 RWDYDCPSZUKMMB-KWQFWETISA-N 263.293 1.666 0 50 CDAA C[C@@H]1CN(C(C)(C)CNCc2ncc[nH]2)C[C@@H](C)O1 237498149 BUVFLGPYMAINPY-VXGBXAGGSA-N 266.389 1.387 0 50 CDAA N=c1[nH]c(C2CC2)ncc1C(=O)N[C@H]1CC12CCOCC2 333988018 HTRUHBXQXYQYJO-NSHDSACASA-N 288.351 1.065 0 50 CDAA CO[C@H]1CN(C(=O)c2cc3sccc3[nH]2)CC[C@H]1N 71757256 UELSWWZFLINJRK-KCJUWKMLSA-N 279.365 1.418 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCN[C@@H](C)C1)C2 237773049 OLKCDDOWNZCUJD-SWLSCSKDSA-N 274.364 1.427 0 50 CDAA CCNc1nc(C)c(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)s1 77421967 BLTPEPRRRXZTCQ-WDEREUQCSA-N 294.424 1.659 0 50 CDAA CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C(=O)O 263080379 KYURGHPFDVQAGT-UBHAPETDSA-N 299.273 1.284 0 50 CDAA CCC(CC)NCCNc1nc(O)c2cnn(C)c2n1 521398675 YLPMXYHCPCTDLO-UHFFFAOYSA-N 278.360 1.259 0 50 CDAA CC(C)(C)OC(=O)NC[C@@H]1CCN(C[C@@H]2CCC(=O)N2)C1 242302335 YRMIXWNIPSHKPC-RYUDHWBXSA-N 297.399 1.112 0 50 CDAA CC(C)Oc1nccnc1N1CCC[C@@H](CO)CC1 338840484 GENFHFSVYDUHQG-GFCCVEGCSA-N 265.357 1.863 0 50 CDAA CCOc1nnc(CN2CC[C@]3(CCCN(C)C3)C2)s1 339427427 UPABHJBEUSDUIF-AWEZNQCLSA-N 296.440 1.855 0 50 CDAA CCN(CC)c1nc(NCCO)c2ccccc2n1 41150023 DSNXAXMHFVTMPS-UHFFFAOYSA-N 260.341 1.880 0 50 CDAA CC(C)(C(=O)NCc1ccc(-c2nnn[nH]2)cc1)C1CC1 287256460 BUKDBHWPNUIIKP-UHFFFAOYSA-N 285.351 1.919 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)Cc1cccc(F)c1 222865679 UALFEEAZTXVLKB-CHWSQXEVSA-N 267.300 1.288 0 50 CDAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cc1ccn[nH]1 176597795 ANKVUZNBNDDKEU-GFCCVEGCSA-N 284.363 1.819 0 50 CDAA Cc1nc(O)cc(CNC(=O)c2cccc3cccnc23)n1 426489668 PFAPDBBYWONHNL-UHFFFAOYSA-N 294.314 1.969 0 50 CDAA CNC(=O)c1cccc(-c2ccc3c(c2)OCO3)n1 426515480 FFXBISYLGQBFEK-UHFFFAOYSA-N 256.261 1.837 0 50 CDAA CC(C)N1CCC(C(=O)N(C)Cc2ncc[nH]2)CC1 95372041 KSVLMTGPRIUHNZ-UHFFFAOYSA-N 264.373 1.489 0 50 CDAA c1c([C@H]2CCOC2)nnn1Cc1n[nH]c2c1CCCCC2 91987807 DXOJMLDCCUQMFO-NSHDSACASA-N 287.367 1.822 0 50 CDAA Cn1ccnc1CN1CC[C@@H](Cc2cccc(CO)c2)C1 91624779 VEBSNVKUAGULII-HNNXBMFYSA-N 285.391 1.977 0 50 CDAA CN[C@@H](C)C(=O)NCc1c(C)ccc2ncccc12 244866647 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514649114 ZIVCDSDRZLICLZ-UHFFFAOYSA-N 273.292 1.252 0 50 CDAA CC(=O)N[C@H]1C(=O)N(Cc2cccc(F)c2)N=C1C 634590386 XVUKIHFOZSPPKD-GFCCVEGCSA-N 263.272 1.049 0 50 CDAA CC(C)(C)n1ncn(CCO[C@@H]2CCCCO2)c1=O 170620308 PMGBPGVSTYMVCT-LLVKDONJSA-N 269.345 1.343 0 50 CDAA CC(C)c1[nH]ncc1C(=O)NCc1ccnc(N(C)C)c1 170607920 QAFTYKASCCXIRV-UHFFFAOYSA-N 287.367 1.924 0 50 CDAA Cn1ccnc(-n2nc(C(F)(F)F)c3c2CCCC3)c1=O 634614493 DLDWGWZFSRBEGQ-UHFFFAOYSA-N 298.268 1.864 0 50 CDAA CN(CC1(N(C)C)CCC1)C(=O)NCc1ccnn1C 189663931 JBLOZOLVYHZHTF-UHFFFAOYSA-N 279.388 1.046 0 50 CDAA C[C@@H]1CN(C[C@@H](O)COc2ccccc2Cl)C[C@H]1CO 190877311 ZQKVWVGKRUPDFC-FRRDWIJNSA-N 299.798 1.640 0 50 CDAA OCc1cc(N2CCO[C@H]([C@@H]3CCCO3)C2)ncc1F 663709723 QWPBUELKDVKHFR-STQMWFEESA-N 282.315 1.097 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C/C=C/c1ccc(F)cc1 643764258 SHKSMEXDPQQCIG-ICTCPBKTSA-N 292.354 1.805 0 50 CDAA O=C(Cn1nnc(C2CC2)n1)N1CCCc2ccccc21 193726212 ZMRFNBCSWLZXAP-UHFFFAOYSA-N 283.335 1.530 0 50 CDAA O=c1[nH]ncn1Cc1nc(-c2ccc(F)cc2Cl)no1 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CC(C)n1[nH]cnc1=NC(=O)CCc1ccncc1 412912580 JXOJAHQRJYXSJK-UHFFFAOYSA-N 259.313 1.247 0 50 CDAA CC(C)(C)C(=O)NC[C@H](C[C@@H]1CCOC1)C(=O)O 725242450 GNYAHAZKWHRKND-UWVGGRQHSA-N 257.330 1.276 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)c1 228343379 HXWLYPWPIUOXIH-MNOVXSKESA-N 286.372 1.634 0 50 CDAA COCCNCC(=O)NCC12CC3CC(CC(C3)C1)C2 5094144 WYGSUDVJGGEMJI-UHFFFAOYSA-N 280.412 1.555 0 50 CDAA CN1CCO[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]21 230181010 RUCXTLUGYSUGFX-ZIAGYGMSSA-N 284.762 1.994 0 50 CDAA CN1C[C@@H](CN2CC(Oc3ccc(F)cc3)C2)CCC1=O 1775980487 BVZXEKPFYFGVDZ-LBPRGKRZSA-N 292.354 1.757 0 50 CDAA Cc1nccnc1N1CCN(CC(C)C)[C@@H](CCO)C1 1772703596 YKAYNNQEVKMNCX-AWEZNQCLSA-N 278.400 1.314 0 50 CDAA COc1ccc(C(=O)NCCCN2CCOCC2)cc1C 14292037 LEPDSQYUCKIUOJ-UHFFFAOYSA-N 292.379 1.456 0 50 CDAA COc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O 16622219 AEMNBKGUUJHSGB-UHFFFAOYSA-N 299.348 1.614 0 50 CDAA Cc1cn2nc(C(=O)N3CCC(C)CC3)cc2c(=O)[nH]1 206645257 FGMZAUIZAUAMGB-UHFFFAOYSA-N 274.324 1.203 0 50 CDAA CC[C@H]1C[C@@H](O)CC2(CCN(c3cnccn3)CC2)O1 1857668017 ZLLKHXVFUINWIP-OLZOCXBDSA-N 277.368 1.766 0 50 CDAA C[C@@H](C(=O)NC[C@@H]1CCC2(CCCCC2)O1)n1cncn1 332955764 HWXXOUYFDOZEFP-STQMWFEESA-N 292.383 1.837 0 50 CDAA O=C1C[C@H](c2ccc(-c3nc[nH]c4ncnc3-4)cc2)CN1 1875246117 IPFYTMKZQLUJBN-NSHDSACASA-N 279.303 1.575 0 50 CDAA O=C(c1ncccc1F)N(CCCO)Cc1ccccn1 614310520 UUKMQDRMEDQIOL-UHFFFAOYSA-N 289.310 1.641 0 50 CDAA C[C@@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@@]1(C)CO 620452640 WSTNHGZECVYGIU-BMIGLBTASA-N 289.335 1.760 0 50 CDAA O=C(NCc1ccco1)N1CCCN(C(=O)C2CC2)CC1 121920690 CBWAPXVWRQDNHR-UHFFFAOYSA-N 291.351 1.434 0 50 CDAA CCn1ccnc(N(C)C[C@H]2CCc3nccn3C2)c1=O 328631623 RCWGGIKSRJLADH-GFCCVEGCSA-N 287.367 1.159 0 50 CDAA CCOC[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 236973727 RAKPVRMCNLGEMX-CJNGLKHVSA-N 288.391 1.586 0 50 CDAA Cc1ncc(-c2noc([C@@H]3C[C@H]3C3CC3)n2)c(=N)[nH]1 333215024 QMSUHSXNSKXVDM-DTWKUNHWSA-N 257.297 1.761 0 50 CDAA O=C(O)[C@@]1(C(=O)NC[C@H]2CCCCN2)CC=CCC1 656854095 REQOGBKIMDRDGH-RISCZKNCSA-N 266.341 1.056 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cccc3c2OCO3)C1 133981846 TZPJADKXHJFTAO-JTQLQIEISA-N 262.309 1.239 0 50 CDAA COC[C@@H]1C[C@@H](O)CN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585090546 IKNAXXHHLFALFS-PDWCTOEPSA-N 267.369 1.421 0 50 CDAA COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)ccc1Cl 263050027 DTFOVSLXFDLTBZ-DTORHVGOSA-N 283.711 1.942 0 50 CDAA Cc1ccc2snc(C(=O)N[C@H](C)C(=O)O)c2c1 901429091 NEVNSBPDNKLGNQ-SSDOTTSWSA-N 264.306 1.808 0 50 CDAA CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1 6744550 OZFUMQJEHVNFGR-MRVPVSSYSA-N 261.318 1.911 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1C(=O)/C=C(\C)C1CC1 818384683 MTOSFLZKEABVET-GDXASINISA-N 280.368 1.096 0 50 CDAA Cc1nc([C@@H]2CCN(c3cc(Cl)nnc3O)C2)n[nH]1 872573328 XRIQABJJHQPZNP-SSDOTTSWSA-N 280.719 1.256 0 50 CDAA Cc1cc(CN=c2nc(C(F)(F)F)cc(C)[nH]2)cc(=N)[nH]1 1875274911 NQKKNWWBMJZRPW-UHFFFAOYSA-N 297.284 1.954 0 50 CDAA COCc1ccnc(NC(=O)N[C@@H]2CO[C@H](C3CC3)C2)n1 1875296648 HEEIOSPQEFXVOV-RYUDHWBXSA-N 292.339 1.312 0 50 CDAA CN1CCc2c(sc(NC(=O)CC3CC3)c2C(N)=O)C1 1875325856 VNUDWLMNXOHVCI-UHFFFAOYSA-N 293.392 1.574 0 50 CDAA Cc1nc2c(OC[C@@H]3C[N@]3CC3CC3)cccc2n(C)c1=O 1875381501 XHYWVZQNXIWVFG-RBZFPXEDSA-N 299.374 1.715 0 50 CDAA O=S(=O)(Nc1cnc2c(c1)OCO2)c1ccccc1 1875332698 FTIWYMDWZPSUAW-UHFFFAOYSA-N 278.289 1.611 0 50 CDAA N=c1[nH]c2ccc(C(=O)NCC3CCCC3)cc2[nH]1 1875321805 WHTWQIYCFAFJFR-UHFFFAOYSA-N 258.325 1.895 0 50 CDAA CC(=O)NCC(=O)N1C[C@@H](c2ccccc2)CC1(C)C 885238884 IXMWMQOMCTYWMU-AWEZNQCLSA-N 274.364 1.917 0 50 CDAA CC(=O)N1C[C@H](NC2CCOCC2)CC[C@@H]1C(F)(F)F 886035960 VHNGPFKOKFXURP-VXGBXAGGSA-N 294.317 1.697 0 50 CDAA Cc1nonc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 886068611 YIWVSBKLODAWHK-TZMCWYRMSA-N 287.319 1.886 0 50 CDAA Cc1nc2cccc(-c3noc([C@]4(N)CCN(C)C4)n3)c2[nH]1 888078083 NBFDWNMRLQGZEM-HNNXBMFYSA-N 298.350 1.411 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CN[C@]2(CCCOC2)C1 1772715820 UQLZRGZGQKILRK-ZWNOBZJWSA-N 256.346 1.422 0 50 CDAA CC(C)COC(=O)N1CCCN(CC(C)(C)CO)CC1 1775988418 AQSLXRVMTMCLCJ-UHFFFAOYSA-N 286.416 1.805 0 50 CDAA CN(Cc1cnc[nH]1)C(=O)[C@H]1NCCOc2ccccc21 1775960792 MGIAKIVSSGGVNT-AWEZNQCLSA-N 286.335 1.091 0 50 CDAA O=C(NCCC1=CCCCC1)C(=O)NCc1ccncc1 37868742 GPNMQVBAVYLTEM-UHFFFAOYSA-N 287.363 1.705 0 50 CDAA Cc1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cnn1C 252430606 AEWHKOIZLDCEAA-GAIPPQHRSA-N 275.308 1.190 0 50 CDAA C[C@@H]1OCC[C@@H]1NC(=O)NCc1ccc(C(=O)O)cc1 156586170 QAPLAKNLFHHSNS-CABZTGNLSA-N 278.308 1.361 0 50 CDAA C[C@@H]1COCC[C@H]1NCc1ccc(S(C)(=O)=O)cc1 191752811 MDAWBTPEJDIOLW-BXUZGUMPSA-N 283.393 1.605 0 50 CDAA O=C(O)c1cnc(NCCN2CCCCC2=O)c(Cl)c1 405408868 KYEASRCTOJBAIM-UHFFFAOYSA-N 297.742 1.858 0 50 CDAA CO[C@H](CNC(=O)[C@@H]1CCN[C@H]1C)c1ccccc1 517365662 IYOISFIYDOXGQZ-IACUBPJLSA-N 262.353 1.488 0 50 CDAA CCn1cc(CN(C)C(=O)c2sc(=N)[nH]c2C)c(C)n1 426433667 ONOZPUYVXWTLDS-UHFFFAOYSA-N 293.396 1.661 0 50 CDAA O=C(CC1CCNCC1)NCc1ccc2nc[nH]c2c1 584892858 BOVNTDZNHLKPBA-UHFFFAOYSA-N 272.352 1.569 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)NCCn1cnc(C)c1C 2100554744 BGHDIUYATYOZKF-LLVKDONJSA-N 284.429 1.085 0 50 CDAA COc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C 19933644 XIXRARMCTIDCFH-UHFFFAOYSA-N 274.368 1.329 0 50 CDAA COc1ccc(OCCCn2cnc3c(N)ncnc32)cc1 387707044 JBINZAJIMRYZCT-UHFFFAOYSA-N 299.334 1.886 0 50 CDAA COc1ccc(CN[C@H](CC(=O)O)CC(C)(C)C)nn1 2325789881 UAKRZNBIGXSENI-LLVKDONJSA-N 281.356 1.854 0 50 CDAA C[C@H](NC1=NC[C@@H]2CC[C@@H](C)CN12)c1ccn(C)n1 2325801475 KHBQEKXVJALPPL-WOPDTQHZSA-N 261.373 1.541 0 50 CDAA Cc1nn(C)c(=O)c(C(=O)N2C[C@H](C)S[C@@H](C)C2)c1C 119655048 QYORBTWCUMUHCW-IUCAKERBSA-N 295.408 1.363 0 50 CDAA Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)cn1 247279747 FVQRLRPNDADOAC-ZIAGYGMSSA-N 288.395 1.861 0 50 CDAA CCN1C(=O)N[C@@H](c2cccnc2)C(C(=O)OC)=C1C 67416 OLTVUSSSEQRDLG-LBPRGKRZSA-N 275.308 1.615 0 50 CDAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(O)c1 194277 ZWYQUQOTFJTIRZ-NEPJUHHUSA-N 261.277 1.998 0 50 CDAA in-vitro CC1=C(C(=O)N(C)C)[C@H](c2ccccc2F)NC(=S)N1 313584 QCBKFJWLWGPTAP-LBPRGKRZSA-N 293.367 1.707 0 50 CDAA Cc1cc(NC(=O)CCC(=O)Nc2cc(C)on2)no1 419458 RLINIVBWNNNYJM-UHFFFAOYSA-N 278.268 1.637 0 50 CDAA COC(=O)CCCNC(=O)N1CC(=O)Nc2ccccc21 8767993 BFVOJNGSPVXUCQ-UHFFFAOYSA-N 291.307 1.108 0 50 CDAA CC1(C)CN(C(=O)COCCOc2ccccc2)C[C@@H]1O 225738469 VNXICGRHDFNWAC-AWEZNQCLSA-N 293.363 1.311 0 50 CDAA O=C(NCCN1CCNCC1)Nc1cccc2ccccc12 22594668 WJEIGWDCBQHYGM-UHFFFAOYSA-N 298.390 1.867 0 50 CDAA CC[C@@H]1CCCCN1C(=O)[C@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1 408048181 LQVIFGSXPVRSBB-XJFOESAGSA-N 295.427 1.219 0 50 CDAA CC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)[C@H]1CCCN(C(N)=O)C1 247347528 KYYGKSMRVCLKJK-NNYUYHANSA-N 296.367 1.134 0 50 CDAA CCOc1ccnc(N(C)CCc2ccncc2)n1 65527855 GBZHNLCUACMWRQ-UHFFFAOYSA-N 258.325 1.949 0 50 CDAA CCC(=O)N(CC(=O)O)Cc1ccc(F)c(F)c1 348109729 UXUZOCQDHNOQJY-UHFFFAOYSA-N 257.236 1.788 0 50 CDAA O=C(O)C1=CNC=C(C(=O)O)C1c1ccc(O)cc1 22064720 GRHHJERTRXRMDA-UHFFFAOYSA-N 261.233 1.016 0 50 CDAA CNc1ncc(CN(C)C(=O)c2csc(C)n2)cn1 65366014 NQADAUYBOIMPLM-UHFFFAOYSA-N 277.353 1.555 0 50 CDAA CC(C)Oc1ccc(CCNC(=O)[C@H]2C[C@@H](N)C2)cc1 516927878 QJAHFINSFDZHFK-OKILXGFUSA-N 276.380 1.870 0 50 CDAA CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 186533 UXOPGXZTLNPMIR-KCJUWKMLSA-N 289.328 1.603 0 50 CDAA CC[C@H](C(=O)N[C@H]1CCCCC[C@H]1CO)N(C)C 252477454 OFDYGMKALQZFSO-RWMBFGLXSA-N 256.390 1.384 0 50 CDAA Cc1ccsc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)O 218937085 ZVFNAXZABVDUSB-NXEZZACHSA-N 299.348 1.045 0 50 CDAA C[C@H]1CN2CCCC[C@H]2CN1C(=O)COCC1CC1 253390635 QLQPAYDDKVQPOX-JSGCOSHPSA-N 266.385 1.498 0 50 CDAA CCOC(=O)[C@H](C)OC(=O)c1cccc(CN(C)C)c1 253424472 GSCAAFHEXQUOIO-NSHDSACASA-N 279.336 1.857 0 50 CDAA CCn1cnnc1[C@H]1CN(Cc2cccn2C)CCO1 328649369 VBAOPQHTMDNOAN-CYBMUJFWSA-N 275.356 1.210 0 50 CDAA CN1CCN(C(=O)c2ccoc2)C[C@@H]1c1ncc[nH]1 328637420 VYIBSIMGIQNZSK-LLVKDONJSA-N 260.297 1.132 0 50 CDAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1N[C@@H]1CCSC1 328616830 CCNQORANTCQEIV-DYEKYZERSA-N 281.425 1.962 0 50 CDAA C[C@H](CNC(=O)C(=O)c1cccn1C)Oc1cccnc1 216106473 UBQPQTXNTNACKE-LLVKDONJSA-N 287.319 1.187 0 50 CDAA CCn1cnnc1CN(C)Cc1cc(C(C)=O)cn1C 215041353 JIHWLYVRUPMDLA-UHFFFAOYSA-N 275.356 1.471 0 50 CDAA C[C@@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)[C@H]1CC1(C)C 328960219 PKCWLCKLKPBQLA-RTWAVKEYSA-N 290.411 1.716 0 50 CDAA O=C(c1ccc(-n2cccn2)c(F)c1)N1CCC[C@H]1CO 125193775 QCPUDDLYPBGHNH-LBPRGKRZSA-N 289.310 1.608 0 50 CDAA CCn1ccnc1C(=O)N1CCC[C@H](N2CCCCC2)C1 368276684 LYJLEQWSNGSQSC-AWEZNQCLSA-N 290.411 1.994 0 50 CDAA Cc1ccccc1OCCNC(=O)[C@H]1C[C@@H]1C(=O)O 262566485 BLMOZFRTNRAWRJ-QWRGUYRKSA-N 263.293 1.211 0 50 CDAA CCc1cccc(NC(=O)CN2CC[C@@H](n3cncn3)C2)c1 375319695 OWYRIPAKSZCTOJ-OAHLLOKOSA-N 299.378 1.726 0 50 CDAA C[C@H](C(=O)N1CCc2ccccc21)N1CC[C@](C)(CN)C1 261719825 NHGWDTXZMHDDBD-CXAGYDPISA-N 287.407 1.635 0 50 CDAA CC(C)n1nccc1C(=O)N[C@@H]1CCCC[C@H]1C(N)=O 126034656 VNTVNAIHENYPLM-GHMZBOCLSA-N 278.356 1.238 0 50 CDAA CCCc1n[nH]cc1C(=O)N(C)Cc1nncn1C(C)C 77390716 ZTSCBNUSCAIGSO-UHFFFAOYSA-N 290.371 1.807 0 50 CDAA Cc1nc(CC(=O)NCCCn2ccnn2)c(C)s1 182958281 IKLMVZIAQBDIIB-UHFFFAOYSA-N 279.369 1.100 0 50 CDAA Cn1cccc1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 376780517 VMYDLDJHYXYSPR-LBPRGKRZSA-N 289.379 1.432 0 50 CDAA CC(C)NC1CCN(C(=O)NCc2cnn(C)c2)CC1 171903985 PWIAGUIHVPGKHL-UHFFFAOYSA-N 279.388 1.092 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2COCCN2)C1 237579915 OKQAILGFMDASML-FMKPAKJESA-N 288.391 1.688 0 50 CDAA CCNC[C@H](O)COCCCN1CCC[C@H](C)C1 43061619 HPIOXBOTTXBOLI-KBPBESRZSA-N 258.406 1.095 0 50 CDAA O=C1N[C@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C[C@@H]2CO1 495979026 LKOFWULCLNHCRP-PWSUYJOCSA-N 289.335 1.463 0 50 CDAA Cc1ccsc1C(=O)N1CCOC[C@H](CN(C)C)C1 223583705 NGAZJZCXIKGJDP-GFCCVEGCSA-N 282.409 1.707 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1ccc(-c2cnc[nH]2)cc1 521396314 LDQRNPDOWPTMGO-ZDUSSCGKSA-N 271.320 1.986 0 50 CDAA O=C(Cc1ccn[nH]1)Nc1ccc2c(c1)NC(=O)CC2 173438060 YNVHRFGEEBKNTF-UHFFFAOYSA-N 270.292 1.476 0 50 CDAA Cc1nc(CC(=O)N(C)CC2(CO)CCOCC2)cs1 82086718 XDMTYYFFQQXBMN-UHFFFAOYSA-N 298.408 1.242 0 50 CDAA Cc1csc(CN(C)C(=O)c2n[nH]nc2C)n1 194151112 GIOMLAFASFXERH-UHFFFAOYSA-N 251.315 1.150 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCC(c2ccn[nH]2)CC1 175066429 ZBTLRQAYSNMQKK-HNNXBMFYSA-N 285.347 1.849 0 50 CDAA CCSCC(=O)N[C@@H](C)Cn1nc(C)cc1C 220605951 YUZABLBZMNYOGQ-JTQLQIEISA-N 255.387 1.758 0 50 CDAA CCOC(=O)c1cc(Cl)cn2c(C=O)cnc12 514266934 ULBHZBJBQWXISC-UHFFFAOYSA-N 252.657 1.977 0 50 CDAA Cc1cnccc1CNC(=O)CSCCN1CCCC1 223683905 UWEXTQYCDBCRKS-UHFFFAOYSA-N 293.436 1.835 0 50 CDAA COCC[C@H]1CCCN(C(=O)c2cc(=O)cc(C)[nH]2)C1 426475356 DSWNKSNEYGYWNW-GFCCVEGCSA-N 278.352 1.572 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1cc(F)cc(F)c1 177940799 QTZBDFUQDVOJQH-NXEZZACHSA-N 255.220 1.302 0 50 CDAA Cc1c(C(=O)N2CCSCC2)cnc2ccnn12 97632160 KLEBTTQPXNIHTB-UHFFFAOYSA-N 262.338 1.227 0 50 CDAA Cc1cnc2c(-c3nc([C@H]4CCOC4)no3)cnn2c1 96151291 FBLOKYFVUDKDGH-VIFPVBQESA-N 271.280 1.592 0 50 CDAA c1ccc(-n2cncn2)c(-c2nc([C@H]3CCOC3)no2)c1 96139192 XNLHWAAPNMOUGJ-JTQLQIEISA-N 283.291 1.821 0 50 CDAA CNc1ccnc(N2C[C@@H](C)[C@](O)(C3CCC3)C2)n1 91830439 RWFCQLOEMWCNMS-YGRLFVJLSA-N 262.357 1.506 0 50 CDAA CCN(CCCCO)c1nc2c(s1)c(C)nn2C 95522943 CHALFPDXHUUZCW-UHFFFAOYSA-N 268.386 1.937 0 50 CDAA C[C@@H]1CN(Cc2ccccc2C(=O)O)C[C@@]1(O)C1CC1 91563534 DKSVVUZMSVAOKD-BZNIZROVSA-N 275.348 1.978 0 50 CDAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)CNC1CC1 237498842 KLCHGXPTHKNMAB-GFCCVEGCSA-N 273.380 1.606 0 50 CDAA O=C(C[C@H](n1cccn1)C(F)(F)F)N[C@@H]1CCC[C@H]1O 616199149 WXJKWPSNICFZBB-BBBLOLIVSA-N 291.273 1.406 0 50 CDAA C1C[C@@H](c2nnc3n2CCC3)CN(CC2CCNCC2)C1 178980442 BORKZAYWQYYTFJ-CQSZACIVSA-N 289.427 1.403 0 50 CDAA CCC[C@@H]1CN(CCCn2cccn2)C[C@H]1C(=O)O 91644552 BJXHNJLHTNEXED-CHWSQXEVSA-N 265.357 1.706 0 50 CDAA CC[C@@H](O)Cn1ncnc1-c1cccc(COC)c1 96136400 VYBFSBKHMYRKCZ-CYBMUJFWSA-N 261.325 1.862 0 50 CDAA NC(=O)[C@@H]1CCCCN1C(=O)CCc1ccc2[nH]ccc2c1 179765901 LRRPJJITHABZKX-HNNXBMFYSA-N 299.374 1.967 0 50 CDAA CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]3C[C@@H]23)[C@H]1C(=O)O 242554656 MRYDRSPUGRYMMW-DCHHYWPUSA-N 250.294 1.707 0 50 CDAA Cn1cc([C@@H](Nc2ncnc3[nH]cnc23)[C@H]2C[C@@H](O)C2)cn1 244787726 QCMMPMXACUWUCG-GDPRMGEGSA-N 299.338 1.011 0 50 CDAA CN(C)Cc1ccc(CNC(=O)C[C@H]2CCOC2)cc1 342916851 UWMDTCRNILYJHT-OAHLLOKOSA-N 276.380 1.791 0 50 CDAA Fc1ccc2[nH]cc(CCN=c3ccc4nnnn4[nH]3)c2c1 342430263 QIZWCMIVMQRBEX-UHFFFAOYSA-N 297.297 1.216 0 50 CDAA CCCOc1ncc[nH]c1=NCc1cccnc1O 624703976 MYUGQVZCRBMOES-UHFFFAOYSA-N 260.297 1.400 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)C1(c2ccccc2F)CC1 299748356 HBUZTRFYMJKECL-SECBINFHSA-N 265.284 1.789 0 50 CDAA COc1ccnc(C(=O)NCC[C@@H]2CCOC2)c1 534666882 HRCSGIONLOBELP-SNVBAGLBSA-N 250.298 1.247 0 50 CDAA Cc1noc(-c2cncnc2N2CCSCC2)n1 263618768 VKRWHBJEZPAFEF-UHFFFAOYSA-N 263.326 1.388 0 50 CDAA CCN(C)S(=O)(=O)NCc1nn(CC)c2ccccc12 534659721 QJXPESOUGQMIKC-UHFFFAOYSA-N 296.396 1.342 0 50 CDAA Cc1cc(C)n(CCCC(=O)NCc2nnc(N)s2)n1 534631722 TTXIQDIHFVJANC-UHFFFAOYSA-N 294.384 1.030 0 50 CDAA O=C(c1ccoc1)N1CCCN(Cc2ncc[nH]2)CC1 369387797 ZVBWVHGBJJMSTE-UHFFFAOYSA-N 274.324 1.351 0 50 CDAA NC(=O)[C@H]1CCCCN1Cc1cccc2c1CCOC2 639444382 AEZKCGHGNOTHKP-OAHLLOKOSA-N 274.364 1.599 0 50 CDAA Cn1cc(Cl)cc1C(=O)N[C@H]1CCC[C@@H](CO)C1 298526800 WYVRHGJKMUQQMU-KOLCDFICSA-N 270.760 1.959 0 50 CDAA CC(C)CN1CC[C@@H](CN(C)C(=O)c2csnc2N)C1 299785047 LSXVNFWSVHZQKS-NSHDSACASA-N 296.440 1.775 0 50 CDAA Cc1nonc1CC(=O)NCc1ccc2c(c1)CCCO2 299792992 IFPPIEZDHZTQHY-UHFFFAOYSA-N 287.319 1.562 0 50 CDAA Cc1noc(C)c1CNC(=O)c1cc(-c2ccc[nH]2)[nH]n1 643919602 IWTUORYGTAOGJQ-UHFFFAOYSA-N 285.307 1.940 0 50 CDAA Cc1cc(=NCCCOC2CCN(C)CC2)cc[nH]1 823764843 KVSFCEWBYZDVRH-UHFFFAOYSA-N 263.385 1.725 0 50 CDAA Cc1nn[nH]c1C(=O)N(C)CCCc1c(C)n[nH]c1C 584887040 OYBWLNIKSIJPPE-UHFFFAOYSA-N 276.344 1.158 0 50 CDAA COC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 1073280154 FKUIURMIRNRVEZ-KOLCDFICSA-N 295.364 1.332 0 50 CDAA CCOC(=O)N1CC[C@H](NCCn2nc(C)c(C)c2C)C1 670462976 WMOMOIQFPAOPHR-AWEZNQCLSA-N 294.399 1.629 0 50 CDAA CC[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@@H]1N(C)C 685939523 JYZXTYZNUKKJFX-SNPRPXQTSA-N 288.391 1.961 0 50 CDAA CC(C)n1ccnc1C(=O)N1CC[C@H](OC(=O)N(C)C)C1 952883156 YHSCSTUAWXCVDR-NSHDSACASA-N 294.355 1.377 0 50 CDAA Cc1c(NC(=O)[C@@H]2CCOC2)cccc1-c1nncn1C 952872721 BOZWMDJNFZPZAQ-LLVKDONJSA-N 286.335 1.766 0 50 CDAA COCc1cccc(C(=O)N2CCC(CN)CC2)c1 237221936 QOWHYJAXHSWGPP-UHFFFAOYSA-N 262.353 1.644 0 50 CDAA CCOC(=O)c1ccc2cc(C(=O)OCC)[nH]c2n1 91690694 FYIUVILNUXZUPQ-UHFFFAOYSA-N 262.265 1.916 0 50 CDAA in-vitro CCc1nsc(N[C@@H](C)CO[C@@H]2CCOC2)n1 301578810 RPFGFOYXSDYJTN-DTWKUNHWSA-N 257.359 1.706 0 50 CDAA Cc1c[nH]cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1=O 408169902 TVINZOAZNAHYMW-LLVKDONJSA-N 286.335 1.426 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CCN1 188469604 DYNRUPVTTGUAIY-GFCCVEGCSA-N 297.358 1.680 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@H]1COc2ccccc2C1=O 188678987 HQQXTKXNHPZXMC-ZDUSSCGKSA-N 299.330 1.329 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](C(C)(C)O)C1 721862990 MKESQONUUJYTPH-LLVKDONJSA-N 265.357 1.188 0 50 CDAA C[C@@H]1CN(Cc2nnc([C@@H]3CCCOC3)o2)C[C@@]1(C)CO 662143652 PYCGHAHILSAYJA-JMSVASOKSA-N 295.383 1.414 0 50 CDAA C[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1ccnn1C 192999091 GYLZDXGUTZVGAJ-STQMWFEESA-N 286.383 1.530 0 50 CDAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@]1(C(=O)O)CC=CCC1 653308500 LZBTVRFRDXRTBA-DVOMOZLQSA-N 292.379 1.493 0 50 CDAA C[C@H](CC(=O)NCC(C)(CO)CO)Cc1cccc(F)c1 568568233 LZOVBNKRPYNLGK-LBPRGKRZSA-N 297.370 1.502 0 50 CDAA Cc1nnc(N2CCN(C)C(=O)C2)c2ccccc12 1163635315 JCWJFFKDPKJLTI-UHFFFAOYSA-N 256.309 1.217 0 50 CDAA CCN(C)c1cc(N[C@@H](CCSC)C(=O)O)ncn1 1704337385 RVSUFNQXZFLMCC-VIFPVBQESA-N 284.385 1.551 0 50 CDAA Cc1cc(C)c(CC(=O)N[C@H]2C[C@@H](N)C23CCC3)c(O)n1 1615555270 PIKHMABVYFMFQY-OLZOCXBDSA-N 289.379 1.333 0 50 CDAA CCN1CCN(C(=O)c2c(C)noc2C)C[C@@]12CCOC2 1615588943 HXGJQCLKPRULRU-OAHLLOKOSA-N 293.367 1.228 0 50 CDAA COc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1OC 209644 MXATUNZBBVVKIE-LBPRGKRZSA-N 279.336 1.542 0 50 CDAA biogenic CCc1nc(N(C)C[C@H]2CC(=O)N(C(C)(C)C)C2)no1 1506422069 OIIZZXVBOZUQSI-SNVBAGLBSA-N 280.372 1.715 0 50 CDAA CCN(Cc1cncn1CCOC)C[C@@H]1CCCO1 1506416679 FROJLLHMTILUKJ-AWEZNQCLSA-N 267.373 1.530 0 50 CDAA CN(C)c1ccnc(N[C@H]2CCC[C@@H](CO)C2)n1 1506422095 OMPAPMAJPNCHIK-MNOVXSKESA-N 250.346 1.506 0 50 CDAA Cc1ncnc(C)c1C(=O)Nc1cnn2c1NCCC2 1529112620 PXNBCTMANIUYRN-UHFFFAOYSA-N 272.312 1.358 0 50 CDAA CC(C)N(C)C(=O)C(=O)Nc1cccc2nonc12 328596564 CTCNTQLHGNGLJF-UHFFFAOYSA-N 262.269 1.028 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1c1ccccc1 213312243 SNEIZHMHXURNAF-OLZOCXBDSA-N 284.315 1.955 0 50 CDAA Cc1csc(S(=O)(=O)N[C@@H]2CCNCC2(C)C)c1 334995282 ZLVLFCFZGRUNLA-SNVBAGLBSA-N 288.438 1.723 0 50 CDAA CCOc1cncc(N2C[C@H](COC)OC(C)(C)C2)n1 570746445 UXSSBIJGWQPTMQ-LLVKDONJSA-N 281.356 1.506 0 50 CDAA COc1cc(C(=O)Nc2nc[nH]n2)cc(OC)c1OC 3156727 UKTGCOQMSWHSFW-UHFFFAOYSA-N 278.268 1.083 0 50 CDAA Cc1nc(C(C)(C)NC(=O)[C@@H](C)CN)sc1C 262404163 PWZQULJMACWKJE-ZETCQYMHSA-N 255.387 1.706 0 50 CDAA Cc1nn2c(O)nc3sc4c(c3c2nc1=O)CCCC4 4015245 ZMKXBSGOFAPTDV-UHFFFAOYSA-N 288.332 1.592 0 50 CDAA Cc1cc(C)n(CCCNC(=O)c2ccnnc2)n1 153886355 MLISXGYIDJYCPB-UHFFFAOYSA-N 259.313 1.110 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@H]2CN1c1ncc(Cl)cn1 1772706900 VCXPNNWGCPCITE-SCZZXKLOSA-N 266.732 1.330 0 50 CDAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCO 11566259 SGKNYPCJUINLJM-UHFFFAOYSA-N 293.772 1.318 0 50 CDAA COc1ccnc(N)c1I 14400920 QBPYHICVLNIUPW-UHFFFAOYSA-N 250.039 1.277 0 50 CDAA CCCNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 16622003 OPWDIIFZRDJTDX-UHFFFAOYSA-N 273.310 1.082 0 50 CDAA CCOC(=O)C[C@H]1C(=O)Nc2nc3ccccc3n21 169681470 CDJDNYDEOLOBSC-JTQLQIEISA-N 259.265 1.483 0 50 CDAA COc1ccccc1NC(=O)C[C@H](C(=O)O)N(C)C 4264037 ZWPCYGIILHIIJO-SNVBAGLBSA-N 266.297 1.039 0 50 CDAA Cc1cccc(CC(=O)N2CCN(c3ncccn3)CC2)c1 6741035 WIOFRFCRCNPOSS-UHFFFAOYSA-N 296.374 1.676 0 50 CDAA N=C(N)SCc1cccc(CSC(=N)N)c1 3845292 DIGHKECBEKWSOP-UHFFFAOYSA-N 254.384 1.940 0 50 CDAA Nc1cccc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)n1 1857728747 BKHUXYWNNXDQFI-UHFFFAOYSA-N 297.362 1.505 0 50 CDAA Cc1noc([C@H]2CN(Cc3cccnc3C)CCN2C)n1 332364572 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CC(C)COc1ccc(S(=O)(=O)N2CC=C(N)N2)cc1 887556480 TTWMNUBXRLSXHV-UHFFFAOYSA-N 297.380 1.030 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CN[C@]2(CCCOC2)C1 1772715818 UQLZRGZGQKILRK-GXFFZTMASA-N 256.346 1.422 0 50 CDAA COc1cnc(C(=O)N[C@H]2CCn3cncc32)c(F)c1 898811175 SHPBUVLPHZGGGE-JTQLQIEISA-N 276.271 1.301 0 50 CDAA C[C@H](N)[C@@H](C)C(=O)N1CCO[C@@H](c2cccs2)C1 249018860 KNRHXPRXHHUKOF-OUAUKWLOSA-N 268.382 1.631 0 50 CDAA Cc1cc(CN(C)C[C@@H]2COc3ccccc3O2)n[nH]1 19866220 JJWSAOIEPNVKCK-CYBMUJFWSA-N 273.336 1.990 0 50 CDAA O=C(O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)o1 271946682 XWLYUXLXLLHNGZ-AEJSXWLSSA-N 279.292 1.665 0 50 CDAA CCC(CC)(CNC(=O)N1CCC[C@H](O)CC1)C(=O)O 262022927 YIRYQRFPIPQFMX-NSHDSACASA-N 286.372 1.434 0 50 CDAA Cc1n[nH]c(C)c1CCCN[C@H]1CCNC1(C)C 67756357 OKIKBJTWSHRQDW-ZDUSSCGKSA-N 250.390 1.689 0 50 CDAA O=C(O)[C@@H](CNC(=O)[C@H]1CCCCO1)CC1CC1 405442290 VVXGVOUZTJWQBE-GHMZBOCLSA-N 255.314 1.173 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)[C@@H]1CCCC[C@@H]1O 328625508 DFESCKJDVGYFHD-MJBXVCDLSA-N 263.385 1.681 0 50 CDAA CC1(CN2CCC[C@@]3(CCNC3)C2)CCOCC1 426722439 MYVIQARGXNCWTN-HNNXBMFYSA-N 252.402 1.879 0 50 CDAA Cn1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S 6083204 IIVXJFLMHILXAK-UHFFFAOYSA-N 273.321 1.236 0 50 CDAA CNC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 2325727204 QNLUGKYRWXLYQL-GFCCVEGCSA-N 255.321 1.859 0 50 CDAA CCc1ncc(CN2CCN(C[C@@H]3CCCO3)CC2)[nH]1 2325788414 DKHDVSDMEDMJSE-AWEZNQCLSA-N 278.400 1.269 0 50 CDAA Cc1cn2cc(CC(=O)Nc3cnc(C)n3C)nc2s1 2325790127 PKDRPNZCLYKMJZ-UHFFFAOYSA-N 289.364 1.927 0 50 CDAA Cc1cncc(S(=O)(=O)NC(=O)c2sccc2C)c1 2325806514 HOPJYZUXXLORDC-UHFFFAOYSA-N 296.373 1.879 0 50 CDAA Oc1cccc(-c2nc(O)c3cc(O)c(F)cc3n2)n1 2325816040 LFCCYWVUXAPVHP-UHFFFAOYSA-N 273.223 1.948 0 50 CDAA CN(C)S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 394968 YTXJRMFOPUQURY-UHFFFAOYSA-N 269.153 1.826 0 50 CDAA CCOC(=O)N1CCN(C(=O)CCc2ccccc2)CC1 468223 FGMMBSBCVOIRKG-UHFFFAOYSA-N 290.363 1.920 0 50 CDAA Cc1ccc2cc(S(=O)(=O)NCCC(=O)O)ccc2c1 1050098 RVPUKQLGBNQMQA-UHFFFAOYSA-N 293.344 1.901 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)s1 2620230 OACZNBYRQPECEM-SECBINFHSA-N 289.378 1.684 0 50 CDAA CCCc1nnc2n1[C@@H](Cc1ccccc1)C(=O)N(C)C2 2356145788 IESUUFFHPCKNHZ-ZDUSSCGKSA-N 284.363 1.986 0 50 CDAA C[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 2966078 JUXSIWSJJSZUKD-LLVKDONJSA-N 286.331 1.541 0 50 CDAA CC(C)(C)OC(=O)NCCN1CCc2ccnc(O)c2C1 225420892 LDOLBHQMVCRBLJ-UHFFFAOYSA-N 293.367 1.670 0 50 CDAA CN(C)C(=O)CN(C)C(=O)c1ccc(NCC2CC2)nc1 225702782 QUZOLRSIVVRLNQ-UHFFFAOYSA-N 290.367 1.064 0 50 CDAA COC(=O)Cc1occc1C(=O)N1C[C@@H](C)[C@@H](C)C1 225808774 HNLWYEDXYCPVQY-AOOOYVTPSA-N 265.309 1.723 0 50 CDAA O=C(O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100824706 NIGPPPVPMJYXFY-YRRQLQLVSA-N 283.283 1.696 0 50 CDAA CC1(C)[C@H](N2CCOCC2)[C@@H](c2ccccc2)S1(=O)=O 22015733 NUXDPLRUKDWICZ-ZIAGYGMSSA-N 295.404 1.636 0 50 CDAA Cc1cc(CNC(=O)c2ccnc(C(=O)O)c2)on1 137164880 VWZNPZPBGRYMLX-UHFFFAOYSA-N 261.237 1.006 0 50 CDAA Cc1cc(C)n(NC(=O)[C@H]2CC(=O)c3ccccc32)c(=O)c1 67973785 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329362186 HEMLWUURDXCIOV-LBPRGKRZSA-N 281.356 1.052 0 50 CDAA C[C@@H]1COCCN(C(=O)c2ccnc(OC(F)F)c2)C1 450224279 UFZUSPDCRTVPGR-VIFPVBQESA-N 286.278 1.792 0 50 CDAA N[C@H](C(=O)N1CC[C@H](Oc2ccncc2)C1)c1ccccc1 238007276 NSFLNLXBHCDOCR-HOTGVXAUSA-N 297.358 1.761 0 50 CDAA CC[C@H]1CN(CCO)CCC(=O)N1Cc1ccccc1 71752641 JPQILORLYIZRTE-HNNXBMFYSA-N 276.380 1.492 0 50 CDAA O[C@@H](c1ncc[nH]1)C1CCN(Cc2cccnc2)CC1 364964202 VVJFFJACMSTTIS-CQSZACIVSA-N 272.352 1.750 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC[C@]1(CO)Cc1ccccc1 365150310 JJUFTOJZKXYIOE-QGZVFWFLSA-N 299.374 1.548 0 50 CDAA O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccc(CO)c(F)c1 367113536 KFUXOWJWOGXLDH-LBPRGKRZSA-N 289.310 1.328 0 50 CDAA OC[C@@]1(F)CCN(c2cccc(-n3ccnc3)n2)C1 374685821 GBNJWTUWCUGJKS-CYBMUJFWSA-N 262.288 1.178 0 50 CDAA CCC[C@@H]1COCCN1C(=O)Cn1ccnc1CC 71747283 QEOVYFVUWVKOHV-GFCCVEGCSA-N 265.357 1.473 0 50 CDAA COc1cc2c(cc1CNC(=O)C[C@H]1CCNC1)CCC2 216485527 ATYWOCKLVXZYIN-GFCCVEGCSA-N 288.391 1.800 0 50 CDAA Cc1nc(CC(C)C)c(C(=O)NCC(=O)O)s1 262703289 LOWZMARJRHPEDF-UHFFFAOYSA-N 256.327 1.464 0 50 CDAA O=C(c1cncnc1C1CC1)N1CCC[C@H](n2ccnn2)C1 333318610 UAUGOWUBCNDUAY-LBPRGKRZSA-N 298.350 1.423 0 50 CDAA CCN(CCn1cccn1)C(=O)c1cncc(F)c1 219556385 CAVVTRZAPXROMP-UHFFFAOYSA-N 262.288 1.580 0 50 CDAA c1ccc(OCCCN2CCOCC2)c(CN2CCC2)c1 215146684 HHVJFAVVROYVIY-UHFFFAOYSA-N 290.407 1.993 0 50 CDAA N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2ccncc2)on1 128865490 QUUWUKPVYLTBKH-VXGBXAGGSA-N 286.335 1.736 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1c(C)noc1C 220568038 WDALEMBUMWYPQW-BTQDYEIMSA-N 294.351 1.000 0 50 CDAA O=c1c2ccsc2ncn1CCN1CCCC[C@H]1CO 43144638 FDXZFQVQXGKFHF-NSHDSACASA-N 293.392 1.305 0 50 CDAA CO[C@H]1CNC[C@@H]1NC(=O)CCC(=O)c1ccc(C)s1 241383496 MVTZZNTZGIGHKQ-JQWIXIFHSA-N 296.392 1.122 0 50 CDAA CN(CC(=O)Nc1cccnc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 241644549 PRQQPRIPAUFXED-NWANDNLSSA-N 289.379 1.765 0 50 CDAA COCc1ncsc1C(=O)N1CCOCC1(C)C 283970736 OLQLSMKYDRFBKF-UHFFFAOYSA-N 270.354 1.541 0 50 CDAA CC[C@H](COC)NC[C@@H]1CCO[C@H]1c1ccnn1C 328651777 WATGWGDEJFHAQQ-OUCADQQQSA-N 267.373 1.512 0 50 CDAA CC(C)n1cc([C@@H]2CN(Cc3cc[nH]n3)C[C@H]2CO)cn1 284759466 ZUDMFDDNSOCIRL-ZFWWWQNUSA-N 289.383 1.395 0 50 CDAA CC(C)Cn1ncc(C(=O)N(C)[C@H](C)C(=O)O)c1C1CC1 263575801 POXNNDDRKMPYIB-SNVBAGLBSA-N 293.367 1.962 0 50 CDAA Cc1cnn([C@@H]2CCCN(C(=O)NCCCC(=O)O)C2)c1 263506653 XHYHWVFSFFUQOH-GFCCVEGCSA-N 294.355 1.403 0 50 CDAA CCOCC(=O)NCc1nc2cc(OC)ccc2o1 220530831 JRGZYBOZTLXYKN-UHFFFAOYSA-N 264.281 1.489 0 50 CDAA COCc1cc(=O)[nH]c(Nc2ccc(OC)c(OC)c2)n1 41597318 OQPALVHQCWHSHO-UHFFFAOYSA-N 291.307 1.677 0 50 CDAA Cc1cccc(C[C@H](C)NC(=O)N(C)Cc2cnccn2)n1 426360086 RBCIDJHOXJVWOV-ZDUSSCGKSA-N 299.378 1.953 0 50 CDAA O=C(CCn1cncn1)N1CC[C@H]1c1ccc(F)cc1 222472494 UBVSXLDKOIZVQG-ZDUSSCGKSA-N 274.299 1.781 0 50 CDAA COc1ncc(C(=O)NCc2nc3ccccc3n2C)cn1 426612435 LTTCYEZUKSXWKO-UHFFFAOYSA-N 297.318 1.302 0 50 CDAA Cc1cnc(CN2CC3(CCOCC3)CC[C@@H]2CO)nc1 528645783 PXASVUOEXNCLEI-CQSZACIVSA-N 291.395 1.539 0 50 CDAA CN1C(=O)CN(C[C@H]2CCCCO2)C(=O)c2ccccc21 95504422 ILOPZHFHONSZDR-GFCCVEGCSA-N 288.347 1.674 0 50 CDAA O=C(C[C@@H]1CCOC1)NCc1ccc2c(c1)CCO2 426690275 JYTRIRSIBKSHJW-LBPRGKRZSA-N 261.321 1.664 0 50 CDAA Cn1ccnc1-c1nc2c([nH]1)CC(C)(C)CNC2=O 95362754 GMQSSEMVENSVJI-UHFFFAOYSA-N 259.313 1.122 0 50 CDAA CC[C@@H](O)Cn1nc(C)nc1CSc1ncccn1 95515137 ZGDBGGYOCSAVSS-SNVBAGLBSA-N 279.369 1.440 0 50 CDAA Cc1cc2nc(-c3nc([C@@H]4CCOC4)no3)cc(C)n2n1 96133629 BOPSQEFUXWBKSG-SNVBAGLBSA-N 285.307 1.900 0 50 CDAA C[C@@H](C(N)=O)[C@H](N)c1nc2cc(C(C)(C)C)ccc2[nH]1 143812640 APWZIFIAVVFPNT-PELKAZGASA-N 274.368 1.982 0 50 CDAA investigational CC(C)(C)OC(=O)N1CCn2cc(CO)nc2C1 146354706 DBEVOASWYWQEFC-UHFFFAOYSA-N 253.302 1.126 0 50 CDAA Cc1nnc(CCNc2ncc(F)c(N(C)C)n2)s1 91907711 BKPJQMWZVRDUTJ-UHFFFAOYSA-N 282.348 1.496 0 50 CDAA CC(C)Oc1cccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)n1 179109242 GCESPXPFXGMEFU-LLVKDONJSA-N 291.351 1.219 0 50 CDAA CN1C[C@H](NC(=O)NCCc2cccc(Cl)c2)CC1=O 267691861 QYMIIGPOPXORSX-GFCCVEGCSA-N 295.770 1.412 0 50 CDAA CCc1nc(CN(Cc2nccn2C)C2CC2)n[nH]1 244840357 ULLMMOSCCXGBMM-UHFFFAOYSA-N 260.345 1.265 0 50 CDAA CN(Cc1noc(C2CC2)n1)C(=O)C1(C)CCOCC1 622718765 JMDCPGSNKDFBFY-UHFFFAOYSA-N 279.340 1.722 0 50 CDAA COCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252527876 DOWXPHQMKSOMNY-ZENOOKHLSA-N 291.347 1.196 0 50 CDAA CC(C)C[C@@H](C)OCCC(=O)N1CCO[C@H](C(=O)O)C1 299747147 CCSNEBXCBUAECK-NEPJUHHUSA-N 287.356 1.140 0 50 CDAA COCC(C)(C)NC(=O)N1CCC[C@H](Cn2ccnc2)C1 534590046 PGXRRBKOAXUTSS-CYBMUJFWSA-N 294.399 1.730 0 50 CDAA Fc1cnc(=NC[C@H]2CCN(C3CCCC3)C2)[nH]c1 534648183 HKAYIDQVMCDHEO-LLVKDONJSA-N 264.348 1.714 0 50 CDAA CC(C)[C@H](CNC(=O)Cn1nc2ccccc2n1)N(C)C 534580360 IVKKDXSVMSYVIZ-AWEZNQCLSA-N 289.383 1.134 0 50 CDAA COc1cc(C(=O)NCCn2cc(C)cn2)ccn1 534666969 WCWDWVWWDMWXAH-UHFFFAOYSA-N 260.297 1.025 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)CC12COC2 218494696 DHBYWVJOFBIKRG-MRVPVSSYSA-N 257.286 1.097 0 50 CDAA CCN(Cc1cnn(CC)c1)C(=O)NC[C@H](C)N(C)C 534584239 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ZRWJBARQCWIZIE-LLVKDONJSA-N 275.352 1.745 0 50 CDAA CCS(=O)(=O)[C@@H](C)C(=O)N1CCC2(CCCC2)C1 584888207 BWZRAHCXVOEPFE-NSHDSACASA-N 273.398 1.602 0 50 CDAA CCc1ccc2ncn(C[C@H]3CCN(C)C3)c(=O)c2c1 584889379 SBMKKXWXLHVLFU-ZDUSSCGKSA-N 271.364 1.911 0 50 CDAA CC(C)(C)n1cc(C(=O)C(=O)Nc2ccnnc2)cn1 1334178502 CKTQGMKCDIMQIH-UHFFFAOYSA-N 273.296 1.250 0 50 CDAA O=C(Nc1cnn(Cc2cccnc2)c1)c1cccnc1 1338377526 DHONEQNITYNIQV-UHFFFAOYSA-N 279.303 1.974 0 50 CDAA CC[C@H](NC(C)=O)c1n[nH]c(COc2ccccc2)n1 952862221 NLQUFFJBSBDBGD-LBPRGKRZSA-N 274.324 1.971 0 50 CDAA Cc1ccc2sc(N3CC[C@H](S(N)(=O)=O)C3)nc2c1 1434435362 JCJSVEKZEQBFQF-VIFPVBQESA-N 297.405 1.472 0 50 CDAA CC(C)C(=O)N1CCC[C@H](NCc2cnc[nH]2)C1 952986185 XKEDSOGNUFZMGJ-NSHDSACASA-N 250.346 1.146 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(N2CCCC2)cc1 1565506405 ZRAAYPLKQLDFAW-GJZGRUSLSA-N 290.363 1.166 0 50 CDAA O=C([C@@H]1NCCOc2ccccc21)N1CCCC(F)(F)C1 1580490212 XOOUJOJVAAMEII-CYBMUJFWSA-N 296.317 1.967 0 50 CDAA CCC[C@H]1CN(C(=O)Cc2ccc(O)c(F)c2)C[C@@H]1N 91548243 BXGSPOPYDSXURS-AAEUAGOBSA-N 280.343 1.660 0 50 CDAA Cc1ccc([C@H](CC(=O)N[C@@]23COC[C@@H]2C3)C(=O)O)cc1 899836772 XZBNRHPTXNHDFE-XEZPLFJOSA-N 289.331 1.458 0 50 CDAA CC[C@@H]1C[C@H](NC[C@H](n2cncn2)C(F)(F)F)CCO1 631209125 AYIQRISYRMVBIR-MXWKQRLJSA-N 292.305 1.929 0 50 CDAA COc1ccc2c(c1)CCN2C(=O)[C@@H]1CCS(=O)(=O)C1 408049057 UVZNFQDMENHPQX-LLVKDONJSA-N 295.360 1.019 0 50 CDAA Cc1nc(C)c(C(=O)NC(C)(C)[C@@H](C)O)nc1C 408265997 WOOBJZMAIONKFJ-SNVBAGLBSA-N 251.330 1.291 0 50 CDAA C[C@@H]1CCN(C(=O)CC(C)(F)F)CCS1(=O)=O 408386362 RRMQRRFAWNSKOX-MRVPVSSYSA-N 269.313 1.067 0 50 CDAA COCCc1cc(NC(=O)[C@H]2CCCO[C@H]2C)n(C)n1 189528990 JNIYVFMKYWBWAR-JQWIXIFHSA-N 281.356 1.363 0 50 CDAA CCc1nn(C)c(CC)c1CNC(=O)[C@@H]1CCCO[C@@H]1C 189763431 WZFWDYGBBHQHCA-VXGBXAGGSA-N 293.411 1.976 0 50 CDAA OC[C@@H]1CC[C@H](CN[C@H]2CCCC23CCOCC3)O1 556207862 BBBWFKOLQOZKEU-RDBSUJKOSA-N 269.385 1.465 0 50 CDAA CN(C)c1nccc(=N[C@@H]2C[C@H](C(=O)O)c3ccccc32)[nH]1 649403761 RRIALKITYQLLPS-QWHCGFSZSA-N 298.346 1.690 0 50 CDAA CCCN(CC(=O)O)C(=O)c1c(C2CCC2)cnn1C 663025524 IINQGCFQGYYYGN-UHFFFAOYSA-N 279.340 1.624 0 50 CDAA O=S1(=O)CC[C@@H](c2cccc(Br)c2)N1 675082152 UUPMZOGYWHCLAP-VIFPVBQESA-N 276.155 1.813 0 50 CDAA CCOC[C@@H](O)CN1CC[C@@H](Oc2ccccc2)C1 195530314 WBIUPXVTPZEVTL-DZGCQCFKSA-N 265.353 1.537 0 50 CDAA CC(C)C[C@H](C)OC(=O)N1CC(C2CS(=O)(=O)C2)C1 585114584 KINSZMDARKQFBN-JTQLQIEISA-N 289.397 1.534 0 50 CDAA CNC1CC(C(=O)N(Cc2ccccn2)C2CC2)C1 693560947 JTVJLZURMHLCAS-UHFFFAOYSA-N 259.353 1.571 0 50 CDAA Cc1nscc1NC(=O)NCC1(C)OCCO1 1615585391 DSOJIKPAWJRPFK-UHFFFAOYSA-N 257.315 1.336 0 50 CDAA CC[C@@H]1C=CCN1C(=O)c1nc2ccccc2[nH]c1=O 1506427653 YGKGNBQPCRYETQ-SNVBAGLBSA-N 269.304 1.714 0 50 CDAA Cc1cccc(C[C@H](C)Nc2nc(N)c3cnn(C)c3n2)n1 1506414406 YPNQIVIMSCEICO-JTQLQIEISA-N 297.366 1.692 0 50 CDAA COCc1cc(CN[C@@H](C)Cn2nc(C)cc2C)[nH]n1 1506411233 XMKSYCPFPKASAV-NSHDSACASA-N 277.372 1.548 0 50 CDAA CN1Cc2ccc(CN(C)c3n[nH]c(=N)s3)cc2C1 1857670529 SKENHEUOULHVJG-UHFFFAOYSA-N 275.381 1.532 0 50 CDAA Cc1nc([C@@H]2CCCN(Cc3cncn3C)C2)no1 216302459 SMYIUOFSTHLWIZ-LLVKDONJSA-N 261.329 1.491 0 50 CDAA CCOCC(=O)N1C[C@H](c2ccc(C)o2)[C@@H](NC(C)=O)C1 212873998 QLFFPFTVFKBCMF-STQMWFEESA-N 294.351 1.055 0 50 CDAA CC(C)SCCN(C)C[C@@H]1CCCN(CCO)C1 1529102165 YWXJMWQXCFEVJS-AWEZNQCLSA-N 274.474 1.764 0 50 CDAA CC[C@@H](Nc1ncccc1C(=O)NC)c1ccnn1C 1529153527 DSHSLBOCTMDEID-LLVKDONJSA-N 273.340 1.738 0 50 CDAA Cc1cnc2c(C(=O)Nc3cn(C)nc3C)cnn2c1 1529139976 ZTHKSMATSIYWOB-UHFFFAOYSA-N 270.296 1.332 0 50 CDAA Cc1nc(N)nc(NCc2noc(C3CC3)n2)c1Cl 1529187479 TYDVCSDWOCPASP-UHFFFAOYSA-N 280.719 1.893 0 50 CDAA O=C(NN1CCOCC1)c1csc2ccccc12 1055389 XAXMXTJIJXSAIY-UHFFFAOYSA-N 262.334 1.878 0 50 CDAA C[C@@H](C(=O)O)n1nnc(-c2ccc(Br)cc2)n1 553964191 RTRPGUFUHOOUNR-LURJTMIESA-N 297.112 1.748 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc2ncccc2c1 223839784 DTQBOVYTXXMUND-ZIAGYGMSSA-N 272.304 1.114 0 50 CDAA Cc1cc(C(N)=O)c(N2CCC[C@@H](c3cc[nH]n3)C2)nc1C 1704340214 QCXXCUCMYNIRTC-GFCCVEGCSA-N 299.378 1.904 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@@H](CC2CC2)C(=O)O)CC1 1565505305 LPYYKIKFDRGFJJ-LBPRGKRZSA-N 298.383 1.792 0 50 CDAA CCCNC(=O)CN(C1CCCCC1)S(C)(=O)=O 2179532 ZVFQXQUQKBLMOK-UHFFFAOYSA-N 276.402 1.107 0 50 CDAA COC(=O)N1CCN(C[C@H]2CCC(=O)N(C(C)C)C2)CC1 1775983666 QQNFGSXMYXYPKG-CYBMUJFWSA-N 297.399 1.017 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1c1nc(-c2ccccc2)no1 1772712561 SKEWZWOYZGPFIQ-DGCLKSJQSA-N 298.346 1.936 0 50 CDAA O=C1NNC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 13551410 WCCPZQAFQNKUHF-STONLHKKSA-N 290.322 1.671 0 50 CDAA CCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 13583146 VTZBJAWDSCLLPR-UHFFFAOYSA-N 298.408 1.775 0 50 CDAA Cc1cc(=O)[nH]c2c1c(O)nn2[C@@H]1C[C@@H](C)N(C)C[C@H]1C 13739182 MVFIEUFRENOXDE-GMTAPVOTSA-N 290.367 1.640 0 50 CDAA CCN(CC)C(=O)CN1C(=O)[C@@H]2CC=C(C)C[C@H]2C1=O 16622352 KPTJOSLACRVMLA-VXGBXAGGSA-N 278.352 1.196 0 50 CDAA NC(=O)c1cc(S(=O)(=O)Nc2ccccc2O)cs1 16625297 OHAMIIBUPCBXHU-UHFFFAOYSA-N 298.345 1.353 0 50 CDAA COc1cc(-c2nc(CN[C@@H](C)CO)c(C)o2)ccc1O 1857667020 JSWCHERQYBAKLS-VIFPVBQESA-N 292.335 1.835 0 50 CDAA CC[C@@](NC(=O)c1ccnnc1)(C(=O)O)c1ccccc1 346017486 AIXKTWJXHNMYSJ-HNNXBMFYSA-N 285.303 1.597 0 50 CDAA CC(C)(C(=O)N1CC(=O)N(C2CC2)C1)c1cccnc1 329875466 GOYMNBJYDKEYGI-UHFFFAOYSA-N 273.336 1.150 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)O)C[C@H]2C1 100132193 QGUILIYSENMTGT-ILWJIGKKSA-N 255.314 1.964 0 50 CDAA in-vitro CO[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@H](O)C2)C1 225586845 LXTUOFLFWFYROH-MROQNXINSA-N 270.373 1.404 0 50 CDAA OCc1cn([C@@H]2CCCC[C@@H]2NC2CCSCC2)nn1 328604418 JQCHETJAUJRFML-UONOGXRCSA-N 296.440 1.739 0 50 CDAA Cc1ccc([C@@H]2CCCN2C(=O)CCc2nn[nH]n2)cc1 630682042 NEHWONLAGNTCTN-ZDUSSCGKSA-N 285.351 1.804 0 50 CDAA COc1ccc([C@@H]2CCN(C(=O)C3(C(=O)O)CC3)C2)cc1 237291280 FVCRINAQYGLWPP-GFCCVEGCSA-N 289.331 1.876 0 50 CDAA CNC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 240333224 FCJLFFIHPHSEMT-UTUOFQBUSA-N 278.352 1.098 0 50 CDAA O=C(c1nc2ccccn2c1F)N1C[C@H]2CCCN[C@H]2C1 247844335 GNEOYYSMOHXWAI-MNOVXSKESA-N 288.326 1.297 0 50 CDAA CN1CC[C@H](C(=O)N2CCC23CCC(CO)CC3)CC1=O 371474317 YQQRPQBFHLNAMQ-UYJPIKCFSA-N 294.395 1.008 0 50 CDAA Cn1nc(O)c2c1CN(C(=O)C[C@@H]1C[C@H]3CC[C@H]1C3)CC2 585129122 YLIRAEPXHNKSOJ-SRVKXCTJSA-N 289.379 1.837 0 50 CDAA C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(N)s1 621693 DJDQUXBMYIVMOM-JGVFFNPUSA-N 286.426 1.907 0 50 CDAA Cc1conc1Cn1cnc2c(cnn2C2CC2)c1=O 919312327 HOGPKKQIQZZKRC-UHFFFAOYSA-N 271.280 1.273 0 50 CDAA C[C@@H]1c2nncn2CCN1C(=O)c1cccc(F)c1O 935618157 HWHGDQQPUPDDEE-MRVPVSSYSA-N 276.271 1.340 0 50 CDAA C[C@H]1c2nncn2CCN1C(=O)c1cccc(F)c1O 935618159 HWHGDQQPUPDDEE-QMMMGPOBSA-N 276.271 1.340 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc[n+]([O-])c1 952876877 HFABSLHYILARHO-OCCSQVGLSA-N 293.367 1.893 0 50 CDAA c1cc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)nc(C2CC2)n1 952890603 WKPAECAEIBCOMZ-JQWIXIFHSA-N 286.339 1.662 0 50 CDAA CNC(=O)OC1CCN(C(=O)c2ccncc2)CC1 1875328363 NZVKDFVEAWEYBQ-UHFFFAOYSA-N 263.297 1.042 0 50 CDAA 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1.565 0 50 CDAA CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@@H](NC)C1 422774170 VWSBQVLHSBASPL-GFCCVEGCSA-N 292.427 1.298 0 50 CDAA COCc1cc(-c2nc3c([nH]2)CC(C)(C)CNC3=O)n[nH]1 67886202 DUYJYHULGWRHJF-UHFFFAOYSA-N 289.339 1.258 0 50 CDAA CCc1csc(CNC(=O)C2=C(C)NC(=O)N[C@H]2C)n1 67974681 VNEAHBAKGWIATP-ZETCQYMHSA-N 294.380 1.297 0 50 CDAA C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCCO1 171144440 MHSPGSPMKOYXJS-JTQLQIEISA-N 287.319 1.174 0 50 CDAA Cc1noc(CN(C)C(=O)c2cc(C(C)C)no2)n1 67868878 BVZVBLVOTVPMRO-UHFFFAOYSA-N 264.285 1.762 0 50 CDAA CCN(CC)C[C@H](O)CN1CCC[C@@H](c2ccnn2C)C1 229748782 VHTQDULUWSOZAR-CABCVRRESA-N 294.443 1.302 0 50 CDAA CC1(C)CC(NCc2ccc(S(=O)(=O)CCO)cc2)C1 433069806 WDKNFWSDSDTYNJ-UHFFFAOYSA-N 297.420 1.731 0 50 CDAA Cc1nc2nc(C)c3c(=O)n(C[C@@H]4CCCO4)ccc3n2n1 72119302 CUGIVTAMYLWPNB-NSHDSACASA-N 299.334 1.235 0 50 CDAA Cc1oncc1C(=O)N[C@@H](C(=O)N(C)C)c1ccccc1 219839797 QODYQYVWSBAZQC-CYBMUJFWSA-N 287.319 1.542 0 50 CDAA COc1ccccc1[C@H]1CCCN1C(=O)C[C@H](CN)CO 328598339 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O=C(O)C[C@@H](NC(=O)[C@H]1CCCOC1)c1ccc(F)cc1 262104637 JJABQMHUJFJMMW-WCQYABFASA-N 295.310 1.884 0 50 CDAA c1ccc2sc(=N[C@H]3CCc4nnnn4CC3)[nH]c2c1 333765592 DINJBTUEFIGLQT-VIFPVBQESA-N 286.364 1.522 0 50 CDAA CCS(=O)(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 372389897 OPTFLZHIYRJYPN-JSGCOSHPSA-N 296.392 1.145 0 50 CDAA Cn1cccc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c1=O 77438565 VEGHQKIQGNZIFL-GVXVVHGQSA-N 260.337 1.694 0 50 CDAA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)C1CCOCC1)C2 221228198 BPISNEJUGPHEHG-CQSZACIVSA-N 293.367 1.095 0 50 CDAA N[C@@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O 222375991 WIORTIPKQQCZHO-CQSZACIVSA-N 269.279 1.900 0 50 CDAA CC(=O)[C@@](C)(O)CN1CCN(c2ccccc2Cl)CC1 241515754 OHTIKKPGECOLNF-HNNXBMFYSA-N 296.798 1.802 0 50 CDAA O=C1C[C@@H](C(=O)NCCOc2cccc3ccccc23)CN1 194816000 IGDJALGPDZLXOC-CYBMUJFWSA-N 298.342 1.471 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(C)c1O 220097661 GRQQCECOUANHFP-CHWSQXEVSA-N 279.336 1.624 0 50 CDAA CNC(=O)[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)C1 222522996 RRDNWRWLTRLGDG-SNVBAGLBSA-N 280.755 1.857 0 50 CDAA CC(C)[C@H](CCO)NC(=O)[C@@H]1C[C@@]1(C)Br 528812221 HAGMIOXQCMMHNI-ATZCPNFKSA-N 278.190 1.683 0 50 CDAA Cc1nccc([C@@H]2CCCN(c3ncnc4n[nH]cc34)C2)n1 613211761 ZGLRNXRGASVNGV-LLVKDONJSA-N 295.350 1.835 0 50 CDAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cc2nc(O)n[nH]2)C1 426689830 HCIOBQIKTHGTNL-YMTOWFKASA-N 278.356 1.480 0 50 CDAA CC(C)c1nnsc1CNC(=O)[C@@H]1CCCCN1C 97347459 FNGHZGWLDBGKKR-JTQLQIEISA-N 282.413 1.762 0 50 CDAA CCn1nc(C)nc1-c1ccc(N2CCNCC2)cc1 426535377 AVWWJOOEXXVXMA-UHFFFAOYSA-N 271.368 1.683 0 50 CDAA COCCNC(=O)NCc1cccc(SC)c1 426407550 MPSBTOWVSBUYKK-UHFFFAOYSA-N 254.355 1.854 0 50 CDAA CCCc1cc(C(=O)N2C[C@H](CCC)[C@@H](N)C2)no1 91595784 FRGPWBLZMWJGLX-JQWIXIFHSA-N 265.357 1.827 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCCNCC1 236834335 JFSKKJCFBGGNGE-UHFFFAOYSA-N 284.791 1.632 0 50 CDAA O=C(NCc1nnc2ccccn12)c1ccc2c(c1)CCN2 238049028 QCAFTKGQUVWDRP-UHFFFAOYSA-N 293.330 1.627 0 50 CDAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCC12COC2 615916320 ASOVHIWSVGXQCR-UHFFFAOYSA-N 275.230 1.054 0 50 CDAA COc1ccc2c(=O)n(CCCCO)ccc2c1OC 95374447 HEQNMRWOOXLXMA-UHFFFAOYSA-N 277.320 1.791 0 50 CDAA O=C(O)CN(C(=O)CC[C@H]1CCCCO1)C1CCOCC1 532601941 FOUJHXHPTZTHIB-CYBMUJFWSA-N 299.367 1.428 0 50 CDAA CCN1CCC[C@H]1CNC(=O)CCCc1cn[nH]c1 97785547 CRDXRVSIRWSCLK-ZDUSSCGKSA-N 264.373 1.333 0 50 CDAA O=C(NCC1=CCCCC1)[C@@H]1CC(=O)N(C2CC2)C1 91574326 IQOCYDKACAPIBT-GFCCVEGCSA-N 262.353 1.614 0 50 CDAA O=C1C=C(c2ccc(C(F)(F)F)cc2F)C(=O)N1 95617050 UHZSBYCUAZPJBQ-UHFFFAOYSA-N 259.158 1.884 0 50 CDAA Nc1nc(CNC(=O)c2cc(Cl)cc(Cl)c2)n[nH]1 244673789 HVNPPTWAABNPRA-UHFFFAOYSA-N 286.122 1.624 0 50 CDAA O=C1CCCN1CCN1CCCC2(CCNCC2)CC1 534667034 ZQFMGIYZWCYXEM-UHFFFAOYSA-N 279.428 1.465 0 50 CDAA C[C@@H](CCC(=O)NCc1cscn1)N1CCOCC1 534673810 YBXUCJZFPACOFV-NSHDSACASA-N 283.397 1.260 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)N2CCNC(=O)C2)c(C)c1 298955357 LCBSBXHYDLXDBR-GFCCVEGCSA-N 275.352 1.506 0 50 CDAA NCCCOc1ccc(C(=O)NC[C@H]2CCOC2)cc1 299777565 LHUSZKNQFGKIFA-GFCCVEGCSA-N 278.352 1.181 0 50 CDAA CN1C[C@@H](CNC(=O)c2cccn2C2CC2)CC1=O 584889659 LQHPUKZCTAEAMV-SNVBAGLBSA-N 261.325 1.031 0 50 CDAA COCC1(C(=O)N(C)CC2(CO)CCCC2)CCC1 584898932 PXWACBWLBOGKES-UHFFFAOYSA-N 269.385 1.814 0 50 CDAA O=C(C1CC1)N1CCC(N=c2cc[nH]cc2F)CC1 584886479 FVIJTRRMRRLRCZ-UHFFFAOYSA-N 263.316 1.456 0 50 CDAA Cc1nccn1CCN(C)[C@H](C)C(=O)N1CCCC1 240128277 IPIDKCQAOMETNL-GFCCVEGCSA-N 264.373 1.134 0 50 CDAA C[C@H](CCN(C)Cc1cccnc1N)N1CCCC1 952872902 RJWZZZMZFGTBRH-CYBMUJFWSA-N 262.401 1.970 0 50 CDAA CC1(C)CN(C(=O)c2cscn2)C[C@]1(O)C1CC1 1565505514 MGKCPWFJQGXABK-ZDUSSCGKSA-N 266.366 1.766 0 50 CDAA C[C@H]1CCCN1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 185188239 AEWWYAMJYCXWIF-QMMMGPOBSA-N 297.336 1.262 0 50 CDAA Cc1ncc(C(=O)O)cc1C(=O)N(C)CCn1cccn1 630120048 ZUIQRBNTGVPBRN-UHFFFAOYSA-N 288.307 1.057 0 50 CDAA C[C@H]1[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(F)F 408046786 XZGLQZSBDWKDFO-XKNYDFJKSA-N 285.294 1.268 0 50 CDAA O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@@H]1C[C@H]2CC[C@H]1O2 408382925 FPUZWULFJCFJJV-NLRBGTRBSA-N 273.332 1.543 0 50 CDAA Oc1nccnc1N1CCC[C@@H](NC2CCSCC2)C1 275433513 FJEIDLHHNFBMRR-GFCCVEGCSA-N 294.424 1.636 0 50 CDAA Cc1nn2c(CN[C@@H]3CCOC[C@H]3C)c(C)nc2s1 277553573 RDICGWAGQZXCEP-LDYMZIIASA-N 280.397 1.922 0 50 CDAA COc1cccc(OCCNC(=O)[C@]2(C)CCCCN2)c1 170072734 LNVXQLWCBQTLTI-INIZCTEOSA-N 292.379 1.722 0 50 CDAA Cc1nc(NC(=O)c2c(F)ccc(F)c2F)n[nH]1 170598934 UAUJSINJNFUXFP-UHFFFAOYSA-N 256.187 1.783 0 50 CDAA CCOC[C@H](O)CNC(=O)c1cccc(C)c1Cl 170691632 BQSAMTMMBOINRF-SNVBAGLBSA-N 271.744 1.776 0 50 CDAA Cc1cc(C)c(C(=O)NCc2c(C)n[nH]c2C)c(O)n1 718257892 AZUAFPLRPKQJLJ-UHFFFAOYSA-N 274.324 1.674 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)NC[C@@H]1CCCS1 583623888 SONYKJVEQLSTDZ-RYUDHWBXSA-N 294.424 1.640 0 50 CDAA COc1cc(S(=O)(=O)NCc2ccnn2C)ccc1F 190508176 APVZMZYFMQGFAP-UHFFFAOYSA-N 299.327 1.046 0 50 CDAA CCc1ccccc1C(=O)N1CCC[C@@]1(COC)C(N)=O 643940876 SPKUVWFWCPMSDF-MRXNPFEDSA-N 290.363 1.356 0 50 CDAA C[C@H]1OCC[C@]12CN(c1cc(CO)c(F)cn1)CCO2 663860956 SEOGZQWAWDHWPC-YGRLFVJLSA-N 282.315 1.097 0 50 CDAA CCOC(=O)C1CCC(O)(CSc2nccn2C)CC1 191438273 LQJXAFOVHVOKBH-UHFFFAOYSA-N 298.408 1.997 0 50 CDAA Cc1cc(C(=O)N2CCN(C3CC3)C[C@H]2C)ns1 585130649 XNZWBJBHLOBKTG-SECBINFHSA-N 265.382 1.760 0 50 CDAA Cc1c(C(=O)N2CCC(C(=O)O)CC2)cnn1C(C)(C)C 195192232 IWQDXCAUAIYUKX-UHFFFAOYSA-N 293.367 1.883 0 50 CDAA O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc2cccnc2n1 666915795 GCSSDUKDZAEOBF-GFCCVEGCSA-N 296.374 1.844 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)N1CCOC[C@H](O)C1 77472430 DOPHBXWPJFTDGW-GFCCVEGCSA-N 299.754 1.247 0 50 CDAA CC(C)N1CC[C@@H](N2CCC[C@@H]([C@H](C)O)C2)C1=O 245338720 OAGOMHUBNQAPDY-YNEHKIRRSA-N 254.374 1.089 0 50 CDAA Cc1cnc2cc(C(=O)N[C@@H]3CCC[C@@H]3CO)ccn12 569590453 UAEQOBUINRDERF-CHWSQXEVSA-N 273.336 1.534 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3c(=O)[nH]ccc3c2)C1 659343319 VEEVSTOFDGMIKG-VXGBXAGGSA-N 285.347 1.984 0 50 CDAA CCc1ccc(CC(=O)N[C@H]2C[C@@H](N)C23CCC3)nc1 1615555200 OPKKUNJNRLTNAB-KGLIPLIRSA-N 273.380 1.573 0 50 CDAA COc1c[nH]c(C(=O)N2CC=C[C@H]2C(C)C)cc1=O 1857694914 ZLSRMHYVZSDAMC-NSHDSACASA-N 262.309 1.420 0 50 CDAA OC[C@]1(O)CCCN(C2CSCCSC2)CC1 1506428100 LZOWAQZTIWAOTK-LBPRGKRZSA-N 277.455 1.044 0 50 CDAA C[C@@H](CCN(C)Cc1nc(C(=O)O)co1)N1CCCC1 1529155278 PVLLLAMDEMRHSL-NSHDSACASA-N 281.356 1.679 0 50 CDAA C[C@H]1CO[C@H](C)CN1Cc1nc2ccccc2[nH]c1=O 222207017 OONNVKJHKWVYAQ-WDEREUQCSA-N 273.336 1.532 0 50 CDAA NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 332679 MWYUFCXZABNQKA-SDNWHVSQSA-N 266.300 1.943 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1ccn(C2CCCC2)n1 346396495 IQRHJAZCNHZDIM-FZMZJTMJSA-N 267.348 1.903 0 50 CDAA O=C(CN1CCCCC1)Nc1cccc(-n2cnnn2)c1 411289 KQUNPSYZUINUOF-UHFFFAOYSA-N 286.339 1.087 0 50 CDAA CCC(CC)n1ncc(C(=O)N2CCNC(=O)C2)c1C 155501546 PTPXTFSZLYAZTH-UHFFFAOYSA-N 278.356 1.125 0 50 CDAA S=c1nc(N2CCOCC2)ncn1-c1ccccc1 1740816548 KGIVWDIOPKSKPV-UHFFFAOYSA-N 274.349 1.833 0 50 CDAA CCCC1(CO)CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1775984322 OHMFNQPQOKLXDY-AWEZNQCLSA-N 282.428 1.729 0 50 CDAA CC(C)N1C[C@@H](CN(C)CCN2CCCC2)CCC1=O 1775980059 RXXSRSXRMXVQJS-OAHLLOKOSA-N 281.444 1.661 0 50 CDAA CCc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1 5154943 HPJSWZSBIHTEKC-UHFFFAOYSA-N 293.348 1.334 0 50 CDAA Cc1cc(C)n([C@@H](C)c2nc([C@H]3CCOC3)no2)n1 120272131 CIBSEOKIOIMULJ-QWRGUYRKSA-N 262.313 1.996 0 50 CDAA Cc1cc(C)nc(CCN=c2[nH]cnc3ccc(C)nc23)n1 1857671800 QPDDVHJNPHIYKV-UHFFFAOYSA-N 294.362 1.817 0 50 CDAA CCNc1nccnc1N1C[C@H](C2CC2)O[C@H](C)C1 408521893 ACBUTYXKKHRDKQ-ZYHUDNBSSA-N 262.357 1.912 0 50 CDAA COCc1ccc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)cc1 225447331 BEOVZBJIDCMTIQ-MPBGBICISA-N 295.404 1.816 0 50 CDAA O=C(C1CCNCC1)N1CCN(c2ccccc2)CC1 4247615 BXOFULNKGRWZLW-UHFFFAOYSA-N 273.380 1.335 0 50 CDAA in-vitro CCOC1(C(=O)N2CCc3ncnc(O)c3C2)CCCC1 328900610 YDPSWKIEJVDDNA-UHFFFAOYSA-N 291.351 1.416 0 50 CDAA C[C@@H]1CC(=O)N[C@H](C(=O)Nc2cccc(F)c2O)C1 530006829 VHCZQEXHMIVGGV-XVKPBYJWSA-N 266.272 1.385 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1CCC(=O)NC1 252517038 ZCCIVGOIPHAMHE-AGIUHOORSA-N 282.384 1.224 0 50 CDAA Cc1nn(C)c2c1[C@H](c1ccc(C(=O)O)cc1)CC(=O)N2 33464588 FELHHQKDIBRPBT-NSHDSACASA-N 285.303 1.901 0 50 CDAA Cc1ncncc1[C@H](C)NCCN1CCCOCC1 903226915 JBGUNBADBADDOL-LBPRGKRZSA-N 264.373 1.158 0 50 CDAA CO[C@@H]1CN(C(=O)C=C(C2CC2)C2CC2)[C@](C)(CO)C1 864233116 GRRIHOJJKQUHEP-BBRMVZONSA-N 279.380 1.731 0 50 CDAA NC(=O)c1ccccc1SCC(=O)Nc1cccnc1 1875257156 DMRAXAUHGDQIPZ-UHFFFAOYSA-N 287.344 1.911 0 50 CDAA CCCC[C@H]1NC(=O)[C@H](Cc2ccc(Cl)nc2)NC1=O 1875290291 ORFQEKIZAURCOJ-MNOVXSKESA-N 295.770 1.451 0 50 CDAA C=CC(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 1875371363 YCLHJSXSMQBZRG-GFCCVEGCSA-N 262.284 1.342 0 50 CDAA Nc1cccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)n1 1875358388 UPLFPCHYGUXTPA-UHFFFAOYSA-N 293.330 1.984 0 50 CDAA C=CC(=O)N[C@H](C)CCN1CCN(c2ccccc2)CC1 1875366019 TUPIJESIFPIRIZ-OAHLLOKOSA-N 287.407 1.889 0 50 CDAA CO[C@@H]1CN(c2ccncc2C)C[C@H]1c1cn(C)nn1 886080339 XLVPERAAJQNKKZ-SMDDNHRTSA-N 273.340 1.137 0 50 CDAA O=C(NC1CC1)N1CCO[C@@H](c2ccsc2)C1 127836192 LYUSFZXUEFYYDD-LLVKDONJSA-N 252.339 1.993 0 50 CDAA N[C@@H]1C[C@H](C(=O)NCCc2ccc3c[nH]nc3c2)[C@H]2C[C@H]21 1772309296 WKDGHEMVMCCVAE-RFQIPJPRSA-N 284.363 1.205 0 50 CDAA CC(C)c1nnc(N2CCC3(CCNC(=O)O3)CC2)o1 896299804 KWZWNSGPSVXXJZ-UHFFFAOYSA-N 280.328 1.662 0 50 CDAA Cc1cn(CCS(=O)(=O)c2ccc(F)cc2)nn1 899901009 AKJOADQSGQBFSN-UHFFFAOYSA-N 269.301 1.200 0 50 CDAA CNc1nc(CN(C)C[C@H]2COCCO2)cs1 252483779 FIDWKRBPTVQVNR-JTQLQIEISA-N 257.359 1.032 0 50 CDAA CC(=O)Nc1nc(CN2CC[C@@]3(CCOC3)C2)cs1 153911376 ZWZAKZDWRRJYED-CYBMUJFWSA-N 281.381 1.714 0 50 CDAA COc1ccc(S(=O)(=O)NCC(F)(F)F)cc1C 283876805 BVWUESPSPXRCCR-UHFFFAOYSA-N 283.271 1.844 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)c1ccncc1F 336558816 QEDFTZDRFDJABG-JTQLQIEISA-N 274.299 1.410 0 50 CDAA CN(CC1=CCCOC1)Cc1nnc(C2CC2)n1C 678297899 QYHZCOYGTJJSQS-UHFFFAOYSA-N 262.357 1.471 0 50 CDAA CC(C)=CCCc1nc(CC(N)=O)nn1[C@@H]1CCOC1 2100477627 DAGBDIAEXBSYHZ-LLVKDONJSA-N 278.356 1.166 0 50 CDAA CC[C@H](C(=O)NCc1ccc(Cl)c(N)c1)N(C)C 2325782796 HDWKZPQVMONBOY-GFCCVEGCSA-N 269.776 1.879 0 50 CDAA NC(=O)c1cnc(NC(=O)[C@@H]2CC3(CC[C@H]2N)CC3)s1 2325865590 IGLDYFCBQRFVPL-HTQZYQBOSA-N 294.380 1.088 0 50 CDAA O=C(C[C@H](C(=O)O)[C@@H]1CCCO1)NCc1ccccc1 31893 QHAHXMVJTKMDFO-STQMWFEESA-N 277.320 1.573 0 50 CDAA CN1CCN(c2c(N)c(=O)oc3ccccc23)CC1 190898 OZISUROFJWDSRG-UHFFFAOYSA-N 259.309 1.127 0 50 CDAA Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1 233866 JVYZFCMVEWGRSN-UHFFFAOYSA-N 263.322 1.142 0 50 CDAA CCc1cc(CN(C)Cc2ccn3ncnc3c2)on1 2356145470 NYPREZXLFTVZAZ-UHFFFAOYSA-N 271.324 1.912 0 50 CDAA CCCN(CCO)c1nc(C)nc2oc(C)nc12 55387039 CRNVBTYBTPSRDY-UHFFFAOYSA-N 250.302 1.443 0 50 CDAA CCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9252972 SMDDXAVNCVETGR-UHFFFAOYSA-N 296.392 1.611 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H](O)C(C)(C)C 112737525 JXQDNPABVJXKMH-SFYZADRCSA-N 261.318 1.371 0 50 CDAA CCn1c(S)nnc1CCNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 245463594 OUVAGMRLPACLLV-IAZYJMLFSA-N 294.424 1.682 0 50 CDAA CCOC1(C(=O)N[C@@H]2CCN(CCOC)C2)CCCC1 342481146 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ZDJGSZKNHPZGOR-ZDUSSCGKSA-N 264.373 1.551 0 50 CDAA Cc1ccc2occ([C@H]3N[C@H](C(=O)O)CS3)c(=O)c2c1 32534 CCXCKWUAHXLOMS-GWCFXTLKSA-N 291.328 1.890 0 50 CDAA O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 323730 JKVDTLWEIJKWGT-JTQLQIEISA-N 269.322 1.172 0 50 CDAA in-vitro COc1nccc(F)c1I 306698169 HDIINFLDILVLSZ-UHFFFAOYSA-N 253.014 1.834 0 50 CDAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1cnnc(-c2ccccc2)c1 354621373 JLLCBJASFJNTHA-SWLSCSKDSA-N 295.342 1.810 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCc3nccn3C2)nc(C)n1 328640556 XLMBBMSOLYSCJG-GFCCVEGCSA-N 285.351 1.282 0 50 CDAA O=C1CC[C@H](CNC(=O)c2ccccc2OC(F)F)N1 74071767 PMFWTONVPCCWCY-MRVPVSSYSA-N 284.262 1.296 0 50 CDAA COc1cc2c(cc1OC)CC(=O)N(CCC(=O)O)C=C2 217043911 OPHMLRZIEGJAIR-UHFFFAOYSA-N 291.303 1.534 0 50 CDAA biogenic CC(C)[C@@H](NC[C@@H](O)C(F)(F)F)C(=O)OC(C)(C)C 122000163 HUYDSRVLXJLNLJ-RKDXNWHRSA-N 285.306 1.866 0 50 CDAA COC[C@@H](CN=c1[nH]cncc1-c1ccccc1)OC 358111211 CDRQNUYOUBBBTG-CYBMUJFWSA-N 273.336 1.639 0 50 CDAA CCOc1ccc(S(N)(=O)=O)c2ccccc12 36948658 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CCCN1CCC(CC(=O)NCc2cc(C)nn2C)CC1 95366668 RMBMCZXAXPQOTC-UHFFFAOYSA-N 292.427 1.857 0 50 CDAA CC[C@@H](C(=O)NC1CCCC1)n1ncc(N(C)C)cc1=O 95377324 YSTPXSLYJQHZSN-ZDUSSCGKSA-N 292.383 1.319 0 50 CDAA C[C@@H]1CCCN(C(=O)COc2ccc(F)cc2F)[C@@H]1CN 237502154 BQUMUSLRANPFIL-ZWNOBZJWSA-N 298.333 1.929 0 50 CDAA CC(=O)NCC1CCN(C(=O)CCCn2ccnc2)CC1 91475689 RAQFDPICFALDQI-UHFFFAOYSA-N 292.383 1.038 0 50 CDAA CSCC(=O)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95519602 LWOCTEWJOJBXBL-CQSZACIVSA-N 294.420 1.055 0 50 CDAA O=C(NCCOCc1ccccc1)[C@@H]1CC12CCNCC2 96162930 AFMPXQBANRBHBP-HNNXBMFYSA-N 288.391 1.709 0 50 CDAA O=C1[C@H]2C=C[C@@H]([C@@H]3C[C@H]13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 247710132 IPILPBGNJMMELT-UQGHGMQMSA-N 293.322 1.813 0 50 CDAA CO[C@@]1(c2nc(-c3cn(C)nc3C(C)C)no2)CCOC1 293162815 XZZKBEWOPYJONG-AWEZNQCLSA-N 292.339 1.856 0 50 CDAA CCc1cccc(NC(=O)CN2CCN(C3CC3)CC2)c1 299366663 XHTXMKBGCTXBAH-UHFFFAOYSA-N 287.407 1.968 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C[C@H]3COc4ccccc4O3)C[C@H]21 534648532 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284.363 1.811 0 50 CDAA COc1ccc(-c2noc(N(C)C3CCNCC3)n2)cc1 420135670 HMGFDCYEQFEENG-UHFFFAOYSA-N 288.351 1.933 0 50 CDAA Cc1nc2cc(CC(=O)N[C@@H]3CC[C@@H](N)C3)ccc2[nH]1 67975204 ZKCIRFKEPKDUPC-VXGBXAGGSA-N 272.352 1.410 0 50 CDAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC[C@@H](Cn2ccnn2)C1 246411379 ZVEQUZLYVSHBSW-KBXIAJHMSA-N 288.395 1.953 0 50 CDAA CN(C)C(=O)c1cccc(CN2C[C@@H](F)C[C@H]2CO)c1 346346586 AMAOMQUGYXTFGQ-KBPBESRZSA-N 280.343 1.293 0 50 CDAA CC(C)SCC(=O)N1CCC2(CC1)CN(C)CCN2C 67770423 ONGSSSKMIASEBJ-UHFFFAOYSA-N 299.484 1.366 0 50 CDAA O=C(O)c1cc2n(n1)CCCN(Cc1ccccc1)C2 67742052 AIERBRBAJXZIKR-UHFFFAOYSA-N 271.320 1.987 0 50 CDAA COC(=O)c1oc2ccccc2c1N1C(=O)C=CC1=O 1393709 MHRIAFGESQBKMT-UHFFFAOYSA-N 271.228 1.649 0 50 CDAA Cc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)ccn1 120326453 FZWJRNXVPSGSGO-NSHDSACASA-N 272.312 1.118 0 50 CDAA CCN1CCN(C(=O)c2cscn2)C[C@@H]1c1ncc[nH]1 328627986 NGSIZVDVNSNDGF-LLVKDONJSA-N 291.380 1.385 0 50 CDAA O=C(CO)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280131388 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0 50 CDAA C[C@@H]1CN(c2ncnc3cccc(F)c23)CC(=O)N1 295643105 CIDMXOPBVYOXMC-MRVPVSSYSA-N 260.272 1.094 0 50 CDAA CC(C)[C@H](NS(=O)(=O)C1CC1)c1nccn1C 534584948 VRGCYQVHBDQNOI-JTQLQIEISA-N 257.359 1.199 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NCc1nc(C(C)(C)C)no1 534651751 NBLBKHWWUMKFHG-UHFFFAOYSA-N 291.355 1.566 0 50 CDAA CCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)OC3)cc1 263617832 PYJAYNAQPUXGIJ-ZDUSSCGKSA-N 288.303 1.592 0 50 CDAA CCN1C[C@H](NC(=O)c2ccc(COC)s2)[C@@H](OC)C1 534584101 NWWXPFOTNTXHCT-RYUDHWBXSA-N 298.408 1.343 0 50 CDAA CC[C@@H]1C(=O)Nc2cc(F)c(F)cc2C(=O)N1C 534666193 CMUSBDRWFXYCGA-SNVBAGLBSA-N 254.236 1.768 0 50 CDAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ncc(F)cc1F 277368079 PJAUEVGYMOWFPN-QMMMGPOBSA-N 295.289 1.101 0 50 CDAA CCn1ncc(C(=O)Nc2c(C)cnn2CC)c1C 633627875 YUDPYNYFJGTDCP-UHFFFAOYSA-N 261.329 1.989 0 50 CDAA O=C(NCCCCc1ccccn1)C1CCOCC1 299775491 JTDJZCINKXLHDE-UHFFFAOYSA-N 262.353 1.947 0 50 CDAA CN(C)c1nc(NCC[C@H]2CCCCN2C)ncc1F 823777745 NNWHMKWBUSMEDM-LLVKDONJSA-N 281.379 1.968 0 50 CDAA CC[C@H](CN=c1cc[nH]cc1F)N1CCOCC1 584890364 VSTZUYBUFQLJFS-LLVKDONJSA-N 253.321 1.165 0 50 CDAA Cc1ccc(OC2CN([C@H](C)CS(C)(=O)=O)C2)cc1 670447595 NTILVMWVLUHCPX-GFCCVEGCSA-N 283.393 1.491 0 50 CDAA Cc1ccc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)c(C)n1 670441977 ZOSVTKQNKGBAHV-KBPBESRZSA-N 278.352 1.309 0 50 CDAA COc1cccc(CN2C[C@H](C(=O)O)CCC2=O)c1 50919656 IKUFQEGKNBGGCW-LLVKDONJSA-N 263.293 1.518 0 50 CDAA O=C(CN1CCCCCC1)N1CCC[C@H](c2nc[nH]n2)C1 952991788 SOOWSMGOIAUFPX-ZDUSSCGKSA-N 291.399 1.387 0 50 CDAA CCCn1ncc(C(=O)NCc2cc(O)nc(C)n2)c1C 952988799 SIBJFATUOGSCTR-UHFFFAOYSA-N 289.339 1.336 0 50 CDAA Cn1cncc1CC(=O)N1CC[C@@](CO)(c2ccccc2)C1 574011110 JJUDPNWWNZEVHU-QGZVFWFLSA-N 299.374 1.125 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C1CC1 630202874 LPRLUXSDCOIGTK-VHSXEESVSA-N 299.277 1.461 0 50 CDAA C[C@@H](CCc1ccco1)NC(=O)N[C@@H](C)c1nc[nH]n1 272478043 RHCVUQWHINMIKY-UWVGGRQHSA-N 277.328 1.779 0 50 CDAA C[C@]1(NS(=O)(=O)c2ccccc2)CCO[C@@H]1C1CC1 273030265 BYOYVMCOOONVPK-KGLIPLIRSA-N 281.377 1.923 0 50 CDAA CC(C)N1CCCN(C(=O)C[C@H]2CCCOC2)CC1 793390202 LUCLSPXNRYKVBE-CQSZACIVSA-N 268.401 1.746 0 50 CDAA CCN1C(=O)C2(CCCC2)N[C@@H]1c1cncs1 170088123 RDZCSTKKMCCPDX-JTQLQIEISA-N 251.355 1.906 0 50 CDAA O=C(CSCCn1cccn1)N1CCCCC1 170660750 LQOGIDXLWBYIAC-UHFFFAOYSA-N 253.371 1.629 0 50 CDAA O=C(NCc1nnc(S)n1C1CC1)[C@@H]1C[C@@H]1C1CC1 170655874 IUCVKKJLYFNLGL-NXEZZACHSA-N 278.381 1.564 0 50 CDAA Cc1nc(O)c2c(n1)CN(c1ncnc3c1CCCC3)C2 641687747 JLSZKWRFGGNNOJ-UHFFFAOYSA-N 283.335 1.680 0 50 CDAA CC(C)c1cc(C(=O)N2CCNCC2(C)C)cc(O)n1 644075787 LNGKNLJKQDHRRM-UHFFFAOYSA-N 277.368 1.735 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)c2cscn2)C1(C)C 191718179 KAAKCITYZKTPNP-MFKMUULPSA-N 284.381 1.439 0 50 CDAA CC1(C)C[C@@H](O)CCN(c2ncnc3n[nH]cc23)C1 649495814 USBMGPFNCOAWPV-VIFPVBQESA-N 261.329 1.340 0 50 CDAA CCOC(=O)c1cnc(CN2CCNC(=O)[C@H]2CC)s1 585117723 UTJYYSOMGSMQBC-SECBINFHSA-N 297.380 1.030 0 50 CDAA COC(=O)N1CCN(Cc2ccc(F)cc2)CC1 16604969 HNCUXDZWRHQUMJ-UHFFFAOYSA-N 252.289 1.710 0 50 CDAA CO[C@H]1CCCN(C(=O)C[C@@H]2NCc3ccccc32)C1 662443063 ZEWFXQQEGFVEEW-ZFWWWQNUSA-N 274.364 1.858 0 50 CDAA O=c1cc(N2CCCC2)cnn1CCCCCCO 95353599 GWRSJDMEVYLMEH-UHFFFAOYSA-N 265.357 1.396 0 50 CDAA O=C(N[C@@]12CCC[C@@H]1NCC2)c1cccc2c1CCN2 1615548060 QLLRRQINSKWMDE-GOEBONIOSA-N 271.364 1.669 0 50 CDAA OCCN1C[C@H](Cc2ccnc3ccccc23)[C@@H](O)C1 1616069197 QLFFAGLRAXAIQY-BBRMVZONSA-N 272.348 1.062 0 50 CDAA C[C@H]1NC(=O)N(c2ccccc2NC(=O)C2CCC2)C1=O 1506395985 LCWWSROJUXCIGJ-SECBINFHSA-N 287.319 1.870 0 50 CDAA COc1nccnc1N1CCC(c2cc[nH]n2)CC1 1506402785 JUNAHBKVBOPNJF-UHFFFAOYSA-N 259.313 1.592 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@H]2C(=O)O)sc1Cl 225662808 UEBDKFNQFWEVCA-LURJTMIESA-N 295.769 1.558 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2O)n[nH]1 1704352337 CWEIAWINOAWCSY-CZUORRHYSA-N 289.354 1.893 0 50 CDAA C[C@H](O)CS(=O)(=O)Cc1ccc(F)cc1Cl 331354944 PZHZEWCPMZSRLS-ZETCQYMHSA-N 266.721 1.775 0 50 CDAA Cc1nnsc1C(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1 12072567 WJKXYWLXURGLRQ-SECBINFHSA-N 296.396 1.223 0 50 CDAA O=c1cn[nH]c(Nc2cccc(C(F)(F)F)c2)n1 12514327 OLWHGRQYWMCMLS-UHFFFAOYSA-N 256.187 1.927 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1c(O)c2ccccc2[nH]c1=O 13124282 FDEMXJQNTOXLPK-VIFPVBQESA-N 288.303 1.143 0 50 CDAA aggregator,biogenic CCCCN1C[C@@H](C(=O)NCc2ccco2)CC1=O 16576804 OJQACEMFCDBXPD-NSHDSACASA-N 264.325 1.544 0 50 CDAA CC[C@@H](NC(=O)c1cnsc1)c1ccnn1C 1857688627 UEJPPPUJXYOHBA-SECBINFHSA-N 250.327 1.758 0 50 CDAA COc1cnc(C)cc1C(=O)NCc1n[nH]c2c1CCC2 1857667951 NYLMZUJZLLLBJD-UHFFFAOYSA-N 286.335 1.540 0 50 CDAA Cc1nc(N2CCOC[C@@H](CN(C)C)C2)c2[nH]ccc2n1 1857683617 YATZVPPRBQMBIS-LBPRGKRZSA-N 289.383 1.281 0 50 CDAA Cn1cnc(C(=O)N2CC(Oc3cccc(Cl)c3)C2)c1 1857707156 GPZSRDPVDGNECM-UHFFFAOYSA-N 291.738 1.977 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)[C@@H]1CCn2nccc2C1 1857720411 STLUQTYYGLMLCE-SNVBAGLBSA-N 296.334 1.033 0 50 CDAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N([C@H]2C=CCCC2)C1 328951913 NSYDOAGNIROHAD-XQQFMLRXSA-N 262.357 1.984 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@H](C)N1 153396642 BAJHCNVKPKOBNI-STQMWFEESA-N 288.395 1.504 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)on1 328614115 VIYVPRDRJGCHFU-WCQYABFASA-N 290.323 1.285 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)N=c1cc[nH]cc1 328627584 MYHASROEJGNYJP-GFCCVEGCSA-N 285.351 1.426 0 50 CDAA CCOc1ccccc1OCCCC(=O)N1CC[C@H](N)C1 236967762 SKDNLRGRCHWSQA-ZDUSSCGKSA-N 292.379 1.804 0 50 CDAA CO[C@H]1Cc2ccccc2N(C(=O)CN2CCCC2=O)C1 240886253 IOGKBOFIJVBSGK-ZDUSSCGKSA-N 288.347 1.213 0 50 CDAA Cc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)nc1 133560307 YIPUGOODWNXMAU-JTQLQIEISA-N 272.312 1.118 0 50 CDAA CCOC(=O)CN1CCCN(c2ncccc2Cl)CC1 253430862 SOEZUJOYSOEPNV-UHFFFAOYSA-N 297.786 1.810 0 50 CDAA CCCCNC(=O)[C@@H](C)N1CC[C@H](Oc2cccnc2)C1 152379797 AXWNUECWXWNPNK-HIFRSBDPSA-N 291.395 1.840 0 50 CDAA C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)c1nccs1 583615017 SBVSPZSEWFVTEU-BDAKNGLRSA-N 292.364 1.861 0 50 CDAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)c1cocn1 910203057 QIEMZZAJSBHZAA-JTQLQIEISA-N 262.221 1.092 0 50 CDAA CCC[C@@H](C(=O)O)n1ccc(NC(=O)c2ccnnc2)n1 851618815 ODJIDJVOHHSOPX-JTQLQIEISA-N 289.295 1.351 0 50 CDAA Cc1nn[nH]c1C(=O)N1CC[C@H]1c1ccc(F)cc1 855564761 SJOATOWNJWKPRK-NSHDSACASA-N 260.272 1.839 0 50 CDAA C=Cc1ccc(S(=O)(=O)N[C@@H](CC)C(=O)NC)cc1 1875265655 KMJBQTQYSAGRFS-LBPRGKRZSA-N 282.365 1.133 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC4(C3)CC4(F)F)n[nH]c21 1875294068 LWRIFABIQWYTCN-SFYZADRCSA-N 297.305 1.913 0 50 CDAA CCC[C@@H]1C[C@@H](C(=O)O[C@@H]2CCN(C(=O)OC)C2)CCO1 1875333052 XQQNZULBABAPPP-YNEHKIRRSA-N 299.367 1.966 0 50 CDAA COC(=O)/C=C\C(=O)N1CCc2sccc2C1 1875389554 SIADSXPMEOGNAC-IHWYPQMZSA-N 251.307 1.362 0 50 CDAA CC(C)c1noc(=O)n1CC(=O)Nc1ccccc1 1875391625 LCBLHVMRMMZTRC-UHFFFAOYSA-N 261.281 1.598 0 50 CDAA CN(C)C/C=C/C(=O)NCc1noc2ccc(F)cc12 1875377126 TVDQMBDHKRUAKR-ONEGZZNKSA-N 277.299 1.701 0 50 CDAA c1cn([C@@H]2COC[C@@H]2N[C@H]2CCOC3(CCCC3)C2)nn1 877511860 LUNGACFPBOOEKD-MELADBBJSA-N 292.383 1.299 0 50 CDAA OCc1ccc(CN2CCc3ncncc3C2)cc1 880597155 PNRSJPULPRAAKR-UHFFFAOYSA-N 255.321 1.527 0 50 CDAA CC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C[C@H](C)O2)C1 882584566 PFEVRWJXZFHDKN-WMLDXEAASA-N 288.391 1.898 0 50 CDAA COc1nn(C)cc1C(=O)NCCc1sccc1C 883966852 XTNKSQUTAUPLGM-UHFFFAOYSA-N 279.365 1.771 0 50 CDAA Cc1cnc2c(c1)N(C(=O)[C@H](C)c1cnccn1)CC2 888145785 MSXKXWOMJDXJLV-LLVKDONJSA-N 268.320 1.873 0 50 CDAA C[C@H](C(=O)N1CCCC[C@@H]1Cc1nn[nH]n1)C1CC1 1775987591 FDHNKIMJSXSHTD-GXSJLCMTSA-N 263.345 1.169 0 50 CDAA O=C1NCc2ccc(NCCO[C@H]3CCOC3)cc2N1 1776003434 PEORVBDRUNZOTF-LBPRGKRZSA-N 277.324 1.539 0 50 CDAA O=C(c1cn(-c2ccccc2)nn1)N1CCSCC1 48600597 NXFLPSSWCZIWGC-UHFFFAOYSA-N 274.349 1.456 0 50 CDAA CS(=O)(=O)[C@H]1CCCC[C@H]1NCCCn1ccnc1 182186762 OBCNOPLDROSTLS-OLZOCXBDSA-N 285.413 1.219 0 50 CDAA COC1(CO)CCN(C(=O)c2cc(F)ccc2F)CC1 401740145 RHRBBFWZSBFLBX-UHFFFAOYSA-N 285.290 1.578 0 50 CDAA CC[C@H]1CN(c2cccc(C(=O)O)n2)[C@H](C)CO1 403941524 NBJYQPMLLOGEBV-ZJUUUORDSA-N 250.298 1.784 0 50 CDAA O=C(CCc1cn[nH]c1)NCC[C@H]1CCCOC1 630020176 PIVVJEVUIQWTGG-LLVKDONJSA-N 251.330 1.275 0 50 CDAA C[C@@H](CC(=O)N1CCC(O)(CN)CC1)c1ccccc1 572402593 YDJGRMDNNOKHIT-ZDUSSCGKSA-N 276.380 1.492 0 50 CDAA C[C@H]1CCCN(CCN2C[C@@H]3CC[C@H](C2)O3)[C@H]1C(=O)O 333643173 XQCMDYYGUPVJHS-IGQOVBAYSA-N 282.384 1.035 0 50 CDAA O=C(O)Cc1sccc1C(=O)Nc1cnns1 379023633 CJWUQQKCWXWFAD-UHFFFAOYSA-N 269.307 1.479 0 50 CDAA c1ccc2c(c1)CCN(CC1COCCOC1)CC2 2100482463 AWYHMEUHEHZNLS-UHFFFAOYSA-N 261.365 1.750 0 50 CDAA COc1cc(-c2ccc(C(N)=O)cc2)c(=N)[nH]c1C 2100539412 HMVBTOBNMMXSHD-UHFFFAOYSA-N 257.293 1.577 0 50 CDAA O=C(NC1(C(=O)O)CCCC1)c1ncncc1Cl 238096006 JNEBYMIDDDYTNO-UHFFFAOYSA-N 269.688 1.257 0 50 CDAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NCc2nn[nH]n2)o1 2325726869 PBPMVWDDLFTUHL-KATARQTJSA-N 287.323 1.336 0 50 CDAA COc1ccc([C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(=O)O)C2)cc1 2325778020 XRNMFQLJVYGWNV-ZMJPVWNMSA-N 289.331 1.778 0 50 CDAA Cc1cccc2nc(CNC(=O)[C@H]3C[C@H](N(C)C)C3)cn12 2325784861 PEMAAMRNDJHVLM-MQMHXKEQSA-N 286.379 1.599 0 50 CDAA O=C1NCCC[C@H]1C(=O)N[C@@H]1C[C@]12CCCc1ccccc12 2325786891 UBLVZQFNYCUEHJ-SIIHOXLZSA-N 298.386 1.675 0 50 CDAA O=C(NC[C@@H]1CCCCO1)c1n[nH]cc1-c1ccncc1 2325798257 ZVPRBHVBSMEALU-LBPRGKRZSA-N 286.335 1.771 0 50 CDAA O=S(=O)(c1ccccc1)c1cc(O)ccc1O 36686 SXNZCNQISJFAEW-UHFFFAOYSA-N 250.275 1.931 0 50 CDAA CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2)N2NC=NC2=N1 151175 JMAXRDLTHHMYGJ-LLVKDONJSA-N 289.726 1.359 0 50 CDAA Nn1c(Nc2ccccc2)nc2ccccc2c1=O 189727 CBEYPOADIBVSFQ-UHFFFAOYSA-N 252.277 1.854 0 50 CDAA C[C@H]1CCCCN1S(=O)(=O)c1cccc2nonc12 209298 UYQWJNCUXGQBIO-VIFPVBQESA-N 281.337 1.786 0 50 CDAA O=C(CSc1ncccn1)NCCc1ccccc1 379169 ALCFKMPYUAYEHN-UHFFFAOYSA-N 273.361 1.928 0 50 CDAA Nc1nc(-c2cccnc2)nn1C(=O)c1cccs1 609835 YQTCLHNYNCBCGJ-UHFFFAOYSA-N 271.305 1.672 0 50 CDAA O=S(=O)(N1CCCCC1)n1nnc2ccccc21 2863444 BLLQEGCELBSTSI-UHFFFAOYSA-N 266.326 1.010 0 50 CDAA O=C1N[C@](O)(C(F)(F)F)C(=O)N1C1CCCCC1 2867244 CCBANFJXERISCA-SECBINFHSA-N 266.219 1.122 0 50 CDAA COc1ccc(CNC(=O)C(=O)NCC(C)C)cc1 2899166 TZQDUOHJBWJNDR-UHFFFAOYSA-N 264.325 1.084 0 50 CDAA biogenic Cc1nc(NC(=O)[C@@H](c2cccc(F)c2)N(C)C)no1 2356170224 ZBCPDCGWFTXXJC-LLVKDONJSA-N 278.287 1.759 0 50 CDAA C[C@@H]1CN2C[C@@H](NC(=O)CC3CCCC3)C[C@H]2CO1 1857734100 DWVLJORGEHELKY-XBFCOCLRSA-N 266.385 1.545 0 50 CDAA COC(=O)COc1ccc(Cl)cc1C(=O)OC 6668275 RNVVAROFONQMJJ-UHFFFAOYSA-N 258.657 1.678 0 50 CDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccncc1 100453241 JEQXDKJVOONSFR-STQMWFEESA-N 299.330 1.361 0 50 CDAA COc1ccc(NC(=S)N2CCOCC2)c(OC)c1 8830282 WGCBJMMGDXVFAG-UHFFFAOYSA-N 282.365 1.733 0 50 CDAA CCn1c(S)nnc1CNC(=O)CC[C@@H]1CCCCO1 110715384 VYALWNGPAQIGMX-JTQLQIEISA-N 298.412 1.552 0 50 CDAA CCCC(=O)NC[C@H]1CCCN(CC[C@H](C)O)C1 225521098 NNBBLDHKMRJCGM-QWHCGFSZSA-N 256.390 1.386 0 50 CDAA COCCCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 59740413 SJCWZWSMDMUXRA-GFCCVEGCSA-N 284.400 1.424 0 50 CDAA Cc1nc(CC(=O)Nc2cn(C)nc2C)cs1 172758458 YXMSXFLOIKTBCC-UHFFFAOYSA-N 250.327 1.675 0 50 CDAA CCOC(=O)C1(NC(=O)c2cn3ccsc3n2)CCC1 65535114 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CC(C)n1cc(-c2nc(CN3CCN(C)CC3)no2)cn1 95361304 FWOZPBAGCBRAHB-UHFFFAOYSA-N 290.371 1.261 0 50 CDAA Cc1[nH]nc(C(=O)NCc2nccn2C)c1Cl 426402172 XYDYGDHVKDIUML-UHFFFAOYSA-N 253.693 1.035 0 50 CDAA Cc1nnc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)s1 239165062 NJYSFOZXGNKPHG-IZOAKFFESA-N 287.344 1.404 0 50 CDAA CC(C)n1cncc1CSc1nnc(CN)n1C 90236930 QRMNIKVMGSEPQM-UHFFFAOYSA-N 266.374 1.344 0 50 CDAA CN(Cc1ccon1)c1cc([C@@H]2CCOC2)ncn1 426674100 CTGQLVAEFFBLJJ-SNVBAGLBSA-N 260.297 1.605 0 50 CDAA COc1ccc2c(c1)CCN(CCn1cnnc1)CC2 95388446 CZMZLTCFGGWHJC-UHFFFAOYSA-N 272.352 1.388 0 50 CDAA COCCSc1nnc(CCN)n1-c1ccc(F)cc1 426368208 GEDMPLZCZXLFKA-UHFFFAOYSA-N 296.371 1.646 0 50 CDAA COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1 239439299 ZSIKAGWRGIBEAD-FVCCEPFGSA-N 289.287 1.288 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2C)C1 178964550 JLYISJSWGMYGKT-LBPRGKRZSA-N 278.400 1.628 0 50 CDAA OC1CCN(c2ccnc(-c3ccc4c(c3)OCO4)n2)CC1 97631889 LJDPVYWPQNGOKV-UHFFFAOYSA-N 299.330 1.833 0 50 CDAA Cc1csc([C@H](C)N(C)C(=O)c2[nH]cnc2C(=O)O)n1 97604117 ARLLNGOSFBEMEL-ZETCQYMHSA-N 294.336 1.706 0 50 CDAA CCN(CCC1=CCCCC1)Cc1nc(C(N)=O)no1 244594275 DJUJSJGUXGKOCX-UHFFFAOYSA-N 278.356 1.881 0 50 CDAA Cc1n[nH]cc1CN(C)[C@@H](C)C(=O)Nc1ccccn1 252489469 JROUNJPQSUANHI-NSHDSACASA-N 273.340 1.572 0 50 CDAA C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(F)cc1F 299748582 HNDTVGJJJCDTIG-GGVZMXCHSA-N 283.274 1.905 0 50 CDAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)n[nH]1 252536719 JGWQUCNKLPBKDN-IINYFYTJSA-N 288.351 1.609 0 50 CDAA O=C(NCC1(Cn2cccn2)CC1)c1cscn1 534649381 JVLMUMWYRJOLKS-UHFFFAOYSA-N 262.338 1.550 0 50 CDAA CC(C)N(C)CCNC(=O)NC[C@@H](O)c1cccc(O)c1 534646493 JLYUBAFUZLNLBH-CQSZACIVSA-N 295.383 1.065 0 50 CDAA Cc1cnn([C@H](C)CNS(=O)(=O)CC2CCCC2)c1 534658178 YFWLIRWIKUOISL-GFCCVEGCSA-N 285.413 1.862 0 50 CDAA Cc1cnc(C)c(NCCn2ncc3ccccc3c2=O)n1 534577758 YBEFGBWETJFOQU-UHFFFAOYSA-N 295.346 1.915 0 50 CDAA CCCn1ccnc1CNC(=O)C(C)(C)OCC 534632381 GOGJQOUSXVLFAM-UHFFFAOYSA-N 253.346 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312523173 DMWRVBBPOOQACZ-UHFFFAOYSA-N 280.372 1.910 0 50 CDAA COc1c(C)[nH]ccc1=NC(=O)[C@@H]1CCn2nccc2C1 2100547375 ICEQCIGXWPJTNP-LLVKDONJSA-N 286.335 1.218 0 50 CDAA CC(C)(C(=O)NO[C@H]1CCOC1)C1=CCSCC1 2325797426 SPFRSYDIHCKYGB-NSHDSACASA-N 271.382 1.913 0 50 CDAA C[C@@H](C(=O)NCc1cc(C(=O)O)co1)N1CCSCC1 910311381 XJNWLFOTLMRGSD-VIFPVBQESA-N 298.364 1.031 0 50 CDAA Cc1c(C)c2ccc(OCC(N)=O)c(C)c2oc1=O 186436 ZMYUHTUYLKGOQE-UHFFFAOYSA-N 261.277 1.582 0 50 CDAA biogenic CC1=NN(C(=O)c2cccc(O)c2)[C@@](O)(C(F)(F)F)C1 304736 MXFNXMKLVYXZOR-NSHDSACASA-N 288.225 1.865 0 50 CDAA COC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 379996 MEYZAXSQTZYJQQ-UHFFFAOYSA-N 291.756 1.587 0 50 CDAA CCOC(=O)C(=O)Nc1ccc(Br)cc1 2568755 RWWFLEVLFXJHIB-UHFFFAOYSA-N 272.098 1.951 0 50 CDAA COC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1 2577432 RMSFFUYFWWLAGV-UHFFFAOYSA-N 273.329 1.576 0 50 CDAA CC(C)(C)c1ccc(OCC(=O)Nn2cnnc2)cc1 2951422 WGZGDHLCQLSJTI-UHFFFAOYSA-N 274.324 1.725 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)CSc1nncn1C 3217091 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Cc1cccc([C@@H](C(=O)N2CCc3[nH]cnc3C2)N(C)C)c1 65435185 LMITUYIPTJEJNB-INIZCTEOSA-N 298.390 1.906 0 50 CDAA Cc1cccc(CS(=O)(=O)NC[C@H]2CCCN2)c1 178917420 PQPDVJUTLNRIGI-CYBMUJFWSA-N 268.382 1.166 0 50 CDAA Cc1ccc(N2CCN(C(=O)c3ccco3)CC2)nn1 67601827 FKXFJNQBRVWCKG-UHFFFAOYSA-N 272.308 1.340 0 50 CDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@H]1CCCOC1 279417890 SUEDBHRUCIBTSG-RYUDHWBXSA-N 293.367 1.679 0 50 CDAA CC(C)N(C(=O)c1cc(CN2CCOCC2)on1)C(C)C 67885375 YJOLQCWJSVQGHL-UHFFFAOYSA-N 295.383 1.766 0 50 CDAA O=C(c1ccon1)N(CCO)Cc1ccccc1F 216141825 WFHWWEJFXMDCKE-UHFFFAOYSA-N 264.256 1.448 0 50 CDAA CCC1(O)CCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)CC1 330889336 GUHWRAYWZYXTAU-CHWSQXEVSA-N 285.384 1.334 0 50 CDAA CC(C)COc1cncc(N2C[C@H]3COC[C@@H](C2)O3)n1 328767894 BLOZABAWGHKJFI-TXEJJXNPSA-N 279.340 1.115 0 50 CDAA Nc1nccc(C2CCN(Cc3cccnc3)CC2)n1 215689844 AZZYUZGGULNUAH-UHFFFAOYSA-N 269.352 1.833 0 50 CDAA Cc1ccc(CN2CCO[C@@H](CCO)C2)c(F)c1 215554002 USRGDYXHPRUTHO-ZDUSSCGKSA-N 253.317 1.717 0 50 CDAA Cc1nc(CC(=O)N(C)Cc2ncc[nH]2)c(C)s1 360757975 ZUJUFMJVMXOULV-UHFFFAOYSA-N 264.354 1.684 0 50 CDAA C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)C[C@@H](C)N1 153776475 DEKQJCJFGBWWME-KMUUFKDPSA-N 286.375 1.844 0 50 CDAA CCS(=O)(=O)NCCN1Cc2ccccc2O[C@H](C)C1 366544759 NMUYMEIAXZGTLI-GFCCVEGCSA-N 298.408 1.209 0 50 CDAA CC(C)[C@H](NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)O 236772838 LMPAZQFTOUTUSK-ZDUSSCGKSA-N 287.319 1.711 0 50 CDAA Cc1cccc2cc(C(=O)N3CC[C@H](CO)[C@H](O)C3)oc12 72172401 LEOARMKYHAJDEV-CHWSQXEVSA-N 289.331 1.557 0 50 CDAA CN(C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC1 368364739 XBOWBVWRSUACTA-QWRGUYRKSA-N 295.383 1.656 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)c1cccs1 128237708 HVEZRJYSYVPOBU-MRVPVSSYSA-N 255.295 1.064 0 50 CDAA CCCc1cc(NCCc2ncnn2C)n2nccc2n1 72457190 WEBSWQAVRCFHHI-UHFFFAOYSA-N 285.355 1.465 0 50 CDAA CN(C(=O)C[C@H]1CCCCNC1=O)C1CCC(CO)CC1 375625180 NJRMONWRNNZXAG-ROKHWSDSSA-N 296.411 1.302 0 50 CDAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](N)C1 157863945 NAHOXCHYNTZCRQ-VHSXEESVSA-N 284.306 1.682 0 50 CDAA COCCc1noc(-c2ccc(-c3cc[nH]n3)nc2)n1 72125655 KJRFVATYEUYFDI-UHFFFAOYSA-N 271.280 1.711 0 50 CDAA Oc1nc2ccccc2cc1CN1C[C@H](O)C2(CC2)C1 336432098 PEHVUHZKOKTCHA-AWEZNQCLSA-N 270.332 1.897 0 50 CDAA CC(C)CNC(=O)Cn1nc(-c2ccccc2)ccc1=O 40288317 BVYPJZPAAANZSI-UHFFFAOYSA-N 285.347 1.683 0 50 CDAA C[C@@H]1SC2(NC1=O)[C@H]1CC3C[C@H]2CC(O)(C3)C1 136476923 OTZPXZDUYKDXMF-USCQYFMISA-N 253.367 1.505 0 50 CDAA O=C(NCc1nnc2n1CCC2)[C@@H]1COc2ccccc2C1 48353604 GUWJZBXYKDYLCN-LBPRGKRZSA-N 298.346 1.092 0 50 CDAA CCc1c(C)sc2ncn([C@H](C)CO)c(=O)c12 43088962 XMHQRDKEKIZWQV-SSDOTTSWSA-N 252.339 1.882 0 50 CDAA CCn1ncnc1[C@@H](NC(=O)c1c(C)noc1C)C1CC1 222266168 LISSQKIINFYJEY-LBPRGKRZSA-N 289.339 1.784 0 50 CDAA CCCOC[C@H]1CCN(C(=O)Nc2ncn(C)n2)C1 48501686 NRPBDJIQFFYEPQ-JTQLQIEISA-N 267.333 1.096 0 50 CDAA Cc1nc(C(=O)N2CCCOC2)nn1-c1ccc(F)cc1 288450511 PCUAFGRVDYXFGP-UHFFFAOYSA-N 290.298 1.535 0 50 CDAA Cc1cccc(CNC(=O)N2CCC[C@@H]2Cn2cccn2)n1 426628795 QUAOAUYAPSQBEE-OAHLLOKOSA-N 299.378 1.961 0 50 CDAA Cc1ccn2c(C(=O)N[C@@H](C)Cn3cncn3)c(C)nc2c1 426401799 HYAYZVWDRTUOEF-NSHDSACASA-N 298.350 1.361 0 50 CDAA CC(C)c1nc(CCN(C)C(=O)[C@H](C)N(C)C)no1 426361083 AKMFVWJQTAAQSP-JTQLQIEISA-N 268.361 1.144 0 50 CDAA Cn1nc(C(F)F)cc1C(=O)NC1(C(=O)O)CCC1 426621606 JBZXKQCWTCCRFZ-UHFFFAOYSA-N 273.239 1.095 0 50 CDAA CN1CCCN([C@H]2CCSC2)CC12CCNCC2 426701770 XWTTXPXOHIXGRA-ZDUSSCGKSA-N 269.458 1.252 0 50 CDAA O=C(N[C@H]1CNCC[C@H]1O)c1[nH]c2ccccc2c1Cl 426552353 PWDROBGDMKOQFL-WDEREUQCSA-N 293.754 1.274 0 50 CDAA CN(C[C@H]1COCCO1)C(=O)Cn1ccc2ccccc21 220310027 MEKHNUYPHKKXOQ-AWEZNQCLSA-N 288.347 1.515 0 50 CDAA COCc1noc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)n1 329389548 UOIDOOQBYGCRBJ-JTQLQIEISA-N 292.343 1.022 0 50 CDAA CCc1nc(CN(C)C(=O)[C@@H](C)n2ccnc2)no1 426737318 BFOGBDBXOBCDIO-SECBINFHSA-N 263.301 1.048 0 50 CDAA O=C(NCc1nccs1)N1CCCC[C@H]1CO 426685234 DDODJNKMKYGRNS-VIFPVBQESA-N 255.343 1.200 0 50 CDAA O=C(Cc1ccsc1)NCc1noc([C@@H]2CCCO2)n1 223241733 STDAIABMPJQDMA-JTQLQIEISA-N 293.348 1.842 0 50 CDAA Cc1cc(C)nc(NCC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)n1 225424783 BCFLKCXIGKONEL-MELADBBJSA-N 286.379 1.834 0 50 CDAA C/C=C/CC(=O)N1CCC[C@H](c2ccn(CC(=O)O)n2)C1 426402063 ULONTRUBQNWIAZ-JDGPPOGSSA-N 291.351 1.640 0 50 CDAA CCC[C@H]1CN(C(=O)CCc2ccccn2)C[C@@H]1N 91616943 BCVXVKJWZYRSIX-JSGCOSHPSA-N 261.369 1.600 0 50 CDAA CCC[C@@H]1CN(c2cc(C#N)ccn2)C[C@H]1NC(C)=O 95515205 ZSIQXLIKBNQXNU-ZIAGYGMSSA-N 272.352 1.694 0 50 CDAA C1CCN(CCCc2nc([C@H]3CCOC3)no2)CC1 96147972 VNSAPAKCOOGNMT-LBPRGKRZSA-N 265.357 1.992 0 50 CDAA CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)O2 239310504 IMUCJCZGLFRGMU-FOCJUVANSA-N 291.347 1.274 0 50 CDAA CCc1nc(CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)no1 179203172 FEMZGZSXYVPOEY-INIZCTEOSA-N 299.330 1.849 0 50 CDAA O=C(Cc1nc(O)n[nH]1)N1CC=C(c2ccccc2)CC1 426471000 YPOOUHXWMLUGPQ-UHFFFAOYSA-N 284.319 1.369 0 50 CDAA COCCC[C@@]1(C(=O)O)CCCN(c2nccc(N)n2)C1 91695806 HFUFCTHFZJCEAU-AWEZNQCLSA-N 294.355 1.157 0 50 CDAA O=C1NCC[C@H]1N1CCC(COc2ccccc2)CC1 178192954 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239184774 QYLRKLRVQQRJDU-GWOFURMSSA-N 279.317 1.019 0 50 CDAA OC[C@H]1CCCN(CCNCc2cnccc2Cl)C1 952868640 BVZZVAIXCAJLCF-LBPRGKRZSA-N 283.803 1.529 0 50 CDAA COc1c[nH]nc1NC(=O)c1ccc(N(C)C)c(F)c1 1452684030 BMESVMROKQHNLS-UHFFFAOYSA-N 278.287 1.876 0 50 CDAA CCC[C@@H]1C(=O)NCCN1C(=O)CC1(O)CCCCC1 305741198 RUSQKVCHGDUQRV-GFCCVEGCSA-N 282.384 1.199 0 50 CDAA CNc1cc(C)nc(N[C@H]2CCOC[C@@H]2OCC2CC2)n1 1565528359 AUMDZVXRKCMEPG-STQMWFEESA-N 292.383 1.823 0 50 CDAA O=C(NCC1=CCCOC1)N1CCC2(CCO2)CC1 573637170 FXQFPEIVTMXDBU-UHFFFAOYSA-N 266.341 1.298 0 50 CDAA Fc1cccnc1NCc1cn(C[C@@H]2CCOC2)nn1 630953506 HDSSBXXJRZZXMW-JTQLQIEISA-N 277.303 1.461 0 50 CDAA COc1ccnc(CNC(=O)c2nnc(C3CC3)o2)c1F 631446462 ZKGGYLPLOGDUKJ-UHFFFAOYSA-N 292.270 1.420 0 50 CDAA CCCn1ncc(C(=O)N2C[C@H](O)C3(CC3)C2)c1C1CC1 547982087 VKMNKLSAOSAHCP-ZDUSSCGKSA-N 289.379 1.767 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)C[C@H]1C=CCC1 275307579 HOXZZRCXOQDYIL-OBJOEFQTSA-N 275.352 1.723 0 50 CDAA NC(=O)[C@@H](NC[C@H]1CCc2nccn2C1)c1ccccc1 275577374 OUFCXWODRQOJGX-DOMZBBRYSA-N 284.363 1.262 0 50 CDAA COC(=O)CC1(NC(=O)c2cc[nH]c2C)CCOCC1 170022508 LZZFFCBXLVFJQZ-UHFFFAOYSA-N 280.324 1.165 0 50 CDAA CC[C@@H](NC(=O)C(=O)O)c1ccc2c(c1)OCCO2 170596110 BWAQAHGKCXYPCS-SECBINFHSA-N 265.265 1.110 0 50 CDAA O[C@@H]1C[C@H](Nc2ncccc2Cl)[C@H]1n1cccn1 664112620 OLZMKECDDUBNKH-HBNTYKKESA-N 264.716 1.718 0 50 CDAA O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc[nH]n1 187808635 KMTIPFNDRSVCTB-KWQFWETISA-N 291.273 1.623 0 50 CDAA CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1O 191656575 FOGHWBWRRMMPCG-MRVPVSSYSA-N 268.288 1.128 0 50 CDAA CC(C)(C)c1n[nH]c(CN2CC[C@H](n3cncn3)C2)n1 645001198 CVWVFBPUFFBAET-JTQLQIEISA-N 275.360 1.141 0 50 CDAA Cn1ccc(CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)n1 560346572 UDKDHEOZSBUHLC-UHFFFAOYSA-N 298.346 1.580 0 50 CDAA COC[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 192926480 CEDNGKGOEAOBCK-SNVBAGLBSA-N 263.746 1.577 0 50 CDAA Cn1nccc1Cn1cccc(Br)c1=O 193077501 KLGKTZKLZKIZOA-UHFFFAOYSA-N 268.114 1.393 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)Cc2ccsc2)cn1 193006056 XPFBUUOGIRTJEY-UHFFFAOYSA-N 293.348 1.946 0 50 CDAA O=C(O)c1ccc(CNC(=O)[C@@H]2CCCO2)nc1C1CC1 649253217 UXCVXAUVJVGDTG-LBPRGKRZSA-N 290.319 1.452 0 50 CDAA Cn1c(Cl)cnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583618828 PRFJCBGVQZHQDD-TUAOUCFPSA-N 299.802 1.435 0 50 CDAA Cc1ncsc1CCn1ccnc1CN1CCOCC1 585118635 WMKOLIBVQLWRGF-UHFFFAOYSA-N 292.408 1.723 0 50 CDAA CON(C)CCNCc1ccnn1-c1ccc(F)cc1 585118350 LKDDTPJVZXKYML-UHFFFAOYSA-N 278.331 1.594 0 50 CDAA CCC(C)(C)[C@@H](O)C(=O)NCCc1ccccn1 585121665 VHGBHUONPJWNRW-LBPRGKRZSA-N 250.342 1.537 0 50 CDAA C[C@@H](CC(=O)N1CCC[C@H]1c1cccnc1)NC(N)=O 654419488 ZCEWJVQXUBGREM-JQWIXIFHSA-N 276.340 1.192 0 50 CDAA O=C(c1cc(F)cc(Cl)c1)N1C[C@@H](O)[C@H](F)C1 952871746 DCHCTIUTCDOVPQ-NXEZZACHSA-N 261.655 1.634 0 50 CDAA OC1(Cn2ccnn2)CCN(Cc2cccc(F)c2)CC1 1615538183 SLBNILSVFORBAQ-UHFFFAOYSA-N 290.342 1.444 0 50 CDAA C1CC2(CCN1)CCN(CC[C@@H]1COCCO1)CC2 1775980180 WEXKYJSCJPKPFY-CQSZACIVSA-N 268.401 1.258 0 50 CDAA CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 858431 QTKIDUARYKGAAQ-STQMWFEESA-N 269.366 1.923 0 50 CDAA CCSc1nc(CC(=O)N[C@H]2CC[C@H](N)C2)cs1 211437743 YDFQNWFXANFJEK-IUCAKERBSA-N 285.438 1.794 0 50 CDAA O=C(O)CC[C@H]1CCCN(C(=O)NCc2cscn2)C1 111630918 JINYSSYGKLYJDS-SNVBAGLBSA-N 297.380 1.930 0 50 CDAA Cc1c(C(=O)N2C[C@H](O)[C@H](Cc3ccncc3)C2)ccn1C 1704280571 GMSILICZADADFE-ZBFHGGJFSA-N 299.374 1.404 0 50 CDAA Oc1n[nH]c2ccc(I)cc12 14983587 VPUMHNMIQKJAHK-UHFFFAOYSA-N 260.034 1.873 0 50 CDAA in-vitro O=C(N[C@H]1CCCN2CCC[C@@H]12)c1n[nH]c2c1CCC2 1772818403 DCBBHBFJWXDOQZ-STQMWFEESA-N 274.368 1.255 0 50 CDAA CN(CC(=O)N1C[C@H]2C[C@@]2(C)C1)Cc1ccncc1 1772819395 TUKRLIPOKOILEP-HIFRSBDPSA-N 259.353 1.382 0 50 CDAA C[C@@H]1CN2C[C@@H](NC(=O)c3ccc(F)cc3F)C[C@H]2CO1 1857696835 FDDCRDNOAMKAAS-USWWRNFRSA-N 296.317 1.556 0 50 CDAA CN1CC2(C1)CN(C(=O)CCCc1cccs1)C2 1857699380 SONXHXVMXXRYEH-UHFFFAOYSA-N 264.394 1.845 0 50 CDAA Cc1[nH][nH]c(=Nc2ccccc2)c1NC(=O)[C@@H]1CCOC1 1857711465 BDXNEWIJIBNQSN-LLVKDONJSA-N 286.335 1.859 0 50 CDAA O=C([C@@H]1CCNC1)N1CCO[C@@H](c2ccccc2Cl)C1 237654600 BRBINUWXPCBFQH-BXUZGUMPSA-N 294.782 1.849 0 50 CDAA Cc1cc(C(=O)N[C@H](C)C(=O)O)c2ccc(F)cc2n1 225483402 ICPPHXJOAAJZHL-MRVPVSSYSA-N 276.267 1.885 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)ns1 618205182 NUYULOTZNNLGOU-UWVGGRQHSA-N 279.365 1.192 0 50 CDAA CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc[nH]n1 113073856 NQAJLBMSLPUALG-ONGXEEELSA-N 296.396 1.086 0 50 CDAA CNC(=O)c1cccnc1N1CCC([C@H]2CCNC2)CC1 420254764 HAEOMYVSLHEKIK-ZDUSSCGKSA-N 288.395 1.267 0 50 CDAA CCN1CCN(C(=O)[C@@H]2CCCCO2)C[C@H]1c1ncc[nH]1 328640582 XMYSCDVVPYADAC-STQMWFEESA-N 292.383 1.184 0 50 CDAA COCC1(CNC(=O)N[C@H](C)CSC)CCC1 252499030 RTZKWLBHEKQTGP-SNVBAGLBSA-N 260.403 1.854 0 50 CDAA O=C(O)C1(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)CC1 372886768 ZKNGXMXLFXFZKK-MRVPVSSYSA-N 283.230 1.379 0 50 CDAA C[C@H](NC(N)=O)C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C 266968982 WFPOIQIBKHYLMT-OUCADQQQSA-N 289.379 1.523 0 50 CDAA C[C@H]1CNCCN1C(=O)CO[C@H]1CCC[C@@H](C)C1 126277907 KKEMQGNZIQXDSG-AGIUHOORSA-N 254.374 1.402 0 50 CDAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccsc3)C[C@@H]12 1704335111 LGXGPQRRNWHMQA-UKRRQHHQSA-N 294.420 1.667 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(c3cc(N4CCCC4)ncn3)CC[C@H]21 906150663 NGKPNRVCGIOTLC-UHIISALHSA-N 288.351 1.234 0 50 CDAA CCn1ncc(C(=O)N2CCC[C@H]2c2cc(C)no2)n1 815025625 WQKRYCPJKIRCJQ-NSHDSACASA-N 275.312 1.572 0 50 CDAA CC(=O)N1CCO[C@H](C(=O)Nc2nccc3ccccc23)C1 821746117 UPCOTXXWJRRHBZ-AWEZNQCLSA-N 299.330 1.421 0 50 CDAA CCC(=O)NC[C@@H]1Cc2ccccc2CN1c1ncccn1 1112211773 WWVZUKNIHGELRI-HNNXBMFYSA-N 296.374 1.934 0 50 CDAA O=S1(=O)CCC[C@H](CN2CCC(c3ncco3)CC2)C1 931444981 WYJDNOODQLKMSO-GFCCVEGCSA-N 298.408 1.679 0 50 CDAA Cc1nc(N2CCN([C@H](C)c3ncc(C)o3)CC2)n[nH]1 931627393 AKFQKNNJXYJULF-SNVBAGLBSA-N 276.344 1.293 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)O 235606448 FOMZUCGOCGDDPG-QPUJVOFHSA-N 279.340 1.362 0 50 CDAA CC(C)CN1C[C@@H](C(=O)N2CCCSC2)CC1=O 952877556 RHYFPQYCHZODOY-NSHDSACASA-N 270.398 1.414 0 50 CDAA Cc1nc([C@H]2CCCN2C[C@H](O)Cn2cccn2)[nH]c1C 952994895 VZYDQTXMAVRPQY-UONOGXRCSA-N 289.383 1.421 0 50 CDAA C=CC(=O)N[C@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875369961 SWHDVASSMBGDDT-HTRCEHHLSA-N 259.231 1.673 0 50 CDAA Cn1cnc(CNC(=O)c2cc(Cc3ccccc3)on2)n1 1875309428 QUKPPSHIIAIVNY-UHFFFAOYSA-N 297.318 1.324 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCCC[C@H]1COC(F)F 1875371167 RJZPWPSPJVHZNG-JTQLQIEISA-N 290.310 1.251 0 50 CDAA CSc1nc(NC(=O)Cc2ccco2)nn1C 1775997563 HVDUEOVSXZJRMX-UHFFFAOYSA-N 252.299 1.311 0 50 CDAA O=C1NCc2ccc(C(=O)NCCc3ccncc3)cc2N1 1776003379 MABQPQXITXBGOE-UHFFFAOYSA-N 296.330 1.689 0 50 CDAA CC[C@](C)(CC(=O)O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 899851395 UFDFLTRPACZYDG-JZYRJIPVSA-N 267.325 1.169 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)[C@]1(C)CCCCN1 136125140 XHCIPAZCDYCBRQ-AWEZNQCLSA-N 265.357 1.782 0 50 CDAA C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)CC(=O)O 157787636 ILISPPGFBQBYPF-SECBINFHSA-N 279.292 1.298 0 50 CDAA C[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(F)cc(F)c2)C1 334689525 UUCIYQXOUJSRFF-LDYMZIIASA-N 291.319 1.356 0 50 CDAA COC[C@H]1CCCCN(C(=O)c2cc(C)nc(O)c2)C1 375113845 KFROXPKRBZFDQI-LBPRGKRZSA-N 278.352 1.984 0 50 CDAA CN(C)CC1(O)CCN(C(=O)[C@@H]2CC23CCCC3)CC1 584886645 BLDKWYAQNXTVAH-ZDUSSCGKSA-N 280.412 1.482 0 50 CDAA Cc1ncoc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1342108831 MGEGLNSNOSOXQG-VXGBXAGGSA-N 257.293 1.338 0 50 CDAA CC(=O)N1CCN(c2ncnc3ccccc23)CC1 90443 IFRJYGYBDLCAKJ-UHFFFAOYSA-N 256.309 1.298 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)NCCCOc1cccnc1 2100547856 PCWYHQWYMXORAP-GFCCVEGCSA-N 297.424 1.436 0 50 CDAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1ccc([C@@H](C)N)cc1 1857527079 WFCCVKAPBLIUII-NRUUGDAUSA-N 264.325 1.449 0 50 CDAA C1=C[C@H]2C[C@H]1C[C@@H]2CN1CCN(c2ncccn2)CC1 101167858 YQXCLJCAFQPUGE-SOUVJXGZSA-N 270.380 1.811 0 50 CDAA O=C(SCc1c[nH]c(=O)[nH]c1=O)c1ccccc1 336272 KLYRIXVXYCOOES-UHFFFAOYSA-N 262.290 1.137 0 50 CDAA C[C@@H]1C[C@@H](NC(=O)CCc2n[nH]c3ccccc23)C(=O)O1 2325766453 UYQXGZOEIXVPSK-NOZJJQNGSA-N 287.319 1.316 0 50 CDAA C[C@H](CN1CC[C@](O)(c2cc[nH]n2)C1)CC(F)(F)F 2325772101 ZDANBXNUAHKNKZ-GXSJLCMTSA-N 277.290 1.892 0 50 CDAA CC[C@H](C)C[C@@H](C)CN1C(=O)N(CC(N)=O)C(C)(C)C1=O 2325783360 RGPVHMJHDVZLFV-WDEREUQCSA-N 297.399 1.587 0 50 CDAA Cc1nc(CCN)sc1C(=O)NCc1ccoc1 2325795396 DCHBEHRJVWVTBD-UHFFFAOYSA-N 265.338 1.476 0 50 CDAA C[C@H]1CCn2c(C(=O)N(C)CC3(O)CCCC3)cnc2C1 2325798604 GBTYGSKKCALWLB-LBPRGKRZSA-N 291.395 1.843 0 50 CDAA CN(C(=O)c1ccc(Br)nc1N)c1cn[nH]c1 2325840707 MLGFTJBILKBUNF-UHFFFAOYSA-N 296.128 1.426 0 50 CDAA O=C(O)c1occc1CNc1cc(OCCO)ccn1 2325866370 IUJFUTFXKKIARV-UHFFFAOYSA-N 278.264 1.356 0 50 CDAA O=C1C[C@H](NCc2ccncc2)C(=O)N1c1ccccc1 49498 VLEUTQWKOOZXOW-AWEZNQCLSA-N 281.315 1.503 0 50 CDAA CC1(C)SC[C@H](C(=O)Nc2ccccc2)N1C=O 77929 WBZVVMDFTLGLJE-LLVKDONJSA-N 264.350 1.935 0 50 CDAA CC(=O)N[C@@H](C)Cc1c(C(=O)O)[nH]c2ccccc12 192488 JCOKHKWSBDTOOB-QMMMGPOBSA-N 260.293 1.933 0 50 CDAA biogenic NC(=O)[C@@]1(c2ccccc2)CCCN1C(=O)c1ccco1 195144 LCFHRAZPBTWRFF-INIZCTEOSA-N 284.315 1.896 0 50 CDAA COCc1nnc(NS(=O)(=O)Cc2ccccc2)s1 199417 WLEVIFHMMZGWMD-UHFFFAOYSA-N 299.377 1.626 0 50 CDAA O=C(Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 266708 PAWMCORUNPSBNX-UHFFFAOYSA-N 298.342 1.807 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(O)c1 392998 DXOBDEKBOIZKAX-LBPRGKRZSA-N 292.291 1.202 0 50 CDAA O=C([C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 483710 JEQOHNPGACHACZ-CQSZACIVSA-N 278.327 1.653 0 50 CDAA CSc1nc(NCC(C)C)nc(N2CCOCC2)n1 529255 JLPLUZUSDJIKGD-UHFFFAOYSA-N 283.401 1.498 0 50 CDAA CS(=O)(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 1061696 QUZCLDDLFMLRPR-UHFFFAOYSA-N 294.332 1.581 0 50 CDAA N=c1ccc(-c2cnc3c(N4CCOCC4)nccn23)c[nH]1 2356137634 SNZDNQMZGAKNOH-UHFFFAOYSA-N 296.334 1.040 0 50 CDAA O=C(O)CC[C@@H](NC(=S)Nc1ccccc1)C(=O)O 2290467 BKDFTHVYEAKALU-SECBINFHSA-N 282.321 1.291 0 50 CDAA O=C(c1ncccc1O)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356141221 YLYANNJFPPTSCG-INIZCTEOSA-N 298.346 1.631 0 50 CDAA COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C 2530792 AJMOLNFDYWTVQW-QWRGUYRKSA-N 258.362 1.064 0 50 CDAA in-vitro CCCN1CCC[C@@]2(CCCN2C(=O)c2cn[nH]c2)C1=O 2356162034 UVGGXNMREFDOCG-OAHLLOKOSA-N 290.367 1.417 0 50 CDAA O=C(CNc1ccc(F)cc1)N[C@H]1CC[C@@H](C(=O)O)CC1 2356169766 ZBRPTPPBXZCXIC-GSJFWJNXSA-N 294.326 1.997 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 3443662 BXKVHIRYGRVQKT-NSHDSACASA-N 297.376 1.878 0 50 CDAA CN(C)CCN1C(=O)c2cccc3cccc(c23)C1=O 4071506 AZFCDSPUTDVZDH-UHFFFAOYSA-N 268.316 1.997 0 50 CDAA Cc1cccc(C(=O)NCCNC(=O)c2cccnc2)c1 4487323 YKTZWACBZWYZTG-UHFFFAOYSA-N 283.331 1.550 0 50 CDAA O=C(C1CCNCC1)N1CCN(c2ccccc2F)CC1 4707002 ZVVWEAPAFUORTR-UHFFFAOYSA-N 291.370 1.474 0 50 CDAA Cc1cc(NC(=O)C(=O)NCc2cccs2)no1 4839488 XXLJHUCQRJGHPI-UHFFFAOYSA-N 265.294 1.299 0 50 CDAA CC(=O)Nc1ccc(OC[C@@H](O)Cn2cccn2)cc1 4988207 RSFIQKQJUANTDL-ZDUSSCGKSA-N 275.308 1.281 0 50 CDAA Nc1nc(Br)cc(Br)n1 59269073 SJGGFMZIJOFJAA-UHFFFAOYSA-N 252.897 1.584 0 50 CDAA in-vitro Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN)cc1C 111372842 ZVSGHBMLPSXTKD-GFCCVEGCSA-N 268.382 1.415 0 50 CDAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F 55008599 TXPNUHNRMILGPZ-ZDUSSCGKSA-N 294.326 1.079 0 50 CDAA Cc1ccc(C)c(NC(=O)CCN2CCN(C=O)CC2)c1 20806945 BQVYRZMWBLRZSC-UHFFFAOYSA-N 289.379 1.406 0 50 CDAA CC(=O)C(Sc1nc2nc(C)cc(C)n2n1)C(C)=O 100642297 MTRALNZXMVPZGD-UHFFFAOYSA-N 278.337 1.380 0 50 CDAA Cc1cc(OC[C@H](O)CN[C@H](C)CCO)ccc1Cl 20109927 ZEOGYNAGHYBYCU-VXGBXAGGSA-N 287.787 1.749 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N(C)c1ccccn1 134534350 GKSKSPTWTZESFV-NSHDSACASA-N 257.293 1.907 0 50 CDAA CC1(C)C[C@]1(C(=O)Nn1cnnc1)c1cccs1 67725800 KNMBHESVQPMLLE-GFCCVEGCSA-N 262.338 1.778 0 50 CDAA COC(=O)CC1CCN(C(=O)c2ccco2)CC1 20135363 TWBMZGYYTRXQJL-UHFFFAOYSA-N 251.282 1.695 0 50 CDAA CCN1CCN(C[C@H](O)CO[C@@H]2CCC[C@@H]2C)CC1 20707533 HOQJEEHSQKXMCX-SOUVJXGZSA-N 270.417 1.190 0 50 CDAA Cc1nc(C)n(CCCNC(=O)c2sc(N)nc2C)n1 67948086 NYTMYCTVJZVYAV-UHFFFAOYSA-N 294.384 1.062 0 50 CDAA CSCC[C@@H]1c2nc[nH]c2CCN1Cc1cncn1C 67850337 NHRFUHUFQLIPER-CYBMUJFWSA-N 291.424 1.996 0 50 CDAA CC(C)(C)OC(=O)N1CCC(C(=O)N2CCNCC2)CC1 21984188 YAFVLOOBEOCICL-UHFFFAOYSA-N 297.399 1.065 0 50 CDAA O=C(O)C1(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 118994164 JHWFQERVSQWPPZ-JTQLQIEISA-N 275.304 1.534 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(CCOC2)[C@H](CN)C1 1535639524 LOVAHUZBIRDDQH-BXUZGUMPSA-N 270.373 1.609 0 50 CDAA CC(C)(C)OC(=O)N1CCC(Nc2nc(N)n[nH]2)CC1 1535643268 FUBOOQFJLUKTOL-UHFFFAOYSA-N 282.348 1.198 0 50 CDAA CCCN1C[C@H](Nc2ncc(C)c(N(C)C)n2)CC1=O 65395042 RAOSBOMVDYUNGH-LLVKDONJSA-N 277.372 1.274 0 50 CDAA NC[C@@H]1CCN(Cc2cnc(NCc3ccccc3)nc2)C1 67758090 KHRXQLCMLVVHNH-HNNXBMFYSA-N 297.406 1.869 0 50 CDAA CCCN1CCC[C@@H](c2nc3c([nH]2)CCCNC3=O)C1 65399285 OTJILPAKOHHGHX-LLVKDONJSA-N 276.384 1.675 0 50 CDAA Cc1nccn1-c1cncc(N[C@H]2CCO[C@H]2C2CC2)n1 329154115 UOCDLLFPJRWWQX-WFASDCNBSA-N 285.351 1.950 0 50 CDAA OCCN(Cc1ccccc1)Cc1cnn2cccnc12 216361320 NWDHWUDVPJKULY-UHFFFAOYSA-N 282.347 1.724 0 50 CDAA O=C(NCCc1c[nH]cn1)c1cccc2ccnn12 72153445 XDQTVOPWAIAADC-UHFFFAOYSA-N 255.281 1.030 0 50 CDAA Cc1ccnc(NC(=O)NCCCNC(=O)C2CCC2)c1 121576808 JHQOZMQEKAIGHN-UHFFFAOYSA-N 290.367 1.818 0 50 CDAA CN1C[C@@H](CNCc2ncc[nH]2)Cc2ccccc21 253432937 QBBPQWLMUVMZAY-GFCCVEGCSA-N 256.353 1.808 0 50 CDAA O=C1C[C@@H](CNc2ncccn2)CN1C1CCCC1 32577732 GLKVUOBXIFAXRY-NSHDSACASA-N 260.341 1.680 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)n(C)n1 328620285 GVUGMSUFCPPUKR-ZWNOBZJWSA-N 289.339 1.178 0 50 CDAA O=S(=O)(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)C1COC1 330216559 NGAPXXDJXFMWHA-ZLZRZKQWSA-N 271.382 1.129 0 50 CDAA CN(C)C(=O)CN1CCOc2c1ccc(F)c2F 335644417 NAXNJTJEMDKDRC-UHFFFAOYSA-N 256.252 1.252 0 50 CDAA CS[C@@H](C)CNC(=O)C[C@@H](C)C1CCNCC1 125432655 ZPGCZKZWHYQHIT-MNOVXSKESA-N 258.431 1.880 0 50 CDAA COCc1cc(C(=O)N2CCC3(CCOCC3)[C@@H]2C)no1 363824970 LJOJBBOVUYYDGG-NSHDSACASA-N 294.351 1.852 0 50 CDAA O=C(NCCc1ccco1)N[C@H]1CC[C@@H](CO)C1 454152276 INQGTTVJIMBBEK-MNOVXSKESA-N 252.314 1.282 0 50 CDAA CO[C@@H]1CC[C@@H](NC(=O)N2CCCC23CCN(C)CC3)C1 335862936 MZDJWSHZRVLBNJ-ZIAGYGMSSA-N 295.427 1.824 0 50 CDAA CCSCCC(=O)NCCSc1ncn[nH]1 219275839 ZXVWAVPXAZOPJA-UHFFFAOYSA-N 260.388 1.156 0 50 CDAA Cc1cc(-n2cnnc2[C@H](C)N2CCCC2)n(C)n1 71278820 FKAOPMQRWGIDQM-NSHDSACASA-N 260.345 1.466 0 50 CDAA C[C@]1(C(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)C[C@@H]1F 333347512 ZOYMDVHWXASLEH-GWCFXTLKSA-N 277.255 1.978 0 50 CDAA CN(CCc1ncon1)C(=O)CCOc1ccccc1 216512949 JXMMNMPZNONJQE-UHFFFAOYSA-N 275.308 1.540 0 50 CDAA Cn1cncc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281508264 BFEXYVMRFMIZNE-LSDHHAIUSA-N 275.327 1.867 0 50 CDAA CNCC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 237202536 LPMCPJYMYXZLQN-UHFFFAOYSA-N 275.396 1.329 0 50 CDAA C[C@H](C(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1cccs1 263339029 RNDANOCLFYEKLJ-XHNCKOQMSA-N 253.323 1.831 0 50 CDAA CCn1cncc1CNC(=O)c1cccc(CN(C)C)c1 426503745 XBIRYRLEHKQNEW-UHFFFAOYSA-N 286.379 1.895 0 50 CDAA C[C@@H]1CN(C)C[C@H](c2nc(C3CCOCC3)no2)O1 527543772 QLZTZDVUICHRJB-MWLCHTKSSA-N 267.329 1.355 0 50 CDAA N=c1[nH]c([C@H]2CCOC2)cc(=NCC2=CCCCC2)[nH]1 426589919 DNJWATFUIDCDHB-LBPRGKRZSA-N 274.368 1.727 0 50 CDAA O=C(N[C@H]1CCCOCC1)c1ccc2c(c1)OCO2 179944726 DMUSYTKFXTZAOO-NSHDSACASA-N 263.293 1.714 0 50 CDAA CCO[C@H](C)C(=O)NCCc1nc2c(s1)CCC2 426515505 JXIACGSRRMGDIW-SECBINFHSA-N 268.382 1.716 0 50 CDAA O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1c(F)cc(F)cc1F 178142135 FTWCOPJWAHXMGR-QMMMGPOBSA-N 298.264 1.597 0 50 CDAA Cc1[nH]c(=O)c(C(=O)N[C@@H]2CCSC2)c(C)c1Cl 97602296 ITOKATVEPSHOFO-MRVPVSSYSA-N 286.784 1.880 0 50 CDAA CCc1nnc(NC(=O)N2CC[C@H](n3cccn3)C2)s1 291461513 JKFIVSIZZGEVKL-VIFPVBQESA-N 292.368 1.776 0 50 CDAA c1cnn(CC2(Cn3cc(-c4ncc[nH]4)nn3)CC2)c1 91288587 ISTKBEJANATFHY-UHFFFAOYSA-N 269.312 1.345 0 50 CDAA Cc1nc([C@@H]2CCCCN2C(=O)C2CC2)n(CCO)n1 96149194 RCRCSWXZKFBOLI-LBPRGKRZSA-N 278.356 1.042 0 50 CDAA O=c1cc(N2CCCCC2)cnn1C[C@@H]1CCCO1 95359651 OVQBBSLTDXPIPY-ZDUSSCGKSA-N 263.341 1.413 0 50 CDAA NC(=O)c1ccc(-c2ccc(NC3CC3)nn2)cc1 97394288 NOOHDGDZLCEFOJ-UHFFFAOYSA-N 254.293 1.817 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccoc1 247424941 SGWSACQEQBEJCG-NNYUYHANSA-N 261.277 1.419 0 50 CDAA CC[C@H](CO)NC(=O)c1csc(-c2ccccn2)n1 180891245 TXYTYLCVIZXNEF-SECBINFHSA-N 277.349 1.706 0 50 CDAA COc1cnc(CN(Cc2nccn2C)C2CC2)cc1O 244894073 YZLSZRNFDBPBRK-UHFFFAOYSA-N 288.351 1.694 0 50 CDAA O=S1(=O)[C@@H]2[C@H]3C[C@@H]4[C@@H]2C2(SCCS2)[C@@H]2[C@H]4[C@@H]3[C@H]21 247360980 ZMQFNEUKWQFTQH-KKHGFISSSA-N 286.443 1.470 0 50 CDAA O=C1CC[C@H](C(=O)N[C@H]2C[C@H]2c2ccccc2F)N1 247850326 GPEKNSKAKMHDMX-WCQGTBRESA-N 262.284 1.076 0 50 CDAA COCCN1CC[C@@H](C(=O)N2CC(c3nccs3)C2)C1 243902100 BFZZHWTYUZAZBN-LLVKDONJSA-N 295.408 1.037 0 50 CDAA Cn1cc(CN2CC(C(=O)O)C2)c(-c2ccccc2)n1 244678458 IDKNVGCHCZUYLY-UHFFFAOYSA-N 271.320 1.604 0 50 CDAA CCCc1nnc(NC(=O)c2ccc(=N)[nH]c2)s1 621525866 CSBQOZLCBTVOBS-UHFFFAOYSA-N 263.326 1.550 0 50 CDAA C[C@H]1CN(C(=O)Cn2ccc3sccc3c2=O)CCO1 182935288 ZKPHWECUVRJGGK-JTQLQIEISA-N 292.360 1.310 0 50 CDAA C=CC(=O)NCCNC(=O)c1scnc1C1CCCC1 183576390 SFTXUQDXUALGQZ-UHFFFAOYSA-N 293.392 1.833 0 50 CDAA CN(Cc1ccc(OCC(=O)O)cc1)C[C@@H]1CCOC1 534638605 LSGVSAZOEJCEBQ-ZDUSSCGKSA-N 279.336 1.618 0 50 CDAA CC[C@@H](NC(=O)c1cccn1C)c1ncnn1CC 534578192 XXGVHMSSIWCAIU-SNVBAGLBSA-N 261.329 1.518 0 50 CDAA CCCn1nccc1C(=O)N[C@@H]1CCc2c[nH]nc2C1 612328685 OBKWVSCBIQYASO-LLVKDONJSA-N 273.340 1.304 0 50 CDAA Cc1ccc(C(=O)N2CCN(c3nonc3C)CC2)s1 299773030 CYCMRWUHVLZQLB-UHFFFAOYSA-N 292.364 1.710 0 50 CDAA Cc1cc(C)n([C@H](C)C(=O)N2CCc3nocc3C2)n1 670453429 NTOGEFYCQXADPK-LLVKDONJSA-N 274.324 1.634 0 50 CDAA C[C@@H](CN1CCCCC1)NCCc1nc(C2CC2)no1 670445431 ZOYMCLNGDGFNFZ-LBPRGKRZSA-N 278.400 1.954 0 50 CDAA CCOC(=O)c1nn2ccccc2c1C(=O)OCC 50888570 NAXXLPOSQSYXEK-UHFFFAOYSA-N 262.265 1.688 0 50 CDAA in-vitro CN(Cc1ncccn1)C(=O)[C@H](CO)c1ccc(F)cc1 1548766569 VNXVNUZPUGKCJH-CYBMUJFWSA-N 289.310 1.350 0 50 CDAA COc1ncccc1CNCCN=c1cc[nH]cc1C 952983956 YNKZEANDBIBMMO-UHFFFAOYSA-N 272.352 1.417 0 50 CDAA O=C(c1c(F)cc(F)cc1F)N1CCCNCC1 86995683 HFASKTXCQKORSS-UHFFFAOYSA-N 258.243 1.539 0 50 CDAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1ccoc1 1565511941 KAPFNHOETJMXKT-STQMWFEESA-N 288.303 1.641 0 50 CDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1N=c1cc[nH]c2ccccc12 1565525967 CPSMFHXNFPTWQK-IEAZIUSSSA-N 283.375 1.786 0 50 CDAA CCOc1cccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)O)c1 268921717 SYNZUGJTRGNVCA-XDTLVQLUSA-N 277.320 1.983 0 50 CDAA NC(=O)c1cc2cc(NC(=O)c3ncccc3O)ccc2[nH]1 1470967874 KUGZCYCGZLIUKQ-UHFFFAOYSA-N 296.286 1.620 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC[C@H](CO)O2)CC1 91303553 CDYKLWYIDSDHBS-LLVKDONJSA-N 271.357 1.927 0 50 CDAA in-vitro O=C(OCc1ccccc1)N1CCCO[C@H](CO)C1 95496034 GBFMGKGLICBMMI-ZDUSSCGKSA-N 265.309 1.406 0 50 CDAA in-vitro C[C@@H](Nc1ncnc2ccsc12)c1nnc(O)n1C 631336529 WFSCNWBWQMEUIB-ZCFIWIBFSA-N 276.325 1.699 0 50 CDAA CC(C)C[C@H](N)C(=O)N1CCN(c2ccncc2)CC1 170049171 YMWFODGUCHWCTR-AWEZNQCLSA-N 276.384 1.104 0 50 CDAA COc1cccc(CN2CCO[C@H](C(=O)C3CC3)C2)c1 170599810 DLCFLHASODFHAY-HNNXBMFYSA-N 275.348 1.875 0 50 CDAA COC[C@@H](C)NC(=O)NCCN1CCc2sccc2C1 170591779 VDSIKFAYXVQYSP-LLVKDONJSA-N 297.424 1.440 0 50 CDAA CC(C)(C(=O)Nc1ccc(O)cc1)N1CCOCC1 170618731 ARKXDDLNFVOBSR-UHFFFAOYSA-N 264.325 1.442 0 50 CDAA O=C(Nc1ccc2[nH]nnc2c1)C1CCN(C2CC2)CC1 170615791 JTHNIPMEEYYGLA-UHFFFAOYSA-N 285.351 1.771 0 50 CDAA COCc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)OC)c1 170757139 FBPKRWTXSUUYNB-OLZOCXBDSA-N 277.320 1.258 0 50 CDAA O=C(Cc1cncs1)N1CCO[C@H](c2nccs2)C1 187854571 JVHIQFLFVGBZKV-JTQLQIEISA-N 295.389 1.742 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(O)nc1 188720286 IOEZEAJQIUNNID-MFKMUULPSA-N 278.352 1.968 0 50 CDAA CN(C)C(=O)C[C@@]1(O)CCCN(c2ccncc2Cl)C1 643719124 SWKCWPUHXJYNKV-AWEZNQCLSA-N 297.786 1.545 0 50 CDAA C[C@](O)(CN1CCC(Cc2ccc(F)cc2)CC1)C(=O)O 580085428 SDKMWLZRQMRUOQ-INIZCTEOSA-N 295.354 1.916 0 50 CDAA N=c1nc(N2CCO[C@@H](C3CC3)C2)c2c([nH]1)CCCC2 645214328 BFTKKORSQLYPRR-CYBMUJFWSA-N 274.368 1.383 0 50 CDAA COC[C@H]1CN(c2nc(C)cc(OC)n2)CC(C)(C)O1 583616831 VKJBHAMDGGMNAR-LLVKDONJSA-N 281.356 1.424 0 50 CDAA CCOc1cncc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)n1 583622877 ABHGZPHPVCADLE-XQQFMLRXSA-N 293.367 1.242 0 50 CDAA CC(C)[C@H](O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 585119241 YSOXTQZGRRFVOT-IUODEOHRSA-N 294.326 1.610 0 50 CDAA CCNC(=O)CCN(C)Cc1ccc2nsnc2c1 244882762 XYNBDTSSHYHZPT-UHFFFAOYSA-N 278.381 1.649 0 50 CDAA CCOC(=O)c1[nH]cnc1CNc1cc(F)ncn1 1655893146 TVJZVYIQGKCSCA-UHFFFAOYSA-N 265.248 1.128 0 50 CDAA Cc1ncccc1Oc1ncnc(N2CCNC(=O)C2)c1C 1506427369 IRGBRUGJQRIUIR-UHFFFAOYSA-N 299.334 1.217 0 50 CDAA C[C@@H](Cn1cncn1)NC1CCN(Cc2ccco2)CC1 1506401676 NMWMEUNOJLHSLJ-ZDUSSCGKSA-N 289.383 1.514 0 50 CDAA CCCCc1ncc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)[nH]1 1800410761 ALYIGKMNEPRKTQ-DABQJJPHSA-N 263.385 1.955 0 50 CDAA C[C@@H](O)[C@@H]1CCN(Cc2ncnn2C(C)(C)C)C1 407982545 HUUWARSNELCHGV-GHMZBOCLSA-N 252.362 1.236 0 50 CDAA CCCc1cnc(C)nc1N[C@H]1COC[C@@H]1OCC 1704315615 MHTPSVRURKFMJS-STQMWFEESA-N 265.357 1.953 0 50 CDAA CC(=O)c1cnc(N(C)C[C@]2(C)CCN(C)C2)nc1C 1704306022 ZKRTWJLJCWENTF-OAHLLOKOSA-N 276.384 1.766 0 50 CDAA COCCN(C(=O)c1ccoc1Cl)[C@@H]1CCOC1 331011873 WEDHKPFIOAPCFF-SECBINFHSA-N 273.716 1.811 0 50 CDAA CCOC(=O)c1cc(CNC(=O)OC(C)(C)C)on1 8614788 XMBGWRAQFDOMCS-UHFFFAOYSA-N 270.285 1.876 0 50 CDAA in-vitro CC(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1nc[nH]n1 566122895 JCQXZCONFKZYQT-JQWIXIFHSA-N 266.345 1.214 0 50 CDAA CC(=O)N1CC[C@](C)(C(=O)N(C)Cc2ccoc2C)C1 363114338 QSFLUVIPRSRBTH-HNNXBMFYSA-N 278.352 1.805 0 50 CDAA COC[C@@H](C)NC(=O)CN1CCC[C@@H](C(F)(F)F)C1 229204140 HXIKYAZLECZOLL-NXEZZACHSA-N 282.306 1.412 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCC(C3(O)CC3)CC2)o1 1772819107 DVYOVCJZXUIYSM-UHFFFAOYSA-N 277.320 1.325 0 50 CDAA CC(C)Cc1nc(CN(C)C)n(-c2ccnn2C)n1 1772811716 XBXHNPZRXIUPJD-UHFFFAOYSA-N 262.361 1.261 0 50 CDAA O=C(/C=C/c1ccc2c(c1)OCO2)NCCCn1ccnc1 13424053 ABBKBCKVTNVBAT-HWKANZROSA-N 299.330 1.832 0 50 CDAA CC(C)N1CCC[C@@H](N[C@@]23C[C@@H]2COC32CCC2)C1=O 1857529806 FYDYLTVDHGCSNN-IOASZLSFSA-N 278.396 1.687 0 50 CDAA O=C(N[C@H](C[C@H]1CCOC1)C(=O)O)c1ccccc1 521396190 RGIDQJAVQZOCRJ-ZYHUDNBSSA-N 263.293 1.296 0 50 CDAA CN1CC[C@@H]2CN(C(=O)c3ccn(C(F)F)n3)C[C@@H]21 216216996 BQLZDVFIEXXKSY-SCZZXKLOSA-N 270.283 1.054 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 317844 MDFOXHGBFTXKQL-SSDOTTSWSA-N 284.109 1.887 0 50 CDAA in-vitro O=c1c2ccncc2ncn1Cc1nc(C2CCCC2)no1 126367671 GNRSBKOQBFLRAE-UHFFFAOYSA-N 297.318 1.880 0 50 CDAA CC(=O)N(C[C@H]1CCCN1C(=O)Cc1ccon1)C1CC1 333063472 SVYPWYJFUJVOJW-CQSZACIVSA-N 291.351 1.219 0 50 CDAA COc1ccccc1C[C@H](CNC(=O)C1CCC1)C(=O)O 237261253 YZWASTHUAIXCLT-CYBMUJFWSA-N 291.347 1.855 0 50 CDAA CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1nncs1 130001648 VDKBWUOVBPYOHB-SECBINFHSA-N 296.396 1.904 0 50 CDAA CC[C@H](C(=O)N[C@H]1C[C@](C)(OC)C1(C)C)N1CCCC1=O 248333376 JYHIMCTXOQUTEI-WQGACYEGSA-N 296.411 1.707 0 50 CDAA C[C@H](c1nnnn1C)N1CCO[C@@H](c2ccc(F)cc2)C1 249439269 SQPFFQBHJIVPSB-ZWNOBZJWSA-N 291.330 1.484 0 50 CDAA CN(C)c1ncccc1O[C@H]1CCN(c2ncccn2)C1 252510373 ZIUNCCKHLAQPRX-LBPRGKRZSA-N 285.351 1.595 0 50 CDAA CC(C)(C)n1cc(C(=O)N[C@H](CO)C2CCCC2)nn1 359615648 LUNNABSJRMMYPN-GFCCVEGCSA-N 280.372 1.314 0 50 CDAA C[C@@H](NCCn1cc(Br)cn1)c1cnc[nH]1 1875285240 HRAZUOFSLVDXIJ-MRVPVSSYSA-N 284.161 1.720 0 50 CDAA O=C(NC1CC1)NC1CCN(c2nc3ccccc3[nH]2)CC1 1875279360 VKSADVOWWYRIPH-UHFFFAOYSA-N 299.378 1.993 0 50 CDAA CN(C)C/C=C/C(=O)N[C@H](c1ccc[nH]1)C(F)(F)F 1875378746 JPNMRMNIWVNWAR-DUMNWFOQSA-N 275.274 1.852 0 50 CDAA Cc1cc(C(=O)NC2(c3nn[nH]n3)CC2)c2ncccc2c1 1875370035 YOKPJCGWYKZSFD-UHFFFAOYSA-N 294.318 1.475 0 50 CDAA O=C(Nc1cnc2c(c1)CCO2)c1cc(O)nc(C2CC2)n1 1875302608 YJZLRYWSYNSHRP-UHFFFAOYSA-N 298.302 1.642 0 50 CDAA NCc1cc(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n[nH]1 1875315478 WMGONTIFECDVGI-NFAWXSAZSA-N 282.347 1.184 0 50 CDAA COC(=O)/C=C/CNC(=O)c1[nH]c(C)c(C(C)=O)c1C 1875333129 CIDAXHMRJDFFRI-AATRIKPKSA-N 278.308 1.293 0 50 CDAA C[C@@H]1CCCCN1C(=O)Cn1c(C(C)(C)C)noc1=O 1875391384 XXQZFPWTCIPGSX-SNVBAGLBSA-N 281.356 1.535 0 50 CDAA CN(C)c1ccc([C@H]2CCCN2C(=O)Cc2ccc[nH]2)nn1 886082165 HBLLSKRHIFLMCB-CQSZACIVSA-N 299.378 1.777 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N2CCCCC2)c1 891464302 XQWSNJIYABRRJW-UHFFFAOYSA-N 258.325 1.752 0 50 CDAA Fc1ccc2nc(NCc3nnc4n3CCOC4)oc2c1 893461262 MAXAXKDGAHGGTI-UHFFFAOYSA-N 289.270 1.701 0 50 CDAA CC(C)(C)OC(=O)c1cc(C(=O)N2CC[C@H]3C[C@H]3C2)[nH]n1 1773644917 DPCYXZVLUGCNPV-UWVGGRQHSA-N 291.351 1.847 0 50 CDAA CCc1nc(N)cc(N2CCc3nnc(N(C)C)cc3C2)n1 1775959206 NCZPEMLHMUBQQW-UHFFFAOYSA-N 299.382 1.040 0 50 CDAA Cc1cccc2cnn([C@H]3CCCS(=O)(=O)C3)c(=O)c12 899356982 YNXCBNIQWUQEOF-LBPRGKRZSA-N 292.360 1.455 0 50 CDAA C[C@H](C(=O)O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 237430580 NKKBWZGYEUOBHQ-DGCLKSJQSA-N 276.336 1.587 0 50 CDAA O=C(O)C1(O)CCN(c2ncc(Cl)cc2Cl)CC1 71661491 WHYPMJWCODXSMD-UHFFFAOYSA-N 291.134 1.804 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@@H]1CCCCO1)CC1CC1 405442301 VVXGVOUZTJWQBE-QWRGUYRKSA-N 255.314 1.173 0 50 CDAA CCc1cnc(N2CCN(CCC3OCCO3)CC2)s1 408514106 UISBXUHFPPJLCL-UHFFFAOYSA-N 297.424 1.591 0 50 CDAA Cc1cc(CN(C)C[C@H]2CCc3nccn3C2)no1 328624239 CHVJYAQERTXLAV-GFCCVEGCSA-N 260.341 1.874 0 50 CDAA O=C(O)Cc1ccc(CNC(=O)C2CC=CC2)cc1 630234060 KPCXKAUBBZFBCO-UHFFFAOYSA-N 259.305 1.896 0 50 CDAA Cn1nnc(CN2CC[C@@H](C(F)(F)F)C2(C)C)n1 336785435 DLJBJMVPNQBRDD-SSDOTTSWSA-N 263.267 1.373 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2cncc(O)c2)C1 584896084 SGXSDANIDNBUMY-LLVKDONJSA-N 264.325 1.676 0 50 CDAA NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 2812683 FICCCFIWOMYPNP-UHFFFAOYSA-N 270.210 1.872 0 50 CDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(F)cc1 20028875 VRKCCHLVONZTIO-UHFFFAOYSA-N 291.278 1.626 0 50 CDAA CC(C)(C(=O)NCCC[C@H](N)C(=O)O)c1ccc(F)cc1 2325759934 LTTLVFPQBXTTLX-LBPRGKRZSA-N 296.342 1.412 0 50 CDAA NCC1CC(C(=O)Nc2cccc3c(O)nccc23)C1 2325795878 CGNIMUCPPWGJDC-UHFFFAOYSA-N 271.320 1.864 0 50 CDAA CC[C@@H](NC(=O)c1cnn(CCF)c1)C(C)(C)C(=O)O 2325813550 ZYEAUEXHVRWAJS-SNVBAGLBSA-N 285.319 1.472 0 50 CDAA c1cc2c(cc1-c1noc(C3CCNCC3)n1)OCO2 154386 WJLRNCOTWSCIOZ-UHFFFAOYSA-N 273.292 1.932 0 50 CDAA C[C@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@H](C)O1 319280 MGBMWLCECWIBOG-UWVGGRQHSA-N 280.349 1.245 0 50 CDAA COC(=O)Cc1cc(OC)c(OC)cc1C(C)=O 4023231 GJRQPRICGHKGAS-UHFFFAOYSA-N 252.266 1.622 0 50 CDAA biogenic CC(=O)N(c1ccc(C)cc1C)[C@@H]1C=CS(=O)(=O)C1 4387486 OEYWTVWGYKZXNF-CYBMUJFWSA-N 279.361 1.967 0 50 CDAA COc1ccccc1-c1nnc(SCC(=O)O)[nH]1 6492346 RLNFPEOJAMKEBH-UHFFFAOYSA-N 265.294 1.657 0 50 CDAA CCOC(=O)CCCCSc1ncnc2[nH]c(=O)[nH]c12 6758136 MAPZCXQMLVFKQG-UHFFFAOYSA-N 296.352 1.472 0 50 CDAA CCc1ncc(CN2CCO[C@H](COCC3CC3)C2)cn1 414440598 YQAYXKOZPSCXKN-HNNXBMFYSA-N 291.395 1.666 0 50 CDAA O=C(NC[C@@H]1CCCO1)Nc1nnc(C(F)(F)F)s1 23478428 CXWWCLFVKWJSEC-YFKPBYRVSA-N 296.274 1.857 0 50 CDAA NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc21 113147084 KBPCLFLFPVERJC-NEPJUHHUSA-N 274.320 1.029 0 50 CDAA CC(C)O[C@H]1C[C@@H](NC(=O)Nc2ccc(C(N)=O)nc2)C1 459463920 WCSHRLZRVLPREO-PHIMTYICSA-N 292.339 1.258 0 50 CDAA O=C(O)/C=C\C(=O)NCC1(c2ccccc2)CCOCC1 100871948 CHASDOOQJXSCFY-SREVYHEPSA-N 289.331 1.492 0 50 CDAA O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(O)(CO)CC1 67821910 YQKAXALQKSUCKF-UHFFFAOYSA-N 292.310 1.266 0 50 CDAA Cc1cc(C)c([C@@H](C)NCCN2C(=O)CNC2=O)cc1C 134110883 GDMZUXFAZVHJOB-CYBMUJFWSA-N 289.379 1.814 0 50 CDAA CCNC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235080 CRQAUYXHDRLHEB-UHFFFAOYSA-N 256.305 1.697 0 50 CDAA O=C1CCN(C(=O)NCCOC2CCCCCC2)CCN1 118586577 GKZHOTTXSNLKSA-UHFFFAOYSA-N 297.399 1.257 0 50 CDAA C[C@@H](CCn1cccn1)Nc1ccc(-c2nccn2C)nn1 67739693 FCESPNDUSSCHAQ-LBPRGKRZSA-N 297.366 1.964 0 50 CDAA O=C(O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 1425909 ORQVNLNFZQDZAC-UHFFFAOYSA-N 272.186 1.444 0 50 CDAA O=S(=O)(N[C@H]1CCO[C@@H]1C1CC1)c1ccsc1 329082087 SDJIPCXBVULPSW-WDEREUQCSA-N 273.379 1.594 0 50 CDAA CN(Cc1ccc(C(=O)O)cc1)Cc1cn(C)nn1 234285886 XNLREVDDVSWISK-UHFFFAOYSA-N 260.297 1.145 0 50 CDAA CS(=O)(=O)N1CCC[C@@H](C(=O)CCc2ccccc2)C1 72171373 BTZJSENAYSGSSO-CQSZACIVSA-N 295.404 1.860 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](c3ccncn3)C2)cc(=O)[nH]1 216003225 ZGHOOVFHQHKSBZ-LBPRGKRZSA-N 298.346 1.493 0 50 CDAA COC(=O)[C@@H](O)CNC(=O)CC1CC(c2ccccc2)C1 253395789 RJAJWDZYQWCTGV-UBHUBRDASA-N 291.347 1.220 0 50 CDAA O=C(O)c1ccc2[nH]c(=O)n(CC(F)(F)F)c2c1 211878207 FSJPHZNUPMTSNX-UHFFFAOYSA-N 260.171 1.590 0 50 CDAA CCCCNC(=O)CS(=O)(=O)c1ccccc1 39615462 YPCQKLFACTWYIV-UHFFFAOYSA-N 255.339 1.377 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 74176828 VTPRYUOZLSMSIX-GFCCVEGCSA-N 265.357 1.848 0 50 CDAA CC[C@@H](NC(=O)c1c[nH]nc1-c1cnn(C)c1)C(F)F 452266884 TZGXWCDGCNVLQU-SECBINFHSA-N 283.282 1.584 0 50 CDAA Cc1c[nH]nc1CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 367943599 OPEGOZOJEDGWQP-INIZCTEOSA-N 282.347 1.814 0 50 CDAA CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC12CCCC2 336275022 SQDRLORTVHWCOW-MNOVXSKESA-N 268.382 1.357 0 50 CDAA O=C([C@@H]1CCCN1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 261753423 QJIYAIKCOWJNRW-PMPSAXMXSA-N 288.391 1.853 0 50 CDAA CC(=O)[C@H]1[C@@H](c2cccnc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 34798093 ZJZDWFLRWJXMLK-UGUYLWEFSA-N 289.331 1.299 0 50 CDAA biogenic Cc1ccc(CN2CCC[C@@H]2C(N)=O)c(-c2cnn(C)c2)c1 375004043 XDWOYIYHNTVJCW-MRXNPFEDSA-N 298.390 1.845 0 50 CDAA O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccncc1 74998245 IHKYWRBHBQZGHI-UHFFFAOYSA-N 268.276 1.181 0 50 CDAA CCc1nc(C)c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)o1 71575768 BLIFXPYUMSJSPJ-IWDIQUIJSA-N 276.336 1.795 0 50 CDAA O=C(NC1C[C@@H]2C[C@H]2C1)N1CC[C@H](n2cccn2)C1 333315533 AALMXQRLJGCIGU-GVXVVHGQSA-N 260.341 1.638 0 50 CDAA CC1(C)CN(C(=O)C2=CCOCC2)C[C@]2(CCOC2)O1 373705490 LGJYTSNTDCBXDN-HNNXBMFYSA-N 281.352 1.130 0 50 CDAA O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCOC1 262380131 IGEYAZCBYMSCKK-NSHDSACASA-N 297.738 1.790 0 50 CDAA C[C@H]1C(=O)N(C)CCN1Cc1cc2cccnc2o1 449258047 LFUZZIXNACBUHB-JTQLQIEISA-N 259.309 1.490 0 50 CDAA O=S(=O)(c1ccoc1)N1CCC[C@@]2(CCOC2)C1 334652910 GOVYDMCWXKVEEY-GFCCVEGCSA-N 271.338 1.471 0 50 CDAA COc1ccccc1OCCCN1CCN[C@H](C)C1 40456403 UYAJBGAPEWLSDM-CYBMUJFWSA-N 264.369 1.758 0 50 CDAA O=C(CCc1cscn1)N1CCC[C@H]2CNC[C@H]21 335511253 MILUGENNWWZMLY-CMPLNLGQSA-N 265.382 1.286 0 50 CDAA CC[C@H](N)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 159288180 SMXYQUFXRLNLPV-LSDHHAIUSA-N 294.370 1.835 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)Cc1ccncc1 223467238 BTKPBUUPFCJIAV-SNVBAGLBSA-N 259.313 1.113 0 50 CDAA Cc1cc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)sn1 606445665 ZQBDKZLCASZFMF-GFCCVEGCSA-N 293.396 1.632 0 50 CDAA O=C(NCCCc1cccnc1)[C@H]1CCC[C@@H](O)C1 220530005 ICQRPQFWGFUXNJ-UONOGXRCSA-N 262.353 1.682 0 50 CDAA Nc1cccc(C(=O)N2CCC[C@@H](CN3CCCC3)C2)n1 223334441 WDTHFYKAHQHYDQ-ZDUSSCGKSA-N 288.395 1.612 0 50 CDAA COc1ccc([C@H]2CCN(C(=O)[C@@H](C)C(=O)O)C2)cc1 263559762 QOLLFQSEOPQFLG-PWSUYJOCSA-N 277.320 1.732 0 50 CDAA Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(O)c12 45364534 WTGPVPWURYYDMO-UHFFFAOYSA-N 290.319 1.264 0 50 CDAA Cc1nc(CC(=O)N[C@H](C)c2ccc(F)c(C)c2)n[nH]1 612066523 PNUJHPNVDKFRPD-SECBINFHSA-N 276.315 1.981 0 50 CDAA C[C@@H](c1ccncn1)N(C)C(=O)Cc1cccnc1 223169999 OGOZBZQXQTUUFQ-NSHDSACASA-N 256.309 1.634 0 50 CDAA CN(CCc1ncon1)C(=O)C1Cc2ccccc2C1 426627600 BCEKEKJIMXNNKV-UHFFFAOYSA-N 271.320 1.486 0 50 CDAA COc1ccc2c(c1)OC[C@@H](CNC(=O)CSC)C2 91585986 IIKHXTVXROKDJK-SNVBAGLBSA-N 281.377 1.726 0 50 CDAA CCOCC(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 178040975 SDHOODFILWSHDU-RLFDGXBXSA-N 261.387 1.219 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccc(-n2cncn2)c(C)c1 237267555 FKURVNCHZKPPDD-CQSZACIVSA-N 299.378 1.400 0 50 CDAA CN1CCCCC[C@H]1C(=O)NCCCOc1cccnc1 91871448 KFQOOGSVUHDRQW-HNNXBMFYSA-N 291.395 1.841 0 50 CDAA CCc1nccn1CCNC(=O)Nc1cncc(C)c1 97743222 SVJTZRQZMBUKAD-UHFFFAOYSA-N 273.340 1.971 0 50 CDAA C[C@@]1(C(=O)O)[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nccs1 239331259 KJNJCJKVBDUBST-DWURIKNASA-N 278.333 1.995 0 50 CDAA COc1cccc([C@@H]2CCN2C(=O)Cn2cccnc2=O)c1 97743613 LLSYNIDGARDHNG-AWEZNQCLSA-N 299.330 1.226 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCOc3ccccc32)cn1 237982084 LPTAELURJPIZSV-UHFFFAOYSA-N 284.271 1.819 0 50 CDAA CCSCC(=O)NC[C@@H](C)Oc1cccnc1 244724288 MRFFTWRBNCXDBQ-SNVBAGLBSA-N 254.355 1.718 0 50 CDAA O[C@H]1C[C@@H](c2cc(NCCc3cnccn3)ncn2)C1 244659713 HHRUOLYGZIDKBB-KLPPZKSPSA-N 271.324 1.160 0 50 CDAA CC(C)Cn1cnc2ccc(NC3=CC(=O)NC3)cc2c1=O 524733526 RJEAVBXZNNHOFV-UHFFFAOYSA-N 298.346 1.478 0 50 CDAA Cn1cnnc1CN1CCOc2c(Cl)cccc21 534842522 BLRIAECAJJOPOT-UHFFFAOYSA-N 264.716 1.868 0 50 CDAA CC[C@H](NC(=O)c1cncn1C)c1nccs1 348740133 MHSXLJHPDRZZDO-QMMMGPOBSA-N 250.327 1.758 0 50 CDAA CCCc1nc(C)cc(C[C@H]2CC(=O)N(CCOC)C2)n1 244866553 VYERSENHTDKXCQ-ZDUSSCGKSA-N 291.395 1.775 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1Cc1cccnc1 245231735 JRTYRFRRPOYYQT-PKCACUDHSA-N 280.327 1.635 0 50 CDAA O=c1ccc(Br)nn1C1CCOCC1 255190162 VJANGPSLVCQWBZ-UHFFFAOYSA-N 259.103 1.357 0 50 CDAA CC[C@H](C(=O)NC1CCCC1)N(C)CCn1ccnc1C 252480291 BZLOAXZVZZBZLD-OAHLLOKOSA-N 292.427 1.961 0 50 CDAA COc1cc(N2CCN(C[C@H]3CCCCO3)CC2)ncn1 184068966 PNKDGGINZRGMNM-CYBMUJFWSA-N 292.383 1.176 0 50 CDAA CN1C[C@@H](C(=O)NCc2ccoc2)[C@H](C(F)(F)F)C1 299741460 DZNBQGOIXUCFNQ-NXEZZACHSA-N 276.258 1.636 0 50 CDAA O=C(O)CCN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)C1CCOCC1 299746229 VXEUHPJESZTJCC-IMRBUKKESA-N 281.352 1.515 0 50 CDAA Cc1noc(C)c1CC(=O)NCc1nc(CC(C)C)no1 534649899 GPHZFJQMCSDPQF-UHFFFAOYSA-N 292.339 1.732 0 50 CDAA CCN(CC)CC1(NC(=O)[C@H]2CC[C@@H](O)CC2)CC1 534663962 DYOQFPMKPPOZOA-BETUJISGSA-N 268.401 1.528 0 50 CDAA C[C@@H](NS(=O)(=O)C1CC1)c1nc2ccccc2n1C 534584676 GBYBQFJGLPYAJJ-SECBINFHSA-N 279.365 1.716 0 50 CDAA CN1C(=O)COc2cc(B3OC(C)(C)C(C)(C)O3)ccc21 382674668 LFTAECCFDGZPPN-UHFFFAOYSA-N 289.140 1.341 0 50 CDAA CO[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)O)c2)C1 299765204 KHSSNVNYDQOWHX-GFCCVEGCSA-N 278.308 1.044 0 50 CDAA Cc1ccc([C@H](C)NS(=O)(=O)N2CCCC2)cn1 825191301 PBNLWGNRAYEBRV-NSHDSACASA-N 269.370 1.381 0 50 CDAA O[C@@H]1CON(Cc2cnn(-c3ccccc3F)c2)C1 828644036 WVVRBCWIGNKQQP-NSHDSACASA-N 263.272 1.120 0 50 CDAA Cc1cccc(NC(=O)CCNC(=O)C2CCOCC2)c1 828066206 LBYHFRSNWKPTRB-UHFFFAOYSA-N 290.363 1.866 0 50 CDAA COCC[C@@H]1CN(C(=O)CCc2n[nH]c(C)c2C)CCO1 584896821 INSIJVVEQJLDEK-CYBMUJFWSA-N 295.383 1.223 0 50 CDAA CCn1nc(C)c([C@H](C)NC(=O)Cn2cccn2)c1C 584890834 PVNBUDKTZOPFTR-JTQLQIEISA-N 275.356 1.594 0 50 CDAA CN(CCc1nccn1C)Cc1noc(C2CCC2)n1 670455435 JXIQAUCAZRXNQG-UHFFFAOYSA-N 275.356 1.745 0 50 CDAA Cc1[nH]nc2c1CN(C1CSCCSC1)CC2 670461391 AQWUOFDDHNCHAY-UHFFFAOYSA-N 269.439 1.925 0 50 CDAA CNC(=O)C[C@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 670456093 DUDPDFLRPZBZCC-GFCCVEGCSA-N 297.358 1.833 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2nc(C(F)(F)F)no2)C1 670457964 LMPTWGASQYWQHX-SSDOTTSWSA-N 292.261 1.046 0 50 CDAA Cn1ncc2c1CCCN(C(=O)c1cn3cccnc3n1)C2 1335951990 NZOXFDZSOAKONV-UHFFFAOYSA-N 296.334 1.051 0 50 CDAA Cc1nc(CNc2cncc(C(=O)N(C)C)n2)cs1 952872235 LAMJLGDSBRKAIA-UHFFFAOYSA-N 277.353 1.555 0 50 CDAA O=C(NCc1cccnc1O)c1nnc(O)c2ccccc12 1454496949 NKRWEOFZQZVJEM-UHFFFAOYSA-N 296.286 1.366 0 50 CDAA Cc1cccc([C@H](CNC(=O)c2nccn2C)N(C)C)c1 952989638 XUUKYWRIAGNGRO-AWEZNQCLSA-N 286.379 1.761 0 50 CDAA C[C@H]1CN(CCCCNc2ncc(F)cn2)C[C@@H](C)O1 269529604 YDTPLFGLKSZJHI-TXEJJXNPSA-N 282.363 1.917 0 50 CDAA O=C(C1CCC1)N1CCC(N2C[C@H]3CCN[C@H]3C2)CC1 1565527962 GOVQYXJMHRANEC-HIFRSBDPSA-N 277.412 1.071 0 50 CDAA CCC[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)C[C@@H]1C(=O)O 1565516190 JVHFPJQPZFGISN-QWRGUYRKSA-N 291.351 1.860 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2COCCN2)C1 269222202 OKQAILGFMDASML-IIAWOOMASA-N 288.391 1.688 0 50 CDAA O=C(Nc1ccc(Cl)cn1)N[C@@]1(CO)CCOC1 185577176 YNWTTZDHLUYLGF-LLVKDONJSA-N 271.704 1.008 0 50 CDAA COc1ccc(CN2CC[C@H]2C(=O)N=c2cc[nH]cc2)cc1 665462030 CUSXFRXNGWGIRO-INIZCTEOSA-N 297.358 1.725 0 50 CDAA O=C(NCc1nnc(S)n1C1CC1)C1[C@H]2CCCC[C@H]12 170647586 LGTFZEOIGFTIBO-UWVGGRQHSA-N 292.408 1.954 0 50 CDAA CC(C)(C)n1cc(CN2CCCSCC2)nn1 170611890 JQKFPORATPANMB-UHFFFAOYSA-N 254.403 1.972 0 50 CDAA Cc1ccnc([C@H](C)NC(=O)c2cc(C)n(C)n2)n1 636041859 FVJDSUKXCFVEHL-JTQLQIEISA-N 259.313 1.318 0 50 CDAA Cc1cnn(CC(=O)N2CC[C@H](C(=O)O)c3ccccc32)c1 669435240 ZEIOQZWPDDGXNC-ZDUSSCGKSA-N 299.330 1.797 0 50 CDAA COCCNc1ccccc1NC(=O)c1cc[nH]n1 191238363 HTJFNIPIISWASD-UHFFFAOYSA-N 260.297 1.720 0 50 CDAA CC[C@@H](C(=O)O)N1CCn2c(nnc2-c2ccccc2)C1 191438375 MEQFLDWRSSPNFW-LBPRGKRZSA-N 286.335 1.624 0 50 CDAA COc1cc(CNC(=O)Nc2cccc(C)n2)on1 583651703 QPNIYOODDHQLKJ-UHFFFAOYSA-N 262.269 1.708 0 50 CDAA CCOCn1nc(C)c(CC(=O)NC[C@@H]2CCCO2)c1C 585089353 GVYBMRRSBVINFS-ZDUSSCGKSA-N 295.383 1.332 0 50 CDAA CCOC(=O)C[C@H](NC(=O)c1ccn(C)n1)C(F)(F)F 585113604 OPKAHITZVXFPJT-QMMMGPOBSA-N 293.245 1.034 0 50 CDAA NC[C@@H](CC1CCCC1)C(=O)N1Cc2c[nH]nc2C1 1875271932 BPEXPRAJYJKYSZ-LLVKDONJSA-N 262.357 1.407 0 50 CDAA CC[C@@H](C(=O)Nc1nnc2nc(C)ccn12)n1cccn1 1506418874 UJYQBJWMFAGYRM-JTQLQIEISA-N 285.311 1.219 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)c1nsnc1C)CC2 1857689332 AXQFFFYLPSBYLH-UHFFFAOYSA-N 263.326 1.077 0 50 CDAA Cc1cc2c(C)nc(NC(=O)[C@@H]3CCOC3)nc2o1 1857720647 DAZUISLCJUXUQG-SECBINFHSA-N 261.281 1.815 0 50 CDAA CC(C)n1cc(NC(=O)[C@@H](C)N2CCCC2)cn1 1529154103 XYABWMGWDQWEMU-LLVKDONJSA-N 250.346 1.887 0 50 CDAA CC(=O)N[C@H]1CN(c2cccc(C#N)n2)C[C@@H]1C(C)C 219942256 FLJUTDQHPOKAND-KGLIPLIRSA-N 272.352 1.550 0 50 CDAA CCS(=O)(=O)Cc1noc([C@@H]2CCC[C@@H]2C)n1 408223929 FTUSWUXXYZAMRH-DTWKUNHWSA-N 258.343 1.908 0 50 CDAA Cc1cnc(CNC(=O)CC2(O)CCCCC2)o1 330490479 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C[C@@H]1C[C@@H](C(=O)N(CCC(=O)O)C[C@H]2CCCO2)CCO1 570578848 ZVIXPZOQXIGRJT-FRRDWIJNSA-N 299.367 1.284 0 50 CDAA CO[C@@H]1CN[C@H](C(=O)N(C)Cc2cc3ccccc3o2)C1 583617848 ZFTBXALUKLGYFC-JSGCOSHPSA-N 288.347 1.768 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@H]1COC(=O)C1 585140699 IAECIGIAHLVZSO-GFCCVEGCSA-N 292.335 1.440 0 50 CDAA CC1(C(=O)O)CN(C(=O)c2nccc3ccccc23)C1 399180224 RTIROHBVZUJVPW-UHFFFAOYSA-N 270.288 1.782 0 50 CDAA Nc1ncc2c(n1)[C@@]1(CCCN(c3ccccn3)C1)CC2 1704325442 LQXOXAOHDYBVPK-INIZCTEOSA-N 281.363 1.938 0 50 CDAA O=C(N[C@@H]1CC[C@H]1O)c1noc2c1CCc1ccccc1-2 823265337 JEQJZFGYZZGCSN-CHWSQXEVSA-N 284.315 1.693 0 50 CDAA O=C(Cc1cccc(C(F)(F)F)n1)N1CCn2nccc21 935882317 JMMUULVSVMURKZ-UHFFFAOYSA-N 296.252 1.886 0 50 CDAA Cc1cc(C)n2ncc(-c3noc([C@@H](O)C4CC4)n3)c2n1 952883862 YMRLJDWVSZOQLE-NSHDSACASA-N 285.307 1.840 0 50 CDAA C[C@H](CC(=O)O)CC(=O)N1CC2(CCC2)[C@@](F)(CO)C1 1875291669 HZUFRIYGSMRSGF-HZMBPMFUSA-N 287.331 1.200 0 50 CDAA C=CC(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 1875367366 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CN(Cc1cc[nH]n1)S(=O)(=O)N(C)C1CCCCC1 400046795 QYZBWPYNKBHJBP-UHFFFAOYSA-N 286.401 1.351 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)Nc1ccc(F)cc1F 1428591 VWMSQEFLJLXVOB-UHFFFAOYSA-N 287.291 1.808 0 50 CDAA O=C(CCn1ccccc1=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100543334 PVVQEAHVWNIYRB-ZSOGYDGISA-N 290.363 1.000 0 50 CDAA C[C@@H]1CCN(C[C@H](O)COC[C@H]2CCCO2)C[C@H](C)C1 305208592 DPMGURSSNBNWOV-LVQVYYBASA-N 285.428 1.911 0 50 CDAA C[C@@H](O)[C@@H]1CCN(C2=NCCN2Cc2ccccc2)C1 2325841860 IBGVAPODXZBQBK-UKRRQHHQSA-N 273.380 1.561 0 50 CDAA C[C@@H](N[C@H]1CCN(C)C1=O)c1cnn(Cc2ccccc2)c1 119094519 IGNJEJUVABHHHP-CJNGLKHVSA-N 298.390 1.813 0 50 CDAA CN(C)c1ccc(-c2cncc(C(=O)NCCCO)c2)cc1 121771219 GURGSNJPIXOAKZ-UHFFFAOYSA-N 299.374 1.927 0 50 CDAA Cc1cc(=O)oc2c(C)c(OCC(=O)N(C)C)ccc12 616590 QLDPXYLDLCRQSH-UHFFFAOYSA-N 275.304 1.877 0 50 CDAA CCN1CCO[C@H](CC(=O)Nc2cccc(F)c2)C1=O 1067995 WHAMPQODUPUREH-GFCCVEGCSA-N 280.299 1.402 0 50 CDAA COc1ccc(NC(=O)C[C@H]2SC(=O)NC2=O)cc1 1239556 FGZVZXHVLOQRLE-SECBINFHSA-N 280.305 1.375 0 50 CDAA C[C@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl 2322631 VUJSUPCIAREFMG-LURJTMIESA-N 291.134 1.429 0 50 CDAA COc1cnc(C)cc1C(=O)N[C@H]1CC[C@H](C(=O)O)CC1 2356148834 VOUNTDOHBLEOLN-XYPYZODXSA-N 292.335 1.772 0 50 CDAA O=C(NCCO)c1ccccc1I 2827776 JSZMMGCAWNBFAS-UHFFFAOYSA-N 291.088 1.013 0 50 CDAA COc1ccccc1NC(=O)C(=O)NCCCOC(C)C 2994012 AUZCZEGFWSDGKN-UHFFFAOYSA-N 294.351 1.565 0 50 CDAA C[C@H]1CN(c2nc3ccccn3c(=O)c2C=O)C[C@H](C)O1 2995537 AKQKJDUVFYNXTA-QWRGUYRKSA-N 287.319 1.121 0 50 CDAA CCOc1ccc(Br)cc1CNc1nn[nH]n1 4657528 HMLIXBYHWYHCEH-UHFFFAOYSA-N 298.144 1.973 0 50 CDAA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc(F)c1 4809667 PFLLSEMCRCAECK-NSHDSACASA-N 289.270 1.274 0 50 CDAA Cc1ccccc1[C@H]1CC(=O)Nc2nc(N)[nH]c(=O)c21 4944773 KIJBCIDRLJLLNR-SECBINFHSA-N 270.292 1.135 0 50 CDAA COc1ccc(CN[C@@H]2CCC[C@@H]2O)c(OC)c1 109554300 FRYKMYDSYUUBRI-OLZOCXBDSA-N 251.326 1.707 0 50 CDAA C[C@@H]1CCCN(CCC(=O)N(C)CCN(C)C)C1 20857481 FDTRYRXEKBPODT-CYBMUJFWSA-N 255.406 1.128 0 50 CDAA 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CCOC(=O)c1c[nH]c2cc(N(C)C)ccc2c1=O 71771540 VWUQBGOTJGVUDX-UHFFFAOYSA-N 260.293 1.771 0 50 CDAA O=C(CCc1cnc[nH]1)N1CC2(CCOCC2)[C@@H]1C1CC1 329331782 ZRXWVSRXKFQEEK-HNNXBMFYSA-N 289.379 1.760 0 50 CDAA Cc1cc(CNS(=O)(=O)CC23CCC(CC2)C3)n(C)n1 329646533 IXVFMUQNDIRTRD-UHFFFAOYSA-N 297.424 1.728 0 50 CDAA C[C@@H](CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)O 237312655 RVIFFNAPURIOKF-VIFPVBQESA-N 293.367 1.966 0 50 CDAA C[C@H]1CN2CCC[C@H]2CN1C(=O)c1c[nH]c2cccnc12 329877441 JIBRPXTVFRCNCC-RYUDHWBXSA-N 284.363 1.872 0 50 CDAA C[C@H](C(=O)O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 237458110 YNSJKAJDXWSIEG-SNVBAGLBSA-N 289.335 1.440 0 50 CDAA Cc1cc(C(=O)NC(C)(CO)CO)ccc1Cl 128714241 YZOKTBBWJIOKIC-UHFFFAOYSA-N 257.717 1.122 0 50 CDAA C[C@H]1CCCN1CC(=O)N[C@@H](C(=O)O)c1ccccc1 237576417 CPKRNVWURZJZLO-SMDDNHRTSA-N 276.336 1.413 0 50 CDAA C[C@H]1CN(C2CCN(Cc3ncc[nH]3)CC2)C[C@@H](C)O1 72433298 YTYIYRLRHOAXMC-BETUJISGSA-N 278.400 1.483 0 50 CDAA COC1CCC(NC(=O)NC[C@H]2CCCO2)CC1 334081230 KWTLVOVRRBHSCF-HTAVTVPLSA-N 256.346 1.422 0 50 CDAA Cc1nn(C(C)(C)C)c(=O)n1CCC1(O)CCC1 334050770 RRROGIMYXCNGMT-UHFFFAOYSA-N 253.346 1.413 0 50 CDAA CCc1nccn1CC(=O)N1CCC[C@@H](c2ccncn2)C1 218951621 FCYDYYULCHSUFE-CYBMUJFWSA-N 299.378 1.642 0 50 CDAA Cc1csc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)C2CC2)n1 262386803 JNUWRMLLQHWNDJ-IVZWLZJFSA-N 280.349 1.740 0 50 CDAA Cc1csc(CN2CCC[C@H](S(C)(=O)=O)CC2)n1 331653871 PEIVBIPRGVNXSY-NSHDSACASA-N 288.438 1.851 0 50 CDAA O=C(NC1(CO)CC1)[C@H]1C[C@]12CCOc1ccccc12 332780808 GNJLTKNRIBUTIY-WBMJQRKESA-N 273.332 1.368 0 50 CDAA CC(C)(C)c1ncsc1C(=O)N1CC[C@@H](C(=O)O)C1 236768472 GYDUGUVSBJGOHE-MRVPVSSYSA-N 282.365 1.987 0 50 CDAA Cc1nocc1C(=O)NCc1cccc(C(=O)NC2CC2)c1 521396258 DDTQHWYYMMIFKU-UHFFFAOYSA-N 299.330 1.805 0 50 CDAA CN(C)c1ccnc(C(=O)N2CC[C@](C)(C(=O)O)C2)c1 263445308 QRCPQXGBEJCASX-AWEZNQCLSA-N 277.324 1.084 0 50 CDAA Cc1cccc(Cl)c1NC(=O)N[C@@H]1CNC[C@H]1O 426386894 LYSVBJPHSLHUEY-NXEZZACHSA-N 269.732 1.103 0 50 CDAA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1ccc(Cl)s1 223644571 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O=C(c1ccon1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 247094994 VXPVMHSIJBENLI-OBJOEFQTSA-N 275.352 1.621 0 50 CDAA CN(CC1(C)COC1)C(=O)Nc1cnn(C)c1C(F)F 626462109 IKFLLPCIAGVDKM-UHFFFAOYSA-N 288.298 1.858 0 50 CDAA CN(C)c1noc(CN2CCC=C(c3cccnc3)C2)n1 296100741 XEFIIRMEAAHPPU-UHFFFAOYSA-N 285.351 1.820 0 50 CDAA C[C@@H](NC(=O)C1(Cn2ccnc2)CC1)c1cccnc1 534590855 CNTXRTSTHCVLIQ-GFCCVEGCSA-N 270.336 1.936 0 50 CDAA CCc1nnc(CNC(=O)Cc2ccc3nc(C)[nH]c3c2)o1 534593104 INSVWIJNKWKFQU-UHFFFAOYSA-N 299.334 1.676 0 50 CDAA O=C(NCCn1ccnc1)c1cc(C2CCNCC2)ccn1 534593344 VUHMLDHTEYQEBZ-UHFFFAOYSA-N 299.378 1.175 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)NCC(F)(F)F)CC1=O 352960216 DJSWHPIYNSZYCY-SSDOTTSWSA-N 266.263 1.312 0 50 CDAA CCOc1ccc2c(c1)C(=O)NC1(CCNCC1)O2 261494844 LQEMQQMGEBUIEQ-UHFFFAOYSA-N 262.309 1.287 0 50 CDAA O=C(O)CC[C@@]1(Cc2ccsc2)CCC(=O)N1 299800622 UHLHMUZAMWAPAR-GFCCVEGCSA-N 253.323 1.804 0 50 CDAA Cc1cc(NC(=O)N[C@@H]2CCOC2)n(C(C)C)n1 299780459 CJRUMZQJKUSZSC-SNVBAGLBSA-N 252.318 1.683 0 50 CDAA Cc1cc(NC(=O)NC[C@@H](O)CO)ccc1Cl 299775320 BGWYAOQVUKJLKD-SECBINFHSA-N 258.705 1.123 0 50 CDAA O=C(O)CNC(=O)CCCC(=O)OCc1ccccc1 575436661 OMKLOLMGKHUXDW-UHFFFAOYSA-N 279.292 1.101 0 50 CDAA COC(=O)N[C@H](C)c1ncnn1-c1ccc2c(c1)OCO2 824155936 LBXKHXMQGLBXRK-MRVPVSSYSA-N 290.279 1.413 0 50 CDAA CCOc1ccc(C)cc1S(=O)(=O)n1cnnc1 583645798 XKVAFPVECMBAKR-UHFFFAOYSA-N 267.310 1.222 0 50 CDAA Cc1cc(-c2nc(C(C)C)nn2CCO)c(=O)n(C)c1C 828778370 LSPQFAHKZLOBNC-UHFFFAOYSA-N 290.367 1.376 0 50 CDAA COCc1nc(CN2CCCC2)n(C(C)(C)C)n1 824485200 CJCLFODBDZQBPX-UHFFFAOYSA-N 252.362 1.775 0 50 CDAA C[C@H](Cn1cnc2ccncc2c1=O)Oc1cccnc1 584884291 WVASQPMANQGCBJ-LLVKDONJSA-N 282.303 1.654 0 50 CDAA CN(CCC1(O)CCCC1)C(=O)C[C@@H]1CCOC1 584887498 PXLAWFQTVBCLLM-LBPRGKRZSA-N 255.358 1.567 0 50 CDAA COCOCCCNC(=O)Nc1cccc2c1CCO2 585136125 RNCPIBJWGVVQKP-UHFFFAOYSA-N 280.324 1.754 0 50 CDAA Cn1cncc1C(=O)NCC(C)(C)N1CCCC1 584890534 NTWVFTGFHWPYNQ-UHFFFAOYSA-N 250.346 1.024 0 50 CDAA Cn1c(O)nnc1CCNC(=O)c1ccc(Cl)s1 670439898 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N=c1nc2c(c[nH]1)CCN(C(=O)C[C@H]1C[C@H]3CC[C@H]1C3)C2 585122621 IKVXTPRDOQSUTD-GMXVVIOVSA-N 286.379 1.600 0 50 CDAA C=CC(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O 585122746 JWBMFLHHAMCSKF-KOLCDFICSA-N 253.323 1.623 0 50 CDAA CCc1nc([C@@H](C)NC2CS(=O)(=O)C2)cs1 1615587610 IHZWMMGVBUUJLE-SSDOTTSWSA-N 260.384 1.153 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccnn1C1CCC1 1615554873 NJSRQTQHLFEZAF-GDBMZVCRSA-N 296.374 1.963 0 50 CDAA CC[C@@H](CO)N(Cc1ccccn1)Cc1cncn1C 1506408744 ZTDNSYHHCRXRSQ-AWEZNQCLSA-N 274.368 1.588 0 50 CDAA CCN(CC)c1nc2ncc(CN3CCNCC3)cc2o1 1908500615 LIGCCNJIZCYUPH-UHFFFAOYSA-N 289.383 1.474 0 50 CDAA O=C(NN1CCOCC1)c1ccc(Cl)cc1Cl 438289 WTWUADCIDQCKSM-UHFFFAOYSA-N 275.135 1.970 0 50 CDAA CCc1nn(C)c(NC(=O)[C@@H](C)S(=O)(=O)CC)c1C 1529152852 ZVRUMHSSZPMCQR-SECBINFHSA-N 287.385 1.053 0 50 CDAA CCc1cc(NC2(C(=O)O)CCCC2)nc(N(C)C)n1 1704313084 NDRKWMMVQXYOPU-UHFFFAOYSA-N 278.356 1.914 0 50 CDAA O=C1CCC[C@@H](C(=O)Nc2c(O)cccc2Cl)N1 643611035 UZSDZDZJXFUIFX-QMMMGPOBSA-N 268.700 1.653 0 50 CDAA CCOc1ccc(CC(=O)N2CCC[C@H](N)C2)cc1 157699795 FUAOASIGIRLOEP-ZDUSSCGKSA-N 262.353 1.578 0 50 CDAA Cc1cc(C)c(OCCNc2nnc(CN)o2)c(C)c1 1772711434 YUEJXCOJJLGJBM-UHFFFAOYSA-N 276.340 1.944 0 50 CDAA CSCC[C@H](N)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 237301830 KNADUFWHLQENDX-SRVKXCTJSA-N 273.446 1.008 0 50 CDAA COCCCN1C(=O)C[C@@H](Nc2ccc(F)cc2)C1=O 5016173 JXFKZATURZCNGK-GFCCVEGCSA-N 280.299 1.402 0 50 CDAA Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)cn1 12192162 MFEXJNBFOKSMKJ-CYBMUJFWSA-N 289.379 1.767 0 50 CDAA O[C@@H]1CN(CCCC2CCCC2)CC[C@H]1N1CCOCC1 12756322 DCPOTQBDHPYRKU-IAGOWNOFSA-N 296.455 1.724 0 50 CDAA CCCCN1C[C@H](C(=O)NCc2ccco2)CC1=O 16576806 OJQACEMFCDBXPD-LLVKDONJSA-N 264.325 1.544 0 50 CDAA CCOC(=O)C[C@H](O)CCNC(=O)OC(C)(C)C 16697194 UQTWSBWPFGVCAK-SECBINFHSA-N 261.318 1.215 0 50 CDAA C[C@H](CN1CCOCC1)OC(=O)COc1ccc(F)cc1 19456363 IMJCHNQTFUECEC-GFCCVEGCSA-N 297.326 1.468 0 50 CDAA CN1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 19868770 LRZJTRIBQGJBQT-UHFFFAOYSA-N 270.735 1.796 0 50 CDAA Cc1nc(N2CCc3[nH]nc(C(=O)O)c3C2)nc2c1CCC2 1857701461 LBONXPQEPFKMEE-UHFFFAOYSA-N 299.334 1.258 0 50 CDAA Cc1ncc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)c(=N)[nH]1 328843333 QMSUHSXNSKXVDM-BDAKNGLRSA-N 257.297 1.761 0 50 CDAA Cc1cccn2ncc(-c3nccn3[C@H]3CC(=O)N(C)C3)c12 1875245200 PDIDYZXDGZPWLR-LBPRGKRZSA-N 295.346 1.909 0 50 CDAA CC(=O)N1CCCN(C(=O)N[C@@H](C)c2cccnc2)CC1 342399604 UFJURFAFUFVBIF-LBPRGKRZSA-N 290.367 1.406 0 50 CDAA Cc1nc([C@@H]2CCOC2)sc1C(=O)Nc1cnn[nH]1 935595249 WLDYUVRRERFKAW-SSDOTTSWSA-N 279.325 1.326 0 50 CDAA CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NCC=C(C)C 952890793 NYKSQANOAPJRRQ-SWLSCSKDSA-N 276.384 1.779 0 50 CDAA CC[C@H](O)Cn1cc(-c2nc(-c3ccsc3)no2)nn1 1875274965 HLOXUWFDORVBBV-VIFPVBQESA-N 291.336 1.828 0 50 CDAA CCn1cc(NS(=O)(=O)c2cc(OC)ns2)cn1 1875281040 MPJHQRGNOWUYOR-UHFFFAOYSA-N 288.354 1.169 0 50 CDAA Cc1csc(C(=O)NCc2nc(C)c(C)[nH]2)n1 1875282501 HVPSMMRJWZGKIA-UHFFFAOYSA-N 250.327 1.721 0 50 CDAA O=C(NCc1ccccc1C(=O)O)c1cnn(C(F)F)c1 1875333114 BGSOHAVREBWVIP-UHFFFAOYSA-N 295.245 1.906 0 50 CDAA C=CC(=O)NCc1ccccc1N1CCC[C@@H](C(N)=O)C1 1875365963 BYMKCXPARRALAT-CYBMUJFWSA-N 287.363 1.191 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H](c1ccc[nH]1)C(F)(F)F 1875378747 JPNMRMNIWVNWAR-MALLOTDXSA-N 275.274 1.852 0 50 CDAA Cc1noc(=O)n1CCC(=O)Nc1cccc(F)c1 1875391587 FIEZEANMPOLBKV-UHFFFAOYSA-N 265.244 1.313 0 50 CDAA Cc1nc(NC[C@H]2COCCO2)cc(-c2ccccn2)n1 1168265689 QZEGCSIISPKXGD-LBPRGKRZSA-N 286.335 1.674 0 50 CDAA O=C(c1cnns1)N1CCOc2ccccc2[C@@H]1CO 887109224 HLTPXFKGUVTOEK-JTQLQIEISA-N 291.332 1.106 0 50 CDAA COc1ccc(CNC(=O)c2cn[nH]c2)cc1C(=O)O 1775988376 DRVHEFZWKSWSHT-UHFFFAOYSA-N 275.264 1.047 0 50 CDAA Cc1ccc2c(c1)[C@H]1NC(=O)N(C)[C@@]3(CCOC[C@@H]13)O2 1776005604 LEWPGJBDBALZPM-LNSITVRQSA-N 274.320 1.816 0 50 CDAA Cc1nc(O)c2c(n1)CN(c1ncnc3onc(C)c13)C2 1187216159 VIZVSGPCXWPTIL-UHFFFAOYSA-N 284.279 1.250 0 50 CDAA COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1C[C@H]1C(=O)O 252446369 SKIZRNPXFYSETD-BKDNQFJXSA-N 281.283 1.732 0 50 CDAA CC(C)[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)C(=O)O 263447063 RFEYHKGLVBKPFZ-SECBINFHSA-N 290.241 1.939 0 50 CDAA COC(=O)[C@@H](C(=O)NC[C@H]1CCCO1)C1CCCC1 33758 YVUQQXCYHUSPNM-VXGBXAGGSA-N 269.341 1.261 0 50 CDAA NC(=O)c1ccc(F)c(C(=O)N2CC[C@@H]3CCC[C@H]32)c1 2325784960 WCGSSWHTYBOLIN-TVQRCGJNSA-N 276.311 1.939 0 50 CDAA CNC(=O)C1=C(C)NC(=O)N[C@H]1c1cccs1 307029 JDZJQUPHUUCNFN-VIFPVBQESA-N 251.311 1.122 0 50 CDAA COC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 389172 ZXSGVNRCYQXHNK-UHFFFAOYSA-N 284.120 1.427 0 50 CDAA CNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 450259 KNXSDFXAVFOMBT-UHFFFAOYSA-N 284.381 1.322 0 50 CDAA NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 466318 KELJQNISZPELDA-SNVBAGLBSA-N 266.728 1.678 0 50 CDAA Cc1ccccc1-n1nnnc1SCC(=O)O 873604 LKFFPPBRVQAWFG-UHFFFAOYSA-N 250.283 1.147 0 50 CDAA O=C(NCCc1ccccc1Cl)C(=O)NC1CC1 2812093 WQQQFUDLCUAZOY-UHFFFAOYSA-N 266.728 1.277 0 50 CDAA CCCCc1ncc(CN2CCC[C@@]23CCCNC3=O)[nH]1 2356142580 YLCXUXUWEGQMKC-MRXNPFEDSA-N 290.411 1.997 0 50 CDAA O=S(=O)(CCO)c1cccc(Cl)c1Cl 2511135 MWJZTCGSINHMST-UHFFFAOYSA-N 255.122 1.759 0 50 CDAA Cc1noc(C)c1CN(C)[C@H]1C[C@H]2CC(=O)N(C)C[C@H]2C1 2356149154 MXYWDKCUXYIASP-MJBXVCDLSA-N 291.395 1.980 0 50 CDAA COc1ccc(C(=O)NN2CCCCC2)cc1OC 2753069 CEBDUXBAKGPQAI-UHFFFAOYSA-N 264.325 1.835 0 50 CDAA c1ccc([C@H]2CN(Cc3ccn4ncnc4c3)CCN2)cc1 2356170229 AUASNQBEUUYPDT-MRXNPFEDSA-N 293.374 1.876 0 50 CDAA C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)O 3394250 PEGZKAPFHJHBPG-SECBINFHSA-N 285.365 1.736 0 50 CDAA CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O 4026203 QPDMOMIYLJMOQJ-STQMWFEESA-N 260.337 1.258 0 50 CDAA biogenic,in-vitro O=C(Nc1ccccc1)O[C@H]1CCS(=O)(=O)C1 4538664 AIHRXFBSORYXBX-JTQLQIEISA-N 255.295 1.422 0 50 CDAA CCn1ccc(C(=O)NCc2ccccc2OC)n1 6728743 UJVBHKWKBIPEPW-UHFFFAOYSA-N 259.309 1.842 0 50 CDAA Cc1ccc(NC(=O)CC(=O)NCc2ncc[nH]2)c(C)c1 55168576 MIWVUEBRMJHRLY-UHFFFAOYSA-N 286.335 1.672 0 50 CDAA Cc1cc2cccc(C(=O)NC[C@@H]3CCC(=O)N3)c2o1 20203370 BUUCFZWFXDJLMG-NSHDSACASA-N 272.304 1.750 0 50 CDAA CCc1nc(C)c(C(=O)NC[C@@H]2COCCO2)s1 50589154 JAZWIHPYWQRMDY-SECBINFHSA-N 270.354 1.159 0 50 CDAA Cc1c(C(=O)NC(C)(C)C)cccc1N(C)S(C)(=O)=O 65361884 JQAWVFHOWCBGPI-UHFFFAOYSA-N 298.408 1.919 0 50 CDAA CC[C@@]1(C(=O)O)CCCN(C(=O)N2CCCC2)C1 62871686 VTTSPWYLOAPBHZ-CYBMUJFWSA-N 254.330 1.779 0 50 CDAA COc1cc(F)ccc1N1CCN(CCCC(=O)O)CC1 116402589 WZTHLSGZHYIMDX-UHFFFAOYSA-N 296.342 1.821 0 50 CDAA CCn1nc(C)cc1C(=O)N[C@@H](C)c1nncn1C(C)C 20878131 FLJMOWXLUFXIPZ-NSHDSACASA-N 290.371 1.875 0 50 CDAA CC1(C)[C@@H]2OCC[C@@H]2[C@H]1OC(=O)[C@@H]1CCCN(C(N)=O)C1 247347536 KYYGKSMRVCLKJK-WRWGMCAJSA-N 296.367 1.134 0 50 CDAA CN(Cc1ncc[nH]1)C[C@H]1CC(=O)N(C2CCCC2)C1 65373873 XZQCRMGXOIHMJY-GFCCVEGCSA-N 276.384 1.633 0 50 CDAA COc1ccc([C@H](C(=O)O)N2CCOCC2)cc1 16082876 KVVFCUTZDRVVRA-GFCCVEGCSA-N 251.282 1.153 0 50 CDAA Cc1nn(C)cc1[C@@H]1CC(=O)N2CCSC2=N1 170625914 RYBSFPWGFFYEFU-VIFPVBQESA-N 250.327 1.105 0 50 CDAA Cc1n[nH]c(CCC(=O)NCc2nc(C)c(C)n2C)c1C 20916050 LNKKNRWXLMKTMI-UHFFFAOYSA-N 289.383 1.626 0 50 CDAA C[C@@H](NC(=O)CCCS(N)(=O)=O)C1=CCCCC1 67843306 PGIRNUHVBOJKLI-SNVBAGLBSA-N 274.386 1.060 0 50 CDAA CCn1cc(-c2n[nH]c(=O)n2Cc2ccco2)c(C)n1 65380874 IAGDIWSJPYAJHD-UHFFFAOYSA-N 273.296 1.405 0 50 CDAA CCc1cccc(C)c1NC(=O)CN(C)S(C)(=O)=O 22606457 JPNBLYFXXBLKFF-UHFFFAOYSA-N 284.381 1.387 0 50 CDAA CC(C)C[C@H]1CN(c2cc(N(C)C)ncn2)CCO1 65399182 RIQPTSFHSKKTMC-LBPRGKRZSA-N 264.373 1.794 0 50 CDAA O=c1c2c3c(sc2ncn1C[C@@H]1CCCO1)CNCC3 65534024 HSFJISIYORYDNL-VIFPVBQESA-N 291.376 1.283 0 50 CDAA Cc1[nH]nc(O)c1Cc1nc(CCc2ccccc2)n[nH]1 67726851 WLAXHXXVXPPPMQ-UHFFFAOYSA-N 283.335 1.918 0 50 CDAA CCOC(=O)CC(=O)CNC(=O)OCc1ccccc1 38438983 YTNLTCWHKVPONV-UHFFFAOYSA-N 279.292 1.435 0 50 CDAA Cc1c(NC(=O)NC[C@H](CO)C2CC2)cnn1CC(C)C 353281976 MIITUFKJLPNJEX-CYBMUJFWSA-N 294.399 1.988 0 50 CDAA CC(=O)c1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)[nH]1 328590644 GCOSISXNRWPCDT-ONGXEEELSA-N 275.352 1.572 0 50 CDAA O=C(CCCc1nccs1)N[C@@H]1CNCCC1(F)F 423703227 ZWZQNEWWFKVNGA-SECBINFHSA-N 289.351 1.579 0 50 CDAA Cc1cccnc1NCCNC(=O)c1n[nH]c(N)c1Cl 219895011 JDEUWQUUAXQJFZ-UHFFFAOYSA-N 294.746 1.191 0 50 CDAA CCn1c(C)nnc1CN(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 252477151 JCNJXPDMMYAHJT-BNOWGMLFSA-N 278.400 1.852 0 50 CDAA CCOC(=O)CN(C)c1ccc(-c2nc(C)no2)cn1 39430174 MSAUCBXYINUHFG-UHFFFAOYSA-N 276.296 1.439 0 50 CDAA COc1ccc(C(=O)N(C)Cc2nnc(C)o2)cc1C 215806817 FEGCVULRPWFWRO-UHFFFAOYSA-N 275.308 1.967 0 50 CDAA CCCc1nc(C(=O)NC[C@]2(O)CCCNCC2)cs1 72148543 FAQGIECMPCTHAK-AWEZNQCLSA-N 297.424 1.330 0 50 CDAA CCN1CCCC[C@H]1CNC(=O)Cc1cc(C)no1 219626531 SNKAMSCVSVRNNG-LBPRGKRZSA-N 265.357 1.516 0 50 CDAA Cc1noc([C@H]2CCCN(C(=O)Cc3ccoc3)C2)n1 122009595 USWARLPKMHSZHY-LBPRGKRZSA-N 275.308 1.920 0 50 CDAA Cc1cc(N2CCN(Cc3cnc[nH]3)CC2)cc(C)n1 216182187 KUFXAIGGNAHJPJ-UHFFFAOYSA-N 271.368 1.744 0 50 CDAA CS(=O)(=O)N(CC[C@@H]1CCCCO1)Cc1ccccn1 330834684 WKTBQCPPZNLXKV-AWEZNQCLSA-N 298.408 1.802 0 50 CDAA CC[C@H](C)[C@H](NCc1nnnn1C(C)(C)C)C(=O)OC 362189276 JKJMVDNYJDJQKF-ONGXEEELSA-N 283.376 1.105 0 50 CDAA COC[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=N)O 331377516 IMFDFPOBECPZLT-MMWGEVLESA-N 254.330 1.431 0 50 CDAA CN1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 72474881 RXIQZSQYKYEZLW-GFCCVEGCSA-N 263.389 1.220 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2sc(C)nc2C)[C@@H]2CCO[C@@H]21 218966137 DSXVSJFFYCQPAT-BJDJZHNGSA-N 296.392 1.540 0 50 CDAA O=C(CN1C[C@@H](O)C2(CC2)C1)N1CCCc2ccccc21 335858782 KTNZPUQAWDJFST-OAHLLOKOSA-N 286.375 1.423 0 50 CDAA CCCC(C)(C)NC(=O)[C@H]1CC12CCS(=O)(=O)CC2 370597735 OYWRYGDBVOYLOI-LLVKDONJSA-N 287.425 1.896 0 50 CDAA Cn1ccnc1[C@H](c1ccccc1F)N1C(=O)CNC1=O 335956712 YAYAGBNLFWRHEO-LBPRGKRZSA-N 288.282 1.200 0 50 CDAA CC1(C(=O)NCCc2nc(=O)o[nH]2)CCCCCC1 333348123 VGBFSOAQZMPUED-UHFFFAOYSA-N 267.329 1.382 0 50 CDAA C[C@@H]1C[C@@H](C)CN(C[C@@H](C)NCc2cncn2C)C1 237556772 SNTWXYCBXSGDAJ-MGPQQGTHSA-N 264.417 1.876 0 50 CDAA CCOC(CNC(=O)c1ccc(OC)c(OC)c1)OCC 44123754 ASTWERHVCZDCRJ-UHFFFAOYSA-N 297.351 1.833 0 50 CDAA Cc1nc[nH]c1-c1nccn1[C@@H]1CCCCNC1=O 82137716 GEKMUJFQJCPUCV-SNVBAGLBSA-N 259.313 1.423 0 50 CDAA COC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 226088342 CIJLQDGRLSIXSD-LLVKDONJSA-N 285.365 1.631 0 50 CDAA Cn1c(C(=O)NCCn2cncn2)cc2cc(F)ccc21 426477438 SKCUPOFLZXVNOJ-UHFFFAOYSA-N 287.298 1.339 0 50 CDAA O=C(NC[C@@H]1CCC[C@@H]1O)c1cnc(OCC2CC2)cn1 286235160 TUIPNXOHAHKYKO-AAEUAGOBSA-N 291.351 1.156 0 50 CDAA c1cnc(-n2cccn2)c(CN[C@@H]2CCN(C3CC3)C2)c1 176828419 BIZNJOAUTAXALT-CQSZACIVSA-N 283.379 1.594 0 50 CDAA Cc1nc(CCN(C)C(=O)[C@H](C)n2ccnc2C)no1 426388407 MCVOJJUVWZQTEK-VIFPVBQESA-N 277.328 1.145 0 50 CDAA CCc1ccccc1OC1CN(C(=O)c2ccn(C)n2)C1 91305322 PWPICSBSWIGCOH-UHFFFAOYSA-N 285.347 1.886 0 50 CDAA Cn1cc(NC(=O)NCCc2cccs2)nn1 96140504 ZHQPIGVGZGUTBM-UHFFFAOYSA-N 251.315 1.241 0 50 CDAA COC[C@H]1CN(CC(=O)c2cc(C)[nH]c2C)CC(C)(C)O1 330556700 ZOEOKAZWWISPPK-CYBMUJFWSA-N 294.395 1.940 0 50 CDAA COCCN1C[C@H](CNc2nnc(C(C)(C)C)o2)CC1=O 91998056 STSWKTDCQPJVLV-JTQLQIEISA-N 296.371 1.274 0 50 CDAA COCCn1cnnc1CCNc1cc(C2CC2)ncn1 91932397 QAVOKDWXSHCMET-UHFFFAOYSA-N 288.355 1.247 0 50 CDAA Cc1ccc(OCC(=O)N(C)[C@@H]2CCNC2)cc1C 179065599 JOHZPOGLQUTMHP-CYBMUJFWSA-N 262.353 1.503 0 50 CDAA CN(CCc1nc2c([nH]1)CCCNC2=O)c1ccccc1 95357908 LAFKULXEONLVFE-UHFFFAOYSA-N 284.363 1.765 0 50 CDAA CC(C)n1ccnc1Cn1ncc(N(C)C)cc1=O 95375625 LRJUXDFKWFFIFL-UHFFFAOYSA-N 261.329 1.135 0 50 CDAA COc1c[nH]c(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1=O 524735632 OQJBWBULPLPCRN-UHFFFAOYSA-N 289.295 1.021 0 50 CDAA CC(=O)NCCCC(=O)N[C@@H](C)c1ccc(C)nc1 244899642 ZNFRWZULEXUYTO-NSHDSACASA-N 263.341 1.484 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)CCCc1cn[nH]c1 244724408 MTIGOENYPNAMGP-NSHDSACASA-N 290.371 1.611 0 50 CDAA CC(C)(C)n1ncnc1CN1CCCC[C@@H]1c1nnc[nH]1 294195238 GPNKSRKDSDIYPC-LLVKDONJSA-N 289.387 1.878 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)s1 299524453 IVABDFLSOKCGQL-JTQLQIEISA-N 294.380 1.434 0 50 CDAA NC(=O)[C@@H]1CC[C@H]1C(=O)N=c1cc(-c2ccccc2)o[nH]1 621883414 LVLBDXSMYKVNIP-GHMZBOCLSA-N 285.303 1.214 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C(F)(F)F 299741137 CZFBDCHXIYFWLF-RKDXNWHRSA-N 288.225 1.417 0 50 CDAA CC[C@H]1CCCN1Cc1cnc(N(C)CC(=O)O)nc1 534585897 RCSXCZZVMOEOKA-LBPRGKRZSA-N 278.356 1.372 0 50 CDAA C[C@@H](CN1CCCCC1)C(=O)NCCc1ncc[nH]1 534636205 OMSRGHUTQYTWKS-LBPRGKRZSA-N 264.373 1.190 0 50 CDAA Cn1ncc(Cl)c1C(=O)NCC[C@@H]1CCOC1 534641495 HIEJGUQVWYNQEP-MRVPVSSYSA-N 257.721 1.230 0 50 CDAA C[C@H](NC(=O)c1ccc(-n2ccnc2)cc1)[C@@H](C)C(=O)O 263461870 QCMGDZSFKSMOLV-MNOVXSKESA-N 287.319 1.711 0 50 CDAA COCCCNC(=O)c1cccc(-c2nc(OC)n[nH]2)c1 534658062 GRRSFAOMWROFLA-UHFFFAOYSA-N 290.323 1.247 0 50 CDAA OC[C@]1(O)CCN(Cc2cc(O)c3cc(F)ccc3n2)C1 299765252 KZVGTALGEZSOQX-HNNXBMFYSA-N 292.310 1.009 0 50 CDAA Cc1cnn(CCCN2CCC[C@@H](c3nc[nH]n3)C2)c1 825253226 BSPULJMLGRBQGU-CYBMUJFWSA-N 274.372 1.579 0 50 CDAA Cc1ncnc(C)c1C(=O)NCCc1cn2ccccc2n1 584899722 FZMSEPCFVGLYEE-UHFFFAOYSA-N 295.346 1.714 0 50 CDAA OCC[C@@H]1CN(c2ncc(Cl)cn2)CCN1CC1CC1 670461925 DAEHXDRPRFXPFP-CYBMUJFWSA-N 296.802 1.413 0 50 CDAA CC[C@@H](CCCc1c(O)nc(O)nc1O)C(=O)O 19862327 SKQJJNVLRHAHTK-LURJTMIESA-N 256.258 1.027 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299.422 1.910 0 50 CDAA CC(C)c1cc(CNC(=O)c2nc3ncccn3n2)on1 215055107 YNCCKGIOJNTTGJ-UHFFFAOYSA-N 286.295 1.166 0 50 CDAA CN(C[C@@H]1CCCCO1)S(=O)(=O)NCc1ccccc1 71753861 FLPCRVCFTJJHMZ-AWEZNQCLSA-N 298.408 1.522 0 50 CDAA O=C(c1cccc2nc[nH]c12)N1CCOC[C@@H]1c1ncon1 367916594 IMYFJYZJELTJOR-LLVKDONJSA-N 299.290 1.160 0 50 CDAA O=C(N1CCOC2(CCCC2)C1)[C@]1(O)CCSC1 158462170 JZWMBJDUYMZLOL-ZDUSSCGKSA-N 271.382 1.026 0 50 CDAA Cc1n[nH]c(C)c1CCN1CCC[C@@H](N2CCCC2=O)C1 71764062 QXHCNWIPXOMPBP-CQSZACIVSA-N 290.411 1.656 0 50 CDAA Cc1ccc(NC(=O)C2CCN([C@H](C)C(=O)O)CC2)nc1 262673727 SSERWACGGVWCTR-LLVKDONJSA-N 291.351 1.514 0 50 CDAA CCN(Cc1cn(C)nn1)C(=O)c1csnc1C 330825813 QHDOJVWLOCXNNF-UHFFFAOYSA-N 265.342 1.242 0 50 CDAA Cc1nc(N)sc1C(=O)N[C@H](C)Cc1cnccn1 216384801 RECCKGVCDSVLNX-SSDOTTSWSA-N 277.353 1.185 0 50 CDAA C[C@H]1CCCN(C(=O)/C=C/c2ccnn2C)[C@@H]1CN 156907727 GDVOBBWQOYIQSU-LRLQIDNFSA-N 262.357 1.019 0 50 CDAA Cc1cc(CC(=O)N2CCCC[C@@H]2Cn2ccnn2)no1 371399445 XKTAENAWCBQPAX-CYBMUJFWSA-N 289.339 1.198 0 50 CDAA Clc1cccc(CN2CC(N3CCOCC3)C2)c1 214993991 RFALORASKOMNFU-UHFFFAOYSA-N 266.772 1.856 0 50 CDAA C[C@H](NC(=O)/C=C/CN(C)C)c1ccc(-n2ccnn2)cc1 492244647 UVEFWDIEZLQRSS-IHVVCDCBSA-N 299.378 1.562 0 50 CDAA Oc1nc(C(F)(F)C(F)(F)F)nc2c1CCNC2 77505184 GSGQUHZPVZOZNE-UHFFFAOYSA-N 269.173 1.482 0 50 CDAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)CN 237009568 ZQJFBJMSWRYHEZ-UHFFFAOYSA-N 276.384 1.105 0 50 CDAA CCc1cnccc1C(=O)N1CC[C@H](n2cccn2)C1 336524360 STEBSFSWZBHJHF-ZDUSSCGKSA-N 270.336 1.928 0 50 CDAA CCc1nccn1CCNC(=O)[C@H]1CCC[C@@H](O)C1 222447997 LWLRDZCCOMETMW-NWDGAFQWSA-N 265.357 1.113 0 50 CDAA COCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 224819118 BOUSFLSPWUQALZ-UHFFFAOYSA-N 278.352 1.745 0 50 CDAA CC[C@H](NC(=O)Cc1cnccn1)c1cccc(C)n1 222483425 MRWAHJACWSAIDG-ZDUSSCGKSA-N 270.336 1.990 0 50 CDAA Cc1cccnc1C(=O)Nc1cccc(-n2nnnc2C)c1 426173122 RJWBVZVJUXQIRL-UHFFFAOYSA-N 294.318 1.926 0 50 CDAA C[C@@H](CNS(=O)(=O)CC1CCCC1)Cn1cccn1 177744994 MALNMSWHWZZWIA-LBPRGKRZSA-N 285.413 1.629 0 50 CDAA CCOc1cccnc1C(=O)N1CCC(C(=O)O)CC1 178183501 YBOMHYHLQKZZQC-UHFFFAOYSA-N 278.308 1.417 0 50 CDAA O=C(Nc1cccnc1F)N1CCC2(CC1)C[C@@H](O)CO2 95506208 RGNWIRHKGXXRLQ-SNVBAGLBSA-N 295.314 1.368 0 50 CDAA Cc1nnc2n1[C@@H](C)CN(C(=O)c1ccc3c(c1)CCO3)C2 96140876 JBPQTDBSIDCKEF-JTQLQIEISA-N 298.346 1.738 0 50 CDAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(-n2cnnc2)cc1 237448310 KZBCFOACABTVNM-WFASDCNBSA-N 299.378 1.609 0 50 CDAA Cn1cnc2cc(C(=O)N[C@@H]3CCCNC3)ccc21 97334326 VDQUWYWTIZXYHE-LLVKDONJSA-N 258.325 1.055 0 50 CDAA C[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)CC[C@]1(C)O 91906859 JWPNIMGVCPOHTR-PELKAZGASA-N 273.283 1.511 0 50 CDAA O=C(O)CCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 149330513 QDFBHMCACQXZSP-UHFFFAOYSA-N 299.239 1.406 0 50 CDAA CCn1nc(CCOC)nc1CN(C)C1CCCC1 96166487 RJAQGSSRJPDLRK-UHFFFAOYSA-N 266.389 1.861 0 50 CDAA CC(C)Oc1cccnc1C(=O)N(C)[C@H]1CCNC1 179095110 ICUGBTBNLLCMLG-NSHDSACASA-N 263.341 1.303 0 50 CDAA C[C@@H]1SCCN(C(=O)CCc2cncnc2)[C@H]1C 292819263 OIYSFOKCDCGWAG-QWRGUYRKSA-N 265.382 1.762 0 50 CDAA C[C@H](CNC(=O)c1cc(-c2ccccc2O)n[nH]1)C(=O)O 95364738 CSFHNYFSEDBYEE-MRVPVSSYSA-N 289.291 1.233 0 50 CDAA CC(C)(C)OC(=O)N1CC2(C[C@H](CC(=O)O)CO2)C1 238730551 LTMIADFDXMGGRP-VIFPVBQESA-N 271.313 1.487 0 50 CDAA CN(C)C[C@@H](O)CNC(=O)c1sccc1Cl 534577608 FELBRELUWOOATP-ZETCQYMHSA-N 262.762 1.054 0 50 CDAA COc1cc(C(=O)CN)c(OC)cc1Br 83255737 HFYJGAIOBIDRPX-UHFFFAOYSA-N 274.114 1.608 0 50 CDAA in-vitro CCN(CCO)CCNC(=O)/C=C/c1ccccc1C 183998043 FJVDRSCYVMYCQT-CMDGGOBGSA-N 276.380 1.439 0 50 CDAA CC[C@H](C)[C@@H](C(=O)NCCc1ccccn1)n1cnnn1 604419338 AAPPJCYLBNQPAC-AAEUAGOBSA-N 288.355 1.014 0 50 CDAA NC(=O)[C@@H](O)C1CCN(Cc2cc(F)cc(F)c2)CC1 299741757 FVXXQKNBEVFMAX-ZDUSSCGKSA-N 284.306 1.023 0 50 CDAA Cc1ccccc1OCC(=O)N1CCC[C@H]([C@@H](C)N)C1 299739664 RDHMSAKSBQQJBQ-KGLIPLIRSA-N 276.380 1.960 0 50 CDAA COCC1(CNC(=O)c2[nH]nnc2C)CCCC1 534651749 HVAPRNRIHNBXKB-UHFFFAOYSA-N 252.318 1.050 0 50 CDAA Cc1nc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)cs1 299790817 CDICSFVMMLMDOL-QWHCGFSZSA-N 291.380 1.389 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1nccn1C)C1CC1 299800088 VRYZLWMIJMPUAN-CQSZACIVSA-N 287.367 1.570 0 50 CDAA O=C(NC[C@@H]1CCC2(CCNCC2)O1)C1CCCCC1 299768401 JFTMDEWSWUDWQY-AWEZNQCLSA-N 280.412 1.984 0 50 CDAA CCCCn1nc(-c2ccco2)nc1C1=NNC(=O)CC1 822888743 ITHXTVZNTHHDCF-UHFFFAOYSA-N 287.323 1.952 0 50 CDAA CCN(C)C1(CNC(=O)CCCC(=O)O)CCCC1 823067790 FIZPDUVWLKMLDD-UHFFFAOYSA-N 270.373 1.622 0 50 CDAA CCCN1C[C@H](NS(=O)(=O)CC2CCCC2)CC1=O 822919239 VXZRYDLDCUQSHX-GFCCVEGCSA-N 288.413 1.107 0 50 CDAA CCc1nc(CN(C)C(=O)c2cncc(F)c2)no1 584894374 XUJJZTSLNPABOO-UHFFFAOYSA-N 264.260 1.438 0 50 CDAA CNC(=O)CCc1nc(C)nn1Cc1ccccc1Cl 823819860 ZDBWIJGVDPFOBB-UHFFFAOYSA-N 292.770 1.967 0 50 CDAA CCN(CC(F)(F)F)C(=O)N[C@@H](C)c1n[nH]c(=N)s1 584892242 DCKKMRUIMIOUEX-YFKPBYRVSA-N 297.306 1.605 0 50 CDAA O=C(NCc1noc(C2CC2)n1)c1cnc(O)c(Cl)c1 670437711 GIKQQKDTVYXTSC-UHFFFAOYSA-N 294.698 1.631 0 50 CDAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1n[nH]c2ccccc12 584889468 KBCORJPAOYMENC-OLZOCXBDSA-N 298.390 1.801 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@@H]1COc2ccccc2O1 741195566 GDKDETLUYZEZIZ-ZDUSSCGKSA-N 273.292 1.507 0 50 CDAA CCN(C[C@H](C)O)C(=O)C[C@H]1CC(=O)Nc2ccccc21 1548451633 LZJFRLKFQYCVLE-NWDGAFQWSA-N 290.363 1.732 0 50 CDAA c1cn2cnnc2c(N2CC[C@@H](n3cc(C4CC4)nn3)C2)n1 1548475985 OKUNERCBVUDSRG-LLVKDONJSA-N 296.338 1.045 0 50 CDAA COC[C@H]1CCCN(C(=O)C2=C(C)OCCO2)C1 952965562 RUYCNSIPSYRPBG-NSHDSACASA-N 255.314 1.150 0 50 CDAA C[C@H](NCc1ccc(CCN)cc1)c1nncn1C 952862208 NHEIHQLDDLUHSQ-NSHDSACASA-N 259.357 1.167 0 50 CDAA CC(C)(CO)C(C)(C)NC(=O)[C@H]1C[C@]12CCOC2 408233356 TXDXWVAOXSPKCF-YGRLFVJLSA-N 255.358 1.326 0 50 CDAA C[C@H]1CN(c2nc3c(F)cccc3o2)C[C@@H](CO)O1 408356709 RONROFPWEBPNTE-IUCAKERBSA-N 266.272 1.553 0 50 CDAA C[C@H]1CN(CC(C)(C)N2CCOCC2)C[C@]1(O)C1CC1 1565529140 OCUUBMWGWYQRNB-XJKSGUPXSA-N 282.428 1.190 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2cn[nH]c2)cnn1C 275236919 FMQPFBKGKCVFNQ-JQWIXIFHSA-N 275.312 1.168 0 50 CDAA c1ccn2ncc(CNC[C@H]3CCc4nccn4C3)c2c1 275353360 AFWRXMDTWMHZAR-CYBMUJFWSA-N 281.363 1.883 0 50 CDAA CC(=O)N(C[C@H]1CCCN1Cc1ccnn1C)C1CC1 275477219 ATSVOLDVCCYFLW-OAHLLOKOSA-N 276.384 1.395 0 50 CDAA Cc1cc(CNC(=O)c2ccncc2)nc(N(C)C)n1 170608504 FRHXLOVAQIQSQR-UHFFFAOYSA-N 271.324 1.176 0 50 CDAA CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)c1ccccc1N(C)C 574992361 FWCJTMWVUPBWMZ-NEPJUHHUSA-N 289.379 1.440 0 50 CDAA CC(C)NC(=O)[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 664592284 VNRNEVNJBRQEOI-LLVKDONJSA-N 287.367 1.699 0 50 CDAA O=C(O)[C@H](C1CC1)N1CC[C@H](CNc2ccccn2)C1 635015911 IATSHRQHCNHNMG-RISCZKNCSA-N 275.352 1.679 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)NCc1cccc(CO)c1 189197510 LZYPJTIPNUWOAZ-BXUZGUMPSA-N 263.337 1.610 0 50 CDAA CCc1nc(CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)no1 190752134 OTQQRXJTPLGFPG-GFCCVEGCSA-N 299.330 1.750 0 50 CDAA CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 190741929 LRXDBUOFMLGBGX-CABCVRRESA-N 288.391 1.754 0 50 CDAA O=C(C[C@@H]1CCCO1)NCCc1c[nH]c2ncccc12 676931608 YBDHSKVCGTZRNC-LBPRGKRZSA-N 273.336 1.791 0 50 CDAA COc1cnc(NC(=O)N2CC[C@@H](n3cccn3)C2)s1 584087561 LHDZODVNOBSECI-SECBINFHSA-N 293.352 1.827 0 50 CDAA O=C(CCc1ccc(O)nc1)N1CCC[C@H](F)C1 568138749 UVHOMOKUEBKZEC-NSHDSACASA-N 252.289 1.680 0 50 CDAA O=C([C@H]1C[C@H]1Cc1ccccc1)N1CCCS1(=O)=O 756234657 YLMFNLZDEFYVCO-OLZOCXBDSA-N 279.361 1.427 0 50 CDAA COc1cccc(CNC[C@H]2CN3CCC2CC3)n1 1474734890 GXOCFNQJOLHWOC-ZDUSSCGKSA-N 261.369 1.522 0 50 CDAA COc1cc(CCNC(=O)[C@H]2C[C@@H]3[C@H](N)C[C@H]3C2)ccn1 1615544366 AZJPYHIJVHPYDG-YIYPIFLZSA-N 289.379 1.122 0 50 CDAA CN(C)C(C)(C)CNCc1cnn([C@H]2CC2(F)F)c1 1615588055 NOQVDTAHGYLEFR-NSHDSACASA-N 272.343 1.893 0 50 CDAA COc1nsc(CN[C@H]2CCc3ncnn3C2)c1Cl 1616039206 XSLQGXDDNMHWAG-ZETCQYMHSA-N 299.787 1.501 0 50 CDAA CN(C)C(=O)CN1CCCN(CCCC(F)(F)F)CC1 1506407157 OUYLCJYHFIUPDD-UHFFFAOYSA-N 295.349 1.425 0 50 CDAA Cc1cc2c(cn1)CN(S(=O)(=O)c1cc(C)nn1C)C2 1857676733 RQPJKVMJQJDOQO-UHFFFAOYSA-N 292.364 1.136 0 50 CDAA CC[C@@]12COC(=O)N1CCN(c1ncc(Cl)cn1)C2 1857689214 JFZNWXWVDZTNBR-GFCCVEGCSA-N 282.731 1.551 0 50 CDAA Cc1cc(O)nc(C)c1NC(=O)C1CCOCC1 1857735383 BGCWXMMAMFTURU-UHFFFAOYSA-N 250.298 1.769 0 50 CDAA Cc1nc(O)cc(CN(CCO)Cc2cccs2)n1 1529172712 GZLRKMPCRNVRSI-UHFFFAOYSA-N 279.365 1.547 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)O)CNCC[C@@H]12 211174746 NXSFCOFBYPGVMY-NOZJJQNGSA-N 270.329 1.060 0 50 CDAA in-vitro C[C@H]1CN(c2nnc3ccccn23)C[C@]1(O)C1CCC1 212910877 OIWUTWGGFBECAB-XHDPSFHLSA-N 272.352 1.717 0 50 CDAA CC(C)NS(=O)(=O)CCNCCc1ccccc1 670419531 KGUPEQXWECNCIO-UHFFFAOYSA-N 270.398 1.147 0 50 CDAA CCNC(=O)C(C)(C)CN[C@@H]1C[C@@H]2OCCC[C@@H]21 225421008 CEHUHTHQWKXSPY-UTUOFQBUSA-N 254.374 1.306 0 50 CDAA COCc1ncsc1C(=O)N1CCC[C@@](C)(O)CC1 331671672 RUUGTWQBEBOYPB-CYBMUJFWSA-N 284.381 1.667 0 50 CDAA O=C(C1CCC1)N1CCCN([C@H]2CCSC2)CC1 584885306 IDBNLVVYBJFEBY-ZDUSSCGKSA-N 268.426 1.826 0 50 CDAA Cc1oc(CNC(=O)c2cncnc2)cc1C(=O)O 229799483 UULFCDUFOYESEB-UHFFFAOYSA-N 261.237 1.006 0 50 CDAA Cc1ccc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 5751839 CXZXKFWOJITWDT-ZDUSSCGKSA-N 282.365 1.694 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)[C@@H]1CCCNC1 12648316 LCYIVBQGRXYEAH-NXEZZACHSA-N 272.345 1.354 0 50 CDAA Cc1noc(-c2ccc(N3CCCOCC3)nc2)n1 14959114 MBVOLLAYTLBKJE-UHFFFAOYSA-N 260.297 1.667 0 50 CDAA CCN(CC)S(=O)(=O)NC(=O)c1c[nH]c2ccccc12 16577351 XRBGITJUJOTZJC-UHFFFAOYSA-N 295.364 1.484 0 50 CDAA CCCN(C)S(=O)(=O)c1cc(C(N)=O)ccc1C 16622779 UDQBUVZLYRPAST-UHFFFAOYSA-N 270.354 1.124 0 50 CDAA Cc1sc2ncc(C(=O)NCC(C)C)c(=O)n2c1C 16625592 LMYLOVBPYBGLQV-UHFFFAOYSA-N 279.365 1.759 0 50 CDAA CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)cs1 17070382 NDILETAJGBXVLD-UHFFFAOYSA-N 288.394 1.234 0 50 CDAA CCN1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 19225409 ZCFWWTKTZWQHDT-ZDUSSCGKSA-N 279.428 1.461 0 50 CDAA Cc1cc(C)cc(C(=O)NCCCN2CCOCC2)c1 19869024 DWOINDUZVXQESW-UHFFFAOYSA-N 276.380 1.756 0 50 CDAA CN1CC2(C1)CN(C(=O)Cc1ccccc1Cl)C2 1857674988 GPZQWRQZMRXVSQ-UHFFFAOYSA-N 264.756 1.657 0 50 CDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc2c(c1)CCO2 1857704351 OPWSIWXXNBZWBU-SWLSCSKDSA-N 286.375 1.817 0 50 CDAA NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccoc2C2CC2)C1 334460326 MYTFMPMFUJXITA-JTQLQIEISA-N 298.364 1.050 0 50 CDAA C[C@H]1CN2C[C@H](NC(=O)c3cccn3C3CC3)C[C@H]2CO1 1875245771 PSOGQDPOXPDETI-SCRDCRAPSA-N 289.379 1.414 0 50 CDAA CN(C)c1ncnc2c1ncn2CC(=O)NCC(C)(C)C 629151452 VYCDSGFJWRGIFH-UHFFFAOYSA-N 290.371 1.055 0 50 CDAA CN1CCc2cc(-c3ccccc3S(N)(=O)=O)cnc21 1875243671 RQRPUKXXIGALMO-UHFFFAOYSA-N 289.360 1.388 0 50 CDAA CO[C@H](C(=O)NC1CCC(F)(F)CC1)c1cnn(C)c1 330380169 HGQFWWRUMOOSBG-NSHDSACASA-N 287.310 1.802 0 50 CDAA Oc1nc(=NC[C@@H]2CCCC2(F)F)nc2[nH][nH]cc1-2 333755287 YLHWEHJMLHHQRO-LURJTMIESA-N 269.255 1.279 0 50 CDAA C[C@@H](CO)Nc1nc(-c2ccccn2)nc2c1CCC2 265337265 OMCHQDUAOKJUAA-JTQLQIEISA-N 270.336 1.820 0 50 CDAA C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O 35570881 BBGSNKXBKDVHPM-PWSUYJOCSA-N 263.293 1.976 0 50 CDAA in-vitro CC(C)(C)NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 4975873 NSBKXPUBJDWVPG-SNVBAGLBSA-N 252.358 1.692 0 50 CDAA OC[C@H]1C[C@H](NC[C@@H](O)c2c(F)cccc2F)C1 905638294 BRHMHCJMQYGDDX-KBVBSXBZSA-N 257.280 1.359 0 50 CDAA Cc1noc(COC2CN(C(=O)C[C@H]3CCCCO3)C2)n1 818660151 JHEJWMNWLTYNGQ-LLVKDONJSA-N 295.339 1.065 0 50 CDAA Cc1cnn(CCC(=O)NC[C@](C)(CC(C)C)C(=O)O)c1 923185511 XNGUUMTYDQLPDX-HNNXBMFYSA-N 295.383 1.835 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)C1C[C@@H]2CC[C@H](C1)S2 923197054 LAASQIAXTJJMRO-XCFWKSQHSA-N 295.404 1.886 0 50 CDAA CN(C(=O)COc1ccc(F)cc1F)C1CCNCC1 237078692 DPTLAUGDSKKVGW-UHFFFAOYSA-N 284.306 1.554 0 50 CDAA O=C(c1ncccc1NCC1CCC1)N1CCC[C@H](O)C1 952993685 KFVNEDIUEQSQOS-ZDUSSCGKSA-N 289.379 1.891 0 50 CDAA O=C(c1ccnc2nccnc12)N1C[C@H]2CC[C@H]1C2 1875292620 NZDXSGCHKZJWKI-UWVGGRQHSA-N 254.293 1.649 0 50 CDAA O=C1N[C@H](CC(F)(F)F)C(=O)N[C@H]1c1ccccc1 1875278871 QYDCDJUFVVWTDA-BDAKNGLRSA-N 272.226 1.295 0 50 CDAA CCN(C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C)C1COC1 1875293797 CRMQECWVJKBTKS-DTWKUNHWSA-N 279.340 1.293 0 50 CDAA CN(C)[C@H]1CCCN(Cc2nnc(C(F)(F)F)o2)C1 1875251992 ZMFBLQYFPVMGIM-QMMMGPOBSA-N 278.278 1.614 0 50 CDAA O=C1C[C@H]2Cc3ccc(Br)cc3C2=NN1 1875309855 QWPRGOKTUNEEMQ-SSDOTTSWSA-N 265.110 1.845 0 50 CDAA COCCNC(=O)c1ccc(N2CC[C@H]([C@H](C)O)C2)cc1 1875319207 SPOXFSMPCXQZPM-JSGCOSHPSA-N 292.379 1.270 0 50 CDAA Cc1nc(N2CC[C@]3(C2)OC[C@H]2C[C@@H]23)c2cc[nH]c2n1 1875306573 KYTVLYZFOAOXRF-IFUGULHKSA-N 270.336 1.882 0 50 CDAA CC(C)[C@H](C(=O)NS(C)(=O)=O)n1cnc2ccccc21 1875390753 GLEUHZKMHDCHSP-GFCCVEGCSA-N 295.364 1.309 0 50 CDAA CN(C(=O)/C=C/CN1CCCC1)[C@H]1CCCOC1 1875337969 KTJFFLBETJROGP-LVDDQXARSA-N 252.358 1.276 0 50 CDAA CN(Cc1nc(O)n[nH]1)C(=O)CCc1ccccc1F 1775998449 DIAHGXVWKRDJPH-UHFFFAOYSA-N 278.287 1.241 0 50 CDAA CCc1ccc2c(c1)CCN2C(=O)[C@@H]1NCc2ncncc21 1775962275 BOMCZTHNNJFRSB-MRXNPFEDSA-N 294.358 1.773 0 50 CDAA O=C1NC2(COC2)C(=O)N1Cc1ccc(Cl)s1 1775992732 ULKURCHLRVRTOV-UHFFFAOYSA-N 272.713 1.222 0 50 CDAA O=C(NCC(F)(F)C(F)F)[C@@H]1C[C@@H]2CCCC[C@H]2N1 261568280 JSPHZCDMEXFAMT-YIZRAAEISA-N 282.281 1.924 0 50 CDAA Cn1cc(Cl)cc1C(=O)NC[C@](C)(O)C(F)(F)F 270840916 FBQDBQBMQPOISO-VIFPVBQESA-N 284.665 1.722 0 50 CDAA COc1cc(C)nc(CN2CC[C@]3(CNC(=O)C3)C2)c1 278934928 TWRZSRCFLNJCOL-HNNXBMFYSA-N 275.352 1.111 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@H]1CCCCO1)CC1CC1 405442307 VVXGVOUZTJWQBE-WDEREUQCSA-N 255.314 1.173 0 50 CDAA C[C@@]1(C(=O)N[C@H](CO)Cc2ccccc2)CCCOC1 331313545 WICGXFUOLBNWGY-GOEBONIOSA-N 277.364 1.523 0 50 CDAA CCOC(=O)CSc1nnnn1-c1ccc(C)c(C)c1 107766 LBTQINWMJYDJGF-UHFFFAOYSA-N 292.364 1.934 0 50 CDAA C[C@H](C(=O)NCc1cncs1)N1CCSCC1 2325734418 LHBYIZBWJMTVEY-SECBINFHSA-N 271.411 1.197 0 50 CDAA O=C(O)[C@H]1CN(S(=O)(=O)c2ccco2)CC(F)(F)C1 2325773123 VKSHVGYXPGGSEI-SSDOTTSWSA-N 295.263 1.010 0 50 CDAA CSc1n[nH]c(=NC(=O)N2C[C@@H]3CCC[C@@H]32)s1 2325781963 JLQUWBXMSVXEDU-BQBZGAKWSA-N 270.383 1.698 0 50 CDAA CCOC1CCN(C(=O)c2cnc3ccnn3c2C)CC1 2325789827 QGFJVUZFKMJNCD-UHFFFAOYSA-N 288.351 1.679 0 50 CDAA O=C(NC[C@@H]1CCOC1)c1n[nH]cc1-c1ccncc1 2325798080 LYDDTXXZSFWBJN-JTQLQIEISA-N 272.308 1.238 0 50 CDAA O=c1scnn1Cc1nc2ccc(F)cc2o1 135469375 QIHLBVUYPZVXOQ-UHFFFAOYSA-N 251.242 1.633 0 50 CDAA O=C(CNC(=O)c1ccccc1F)NCc1ccco1 85355 FNGYTSPLHTXEPV-UHFFFAOYSA-N 276.267 1.465 0 50 CDAA COC(=O)c1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1 127881 ASAYCBZOZLTZEN-NXEZZACHSA-N 267.306 1.261 0 50 CDAA O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccccc2)C1 241055 PSTFUXGUJCXCBA-TZMCWYRMSA-N 288.347 1.335 0 50 CDAA CCCCS[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)OC 2437641 DXQPXWBLZPXGEZ-IUCAKERBSA-N 281.399 1.041 0 50 CDAA Cc1nn(C[C@H](C)C(=O)O)c(C)c1Br 2534247 BZLIXBYMKOSUCJ-YFKPBYRVSA-N 261.119 1.983 0 50 CDAA Cc1cc(N2Cc3nnc(C(C)C)n3[C@@H](C)C2)nc(=N)[nH]1 2356158680 VCWAEEGCKFEHNZ-JTQLQIEISA-N 287.371 1.494 0 50 CDAA CCOc1ccc(S(=O)(=O)n2ccnc2)cc1C 2710270 SWHAXGZAJXQDSM-UHFFFAOYSA-N 266.322 1.827 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)n2cccn2)cc1 2747203 CLKXZZDDHFNZKW-UHFFFAOYSA-N 265.294 1.079 0 50 CDAA COc1ccc(CC(C(=O)O)C(=O)O)cc1OC 4025332 NQKOQSKMBSAXTD-UHFFFAOYSA-N 254.238 1.032 0 50 CDAA biogenic,in-vitro CN1CCN(NC(=S)Nc2ccccc2F)CC1 4724570 QYJXTJXDJLLMOZ-UHFFFAOYSA-N 268.361 1.275 0 50 CDAA CN(Cc1n[nH]c(=S)n1C)S(=O)(=O)c1ccccc1 6557166 YRPZOOJDSAEOIR-UHFFFAOYSA-N 298.393 1.298 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CCOc2ccccc21 111185659 PRVQQFOQNRHTGM-MWLCHTKSSA-N 263.293 1.484 0 50 CDAA CC(C)(C)[C@H]1NC(=O)N(CC(=O)Nc2ccccc2)C1=O 225556641 VZISIIIGCBJNII-LBPRGKRZSA-N 289.335 1.592 0 50 CDAA CC(C)c1noc([C@H](C)N2CCN(CC(C)(C)O)CC2)n1 225538899 IDQDTCPGXINBNN-LBPRGKRZSA-N 296.415 1.643 0 50 CDAA Cc1c(C)n(CCO)c2ncn3nc(-c4ccco4)nc3c12 9183768 IIYIAOKPWLQKHS-UHFFFAOYSA-N 297.318 1.948 0 50 CDAA Cc1cnn([C@H](C)CNC(=O)CN2CCCCCC2)c1 65527070 NOPXNWGCKMPUFG-CQSZACIVSA-N 278.400 1.745 0 50 CDAA Cc1cc(=O)[nH]c2ccc(S(=O)(=O)NC(C)C)cc12 65364753 HCCPLBYGJFVUQJ-UHFFFAOYSA-N 280.349 1.523 0 50 CDAA CCc1ncc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)cn1 65466117 GFLCQAVDHQDANO-CYBMUJFWSA-N 296.330 1.852 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CCOCC2)C[C@H]1CN 1535543712 PPSCAYOAFLKZMV-NSHDSACASA-N 270.373 1.751 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 34118526 JXNRULRHASYXOD-ZAZJYDDPSA-N 255.273 1.520 0 50 CDAA C[C@@H](NC(=O)c1cccs1)C(=O)N1CCCCC1 1075779 HDHCDMCMBJHINM-SNVBAGLBSA-N 266.366 1.879 0 50 CDAA CCc1noc([C@@H](C)N2CCC[C@@H](Cn3cncn3)C2)n1 229477303 UKXHRFQPZOQLCI-VXGBXAGGSA-N 290.371 1.697 0 50 CDAA CCc1nccn1CCC(=O)N(C)Cc1cccnc1 216137393 CFTAIPBYKGEIGT-UHFFFAOYSA-N 272.352 1.889 0 50 CDAA CCc1nccc(CN(C)CCN2CCCCC2=O)n1 215618353 ZWCPHOZLKJDYMJ-UHFFFAOYSA-N 276.384 1.483 0 50 CDAA COc1ccc(/C=C/C(=O)N(C)[C@H]2CCNC2)cc1F 328595872 HVRCAGYCUWIHJA-FUEXJSSKSA-N 278.327 1.668 0 50 CDAA O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1Sc1cnn[nH]1 428190222 ZDNODGUUCQZIHX-YIZRAAEISA-N 252.343 1.344 0 50 CDAA Cn1nccc1CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 282015483 KWOCVDHONTYPRV-KFWWJZLASA-N 291.395 1.505 0 50 CDAA C[C@@H]1CN(C(=O)CCOCC(F)(F)F)C[C@@H](C)N1 153798404 JPHOYBNFAWCLME-RKDXNWHRSA-N 268.279 1.164 0 50 CDAA O=C1CC[C@H](C(=O)Nc2ccc(N3CCCCC3)cn2)N1 128508593 XTOTVWACENMFIT-GFCCVEGCSA-N 288.351 1.289 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]12CCCNC2=O 72194174 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127047995 UDLURGNHEABZCS-CYBMUJFWSA-N 277.368 1.904 0 50 CDAA CN(C)C1(CNC(=O)CCc2ccncc2)CCOCC1 73132149 JYJQLMPPONMMKS-UHFFFAOYSA-N 291.395 1.241 0 50 CDAA CNC[C@@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 237263307 KRYSMZXVWCMFEI-ZDUSSCGKSA-N 299.378 1.339 0 50 CDAA CCc1cccc(NC(=O)CN2CCS(=O)CC2)c1 171700056 QVCPCNSGHJTQAW-UHFFFAOYSA-N 280.393 1.252 0 50 CDAA O=C(N1[C@H]2CC[C@H]1CC(CC(F)(F)F)C2)C1(O)COC1 1365065397 PICOMQFFFZLGIQ-UWVGGRQHSA-N 293.285 1.470 0 50 CDAA Cc1cc(C)c2c(c1)CN(C(=O)[C@]1(O)CCOC1)CC2 334600245 VJGFXSLIVOVIDF-INIZCTEOSA-N 275.348 1.340 0 50 CDAA CC[C@H](OC)C(=O)NCc1cccc(C(=O)NC)c1 49447914 GFYDNBKOMNNULP-LBPRGKRZSA-N 264.325 1.087 0 50 CDAA CCc1c(C(=O)NC2CN(C(C)C)C2)cnn1CC(C)C 457729358 WBYLVALQLZKERT-UHFFFAOYSA-N 292.427 1.924 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1c1cnc2ccccc2n1 284446304 CDFUYJUJXMGDDE-RYUDHWBXSA-N 273.336 1.870 0 50 CDAA O=C(c1cnco1)N1CCCC[C@@H]1CCn1cccn1 223728019 HUDWMQDLFXIRTO-GFCCVEGCSA-N 274.324 1.956 0 50 CDAA C[C@H]1COCC[C@H]1Nc1cccc(OCC(=O)N(C)C)c1 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92081599 LNRZZFKCHRBGLS-INIZCTEOSA-N 297.443 1.042 0 50 CDAA O=C(O)c1ccc(CNC(=O)N2CCSCC2)o1 94555702 JZXIWSZENCYUHI-UHFFFAOYSA-N 270.310 1.236 0 50 CDAA CCN(C)c1cc(N2C[C@H](C(C)C)[C@@H](N)C2)ncn1 91585716 YXFMHOUDVBOKHW-NEPJUHHUSA-N 263.389 1.352 0 50 CDAA COc1cccc(CN2CCOCCC2=O)c1OC 95524837 QUQJRDNDKNQZKC-UHFFFAOYSA-N 265.309 1.453 0 50 CDAA O=C([C@@H]1CCCCO1)N1CCN(c2ccncc2)CC1 97294880 SRFGMIGHZVUART-AWEZNQCLSA-N 275.352 1.299 0 50 CDAA COCCC[C@H]1CCCN(C(=O)CCc2nncn2C)C1 91381676 RNPKFQGRAIFEKG-CYBMUJFWSA-N 294.399 1.413 0 50 CDAA C[C@H]1C[C@@H](CO)CCN1C(=O)Cc1n[nH]c2ccccc12 291890605 KOLVFKNFTJTMEZ-RYUDHWBXSA-N 287.363 1.725 0 50 CDAA Cn1ccnc1-c1cn(CCOc2ccccc2)nn1 91410127 NXSITQWMLPYXQI-UHFFFAOYSA-N 269.308 1.758 0 50 CDAA C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)C=CC(=O)O1 254047107 KQNZDYYTLMIZCT-ZQNQSHIBSA-N 280.364 1.962 0 50 CDAA Cc1ncn(C)c1C(=O)N[C@H](C)C1CCN(C)CC1 534676208 CMKWLEFUQWHHNX-SNVBAGLBSA-N 264.373 1.189 0 50 CDAA Cc1cccnc1CC(=O)NCC1(N(C)C)CCCC1 534589484 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O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1C[C@H]1C(=O)O 218536494 NJHWOZQDGGYJMA-YNEHKIRRSA-N 259.305 1.975 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CSc2ccccc2O1 408513526 QTYWRODPLOYJDZ-GXSJLCMTSA-N 293.344 1.615 0 50 CDAA Cc1nccc(N2CCN([C@@H](C)c3cnccn3)CC2)n1 185450407 SKEOTVZBJLESGB-LBPRGKRZSA-N 284.367 1.458 0 50 CDAA Cc1cncc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)c1 276850063 ZKVMVDBWFOZQJY-CQSZACIVSA-N 299.378 1.252 0 50 CDAA COc1cccc(-c2cnc(Cn3ccnn3)o2)c1 170084320 XZXRWXFWDNDNLP-UHFFFAOYSA-N 256.265 1.990 0 50 CDAA Cn1c(S)nnc1CCNC(=O)CSC(C)(C)C 170623379 YJVJHWOHYUZBBL-UHFFFAOYSA-N 288.442 1.294 0 50 CDAA Cc1ccsc1CNC(=O)Cn1cc2c(n1)CCOC2 664049870 MJQOAUHCWABZQN-UHFFFAOYSA-N 291.376 1.642 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](CO)C2)n[nH]1 191859240 CDLMCZQECITJAJ-ZJUUUORDSA-N 251.330 1.234 0 50 CDAA Cc1nn(Cc2nc([C@H](C)OCC(C)C)no2)c(=O)s1 192456431 UDQATGAZTRIXMV-QMMMGPOBSA-N 298.368 1.778 0 50 CDAA N[C@H](C(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1ccccc1 648048397 YLGNQWAYCFVJBV-ILXRZTDVSA-N 290.363 1.093 0 50 CDAA O=C1CCN(C(=O)COC[C@H]2CCCO2)[C@@H](C2CC2)C1 585125512 VVNSLGPFJNNBBO-ZIAGYGMSSA-N 281.352 1.152 0 50 CDAA Cc1noc([C@H](C)N(C)C[C@@H]2CCn3ccnc3C2)n1 685576919 FPEZOCFSQQBDDB-CMPLNLGQSA-N 275.356 1.830 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2ccc3c(c2)CCOC3)C1 656490885 HEVOAUXOQFEMNK-ZDUSSCGKSA-N 289.331 1.696 0 50 CDAA Cc1cc(N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)ncn1 766441626 UTDFOLPCTLERPJ-UONOGXRCSA-N 287.367 1.611 0 50 CDAA CC1(C)CCC[C@@]1(CO)NC(=O)CCn1ccccc1=O 1615552195 SAEKEUIKRMJUKX-INIZCTEOSA-N 292.379 1.296 0 50 CDAA Cc1ncnc(N2CCSC[C@H]2c2cnn(C)c2)c1F 1615622392 NIFZZNYIVZEAQX-NSHDSACASA-N 293.371 1.952 0 50 CDAA CN1CCC[C@H](CN2CCC[C@@H](C(=O)NC3CC3)C2)C1 1615616104 VSSVJCGAIZPQGQ-UONOGXRCSA-N 279.428 1.319 0 50 CDAA CN(C)C[C@H]1CCN(CC(C)(C)CN2CCCC2)C[C@@H]1O 1615683228 LLZKAOCZBRXFEE-CVEARBPZSA-N 297.487 1.353 0 50 CDAA COCCN1CC[C@@H](C(=O)Nc2cnn(C(C)C)c2)C1 1506399319 DTDCOYRVPCHEEJ-GFCCVEGCSA-N 280.372 1.371 0 50 CDAA Cc1nc(N)nc(N2CCC(CCC(N)=O)CC2)c1Cl 1506425770 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1.345 0 50 CDAA CN(C)CCn1nccc1C(=O)NCc1cccs1 585135739 ZDZNZHBBVSBIQJ-UHFFFAOYSA-N 278.381 1.436 0 50 CDAA O=C(Cc1ccccc1OC1CCCC1)Nn1ccnn1 827854414 YSPAPUWLTIFRKK-UHFFFAOYSA-N 286.335 1.912 0 50 CDAA CCN(Cc1ccccc1C)C(=O)Nc1nnn(C)n1 932277563 JAHPQUIYTQDKKU-UHFFFAOYSA-N 274.328 1.573 0 50 CDAA CC[C@H](OC(=O)Cc1ccc(O)c(Cl)c1)C(N)=O 869736111 BFPVNXHQJOCIDJ-JTQLQIEISA-N 271.700 1.395 0 50 CDAA Cc1ncsc1CN(C)[C@@H]1C(=O)CC[C@]1(C)O 952880118 JCUFZCYBNSBTRC-NEPJUHHUSA-N 254.355 1.366 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H]1CCCO[C@H]1c1ccncc1 1875377082 RUYNDQUQWMXARW-JIVAZCRISA-N 289.379 1.536 0 50 CDAA Cc1ncsc1CCCNC(=O)/C=C/CN(C)C 1875376642 DUMWIUCKTIVNIY-FNORWQNLSA-N 267.398 1.618 0 50 CDAA CCNCCNC(=O)c1cc(-c2ccccc2O)[nH]n1 888095983 NIHJYLDLIKRJPU-UHFFFAOYSA-N 274.324 1.122 0 50 CDAA Cc1nnc(CN(C)CCn2ccnc2C)s1 299758086 AXMJPJYEKABDFI-UHFFFAOYSA-N 251.359 1.483 0 50 CDAA CN(Cc1nccs1)c1ncc2c(ncn2C)n1 2100544674 DWXGSVPVOQTFCM-UHFFFAOYSA-N 260.326 1.456 0 50 CDAA Cc1c(C=O)c(=O)[nH]c(=O)n1C1CCCCCCC1 334642 HJYNCQVWIIKHSG-UHFFFAOYSA-N 264.325 1.943 0 50 CDAA O=C(OCC(=O)N1CCC1)c1cc2c(F)ccc(F)c2[nH]1 2325740179 DIFWKWFRGKBCAT-UHFFFAOYSA-N 294.257 1.835 0 50 CDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCc1cccnc1 53308 XOLCGPJCJZCOSE-VXGBXAGGSA-N 262.309 1.589 0 50 CDAA Cc1nc2sc(-c3ccccc3)cc2c(=O)n1CC(N)=O 98338 KHPXMYKXAAXYJW-UHFFFAOYSA-N 299.355 1.919 0 50 CDAA C[C@H]1CN(C(=S)NC(=O)c2cccs2)C[C@H](C)O1 194588 KKLCRNZQVJLHGP-IUCAKERBSA-N 284.406 1.872 0 50 CDAA CC(=O)Nc1cc(N2C(=O)C=CC2=O)ccc1Cl 451796 OSBXYPDRDBICGL-UHFFFAOYSA-N 264.668 1.728 0 50 CDAA C[C@@H](C(=O)O)N1c2cccc3cccc(c23)S1(=O)=O 582119 RFVSPOCLSZNBDH-QMMMGPOBSA-N 277.301 1.822 0 50 CDAA Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2O)cc1 1721694 RSYUFYQTACJFML-UKRRQHHQSA-N 274.272 1.841 0 50 CDAA endogenous,in-man Cc1cccc(OC[C@@H](O)CNC(C)(C)CO)c1C 2851459 AOEIEHYJEGXZOI-ZDUSSCGKSA-N 267.369 1.404 0 50 CDAA CCCCc1nnc(NC(=O)[C@H]2CCCO2)s1 2879303 WDKPHVLHTYPRCA-MRVPVSSYSA-N 255.343 1.998 0 50 CDAA 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HLXDEXWXUULCPP-UHFFFAOYSA-N 265.070 1.746 0 50 CDAA CNc1ccnc(N(C)CCC[C@@H]2CCCO2)n1 65374750 YMIXLMUMUMAJOS-LLVKDONJSA-N 250.346 1.914 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@H]1C(=O)O 36974841 HUWZMACKZFCRJS-ZDUSSCGKSA-N 293.367 1.435 0 50 CDAA Cc1nc(N(C)C)nc(NC[C@H](O)CN2CCCC2)c1C 65394958 WCBQQLDMCXAESW-ZDUSSCGKSA-N 293.415 1.028 0 50 CDAA COC(=O)c1cc(CN2CCn3ccnc3C2)c[nH]1 353008984 PJRCHZZQTCYTKN-UHFFFAOYSA-N 260.297 1.014 0 50 CDAA CCc1sc(C(=O)NCc2ncn(C)n2)cc1C 120679929 DZPIRBQBMFLRFX-UHFFFAOYSA-N 264.354 1.677 0 50 CDAA Cc1cccc(NC(=O)NCCCNC(=O)C2CCC2)n1 122148208 SYMDTTKGQZUTDM-UHFFFAOYSA-N 290.367 1.818 0 50 CDAA C[C@@H](CN1CCOCC1)N(C)C[C@@H]1CCc2nccn2C1 328645668 SGJLICANBTWKAK-GJZGRUSLSA-N 292.427 1.098 0 50 CDAA CC(=O)c1ccc2c(c1)CCN(C(=O)C(C)(C)O)CC2 253433315 VNYKMWNOAWGOOD-UHFFFAOYSA-N 275.348 1.587 0 50 CDAA Cc1cc(S(=O)(=O)NCCO)ccc1Br 35610774 SOHUFPRZYHGOJP-UHFFFAOYSA-N 294.170 1.028 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccncc1Cl 219275296 ORUMOZJGYTWXCW-GHMZBOCLSA-N 270.716 1.269 0 50 CDAA O=S(=O)(c1ccc2ccccc2c1)N1CCNCC1 34781218 OJWPAXRMRPPQBG-UHFFFAOYSA-N 276.361 1.434 0 50 CDAA Cc1cc(O)ncc1C(=O)N1CCC[C@@H]1c1cc[nH]n1 336470350 OGGDBCMGLSPYQA-GFCCVEGCSA-N 272.308 1.796 0 50 CDAA CN1CCC[C@H](CN(C)CC(C)(C)CN2CCOCC2)C1 32558363 IRLTZKCWYYDQOV-INIZCTEOSA-N 297.487 1.618 0 50 CDAA Nc1nc(N2CCC[C@H](c3ncc[nH]3)C2)c2cn[nH]c2n1 77379446 RNGGUHGORYFERS-QMMMGPOBSA-N 284.327 1.042 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1OCCc2ccccc21 369287795 KSYQOZJFLPRCJE-MRXNPFEDSA-N 299.374 1.999 0 50 CDAA O=C(N=c1nc(-c2ccccc2)[nH]o1)N1C[C@H]2CC[C@H]1CN2 333339312 XQNHYARNCRJRTD-NEPJUHHUSA-N 299.334 1.127 0 50 CDAA CC1(C)CC(C(=O)N2CCN[C@@H](c3ccncc3)C2)C1 336632183 VFPDYKQYNFEIGB-CQSZACIVSA-N 273.380 1.991 0 50 CDAA CN(C)[C@@H]1[C@@H](NC(=O)CC2=CCCC2)[C@H]2CCO[C@H]21 219509032 KKSRYDLAEUDZIJ-FAAHXZRKSA-N 264.369 1.321 0 50 CDAA CN(CC(=O)O)C(=O)c1nn(-c2ccccc2)c2c1CCC2 237182231 ORIBOKADKSRTJD-UHFFFAOYSA-N 299.330 1.518 0 50 CDAA CCN1CCC[C@H]1CNC(=O)c1nn[nH]c1-c1ccccc1 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1875251079 LHOBJEFLTILEQT-UHFFFAOYSA-N 292.364 1.581 0 50 CDAA O=C(NC1(C(=O)O)CCC1)c1cccc2nccnc12 228271726 VIIOCDDRHBZULO-UHFFFAOYSA-N 271.276 1.367 0 50 CDAA CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4763161 FHUFGHYKLWTDAP-STQMWFEESA-N 278.352 1.316 0 50 CDAA CCCn1cnc(NS(=O)(=O)c2cc(C)ns2)c1 1875280169 YCMKPOPMERKIHG-UHFFFAOYSA-N 286.382 1.859 0 50 CDAA CN(C)[C@H](C(=O)NCCCCO)c1ccc(Cl)cc1 568210057 MZUSMDUWGPYSHJ-ZDUSSCGKSA-N 284.787 1.831 0 50 CDAA Cc1nc(C)c(C(=O)Nc2nnc3n2CCCC3)s1 162466252 SGSQIDMJOMTCPC-UHFFFAOYSA-N 277.353 1.940 0 50 CDAA CC[C@@]12C[C@@H]1CN(C(=O)c1nnc3n1CCCCC3)C2 1772804371 NMKSYDRPXCXSTB-ABAIWWIYSA-N 274.368 1.877 0 50 CDAA O=C(NCc1ccncc1)C(=O)NC1CCCCCC1 5043645 KQJKPXCKQDQBIE-UHFFFAOYSA-N 275.352 1.537 0 50 CDAA O=C(COc1ccc(Br)cc1)Nc1nnc[nH]1 5731141 IZDJUHZKYTXBIS-UHFFFAOYSA-N 297.112 1.585 0 50 CDAA OCCOc1ccc(CNC[C@H]2CCCO2)cc1 13731002 XUNRLURNFSLDIN-CQSZACIVSA-N 251.326 1.326 0 50 CDAA CC(C)(C)CN1CCC[C@@](O)(CN2CCCC2)C1=O 15071231 AEAUGOZHAUSKGR-OAHLLOKOSA-N 268.401 1.482 0 50 CDAA O=C1C[C@H](NCc2ccco2)C(=O)N1c1ccc(F)cc1 19595367 ODDXKFQPDGNTNG-ZDUSSCGKSA-N 288.278 1.840 0 50 CDAA CN1CCN(Cc2cccc3cccnc23)C[C@@H]1CCO 19812368 YIIJCUAWVOISBX-INIZCTEOSA-N 285.391 1.733 0 50 CDAA CCc1ccc(-c2nccn2Cc2nc(O)n[nH]2)nc1 1857671069 LOLOZVZCWSVANQ-UHFFFAOYSA-N 270.296 1.380 0 50 CDAA O=C(NCc1cnc2c(c1)CNCC2)c1cscn1 1857703425 LPWRNBCNCRDNBT-UHFFFAOYSA-N 274.349 1.114 0 50 CDAA CO[C@@H](C)C(=O)N1CCC(c2nncn2C2CC2)CC1 600250726 HTQYVFPDBPWQKY-JTQLQIEISA-N 278.356 1.354 0 50 CDAA CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccon2)cn1 328620242 GVKBADLPNZRGTQ-WCQYABFASA-N 290.323 1.541 0 50 CDAA C[C@H](CCN(C)C)NC(=O)[C@H]1C[C@H]1c1cccnc1 248221927 IBMRYCFZFPEFMZ-XBFCOCLRSA-N 261.369 1.642 0 50 CDAA Cc1nc(CC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n[nH]1 669354474 KAFFKGUMSTZBGD-BMIGLBTASA-N 270.336 1.875 0 50 CDAA C[C@@](O)(CNC(=O)NCc1noc2ccccc12)C1CC1 566435211 OUGJUHBIXDAWQM-OAHLLOKOSA-N 289.335 1.788 0 50 CDAA CCc1nsc(N2CCN(C(=O)c3ccoc3)CC2)n1 266292058 FZPOZBLWCGVFPR-UHFFFAOYSA-N 292.364 1.656 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)[C@H]1CC12CCOCC2 128614414 SGYHZWIRWFRIDG-GHMZBOCLSA-N 267.325 1.269 0 50 CDAA CC1(S(=O)(=O)NCc2cccc3nsnc23)CC1 952993239 FNHHJBHMHZBZTA-UHFFFAOYSA-N 283.378 1.663 0 50 CDAA COc1ccc(N2C(=O)N[C@@]3(CC[C@H](C)C3)C2=O)nn1 1875283007 BDGGXHXIABHTOC-ISVAXAHUSA-N 276.296 1.100 0 50 CDAA CCc1cc(NC(=O)[C@@H]2CCOC2)sc1C(=O)O 1875292056 UZTKKSOJHGMHAZ-MRVPVSSYSA-N 269.322 1.984 0 50 CDAA Oc1nc(O)c2c(n1)CN(Cc1cnc(C3CC3)o1)C2 1875299559 ORWUBHUUSXEXIZ-UHFFFAOYSA-N 274.280 1.269 0 50 CDAA CC(C)(CO)[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[C@H]1C[C@@H]21 1875298295 WBQOSZNEVMSLIO-FOGDFJRCSA-N 289.379 1.692 0 50 CDAA O=C(NO[C@@H]1CCOC1)[C@H]1C[C@H](c2ccccc2)CO1 1875269751 CSQCHQQCHVFKPV-BFHYXJOUSA-N 277.320 1.396 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)c1cnc2[nH]ncc2c1 1875276999 VMPUDRJUCQVCPI-JOYOIKCWSA-N 273.340 1.300 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCOCC1(CC)CC 1875367838 RBLPUTQJIJMMNK-UHFFFAOYSA-N 282.384 1.439 0 50 CDAA O=C(N=c1cc(-c2cccc3c2OCC3)[nH][nH]1)C1CC1 1875329340 RHHXOLNVDWNCLU-UHFFFAOYSA-N 269.304 1.782 0 50 CDAA O[C@@H]1C[C@H](Cn2cccn2)C[C@H]1NCc1cc[nH]c1 1875399965 NJCOORAPCPSKNG-MGPQQGTHSA-N 260.341 1.141 0 50 CDAA CC[C@H](C)C(=O)NS(=O)(=O)c1ccc(C)nc1Cl 1875382533 FNFUKMXDWVWFMG-ZETCQYMHSA-N 290.772 1.894 0 50 CDAA Cn1ncc([C@@H]2NC(=O)c3cc(Cl)ccc3N2)n1 877850258 KYVNTVYHCJNZDR-JTQLQIEISA-N 263.688 1.323 0 50 CDAA O=C1OCCN1Cc1cn(Cc2ccsc2Cl)nn1 881309667 BJWBTQIGKKMGFR-UHFFFAOYSA-N 298.755 1.994 0 50 CDAA CC(C)[C@](C)(O)CNC(=O)c1ccc(C(=O)O)cc1 236692215 ACMXUVHMNHUNOW-CQSZACIVSA-N 265.309 1.522 0 50 CDAA CC[C@H]1CN(C(=O)NCc2cc(OC)no2)C[C@@H](C)O1 888097329 FFCIWKYMPJOTTA-ZJUUUORDSA-N 283.328 1.392 0 50 CDAA CC(C)(C)O[C@@H]1C[C@H](NC(=O)C2=NNC(=O)C2)C12CCC2 1775994837 LKYCCPLQWRNUHA-WDEREUQCSA-N 293.367 1.105 0 50 CDAA COc1cccc(N2N=C(C3CCOCC3)CC2=O)n1 899352058 YTBSTMSQSJCZIQ-UHFFFAOYSA-N 275.308 1.610 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCOC1 250939246 YYRCFWJUYMNIDR-RVMXOQNASA-N 281.352 1.657 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)[C@@H]2CC23CC3)cn1 263207635 NDEMMXTWMIVBLN-VIFPVBQESA-N 263.297 1.441 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(Cl)cc2F)C1 311771745 GORDFGAHFZMXAT-UWVGGRQHSA-N 287.718 1.701 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)Cc2c(F)cccc2F)C1 312600953 YGKBXSAWOQEXFC-UWVGGRQHSA-N 285.290 1.116 0 50 CDAA O=C(c1cncc(F)c1)N(C[C@H]1CCCN1)C1CC1 328654656 XOVRJKIHVIKZEI-GFCCVEGCSA-N 263.316 1.577 0 50 CDAA CCc1noc(CN(C)Cc2cnc(N)s2)n1 670458888 MCNOYUXYLJHHAF-UHFFFAOYSA-N 253.331 1.303 0 50 CDAA CCc1cc(O)nc(CN2CCO[C@@H](C3CC3)C2)n1 364401987 WOWTXXHBTRYJDQ-GFCCVEGCSA-N 263.341 1.355 0 50 CDAA O=C(c1ccc2nc[nH]c2c1)N1CC[C@H](C2OCCO2)C1 900463343 UDVRGWJNYXVAMU-NSHDSACASA-N 287.319 1.398 0 50 CDAA Cn1c(NCC2(S(N)(=O)=O)CCC2)nc2ccccc21 721596413 CNWBOZLMXPFQCK-UHFFFAOYSA-N 294.380 1.196 0 50 CDAA Cc1nc(C(=O)N[C@H](c2ccncc2)C2CC2)c(=O)[nH]c1C 890914200 UHZGSSUCYGBOEI-ZDUSSCGKSA-N 298.346 1.663 0 50 CDAA NS(=O)(=O)c1c(Cl)cc(F)cc1Br 36533113 YJQIWWMPGTYXSX-UHFFFAOYSA-N 288.525 1.889 0 50 CDAA O=C(c1cc(F)c(Cl)nc1Cl)N1CCOCC1 166932 BLOYASGEDJPMSI-UHFFFAOYSA-N 279.098 2.000 0 50 CDAA O=C(NC(=S)N[C@@H]1CCSC1=O)c1cccs1 458965 KMUQMBYWQNEAGY-ZCFIWIBFSA-N 286.403 1.385 0 50 CDAA Nc1nncn1C(=O)c1cc(Cl)ccc1Cl 472291 UETNLXQCMUOYCI-UHFFFAOYSA-N 257.080 1.856 0 50 CDAA CC(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 1193291 KBIYZUQDVPCCPL-LBPRGKRZSA-N 251.307 1.350 0 50 CDAA O=C1N[C@H](Cc2ccccc2)C(=O)Nc2ccccc21 1420787 IOYQGXYNQRRATP-CQSZACIVSA-N 266.300 1.980 0 50 CDAA biogenic C[C@]1(C(=O)N=c2cc(-c3ccco3)[nH][nH]2)CCC(=O)O1 2356143809 XHTNCDSWTMWGEM-CYBMUJFWSA-N 275.264 1.126 0 50 CDAA CN(C)CCCNC(=O)c1ccc(Br)o1 2771503 KFFOHUPHWXZKGQ-UHFFFAOYSA-N 275.146 1.724 0 50 CDAA CCN(CC)C(=O)C(=O)Nc1ccc(OC)cc1OC 2840439 HQIKUOCTBIMATB-UHFFFAOYSA-N 280.324 1.511 0 50 CDAA COCCCNC(=S)NC(=O)c1ccc(Cl)cc1 2910402 PHVUUIVHQUVXJH-UHFFFAOYSA-N 286.784 1.981 0 50 CDAA Cc1cccc(N2C(=O)C[C@H](N3CCCC3)C2=O)c1 3157307 WJRLKLPCDNJTMY-ZDUSSCGKSA-N 258.321 1.723 0 50 CDAA Cn1nnnc1SCCCNCc1ccccc1 7540460 RRYRZZFSRVXERH-UHFFFAOYSA-N 263.370 1.482 0 50 CDAA COC(=O)c1c(C)n(O)c2ccc(Cl)cc2c1=O 8816118 UPZVAXYZCROIBH-UHFFFAOYSA-N 267.668 1.987 0 50 CDAA COC(=O)N1CCC(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 225621328 OEDQTDPOMDPALY-MGPQQGTHSA-N 294.395 1.764 0 50 CDAA CCN1CCC[C@H]1CNC(=O)Cn1c(C)ccc1C 170622902 VJAZXWAPERFILZ-AWEZNQCLSA-N 263.385 1.705 0 50 CDAA O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)[C@H]1CCNC1 246498668 PSAYWRPQHXMARL-RRFJBIMHSA-N 274.364 1.632 0 50 CDAA O=C(c1nc(CCc2ccccc2)n[nH]1)N1CCOCC1 67695196 PKUWPRZNVZIXGV-UHFFFAOYSA-N 286.335 1.062 0 50 CDAA Cn1ccnc1CN(Cc1ccc(CO)o1)C1CC1 65384278 LMUNQBPRQFIGOL-UHFFFAOYSA-N 261.325 1.670 0 50 CDAA COCc1cc(CNC(=O)c2cccc3c2OCC3)n[nH]1 67954948 TYLJIKDTTUWZNJ-UHFFFAOYSA-N 287.319 1.421 0 50 CDAA O=C(CO)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 67919594 VLZRMOIADAGNPR-UHFFFAOYSA-N 294.257 1.497 0 50 CDAA COC[C@H]1CCCN(C(=O)NCc2cccnc2)C1 112991336 IGHUQKMSYKPALP-ZDUSSCGKSA-N 263.341 1.650 0 50 CDAA COCc1cc(CN2CCN(C)C(=O)[C@H]2C)ccc1OC 65528630 VPVTVTBLMDIGJA-GFCCVEGCSA-N 292.379 1.504 0 50 CDAA O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1F 118942066 AIHOOIBPWORWFQ-QMMMGPOBSA-N 296.729 1.972 0 50 CDAA O=C(Nc1cnc2n1CCCC2)[C@H]1CC12CCNCC2 67654569 WPASLITXQFWLTB-LLVKDONJSA-N 274.368 1.548 0 50 CDAA Cn1cc(Cl)cc1C(=O)NC[C@H]1CCn2ccnc2C1 328636990 VVQYKVNPPINNMK-JTQLQIEISA-N 292.770 1.867 0 50 CDAA Cc1nc([C@H](C)NC[C@]2(O)CCCN3CCCC[C@@H]32)n[nH]1 63884844 JAFYYKKDPZOQEN-NJZAAPMLSA-N 293.415 1.143 0 50 CDAA COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1cnccn1 252495375 OPBINDSJLHKWKA-GFCCVEGCSA-N 299.330 1.681 0 50 CDAA O=C(Cc1ccc(O)c(Cl)c1)N1CCOC[C@H](CO)C1 77427488 LQPDBNXHGCSOMD-NSHDSACASA-N 299.754 1.055 0 50 CDAA CN1CCO[C@@H](CN(CC(=N)O)Cc2cccs2)C1 328598102 UFPFGDKOBUCYEU-LLVKDONJSA-N 283.397 1.416 0 50 CDAA CCOC(=O)[C@H](C)N1C[C@@H](C)[C@](C)(C(=O)OC)C1 328586566 GAURBUIEJUBMLM-GBIKHYSHSA-N 257.330 1.069 0 50 CDAA NC(=O)CCCCNC(=O)c1ccoc1C1CC1 253395569 NAWBCGXDTIAUGC-UHFFFAOYSA-N 250.298 1.542 0 50 CDAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC2)[nH]n1 125868803 WMTLBNGIVPFNBD-UHFFFAOYSA-N 273.340 1.663 0 50 CDAA COc1ccc([C@H](CN(C)C)NCc2cnnn2C)cc1 253416410 APVWDOHFFPDSSY-HNNXBMFYSA-N 289.383 1.216 0 50 CDAA CN(C[C@H]1CCCOC1)C(=O)c1ncn(C(C)(C)C)n1 360175859 OMROOCPEBLONDU-LLVKDONJSA-N 280.372 1.532 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)c1cnc(C)[nH]c1=O 219600773 JUZKBEJNNSXQRF-LLVKDONJSA-N 279.340 1.110 0 50 CDAA CO[C@@H]1CCCN(C(=O)NCCc2cccnc2)C1 171235413 KSQLKMFNKSUUOC-CYBMUJFWSA-N 263.341 1.445 0 50 CDAA CNC(=O)[C@@H](NC(=O)CSCC1CC1)c1ccccc1 126118920 RLIAKHDNBNKCCA-AWEZNQCLSA-N 292.404 1.733 0 50 CDAA Cc1c([C@@H](C)NC(=O)N2CCCO[C@H](C)C2)cnn1C 171310750 WTZKYGURKKWQFW-GHMZBOCLSA-N 280.372 1.610 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@@H]1CCCn2ncnc21 375601090 WWHDCWZTQMWRQW-LNFKQOIKSA-N 264.329 1.043 0 50 CDAA COC(=O)[C@H]1CCCN(C(=O)NC[C@H]2CC=CCC2)C1 157862869 MMQPLULLCAURAK-STQMWFEESA-N 280.368 1.937 0 50 CDAA COc1cc(N2CCC[C@@H](N3CCCC3=O)C2)ncn1 71748764 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CHMFNGSTWQEOME-LLVKDONJSA-N 277.303 1.405 0 50 CDAA COc1nc(C)nc(N2CC[C@@H]3OCCN(C)[C@H]3C2)c1C 285096075 QIRNPSMFKOCYHH-STQMWFEESA-N 292.383 1.011 0 50 CDAA CCCNC(=O)C1CCN(C(=O)N(CC)CC)CC1 42381527 BJKQYIAMCUTXGX-UHFFFAOYSA-N 269.389 1.686 0 50 CDAA Cc1cnc(N(C)C[C@@H]2CCCO2)nc1-c1cnn(C)c1 82039305 OJQZITIANHRCJK-ZDUSSCGKSA-N 287.367 1.801 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CCNCC1 426641365 LKXQPHITSXCYAB-UHFFFAOYSA-N 260.263 1.209 0 50 CDAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H]2CCS(=O)(=O)C2)C1(C)C 238882155 CNDBOMRJJZDACE-TUAOUCFPSA-N 285.409 1.528 0 50 CDAA CCCCn1nc(CCOC)nc1C1(C)CCNCC1 96149849 RFEBJJREIOAFCJ-UHFFFAOYSA-N 280.416 1.908 0 50 CDAA CCC(=O)N[C@H](C)c1ncnn1-c1ccccc1F 91943904 JODYJMCJFRONCP-SECBINFHSA-N 262.288 1.994 0 50 CDAA CC1(C)CNC(=O)c2nc([C@@H]3CCCCO3)[nH]c2C1 95363994 VHZIOSOWSKZGMD-JTQLQIEISA-N 263.341 1.963 0 50 CDAA O=c1cc(Cn2cc(COCc3ccccc3)nn2)nc[nH]1 91289341 ZYTKEPVGCRHCHZ-UHFFFAOYSA-N 297.318 1.127 0 50 CDAA CCC[C@H]1C=CCN1C(=O)c1cnc2ccccn2c1=O 97757920 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CC(=O)OC[C@H]1[C@H]2[C@H]3[C@H]4[C@H]([C@H]1COC(C)=O)[C@@H]1[C@H]4[C@H]3[C@@H]21 253494507 XTXBQHXJXASLQQ-KNDOPXDZSA-N 276.332 1.343 0 50 CDAA CO[C@@H](C)C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 299655310 KIBKISDWYIIDFB-JSGCOSHPSA-N 278.352 1.624 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CCO[C@H](C(=O)O)C1 299749280 JUOSNCBBCWPFEC-NSHDSACASA-N 297.282 1.150 0 50 CDAA COc1coc(CN2CCC3(CCNCC3)C2)cc1=O 358509022 PRGQPBGKCLPOBQ-UHFFFAOYSA-N 278.352 1.224 0 50 CDAA C[C@]1(CO)CCCN1C(=O)c1ccc(Cn2cccn2)cc1 544774213 NALQYSMLJIBQPU-QGZVFWFLSA-N 299.374 1.918 0 50 CDAA Cc1cnn([C@@H](C)CNC(=O)Cc2c(C)n[nH]c2C)c1 534581123 XASWNBCOCUADEO-JTQLQIEISA-N 275.356 1.451 0 50 CDAA Cc1ccccc1[C@H](CNC(=O)N1CCOCC1)N(C)C 534639243 GRRFLNZHWSTIKJ-HNNXBMFYSA-N 291.395 1.640 0 50 CDAA CN1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 263587495 HMOUGSDBORRCMY-UHFFFAOYSA-N 291.395 1.158 0 50 CDAA CC(C)[C@@H](NS(=O)(=O)C1CC1)c1nccn1C 534584949 VRGCYQVHBDQNOI-SNVBAGLBSA-N 257.359 1.199 0 50 CDAA CNC(=O)c1ccccc1C[C@@H]1CC(=O)N(CCOC)C1 299756747 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274.324 1.255 0 50 CDAA Cc1cnc(NCC2(CS(C)(=O)=O)CC2)nc1C 270768082 KZDDHLHXDCQJNR-UHFFFAOYSA-N 269.370 1.330 0 50 CDAA CC[C@H](C)N1CC(=O)N([C@H]2CCCn3nccc32)C1=O 630999326 WHEVMHZKMSPRHA-JQWIXIFHSA-N 276.340 1.781 0 50 CDAA CN(Cc1ccco1)C(=O)c1cn(C)nc1[C@H]1CCOC1 275210495 AKQLENZPZDYPBC-NSHDSACASA-N 289.335 1.789 0 50 CDAA O=C(Cc1ccoc1)N[C@@H]1CCCN(c2cccnn2)C1 186581904 KECKBFVJGHFWKI-CYBMUJFWSA-N 286.335 1.397 0 50 CDAA CC(=O)c1nccn1CC(=O)N[C@H](C)c1ccccc1 170619691 VPWVNSJRJSRNRH-LLVKDONJSA-N 271.320 1.963 0 50 CDAA CO[C@@H](C)[C@H](C)NC(=O)N[C@H]1CCN(CC2CCCC2)C1 188207504 BFIVBXCDDGYCJB-YDHLFZDLSA-N 297.443 1.974 0 50 CDAA C[C@@H]1CCN(Cc2cccc(S(C)(=O)=O)c2)[C@H](CO)C1 639938436 XRBXVAMFAITDQC-OCCSQVGLSA-N 297.420 1.683 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)Nc2cnns2)n[nH]1 192356009 WTNOLQUZZLGNDO-LURJTMIESA-N 266.330 1.322 0 50 CDAA CC[C@@H](CO)NC(=O)N[C@@H](C)c1c(C)noc1C 195571538 JUZPLQILWDAKQY-XVKPBYJWSA-N 255.318 1.423 0 50 CDAA Cc1cnccc1CCNCC(C)(C)N1CCOCC1 583651595 PCQMZRUSYOGGEL-UHFFFAOYSA-N 277.412 1.633 0 50 CDAA Cn1[nH]cc2/c(=N\C(=O)[C@H]3C[C@@H]3c3cccnc3)ccnc1-2 585080475 YIJLGFOFHKSTDL-YDGRJCAWSA-N 293.330 1.479 0 50 CDAA COC(=O)N[C@H](C(=O)Nc1cnn2ccccc12)C(C)C 585126381 XSGUDECUPVBYKH-LBPRGKRZSA-N 290.323 1.653 0 50 CDAA CN1CCC[C@H](N[C@@H]2CCCc3c(O)cccc32)C1=O 569777437 DSQDODDCQJCUAM-KGLIPLIRSA-N 274.364 1.980 0 50 CDAA CO[C@@H](C(=O)Nc1ccc(C(=O)O)c(C)c1)[C@H]1CCOC1 659135407 PKWDPERWKDQGRE-GXFFZTMASA-N 293.319 1.683 0 50 CDAA O=C(Cc1ccc(F)cc1)N1CC[C@@H]2CCNC[C@@H]2C1 1875273996 SWNYBMDHDHPDPF-UONOGXRCSA-N 276.355 1.826 0 50 CDAA O=C(O)[C@H]1Cc2cc(F)ccc2N(C(=O)C2CC2)C1 1615055878 FANSDFCHWAELRY-JTQLQIEISA-N 263.268 1.826 0 50 CDAA Cc1nsc(NCCNc2cccc(F)n2)n1 1615585573 JHJWVMNAQMGFDJ-UHFFFAOYSA-N 253.306 1.905 0 50 CDAA Cc1nn(CC(=O)N[C@]23CCC[C@@H]2NCC3)c2ncccc12 1615549206 VQBBAFPUHJTHNS-BBRMVZONSA-N 299.378 1.141 0 50 CDAA COc1ccc(F)cc1CCNC(=O)[C@]12CC[C@H]1CNC2 1615544711 CKJJTLSPZPPBTC-LRDDRELGSA-N 292.354 1.493 0 50 CDAA CN(Cc1csc(C(C)(C)O)n1)C(=O)C1(C)COC1 1615590407 MBVLWUNLOUUIDD-UHFFFAOYSA-N 284.381 1.365 0 50 CDAA O=C(c1nnc2ccccc2n1)N1CCOCC12CC2 1646645163 ZYJKSKSKGLCTBB-UHFFFAOYSA-N 270.292 1.030 0 50 CDAA O=C(CCOc1ccccc1)N1CCC[C@@H]1C1(O)CC1 1772813949 CGIXNISDGNVXCB-CQSZACIVSA-N 275.348 1.971 0 50 CDAA O=C(CCc1ccncc1)N1CCC[C@H](C2(O)CC2)C1 1772806053 YCRZEYXOLKGEMO-AWEZNQCLSA-N 274.364 1.778 0 50 CDAA CN1CCC(n2nccc2NC(=O)c2cscn2)CC1 1506419928 MHGCEALJQXKEAR-UHFFFAOYSA-N 291.380 1.859 0 50 CDAA COC(=O)C(=Cc1cc(OC)cc(OC)c1)C(=O)OC 2167445 FEYLTWLRUSIXJR-UHFFFAOYSA-N 280.276 1.433 0 50 CDAA C[C@@H](NC(=O)Cn1nc2ccccc2n1)C(F)(F)F 1857699107 IAUGPPNXAJPIIZ-SSDOTTSWSA-N 272.230 1.498 0 50 CDAA O=C1C[C@H]2CN(c3ncnc4sccc34)C[C@H]2N1 1857702694 HGWKDNSBMQJUMC-IONNQARKSA-N 260.322 1.016 0 50 CDAA Cc1nsnc1C(=O)N1CCC(C2(O)CC2)CC1 1857705379 FJHSGAIZUQSPKV-UHFFFAOYSA-N 267.354 1.224 0 50 CDAA Cn1cc(CN2CCCC[C@H]2CN2CCOCC2)cn1 111301803 WXIDHDUXOOOSRF-HNNXBMFYSA-N 278.400 1.107 0 50 CDAA C[C@H]1CNCC[C@H]1NS(=O)(=O)CCCC(F)(F)F 213713461 YEFVIVWDBCDPHF-DTWKUNHWSA-N 288.335 1.246 0 50 CDAA CNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(C)c2)C1 226717721 VYAJEDZLYDHKFF-LBPRGKRZSA-N 276.336 1.299 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(c3nccnc3N(C)C)C[C@@H]21 1704307499 HZKIJTUHDJDNSD-DVOMOZLQSA-N 290.411 1.920 0 50 CDAA CCN(CC)CCCNc1nnc(CN(C)C)o1 1772708737 JDDILGNPNZEBAH-UHFFFAOYSA-N 255.366 1.275 0 50 CDAA COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1=O 5559767 IVBZCMSOGWPACW-DGCLKSJQSA-N 261.321 1.497 0 50 CDAA CC(C)NC(=O)[C@H]1CCCN(C2CCN(C)CC2)C1 12205937 PEXVNUNEIOBZQA-ZDUSSCGKSA-N 267.417 1.317 0 50 CDAA CN(C)CC[C@@H]1CN(C(=O)c2ccsc2)CCO1 12207580 CBWSOINBVYXJSS-GFCCVEGCSA-N 268.382 1.541 0 50 CDAA Cc1cn2nc(C(=O)NCc3ccccc3)cc2c(=O)[nH]1 169768566 WWGHRWQJCNUZRC-UHFFFAOYSA-N 282.303 1.261 0 50 CDAA CN(CCc1cnn(C)c1)[C@@H]1CCOC2(CCNCC2)C1 1857677693 MUTSGBPJCNXPNZ-OAHLLOKOSA-N 292.427 1.196 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 51687 IPSYRXPRMAIAKO-UHFFFAOYSA-N 291.328 1.863 0 50 CDAA in-vitro CC(C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O 4302164 XVSZLKIPUMTCOW-LBPRGKRZSA-N 294.307 1.689 0 50 CDAA CCOc1cccc(C(=O)N2CC[C@H](C(=O)O)C2)c1 236912521 UQGBLMWHCBDKLK-NSHDSACASA-N 263.293 1.632 0 50 CDAA COc1cccnc1CNC(=O)[C@@H]1COc2ccccc2C1 456891045 WWXHGHVMJHCXLK-ZDUSSCGKSA-N 298.342 1.958 0 50 CDAA COC[C@]1(C(=O)O)CCN(C(=O)c2ccc(F)cc2C)C1 261673681 LPOWQTIHVLIRAQ-HNNXBMFYSA-N 295.310 1.697 0 50 CDAA Cc1cc([C@H]2CN(Cc3cnn(C)n3)CCO2)ccc1F 377868691 KMWFYYCOPOIUIA-OAHLLOKOSA-N 290.342 1.836 0 50 CDAA C[C@H](N)c1ccc(-c2cnn3c2CNCC3)cc1F 863720806 MXWNYLHMHQZPEC-VIFPVBQESA-N 260.316 1.812 0 50 CDAA COCC1(CC(=O)N2CC[C@@H](c3n[nH]cc3N)C2)CC1 864384222 JIXSIXGSUBFLOL-SNVBAGLBSA-N 278.356 1.125 0 50 CDAA CCN(CC)C(=O)N1CCC[C@@H](CN=S(C)(C)=O)C1 952992254 CCDBSXMQUMKJNH-LBPRGKRZSA-N 289.445 1.888 0 50 CDAA CCS[C@@H]1CCCCN(C(=O)c2cc(O)nn2C)C1 1875293494 SDIMYTMOVJEQPI-SNVBAGLBSA-N 283.397 1.874 0 50 CDAA Cc1noc(=O)n1Cc1ccn(-c2ccc(F)cc2)n1 1875391360 RNQCDNJUFTWAKJ-UHFFFAOYSA-N 274.255 1.518 0 50 CDAA Cc1ccc([C@H](CN(C)C)NC(=O)/C=C/CN(C)C)cc1 1875376943 NTEINWQPIGWTQZ-MOEXGYKKSA-N 289.423 1.832 0 50 CDAA CC(C)(C)c1noc(-c2nc3ncc(CCO)cn3n2)n1 1875347019 HVWRRPPMHRJPNU-UHFFFAOYSA-N 288.311 1.007 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875310692 YSYWDINSTAMLCE-OWUUHHOZSA-N 279.365 1.734 0 50 CDAA CCOC(=O)c1cc(Nc2cnn(CCF)c2)nc(C)n1 882651697 IAIMKSXWPKQFIS-UHFFFAOYSA-N 293.302 1.871 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cnn(C)n2)C1 888102911 UTOFWOQMGCAKFO-OLZOCXBDSA-N 290.371 1.117 0 50 CDAA COc1ccnc(NCC2(C3(O)CCOCC3)CC2)n1 895823689 UKFYQNHNCAULTL-UHFFFAOYSA-N 279.340 1.219 0 50 CDAA CCOC(=O)c1n[nH]cc1CSc1ncccn1 1775990426 FUBOGJMTPXAHKE-UHFFFAOYSA-N 264.310 1.669 0 50 CDAA N[C@]12CCC[C@H]1CN(C(=O)c1ccc(C3CC3)nc1O)C2 1775961275 MBENYALEBSBJEU-ZBEGNZNMSA-N 287.363 1.618 0 50 CDAA C=CC(=O)NC1CC2(CCC(C(=O)OC)CC2)C1 1776003554 XCUYATLKJUVCDG-UHFFFAOYSA-N 251.326 1.801 0 50 CDAA CN(Cc1nnn(C)n1)[C@@H](c1ccccc1)C(F)(F)F 328595223 OLSBXZNSIGCVTR-NSHDSACASA-N 285.273 1.946 0 50 CDAA CO[C@]1(C(=O)O)CCN(C(=O)c2ccc(F)cc2C)C1 630253794 HRYUQDDPOPPJHI-CQSZACIVSA-N 281.283 1.450 0 50 CDAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@H]1CCC(=O)N1 336055450 BSBVEAMPUZNKOU-HTQZYQBOSA-N 278.274 1.454 0 50 CDAA O[C@]1(C(F)(F)F)CCCN(Cc2cc[nH]n2)CC1 336513145 UKIFGLFIHDPZPA-SNVBAGLBSA-N 263.263 1.689 0 50 CDAA CCOc1ccccc1CN(C)CCN1CCNC1=O 336835633 JSJGCWXDXVBTDY-UHFFFAOYSA-N 277.368 1.542 0 50 CDAA COCC1(CNC(=O)c2ccccc2C(=O)O)CCC1 380471794 RIFVOWCORWZCBH-UHFFFAOYSA-N 277.320 1.931 0 50 CDAA Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCO2)c1C 2906081 HMLIVEBXROGQDD-GFCCVEGCSA-N 276.336 1.537 0 50 CDAA C[C@@H]1C[C@@H](C[C@@H](C)C(=O)Nc2nncs2)C(=O)O1 9329362 HSNRFEFDFJEALN-BWZBUEFSSA-N 269.326 1.454 0 50 CDAA CCN(CC)C(=O)c1ccc(-c2nc(=O)n(C)[nH]2)cc1 2100539787 YOJJBYVXYPGTJH-UHFFFAOYSA-N 274.324 1.257 0 50 CDAA Cc1nc2nccc(N=c3ccn(CC(F)F)[nH]3)n2n1 2325767226 AZRAONNSNWESOA-UHFFFAOYSA-N 279.254 1.060 0 50 CDAA NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 30817 ZQWXOBLMDBJRLY-UHFFFAOYSA-N 296.373 1.577 0 50 CDAA in-vivo CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 103656 ZCYWBSLSRMSRPJ-UHFFFAOYSA-N 261.325 1.314 0 50 CDAA NC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1 142756 SUVONWCTZFTVSK-UHFFFAOYSA-N 299.355 1.912 0 50 CDAA COc1cc2c(cc1-c1cnn(CCO)c1)OCO2 2356148628 ITNFJKFSGGDJLU-UHFFFAOYSA-N 262.265 1.280 0 50 CDAA CC(=O)SCCCN1C(=O)c2ccccc2C1=O 2556324 QDCSBRSBDZXURK-UHFFFAOYSA-N 263.318 1.952 0 50 CDAA Cn1cnc2cnc(N3CCC[C@@H](c4ncc[nH]4)C3)nc21 2356150908 FSPGRUAWXZPPFV-SNVBAGLBSA-N 283.339 1.470 0 50 CDAA Cc1cnc(NC(=O)CSc2nnc(N)s2)s1 2848346 QKVAWOQHXLDOQX-UHFFFAOYSA-N 287.395 1.616 0 50 CDAA COC1(CN(C)C)CCN(Cc2scnc2C)CC1 2356166939 FCDSGTXTCZBJFR-UHFFFAOYSA-N 283.441 1.994 0 50 CDAA Cc1cc(C(=O)N2CCN[C@@H](C)C2)c(F)cc1F 135231265 YHDSZMWZPGYLIO-VIFPVBQESA-N 254.280 1.707 0 50 CDAA COc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1OC 8764902 KADMOGQKDILNCK-UHFFFAOYSA-N 278.260 1.746 0 50 CDAA biogenic O=C1CN(C(=O)c2n[nH]c3ccccc23)[C@H]2CCCC[C@@H]2N1 225469929 OWPKECJFAZYFKL-STQMWFEESA-N 298.346 1.446 0 50 CDAA O=C(CCCOc1cccc(F)c1)N1C[C@@H](F)C[C@H]1CO 347413714 QYVHZDJSMYRVRE-STQMWFEESA-N 299.317 1.916 0 50 CDAA Cc1cc(CN[C@@H]2CCCN(c3ncccn3)C2)n(C)n1 417865115 CAXIDUJINDWWLB-CYBMUJFWSA-N 286.383 1.277 0 50 CDAA CC(=O)N[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3N2)C1 132902495 DHPHOPZOMRJUMO-DZGCQCFKSA-N 287.363 1.150 0 50 CDAA O=C(Nc1nccnn1)c1ccc([C@@H]2CCCN2)s1 23339255 WJCRHODYFPOGHP-QMMMGPOBSA-N 275.337 1.610 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@H](c2cccc(N)n2)C1 309832840 HBKMUPAKSWZFIO-NSHDSACASA-N 279.340 1.972 0 50 CDAA NCc1cccc(N2C(=O)c3ccccc3C2=O)c1 22223586 KMUSEUUCMJBEQE-UHFFFAOYSA-N 252.273 1.946 0 50 CDAA O=C(O)C(=O)NC(c1ccccc1)c1ccccc1 20199414 IVGVXPINKYQNLB-UHFFFAOYSA-N 255.273 1.977 0 50 CDAA CCOc1cc(C(=O)NC[C@@](C)(O)C2CCCCC2)[nH]n1 1362479065 AWYPUVNSXLFQHW-OAHLLOKOSA-N 295.383 1.870 0 50 CDAA Cc1cnc(C(=O)N(C)Cc2ncccc2C)cn1 20999611 NVRXWXJBLOIXMF-UHFFFAOYSA-N 256.309 1.761 0 50 CDAA NNC(=S)Nc1cc(F)c(Br)c(F)c1 67800221 VIWFPRIMZRZPTD-UHFFFAOYSA-N 282.113 1.887 0 50 CDAA Cc1nn(Cc2nnc(SCC(=O)O)n2C)c(C)c1C 65373372 QUYBPDNWOUVRIL-UHFFFAOYSA-N 295.368 1.162 0 50 CDAA CCc1cc(C(=O)NC[C@H]2CCNCC2(F)F)cc(O)n1 424196007 UNRAFNAJZUUVFD-SNVBAGLBSA-N 299.321 1.324 0 50 CDAA CCOCC(=O)N1CCC2(CCC(=O)N(C)CC2)CC1 67975680 FSZSSVVYTGYXLG-UHFFFAOYSA-N 282.384 1.274 0 50 CDAA CN(C)[C@H]1CCCN(C(=O)c2[nH]nc(N)c2Cl)CC1 215621762 DULHNKJHXAFOOZ-QMMMGPOBSA-N 285.779 1.202 0 50 CDAA Cc1nc(C)c(CC(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c(=O)[nH]1 77323677 CKFXDEMGSUIUCK-OBJOEFQTSA-N 289.379 1.624 0 50 CDAA O=C(Nc1cccc2ccccc12)C(=O)N1CCC[C@H]1CO 120902626 VCAIWJLOVTZPQI-ZDUSSCGKSA-N 298.342 1.762 0 50 CDAA COC(=O)C(C)(C)CCN1CCO[C@H]([C@H]2CCCO2)C1 252584463 AOOUKTDESNNFHA-OLZOCXBDSA-N 285.384 1.456 0 50 CDAA Cc1nc(C)n(C[C@@H](C)C(=O)NCc2ccccc2)n1 32498234 DHJZEQSYDVGCDU-LLVKDONJSA-N 272.352 1.847 0 50 CDAA Cn1cnn(CCC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c1=O 329447828 LLDYLQGEDNBJNL-NEPJUHHUSA-N 292.383 1.009 0 50 CDAA CCn1cncc1Cn1ccnc1-c1nccn1C 72435759 YVSSEVPDNOUAMG-UHFFFAOYSA-N 256.313 1.548 0 50 CDAA O=C(N[C@H]1CCCNC1)c1csc(-c2ccoc2)n1 124235404 JNIBUSZYRZWQGS-JTQLQIEISA-N 277.349 1.885 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]2(CN)C(=O)O 218725005 RPKPCPUMSQEIEB-OLZOCXBDSA-N 270.329 1.047 0 50 CDAA Cc1cccc2[nH]c(CCC(=O)N(C)CC(=O)O)nc12 153112882 BFOYSAJRIDXJJP-UHFFFAOYSA-N 275.308 1.347 0 50 CDAA O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1ncccc1O 361480097 BKUAEWDSGLQBDK-GFCCVEGCSA-N 290.294 1.260 0 50 CDAA O=C(CN1C[C@H](O)C2(CC2)C1)N1CCCc2ccccc21 335858781 KTNZPUQAWDJFST-HNNXBMFYSA-N 286.375 1.423 0 50 CDAA Cc1ccc(NS(=O)(=O)c2cccc(C(N)=O)c2)cc1 33359635 QDGIOCJKQDFKAN-UHFFFAOYSA-N 290.344 1.895 0 50 CDAA COc1ccc2ncn([C@H](C)Cn3cccn3)c(=O)c2c1 32573230 SXRMBYRKDLNDGT-LLVKDONJSA-N 284.319 1.863 0 50 CDAA CCc1nc([C@H](C)NC(=O)[C@H]2CCNC2)cs1 237063115 RPCANYUWPXKLTN-IUCAKERBSA-N 253.371 1.492 0 50 CDAA O=C1COc2ccc(CN3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)cc2N1 333567115 PCEPAEHFUWFMMK-AYRXBEOTSA-N 298.342 1.403 0 50 CDAA Cc1cnccc1NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1 262286581 OHHMXJHVJQWKJC-OLZOCXBDSA-N 285.351 1.065 0 50 CDAA COCCn1nc(C)c(-c2cc(C(=O)O)[nH]n2)c1C 217043377 HJFKUTMLDPZPOU-UHFFFAOYSA-N 264.285 1.235 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CCNC2)[C@@H](c2ccccc2)CO1 237619721 XKGMPSHIVWERIK-VHDGCEQUSA-N 274.364 1.585 0 50 CDAA C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C12CCCN1CCC2 334205176 XJJSVMQFLSIYGG-HUUCEWRRSA-N 291.439 1.700 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1 238083507 DDSOOWKDXSTGPV-NSHDSACASA-N 273.288 1.396 0 50 CDAA Cc1nc([C@@H]2CCCCCN2C(=O)Cc2cc[nH]n2)no1 378606467 IZLZARIOTMPLRL-LBPRGKRZSA-N 289.339 1.788 0 50 CDAA O=C(NCCc1nnc2n1CCCCC2)C1[C@H]2CCC[C@H]12 177628922 YLJGVTSULBTRON-RYUDHWBXSA-N 288.395 1.709 0 50 CDAA O=C(c1cc(-c2ccco2)[nH]n1)N1CC[C@@](F)(CO)C1 338738768 GWELWIAGXNRXIR-ZDUSSCGKSA-N 279.271 1.216 0 50 CDAA Cc1c[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)n1 222857975 PNZYYSYFUJYXNI-CHWSQXEVSA-N 293.367 1.422 0 50 CDAA Cc1cc2cc(C(=O)N3CC[C@@H](N)[C@H](O)C3)ccc2o1 82134900 ZHRIBLHHFQNRKR-CHWSQXEVSA-N 274.320 1.275 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N1C[C@H](F)C[C@H]1C(N)=O 286660794 DAJRPOCCZMSCDH-KOLCDFICSA-N 284.718 1.686 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc(F)cc(Cl)c1 287005254 TWHFVDDOWUJMQF-ZJUUUORDSA-N 288.681 1.517 0 50 CDAA CN1C[C@H](NC(=O)Cc2ccc(N(C)C)cc2)CCC1=O 222424144 WZHVQCPXHYFXMQ-CYBMUJFWSA-N 289.379 1.032 0 50 CDAA CCCn1nc(CNc2cccc(OC)c2)[nH]c1=O 40268106 FMEZMEMZGJWHKJ-UHFFFAOYSA-N 262.313 1.602 0 50 CDAA Cc1n[nH]c2ncc(NC(=O)[C@@H]3CCN(C)C(=O)C3)cc12 193871811 ZBCGAZZTEVKQOD-SECBINFHSA-N 287.323 1.073 0 50 CDAA c1cc(-c2ccc(CN3CC[C@H]4CNC[C@H]43)o2)n[nH]1 82156155 HUKNSJWNFUDYDG-GXFFZTMASA-N 258.325 1.463 0 50 CDAA CC(C)[C@H](Oc1ccccc1)C(=O)NCCc1cnn[nH]1 426589876 AMPVZKPYRNOBOU-AWEZNQCLSA-N 288.351 1.567 0 50 CDAA CC(C)c1ccccc1N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 614952110 FTYDOOHGWGPHES-NSHDSACASA-N 289.335 1.371 0 50 CDAA O[C@@H]1[C@H]2[C@@H]3C[C@H]1N(Cc1ccccc1)[C@H]1[C@H](O)[C@H]3C[C@H]21 238882215 CSTMMPKXAKSWAE-PNSKRBBTSA-N 271.360 1.247 0 50 CDAA CN1CCN(C(=O)c2ncn(C)n2)c2cc(Cl)ccc21 291482733 LVRZTCMGABVAGK-UHFFFAOYSA-N 291.742 1.565 0 50 CDAA CN1CCC[C@H](CCC(=O)NCCn2cc(Cl)cn2)C1 95373841 ZLZURVRMVLFXEI-GFCCVEGCSA-N 298.818 1.775 0 50 CDAA COCc1c(C(=O)N2CCc3[nH]cnc3C2)noc1C 96142122 ZGFXSDSIFRWNCW-UHFFFAOYSA-N 276.296 1.051 0 50 CDAA CN1CCC[C@]2(CCN(c3ncnc4[nH]ccc34)C2)C1 292683335 DTSTWEPXQVBKJF-HNNXBMFYSA-N 271.368 1.880 0 50 CDAA C[C@@H]1C=C[C@H](C(=O)O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 238856311 VKSNXANUXMIWPH-IXOXFDKPSA-N 285.299 1.699 0 50 CDAA Cc1cc(=O)cc(C(=O)NC[C@H]2COc3ccccc3C2)o1 95498592 DQLYSIUJJJPSQV-LBPRGKRZSA-N 299.326 1.929 0 50 CDAA CCC[C@H]1CN(C(=O)CCc2scnc2C)C[C@@H]1N 92106743 ZVPDQUACEYCMGA-RYUDHWBXSA-N 281.425 1.970 0 50 CDAA CN(Cc1nccs1)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 244647084 GUUGDBVEHCMFMM-DTORHVGOSA-N 290.396 1.356 0 50 CDAA Cc1n[nH]c(C)c1CN(C)Cc1cc(=O)n2ccccc2n1 244701182 KBPVYPZAIIHNPX-UHFFFAOYSA-N 297.362 1.666 0 50 CDAA CN(C)S(=O)(=O)CCN1CCC=C(c2cccnc2)C1 295238609 UREZIIARCLDZIM-UHFFFAOYSA-N 295.408 1.062 0 50 CDAA O=C(CCc1ccco1)N1CCC(c2nc(O)n[nH]2)CC1 537720889 XSHIMCBDCAHXMH-UHFFFAOYSA-N 290.323 1.442 0 50 CDAA Cc1c(C(=O)NCc2noc([C@H]3CCCO3)n2)ccn1C 534635481 NOCKEFAZFYSRIG-LLVKDONJSA-N 290.323 1.498 0 50 CDAA CC(C)C[C@@H](C(=O)O)N1CCC[C@H](c2cc[nH]c(=N)n2)C1 629488746 WHQOGSVSGUPGHB-AAEUAGOBSA-N 292.383 1.568 0 50 CDAA C[C@@H](CN1CCc2ccccc2C1)NC(=O)c1cn(C)cn1 299782961 GSQQIAVOBYGZIQ-ZDUSSCGKSA-N 298.390 1.597 0 50 CDAA CC[C@@H](COC)NC(=O)c1cc(C(F)(F)F)n(C)n1 299773451 BNJRIJBVAPYBSL-ZETCQYMHSA-N 279.262 1.594 0 50 CDAA O=C1CCC2(CCNCC2)N1OCc1ccccc1 299790827 CQIPPLOMCFOFRF-UHFFFAOYSA-N 260.337 1.863 0 50 CDAA CS(=O)(=O)c1ccccc1Nc1nccc(N)n1 725327711 ALOZSGHCNGPDMN-UHFFFAOYSA-N 264.310 1.206 0 50 CDAA CO[C@H](C(=O)NCCc1csc(=N)[nH]1)c1ccccc1 584901578 BXAMMBFNLABCFB-LBPRGKRZSA-N 291.376 1.602 0 50 CDAA CCCc1nc(N(C)CCCCN2CCOCC2)no1 670444042 VSWQKEFKHQXRPK-UHFFFAOYSA-N 282.388 1.571 0 50 CDAA CCCc1nc(NCCCN2CCCC[C@@H]2CO)no1 670474172 KSXUMKQJDPXUSQ-GFCCVEGCSA-N 282.388 1.671 0 50 CDAA CO[C@@H](C(=O)Nc1cccnc1N)[C@H]1CCCOC1 1875301215 FTTRHPMYFIMZGK-GXSJLCMTSA-N 265.313 1.044 0 50 CDAA Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(=O)n1C 685945227 SQPPCCGEOFUZCR-CABCVRRESA-N 282.343 1.980 0 50 CDAA CNCC(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 952968320 KVDNDIIRKHJZFX-CQSZACIVSA-N 278.352 1.792 0 50 CDAA CSCC(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 952967368 KMQKISGMEZVTBC-LLVKDONJSA-N 284.425 1.599 0 50 CDAA CN1[C@H]2CC[C@H]1CC(O)([C@H](N)c1ccns1)C2 958527518 BFXWNGXXXORABF-ATZCPNFKSA-N 253.371 1.131 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)C1 86997913 JTRNBKNYYOCRBE-SECBINFHSA-N 272.270 1.928 0 50 CDAA Cn1c(SCCc2cnn[nH]2)nc2ccsc2c1=O 408518577 OMWKAIBJQBGPEO-UHFFFAOYSA-N 293.377 1.448 0 50 CDAA CC(=O)NCC(=O)Nc1ccc2nc(S)oc2c1 163609688 IPCULJPKOLLIPF-UHFFFAOYSA-N 265.294 1.191 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1coc(-c2ccccc2)n1 268881635 DOJZNHMADVCJBQ-VXGBXAGGSA-N 286.287 1.679 0 50 CDAA O=C(O)[C@@H]1CCCN1c1ccc(C(F)(F)F)nn1 167030480 JIGDPNLGVMUJJI-LURJTMIESA-N 261.203 1.549 0 50 CDAA N=c1nc(O)cc([C@H]2CCN(CCCC3CCC3)C2)[nH]1 630379263 VVLXPZAEJRSSSZ-LBPRGKRZSA-N 276.384 1.964 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)c2ncccn2)C1 275477461 AVIKUUFGVFURNA-ZDUSSCGKSA-N 262.357 1.024 0 50 CDAA CNC(=O)C1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)C1 186166497 UDTCFCYOEQUHGV-VXGBXAGGSA-N 294.301 1.273 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)Cc3ccc(F)c(F)c3)C[C@H]21 244734647 NJLFVDKVKVGQSM-WOFXILAISA-N 281.258 1.296 0 50 CDAA O=C1N[C@@]2(CCOC2)C(=O)N1c1cc(F)cc(F)c1 277382603 PAEKZSDVSDQFKX-GFCCVEGCSA-N 268.219 1.180 0 50 CDAA CCOc1ccc(Cl)cc1CCN1C(=O)CNC1=O 170592720 ZLPOSRKVOVTEIX-UHFFFAOYSA-N 282.727 1.833 0 50 CDAA Cc1cc(C(=O)N2CCN[C@H](C)C2)nn1C(C)(C)C 188371527 LEODBOUVYWHEHS-SNVBAGLBSA-N 264.373 1.380 0 50 CDAA COC[C@@](C)(CO)NCCC(=O)Nc1cccc(F)c1 639955871 SPIXGSZHZZUKBR-CQSZACIVSA-N 284.331 1.141 0 50 CDAA CS(=O)(=O)CC1(CN[C@@H]2CCCCC[C@H]2N)CCC1 643495416 HYPKYXIESGAEGA-CHWSQXEVSA-N 288.457 1.451 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(C)c(F)c1 643849353 ZIBPGTATEBKSRP-OAHLLOKOSA-N 295.310 1.840 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)[C@@H]1CCCCO1 583623941 YWIBQHBTRGXGTR-RYUDHWBXSA-N 263.341 1.131 0 50 CDAA Cc1nc2ccc(=NCCc3cnc(C4CC4)nc3)[nH]n2n1 585082323 COHDVHBCYPBIDN-UHFFFAOYSA-N 295.350 1.177 0 50 CDAA CCCCCOCC(=O)N[C@H](C)c1cnccn1 585086789 HCFUDLSMFZVRCT-LLVKDONJSA-N 251.330 1.861 0 50 CDAA CC(=O)CCCCCNC(=O)c1ccc(C(N)=O)cc1 585087584 PHGLVMIIOIPPDH-UHFFFAOYSA-N 276.336 1.665 0 50 CDAA Cc1cc(S(=O)(=O)Nc2ccc(=O)n(C)n2)c(C)s1 585128478 CBLRXKSVUQKUQO-UHFFFAOYSA-N 299.377 1.259 0 50 CDAA c1ccc([C@@H]2CCCN2c2cncc3ncnn23)nc1 679927074 MVEXABXANOHEOJ-LBPRGKRZSA-N 266.308 1.861 0 50 CDAA CNc1ncnc2c1cnn2C[C@@H](O)c1cccc(OC)c1 193755228 RHRMMDCINYWZJR-CYBMUJFWSA-N 299.334 1.610 0 50 CDAA O=S(=O)(c1ccccn1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 563527994 NCBZHVLJPLGOQF-NEPJUHHUSA-N 294.376 1.271 0 50 CDAA Cc1nnc(Cn2cc(CCN3CCCCC3)nn2)o1 656446065 GDLIEWLDBIDMKE-UHFFFAOYSA-N 276.344 1.046 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2ncc(C(=O)O)o2)C1 694739752 KIHCOEZWDWZEJP-UHFFFAOYSA-N 268.269 1.707 0 50 CDAA COCC1(CC(=O)N2C[C@@H](N)C3(CCC3)C2)CC1 1615605973 NOKRGWDPPGXMHQ-LLVKDONJSA-N 252.358 1.143 0 50 CDAA C[C@@H](O)CNC[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1775987144 DHXXZAUOOYWPBI-IJLUTSLNSA-N 272.389 1.602 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)c1ncnc2[nH]cnc12 1506399765 DUVBQMVWOFRTLL-UHFFFAOYSA-N 285.355 1.762 0 50 CDAA CCn1cc(C(=O)Nc2nnc([C@H](C)OC)s2)cn1 1506404796 VLQCCLZEYVFYQR-ZETCQYMHSA-N 281.341 1.714 0 50 CDAA Cn1nc2c(c1NC(=O)CN1CCCCCC1)CSC2 1506420289 AYYCWKYKWJHHFI-UHFFFAOYSA-N 294.424 1.981 0 50 CDAA CCn1ncnc1CN(C)Cc1n[nH]c2c1CCC2 215387902 BVTGTRUBUWAOMY-UHFFFAOYSA-N 260.345 1.142 0 50 CDAA NC[C@H]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]2C2CCC2)C1 1857530751 QLNOFFJOCWRUFG-AHLTXXRQSA-N 265.401 1.849 0 50 CDAA O=C1NCC2(CCN(C(=O)CC3=CCCC3)CC2)O1 1857693186 MBTGPCLZQNLFMA-UHFFFAOYSA-N 264.325 1.588 0 50 CDAA CN1CC2(C1)CN(Cc1ccc(-c3cc[nH]n3)o1)C2 1857700997 KEPZPEVOCMKGKW-UHFFFAOYSA-N 258.325 1.417 0 50 CDAA O=C(c1cncc(O)c1)N1CCN2CCCC[C@@H]2C1 113684779 YJUHVGIGVOTIMU-GFCCVEGCSA-N 261.325 1.098 0 50 CDAA COC[C@H]1CCCCN1c1cc(C)nc2ncnn12 583793630 QGXHVSPGKHHQFY-LLVKDONJSA-N 261.329 1.438 0 50 CDAA CC(C)(C)OC(=O)N1CCCn2nc(CO)cc2C1 32911285 AXNMURBYQCJANJ-UHFFFAOYSA-N 267.329 1.516 0 50 CDAA in-vitro CC[C@]12C[C@@H]1CN(C(=O)CCn1ccccc1=O)C2 1772814313 SIQUHQPWMHWFRI-IUODEOHRSA-N 260.337 1.497 0 50 CDAA C[C@H](CN1CCOCC1)NCc1ccc2cn[nH]c2c1 134526990 AKFZYPAWTYFSRT-GFCCVEGCSA-N 274.368 1.373 0 50 CDAA CCN(C)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O 12205481 AGWUNTCOTMTNGO-INIZCTEOSA-N 282.428 1.872 0 50 CDAA COc1ccc(CN2C(=O)O[C@@H]3CN(C)C[C@@H]32)cc1OC 12467840 JOUNENGPPHFZSA-SMDDNHRTSA-N 292.335 1.339 0 50 CDAA CNc1ncnc2sc(C(=O)NCCOC)c(C)c12 14990290 YOLLLWJMFDFQLQ-UHFFFAOYSA-N 280.353 1.418 0 50 CDAA C[C@H]1CN(C(=O)CCNC(=O)c2ccccc2)C[C@@H](C)O1 18077823 AHGWLBYAPYUMQU-BETUJISGSA-N 290.363 1.442 0 50 CDAA O[C@H](CN1CCOCC1)c1ccc(-c2cc[nH]n2)cc1 19867836 BGFMPQKIEIFBMR-OAHLLOKOSA-N 273.336 1.442 0 50 CDAA CCNC(=S)N1CCN(Cc2ccc(F)cc2)CC1 19899336 YGTHQXULCCCIHV-UHFFFAOYSA-N 281.400 1.838 0 50 CDAA O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169298637 QCXUJIJIBRKJBL-XDQVBPFNSA-N 271.316 1.826 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1 154689194 GIQDYRXYRSTVDY-VIFPVBQESA-N 295.364 1.514 0 50 CDAA O=C(C1CCCC1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857684696 YVUDJTSMMKATMR-SMDDNHRTSA-N 267.325 1.126 0 50 CDAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)[C@@H]1CCOC1 119632742 SUHYWWULRWVROF-ZYHUDNBSSA-N 265.313 1.037 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(F)(F)F 2583160 DIEZKLWJBOJOBE-YFKPBYRVSA-N 257.208 1.917 0 50 CDAA in-vitro C[C@@H]1CCOCCN1C(=O)C(=O)Nc1cccc(F)c1 225495001 OUNUATXCZFBUQX-SNVBAGLBSA-N 280.299 1.402 0 50 CDAA Cc1ncccc1O[C@@H]1CCN(C(=O)C(F)F)C1 328587419 PSCJGFNEZWWUIT-SECBINFHSA-N 256.252 1.635 0 50 CDAA Cn1cnnc1[C@@H]1CN(Cc2cccc3[nH]ccc23)CCO1 328621157 AIPZTSHSAFVAOD-HNNXBMFYSA-N 297.362 1.870 0 50 CDAA C1C[C@@H]2CO[C@H](c3noc([C@H]4C[C@@]45CCOC5)n3)CN2C1 329598824 PTEGHCFINUVULS-MCYUEQNJSA-N 291.351 1.499 0 50 CDAA CCCn1nc(C)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1C 128550601 VTHUSHFQZFACEQ-GFCCVEGCSA-N 293.367 1.847 0 50 CDAA CCc1cccc(C(=O)N[C@@H](CO)C2CCCC2)n1 451873265 UZFYXYAUZVXQQL-AWEZNQCLSA-N 262.353 1.925 0 50 CDAA NC(=O)COc1ccccc1-c1nc(-c2ccncc2)no1 348881239 IDDIIGIDFZAQMB-UHFFFAOYSA-N 296.286 1.663 0 50 CDAA Cc1cnn([C@@H]2CCN(C(=O)c3[nH]c(O)nc3C)C2)c1 566453736 VEVADDWERGSMHR-SNVBAGLBSA-N 275.312 1.016 0 50 CDAA C[C@H](C(=O)O)N1CCc2c(cnn2-c2ccccc2)C1 262211142 IVWJKCNVZZRMSV-LLVKDONJSA-N 271.320 1.704 0 50 CDAA O=C(c1cccc(F)c1O)N1CCO[C@]2(CCOC2)C1 935432250 KGKWDRFWFIPKFH-CQSZACIVSA-N 281.283 1.163 0 50 CDAA c1ccc(CN2CCN(c3ncccn3)CC2)cc1 19536363 KPSYTYUUIPYPQX-UHFFFAOYSA-N 254.337 1.799 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1cc(C)ns1 952882903 WGLXGHNSSZCNEQ-UHFFFAOYSA-N 260.340 1.338 0 50 CDAA COc1ccccc1-c1ccc(N2CCNC(=O)C2)nn1 952964473 RUUXHGIODPOSHM-UHFFFAOYSA-N 284.319 1.088 0 50 CDAA Cc1ocnc1CNCc1cc2c(cn1)OCCO2 1875284682 HBNWUNHDHLRHSX-UHFFFAOYSA-N 261.281 1.439 0 50 CDAA Cc1nc(C(=O)N2CCC[C@@H]2c2nc(C)c(C)[nH]2)no1 1875282475 GKPBWLYQDAUEPP-SNVBAGLBSA-N 275.312 1.695 0 50 CDAA COC(=O)C(C)(C)C1CCN(C(=O)c2cn[nH]c2)CC1 1875297851 GATJBYRVJDKZEH-UHFFFAOYSA-N 279.340 1.461 0 50 CDAA CCOc1ccnc(NC[C@@H]2C[C@H](C)CCN2)n1 1875275829 WNHOXDHMKXEMMH-MNOVXSKESA-N 250.346 1.675 0 50 CDAA Cc1cc(=O)c2cc(NC(=O)C3(N)CC3)ccc2[nH]1 1875315143 JPZLIQZMHLKKQI-UHFFFAOYSA-N 257.293 1.266 0 50 CDAA O=C(C[C@@H]1CCNC1=O)N[C@@H]1CCCc2ccccc21 877904570 LYNUXGAUWBAVLE-GXTWGEPZSA-N 272.348 1.706 0 50 CDAA Cc1noc(COC2CN([C@@H]3CCOC4(CCC4)C3)C2)n1 886097269 PPOQCSYJSPAQMO-GFCCVEGCSA-N 293.367 1.681 0 50 CDAA Cc1ncccc1CCNC(=O)[C@@H]1CC12CCC(N)CC2 1775961325 QVWQPWBCQWTGQT-CKDBGZEDSA-N 287.407 1.956 0 50 CDAA Cc1nc2ccccn2c1CN1CCC[C@@H]1C(=O)O 237771484 JPRMHBJTDXJYCW-LLVKDONJSA-N 259.309 1.692 0 50 CDAA CN(C)[C@H]1CCN(CC(=O)NCc2cccs2)C1 252507804 WUCFOUFYKSZLIK-NSHDSACASA-N 267.398 1.000 0 50 CDAA CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc(CCO)cc2)C1 294416963 WQNZQFGLXUFWOF-GJZGRUSLSA-N 297.420 1.989 0 50 CDAA Cc1ccccc1SCC(=O)N1CCC[C@](O)(CO)C1 72154122 YURUKUMLUJLWAP-OAHLLOKOSA-N 295.404 1.433 0 50 CDAA NC[C@H]1CC[C@@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 423732948 AYTYWDXUHVDVOL-GZMMTYOYSA-N 287.285 1.958 0 50 CDAA C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@@H]1CC12CCCC2 333361594 XQNZVJYXBYDXBS-COPLHBTASA-N 253.342 1.223 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2csc(=N)[nH]2)C1 584897496 YBPUFWQSAQOLCC-SECBINFHSA-N 269.370 1.444 0 50 CDAA CNCc1cccc(NC(=O)CCc2cn[nH]c2)c1 911693075 ZXIFMNRQWVCRJA-UHFFFAOYSA-N 258.325 1.700 0 50 CDAA CC1(C)C[C@@H](O)CCN(C(=O)c2csc(=N)[nH]2)C1 395442885 LTYXMFFCTFDEEM-QMMMGPOBSA-N 269.370 1.179 0 50 CDAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc2cc[nH]c2n1 2100557415 RNRDGLVHNBOBCT-PHIMTYICSA-N 287.319 1.936 0 50 CDAA CN(C(=O)c1cn(C)c(=O)nc1O)[C@@H]1C[C@H]1c1ccccc1 2325744189 SILUTYURKZOORX-WCQYABFASA-N 299.330 1.114 0 50 CDAA C[C@@H]1CCCN1CC(=O)Nc1ccc2c(c1)C[C@@H](O)C2 2325750142 RTIPFIDHFBUKFL-ABAIWWIYSA-N 274.364 1.569 0 50 CDAA COCCN(C)C1=CC(=O)N(c2ccccc2)C1=O 2325825771 AYZBVTAASYBLTH-UHFFFAOYSA-N 260.293 1.022 0 50 CDAA CC[n+]1cc(-c2ccccc2)nc(N2CCOCC2)n1 61025 WTHXQRAFPNTBTP-UHFFFAOYSA-N 271.344 1.288 0 50 CDAA aggregator CCOC(=O)CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 78194 DIQGPRUTKMOZHE-UHFFFAOYSA-N 281.308 1.944 0 50 CDAA COc1cc([C@@H](O)c2nccn2C)cc(OC)c1OC 85876 YJQRNWFHOPZNKJ-GFCCVEGCSA-N 278.308 1.528 0 50 CDAA CCn1c(SCC(=O)NC)nnc1-c1ccco1 312111 ITQPBDABAXMHOR-UHFFFAOYSA-N 266.326 1.396 0 50 CDAA Cn1cncc1C(=O)N1CCC(OC(F)(F)F)CC1 2356141477 CXPOWURLBQBQJR-UHFFFAOYSA-N 277.246 1.561 0 50 CDAA C[C@H]1C(=O)N(C2CC2)Cc2nnc(-c3cccnc3)n21 2356145023 XKTDTNISHZXFED-VIFPVBQESA-N 269.308 1.406 0 50 CDAA COC[C@@]12COC[C@@H]1CN(c1nnc(C(C)C)s1)C2 2356152460 KKIDLMFMJILOQJ-GWCFXTLKSA-N 283.397 1.761 0 50 CDAA O=CN1CCN(C(=O)CCCOc2ccccc2)CC1 2838849 DCFKJKLNOYMVPD-UHFFFAOYSA-N 276.336 1.146 0 50 CDAA O=C(O)c1c(-c2ccccc2)o[nH]c1=NCCc1cc[nH]n1 2356160501 VNGOBYVAFIAPKP-UHFFFAOYSA-N 298.302 1.839 0 50 CDAA O=C(O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 4002289 VAHXWPCPCXYHCI-UHFFFAOYSA-N 292.316 1.362 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1 7814756 BITNETQOCMZGKF-LLVKDONJSA-N 262.334 1.652 0 50 CDAA CC(=O)c1cccc(OCC(=O)NC(C)(C)CN)c1 225468200 ZRYHVIJTSFQILK-UHFFFAOYSA-N 264.325 1.122 0 50 CDAA COCCCC(=O)NC[C@@H](O)c1cccc(OC)c1 111637634 PJPADPACIASANQ-CYBMUJFWSA-N 267.325 1.271 0 50 CDAA CN1CCN(Cc2c(F)cccc2F)C[C@@H]1CCO 20601140 ZRSAAQRJXWEKCK-NSHDSACASA-N 270.323 1.463 0 50 CDAA CCOC(=O)c1c(C)nc2nc(-c3ccncc3)nn2c1C 9489174 BUIABVAFVSBNEC-UHFFFAOYSA-N 297.318 1.980 0 50 CDAA CCOC(=O)N1CCN(C(=O)NCc2ccco2)CC1 9874380 XYCYTEBMUUIKEV-UHFFFAOYSA-N 281.312 1.263 0 50 CDAA Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 170603813 QOYZRQSWXCLPIO-JTQLQIEISA-N 266.345 1.302 0 50 CDAA CN(C)CCOC(=O)c1cc2ccccc2oc1=O 22014715 RYPCZPGOOPCWFI-UHFFFAOYSA-N 261.277 1.511 0 50 CDAA Fc1cccc2c(N3CC[C@]4(CCNC4)C3)ncnc12 420224416 ASBSMKJNTSRFLX-HNNXBMFYSA-N 272.327 1.959 0 50 CDAA Cc1nsc(NC(=O)N2CCC[C@@H](CN)C2)n1 55119699 YZJDZCUUZDUXTK-QMMMGPOBSA-N 255.347 1.049 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(OC)c1 344806367 WWDNZAAQBKQXMO-GXTWGEPZSA-N 279.336 1.571 0 50 CDAA Nc1cc(-c2nnn(Cc3ccccc3)n2)ccc1O 20120472 VXOZYYDGWLKJCC-UHFFFAOYSA-N 267.292 1.676 0 50 CDAA CNC(=O)[C@H]1CCC[C@H]1NC(=O)CCc1ccncc1 345909727 JATXZJVUNYRMRJ-QWHCGFSZSA-N 275.352 1.045 0 50 CDAA CCN(C(=O)CCN[C@H](C(N)=O)C(C)C)c1ccccc1 65432730 RMMGZIKQTRFLLG-HNNXBMFYSA-N 291.395 1.529 0 50 CDAA Cc1cccc(Cn2c([C@H]3CCCN(C)C3)n[nH]c2=O)c1 65397922 AAGKDWWBRNPFAD-AWEZNQCLSA-N 286.379 1.737 0 50 CDAA C[C@H]1CCCN(CCC(=O)N(C)CCN(C)C)C1 20857486 FDTRYRXEKBPODT-ZDUSSCGKSA-N 255.406 1.128 0 50 CDAA CC(=O)N1CCC(N(CCO)Cc2ccccc2C)CC1 65526124 HCULHJTYUGMUDX-UHFFFAOYSA-N 290.407 1.800 0 50 CDAA Cc1cc(O)cc(=O)n1CC(=O)NCC1(C2CC2)CCC1 120216905 YOHNQKKYGOIBJL-UHFFFAOYSA-N 290.363 1.559 0 50 CDAA CCC1=NO[C@H](CNC(=O)c2oc(CC)nc2C)C1 65385865 NRMMXOKUJKDRJM-JTQLQIEISA-N 265.313 1.830 0 50 CDAA CC[C@H](O)C1CCN(c2ncc(C)c(N(C)C)n2)CC1 65406526 AOTMRPUKTFOENC-ZDUSSCGKSA-N 278.400 1.838 0 50 CDAA c1cnn([C@@H]2CCCC[C@@H]2NCC2OCCO2)c1 128391251 JCNUJXUYCKURJX-NWDGAFQWSA-N 251.330 1.329 0 50 CDAA CN1C[C@H]2CN(Cc3ccc(N(C)C)nc3)C[C@H]2C1 216093041 ULFWETDPJJXEFX-OKILXGFUSA-N 260.385 1.141 0 50 CDAA CC(C)c1noc(CCCNC(=O)[C@@H]2CCCCO2)n1 121635681 NBEHVVQPEXPPRD-NSHDSACASA-N 281.356 1.811 0 50 CDAA Cc1ncsc1CCN(C)C(=O)COC[C@@H]1CCCO1 72423121 SVOIZRWKHFEEAE-LBPRGKRZSA-N 298.408 1.648 0 50 CDAA CSCC(=O)N1CCc2nc(-c3cn[nH]c3)[nH]c2C1 216170161 QDEGGOYFSXQEFN-UHFFFAOYSA-N 277.353 1.048 0 50 CDAA CCOc1cccc(C(=O)Nc2c[nH]nc2C(=O)OC)c1 357204163 VHOSAGVPLUOXKN-UHFFFAOYSA-N 289.291 1.847 0 50 CDAA O=C(O)c1cncc(-c2cccc(CN3CCOCC3)c2)n1 216118042 ISJJTFVFCYURHF-UHFFFAOYSA-N 299.330 1.674 0 50 CDAA Cn1ccc([C@H](NS(C)(=O)=O)c2ccc(F)cc2)n1 374515343 UKONAHWKXDKVFK-GFCCVEGCSA-N 283.328 1.198 0 50 CDAA OC[C@@H]1[C@H]2CN(c3cncc(OC4CCCCC4)n3)C[C@H]21 368226104 MRRHNCHXYYAMTA-WDNDVIMCSA-N 289.379 1.863 0 50 CDAA COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1COCCN1 237087738 RFMKUSPVZPIHPV-GFCCVEGCSA-N 298.770 1.295 0 50 CDAA Cc1cc(OCC(=O)O)ccc1NC(=O)c1cnn(C)c1 237768861 HOSGGPRXZNWNKD-UHFFFAOYSA-N 289.291 1.444 0 50 CDAA CC1=C(C(=O)NCc2ccc(-c3nnn[nH]3)cc2)CCCO1 132500806 LQFKVNIXLWYKHZ-UHFFFAOYSA-N 299.334 1.567 0 50 CDAA Cc1cc(C(=O)N[C@H]2C[C@@](C)(O)C2)c(F)cc1F 335462617 QJCUGQVRJZAGJS-KTLJEJPDSA-N 255.264 1.916 0 50 CDAA O=C1CCCN1C1CCN(Cc2nnc(C3CC3)o2)CC1 71745439 ZXHYQWJMBIFVOL-UHFFFAOYSA-N 290.367 1.534 0 50 CDAA O=C(O)C1CN(Cc2cnn(-c3ccccc3)c2)C1 71174043 XWBPCPHTRGKPMH-UHFFFAOYSA-N 257.293 1.389 0 50 CDAA O=C(O)[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCO1 43703643 IXZHQUVEYYEZQX-AWEZNQCLSA-N 287.319 1.158 0 50 CDAA O=C(NCC1(C(=O)O)CC1)[C@H]1Cc2ccccc2S1 138885414 HZSXMPKIWMSLGL-LLVKDONJSA-N 277.345 1.684 0 50 CDAA O[C@]1(Cn2ccnn2)CCCN(CCc2ccccc2)C1 285451760 JQDPNFZBNSIUCW-MRXNPFEDSA-N 286.379 1.348 0 50 CDAA CC(C)c1nc(CN(C)C(=O)CCn2cncn2)cs1 82108774 LXCAREXPPOBYCL-UHFFFAOYSA-N 293.396 1.907 0 50 CDAA Cc1noc([C@H]2CN(Cc3c(C)noc3C)CCN2C)n1 285598191 UKQRNISYJOECOO-CYBMUJFWSA-N 291.355 1.472 0 50 CDAA CC1CCC(=CC(=O)N2CC[C@](O)(c3c[nH]nn3)C2)CC1 286143564 NDLOCCFSMPGFHD-JOPIAHFSSA-N 290.367 1.361 0 50 CDAA COC[C@@H](NC(=O)C(C)(C)N1CCCC1)c1ccnn1C 426465366 ZKFZEUHYZMHRBO-GFCCVEGCSA-N 294.399 1.098 0 50 CDAA Cc1ccc(=O)n(CC(=O)Nc2ccccc2F)n1 44394358 CELMCRLUEOYQGT-UHFFFAOYSA-N 261.256 1.330 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C)nc(C)c1 222577551 WYGAQVWGMSYHAX-ZIAGYGMSSA-N 278.352 1.622 0 50 CDAA CS(=O)(=O)Cc1ccc(C(=O)N2CCCC2)cc1 40457524 VEBWZYSPSBGFIF-UHFFFAOYSA-N 267.350 1.467 0 50 CDAA COc1cccc(-n2c(CN)nnc2SC[C@@H](C)O)c1 426409091 SDLYGQZPIVYYKE-SECBINFHSA-N 294.380 1.208 0 50 CDAA Cc1cccc([C@H](NC(=O)Cc2cnccn2)C(=O)O)c1 221381372 RUCGVZWRKRTOBB-AWEZNQCLSA-N 285.303 1.270 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)c1cc(CO)ccn1)C1CC1 220680205 FIRDLAQBKOFZOG-ZDUSSCGKSA-N 286.335 1.189 0 50 CDAA Cc1nc(C)n(CCCNC(=O)c2n[nH]c(C)c2Cl)n1 426690684 NSKDXUFFXHJVPE-UHFFFAOYSA-N 296.762 1.400 0 50 CDAA CC(C)(C)n1ccc(C(=O)N[C@@H]2COCC[C@H]2O)c1 223039476 FVYRQOZJNYTKTJ-VXGBXAGGSA-N 266.341 1.123 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2nnc(N)s2)CC1 142270236 UYCOBVUFFIQOFB-UHFFFAOYSA-N 285.373 1.177 0 50 CDAA Cc1c(C(=O)N[C@H]2CNCC[C@H]2O)[nH]c2ccc(F)cc12 426503562 RFMZJBQDOICZPB-QWHCGFSZSA-N 291.326 1.068 0 50 CDAA CC(C)Oc1ccccc1CC(=O)N1CC[C@H](CN)C1 178531090 LEWGQLZEWTUHDY-CYBMUJFWSA-N 276.380 1.824 0 50 CDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cn(C)nc1C 91707167 CCDZZOAHKZJFKR-CYBMUJFWSA-N 292.383 1.202 0 50 CDAA CCC1=NO[C@H](CNC(=O)c2c[nH]c(=O)c3ccccc23)C1 97784996 KEPRLWKSRMJQOT-NSHDSACASA-N 299.330 1.813 0 50 CDAA CN1CCCCC[C@@H]1C(=O)NCc1ccc(C(=O)O)cc1 95379193 RZTPEVFNNPCFFW-CQSZACIVSA-N 290.363 1.875 0 50 CDAA CCc1cccc(C)c1NC(=O)N1CCS(=O)(=O)CC1 96130885 FLMUCHBIBLOLJP-UHFFFAOYSA-N 296.392 1.820 0 50 CDAA CC(C)n1cccc1C(=O)NCc1cccnc1N 244764065 PAUWNTXKUHPXJH-UHFFFAOYSA-N 258.325 1.976 0 50 CDAA CC1CCN(CC(=O)NCC[C@H]2CCOC2)CC1 345720042 LYGSLURCWJPNEG-ZDUSSCGKSA-N 254.374 1.261 0 50 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CC(C)Cn1ncc(C(=O)N2CC(O)C2)c1C(F)F 270372213 HZVLBRYDDNIHJT-UHFFFAOYSA-N 273.283 1.293 0 50 CDAA Cc1nc(CN(C(=O)[C@@H]2CCCN2C)C(C)C)no1 952862958 SWUFJWOZTMDQFB-NSHDSACASA-N 266.345 1.209 0 50 CDAA Cc1cc(C)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)[nH]1 408051383 JSRQPWKGQXQUMN-MGPQQGTHSA-N 292.379 1.634 0 50 CDAA O=C(CCCC(=O)C1CC1)NC[C@@H]1CCCOC1 408521944 ARDRQBKFDCDKCZ-NSHDSACASA-N 253.342 1.679 0 50 CDAA Cc1nnc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)s1 271269239 NDSBDOVUARKRSH-VXNVDRBHSA-N 270.358 1.783 0 50 CDAA CCSCCN1CCNC(=O)c2ccccc21 271524133 HJLFGLGJFAECAQ-UHFFFAOYSA-N 250.367 1.990 0 50 CDAA CO[C@H]1C[C@H](NC(=O)c2ccc(OCC(=O)O)cc2)C1 630304187 FTHVHVJEWAUREQ-UMSPYCQHSA-N 279.292 1.057 0 50 CDAA Cc1ccc(CN(CCO)C(=O)N[C@@H]2CCO[C@@H]2C)cc1 272872029 SDSHBDJFCDLPEN-UKRRQHHQSA-N 292.379 1.676 0 50 CDAA CCOc1ccnc(N2CCN(c3cccc(C)n3)CC2)n1 274584104 IFSIJIVQXALTAU-UHFFFAOYSA-N 299.378 1.905 0 50 CDAA C[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H](C)N 168675413 JRHFSPVMGPUYCE-QWHCGFSZSA-N 261.369 1.067 0 50 CDAA Cc1c(C(=O)NC(C)(C)CC(N)=O)cnn1CC(C)C 186257112 QRIBMAJZMNHDCP-UHFFFAOYSA-N 280.372 1.231 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)sc1C 170070982 HYMJSLNZFLFWPB-GXSJLCMTSA-N 288.438 1.865 0 50 CDAA COc1cccc(CNc2nnc([C@@H]3CCCO3)o2)n1 170611019 OTCKTKBZRJDTFP-JTQLQIEISA-N 276.296 1.937 0 50 CDAA CO[C@@H]1CCC[C@H]1NC(=O)c1cccc(OCC(=O)O)c1 668324768 ZTUSXVCBVXGLGZ-CHWSQXEVSA-N 293.319 1.447 0 50 CDAA C[C@H](c1ccccn1)N1CCO[C@H](Cn2ccnn2)C1 639856673 ITLXJQCJBQCIIJ-OLZOCXBDSA-N 273.340 1.135 0 50 CDAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccnn2C)C1 190104329 GPXWACPYNIYJQP-VXGBXAGGSA-N 277.328 1.074 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(OC)cc1 643847530 JEXVJVVHRDPRJS-OAHLLOKOSA-N 293.319 1.401 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)COC2CCCC2)C1 644118809 ZLOJMWMBWMXRDB-OLZOCXBDSA-N 293.367 1.657 0 50 CDAA C[C@H]1OCC[C@H]1NC(=O)c1c[nH]nc1-c1cccnc1 646996193 ZOCRNUQHLBAQGC-BXKDBHETSA-N 272.308 1.379 0 50 CDAA COc1ccncc1CNC(=O)c1cn2c(n1)CCC2 583323690 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CCCc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)cc1 1616099311 ZQDXXYXJAUNISK-STQMWFEESA-N 287.356 1.342 0 50 CDAA COCCO[C@H](C)c1nnc2n1CC(C)(C)CC2 1616037642 DYYDVABNHJFQSD-SNVBAGLBSA-N 253.346 1.975 0 50 CDAA CCOC(=O)c1ccc(NC(=O)c2ccnn2C)cc1 87023 NTDROUOWRLKCIP-UHFFFAOYSA-N 273.292 1.849 0 50 CDAA CCc1noc(NC(=O)[C@@H](C)N2CCCC2)c1C 1529110861 SPGVOZGRPJUHNC-SNVBAGLBSA-N 251.330 1.968 0 50 CDAA CSCC[C@@H](O)C(=O)NCCc1nc(C)cs1 222400603 TULJMERLKDJZGE-SECBINFHSA-N 274.411 1.224 0 50 CDAA Cc1nc(-c2cc(C(F)(F)F)nn2C)n(CCCO)n1 1857670120 UKFSQWIUXVKUJD-UHFFFAOYSA-N 289.261 1.388 0 50 CDAA CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCC[C@@H]1O 122528556 HSRYAQWTUWNIRM-MJBXVCDLSA-N 268.401 1.528 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)CCC(F)(F)F 128233760 DDDKOLDXQGTRLH-ZETCQYMHSA-N 269.219 1.031 0 50 CDAA COC(=O)/C=C/CCNC(=O)C(C)(C)n1cc(Cl)cn1 1875311933 PFZWDTBXXJVKEZ-GQCTYLIASA-N 299.758 1.507 0 50 CDAA CC[C@](C)(CN)C(=O)NCc1ccc(CCN)cc1 1875337668 CIUYWYLOFADBBR-OAHLLOKOSA-N 263.385 1.179 0 50 CDAA CN1CCC[C@]2(C(=O)O)CCN(c3nccs3)C[C@@H]12 1704345264 VJNPIKGXEKFKRR-MFKMUULPSA-N 281.381 1.518 0 50 CDAA COC[C@@H](O)CN1CCC(c2noc(C3CC3)n2)CC1 364037236 SHJILPLMJITQRA-LBPRGKRZSA-N 281.356 1.134 0 50 CDAA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@H]2C[C@]2(C)C1 1772805356 LZBAAJJUNDCPKI-IAQYHMDHSA-N 275.352 1.600 0 50 CDAA O=S(=O)(c1ccc(Cl)s1)N1C[C@H]2C[C@H](O)[C@H]2C1 1772708437 BHXMPUNCPXREHO-CSMHCCOUSA-N 293.797 1.403 0 50 CDAA CO[C@@H](C)c1nnc2n1-c1ccccc1C(=O)N(C)C2 1772806862 LHGGLMQXEXZZJT-VIFPVBQESA-N 272.308 1.560 0 50 CDAA NC(=O)C1CCN(C(=S)NCCc2ccccc2)CC1 13544285 BCUISXZEVLBADG-UHFFFAOYSA-N 291.420 1.301 0 50 CDAA CCC(=O)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 15068569 QBNPVAHWGOFGIY-LBPRGKRZSA-N 283.331 1.973 0 50 CDAA C[C@@H]1CCCN(C(=O)CCCn2ccnc2)[C@@H]1CN 156717837 UTYFDRLWAWCLOX-CHWSQXEVSA-N 264.373 1.249 0 50 CDAA Cc1cc([C@H]2NC(=O)[C@H](CCF)NC2=O)ccc1F 1857529198 DPAMBDCTPARTQO-WDEREUQCSA-N 268.263 1.149 0 50 CDAA CN1CCO[C@]2(CCN(Cc3cccc4ccnn34)C2)C1 1857673573 OJJRGVKOJHGHRP-MRXNPFEDSA-N 286.379 1.241 0 50 CDAA Cc1ccccc1CC(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1857722370 GHICRCVAGCEMOP-HOCLYGCPSA-N 288.391 1.327 0 50 CDAA c1ccc(-c2nc(-c3cn4c(n3)CCNCC4)n[nH]2)cc1 1875242510 WDFNXFLJFNSBJK-UHFFFAOYSA-N 280.335 1.481 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)CC[C@@H]1N 1875243946 FODJQYPQEPOGBM-QEJZJMRPSA-N 294.370 1.627 0 50 CDAA C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cn1cnnn1 408082869 RBBFWEIBJSTFEV-UWVGGRQHSA-N 289.314 1.347 0 50 CDAA CC(C)(C)OC(=O)N1Cc2cncn2C[C@H](CO)C1 306128283 GVYNBDUBWFTAFQ-SNVBAGLBSA-N 267.329 1.242 0 50 CDAA in-vitro COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(C)nc1 225526824 WDBJMRLVFWUMFX-MCIONIFRSA-N 288.347 1.804 0 50 CDAA CC[C@@H]1C(=O)NCCN1C(=O)c1cc(C(C)C)nn1CC 113219408 SIXJXXALUAUJQN-GFCCVEGCSA-N 292.383 1.377 0 50 CDAA Cc1c[nH]ccc1=NC(=O)N(C)C[C@@H]1CCn2ccnc2C1 328629353 OSOIQBSDGVGDSO-CYBMUJFWSA-N 299.378 1.735 0 50 CDAA O=C(c1ccnc(-c2ncc[nH]2)c1)N1CCO[C@@H](C2CC2)C1 645991527 ISTNCEXSRIBHRZ-CQSZACIVSA-N 298.346 1.723 0 50 CDAA 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COC1CC(C(=O)O)(N(C)C(=O)c2cc(C)sn2)C1 1875393503 HKWKTVIEOFFRGH-UHFFFAOYSA-N 284.337 1.156 0 50 CDAA Cn1cc2c(n1)C[C@H](C(=O)N1CCC[C@]13CCOC3)CC2 1875310311 MDTOFEBVCBWZJS-MLGOLLRUSA-N 289.379 1.307 0 50 CDAA CC(C)c1ncnn1Cc1nnc([C@@H]2CCCOC2)o1 886081906 DPGNSWKTCNOSPK-SNVBAGLBSA-N 277.328 1.727 0 50 CDAA COCc1nc(C)cc(N2CC[C@@H](c3ccon3)C2)n1 1775989831 SMZMNFHCTLPFLW-LLVKDONJSA-N 274.324 1.913 0 50 CDAA O=C(Nc1nc2c(s1)CCCCC2)[C@H]1C[C@H](O)CN1 150861015 JVHYJAIIWFJBIA-WCBMZHEXSA-N 281.381 1.073 0 50 CDAA CNc1nc(C(=O)NCCc2ccccn2)cs1 153766143 RUJVTDQBQVXUFD-UHFFFAOYSA-N 262.338 1.552 0 50 CDAA N[C@H](CNC(=O)c1cc(-c2ccccc2)on1)C1CC1 261973007 USJZYANJAYNPGR-GFCCVEGCSA-N 271.320 1.809 0 50 CDAA O=C(O)c1cnc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 263505384 LWYGTWYABWEFSZ-GGZOMVNGSA-N 275.308 1.544 0 50 CDAA CN(C)CC[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 299784214 LLNJXQBBFMGMNR-CYBMUJFWSA-N 278.400 1.533 0 50 CDAA Cc1cnc(N2CCC3(CCN(C)CC3)C2)nc1N 65493182 BHKNZZBXKTWXAS-UHFFFAOYSA-N 261.373 1.289 0 50 CDAA Cn1nccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 335961211 ULTKNEYLJHQEEM-LSDHHAIUSA-N 275.327 1.867 0 50 CDAA CC(C)(C)c1nnc(NCCN2CCCOC2=O)o1 91860070 DVFPUZPGEIEBRB-UHFFFAOYSA-N 268.317 1.621 0 50 CDAA COCC1(CNC(=O)[C@H]2CC23CCNCC3)CCC1 382010433 MZHFWVQUZFSBBX-GFCCVEGCSA-N 266.385 1.309 0 50 CDAA CC(C)(C)c1nnc(CN2CCNC(=O)CC2(C)C)o1 931207783 RRPMFAFYOKKHIU-UHFFFAOYSA-N 280.372 1.468 0 50 CDAA NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 442662 SQKJRTVGTVKOTB-NXEZZACHSA-N 288.303 1.391 0 50 CDAA N[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3)c2Cl)C1 2325768313 BUINWYKBPSWTSA-SNVBAGLBSA-N 290.754 1.699 0 50 CDAA COc1cc(CCNC2=NCCCCN2)ccc1O 849216131 VSAXGWFBPJXKQD-UHFFFAOYSA-N 263.341 1.272 0 50 CDAA CCc1c[nH]nc1CN=c1ccc2c(C)nn(C)c2[nH]1 2325802677 UBESQKOBQVVVQP-UHFFFAOYSA-N 270.340 1.596 0 50 CDAA Cc1cc(C(=O)N[C@H]2CC[C@H](c3nc(=O)o[nH]3)C2)c(C)o1 2325821871 ITEUQNKEWUOCKR-UWVGGRQHSA-N 291.307 1.639 0 50 CDAA COCc1nccc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1 893525474 BFGXIWVZMLUELW-LLVKDONJSA-N 299.396 1.027 0 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CSCC[C@H]1c2nc[nH]c2CCN1Cc1cncn1C 67850336 NHRFUHUFQLIPER-ZDUSSCGKSA-N 291.424 1.996 0 50 CDAA C[C@H](Oc1ccc(/C=C2/SC(=N)NC2=O)cc1)C(=O)O 23128356 QSNBNPUPQCVDPS-FSEMZKDTSA-N 292.316 1.677 0 50 CDAA Cc1nc(N)sc1CC(=O)Nc1cnc2n1CCCC2 67803329 JGMICJBZXLEKNT-UHFFFAOYSA-N 291.380 1.748 0 50 CDAA CCNc1nc(C(=O)N[C@H]2CC[C@H](O)CC2)cs1 249399716 SLEOBPOJNOTHKM-KYZUINATSA-N 269.370 1.608 0 50 CDAA CC(=O)NCCc1cn(-c2cccc([C@@H](C)O)c2)cn1 65491337 GPWGCOWJHFIGGL-LLVKDONJSA-N 273.336 1.604 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2CCOCC(F)(F)F)n1 328616836 CCXIHORUBHLTNP-RKDXNWHRSA-N 295.261 1.065 0 50 CDAA COC[C@H](C)NCc1nc(Cc2cccs2)no1 65404564 CKCRLNOZZJAPQV-VIFPVBQESA-N 267.354 1.846 0 50 CDAA Cc1noc([C@H](N[C@@H]2CCO[C@@H]2C)C2CCOCC2)n1 328622615 IODLDIFXHDWEEN-OASPWFOLSA-N 281.356 1.613 0 50 CDAA CNC(=O)C[C@H](C)N(C)C(=O)c1cc(C)nc(C)c1 215857886 KKSMGZPURNWCPE-NSHDSACASA-N 263.341 1.295 0 50 CDAA Cc1noc(C)c1[C@H](C)CNC(=O)c1c[nH]ccc1=N 423882504 OLMMPFQWWOHEOT-MRVPVSSYSA-N 274.324 1.633 0 50 CDAA COc1cc(N2CCC(Cn3ccnc3)CC2)nc(N)n1 32597876 HJQJZYRJQXWOMJ-UHFFFAOYSA-N 288.355 1.181 0 50 CDAA Cc1cc2ncn(CC(=O)NC[C@@H]3CCCO3)c2cc1C 32497900 GGKGUDNMARMHGK-ZDUSSCGKSA-N 287.363 1.948 0 50 CDAA CCOC[C@H]1CCCN(C(=O)[C@H]2CCCC(O)=N2)C1 328764101 GATVOPJOQAGSPS-NWDGAFQWSA-N 268.357 1.771 0 50 CDAA Cc1nsc(I)c1C(N)=O 219533218 AMETTYMNVLHBJL-UHFFFAOYSA-N 268.079 1.155 0 50 CDAA Cn1ccnc1[C@@H](O)CNc1cccc(C(F)(F)F)n1 32520255 GLDNHDOUXMYCFI-QMMMGPOBSA-N 286.257 1.979 0 50 CDAA COc1cc(C(=O)CN)c(Br)cc1O 37245909 WIQYQVFLCJJVOD-UHFFFAOYSA-N 260.087 1.305 0 50 CDAA O=C(NCc1ccncc1)C(=O)Nc1ccc2c(c1)OCO2 37867501 QRFFZEZWKYUIKR-UHFFFAOYSA-N 299.286 1.065 0 50 CDAA Cc1sccc1CC(=O)N1CCO[C@@H](c2ncon2)C1 329961465 RPVFOZBFBIEGJS-LLVKDONJSA-N 293.348 1.582 0 50 CDAA O=C1C=C(Br)C(=O)N1Nc1ccccc1 71781539 CLCWPOVSPVLNCE-UHFFFAOYSA-N 267.082 1.661 0 50 CDAA C[C@@H]1CCN(C(=O)c2cccc(C(N)=O)c2)[C@@H](C(=O)O)C1 125012615 GELFSLHJYHUMNM-BXKDBHETSA-N 290.319 1.111 0 50 CDAA Cn1cc(-c2cncc(C(=O)NCc3ccncc3)c2)cn1 363505180 UECRHFXOOWWZIF-UHFFFAOYSA-N 293.330 1.807 0 50 CDAA CCCc1nc([C@H]2CN(Cc3n[nH]cc3C)CCO2)n[nH]1 365682765 VWLVLXZUWCREOC-GFCCVEGCSA-N 290.371 1.362 0 50 CDAA CC[C@H](NC(=O)N1CC[C@H](C(=O)N(C)C)C1)[C@H]1CC1(C)C 331934968 RBPKVYTZEIMBQU-XQQFMLRXSA-N 295.427 1.931 0 50 CDAA COc1ccsc1S(=O)(=O)NCc1cccc(N)c1 158287010 SDVQNDDMAQZLNI-UHFFFAOYSA-N 298.389 1.817 0 50 CDAA CCc1ccc(-n2ccc3c(nnc4ncnn43)c2=O)cc1 71385002 HRAWWKGBMOZQQO-UHFFFAOYSA-N 292.302 1.386 0 50 CDAA CNC[C@@H]1CCCN(C(=O)COc2ccc(F)cc2F)C1 237175273 ZRNLHNSIKXLWIC-NSHDSACASA-N 298.333 1.802 0 50 CDAA CN1CCN(C(=O)COc2cccc3c2CCCC3)CC1 72115894 YWATVOWMAWYLNF-UHFFFAOYSA-N 288.391 1.718 0 50 CDAA CN(CCC(=O)O)C(=O)c1csc(-c2cnn(C)c2)n1 237240151 RATIQKUQXDPXEJ-UHFFFAOYSA-N 294.336 1.090 0 50 CDAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C(=O)O)c1 237307093 QVWUXEQNNBUQTK-BFHYXJOUSA-N 289.331 1.874 0 50 CDAA Cc1ccc(OC[C@@H](C)NS(C)(=O)=O)cc1C 71375401 CTBPLZKWJISWKA-LLVKDONJSA-N 257.355 1.620 0 50 CDAA Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN[C@@H](C)C1 237530923 KAPXUQPATYIGRR-LBPRGKRZSA-N 298.390 1.923 0 50 CDAA CO[C@@H](C)C(=O)N1CCN[C@@H](c2cccc(Cl)c2)C1 334199672 MRYIKNZMXUZQFF-GXFFZTMASA-N 282.771 1.848 0 50 CDAA Cc1ccc(-c2cc(C(=O)N3CC[C@H](C(=O)O)C3)[nH]n2)cc1 237703437 WPWBNIRNGXCTEH-LBPRGKRZSA-N 299.330 1.932 0 50 CDAA Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3CCCN3)cc2)n1 237833107 NRXMMZHBFDEFFL-CYBMUJFWSA-N 298.346 1.436 0 50 CDAA O=C(NCC1CCN(c2ccncc2)CC1)c1cnccn1 70928307 PMVSJOVEHUYVJB-UHFFFAOYSA-N 297.362 1.518 0 50 CDAA CC(C)CCC[C@H]1CN(Cc2c[nH]c(=O)[nH]c2=O)CCO1 71764662 AQUWADRQKWQFOZ-ZDUSSCGKSA-N 295.383 1.090 0 50 CDAA O=C(N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccnc(Cl)c1 521394768 YBZHPCRGNUBDCO-GHMZBOCLSA-N 293.754 1.618 0 50 CDAA CCC[C@]1(CO)CCCN(C(=O)c2cc(C)nc(N)n2)C1 223052307 YHZBBDIAGJWSFJ-HNNXBMFYSA-N 292.383 1.382 0 50 CDAA Cc1ccncc1CN1CCC[C@@](O)(Cn2ccnn2)C1 284678662 ZINUCFGMAMDUSE-HNNXBMFYSA-N 287.367 1.009 0 50 CDAA CCc1cccnc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 285166849 GYESORJLQALTCU-KBPBESRZSA-N 289.379 1.189 0 50 CDAA CCOCC(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 223167585 FGWOCJUUWYXZAS-FSDCSDTHSA-N 289.375 1.785 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)c1ccncc1O 221398195 REKHLBIAJOCTBM-LLVKDONJSA-N 264.325 1.818 0 50 CDAA Cc1scnc1CSc1nnc(CN)n1C 426580943 IXRFUJGMVQDHBX-UHFFFAOYSA-N 255.372 1.331 0 50 CDAA CN(C)C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 176969816 YQCDMHNWMWMWCD-UHFFFAOYSA-N 285.388 1.999 0 50 CDAA CC1(C)CN(CCNS(C)(=O)=O)Cc2ccccc2O1 288758754 HAQOMCXGUJOCIM-UHFFFAOYSA-N 298.408 1.209 0 50 CDAA CC(C)c1cc(C(=O)NCCN2CCCC2)on1 91575130 PWSNSYNMYSWWBK-UHFFFAOYSA-N 251.330 1.624 0 50 CDAA NC(=O)COc1cccc(-c2nc([C@@H]3CCOC3)no2)c1 96137857 GFGBVEAYEXZKCP-SNVBAGLBSA-N 289.291 1.105 0 50 CDAA Cc1ccc2[nH]cc(-c3nc(C(=O)N(C)C)n[nH]3)c2c1 426612575 HKLHVHRTZDWZDH-UHFFFAOYSA-N 269.308 1.963 0 50 CDAA CCn1ccc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)n1 613661648 QVUGHOMZOHHHOC-ZYHUDNBSSA-N 250.346 1.116 0 50 CDAA CN1C(=O)CN(Cc2ncccn2)C(=O)c2ccccc21 95521970 NHQOMMRHQPFGSB-UHFFFAOYSA-N 282.303 1.095 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 179220578 RMRZSEOCIVCHFB-JSGCOSHPSA-N 299.378 1.467 0 50 CDAA Cc1cccc([C@H](C(=O)NCCCO)N(C)C)c1 95372917 KRPXPCVOTQVRRT-CYBMUJFWSA-N 250.342 1.096 0 50 CDAA CCN1C[C@@H](c2nc(CSC)no2)CCC1=O 96132924 ORUHREAJCHXGOS-QMMMGPOBSA-N 255.343 1.659 0 50 CDAA CCCN(CCOC)C(=O)c1[nH]nc(CC)c1C 97532107 DUBLFWNRXSMHCG-UHFFFAOYSA-N 253.346 1.779 0 50 CDAA COc1c[nH]c(CN2CC[C@](C)(O)C(C)(C)C2)cc1=O 91877253 HHHLRFFJFOJZSD-HNNXBMFYSA-N 280.368 1.366 0 50 CDAA Cc1nccn1CCN1C(=O)COc2cccnc21 95357739 VVVPWPKAWVSNNF-UHFFFAOYSA-N 258.281 1.012 0 50 CDAA NCC[C@@H]1CN(Cc2cccc3[nH]ccc23)CCO1 97785216 UGPBYYPGBIBMOL-CYBMUJFWSA-N 259.353 1.718 0 50 CDAA COc1ccc2c(c1)CCN(Cc1cn[nH]c1C(=O)O)C2 97295247 PQBKRSUOBWKWQH-UHFFFAOYSA-N 287.319 1.675 0 50 CDAA OCCn1ncnc1-c1ccc(CN2CCCCC2)cc1 91365087 LMRFEGKWUZSEJE-UHFFFAOYSA-N 286.379 1.923 0 50 CDAA CC(C)C[C@@H]1CN(C(=O)Cn2ccc(=O)cc2)CCO1 244866365 VUURSKCAIUYBTE-CQSZACIVSA-N 278.352 1.122 0 50 CDAA Nc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)cn1 244887821 YPCNRHPEJPBHBP-LZWOXQAQSA-N 297.358 1.906 0 50 CDAA CN1N=C2C3CCN(CC3)[C@H]2[C@H]1c1ccc2c(c1)OCO2 244899849 ZRLAKDQKFWWAAZ-HZPDHXFCSA-N 285.347 1.852 0 50 CDAA CSCc1noc(CN2CCC[C@@H]2c2nc(C)n[nH]2)n1 252503721 VGFUZHXRHIXXKB-SECBINFHSA-N 294.384 1.696 0 50 CDAA CCn1ncc(Cl)c1C(=O)NC1(CCO)CCCC1 623026504 KXTVYEIXRGXORI-UHFFFAOYSA-N 285.775 1.981 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)COCCOc2ccccc2)C1 299741229 DXWMLPNDUZBLSV-LBPRGKRZSA-N 293.319 1.015 0 50 CDAA Cc1ccc2c(c1)c(CNC(=O)C1CCOCC1)nn2C 534636305 ICLPPPUFZLDPED-UHFFFAOYSA-N 287.363 1.925 0 50 CDAA CC(C)C[C@@H](NC(=O)Nc1cnns1)c1ncnn1C 299788165 SBFSCPNNAVCTRG-MRVPVSSYSA-N 295.372 1.576 0 50 CDAA CCCn1nc(C(C)C)nc1CN1CCC(C(N)=O)CC1 823033091 JWCUTSKCQAPGSX-UHFFFAOYSA-N 293.415 1.509 0 50 CDAA CCC1(CC)CN(CCn2cnnc2C)CCO1 822679077 XEBARDYGTDKCRH-UHFFFAOYSA-N 252.362 1.478 0 50 CDAA CN1CCCN(CC(=O)NCCCC[C@@H]2CCCO2)CC1 584899840 OBOXFFVECNZRTD-OAHLLOKOSA-N 297.443 1.089 0 50 CDAA COCCCCN1CCN(C(=O)[C@@H](C)N2CCCC2)CC1 584901060 SZENDMJJYAEVKT-OAHLLOKOSA-N 297.443 1.042 0 50 CDAA COc1c(F)cccc1C(=O)N1CCC[C@H](O)CC1 584895237 FAIAJRXMKYFWSN-JTQLQIEISA-N 267.300 1.821 0 50 CDAA CC(C)(C)C(=O)S[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-] 585091585 CLOUXAYHCQJGTA-BZNPZCIMSA-N 291.325 1.035 0 50 CDAA Cc1cccnc1[C@@H](C1CC1)n1cnc2nccnc2c1=O 584894096 XALQFMFEEKLRSC-CQSZACIVSA-N 293.330 1.889 0 50 CDAA COCCn1ccnc1CN(C)Cc1cscn1 584901473 AFTVAYYQGGPWQB-UHFFFAOYSA-N 266.370 1.618 0 50 CDAA CC(C)c1nnc(NCCN2CCC[C@@H](CO)C2)s1 670435554 YQYUEYDRQLFCBM-LLVKDONJSA-N 284.429 1.778 0 50 CDAA CN(CC(=O)NCc1cncn1C1CC1)Cc1ccncc1 670440183 GNGIZHGVXZKAGQ-UHFFFAOYSA-N 299.378 1.361 0 50 CDAA Cc1cc(C[C@H](C)N=c2nn[nH]n2-c2ccccc2)n[nH]1 1336548048 GWIXPIBPWLJAJT-JTQLQIEISA-N 283.339 1.159 0 50 CDAA Cc1nc([C@@H](N)C2(O)CC(CF)(CF)C2)cn1C 958527537 BZWOJBTZFIGKTM-SNVBAGLBSA-N 259.300 1.179 0 50 CDAA O=C(c1ccc(O)cn1)N1CC[C@H](n2cccn2)C1 1450436900 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CO[C@@H]1CCC[C@@]12CCCN(C(=O)C1=NNC(=O)CC1)C2 1704302360 IBUJRRRFPDXHKO-DOMZBBRYSA-N 293.367 1.060 0 50 CDAA CCN(CC(N)=O)C(=O)[C@H](C)c1ccc(OC)cc1 225604733 SXCXYEPEBPIAHP-SNVBAGLBSA-N 264.325 1.133 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)c1ccccc1C(=O)O 5044184 QBRKHRLMCWMZTQ-UHFFFAOYSA-N 259.265 1.977 0 50 CDAA COC[C@@H]1CCCCN1c1cc(C)nc2ncnn12 583793631 QGXHVSPGKHHQFY-NSHDSACASA-N 261.329 1.438 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)ccc1F 129376935 AQCCNGQGZDYTMB-LLVKDONJSA-N 281.283 1.450 0 50 CDAA Cc1ccnc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 12324444 HLZMEGTZACIMMR-UHFFFAOYSA-N 280.291 1.618 0 50 CDAA Cc1cc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)c(C)o1 12574209 WXNSNJHNJWNHPF-MRXNPFEDSA-N 290.363 1.981 0 50 CDAA NC(=O)Cc1cccc(OC[C@H]2CC3CCN2CC3)c1 1857693931 SSYDTXYQPCFZJU-CQSZACIVSA-N 274.364 1.578 0 50 CDAA CCN=c1ncc(-c2nccn2-c2cnn(CC)c2)c[nH]1 1857694715 VBFRJJGRXPSFGY-UHFFFAOYSA-N 283.339 1.399 0 50 CDAA CC[C@@H]1C=CCN1C(=O)c1nc(=O)c2ccccc2[nH]1 1857705565 MOETXFSYFOWDNF-SNVBAGLBSA-N 269.304 1.714 0 50 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CC(C)(C(=O)N1CC[C@H](C(F)(F)F)C1)S(C)(=O)=O 888009603 ILCJCOZBCHVTTN-ZETCQYMHSA-N 287.303 1.220 0 50 CDAA Cc1nocc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 888094818 CXLXMPJCAUHHEY-QWHCGFSZSA-N 290.323 1.446 0 50 CDAA CO[C@@](C)(CO)CNC(=O)C[C@@H](C)Cc1cccc(F)c1 888094075 FERKURHLRCABQV-BLLLJJGKSA-N 297.370 1.908 0 50 CDAA C=CC(=O)N1CC[C@H](S(=O)(=O)Cc2ccccc2)C1 1776006171 OJAGJCMSFAVJMK-ZDUSSCGKSA-N 279.361 1.388 0 50 CDAA COc1ccc(C(=O)N2CCCN(C)CC2)cc1OC 20478643 IWCVYSUFIIRJEL-UHFFFAOYSA-N 278.352 1.482 0 50 CDAA CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1nccs1 177308001 HZZFZDABPJCDKG-NEPJUHHUSA-N 294.424 1.640 0 50 CDAA CNc1cc(C(=O)NCCc2ccccn2)ccn1 50722059 HCWPGMPWSAOTDS-UHFFFAOYSA-N 256.309 1.491 0 50 CDAA Cc1cc(C)c(OCC(=O)N2CC[C@H](CN)C2)c(C)c1 178566040 OWKQMLGOBQSHSQ-CQSZACIVSA-N 276.380 1.798 0 50 CDAA COCC1(CNC(=O)c2cc(O)ccc2F)CC1 534575203 YPPJSPJCOMYEEE-UHFFFAOYSA-N 253.273 1.688 0 50 CDAA Cc1nc(=Nc2ncc(C)c(N(C)C)n2)s[nH]1 2100540054 BEYLZPHLDPYNLW-UHFFFAOYSA-N 250.331 1.176 0 50 CDAA C[C@H]1CCN2N=C(C(=O)N[C@H]3CCc4ccccc43)NC2=N1 2325804666 DFJILORDQNSBRP-GWCFXTLKSA-N 297.362 1.157 0 50 CDAA N=c1nc(CSCC[C@@H]2C[C@H]3CC[C@H]2C3)[nH]c(=N)[nH]1 2325852724 PWYZEDSLNYBPAW-LPEHRKFASA-N 279.413 1.756 0 50 CDAA O=C(NC(=S)N[C@H]1CCSC1=O)c1ccccc1 315088 WMHFSUFMUFBHBR-VIFPVBQESA-N 280.374 1.323 0 50 CDAA COC(=O)C(=CNc1ccc2c(c1)ncn2C)C(=O)OC 2532338 FWWXTUBUYNAWNL-UHFFFAOYSA-N 289.291 1.215 0 50 CDAA COC(=O)[C@H]1CC12CCN(Cc1cnsc1)CC2 2356152977 LBCLWHOJHQYPEA-LLVKDONJSA-N 266.366 1.918 0 50 CDAA CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 6731271 WWQZXHCQVUBDPY-GFCCVEGCSA-N 298.364 1.054 0 50 CDAA COCCNC(=O)c1nc(-c2ccc(Cl)cc2)no1 6747322 QOMSXHRADCSJKX-UHFFFAOYSA-N 281.699 1.766 0 50 CDAA Cc1ccc(OCc2nnc(S)n2N)cc1C 6815159 ZIJJGGQWLOJEJS-UHFFFAOYSA-N 250.327 1.476 0 50 CDAA COc1ccccc1[C@H]1CC(=O)Nc2nc(C)[nH]c(=O)c21 8971615 KAFXPJWECMUYMR-SNVBAGLBSA-N 285.303 1.561 0 50 CDAA CCOC(=O)[C@@H]1C(=O)N[C@@]2(C)Oc3ccccc3[C@H]1[C@H]2C 100629800 ZYFKMXQXXALDPP-MQBJUPHKSA-N 289.331 1.824 0 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CDAA CCn1c(C)cc(C)c(C(=O)NCc2ccccn2)c1=O 215405806 LNUJXPVJPBJVFI-UHFFFAOYSA-N 285.347 1.810 0 50 CDAA CCc1cc(C)c(C(=O)NCc2nnc(S)n2C)o1 122239075 VWHIJXRHWHCBTL-UHFFFAOYSA-N 280.353 1.498 0 50 CDAA CNC(=O)[C@@H]1CCN(C(=O)c2c[nH]c3cccc(F)c23)C1 1363453150 KPOHQYOOLYRGOS-SECBINFHSA-N 289.310 1.515 0 50 CDAA C[C@H]1[C@@H](N)CCN1C(=O)c1ccccc1CN(C)C 335507900 XJXAAFKGIRUXKD-FZMZJTMJSA-N 261.369 1.310 0 50 CDAA CN[C@H]1CCCN(C(=O)/C=C/c2csc(C)n2)C1 151007562 NXIBKLITLBFQFJ-QRGHLMKCSA-N 265.382 1.675 0 50 CDAA C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccnn1C)C[C@@H](C)O2 363927933 MRPKBWOGLYADHI-UHIISALHSA-N 294.355 1.220 0 50 CDAA COC(=O)[C@H](O)Cc1cc(Cl)ccc1C(=O)O 71781996 PINXBVQRATXLAP-SECBINFHSA-N 258.657 1.115 0 50 CDAA Cc1ccc(CCC(=O)NC[C@H]2COCCO2)cc1C 215021980 YNFLVBJUKALRHC-HNNXBMFYSA-N 277.364 1.768 0 50 CDAA Cc1cc(C(=O)N2CCS[C@H](C)CC2)nn1C 335859159 HIFCMWBGRQMXDC-SNVBAGLBSA-N 253.371 1.696 0 50 CDAA C[C@H]1CC(=O)Nc2ccccc2N1C(=O)[C@H]1CCCO1 31903343 ZQMPDDILPJSGAQ-GXFFZTMASA-N 274.320 1.929 0 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C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)NCCN 237372235 ASUIOCDEBMIAHI-GFCCVEGCSA-N 299.374 1.919 0 50 CDAA Cc1ccn2c(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3O4)nnc2c1 333727295 WBBSJFAFBVBZGU-QJPTWQEYSA-N 286.335 1.934 0 50 CDAA C[C@@H]1CN(c2cc(NC3CC3)ncn2)CC[S@@](=O)C1 334052400 SNVPGGBRDVHKIB-GIGQVBGESA-N 280.397 1.256 0 50 CDAA Cc1ccc(CN2CCN[C@@H](C(=O)NC3CC3)C2)cc1C 72162355 BUFULMBHTROTJG-MRXNPFEDSA-N 287.407 1.356 0 50 CDAA CC(C)N(C)C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O 334780177 UCVIUVNYVQFIGQ-QWRGUYRKSA-N 253.346 1.190 0 50 CDAA CSc1cccc(CN(C)C(=O)C[C@@H]2COCCN2)c1 72168000 BSPQLVGZTLDGOA-CYBMUJFWSA-N 294.420 1.745 0 50 CDAA C[C@@]1(F)CNCCN(C(=O)CCc2cscn2)C1 335341192 GMRCAQVGXYEQOY-GFCCVEGCSA-N 271.361 1.236 0 50 CDAA CO[C@H](CN1C[C@@H](O)C[C@@H]1CO)c1ccc(Cl)cc1 241383453 MVLKNDFMRJKBSU-HZSPNIEDSA-N 285.771 1.455 0 50 CDAA O=C(O)Cc1cn2cc(Br)sc2n1 196576696 LLDVSEGUGJLVTG-UHFFFAOYSA-N 261.100 1.785 0 50 CDAA O[C@@]1(Cn2ccnn2)CCCN(CCc2ccccc2)C1 285451755 JQDPNFZBNSIUCW-INIZCTEOSA-N 286.379 1.348 0 50 CDAA Cc1cnc(CNC(=O)CC[C@@H](C)N2CCCC2)[nH]1 426489391 RDGMNXXEQUEALB-GFCCVEGCSA-N 264.373 1.599 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)c2cccc(OCCN)c2)[nH]1 426662453 QQOMSFDRGBNTEZ-LLVKDONJSA-N 288.351 1.547 0 50 CDAA CCN1CCCC[C@@H]1CNc1cncc(C(=O)N(C)C)n1 429198047 MDBLHIQLARHGIC-GFCCVEGCSA-N 291.399 1.465 0 50 CDAA COC[C@@H](NC(=O)c1ncccc1C)c1ccccn1 223390858 ZKPVOUYFMCQACO-CYBMUJFWSA-N 271.320 1.903 0 50 CDAA Cc1ccc(-c2noc(CCc3c(C)n[nH]c3C)n2)nn1 91877218 QHBISGYDKOKFSL-UHFFFAOYSA-N 284.323 1.960 0 50 CDAA CC(C)(C)N1C[C@@H](C(=O)NCCc2cscn2)CC1=O 92028966 TVBNLHCCYTVFFV-JTQLQIEISA-N 295.408 1.449 0 50 CDAA CC(C)c1nccc(C(=O)N2CCn3cncc3C2)n1 426677760 AYYDIDUNPOANNO-UHFFFAOYSA-N 271.324 1.453 0 50 CDAA CCCOCCNC(=O)c1cnc(C(C)C)nc1 97775877 FREMWBJGTXEZCT-UHFFFAOYSA-N 251.330 1.756 0 50 CDAA CC(C)N1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1 426486139 ZBRAFNFPMMFIKJ-UHFFFAOYSA-N 286.379 1.658 0 50 CDAA CC[C@H](C)Oc1cccc(CNC(=O)CN(C)C(N)=O)c1 426548456 GETKSLTWSMLFQP-NSHDSACASA-N 293.367 1.491 0 50 CDAA Cc1ncc(S(C)(=O)=O)c(NCc2ccc(C)o2)n1 95376366 KDPSCLUDWVYIQG-UHFFFAOYSA-N 281.337 1.702 0 50 CDAA Cn1nc(NC(=O)c2cc(C(N)=O)cs2)cc1C1CC1 290516112 KAGBTHOIIUIVKV-UHFFFAOYSA-N 290.348 1.710 0 50 CDAA COc1ccc2c(CC(=O)N3CC[C@H](CN)C3)coc2c1 178556288 GDMHYSYXAQOADY-LLVKDONJSA-N 288.347 1.791 0 50 CDAA CNC(=O)C[C@H](C)N(C)C(=O)c1cc(CC(C)C)nn1C 92038955 YOAXGPLFUMOLHT-NSHDSACASA-N 294.399 1.215 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)O)=NO[C@H]2C1 95743159 ZQXOLUFBNCMDKL-YUMQZZPRSA-N 270.285 1.083 0 50 CDAA CC[C@@]1(C)C[C@H]1C(=O)N1CCC(OCCCN)CC1 162205082 GRAFLUADAISXAD-ZFWWWQNUSA-N 268.401 1.779 0 50 CDAA CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2OS1(=O)=O 96838041 QTTRZKVOSCVFJO-BDAKNGLRSA-N 277.342 1.810 0 50 CDAA CC1(C)CN(c2nnc3ccccn23)CC[C@]1(C)O 91831106 HWTITJOMAPVNTK-AWEZNQCLSA-N 260.341 1.717 0 50 CDAA COc1cccc(OC)c1C(=O)N[C@H](C)c1nnc(C)o1 534158455 BOVJBVKXYGFXOH-MRVPVSSYSA-N 291.307 1.886 0 50 CDAA C[C@@H]1CN(C(=O)C(C)(C)O)C[C@H](c2nc(C3CC3)no2)O1 623173522 NDVBSMOHUUEVHC-PSASIEDQSA-N 295.339 1.006 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)CC(C2CC2)C2CC2)CCO1 299752736 VFVWKHWHPVFZLI-GFCCVEGCSA-N 281.352 1.515 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc(-n3cccn3)cc2)C1 299743034 LQMYYLWMFXKJLL-INIZCTEOSA-N 299.330 1.809 0 50 CDAA CCn1nc(CC(C)C)cc1C(=O)NCCn1ccnn1 534663429 ZRXPIZBPRAKBSI-UHFFFAOYSA-N 290.371 1.123 0 50 CDAA CCc1nc(C)c(CNC(=O)CCc2ccnn2C)s1 534648736 SZBQOTVUPPRKBF-UHFFFAOYSA-N 292.408 1.996 0 50 CDAA O=C(NC1CCC1)c1ccc(-c2cnn(CCO)c2)cc1 534589053 JSROXURJLLKPFT-UHFFFAOYSA-N 285.347 1.825 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)NCCC(F)(F)F)C2 1239289412 ZBUHOIPILWMFDE-CBAPKCEASA-N 251.252 1.072 0 50 CDAA O=C(C[C@@H]1CCCOC1)NCC1(CN2CCCC2)CC1 534584951 WXOISIRIOHDZOG-AWEZNQCLSA-N 280.412 1.795 0 50 CDAA c1nc(N2CCC[C@H](c3nc[nH]n3)C2)c2cc[nH]c2n1 363604782 SKESJZPUFKGRRE-VIFPVBQESA-N 269.312 1.460 0 50 CDAA CCCCc1ccc(NC(=O)NC[C@]2(O)CCNC2)cc1 299783698 XPJKEYPNIZRLCU-INIZCTEOSA-N 291.395 1.875 0 50 CDAA O=C(CCc1cn[nH]c1)NCCCC[C@H]1CCCO1 584890382 YWTPKIBSZJFVRL-ZDUSSCGKSA-N 265.357 1.808 0 50 CDAA CCn1cncc1Cn1cnc2cc(F)ccc2c1=O 584901160 IPUIHEGEKMNEMO-UHFFFAOYSA-N 272.283 1.800 0 50 CDAA CCn1cnnc1[C@H](C)NC(=O)c1cccc2c1CCC2=O 584886387 PFXCCFHGRYHCJN-JTQLQIEISA-N 298.346 1.918 0 50 CDAA COCc1nc(-c2cc(C)n(C)n2)n(C(C)(C)C)n1 670469395 ZZRHDQJEUZWLJE-UHFFFAOYSA-N 263.345 1.888 0 50 CDAA COCc1nc(C)nn1-c1cc(=O)n(C)c2ccccc12 670452547 WCHCRDZHGCMBSW-UHFFFAOYSA-N 284.319 1.574 0 50 CDAA Fc1ccccc1OC1CCN(CCn2cnnc2)CC1 670457430 IXBNVSHJGASHOE-UHFFFAOYSA-N 290.342 1.961 0 50 CDAA C[C@@H]1C[C@@H]1n1c(-c2cnccn2)nnc1N1CCCC1 1411714893 GIWMJPGAJGQSHA-PWSUYJOCSA-N 270.340 1.916 0 50 CDAA CO[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCCC1 1411857098 PCGHLNWVOMXLCQ-GFCCVEGCSA-N 289.383 1.919 0 50 CDAA Cc1ccc([C@@H](O)CNC(=O)c2cc(F)cnc2O)o1 1417669293 WMRXZITUTDGSHB-JTQLQIEISA-N 280.255 1.291 0 50 CDAA Cn1cncc1C(=O)NC[C@H]1CCCN(c2ccncc2)C1 952986631 MMWKKDXMCHMLGO-CYBMUJFWSA-N 299.378 1.462 0 50 CDAA COc1ccc(-n2cccn2)c(CN2C[C@@H](O)[C@H](F)C2)c1 952966507 VHVZEKGUXSAZRQ-UKRRQHHQSA-N 291.326 1.396 0 50 CDAA O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1nc[nH]c2nccc1-2 629121950 UREWDIGYGIJKCX-GXSJLCMTSA-N 272.308 1.207 0 50 CDAA Cc1cccc(CCNC(=O)N2C[C@@H]3CC[C@]3(N)C2)n1 1553491140 KRLZPIJSEZSCLS-WFASDCNBSA-N 274.368 1.065 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)NCc1cccc3ncccc13)C2 1553520543 MUJQQQKHQZZJOQ-GUYCJALGSA-N 296.374 1.868 0 50 CDAA CCn1ncnc1CNCCC(=O)Nc1ccccc1C 952972916 MKCAYFNHKINXEH-UHFFFAOYSA-N 287.367 1.725 0 50 CDAA CCCN(CCc1ccccc1)C(=O)[C@@H]1C=CCN1 952979271 IEOLHNWTGCRZCM-HNNXBMFYSA-N 258.365 1.996 0 50 CDAA O=C(Nc1cnn(C(F)F)c1)[C@H]1C[C@H]2CC[C@H]1O2 408191740 HPFMYVXFVUTHLR-HRDYMLBCSA-N 257.240 1.784 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CO[C@@H](CO)C2)C1 95698553 QFZWHSBESNSOMV-BXUZGUMPSA-N 271.357 1.785 0 50 CDAA in-vitro Cc1cc(C)n(CC(=O)NCC(=O)c2ccco2)n1 170594288 AKWOVLPKJXOVDZ-UHFFFAOYSA-N 261.281 1.092 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)N1C[C@H]2CCC[C@@H]2C1 279020337 UVKZVLXTKRQMMF-BFHYXJOUSA-N 288.395 1.887 0 50 CDAA CCCNC(=O)C(=O)Nc1nc(-c2ccco2)cs1 170618522 YKMLKKZMCXEZJK-UHFFFAOYSA-N 279.321 1.868 0 50 CDAA C[C@]1(c2ccccc2)CCN(C(=O)CN2CCNCC2)C1 638026885 RJGBDLQTOFMKQJ-KRWDZBQOSA-N 287.407 1.082 0 50 CDAA CCc1ccc([C@@H]2CN(c3nccn(C)c3=O)CCO2)cc1 189590582 CXPVCLOSOJIIEB-HNNXBMFYSA-N 299.374 1.921 0 50 CDAA Cn1ncc2c1CC(C)(C)CN([C@@H]1CCCNC1=O)C2 664879245 ZOHACQVHBNKMSJ-GFCCVEGCSA-N 276.384 1.083 0 50 CDAA CC(C)n1cc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1 576703636 ZLGNVGQYESUFNY-JTQLQIEISA-N 265.313 1.401 0 50 CDAA C[C@H](CNc1ncc(Cl)cn1)c1nncn1C 192869986 XVRKZSCDFSRSEQ-SSDOTTSWSA-N 252.709 1.474 0 50 CDAA C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccnn1C 193076593 TUNDVFYBRGGTEG-GFCCVEGCSA-N 287.367 1.825 0 50 CDAA O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1CCS(=O)(=O)C1 194280316 OYKHOYGBANEQKP-LLVKDONJSA-N 293.348 1.477 0 50 CDAA C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)Cc1ccccc1 676705994 GBEAOLMHWSEVDJ-ZGMNHVEMSA-N 287.359 1.870 0 50 CDAA CCc1nc(=N[C@H]2CCc3ccccc3NC2=O)s[nH]1 585091278 QNJDKKKHYMNKFA-NSHDSACASA-N 288.376 1.888 0 50 CDAA O=C(C[C@@H]1C=CCC1)N[C@H](Cc1ccncc1)C(=O)O 655600398 FQAFYQVKBQBXFM-DGCLKSJQSA-N 274.320 1.550 0 50 CDAA CSC[C@H](C)C(=O)NCC(C)(C)[C@@]1(O)CCCOC1 585113776 JJPMBAVTEOFGMR-SMDDNHRTSA-N 289.441 1.669 0 50 CDAA Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cs1 87427785 SUODTLUGAKXHSB-NSHDSACASA-N 290.344 1.877 0 50 CDAA CN1C[C@H]2CN(Cc3cccc(C(=O)O)c3)C[C@H]2C1 97446869 DXDGQVDOHBRWNN-OKILXGFUSA-N 260.337 1.378 0 50 CDAA CCC1(CNC(=O)c2cc(=O)c(OC)cn2C)CCC1 1615550048 PRSQUCYAXZSDPQ-UHFFFAOYSA-N 278.352 1.704 0 50 CDAA Cn1ncc(C2CC2)c1CNC(=O)[C@H]1NCC12CCCC2 1615555421 FPXKUCAARFUEIF-CQSZACIVSA-N 288.395 1.446 0 50 CDAA c1cnc(N[C@@H]2CCN(Cc3cc4n(n3)CCC4)C2)nc1 1616043539 BDFDDIYAKFGLLK-GFCCVEGCSA-N 284.367 1.306 0 50 CDAA CCCn1nc(C)c(NC(=O)[C@H]2CCOC2)c1C 1506427660 LXSQCYWTPXFXLS-NSHDSACASA-N 251.330 1.885 0 50 CDAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)CCN)c1 1506420349 DHHAJBUDTDIRJB-SNVBAGLBSA-N 261.325 1.489 0 50 CDAA COc1cnc(N(C)C[C@H]2CC(=O)N(C(C)(C)C)C2)nc1 1529093951 CBQNVUBUOBXQDG-LLVKDONJSA-N 292.383 1.568 0 50 CDAA CCOC(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C 337466 YWWWGFSJHCFVOW-MRVPVSSYSA-N 257.286 1.476 0 50 CDAA in-vitro NC[C@H](C(=O)N1CCOCC(F)(F)C1)c1ccccc1 634739903 IUFRHXZIEIHPBM-LBPRGKRZSA-N 284.306 1.223 0 50 CDAA O=C(C1CC1)N1CCCN(c2cnnc(O)c2Cl)CC1 548365344 VJLZJWCVSGJBSC-UHFFFAOYSA-N 296.758 1.284 0 50 CDAA COCCO[C@H](C)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 240744120 HURWXXNARSEGHZ-AGIUHOORSA-N 271.357 1.065 0 50 CDAA Cc1ccc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)cc1 1704354895 LIVBEJLIDYBVRR-GASCZTMLSA-N 275.304 1.356 0 50 CDAA Cc1nccnc1N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704313308 IPLDXZBKCXLTBY-UKRRQHHQSA-N 276.384 1.068 0 50 CDAA O=C(CCC1CCCC1)N(CCO)Cc1ncc[nH]1 1704313386 PDVRVXVJHRERMG-UHFFFAOYSA-N 265.357 1.701 0 50 CDAA O=C(O)C[S@@](=O)CC(=O)Nc1ccc(Cl)cc1 5895488 AQNZFIZXCBNWAT-QGZVFWFLSA-N 275.713 1.112 0 50 CDAA CCN(C)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O 12090050 BDTQLUMKRLVOKC-AWEZNQCLSA-N 256.390 1.338 0 50 CDAA CSCCCNC(=O)[C@H]1CCN(c2ccccc2)C1=O 12301662 PFXXYVGRFNJUMB-CYBMUJFWSA-N 292.404 1.909 0 50 CDAA CCn1cc(C(=O)N2CCN(C3CCCCC3)CC2)cn1 19952557 FFGPSXWQNCYHEC-UHFFFAOYSA-N 290.411 1.994 0 50 CDAA Cc1ccc2nc[nH]c(=NCCn3cnc(C)c3C)c2n1 1857701714 UOIWOSYMJMVRKY-UHFFFAOYSA-N 282.351 1.681 0 50 CDAA O=C(NCCCn1ccnc1)C(Cl)(Cl)Cl 1794320 SEWPNHKKNZQZPG-UHFFFAOYSA-N 270.547 1.760 0 50 CDAA CC(C)CCC1CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1 225489913 BPXRFISPDIQYDR-KBPBESRZSA-N 268.401 1.384 0 50 CDAA CCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1OC 4235154 VXQYLXZYPLXLNR-RISCZKNCSA-N 293.319 1.698 0 50 CDAA in-vitro C[C@H](Cc1cccs1)C(=O)N1CCO[C@@H](CC(=O)O)C1 237572352 NXEWVGZLWVLRKX-MNOVXSKESA-N 297.376 1.629 0 50 CDAA COC(=O)[C@H]1CCn2c(Cc3ccccc3F)nnc2C1 260580592 XYZUKYOIVAOLBN-NSHDSACASA-N 289.310 1.743 0 50 CDAA O=C(O)[C@@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 36258859 UCCKPUHHDIGICT-GFCCVEGCSA-N 297.376 1.257 0 50 CDAA COc1cc(NC(=O)[C@@H](C(=O)O)C(C)C)cnc1OC 910802133 AQBWNYQDLAVYDK-JTQLQIEISA-N 282.296 1.394 0 50 CDAA CC(C)(CNc1cncc(-n2cncn2)n1)c1ccncc1 1262689126 PDKSCMWRNGHMEB-UHFFFAOYSA-N 295.350 1.842 0 50 CDAA Cc1nnc(C[C@@H]2CC[C@H](Nc3cccnn3)C2)o1 952890896 MLQFIBDAZBFJBT-MNOVXSKESA-N 259.313 1.991 0 50 CDAA O=C1Cc2cc(OC[C@@H]3C[N@]3C3CCC3)ccc2CCN1 1875381455 VTCQVLCRGFMRQE-HNAYVOBHSA-N 286.375 1.517 0 50 CDAA CCc1nnc(NC(=O)Cc2cnsc2)s1 1875321271 BBLJPEBNPKYWAP-UHFFFAOYSA-N 254.340 1.738 0 50 CDAA COc1cc2nn[nH]c2cc1C(=O)Nc1cccc(CN)c1 1875336943 KYWOLWRCISJCNG-UHFFFAOYSA-N 297.318 1.678 0 50 CDAA O=c1onc(Cc2ccc(F)cc2)n1CCC1COC1 1875316018 QUTIHSOFBZTTBD-UHFFFAOYSA-N 278.283 1.603 0 50 CDAA CCc1n[nH]cc1C(=O)NCc1ccc2cn(C)nc2c1 888100609 STUKFHPUWOMVLY-UHFFFAOYSA-N 283.335 1.789 0 50 CDAA Cc1cc(C)c(C(=O)NC2(CC(N)=O)CCCCC2)[nH]1 1774525329 XFBWAIGIAGPVHM-UHFFFAOYSA-N 277.368 1.940 0 50 CDAA O=C(c1cnc2[nH]cnc2c1)N1CCC[C@@H]1c1ncccn1 898967715 QRZIKUPZWDITFK-GFCCVEGCSA-N 294.318 1.725 0 50 CDAA O=C(c1ccncc1F)N1CCO[C@H](c2nccs2)C1 265903581 OMDIKUPBQRZVGN-NSHDSACASA-N 293.323 1.891 0 50 CDAA C[C@@H](CCCO)Nc1cc(N2CCCC2)ncn1 277291443 BIADDQQOBBHEII-NSHDSACASA-N 250.346 1.650 0 50 CDAA CCn1ncc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)n1 293223108 YWGAWQMBBVFETB-LLVKDONJSA-N 274.328 1.389 0 50 CDAA CCOCCC(=O)N1CCC[C@H](CC(=O)O)CC1 299742367 HJIZKJBSYWDKBW-NSHDSACASA-N 257.330 1.516 0 50 CDAA OC[C@@H]1COCCN(Cc2c(F)cccc2Cl)C1 72435696 OUPCLNTYWZASDR-SNVBAGLBSA-N 273.735 1.920 0 50 CDAA Cc1cc(CN2CCN(Cc3cscn3)CC2)ncn1 428220133 HDAWSFYBBZUAKH-UHFFFAOYSA-N 289.408 1.559 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cccc(F)c2C)C1 630255126 FYJGUNQUMFPVBJ-AWEZNQCLSA-N 281.283 1.450 0 50 CDAA O=C(Cc1ccc(Cl)cc1)N1CC[C@](F)(CO)C1 335928276 OLHFEECKMYDEMI-CYBMUJFWSA-N 271.719 1.815 0 50 CDAA CS[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](O)C1 685939582 YGSJCUZMEIPZAD-OUAUKWLOSA-N 258.387 1.437 0 50 CDAA CN1CCC[C@H](N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)C1 685939735 BBDCDEAQVMRBFP-LUKYLMHMSA-N 277.456 1.887 0 50 CDAA CN(CCN1CCOCC1)[C@H](C(=O)O)c1ccccc1 737441955 RSXYELKPLBQRDJ-AWEZNQCLSA-N 278.352 1.076 0 50 CDAA COc1ccc(OC)c(S(=O)(=O)n2nc(C)cc2C)c1 52897 XNABKIAWALLOHA-UHFFFAOYSA-N 296.348 1.754 0 50 CDAA O=C([C@@H]1CC=CCC1)N1CCO[C@H](c2cn[nH]c2)C1 2325803497 KFLWHSUBEIDQKR-YPMHNXCESA-N 261.325 1.666 0 50 CDAA O=C(O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)c1ccnc(C3CC3)n1)C2 2325807587 DXWDCJPTZVHIIM-SUZMYJTESA-N 299.330 1.455 0 50 CDAA CCSc1nnnn1-c1cccc(C(=O)O)c1 107770 PHCKERRHPVHIAV-UHFFFAOYSA-N 250.283 1.473 0 50 CDAA C[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 183606 QNPFRXDZVWZBGY-VXGBXAGGSA-N 269.366 1.626 0 50 CDAA COc1cc(N(C)C)c(NC(C)=O)cc1C(=O)O 190951 BVLBYOCOCJJVMG-UHFFFAOYSA-N 252.270 1.418 0 50 CDAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCc1ccncc1 214688 WHQJJCMFRKVKNY-VXGBXAGGSA-N 260.293 1.365 0 50 CDAA CCOc1cc(/C=C/C(=O)OC)ccc1OCC(N)=O 266223 OTRJBPZTVHNGNO-FNORWQNLSA-N 279.292 1.136 0 50 CDAA biogenic CC(C)CCOc1ccc(C(=O)NCC(=O)O)cc1 292090 WOLNIDACGLPVHC-UHFFFAOYSA-N 265.309 1.926 0 50 CDAA COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C 2534423 RWEVEEORUORBAX-VIFPVBQESA-N 269.301 1.019 0 50 CDAA COc1ccc(NC(=O)c2ccccc2CC(=O)O)cn1 2543625 WAXMHSWUSLAQPR-UHFFFAOYSA-N 286.287 1.970 0 50 CDAA Cc1cccnc1C(=O)N1CCC[C@@]12CCCNC2=O 2356169070 KFUBILFSEYGXRV-OAHLLOKOSA-N 273.336 1.275 0 50 CDAA COC(=O)C12CC3CC(C1)CC(C(=O)OC)(C3)C2 4014638 YXMDGBXGJKYMQL-UHFFFAOYSA-N 252.310 1.919 0 50 CDAA Cc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1Cl 4975621 RQSKIXQSHGDQCC-QMMMGPOBSA-N 252.701 1.487 0 50 CDAA CCn1c(CCc2ccccc2)nnc1SCC(N)=O 6741096 JEXLBXPLAXEZFF-UHFFFAOYSA-N 290.392 1.661 0 50 CDAA NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1 7616740 GLYOHKZVSNHFMA-UHFFFAOYSA-N 275.337 1.252 0 50 CDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1 100099521 BMMWPYHYAKFPJH-OKILXGFUSA-N 298.342 1.966 0 50 CDAA CCOC(=O)c1nc(C)[nH]c(=O)c1OCC(C)C 8467450 BZPAOYGBIPZFFJ-UHFFFAOYSA-N 254.286 1.290 0 50 CDAA COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 225537488 FHRISEFHPVKZIU-QWHCGFSZSA-N 296.411 1.376 0 50 CDAA O=C(N[C@H]1CCC[C@H]1O)c1cc(F)cc2nc(S)[nH]c12 133303869 OPJBXSXNLYNJTR-WCBMZHEXSA-N 295.339 1.634 0 50 CDAA O=C(NCCN1CCOCC1)[C@@H]1C[C@@H]1c1ccccc1 20510012 VMTXSOVMLKHACT-HUUCEWRRSA-N 274.364 1.239 0 50 CDAA CCc1noc(CCNC(=O)Cn2ncc3ccccc32)n1 65504952 LZRSEICSNMDUKZ-UHFFFAOYSA-N 299.334 1.341 0 50 CDAA Cn1nc(C(=O)N2CCC[C@]3(CC=CCC3)C2)ccc1=O 114438331 RQDCEHPNJCQPOW-MRXNPFEDSA-N 287.363 1.743 0 50 CDAA CCc1cnc(C)nc1N[C@@H](COC)c1ccnn1C 65502325 BUJCMYJPKFFBMV-LBPRGKRZSA-N 275.356 1.881 0 50 CDAA CS(=O)(=O)N(CCCC(=O)O)c1ccc(Cl)cc1 113875196 OBFMZHDUGXKPAP-UHFFFAOYSA-N 291.756 1.971 0 50 CDAA O=C(N=c1cc[nH]cc1)N1CCOC[C@@H]1Cc1ccccc1 348704770 QPHBADOZYSGRHK-INIZCTEOSA-N 297.358 1.979 0 50 CDAA O=C(NCc1ccncc1)N1CC[C@@H](Oc2ccncc2)C1 119034805 XTHINLVTYQIOHK-OAHLLOKOSA-N 298.346 1.840 0 50 CDAA C[C@H]1CCCN(Cc2cnc(N(C)C)nc2)[C@@H]1C(=O)O 424417941 MPZAVTLZJXOHAS-JQWIXIFHSA-N 278.356 1.228 0 50 CDAA CC[C@H](C(=O)NC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 65362034 NPZGJBRKZFOTFR-CYBMUJFWSA-N 298.408 1.594 0 50 CDAA O=C(CN1C(=O)CSC1=O)c1ccc(F)cc1 34605296 LIFONRUPZVRTSR-UHFFFAOYSA-N 253.254 1.704 0 50 CDAA O=C(NCc1cccnc1)c1cc(C(=O)C2CC2)c[nH]1 1396043 IMJJIGLERUDNGQ-UHFFFAOYSA-N 269.304 1.932 0 50 CDAA O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnccn1 231361739 FXTDXSDMUGVEHV-ZYHUDNBSSA-N 259.309 1.450 0 50 CDAA CN1CN(C(=O)c2ccc3c(c2)C(C)(C)C(O)=N3)CC1=O 329772570 HNJXACJUUHDMBG-UHFFFAOYSA-N 287.319 1.438 0 50 CDAA CCCNc1ncc(CN(C)C[C@@H]2COCCO2)cn1 216505507 OPZDHQYBVGMXHQ-CYBMUJFWSA-N 280.372 1.146 0 50 CDAA CN(CCN(C)C1CC1)C(=O)CC1=CCOCC1 328592868 RCFDVFRWWSQFOW-UHFFFAOYSA-N 252.358 1.276 0 50 CDAA CC(C)(C)OC(=O)[C@@](C)(O)CNC[C@@]1(C)CCCCO1 1363575058 IKJQYCGYYKHCIF-CABCVRRESA-N 287.400 1.628 0 50 CDAA CNC(=O)c1cccc(S(=O)(=O)NC2CCCCC2)c1 33359659 HAOHQCHUFFWFCJ-UHFFFAOYSA-N 296.392 1.657 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@@H]2C1 71708086 DGTXKUBSAMCGMK-OLZOCXBDSA-N 283.335 1.553 0 50 CDAA NC(=O)c1ccc(N2CCC[C@]3(CCCCO3)C2)nn1 369362652 MGWJDAYDZFPUTL-CQSZACIVSA-N 276.340 1.115 0 50 CDAA CCO[C@H](C(=O)N1CC(O)(C2CC2)C1)c1ccccc1 372697255 SGWPMCWJWZRUQB-AWEZNQCLSA-N 275.348 1.748 0 50 CDAA Cc1cc(CC(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)no1 262223154 XJIBZRXRQUDOCV-LLVKDONJSA-N 278.308 1.239 0 50 CDAA COCC1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 602192909 MBQYJGGQXNPJQD-UHFFFAOYSA-N 275.352 1.853 0 50 CDAA O=C(NC1(C(=O)O)CCCC1)[C@H]1Cc2cccc(F)c2O1 237959026 OWJWSJYPGDQWTP-LLVKDONJSA-N 293.294 1.643 0 50 CDAA N[C@@H]1CCCN(C(=O)/C=C/c2c(F)cccc2F)C1 157964933 ALAQADWFNWHIKY-VQCYPWCPSA-N 266.291 1.928 0 50 CDAA COCc1nc(C)cc(N[C@H]2CCN3CCC[C@H]3C2)n1 240555621 GWQJRYQPRPJXTE-STQMWFEESA-N 276.384 1.970 0 50 CDAA CC(C)(O)CCc1cccc(C(=O)N2CC(O)C2)c1 72440043 HEHRWGJHKQVWIM-UHFFFAOYSA-N 263.337 1.207 0 50 CDAA CCC[C@@H]1C(=O)NCCN1c1cc(C)nc(CC)n1 283430036 BKSVEQFPNGUBMQ-LLVKDONJSA-N 262.357 1.452 0 50 CDAA CCO[C@@H]1CCC[C@H]1Nc1cc(N2CCOCC2)ncn1 450940985 OXWWPEYFMWGEPR-CHWSQXEVSA-N 292.383 1.683 0 50 CDAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)COC1CCCC1 241170930 KCXBVPKJBZEOJB-LWWSYDQCSA-N 295.379 1.650 0 50 CDAA CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 456326604 IQUIBRNMNORIOZ-STQMWFEESA-N 260.337 1.807 0 50 CDAA CN1CC2(CN(Cc3ccc(-n4cccn4)cc3)C2)OC1=O 496361135 OMAYYCNNKDJRGG-UHFFFAOYSA-N 298.346 1.509 0 50 CDAA CN1CC(=O)N(CCC(=O)Nc2cccc(Cl)c2)C1=O 174691742 GKNVRBFSJXXXNL-UHFFFAOYSA-N 295.726 1.563 0 50 CDAA CC(=O)NC(C)(C)c1noc(Cc2c[nH]c3ncccc23)n1 132382523 MXDVQQIVYWJFLA-UHFFFAOYSA-N 299.334 1.908 0 50 CDAA CCC(=O)c1ccccc1OCCN1CCN[C@H](C)C1 40456372 MLFBEEPXDXFDKB-CYBMUJFWSA-N 276.380 1.952 0 50 CDAA CCOC(=O)c1noc(C)c1CSc1nc(C)n[nH]1 44950564 NEJVBXZFDNSWIO-UHFFFAOYSA-N 282.325 1.879 0 50 CDAA Cc1cnn([C@H](C)C(=O)NCCc2cccnc2)c1 221212433 XGILMHLTNUPNOU-GFCCVEGCSA-N 258.325 1.506 0 50 CDAA NC(=O)[C@@H]1CCCN1C(=O)NCCCCc1ccccc1 426615590 UKQIVELNMYBSLJ-AWEZNQCLSA-N 289.379 1.669 0 50 CDAA COc1ccccc1CC(=O)N[C@@H](C)Cc1cnccn1 223136624 VXMWRSSEQTXTQW-LBPRGKRZSA-N 285.347 1.775 0 50 CDAA O[C@@H]1CN(c2noc(C3CC3)n2)CCN(C2CCCC2)C1 223957889 KSLZIBRJTFEERR-ZDUSSCGKSA-N 292.383 1.373 0 50 CDAA Cc1noc(CCC(=O)Nc2ncccc2Cl)n1 179942959 SMBLOPOYFROONU-UHFFFAOYSA-N 266.688 1.998 0 50 CDAA Cc1nn(C)c(C(=O)NC[C@H]2CCCOC2)c1Cl 426578531 DHMYBXHKLYEEIR-SECBINFHSA-N 271.748 1.538 0 50 CDAA c1nc(N2CCCC2)ncc1CN1C[C@@H]2CC[C@H]1CNC2 97294824 KPMVJIDMOGWOEL-HIFRSBDPSA-N 287.411 1.261 0 50 CDAA Cc1cc(CS(=O)(=O)N2CCC[C@@](C)(F)C2)on1 333027114 AYIOSWRAPHWEMX-LLVKDONJSA-N 276.333 1.637 0 50 CDAA Cc1nc2c(NCCc3nc(C4CC4)no3)ncnc2o1 91416574 STOCTXADKQHVSI-UHFFFAOYSA-N 286.295 1.841 0 50 CDAA CSCCc1nc(Cc2cccnc2)n(CCO)n1 96136219 QKZBHUMLPUTQMG-UHFFFAOYSA-N 278.381 1.162 0 50 CDAA C[C@H](NC(=O)c1ccc(-c2cc[nH]n2)cc1)c1nnn[nH]1 91602714 HTMUUPQLFFKLJK-QMMMGPOBSA-N 283.295 1.081 0 50 CDAA Cc1nc(C)c(Cn2ncc(N(C)C)cc2=O)s1 95363114 CYZVJBMQQAUEOA-UHFFFAOYSA-N 264.354 1.431 0 50 CDAA O=C1CC[C@@]2(CCOC2)CN1CCCc1ncc[nH]1 91493171 ZTRRGOORCPOBKJ-CQSZACIVSA-N 263.341 1.371 0 50 CDAA Cc1ccn2cc(C(=O)N(C)CCn3cccn3)nc2c1 97173266 ANCWXZZFZRUKKL-UHFFFAOYSA-N 283.335 1.611 0 50 CDAA CCn1ccnc1C1CCN(C(=O)[C@@H]2CCCO2)CC1 91320833 KWJLNQRTIIPCQM-ZDUSSCGKSA-N 277.368 1.788 0 50 CDAA CCc1cc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)ccn1 91445022 BYUGZKAATWDLDC-HNNXBMFYSA-N 262.353 1.877 0 50 CDAA CCOC1(CNC(=O)c2snnc2C)CCCC1 294341934 YAIQRXUDALDQGS-UHFFFAOYSA-N 269.370 1.926 0 50 CDAA Cc1cccc(NC(=O)N2C[C@H](C)N(C)[C@H](C)C2)n1 294333271 WXOQCEFZUAAWOS-TXEJJXNPSA-N 262.357 1.946 0 50 CDAA CN(C)C(=O)c1cncc(NC[C@@]2(C)CCCO2)n1 342550408 YIFSQACNKNPFPV-CYBMUJFWSA-N 264.329 1.159 0 50 CDAA C[C@@H]1O[C@H](Nc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O 252009609 RENWKKKXUKFSRO-LXPRAGIYSA-N 289.331 1.079 0 50 CDAA O=C(CC1Cc2ccccc2C1)NC[C@H]1COCCO1 252482229 DBAQVUMOOVRLQU-HNNXBMFYSA-N 275.348 1.323 0 50 CDAA C[C@@H](C(=O)N1CC[C@H](N)C1)c1ccc(F)c(F)c1 299739785 RIHRUPADCIHTTK-SCZZXKLOSA-N 254.280 1.628 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)c2ccn(C3CCCC3)n2)C1 299746425 XGTRTTMJWYXHQI-HNNXBMFYSA-N 291.351 1.935 0 50 CDAA O=C(COC[C@H]1CCCCO1)NCCc1nccs1 252479923 BQAUICVRRAFLGQ-LLVKDONJSA-N 284.381 1.388 0 50 CDAA CCc1ccc(C(=O)NCc2noc([C@H]3CCCO3)n2)[nH]1 534673073 NGFIBVZMOUMZHA-LLVKDONJSA-N 290.323 1.742 0 50 CDAA CN(Cc1ncon1)C(=O)N[C@@H]1CCc2ccccc21 534656016 GIZIWEIOQVUQSR-GFCCVEGCSA-N 272.308 1.899 0 50 CDAA CN1CCN(CC2(CN[C@@H]3CCSC3)CC2)CC1 534634243 QXSQLVQIFHDZHI-CYBMUJFWSA-N 269.458 1.109 0 50 CDAA Cc1ccnn1CCC(=O)N[C@H](c1nccn1C)C1CC1 299757232 JVVTXTYQEZDUJY-AWEZNQCLSA-N 287.367 1.583 0 50 CDAA COCCN(C)Cc1nc(C2(c3ccccc3)CC2)n[nH]1 824405478 PFHUSGSBGLARFX-UHFFFAOYSA-N 286.379 1.963 0 50 CDAA CCN1CCC(CN[C@H]2CCCOC2)(N(C)C)CC1 823107365 HUUYKUORYDAKIB-AWEZNQCLSA-N 269.433 1.171 0 50 CDAA Cc1cc(=O)c2c(o1)C1(CCOCC1)CC(=O)O2 828327495 XWGBJUHNUJIKDU-UHFFFAOYSA-N 250.250 1.306 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)c1oc(C)nc1C 584890060 KFCFBVSPCRULOR-VIFPVBQESA-N 277.328 1.784 0 50 CDAA CC(C)[C@@H](NC(=O)CCn1cnnn1)c1ccccc1 670453881 NCYPAGVBLZLTOK-CQSZACIVSA-N 273.340 1.577 0 50 CDAA COc1ccc(CN2C[C@H](O)[C@@H](OC)C2)c(C)c1 670436991 IMWUIBOZMGABQX-KBPBESRZSA-N 251.326 1.195 0 50 CDAA c1cnc(N2CCN(C3CSCCSC3)CC2)nc1 952870043 QPHUPWIXUWVJCF-UHFFFAOYSA-N 296.465 1.447 0 50 CDAA CNC(=O)c1cccc(NC(=O)C2CC(=O)C2)c1C 952981752 WGQDYHXLCOXDTB-UHFFFAOYSA-N 260.293 1.272 0 50 CDAA CCCCN1C=CN(CCCCS(=O)(=O)O)C1 100025293 HMUNIRFNXACTFG-UHFFFAOYSA-N 262.375 1.501 0 50 CDAA in-vitro CC(C)n1cnc(NC(=O)[C@@H]2C[C@H]2c2ccncc2)n1 1461305539 CDOYDRIIMLVITJ-NWDGAFQWSA-N 271.324 1.996 0 50 CDAA CC(C)c1ncc(C(=O)N2C[C@H]3CCCN[C@H]3C2)cn1 1565526975 YTEOEROYEHTIMF-YPMHNXCESA-N 274.368 1.424 0 50 CDAA CC(C)S(=O)(=O)NC(=O)[C@@H]1Cc2ccccc21 408490163 ZGNYRSYCHJHZKN-LLVKDONJSA-N 253.323 1.181 0 50 CDAA O=S(=O)(c1ccc(OCC2CC2)cc1)N1CC(CO)C1 408525419 QVEGVDQYGOJTKM-UHFFFAOYSA-N 297.376 1.088 0 50 CDAA Cc1cccc(Cl)c1N1C(=O)N[C@@H]([C@H](C)O)C1=O 408517036 SOHHSNHIAJEQAQ-CBAPKCEASA-N 268.700 1.454 0 50 CDAA CO[C@]1(C(=O)O)CCN(C(=O)c2cc(F)ccc2F)C1 630251294 XPZAOOGIUZJYKM-CYBMUJFWSA-N 285.246 1.281 0 50 CDAA NC(=O)C1(NC(=O)C(F)F)C2CC3CC(C2)CC1C3 585087093 XAGLFCZZAZQMEJ-UHFFFAOYSA-N 272.295 1.048 0 50 CDAA O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CCCSCC1 275654133 YVVVNGSWHSGMRW-SNVBAGLBSA-N 281.381 1.493 0 50 CDAA Cc1ccc(NC(=O)Cc2nnn[nH]2)c(Br)c1 169864895 VLSVWOQAPLBLFY-UHFFFAOYSA-N 296.128 1.452 0 50 CDAA C[C@@H](c1ccco1)N(C)C(=O)c1cc(O)nc(N(C)C)n1 170596508 FALGCIAIGVMGDO-VIFPVBQESA-N 290.323 1.674 0 50 CDAA CCSCC[C@@H](C)N(C)c1nc(=O)c2cn[nH]c2[nH]1 170598888 RESSMNAYABTGQB-MRVPVSSYSA-N 281.385 1.614 0 50 CDAA CC(=O)NC(C)(C)c1noc(-c2ccc(F)cc2O)n1 170594930 YWNIAABHSVHZOD-UHFFFAOYSA-N 279.271 1.953 0 50 CDAA Cc1nc(C)c(CNC(=O)[C@H](N)c2c(F)cccc2F)o1 516463359 ZJJZAODNYSUULN-CYBMUJFWSA-N 295.289 1.886 0 50 CDAA CCc1ccc(CN[C@@H](C(=O)OC)[C@H](C)O)cc1 170606970 UWHBQHSEILOVJA-GXFFZTMASA-N 251.326 1.261 0 50 CDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)Cn1cccn1 279324288 NBXQOMIDRDQENG-NSHDSACASA-N 289.339 1.149 0 50 CDAA Cc1c(CNC(=O)[C@@H]2CCN2C2CCCC2)cnn1C 585132243 RBOMXDWTRNPVFD-AWEZNQCLSA-N 276.384 1.362 0 50 CDAA CCn1nccc1CCN(CC(=O)O)C1CCC1 574928209 MPOJEKOQZLJTEE-UHFFFAOYSA-N 251.330 1.385 0 50 CDAA O=C(CCc1cncnc1)N[C@H]1CCc2cc(O)ccc2C1 646068743 ANXBGLXKJSHPII-HNNXBMFYSA-N 297.358 1.789 0 50 CDAA Cc1noc([C@@H]2CCN(Cc3ccc(CO)o3)C2)n1 560349631 JLOYBTQUVCJKNK-SNVBAGLBSA-N 263.297 1.453 0 50 CDAA CCc1c(-c2ccncc2)n[nH]c1NC(=O)[C@H](C)C(=O)O 647127566 VGIUMOWEEFKRJD-QMMMGPOBSA-N 288.307 1.693 0 50 CDAA N[C@H]1CCCN(C(=O)COc2ccc(F)cc2F)C1 195117832 MCBSOICJZBTWET-JTQLQIEISA-N 270.279 1.293 0 50 CDAA O=C(N=c1nc(Cc2ccc(F)cc2)[nH]o1)N1CCCC1 653393435 OZCUZSPRNPKBEW-UHFFFAOYSA-N 290.298 1.849 0 50 CDAA Cc1cnc(C)c(N2CCN(CC(C)C)C(=O)C2)n1 195571684 SJHDVHDSZBRFIA-UHFFFAOYSA-N 262.357 1.398 0 50 CDAA CN(CCCN)c1nc(-c2ccncc2)nc2c1CCC2 1615050026 HJWMXJGLYHXWNY-UHFFFAOYSA-N 283.379 1.812 0 50 CDAA C[C@H](Cc1cccnc1)NC(=O)N=c1cc[nH]cc1N(C)C 1615041952 RQBVJGWLCKXIFY-GFCCVEGCSA-N 299.378 1.717 0 50 CDAA O=C(NCCc1ccccn1)[C@@H]1NCCOc2ccccc21 1615613973 COZVPNYBUFQAHH-MRXNPFEDSA-N 297.358 1.464 0 50 CDAA CC[C@H]1CCN(S(=O)(=O)c2ccc(F)nn2)C1 1615613728 JRRQPQLCJHRIDE-QMMMGPOBSA-N 259.306 1.036 0 50 CDAA CCN(C[C@@H]1CCCCO1)C1CCN(C(C)=O)CC1 1506397753 WYSVDTLTYBYOLC-HNNXBMFYSA-N 268.401 1.888 0 50 CDAA CCN1CCN(Cc2cccnc2OC)CCC1=O 1506397402 SZCIBZPXHXAGDT-UHFFFAOYSA-N 263.341 1.144 0 50 CDAA CC(C)[C@H]1CN(C(CO)CO)C[C@@H](c2ccccc2)O1 1529110795 PCXUNVWXJCOQKJ-CVEARBPZSA-N 279.380 1.438 0 50 CDAA CN1CCC[C@]2(CO)CCN(Cc3cccc(O)c3)C[C@@H]12 1704340012 BPFXQOOEINYCCU-IAGOWNOFSA-N 290.407 1.671 0 50 CDAA CCCC[C@@H](C)C(=O)N(CCO)Cc1ncc[nH]1 1704307898 LXYBAPIVMRNCPB-LLVKDONJSA-N 253.346 1.557 0 50 CDAA C=CC(=O)N(CCOC)Cc1c(C)nn(C)c1C 1262555780 ILTWVHRDBURPMZ-UHFFFAOYSA-N 251.330 1.198 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCC[C@H](NC)C1 133159519 KTHZDWPEOBHMNK-NSHDSACASA-N 279.384 1.552 0 50 CDAA O=C(CCc1ccc(F)c(F)c1)N1C[C@H]2C[C@H](O)[C@H]2C1 1772701990 QDAFBFPHFKMCFK-SUNKGSAMSA-N 281.302 1.737 0 50 CDAA CN1C[C@H](CN2CCC(c3cc[nH]n3)CC2)CCC1=O 1775978366 RWGSFVRRKRMSER-GFCCVEGCSA-N 276.384 1.458 0 50 CDAA O=C(/C=C1\SC(=O)NC1=O)Nc1ccc(O)cc1 13659316 VPDDWGVHKVQZID-YVMONPNESA-N 264.262 1.198 0 50 CDAA CCCN(C(=O)c1cccc2nc(O)[nH]c12)[C@@H]1CCNC1 911769374 VACKNNXXZGKAME-SNVBAGLBSA-N 288.351 1.483 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCOC1 250813644 DTLQNBTZKVETOO-YFKTTZPYSA-N 267.325 1.267 0 50 CDAA CCCNC(=O)[C@H]1CCCN(C(=O)c2ncoc2C)C1 263743588 AQXXOWOSRRAPMC-NSHDSACASA-N 279.340 1.361 0 50 CDAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCNC[C@H]2C)C1 125182350 KKEMQGNZIQXDSG-JHJVBQTASA-N 254.374 1.402 0 50 CDAA CCCN(C)CC(=O)N1CCc2occc2[C@@H]1C(=O)O 910202380 IEEPXWABGAOBAQ-CYBMUJFWSA-N 280.324 1.132 0 50 CDAA C[C@@H](O)Cn1cc(C(=O)c2ccc(C(F)(F)F)cc2)nn1 864627592 OYZVNLQTGYNBIB-MRVPVSSYSA-N 299.252 1.909 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1cc2n(n1)CCCC2 952879510 JCPVKOXZPGKKIJ-UHFFFAOYSA-N 283.353 1.106 0 50 CDAA CCc1c(C(=O)N[C@@H]2Cc3cccnc3NC2=O)ccn1C 952993235 FVDSKVSAZYQIPA-GFCCVEGCSA-N 298.346 1.276 0 50 CDAA CS(C)(=O)=NC[C@@H]1CCCN(C(=O)OCCCF)C1 952992957 LOEGNCKTHVFIIF-NSHDSACASA-N 294.392 1.922 0 50 CDAA CCc1nnc(CNc2ccc3c(c2)NC(=O)NC3)o1 1875290243 JLIQAABVVNVGCV-UHFFFAOYSA-N 273.296 1.879 0 50 CDAA Cn1ncc(-c2noc([C@H](O)C3CC3)n2)c1Cl 1875285816 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IGXPQWMRHDLDAE-UHFFFAOYSA-N 267.256 1.524 0 50 CDAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H](N)C1 251942146 ZRAXDDXGRDMKBG-ZOBORPQBSA-N 265.401 1.199 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O 263010106 PNUMFVOAYTVFLU-KKJSVHSVSA-N 267.325 1.123 0 50 CDAA CCc1ccccc1S(=O)(=O)NC[C@@H](C(=O)O)C(C)C 277286657 QKIRYAOFFNQCHZ-GFCCVEGCSA-N 299.392 1.884 0 50 CDAA O=C(CN1CCn2cncc2C1)Nc1ccccc1Cl 660580451 IXDMNKRGUNFFDG-UHFFFAOYSA-N 290.754 1.991 0 50 CDAA CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2N)C1 408519284 KOYCFHLOCZCNMO-MGPQQGTHSA-N 268.401 1.777 0 50 CDAA CCOC[C@@H]1CN([C@@H](C(=O)O)c2ccccc2)CCO1 530171802 FURPIZABEZVCFQ-UONOGXRCSA-N 279.336 1.550 0 50 CDAA O[C@H](CN1CCCC2(CCOCC2)C1)Cn1cccn1 375889665 IXLYOEVTRNUCEX-CQSZACIVSA-N 279.384 1.137 0 50 CDAA COCc1cc(CNC(=O)c2cnc(N)c(Cl)c2)no1 2325818537 HVVLVLQCXZTEQZ-UHFFFAOYSA-N 296.714 1.382 0 50 CDAA C[C@H](CS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 107165 GTJGBRDKIRIHFW-SSDOTTSWSA-N 262.714 1.834 0 50 CDAA O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3 268081 RVVIKJAZPQYDOS-UHFFFAOYSA-N 271.198 1.935 0 50 CDAA O=C(Nc1nccs1)[C@H]1CCCC[C@H]1C(=O)O 433158 WXZWNOAGMLCICB-JGVFFNPUSA-N 254.311 1.973 0 50 CDAA COc1ccc(S(=O)(=O)NCc2ccccn2)cc1C 479467 YGBIMANBHRKTKF-UHFFFAOYSA-N 292.360 1.877 0 50 CDAA CCc1ccc(N2C(=O)CN(CC(=O)OC)C2=S)cc1 586052 RDQHYPGCSMBGMQ-UHFFFAOYSA-N 292.360 1.356 0 50 CDAA Cc1nc(N2CCC[C@@]3(CC2)CNC(=O)O3)nc(C)c1C 2356145140 CQBSSQFTGXAGEU-OAHLLOKOSA-N 290.367 1.871 0 50 CDAA Cc1cc(Cl)ccc1OCCNS(C)(=O)=O 2839798 GGJGMQBUZWMKKG-UHFFFAOYSA-N 263.746 1.576 0 50 CDAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(C)(=O)=O 4019999 DGKGNEDJNWYORV-JSGCOSHPSA-N 280.393 1.562 0 50 CDAA COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1OC 4704052 KXKDPZJOWUXOQL-LLVKDONJSA-N 295.335 1.933 0 50 CDAA COCCN1CCN(c2ccc3nccnc3n2)C[C@@H]1C 112080370 ZNZWAJSAYPRDOP-LBPRGKRZSA-N 287.367 1.182 0 50 CDAA CO[C@@H]1CC[C@H]2OCCN(CCc3ccncc3)[C@H]2C1 246081119 BZQURKMTFLHUEX-OWCLPIDISA-N 276.380 1.892 0 50 CDAA CN1[C@H]2CC[C@H]1CC(OC(=O)CCN1CCCC1)C2 100450368 BWPRWNIQEYRCRX-STQMWFEESA-N 266.385 1.641 0 50 CDAA CCc1nnc(CN2CCC[C@@H]2[C@H]2CCCN2C(C)=O)o1 247955374 SGQFCBLMQWEHJQ-CHWSQXEVSA-N 292.383 1.607 0 50 CDAA O=C(CC1(O)CCCC1)N[C@H]1COc2ccccc2C1=O 135363898 YGQOZZQVWTXMKP-LBPRGKRZSA-N 289.331 1.442 0 50 CDAA O=C(CCN1CCCCO1)NCc1cccs1 65431968 QMNVDBMSFQQREC-UHFFFAOYSA-N 254.355 1.782 0 50 CDAA CCOCCN[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 309737744 RBLKKLHZIBIXSO-MNOVXSKESA-N 260.378 1.914 0 50 CDAA O=C(c1nccnc1-c1nc(C2CC2)n[nH]1)N1CCCCC1 65499133 TWBSWNQLHVYEHR-UHFFFAOYSA-N 298.350 1.765 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](N2CC[C@H](C(=O)O)C2)C1 114337681 SZEOIRVQVOFBBA-QWRGUYRKSA-N 284.356 1.402 0 50 CDAA NS(=O)(=O)c1cc2cc(C(=O)O)sc2s1 1535543936 ZVIFHSJYVRQESU-UHFFFAOYSA-N 263.321 1.308 0 50 CDAA c1ccc([C@H]2NCCc3[nH]cnc32)c(Cn2cccn2)c1 65409507 PDMSTCKGCOTDJV-OAHLLOKOSA-N 279.347 1.890 0 50 CDAA Nc1nc(Br)cn2c(Br)cnc12 34247708 CJKQEFQUALUTAE-UHFFFAOYSA-N 291.934 1.837 0 50 CDAA CN1C(=O)CCS(=O)(=O)[C@@H]1c1ccc(Cl)cc1 896468 WEQAYVWKMWHEJO-LLVKDONJSA-N 273.741 1.616 0 50 CDAA biogenic,world CC(C)c1cc(C(=O)N2CCN3C(=O)CC[C@H]3C2)no1 252535815 GYMNSFPBMAJEAN-JTQLQIEISA-N 277.324 1.245 0 50 CDAA CCOC(=O)c1cccnc1N[C@@H]1CCC[C@H]1C(=O)NC 358326538 WJWNAJJBKPYQDN-ZYHUDNBSSA-N 291.351 1.585 0 50 CDAA CCn1ccnc1CN1CCC(N2CCSCC2)CC1 215537316 UYZFYMREOHDLAU-UHFFFAOYSA-N 294.468 1.916 0 50 CDAA CN1C[C@]2(CCCN(Cc3cccnc3N)CC2)OC1=O 72141665 IIJDVPWREHGHAO-OAHLLOKOSA-N 290.367 1.471 0 50 CDAA O=C(c1cncnc1)N1CC[C@](CO)(c2ccccc2)C1 361200563 LTEMSPOJPHXBRU-INIZCTEOSA-N 283.331 1.253 0 50 CDAA COc1cc(Cl)cc(C(=O)N2CCOC[C@@H](CO)C2)c1 77341377 LKFRIMPDHRGCOJ-SNVBAGLBSA-N 299.754 1.430 0 50 CDAA Cc1ncc(CN(C)Cc2cccc(-c3nn[nH]n3)c2)[nH]1 215036365 VSBQPMGFJNIDEL-UHFFFAOYSA-N 283.339 1.530 0 50 CDAA Cc1cc(=NC(=O)[C@@H]2CCN(C)C2)[nH]n1-c1ccccc1 334372478 ROSJAZJRDXNQHJ-CYBMUJFWSA-N 284.363 1.493 0 50 CDAA O=C1C[C@@H](NCCCl)C(=O)N1Cc1ccccc1 34453809 ABTPOTUWHMQVEX-LLVKDONJSA-N 266.728 1.143 0 50 CDAA C[C@@H]1c2nncn2CCN1C(=O)[C@@H]1CCOc2ccccc21 330166216 VAWVVSXUASYABM-DGCLKSJQSA-N 298.346 1.748 0 50 CDAA OCC1(CN[C@@H](c2ncc[nH]2)C2CCCCC2)COC1 367616531 OLBLBZXSOTWDJU-CYBMUJFWSA-N 279.384 1.630 0 50 CDAA O=C(COc1ccc(F)cc1F)N1CC[C@H]2CNC[C@H]21 368372747 BNBXTJYMAKMVAM-JOYOIKCWSA-N 282.290 1.164 0 50 CDAA O=C(O)C1CCC(C(=O)NCc2ccoc2)CC1 126423662 LKDACMSBGRHNON-UHFFFAOYSA-N 251.282 1.787 0 50 CDAA CCc1cnc(C)nc1N1CCO[C@H](CCN(C)C)C1 71765236 GHNZXRUZFWKXHU-CQSZACIVSA-N 278.400 1.504 0 50 CDAA COc1ncccc1NC(=O)N1CCn2ccnc21 521394577 QBFDMUOXPCNVKU-UHFFFAOYSA-N 259.269 1.339 0 50 CDAA CCNCCNC(=O)c1cccc(Nc2ccc(C)nn2)c1 236999961 ZJZKSVGBFCEUCF-UHFFFAOYSA-N 299.378 1.868 0 50 CDAA Cn1nccc1[C@@H]1NC(=O)CC[C@H]1NCc1ccco1 284671252 WOFNDFKLIXURHL-BXUZGUMPSA-N 274.324 1.123 0 50 CDAA CCCc1cc(C(=O)N[C@H](C)c2nncn2C)no1 82136947 QKKINCVSUQOPDD-MRVPVSSYSA-N 263.301 1.247 0 50 CDAA CC[C@@H](NS(=O)(=O)N1CCOCC1)c1cccs1 48673972 NOTCOUKLHNCRNS-SNVBAGLBSA-N 290.410 1.366 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)c1ccn(C(C)C)n1 426497176 IQOVSVCIAJHJJR-UHFFFAOYSA-N 287.367 1.431 0 50 CDAA COC(=O)c1cnc2cc(Br)ccn12 89202052 FITANCORDURZOD-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA O=C(Cc1cccnc1)NCc1nc(C2CC2)no1 223682237 NJNQZWDTFLUWQR-UHFFFAOYSA-N 258.281 1.201 0 50 CDAA CCn1c(C)ccc(C(=O)N(C)Cc2ncc(C)[nH]2)c1=O 426548569 SQIOFRGMMANNNO-UHFFFAOYSA-N 288.351 1.480 0 50 CDAA CN(CCC(=O)O)C(=O)[C@H]1COc2ccc(Cl)cc2C1 237227481 KCHMOJICFBWAOD-SNVBAGLBSA-N 297.738 1.824 0 50 CDAA Cc1cc(C(=O)N2CCNC(C)(C)C2)c2cnn(C)c2n1 177938378 RYAFOYHMAZJXSO-UHFFFAOYSA-N 287.367 1.101 0 50 CDAA Cc1cccc([C@@H](C(=O)NCCCO)N(C)C)c1 95372916 KRPXPCVOTQVRRT-ZDUSSCGKSA-N 250.342 1.096 0 50 CDAA CCCc1cc(C(=O)N(C)C[C@@H](C)N2CCOCC2)[nH]n1 91933536 PPBMOLXMPNCMDP-GFCCVEGCSA-N 294.399 1.155 0 50 CDAA COCCCN1CC[C@@H](CNc2ncccn2)C1 91562711 RWZQEKBRBTVRKE-LBPRGKRZSA-N 250.346 1.247 0 50 CDAA CN(C)C(=O)c1nc(CN2CCCCCCCC2=O)no1 95501938 OFHYYDFPEVMZJL-UHFFFAOYSA-N 294.355 1.454 0 50 CDAA COc1ccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 239173922 OXPKZJGYHZGSIU-AEOCFKNESA-N 287.315 1.831 0 50 CDAA Cc1ccc2[nH]c(CN3CCN(C)CC3)cc(=O)c2c1 91808287 RDRWIAVROZFDLJ-UHFFFAOYSA-N 271.364 1.584 0 50 CDAA O=C(NCc1ccoc1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 97785164 GJNQWFCAKBBPKZ-CQSZACIVSA-N 299.330 1.340 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)N(C)[C@@H]2CCN(C)C2)c1 97797649 PXMAHLNFEVSRGL-GFCCVEGCSA-N 292.335 1.170 0 50 CDAA COCCN(Cc1nc(C)n[nH]1)Cc1c(C)nn(C)c1C 243932116 BTAKQKGHOZKDRJ-UHFFFAOYSA-N 292.387 1.112 0 50 CDAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cn[nH]c1 240517197 NWNDMRUYEAYVTB-UBHAPETDSA-N 277.349 1.713 0 50 CDAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cncn1 241644712 PSVWYIBBOXGEBU-UHFFFAOYSA-N 295.364 1.956 0 50 CDAA COc1cccc2[nH]c(C(=O)NCCn3ccnc3)cc12 253410693 NPHOWIOJISBBMH-UHFFFAOYSA-N 284.319 1.803 0 50 CDAA COCC1(CNc2cncc(C(=O)N(C)C)n2)CCC1 343160343 WIJLYMAVPWEMQP-UHFFFAOYSA-N 278.356 1.407 0 50 CDAA Cc1oncc1CN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 299741759 FWCYMEPHLQQQBX-RKDXNWHRSA-N 277.246 1.079 0 50 CDAA N=c1cc(-c2cccc3ccnn23)nc(N2CCCC2)[nH]1 534639426 KQYJDWYVSIEVSS-UHFFFAOYSA-N 280.335 1.804 0 50 CDAA CC[C@@H](NC(=O)Cc1cc(O)nnc1O)c1ccccn1 534629761 NLOSEGZHNDGHCY-SNVBAGLBSA-N 288.307 1.093 0 50 CDAA Cc1ccccc1[C@H](CNC(=O)c1cnn[nH]1)N(C)C 534644185 ZSWAUNCQPKLAMW-ZDUSSCGKSA-N 273.340 1.146 0 50 CDAA CCC[C@@H](CNc1nc(C)ccc1C(N)=O)N(C)C 534649249 ATBUEGZITXHDNM-NSHDSACASA-N 264.373 1.631 0 50 CDAA COC(=O)[C@@H]1CC2(CC2)C(=O)N1C(=O)OC(C)(C)C 616569501 UONWHDJTCBUKSC-QMMMGPOBSA-N 269.297 1.476 0 50 CDAA O=C(NC[C@@H]1CCC2(CCNCC2)O1)c1cccnc1 299791109 CPMVAICYPVITFJ-ZDUSSCGKSA-N 275.352 1.113 0 50 CDAA CC(C)c1ccc(C(=O)NC[C@@H]2CCOC2)c(=O)n1C 299781402 RJVZBTXHXACOGB-NSHDSACASA-N 278.352 1.275 0 50 CDAA CN(Cc1ncc[nH]1)C[C@H]1CC(=O)N(c2ccccc2)C1 299780202 KGRBLSFSDFXEDX-CYBMUJFWSA-N 284.363 1.895 0 50 CDAA O=C(NC[C@H](CO)Cc1ccsc1)Nc1cnns1 299771534 QJVAPCNLWPRSMB-SECBINFHSA-N 298.393 1.572 0 50 CDAA Cc1ccnc(CNC(=O)C2(Cn3ccnc3)CC2)c1 825240849 NXWCDJJKNRRHDF-UHFFFAOYSA-N 270.336 1.683 0 50 CDAA COCCn1cncc1CNC(=O)c1ccc2c(c1)CCC2 584889828 RMTZHZMYBWMIAW-UHFFFAOYSA-N 299.374 1.948 0 50 CDAA COCCCCN1CCN(C(=O)Cc2ccsc2)CC1 584895792 LOGZOCUWQUPMJP-UHFFFAOYSA-N 296.436 1.861 0 50 CDAA CCC1=NO[C@@H](C(=O)NCCc2cn3ccccc3n2)C1 584900348 QFPNKQIREWZRSY-CYBMUJFWSA-N 286.335 1.548 0 50 CDAA Cc1cc2nc(CN(C)C(=O)c3cnn[nH]3)[nH]c2cc1C 584886919 XMWGSOPCPNAXIU-UHFFFAOYSA-N 284.323 1.570 0 50 CDAA O=C(NCCc1noc(C(F)(F)F)n1)C1CC=CC1 670436542 LHCCDFPMWZANMW-UHFFFAOYSA-N 275.230 1.713 0 50 CDAA CC(C)c1cc(N2CCC(NS(C)(=O)=O)CC2)ncn1 599452302 KTGVMYSQJXYTDP-UHFFFAOYSA-N 298.412 1.118 0 50 CDAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1c[nH]nc1-c1ccccc1 1074607393 RMGJVDAVURAEHH-IACUBPJLSA-N 283.331 1.984 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 1875311292 SSFHNMCBGLTSEZ-QLHLUDRRSA-N 263.337 1.648 0 50 CDAA C[C@H](NC(=O)[C@H]1Cc2ccc(F)cc21)c1nn(C)cc1O 1412772006 VIBXPRSWEQURSW-UFBFGSQYSA-N 289.310 1.782 0 50 CDAA C[C@H](C(=O)N1CCc2ccnc(N)c2C1)c1ccccn1 1454534372 RGKUNBHWBIOOSM-NSHDSACASA-N 282.347 1.747 0 50 CDAA CC[C@@H]1CC[C@@H](C(=O)Nc2c[nH]c(C(N)=O)c2)O1 268068359 CYTAPLCOSCMEBG-SCZZXKLOSA-N 251.286 1.010 0 50 CDAA CC(C)c1cc(CN2CC[C@](C)(O)[C@H](O)C2)no1 1565514960 CDLPLWHIMOZNSG-OLZOCXBDSA-N 254.330 1.116 0 50 CDAA C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N[C@H](C)CO 268867048 UFDCPYMFQYUWPT-LZWOXQAQSA-N 262.397 1.867 0 50 CDAA CC(C)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1nc(C2CC2)no1 268929769 XUOVDKMMJCNFQS-AEJSXWLSSA-N 293.323 1.481 0 50 CDAA CC(C)n1ccc(Cn2cnn(C(C)(C)C)c2=O)n1 185034582 RHNSFCKQJMRBTH-UHFFFAOYSA-N 263.345 1.626 0 50 CDAA COCc1ccc(C(=O)N2CC[C@](OC)(C(=O)O)C2)cc1 630249442 MSAYZLCDFQDTOK-OAHLLOKOSA-N 293.319 1.149 0 50 CDAA CCOC(=O)c1ccc(N[C@H]2CCC[C@H]2O)nc1 170087799 AAPDBPDRRMAJDA-WDEREUQCSA-N 250.298 1.584 0 50 CDAA Cc1nc(CS(=O)(=O)NCCc2ccccn2)cs1 170599244 TWRDQDMVDBWNML-UHFFFAOYSA-N 297.405 1.509 0 50 CDAA CN(C)C(=O)NCCNC(=O)c1ccc(F)c(Cl)c1 170592309 PWDJDFDKTCIIGF-UHFFFAOYSA-N 287.722 1.480 0 50 CDAA C=CC(=O)NC[C@@](C)(COCc1ccccc1)OC 702762987 HJLHLUMUYGFKLU-HNNXBMFYSA-N 263.337 1.911 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21 633126032 OWZKEHBPJZNBCT-NWANDNLSSA-N 282.347 1.889 0 50 CDAA O=C(CCCc1nn[nH]n1)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 635980007 BUSVCNRKQBJRNC-ZDEQEGDKSA-N 287.367 1.193 0 50 CDAA CCn1cc([C@@H]2CN(C(=O)NCCCF)CCO2)cn1 190029835 RQJNGECSAHVXQC-LBPRGKRZSA-N 284.335 1.346 0 50 CDAA CC(=O)NC1CN(C(=O)c2csc(CC(C)C)n2)C1 191491064 XDFQCSXOSXDFFX-UHFFFAOYSA-N 281.381 1.302 0 50 CDAA CC(C)c1cc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)n[nH]1 191865335 KGAZEDQPKZWNDG-JTQLQIEISA-N 299.396 1.040 0 50 CDAA O=C(COc1ccccc1)N1CCNC[C@H]1c1ccncc1 564650433 CAGVJAFHJXROQY-INIZCTEOSA-N 297.358 1.634 0 50 CDAA O=C(NCCc1ccccn1)[C@@H]1CCCN1c1ncccn1 584907264 ORDDYLOISLNSIT-AWEZNQCLSA-N 297.362 1.199 0 50 CDAA CCN(C(=O)N1CCC[C@@H](CN2CC[C@@H](O)C2)C1)C(C)C 585139413 WMPGBSNRVZNQOT-LSDHHAIUSA-N 297.443 1.615 0 50 CDAA C[C@@H](CO)NC(=O)c1nc(C(F)(F)F)n2ccccc12 585129428 JBNXAPULVUBAMB-ZETCQYMHSA-N 287.241 1.464 0 50 CDAA CC(C)N(C(=O)Cn1ncccc1=O)c1ccccc1 195419608 GHIVKMUCBTZPTC-UHFFFAOYSA-N 271.320 1.685 0 50 CDAA CCCSCCNC(=O)c1c(O)cccc1O 67713506 OBUYRWOUSYVVFX-UHFFFAOYSA-N 255.339 1.971 0 50 CDAA c1ccc(-n2cnc(CN[C@]34CCC[C@H]3NCC4)n2)cc1 1615058816 RIOFSYWECGQESW-ZBFHGGJFSA-N 283.379 1.642 0 50 CDAA CSC[C@@H](C)C(=O)NCc1nccnc1Cl 808067883 SXMWJSNFQFGOCA-SSDOTTSWSA-N 259.762 1.745 0 50 CDAA Cc1ocnc1CN1CCN(CC2CCOCC2)CC1 1775986213 NGXSUAWHMVSLPS-UHFFFAOYSA-N 279.384 1.527 0 50 CDAA COCCn1cnnc1[C@H](C)N=c1cc[nH]cc1F 1529195335 JZJJHHDDQGABEB-VIFPVBQESA-N 265.292 1.054 0 50 CDAA O=C(CNc1ccccc1Cl)N[C@H]1C[C@@H](C(=O)O)C1 666366589 LBCTXLSUZQXJBB-DTORHVGOSA-N 282.727 1.731 0 50 CDAA Cn1cncc1C(=O)N1CCCN([C@H]2CCSC2)CC1 1800413509 IOFBWOXHNBZJAN-LBPRGKRZSA-N 294.424 1.074 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1C1(O)CC1 1772812221 JGLWHNQDZQMNOS-AWEZNQCLSA-N 291.395 1.485 0 50 CDAA Cc1cccc(C(=O)NCc2n[nH]c(=S)n2C)c1 5981559 XZBHTISRWCZCFV-UHFFFAOYSA-N 262.338 1.716 0 50 CDAA CC[C@@]12COC(=O)N1CCN(Cc1cc(C)no1)C2 1857740202 DIAWOUFDRAKYHM-CYBMUJFWSA-N 265.313 1.400 0 50 CDAA O=C(O)CCNC(=O)c1cccc(Br)c1 5427987 XXYNGCYDCHRAPU-UHFFFAOYSA-N 272.098 1.654 0 50 CDAA O=S(=O)(O)[C@H](c1ccccc1)[n+]1ccccc1 5489525 NESWJVQPPBKTAS-GFCCVEGCSA-O 250.299 1.409 0 50 CDAA NC1=NC(=O)[C@@H](Cc2ccc(Br)cc2)S1 18209195 GDTQOJHAJBXMMK-MRVPVSSYSA-N 285.166 1.948 0 50 CDAA COc1ccc(CN2CCN(C)CC2)c(OC)c1OC 19536593 SQQDLCAQLUXIPC-UHFFFAOYSA-N 280.368 1.460 0 50 CDAA in-vitro C[C@H]1CN(C[C@@H](O)COCc2ccccc2)C[C@@H](C)O1 19594717 YTWHNHAFBLEEKO-IJEWVQPXSA-N 279.380 1.673 0 50 CDAA Cc1ccccc1OCCOCCN1CCOCC1 19637848 SGKSTEODWBYFEA-UHFFFAOYSA-N 265.353 1.723 0 50 CDAA COc1ccc(-c2ccc3c(O)nc(=N)[nH]c3n2)c(O)c1 1857526241 GFJRKEJXHBAVBC-UHFFFAOYSA-N 284.275 1.524 0 50 CDAA O=C(C[C@@H]1OC(=O)c2ccccc21)N[C@@H]1COC2(CC2)C1 1857527058 RJQCHCNKORHCQP-GWCFXTLKSA-N 287.315 1.726 0 50 CDAA CN1Cc2ccccc2C[C@@H]1CNC(=O)c1ccns1 1857682733 MIUBJPGRKWRNKH-CYBMUJFWSA-N 287.388 1.930 0 50 CDAA O=C(C[C@@H]1CCCC[C@H]1O)N1CCC[C@@H](n2ccnn2)C1 332381085 AURHZGVNDJPTMA-BFHYXJOUSA-N 292.383 1.383 0 50 CDAA COc1ncccc1NC(=O)N1CC[C@H](C)[S@@](=O)CC1 225394128 HGJSCDKBJIKCEZ-FVINQWEUSA-N 297.380 1.465 0 50 CDAA CC(=O)N1CC(=O)c2cc(Br)ccc21 2517165 KXJGSNRAQWDDJT-UHFFFAOYSA-N 254.083 1.998 0 50 CDAA in-vitro CCCOc1cncc(NC(=O)[C@H](N)C2CCOCC2)c1 638583979 PNXWTGQVFVMAIA-CQSZACIVSA-N 293.367 1.563 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)CCc1cc(F)ccc1F 238063612 FSHRXYYKFXSVLQ-LBPRGKRZSA-N 283.274 1.973 0 50 CDAA CCn1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cn1 659203879 LILIQTMHRWIISR-UHFFFAOYSA-N 291.311 1.172 0 50 CDAA CCCCNC(=O)[C@H](C)N1CC[C@H](Oc2cccnc2)C1 152379861 AXWNUECWXWNPNK-ZFWWWQNUSA-N 291.395 1.840 0 50 CDAA Cn1nccc1C(=O)N1CCNC[C@H]1c1cccc(F)c1 261989032 OUTCMLHZTISSNH-AWEZNQCLSA-N 288.326 1.346 0 50 CDAA CNCc1nnc(N[C@H](C)Cc2cccs2)o1 234431125 UKOBHPFWCUIROU-MRVPVSSYSA-N 252.343 1.894 0 50 CDAA COc1ccc(S(=O)(=O)NCC(C)C)c(OC)c1 6741511 YQHLTTVNCYIVPO-UHFFFAOYSA-N 273.354 1.638 0 50 CDAA Cc1cc(C)c(C(=O)Nc2nccn(C)c2=O)c(C)n1 903653042 FDLYXOMBTMHNFQ-UHFFFAOYSA-N 272.308 1.353 0 50 CDAA Cc1cnc([C@]2(NC(=O)c3c(C)noc3C)CCOC2)[nH]1 818679362 YWOVEELAHRCKNF-AWEZNQCLSA-N 290.323 1.369 0 50 CDAA COCC1CC(NC(=O)NCc2cccc(C(=O)O)c2)C1 874405749 XZCJSFPAXFLTMA-UHFFFAOYSA-N 292.335 1.609 0 50 CDAA N[C@@H]1CCCCCC[C@@H]1C(=O)N1CCCc2n[nH]cc2C1 952893057 FFJWKDHXUFWAAD-UONOGXRCSA-N 290.411 1.982 0 50 CDAA O=C(c1ccc([C@H]2CCOC2)cc1)N1CC(CO)C1 1875283012 BDRGQJCGNSKDJH-AWEZNQCLSA-N 261.321 1.255 0 50 CDAA Cn1ncc2c1CC[C@@H](F)[C@@H]2NCC1(n2ccnn2)CC1 1875396575 NKTIVMMIHNDQQF-DGCLKSJQSA-N 290.346 1.116 0 50 CDAA O=C(CN1C(=O)CCOc2ccccc21)Nc1ccncn1 1875326618 QHVUVCDNGLHAKR-UHFFFAOYSA-N 298.302 1.231 0 50 CDAA NC(=O)c1ccc(CCN2C[C@@H](N)C3(CCC3)C2)cc1 1775961955 KFQZVLWACJLNHW-CQSZACIVSA-N 273.380 1.141 0 50 CDAA N[C@H]1CN(C(=O)c2cccc3c2CCOC3)CC12CCC2 1775962618 WMYZNEZJLRIFED-HNNXBMFYSA-N 286.375 1.713 0 50 CDAA CS(=O)(=O)N1CCC[C@H](NC[C@@H]2C[C@H]3C=C[C@H]2C3)C1 136361424 WCELDGIEYMXCDH-XUXIUFHCSA-N 284.425 1.212 0 50 CDAA COc1cc(CN[C@H]2CN3CCC2CC3)cc(OC)c1 19948354 AITUAHIRCSIPTC-INIZCTEOSA-N 276.380 1.888 0 50 CDAA Cc1ccc2sc(=NCc3cnn(C)n3)[nH]c2c1 389935024 HXSFZTMTYWCTTM-UHFFFAOYSA-N 259.338 1.767 0 50 CDAA Cn1cnc2cnc(-c3ccc([C@H]4CNC(=O)C4)cc3)nc21 2100483697 LRXICADYOUXZTP-GFCCVEGCSA-N 293.330 1.634 0 50 CDAA CC(C)c1nnc(N2CCC(N3CC(O)C3)CC2)s1 2100544896 AIGQNOIAHUWBQC-UHFFFAOYSA-N 282.413 1.307 0 50 CDAA Cc1cccn2c(=O)cc(N3CCOC4(CC4)C3)nc12 2325789536 WRFFUTIXNRJSFI-UHFFFAOYSA-N 271.320 1.372 0 50 CDAA C[C@@H]1C[C@]2(C(=O)N3CC[C@H](c4nccc(O)n4)C3)C[C@H]12 2325791225 CVPVLXQSLLRHIW-RSQPEXBXSA-N 273.336 1.544 0 50 CDAA CN(Cc1nc(O)n[nH]1)C(=O)NCC1CC(C2CCC2)C1 2325803436 GSZONJPEZRVBEN-UHFFFAOYSA-N 293.371 1.478 0 50 CDAA CC(C)N(CCc1nn[nH]n1)C(=O)[C@@]12CCCC[C@@H]1C2 2325808789 YGHRAWAFDYQUSX-BXUZGUMPSA-N 277.372 1.560 0 50 CDAA Cc1nc(C)c(-c2nc(-c3ccc4nnc(O)n4c3)no2)o1 2325870300 ROJJIYQIEJGSHK-UHFFFAOYSA-N 298.262 1.757 0 50 CDAA CN1CC[C@H](CNC(=O)c2ccc(Cn3ccnc3)cc2)C1 109850203 QIMVHHMGQMJYHO-OAHLLOKOSA-N 298.390 1.613 0 50 CDAA COc1ccc(S(=O)(=O)n2ccnc2C)cc1C 380262 WGWGXSVFGMEWFJ-UHFFFAOYSA-N 266.322 1.746 0 50 CDAA CC(C)CNC(=O)c1ccccc1NS(C)(=O)=O 479668 QPUPZUMFBYIHGX-UHFFFAOYSA-N 270.354 1.444 0 50 CDAA Cn1nc(C(=O)N2CCCC2)c2ccccc2c1=O 610307 DRFBTASVUDMPCG-UHFFFAOYSA-N 257.293 1.170 0 50 CDAA COc1cc2c(cc1OC)[C@H](C)N(CCC(N)=O)CC2 620574 MIAYHTHDFIRHNM-JTQLQIEISA-N 278.352 1.498 0 50 CDAA biogenic Cc1ccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1170192 QYFLTWYPVSSONI-QWRGUYRKSA-N 299.442 1.999 0 50 CDAA O=C(CNc1ccc(F)cc1)N[C@@H]1CCC[C@@H](CO)C1 2356144058 IDGJRDABKOSERC-BXUZGUMPSA-N 280.343 1.905 0 50 CDAA O=C(O)[C@H]1CCN(c2ccc(Br)cc2)C1=O 2520438 PHJMARYQKJGPKG-VIFPVBQESA-N 284.109 1.887 0 50 CDAA CC(C)(C)c1cc(N)n(-c2ccc(S(N)(=O)=O)cc2)n1 2548492 ICHSPPIAKJNSMS-UHFFFAOYSA-N 294.380 1.399 0 50 CDAA CC(C)C(=O)NC(=S)NCC(=O)c1ccccc1 2999773 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250.298 1.038 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N(C[C@@H](C)C(=O)O)C1CC1 236860743 AQODPSHLNDCDCH-FBIMIBRVSA-N 255.314 1.123 0 50 CDAA C[C@H]1CCn2cc(C(=O)N3CC[C@](C)(C(=O)O)C3)nc2C1 864097535 YSQKLLPAUBGIBM-BONVTDFDSA-N 291.351 1.402 0 50 CDAA c1cnc(N2CCC[C@@H](NCc3ccco3)C2)nc1 11710974 UHSWGXPLTREWQR-GFCCVEGCSA-N 258.325 1.828 0 50 CDAA CCC1(O)CCN(c2nc(N)nc(C3CCCC3)n2)CC1 865562627 JUCLUMSBNQAXJJ-UHFFFAOYSA-N 291.399 1.853 0 50 CDAA COCn1cc(NC(=O)c2ncn3ccccc23)cn1 1153034689 LSUFSALYPIMLTC-UHFFFAOYSA-N 271.280 1.387 0 50 CDAA CCc1nc([C@H](C)NC(=O)N2CCOCCN2)cs1 1875272022 KRSYZRFPMLZRCP-VIFPVBQESA-N 284.385 1.313 0 50 CDAA Cc1ccc(CN[C@]2(CCO)CCOC2)c(C)n1 1875284998 YRIHMROQVWDCAY-CQSZACIVSA-N 250.342 1.330 0 50 CDAA COC(=O)[C@@]12CCO[C@H]1CN(Cc1ccccc1)C2 1875337177 PRBRMGFBZIXOSR-DZGCQCFKSA-N 261.321 1.451 0 50 CDAA CN1CCC[C@@H](N(C)C(=O)c2cc(C(=O)O)cs2)C1 1875313971 ZSKXQVRGQBKSIO-SNVBAGLBSA-N 282.365 1.613 0 50 CDAA C[C@@H](NCc1cc[nH]n1)c1cnnn1-c1ccccc1 1875346624 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N[C@H]1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 50228889 KYPZCIXZKZJKHN-MFORYBBRSA-N 263.385 1.698 0 50 CDAA CCC1(C(=O)O)CCN(C(=O)c2c(C)ncn2C)CC1 299760561 HSGKVJFEDAOHAH-UHFFFAOYSA-N 279.340 1.446 0 50 CDAA Cc1nc(CN2CCC(CS(C)(=O)=O)CC2)c(C)o1 660615406 PKDDLLZGTYTARM-UHFFFAOYSA-N 286.397 1.548 0 50 CDAA CCc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1 188606204 YIQDTMYISJMISA-QWHCGFSZSA-N 250.317 1.565 0 50 CDAA COCC1(CNc2nc(N)nc3nc[nH]c23)CCC1 312021077 YUEBOPRZKICVOI-UHFFFAOYSA-N 262.317 1.164 0 50 CDAA Cc1nc(NC[C@H]2CNCCOC2)c2sccc2n1 92098484 BPTIKMCUXAYSHP-SNVBAGLBSA-N 278.381 1.648 0 50 CDAA C[C@H]1CN(C2CC2)CCN1C(=O)c1cccc2nccnc12 2100557117 MZSLACADSAWSJJ-LBPRGKRZSA-N 296.374 1.939 0 50 CDAA O=C(C1=C2CCN=C2NC=C1)N1CCCC[C@H]1c1ncc[nH]1 2325768441 BVUFCYPWYLBETG-ZDUSSCGKSA-N 297.362 1.679 0 50 CDAA Cc1cc(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H]4C(=O)O)CC2)on1 2325769474 HSKDAQKSQNUCNR-MXWKQRLJSA-N 290.319 1.479 0 50 CDAA C[C@H]1CCCn2cc(C(=O)NCc3cnc(O)[nH]3)nc21 2325798045 JMGSVYSVDAWKTR-QMMMGPOBSA-N 275.312 1.139 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1c(OC)ccc2c1CCC2 861290390 BGANAHORHOSCMH-UHFFFAOYSA-N 288.347 1.767 0 50 CDAA CC1(C)COC[C@@H]1NCC1(O)Cc2ccccc2C1 894288139 OXXHMXYCBPTCBL-AWEZNQCLSA-N 261.365 1.531 0 50 CDAA O=C(c1cc(O)nc2c1CCCC2)N1CCCc2n[nH]cc21 935709292 UCRPITTYDYLSCE-UHFFFAOYSA-N 298.346 1.982 0 50 CDAA COC(=O)CCC(=O)c1cc(OC)ccc1OC 134855 AYKCBIDKCTWLTO-UHFFFAOYSA-N 252.266 1.840 0 50 CDAA CCCC(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 150149 KJEACTOHSRVJGM-UHFFFAOYSA-N 299.377 1.682 0 50 CDAA O=C(O)C1=NO[C@@H](CNC(=O)c2ccccc2Cl)C1 170243 SOUMEGUWYCUZRB-SSDOTTSWSA-N 282.683 1.299 0 50 CDAA CC(=O)Nc1nonc1-c1nc2ccccc2n1C 244219 JHTMMJOGBQFEQW-UHFFFAOYSA-N 257.253 1.582 0 50 CDAA COC(=O)c1c(C)cc(OC(C)=O)c(C)c1OC(C)=O 447314 RGYSKVJOBMTXIW-UHFFFAOYSA-N 280.276 1.941 0 50 CDAA O[C@@H](C[C@H]1CC2(CCN1)OCCO2)c1ccccc1 1578710 MUYSQNAMKXQDPT-KBPBESRZSA-N 263.337 1.605 0 50 CDAA CCC[C@]1(C(=O)O)CCN(Cc2cccc(C)n2)C[C@@H]1O 2356158979 GWEQIJZDGBVUEO-HOCLYGCPSA-N 292.379 1.828 0 50 CDAA COCCNS(=O)(=O)Cc1ccc(Cl)cc1 2876706 ZJVWJHZXLCVKDO-UHFFFAOYSA-N 263.746 1.406 0 50 CDAA CCOc1ccc(NC(=O)C(=O)NC(C)(C)C)cc1 2892436 WQZWFJVKRFLJGD-UHFFFAOYSA-N 264.325 1.939 0 50 CDAA OCCNCCCOc1ccccc1Br 2898359 AYADDMHTDWTPDV-UHFFFAOYSA-N 274.158 1.800 0 50 CDAA O=S(=O)(c1cccc2nsnc12)n1cccc1 6699700 QWQCLWPWXXJTJD-UHFFFAOYSA-N 265.319 1.730 0 50 CDAA COCC(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 59748845 XYULPASLXQKNOU-UHFFFAOYSA-N 296.411 1.710 0 50 CDAA COCCN(Cc1cccs1)C(=O)[C@H]1CCNC1 55384341 CMVKVZRHOCKVLC-NSHDSACASA-N 268.382 1.333 0 50 CDAA CCOc1ccc(CNc2nnnn2CC)cc1OC 8339979 DKWFBTBXEHGXNH-UHFFFAOYSA-N 277.328 1.712 0 50 CDAA C[C@@H]1CC[C@H](Nc2cnn(CC(=O)NCCO)c2)C[C@H]1C 225361119 OUZKGSBTBOZRAA-UPJWGTAASA-N 294.399 1.228 0 50 CDAA CC(C)CC(=O)N1CCN(C(=O)c2cncc(O)c2)CC1 111775721 HHIJQLLLTZMEBK-UHFFFAOYSA-N 291.351 1.118 0 50 CDAA Cc1nc(CN2CC[C@@H](CNC(=O)C(C)(C)C)C2)c[nH]1 67855454 UEAMPBXEDJDFMV-LBPRGKRZSA-N 278.400 1.702 0 50 CDAA Cc1nc2ccc(C(=O)N3CCN(C)C(=O)C3)cc2nc1C 20540444 QUYKMQSYXBEBDD-UHFFFAOYSA-N 298.346 1.161 0 50 CDAA CS(=O)(=O)c1cc(Br)cc(C(=O)O)c1 116347742 SGQDIUIVEWBSEB-UHFFFAOYSA-N 279.111 1.551 0 50 CDAA Cn1nc2c(c1NC(=O)Cn1ncc3cccnc31)CCC2 23506149 UKIMKQPMTAMODH-UHFFFAOYSA-N 296.334 1.292 0 50 CDAA Cc1c([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)cnn1C 249332394 XAPHCLGEBSWALL-BTQDYEIMSA-N 290.411 1.826 0 50 CDAA CCn1cc(CCN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cn1 348479437 ODMPZZMQALVNQB-XHSDSOJGSA-N 293.411 1.307 0 50 CDAA O=C(O)c1sc(Br)nc1C1OCCO1 1535543736 RCXMSSVPZSDTRK-UHFFFAOYSA-N 280.099 1.649 0 50 CDAA Cc1ccn2c(C(=O)Nc3cnc4n3CCCC4)nnc2n1 67881583 FQXWRFWKGKVTDR-UHFFFAOYSA-N 297.322 1.218 0 50 CDAA CCn1cnnc1[C@@H]1CN(Cc2ccc(C)o2)CCO1 328625196 CYCYCMJFLNMIKU-ZDUSSCGKSA-N 276.340 1.773 0 50 CDAA O=C1N=C(N2CCSCC2)O[C@@H]1c1ccccc1 39255748 DHNJCMSEIKIPAQ-LLVKDONJSA-N 262.334 1.689 0 50 CDAA COC(=O)[C@H]1C[C@H]2CCC[C@@H](C1=O)N2C(=O)OC(C)(C)C 309967605 GIUACIBLSZTGJB-VWYCJHECSA-N 297.351 1.907 0 50 CDAA O=C(O[C@@H]1CCS(=O)(=O)c2sccc21)C1CC1 1398472 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O=C(O)[C@H]1C[C@@H]1C(=O)N1CCC(OC2CCCC2)CC1 262586650 GTFFXZIWHYKPDB-STQMWFEESA-N 281.352 1.657 0 50 CDAA O=C1CC[C@@H](C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)N1 365234892 PSYAXFAHVJAYLF-STQMWFEESA-N 294.301 1.907 0 50 CDAA O=c1c2cccnc2ncn1C[C@H]1CCCC[C@H]1O 32592822 CTNHQLUDXBUAGX-ZYHUDNBSSA-N 259.309 1.343 0 50 CDAA C[C@H](CCn1cccn1)N1CCC2(CC1)CN(C)C(=O)O2 72477244 IFLHBQYUOGELKS-CYBMUJFWSA-N 292.383 1.578 0 50 CDAA C[C@H](c1nncn1C)N1CCCN(c2ccccn2)CC1 367866803 VKEIZVNACGQUNI-CYBMUJFWSA-N 286.383 1.483 0 50 CDAA Cc1ncccc1O[C@H]1CCN(c2cnccn2)C1 369498501 BSUNIPKTYGNASM-LBPRGKRZSA-N 256.309 1.838 0 50 CDAA Cc1csc2c(=O)n([C@H](CO)C(C)C)cnc12 32529602 LTWPANZXTIIQFC-SECBINFHSA-N 252.339 1.956 0 50 CDAA CC1(C)CN(C(=O)c2cccc(OCC(=O)O)c2)CCO1 262084907 HJHRMKBSEJBNIC-UHFFFAOYSA-N 293.319 1.401 0 50 CDAA CNc1nc(CN2CCC[C@@]3(C2)CN(C)C(=O)O3)cs1 72146802 DNIVCRDQYIROJC-ZDUSSCGKSA-N 296.396 1.601 0 50 CDAA CN(C)Cc1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)cn1 376154233 DPDZWTJIVJKUTC-HNNXBMFYSA-N 299.378 1.844 0 50 CDAA CCn1cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cn1 373342181 WFYPPITUMDGZQG-AWEZNQCLSA-N 289.383 1.572 0 50 CDAA CN(C)C[C@H]1CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 172171570 VENPWQRWWVTFJD-SNVBAGLBSA-N 262.357 1.311 0 50 CDAA NC(=O)Cc1ccccc1NC(=O)c1cccc(C(=O)O)c1 237893747 XWZLPPULSDSNKI-UHFFFAOYSA-N 298.298 1.665 0 50 CDAA C[C@@H](C(=O)N1CC[C@@H](Cc2ccccc2)C1)n1cncn1 172631939 MDKDJBVQNROFHS-ZFWWWQNUSA-N 284.363 1.930 0 50 CDAA OC[C@@H]1CC[C@H](CN[C@@H]2COc3ccccc3C2)O1 521394271 BDVWZNBOTNOHLY-MJBXVCDLSA-N 263.337 1.120 0 50 CDAA CC(C)Cn1cncc1CNC(=O)c1ncccc1O 221432251 VPVMMEIKJUJWMD-UHFFFAOYSA-N 274.324 1.570 0 50 CDAA COC[C@@H]1CCN(C(=O)CSc2ccncc2)C1 223540407 AUSMYHVHKQJSMQ-LLVKDONJSA-N 266.366 1.669 0 50 CDAA O=C1c2ccccc2N[C@H]2c3ccccc3S(=O)(=O)N12 221275307 AQUBCEYHEGARJF-CYBMUJFWSA-N 286.312 1.955 0 50 CDAA CC[C@H](NC(=O)C1(C(N)=O)CC1)c1cccc(C)n1 222918981 CNYUSMGIGQUFJD-JTQLQIEISA-N 261.325 1.223 0 50 CDAA Cc1nnc(-c2cccc(NC(=O)c3nccnc3N)c2)o1 174386669 DQNXCECYBWBEDN-UHFFFAOYSA-N 296.290 1.670 0 50 CDAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1cccc2ccoc12 263258298 WDCGZFRGLVKLSH-MRVPVSSYSA-N 283.305 1.526 0 50 CDAA C/C=C(\C)C(=O)N1CCC(c2nnc(S)n2C)CC1 176006572 QOSBYWITYFWJQW-RUDMXATFSA-N 280.397 1.776 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N1CCC[C@H](CCC(=O)O)C1 263419736 KUXUGYCLTXSFHQ-FMCLSXCISA-N 283.368 1.903 0 50 CDAA CNC(=O)c1ccc(CNC(=O)C[C@@H]2CCCOC2)o1 426401786 HRQWBJABFAVEJS-JTQLQIEISA-N 280.324 1.072 0 50 CDAA Cc1cc(C(=O)N2CCO[C@@H](c3ccco3)C2)on1 176723889 WAVYETZPWSDMSY-GFCCVEGCSA-N 262.265 1.790 0 50 CDAA O[C@H](COCc1ccc(Cl)cc1)CN1CCC[C@@H](O)C1 229106604 AHSNMAFOVLSLQC-CABCVRRESA-N 299.798 1.674 0 50 CDAA O=C([C@H](O)c1ccccc1)N1CCC[C@@H]1c1ccc(O)nn1 530078414 GJSWJDXGPYSFCI-UKRRQHHQSA-N 299.330 1.579 0 50 CDAA CC[C@@H](OC)C(=O)N1CCN(c2ccccc2C)C(=O)C1 82156098 GBAQXUBBVJGQST-CQSZACIVSA-N 290.363 1.595 0 50 CDAA O=C(CCCc1cn[nH]c1)N[C@H](CO)C1CCCCC1 97425675 KHXOGWCCTKMGED-CQSZACIVSA-N 279.384 1.790 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@@H](C)c2nnc(C(C)C)o2)o1 426424194 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1.321 0 50 CDAA CSCC(=O)N1CC[C@](O)(C2CCC2)[C@@H](C)C1 1565514185 DMGYJXXYWYVTDF-GXFFZTMASA-N 257.399 1.749 0 50 CDAA COCC1(C)CCN(C(=O)Nc2cnns2)CC1 408365299 GEIKLXYCIULUCC-UHFFFAOYSA-N 270.358 1.819 0 50 CDAA CC(C)(CNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(F)cc1 268882607 FCQMYKFBIWBYHD-VXGBXAGGSA-N 279.311 1.940 0 50 CDAA COC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 95743351 FZDJDEXABKVIDA-UHFFFAOYSA-N 255.314 1.807 0 50 CDAA in-vitro CCOC(=O)[C@H]1CC[C@@H](N)[C@H](NC(=O)OC(C)(C)C)C1 95743377 STWAQGKVYHZJCJ-HBNTYKKESA-N 286.372 1.570 0 50 CDAA in-vitro O=C(O)C1(C(=O)Nc2c[nH]ccc2=O)CCCCCC1 663066504 LZXNTBCJHHUICV-UHFFFAOYSA-N 278.308 1.739 0 50 CDAA O=C(O)c1cccnc1N1CCC(C(=O)O)CC1 169599680 VTHGYDXDECMYTD-UHFFFAOYSA-N 250.254 1.081 0 50 CDAA CC(C)c1nnc(CN[C@H](C)[C@@H]2CCCO2)n1C 170077376 ZDGUHGQCRZSDEN-MNOVXSKESA-N 252.362 1.596 0 50 CDAA COC(=O)[C@@H](CCOC(C)C)N[C@@H]1CCSC1 170616009 POJZCMBIZPLCIP-GHMZBOCLSA-N 261.387 1.438 0 50 CDAA CN(C)CCn1ncc2c([nH]c3ccccc32)c1=O 642118376 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262.353 1.402 0 50 CDAA CC(=O)Nc1cc(F)c(C)c2c1C(=O)[C@H](NC(C)=O)CC2 167284268 UNQLSBJKEGXCGH-GFCCVEGCSA-N 292.310 1.726 0 50 CDAA Cc1cnc([C@H](C)NC(=O)c2ncc(F)cc2F)[nH]1 1857684694 YTQHOLOMVAMOIB-ZETCQYMHSA-N 266.251 1.882 0 50 CDAA COc1cc(F)ccc1N1CCN([C@@H](C)C(=O)O)CC1 237182788 ZSOAZFCATHVYQL-JTQLQIEISA-N 282.315 1.429 0 50 CDAA Cc1nc(N2CCC[C@@H]2c2nncn2C)c2cnn(C)c2n1 408062316 YQWHQTBWIJBYMT-LLVKDONJSA-N 298.354 1.142 0 50 CDAA O=C(NCCCn1cncn1)C1(N2CCCC2)CCCC1 220118037 OVNUYQJTBHZCFQ-UHFFFAOYSA-N 291.399 1.193 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)O 2568084 JLBCSWWZSSVXRQ-JTQLQIEISA-N 266.297 1.602 0 50 CDAA in-vitro CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc[nH]n1 113073858 NQAJLBMSLPUALG-MWLCHTKSSA-N 296.396 1.086 0 50 CDAA CC[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ncc[nH]1 632043929 UVAAESFOXDOQQC-VXGBXAGGSA-N 298.412 1.047 0 50 CDAA Cc1ccc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(O)c1C 333463376 MBERTBYOHCQADM-NSHDSACASA-N 286.335 1.757 0 50 CDAA Cn1ccnc1[C@H]1CCN(C(=O)NCc2ccccn2)C1 334192834 IYVDTOJTYSSOAC-LBPRGKRZSA-N 285.351 1.514 0 50 CDAA COc1ccc(CCC(=O)N2CCC[C@H]2CN)cc1F 262591662 FKHDETXBQUPJFZ-LBPRGKRZSA-N 280.343 1.717 0 50 CDAA CCCC[C@@](C)(CO)NC(=O)c1c[nH]c(C)cc1=O 585089846 MGVWMDYDVIALIO-AWEZNQCLSA-N 266.341 1.354 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(c2ccc(F)cc2)C1 802621598 GEFKJHUMQQFQNO-SMDDNHRTSA-N 293.338 1.671 0 50 CDAA O=S(=O)(c1ccoc1)N1CCC[C@@H](n2ccnn2)CC1 907354603 LIOXCPQMKHQTJW-LLVKDONJSA-N 296.352 1.287 0 50 CDAA CC(C)(O)CCC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907965515 ODYSIWMFXRWHFG-XWLWVQCSSA-N 269.341 1.153 0 50 CDAA CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 19811049 CPAAGSKBQIRLJR-UHFFFAOYSA-N 251.305 1.012 0 50 CDAA Cc1ccc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)o1 864376718 DIHHWHVLTNQCQD-SECBINFHSA-N 260.297 1.523 0 50 CDAA Cc1noc([C@@H]2C[C@@H](O)[C@@H](CNCc3ccncc3)C2)n1 952849071 GDOIPMDJOTYUQX-BFHYXJOUSA-N 288.351 1.417 0 50 CDAA C=C=CCNS(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 952993700 POEYMMWMTRFEFP-NEPJUHHUSA-N 257.355 1.205 0 50 CDAA CO[C@H](C)c1nc(CN2C(=O)CCNC2=O)cs1 1875278821 JYOWUSSFYWDPNE-SSDOTTSWSA-N 269.326 1.292 0 50 CDAA Cc1cc(CN[C@H](C)C2(O)CCOCC2)ccn1 1875284904 UGQKMLIBPLRBKE-GFCCVEGCSA-N 250.342 1.410 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc2c(c1)C[C@@H](C)O2 1875273036 YKNQAESNTIMPIK-HMDXOVGESA-N 275.304 1.469 0 50 CDAA COC(=O)/C=C/CNC(=O)c1noc2c1C[C@H](C)CC2 1875273168 CSIIEQRRLFYPMJ-CDAZIORVSA-N 278.308 1.258 0 50 CDAA CN(C)c1nc(N(C)C[C@H](O)C2CC2)c2ccccc2n1 1875286932 NVQVKJKOCNCEIU-AWEZNQCLSA-N 286.379 1.903 0 50 CDAA CC(=O)N1C[C@@H](O)[C@H](Oc2cccc3c2CCC3)C1 1875321329 DSPWZFVCNZREQI-UKRRQHHQSA-N 261.321 1.146 0 50 CDAA CC[C@H]1C(=O)NCCCN1C(=O)[C@@H](C)c1ccccn1 886529838 XNMBJFFYGATOMP-AAEUAGOBSA-N 275.352 1.312 0 50 CDAA Cc1n[nH]cc1C(=O)N1CCOc2ccccc2[C@@H]1CO 887108222 ZVDJTIDJYYUZCD-ZDUSSCGKSA-N 287.319 1.286 0 50 CDAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC=C(N)N1 887556495 VSXQZDVWZQFUPY-SSDOTTSWSA-N 285.706 1.393 0 50 CDAA O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1ccnc2ccnn12 889008941 PKJYUCBSJDAVJS-NEPJUHHUSA-N 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291.282 1.448 0 50 CDAA CCCO[C@H]1CCCN(Cc2c(CO)cnc(C)c2O)C1 952860331 MKVZBHMHZBFOLA-AWEZNQCLSA-N 294.395 1.979 0 50 CDAA O=C(NOC1CCCC1)[C@@H]1Cc2cc(F)ccc2NC1=O 1566867387 OPQLQEPYSCLOIV-GFCCVEGCSA-N 292.310 1.927 0 50 CDAA Cc1cccc(C(=O)N2CC[S@](=O)C[C@H](C)C2)n1 408398790 XWKYTHQDCZCOAA-MGNBDDOMSA-N 266.366 1.231 0 50 CDAA Cn1cc(C[C@H]2CCN(Cc3ccc(CO)cc3)C2)cn1 305828503 NIEJJBCSAMEKJK-MRXNPFEDSA-N 285.391 1.977 0 50 CDAA Cc1cc(N(CC(N)=O)CC(C)C)nc(-c2ccncc2)n1 165661394 VKGRJWMYAPXHAL-UHFFFAOYSA-N 299.378 1.795 0 50 CDAA C[C@H](C(=O)Nc1cc(C(F)(F)F)ccn1)n1cncn1 170593475 QHIVHEOFBCDFND-SSDOTTSWSA-N 285.229 1.892 0 50 CDAA O=C1CCc2cc(C(=O)N3CCCCO3)ccc2N1 170603909 IKVHCKKOIDUPIA-UHFFFAOYSA-N 260.293 1.739 0 50 CDAA COc1ccc(C(=O)N2CC(=O)CC2(C)C)c(OC)c1 170619893 CVSUYDFJQPOBCM-UHFFFAOYSA-N 277.320 1.897 0 50 CDAA C[C@H](NC(=O)c1cn2c(n1)COCC2)c1ncccc1F 633392714 BIPBNYKYKQOGCW-VIFPVBQESA-N 290.298 1.438 0 50 CDAA CCc1cnc(CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)[nH]1 635601183 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1529114245 NQJNCCLGUBVUTI-UHFFFAOYSA-N 282.394 1.956 0 50 CDAA O=C(c1nnc(C2CCOCC2)o1)N1CCCC1 1118063735 VBQYLTIYZSEOGC-UHFFFAOYSA-N 251.286 1.200 0 50 CDAA Cc1cnnc(N2CCc3c(O)ncnc3C2)c1C 1857675060 JHCBHZXCKJXQCV-UHFFFAOYSA-N 257.297 1.152 0 50 CDAA O=C(Cc1ccc(O)c(Cl)c1)N1C[C@@H](O)[C@H](F)C1 1857686333 RIYWEIVMFFBPAT-MWLCHTKSSA-N 273.691 1.129 0 50 CDAA CCc1ccccc1OCC(=O)NC1(C(=O)O)CC1 237034272 GKSISHUCRRHUAY-UHFFFAOYSA-N 263.293 1.361 0 50 CDAA O=C([C@@H]1CCCCO1)N1CCOC[C@H]1C1CCC1 335407115 URLNGJUOGPUANW-STQMWFEESA-N 253.342 1.583 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)Cc1ncc(CC)s1 859829680 HNHFPUXNNCDMHV-UHFFFAOYSA-N 281.381 1.308 0 50 CDAA Cc1nsnc1C(=O)N(C)[C@H](C)Cc1cnccn1 1775977033 FNCLITUNEYMYHR-MRVPVSSYSA-N 277.353 1.340 0 50 CDAA C[C@]12C[C@@H]1CN(C(=O)CN1CCc3ccccc3C1)C2 1775981684 MUKAIYMWCHCGAC-NVXWUHKLSA-N 270.376 1.913 0 50 CDAA O=c1cc(CSc2nc3ccccc3o2)[nH]c(=O)[nH]1 5519519 LQDFIXBBHPXOCE-UHFFFAOYSA-N 275.289 1.497 0 50 CDAA Cc1ccc(C)c(OCCOCCNCCN)c1 19772336 DDUAKWWIGIGYEN-UHFFFAOYSA-N 252.358 1.247 0 50 CDAA COc1cccc(Cc2noc(C[C@@H]3CCC(=O)N3)n2)c1 19957850 LUCWGZVRONYMKL-NSHDSACASA-N 287.319 1.490 0 50 CDAA Cc1cnc(CCNC(=O)[C@H]2C[C@H]3C[C@@H](N)[C@H]3C2)c(C)c1 1857532623 PLMYNUNFKSFRPH-ZQDZILKHSA-N 287.407 1.731 0 50 CDAA CN(C)C[C@H]1[C@H]2CN(C(=O)C3CCCC3)C[C@]23CC[C@H]1O3 1857729155 KXTBTNGTTHOPKQ-KLZNWCGWSA-N 292.423 1.744 0 50 CDAA Cc1c(C(=O)N2CCO[C@H](c3cccnc3)C2)ccn1C 1857670043 MSOQNEOCLBVDFJ-HNNXBMFYSA-N 285.347 1.942 0 50 CDAA Cc1cccc(-c2nccn2[C@@H]2CC[C@@H](O)[C@@H]2O)c1 1857719266 HUSGMXAFVSTTSI-MGPQQGTHSA-N 258.321 1.915 0 50 CDAA CC[C@@]12COC(=O)N1CCN(c1nccs1)C2 1857723315 ZNVRGWFXSBTZOZ-LLVKDONJSA-N 253.327 1.564 0 50 CDAA C[C@@H]1CCN(CC(=O)NCc2nc3ccc(F)cc3[nH]2)C1 553497334 BUOJILJYPHZPDS-SNVBAGLBSA-N 290.342 1.660 0 50 CDAA Cc1noc(C)c1C(=O)N=c1cc(-c2ccco2)[nH][nH]1 1875251253 SWARJHPRTATUMB-UHFFFAOYSA-N 272.264 1.949 0 50 CDAA COc1ccc(CN2CCC(C(N)=O)CC2)cc1OC 4715626 SHMNGPIOUXLIAU-UHFFFAOYSA-N 278.352 1.401 0 50 CDAA Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H]2C(=O)O)cn1 237731267 SRUPSYXOBIHZSA-CQSZACIVSA-N 299.330 1.870 0 50 CDAA Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)ncn1 653327900 BBRZFLYFKCVEBE-STQMWFEESA-N 297.314 1.828 0 50 CDAA CNc1cc(N2CCC[C@@H]2CN=c2ccnc(C)[nH]2)ncn1 361001271 DXLSBLXYBHCQTQ-GFCCVEGCSA-N 299.382 1.120 0 50 CDAA C[C@H](NC(=O)c1cccc(C(=O)O)c1)[C@@H]1CCOC1 161032087 ZWWFFGRRVJKEMD-JOYOIKCWSA-N 263.293 1.540 0 50 CDAA Cc1ccnc(CNC(=O)CCc2ccccc2O)n1 911011225 DEXQPTVSRKTCIZ-UHFFFAOYSA-N 271.320 1.740 0 50 CDAA Cc1ncc(CN2CCC[C@H](c3nc(O)n[nH]3)C2)o1 930498802 PTUULCIZIDNHGT-VIFPVBQESA-N 263.301 1.186 0 50 CDAA Cc1nccn1CCCN1CC(=O)NC[C@H]1c1ccccc1 933325241 KDPQRGXIMICVLX-INIZCTEOSA-N 298.390 1.755 0 50 CDAA C=CC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)OC 1120552418 ACABZLSQWMPTIC-YPMHNXCESA-N 261.321 1.709 0 50 CDAA C[C@H]1CCn2ncc(C(=O)N(C)c3cn[nH]c3)c2C1 843810707 MHOPHFCMCPQLDH-VIFPVBQESA-N 259.313 1.465 0 50 CDAA C[C@@H]1O[C@H](C)C[C@H]1C(=O)NOCc1cccnc1 866864072 SOBCSYHAYKOLDF-JFGNBEQYSA-N 250.298 1.443 0 50 CDAA Nc1nnc(CC(=O)N[C@@H]2C[C@H]2C2CCCCC2)s1 952994493 VWXAELDCJXLCER-VHSXEESVSA-N 280.397 1.748 0 50 CDAA Cc1ccc(-c2noc([C@H]3CCC(=O)NC3)n2)c(O)n1 1875265106 CNMMCONBJXCWFX-QMMMGPOBSA-N 274.280 1.139 0 50 CDAA C[C@@H](N)[C@H]1CCCN(c2nnc(-c3ccon3)s2)C1 1875282260 VMRPHGCNFUEMDV-BDAKNGLRSA-N 279.369 1.757 0 50 CDAA Cc1cc(CNC(=O)[C@H]2CCN3CCOC[C@H]23)cc(C)n1 1875294774 WVTXBONQILUGJU-LSDHHAIUSA-N 289.379 1.035 0 50 CDAA COC(=O)/C=C/CNC(=O)CCn1nc(C)c(C)c1C 1875311886 ONRHWXPSDJHKRR-AATRIKPKSA-N 279.340 1.044 0 50 CDAA Cc1nc([C@@H]2CCN(c3ccc4c(C)nn(C)c4n3)C2)no1 1875321125 VPAQMWLFQWJSBX-LLVKDONJSA-N 298.350 1.962 0 50 CDAA C=CC(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1875368140 UCDHAJALGSENMQ-LLVKDONJSA-N 298.383 1.439 0 50 CDAA C=CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C 1776000193 LXCVMLFSIRPQTI-YPMHNXCESA-N 258.321 1.478 0 50 CDAA CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCS1(=O)=O)C(F)(F)F 1776005428 BQDXZOPMDVPQTF-BIIVOSGPSA-N 287.303 1.267 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 237467925 VUDUCYRUMQPPRO-NWDGAFQWSA-N 280.343 1.790 0 50 CDAA C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@H]2C)C[C@@H](C)O1 255268608 BSRMMUJMDWPTDD-AAVRWANBSA-N 268.401 1.885 0 50 CDAA Cc1nc(C(=O)N(CC(F)F)C2CC2)ccc1C(=O)O 263348572 OSWRWZCMVQGUCV-UHFFFAOYSA-N 284.262 1.958 0 50 CDAA COC(=O)[C@@H]1CCCCN1C(=O)c1ccn(C(C)C)n1 264942270 ZLPUXSHGWJHDKQ-LBPRGKRZSA-N 279.340 1.632 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(F)c(F)c3F)C[C@H]21 170078288 XNOJANNEYKOPGR-BCMRRPTOSA-N 284.281 1.913 0 50 CDAA CC(C)c1nsc(NCc2nc(C(N)=O)co2)n1 664195092 LBBQHMFIDPWAKG-UHFFFAOYSA-N 267.314 1.361 0 50 CDAA CS(=O)(=O)N1CCC[C@H](N[C@H]2CCC23CCCC3)C1 336310770 BXWOMOJIZQDLRV-STQMWFEESA-N 286.441 1.723 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1ccc2ccncc2c1 653046941 XEQNEVVIWYACPE-LLVKDONJSA-N 255.321 1.669 0 50 CDAA Nc1ccccc1S(=O)(=O)N[C@@H]1CC12CCOCC2 387326812 RPXGREOZUDKRPD-GFCCVEGCSA-N 282.365 1.116 0 50 CDAA Clc1nc(I)cn2ccnc12 1083805760 ZOUQDUQFRRRKOI-UHFFFAOYSA-N 279.468 1.987 0 50 CDAA C[C@H]1C[C@H]1c1noc(CC(=O)NOC2CCC2)n1 2325798078 LVALGZQBLRHFKL-IONNQARKSA-N 251.286 1.336 0 50 CDAA O=C(Nc1ccccc1)C1(c2nn[nH]n2)CC2(CC2)C1 2325806526 JWVOGVKBVVGKSN-UHFFFAOYSA-N 269.308 1.650 0 50 CDAA CN1CCN(c2ccc(-c3ccccc3O)cc2N)CC1=O 2325865767 PPKRDMOLFIBHCF-UHFFFAOYSA-N 297.358 1.920 0 50 CDAA N=c1cc(-c2noc(CC3(C4CC4)CC3)n2)nc[nH]1 2325890330 AFLDBQDWLATOLV-UHFFFAOYSA-N 257.297 1.672 0 50 CDAA OCc1nnn(-c2ccc(Br)cc2)c1CO 105907 URDXWQDIIFQSPD-UHFFFAOYSA-N 284.113 1.014 0 50 CDAA COc1ccc(C(=O)Nc2nncs2)c(OC)c1 338636 CBBLUPCVEXDGFP-UHFFFAOYSA-N 265.294 1.808 0 50 CDAA aggregator CC(C)(C)OC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C 406499 MPNWQUWKRDADHK-JTQLQIEISA-N 285.340 1.907 0 50 CDAA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccsc1 1064608 IMXSRMUHYBMURO-SNVBAGLBSA-N 276.321 1.802 0 50 CDAA Cc1nc2ccnn2c(N[C@H]2CCCCNC2=O)c1C 2356152465 KRRQBPYGGVQQAE-NSHDSACASA-N 273.340 1.427 0 50 CDAA CCCN1Cc2nnc(-c3ccccn3)n2[C@@H](C)C1=O 2356158814 AOGMUOOFSORRQG-JTQLQIEISA-N 271.324 1.653 0 50 CDAA O=C(Cc1ccccc1)OCCNC(=O)c1cccnc1 2665422 UYWSQSWMSPEBTH-UHFFFAOYSA-N 284.315 1.597 0 50 CDAA Cc1ccccc1NC(=O)C(=O)NCCCOC(C)C 2959868 UPMKXQGZZDHMPZ-UHFFFAOYSA-N 278.352 1.865 0 50 CDAA Cc1[nH]nc(O)c1C(c1ccccn1)c1c(O)n[nH]c1C 4535160 FUHTWHPXHRGRDR-UHFFFAOYSA-N 285.307 1.736 0 50 CDAA COCc1nnc2n1N=C(c1ccccc1)CS2 6661524 YXBGXKNOFXSPJD-UHFFFAOYSA-N 260.322 1.783 0 50 CDAA C[C@@H]1Cc2cc(C(=O)NC3CC3)ccc2N1S(C)(=O)=O 8077247 WOMWZNKOCFASBB-SECBINFHSA-N 294.376 1.289 0 50 CDAA CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](CO)c2ccccc21 221932650 YXNNMLJUGQECKL-NILFDRSVSA-N 274.364 1.418 0 50 CDAA COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H](C)C1=O 55378732 IVBZCMSOGWPACW-AAEUAGOBSA-N 261.321 1.497 0 50 CDAA CO[C@@H]1CCN(C(=O)c2cc(C)c(F)cc2F)[C@H](CN)C1 136251516 LKXRCPRKUWTALT-WDEREUQCSA-N 298.333 1.852 0 50 CDAA CCOc1ccc(N2C(=O)C[C@H](NC(C)C)C2=O)cc1 105187831 KYPPQCGLABCQRP-ZDUSSCGKSA-N 276.336 1.715 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)CCc3cscn3)C[C@@H]21 248564814 BLVIOZXPUQQPNT-ADEWGFFLSA-N 265.382 1.271 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1c1nccs1)[C@H]1C=C[C@H]2C12CC2 100734732 HBEUBZNIGMQIGT-IMSYWVGJSA-N 272.329 1.845 0 50 CDAA Cc1cccn(Cc2ccn(CC(F)(F)F)n2)c1=O 418870465 PKDKZYMNDOFTPS-UHFFFAOYSA-N 271.242 1.964 0 50 CDAA CC(=O)NCCCc1nc(C)nn1-c1ccc(F)cc1 65454823 AITOIXIZZHRUDE-UHFFFAOYSA-N 276.315 1.784 0 50 CDAA COc1ccnc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c1 116167741 IHKWRQSMNIUITL-UHFFFAOYSA-N 296.290 1.523 0 50 CDAA CC(C)c1ccc(C(=O)NC(=S)NCCCO)cc1 10452621 PTEXBMCSAHZPIG-UHFFFAOYSA-N 280.393 1.797 0 50 CDAA O=C(NCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCOC1 67679369 RPCVBDVSEXBSTO-MRVPVSSYSA-N 279.727 1.869 0 50 CDAA COCCCN1CC[C@H](CNC2CCSCC2)C1 65529410 UPWTZWOOIOSNAI-CYBMUJFWSA-N 272.458 1.830 0 50 CDAA COC(=O)CC(=O)Nc1ccccc1C(=O)N1CCCC1 20113900 PPAYUYWKSCFPFR-UHFFFAOYSA-N 290.319 1.424 0 50 CDAA CCS(=O)(=O)CCN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 250247753 PZAVNJFWDOCEFN-WOPDTQHZSA-N 289.397 1.139 0 50 CDAA CC1(C)CNC(=O)c2nc([C@@H](O)c3cccnc3)[nH]c2C1 65387978 ZLQARSCUQWRNRL-LBPRGKRZSA-N 286.335 1.199 0 50 CDAA CCCCN1CCN(Cc2ncccc2C(=O)O)CC1 65395913 CIUUZHLWXYSXPU-UHFFFAOYSA-N 277.368 1.698 0 50 CDAA Cn1nnc2cc(C(=O)Nc3cnc4n3CCCC4)cnc21 67692013 GGSJISKVMABZOA-UHFFFAOYSA-N 297.322 1.148 0 50 CDAA CCc1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1 229106355 XTSUHRSJVKLUIQ-HUUCEWRRSA-N 279.380 1.445 0 50 CDAA CCn1ncc2c1C(=O)N[C@@H]1c3ccccc3C(=O)N21 522708 HEMYHYKXMVUSKP-LBPRGKRZSA-N 268.276 1.305 0 50 CDAA CN1CCCC[C@@H]1CCn1cnc2ccncc2c1=O 32560976 DVQGFBXWHDCLOY-GFCCVEGCSA-N 272.352 1.666 0 50 CDAA Cc1cc(C)n([C@H]2CCN(c3nc(C)nc4c3CNC4)C2)n1 72163116 NBTOWULDRIJMLZ-ZDUSSCGKSA-N 298.394 1.653 0 50 CDAA CCOC[C@H](C)N[C@H]1CCO[C@@H](c2cncn2C)C1 328620843 ADNDTYIVBWNGTJ-SGMGOOAPSA-N 267.373 1.655 0 50 CDAA O=C(NCC12CCC(CC1)C2)N1CC[C@@]2(CCNC2)C1 334929356 HXMYPMFPPIKHPM-AVVWSFFYSA-N 277.412 1.962 0 50 CDAA CC(C)(C)OC(=O)NC[C@@H]1CC2(CCNCC2)CO1 215644335 UDRFMMANEMUIEH-NSHDSACASA-N 270.373 1.670 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)N1CCc2ccccc21 129682827 VHQGPVCHSRZTBE-GFCCVEGCSA-N 290.319 1.345 0 50 CDAA O=C(NCCCn1ccccc1=O)c1ccn(C(F)F)n1 218897541 MOMDMGLPPFWIMD-UHFFFAOYSA-N 296.277 1.260 0 50 CDAA CN(C)[C@@H](C(=O)O)C(O)(c1ccccc1)c1ccccc1 71771722 ZLCSJOOWDDEXPM-HNNXBMFYSA-N 285.343 1.937 0 50 CDAA COc1cccc(CCNC(=O)CCc2ccncc2)n1 440654843 ANTBFIAZALPLSH-UHFFFAOYSA-N 285.347 1.777 0 50 CDAA Cc1n[nH]cc1CCCN1C(=O)[C@@H]2CCCCCN2C1=O 368451452 WKFYAJQFWJMUED-ZDUSSCGKSA-N 290.367 1.858 0 50 CDAA CC[C@@H](CNC(=O)C(=O)N1CCc2ccccc2C1)OC 71775862 HSTXUVOYRHSAHX-AWEZNQCLSA-N 290.363 1.113 0 50 CDAA O=C(CNC(=O)c1cccnc1S)Nc1ccccn1 158495124 QLCBDENPOQPTBR-UHFFFAOYSA-N 288.332 1.134 0 50 CDAA O=C(CC[C@H]1CCC(=O)N1)NC[C@H]1CCCCC1(F)F 333029479 BMBGHIVRFCFYGA-MNOVXSKESA-N 288.338 1.987 0 50 CDAA C[C@H](C(=O)N1CCCCCC1)N1CC[C@H](c2nc[nH]n2)C1 333325192 AFBTYUHNJFZQEV-OLZOCXBDSA-N 291.399 1.385 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1cccnc1 333608704 XRXOPAIFVQAYNW-XDQVBPFNSA-N 268.316 1.779 0 50 CDAA C[C@H]1C(=O)CC[C@H]1CC(=O)NC[C@@H]1CCC[C@H]1O 333630391 BFLPKNZQZPPBMU-MPPDQPJWSA-N 253.342 1.269 0 50 CDAA CCOc1cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)on1 449862084 VCFMQYVICMXOEA-SECBINFHSA-N 276.296 1.084 0 50 CDAA O=C(O)CNC(=O)CCn1ccc2ccc(Cl)cc21 40313040 AUYXEEDSODKUJF-UHFFFAOYSA-N 280.711 1.886 0 50 CDAA biogenic C[C@H](O)[C@H]1CCCCN1C(=O)c1cc2cccnc2[nH]1 334720803 ABHMTAXRMNOQRU-GXFFZTMASA-N 273.336 1.938 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1 238096691 XQXYNIVJCWOXGF-NSHDSACASA-N 285.303 1.419 0 50 CDAA COc1ccc(CN2CCC[C@](O)(C(N)=O)C2)cc1Cl 284829437 MPLYPHDEPKIALK-CQSZACIVSA-N 298.770 1.161 0 50 CDAA CCOC(=O)CCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 239352753 ADKWJLPWNCWVKV-DZGCQCFKSA-N 280.412 1.888 0 50 CDAA CC[C@H](C(=O)OC)C(=O)N1CC[C@@H](C)[C@H](OC)C1 338877124 JMFMIOPWNGMXRK-OUAUKWLOSA-N 257.330 1.069 0 50 CDAA Cc1ncc(C(=O)N[C@H](C)[C@@H](C)C(=O)O)c(C(C)C)n1 263492571 XCRFKXWFYFWYSH-RKDXNWHRSA-N 279.340 1.747 0 50 CDAA CCO[C@@H](C)C(=O)N(C)CCCc1c(C)n[nH]c1C 426620286 SBDSAECTQLOWAE-LBPRGKRZSA-N 267.373 1.843 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCOCC2)[C@H](CN)C1 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1.633 0 50 CDAA O=C(Nc1cccc(CO)c1)C12CCCN1CCC2 279202047 LEJNEFZIXNIMLB-UHFFFAOYSA-N 260.337 1.746 0 50 CDAA COc1ccnc(C[S@](=O)CC2CCOCC2)c1OC 552010842 WVUZMCIQSVKQIC-HXUWFJFHSA-N 299.392 1.774 0 50 CDAA CO[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2C)C1 191042866 DPGMGRKKCGKMDI-KBPBESRZSA-N 283.393 1.982 0 50 CDAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1cc(C)ccc1F 707943190 ZCJMAIUAHZFLJF-SECBINFHSA-N 289.328 1.618 0 50 CDAA Cc1cc(CC(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)no1 644807821 GLYACXRXPWYYCP-SCZZXKLOSA-N 291.273 1.406 0 50 CDAA c1cnc(CN2CCCC[C@H]2CN2CCOCC2)nc1 192047729 UYAYLJFGTCDGBI-AWEZNQCLSA-N 276.384 1.163 0 50 CDAA CC(C)(C)c1ccc(=NC(=O)N2CC[C@@](F)(CO)C2)[nH]n1 585080418 NQATXEUXEJNHHN-AWEZNQCLSA-N 296.346 1.134 0 50 CDAA CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C 195251253 SQFIHMUREXTWDH-DDHJBXDOSA-N 263.403 1.765 0 50 CDAA COc1nc2ccccc2cc1CNC[C@H]1CCCNC1=O 657284169 NNSXOZYSAQOLGH-CYBMUJFWSA-N 299.374 1.859 0 50 CDAA CN(C(=O)c1ccc2c(c1)OCCO2)[C@H]1C[C@@H](C(=O)O)C1 659228117 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278.356 1.372 0 50 CDAA COc1ccc(Cl)cc1CC(=O)N(C)[C@@H]1CCNC1 179045606 FAPLTHNSCXFGEI-GFCCVEGCSA-N 282.771 1.711 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(Cl)cc2C)C1 311825289 OBDFJMOLGUQYFZ-RYUDHWBXSA-N 283.755 1.870 0 50 CDAA CCC[C@@H](CC(=O)O)NC(=O)c1nn(C)cc1Cl 426442812 BJMYSOKGBYZQMJ-ZETCQYMHSA-N 273.720 1.447 0 50 CDAA OCC1(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)COC1 384487877 JCFHIXFRVYZFHA-MGPQQGTHSA-N 269.385 1.011 0 50 CDAA O=C(O)[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1O 2100483506 ZZFUUACHHAPRJL-ZIAGYGMSSA-N 297.326 1.362 0 50 CDAA COc1ccc2[nH]cc(CCN3C(=O)CCC3=O)c2c1 294774 RCTPYAYXDAHLPX-UHFFFAOYSA-N 272.304 1.868 0 50 CDAA O=C(/C=C/c1cnccn1)O[C@H](c1ncccn1)C1CC1 2325774700 JTEWCFSDJJETAW-NNTXTVRGSA-N 282.303 1.974 0 50 CDAA O=C(NC[C@@H]1CCSC1)c1n[nH]cc1-c1ccncc1 2325798069 LIVIJJBEMUHFCG-JTQLQIEISA-N 288.376 1.955 0 50 CDAA Nc1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1 381992 WKYXZZIRFDZAPJ-UHFFFAOYSA-N 287.363 1.741 0 50 CDAA CC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 472575 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1.570 0 50 CDAA CN1CCC[C@@H]1c1ccc(C(=O)N2CCOCC2)s1 23541883 BXNBHHKLWIRUBG-LLVKDONJSA-N 280.393 1.987 0 50 CDAA COc1cc(NC[C@@H]2Cc3ccccc3CN2C)ncn1 65526353 ZIPRVKPZUFYMES-AWEZNQCLSA-N 284.363 1.954 0 50 CDAA CN(C[C@@H]1CCOC1)S(=O)(=O)CC1CCCC1 177749609 JOTSSNKEIRWMSG-LBPRGKRZSA-N 261.387 1.475 0 50 CDAA Cn1[nH]c([C@@H]2CCCN2C(=O)OC(C)(C)C)nc1=N 1536219871 WSBNRKHMRURKBR-QMMMGPOBSA-N 267.333 1.300 0 50 CDAA CC1(NC(=O)CN2CCCCC2=O)Cc2ccccc2C1 120768165 UFLCHHZDYZAOKP-UHFFFAOYSA-N 286.375 1.673 0 50 CDAA CCOc1ccccc1N1CCN(CC(=O)OC)CC1 35800856 BGFMHKUSTMMIDM-UHFFFAOYSA-N 278.352 1.380 0 50 CDAA Cc1ncccc1CN[C@@H]1CCCN(c2nccnc2O)C1 328628007 GTNWVMDACKHIQP-CQSZACIVSA-N 299.378 1.644 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)C(=O)C(C)(C)C 218831451 HBGJCAJPMLJAIU-VIFPVBQESA-N 266.345 1.651 0 50 CDAA CC(C)c1nnc([C@@H](C)NC(=O)c2cnco2)o1 219784710 RJLRMCQIKKKYBJ-SSDOTTSWSA-N 250.258 1.672 0 50 CDAA O=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1ccco1 32607235 TZFLMOWPHSJQAF-UHFFFAOYSA-N 283.291 1.319 0 50 CDAA 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O=C(O)c1cnc(NCc2ccc3nsnc3c2)cn1 1506405153 IRONIMZZPJVITK-UHFFFAOYSA-N 287.304 1.792 0 50 CDAA COC(=O)[C@H]1CC[C@H](S(=O)(=O)N2CCC=C(F)C2)C1 1616001713 BQANVDCWOAVMRD-ONGXEEELSA-N 291.344 1.217 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1ccc2nccnc2c1 1616093791 QKKWMBPBZSOGSK-RYUDHWBXSA-N 296.330 1.180 0 50 CDAA CN(C)C(=O)c1cccc(NCCC2(O)CCCC2)n1 1506400215 BQYHUVAUPWOFFK-UHFFFAOYSA-N 277.368 1.891 0 50 CDAA O=C(C[C@@H]1CCCOC1)Nc1cnn2c1NCCC2 1506421552 JHVQDXXBWDNEMA-JTQLQIEISA-N 264.329 1.454 0 50 CDAA O=C1C[C@H](C(=O)Nc2cccc(-c3cnco3)c2)CN1 110355402 NHXDMXIOMOFPHB-JTQLQIEISA-N 271.276 1.416 0 50 CDAA CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)O)C1 236789310 WMCGKIYWUQTHTJ-MNOVXSKESA-N 256.346 1.088 0 50 CDAA N=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCC1(O)CCC1 334058486 XGPCKTLDWFDUEV-UTUOFQBUSA-N 252.358 1.927 0 50 CDAA CC(C)CC(=O)[C@@H]1CCCN(CCS(C)(=O)=O)C1 1704308350 IMSLOCBHAZNDGS-GFCCVEGCSA-N 275.414 1.358 0 50 CDAA CC(=O)NCC1CCN(c2ncc(C(C)=O)c(C)n2)CC1 1704307208 VTEFXQRXFOUZQR-UHFFFAOYSA-N 290.367 1.340 0 50 CDAA COC1CC(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1615554384 KUUYAVAQJCJNCJ-ALWXLRNYSA-N 292.301 1.070 0 50 CDAA COC(=O)c1cn2c(Br)cccc2n1 30677983 CKKPLEFSWHGVNO-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro C[C@H]1CN(C)CCN1C[C@@H](O)c1cccc(F)c1 229609239 LBKFPEFWVKURFF-SMDDNHRTSA-N 252.333 1.495 0 50 CDAA Cc1noc(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)n1 1775981011 FZWFYUXRRRJQLH-GFCCVEGCSA-N 280.372 1.457 0 50 CDAA CN(C)Cc1nnc(NCc2cc(C(C)(C)C)n[nH]2)o1 1772710422 VFPLLXZZPDKZEO-UHFFFAOYSA-N 278.360 1.764 0 50 CDAA O=C(c1onc2ncccc12)N1CCC(C2(O)CC2)CC1 1772803994 BZPZMUGWVJOWRI-UHFFFAOYSA-N 287.319 1.600 0 50 CDAA O=C(c1ccncc1)N1CCN(c2ccccn2)CC1 18136834 MOSNZMYNRJILMB-UHFFFAOYSA-N 268.320 1.439 0 50 CDAA Cc1scnc1C(=O)N(CCO)Cc1cccnc1 1857529171 WTEKSYNEJMOJNA-UHFFFAOYSA-N 277.349 1.481 0 50 CDAA S=c1n(CN2CCOCC2)nnn1C1CCCCC1 12343528 MUXMGIPEYUXJHP-UHFFFAOYSA-N 283.401 1.604 0 50 CDAA CC[C@@]1(CCC(=O)N(C)C[C@@H]2CCCCO2)CCC(=O)N1 14882619 WVADRYXZCIQEFS-BBRMVZONSA-N 296.411 1.853 0 50 CDAA O=c1[nH]cnc2c1cnn2Cc1ccc(Cl)cc1 17823735 JOZFGNICYPCSTR-UHFFFAOYSA-N 260.684 1.821 0 50 CDAA Cc1cnc(C(=O)NCCc2nc3ccccc3[nH]2)cn1 19112142 YUNZGRATYMMSTR-UHFFFAOYSA-N 281.319 1.634 0 50 CDAA COc1ccc(NC(=O)[C@@H]2CCCCN2N)cc1OC 19169013 VCCLMWQUDILKTA-NSHDSACASA-N 279.340 1.371 0 50 CDAA CCN1CCN(C[C@H](O)COc2ccc(C)cc2C)CC1 19363154 ZMXRQPYWTHNBTE-INIZCTEOSA-N 292.423 1.681 0 50 CDAA COc1ccc(CNS(=O)(=O)c2cccc(O)c2)cc1 19733627 PXOVNDGNGFVXFC-UHFFFAOYSA-N 293.344 1.879 0 50 CDAA CCCN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 19789558 BHUONWUMGUNRAG-OAHLLOKOSA-N 290.363 1.381 0 50 CDAA CCC[C@@]1(CO)CN(C(=O)c2cccc(C)n2)CC[C@H]1O 1857720717 GSIKGGVUPJOSEP-ZBFHGGJFSA-N 292.379 1.376 0 50 CDAA Cc1cccn2ncc(-c3nccn3Cc3nc(O)n[nH]3)c12 1857729818 UAGHFWLTTMTWNH-UHFFFAOYSA-N 295.306 1.378 0 50 CDAA C[C@@H]1C[C@H](C(=O)N(C)Cc2nc(=O)o[nH]2)CC(C)(C)C1 630030652 JYLKGKXZGWVSPR-ZJUUUORDSA-N 281.356 1.784 0 50 CDAA CC(C)CO[C@H](C)C(=O)Nc1nncn1-c1cccnc1 522027295 SHGHASYQWGIOST-LLVKDONJSA-N 289.339 1.662 0 50 CDAA COc1cc(CNC(=O)C2(C(=O)O)CC2)ccc1C 118942973 OIWBYQOOGGDTQR-UHFFFAOYSA-N 263.293 1.485 0 50 CDAA COCC(=O)N(C)C[C@H]1CCCc2sc(C)nc21 328641489 XYWPYNUYGLBIKH-SNVBAGLBSA-N 268.382 1.976 0 50 CDAA CNC[C@H](C)C(=O)N1CCO[C@@H](c2ccccc2F)C1 237303066 KXDNLNUNUSYSKQ-SMDDNHRTSA-N 280.343 1.581 0 50 CDAA O=C(O)CCNC(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 238176012 MSMQGSZFMCTUTD-NSHDSACASA-N 296.367 1.149 0 50 CDAA O=C(N[C@@]1(C(=O)O)CCc2ccccc21)[C@H]1CCCCO1 677849654 JXUNPSWMUCIURQ-CJNGLKHVSA-N 289.331 1.598 0 50 CDAA C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H](C)N1 153524132 CHYKCKHUINVEDF-RYUDHWBXSA-N 285.351 1.090 0 50 CDAA COc1cccc([C@@H](C)C(=O)N2CCC[C@H](N)C2)c1 157855732 OPYIJWUQUAEWCE-YPMHNXCESA-N 262.353 1.748 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccc(Cl)s1)C2 1704325989 QPIKTYGQCISALM-BDAKNGLRSA-N 286.784 1.348 0 50 CDAA CC(=O)c1ccccc1C(=O)N1CCc2ncncc2C1 923033454 VFXIONOMBWUCLA-UHFFFAOYSA-N 281.315 1.878 0 50 CDAA C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1cnnn1C 926482658 BBWPBBWKUMYWJD-ZETCQYMHSA-N 278.291 1.618 0 50 CDAA C[C@]1(C(=O)NC[C@H]2CCCN2)CC(c2ccccc2)=NO1 928995545 AELPUGHVINIRNW-CZUORRHYSA-N 287.363 1.438 0 50 CDAA COc1ccc2ccccc2c1CCNC(=O)[C@H]1CC(=O)N1 830542910 HRKIYGMSBOILKH-CQSZACIVSA-N 298.342 1.396 0 50 CDAA O=C(N[C@H](CO)C(F)(F)F)c1cc2cccnc2[nH]1 1151552783 UZGXFUHSEOAUTR-MRVPVSSYSA-N 273.214 1.216 0 50 CDAA C[C@@H](O)c1ncc(CN2CCCc3n[nH]cc3C2)s1 952893153 SIDJGCTUAGWQCW-SECBINFHSA-N 278.381 1.868 0 50 CDAA Cc1nnc(N[C@H]2CCc3ncsc3C2)nc1C 1875286751 DLCGCVVOAGIHKW-VIFPVBQESA-N 261.354 1.914 0 50 CDAA C=CC(=O)NC[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1875369957 SOIXFCVHYJOPST-SRVKXCTJSA-N 296.367 1.313 0 50 CDAA Cc1noc(COC2CN([C@H]3CCOC4(CCC4)C3)C2)n1 886097286 PPOQCSYJSPAQMO-LBPRGKRZSA-N 293.367 1.681 0 50 CDAA CCn1nccc1[C@H]1OCC[C@@H]1NC(=O)Cc1ccon1 886034939 ICRXNIKAUWDKJQ-FZMZJTMJSA-N 290.323 1.080 0 50 CDAA CN(C)CCNc1ccc(S(=O)(=O)N2CCCC2)cc1 891416813 OUQIWQWFQJOEMG-UHFFFAOYSA-N 297.424 1.445 0 50 CDAA CCc1nc(Cn2cc(CNC(=O)N(C)C)nn2)cs1 899705119 AMJBNOVWYSOWMW-UHFFFAOYSA-N 294.384 1.117 0 50 CDAA C[C@@H](CC(=O)N1C[C@@H](C)OC[C@@H]1C)[C@H]1CCCNC1 251704643 OJDVBUFDOCBURR-FQUUOJAGSA-N 268.401 1.648 0 50 CDAA NC[C@H]1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 269171702 VHGFLNGIVDEPJT-RNCFNFMXSA-N 280.755 1.451 0 50 CDAA CS(=O)(=O)c1ccc(-c2ccc(CC(=O)O)cn2)cc1 534634836 FMFVGBKZPUELEO-UHFFFAOYSA-N 291.328 1.779 0 50 CDAA CCc1csc(CNC(=O)c2cc(O)ccc2N)n1 823543278 XKRLGSSXCCBRPD-UHFFFAOYSA-N 277.349 1.923 0 50 CDAA CCn1cc(S(=O)(=O)Nc2ccc(F)cc2F)cn1 1430385 NKVQDAFRQVWEON-UHFFFAOYSA-N 287.291 1.982 0 50 CDAA CN1Cc2cc(-c3nc(C4CC4)n(C)n3)ccc2C1=O 2100548150 WDMNLVKMULTEAA-UHFFFAOYSA-N 268.320 1.945 0 50 CDAA COC(=O)c1cc2c(=O)n(-c3ccccn3)ccc2nc1C 19821644 MHOMJOJQEBIRNE-UHFFFAOYSA-N 295.298 1.876 0 50 CDAA COc1cc(-c2noc(C[C@@H]3CNCCO3)n2)ccc1C 843177604 ASIFEUYTDQJNBK-GFCCVEGCSA-N 289.335 1.585 0 50 CDAA CN(C[C@H]1CCOC1)C1=NC[C@@H](c2ccccc2)N1 2325771450 XCSNIAAFKMRENE-OCCSQVGLSA-N 259.353 1.655 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N[C@@H](CCCN)c2ccccc2)CN1 2325778880 UIWQMTCXYZCNIS-YUELXQCFSA-N 275.396 1.581 0 50 CDAA CN(C)[C@H](CNc1nc(Cl)[nH]c2ncnc1-2)C1CC1 892346478 ZTQDAJGKOAPXHE-MRVPVSSYSA-N 280.763 1.710 0 50 CDAA C[C@@H]1CCN(c2cc(C(=O)Nc3cnn[nH]3)ccn2)C1 1447925418 KHSBYODXGUEGSL-SECBINFHSA-N 272.312 1.298 0 50 CDAA O=C(c1cccc(F)c1O)N1C[C@H](O)CC(F)(F)C1 935585451 JPUMFVJYGUMSJE-SSDOTTSWSA-N 275.226 1.373 0 50 CDAA O=C1C[C@H](N2CCSCC2)C(=O)N1c1ccccc1 102096 GNTZZDMWRTYPMF-LBPRGKRZSA-N 276.361 1.367 0 50 CDAA COc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 116181 BRZOQMBOSAFDJS-UHFFFAOYSA-N 293.348 1.903 0 50 CDAA CC(=O)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 302380 QFJIQRJGSMLNDF-CBAPKCEASA-N 250.220 1.646 0 50 CDAA C[C@@H](Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 355377 QJSPWPGMDGFRSI-LLVKDONJSA-N 276.336 1.178 0 50 CDAA COC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 470014 KDLQZTNQSUTLOO-UHFFFAOYSA-N 299.348 1.023 0 50 CDAA CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 617499 RZHWDFFSPNNKOY-CYBMUJFWSA-N 296.392 1.284 0 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XXOQDWLQYNASJG-QMMMGPOBSA-N 295.339 1.588 0 50 CDAA CN(C)CCN(C)Cc1coc2ccccc2c1=O 22455085 JCIVBWGSRQCLKR-UHFFFAOYSA-N 260.337 1.786 0 50 CDAA COc1cc(N)c(CCN2CCCC2=O)cc1OC 23128317 NIGKGVJLTWMZEA-UHFFFAOYSA-N 264.325 1.451 0 50 CDAA COCC1(NC(=O)Nc2nc(C)ns2)CCCC1 55341936 YBCOVQGOLPUAIM-UHFFFAOYSA-N 270.358 1.927 0 50 CDAA CN(C[C@H]1CCCN1C)c1ncccc1S(C)(=O)=O 420629689 CWBFYLXFCCTMKF-LLVKDONJSA-N 283.397 1.016 0 50 CDAA CS(=O)(=O)NCCCSCc1ccccc1 67651778 ZEHCUFRBGGALHL-UHFFFAOYSA-N 259.396 1.859 0 50 CDAA CCOC(=O)CCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 134884207 ADKWJLPWNCWVKV-HIFRSBDPSA-N 280.412 1.888 0 50 CDAA CCN(CC)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cn1 65453687 CQPCHLKQJANPGR-JTQLQIEISA-N 277.324 1.365 0 50 CDAA CC(C)N1CCN(Cc2ccncc2)C[C@@H]1CCO 20910768 FJJIPBRCIWZZCZ-HNNXBMFYSA-N 263.385 1.359 0 50 CDAA Cc1cccc(N2CCN(Cc3nncn3C)CC2)c1C 67561508 VBRQKMYTYIRVOA-UHFFFAOYSA-N 285.395 1.754 0 50 CDAA O=C(O)CN(Cc1ccccc1)C(=O)[C@@H]1CCOC1 238146660 XBUOUVQFHIYHKF-GFCCVEGCSA-N 263.293 1.136 0 50 CDAA Cc1ccc(C2(O)CCN(C(=O)c3ncc[nH]3)CC2)nc1 67818139 MOKRBWFNRNRGTO-UHFFFAOYSA-N 286.335 1.237 0 50 CDAA Cc1cc(CN(C)C(=O)N[C@@H]2CCN3CCCC[C@@H]23)no1 229193228 AXEYJCJCTGXKNI-KGLIPLIRSA-N 292.383 1.751 0 50 CDAA O=S1(=O)N=C(NC2CCCC2)c2ccccc21 114581 MMPUSYMFMJEXKH-UHFFFAOYSA-N 250.323 1.668 0 50 CDAA NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 33359634 AFSPHUHRPFWNBM-UHFFFAOYSA-N 276.317 1.586 0 50 CDAA CC(=O)c1cn(CC(=O)NCCC(=O)O)c2ccccc12 36370000 XTHOPERGAMKFKE-UHFFFAOYSA-N 288.303 1.435 0 50 CDAA biogenic CCCc1cc(N2CCCN(C)CC2)n2nccc2n1 72407762 NWHGVRRHRFIDDD-UHFFFAOYSA-N 273.384 1.824 0 50 CDAA Cc1cc(N2CC[C@H](N(C)Cc3ncccn3)C2)ncn1 328628072 GXRZNDUGALAYLI-ZDUSSCGKSA-N 284.367 1.286 0 50 CDAA CC[C@H](C)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 253415658 WRUQIZGODQCBFJ-OIFOAWPUSA-N 251.370 1.093 0 50 CDAA C[C@H]1CC[C@@H](CCC(=O)Nc2ccn(CC(=O)O)n2)O1 122922191 KPWODZDNJONPAO-UWVGGRQHSA-N 281.312 1.254 0 50 CDAA CCOCCC(=O)N1CCCN(Cc2cccnc2)CC1 77341769 PYTUCTBIYCMLIF-UHFFFAOYSA-N 291.395 1.543 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 282692385 XJAUVKYITZFWGR-OLZOCXBDSA-N 275.283 1.497 0 50 CDAA Cc1cc(S(=O)(=O)NC[C@H]2CCCNC2)ccc1F 237789579 SMFGUOFCVZYHNG-NSHDSACASA-N 286.372 1.412 0 50 CDAA O=C(NOCc1cccnc1)[C@H]1CCCc2c[nH]nc21 367036622 HTUJRNKYZSEPJA-LBPRGKRZSA-N 272.308 1.473 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC(OC2CCCC2)CC1 262586645 GTFFXZIWHYKPDB-CHWSQXEVSA-N 281.352 1.657 0 50 CDAA O=S(=O)(Cc1c(Cl)cccc1Cl)NC1CNC1 237845186 LXDKJZZWFOEAIO-UHFFFAOYSA-N 295.191 1.385 0 50 CDAA CCc1nn(C)c(Cl)c1CN1CCOC[C@H](CO)C1 77341115 HRYRHTYIZBIABJ-JTQLQIEISA-N 287.791 1.077 0 50 CDAA CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)C1 330749192 HGRWJYOFQZMJSA-YZRASEIHSA-N 297.424 1.538 0 50 CDAA CN(Cc1cn2c(n1)CCCC2)C[C@@H]1CCCNC1 261966942 PZBQJXUIEWJRLH-CYBMUJFWSA-N 262.401 1.651 0 50 CDAA CCO[C@H](C)c1ncc(C(=O)N2CC(O)C2)s1 331505716 KKDMMKIYXXKBAI-SSDOTTSWSA-N 256.327 1.057 0 50 CDAA CC1=NO[C@](C)(C(=O)N2CCCn3cncc3C2)C1 72153594 KUPDRDPGIQVTEJ-ZDUSSCGKSA-N 262.313 1.170 0 50 CDAA CCOCCC1(C(=O)N2CCC[C@@](O)(C(=N)O)C2)CCC1 331997198 QGHHRQHUKFVUHK-HNNXBMFYSA-N 298.383 1.472 0 50 CDAA COc1cccc(CN2CC[C@@H](c3nc(C)no3)C2)n1 332087622 SNMMFBIXEZDNQA-LLVKDONJSA-N 274.324 1.771 0 50 CDAA Cc1ccnc2ccc(C(=O)N3CC[C@H](CC(N)=O)C3)cc12 377200328 XTJOEPUMMRTSDG-GFCCVEGCSA-N 297.358 1.881 0 50 CDAA CC[C@H](C(=O)NCc1cnn2ccccc12)n1cccn1 72167309 CQZDGNKOVXATEF-CYBMUJFWSA-N 283.335 1.798 0 50 CDAA CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 378025036 KIEDIWYJLYMMSC-ZWKOPEQDSA-N 291.351 1.161 0 50 CDAA O=C(Nc1nc[nH]n1)c1cnc2ccc(Cl)cc2c1O 218283299 ZLXBOMBEZHCZQH-UHFFFAOYSA-N 289.682 1.964 0 50 CDAA CN1CC[C@@H]2CN(c3nnc(-c4ccon4)s3)C[C@@H]21 333660071 GRUULBBFERYQDB-SCZZXKLOSA-N 277.353 1.333 0 50 CDAA C[C@@H]1C(=O)CC[C@H]1CC(=O)NC[C@@H]1CCC[C@H]1O 333630394 BFLPKNZQZPPBMU-MRBYEJRBSA-N 253.342 1.269 0 50 CDAA O=C(c1cnc[nH]1)N1CCCO[C@H](CN2CCCCC2)C1 221411881 XUEOLPJHGAMOLS-CYBMUJFWSA-N 292.383 1.127 0 50 CDAA O=C(NCc1noc(C2CCC2)n1)[C@H]1CCC[C@H](O)C1 220317848 QUEYYMJBISPEEO-QWRGUYRKSA-N 279.340 1.504 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2CCCO[C@H]2C)n(C)n1 284124903 OXSQDWSRTXCMHB-CMPLNLGQSA-N 251.330 1.160 0 50 CDAA Cc1noc(NC(=O)c2cnc(OCC3CC3)cn2)n1 284965723 DOAUMLMAQOIPLG-UHFFFAOYSA-N 275.268 1.209 0 50 CDAA COCCN(C)C(=O)NCc1nc2ccccc2o1 426504091 URTZNEAQOFQHLC-UHFFFAOYSA-N 263.297 1.616 0 50 CDAA CCc1nnc(CN(C)C(=O)c2ncccc2O)o1 223148918 GTECYESQKIBFIX-UHFFFAOYSA-N 262.269 1.005 0 50 CDAA C[C@]1(O)CCCN(C(=O)CCCn2ccnc2)CC1 221398752 KPFQMEFPWYIRIG-AWEZNQCLSA-N 265.357 1.427 0 50 CDAA Cc1nnsc1CNC(=O)c1scc2c1OCCO2 220216885 ARJULGXMOIZZPB-UHFFFAOYSA-N 297.361 1.609 0 50 CDAA C[C@@H](Cn1cccn1)n1cnc2cccc(F)c2c1=O 43119836 BIZPODKYIXENDL-JTQLQIEISA-N 272.283 1.993 0 50 CDAA COCCn1cnnc1[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 426593535 BUOCCAPEWDWMID-MRVPVSSYSA-N 297.746 1.397 0 50 CDAA COc1cccc(Cl)c1C(=O)N(C)[C@@H]1CCNC1 179116565 UGDWSLONUKGEJH-SECBINFHSA-N 268.744 1.783 0 50 CDAA CCc1nnc(N[C@H]2CCCN(c3ncccn3)C2)o1 95367795 CUIMQPFTQNHSLY-JTQLQIEISA-N 274.328 1.503 0 50 CDAA Cc1nc(C)c(C)c(N[C@@H](C(=O)N(C)C)C(C)C)n1 91644289 VJJODOUZQWDIOA-GFCCVEGCSA-N 264.373 1.927 0 50 CDAA Cn1c(SCCCCCCO)nnc1[C@@H]1CCCNC1 426535912 QJBXIFJMVXBKOJ-GFCCVEGCSA-N 298.456 1.927 0 50 CDAA CN(C)c1nc(N(C)CCn2cccn2)ncc1F 95381986 XTABGVXUNFDHJM-UHFFFAOYSA-N 264.308 1.015 0 50 CDAA CCc1c(C)nn(Cc2nc([C@@H]3CCOC3)no2)c1C 96162543 WQKGKOUZVLKUPU-LLVKDONJSA-N 276.340 1.998 0 50 CDAA CC(C)C[C@H](O)c1nc(C(C)(C)C)nn1CCO 96161562 LAAVQMLEPCDLNZ-JTQLQIEISA-N 255.362 1.647 0 50 CDAA Cc1ncncc1C(=O)N1CCN[C@@H](c2ccccc2)C1 97529032 RMOSKWQURODVNW-OAHLLOKOSA-N 282.347 1.572 0 50 CDAA Cc1ccccc1[C@@H](C(=O)NCC(=O)NC(C)C)N(C)C 95517581 XIOKABVQMFILIR-HNNXBMFYSA-N 291.395 1.239 0 50 CDAA COCCOc1cccc(C(=O)NC(C)(C)CCO)c1 179418357 PXUGTWXQSRTLDX-UHFFFAOYSA-N 281.352 1.603 0 50 CDAA CC(C)OC(=O)[C@H]1C(=O)N[C@@]2(C)C[C@H]1c1ccccc1O2 239358390 NEGZZQMCPMSSSJ-NORZTCDRSA-N 289.331 1.967 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2)C1 178965352 MTMZERCHVKLJLK-LLVKDONJSA-N 264.373 1.320 0 50 CDAA Cc1cc(C(=O)NC2CCN(Cc3ccco3)CC2)on1 97522621 DHYYBUCJRMOMSD-UHFFFAOYSA-N 289.335 1.970 0 50 CDAA O=C(NCCN1CCCC1)c1ccccc1-c1ncc[nH]1 97600927 PXHYEJJDQHCKBC-UHFFFAOYSA-N 284.363 1.902 0 50 CDAA CCCC(=O)N1CCC(N[C@@H](CC)[C@H]2C[C@H](O)C2)CC1 244873444 WQNSZHXBHQPTLZ-QEJZJMRPSA-N 282.428 1.917 0 50 CDAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC(c2nnc[nH]2)CC1 244690973 JAHLRGAPAIGICP-TXEJJXNPSA-N 278.356 1.062 0 50 CDAA NC(=O)C1(NCc2ccc(OC[C@H]3CCCO3)cc2)CC1 183820430 FKRQACTYHOBEQE-CQSZACIVSA-N 290.363 1.352 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)S1 608153006 LLQUCQNOTREZCL-PZWNZHSQSA-N 255.383 1.906 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN(C)S(C)(=O)=O 252201361 WIXSMZAKZCCMIL-GRYCIOLGSA-N 288.413 1.057 0 50 CDAA CCn1ccnc1CNC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C 295701999 JAFFAUDGNNJHMH-FRRDWIJNSA-N 278.400 1.781 0 50 CDAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nn(C)c2ccccc12 252484397 FVHMTRWVZNKBGY-OLZOCXBDSA-N 298.390 1.882 0 50 CDAA Cc1ccc(C(=O)N2CCc3n[nH]c(=O)cc3C2)s1 263615769 FEECDSSCRONMTC-UHFFFAOYSA-N 275.333 1.338 0 50 CDAA Cc1ncc(C(C)C)c(NC[C@@]2(O)CCCNC2)n1 534586724 AUTVZOVSQBPRRF-CQSZACIVSA-N 264.373 1.435 0 50 CDAA CCOC(=O)N1CCC(N[C@@H](C)c2ncc(C)[nH]2)CC1 534660554 NANFFKKUINTOLG-NSHDSACASA-N 280.372 1.990 0 50 CDAA C[C@H](O)[C@@H]1CCN([C@H]2CCN(c3ccccc3)C2=O)C1 272578951 NYTFMPULJCINSJ-GUTXKFCHSA-N 274.364 1.495 0 50 CDAA C[C@@H](NC(=O)C1(C)COC1)c1ccc(S(C)(=O)=O)cc1 272762405 QIIWERCWSCCTAA-SNVBAGLBSA-N 297.376 1.304 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc(Cl)c(C)c1 290549722 WHAPWJWXAYKXOH-RYUDHWBXSA-N 269.728 1.792 0 50 CDAA O=C(CN1CCOC1=O)NC1(c2cc(F)cc(F)c2)CC1 299802490 XDZHBUFFPYMCQN-UHFFFAOYSA-N 296.273 1.522 0 50 CDAA CCCc1ncncc1-c1ncnn1CC(C)(C)O 823018948 WJWIVGJPRITFDU-UHFFFAOYSA-N 261.329 1.459 0 50 CDAA O=C1C[C@H](CNc2ncccc2-c2ncon2)CN1C1CC1 828248328 YYJHAQKQBGUCDK-SNVBAGLBSA-N 299.334 1.554 0 50 CDAA Cn1cccc1CCC(=O)NCCc1nccs1 584902405 HETFXKMYIJTBIH-UHFFFAOYSA-N 263.366 1.773 0 50 CDAA Cc1ncn(CCn2cnc3ncccc3c2=O)c1C 584887383 BHAXZEIOSYCXGM-UHFFFAOYSA-N 269.308 1.305 0 50 CDAA C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239030645 CDRATGVLFXMROI-QRNINRFLSA-N 281.352 1.654 0 50 CDAA Cc1n[nH]cc1CN(C)Cc1cccc2nonc12 952989055 SAZNMCUPPKXBDO-UHFFFAOYSA-N 257.297 1.886 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N(C)c1ccn(C)n1 408474882 WSYJUULYWPMKPC-YPMHNXCESA-N 265.357 1.834 0 50 CDAA CN1CC[C@H](N(C)C(=O)c2cccc(C(=O)O)c2)C1 97528903 LKTKEMVSEBNLAZ-LBPRGKRZSA-N 262.309 1.161 0 50 CDAA CS[C@H](C)CNC(=O)NC[C@H]1CCc2nccn2C1 275541678 GVGCTPKDDHXJIS-GHMZBOCLSA-N 282.413 1.496 0 50 CDAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)C1=COCCC1 275510159 WUQPGQWVGIPAFR-UONOGXRCSA-N 274.320 1.722 0 50 CDAA O=C(O)CCNC(=O)c1ncccc1OCC(F)(F)F 170047805 XRQDADUSMBHTKH-UHFFFAOYSA-N 292.213 1.227 0 50 CDAA CC(=O)NCC(=O)Nc1cccc(-n2ccnc2S)c1 170594000 JPDASAIMNKNKGA-UHFFFAOYSA-N 290.348 1.236 0 50 CDAA c1ccc(N(CCN2CCOCC2)Cc2cncnc2)cc1 170608781 GNRDZLJYJHVCHK-UHFFFAOYSA-N 298.390 1.815 0 50 CDAA COc1ncc(Cl)c(N2CCn3cnnc3[C@@H]2C)n1 170611250 VXFVOZMSTFONBY-ZETCQYMHSA-N 280.719 1.311 0 50 CDAA CC1(C)COCCN1CCS(=O)(=O)Cc1ccccc1 279365285 KXGNOACULCXMDK-UHFFFAOYSA-N 297.420 1.712 0 50 CDAA CCc1nc(=N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)s[nH]1 585092124 GERYWFAAVQJPKK-WDEREUQCSA-N 296.440 1.434 0 50 CDAA CC[C@@H]1CN(C)CCN1C(=O)Cc1cc(F)ccc1OC 585086011 ZIUVXIVFZFKYBQ-CQSZACIVSA-N 294.370 1.929 0 50 CDAA COc1ncncc1CN[C@@H]1CCCC12CCOCC2 647208789 DRDDMSHDFLGAQS-CYBMUJFWSA-N 277.368 1.924 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)NOc1ccc(F)cc1 585126842 JSXNJRMQQISSGQ-GXFFZTMASA-N 283.299 1.820 0 50 CDAA CCN(C(=O)N1CCC[C@H](CN2CC[C@H](O)C2)C1)C(C)C 585139410 WMPGBSNRVZNQOT-CABCVRRESA-N 297.443 1.615 0 50 CDAA CC[C@@H](NCc1nc(N(C)C)no1)c1c(C)noc1C 193007253 OWNADPJFARLKBH-SNVBAGLBSA-N 279.344 1.981 0 50 CDAA CC(C)OC[C@H](O)CN1C(=O)N[C@@](C)(C(C)(C)C)C1=O 193848853 KAULIVBBXVLQOT-QMTHXVAHSA-N 286.372 1.129 0 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CN(C)c1nc(NCCc2ncc[nH]2)ncc1F 1772706777 UHSKTTTYMQGKPX-UHFFFAOYSA-N 250.281 1.059 0 50 CDAA O=C(c1cccc(-c2ncc[nH]2)c1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775980034 RJVRVNZRHLNHHN-FICVDOATSA-N 297.358 1.920 0 50 CDAA O=c1[nH]c2ccccc2c(=O)n1CCN1CCCCC1 5117504 VOGKOHCHPHYURZ-UHFFFAOYSA-N 273.336 1.176 0 50 CDAA CC(C)C(=O)N[C@H]1CCCN(C2CCN(C)CC2)C1 11704925 JHCDNRYHGMNMLE-ZDUSSCGKSA-N 267.417 1.317 0 50 CDAA CCOC(=O)N1CCN(C(=S)NC2CCCC2)CC1 13497429 GJCOHMROXFFGMN-UHFFFAOYSA-N 285.413 1.578 0 50 CDAA Cc1cc(CN(C)C(=O)CCN2CCCCCC2=O)on1 19743827 RJZCZDFDPISTFN-UHFFFAOYSA-N 293.367 1.734 0 50 CDAA COC(=O)C[C@@H]1Cn2c(nc3ccccc32)N=C1O 19957408 IWHJZOVMMRMTHA-MRVPVSSYSA-N 259.265 1.817 0 50 CDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(C)cc1 19972769 MISZQNZAFAWTLC-UHFFFAOYSA-N 287.315 1.796 0 50 CDAA CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)CC(=O)O 1597647 YRDJGRFNTNGPLT-BJMVGYQFSA-N 278.260 1.837 0 50 CDAA CC(C)(C)n1ncnc1CN1CCCC[C@]1(C)C(N)=O 225772273 GCRYJLQPDMUNMR-CQSZACIVSA-N 279.388 1.263 0 50 CDAA CC(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(=O)O 4763513 GTCLKZDZUKYDDV-CYBMUJFWSA-N 260.293 1.608 0 50 CDAA in-vitro Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(=O)N(C)C1CC1 329058917 UFWNZEMVTNQLSL-ZDUSSCGKSA-N 292.383 1.021 0 50 CDAA Cc1nn(C)c(C)c1NC(=O)N1CCCO[C@@H](C)C1 331449534 LOKSRTYTEQKFNK-VIFPVBQESA-N 266.345 1.680 0 50 CDAA CCc1ccc(N2CCN([C@H](C)C(=O)O)CC2)cc1 236928555 KLSKKHMDBMAUTG-GFCCVEGCSA-N 262.353 1.844 0 50 CDAA COC[C@@H](OC)c1noc(-c2cccc(F)c2O)n1 904095627 GQLVMHWQPQPCQN-SECBINFHSA-N 268.244 1.915 0 50 CDAA CCOCCN1CCC2(CC1)C[C@](C)(O)CCO2 1704333400 ZOYFJOJXZNEOMV-CYBMUJFWSA-N 257.374 1.419 0 50 CDAA O=C(Nc1nnnn1C1CC1)[C@@H]1C[C@H]1C1CCOCC1 905844569 HKNGQIHZMJUSOA-WDEREUQCSA-N 277.328 1.009 0 50 CDAA Cc1nc(C)n([C@H]2CCCN(c3ccnc(CO)c3)C2)n1 858399089 SJFPJKFIBDSWES-HNNXBMFYSA-N 287.367 1.624 0 50 CDAA Cc1cc(NC[C@@H]2CC(C(F)(F)F)=NO2)ncn1 952965141 ZHIOFNNHDFKSJN-ZETCQYMHSA-N 260.219 1.904 0 50 CDAA C[C@@H]1C[C@H]1S(=O)(=O)NC(=O)c1coc(C2CCC2)n1 1875285757 YJKBYBWUNNNWSL-GMSGAONNSA-N 284.337 1.410 0 50 CDAA C[C@@H](CC1CC1)C(=O)N[C@H](CO)CCc1ccncc1 1875295580 KDURWVWCVNJLTQ-WFASDCNBSA-N 276.380 1.928 0 50 CDAA Cc1cccc(CONC(=O)[C@@H]2C[C@@H]3C[C@H]3CO2)n1 1875310928 HDGLASCDENECEE-GVXVVHGQSA-N 262.309 1.363 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@H](C)CCC)CC1 1875369389 LGDSPZKUCWIBDL-LLVKDONJSA-N 252.358 1.716 0 50 CDAA O=C(N=c1[nH]nc(C2CC2)s1)N[C@H]1C[C@H]2C[C@@H](O)[C@@H]1C2 1875304120 AOAWCCMDPRAVQO-QRYDPKPESA-N 294.380 1.118 0 50 CDAA COc1ccc2cccc(CC(=O)NS(C)(=O)=O)c2c1 1875390857 VLQLRMNDYLBSPS-UHFFFAOYSA-N 293.344 1.467 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1cnn(C2CCCCC2)c1 1875370061 AGMLMGXIVBZMHH-UHFFFAOYSA-N 290.367 1.971 0 50 CDAA CC(=O)Nc1ncccc1NC(=O)C[C@H]1CC2(CC2)CO1 1875318362 HJQQJDUUIWKFOD-NSHDSACASA-N 289.335 1.938 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)[C@@H]1COc2ccccc21 887528469 QAGYKXINCDUICW-CYBMUJFWSA-N 287.359 1.974 0 50 CDAA CCc1c[nH]c2ncnc(NCc3nnc4n3CCOC4)c12 893461255 LYNAHHWQKMOURX-UHFFFAOYSA-N 299.338 1.254 0 50 CDAA CCc1nc(CNC(=O)N2CCOCC[C@@H]2C)co1 895219863 DTRAYDLHCDSCHK-JTQLQIEISA-N 267.329 1.557 0 50 CDAA C[C@@H](CC(=O)Nc1n[nH]c(CO)n1)c1ccc(F)cc1 1775986374 UBTVURYVPPEJBM-QMMMGPOBSA-N 278.287 1.568 0 50 CDAA CO[C@@H](C)C1=NN(c2ccc(S(C)(=O)=O)cc2)C(=O)C1 899346983 DKEYHYVJRNHLLP-VIFPVBQESA-N 296.348 1.218 0 50 CDAA O=C(NCC(F)(F)F)N1CC[C@@H]2OCCC[C@H]2C1 130340519 PBHZRLHYCULURW-IUCAKERBSA-N 266.263 1.759 0 50 CDAA Cc1noc(C)c1C(=O)N1C[C@H](C(=O)O)CC[C@@H]1C 263537202 ZYTMXMMOOSKZTM-OIBJUYFYSA-N 266.297 1.617 0 50 CDAA O=C(CCc1c[nH]c2ccccc12)N1C[C@@H](O)CO1 311345738 KAZCYATWVNVUDX-LLVKDONJSA-N 260.293 1.235 0 50 CDAA CO[C@H]1C[C@@H](CO)N(Cc2nc(C3CCCC3)no2)C1 331503601 DAHBWUPGHTUIED-RYUDHWBXSA-N 281.356 1.309 0 50 CDAA CN(Cc1cc[nH]n1)S(=O)(=O)c1cccs1 336038123 QKGJDVDXCALWMK-UHFFFAOYSA-N 257.340 1.292 0 50 CDAA C[C@H](NC(=O)c1c(F)cncc1F)C(=O)OC(C)(C)C 864234260 STYWZWVVOFJSTH-ZETCQYMHSA-N 286.278 1.820 0 50 CDAA O=C(Nc1ncc2c(n1)CCC2)[C@@H]1COc2ccccc2O1 2100482609 LRXZSYJUBDYYAM-AWEZNQCLSA-N 297.314 1.744 0 50 CDAA c1cc2c(N3CCC4(CC3)OC[C@H]3C[C@@H]34)ncnn2c1 2325789247 GVXIZLAYTOYTDI-NEPJUHHUSA-N 270.336 1.735 0 50 CDAA O=C(C[C@@H]1CCc2ccccc2N1)NC[C@H]1CNC(=O)O1 2325795465 HCFZZOULKUQRII-RYUDHWBXSA-N 289.335 1.028 0 50 CDAA c1cc([C@@H]2COCCN2Cc2cnc3sccn23)n[nH]1 2325811014 XJPIJNJJJWMCHK-LBPRGKRZSA-N 289.364 1.692 0 50 CDAA O=C(Nc1c[nH]nc1OCC(F)(F)F)C12CC1C2 2325897697 DZWJNZNNIGNCSI-UHFFFAOYSA-N 261.203 1.699 0 50 CDAA CN(C)[C@H]1C[C@@H](NC(=O)c2cccn3nccc23)C12CCC2 898822225 DAJOBWSOTKFNQS-CABCVRRESA-N 298.390 1.937 0 50 CDAA O=C(OCc1ccccc1)N1CCN(CCCO)CC1 135246387 JLZLAKGHHXMGJE-UHFFFAOYSA-N 278.352 1.323 0 50 CDAA CC(=O)Oc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 30104 BDJMJGKXSFGPPK-GHMZBOCLSA-N 277.320 1.861 0 50 CDAA CCn1nnc(NC(=O)c2cccc(C)c2OC)n1 557657 ZUNDYKSMPHJLRF-UHFFFAOYSA-N 261.285 1.262 0 50 CDAA CCOC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 1456556 USZWBQJWGAZCEK-ZDUSSCGKSA-N 291.347 1.867 0 50 CDAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1ccc2c(c1)CCO2 2356147980 AYUCRZMSSIMCLN-GSJFWJNXSA-N 289.331 1.995 0 50 CDAA CCOC(=O)c1ccc(NC(=O)C(=O)N2CCCC2)cc1 2918166 WHOJXJRHTSPYQN-UHFFFAOYSA-N 290.319 1.424 0 50 CDAA CN(C(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 4278674 HILYJTVCZGRTAK-NSHDSACASA-N 268.338 1.337 0 50 CDAA CCOc1cc(C(=O)NCCO)cc(OCC)c1OCC 4680834 JIBZSCZQQVBTDQ-UHFFFAOYSA-N 297.351 1.605 0 50 CDAA CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 4867823 CQZKZAGJNARVJN-UHFFFAOYSA-N 282.365 1.139 0 50 CDAA COc1ccccc1NC(=O)C1CCN(C(C)=O)CC1 6730523 AALSHYNUXVORJU-UHFFFAOYSA-N 276.336 1.892 0 50 CDAA COc1ccccc1CC(=O)N[C@H](C)[C@H]1CCCO1 6741859 FRRPZORTMLYJKU-DGCLKSJQSA-N 263.337 1.921 0 50 CDAA CCc1nnc(NC(=O)c2c(C)noc2C)s1 7347187 CZLGPKZDCYAGAR-UHFFFAOYSA-N 252.299 1.958 0 50 CDAA Cc1ncc(C(=O)N2CCC[C@H]([C@@H](C)N)C2)s1 226265806 BEBNTWUBIORUNI-SCZZXKLOSA-N 253.371 1.651 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCCCCC1 101391293 BCXDAYVGRBLLJD-RVMXOQNASA-N 263.337 1.912 0 50 CDAA Cc1ccoc1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 343621377 ZRJCJEANYJRSEP-LBPRGKRZSA-N 290.363 1.995 0 50 CDAA O=C1CC[C@H](C(=O)N2CCC[C@@H]3CCC[C@@H]32)CN1 227863249 RCBFWNFQBIZNQK-SRVKXCTJSA-N 250.342 1.304 0 50 CDAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)CCC(C)(C)C 227927702 PZDPVDRMBFTSBQ-WDEREUQCSA-N 262.419 1.564 0 50 CDAA CCCNC(=O)c1ccc(CN2CCOCC2)cc1 22515541 ZKRZOANNCIXYTF-UHFFFAOYSA-N 262.353 1.659 0 50 CDAA O=C1CCCN1CCc1noc([C@H]2C[C@@H]3C=C[C@H]2C3)n1 20920487 OPMAQUPTWUZEFM-WOPDTQHZSA-N 273.336 1.914 0 50 CDAA CC1(Cn2cnc3c(nnn3-c3ccccc3)c2=O)COC1 345450078 WQCPSSDDTLUEMG-UHFFFAOYSA-N 297.318 1.014 0 50 CDAA Cc1ccc(CC2(NC(=O)Cn3cncn3)CC2)cc1 67771788 JJGJREMIFAMDKO-UHFFFAOYSA-N 270.336 1.478 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)Cc1cc(C)no1 67955896 KGFIBFXAQZDOBS-LLVKDONJSA-N 262.313 1.317 0 50 CDAA CC(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 115646603 LNYDXPLULMCAKF-UHFFFAOYSA-N 256.346 1.770 0 50 CDAA NC[C@@H]1Cc2cc(-c3cnc(N)cn3)cc(F)c2O1 67642324 LIYKSTFSXXYGOZ-VIFPVBQESA-N 260.272 1.127 0 50 CDAA OCC(CO)N1CCC[C@@H](c2nc3ccccc3o2)C1 65431797 DLTMOTABDDSMPY-LLVKDONJSA-N 276.336 1.360 0 50 CDAA C[C@H]1CCCN(C(=O)CCNCC(C)(C)CO)C1 65374412 GMOFLJHUCCBHJG-LBPRGKRZSA-N 256.390 1.243 0 50 CDAA CCN(C)Cc1n[nH]c(=O)n1-c1cc(F)ccc1C 65432962 ZVZFVVVGMDVJOM-UHFFFAOYSA-N 264.304 1.460 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)C1(C(=O)O)CC1 119011357 OUTGCLYHKZNCOO-ZJUUUORDSA-N 269.341 1.561 0 50 CDAA CCOc1ccccc1-n1c(Cc2cccnc2)n[nH]c1=O 67820784 IZXZGNZHGAYXBJ-UHFFFAOYSA-N 296.330 1.945 0 50 CDAA Cc1ccc(OC[C@@H](O)CN2CCO[C@@H](C)C2)cc1 229275522 ANEZQWBWMGUWSQ-KBPBESRZSA-N 265.353 1.455 0 50 CDAA Cc1nc(CN(CCO)Cc2cccs2)c[nH]1 65403432 HXRQQNOHYQUIFO-UHFFFAOYSA-N 251.355 1.774 0 50 CDAA C[C@H](Cc1cccs1)NC(=O)CCS(C)(=O)=O 75574307 LOAPDFYSJRGGFR-SECBINFHSA-N 275.395 1.230 0 50 CDAA CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 120700317 QRSGAOIBFMMRDT-NSHDSACASA-N 286.253 1.725 0 50 CDAA O=C(C[C@@H]1CCCCN=C1O)N1C[C@@H]2CC[C@H](C1)O2 329265576 FGNIULSDCOMQNO-SDDRHHMPSA-N 266.341 1.523 0 50 CDAA CNC(=O)[C@H](C)NC(=O)c1ccc(-c2ccccc2)nc1O 356012726 XOTRLBBBYXKFHN-JTQLQIEISA-N 299.330 1.319 0 50 CDAA CN1CC2(CCN(Cc3nccs3)CC2)OC1=O 77536699 DWYBOUZQKBFJEI-UHFFFAOYSA-N 267.354 1.560 0 50 CDAA Cn1cnnc1[C@H]1CN(Cc2cccs2)CCO1 328624804 CPBBLBUYHCKTNW-LLVKDONJSA-N 264.354 1.450 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H](O)CC(C)C 215906260 XKADKMPIVMANKX-CYBMUJFWSA-N 267.373 1.434 0 50 CDAA O[C@@H](Cn1nnnc1/C=C/c1ccccc1)C(F)(F)F 158329788 KFDLYXKVRPOKMI-FGEFZZPRSA-N 284.241 1.767 0 50 CDAA Nc1cncc(-c2cncc(SCC(=O)O)n2)c1 215044154 YKPIUHZPICPXBW-UHFFFAOYSA-N 262.294 1.298 0 50 CDAA C[C@H]1CC(=O)NCCN1C(=O)c1ccoc1C1CC1 369055124 OAMXIQACJZQVMJ-VIFPVBQESA-N 262.309 1.508 0 50 CDAA CO[C@H](C)CC(=O)N1CCC(n2cncc2C)CC1 369428894 UJINRTGHFVZDGT-GFCCVEGCSA-N 265.357 1.780 0 50 CDAA CC(=O)N1CCCN(C(=O)Nc2ncccc2C)CC1 332344582 QHLZMJLUVZTWOG-UHFFFAOYSA-N 276.340 1.476 0 50 CDAA Cn1cc(CCC(=O)NCc2ccc(CO)cc2)cn1 215947789 CYQIBZPGROJQGM-UHFFFAOYSA-N 273.336 1.161 0 50 CDAA COCCn1ccnc1CN1CCC(CCO)CC1 218940658 IKHMYWJFHPXWFN-UHFFFAOYSA-N 267.373 1.124 0 50 CDAA CCO[C@@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)O 237023397 HCXLMOYLBPAPEC-WDEREUQCSA-N 257.330 1.657 0 50 CDAA C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[C@@H]2CO)CCN1 262333625 FHIPHDWPCNDWSZ-RVMXOQNASA-N 254.374 1.042 0 50 CDAA CC(=O)c1cc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)[nH]n1 77521702 VJPKVYUPDDVKBP-DCAQKATOSA-N 261.325 1.921 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(C1)NCCn1cccc12 211568927 YSJLEROPYPYPID-OAHLLOKOSA-N 277.368 1.927 0 50 CDAA O=C(Cc1noc2ccccc12)NCc1n[nH]c2c1CCC2 215131208 JEGMQGQGUZNLHL-UHFFFAOYSA-N 296.330 1.899 0 50 CDAA CC(C)[C@]1(C)C[C@@H]1NC(=O)CC[C@H]1CCC(=O)N1 333743674 LZLRNKSSPVOWCB-SUNKGSAMSA-N 252.358 1.596 0 50 CDAA CCCc1nnc(C(=O)N(C)C[C@]2(C)CCN(C)C2)o1 71750980 JPAZEXBBVPCAEF-CQSZACIVSA-N 280.372 1.436 0 50 CDAA CC(C)Cn1cncc1CNC(=O)c1ccncc1O 219489972 VLGYHMSYPQMZSG-UHFFFAOYSA-N 274.324 1.570 0 50 CDAA O=C1CCCN1CCN1C[C@@H](O)C[C@H]1c1cccc(F)c1 281892916 QBWXIIOVBIMLHB-GJZGRUSLSA-N 292.354 1.556 0 50 CDAA Cc1cc(Cl)ccc1S(=O)(=O)NCC(C)(C)N 129647464 OPPKKMWAMLJNKW-UHFFFAOYSA-N 276.789 1.664 0 50 CDAA Cc1nc(NCC2(Cn3cccn3)CC2)c2cnn(C)c2n1 72140475 NXWRGQDNWCBXPM-UHFFFAOYSA-N 297.366 1.761 0 50 CDAA COc1ccccc1CCC(=O)N1CC[C@@H](N)[C@@H](OC)C1 71415784 QBGDGURHIIISQA-HIFRSBDPSA-N 292.379 1.202 0 50 CDAA Cc1nn(C)cc1CNc1cc(C2CC(O)C2)ncn1 222847795 ULVGYWNRPJYOQU-UHFFFAOYSA-N 273.340 1.369 0 50 CDAA CC(C)OC(=O)CCN1CC(O)(c2ccccc2)C1 242191315 XENXXNOKJIOWPL-UHFFFAOYSA-N 263.337 1.532 0 50 CDAA C[C@H]1OCCN(Cc2cc(F)ccc2Cl)[C@@H]1C(N)=O 285265853 SGIONVUSSOTTGG-PELKAZGASA-N 286.734 1.554 0 50 CDAA CS[C@@H](CO)[C@H](C)NCc1ccc2nc[nH]c2c1 610090140 OVCRHIKKERMCKF-ZANVPECISA-N 265.382 1.765 0 50 CDAA CC(C)[C@@H](NC(=O)CN1CCCC1)c1nccn1C 222678355 WMIQUPWJSRNUHS-CYBMUJFWSA-N 264.373 1.329 0 50 CDAA CC(C)n1cc(CNC(=O)C2(Cn3ccnc3)CC2)cn1 223556638 AIFUQUZPMGJUKK-UHFFFAOYSA-N 287.367 1.757 0 50 CDAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)C1Cc3ccccc3C1)C2 426402114 VMGDIGAJNSAWFN-MIFYACCESA-N 270.376 1.597 0 50 CDAA CN(CC(=O)O)Cc1c(-c2ccccc2)nc2ncccn12 222386740 PCHDYRXEWOKOHE-UHFFFAOYSA-N 296.330 1.913 0 50 CDAA CC(C)(C)n1ccc(C(=O)N2CC=C[C@@H]2C(=O)O)c1 426624935 YHQHMOPMIIXGCY-LLVKDONJSA-N 262.309 1.708 0 50 CDAA O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1Cc1cc[nH]n1 239653948 BLWCMVGETKEAKE-JLLWLGSASA-N 274.324 1.505 0 50 CDAA O=C(N[C@H]1CCc2[nH]ncc2C1)c1ccn2ccnc2c1 178538347 SDEKROPIMHYMBL-LBPRGKRZSA-N 281.319 1.345 0 50 CDAA COc1ccccc1OC1CN(C(=O)c2cccn2C)C1 91444920 SHPUWXVRDNNZNJ-UHFFFAOYSA-N 286.331 1.937 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCCNCC2)c1Cl 237721247 YZMUXWBLOJPTHV-UHFFFAOYSA-N 288.800 1.632 0 50 CDAA COC(=O)Cn1c(=N)sc2cc3c(cc21)OCCO3 334159566 BFBBHLJZFHQBLA-UHFFFAOYSA-N 280.305 1.126 0 50 CDAA CCCn1cnnc1[C@@H](C)Nc1nc(N)ncc1C 91603811 AHNHAYIOXMUHBB-SECBINFHSA-N 261.333 1.542 0 50 CDAA CCC[C@H](C)C(=O)NCCNC(=O)c1ccn(C(C)C)n1 292602958 WENGBXLGQCKRFM-LBPRGKRZSA-N 294.399 1.746 0 50 CDAA COc1nc(C)cc(C)c1CNc1nc(N)ncc1C 91872038 PIJBIZRVJCJFBQ-UHFFFAOYSA-N 273.340 2.000 0 50 CDAA CC[C@@H](C(=O)NCc1ccncc1C)n1cccn1 91820364 LPKMGEPLSLTGCT-ZDUSSCGKSA-N 258.325 1.854 0 50 CDAA CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CN)C1 91692696 BGZSTQMQTTUBPO-MRVPVSSYSA-N 250.289 1.837 0 50 CDAA Cc1nc(C(=O)N2CCN3CCCC[C@H]3C2)cs1 96131701 KABPQCSLSZBRHY-NSHDSACASA-N 265.382 1.762 0 50 CDAA O=C(C1CCC1)N1CCN(Cc2ccccc2)C[C@H](O)C1 95501374 SEOJBKSWSGHRGR-INIZCTEOSA-N 288.391 1.492 0 50 CDAA CC[C@@H]1CN(C(=O)CCn2cc(C)cn2)CCN1C(C)C 91738178 ZIHOREXGDSRESY-OAHLLOKOSA-N 292.427 1.913 0 50 CDAA CCN(Cc1ccc(F)c(F)c1)[C@H]1COC[C@@H]1O 97610061 JXQXQSHWUOHTGN-STQMWFEESA-N 257.280 1.546 0 50 CDAA Cc1nn(CC(N)=O)c(C)c1-c1cnn(CCC(C)C)c1 96166605 NRFVWDZOTWCTPN-UHFFFAOYSA-N 289.383 1.895 0 50 CDAA COCCN1C[C@H](Cc2cc(C)nc(C(C)C)n2)CC1=O 244884370 YLHLBUNMYVJFDX-CYBMUJFWSA-N 291.395 1.946 0 50 CDAA O=C(O)CCC(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244678958 INCRJZUWPLTJDR-MGPQQGTHSA-N 291.347 1.350 0 50 CDAA CCc1cc(C(=O)N(C)Cc2noc(C3CC3)n2)n[nH]1 622719140 XHISYDAJICFVFY-UHFFFAOYSA-N 275.312 1.505 0 50 CDAA CCn1ccc(CN(CCO)Cc2ccccc2)n1 252508443 XNKSGLFZXWNIEK-UHFFFAOYSA-N 259.353 1.898 0 50 CDAA CSCC[C@H](N)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 299739106 KNADUFWHLQENDX-WOPDTQHZSA-N 273.446 1.008 0 50 CDAA N#Cc1ccc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1 299739038 JSCXZYZVZHDFRA-ZDUSSCGKSA-N 296.334 1.090 0 50 CDAA COCCn1ccn2nc(-c3ccccc3)c(CO)c2c1=O 263616488 IZWHBBUHVFAAOD-UHFFFAOYSA-N 299.330 1.302 0 50 CDAA COCC1(CNc2nc(N)c3cnn(C)c3n2)CCCC1 534658913 DXTIGVBXXXBAGG-UHFFFAOYSA-N 290.371 1.564 0 50 CDAA COc1cccc(CCC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N)c1 534636997 MXOSCJVORHSUBP-HALDLXJZSA-N 288.391 1.824 0 50 CDAA CCOCC(C)(C)NC(=O)NC[C@H](O)c1ccc(O)cc1 534673721 VARFZSOBOMEQOG-ZDUSSCGKSA-N 296.367 1.540 0 50 CDAA Cn1ncc2c(N)nc(N3C[C@H]4CCC[C@@H](C4)C3)nc21 367344879 BPGQRJORFOSPOB-UWVGGRQHSA-N 272.356 1.572 0 50 CDAA CCOCCNC(=O)N1CCC[C@H](c2ccncn2)C1 374504885 LOZWLLPNNJNIIG-LBPRGKRZSA-N 278.356 1.402 0 50 CDAA COCC1(CNC(=O)c2cccnc2OC)CCC1 282662048 MXPNJOAEWOYRRQ-UHFFFAOYSA-N 264.325 1.637 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)c2cn(C)cn2)n1 299780992 CWWFSAAPNGLACR-LLVKDONJSA-N 258.325 1.485 0 50 CDAA O=C(NCc1ccon1)Nc1ccnn1CC1CC1 299759817 NGCPERHFQRJOLS-UHFFFAOYSA-N 261.285 1.603 0 50 CDAA Cc1cc(C)cc(NC(=O)NC[C@@]2(O)CCNC2)c1 299774103 AFSKKXNPLRFAEG-CQSZACIVSA-N 263.341 1.149 0 50 CDAA O=C(c1cn2cccnc2n1)N1CCC(C2(O)CC2)CC1 652667439 QZTMLRHIJWOPEO-UHFFFAOYSA-N 286.335 1.106 0 50 CDAA COC(=O)N[C@H](C)c1n[nH]c(Cc2cccs2)n1 824156213 WXVGHZCPXDKFKZ-SSDOTTSWSA-N 266.326 1.874 0 50 CDAA CCCS(=O)(=O)NCc1nc(C)cc(C(F)(F)F)n1 822993525 CHEKMSBQDLGWRG-UHFFFAOYSA-N 297.302 1.633 0 50 CDAA O=C(C[C@@H]1CCCOC1)N1CCC(c2nc[nH]n2)CC1 670459194 GNVRCHNGRSPTPC-NSHDSACASA-N 278.356 1.327 0 50 CDAA Cn1cncc1CN(CCO)CCc1ccccc1 674369637 CYSRZLFVJOSFOC-UHFFFAOYSA-N 259.353 1.457 0 50 CDAA O=C(CN1Cc2ccccc2OC1=O)Nc1cncnc1 1411330066 IWGKTHWKPREYHA-UHFFFAOYSA-N 284.275 1.430 0 50 CDAA CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1Cc1nncn1C 1414071434 YMYOEKQQLXWTOM-KGLIPLIRSA-N 277.416 1.510 0 50 CDAA O=C(CCc1ccncc1)NC1C[C@@H]2CC[C@H](C1)N2 132557365 WQCBMEONWKFYCS-PBWFPOADSA-N 259.353 1.413 0 50 CDAA C[C@@H]1CCCN(C(=O)C2CCN(CCCCO)CC2)C1 303369512 JSUCLVJCACPFIG-CQSZACIVSA-N 282.428 1.729 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(Cl)s1 1565506664 AMHDZFZERZEYHC-YUMQZZPRSA-N 275.757 1.935 0 50 CDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1ccon1 1565510749 SRLSXOXNEVVBNS-GHYVTOPFSA-N 291.351 1.046 0 50 CDAA CCCc1cc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)C2)n[nH]1 1565528198 TYPSLPJYHVEMJS-MNOVXSKESA-N 293.367 1.822 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](CO)C(F)(F)C1 95626807 GBFXSKJJISVIRA-QMMMGPOBSA-N 251.273 1.871 0 50 CDAA in-vitro CC[C@@]1(C)COCCN1C(=O)c1snnc1C 408362068 LJRZZXBNFLHWLW-NSHDSACASA-N 255.343 1.488 0 50 CDAA COc1cc(I)c(OC)c(OC)n1 77011225 QPBDISDYFYSWIM-UHFFFAOYSA-N 295.076 1.712 0 50 CDAA in-vitro Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCNC2)[C@H](C)CO1 269216420 KOQDWGPXXAIPMI-FMKPAKJESA-N 288.391 1.893 0 50 CDAA CCc1cccnc1C(=O)NC[C@@H]1CCCC[C@H]1O 271043694 NMKLXYUGBNPPTR-QWHCGFSZSA-N 262.353 1.925 0 50 CDAA CN(C)[C@@H](CNc1nc(Cl)[nH]c2ncnc1-2)C1CC1 892346480 ZTQDAJGKOAPXHE-QMMMGPOBSA-N 280.763 1.710 0 50 CDAA COCc1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)o1 186008379 XVPWUCYSTOWEGE-CQSZACIVSA-N 281.308 1.058 0 50 CDAA CCC(C)(C)C(=O)N[C@@H](C)c1nnnn1C1CC1 170611819 BPUYGPPLDMDMLL-QMMMGPOBSA-N 251.334 1.621 0 50 CDAA N[C@H]1CCN(C(=O)c2cccc3cc(O)ncc23)C1 637821471 RBVGFDGGIKDTKG-JTQLQIEISA-N 257.293 1.114 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2COC[C@H]2c2ccccc2)C[C@@H]1CN 638905241 RCXOSJPWTRDWDB-SYAUCNOPSA-N 288.391 1.470 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1cc(C)ccc1OC 643763032 QSSZFEORWNLYED-MRXNPFEDSA-N 292.379 1.470 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@H]1Cc2ccccc21 643849108 SVLNAXSTZHRTHI-BBRMVZONSA-N 289.331 1.419 0 50 CDAA Cc1cc(CC(=O)NC[C@]2(O)CCCC2(C)C)n(C)n1 576145811 DQMKURXPFALNLM-OAHLLOKOSA-N 279.384 1.328 0 50 CDAA C[C@H](C[S@](C)=O)N(C)Cc1cn(C(C)(C)C)nn1 191491693 QEJCCYOOZWCCKA-MGNBDDOMSA-N 272.418 1.232 0 50 CDAA CN(Cc1cc[nH]n1)C[C@@H]1CCO[C@H]1c1nccn1C 667618235 QHZRBZJMCOROCS-WCQYABFASA-N 275.356 1.353 0 50 CDAA C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC[C@@H](C)C1 649072627 GDTKSNKMAHQYAL-AGIUHOORSA-N 281.400 1.001 0 50 CDAA COc1cc(CCNC(=O)[C@@]2(C)CCCNC2)ccc1F 195555080 QFGOYTSMAAZEES-INIZCTEOSA-N 294.370 1.883 0 50 CDAA CCCS(=O)(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 195574183 RARGNOWWILPFCH-NEPJUHHUSA-N 262.419 1.436 0 50 CDAA CC1(C)COC[C@H]1NCc1nncn1-c1ccccc1 567191377 XNXCYJWVSLZOKT-CYBMUJFWSA-N 272.352 1.782 0 50 CDAA CN1CCN(C(=O)Nc2cccc(Cl)c2)C[C@H]1CO 687596208 RFSMZMWSDGORIR-LBPRGKRZSA-N 283.759 1.480 0 50 CDAA COC(=O)C[C@@H](NC(=O)Cc1ccoc1)c1ccncc1 584908837 HAGSTDRHMXQXJZ-CYBMUJFWSA-N 288.303 1.638 0 50 CDAA C[C@H](NC(=O)NCC(=O)N=S(C)(C)=O)c1ccccc1 585137708 QESBBBXNKZMETJ-JTQLQIEISA-N 297.380 1.301 0 50 CDAA CC[C@@H]1[C@@H](C(=O)NCc2cnn(C)c2C)CCN1C 585131121 MGDYDCWCJOPOQF-QWHCGFSZSA-N 264.373 1.075 0 50 CDAA Cc1ncoc1CNS(=O)(=O)[C@H]1C[C@@H]1c1ccccc1 1615605731 BZJXYZOWVNYOMA-OCCSQVGLSA-N 292.360 1.959 0 50 CDAA COc1nscc1-c1noc([C@H]2CCCN2C)n1 1615612968 DLLDXCIXZYRQLM-MRVPVSSYSA-N 266.326 1.968 0 50 CDAA O[C@H]1CN(CC2CCCCC2)C[C@@H]1Cc1cnccn1 1616081618 GWYQYCBFVUFNER-HOCLYGCPSA-N 275.396 1.892 0 50 CDAA O=C(N[C@H]1CCC[C@H]1C(=O)O)C(=O)c1ccc(F)cc1 1601569189 JWFJJDBGJYLPQZ-MNOVXSKESA-N 279.267 1.378 0 50 CDAA Cc1cc(C)n(C[C@H](O)COCc2ccco2)n1 380989 KGAVXNVAZPQKGX-LBPRGKRZSA-N 250.298 1.671 0 50 CDAA O=C(Nc1cccc(F)c1)c1cn2c(n1)CCNCC2 1875245221 QBIJIXNOSKJXCN-UHFFFAOYSA-N 274.299 1.420 0 50 CDAA NC(=O)[C@H](Cc1ccccc1)NC1CSCCSC1 1506404352 HAYSKYUXYNKNPP-ZDUSSCGKSA-N 296.461 1.521 0 50 CDAA Cc1ncn(CCNc2ncc(F)c(N(C)C)n2)c1C 1529191468 ZKEMWHLFYFAPOU-UHFFFAOYSA-N 278.335 1.607 0 50 CDAA c1n[nH]cc1CCN1CCN(C2CCCCC2)CC1 223094879 DAINXGZBCUGNBM-UHFFFAOYSA-N 262.401 1.903 0 50 CDAA O=C1O[C@@H]2[C@@H](I)[C@H]3C[C@@H]1[C@H]2C3 149677305 HDHTTWLQAIUNEA-OVHBTUCOSA-N 264.062 1.371 0 50 CDAA in-vitro Cc1cc(C[C@@H]2CN(c3ncccc3Cl)C[C@@H]2O)n[nH]1 1704308017 CKRUTHNTQVGHDA-MFKMUULPSA-N 292.770 1.806 0 50 CDAA O[C@@H]1CN(c2ncc(Cl)cc2Cl)C[C@H]1F 1704312154 LQXRYZQNJMKMHH-HTQZYQBOSA-N 251.088 1.907 0 50 CDAA COc1cnc(C)cc1C(=O)N1CCC[C@H]1C1(O)CC1 1857677041 PPOURELFOBASDA-ZDUSSCGKSA-N 276.336 1.528 0 50 CDAA Cc1ncc(C(=O)NCCSC(F)(F)F)c(O)n1 1857691342 HHJGXYQTWDTZLU-UHFFFAOYSA-N 281.259 1.473 0 50 CDAA CN(Cc1noc(C2CC2)n1)c1ncnc2cc[nH]c12 1772814594 JADPLQULZDSVPQ-UHFFFAOYSA-N 270.296 1.855 0 50 CDAA C[C@@H]1CN(C)[C@@H](c2ccccc2)C[C@@]12NC(=O)NC2=O 5998472 JIVUQMZFYBMAHJ-IXPVHAAZSA-N 273.336 1.278 0 50 CDAA O=c1[nH]c2ccccc2c(=O)n1CCSc1ccccn1 5130521 NSKPLZSMPUFRTQ-UHFFFAOYSA-N 299.355 1.877 0 50 CDAA COc1ccc(CN2CCC[C@H]2CO)c(OC)c1 5526761 NNOLFIOQMYOVJX-LBPRGKRZSA-N 251.326 1.661 0 50 CDAA CCOc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1 14252174 SLPVEEYAKYPXPM-UHFFFAOYSA-N 298.408 1.458 0 50 CDAA O=c1[nH]c2ccccc2c(=O)n1-c1ccccc1F 18180262 VQUIZVZESNELIW-UHFFFAOYSA-N 256.236 1.818 0 50 CDAA COc1ccc2cc(-c3nccn3CCO)c(O)nc2c1 1857691717 APZKMBVFYJXBCR-UHFFFAOYSA-N 285.303 1.805 0 50 CDAA O=C1CCOC2(CCN(Cc3ccc(Cl)o3)CC2)CN1 1857732371 NQAWYKSEQGKSBU-UHFFFAOYSA-N 298.770 1.804 0 50 CDAA CC(C)n1ccc(C(=O)N[C@H](C2CC2)[C@@H](CO)C2CC2)n1 408519840 NOCKLXJCVOZEFD-DZGCQCFKSA-N 291.395 1.991 0 50 CDAA C[C@H]1CCO[C@@H]1C(=O)Nc1cccc(-n2ccnn2)c1 119292395 FDCYNZJEBJVVQY-GWCFXTLKSA-N 272.308 1.631 0 50 CDAA Cc1cncc(CNC(=O)N[C@H]2CCO[C@@H]2C2CC2)c1 242292525 YMXMLNLQPOIIAY-UONOGXRCSA-N 275.352 1.757 0 50 CDAA COc1cccc(C[C@@H](C)NC(=O)[C@H]2CSCN2)c1 360187284 GAXXVJPQJLKQGI-ZWNOBZJWSA-N 280.393 1.405 0 50 CDAA C[C@H](NC(=O)c1cc(C(C)(C)C)on1)[C@@H](C)C(=O)O 263420775 IUCXMJOLINPBAZ-SFYZADRCSA-N 268.313 1.811 0 50 CDAA COc1cncc(CNc2n[nH]cc2C(=O)N(C)C)c1 902659092 HEOKOMFXTZPOBL-UHFFFAOYSA-N 275.312 1.127 0 50 CDAA CCC1(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)COC1 907938792 JLKWRRDLPBXMFO-ZRUFSTJUSA-N 267.325 1.029 0 50 CDAA COc1cncc(N2CCN(Cc3n[nH]cc3C)CC2)c1 931211945 QLJLQBDYRMYLOE-UHFFFAOYSA-N 287.367 1.444 0 50 CDAA COc1cncc(N2CCN(Cc3ncc(C)cn3)CC2)c1 931210958 DYFJFYAIJDYRDQ-UHFFFAOYSA-N 299.378 1.511 0 50 CDAA O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)O[C@H]1CNOC1 864094560 XYXRTXBUHXCGTP-VGMNWLOBSA-N 282.262 1.737 0 50 CDAA COc1ccc([C@@H]2NC(=O)[C@@H](CC(C)C)NC2=O)cc1O 1875278787 FNBHOWGXBVZSPF-MFKMUULPSA-N 292.335 1.103 0 50 CDAA C[C@@H]1OCC[C@@H]1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 1875270015 CWMSELMBZBBKQY-VYDRJRHOSA-N 253.386 1.894 0 50 CDAA c1cc(-c2n[nH]c(=N[C@H]3CCN4CCCC[C@H]34)s2)no1 1875275362 CELQAJZSLWWARA-GXSJLCMTSA-N 291.380 1.654 0 50 CDAA Cc1ccc(CC(=O)N2CCCC[C@H]2Cc2nn[nH]n2)cc1 1875285888 DXSLGRNEZDESAM-AWEZNQCLSA-N 299.378 1.674 0 50 CDAA COC(=O)c1c(C(=O)N2CCC(C)(C)C2)n[nH]c1C 1875280524 RTXIQCYMQAZGSR-UHFFFAOYSA-N 265.313 1.377 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCc1cncc2c1CCC2 1875370022 XVJBCRLSCASGPM-UHFFFAOYSA-N 287.363 1.221 0 50 CDAA O=C(O)c1cc(CCNC(=O)[C@@H]2CC=CCC2)[nH]n1 1875306625 ADPKVABXWHNLIM-SECBINFHSA-N 263.297 1.123 0 50 CDAA C=CC(=O)NC[C@@H]1OCCN(C)[C@H]1c1ccccc1 888098369 ABVUCMJFVBYMDM-ZFWWWQNUSA-N 260.337 1.361 0 50 CDAA C=CC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 888102399 VDULOXNEHDSZCQ-SNVBAGLBSA-N 260.293 1.103 0 50 CDAA CCc1c(C)nc2ncnn2c1N[C@H](C)c1nccn1C 894592835 XTHYDEHURQDAJZ-SNVBAGLBSA-N 285.355 1.902 0 50 CDAA CN(Cc1nc(-c2ccccn2)no1)[C@@H]1CCOC1 12718363 CRKVGYCBJRDHOS-SNVBAGLBSA-N 260.297 1.352 0 50 CDAA Cc1ccc(-c2noc(CN3CCOCC3)n2)cc1 20000902 WMJIDOMONKAJDM-UHFFFAOYSA-N 259.309 1.877 0 50 CDAA COc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)c1OC 268933970 ZVHNYUAIQGRVLF-NXEZZACHSA-N 279.292 1.041 0 50 CDAA Cc1ccc(S(=O)(=O)NCc2csc(N)n2)s1 74801442 BMHGRNFZFPLKEL-UHFFFAOYSA-N 289.407 1.574 0 50 CDAA Cc1nc(C)c(CNC(=O)C[C@@H]2CCCNCC2)o1 563096797 KZRYNFFLEFWCCT-GFCCVEGCSA-N 265.357 1.687 0 50 CDAA Cc1nn2c(nc1=O)SCC(c1ccccc1)=N2 618004 WYVCHXQYBKXQQW-UHFFFAOYSA-N 258.306 1.305 0 50 CDAA CCOc1ncccc1-c1n[nH]c(-n2ccnc2)n1 2100480349 FIOHLQOEDITSBM-UHFFFAOYSA-N 256.269 1.451 0 50 CDAA CN(C)c1ccccc1-c1nc(N2CCOCC2)n[nH]1 2100480957 YJVKBJHOFGTTLI-UHFFFAOYSA-N 273.340 1.374 0 50 CDAA CC[C@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)N(CC)CC)C1 2325798965 LOWZRBNPCJKJIB-QWRGUYRKSA-N 292.401 1.148 0 50 CDAA CCc1ccc([C@H](C)C(=O)N[C@@H]2CCN(C(N)=O)C2)cc1 114365010 ZNJHBODTEKZYHM-SMDDNHRTSA-N 289.379 1.622 0 50 CDAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccccn1 114586 NLLQTXYPBUKVLO-HNNXBMFYSA-N 268.272 1.494 0 50 CDAA CCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 122502 WKXHGFBQMXSDSH-UHFFFAOYSA-N 257.311 1.114 0 50 CDAA CC(C)(C)NC(=O)CSc1nnn(-c2ccccc2)n1 136433 LCSMPCHGZOSRAV-UHFFFAOYSA-N 291.380 1.669 0 50 CDAA CC1CCN(C(=O)CNC(=O)c2ccccc2)CC1 146078 AJRACBFGQLNTTQ-UHFFFAOYSA-N 260.337 1.675 0 50 CDAA COc1ccc(OC)c(S(=O)(=O)n2cccn2)c1 270160 KAQKADQAEHPAII-UHFFFAOYSA-N 268.294 1.137 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NCC(=O)NC2CC2)c(C)c1 469658 LIMVYXMINHCCCJ-UHFFFAOYSA-N 296.392 1.169 0 50 CDAA S=C(NCc1ccco1)N1CCC2(CC1)OCCO2 612222 KLWZBHLCGOKNPP-UHFFFAOYSA-N 282.365 1.493 0 50 CDAA Cc1cc(Br)ccc1N1C(=O)CC(=O)NC1=O 1182338 YLFSDVUIMRKSBD-UHFFFAOYSA-N 297.108 1.730 0 50 CDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC(C)C)C1 3007864 SIXZBINDSDOFSA-GFCCVEGCSA-N 290.429 1.210 0 50 CDAA COc1cccc(C2=NO[C@@H](C(=O)N3CCOCC3)C2)c1 4111034 BIYQIRBZPDLSDZ-CQSZACIVSA-N 290.319 1.047 0 50 CDAA COc1ccc(CN2CCC[C@H]2CO)c(OC)c1C 6667498 JBDQEEDZWGBFQW-ZDUSSCGKSA-N 265.353 1.969 0 50 CDAA COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1 100121570 CBUZAPHIURLGAR-UHFFFAOYSA-N 262.265 1.351 0 50 CDAA O=C1CN(c2ccnc(C3CC3)n2)[C@@H]2CCCC[C@H]2N1 225417430 LZFGWUBLOBNYLZ-VXGBXAGGSA-N 272.352 1.601 0 50 CDAA C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CC1(C)C 225611842 KRVUZBRCNFMMSX-UTUOFQBUSA-N 274.430 1.435 0 50 CDAA Cn1cncc1CNC1CCN(C(C)(C)C)CC1 112341691 ADCANWJZDDAJKI-UHFFFAOYSA-N 250.390 1.773 0 50 CDAA CCC(CC)n1nc(C)cc1NC(=O)CN1CCOC1=O 55413949 QBAQCHSZYWPOQA-UHFFFAOYSA-N 294.355 1.943 0 50 CDAA Cc1cc(N2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)nc(N)n1 102122139 JOWCQQKMLUKFQN-KKUMJFAQSA-N 299.422 1.701 0 50 CDAA Cc1cc(N(C)CCCO)nc(N2CCCCC2)n1 65458207 QWXQBCJEASGSKM-UHFFFAOYSA-N 264.373 1.594 0 50 CDAA Cc1cc(C(=O)N(C)Cc2snnc2C)nc(C)n1 65396645 QYALFCXLSFJTFT-UHFFFAOYSA-N 277.353 1.526 0 50 CDAA C[C@H](C(=O)N1Cc2cnc(C(C)(C)C)nc2C1)N(C)C 67432018 MCEURBZYNHKDCS-SNVBAGLBSA-N 276.384 1.566 0 50 CDAA Cc1cc(NC(=O)c2c(Cl)c(C)nn2C)no1 371575 MPJOCBDGAGDIAN-UHFFFAOYSA-N 254.677 1.931 0 50 CDAA O=C1CC[C@@H](c2nn3c(C4CCCC4)nnc3s2)N1 71752884 STMGBMCCSMNANN-QMMMGPOBSA-N 277.353 1.795 0 50 CDAA CC(C)(C)c1cc(C(=O)Nc2ccn(CC(=O)O)n2)no1 122723529 ZXESZBKFBOXKRA-UHFFFAOYSA-N 292.295 1.506 0 50 CDAA Cc1ccoc1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328623738 JKLVRMXXJJFGGR-LLVKDONJSA-N 274.324 1.440 0 50 CDAA O=C1[C@@H]2CCCN2C(=O)N1[C@H]1CCN(c2ccccc2)C1 253630298 YNTKXVQXKUOQLN-KBPBESRZSA-N 285.347 1.692 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCCn1cnnc1C(C)C 331201832 XGCOFUAJSUGCGH-OLZOCXBDSA-N 294.399 1.723 0 50 CDAA C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C3CC3)CC2)[C@@H]1C 126025274 QQSQLIUCXRFAQI-FMKPAKJESA-N 293.455 1.707 0 50 CDAA COc1ccc([C@@H](NC(=O)[C@H]2CCCOC2)C(=O)O)cc1 263125468 FKXPNZDPPMQKQT-WCQYABFASA-N 293.319 1.364 0 50 CDAA O=C(N[C@H]1CCc2nnc(Cc3ccccc3)n2C1)C1CC1 374789288 UQTGHOHSLCBWLP-AWEZNQCLSA-N 296.374 1.710 0 50 CDAA Cc1cc(C)c(C(N)=O)c(N2CCC[C@@H](CCCO)C2)n1 32581017 DURXBIIFQURKAT-ZDUSSCGKSA-N 291.395 1.786 0 50 CDAA CCOc1ccc(S(=O)(=O)NC[C@H](C)O)c(C)c1C 36638824 OUDMHVSCUKEWSK-VIFPVBQESA-N 287.381 1.361 0 50 CDAA Cc1ncc(C(=O)N2CCCC[C@@H]2CCN(C)C)c(=O)[nH]1 72478392 VMRRJJKYHILIMC-GFCCVEGCSA-N 292.383 1.025 0 50 CDAA COc1ccccc1OC1CN(Cc2cccnc2N)C1 72164760 GAGHBPAZTNXFCZ-UHFFFAOYSA-N 285.347 1.936 0 50 CDAA Cc1cc(O)nc(-c2ccc(NC(=O)[C@@H](C)CN)cc2)n1 262580956 UMIJFEGUWGAQGT-VIFPVBQESA-N 286.335 1.691 0 50 CDAA CO[C@H]1CCN(C(=O)N=c2ccc(C3CC3)n[nH]2)C[C@H]1C 333488023 IKKPPWJHOGLIOX-MFKMUULPSA-N 290.367 1.665 0 50 CDAA Cc1cc(O)nc(-c2ccc(NC(=O)[C@H](C)CN)cc2)n1 262580955 UMIJFEGUWGAQGT-SECBINFHSA-N 286.335 1.691 0 50 CDAA COC(=O)[C@H](CN1CCCCC1)NC(=O)OC(C)(C)C 71873608 WQQPQIUEXHEAKU-NSHDSACASA-N 286.372 1.539 0 50 CDAA CN1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 72163474 KDXMAZVYUPJESD-ARFHVFGLSA-N 258.365 1.884 0 50 CDAA CSc1ccccc1CN1CCOC[C@@H]1CO 215090926 UEIHYLXTIBJOOD-LBPRGKRZSA-N 253.367 1.602 0 50 CDAA C/C=C(\CC)C(=O)N1CCC[C@@H](c2n[nH]cc2C(N)=O)C1 375633695 YREWVVRESAVTSQ-JNZVDCKRSA-N 290.367 1.571 0 50 CDAA C[C@H](Cc1ccccc1)N1C(=O)NC2(CCNCC2)C1=O 77516558 RATVVACKQCOBPZ-GFCCVEGCSA-N 287.363 1.292 0 50 CDAA CCC(=O)NC[C@@](C)(NC(=O)CC)C(F)(F)F 240871405 IKIFLIQQJUSKBW-SECBINFHSA-N 254.252 1.360 0 50 CDAA Cc1[nH]nc(C(C)C)c1C(=O)N1CCC[C@](F)(CO)C1 335315343 PUZRESIUADSQNU-CQSZACIVSA-N 283.347 1.778 0 50 CDAA CN1CCN(C(=O)[C@H]2C[C@@]23CCNC3)c2ccccc2C1 335411497 GBPCDVNVIQFNOT-RHSMWYFYSA-N 285.391 1.465 0 50 CDAA Cc1nc(CNC(=O)CCc2scnc2C)cc(=O)[nH]1 82091791 SEOJYALTPOJOLF-UHFFFAOYSA-N 292.364 1.092 0 50 CDAA O=C(NC[C@@H]1CCC[C@H]1O)c1ccc2nc(O)oc2c1 608156299 GUGXQOLWWVNXBI-GXSJLCMTSA-N 276.292 1.424 0 50 CDAA Cc1ccnn1CCC(=O)NCC[C@@H]1CCOC1 223873746 DFZNJKXRJNLGOY-GFCCVEGCSA-N 251.330 1.124 0 50 CDAA Cc1ncccc1C(=O)NCCn1cc(Cl)cn1 222941497 QHFQTTWJUAWUNH-UHFFFAOYSA-N 264.716 1.670 0 50 CDAA CC[C@H](O)CN1CCN(C(=O)OC(C)(C)C)CC1 135510242 BGBWZMDSNXKRNP-NSHDSACASA-N 258.362 1.310 0 50 CDAA Cc1nc(CN(C)C(=O)c2c[nH]c(C(F)(F)F)c2)no1 293465585 LQWGJCOSCRRVKZ-UHFFFAOYSA-N 288.229 1.997 0 50 CDAA Cc1cc([C@@H]2CCCCN2C(=O)CCn2cncn2)no1 223382971 GTQCCVSFVSMFRI-ZDUSSCGKSA-N 289.339 1.718 0 50 CDAA C[C@]1(C(=O)NCCCOc2cccnc2)CCCCO1 426503525 YFJFVJKWWJYKDJ-OAHLLOKOSA-N 278.352 1.926 0 50 CDAA COC[C@@H]1CCCN1C(=O)Cc1ccc(OCCN)cc1 426734586 XNVSKTDBGLPBNO-AWEZNQCLSA-N 292.379 1.204 0 50 CDAA CCOc1cccc(CN(C(=O)NCC(=O)O)C2CC2)c1 426651369 QAYMULUNLABQMM-UHFFFAOYSA-N 292.335 1.844 0 50 CDAA CC(C)Oc1cccnc1C(=O)N1CC[C@H](C(=O)O)C1 178267305 VRCULKHRIBNQMG-JTQLQIEISA-N 278.308 1.416 0 50 CDAA Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@H]2CCNC2)s1 237410192 YLUQNJSLWWOFFQ-KOLCDFICSA-N 267.398 1.889 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H](C)n1ccnc1C 426434465 MQLNWJXNMULRGK-LBPRGKRZSA-N 289.383 1.794 0 50 CDAA CCOC(=O)c1ccc(S(=O)(=O)C2CC2)nc1 230507471 IVZSXHQUCRXFNO-UHFFFAOYSA-N 255.295 1.194 0 50 CDAA COCCc1noc(Cn2ccc3ncccc3c2=O)n1 95372085 SDHBMVDQFGKHQY-UHFFFAOYSA-N 286.291 1.017 0 50 CDAA COc1cccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)c1 239415296 UDBOPXKFAIRNQR-FDYHWXHSSA-N 289.287 1.288 0 50 CDAA O=C(NOCc1cccnc1)[C@@H]1Cc2ccccc2O1 178993369 LUZDWEGFRVHZJM-AWEZNQCLSA-N 270.288 1.633 0 50 CDAA COc1cccc(OCC(=O)N2CCC[C@H]2CN)c1 237277486 WBGPEWARZYLCJG-NSHDSACASA-N 264.325 1.024 0 50 CDAA COc1cccn(CC[C@@H]2CCCCN2C)c1=O 95520874 RJFUKRNYCZSDKA-LBPRGKRZSA-N 250.342 1.731 0 50 CDAA Cc1nn(C)c2nc(NC3CCNCC3)sc12 95525071 PYPGPJIKBIABCD-UHFFFAOYSA-N 251.359 1.502 0 50 CDAA Cc1cc2cc(C(=O)N3CCS(=O)(=O)CC3)ccc2o1 97815466 FQMVNHDQXWSKDZ-UHFFFAOYSA-N 293.344 1.612 0 50 CDAA CCc1noc(-c2coc(CN3CCOCC3)c2)n1 95387633 ZMSQLCNKSMUMPX-UHFFFAOYSA-N 263.297 1.724 0 50 CDAA CCCn1ncnc1[C@H](C)Nc1nc(N)ncc1C 92046869 LZDVPGPRNDSULU-VIFPVBQESA-N 261.333 1.542 0 50 CDAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(=O)n(C)c1 92045981 IWDZQKVYJMCUGT-AWEZNQCLSA-N 292.379 1.807 0 50 CDAA Cc1cccc(CCn2ncc(N(C)C)cc2=O)n1 95373752 MTEWTANEKCFZOQ-UHFFFAOYSA-N 258.325 1.255 0 50 CDAA CN(C)CCN(CC(=O)O)Cc1ccc2ccn(C)c2c1 244734840 NMSPJPSSBLPFPZ-UHFFFAOYSA-N 289.379 1.627 0 50 CDAA CCC1=NO[C@@H](CN2CCOc3ccc(CO)cc3C2)C1 244882882 YAYWYJOTQSXILB-OAHLLOKOSA-N 290.363 1.928 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]3[C@@H]2C(=O)O)cc1 248032755 QWPCMWVCXJFTLR-MVWJERBFSA-N 281.333 1.089 0 50 CDAA CC1(CNC(=O)CSC(F)(F)F)CCNCC1 181276989 GLNKMONREPBAIM-UHFFFAOYSA-N 270.320 1.745 0 50 CDAA CCc1c(C(=O)N[C@H]2CC[C@@H](CO)C2)ccn1C 295450261 LDEHAXHWMNSLRC-MNOVXSKESA-N 250.342 1.478 0 50 CDAA Cc1cc(C(=O)NCCc2noc(C(C)C)n2)no1 252485615 HAIIDGYYNKPBBZ-UHFFFAOYSA-N 264.285 1.462 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 299739376 NTUPSDCATRFZFZ-CMPLNLGQSA-N 274.368 1.553 0 50 CDAA O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccnc1O 625199937 CNDLMIDKZBXPCQ-LBPRGKRZSA-N 299.286 1.516 0 50 CDAA CCN1CCC(CNc2nc(C)cnc2C)(N(C)C)CC1 534635629 GCSQYCVBYQOMJB-UHFFFAOYSA-N 291.443 1.921 0 50 CDAA CCn1ncc(C)c1NC(=O)c1ccc(N(C)C)nc1 618442277 QICZQOPJXOMLHJ-UHFFFAOYSA-N 273.340 1.925 0 50 CDAA Cc1cc(C)n(CCNC(=O)c2cnc3cnn(C)c3c2)n1 1940194665 DCXPOCHQFLLRBD-UHFFFAOYSA-N 298.350 1.212 0 50 CDAA CC(C)n1cc(NC(=O)NCc2ccccn2)nn1 299790410 ALTBYKRFFSFJIP-UHFFFAOYSA-N 260.301 1.576 0 50 CDAA Cc1noc(C)c1CC(=O)N(C)CCn1ccnc1 584889064 DXGHNIBJWHMPSM-UHFFFAOYSA-N 262.313 1.189 0 50 CDAA CNC(=O)C[C@@H]1CCN(Cc2cc(C(C)C)no2)C1 823821037 PDTLKHFGCHNMHP-NSHDSACASA-N 265.357 1.756 0 50 CDAA Cc1[nH]nc2c1CN(Cc1nncn1C(C)C)CC2 670460072 BANFTCSBNDLQEG-UHFFFAOYSA-N 260.345 1.449 0 50 CDAA O=C(C1CC1)N1CCC[C@@H](n2cnc3cnccc3c2=O)C1 670444618 SFUKAQHQDZGEKU-GFCCVEGCSA-N 298.346 1.365 0 50 CDAA CCC1=NO[C@H](C(=O)NCc2c(C)n[nH]c2C)C1 670455634 NJUXXHLSLYBARF-NSHDSACASA-N 250.302 1.198 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)O)=NO2)C1 51943372 VDBHRLLAIDADMX-GFCCVEGCSA-N 270.285 1.227 0 50 CDAA in-vitro Cc1cc(-n2cccn2)ccc1CN1C[C@@H](O)[C@H](F)C1 952965345 DVYQXDMCCANBQP-HUUCEWRRSA-N 275.327 1.695 0 50 CDAA CCc1nccn1CCC(=O)N[C@@H](CC)c1ccnn1C 952981242 CZILNLOAOSZALU-LBPRGKRZSA-N 289.383 1.837 0 50 CDAA O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@@H](Cn2ccnn2)C1 1362201796 WMNWVFJHBJEPQS-SYQHCUMBSA-N 290.367 1.084 0 50 CDAA O=C(Nc1cnns1)N1CCC(O)(C(F)(F)F)CC1 408367947 ZPYCLOKTHOYBOB-UHFFFAOYSA-N 296.274 1.459 0 50 CDAA CC[C@H](CNC(=O)N1CCC(c2cn[nH]c2)CC1)C(=O)O 404462180 KIQRZTZNNWRVJG-SNVBAGLBSA-N 294.355 1.410 0 50 CDAA CCc1nc(C)c(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)o1 1565516527 UUCULGSUUCTHCY-LPEHRKFASA-N 250.298 1.453 0 50 CDAA CCOC(=O)CN(C)C(=O)c1cccc(O)c1F 1464508232 SDBWLBBMDIUOKX-UHFFFAOYSA-N 255.245 1.166 0 50 CDAA O=C(NS(=O)(=O)Cc1cccnc1)[C@@H]1CC[C@@H]2C[C@H]2C1 408504564 VIGRAYVGSCFIIO-UPJWGTAASA-N 294.376 1.464 0 50 CDAA CCn1cnc2c(N[C@H](C)C(OC)OC)ncnc21 408522724 CMBRZRYDBVHPSK-MRVPVSSYSA-N 265.317 1.266 0 50 CDAA Cc1cc(C)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)[nH]1 408051380 JSRQPWKGQXQUMN-MCIONIFRSA-N 292.379 1.634 0 50 CDAA Cc1occc1CNC(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1 630653820 FHJPUHKTZWNPMX-OLZOCXBDSA-N 292.335 1.284 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)Cc1n[nH]c2ccccc12 170043970 XTPXRYGOIXJBAK-ZDUSSCGKSA-N 287.319 1.571 0 50 CDAA CC(=O)c1csc(C(=O)NC2(CO)CCCC2)c1 170069945 CUKPXELLBXIFSD-UHFFFAOYSA-N 267.350 1.986 0 50 CDAA Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)C2 170593588 XZSQYYOQLOCGHJ-VZJVUDMVSA-N 272.348 1.623 0 50 CDAA CC[C@H](COc1ccccc1)NC(=O)C1(O)CCC1 170599007 FPTPTFABNSWTGX-GFCCVEGCSA-N 263.337 1.875 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@]1(O)CCSC1 189044896 UPDNJTPZNZZAIX-UHIISALHSA-N 287.425 1.422 0 50 CDAA O=C(NCCc1ccc(F)cc1)N1CC(CO)C1 190336010 OPKBNBWNKMXMTM-UHFFFAOYSA-N 252.289 1.002 0 50 CDAA CC(C)OCCCSCc1nc(N)nc(N)n1 190885385 LDVIEWGNTGKLPS-UHFFFAOYSA-N 257.363 1.084 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)c2cc(C)nn2C)C1(C)C 191703405 NCFQOSARFGQBLT-DOMZBBRYSA-N 295.383 1.024 0 50 CDAA CCS(=O)(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 193620061 ZBLXYMVJGMBWOK-UHFFFAOYSA-N 294.336 1.847 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2nncn2C)c1 563796863 SXKUASLPMHUDGR-JSGCOSHPSA-N 288.351 1.132 0 50 CDAA COCCNc1nnc(SCc2cccc(N)n2)s1 194515883 KCMYIITYBJUCTR-UHFFFAOYSA-N 297.409 1.866 0 50 CDAA COCc1ccccc1C(=O)N1C[C@@H]2CNC[C@@H]2C1 195228803 NPSILPYGBLRBRP-BETUJISGSA-N 260.337 1.124 0 50 CDAA CS[C@@H](C)Cc1nc(-c2nc(=N)cc[nH]2)no1 585085415 LBACGFIUYRMYAD-LURJTMIESA-N 251.315 1.233 0 50 CDAA COC(=O)C1(Cn2ccc3cccnc3c2=O)CC1 585123026 QWCKOHTYCGOUHF-UHFFFAOYSA-N 258.277 1.350 0 50 CDAA C[C@@H](Cc1cnccn1)NCc1nncn1-c1ccccc1 585116954 NIAQUGOTZBVQJJ-ZDUSSCGKSA-N 294.362 1.778 0 50 CDAA CCCCCOCC(=O)NCC[S@](C)(=O)=NC 585127552 DCDXRZGSQKBOSC-KRWDZBQOSA-N 264.391 1.037 0 50 CDAA COc1nsc(OC)c1[C@H](C)NC[C@H](C)CCO 1615587711 QIMXQYVFRUGXHW-BDAKNGLRSA-N 274.386 1.829 0 50 CDAA Cn1c(=O)[nH]c(=O)c2[nH]c(-c3ccccc3Cl)nc21 614685 QCWNYSXMBORCAM-UHFFFAOYSA-N 276.683 1.270 0 50 CDAA CN(CC[C@@H]1CCCCO1)c1ccc(C(N)=O)cn1 1506399295 LTHDBSHDXBXQNT-LBPRGKRZSA-N 263.341 1.576 0 50 CDAA CC(C)Sc1nnc(NC(=O)[C@H]2CCCNC2)s1 1506421444 PQZCATVBZPCDMT-QMMMGPOBSA-N 286.426 1.977 0 50 CDAA O=C1NCCC[C@]12CCN(Cc1cncn1C1CC1)C2 219568833 BAIVRPWQNXUQPD-OAHLLOKOSA-N 274.368 1.320 0 50 CDAA O=C(O)C[C@@H]1CC2(CCC2)CN1C(=O)c1cnsn1 1857532746 OTCAEEPPTLVVGI-MRVPVSSYSA-N 281.337 1.398 0 50 CDAA Cc1nonc1C(=O)N[C@H]1CCCCCC[C@@H]1O 1857668370 SWFCWRBFUFCJMO-UWVGGRQHSA-N 253.302 1.192 0 50 CDAA Cc1nc(C2CCN(c3n[nH]c(=N)s3)CC2)no1 1857675907 HIENTMUCVNYTTQ-UHFFFAOYSA-N 266.330 1.026 0 50 CDAA O=C1CCCN1C[C@@H](O)CN1CCC[C@@H]1c1cccs1 111682100 CSEQHERRWPUWGN-QWHCGFSZSA-N 294.420 1.868 0 50 CDAA CCOC(=O)c1nc2ccc(Br)cn2n1 203743968 YUZDMLVJWWDRAQ-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA in-vitro CCS(=O)(=O)Nc1cc(C2CCCC2)nn1C 130577795 QGFHGHWYESQLRB-UHFFFAOYSA-N 257.359 1.839 0 50 CDAA C[C@H](C(=O)NCc1ccccc1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800414618 VIRVVVRHEGOIDJ-OJLVUWQFSA-N 288.391 1.394 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)CCn1cc(Cl)cn1 262140220 PLNBSOWSZKUHQZ-VIFPVBQESA-N 271.704 1.002 0 50 CDAA Cn1ccnc1SCC(=O)N1CCC[C@@H](C2(O)CC2)C1 1772818856 MDNASSSIMPFUMN-LLVKDONJSA-N 295.408 1.276 0 50 CDAA NC(=O)C1(C(=O)N2CCO[C@H](CC3CCCCC3)C2)CC1 12597091 HBWKEZWCLYQSNL-CYBMUJFWSA-N 294.395 1.450 0 50 CDAA CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 13583155 ZEKSXZSDOPYZHH-NSHDSACASA-N 298.408 1.774 0 50 CDAA CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ncccn1 15686647 MNEFKGDCDCEZPV-CYBMUJFWSA-N 299.330 1.837 0 50 CDAA Cc1ccc(=NCCCNC(=O)CNc2cccnc2)[nH]c1 1857682283 UUTVSMBDRGMMKE-UHFFFAOYSA-N 299.378 1.237 0 50 CDAA COc1cc2oc(=O)cc(CC(=O)O)c2cc1OC 57586 UKBVNOUQXDVDDX-UHFFFAOYSA-N 264.233 1.437 0 50 CDAA in-vitro CO[C@@H]1CCCCC[C@@H]1NC(=O)N1CC[C@@H]([C@@H](C)O)C1 221800253 PWVLZYPDTUCPLU-YIYPIFLZSA-N 284.400 1.746 0 50 CDAA CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)O 2568083 RVXBTZJECMMZSB-MRVPVSSYSA-N 272.326 1.664 0 50 CDAA in-vitro O=C(NCc1cccnc1)C(=O)Nc1ccc(F)cc1 2903314 WPRSWQDYODCAFF-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)[C@@H]1CCCOC1 328630872 QJAXCYWXPWKZOD-CHWSQXEVSA-N 277.368 1.331 0 50 CDAA COc1ccc([C@H](C)N[C@@H](C)c2nnnn2C)cc1 252549743 RUEHCPWBYANJQF-UWVGGRQHSA-N 261.329 1.631 0 50 CDAA COC[C@H]1CN(Cc2nnc(C)n2C2CC2)CC(C)(C)O1 583616673 FCDUEFPHKHLDCH-CYBMUJFWSA-N 294.399 1.547 0 50 CDAA Cn1cncc1C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C 585123989 YMBBFXHUOZXZGG-OAHLLOKOSA-N 293.367 1.757 0 50 CDAA CCOC(=O)[C@H]1C(=O)CCN(Cc2ccccc2)C1=O 34745349 UHKZGSSYNVLIHY-ZDUSSCGKSA-N 275.304 1.167 0 50 CDAA in-vitro OCc1ccc(F)c(CN[C@H]2CCNC23CCC3)c1 903471493 JQLKPAMLSNXDFF-AWEZNQCLSA-N 264.344 1.692 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)C=C1CCC(C)CC1 818383176 MNTCLGDNOSVDRG-PVQCJRHBSA-N 294.395 1.616 0 50 CDAA C[C@H](C(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21)c1ccncc1 923192408 NWFWHOHJNSVKJQ-AHRFKUBPSA-N 274.320 1.411 0 50 CDAA COc1cc(C)nc(CN2CCC[C@H]2c2nc[nH]n2)c1 931141101 OSLPZHDNJFIMNX-ZDUSSCGKSA-N 273.340 1.854 0 50 CDAA CN(C)C[C@@H]1CCN(C(=O)Cc2cccc(C(=O)O)c2)C1 833689185 OTSIISUMLADGEL-ZDUSSCGKSA-N 290.363 1.337 0 50 CDAA CN(C)c1ncnc2c1ncn2Cc1nc2c(o1)CCCC2 871652171 YLUDHEINRYDWRU-UHFFFAOYSA-N 298.350 1.807 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)C1=C[S@](=O)CCC1 1875296678 ILJGKOOOYMRIKI-GOSISDBHSA-N 283.378 1.202 0 50 CDAA C[C@@H]1C[C@H]1NC(=O)N1CC[C@@](O)(Cc2cccc(F)c2)C1 1875257371 GMPVHPXUQRNMRZ-DJSGYFEHSA-N 292.354 1.923 0 50 CDAA CCOCc1cccc(S(=O)(=O)Nc2noc(C)n2)c1 1875280060 RZRYNLXPQNCZDN-UHFFFAOYSA-N 297.336 1.715 0 50 CDAA CCC(C)(C)c1nnc(N2CC(=O)N3CCC[C@@H]3C2)o1 1875294839 OSSCOFTVKJLSPL-SNVBAGLBSA-N 278.356 1.568 0 50 CDAA C[C@@H](N=c1cc[nH]c2ccccc12)[C@@H]1CN(C)CCN1C 1875275722 APIYSHHMMSAIEQ-DYVFJYSZSA-N 284.407 1.703 0 50 CDAA Cc1cccnc1[C@H]1CCN(C[C@H]2CNCCO2)C1 1875327188 TWVQILYGXAIKTM-UONOGXRCSA-N 261.369 1.168 0 50 CDAA CC(C)(C)OC(=O)N1CCc2c(cnnc2O)C1 1772717059 RVHAYVSGDUKSJL-UHFFFAOYSA-N 251.286 1.475 0 50 CDAA COCc1ccnc(NC(=O)N2C[C@@H](N)C3(CCC3)C2)c1 1775962416 JYHPNZMHXJDFKG-GFCCVEGCSA-N 290.367 1.573 0 50 CDAA Cc1nccc(NC(=O)N2CCN[C@@H](c3ccccc3)C2)n1 1775993718 ICEXIPOYZHLYBC-CQSZACIVSA-N 297.362 1.963 0 50 CDAA CC(C)(NS(=O)(=O)c1ccccc1)c1ncon1 1195327987 OVMMVMFPRFSEMI-UHFFFAOYSA-N 267.310 1.283 0 50 CDAA O=C(O)c1cnc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1 263505385 LWYGTWYABWEFSZ-XXILOJSOSA-N 275.308 1.544 0 50 CDAA O=C(O)c1cccc(CN2CCn3ncnc3C2)c1Cl 563892590 RKBBCVBGSCWVKR-UHFFFAOYSA-N 292.726 1.646 0 50 CDAA c1nc2n(n1)CCC[C@H]2Nc1nc(C2CC2)ns1 301552550 HORCUEOOODYIFX-MRVPVSSYSA-N 262.342 1.954 0 50 CDAA CCN(CC)C(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1 334679545 XUPSDXXSGQSHAX-QMMMGPOBSA-N 264.272 1.490 0 50 CDAA Cc1ccc(C)c(CN2CCN(C)S2(=O)=O)c1 334960323 YBOVSDNWUUGQOH-UHFFFAOYSA-N 254.355 1.296 0 50 CDAA CNC[C@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)C1 336514624 COMAGCDWFQPDDY-SNVBAGLBSA-N 258.325 1.244 0 50 CDAA C[C@H]1CC(=O)NCCN1Cc1ccc2c[nH]nc2c1 367672834 SGEXCPIZPGSDDB-JTQLQIEISA-N 258.325 1.273 0 50 CDAA CCc1ccc(O)c(NC(=O)[C@@H](O)[C@@H]2CCCCN2)c1 2325801163 ZEOJYUKBTIPNDF-FZMZJTMJSA-N 278.352 1.396 0 50 CDAA CC(=O)[C@H](C)CCCC[C@H](O)[C@H]1C[C@H](CO)OC1=O 2332925153 XFGZDPJDNPPLBV-JHEVNIALSA-N 272.341 1.057 0 50 CDAA COC(=O)[C@H]1CCCN1c1nc(OC)ncc1Cl 127166485 ZLOGNMAZGJTEFD-MRVPVSSYSA-N 271.704 1.280 0 50 CDAA Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1 190408 LVMHSKRLHFIIMO-UHFFFAOYSA-N 276.361 1.911 0 50 CDAA CC(=O)Nc1ccc(NC(=O)c2ccnn2C)cc1 192501 YEDBGJGVFOBORP-UHFFFAOYSA-N 258.281 1.631 0 50 CDAA CC(=O)Nc1ccc(NC(=O)CCC(=O)O)cc1C 473786 FTCUASJDLHNRCM-UHFFFAOYSA-N 264.281 1.757 0 50 CDAA CCCN1Cc2nnc(-c3ccn(CC)n3)n2[C@H](C)C1=O 2356159901 UZZLETHYEOOCID-SNVBAGLBSA-N 288.355 1.475 0 50 CDAA CC(C)ONC(=O)Cn1c(=O)sc2ccccc21 2870820 VZKVRPWIQXMHSK-UHFFFAOYSA-N 266.322 1.519 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1C(=O)c1ccc(C)cc1 4253074 JVZUDLORHQXHAK-GFCCVEGCSA-N 288.303 1.306 0 50 CDAA O=C(CCCc1ccccc1)Nc1c[nH]c(=O)[nH]c1=O 6746456 YKUFCXHYTKUWNE-UHFFFAOYSA-N 273.292 1.025 0 50 CDAA CCc1cnc([C@@H](C)NC(=O)[C@H]2CCNC2)s1 135286350 POULXGOVLDMYEP-BDAKNGLRSA-N 253.371 1.492 0 50 CDAA CCc1ccc(OC)c(S(=O)(=O)NC(C)C)c1 8715014 FNKMKWWXDGUUOK-UHFFFAOYSA-N 257.355 1.944 0 50 CDAA O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1cnn2cccnc12 412820362 RJYGYMGNTKIBLG-VHSXEESVSA-N 296.277 1.008 0 50 CDAA COCCN(CCc1cn[nH]c1)Cc1c(C)nn(C)c1C 459590170 ZATIJAMIERMHCB-UHFFFAOYSA-N 291.399 1.451 0 50 CDAA C[C@H](Cn1ccnc1)NC(=O)N[C@@H](CN)C1CCCCC1 416432559 KXXQGTHVBVSONR-OCCSQVGLSA-N 293.415 1.478 0 50 CDAA CC1(C)C[C@H](N[C@H](C(N)=O)c2ccc(F)cc2)CO1 417988854 IACRJFDQKDRBDT-RYUDHWBXSA-N 266.316 1.509 0 50 CDAA Cc1nc2ccc(C(=O)N[C@@H]3CCCNC3=O)cc2nc1C 69332413 UYKJOPWLEHQKHP-CYBMUJFWSA-N 298.346 1.255 0 50 CDAA Cc1nc2ccc(Br)cc2c(=O)n1N 21953429 WVFFEYPEJIRJEQ-UHFFFAOYSA-N 254.087 1.181 0 50 CDAA COc1ccc(Br)c(S(N)(=O)=O)c1 67799995 IOTSKPOLDPSFBV-UHFFFAOYSA-N 266.116 1.105 0 50 CDAA Nc1nc(N)c2nc(S[C@@H]3CCCCCC3=O)[nH]c2n1 1363762521 QTHOHKCTFCMJHF-SSDOTTSWSA-N 292.368 1.511 0 50 CDAA Cc1ccsc1CN(C)c1cc(NCCO)nc(N)n1 65427085 VPOFYKZBTQIHCQ-UHFFFAOYSA-N 293.396 1.469 0 50 CDAA CC(=O)N1CCN(Cc2nc3ccc(C)c(C)c3[nH]2)CC1 67459567 FFJQHUPUTOVQAM-UHFFFAOYSA-N 286.379 1.844 0 50 CDAA Cc1occc1-c1noc(-c2coc(C(N)=O)c2)n1 350467382 QRHLLUXURXBBKM-UHFFFAOYSA-N 259.221 1.997 0 50 CDAA CC(C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 30063892 ZLZNAHRHWIJGLE-UHFFFAOYSA-N 296.392 1.482 0 50 CDAA Cc1nc(CNC(=O)[C@]2(C)CCCO2)sc1C 122079616 CSMWRHXHYGKSSI-LBPRGKRZSA-N 254.355 1.945 0 50 CDAA Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@@H]1CCCO1 143485729 RUFNQTNDUNBFJR-JTQLQIEISA-N 287.310 1.733 0 50 CDAA CC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1C 252508130 XDOXVIQHWOWDOH-UHFFFAOYSA-N 272.308 1.255 0 50 CDAA O[C@H](COC1CCCCC1)Cn1ccnc1-c1ncc[nH]1 72411884 QCQVHQNYBCMRHP-LBPRGKRZSA-N 290.367 1.983 0 50 CDAA CCS(=O)(=O)C[C@H](C)NC1CCN(C(C)C)CC1 121067524 IQCDTMJKXVMABC-LBPRGKRZSA-N 276.446 1.272 0 50 CDAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1cccc(OC)c1 54253697 KUZZPQMWTUSZAM-CYBMUJFWSA-N 292.335 1.271 0 50 CDAA O[C@H](COCc1ccccc1Cl)Cn1ccnn1 328595999 MXWZMZLGPKMKRP-NSHDSACASA-N 267.716 1.509 0 50 CDAA CC(C)CO[C@H](C)c1noc([C@H]2CC[C@H](CN)O2)n1 328606530 RXYLQFYCBYCWFM-GMTAPVOTSA-N 269.345 1.982 0 50 CDAA COc1ccc(F)c(F)c1C(=O)N1CCN2CCC[C@H]2C1 215722684 JIZCPBMYZDQZCM-JTQLQIEISA-N 296.317 1.894 0 50 CDAA CC(C)c1cccc(C(=O)N2CC(N3CCNC3=O)C2)n1 335487084 VSIVKNDXHCRIQY-UHFFFAOYSA-N 288.351 1.055 0 50 CDAA COC(=O)CNC(=O)Cn1cc(C(C)=O)c2ccccc21 32091661 MVRSPZAYFOQBMA-UHFFFAOYSA-N 288.303 1.133 0 50 CDAA COC(=O)[C@H](CC(C)C)NC(=O)c1cncc(F)c1 124811203 QCIHRXPXTMJHSQ-NSHDSACASA-N 268.288 1.538 0 50 CDAA O=C(NCc1ccc(F)c(F)c1)N1C[C@H](F)C[C@@H]1CO 335843440 CRPUZCOKDFYYDY-NXEZZACHSA-N 288.269 1.579 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(Cc3ccccc3F)n2C1 260313588 LEQGIRFEBFNQOD-LLVKDONJSA-N 289.310 1.743 0 50 CDAA Cc1ncc2n1CC[C@@H](C(=O)N(C)CC1(O)CCC1)C2 336014012 OJKTXGLANCRPDP-GFCCVEGCSA-N 277.368 1.127 0 50 CDAA C[C@@H](O)c1cn(C2CN(Cc3ccc4c[nH]nc4c3)C2)nn1 374826398 LLTQJAADJJODKI-SNVBAGLBSA-N 298.350 1.265 0 50 CDAA Cc1cnc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)[nH]1 216495510 JNQLQWQPEDIGHO-UHFFFAOYSA-N 293.392 1.754 0 50 CDAA COc1ccc(C(=O)N(C)Cc2nnc(C)o2)o1 215978169 WRMYCKIUAFNSTD-UHFFFAOYSA-N 251.242 1.252 0 50 CDAA C[C@H](N)CC(=O)N1CCc2c(cnn2-c2ccccc2)C1 261867863 QILHLYHIUPMGPD-LBPRGKRZSA-N 284.363 1.494 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CDAA COCCc1noc(CN(C)C(=O)C[C@@H]2CCCOC2)n1 952972978 WYOWJGBEQVKHPZ-NSHDSACASA-N 297.355 1.034 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)nc(C)c1 1565517100 WYGAQVWGMSYHAX-KBPBESRZSA-N 278.352 1.622 0 50 CDAA CC[C@@H](C)[C@H](C(=O)Nc1ccc(Cl)cn1)n1cnnn1 1565520627 YUYBKVLZDLDDJU-LDYMZIIASA-N 294.746 1.947 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NC1(c2cccc(F)c2)CC1 268941713 JYAXTOXAQHXGML-QWRGUYRKSA-N 263.268 1.652 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)c1cccc(N2CCCC2=O)c1 268968943 FTAOGHIXCHOOJG-SNVBAGLBSA-N 290.319 1.359 0 50 CDAA CCCC(=O)NCC1(CNC(=O)CCC)CCOCC1 408516588 HUSOABYOQVXKNO-UHFFFAOYSA-N 284.400 1.616 0 50 CDAA CCOC(=O)C1(C(=O)NCc2nccs2)CCCC1 514674783 HDGPQXLEQQARLF-UHFFFAOYSA-N 282.365 1.883 0 50 CDAA C[S@@](=O)Cc1cccc(NC(=O)C2(C(=O)O)CCC2)c1 514940530 XCCZPABHJCXPFW-HXUWFJFHSA-N 295.360 1.759 0 50 CDAA O=C1[C@H]2CCCCN2C(=O)N1C1CCC2(CC1)OCCO2 170592467 OWFFFULXDCSPBO-GFCCVEGCSA-N 294.351 1.489 0 50 CDAA NC(=O)c1noc([C@H]2CCCN2CC2CCCCC2)n1 170602095 OAGALYLDMAGAGM-LLVKDONJSA-N 278.356 1.886 0 50 CDAA COC(C)(C)c1nc(CC(=O)NC2CCCC2)no1 170608366 NYZCGQOKJLCHSO-UHFFFAOYSA-N 267.329 1.552 0 50 CDAA Cc1cccc(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)c1 720626922 GNMMGYDFKAATAX-LLVKDONJSA-N 257.297 1.138 0 50 CDAA CN1C[C@@H](C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)CC1=O 188693236 KODROXVCORLBOO-MDZLAQPJSA-N 282.384 1.032 0 50 CDAA O=C(c1cc(Cl)ccc1F)N1CC[C@H](CO)[C@H](O)C1 191987906 ISTKFRSNFAEJTL-PRHODGIISA-N 287.718 1.294 0 50 CDAA CC[C@](NS(C)(=O)=O)(C(=O)O)c1ccc(Cl)cc1 646042226 YZPJYNJZVGCWIL-LLVKDONJSA-N 291.756 1.579 0 50 CDAA Cc1cncc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2C)c1 649331969 KVWQFODLKCTCMH-CABCVRRESA-N 299.378 1.374 0 50 CDAA Cc1[nH]nc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1O 584908197 KKBYJRLZHZRZAY-ZETCQYMHSA-N 277.246 1.838 0 50 CDAA CCn1[nH]c(C)nc1=NC(=O)N[C@H]1CC12CCCCC2 585119426 HMLPFQQJNVTSEM-NSHDSACASA-N 277.372 1.873 0 50 CDAA O=C(C[C@@H]1CCCN1)Nc1ccc2c(=O)[nH]ccc2c1 662635584 MJNDMWQOBIHSMU-NSHDSACASA-N 271.320 1.609 0 50 CDAA COc1cc(CN[C@@H](C)c2nncn2C)ccc1F 952967846 DSBPNTKUDMAKAO-VIFPVBQESA-N 264.304 1.814 0 50 CDAA O=C1N[C@@H]2CCC[C@@H]2C(=O)N1CCc1ccccn1 1615549181 PQBJONXBOPFBGX-NWDGAFQWSA-N 259.309 1.345 0 50 CDAA Cc1nc(O)cc(CN(C)CCN(C)C2CCCC2)n1 1529186357 XOYBIEHEVNXUNQ-UHFFFAOYSA-N 278.400 1.797 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)CCCn1cncn1 1529106410 OGGMRORMAFLELI-UHFFFAOYSA-N 276.344 1.301 0 50 CDAA CC(=O)N[C@H]1CN(c2cnccn2)C[C@@H]1c1ccc(C)o1 219834866 RVFJQDYQQNXPGD-STQMWFEESA-N 286.335 1.487 0 50 CDAA CN(C)c1ccnc(C(=O)N[C@H]2CCNC2(C)C)c1 423716548 ACRQENOECCBHBV-LBPRGKRZSA-N 262.357 1.018 0 50 CDAA COc1cc(C)nc(N2CCC[C@](F)(CO)C2)n1 367794266 RMPKDYSOYNCKKN-GFCCVEGCSA-N 255.293 1.094 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)[C@@H]1C(=O)O 235369252 RIAWKBOUZWNOPG-MXWKQRLJSA-N 255.314 1.125 0 50 CDAA CC[C@]12C[C@@H]1CN(C(=O)c1nnc3n1CCCCC3)C2 1772804372 NMKSYDRPXCXSTB-IAQYHMDHSA-N 274.368 1.877 0 50 CDAA O=C(O)CSc1nnnn1-c1ccc(F)c(Cl)c1 5050206 MCRRWHROXYLHST-UHFFFAOYSA-N 288.691 1.632 0 50 CDAA CCOc1ccc(NC2=NC(=O)[C@@H](CC(=O)O)S2)cc1 5931101 HVUTXCOAMAOSPL-SNVBAGLBSA-N 294.332 1.970 0 50 CDAA O=C(NCc1cccnc1)C(=O)Nc1ccccc1O 13228291 WMSBPSNPVMQGCG-UHFFFAOYSA-N 271.276 1.042 0 50 CDAA Cc1sc2ncc(C(=O)NC(C)C)c(=O)n2c1C 16649480 QATSKGFIOSLIDW-UHFFFAOYSA-N 265.338 1.511 0 50 CDAA O=C(CN1CCC2(CC1)OCCO2)Nc1ccccc1 6741465 MGLRENGLZRYILN-UHFFFAOYSA-N 276.336 1.464 0 50 CDAA CN1CCN([C@H](CN)c2cccc(Cl)c2)CC1 19257558 OVCNUPZAXKIGQJ-CYBMUJFWSA-N 253.777 1.587 0 50 CDAA C[C@@H]1CC(C)(C)NCCN[C@H](C)CC(C)(C)NCCN1 19939484 XHCNINMOALIGKM-ZIAGYGMSSA-N 284.492 1.473 0 50 CDAA Cc1nc2c(c(=O)n1C)CN(C(=O)Cc1ccsc1)C2 1857704555 XFJQGFJWPKVHHS-UHFFFAOYSA-N 289.360 1.235 0 50 CDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CCO)CC2 1857707554 CCAALLPDLTVLLT-UHFFFAOYSA-N 299.374 1.397 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2cccc3cnccc23)CCN1 391114 QGSCXAWTTISKLF-NSHDSACASA-N 291.376 1.217 0 50 CDAA in-vitro CCn1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)cn1 408469756 PMJWRHUEZQDMIL-LBPRGKRZSA-N 288.355 1.697 0 50 CDAA CC[C@H](COC)N[C@@H]1CCCN(c2nccnc2O)C1 328635070 NDIJZEPUUMOFSZ-VXGBXAGGSA-N 280.372 1.166 0 50 CDAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@@H]2c2ccco2)n1 124322910 RRPHTZVGOYLLOT-JGVFFNPUSA-N 292.316 1.854 0 50 CDAA Cc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 337160100 SKIGCEWVAQZWSH-OAGGEKHMSA-N 289.375 1.997 0 50 CDAA CC1=C(C(N)=O)[C@@H](c2cccs2)n2ncnc2N1 13125232 QMQVRIOQIQCMSF-SECBINFHSA-N 261.310 1.114 0 50 CDAA C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@@H](C)C(=O)O 133068477 XVDQADRMVGUWEZ-MNOVXSKESA-N 287.319 1.711 0 50 CDAA O=S(=O)(Cc1cccc(F)c1)N1CCN2CCC[C@H]2C1 247476560 IHSFGFDMRXPLQO-AWEZNQCLSA-N 298.383 1.436 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2ccc(-c3nnc(C)[nH]3)cc2)C1 134044155 NWBPQSDORDLAHV-CQSZACIVSA-N 299.378 1.604 0 50 CDAA Cc1ncccc1CN1CCC[C@@H](CC(N)=O)CC1 671469844 UCYJWFTUOPKDAN-CYBMUJFWSA-N 261.369 1.868 0 50 CDAA COC(=O)c1ccc(NC(=O)[C@@H]2CCCNC2)c(F)c1 253430969 GGOBECMPEMVUNQ-SNVBAGLBSA-N 280.299 1.550 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1C[C@H]1C(=O)O 581919702 QXJGBXSSEBQMBL-DTWKUNHWSA-N 273.292 1.242 0 50 CDAA Cc1nnc2n1C[C@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)CC2 585123196 MPALWFUWACZIAY-QQUHWDOBSA-N 260.385 1.926 0 50 CDAA COc1ccc(O)c(C(=O)NC[C@@H](C)C(=O)OC(C)C)c1 266577935 UIRVTZNYZDMXAI-SNVBAGLBSA-N 295.335 1.718 0 50 CDAA Cc1c(O)cccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704312779 ZGOWYOROBARIDF-STQMWFEESA-N 290.363 1.103 0 50 CDAA Cc1conc1CN1CCC[C@@H]1C(=O)NC(C)(C)C 932435695 JGCUNIARWZJQLQ-GFCCVEGCSA-N 265.357 1.862 0 50 CDAA C=CC(=O)N1CCC(c2nnc3n2CCCC3)CC1 863971008 AOTDPRCWBFQJGR-UHFFFAOYSA-N 260.341 1.506 0 50 CDAA CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](CC1CC1)C(=O)O 952886777 LTEXJGFBYRMOGW-MXWKQRLJSA-N 255.314 1.171 0 50 CDAA Cc1cc(NC(=O)COc2ccc3c(n2)CCC3)n(C)n1 952993550 YXAWNEMHJSNROY-UHFFFAOYSA-N 286.335 1.630 0 50 CDAA CC(C)(O)[C@@H](O)CN1CCO[C@@H](c2cccc(F)c2)C1 1875276465 MPNVXAJJNJFRHX-KGLIPLIRSA-N 283.343 1.331 0 50 CDAA Cc1cc(CNS(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)n[nH]1 1875362462 GLXBSZFNFFZKLE-KGLIPLIRSA-N 291.376 1.694 0 50 CDAA Cc1ccccc1NC(=O)N1CCN[C@@H](c2cn[nH]c2)C1 1875321145 WDOGAVOZIWCOKU-CQSZACIVSA-N 285.351 1.897 0 50 CDAA CC[C@H](C)N1CCN(C(=O)/C=C/CN2CCCC2)CC1 1875338415 XIDBTNHDFNSRBD-LFAOLKIESA-N 279.428 1.581 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)N[C@H]1C[C@H]2C[C@@H](O)[C@@H]1C2 1875307196 WWPJEKLKABPVBC-QRYDPKPESA-N 294.380 1.118 0 50 CDAA NC[C@@H]1CCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 1875312510 NEAJZNGYQVOKMH-LBPRGKRZSA-N 290.411 1.418 0 50 CDAA O=C(CCc1cccc(O)n1)N1C[C@H]2[C@H](O)CCC[C@H]2C1 1875312010 GAKDSVJDMDVNOO-IACUBPJLSA-N 290.363 1.339 0 50 CDAA COC[C@@H]1COCCN1C(=O)c1ncn2ccc(C)cc12 886858453 AIRQDBYWHHIUFV-GFCCVEGCSA-N 289.335 1.130 0 50 CDAA C[C@@H](CNC(=O)NCC[S@](=O)C(F)(F)F)C1CC1 888097346 FZJKQFKYUFMNNL-VIIUKITBSA-N 286.319 1.600 0 50 CDAA Cc1cc(Br)cc(NCCn2cnnn2)n1 894370565 YJXSXFMYJGDEBK-UHFFFAOYSA-N 283.133 1.251 0 50 CDAA C[C@H](NC(=O)c1ccc(F)cc1O)c1cnn(C)c1 164075731 RLSVWQXUOWDGOW-QMMMGPOBSA-N 263.272 1.756 0 50 CDAA CCc1nnc(CN2C[C@@H](COC)OC(C)(C)C2)n1C 330537869 QSEFCZMDDKTHCL-NSHDSACASA-N 282.388 1.003 0 50 CDAA CN(C(=O)N[C@H]1CC2CCC1CC2)C1CCNCC1 335611516 AGBHEVSZSZKGEE-YIZWMMSDSA-N 265.401 1.959 0 50 CDAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)[C@H]1CCC(=O)NC1 335894699 XRNJJVHXHGKHNO-IUCAKERBSA-N 292.301 1.702 0 50 CDAA CCOC(=O)c1nc(-c2ccc(C)cc2)c[n+]([O-])c1N 331447 GVRGDHMLZHCXBE-UHFFFAOYSA-N 273.292 1.449 0 50 CDAA NC(=O)c1ccc(F)c(C(=O)NCCC2(O)CCCC2)c1 2325786829 HORSERGRHZULMZ-UHFFFAOYSA-N 294.326 1.350 0 50 CDAA C[C@H]1CC[C@@H]2CN=C(N[C@@H](C)c3ccn(C)n3)N2C1 2325806842 KHBQEKXVJALPPL-SDDRHHMPSA-N 261.373 1.541 0 50 CDAA Cc1nocc1NC(=O)N1CCCC[C@H]1[C@@H](C)O 952879525 JHWQZHPBRHDZEI-KOLCDFICSA-N 253.302 1.750 0 50 CDAA COc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)c(OC)c1 546122 BDIRAJHDCVWGIX-VIFPVBQESA-N 299.330 1.989 0 50 CDAA O=C(NC1CCCCC1)N1CCN(c2ncccn2)CC1 2883150 GYDHLYKRFVTSGV-UHFFFAOYSA-N 289.383 1.641 0 50 CDAA O=c1c2ccccc2nnn1Cc1ccccc1F 3617955 OBLNEDDQJWJJSV-UHFFFAOYSA-N 255.252 1.979 0 50 CDAA O=Cc1c(-c2ccc3c(c2)OCCO3)nc2ncccn12 4237907 SJLWLOMBJRUWPJ-UHFFFAOYSA-N 281.271 1.980 0 50 CDAA O=C(NCCc1ccccc1)c1cnc2sccn2c1=O 6495891 JCPIGGMDKYYJBA-UHFFFAOYSA-N 299.355 1.729 0 50 CDAA CC(C)CNC(=O)c1cccc(NS(C)(=O)=O)c1 10315082 QUUBUMBHORULTQ-UHFFFAOYSA-N 270.354 1.444 0 50 CDAA Cc1ncc(C(=O)N2CCCC[C@@H]2[C@H](C)N)s1 226194380 UPUDLUZHBSBYLH-WCBMZHEXSA-N 253.371 1.793 0 50 CDAA CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N1O[C@]13C2(Cl)Cl 100638780 HAMBQYFZDBYWHU-GLRIAUFLSA-N 298.191 1.883 0 50 CDAA in-vitro Cc1cc2cccc(C(=O)NC[C@H]3CCC(=O)N3)c2o1 20203373 BUUCFZWFXDJLMG-LLVKDONJSA-N 272.304 1.750 0 50 CDAA C[C@H](NC(=O)c1cc(N2CCOCC2)ccn1)C1CCC1 133038770 KSSPBTRKHKUUGP-LBPRGKRZSA-N 289.379 1.837 0 50 CDAA COc1ccccc1OC[C@@H](O)CNC(C)(C)C 3650388 MFUFKDHTQHYPJS-NSHDSACASA-N 253.342 1.823 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]2C)C1 246207896 WJUQWECSDFDYHF-TVQXOTEMSA-N 278.396 1.842 0 50 CDAA CC(C)Cc1nc(CS(C)(=O)=O)n(-c2ccccn2)n1 65455270 CEBARRMPXIWKDF-UHFFFAOYSA-N 294.380 1.405 0 50 CDAA Cn1cc(C(=O)NC[C@@H]2COc3ccccc3C2)cn1 28074065 TXWMGCFZWXPAMN-LLVKDONJSA-N 271.320 1.401 0 50 CDAA CC(=O)NCC1=CCCN(CCN2C[C@H]3CC[C@@H]2C3)C1 65385617 DZVWEFLMSNUKJA-GOEBONIOSA-N 277.412 1.239 0 50 CDAA Cn1nc2c(cc1=O)CN(C(=O)c1cccc(F)c1)CC2 174451639 SUNMCYVNCDZLPP-UHFFFAOYSA-N 287.294 1.118 0 50 CDAA Cc1ccc([C@H](C(=O)NCCc2cnccn2)N(C)C)cc1 65407436 ZCOBLPWDVLFCBC-MRXNPFEDSA-N 298.390 1.747 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N[C@H](CCO)c2ccccc2)O1 252511835 LCLWCGNSFDIGKP-BNOWGMLFSA-N 263.337 1.794 0 50 CDAA Cc1cc2c(cc1C)N(CCCS(N)(=O)=O)CC2 253417443 OIBLJIMHJPVRGD-UHFFFAOYSA-N 268.382 1.345 0 50 CDAA Cc1c(CCNC(=O)c2cccnc2S)cnn1C 151888440 FPYWKZMFDXTRRO-UHFFFAOYSA-N 276.365 1.385 0 50 CDAA CC1(C)Cc2cccc(CN3CCOC[C@@H](CO)C3)c2O1 77555995 GXYWFZPQIRLKAS-CYBMUJFWSA-N 291.391 1.841 0 50 CDAA Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nc2c(F)cccc21 336152883 IAZZWBDKVNWENK-HNNXBMFYSA-N 288.326 1.429 0 50 CDAA Fc1ccc(N2CCN(CCc3ccncc3)CC2)nc1 367628899 AITHTFLFPLUHSU-UHFFFAOYSA-N 286.354 1.980 0 50 CDAA c1ccc(-c2nnn(Cc3nnc4ccccn34)n2)cc1 32586986 PKFUFLQAVVWEGV-UHFFFAOYSA-N 277.291 1.431 0 50 CDAA c1c[nH]c([C@H]2CCCN2Cc2cnc3[nH]ccnc2-3)n1 367960444 ZMCLTVHCKSBANH-LLVKDONJSA-N 268.324 1.970 0 50 CDAA Cc1nc(CNC(=O)[C@H](O)c2ccccc2Cl)n[nH]1 215717006 YROWNJNJEOJYTB-LLVKDONJSA-N 280.715 1.116 0 50 CDAA COC(=O)[C@H]1CCc2nnc(Cc3ccsc3)n2C1 601045621 XLFQTECEPRACQC-JTQLQIEISA-N 277.349 1.666 0 50 CDAA CN(C)C[C@@]1(O)CCCN(Cc2ccc(CCN)cc2)C1 72481051 MXDONCQUSGRAHX-KRWDZBQOSA-N 291.439 1.076 0 50 CDAA CCN1C[C@@H](NC(=O)c2cc(F)cc3nc[nH]c23)CC1=O 335572121 ZOZQXONDOMDYHI-VIFPVBQESA-N 290.298 1.053 0 50 CDAA C[C@H]1CC(=O)NCCN1CCc1ccc(F)c(F)c1 375843364 AVOILEZAUMSMMA-JTQLQIEISA-N 268.307 1.718 0 50 CDAA COCC[C@@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(=O)O 262307596 PAYXWMKPHXHKDT-CYBMUJFWSA-N 296.367 1.905 0 50 CDAA Cn1ccnc1[C@@H]1CCN(c2ncnc3c2cnn3C)C1 374347421 BZXUTYYGDAOZIH-SNVBAGLBSA-N 283.339 1.091 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CCC[C@H]2C(=O)O)cn1 236762484 IYCPNQFKMZIGPB-JTQLQIEISA-N 265.313 1.327 0 50 CDAA O=C(O)[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CCN1 71763888 PPMKWNWMROWAGN-MRXNPFEDSA-N 297.358 1.607 0 50 CDAA O=C([C@H](O)c1ccc(F)cc1)N1CC(c2ccncc2)C1 72130620 MLEZMOAKWIIKCI-OAHLLOKOSA-N 286.306 1.880 0 50 CDAA Cc1nc(CC(=O)N2CCO[C@H](C(F)(F)F)C2)cs1 72425546 UURWFVSOQRHPHY-VIFPVBQESA-N 294.298 1.784 0 50 CDAA Cn1ncnc1[C@H]1COCCN1C(=O)c1ccc(Cl)o1 284288489 ZEYXVVPMKVIWHZ-MRVPVSSYSA-N 296.714 1.275 0 50 CDAA CCOc1cc2c(cc1OCC(=O)O)NC(=O)CC2 40544635 MESZBXGUDFCBIX-UHFFFAOYSA-N 265.265 1.433 0 50 CDAA CCc1nnc(NC(=O)NCc2c(C)nn(C)c2C)s1 174469427 QZGZTOWLRRXCOE-UHFFFAOYSA-N 294.384 1.773 0 50 CDAA C/C=C(\C)CN1CCn2nc(CNC(C)=O)cc2C1 82128171 IEVWWOIPCXNHJF-NYYWCZLTSA-N 262.357 1.301 0 50 CDAA COCCN1CCN(Cc2cccc(C(=O)O)c2)C[C@@H]1C 263469802 LBWJWHZKUJWQKH-ZDUSSCGKSA-N 292.379 1.537 0 50 CDAA C[C@@H](Cn1cccn1)NC(=O)N(C)CC1(CO)CCC1 426406062 IJCBOBXOIULARA-LBPRGKRZSA-N 280.372 1.076 0 50 CDAA Cc1ncccc1CNC(=O)NCC1=CCOCC1 527979774 LPDOWIJXHLYYLJ-UHFFFAOYSA-N 261.325 1.536 0 50 CDAA COC[C@H]1CCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 222692101 NKZCRVWVTATIHV-AWEZNQCLSA-N 294.370 1.752 0 50 CDAA CCC[C@@H](NC(=O)c1cc(=O)cc(C)o1)c1nccn1C 223829447 ORNWQEVVTSWIFO-GFCCVEGCSA-N 289.335 1.953 0 50 CDAA Cc1cc(=O)c(C(=O)NCC2CCOCC2)c(C)[nH]1 426503177 LNXQOCFAGCZAFT-UHFFFAOYSA-N 264.325 1.148 0 50 CDAA Cc1cccnc1CCNC(=O)Cc1cccnc1 221343324 PLVIEGUGKVVALK-UHFFFAOYSA-N 255.321 1.686 0 50 CDAA O=C(c1ccnn1C(F)F)N1CCOCC12CC2 614557431 XMYANZWUAMZCGV-UHFFFAOYSA-N 257.240 1.283 0 50 CDAA CN(Cc1ncon1)C(=O)c1conc1-c1ccccc1 426739076 PHNWJSBESHPFRR-UHFFFAOYSA-N 284.275 1.997 0 50 CDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)C1CC=CC1 238099915 CIEKLXROWWFNPN-GFCCVEGCSA-N 267.325 1.435 0 50 CDAA NC[C@@H]1CCN(C(=O)CCOc2ccc(F)cc2)C1 178535328 MWBZQIVHFAYUHR-NSHDSACASA-N 266.316 1.402 0 50 CDAA CC[C@H](O)Cn1nc(C)nc1CSc1ncccn1 95515136 ZGDBGGYOCSAVSS-JTQLQIEISA-N 279.369 1.440 0 50 CDAA COCCN1C[C@@H](CNc2cc(C3CC3)ncn2)CC1=O 92099405 AUNLCWNDZAWFEV-LLVKDONJSA-N 290.367 1.261 0 50 CDAA Cc1nc(CN=c2cc([C@H]3CCOC3)nc[nH]2)cs1 426360467 UPBASHRVRRLPEX-JTQLQIEISA-N 276.365 1.779 0 50 CDAA Cc1cc(C)c(Cn2cncn2)cc1CN1CCCNCC1 426545215 VATOMLGKVUFXHV-UHFFFAOYSA-N 299.422 1.739 0 50 CDAA Cn1c(CN)nnc1SCc1cc(C2CC2)on1 426618596 YTQWRRWTOBAGHV-UHFFFAOYSA-N 265.342 1.432 0 50 CDAA CCN1C[C@@H](C(=O)NCc2cccc(SC)c2)CC1=O 91586281 OKQMCYPUYCBJER-LBPRGKRZSA-N 292.404 1.893 0 50 CDAA O=C(O)c1ccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)cc1 97572249 CDILIZOKKYNAPE-GJZGRUSLSA-N 290.363 1.026 0 50 CDAA Cc1cc(C(N)=O)ccc1NC(=O)N(C)[C@H]1CCN(C)C1 96165014 JOQZLLRTFZBAJS-LBPRGKRZSA-N 290.367 1.262 0 50 CDAA CCOC(=O)N1CCN(c2nnc(C3CC3)o2)CC1 91663955 AYHOVHXFWNKLAK-UHFFFAOYSA-N 266.301 1.226 0 50 CDAA CCc1nccn1CCC(=O)N1CCC[C@]2(CCOC2)C1 91382214 SYTMIONJESNPHE-INIZCTEOSA-N 291.395 1.865 0 50 CDAA CCCc1cc(NC(=O)[C@H]2CCCN(C(C)=O)C2)n(C)n1 179575877 JNEMZTXBWHBAQN-LBPRGKRZSA-N 292.383 1.570 0 50 CDAA CCc1nc(N)nc(NCc2cc(OC)ccn2)c1C 95384113 GWAFCPJUQIPBKL-UHFFFAOYSA-N 273.340 1.945 0 50 CDAA CC(C)c1cc(=NC[C@@H](CO)Cc2ccco2)[nH]cn1 521919637 UAVDAFGGTCRLMU-LBPRGKRZSA-N 275.352 1.878 0 50 CDAA O=C1COc2cccnc2N1Cc1nc(-c2ccco2)no1 95388130 ANEKZIKRUUAVPH-UHFFFAOYSA-N 298.258 1.650 0 50 CDAA CC(C)n1cc(CN2CC[C@H](N3CCN(C)CC3)C2)cn1 97594946 ARGFFVGVQRSCKQ-INIZCTEOSA-N 291.443 1.286 0 50 CDAA CCc1nc(CN2CC[C@@H](n3nc(C)cc3C)C2)no1 244893019 YTXAHWVNWIIIIV-GFCCVEGCSA-N 275.356 1.892 0 50 CDAA COc1ccc([C@H](NC(C)=O)[C@H]2C[C@@H](O)C2)cn1 244564030 CLIIREOTZRJJIB-LOWVWBTDSA-N 250.298 1.038 0 50 CDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCCO1 245739099 DQJMURWCZVAVAJ-RNJOBUHISA-N 281.352 1.498 0 50 CDAA CC[C@@]1(CO)CCCN1C(=O)c1ncoc1C1CC1 295055304 ZMLDQUCRNAYPCU-AWEZNQCLSA-N 264.325 1.929 0 50 CDAA COC(=O)Cn1cc(CSc2ccc(OC)cc2)nn1 295025413 RASYZSFJLOCPCF-UHFFFAOYSA-N 293.348 1.752 0 50 CDAA CNCCN(C)C(=O)[C@@H](C)n1ccnc1C(C)C 252478835 AVRZEYLQMAKOGD-LLVKDONJSA-N 252.362 1.245 0 50 CDAA O=C(NCCc1ccccc1O)N[C@@H]1CCCOCC1 181837194 PNKGIROMKBBJCB-CYBMUJFWSA-N 278.352 1.803 0 50 CDAA CCC[C@H]1CN(C(=O)[C@H](N)c2ccccc2)CCO1 182850694 VQVKFKIGNXCKNL-UONOGXRCSA-N 262.353 1.714 0 50 CDAA CC(C)=CCN1CCC([C@@H](O)C(=O)NC2CC2)CC1 299747789 FBHCEYGNPMUQAN-CQSZACIVSA-N 266.385 1.304 0 50 CDAA CC(=O)N1CCC[C@H](N=c2nc(-c3ccccc3)[nH]o2)C1 534662388 GTZAHBPPWBYKPW-ZDUSSCGKSA-N 286.335 1.581 0 50 CDAA Cc1ocnc1C(=O)N[C@H](c1nccn1C)C(C)C 534647311 MNSBAUGSHWHVGY-JTQLQIEISA-N 262.313 1.844 0 50 CDAA Cc1cnn(CC(=O)N(C)Cc2nc3ccccc3n2C)c1 358735499 IHCCOWGAXSWRAC-UHFFFAOYSA-N 297.362 1.737 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)Cc1cccs1 534642719 UEKPREJZCHVSNS-GHMZBOCLSA-N 264.350 1.227 0 50 CDAA O=C(NC[C@H]1CCCN(c2cnccn2)C1)c1ccco1 374543352 KVUKGGQEWOKCHA-GFCCVEGCSA-N 286.335 1.716 0 50 CDAA CCc1[nH]ncc1C(=O)NCCN1CCc2ccccc2C1 298861028 FPKMYMZEMRHGGT-UHFFFAOYSA-N 298.390 1.760 0 50 CDAA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 115130814 BHOJIKSQYLVZHD-RKDXNWHRSA-N 287.312 1.117 0 50 CDAA CC(C)CNC(=O)NCC1(C(F)(F)F)CCNCC1 725264681 GZARPFJFYBGCQA-UHFFFAOYSA-N 281.322 1.874 0 50 CDAA CCC1(CC)C[C@@H]1CNC(=O)CNC(=O)N(C)C 822677176 HCPDTSJLXWPUNU-SNVBAGLBSA-N 255.362 1.200 0 50 CDAA CC1(C)CC(NCCc2nc(N)cc(O)n2)CC(C)(C)N1 584888401 TWHLPHBMRSXOOD-UHFFFAOYSA-N 293.415 1.206 0 50 CDAA CC[C@@H](NC(=O)N1CC(O)C1)c1nc(C)c(C)s1 584901681 RWCYNPYGLHKOLB-SNVBAGLBSA-N 269.370 1.597 0 50 CDAA COCC1(CNC(=O)[C@@]2(C)CCN(C)C2)CCC1 824346702 BWQXQUOOWZMYJP-ZDUSSCGKSA-N 254.374 1.261 0 50 CDAA c1csc(Cc2n[nH]c(CCCn3cncn3)n2)c1 829078370 AFVYCJFVULRGMB-UHFFFAOYSA-N 274.353 1.681 0 50 CDAA N=c1[nH]c(CCNC(=O)CSc2ccccn2)cs1 584893018 UWESUNROUORMSH-UHFFFAOYSA-N 294.405 1.402 0 50 CDAA Cc1nc(N(C)C)nc(N2CCO[C@@H](C3CC3)C2)c1C 670456204 JTMUDDLOJRCQPJ-CYBMUJFWSA-N 276.384 1.775 0 50 CDAA COc1cccc2ccc(CN(C)[C@H](C)CC(N)=O)nc12 952976438 SDDVMTLAQUHDGY-LLVKDONJSA-N 287.363 1.939 0 50 CDAA O=C(CCC(=O)N1CC[C@H](O)C1)Nc1cccc(F)c1 885938941 ISJCSIAXWZLOQE-LBPRGKRZSA-N 280.299 1.138 0 50 CDAA Cc1n[nH]cc1CN(C)Cc1cnn2cccnc12 952973180 FWKRQGKXTBDBKZ-UHFFFAOYSA-N 256.313 1.393 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)Cc1cccs1 1565514381 UEKPREJZCHVSNS-QWRGUYRKSA-N 264.350 1.227 0 50 CDAA CC[C@H](C)S(=O)(=O)NC(=O)[C@H]1CCO[C@@H]1C(C)C 408485316 OSCNROZFPBWWRV-GARJFASQSA-N 277.386 1.292 0 50 CDAA CC(C)C[C@H](CN)CC(=O)O[C@@H](C)C(=O)N(C)C 408525611 ILYOJPGRQNOBPR-QWRGUYRKSA-N 258.362 1.017 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)COC(F)(F)F 1580404556 CMQPSPMFEMPKJR-MWLCHTKSSA-N 274.242 1.264 0 50 CDAA Cc1noc(C)c1NC(=O)N1CCCN(C)CC1 272394155 VPFFUAYJYVPVIP-UHFFFAOYSA-N 252.318 1.461 0 50 CDAA Cc1nn(CCC(=O)O)c(C)c1NC(=O)[C@@H](C)C1CC1 630332482 ZFVMNRKQBXEUGE-QMMMGPOBSA-N 279.340 1.959 0 50 CDAA CCn1nccc1CN[C@H]1CCCO[C@@H]1c1nccn1C 275354793 AILZBYLZHSLIAG-KBPBESRZSA-N 289.383 1.646 0 50 CDAA Cc1cc(C)n(CCCNC(=O)c2cn3ccccc3n2)n1 169968068 RWBVLJYCQYIWIH-UHFFFAOYSA-N 297.362 1.968 0 50 CDAA CCCOc1ccc(CNC(=O)c2nc(=O)[nH][nH]2)c(C)c1 170090095 JFKUVLUXUCUBOW-UHFFFAOYSA-N 290.323 1.125 0 50 CDAA CC(C)c1nnc(CN[C@@H](C)[C@H]2CCCO2)n1C 170077377 ZDGUHGQCRZSDEN-WDEREUQCSA-N 252.362 1.596 0 50 CDAA C[C@@H](O)CN(C)C(=O)NCc1ccc(OC(F)F)cc1 170591613 ORKDFEFSXZQWNW-SECBINFHSA-N 288.294 1.810 0 50 CDAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN[C@H](C)C3)cc2)n1 188451143 QGLIEWDDULKSNI-CYBMUJFWSA-N 298.390 1.923 0 50 CDAA O[C@H](CN1CCSC2(CCOCC2)C1)CC(F)(F)F 189989020 XUPVMLVRJWPQID-JTQLQIEISA-N 299.358 1.898 0 50 CDAA CCN1CC[C@@H](NC(=O)c2cc3c(F)cccc3[nH]2)C1=O 670170494 QBLIPPIJXOUGSH-GFCCVEGCSA-N 289.310 1.658 0 50 CDAA CCc1noc(C)c1NC(=O)N[C@@H](C)C(=O)N(C)C 192370843 KZTCSGMYHKKTPD-ZETCQYMHSA-N 268.317 1.144 0 50 CDAA CC[C@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)OC 192846055 IBMHWMPCSGMLSF-VIFPVBQESA-N 264.281 1.495 0 50 CDAA Cc1cc(C(=O)N[C@@H]2COc3ccccc3C2)n(C)n1 193469418 LGUGBRWJUQMMFD-LBPRGKRZSA-N 271.320 1.462 0 50 CDAA COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccn(C)n1 585086818 UWYJSGHBGODJHM-LLVKDONJSA-N 267.329 1.080 0 50 CDAA CC[C@H]1C(=O)NCCN1Cc1ccnc(Cl)c1F 585086713 VTXAVIXUKIFNOB-VIFPVBQESA-N 271.723 1.585 0 50 CDAA CN(C(=O)Cc1ccc2c(c1)CCO2)[C@H]1C[C@@H](C(=O)O)C1 659228053 XSCOWCRNNSYJIS-BETUJISGSA-N 289.331 1.486 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCCCO2)cc(O)n1 133463772 VXECYXLZPBTTER-LLVKDONJSA-N 250.298 1.395 0 50 CDAA OCCN(CC[C@H]1CCOC1)Cc1cccs1 1506419148 YMZKHSJCONWIGI-LBPRGKRZSA-N 255.383 1.969 0 50 CDAA NC[C@@H](C(=O)NCc1cccnc1O)C1CCCCCC1 1615548908 UJVFJMALXIEABD-CQSZACIVSA-N 291.395 1.949 0 50 CDAA CC1(C(=O)NCc2ccc3cncn3c2)CCOCC1 1615590839 PXRXKIITZVSWAO-UHFFFAOYSA-N 273.336 1.767 0 50 CDAA C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1COC(C)(C)O1 1616037204 HFIKRJSXAHMQJW-BSLXNSKLSA-N 277.364 1.774 0 50 CDAA O=C(Nc1cnc2[nH]ncc2c1)[C@@H]1NCC12CCCC2 1649169953 LYUQVQULLJSMBU-NSHDSACASA-N 271.324 1.429 0 50 CDAA CNc1ncccc1C(=O)N1CCNc2ncc(C)cc21 1650202969 CMWCEZWJWMAFSY-UHFFFAOYSA-N 283.335 1.899 0 50 CDAA O=C(NC[C@H](O)c1cnc[nH]1)[C@H]1C[C@@H]1C1CCCCC1 1875270141 WIOGRWUFUQXXME-DYEKYZERSA-N 277.368 1.776 0 50 CDAA CC(C)NS(=O)(=O)c1cccc2cccnc12 299584 VVJUJBRDRJKVDA-UHFFFAOYSA-N 250.323 1.922 0 50 CDAA CC(C)c1ccc(N(C)C[C@@H]2CCCN(CCO)C2)nn1 1506428449 QMORLYQKIGEVLC-AWEZNQCLSA-N 292.427 1.741 0 50 CDAA CC=CCS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1 1857528193 WDBNCOXBXKUMMD-JTQLQIEISA-N 259.371 1.425 0 50 CDAA CSCC[C@@H](O)C(=O)N(Cc1cnn(C)c1)C1CC1 222259424 HRDKMKMFKMRDSK-GFCCVEGCSA-N 283.397 1.025 0 50 CDAA O=C(NCC[C@H]1CCNC1)C1(c2ccccc2)CC1 110796282 DMEQNQUPXVJGDF-CYBMUJFWSA-N 258.365 1.834 0 50 CDAA COC(=O)CN(Cc1ccccc1)[C@@H](C)C(=O)OC 408512970 VZSNNFZHKZZTSV-NSHDSACASA-N 265.309 1.223 0 50 CDAA CNS(=O)(=O)CCn1ccnc1-c1sccc1C 1875248042 VVUJZYWSKWXKKD-UHFFFAOYSA-N 285.394 1.469 0 50 CDAA CC[C@H](C)[C@@H]1C(=O)N[C@@H](c2ccccc2)C(=O)N1C 224594857 BBPMMHGAJRELDN-WCFLWFBJSA-N 260.337 1.731 0 50 CDAA O=C(O)[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1c1ccc(F)cc1 213340294 RIOALQMULBXLPK-OLZOCXBDSA-N 289.310 1.849 0 50 CDAA COC[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 331478487 PGPOOIUHBWDVHD-STQMWFEESA-N 291.413 1.244 0 50 CDAA COc1nc(NC[C@@H]2COc3ccccc3O2)ncc1F 1704331128 OQTGOJSLBUAYNB-SECBINFHSA-N 291.282 1.876 0 50 CDAA O=C(O)c1ccc(N2CCC[C@]3(CCC[C@H]3O)C2)nn1 1704328544 KYRYKNBTMBEYBJ-BXUZGUMPSA-N 277.324 1.306 0 50 CDAA Cc1ccc(CC(=O)N(CCO)Cc2ncc[nH]2)cc1C 1704315994 IBQKRDZCMQUYRB-UHFFFAOYSA-N 287.363 1.590 0 50 CDAA COCC[C@@H]1COCCN1Cc1nccn1C(C)C 368244933 WYQYZQAWPUJGKA-CYBMUJFWSA-N 267.373 1.701 0 50 CDAA COc1nc(N(C)Cc2cc(C)on2)ncc1F 1772706172 YFEMHUDHKGXWCV-UHFFFAOYSA-N 252.249 1.557 0 50 CDAA O=C(O)c1nnn2cc(-c3ccsc3)nc(O)c12 1775972909 CBRAJFAXBCCWHE-UHFFFAOYSA-N 262.250 1.257 0 50 CDAA CN(C)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 169890618 UJFFHPGEDMPJPO-UHFFFAOYSA-N 293.342 1.702 0 50 CDAA O=C(c1ccc(Cl)o1)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669234 KSPCOTGNTKWMAZ-ISVAXAHUSA-N 299.710 1.496 0 50 CDAA CCC(=O)NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3 1857720395 RSAIMUOKQBBJNE-KLZNWCGWSA-N 292.423 1.935 0 50 CDAA CN(Cc1cccnc1)C(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 330523421 BBCJHWRNVOJQFW-ZDUSSCGKSA-N 289.379 1.687 0 50 CDAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1[nH]ccc1C1CC1 616765701 IAUZSVRVQRIWBD-OUCADQQQSA-N 286.335 1.193 0 50 CDAA COC1CC(C(=O)N[C@H](C(=O)O)c2ccc(F)c(C)c2)C1 630190459 QDQZMAKOPJFZRA-XIVSLSHWSA-N 295.310 1.801 0 50 CDAA Cc1ncccc1CNC(=O)N1CC[C@@H](c2nccn2C)C1 528257089 KLEVYYQSJSKDSM-CQSZACIVSA-N 299.378 1.823 0 50 CDAA COCc1nsc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1 328588375 DGBCOBNFMJIIQL-GWCFXTLKSA-N 299.396 1.459 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCC(N3CCCC3)CC2)C1 236445800 LTEZVFYAOPJLTG-OLZOCXBDSA-N 294.395 1.574 0 50 CDAA COCc1cc(CN2CCCN(C(=O)C3CC3)CC2)no1 239762520 CLVVIWULUKMMQU-UHFFFAOYSA-N 293.367 1.265 0 50 CDAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)Cc1cncnc1 663147535 LRGVVKFDCUVZNI-OAHLLOKOSA-N 297.314 1.230 0 50 CDAA CC(C)(C)O[C@H]1C[C@H](NC(=O)N2CC[C@H](CCO)C2)C1 667308260 JKLRYYKRGBDYON-JHJVBQTASA-N 284.400 1.746 0 50 CDAA O=C([C@@H]1CCCNC1)N1CCO[C@@H](c2ccccc2F)C1 157966050 DQUMTBWZYWVOMC-IUODEOHRSA-N 292.354 1.725 0 50 CDAA CCc1occc1C(=O)Nc1ccn(CC(=O)O)n1 262930294 BDYJFLOCSAGGER-UHFFFAOYSA-N 263.253 1.375 0 50 CDAA Oc1nc(O)c2ccc(-c3ccccc3O)nc2n1 587562038 ZYUUUQYKRZCOTG-UHFFFAOYSA-N 255.233 1.809 0 50 CDAA COc1cccc(Cn2cnnc2[S@](C)=O)c1Cl 594888678 UWEIPIAPNMMBRM-SFHVURJKSA-N 285.756 1.726 0 50 CDAA O=C(Nc1cnn2c1CCCC2)[C@H]1CC[C@@H](C(=O)O)C1 902338042 OADKPWKZOFEHGS-VHSXEESVSA-N 277.324 1.659 0 50 CDAA Cc1cnc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)cc1C 907947374 GNJBGRMMNDURSA-QNWHQSFQSA-N 288.347 1.928 0 50 CDAA Cc1ccc(C(=O)N2CCO[C@@H](C(=O)O)C2)c(Cl)c1C 821063891 HIHVCDLQBNDVFT-LLVKDONJSA-N 297.738 1.882 0 50 CDAA CN1C[C@H](NC(=O)Cc2ccc(F)cn2)Cc2ccccc21 824946266 XZIIQBXBPPNNAT-OAHLLOKOSA-N 299.349 1.941 0 50 CDAA C[C@H]1CN(C[C@H](O)COc2ccc3cc[nH]c3c2)CCO1 929110409 XNHUVPSVUDBDPY-JSGCOSHPSA-N 290.363 1.628 0 50 CDAA Cc1cnc(Cn2nc(C)c([C@H]3COCCN3C)c2C)o1 852962032 BCLAHFZKAXIONU-CYBMUJFWSA-N 290.367 1.848 0 50 CDAA CCCC1(O)CCN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC1 952845967 VCKBTSVYULNEIW-GFCCVEGCSA-N 291.395 1.983 0 50 CDAA OC[C@H]1CCC2(CCOCC2)CN1c1ncc(F)cn1 1875288090 NDPJXKMADKLBFM-GFCCVEGCSA-N 281.331 1.374 0 50 CDAA O=C1N[C@@H](c2ccccc2)C(=O)N[C@H]1CC(F)(F)F 1875278872 QYDCDJUFVVWTDA-IUCAKERBSA-N 272.226 1.295 0 50 CDAA O=C(NS(=O)(=O)c1ccc2ccccc2n1)C1CC1 1875344442 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Cn1ccnc1SCC(=O)N[C@@H]1CCN(C(C)(C)C)C1 584889012 ZCEMHLUTYBBCCY-LLVKDONJSA-N 296.440 1.501 0 50 CDAA CCNc1ncc(CN(C)C[C@H]2CCOC2)cn1 670469185 SMYLGBPJERVIJO-LLVKDONJSA-N 250.346 1.377 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cc[nH]n1 584892671 TXJNWIXNQGUNSQ-UHFFFAOYSA-N 261.329 1.454 0 50 CDAA Cc1csc2c(=O)n([C@H]3CCN(C)C3=O)cnc12 584902941 ZHBFJDSXUBVTJO-QMMMGPOBSA-N 263.322 1.170 0 50 CDAA OC[C@@H]1CCCN(CCCNc2nc[nH]c3nccc2-3)C1 670461565 MUNKBOWPMYYTNF-GFCCVEGCSA-N 289.383 1.416 0 50 CDAA Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](N)C(=O)O 685939175 RDRYANQNKSAMQY-LBPRGKRZSA-N 263.272 1.713 0 50 CDAA N[C@@H](c1nccs1)C1(O)CCC2(CC1)OCCO2 958527608 BBJPGQXSTSKLKA-VIFPVBQESA-N 270.354 1.191 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccccc1SC 1565530148 VCGUSTDLNZPVRN-RYUDHWBXSA-N 281.377 1.942 0 50 CDAA C[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CCCNC2=O)C1 408055052 WIACNVDNLLUJMN-GRYCIOLGSA-N 252.358 1.598 0 50 CDAA CO[C@@H]1CN([C@H](C)c2nnnn2C2CC2)CC[C@@H]1C 408350930 XHIJYLFJMFGZOW-HOSYDEDBSA-N 265.361 1.426 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 408474517 BKTDUYXMDNWRST-AAEUAGOBSA-N 293.367 1.514 0 50 CDAA O=C(NS(=O)(=O)Cc1cccnc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 408504562 VIGRAYVGSCFIIO-JHJVBQTASA-N 294.376 1.464 0 50 CDAA CN1C[C@H](N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCC1=O 245339037 QCSIWJPUYBPFBG-GBOPCIDUSA-N 278.396 1.545 0 50 CDAA C[C@H](Cc1ccccc1F)C(=O)N1CCOC[C@@H]1C(=O)O 268986446 QIDSMTXQPPTOLG-ZWNOBZJWSA-N 295.310 1.316 0 50 CDAA C[C@H](C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCC[C@@H]21)n1cccn1 630285076 YZROXMQTDPIFBU-VOAKCMCISA-N 291.351 1.546 0 50 CDAA O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)[C@H]1CCOC1 630327782 VGURTPUTECBFEW-WCFLWFBJSA-N 275.304 1.850 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(C)on1 275457097 WXKPYVZYURFAON-JQWIXIFHSA-N 290.323 1.459 0 50 CDAA CC(C)CNC(=O)COc1cccc(F)c1C(N)=O 170078765 HJBKVPPWLBDIAV-UHFFFAOYSA-N 268.288 1.076 0 50 CDAA CC[C@]1(C)CN(C(=O)N[C@@H]2CCO[C@@H]2C)CCO1 170604103 OZTJVHOLKRCWSG-NQBHXWOUSA-N 256.346 1.374 0 50 CDAA CS(=O)(=O)Nc1cc(Br)ccn1 170603080 LERTYYAQVQREDZ-UHFFFAOYSA-N 251.105 1.216 0 50 CDAA N=c1[nH]c(N2CC[C@@H](CN3CCCC3)C2)nc2ccccc12 549526570 CDMNFQFLRWHUGJ-ZDUSSCGKSA-N 297.406 1.964 0 50 CDAA COc1cc(CN(C)[C@H](C(=O)O)C2CC2)ccc1O 635016017 TWPYZUFATMUERQ-ZDUSSCGKSA-N 265.309 1.696 0 50 CDAA Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 192659394 SJCSTYKKMZIDDX-GWCFXTLKSA-N 283.755 1.464 0 50 CDAA COCc1ccc([C@H]2CCCN2c2nnnn2C)o1 564011960 YFIXLELPEPCNGG-SNVBAGLBSA-N 263.301 1.291 0 50 CDAA CN1C[C@@H](NC(=O)Cn2cccn2)CC[C@@H]1C(F)(F)F 583620012 JGDISYZMXFJTBO-VHSXEESVSA-N 290.289 1.024 0 50 CDAA Cc1nc([C@H](C)OC(=O)CN2CCCCCCC2=O)n[nH]1 585087247 AJPQZTJRXCAGOR-JTQLQIEISA-N 294.355 1.510 0 50 CDAA O=C(C[C@H]1C=CCC1)N[C@@H](Cc1ccncc1)C(=O)O 655600397 FQAFYQVKBQBXFM-AAEUAGOBSA-N 274.320 1.550 0 50 CDAA CCc1ccnc(C(=O)NCc2cccc(CO)n2)c1 568447119 CWUKCKFDZXXQEY-UHFFFAOYSA-N 271.320 1.461 0 50 CDAA Cc1nccc(N2CCCC[C@@H]2CS(C)(=O)=O)n1 568957282 PKVDQZXAASPUKI-LLVKDONJSA-N 269.370 1.189 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@H]2CCCC[C@H]21 659195583 QIWAKFCNJIDCBX-FQUUOJAGSA-N 295.379 1.905 0 50 CDAA O=C(O)c1cccc(C(=O)Nc2nnc3n2CCCC3)c1 571680189 MVYGCHCQAGYDBB-UHFFFAOYSA-N 286.291 1.565 0 50 CDAA COC(=O)c1nccc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1 591593365 DRPKEXPZZOJJIR-KOLCDFICSA-N 277.324 1.267 0 50 CDAA O=C(N1CCC(CCO)CC1)[C@@]12CCCC[C@@H]1NCC2 1615554958 WRPIVHHKXJHUDX-GOEBONIOSA-N 280.412 1.530 0 50 CDAA CCn1cc(CN(C)CC[C@@H]2COCCO2)cn1 1775983029 GVUVYWABWRWFHO-CYBMUJFWSA-N 253.346 1.140 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1cc2ccccc2oc1=O 295836 SACDNEBEKMMKFA-NSHDSACASA-N 273.288 1.702 0 50 CDAA CN(CCN(C)C1CCCC1)c1n[nH]c(=N)s1 1857678184 CWMHIROKXQJPMJ-UHFFFAOYSA-N 255.391 1.261 0 50 CDAA O=C(CCC(F)(F)F)N1C[C@@H]2CCOC[C@]2(CO)C1 1857686092 HMIGIEVTEHOUIN-GXSJLCMTSA-N 281.274 1.186 0 50 CDAA CCCn1nc(C)cc1NC(=O)CCN1CCN(C)CC1 1529125991 JHAFGEYQFWTBGQ-UHFFFAOYSA-N 293.415 1.178 0 50 CDAA O=S1(=O)CC[C@H](n2ccnc2-c2nccs2)C1 1875246892 GMTUKZYSHMWBDX-QMMMGPOBSA-N 269.351 1.366 0 50 CDAA CCNC1(C(N)=O)CCN(Cc2ccccc2)CC1 393551 LPPPBYXGXSHYQJ-UHFFFAOYSA-N 261.369 1.116 0 50 CDAA in-vitro COc1ccc(CCN[C@@H]2CCOC2)cc1OC 109429182 QJWFPNIJOOLWOO-GFCCVEGCSA-N 251.326 1.625 0 50 CDAA CC(C)c1[nH]ccc1C(=O)N1CC(O)(C(F)F)C1 335571038 XYGDLDNGGQSRLV-UHFFFAOYSA-N 258.268 1.590 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc3cc[nH]c13)C2 1704308476 RVIFQALNSDVGDK-JSGCOSHPSA-N 299.374 1.571 0 50 CDAA CCCc1cnc(C)nc1N1C[C@H]2CCCN2C(=O)[C@@H]1C 1772703054 BFQQXRVNZOHNHI-SMDDNHRTSA-N 288.395 1.937 0 50 CDAA CN(C)C[C@]12CNC[C@@H]1CN(c1ncc(Cl)cc1F)C2 1772712028 ZNICZYJSQIIOBV-YGRLFVJLSA-N 298.793 1.462 0 50 CDAA N[C@@H]1CS(=O)(=O)Cc2ccc(Br)cc21 12957344 PULIRAMXTGWLKW-SECBINFHSA-N 276.155 1.377 0 50 CDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1nc(-c2cccnc2)n[nH]1 16400970 PHGYRRPEQUQTCV-GHMZBOCLSA-N 295.302 1.322 0 50 CDAA O=C(Cc1ccccc1)N1CCC2(CC1)OCCO2 16580301 RBFLXLNHBGGHTI-UHFFFAOYSA-N 261.321 1.595 0 50 CDAA Cc1nc(SCC(N)=O)nc(O)c1Cc1ccccc1 18177291 WYFHFIHLAFPMLL-UHFFFAOYSA-N 289.360 1.659 0 50 CDAA Cc1cccn2cc(CNC(=O)CCN3CCCO3)nc12 19744903 CEEWEHMBACORKM-UHFFFAOYSA-N 288.351 1.286 0 50 CDAA Cn1nc2c(c1N)CN(C(=O)OC(C)(C)C)CC2 169482908 VFCHUPNQALDOKY-UHFFFAOYSA-N 252.318 1.296 0 50 CDAA Nc1cncc(N2CCC([C@H](O)c3ccccn3)CC2)n1 1857677778 CWLAEJKKDVEQFP-HNNXBMFYSA-N 285.351 1.404 0 50 CDAA O=C1C[C@H]2CN(C(=O)CCc3cccc(F)c3)C[C@H]2N1 1857683019 PETVMPQHEBBWEU-WCQYABFASA-N 276.311 1.105 0 50 CDAA O=C(NC[C@@H]1CCCNC1)c1ccn(CC(F)(F)F)n1 911706705 HEQKFZNLAHOYAS-SECBINFHSA-N 290.289 1.175 0 50 CDAA O=C(O)CN1CC[C@H](OCCCc2ccccc2)C1 225454563 MGRGXDURINRTFJ-AWEZNQCLSA-N 263.337 1.795 0 50 CDAA O=C(C[C@H]1CCOC1)N[C@H](C(=O)O)c1cc(F)ccc1F 739220742 CAMNBNAJWFZQJE-OQPBUACISA-N 299.273 1.633 0 50 CDAA NC(=O)[C@@H]1CCC[C@H](NC(=O)CC[C@H]2CCCO2)C1 241144868 JTTONESPVXTNBP-GRYCIOLGSA-N 268.357 1.106 0 50 CDAA CC(=O)N1CCCN(C(=O)N[C@H](C)c2cccnc2)CC1 342399603 UFJURFAFUFVBIF-GFCCVEGCSA-N 290.367 1.406 0 50 CDAA Cc1cc(C)n(-c2cncc(N(C)C[C@@H](C)C(=O)O)n2)n1 263546976 HUNLSSLQFKXNRD-SECBINFHSA-N 289.339 1.436 0 50 CDAA CC(C)(C)OC(=O)N1CCOC2(CCNCC2)C1 36155482 XLEJZQHSRRYDFL-UHFFFAOYSA-N 256.346 1.376 0 50 CDAA in-vitro COc1cccc2c1CC[C@@]2(N)C(=O)NCC(F)(F)F 912452196 JSVYMVQUCRZEDQ-LBPRGKRZSA-N 288.269 1.474 0 50 CDAA CC1(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)CC=CC1 910613194 VSJVQRLUORGANT-BGMSHATGSA-N 293.363 1.871 0 50 CDAA Cc1nonc1CNC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 873281372 HVGOITUOYGCHJN-NWDGAFQWSA-N 294.355 1.336 0 50 CDAA CN(CC1=CCCOC1)C(=O)NC[C@@H]1NCCCC1(C)C 952852445 WHAFCIQZOCZVRT-AWEZNQCLSA-N 295.427 1.753 0 50 CDAA Cc1ccc(C2=NO[C@H](CNCc3cnnn3C)C2)cc1 952992557 NWFOYVSTCKXUMQ-AWEZNQCLSA-N 285.351 1.406 0 50 CDAA Cc1nccc(N2CC[C@@](O)(c3cc[nH]n3)C2)c1Cl 1875288266 UTTIYEDWNKZNNR-ZDUSSCGKSA-N 278.743 1.864 0 50 CDAA C[C@H]1NC(=O)[C@H](c2ccc(Br)cc2)NC1=O 1875278901 UUWXFIYXXANQDA-MUWHJKNJSA-N 283.125 1.125 0 50 CDAA CCSc1cnccc1C(=O)NC/C=C/C(=O)OC 1875273029 XJSVQLYLIPNRLU-SNAWJCMRSA-N 280.349 1.653 0 50 CDAA C[C@@H](F)CCN1CCc2c(Cc3nn[nH]n3)cccc2C1 1875330416 WYIVJZGZINYBBR-LLVKDONJSA-N 289.358 1.897 0 50 CDAA CC(=O)[C@@](C)(O)CN1Cc2cccnc2N2CCC[C@H]2C1 879691703 HZIXFQQWXVJAAZ-HOCLYGCPSA-N 289.379 1.206 0 50 CDAA N[C@@H]1CN(Cc2cn3cccc(F)c3n2)CC12CCC2 1775962291 DAYMNYKCKYBYFG-CYBMUJFWSA-N 274.343 1.787 0 50 CDAA CCc1ncnc(N2C[C@H]3C[C@H](CO)[C@H]3C2)c1F 1776007369 ZRVSBDKGXZVJQH-BBBLOLIVSA-N 251.305 1.243 0 50 CDAA Cc1ccc2c(CC(=O)N3CC[C@H](N)C3)coc2c1 237872160 QEAXXZPGRSNXJB-LBPRGKRZSA-N 258.321 1.843 0 50 CDAA Cc1nccn1C[C@@H]1CCCN1C[C@](C)(O)C(F)(F)F 253396745 NVPKGDYAFLFJOB-RYUDHWBXSA-N 291.317 1.969 0 50 CDAA CNC[C@H]1CCN(C(=O)Cc2cc(Cl)ccc2OC)C1 178962256 FQBMYRLNCYAIRJ-LLVKDONJSA-N 296.798 1.959 0 50 CDAA O=C(NC[C@]1(O)CCCNC1)c1ccc(F)cc1Cl 299757480 KCSRNMJHMBFTCQ-ZDUSSCGKSA-N 286.734 1.323 0 50 CDAA O=C1CCCN1[C@@H]1CCCN(CCn2cc(Cl)cn2)C1 71639009 PKFCCFYYZDZTDP-CYBMUJFWSA-N 296.802 1.623 0 50 CDAA CCOc1ccc(CC(=O)N[C@@H](CSC)C(=O)O)cc1 534593324 OJCURRGBWIZJOO-LBPRGKRZSA-N 297.376 1.560 0 50 CDAA CCOc1ccnc(N2CCC[C@@]3(CCNC3)C2)n1 534652967 BKGBSPWNHWWMQN-AWEZNQCLSA-N 262.357 1.455 0 50 CDAA C[C@@H]1C[C@@H](C)N(C(=O)c2cnn3c2CCC3)C[C@@H]1CN 333802350 HZRIOSMHLSHOPI-UTUOFQBUSA-N 276.384 1.275 0 50 CDAA C[C@@H](Cc1cccnc1)NC(=O)c1cnc(N)s1 1263247224 PUBACCJQOKJUHR-QMMMGPOBSA-N 262.338 1.481 0 50 CDAA CCCn1nc(C)c(CN=c2nc3c(c[nH]2)ncn3C)c1C 2100541250 XTFYQFPNBGRCLI-UHFFFAOYSA-N 299.382 1.621 0 50 CDAA CN(C)[C@H]1C[C@H](C(=O)NC2Cc3ccccc3C2)C1 2325784687 CISUNUGTXABQBA-CTYIDZIISA-N 258.365 1.610 0 50 CDAA O=C(NS(=O)(=O)c1ccco1)[C@@H]1[C@H]2CC(F)(F)C[C@H]21 2325787740 UJKLTUZSCRJBKN-QMSLJYSESA-N 291.275 1.376 0 50 CDAA COC(=O)[C@@H]1CC[C@H](Cn2cnc(C3CCOCC3)n2)C1 2325793029 CPOSCTZQYAADIV-WCQYABFASA-N 293.367 1.761 0 50 CDAA O=C(Cc1c[nH]c2nccc(Cl)c12)N[C@H]1CCNC1 2325795305 XSTLPHOQXZQZBV-VIFPVBQESA-N 278.743 1.237 0 50 CDAA OCc1n[nH]c2c1CN(c1nc(C3CCC3)ns1)CC2 2325802614 QDDRFXQNCMAJII-UHFFFAOYSA-N 291.380 1.584 0 50 CDAA Cc1noc(C2CCC(On3cccn3)(C(=O)O)CC2)n1 2325821619 AUOYCGFEPRXDKC-UHFFFAOYSA-N 292.295 1.184 0 50 CDAA Cc1nc([C@@H]2CCN(C(=O)Nc3cnsn3)C2)no1 931393534 JBRDYHUWMIULKH-SSDOTTSWSA-N 280.313 1.251 0 50 CDAA CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@H]2[C@H]1C2(F)F 215769417 LSTRNSGAOYAQTB-VQVTYTSYSA-N 263.240 1.714 0 50 CDAA NS(=O)(=O)c1ccc([C@]2(O)C=Nc3ccccc32)cc1 210917 WFGKCBRWDIVLHZ-CQSZACIVSA-N 288.328 1.286 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 445658 YDPAVIZFYHAEHR-JTQLQIEISA-N 266.322 1.939 0 50 CDAA Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21 1641925 GTVPOLSIJWJJNY-UHFFFAOYSA-N 298.350 1.380 0 50 CDAA endogenous,world Cc1nc(-c2ccc3cc[nH]c3n2)n(C[C@H]2COCCO2)n1 2356136418 UBSAGCWOTKILQQ-LBPRGKRZSA-N 299.334 1.545 0 50 CDAA CCn1cc(-c2cc(C(F)(F)F)nc(NN)n2)c(C)n1 2538122 VJINQPPROOIFAN-UHFFFAOYSA-N 286.261 1.973 0 50 CDAA CC(=O)CC(=O)OC(C)(C)C(C)(C)OC(=O)CC(C)=O 2839310 DYGVOBCLABXAHP-UHFFFAOYSA-N 286.324 1.588 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cc1 3865034 LLIAUQYRUNDBGT-GFCCVEGCSA-N 299.348 1.323 0 50 CDAA CCc1c(C)sc(NC(=O)CCC(=O)O)c1C(N)=O 4652511 RXSKCVDJIUCQBP-UHFFFAOYSA-N 284.337 1.521 0 50 CDAA CCOc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6706478 WFUZERCCJBXDOH-UHFFFAOYSA-N 279.321 1.676 0 50 CDAA O=C(O)CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6726762 SAVUPPCUBXOQLU-UHFFFAOYSA-N 290.319 1.726 0 50 CDAA Cc1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)[nH]1 101323281 JBMJTMWZCDUBPT-GUBZILKMSA-N 266.370 1.510 0 50 CDAA CN1CC[C@H](CNC(=O)c2cccc3c2OCO3)C1 109849380 AVWHPQJOOHTQCA-SNVBAGLBSA-N 262.309 1.097 0 50 CDAA Cc1cccc(CS(=O)(=O)NCCCN2CCCC2)c1 10539153 KXVDMTMFFQAVID-UHFFFAOYSA-N 296.436 1.900 0 50 CDAA CNCC(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 225472171 VZJMVHCSUUKSIY-UHFFFAOYSA-N 299.330 1.736 0 50 CDAA CC[C@]1(CO)CCCN1Cc1cc(C(=O)OC)n(C)c1 225640668 JTPPHHYRVALPFG-OAHLLOKOSA-N 280.368 1.549 0 50 CDAA CCNC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 9197874 MJDNCIUKNXJRTA-GFCCVEGCSA-N 260.337 1.792 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCN(CC(F)F)C2)ns1 416354264 NYOTXAOBTGLEOD-MRVPVSSYSA-N 275.324 1.521 0 50 CDAA C[C@H](SC(=S)SCCC(=O)O)C(=O)O 114845362 IKWGMGMZWODWEO-BYPYZUCNSA-N 254.354 1.686 0 50 CDAA Cc1cc(O)n(-c2ccc(S(=O)(=O)O)c(Cl)c2)n1 100226188 QKSSREPLOJCYBG-UHFFFAOYSA-N 288.712 1.786 0 50 CDAA COc1ccc(CCNC(=O)c2coc(C)n2)cc1 22606303 LQCPDNOXVAUONP-UHFFFAOYSA-N 260.293 1.964 0 50 CDAA CC(=O)N(C)[C@@H]1CCN(c2nc(C)c3ccccc3n2)C1 67654177 UVUCXTGJZVBONQ-CYBMUJFWSA-N 284.363 1.995 0 50 CDAA CO[C@@H]1C[C@@H](c2nncn2C)N(c2nc3ccccc3[nH]2)C1 343746842 UQYYNBLQVBRKSD-MFKMUULPSA-N 298.350 1.658 0 50 CDAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cc(C)ccc1C 65497908 NGQNTVHIVFYLGQ-LSDHHAIUSA-N 277.364 1.802 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)COCC(F)(F)F 248150752 UBFZDVWMGFEZKJ-GHMZBOCLSA-N 294.317 1.651 0 50 CDAA OC[C@@H]1CC[C@@H](CO)N1Cc1c(F)cccc1F 347271504 ISQJPDYTDFNDOA-UWVGGRQHSA-N 257.280 1.282 0 50 CDAA CCc1cc(N(C)Cc2nonc2C)nc(N(C)C)n1 65466151 UJZIVARGZCCXLM-UHFFFAOYSA-N 276.344 1.433 0 50 CDAA CC(=O)Nc1ccccc1N1C[C@H](C(=O)O)CC1=O 65370217 NBJOSSGVWBRDIE-SECBINFHSA-N 262.265 1.083 0 50 CDAA C[C@@H](C(=O)N(C)C)N(c1cccc(F)c1)S(C)(=O)=O 67601916 FQIINHYMWIXIRQ-VIFPVBQESA-N 288.344 1.068 0 50 CDAA COCc1c(C(=O)N2CCC[C@]3(CCNC3)C2)noc1C 67821685 UPLMOGKWULHUOL-OAHLLOKOSA-N 293.367 1.345 0 50 CDAA CC(C)(C)[C@H](N)C(=O)NCc1ccccc1-n1cncn1 219145761 ZJTODJVIMOQCJS-CYBMUJFWSA-N 287.367 1.257 0 50 CDAA CCN(C[C@@H]1CCOC1)C[C@@H](O)COc1ccc(F)cc1 229248871 VIEKORHLTDSWIJ-DZGCQCFKSA-N 297.370 1.924 0 50 CDAA C[C@@H]1Cc2ccccc2N1C[C@@H](O)Cn1cccn1 229241959 WPNJVERWSPZGFQ-OCCSQVGLSA-N 257.337 1.695 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)Nc1nc(C)ns1 63848681 ULFZAKUZAGVMEJ-SECBINFHSA-N 280.357 1.643 0 50 CDAA O=C(CCc1cnc[nH]1)N1CCC(Cn2cccn2)CC1 329293112 RLRFZCZQZAZWNQ-UHFFFAOYSA-N 287.367 1.478 0 50 CDAA C[C@@H]1OCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CO 253370033 LDVJDIGOWUGOKO-CORIIIEPSA-N 275.348 1.530 0 50 CDAA Cc1cc2ncc(C(=O)c3ccccc3O)cn2n1 1393679 UWFRFWZUKHFENT-UHFFFAOYSA-N 253.261 1.974 0 50 CDAA CN(CCOCC1CC1)C(=O)N[C@H]1CCN2CCCC[C@@H]12 229869143 RTQRPPDXLYBYRV-GJZGRUSLSA-N 295.427 1.681 0 50 CDAA O=C(c1csnn1)N1CCCC[C@H]1c1ncon1 329471167 YTUCBTLOWTVNKC-QMMMGPOBSA-N 265.298 1.289 0 50 CDAA CCOC(=O)c1cn2cc(Br)cnc2n1 35635546 IMKBFCDPIFTPLH-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA C[C@H](C(=O)Nc1ccnn1C(C)(C)C)n1cncn1 171929171 CPRRMWSIIFJFQB-SECBINFHSA-N 262.317 1.429 0 50 CDAA Cc1cc(N2CCC[C@@H](NC[C@H]3CCC=CO3)C2)n(C)n1 328587786 HYYFPNKLXKXSIE-HUUCEWRRSA-N 290.411 1.980 0 50 CDAA C[C@]1(NCC(=O)O)CCN(Cc2cccc(Cl)c2)C1 328603749 HAXJMCPCBKNQDM-AWEZNQCLSA-N 282.771 1.979 0 50 CDAA CO[C@@H]1C[C@H](c2nc(C)no2)N(CCOCC2CC2)C1 328625089 KKLDHEVKKNGWMK-CHWSQXEVSA-N 281.356 1.566 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCc3nccn3C2)O1 328635782 VCWVESYTOXXNNR-AGIUHOORSA-N 277.368 1.471 0 50 CDAA OC[C@]1(F)CCN(c2nnc(-c3ccccn3)s2)C1 328747132 OZOZRRIMSCMICF-LBPRGKRZSA-N 280.328 1.511 0 50 CDAA CCc1nnc(O)c(C(=O)N(C)c2ccn(C)n2)c1CC 331071077 INWFGSXWUSZYBB-UHFFFAOYSA-N 289.339 1.317 0 50 CDAA Cn1cc([C@H]2CCCN(C(=O)c3cccc(CO)c3)C2)cn1 365863918 XTDKFAFPLUOGJJ-HNNXBMFYSA-N 299.374 1.932 0 50 CDAA CCCCOC(=O)[C@@H]1CN1C(C)(C)C(=O)OCC 39834348 PCEYMUABFCOYQS-XLLULAGJSA-N 257.330 1.356 0 50 CDAA CC(C)c1nccc(=NC[C@@H]2CN3CCCC[C@H]3CO2)[nH]1 367129355 QMWARKRWVTZGAF-UONOGXRCSA-N 290.411 1.687 0 50 CDAA Cc1occc1CN(C)CC(=O)N1CCOC[C@@H]1C1CC1 367240033 ITVLAQTXVFMZTN-OAHLLOKOSA-N 292.379 1.657 0 50 CDAA CC(C)[C@H](NC(=O)N[C@H]1C[C@@](C)(O)C1)C(F)(F)F 332041914 LTCZKZWGXBRXBB-OYNCUSHFSA-N 268.279 1.786 0 50 CDAA CCc1nccc(CN2CC[C@]3(C2)CN(C)C(=O)O3)n1 216396838 WAJGDEWZFKQSHG-CQSZACIVSA-N 276.340 1.066 0 50 CDAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1cc(C(C)(C)C)on1 368497157 WBKORVKYXCFBRZ-UWVGGRQHSA-N 283.347 1.744 0 50 CDAA CN(C)c1cccc(C(=O)NC2CCS(=O)(=O)CC2)c1 219109683 XLQJMRWNVRRNKU-UHFFFAOYSA-N 296.392 1.060 0 50 CDAA Cc1nonc1C(=O)N1CCCC[C@@H]1CCN(C)C 72458446 YFYBYUANKLRTIL-LLVKDONJSA-N 266.345 1.324 0 50 CDAA Cc1nn(CC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c(C)c1Cl 218986989 ISYNDXCZQKQTTF-VWYCJHECSA-N 283.759 1.447 0 50 CDAA C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)O)C(F)(F)F 262697362 YANZVLLMYZISCI-NKWVEPMBSA-N 253.220 1.651 0 50 CDAA COC1(c2ccccc2)CN(C(=O)C[C@H]2COC(=O)C2)C1 376275951 VNVQIVUCKPRCFI-GFCCVEGCSA-N 289.331 1.324 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2CN)c(C)c1 237319266 KZNMUZOYFZLOLP-LLVKDONJSA-N 284.381 1.115 0 50 CDAA Cc1ccsc1CN(CCN(C)C)C(=O)c1cnn[nH]1 72151593 QNPWJBXWVLEJEX-UHFFFAOYSA-N 293.396 1.379 0 50 CDAA C[C@H](C(=O)N(C)[C@H](C)C(=O)O)N1CCc2ccccc2C1 262731624 BYTABPFXLYHGOM-VXGBXAGGSA-N 290.363 1.365 0 50 CDAA O=C([C@@H]1CCOC1)N1CCC12CCC(CO)CC2 378444186 LNMAGGCZRVAKDE-MBHSVXNSSA-N 253.342 1.177 0 50 CDAA Cc1noc(C)c1CN1CC(O)(c2ccccc2)C1 285892756 ZJMZFZPBZZVBSP-UHFFFAOYSA-N 258.321 1.995 0 50 CDAA CN(C)C(=O)c1n[nH]c(-c2ccccc2N(C)C)n1 426422048 VQAXYZVLTCRVIB-UHFFFAOYSA-N 259.313 1.240 0 50 CDAA Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCO1)CCO2 288214575 DISBRGUZGCTFCH-AWEZNQCLSA-N 261.321 1.895 0 50 CDAA CCOC(=O)C(=O)c1ccc(C2OCCCO2)cc1 43209601 RDBBVPMOQRXLQB-UHFFFAOYSA-N 264.277 1.868 0 50 CDAA CCO[C@H]1CN(Cc2noc(-c3ccccc3)n2)C[C@@H]1O 220076659 JMUVWFAOGJGTPZ-STQMWFEESA-N 289.335 1.318 0 50 CDAA O=C(c1nc2ccccc2[nH]1)N1CCC[C@H](c2ncon2)C1 426421189 PEHFKKGIVJASSN-JTQLQIEISA-N 297.318 1.966 0 50 CDAA O=C(O)Cn1ccc([C@H]2CCCN(C3CCOCC3)C2)n1 426624703 BFYQSVCMBINDAV-LBPRGKRZSA-N 293.367 1.326 0 50 CDAA COc1ncncc1NC(=O)NCC1CCOCC1 178198494 NXXBEJSFSYDPRJ-UHFFFAOYSA-N 266.301 1.033 0 50 CDAA COC[C@@H]1CCCN1C(=O)NCCn1nc(C)cc1C 426621803 UUBNPUOWAJPGJS-ZDUSSCGKSA-N 280.372 1.320 0 50 CDAA Cc1ccc(OCCN)c(C(=O)N2CCC(F)CC2)c1 426383382 VCTZRUGCDSONMT-UHFFFAOYSA-N 280.343 1.907 0 50 CDAA CSc1nsc(NC(=O)COC[C@H]2CCCO2)n1 530998868 GLRLNZVBTCCMRM-SSDOTTSWSA-N 289.382 1.394 0 50 CDAA Cc1ccc2[nH]c(CN[C@@H](C)c3nncn3C)cc(=O)c2c1 91636470 LFENESFXZCMQNY-NSHDSACASA-N 297.362 1.816 0 50 CDAA Cc1nn(C(F)F)c(C)c1CC(=O)N1CCN2CC[C@H]1C2 615562639 KRPDEXMKBQNQGG-NSHDSACASA-N 298.337 1.354 0 50 CDAA O=C(N1CCOCC1)N1CCC[C@](CC2CC2)(C(=O)O)C1 91713904 HEDCPFCJJRJANO-OAHLLOKOSA-N 296.367 1.406 0 50 CDAA CNC[C@H]1CCN(C(=O)Cc2cc(F)ccc2F)C1 178987596 WLSHAHXVBUHLFS-SNVBAGLBSA-N 268.307 1.575 0 50 CDAA Cc1ccc(-c2noc(CCn3cccn3)n2)nn1 91779536 TZJPNKQRKBXYBE-UHFFFAOYSA-N 256.269 1.274 0 50 CDAA CN(Cc1cccnc1)Cc1cnn(CCC(=O)O)c1 97610049 FOCNUFSSSRDJBR-UHFFFAOYSA-N 274.324 1.385 0 50 CDAA Cc1ccc2c(c1)N(CCN1C(=O)CNC1=O)C[C@@H](C)O2 239882093 DAFQENDTEVTPRZ-LLVKDONJSA-N 289.335 1.134 0 50 CDAA N[C@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@@H]1C1CC1 91645149 MJLSPKPRGUHNIX-OCCSQVGLSA-N 280.318 1.703 0 50 CDAA Cc1nn(C)c2nc(N3CCC[C@H]3CCO)sc12 96130438 NGIDLCBOIPKYCO-VIFPVBQESA-N 266.370 1.689 0 50 CDAA O=c1[nH]c2cc(F)c(Br)cc2c(=O)o1 95917922 KSIGHJQLNMQVPU-UHFFFAOYSA-N 260.018 1.383 0 50 CDAA CO[C@@H]1COCC[C@H]1CC(=O)N1CCCc2ncccc21 294580846 WERVKDZHXZKKDD-SWLSCSKDSA-N 290.363 1.802 0 50 CDAA NC(=O)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 180969346 NWAIHIIOAFIBFH-UHFFFAOYSA-N 283.287 1.363 0 50 CDAA CCC(=O)N1CCC[C@H](C(=O)N2C[C@H]3[C@H](C2)C3(C)C)C1 253372803 GSWYRTXUQIYAHJ-AVGNSLFASA-N 278.396 1.749 0 50 CDAA Cc1nc2ccccc2n1CCC(=O)NCC1(C)COC1 252494408 NURYOHAJFFOUTM-UHFFFAOYSA-N 287.363 1.888 0 50 CDAA CC(C)[C@@H](CNc1cnccn1)N1CCOCC1 298085480 HIQCYKVMSJDZED-GFCCVEGCSA-N 250.346 1.245 0 50 CDAA CC(C)n1ccnc1CNC(=O)CCCn1cncn1 534634892 NBDGAIFXBIBEIH-UHFFFAOYSA-N 276.344 1.152 0 50 CDAA Clc1cnn(CCN2CCC[C@@H](c3nc[nH]n3)C2)c1 459394363 SVFYHWGDCKYPOU-SNVBAGLBSA-N 280.763 1.534 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@H](C)c2nc(C3CC3)no2)o1 299792303 GAMVDVFSKMNRPY-MRVPVSSYSA-N 289.291 1.700 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1cccc2c(C)c(C)[nH]c12 292160482 WDAPSXXNONBXLO-KBPBESRZSA-N 288.347 1.928 0 50 CDAA O=C(N[C@H]1CCCN(C2CCCC2)C1)c1cnc[nH]1 299774521 DPPKNMFXJNMLOF-NSHDSACASA-N 262.357 1.547 0 50 CDAA O=C(O)[C@H]1C[C@@H](Nc2cc([C@H]3CCOC3)ncn2)C1 299778960 PXCWHYIRDYEHIJ-LPEHRKFASA-N 263.297 1.256 0 50 CDAA CCCn1cnnc1CNC(=O)CSc1ccccn1 823031358 XTTWMPROOQGHPF-UHFFFAOYSA-N 291.380 1.492 0 50 CDAA O=C(NCCSc1ccccn1)N1CCSCC1 584885883 AUBLHHXNMMBPOB-UHFFFAOYSA-N 283.422 1.932 0 50 CDAA CSC[C@H]1CCCN(C(=O)c2noc(C)c2CO)C1 584887431 NFZFZVZQAUAYCE-JTQLQIEISA-N 284.381 1.691 0 50 CDAA Cc1cc(N[C@@H]2Cc3ccccc3N(C)C2)n2ncnc2n1 585132679 KYJINAXHAYVKEX-CYBMUJFWSA-N 294.362 1.906 0 50 CDAA O=C1[C@@H]2CCCN2C(=O)N1CC1(Br)CC1 585137177 LGDXNFAPKOUAMP-ZETCQYMHSA-N 273.130 1.341 0 50 CDAA COc1ccc(C)cc1C(=O)N[C@H](C)c1nncn1C 584890883 BRQBNRJEAXIDEN-SNVBAGLBSA-N 274.324 1.623 0 50 CDAA O=c1c2ccc(F)cc2ncn1CCCn1ccnn1 584896008 SQRVXBDIJMGNBE-UHFFFAOYSA-N 273.271 1.217 0 50 CDAA Cc1ccc2nc(CCCN=c3[nH]ccc(=N)[nH]3)[nH]c2c1C 584892329 VAXKNQVDKYMKLW-UHFFFAOYSA-N 296.378 1.849 0 50 CDAA COCC[C@H]1CN(C(=O)c2cccnc2C)CCO1 584893785 UFXSSGWBASEJKV-LBPRGKRZSA-N 264.325 1.268 0 50 CDAA O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1C1CC1 670451826 RUPYSMBCOCOYLT-KGLIPLIRSA-N 283.331 1.104 0 50 CDAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc2c(c1)OCCO2 1074561251 FDMIJBSIZHAUOJ-DMDPSCGWSA-N 275.304 1.365 0 50 CDAA Cc1nc([C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)n[nH]1 863895939 AOROFIOHAPCMFK-GFCCVEGCSA-N 288.355 1.175 0 50 CDAA O=C(OCc1ccccc1)N1CC[C@H](O)[C@@H](F)C1 51971103 RKRKELORNFODMN-RYUDHWBXSA-N 253.273 1.728 0 50 CDAA in-vitro Cc1ccnc(NC[C@H](O)c2c(C)nn(C)c2C)n1 1354412438 QURITLUJQHVQDA-NSHDSACASA-N 261.329 1.281 0 50 CDAA O=C(CCN1CCCCCC1=O)NC1(C(=O)O)CCCC1 952962685 GUJVSYIYGVSSFY-UHFFFAOYSA-N 296.367 1.293 0 50 CDAA O=C(O)COc1ccccc1-c1ccn(CC(=O)O)n1 885938848 BHNYYBYJTOVOEK-UHFFFAOYSA-N 276.248 1.098 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CNCCO2)C1 72194300 KSLJZAAAQPGVRM-ZDUSSCGKSA-N 256.346 1.376 0 50 CDAA in-vitro CCc1oc2ccccc2c1CN1CC[C@H](N)[C@@H](O)C1 1565516624 TUASGMKNFMJTFD-KBPBESRZSA-N 274.364 1.889 0 50 CDAA CC1=C(C(=O)NC[C@@H]2CCc3nccn3C2)CCCO1 275306342 AUEGKMBOGXXMTM-LBPRGKRZSA-N 275.352 1.646 0 50 CDAA CN1CCN(C(=O)C[C@@H]2C=CCC2)C[C@@H]1c1nccn1C 276810633 WWVMTEXUSKZLBN-ZIAGYGMSSA-N 288.395 1.592 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)c1ccn(C)n1 277523908 RZUOXURUGLCGBO-QWRGUYRKSA-N 251.330 1.588 0 50 CDAA c1cncc(-c2noc([C@@]34CCC[C@@H]3CNC4)n2)c1 170090586 HWURVGXFVUYJTH-BXUZGUMPSA-N 256.309 1.773 0 50 CDAA Cc1oc(C)c(C(=O)NCCn2c(C)nnc2S)c1C 170641424 UBMLSAIHVWYLAH-UHFFFAOYSA-N 294.380 1.823 0 50 CDAA Cc1nnc(COC2CN(C(=O)[C@@H]3Cc4ccccc43)C2)o1 644214464 KYNWCLQWZRXXSV-CQSZACIVSA-N 299.330 1.445 0 50 CDAA COc1cc(OC)nc(N2CC[C@H](C(C)(C)O)C2)n1 721850177 IIWIJCDRGMWPJC-VIFPVBQESA-N 267.329 1.091 0 50 CDAA CN1C[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@H]2C1 192524848 FERVBNPENYGHEN-BETUJISGSA-N 269.348 1.802 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N(CCC(=O)O)C[C@@H]1CCCO1 668271945 SQHFDWPCXPPQKE-RWMBFGLXSA-N 299.367 1.284 0 50 CDAA O=C(N[C@@H](C(=O)O)C1CCOCC1)c1ccoc1C1CC1 668305082 DSYORQOAYBDJHA-GFCCVEGCSA-N 293.319 1.767 0 50 CDAA CO[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1 578835853 WWJRLWDLOBGLIQ-HPCHECBXSA-N 294.395 1.304 0 50 CDAA C(CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)CO[C@@H]1CCOC1 194077371 RFMRMUZNNZFYAS-KBUPBQIOSA-N 281.396 1.729 0 50 CDAA CCN(CC)C(=O)NC[C@H](C)N1CCCCC1=O 194602134 KPEOSXSJXOPOLB-NSHDSACASA-N 255.362 1.439 0 50 CDAA O=C1NCC[C@@H]1Oc1cc(Br)cc(F)c1F 195446353 SSLSPLMIHYDSGX-ZETCQYMHSA-N 292.079 1.995 0 50 CDAA CN(C)c1n[nH]c(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)n1 585128608 HKIKJYPJTDNLTQ-DCAQKATOSA-N 277.372 1.313 0 50 CDAA C/C=C/[C@H](O)C(=O)NCc1nccn1CCc1ccccc1 585121501 RAQOJOASGLWUKP-XCWSRWAASA-N 299.374 1.679 0 50 CDAA c1ccc(OCCc2cn(C3CCNCC3)nn2)cc1 656457576 XWIGCNJBBCPQKI-UHFFFAOYSA-N 272.352 1.824 0 50 CDAA CNc1ccc(NC(=O)[C@]2(C(=O)O)CC=CCC2)cn1 656853294 WOLCBXRGRXBMPL-AWEZNQCLSA-N 275.308 1.873 0 50 CDAA CS(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 1655975164 HIIZJGRODMEHEN-CYBMUJFWSA-N 265.334 1.422 0 50 CDAA C[C@@H](CC1COC1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 1615585799 LRWQPLAJNGTFIV-GXTWGEPZSA-N 280.412 1.935 0 50 CDAA COC1(c2nccn2C)CN(C(=O)OCC(F)(F)F)C1 1615614565 PBFOVAYFGBWNLS-UHFFFAOYSA-N 293.245 1.276 0 50 CDAA CCOc1ccccc1NC(=O)N1C[C@H](O)[C@@H](F)C1 1615701679 ZUSTZOVQHTWGGL-ONGXEEELSA-N 268.288 1.632 0 50 CDAA Clc1cnn2c(I)cnc2c1 205493981 VNNGLAHFEULQGK-UHFFFAOYSA-N 279.468 1.987 0 50 CDAA Cc1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cc1 1529195719 ODAXZSUCUFUVRI-NVXWUHKLSA-N 283.375 1.820 0 50 CDAA COC(=O)CN1Cc2ccc(OC)cc2OC(C)(C)C1 421041495 ORWRMBOGCRIHGN-UHFFFAOYSA-N 279.336 1.841 0 50 CDAA Cc1[nH]nc(CN2C[C@@H]3COCC[C@]3(CO)C2)c1Cl 1772712035 ZQLUXBCDILFBLF-ZWNOBZJWSA-N 285.775 1.202 0 50 CDAA CCOCCNc1nnc([C@H](N)c2ccccc2)o1 1772700565 AINVHUZTSNDEFJ-LLVKDONJSA-N 262.313 1.566 0 50 CDAA CN(C)C[C@]12CNC[C@@H]1CN(C(=O)c1ccc(Cl)o1)C2 1772711325 HKBOMEUKTKMEMC-YGRLFVJLSA-N 297.786 1.156 0 50 CDAA CC(C)[C@H](NC(=S)NC1CCCCC1)C(=O)O 12382013 CDBOKXXBSOUKDZ-JTQLQIEISA-N 258.387 1.892 0 50 CDAA COc1cccc([C@@H]2NCCc3nc[nH]c32)c1OC 5611241 NPVLUFAQMUIFDN-LBPRGKRZSA-N 259.309 1.662 0 50 CDAA biogenic COc1cc(/C=C2\SC(=N)NC2=O)cc(OC)c1O 5009632 SVODGTLUEAGXEC-UITAMQMPSA-N 280.305 1.548 0 50 CDAA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(F)cc1 5049278 RCMPDKQHHLGASK-UYYQOPGSSA-N 275.279 1.962 0 50 CDAA COc1ccc(C(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)o1 12387149 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Cc1c(-c2ccccc2)n[nH]c1C(=O)N[C@H]1CC[C@H](N)C1 253600446 NODXQXUZPPTYHI-STQMWFEESA-N 284.363 1.995 0 50 CDAA O=C(NCCc1cn[nH]c1)[C@H]1CCc2ccccc21 579892792 FOBNEWKOYHEYQZ-AWEZNQCLSA-N 255.321 1.798 0 50 CDAA O=C1CC[C@@H](CCNC2CCN(c3ccccc3)CC2)N1 376071661 XMPMEYVKRBVHSS-HNNXBMFYSA-N 287.407 1.914 0 50 CDAA CN(C)c1cc(CN[C@@H]2CCC(=O)NC23CCC3)ccn1 585080540 MRBXHWWKHBMQKI-CYBMUJFWSA-N 288.395 1.439 0 50 CDAA Nc1nc(N)c2ncn(CCCCC(F)(F)F)c2n1 901475085 OKWFMLAOXABHIK-UHFFFAOYSA-N 274.250 1.723 0 50 CDAA Cn1cnc2c(N3CCCC[C@H]3c3ncccn3)ncnc21 825644270 VUVYFZAYQDBNPV-NSHDSACASA-N 295.350 1.885 0 50 CDAA CC[C@H](NC1CC(CO)C1)c1cccc(OC)n1 926733514 URMVSEICETXJJX-MCIGGMRASA-N 250.342 1.902 0 50 CDAA COc1cc(C(=O)NC[C@H]2CCC(C)(C)CO2)ncn1 829157000 KTXZGHKIZKRBFR-SNVBAGLBSA-N 279.340 1.420 0 50 CDAA Cn1ccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)n1 930079848 XOEZYQHVBBFZMY-LBPRGKRZSA-N 277.372 1.559 0 50 CDAA CN(CC1CC1)C[C@H]1CCN(C(=O)Nc2cccnn2)C1 930346992 LSBMFSWSQCUTIT-CYBMUJFWSA-N 289.383 1.672 0 50 CDAA O=C(c1ccc2c(n1)CCCN2)N1CCCc2nn[nH]c21 1875272056 PSUGQDJKQQIOPT-UHFFFAOYSA-N 284.323 1.151 0 50 CDAA CC[C@@](NC(=O)CC1CCSCC1)(C(N)=O)C1CC1 1875261471 WSNDIPRWCCOKAV-AWEZNQCLSA-N 284.425 1.680 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@H]1OCc2ccccc21 1875377158 UMTQSCKUXGRPKX-LHRNQBEKSA-N 260.337 1.492 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCOC[C@H]1CC1CCC1 1875367112 IPCKNNFSWOWUSX-CQSZACIVSA-N 294.395 1.439 0 50 CDAA C=CC(=O)NCc1ccc(N2CCCC[C@@H]2CCO)nc1 1875366523 SDAPQYWWLQDHOZ-CQSZACIVSA-N 289.379 1.625 0 50 CDAA CC(=O)N1C[C@H]2CN(C(=O)c3ncc(C)cc3C)C[C@H]2C1 881692365 FVODNBMQWDZYJF-OKILXGFUSA-N 287.363 1.249 0 50 CDAA CCn1cccc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 886088789 MOSWEVHYGDFLCA-MRXNPFEDSA-N 293.411 1.313 0 50 CDAA CCOC1CC(CCNC(=O)[C@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)C1 1775960785 ICWXYBCFUZRVBF-APVKYZDHSA-N 280.412 1.681 0 50 CDAA Cc1nc(C)c(C(=O)N[C@@H](C(=O)O)C2CCCC2)o1 257645613 BYMMYDPGRQBPII-SNVBAGLBSA-N 266.297 1.665 0 50 CDAA CN[C@@H](C)CNC(=O)c1cc(-c2ccccc2)on1 261800476 RRBSEYUKJOSMLY-JTQLQIEISA-N 259.309 1.679 0 50 CDAA COc1cc(Cl)ccc1C(=O)N1CC[C@](C)(O)[C@H](O)C1 247879844 IKMUHJJFECURAP-OCCSQVGLSA-N 299.754 1.306 0 50 CDAA Cc1ccc([C@@H](O)CN2CCN(C)C[C@H]2C)cc1C 300403800 DIPUAHUTSUGSST-ZBFHGGJFSA-N 262.397 1.973 0 50 CDAA C[C@@H](c1cccs1)N(C)C(=O)c1[nH]nc2c1CNCC2 188375314 DGLCHOZRHPJUIS-VIFPVBQESA-N 290.392 1.950 0 50 CDAA CNC(=O)[C@H](C)N(C)Cc1ccccc1OC(F)F 65373081 XROUVCMMCZMAPY-VIFPVBQESA-N 272.295 1.854 0 50 CDAA CNC(=O)[C@@H](C)N(C)Cc1ccccc1OC(F)F 65373082 XROUVCMMCZMAPY-SECBINFHSA-N 272.295 1.854 0 50 CDAA CN(CCN[C@H]1CCCC(C)(C)C1)S(C)(=O)=O 67739588 HIJBVWJQEDNTPA-NSHDSACASA-N 262.419 1.436 0 50 CDAA CCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 67871471 WJLJUYKUNCEWSP-LLVKDONJSA-N 293.392 1.572 0 50 CDAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H](N)CC1 72156631 QOCVLXDEQLXEPM-GFCCVEGCSA-N 278.400 1.980 0 50 CDAA CSC[C@H](C)C(=O)N1C[C@H]2C[C@H](O)CC[C@H]2C1 398778763 MQXAZRYXBPWXDW-NNYUYHANSA-N 257.399 1.605 0 50 CDAA COc1ccc(CCNC(=O)c2cnn[nH]2)c2ccccc12 2325742303 NBJYJESNHVJFCW-UHFFFAOYSA-N 296.330 1.939 0 50 CDAA Cn1nccc1-c1nn[nH]c1NC(=O)[C@H]1CCCSC1 2325783321 OFFZMARHJZRAOR-QMMMGPOBSA-N 292.368 1.287 0 50 CDAA C[C@@H]1CC[C@@H]2CN=C(NCc3ccns3)N2C1 2325801533 MIUCAMIIDLXAGQ-NXEZZACHSA-N 250.371 1.703 0 50 CDAA O=C(O)[C@@]1(CO)CCN(Cc2cccc3cnccc23)C1 2325801677 SAWFQTJXWLBMHO-INIZCTEOSA-N 286.331 1.504 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1C[C@]23CCC[C@]2(COC3)C1 2325827336 CLWSYOFFSPXDGX-BHYGNILZSA-N 286.375 1.716 0 50 CDAA NCCN(Cc1ccccc1)C(=O)c1cccc2nncn12 2325862833 KENXCGATLBXVTP-UHFFFAOYSA-N 295.346 1.330 0 50 CDAA CO[C@H]1C[C@H](OC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)C1 861301896 XMIOUPLZFFUYAV-FNCVBFRFSA-N 295.257 1.164 0 50 CDAA O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ncc[nH]1 917125221 XFSALMQLQLWFNW-UHFFFAOYSA-N 292.726 1.822 0 50 CDAA N[C@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 148400857 ZETVUCLGYSRTFM-JTQLQIEISA-N 288.269 1.687 0 50 CDAA CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)O 97643 AGDVYAPPQUVBHB-JTQLQIEISA-N 257.311 1.074 0 50 CDAA COC(=O)c1ccccc1NC(=O)c1nc2ncccn2n1 339009 UYHCZZVSKHHDHN-UHFFFAOYSA-N 297.274 1.163 0 50 CDAA O=C(O)c1c[nH]c2c(O)c(Cl)c(F)cc2c1=O 406650 NHULNYVUGWLSNQ-UHFFFAOYSA-N 257.604 1.724 0 50 CDAA NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 421117 BPSKJGZTQFXIJA-UHFFFAOYSA-N 285.332 1.393 0 50 CDAA COC(=O)COc1cc(Cl)c(C=O)cc1OC 465146 PMZNKCBQGLPRTN-UHFFFAOYSA-N 258.657 1.713 0 50 CDAA Cn1nnnc1SCC(=O)Nc1cccc(Cl)c1 617349 ULNJHONBBLQKHI-UHFFFAOYSA-N 283.744 1.594 0 50 CDAA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)O)cc1 608603 VIEGXZPXGYXDFZ-UHFFFAOYSA-N 285.365 1.638 0 50 CDAA O=C(NCCc1ccccc1)C(=S)N1CCOCC1 1060312 VBBGUFXFZXTJGO-UHFFFAOYSA-N 278.377 1.005 0 50 CDAA COCCc1noc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)n1 2356137306 JLIRMMSOINKRBW-MPZDIEGVSA-N 295.383 1.240 0 50 CDAA CCc1nc(CN2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)cs1 2356145221 GZDBJNMDWFTBNU-OSFYFWSMSA-N 294.420 1.677 0 50 CDAA O=C(O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 2656178 SVUWNNIOERGNJG-UHFFFAOYSA-N 289.740 1.823 0 50 CDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cccc(O)n3)C[C@H]21 2356165256 ZXXRVTZLRRNTNS-OZVIIMIRSA-N 290.363 1.800 0 50 CDAA COC(=O)c1ccccc1NC(=O)c1cnn2cccnc12 2879061 WLPPONOPBLHVFO-UHFFFAOYSA-N 296.286 1.768 0 50 CDAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)CCO 222107058 CGQPCFHWUGXULJ-DRZSPHRISA-N 263.337 1.686 0 50 CDAA COCCN(CC(=O)O)C(=O)[C@@H]1CCOc2ccccc21 111185403 JRBKEJVGPRUUOY-GFCCVEGCSA-N 293.319 1.112 0 50 CDAA CCOCC1(C(=O)N2CCN(C(=O)OCC)CC2)CC1 225636203 YDFLEGGZHJIIFA-UHFFFAOYSA-N 284.356 1.104 0 50 CDAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)c(C)c1 101197811 GWFFJZWFYFIQSS-WBOJAVRRSA-N 299.326 1.109 0 50 CDAA O=C(CCCn1cncn1)NCCCc1ccccc1 54045190 ANBZEKZMQNGZFY-UHFFFAOYSA-N 272.352 1.807 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(N)cn1 116888825 AXMLZBMKFHWLOF-NSHDSACASA-N 266.345 1.865 0 50 CDAA Cc1ccsc1CN(CC(C)C)C[C@@H](O)CO 55576455 QNKNYULVZRSPOP-GFCCVEGCSA-N 257.399 1.868 0 50 CDAA CCn1ncc2c1NC(=O)C[C@H]2c1cnc(COC)nc1 65504275 KRVXNRPHODPLAK-JTQLQIEISA-N 287.323 1.314 0 50 CDAA COc1ccc(F)cc1C(=O)N1C[C@H](C)N[C@@H](C)C1 154178732 JCONNWRELREOMP-UWVGGRQHSA-N 266.316 1.657 0 50 CDAA Cc1ccccc1[C@@H](C(=O)N1CCCOCC1)N(C)C 65489745 SUFPMANWCWWWFN-HNNXBMFYSA-N 276.380 1.847 0 50 CDAA Cc1cccc(Cn2c(-c3cnccn3)n[nH]c2=O)c1 67820681 HWIROCJBPFTDKK-UHFFFAOYSA-N 267.292 1.385 0 50 CDAA NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)C1 247129378 NMCQEBHVPJQZPZ-GAFUQQFSSA-N 280.318 1.876 0 50 CDAA Cc1ccc(NCCCNC(=O)[C@@H]2CCOC2)nc1 172363705 RHEVPPYYCVUDHO-GFCCVEGCSA-N 263.341 1.345 0 50 CDAA COc1ccc(CN2CCC[C@@H](CO)C2)c(OC)c1OC 23114941 GXDUQGITFQVULU-GFCCVEGCSA-N 295.379 1.917 0 50 CDAA Cn1ncc(CN2[C@H]3CC[C@@H]2CC(=O)NC3)c1C1CC1 65393854 YBDUOCKOWXKOAN-OLZOCXBDSA-N 274.368 1.150 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@]23CCC[C@]2(CNC3)C1 1535645315 VMFBCHWNAJRTTR-KBPBESRZSA-N 252.358 1.997 0 50 CDAA CNc1cc(C(=O)N(C)[C@@H](C)c2ccon2)ccn1 65393784 QMSYUXSABVQUOG-VIFPVBQESA-N 260.297 1.945 0 50 CDAA CCc1ccccc1OCCN[C@@H](C)c1nnn[nH]1 65451330 NKGQKNCHLOFTLO-JTQLQIEISA-N 261.329 1.492 0 50 CDAA Cc1ccc(CN(C)c2ccnc(N3CCOCC3)n2)o1 352409835 MCRBAWSTGWEQOG-UHFFFAOYSA-N 288.351 1.851 0 50 CDAA CCc1ncc2c(n1)CN([C@H]1C[C@@H](C)OC1=O)CC2 229553822 JJSKCNFTDLXJGM-SKDRFNHKSA-N 261.325 1.101 0 50 CDAA CCOC(=O)[C@@H](C(C)=O)C(=O)c1ccccc1NC(C)=O 1404625 BBMGKPQAOAQAEN-ZDUSSCGKSA-N 291.303 1.596 0 50 CDAA O[C@]1(CN(Cc2cccnc2)Cc2cccnc2)CCNC1 72406730 MIEAHDMUBSZJBJ-QGZVFWFLSA-N 298.390 1.203 0 50 CDAA O=C(CCc1cscn1)N1CCc2n[nH]cc2C1 328742110 NVBALIOVPAVVRV-UHFFFAOYSA-N 262.338 1.384 0 50 CDAA CCCN(CCC)S(=O)(=O)N1[C@@H](C)CC[C@H]1C(=O)O 650232083 MMGPGLCBSYVGHH-QWRGUYRKSA-N 292.401 1.291 0 50 CDAA Cn1c(SCc2nc(O)n[nH]2)nnc1C1CCC1 329714341 SUTZKOHYDHQOHU-UHFFFAOYSA-N 266.330 1.199 0 50 CDAA Fc1ccccc1CCNc1ncnc2c1CCNCC2 72425996 YWBQEEHIWDRLIH-UHFFFAOYSA-N 286.354 1.959 0 50 CDAA Cc1nn(C(=O)[C@H]2CCCOC2)c2cc(N)ccc12 241897405 TYMBUBQMAXBOAV-JTQLQIEISA-N 259.309 1.994 0 50 CDAA COc1ccc(C(=O)NCC[C@H]2CCOC2)c(OC)n1 218989017 HGQYUCFFQJUZNR-JTQLQIEISA-N 280.324 1.255 0 50 CDAA Cc1nccn1CC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C 331332679 HZYPBZDCIMMCSO-AWEZNQCLSA-N 289.383 1.829 0 50 CDAA CN[C@@H](C)CNC(=O)c1ccc(-c2nnc(C)[nH]2)cc1 261661691 GAFLSTRYXKSNLT-VIFPVBQESA-N 273.340 1.118 0 50 CDAA Cc1nn(C)cc1CN(C)C[C@@H]1CCN(C)C1(C)C 215203138 MINBJBDRVOTXDK-AWEZNQCLSA-N 264.417 1.891 0 50 CDAA Cc1cc(CN(C)Cc2cccc(-c3nn[nH]n3)c2)on1 215635335 BNMNULSAOPSVOA-UHFFFAOYSA-N 284.323 1.795 0 50 CDAA CSCc1noc(Cn2cnc3ccccc3c2=O)n1 32517835 UNCIGKBQRYTLQT-UHFFFAOYSA-N 288.332 1.691 0 50 CDAA COCc1cc(C(=O)N2CCCNCC2)ccc1F 237189305 CEVJCPQNAJBUBC-UHFFFAOYSA-N 266.316 1.408 0 50 CDAA Cn1cc(CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cn1 333585471 UOEWBTCQZATJRV-XDQVBPFNSA-N 285.347 1.160 0 50 CDAA Cc1ncsc1CCN(C)C(=O)CCCn1cncn1 72474104 MJMAVDXLIBVHOP-UHFFFAOYSA-N 293.396 1.524 0 50 CDAA COCCC1(C(=O)N2CC[C@@](O)(C3CC3)C2)CCC1 373342048 UTEGSPWCTQDWQF-HNNXBMFYSA-N 267.369 1.567 0 50 CDAA C=C(NOCC)c1cccc(OS(C)(=O)=O)c1 71781625 LXNNFHHJIMGBNH-UHFFFAOYSA-N 257.311 1.537 0 50 CDAA 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CC(=O)NCC1CCN(c2cc(C)nc3ccnn23)CC1 72418039 OKZAWHJECKISKD-UHFFFAOYSA-N 287.367 1.390 0 50 CDAA O=C(c1ccncc1)N1CCNC[C@H]1c1cccnc1 261650438 GIMJZRMSQIJQOM-AWEZNQCLSA-N 268.320 1.263 0 50 CDAA CN(C)[C@H]1CN(Cc2ccc(F)c(F)c2F)C[C@@H]1O 216113419 MPFDFBFCCZHXFI-QWRGUYRKSA-N 274.286 1.211 0 50 CDAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 332943826 VMQXVFBGOQFCCG-YJIVIRPOSA-N 278.352 1.125 0 50 CDAA CC[C@H](C)NS(=O)(=O)c1cccc(C(=O)NC)c1 33359665 GCOXZEHUYIJNHI-VIFPVBQESA-N 270.354 1.123 0 50 CDAA Cc1cnccc1N1CCN([C@@H]2CCCCNC2=O)CC1 373528653 KXRCERRFUHQVFE-OAHLLOKOSA-N 288.395 1.181 0 50 CDAA COCCn1ccnc1CN(C)C1CCSCC1 216340570 NHTRURQVYSFRHU-UHFFFAOYSA-N 269.414 1.857 0 50 CDAA CNCC(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1 71755168 DKOVWVXTZPIIKX-LBPRGKRZSA-N 286.379 1.797 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2c2cnccn2)c1 283349085 BJDMJDXSEFOSHP-GXTWGEPZSA-N 271.320 1.798 0 50 CDAA CCN(CC(=O)Nc1ccc(C)cc1)[C@H]1CCNC1=O 282327527 LJJARMTZIJHZMC-ZDUSSCGKSA-N 275.352 1.144 0 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UAKJFSBNBPNDMW-NSHDSACASA-N 295.339 1.012 0 50 CDAA Nc1ccc([C@@H](C(=O)O)N2CCSCC2)cc1F 95383888 RXHURBGUNSWDBI-NSHDSACASA-N 270.329 1.582 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)c2cnc(C)nc2)C1 97370472 LLHQGLGBSNHHNM-CYBMUJFWSA-N 262.357 1.341 0 50 CDAA O=C1CS(=O)(=O)c2cc(C(F)(F)F)ccc21 96025025 YDLNWYLUDUKXMY-UHFFFAOYSA-N 250.197 1.675 0 50 CDAA O=C(N[C@@H]1CCNC1)c1cnc(-c2ccncc2)s1 178452842 ZFSWSQCZPWUQCY-SNVBAGLBSA-N 274.349 1.297 0 50 CDAA COc1ccc2c(c1)OC[C@H](CNC(=O)COC(C)C)C2 91807510 XKIROTPMNCLDQF-LBPRGKRZSA-N 293.363 1.788 0 50 CDAA CCn1cc(C(=O)NCCN2CCc3ccccc32)cn1 97572314 UHCVYAZWIFZHAE-UHFFFAOYSA-N 284.363 1.696 0 50 CDAA CCn1cnnc1Cn1cccc(C(F)(F)F)c1=O 95370203 LPVGJBJWSAVTGW-UHFFFAOYSA-N 272.230 1.527 0 50 CDAA Cc1ncc(C(=O)NCC[C@@H]2CCCOC2)c(C)n1 529602001 WDCTUNCAWBGJRS-LBPRGKRZSA-N 263.341 1.640 0 50 CDAA Cc1cc(C)n(CCNC(=O)c2cc(C(C)C)n[nH]2)n1 253414433 XMGXUWYMTMOGRB-UHFFFAOYSA-N 275.356 1.776 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[S@@](=O)C1 257365126 PRDURGTXZLLRFK-LDBIXWDDSA-N 277.389 1.736 0 50 CDAA Cc1cc(CNC(=O)N2CC(=O)N[C@H](C)C2)ccc1F 297325546 GHNVMOUBRTZKJY-SNVBAGLBSA-N 279.315 1.164 0 50 CDAA C[C@H](Cc1cccs1)C(=O)N1CCOC[C@@H]1C(=O)O 299747165 CFZQSLGCRGQMND-MWLCHTKSSA-N 283.349 1.239 0 50 CDAA CCN1CC[C@H](NS(=O)(=O)Cc2cccc(C)c2)C1 359939269 NRSHWVZUGFFTKA-AWEZNQCLSA-N 282.409 1.509 0 50 CDAA CC(C)c1cc(CNC(=O)Cn2nc3ccccc3n2)no1 534651096 VGVPHIYNMNHFOL-UHFFFAOYSA-N 299.334 1.859 0 50 CDAA C[C@H]1CCCN(CCC(=O)NCC2(CO)CCCC2)C1 534637115 YFLXRKIWMXOJDQ-AWEZNQCLSA-N 282.428 1.777 0 50 CDAA CN1C(=O)N(Cc2ccccc2)C2(CCNCC2)C1=O 299786127 PIHLKEWWFVYCAA-UHFFFAOYSA-N 273.336 1.203 0 50 CDAA Cc1nn(CCCNC(=O)Cc2cccnc2)c(C)c1C 299771512 PVUCMGISHABLCE-UHFFFAOYSA-N 286.379 1.952 0 50 CDAA CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(Cl)cc1 299784681 ZXQMGFPUTUZWDI-STQMWFEESA-N 281.787 1.378 0 50 CDAA CC[C@H]1CN(S(=O)(=O)CC2CCCC2)CCN1C 822730770 LEWWHDOBJPFTFH-ZDUSSCGKSA-N 274.430 1.532 0 50 CDAA C1CCCC(CN[C@@H]2CCOC2)(N2CCOCC2)CC1 820408975 NQVBOTFXEFFICD-OAHLLOKOSA-N 282.428 1.790 0 50 CDAA Cc1cnn([C@@H](C)C(=O)N2CCC(c3ncon3)CC2)c1 584888517 GTBTUQCGFYNLOB-NSHDSACASA-N 289.339 1.542 0 50 CDAA Nc1nc(N)c2c(n1)NC(=O)C[C@@H]2c1ccc(F)cc1 670416051 CONHEAUFDLTQEN-MRVPVSSYSA-N 273.271 1.254 0 50 CDAA COc1ncccc1C(=O)NCCN=c1cc[nH]cc1C 670467137 RFGIIMCSSQUOFD-UHFFFAOYSA-N 286.335 1.057 0 50 CDAA CN(Cc1ccccc1)C1CCN(CCn2cnnc2)CC1 670441519 DSGQJGOUDFLUTG-UHFFFAOYSA-N 299.422 1.875 0 50 CDAA CO[C@@H]1C[C@H](O)[C@@H](COC(=O)c2ccc(Cl)cc2)O1 936069271 ITIJMKHDDCOQGX-TUAOUCFPSA-N 286.711 1.619 0 50 CDAA c1ccc(-c2nc(CN3C[C@H]4CCN[C@H]4C3)no2)cc1 1565516306 NLGHEOMKRQFTSW-OLZOCXBDSA-N 270.336 1.530 0 50 CDAA CC(C)c1cc(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)no1 1565513725 METZTVIBZVFTRD-HOTUBEGUSA-N 250.298 1.705 0 50 CDAA CC1(C)OC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1 74938097 BDCQMEKOKHOPOQ-NSHDSACASA-N 279.292 1.845 0 50 CDAA in-vitro C[C@@H](O)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 270764951 NZPGEYSNZSJCCO-GFCCVEGCSA-N 296.798 1.755 0 50 CDAA Cc1cc(CNC(=O)CCc2cscn2)oc1C(=O)O 630328238 ATPOCMYZVVMPHU-UHFFFAOYSA-N 294.332 1.992 0 50 CDAA FC1(F)CCC[C@H]1NCc1cn(C[C@H]2CCOC2)nn1 631135790 DMDBOHXYVKVHSM-ZYHUDNBSSA-N 286.326 1.592 0 50 CDAA CCn1cc(C(=O)NC[C@@H]2CCc3nccn3C2)cn1 275298386 GVPMXGJTEVBKCP-NSHDSACASA-N 273.340 1.092 0 50 CDAA Oc1nccnc1N1CCC[C@@H](Nc2ncc(F)cn2)C1 275657703 UTYWUYIUJFAAJJ-SNVBAGLBSA-N 290.302 1.192 0 50 CDAA CC(C)[C@H]1OCCC[C@@H]1CNC1CCN(C=O)CC1 170088930 ICLNFDGKZGYMEX-UKRRQHHQSA-N 268.401 1.648 0 50 CDAA Cn1nc(CCNC(=O)c2cnsn2)c2ccccc21 170083697 OGHKLALIHNNTQK-UHFFFAOYSA-N 287.348 1.397 0 50 CDAA CCCc1cc(NC(=O)NCc2cocn2)n(C)n1 584908362 CRQPMWAIAYNMPR-UHFFFAOYSA-N 263.301 1.682 0 50 CDAA CCc1nsc(N2CCC[C@@H](c3n[nH]c(=N)o3)C2)n1 585092553 DQCFYPONZOHOLV-SSDOTTSWSA-N 280.357 1.280 0 50 CDAA CO[C@@H](CNCc1nncn1-c1ccccc1)C1CC1 585117676 RDEKCASSGRIYHH-AWEZNQCLSA-N 272.352 1.782 0 50 CDAA CN(C(=O)N=c1ccc(C2CC2)n[nH]1)c1cnn(C)c1 585119994 FGADYRQEICCRRN-UHFFFAOYSA-N 272.312 1.178 0 50 CDAA O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@H]1CC=CCC1 655600323 CQJXTEFDROHWJP-QWHCGFSZSA-N 274.320 1.550 0 50 CDAA CCC(CC)(C(=O)O)C(=O)NC[C@H]1CCCCN1 656852691 DNFWJCHPKKTTTP-SNVBAGLBSA-N 256.346 1.136 0 50 CDAA O=C(O)CN1CCCC[C@H](Nc2ncccc2F)C1=O 1616034905 DDJSFLXGQLSLQM-JTQLQIEISA-N 281.287 1.098 0 50 CDAA CC(C)Cc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(C(C)(C)C)n1 1857728709 NBQLNQODUBNBID-QJPTWQEYSA-N 280.416 1.797 0 50 CDAA COCC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2)cc1C 1506396184 QCODQYCPPPKTIT-CYBMUJFWSA-N 291.351 1.270 0 50 CDAA CN1CCC[C@@H](CCNC(=O)c2ccc(O)cc2F)C1 220507804 UXRYYWWNAJMOQC-NSHDSACASA-N 280.343 1.993 0 50 CDAA N[C@H]1CC[C@H](NC(=O)c2cccc(-c3ncc[nH]3)c2)C1 216397306 SWMFNGTZABULTQ-STQMWFEESA-N 270.336 1.686 0 50 CDAA C[C@H]1CCCCN1CCN(C)c1cncc(C(=O)O)n1 1529095223 OYLUYTXICSDVQH-NSHDSACASA-N 278.356 1.485 0 50 CDAA COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 6099732 OTRHSDALQYFFIV-UHFFFAOYSA-N 277.729 1.377 0 50 CDAA in-vitro COC[C@]1(C(N)=O)CCCN1Cc1ccccc1Cl 643762570 BQXGZJLMCPUXRC-AWEZNQCLSA-N 282.771 1.806 0 50 CDAA CSCC(C)(C)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 241587810 OXHNNKONDPLXPN-RISCZKNCSA-N 287.425 1.782 0 50 CDAA Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCCO[C@@H](C)C1 673739314 PPMNGELBZMMLNE-ZETCQYMHSA-N 291.273 1.988 0 50 CDAA O=C(O)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1800413486 INEASMFLQYHDMZ-MRVPVSSYSA-N 268.338 1.169 0 50 CDAA Cc1c(CN(C)C[C@H]2CCC(=O)N(C)C2)cnn1C 1775980693 HOLPZTFDRAENTF-GFCCVEGCSA-N 264.373 1.029 0 50 CDAA CN(C)c1nc(NCCCNc2cccnc2)ncc1F 1772704719 PAKCPSSCXVVRQW-UHFFFAOYSA-N 290.346 1.991 0 50 CDAA CCOc1cc(C)c(C)cc1S(=O)(=O)N(C)C 12291725 ARANSISVQGGGBC-UHFFFAOYSA-N 257.355 1.952 0 50 CDAA COCCC(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 12315346 XLBSDQUNZSYHLB-LLVKDONJSA-N 278.356 1.073 0 50 CDAA COC(=O)c1ccc(NC(=S)NN2CCOCC2)cc1 13556516 UAWYUNOBPBCCGX-UHFFFAOYSA-N 295.364 1.007 0 50 CDAA O=c1c(=N\Nc2ccccc2)/c(=N\O)c2ccccc12 16511487 YKJRWFUNAAWRQK-KSZVWNROSA-N 265.272 1.293 0 50 CDAA O=C(CF)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 19227952 ZXHZRHSEGRLGDL-SSDOTTSWSA-N 293.553 1.101 0 50 CDAA Cc1cccc(CS(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)c1 237326372 DHMHMTQVPHPJDA-HIFRSBDPSA-N 296.436 1.884 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(Cc1cccc(C(=O)O)c1)C2 1875247613 YJPAVGWUEUMWDC-ZFWWWQNUSA-N 290.363 1.147 0 50 CDAA CC(C)N(Cc1ccccc1)S(=O)(=O)N(C)C 30494 HYUWDCCCZAIULD-UHFFFAOYSA-N 256.371 1.703 0 50 CDAA Cc1cnc(C(=O)N2CCO[C@]3(CCCOC3)C2)c(O)c1 329191788 SMEOQHIMXOGRMM-OAHLLOKOSA-N 292.335 1.117 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)ns1 335665309 YKQHYOFINIIFNZ-SKDRFNHKSA-N 279.365 1.239 0 50 CDAA C[C@H]1C[C@@H](Nc2ccn(CCC(N)=O)n2)CC[C@H]1C 134812159 RFWUWVXZBDGAHS-WOPDTQHZSA-N 264.373 1.995 0 50 CDAA COC(=O)[C@@H]1CCn2c(Cc3ccccc3F)nnc2C1 260580585 XYZUKYOIVAOLBN-LLVKDONJSA-N 289.310 1.743 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1C[C@H]1C(=O)O 581919704 QXJGBXSSEBQMBL-RKDXNWHRSA-N 273.292 1.242 0 50 CDAA COc1cccc([C@@H](C)C(=O)N2CCC[C@@H](N)C2)c1 157855990 OPYIJWUQUAEWCE-DGCLKSJQSA-N 262.353 1.748 0 50 CDAA Cc1ocnc1CNCc1cnc2c(c1)c(C)nn2C 397976285 KSDZDKXKILPHCJ-UHFFFAOYSA-N 271.324 1.863 0 50 CDAA Cn1cncc1Cc1noc(C(F)(F)C2CCNCC2)n1 904648439 HOJAYZAGYLAZTH-UHFFFAOYSA-N 297.309 1.485 0 50 CDAA Cc1cc(C)nc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1 1704312529 SYDJOGTXSDJTMR-NVXWUHKLSA-N 289.423 1.981 0 50 CDAA O[C@H](CN[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(F)cn1 819162249 GLKLKZKXPWSUCZ-MXYBEHONSA-N 280.343 1.801 0 50 CDAA CS(=O)(=O)c1ccc(-c2cccc(CC(=O)O)c2)nc1 1242262375 PWYRKQBYGBLLKF-UHFFFAOYSA-N 291.328 1.779 0 50 CDAA O=C(NC[C@H]1[C@H](c2ccccc2)C1(F)F)c1nc[nH]n1 831892459 ZGIMRMRDDRCDKJ-UWVGGRQHSA-N 278.262 1.583 0 50 CDAA Cn1nc(O)c2c1CN(CCc1cncs1)CC2 931193635 HKKUKMHNBTVSOX-UHFFFAOYSA-N 264.354 1.183 0 50 CDAA Cn1nnc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 236144161 PMSQRUPIIZKJEZ-XQQFMLRXSA-N 279.388 1.116 0 50 CDAA C[C@@H]1CCN[C@@H](C(=O)N2CCC(CC(=O)O)CC2)C1 127419053 AGHFBRLPQUFSJB-ZYHUDNBSSA-N 268.357 1.088 0 50 CDAA C[C@H](N)[C@H]1CCCN(c2nnc(-c3ccon3)s2)C1 1875282262 VMRPHGCNFUEMDV-IUCAKERBSA-N 279.369 1.757 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CCO1 1875311261 RTUHRTVIGWMDGI-HRSIUBJKSA-N 267.325 1.027 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CC(C(F)F)C2)CC1 1875369563 VXRNBSBEPAUZQU-UHFFFAOYSA-N 272.295 1.135 0 50 CDAA C=CC(=O)NCCC(=O)NCc1ccc(C(F)(F)F)o1 1875367578 QGZYTNXXKWKSJF-UHFFFAOYSA-N 290.241 1.607 0 50 CDAA CC1CCC(N2CCN(CCOCCO)CC2)CC1 19636376 WMNULLWCFTYVNE-UHFFFAOYSA-N 270.417 1.192 0 50 CDAA N[C@]12CCC[C@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2 1775960804 UQVBTYYXNOMBGZ-NHYWBVRUSA-N 270.336 1.516 0 50 CDAA COc1ccc(-c2cn(Cc3cc(=O)c(O)co3)nn2)cc1 1776003975 FUBPDYDFYLUEMW-UHFFFAOYSA-N 299.286 1.661 0 50 CDAA C[C@H]1COC[C@H](C)N1C(=O)c1ccc(C(=O)O)o1 237636389 ZRWPFEUAEQETLT-YUMQZZPRSA-N 253.254 1.227 0 50 CDAA CCNC(=O)c1ccc(NC(=O)C2(C(=O)O)CC2)cc1 154805103 XPZNBSNIXFACBI-UHFFFAOYSA-N 276.292 1.240 0 50 CDAA COc1cc(OC)nc(N2CCC[C@@H](CC(=O)O)C2)n1 159744254 FFLXKRJMCFGQKT-VIFPVBQESA-N 281.312 1.185 0 50 CDAA Cc1ccc(C(=O)NC[C@@](C)(O)C(F)(F)F)c(O)n1 270916901 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Cc1cnc(CN(C)C(=O)c2ccc(F)cc2O)[nH]1 693468070 QRXZVPPPBJJWEP-UHFFFAOYSA-N 263.272 1.835 0 50 CDAA CC1(CNC(=O)[C@@H]2C[C@@H]3C[C@@H](N)[C@@H]3C2)CC(F)(F)C1 1615001521 SRLRCDWLEBCSAX-GWOFURMSSA-N 272.339 1.911 0 50 CDAA C[C@@H](NC(=O)c1ccn(CC(F)(F)F)n1)c1ncon1 1615591434 XITYIRYQXONGNL-ZCFIWIBFSA-N 289.217 1.319 0 50 CDAA O=C1NC[C@@H](Cc2ccccc2)C(=O)N1Cc1ccncc1 1615586610 PQLJDBYOAPZYJJ-OAHLLOKOSA-N 295.342 1.992 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1cncc(C(F)(F)F)c1)C2 1615545428 HPDSIPJQJDYYPW-SQLBVSGCSA-N 285.269 1.710 0 50 CDAA Cn1nc(-c2ccncc2)cc1C(=O)NC1CC2(C1)C[C@H]2N 1615545245 FMXLBOZVQHQMDW-OFWKBQFLSA-N 297.362 1.092 0 50 CDAA O=C(C1CCC1)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616073922 VGEFYZQATKRKBQ-JSGCOSHPSA-N 260.337 1.244 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)[C@H]1CC12CCNCC2 1506422989 BRSDNMVZVBKSOW-GFCCVEGCSA-N 276.384 1.619 0 50 CDAA CCCCN(CC(=O)O)S(=O)(=O)c1ccc(C)cc1 2572936 GQVOZCNITUJKQZ-UHFFFAOYSA-N 285.365 1.870 0 50 CDAA CCn1ncnc1[C@H](C)Nc1ccc(C(=O)N(C)C)cn1 1704277905 NOYPLZNHJMBTMV-JTQLQIEISA-N 288.355 1.568 0 50 CDAA Cc1nsnc1C(=O)N1CCc2c(O)cccc2C1 1857686913 HVFOTLIZSOMIHA-UHFFFAOYSA-N 275.333 1.751 0 50 CDAA C[C@H]1CCCCN1C1CN(C(=O)c2cnsc2)C1 1857694737 IWDSGVBVNTTWKV-JTQLQIEISA-N 265.382 1.842 0 50 CDAA CNC(=O)Cn1cc(NCc2cc(F)ccc2C)cn1 226509156 FHXDXVYNVBJGEZ-UHFFFAOYSA-N 276.315 1.689 0 50 CDAA C[C@H]1CCCN(C(=O)CCOC2CCOCC2)[C@H]1CN 237689079 UGJUZCQOOHIFTC-JSGCOSHPSA-N 284.400 1.158 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC1(F)F 334620316 OCJLEKXAXZKCFR-DTWKUNHWSA-N 260.284 1.015 0 50 CDAA Cc1ncc(CN(CCN(C)C)C(=O)C[C@H]2C=CCC2)[nH]1 1772702414 RVOKXNPEWGRMBP-AWEZNQCLSA-N 290.411 1.965 0 50 CDAA COc1nc(N2Cc3ccccc3[C@@H](O)C2)ncc1F 1772702682 XHPWTYNSHXYPJN-LBPRGKRZSA-N 275.283 1.678 0 50 CDAA O=C(COc1ccc(F)cc1)N1CCC[C@@H](C2(O)CC2)C1 1772807631 ZUVIIBVKPSFHGX-GFCCVEGCSA-N 293.338 1.968 0 50 CDAA COCCNc1nc2nonc2nc1NCC(F)(F)F 11842447 UKSVLICLDMVKHR-UHFFFAOYSA-N 292.221 1.045 0 50 CDAA Cc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1 14252161 SGQASUMXPUSQJA-UHFFFAOYSA-N 268.382 1.368 0 50 CDAA O=C(Nc1ncccn1)c1c(O)[nH]c2ccccc2c1=O 18325170 BLSPBFWAEBMEKU-UHFFFAOYSA-N 282.259 1.276 0 50 CDAA Nc1cncc(N2CCO[C@@H](c3ccccn3)C2)n1 1857675101 LAVNGMAAMQLVIT-LLVKDONJSA-N 257.297 1.032 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)NC[C@@H](O)C1CCCCC1 407965243 LGBWZXMEIYAEBX-OIMNJJJWSA-N 269.385 1.857 0 50 CDAA O=S(=O)(Nc1cnc[nH]1)c1ccccc1Cl 225529996 CFAAJRWYGSPVOI-UHFFFAOYSA-N 257.702 1.864 0 50 CDAA CNCCCC(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 237127109 RQXOPNJHHWUJCL-ZNMIVQPWSA-N 297.443 1.086 0 50 CDAA COc1cc2nc(-c3cncc(O)c3)[nH]c(=N)c2cc1OC 1875241028 MAPZXQUVSIFNRX-UHFFFAOYSA-N 298.302 1.827 0 50 CDAA COC(=O)[C@H]1CCc2nnc(Cc3ccccn3)n2CC1 601043521 CKDJHBANQFCUSA-NSHDSACASA-N 286.335 1.389 0 50 CDAA O=C(c1ccnc(OC2CCC2)c1)N1CC[C@@H](CO)C1 305683596 NUAPHHKQWISNSZ-LLVKDONJSA-N 276.336 1.467 0 50 CDAA NC(=O)[C@H]1CCCC[C@H]1NC(=O)CCCc1nccs1 225805339 QBCIUYKQVRZJFE-WDEREUQCSA-N 295.408 1.626 0 50 CDAA c1ccc(N2CCOCCOCCOCCOCC2)cc1 4015982 SGDQOAKAHLFKBV-UHFFFAOYSA-N 295.379 1.573 0 50 CDAA in-vitro CC(C)CN1CC[C@@H](C(=O)N2CCC[C@H]2C(=O)O)C1 236784897 QYWYWHBTANUTGW-NEPJUHHUSA-N 268.357 1.040 0 50 CDAA COc1ccc(CC(=O)N2CC[C@@H](N)C2)c(Cl)c1 237175385 IBILYQPHGBOEIS-SNVBAGLBSA-N 268.744 1.451 0 50 CDAA OCc1nc2cc(Cl)ccc2n1CCN1CCOCC1 16579110 QBJIPNLDEXRYGK-UHFFFAOYSA-N 295.770 1.514 0 50 CDAA COc1cccc(C[C@@H](C)NC(=O)[C@@H]2CSCN2)c1 360187283 GAXXVJPQJLKQGI-MFKMUULPSA-N 280.393 1.405 0 50 CDAA O=C(CCCOc1ccccc1)N1CC[C@H](CO)[C@H](O)C1 577697721 FYNZTGNWHSRNLG-UKRRQHHQSA-N 293.363 1.047 0 50 CDAA C[C@@H](C(=O)NC1CC1)N1CCO[C@@H](c2cccc(F)c2)C1 263865857 BSBSWKOAMGBGAZ-XHDPSFHLSA-N 292.354 1.866 0 50 CDAA CCC(=O)N1CCCC[C@@H]1C(=O)NCc1ncccc1C 264113560 CDXORPGUTYLIJV-CQSZACIVSA-N 289.379 1.797 0 50 CDAA CCC1(O)CCN(C(=O)c2cnc3n[nH]c(C)c3c2)CC1 266148134 MUKCKAXZDUZKCO-UHFFFAOYSA-N 288.351 1.643 0 50 CDAA CCc1cc(NC(=O)c2cnc(N(C)C)cn2)nc(C)n1 903623667 HKSBHEVPULILOR-UHFFFAOYSA-N 286.339 1.456 0 50 CDAA C[C@@H](C(=O)N1CCc2nc[nH]c2C12CCC2)c1cncnc1 829071044 RVYLIGNHZJJJRQ-LLVKDONJSA-N 297.362 1.767 0 50 CDAA O=C(NC1(CO)CCSCC1)c1nccc2[nH]ccc12 854912427 NGSAXKFAKJPNQE-UHFFFAOYSA-N 291.376 1.551 0 50 CDAA O=C1C[C@@H](c2nc(-c3cncnc3)no2)CN1C1CCCC1 858802426 FNWRMHFRAVZLBN-SNVBAGLBSA-N 299.334 1.785 0 50 CDAA O=C(O)c1cccnc1N1CC[C@@H]2C[C@H](O)CC[C@H]2C1 1875266547 ODWXQCYIJJVAIJ-GRYCIOLGSA-N 276.336 1.767 0 50 CDAA O=S(=O)(CC[C@@H]1CCCO1)NCc1cc(C2CC2)n[nH]1 1875297810 DTDOIBGNUSGUBZ-LBPRGKRZSA-N 299.396 1.276 0 50 CDAA CC(C)(CNC(=O)[C@@H]1CCC[C@H]2CCCN21)N1CCCC1 1875295774 QBFAPKPHXIWUEE-GJZGRUSLSA-N 293.455 1.994 0 50 CDAA CN(Cc1cccc(O)n1)C(=O)N[C@@H]1C[C@H]1C(F)(F)F 1875276690 PNOPCUDANJZYDK-RKDXNWHRSA-N 289.257 1.879 0 50 CDAA O=C(CCc1cccc(O)n1)N1C[C@@H]2CCC[C@@H](O)[C@H]2C1 1875312009 GAKDSVJDMDVNOO-FPMFFAJLSA-N 290.363 1.339 0 50 CDAA COc1c(N)nc[nH]c1=NCCN(C)c1cccc(C)c1 1875336017 PUPQSJYOABLIKJ-UHFFFAOYSA-N 287.367 1.346 0 50 CDAA COc1ccc2c(c1)[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)CC2 886096748 CHQIUEQIQFZQIT-YYIAUSFCSA-N 299.374 1.843 0 50 CDAA CCC(CC)[C@@H]1C[C@@H](NC(=O)NN2CCCC2=O)CCO1 888097691 YQLUCMWYVAKZEA-STQMWFEESA-N 297.399 1.807 0 50 CDAA CCn1nnc(C)c1C(=O)N1CCc2ncccc21 888142450 WRRRMQNESLEKPT-UHFFFAOYSA-N 257.297 1.204 0 50 CDAA Cc1nc(CC(=O)N2COCC[C@@H]2c2ccccc2)n[nH]1 888195676 ZHKKFVMKYWBUMD-CYBMUJFWSA-N 286.335 1.603 0 50 CDAA Cc1nnc([C@H]2C[C@@H](O)CN2C[C@@H]2CC=CCC2)o1 1775957629 FGZBTLSEXUTKBB-JHJVBQTASA-N 263.341 1.842 0 50 CDAA Cc1ccc2c(c1)sc(=O)n2S(=O)(=O)N(C)C 1775954747 FLKAUPMNALNEAE-UHFFFAOYSA-N 272.351 1.026 0 50 CDAA C[C@@H](O)C(=O)Nc1cccc([C@H](O)C(F)(F)F)c1 1776007063 LAXOEKLVFJZXAP-MUWHJKNJSA-N 263.215 1.602 0 50 CDAA C[C@H](C(=O)O)N1CCO[C@H](c2cccc(F)c2)C1 265220011 GMTSRWHCMMKAPX-SKDRFNHKSA-N 253.273 1.672 0 50 CDAA CCn1c(C)nnc1CN1C[C@@H](COC)OC(C)(C)C1 330508657 AQAJVTPQJOUICY-LBPRGKRZSA-N 282.388 1.232 0 50 CDAA c1cnn(-c2cc(NCC[C@H]3CCCOC3)ncn2)c1 534642901 MGZUNFKNZNRCRH-GFCCVEGCSA-N 273.340 1.891 0 50 CDAA COc1ccccc1N(C)C(=O)[C@@H](C)O[C@H](C)C(=O)O 634864530 NTMIBABDEFMXIN-NXEZZACHSA-N 281.308 1.536 0 50 CDAA CCN1C[C@@H](N[C@H]2CCCc3c2cnn3C)CC1=O 333547244 LZCNVHIMMLIYAJ-JQWIXIFHSA-N 262.357 1.008 0 50 CDAA CC(C)[C@H](N)C(=O)N1CCO[C@@H](c2ccco2)C1 335915009 AFNIRSOIMKTKKR-NEPJUHHUSA-N 252.314 1.163 0 50 CDAA O=c1cnc2ccccc2n1Cc1cncn1C1CC1 95368593 JSVKXPATDLZSNK-UHFFFAOYSA-N 266.304 1.976 0 50 CDAA Cc1cc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)no1 710819584 IGDXXTRPLPAXGQ-LURJTMIESA-N 266.175 1.118 0 50 CDAA CCN1CCC(Nc2cc(C(=O)O)ncn2)CC1 387216081 KOQISCXAJPOTDD-UHFFFAOYSA-N 250.302 1.071 0 50 CDAA Cc1cccc(NCC2(S(N)(=O)=O)CCC2)n1 721536052 RNKMZKCTLCORLH-UHFFFAOYSA-N 255.343 1.013 0 50 CDAA Cc1cc(N)nc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 871101505 QMUKOCGIVORDSO-YUSALJHKSA-N 260.341 1.737 0 50 CDAA COc1ncccc1-c1nc(C(F)(F)F)n(C)n1 2100473717 UXRJCBHPRNKGJP-UHFFFAOYSA-N 258.203 1.905 0 50 CDAA NC(=O)[C@H](OC(=O)c1cn2ccccc2n1)c1ccccc1 821698006 BGFGVQRVOUTVOD-CQSZACIVSA-N 295.298 1.718 0 50 CDAA CN(Cc1nc(O)n[nH]1)[C@H]1C[C@H](c2ccccc2)C1 2325771956 FWDJXUDAXGWSLY-HAQNSBGRSA-N 258.325 1.888 0 50 CDAA O=C(NCC1OCCO1)c1oc2ccccc2c1CO 2325810456 LPONHBYSIPDVDM-UHFFFAOYSA-N 277.276 1.028 0 50 CDAA NCCN(Cc1ccccc1)Cc1n[nH]c2c1COCC2 903743316 IKWFMGCRIXVHLE-UHFFFAOYSA-N 286.379 1.443 0 50 CDAA CNC(=O)c1cc(C)ccc1I 85138 RWHGKZJLXUMOQU-UHFFFAOYSA-N 275.089 1.959 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)NCc1ccccn1 615621 AHPFJJNDGJIPRZ-UHFFFAOYSA-N 292.360 1.877 0 50 CDAA CCOCCC(=O)Nc1n[nH]c2cccc(N(C)C)c12 2356136791 KCACIPRMKYNOOY-UHFFFAOYSA-N 276.340 1.994 0 50 CDAA COc1ccc(NC(=S)NCCCN(C)C)cc1 2817854 GHYLIYAPNWFHNT-UHFFFAOYSA-N 267.398 1.933 0 50 CDAA Cc1nnc(SCC(=O)Nc2nccs2)o1 6729540 KADQIYVZTOIHBQ-UHFFFAOYSA-N 256.312 1.565 0 50 CDAA COc1ccccc1CCNC(=O)[C@@H]1C[C@H]1C(=O)O 224722354 CIABMCSBMHBJRJ-GHMZBOCLSA-N 263.293 1.075 0 50 CDAA CC(C)c1nnc(C(=O)N[C@H](C)c2ncc[nH]2)s1 225837579 YUHMBTDXHDLWNE-SSDOTTSWSA-N 265.342 1.876 0 50 CDAA COCCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O 347736940 LBOBDUAKIPSUJK-GUTXKFCHSA-N 269.385 1.955 0 50 CDAA COCCNC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1 115779842 HVQNOLCYMMMXBL-OAHLLOKOSA-N 291.395 1.943 0 50 CDAA O=C1OI(=O)(O)c2ccccc21 58492540 CQMJEZQEVXQEJB-UHFFFAOYSA-N 280.017 1.237 0 50 CDAA in-vitro O=C(NCCCn1ccccc1=O)c1cc(C2CC2)[nH]n1 57588175 UXOOAGVJYAUYDK-UHFFFAOYSA-N 286.335 1.269 0 50 CDAA CC(=O)c1cc(CC(=O)N2CC[C@@H](CN)C2)cs1 67784250 SWRRTVNDJZQPJZ-JTQLQIEISA-N 266.366 1.300 0 50 CDAA Cc1noc(C)c1CC(=O)NCCc1cn2ccccc2n1 25527450 YTMWBQJCIURUGJ-UHFFFAOYSA-N 298.346 1.841 0 50 CDAA CCOC(=O)CN1CC[C@@H](n2nc(C)cc2C)C1 67755445 VMGAXURLRBPIAE-GFCCVEGCSA-N 251.330 1.310 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1)N2c1ccc(C(F)(F)F)cn1 65388211 MRNWVFMALKAGDJ-ZJUUUORDSA-N 285.269 1.958 0 50 CDAA COCC1(C(=O)N(Cc2nccn2C)C2CC2)CCC1 65493623 APQDOIDBVOIEDB-UHFFFAOYSA-N 277.368 1.728 0 50 CDAA CCN(C(=O)Cn1cn[nH]c1=O)c1ccc2[nH]ccc2c1 252499859 SGUVVCHJAJCSRA-UHFFFAOYSA-N 285.307 1.106 0 50 CDAA CC(=O)Nc1nonc1NC(=O)CSc1ccccn1 112695 UAHGNNSDJVUDCF-UHFFFAOYSA-N 293.308 1.154 0 50 CDAA OCc1ccc(-c2nccn2CCn2cccn2)o1 71751938 FNDUHNVAFGPFJD-UHFFFAOYSA-N 258.281 1.532 0 50 CDAA CSc1cccc(CN(C)C(=O)C[C@H]2COCCN2)c1 72168001 BSPQLVGZTLDGOA-ZDUSSCGKSA-N 294.420 1.745 0 50 CDAA CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCCO1 328622934 IUKRVWFITUVTBA-ZYHUDNBSSA-N 265.313 1.145 0 50 CDAA CC[C@H](C)CN1C(=O)[C@H](Cc2cn(C(C)C)nn2)N=C1O 328609392 DCIKPTCZQKCUAR-JQWIXIFHSA-N 293.371 1.572 0 50 CDAA CCc1ccc(CN2CCC[C@H]2c2nc(C(N)=O)no2)o1 328624873 CRYQCHOLHRSGBL-NSHDSACASA-N 290.323 1.661 0 50 CDAA Cc1nnc(SCCNC(=O)c2c(C)noc2C)s1 219715651 DRJCOGBRMCQVEP-UHFFFAOYSA-N 298.393 1.973 0 50 CDAA CC1CCC(C)(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 151643451 UQZHELJSQNDHCV-HFXYEQLZSA-N 297.399 1.287 0 50 CDAA COc1nc(C)cc(N[C@@H](Cc2ccccc2)C(=O)O)n1 257639413 ATYSXRPNFCABQA-LBPRGKRZSA-N 287.319 1.901 0 50 CDAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1CCCNC1 153560828 HXMAHJBDPDOKRG-MFKMUULPSA-N 282.771 1.489 0 50 CDAA N#Cc1cccn(Cc2cc3ccccc3c(=O)[nH]2)c1=O 154893137 YOTKFAUWGAQORP-UHFFFAOYSA-N 277.283 1.610 0 50 CDAA O=S1(=O)CCC[C@H](CN2CC(c3cccnc3)C2)C1 71738447 GVTOPUFGHARZGY-GFCCVEGCSA-N 280.393 1.306 0 50 CDAA COC[C@]1(C(=O)Nc2nc(C)cs2)CCNC1 261549289 KIEQZHTZYHLXQV-NSHDSACASA-N 255.343 1.016 0 50 CDAA Cc1ccc(C(N)=O)c(N[C@@H](C)c2ccncn2)n1 32533039 RHNJSZIKGVNWAU-VIFPVBQESA-N 257.297 1.452 0 50 CDAA CC[C@]1(C)CC(=O)N(Cc2nnc3n2CCCC3)C1=O 333369779 ZFQSXVBRTXXHLD-CQSZACIVSA-N 276.340 1.290 0 50 CDAA CCc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)s1 237065014 KUWHGNBWNDLMJA-UHFFFAOYSA-N 298.364 1.411 0 50 CDAA Cc1nc(N)sc1C(=O)N[C@@H](C)Cc1cnccn1 216384761 RECCKGVCDSVLNX-ZETCQYMHSA-N 277.353 1.185 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1cc2ccccc2o1 261871692 DEPOPSVLDUDWSK-ABAIWWIYSA-N 288.347 1.768 0 50 CDAA O=C(C[C@H]1C=CCCC1)N[C@H]1CCc2nnnn2CC1 333732129 LCVFHAZBIPHZCF-RYUDHWBXSA-N 275.356 1.241 0 50 CDAA NC[C@H]1CC[C@@H](NC(=O)N2Cc3ccccc3CO2)C1 333716661 TYCLPGFOTFOFDK-SMDDNHRTSA-N 275.352 1.771 0 50 CDAA C[S@](=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)O)c1 261989172 CRAAUIIGCAXIDM-FDMGOTLNSA-N 281.333 1.473 0 50 CDAA CCc1ccc(C(=O)N[C@H](C)C(=O)NCCF)cc1 282495374 YOFGTXDIQNNZLE-SNVBAGLBSA-N 266.316 1.453 0 50 CDAA Cn1nccc1NC(=O)N1CC[C@@H](CN2CCCCC2)C1 157638218 UWAYJLJABKSLRJ-ZDUSSCGKSA-N 291.399 1.760 0 50 CDAA O[C@@]1(c2c[nH]nn2)CCN(Cc2cccc(Cl)c2)C1 285676011 ZNEBARVYCPIYRC-ZDUSSCGKSA-N 278.743 1.552 0 50 CDAA Cn1cc(-c2cccc(CN[C@@]3(CO)CCOC3)c2)cn1 376892454 JRNGYWPKTWUCTP-MRXNPFEDSA-N 287.363 1.328 0 50 CDAA CCOC(=O)CN(C(=O)[C@@H]1CCO[C@H](C)C1)C(C)(C)C 240321568 FAKUBZIGIXOLBF-VXGBXAGGSA-N 285.384 1.992 0 50 CDAA CSCC(=O)N(C)Cc1nc(-c2ccncc2)no1 82115908 BWGVPBHOVLNQFE-UHFFFAOYSA-N 278.337 1.453 0 50 CDAA COCC(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 240912221 IWPAQYBXBISKFK-SECBINFHSA-N 282.727 1.208 0 50 CDAA COc1cccc(CC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1 220318783 FOBYTMJLVJDOAC-RDBSUJKOSA-N 261.321 1.531 0 50 CDAA C[C@@H]1CCC[C@H]2CCCN(CCN3CCNC3=O)[C@H]21 242100105 WEIVKEJJXIIWAS-RDBSUJKOSA-N 265.401 1.912 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 178270302 FFAZFUSMNCXJPS-LBPRGKRZSA-N 285.303 1.419 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)c3ccccc3C(=O)O)C2)n1 426477793 WNQOEWAEHZYSQI-UHFFFAOYSA-N 299.330 1.895 0 50 CDAA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)CC1Cc2ccccc2C1 223701751 KIDAEPLFWNHYQK-XLNGHYISSA-N 286.375 1.022 0 50 CDAA COc1ccc(/C(C)=C/C(=O)N2CC[C@H](CN)C2)cc1 178544475 YTUXGPMBHSTNHM-CNELAYHGSA-N 274.364 1.906 0 50 CDAA CC[C@H](NC(=O)c1cccc(F)c1O)C1CC(O)C1 222863362 UQBYCLQEKSMTSU-KWPJZBAWSA-N 267.300 1.811 0 50 CDAA COCC1(NC(=O)[C@@H](C)n2ccnc2C)CCCC1 426415677 VDNKPHQDGAPPKP-LLVKDONJSA-N 265.357 1.828 0 50 CDAA Cc1cc(CNC(=O)c2cc(=O)cc(C)o2)ccn1 221165308 RZQBTNOSPLCJQU-UHFFFAOYSA-N 258.277 1.582 0 50 CDAA O=C(NCc1nccs1)N1CCCC[C@@H]1CO 426685233 DDODJNKMKYGRNS-SECBINFHSA-N 255.343 1.200 0 50 CDAA CC[C@H](O)Cn1ncnc1CN(C)Cc1cccnc1 91706500 OXOUXRCZWIGHQR-ZDUSSCGKSA-N 275.356 1.076 0 50 CDAA COc1ccnc(CN(C)C(=O)c2n[nH]c3c2CCC3)c1 426399020 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O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CCOC1 66920577 JVZXKNPDLBALEH-ZDUSSCGKSA-N 271.320 1.906 0 50 CDAA O=C(O)c1cnc2ccc(Br)cn2c1=O 22170452 NYYKIVIYLMKAHH-UHFFFAOYSA-N 269.054 1.155 0 50 CDAA Cc1ccc(CC(=O)NCCCN2CCOCC2)cc1C 65363543 DHKWLOQFHJBTAG-UHFFFAOYSA-N 290.407 1.684 0 50 CDAA O=C(CNCCC1=CCCCC1)Nc1cnccn1 65396159 OGONCINQCPHYOX-UHFFFAOYSA-N 260.341 1.895 0 50 CDAA Cc1sc(S(C)(=O)=O)c(C(=O)O)c1Br 251272 BXYOJHSONWIDES-UHFFFAOYSA-N 299.167 1.921 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CCN3CCCC[C@@H]23)c(=O)[nH]1 229605590 KSUQHXVVULWXNJ-STQMWFEESA-N 275.352 1.040 0 50 CDAA CCc1ccc(CCNC(=O)C[C@@H]2CNCCO2)cc1 216010183 KXRWYIBZAZEQRP-OAHLLOKOSA-N 276.380 1.286 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@H](C)C2CCN(C)CC2)o1 219932775 SLLPSBFHZLDYLX-LLVKDONJSA-N 278.352 1.408 0 50 CDAA CCn1cnnc1[C@@H]1CN(Cc2cccnc2C)CCO1 328631372 KLMSZFOCJRVBNJ-AWEZNQCLSA-N 287.367 1.575 0 50 CDAA Cn1nccc1CN1CC(=O)N(Cc2ccccc2)C1 355192297 GASHVBOTSICMQM-UHFFFAOYSA-N 270.336 1.222 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@@H](C)[C@H]2CN)cn1 429139015 WWWKSUIDENSBJO-BXUZGUMPSA-N 261.369 1.518 0 50 CDAA Cc1ccc(F)c(C(=O)NC2(C(=N)O)CCOCC2)c1 335229931 BJXKRLLNJMGTTD-UHFFFAOYSA-N 280.299 1.948 0 50 CDAA Cn1nc(C(=O)O)c2c1CN(C(=O)OC(C)(C)C)CC2 257874573 AVGGLDVFEGDBHZ-UHFFFAOYSA-N 281.312 1.412 0 50 CDAA O=C(C(=O)N1CC(OC(F)F)C1)c1ccc(F)cc1 437593928 OVPBIEQSDKCTAR-UHFFFAOYSA-N 273.210 1.458 0 50 CDAA COCc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)ccc1F 153291597 HREOTJNQQADBCA-QWRGUYRKSA-N 280.343 1.795 0 50 CDAA CC(C)C[C@H]1NC(=O)[C@H](COCc2ccccc2)NC1=O 212657700 ZONHFIKOXHRRIE-KGLIPLIRSA-N 290.363 1.233 0 50 CDAA CCCc1ccc(CN2CCOC[C@H](CO)C2)o1 77321201 GPEMVFDNMIYGGF-LBPRGKRZSA-N 253.342 1.673 0 50 CDAA CCC[C@](C)(NCc1cnc(OC)nc1C)C(=O)OC 337196195 WFGYWFOBGACQPL-AWEZNQCLSA-N 281.356 1.615 0 50 CDAA Cn1ccc2c(-c3cc(N4CCOCC4)ncn3)ccnc21 72165512 GTRFWMQZCRBRIQ-UHFFFAOYSA-N 295.346 1.867 0 50 CDAA O=C(NC[C@H]1CCCCN1C1CC1)[C@H](O)C1CCC1 333268278 CAIXJMFFYSUKRN-ZIAGYGMSSA-N 266.385 1.281 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)CCN1CCCC1 76320000 OTHBXYOQVQHEOB-NSHDSACASA-N 278.400 1.700 0 50 CDAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@@H](C)C(=O)O)CO2 262892266 NXJLPEMUQRTZOK-GXSJLCMTSA-N 293.319 1.178 0 50 CDAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ncccc1F 284656389 VSEMYYIUIHXOMX-ZLDLUXBVSA-N 280.343 1.977 0 50 CDAA COCCN1C[C@@H](Cc2ccc(OC)cc2)CC1=O 222639551 PYWAMLOPDGEIRQ-ZDUSSCGKSA-N 263.337 1.733 0 50 CDAA O=C(O)c1ccc2nnc(NCc3ccccn3)n2c1 40449851 GXXGUJJWPOYMQY-UHFFFAOYSA-N 269.264 1.435 0 50 CDAA COC1(c2nc(CC(F)(F)F)no2)CCNCC1 225747394 AVCUTTRNEDBHDQ-UHFFFAOYSA-N 265.235 1.400 0 50 CDAA Cc1nc(CN(C)C(=O)c2csc(O)n2)cs1 329919521 RQAMMLOZBGMXPC-UHFFFAOYSA-N 269.351 1.886 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2cccc(F)c2F)[C@@H]2CCO[C@@H]21 222760948 YMMKXCQPJNPYQG-NUZBWSBOSA-N 297.301 1.745 0 50 CDAA Cc1c(CNC(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cnn1C 426433602 IJOQYOGJUGVJFS-CUFDPUGPSA-N 288.395 1.916 0 50 CDAA CCO[C@H](CC)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 531743341 YZWRSTWMYXKMJH-GHMZBOCLSA-N 269.341 1.515 0 50 CDAA O=C(NCC1(Cn2cccn2)CC1)[C@H]1CC[C@@H](C(=O)O)C1 426668469 SYHYZJMTAUSJSF-NWDGAFQWSA-N 291.351 1.280 0 50 CDAA Cc1n[nH]c(C)c1CCc1nc([C@H]2CCOC2)no1 96141080 YLDSGSPRGCJVLE-JTQLQIEISA-N 262.313 1.699 0 50 CDAA O=C(c1ccnn1CCO)N1CCCCCCC1 426599547 KHZPXJSCBDYATN-UHFFFAOYSA-N 251.330 1.282 0 50 CDAA CN1CCN(C(=O)NC[C@H]2COc3ccccc3C2)CC1 92061844 HLPODZOFZRNNTJ-ZDUSSCGKSA-N 289.379 1.195 0 50 CDAA Cc1nn(C)c2nc(NCC(=O)N3CCCC3)sc12 96149403 XQBXMZSKAHYKPY-UHFFFAOYSA-N 279.369 1.373 0 50 CDAA CN(C[C@@H]1CCCN1C)C(=O)Cc1ccsc1 421705293 QZABCFARVJMFSA-LBPRGKRZSA-N 252.383 1.843 0 50 CDAA Cc1nnc(N2CCN(C3CCSCC3)CC2)o1 95354805 YAHGUFAOJRNMLE-UHFFFAOYSA-N 268.386 1.396 0 50 CDAA OCCOc1ccccc1CN1CCC[C@H]1CCO 97468693 QLCNFAOUSGXVPK-AWEZNQCLSA-N 265.353 1.405 0 50 CDAA COCCc1noc([C@@H](C)Nc2nc(N)ncc2C)n1 91656353 OPHODDRDTIFFFR-MRVPVSSYSA-N 278.316 1.112 0 50 CDAA COc1cncnc1NC(=O)N[C@H]1CC(C)(C)OC1(C)C 294152775 HPRBXYSHOKFRHR-JTQLQIEISA-N 294.355 1.953 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCOC[C@H]2C2CC2)c1F 181399995 UQFLYGOLXQXHIJ-LBPRGKRZSA-N 299.367 1.934 0 50 CDAA Cc1cnn([C@H](C)C(=O)N2CCOC3(CCCC3)C2)c1 244716256 LLVJGTOPPRQDIA-CYBMUJFWSA-N 277.368 1.924 0 50 CDAA CN(C)CCOc1cccc(-c2cnc(=N)[nH]c2)c1 623169934 SGZYCNSILJXIAH-UHFFFAOYSA-N 258.325 1.497 0 50 CDAA O=c1[nH]c(CN[C@@H]2CCCSC2)nc2ccccc12 136375359 OTHKIZHMRBCGBO-SNVBAGLBSA-N 275.377 1.908 0 50 CDAA NC(=O)c1ncc(C(F)(F)F)cc1-n1ccnc1 261494743 BRPDRUSCYOZPGP-UHFFFAOYSA-N 256.187 1.385 0 50 CDAA Cc1ccccc1[C@@H](CNC(=O)c1cnn[nH]1)N(C)C 534644184 ZSWAUNCQPKLAMW-CYBMUJFWSA-N 273.340 1.146 0 50 CDAA COc1ccc(CN2CCN(c3ccccc3)C(=O)C2)cn1 360613636 UUEGQKMIPHTPLE-UHFFFAOYSA-N 297.358 1.939 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCC(CN2CCCC2)CC1 369552224 GYQZORYOTCLQRI-HNNXBMFYSA-N 280.412 1.747 0 50 CDAA Cc1cc(C)n(CCN2CCC[C@@H](c3nc(C)n[nH]3)C2)n1 299798822 SNYKUIPPNAVHIJ-CQSZACIVSA-N 288.399 1.806 0 50 CDAA CN(Cc1cc[nH]n1)c1cc([C@@H]2CCOC2)ncn1 299759060 NDNNEGSRVPJJOJ-SNVBAGLBSA-N 259.313 1.340 0 50 CDAA CCn1cncc1Cn1cnc2ccc(OC)cc2c1=O 584893015 MZRSJXCYUGQSSL-UHFFFAOYSA-N 284.319 1.670 0 50 CDAA CCS(=O)(=O)NC[C@H](C)NC1(c2ccccc2C)CC1 584902141 SLVJGHIBPFUECX-ZDUSSCGKSA-N 296.436 1.902 0 50 CDAA CCc1nccn1C[C@@H](C)N1Cc2nc(C)nc(O)c2C1 584892147 QYCNSMYVRQMDGR-SNVBAGLBSA-N 287.367 1.654 0 50 CDAA CC[C@H](NC(=O)c1cnn[nH]1)c1nc2ccc(C)cc2[nH]1 584895303 YGTVHLKFLYWSDG-VIFPVBQESA-N 284.323 1.871 0 50 CDAA COc1nc(NCCCN2CCC[C@@H](CO)C2)ncc1F 670445934 BRBYUAXEZLHCDW-LLVKDONJSA-N 298.362 1.131 0 50 CDAA C=CC(=O)N[C@H](CN1CCCC1=O)c1ccccc1 1346082166 UIYSINBYYRTBCL-CYBMUJFWSA-N 258.321 1.652 0 50 CDAA COc1ccc(CNC(=O)[C@H](C)Cn2cncn2)cc1F 952986543 GPFLAYSNQHBOOK-SNVBAGLBSA-N 292.314 1.378 0 50 CDAA CN(CC(=O)N[C@@H]1C=CCCC1)Cc1cccnc1 952973572 OIZXLQHJXZBYQH-CQSZACIVSA-N 259.353 1.738 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)O)=NO2)C1 86003073 SKWDIOBLAPQHAF-ZDUSSCGKSA-N 284.312 1.617 0 50 CDAA in-vitro Cn1nc(I)c2ncc(Cl)nc21 1565504659 LHMOBUPTUGNVJG-UHFFFAOYSA-N 294.483 1.621 0 50 CDAA CC(C)Cc1n[nH]c(=NC(=O)N2C[C@@H](O)C[C@@H]2C)s1 408287332 QMOUDRIALFGNNK-IUCAKERBSA-N 284.385 1.146 0 50 CDAA COCCn1cc(-c2ccc3c(c2)C(=O)NCC3)cn1 665228309 UKKVXMWSZZLMMU-UHFFFAOYSA-N 271.320 1.482 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccc(C)n(C)c1=O 278446644 VKIYOOAWTMLHQJ-ZIAGYGMSSA-N 292.379 1.515 0 50 CDAA NC(=O)c1ccc(CCN2C[C@H](N)C3(CCC3)C2)cc1 1775961954 KFQZVLWACJLNHW-AWEZNQCLSA-N 273.380 1.141 0 50 CDAA Cn1cnc(-c2ccc(NCc3cncn3C)cc2)n1 190874152 RDNNOZGPXQCFIM-UHFFFAOYSA-N 268.324 1.828 0 50 CDAA Cc1noc(C)c1CCNC(=O)[C@H]1CCCO[C@@H]1C 191448415 JGGNXUUTLXTFKW-MFKMUULPSA-N 266.341 1.765 0 50 CDAA CC[C@H]1CN(C)CCN1C(=O)Cc1cc(F)ccc1OC 585086010 ZIUVXIVFZFKYBQ-AWEZNQCLSA-N 294.370 1.929 0 50 CDAA CSC[C@H](C)C(=O)N=c1cc(C(=O)OC(C)(C)C)[nH][nH]1 585129921 BSDXOPBZOQVZTE-QMMMGPOBSA-N 299.396 1.725 0 50 CDAA C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](C)C1 736292668 QMPPLQOEGBBDQO-MNOVXSKESA-N 273.340 1.648 0 50 CDAA Cc1ccnc(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1 194403366 ARODLPBIRSVRFI-UHFFFAOYSA-N 291.332 1.441 0 50 CDAA Cc1cc(=O)c(OCc2nnc(C3CCC3)n2C)co1 194693698 WIMJXLJSHNVZCM-UHFFFAOYSA-N 275.308 1.923 0 50 CDAA CC(=O)Nc1cnn(CC(=O)N(C)CC2CCCCC2)c1 655679010 RMVONKWESRXVLZ-UHFFFAOYSA-N 292.383 1.880 0 50 CDAA N[C@H]1CC[C@@H](CC(=O)NCc2ccc(CO)c(F)c2)C1 1615046042 SYFPSDOUZZBVNR-MFKMUULPSA-N 280.343 1.452 0 50 CDAA NC(=O)COC1CCN(C[C@H]2CC3CCC2CC3)CC1 1615002527 JGGXGNXWTDEQIS-JXQTWKCFSA-N 280.412 1.779 0 50 CDAA CC[C@H](C)[C@H](C(=O)N1CCc2ccccc2C1)n1cnnn1 1615155035 IBXQHJMZFAAYBX-SWLSCSKDSA-N 299.378 1.845 0 50 CDAA CN(C)C(=O)CCCNc1nccc2nsnc12 1615585558 CPVLFLAWGQIRTH-UHFFFAOYSA-N 265.342 1.367 0 50 CDAA C[C@@]12C[C@@H]1CN(CC(=O)N1CCc3ccccc31)C2 1772810541 JLGSGGPPQNFXTQ-CJNGLKHVSA-N 256.349 1.918 0 50 CDAA CN(C)CCNC(=O)COc1ccc(Cl)cc1 2496120 VFEUKRULGBAHHV-UHFFFAOYSA-N 256.733 1.397 0 50 CDAA Cn1nc2c(c1NC(=O)c1ccc(=O)n(C)c1)CSC2 1529172295 CTKLFRBAUGORIA-UHFFFAOYSA-N 290.348 1.118 0 50 CDAA COC[C@H]1CN(C(=O)c2ncoc2C2CC2)CCO1 328840036 OQGHAJTWAXQXMU-SNVBAGLBSA-N 266.297 1.039 0 50 CDAA O=C(NCn1ccc(=O)[nH]c1=S)c1ccccc1 18182624 QEYODQNJDBDVDN-UHFFFAOYSA-N 261.306 1.293 0 50 CDAA CC(C)(C(=O)N1C[C@H]2C[C@@H](O)[C@H]2C1)c1ccccc1 1772710221 WAXKJACOKAMPSZ-KWCYVHTRSA-N 259.349 1.803 0 50 CDAA Cc1ccc(NC(=O)N2C[C@@H]3CNC[C@]3(CO)C2)cc1 1772711033 VVYLQHTXASLBOH-SWLSCSKDSA-N 275.352 1.041 0 50 CDAA CC[C@H]1COCc2nnc(CC3CCNCC3)n21 1772810841 PLNXEFKQXNRDEZ-NSHDSACASA-N 250.346 1.302 0 50 CDAA c1cncc(OC2CCN(CC[C@@H]3COCCO3)CC2)c1 1775982533 RGGSUXDNCWNSQO-MRXNPFEDSA-N 292.379 1.730 0 50 CDAA CCc1noc(C)c1C(=O)N1CCCN(C)CC1 6727027 CKDYLWCGAXEGRS-UHFFFAOYSA-N 251.330 1.323 0 50 CDAA CCN1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1 13326597 WOBWMSKFESCPGE-UHFFFAOYSA-N 290.363 1.672 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)[C@]1(C)CC13CCNCC3)CC2 1857681758 NCJRJDBYOGKGIZ-HNNXBMFYSA-N 288.395 1.383 0 50 CDAA Cc1ccc(-c2nccn2[C@H]2CCNC[C@@H]2O)cc1F 1857710671 JQMBLKLENKANFF-KBPBESRZSA-N 275.327 1.893 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[C@@H](O)C1 229182274 OIOBAMCMDAKNJH-MCIONIFRSA-N 284.400 1.748 0 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LDVJAZVIBJGFTE-ZDUSSCGKSA-N 292.379 1.676 0 50 CDAA CCNC(=S)N1CCN(c2ccccc2F)CC1 314939 DLQRGUXHSARBEK-UHFFFAOYSA-N 267.373 1.842 0 50 CDAA O=C(O)[C@]12C[C@H]1CCCN2Cc1cnn(-c2ccccc2)n1 903936421 JXNXMLYBGFNABQ-WBMJQRKESA-N 298.346 1.706 0 50 CDAA Cc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c(C)n1 1704315472 GFXSZOJNGOBNNU-KBPBESRZSA-N 289.379 1.101 0 50 CDAA Cc1nc(C)n(C2CN(C[C@@H](O)c3ccccc3)C2)n1 818171699 FZPWROBMUXLUQX-OAHLLOKOSA-N 272.352 1.485 0 50 CDAA Cc1nnc([C@H](C)N[C@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)s1 926164446 MJSVRSVSALUCBV-MHDQKPLQSA-N 265.382 1.921 0 50 CDAA CCn1nc(C)c(Cn2c3ccccc3c(=O)n2C)n1 931251748 ZIVWGZNJWIEFBF-UHFFFAOYSA-N 271.324 1.308 0 50 CDAA Cc1nonc1C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 848159445 ZGJYWGOARPJLLS-NSHDSACASA-N 289.339 1.377 0 50 CDAA C=CC(=O)N1CCN2C(=O)CC[C@@]12c1ccccc1 863971146 GXDOKVOAPQKVMS-OAHLLOKOSA-N 256.305 1.490 0 50 CDAA O=C1CCC[C@@H](CC(=O)N2CCc3cnccc32)N1 952845994 ZWROSMFQGSSZMO-NSHDSACASA-N 259.309 1.030 0 50 CDAA 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534655175 JCGVUIFOCNSGTL-NSHDSACASA-N 281.308 1.688 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1cncs1 534635567 CEMXYEORYBCCSL-QMMMGPOBSA-N 265.342 1.636 0 50 CDAA CC(C)n1ccc(C(=O)N(C)C[C@H]2CCOC2)n1 267377216 GMWKJXBZAHOFHY-LLVKDONJSA-N 251.330 1.573 0 50 CDAA CCCc1cnc(C)nc1N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 534671753 VSQRBUVMOUJKDV-GDNZZTSVSA-N 261.325 1.504 0 50 CDAA COc1ccc(N2C[C@H](NC(=O)OC(C)C)CC2=O)cc1 263617739 PKEFVDPCNLLOQC-LLVKDONJSA-N 292.335 1.935 0 50 CDAA CN(C)CC[C@@H](NC(=O)c1cnc[nH]1)c1ccccc1 534643580 FJYZWXMLVQVHFS-CYBMUJFWSA-N 272.352 1.833 0 50 CDAA CCCc1ncncc1C(=O)NC[C@H](C)n1cc(C)cn1 534639527 JYBLFLPSEIOPBE-LBPRGKRZSA-N 287.367 1.925 0 50 CDAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccc(Cl)c1 299765884 CUBOCLCJUSRWBC-KGLIPLIRSA-N 295.814 1.766 0 50 CDAA Cc1ccc2nc(CNC(=O)[C@@H]3CCCNCC3)cn2c1 299785783 NWJPAMYZANYOGZ-CYBMUJFWSA-N 286.379 1.649 0 50 CDAA Cc1nccn1CCC(=O)N(C)C[C@H]1CCN(C)C1(C)C 299773515 DPTBRFAQZWLLLY-CQSZACIVSA-N 292.427 1.770 0 50 CDAA Cc1nc([C@@H](C)NC(=O)Cc2ncccc2C)n[nH]1 827856113 LFPDBWCFUKEIGV-SECBINFHSA-N 259.313 1.236 0 50 CDAA O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]2CC[C@H]1C2 654211604 AHJBYMZHEFMWNZ-DCAQKATOSA-N 260.341 1.277 0 50 CDAA CC1(C)C[C@H](O)CCN(CC(C)(C)CN2CCOCC2)C1 828630088 YEDFEVZBEYMHIL-OAHLLOKOSA-N 298.471 1.828 0 50 CDAA Cc1nnnn1CCC(=O)N1C[C@H]2CCC[C@@H](C2)C1 584899010 JBTFVBUPHMCLLA-RYUDHWBXSA-N 263.345 1.020 0 50 CDAA CN(C)C[C@H]1[C@@H]2CN(Cc3cccc4nonc34)C[C@H]12 584886917 VDFKZOSMVCHATE-XYYAHUGASA-N 272.352 1.462 0 50 CDAA C[C@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)CC1 584898373 KOXLRNKXODODNK-NSHDSACASA-N 265.357 1.681 0 50 CDAA COCc1noc(CN2CCC(c3n[nH]c(C)n3)CC2)n1 670435049 MZQAWTYRKUMKJG-UHFFFAOYSA-N 292.343 1.022 0 50 CDAA C[C@H]1CCCN(Cc2cnc(N(C)CC(=O)O)nc2)CC1 584900965 SKRPCPJGAMWWAQ-LBPRGKRZSA-N 292.383 1.619 0 50 CDAA CN(CCC1(O)CCCC1)C(=O)c1cnc(N)s1 670440514 GXRYGALHQORUPA-UHFFFAOYSA-N 269.370 1.493 0 50 CDAA CC[C@H](NC(=O)c1cn(C)c(C)cc1=O)c1ncc(C)[nH]1 670455943 AVYCEIDLGNZMLO-LBPRGKRZSA-N 288.351 1.606 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C(C)(C)C)C1 958528549 QFGDSVRKXYGAKX-YGRLFVJLSA-N 272.389 1.732 0 50 CDAA N[C@H](c1ccsc1)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528226 OWVUDIFGWLPAJX-FBTJUVTCSA-N 287.406 1.219 0 50 CDAA NCCc1cccc(CN2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)c1 71759554 AVWLCQPMKZFPGX-ZYGGUILKSA-N 272.392 1.797 0 50 CDAA COCC1(O)CCN(C(=O)Cc2ccccc2OC)CC1 270811988 YNGYDECXCDQEKI-UHFFFAOYSA-N 293.363 1.238 0 50 CDAA CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 95634778 ANDTXJJNCYFCGK-SNVBAGLBSA-N 271.313 1.376 0 50 CDAA in-vitro C[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@@H]2CO)O1 185677057 RQRNQPDNPXAWCE-BYCMXARLSA-N 275.348 1.672 0 50 CDAA C[C@H](NC(=O)N(C)C[C@H]1CCCC[C@H]1O)c1cn[nH]c1 272621057 UNFYPPZFOKULIA-DMDPSCGWSA-N 280.372 1.663 0 50 CDAA CCOc1ccccc1CNS(=O)(=O)c1ncc[nH]1 631785318 NQOOCKZOZGCHBK-UHFFFAOYSA-N 281.337 1.287 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@H](C)O 276209516 LAUOJXUFRWLKGT-JTQLQIEISA-N 252.314 1.258 0 50 CDAA Cn1cc(NC(=O)N2CCSC(C)(C)C2)ccc1=O 170655656 SYWLIYQSEJFUJB-UHFFFAOYSA-N 281.381 1.745 0 50 CDAA CCOC[C@H]1CN(C(=O)c2ncc3n2CCCC3)CCO1 633684034 IAYREDWOMUWMHI-CYBMUJFWSA-N 293.367 1.097 0 50 CDAA CCN(CC(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1)C1CC1 552078395 UFNCARFUWOMZMV-HNNXBMFYSA-N 290.411 1.814 0 50 CDAA COc1cccc(C)c1CN1CCn2nncc2C1 639298456 YMBAUCPTVLGLMI-UHFFFAOYSA-N 258.325 1.611 0 50 CDAA COCC1(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)CCC1 639370176 ILBDCMZSMAJCTC-KFWWJZLASA-N 282.428 1.380 0 50 CDAA Cc1cccc(CC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 190009570 FOCPXYYYWSQUOU-DOTOQJQBSA-N 299.374 1.917 0 50 CDAA COc1cccnc1CN1CCCN(c2ncccn2)CC1 1206645130 VVDWXUQSIOAVHT-UHFFFAOYSA-N 299.378 1.593 0 50 CDAA Cc1ccc(NC(=O)CCc2ccnn2C)c(C(=O)O)c1 191231948 PEBFESUHVPKNBL-UHFFFAOYSA-N 287.319 1.998 0 50 CDAA C[C@@](O)(Cc1ccccc1)C(=O)N1Cc2c[nH]nc2C1 647796352 VJIQKZCVFNTBQP-OAHLLOKOSA-N 271.320 1.246 0 50 CDAA Cc1ccc(NCCCNC(=O)N2CCOCC2)nc1 193852898 JAUVAJXCWJIVKY-UHFFFAOYSA-N 278.356 1.234 0 50 CDAA COc1nc(C)cc(NCC2CCN(C(C)=O)CC2)n1 680620297 DMXNOABYFMFPOS-UHFFFAOYSA-N 278.356 1.464 0 50 CDAA O=C(O)[C@@]1(C(=O)N2CC[C@H](N3CCCC3)C2)CC=CCC1 653307097 CFDMZGKRKSTQPI-BBRMVZONSA-N 292.379 1.494 0 50 CDAA Cn1nc2c(c1NC(=O)c1cc(O)nc(C3CC3)n1)CCC2 568291607 OSIOLGWEQWTOCQ-UHFFFAOYSA-N 299.334 1.534 0 50 CDAA OC[C@@H](O)C1CCN(CCCOCc2ccccc2)CC1 1772709142 MLHWWUJRDNBHCL-QGZVFWFLSA-N 293.407 1.659 0 50 CDAA O=C(NC1(C(=O)O)CC1)[C@@H]1CCOc2ccccc21 203661265 LUHIIXSFADRTTN-SNVBAGLBSA-N 261.277 1.286 0 50 CDAA CCC/C=C/[C@H](O)C(=O)N(CCO)CCCCC 901212406 BSCMCLZQDRISLV-XOVSCCBYSA-N 257.374 1.715 0 50 CDAA CCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1 207496 HTYVNJVXOKZBMS-VMPITWQZSA-N 261.321 1.957 0 50 CDAA CCc1c(C)noc1NC(=O)c1cc2ncccn2n1 1529168467 FMFGSTDAHYFCFF-UHFFFAOYSA-N 271.280 1.840 0 50 CDAA CC(C)(C)OC(=O)[C@@H](c1ccco1)[C@@H](N)C(=O)O 201128704 RZGQGSTZCPRLJS-DTWKUNHWSA-N 255.270 1.117 0 50 CDAA CN1CCO[C@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 112022929 HPHZCGSRRDQGSH-CYBMUJFWSA-N 273.336 1.228 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCCCCC1 225696571 AIXKLNBEFCDSDD-WISYIIOYSA-N 265.309 1.043 0 50 CDAA O=C(Nc1cnns1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 333328652 CFRRKAWYNCOIKM-XHNCKOQMSA-N 268.342 1.163 0 50 CDAA CC(C)c1nc(=NCCc2nc(N(C)C)no2)s[nH]1 1875264696 DCKMBODQMVQKNZ-UHFFFAOYSA-N 282.373 1.187 0 50 CDAA O=C(NCCn1ccnn1)c1ccc(O)c(Cl)c1 136361482 URLYMCDOHJHVBG-UHFFFAOYSA-N 266.688 1.067 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CNC(=O)N(C)C)C2 1704344835 OZASMRQEXDAZDD-IUODEOHRSA-N 297.399 1.065 0 50 CDAA CON(C)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 22113879 NQGXVXHYGRAABB-SNVBAGLBSA-N 272.345 1.653 0 50 CDAA in-vitro C[C@H]1CN(CC(=O)N[C@H](C)c2ccc(F)cc2)CCO1 229781117 CCBVDWKNYWISQY-NWDGAFQWSA-N 280.343 1.724 0 50 CDAA CC[C@]1(C(=O)N[C@H]2CCN3CCC[C@@H]3C2)CCCN1 122370563 OFXRXVXZBXEYJF-GZBFAFLISA-N 265.401 1.262 0 50 CDAA CC(C)Cn1cc(NS(=O)(=O)c2cn[nH]c2)cn1 266516876 CFSORFXUBCEOPS-UHFFFAOYSA-N 269.330 1.063 0 50 CDAA O=C1CO[C@@]2(CCN(C/C=C/c3ccc(F)cc3)C2)CN1 1772817196 LYBXVUZTDZMKNV-PYKQWIPUSA-N 290.338 1.430 0 50 CDAA CC(C)n1ccc(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1 247060047 KBMSDCPZJMIWMS-RYUDHWBXSA-N 287.429 1.717 0 50 CDAA C[C@H](Oc1ccc(F)cc1)C(=O)N1CCOCC1 12380519 QNCLYQXFAXALMT-JTQLQIEISA-N 253.273 1.452 0 50 CDAA COC(=O)CCN(N=O)c1cccc(C(=O)OC)c1 15635791 WUNOQHRVOPGYRE-UHFFFAOYSA-N 266.253 1.524 0 50 CDAA O=C(CN1CCCC1)N[C@H]1COc2ccc(Cl)cc21 19928017 DVTJYGDXWAYTKF-LBPRGKRZSA-N 280.755 1.986 0 50 CDAA O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCC[C@H](O)C1 1857727805 AMVPOQKGSYBMDD-RRFJBIMHSA-N 274.364 1.463 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CC[C@H](N)C1)C2 237899187 PYZOTWWOKYMZOM-GXTWGEPZSA-N 260.337 1.167 0 50 CDAA O=S1(=O)CC[C@@H](n2ccnc2-c2nccs2)C1 1875246891 GMTUKZYSHMWBDX-MRVPVSSYSA-N 269.351 1.366 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(CCc3ccco3)n2C1 601045650 XZBNLXZHJCLROA-SNVBAGLBSA-N 275.308 1.392 0 50 CDAA COC1CCC(N(C)C(=O)[C@H]2CC(=O)N[C@@H](C)C2)CC1 408207365 WHFHWTSKPSTQDG-ZFDZMSFRSA-N 282.384 1.317 0 50 CDAA Cc1cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)ccc1Cl 225487244 GISUQGMTGOILNR-CQSZACIVSA-N 296.754 1.101 0 50 CDAA CCCC[C@@H](N)C(=O)N1CCN(c2ncccc2F)CC1 225562549 KYMVUJIIBBHYPW-CYBMUJFWSA-N 294.374 1.387 0 50 CDAA C[C@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc(Cl)c1 225658282 KIYZYHIHGCLFRT-IINYFYTJSA-N 294.782 1.913 0 50 CDAA CCn1cc([C@@H]2N=C(O)CC[C@H]2Nc2ncccn2)cn1 328632134 RPXMDQGKDJWZPF-YPMHNXCESA-N 286.339 1.965 0 50 CDAA Cc1nn(CC(=O)NC2(C(=O)O)CCC2)c(C)c1Cl 237864644 CUXJISGZUNCWCR-UHFFFAOYSA-N 285.731 1.277 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](O)(C(F)(F)C(=O)O)C1 258720555 XVWXZSYLVHAWLT-JTQLQIEISA-N 281.255 1.078 0 50 CDAA CNC(=O)COc1ccccc1CN(C)[C@@H]1CCC[C@H]1O 585084518 LNRLVKWUQIZWJB-ZIAGYGMSSA-N 292.379 1.157 0 50 CDAA Cc1cc([C@@H](NC(=O)C2CCOCC2)C(=O)O)ccc1F 262976633 JEEKDJIRXKPILD-CYBMUJFWSA-N 295.310 1.803 0 50 CDAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2cnccc12 267250580 RQRZUVPFYQJKGU-WCQYABFASA-N 268.316 1.902 0 50 CDAA O=C(O)c1ccc(OC[C@@H](O)CN2CCC(F)CC2)cc1 903607163 IFKNFUCTNBKFKE-ZDUSSCGKSA-N 297.326 1.558 0 50 CDAA CCCCc1ncc(CN2C[C@H]3COC[C@@H]2CN(C)C3)[nH]1 1704308807 LAHOJLBFAMQNJJ-ZFWWWQNUSA-N 292.427 1.515 0 50 CDAA C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H](N)C1 237557116 NXOFDJDJHXNYNQ-NXEZZACHSA-N 268.744 1.667 0 50 CDAA COc1cncc(N2CCN(Cc3nccc(C)n3)CC2)c1 931214116 RFYVDAKZMLCQSA-UHFFFAOYSA-N 299.378 1.511 0 50 CDAA CCc1ccc(NC(=O)NCC[C@@H]2CC(=O)N(C)C2)nc1 932428068 NWXYITFKTGYLKJ-GFCCVEGCSA-N 290.367 1.634 0 50 CDAA C[C@H]1c2nncn2CCN1C(=O)c1cc2cccn2cn1 935618750 NUULWZCMLKOBLE-JTQLQIEISA-N 282.307 1.143 0 50 CDAA Cc1nonc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 873281491 JTJJCLMKABQVHR-RISCZKNCSA-N 294.355 1.215 0 50 CDAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)C(=O)C(C)(C)C 952887857 CARXVIBSVMTIDT-NSHDSACASA-N 293.367 1.542 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)c1ccc(Cl)c(N)c1 1875290948 JMUSLQUWSZGXLJ-SVRRBLITSA-N 288.756 1.383 0 50 CDAA C[C@@H]1NC(=O)O[C@]12CCN(c1ncnc3[nH]ccc13)C2 1875294618 KTDFIPPHNWONOP-SDBXPKJASA-N 273.296 1.035 0 50 CDAA OC[C@@H](F)CN=c1[nH]c(-c2cccnc2)nc2ccccc12 1875360800 JKAGZTBPDUJPRE-LBPRGKRZSA-N 298.321 1.856 0 50 CDAA Nc1c(C(=O)NC2CC2)cnn1-c1ccccc1F 1875345500 ZUAODNNMBKOCON-UHFFFAOYSA-N 260.272 1.486 0 50 CDAA C[C@@H]1CCCN(C(=O)CN2CCCC[C@H]2C2OCCO2)C1 252497898 HHEIMLGBILEPKH-KGLIPLIRSA-N 296.411 1.472 0 50 CDAA O[C@@H](Cc1ccccc1)CN1CCC12CCOCC2 253393974 XWEMKWHKTHGNDZ-HNNXBMFYSA-N 261.365 1.845 0 50 CDAA Cc1ccccc1OCCN(C)C(=O)C1(C(=O)O)CC1 154766631 CJOWMQLZTQOLAL-UHFFFAOYSA-N 277.320 1.697 0 50 CDAA Cc1scc(C(=O)N2CCO[C@H](C(=O)O)C2)c1C 263058186 GFIVGTSVSPRXJJ-JTQLQIEISA-N 269.322 1.291 0 50 CDAA O=C(O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)NCc1ccoc1 299941074 ISFTVNSRIOJOQY-SRVKXCTJSA-N 278.308 1.674 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)CCOCc2ccccc2)C1 345299488 HDODWGBHILQPSV-GJZGRUSLSA-N 293.363 1.202 0 50 CDAA CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1C=CCN1 534663501 XNPOXEWJTBDGRK-NSHDSACASA-N 274.349 1.178 0 50 CDAA CC1(C)C[C@H](CN=c2[nH]cnc(N)c2Cl)CCO1 577077314 NDJZBCLIRAMYGA-MRVPVSSYSA-N 270.764 1.751 0 50 CDAA CC1(C)OC(=O)N(CC(=O)Nc2ccc(F)cc2)[C@@]1(C)O 117946 OSGSZGBFOWYWLK-AWEZNQCLSA-N 296.298 1.704 0 50 CDAA Cc1cnc(Nc2cccc3c2nnn3C)nc1N(C)C 2100556373 LFYBOESZWBVDLU-UHFFFAOYSA-N 283.339 1.876 0 50 CDAA Cn1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O 38828588 SZOPICFAYBNFTH-UHFFFAOYSA-N 277.287 1.643 0 50 CDAA COc1ccc([C@@H]2CN(C(=O)c3cnccn3)CCO2)cc1 870108679 ZVKCTKHITADTHH-HNNXBMFYSA-N 299.330 1.699 0 50 CDAA CS[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2O)C1 245338707 NYTATNGMUMIOOE-IRCOFANPSA-N 272.414 1.873 0 50 CDAA COc1c2c(nc3ccccc13)O[C@@H]([C@@](C)(O)CO)C2 35529 NETGEQWGGLFVRL-DOMZBBRYSA-N 275.304 1.290 0 50 CDAA biogenic,in-vitro CCOc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1 68672 WHCOCRPZHNFYOF-GHMZBOCLSA-N 253.323 1.874 0 50 CDAA Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)O)c1C 142809 FAIKALCUIWGIHB-UHFFFAOYSA-N 271.338 1.283 0 50 CDAA COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccsc1 223150 QFPUQVWIERXJIP-UHFFFAOYSA-N 293.344 1.891 0 50 CDAA COc1cccc(OC)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 255484 OWGMIPBVQNQXTE-GHMZBOCLSA-N 279.336 1.953 0 50 CDAA CC(C)(C)NC(=O)COc1ccc(CNCCO)cc1 6313414 GXZYAWXMHODRPE-UHFFFAOYSA-N 280.368 1.062 0 50 CDAA CC(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 20455519 CPBWTLZDXFGVAA-UHFFFAOYSA-N 286.335 1.401 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(CC2CCOCC2)C1 344013608 KHKPXIIEASYBCU-GJZGRUSLSA-N 296.411 1.125 0 50 CDAA CS(=O)(=O)c1ccc(O[C@@]23CCCN(CC2)C3)cc1 67880658 GDRGZMWCYKSMER-AWEZNQCLSA-N 281.377 1.707 0 50 CDAA CCn1ccnc1CN1CCN(C(C)C)C[C@H]1C 248011337 RKVFECADAPWVEZ-CYBMUJFWSA-N 250.390 1.818 0 50 CDAA CCOCCN[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 309737745 RBLKKLHZIBIXSO-QWRGUYRKSA-N 260.378 1.914 0 50 CDAA CC(C)(C)c1csc(CNC(=O)c2c[nH]nn2)n1 171579710 TYLJPSHBDXIUQA-UHFFFAOYSA-N 265.342 1.489 0 50 CDAA CN(C[C@@H]1COCCO1)C(=O)c1nccc2ccccc12 20683551 AMPKXZURUFYHSV-CYBMUJFWSA-N 286.331 1.722 0 50 CDAA C[C@H](c1ccccc1)[C@H]1CC(=O)N(CC(=O)O)C1=O 20482004 BYWYICLTMSHRNI-MWLCHTKSSA-N 261.277 1.250 0 50 CDAA O=C(NCCc1c(F)cccc1F)N[C@H]1CCCOC1 171599496 ZADROIJMNCKFEU-JTQLQIEISA-N 284.306 1.986 0 50 CDAA Cc1n[nH]c(C)c1CCc1nnc(SCC(=O)O)n1C 67713521 UOKBSFRLSAPFKU-UHFFFAOYSA-N 295.368 1.117 0 50 CDAA CC[C@H](NC(=O)C1=NNC(=O)CC1)c1ncccc1C 67772913 KYZIFHPJJUIUHZ-JTQLQIEISA-N 274.324 1.223 0 50 CDAA CCC[C@H]1C(=O)NCCN1C(=O)c1cc2occc2[nH]1 122691345 JAAXMAQPGVMJBZ-NSHDSACASA-N 275.308 1.502 0 50 CDAA CCN1CCN(Cc2nc(CCc3ccccc3)n[nH]2)CC1 65503336 FSLFYQZHJBKWEH-UHFFFAOYSA-N 299.422 1.727 0 50 CDAA O=C(C1CCCC1)N(CCCO)Cc1ccccn1 279875778 BBDVWPFLAUEFFB-UHFFFAOYSA-N 262.353 1.983 0 50 CDAA NC(=S)Nc1ccc(I)cn1 1389484 CWKXZMWFEPLTCA-UHFFFAOYSA-N 279.106 1.342 0 50 CDAA CCOC(=O)c1n[nH]cc1CN1CCCn2cncc2C1 72144251 WISKJIFFBHBAKS-UHFFFAOYSA-N 289.339 1.189 0 50 CDAA CCCOc1cccc(CC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c1 423660854 BJIXLEVTJUDAEW-FOLVSLTJSA-N 274.364 1.352 0 50 CDAA O=C(O)CCc1c(C(=O)O)[nH]c2cccc(C(=O)O)c12 71771489 CZMYVWXCRIPKOB-UHFFFAOYSA-N 277.232 1.582 0 50 CDAA CC1=NO[C@@H](C(=O)N(C)Cc2c(C)noc2C)C1 71762978 HZDYHFRLFPBQAQ-LLVKDONJSA-N 251.286 1.415 0 50 CDAA 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0 50 CDAA O=C(C1CCC1)N1CCc2[nH]cnc2C12CCNCC2 247874307 NCOBLZMXAOGJJD-UHFFFAOYSA-N 274.368 1.173 0 50 CDAA CCC1=NO[C@@H](CN2CCC(n3cnnc3)CC2)C1 244742007 OALAVKOXXNUOLQ-CYBMUJFWSA-N 263.345 1.470 0 50 CDAA CCCCS(=O)(=O)N1CC[C@@H](N2CCCCC2)C1 341202084 BEFXZAHHADZALG-CYBMUJFWSA-N 274.430 1.677 0 50 CDAA CCCc1nnc(NC(=O)N2CCC[C@@H](O)CC2)s1 296191922 HIMNPVMALRFNFY-SECBINFHSA-N 284.385 1.869 0 50 CDAA C[C@H]1CCCC[C@@H]1N1CCN(C(=O)CC(=O)O)CC1 601013397 RMILJRWULBRQCT-RYUDHWBXSA-N 268.357 1.184 0 50 CDAA OC[C@H]1COCCN1Cc1cncn1Cc1ccccc1 252488991 JDIYSPHPMCCQPU-INIZCTEOSA-N 287.363 1.125 0 50 CDAA NCCOc1ccc(NC(=O)[C@H]2CCCCN2)cc1 183255874 XLJYCUUQSMPEFW-CYBMUJFWSA-N 263.341 1.105 0 50 CDAA COc1ccc(F)c(-c2nc(C(=O)O)nn2C)c1 534661840 IRNUXBIZNQQEKG-UHFFFAOYSA-N 251.217 1.328 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)c1cc(=O)cc(C)o1 299794058 IXRCBDLHZXETOD-SNVBAGLBSA-N 290.323 1.441 0 50 CDAA CN(C)c1ncc(/C=C/C(=O)NC(C2CC2)C2CC2)cn1 823741931 AYBMQHVISJSNCA-FPYGCLRLSA-N 286.379 1.861 0 50 CDAA 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277.324 1.029 0 50 CDAA COc1cccc2ccc(CN(C)[C@H]3COC[C@@H]3O)nc12 216270429 VCFBDVCEZNBRMX-KBPBESRZSA-N 288.347 1.435 0 50 CDAA CCN(CC)C(=O)[C@H]1CCCN(Cc2c(C)cnn2C)C1 215742854 QXAYOBJERCKRGQ-AWEZNQCLSA-N 292.427 1.809 0 50 CDAA Cc1cnc(N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)nc1 372322041 RQJUXUVZNGHFCR-ZIAGYGMSSA-N 287.367 1.611 0 50 CDAA O=C(c1ccccn1)N1CCC[C@@H](c2nnc(O)o2)C1 332245170 BFTXUFUYPJVNAR-SECBINFHSA-N 274.280 1.190 0 50 CDAA O=C(O)c1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)o1 262223468 VRELAWYMACPKTM-GGZOMVNGSA-N 291.303 1.665 0 50 CDAA COCCC(=O)N[C@H](Cn1cccn1)c1ccccc1 78143389 OLCJDQDASJAXOC-CQSZACIVSA-N 273.336 1.777 0 50 CDAA Cc1ccc(CC(=O)N2CCCC[C@H]2[C@@H](C)N)cn1 262749590 MCZSCKWEJQOHIS-OCCSQVGLSA-N 261.369 1.661 0 50 CDAA CN1CCC(CNC(=O)c2cn[nH]c2)(c2ccccc2)CC1 215637455 AGMJNHJAQCMMRO-UHFFFAOYSA-N 298.390 1.803 0 50 CDAA COC(=O)[C@]1(C)CCCN(C(=O)c2c[nH]cc2C)C1 335521628 ANQVDTGTELHTQN-CQSZACIVSA-N 264.325 1.738 0 50 CDAA CSCC[C@@H](N)C(=O)N(C)CCOc1ccc(C)cc1 130992330 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VZEIUSXTQDVWNA-UHFFFAOYSA-N 252.281 1.541 0 50 CDAA CC[C@H](C(=O)N(C)Cc1cnc(NC)nc1)n1cccn1 91817793 WGGHCXOQTNMSBQ-GFCCVEGCSA-N 288.355 1.325 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](N)C2)nn1C(C)(C)C 237708940 AIVHPEJBXFFRQJ-JTQLQIEISA-N 250.346 1.120 0 50 CDAA c1nc([C@@H]2CCOC2)n(-c2ccc3c(c2)OCO3)n1 92078964 HYAZLJMVMUCLFE-SECBINFHSA-N 259.265 1.500 0 50 CDAA CC[C@@H](c1cccnc1)N(C)C(=O)c1ccn2nnnc2c1 97301352 VKLPVIKVRIUFRU-ZDUSSCGKSA-N 296.334 1.743 0 50 CDAA CCc1cnc(N)nc1N1CCC(O)(c2cccnc2)CC1 91616885 UNBMGYGIYJDLNW-UHFFFAOYSA-N 299.378 1.504 0 50 CDAA CCCCn1nc(C)nc1CC[C@H](C)N1CCN(C)CC1 96163300 RBZPNHSUHGESKT-AWEZNQCLSA-N 293.459 1.955 0 50 CDAA Cc1cccc(CN(CCO)Cc2nccn2C)n1 244873144 WKRNJXMBKQJQRU-UHFFFAOYSA-N 260.341 1.118 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@@H](c1nccn1C)C1CC1 341700679 JASMBXLGZYNILY-GFCCVEGCSA-N 258.325 1.938 0 50 CDAA O=C(Cc1c[nH]c2ccccc12)NCC(=O)NC1CCCC1 243749768 PWAXLEYNPMKQHJ-UHFFFAOYSA-N 299.374 1.885 0 50 CDAA CC[C@H](C(=O)NCc1ccc(C(=O)NC)o1)N1CCCC1 244594259 DJKQRXQQKUABHX-GFCCVEGCSA-N 293.367 1.130 0 50 CDAA CO[C@H]1CCN(CCN2CCN(c3ccccc3)CC2)C1 244595070 DOCUDDMQMLNTBY-KRWDZBQOSA-N 289.423 1.529 0 50 CDAA CCCCNC(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 244795003 QXVYWZOMGLLDEV-BPLDGKMQSA-N 291.395 1.863 0 50 CDAA O=C(NCCc1cscn1)N[C@H]1CCCOCC1 181699154 VIFHUNSIOIOQDD-JTQLQIEISA-N 269.370 1.554 0 50 CDAA Cc1nnsc1CN(C)C(=O)COC[C@H]1CCCCO1 243892983 ANDWIWGYQGZRLS-LLVKDONJSA-N 299.396 1.391 0 50 CDAA Cn1nccc1[C@H](CO)NC(=O)c1ccc(F)cc1 622693804 WXOGQULSFRKBGQ-NSHDSACASA-N 263.272 1.023 0 50 CDAA CC[C@H](C(=O)O)N(c1cccc(OC)c1)S(C)(=O)=O 252535898 HCYBEWZIHNVOGF-LLVKDONJSA-N 287.337 1.324 0 50 CDAA O=C(c1cccc(F)c1Cl)N1CCO[C@H]2CNC[C@H]21 299744865 VBAIOJRUNQPZSK-MNOVXSKESA-N 284.718 1.292 0 50 CDAA C[C@H]1CC[C@@H](C)N1[C@H]1CS(=O)(=O)[C@@]12C[C@H]1C=C[C@H]2C1 257358664 VSEHSZRGTJJURI-JLZCTACVSA-N 281.421 1.991 0 50 CDAA CN(CCC(=O)O)C(=O)[C@H]1SCCc2ccccc21 299750037 MMFQORFYKSYJAD-ZDUSSCGKSA-N 279.361 1.950 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)COCC1CC1 299748782 IDVTVXAITUULDO-UPJWGTAASA-N 281.352 1.657 0 50 CDAA O=C(CCCCCn1cccc1)N[C@H]1CCS(=O)(=O)C1 604419364 DOQWKDHROHDOOO-ZDUSSCGKSA-N 298.408 1.352 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCO1 299748804 IFWUIMCWRGINJM-MGPQQGTHSA-N 295.379 1.905 0 50 CDAA O=C1[C@@H]2CC[C@@H]3C(=O)[C@@]4(Br)CC[C@@H]1[C@H]4[C@H]32 257355360 AJRCFKIIGWKVBG-PEFUKATBSA-N 269.138 1.954 0 50 CDAA Cc1cccn2c(CNC(=O)[C@@H]3CCOC3)cnc12 534644254 OXURFBYUONHICQ-LLVKDONJSA-N 259.309 1.295 0 50 CDAA Cc1nccn1CC1CCN([C@@H](C)C(=O)N(C)C)CC1 299779820 RTCCQBRMWCDXII-LBPRGKRZSA-N 278.400 1.380 0 50 CDAA Cc1cc(NC(=O)NCCc2c[nH]cn2)n(CC(C)C)n1 299796811 NZFDMXFBJIREIU-UHFFFAOYSA-N 290.371 1.935 0 50 CDAA CCc1csc(CNC(=O)c2cc3ncccn3n2)n1 823542965 NFBFIFKXQJXHDN-UHFFFAOYSA-N 287.348 1.678 0 50 CDAA CN(C)[C@H](C(=O)N[C@H]1CC[C@@H](N)CC1)c1ccccc1F 827523353 SXVPOQYFEBJGGN-ZOWXZIJZSA-N 293.386 1.815 0 50 CDAA CCCc1ncncc1-c1nc(C(C)C)nn1CCO 823018920 AWWIHAOXEOLKLC-UHFFFAOYSA-N 275.356 1.803 0 50 CDAA C[C@H]1Cc2cc(NC(=O)C3=NN(C)C(=O)CC3)ccc2O1 822512856 NEZVFQFPUPNWBG-VIFPVBQESA-N 287.319 1.557 0 50 CDAA O=c1c2cccnc2ncn1C[C@H](CO)Cc1ccco1 584899520 YHHPLFYRUKVXIH-LLVKDONJSA-N 285.303 1.236 0 50 CDAA CCc1csc(CNC(=O)C(C)(C)N2CCOCC2)n1 670469127 SGUHINGNIWCJKC-UHFFFAOYSA-N 297.424 1.433 0 50 CDAA CC[C@@H](C)[C@@H](NC(=O)NC(C)(C)CC(N)=O)C(F)(F)F 585135896 HOUJOOLJRKQDDU-VXNVDRBHSA-N 297.321 1.917 0 50 CDAA Cc1ncc(C(C)C)c(NCC2(O)CCN(C)CC2)n1 670467125 VWHRLTNEDPFWEB-UHFFFAOYSA-N 278.400 1.777 0 50 CDAA CC(C)n1cnnc1CN1CCC[C@H](c2nc[nH]n2)C1 670447525 ODHOJMDYVPRSSP-NSHDSACASA-N 275.360 1.357 0 50 CDAA CCOC(=O)c1cccnc1N1CCC(C(=O)OC)CC1 44713508 QRBWBYHUMMSSQE-UHFFFAOYSA-N 292.335 1.648 0 50 CDAA in-vitro CC(C)(F)CNC(=O)[C@H]1NCCOc2ccccc21 1342347745 JIXXEPANDFXCGP-LBPRGKRZSA-N 266.316 1.574 0 50 CDAA CCOc1ncccc1C(=O)N1CC[C@H]([C@H](F)C(=O)O)C1 1548596604 BMGUCDSSZZSYER-ONGXEEELSA-N 296.298 1.365 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2c(C)noc2C)C1 1548977367 ISZYEJLXTXQYAD-GHMZBOCLSA-N 290.323 1.617 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccnc(NC)c1 1565516707 ZFQNBTHSTOLXFU-RYUDHWBXSA-N 279.340 1.047 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCc1nnc2ccccn12 408474564 FBFZEMSBOIBWJE-VXGBXAGGSA-N 288.351 1.551 0 50 CDAA O=C(Cc1csc(-c2ccccn2)n1)N1CCCCN1 408516743 VLHNMVNINVUPKI-UHFFFAOYSA-N 288.376 1.875 0 50 CDAA COc1cc2ccn(CC3(CO)COC3)c(=O)c2cc1F 165496559 NUNPBXCPUOTNDM-UHFFFAOYSA-N 293.294 1.158 0 50 CDAA Cc1ccc(S(N)(=O)=O)c(N2C[C@H](C)[C@@](C)(CO)C2)c1 631373181 UUUZJTMPFRLPFT-SMDDNHRTSA-N 298.408 1.097 0 50 CDAA Cc1ccccc1CCC(=O)N=c1ccn([C@@H]2CCNC2)[nH]1 548017497 IXTXBNKTYJLLQQ-OAHLLOKOSA-N 298.390 1.719 0 50 CDAA O=C1CC[C@@H]2CN(c3ncnc4[nH]ccc34)CC[C@H]2N1 664337815 CMECUHUPYXMDIP-MWLCHTKSSA-N 271.324 1.063 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2COC[C@@H]2c2ccccc2)C[C@@H]1CN 638905240 RCXOSJPWTRDWDB-SLBVQIDZSA-N 288.391 1.470 0 50 CDAA CCn1cc(OC(=O)[C@@H]2CC(=O)Nc3ccccc32)cn1 192009613 ROWFXKVOAMODQL-GFCCVEGCSA-N 285.303 1.934 0 50 CDAA O=C(NCC[C@@H]1CCCO1)c1ccnn1CC(F)(F)F 648121017 CMINFFHZQJICMR-VIFPVBQESA-N 291.273 1.744 0 50 CDAA C/C(=C\C(=O)N1CCO[C@H](C(=O)O)C1)c1cccc(F)c1 584908058 NDSBZVPWVBIVCT-RSPDNQDQSA-N 293.294 1.541 0 50 CDAA CCOC1(c2nc(-c3nc(=N)cc[nH]3)no2)CCCC1 585085403 FTYWIBDNANPJDR-UHFFFAOYSA-N 275.312 1.745 0 50 CDAA CCn1ccnc1[C@@H](C)NC(=O)c1ccc(C(N)=O)cc1 585087673 FNICBZDDZLQMQS-SNVBAGLBSA-N 286.335 1.493 0 50 CDAA O=C(NCc1nccs1)C12CCCN(CCC1)C2 585121014 BWSGXSHWOIVGRN-UHFFFAOYSA-N 265.382 1.635 0 50 CDAA C[C@H](CNC(=O)c1ccncc1Cl)N1CCCCC1=O 194252909 UDQDEEOZXRZQGG-SNVBAGLBSA-N 295.770 1.866 0 50 CDAA CCOC(=O)[C@]1(C(C)C)CCN(Cc2nnc(C)n2C)C1 194881705 ZDCNCTSWSRZIRT-OAHLLOKOSA-N 294.399 1.535 0 50 CDAA CNC(=O)c1cnc(/C=C/c2cnn3c2CCC3)s1 656612880 NEYMXCCFSHPWKP-SNAWJCMRSA-N 274.349 1.816 0 50 CDAA CCOCCCC(=O)N1CC[C@]2(CCCN2C)C1 1615003634 ZFTTYMYDRPZCFN-CQSZACIVSA-N 254.374 1.500 0 50 CDAA Cc1cccnc1CNC(=O)[C@H]1NCCOc2ccccc21 1615616263 ZHUHCZVNIYEOEI-INIZCTEOSA-N 297.358 1.730 0 50 CDAA O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1C1(O)CC1 1772810503 KLOIGPDGZMFRFJ-LBPRGKRZSA-N 271.320 1.692 0 50 CDAA O=C(O)c1ccccc1CN1CCC[C@@H]1C1(O)CC1 1772807004 NZNZBYJRMWBVMR-CYBMUJFWSA-N 261.321 1.874 0 50 CDAA CC=CCS(=O)(=O)[C@H](C)C(=O)NC1CCCC1 1857528194 WDBNCOXBXKUMMD-SNVBAGLBSA-N 259.371 1.425 0 50 CDAA CCC[C@H](NC(C)=O)C(=O)Nc1cnn(C(C)C)c1 1529151596 KGMSXKDCEZPPNU-LBPRGKRZSA-N 266.345 1.707 0 50 CDAA CC(C)N1C(=O)CO[C@H](C(=O)N(C)C)[C@H]1c1ccccc1 1529105908 JWOXWIJSLFNALZ-CABCVRRESA-N 290.363 1.452 0 50 CDAA C[C@@](NC(=O)c1ccc2c(c1)COC2)(C(=O)O)C1CC1 111305189 DHXKOFIGTXSAMC-HNNXBMFYSA-N 275.304 1.700 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(CC(C)(C)C)n2CC1 601044337 OVOFEVWQRNTEAN-SNVBAGLBSA-N 265.357 1.992 0 50 CDAA O=C(O)C1(C(=O)NCCc2c(F)cccc2F)CC1 154807212 RNLVTTVVKIWQPS-UHFFFAOYSA-N 269.247 1.488 0 50 CDAA CC(=O)NCCc1nc(-c2ccc(O)cc2O)cs1 157240526 HXKOLAFVIKNQDI-UHFFFAOYSA-N 278.333 1.900 0 50 CDAA CC(C)(C)c1cc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)[nH]n1 1775981709 NHGHAMTYUYXSNG-MEBBXXQBSA-N 293.367 1.240 0 50 CDAA COC(=O)c1sc(N)c(C(=O)OC(C)C)c1C 5921397 WSHBOZGUVXCKGC-UHFFFAOYSA-N 257.311 1.991 0 50 CDAA O=C(NCC(F)(F)F)[C@H]1CCC(=O)N(C2CCCC2)C1 12050032 ZHOZJXGWUNPOAP-VIFPVBQESA-N 292.301 1.846 0 50 CDAA Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1F 164507288 RAUCBYXWKZGYAZ-SNVBAGLBSA-N 251.257 1.823 0 50 CDAA O=C(CN1C(=O)COc2ccccc21)Nc1ccccc1O 15019018 NWSOLODMOGWSIQ-UHFFFAOYSA-N 298.298 1.756 0 50 CDAA O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc(Cl)cc1 18121931 VUUYIVFBZHZPAH-GFCCVEGCSA-N 294.738 1.304 0 50 CDAA CCc1ncc(C(=O)NCc2cccc(C(=O)O)c2)[nH]1 1857527738 RVTCDTXFAKFGPF-UHFFFAOYSA-N 273.292 1.600 0 50 CDAA Cc1ncsc1CN1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857709519 CCQNCUFCPKSSRY-OCCSQVGLSA-N 293.392 1.375 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCc3ncnn3C1)C2 1857724689 NCEMPEKFZBKHGU-LLVKDONJSA-N 283.335 1.086 0 50 CDAA CN=c1cc(-c2cnc3cccc(F)c3c2)[nH]c(=N)[nH]1 1875251495 OYFUEHSDTIHJRW-UHFFFAOYSA-N 269.283 1.707 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccccc1 104326776 QKZKKFXTPSCYQI-IGQOVBAYSA-N 253.301 1.994 0 50 CDAA in-vitro CC(C)NC1CCN(c2cc(=O)n3ccccc3n2)CC1 113247314 VBKYHESOMVOQPT-UHFFFAOYSA-N 286.379 1.661 0 50 CDAA Cc1cc(CN2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)on1 625906990 CMCUHNJSDRFOFT-BXKDBHETSA-N 278.312 1.636 0 50 CDAA CS(=O)(=O)N(Cc1cn2c(n1)CCCC2)CC1CC1 328628770 OBYANDXMRBZSCS-UHFFFAOYSA-N 283.397 1.391 0 50 CDAA Cc1ccc(O)c(C(=O)N2CCC[C@H](n3ccnn3)C2)c1 332347804 SADLKPBJJQLAOZ-LBPRGKRZSA-N 286.335 1.769 0 50 CDAA C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H](C)N1 153524030 CHYKCKHUINVEDF-TXEJJXNPSA-N 285.351 1.090 0 50 CDAA C[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1cccc(Cl)c1 262144115 SJULZCQJIBANKZ-CABZTGNLSA-N 297.738 1.756 0 50 CDAA CC1(N2CCC2)CCC(NC[C@@H](O)C2CC2)CC1 905601915 SPDDXHMBZWSZAX-SHARSMKWSA-N 252.402 1.754 0 50 CDAA O=C(O)CC1CCN(C(=O)c2cc3ncccn3n2)CC1 908680519 FIRKVTLTPMZJNW-UHFFFAOYSA-N 288.307 1.056 0 50 CDAA 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NHANSSSZCNPWIT-RWMBFGLXSA-N 284.425 1.788 0 50 CDAA CC(C)(C(=O)O)n1ccc(NC(=O)C[C@H]2CCOC2)n1 659204115 MWPAIJWYGWFWIW-SECBINFHSA-N 281.312 1.068 0 50 CDAA C[C@H](O)c1ncc(C(=O)NC2(C)CCOCC2)s1 774068540 KEXPKYFHRKIRBD-QMMMGPOBSA-N 270.354 1.495 0 50 CDAA CC(C)CCCN1CCC(NC(=O)CN(C)C)CC1 1615585627 FOUXMWGBOIUBKL-UHFFFAOYSA-N 269.433 1.565 0 50 CDAA COc1cccnc1C(=O)NC(C)(C)[C@@H](O)C(F)(F)F 1615548486 MVGRJOXWCNOYAV-SNVBAGLBSA-N 292.257 1.522 0 50 CDAA Cc1cn(C)nc1CNC(=O)c1ccc(OC(F)F)cn1 1615606114 RUBDBUAXGLZXOX-UHFFFAOYSA-N 296.277 1.655 0 50 CDAA O=C(c1c(F)cccc1Cl)N1C[C@H](O)[C@@H](F)C1 1615750735 MZMGJIKPYIXBRJ-IUCAKERBSA-N 261.655 1.634 0 50 CDAA CCOCCOc1cccc(C(=O)N2C[C@H](O)[C@@H](F)C2)c1 1616111201 VFUSGDAJFUYLDO-KBPBESRZSA-N 297.326 1.257 0 50 CDAA N[C@@H](CC(=O)O)C(=O)N1CCS[C@H](c2ccccc2)C1 1601201188 VTFPKYFMRBQWAD-RYUDHWBXSA-N 294.376 1.105 0 50 CDAA C[C@@H](c1ccccn1)N(C)C(=O)CCn1cnnc1 1506417277 HYAFQUJJMIGTSO-NSHDSACASA-N 259.313 1.283 0 50 CDAA CN(C)[C@H]1CN(c2ncc(Cl)cc2Cl)C[C@@H]1O 1506400735 KZVCAXGBMPIVJV-UWVGGRQHSA-N 276.167 1.500 0 50 CDAA Cc1nc(N)ncc1C(=O)N1CCOC2(CCCC2)C1 221353664 ZXXIZXMXRRTSNZ-UHFFFAOYSA-N 276.340 1.152 0 50 CDAA CC[C@@H](C)CN(C)C(=O)CSc1ncnc2[nH]cnc12 1875335545 SZZZYSQVYSBOQI-SECBINFHSA-N 293.396 1.950 0 50 CDAA NC[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 226279577 KBEYTLNCERZJNI-LBPRGKRZSA-N 273.336 1.135 0 50 CDAA O=C1O[C@@H](CO)CN1c1ccc(Br)c(F)c1 26896135 UGBKYDASQNOIHP-SSDOTTSWSA-N 290.088 1.906 0 50 CDAA in-vitro CCCN(CC(=O)O)C(=O)c1cncnc1C(C)C 262363834 JTHHXIUIUYWUGT-UHFFFAOYSA-N 265.313 1.537 0 50 CDAA CS(=O)(=O)[C@H]1CCC[C@@H](NCc2ccc(CO)cc2)C1 227474918 OOMPPCKFIKGJAF-CABCVRRESA-N 297.420 1.624 0 50 CDAA COC(=O)C1(NC(=O)C2CCC(F)(F)CC2)CC1 119203412 ZEBNPMZFPAAHDR-UHFFFAOYSA-N 261.268 1.634 0 50 CDAA C[C@H](C(=O)NC(N)=O)N1CC[C@@H](c2ccccc2)C1 229209710 DXKAEYATPCLLET-ZYHUDNBSSA-N 261.325 1.059 0 50 CDAA CC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 4937392 IWVVKVAIDCJILO-UHFFFAOYSA-N 290.344 1.763 0 50 CDAA Cn1cnc2cc(C(=O)N3C[C@@H]4C[C@@]4(C)C3)ccc2c1=O 1772814613 JYIWPPGSWUHBDD-ZBEGNZNMSA-N 283.331 1.416 0 50 CDAA CC[C@H]1CN(C[C@H]2CCCCO2)CCN1CCOC 247134680 KPPNWDCVDXNCCP-LSDHHAIUSA-N 270.417 1.598 0 50 CDAA Cc1nc[nH]c1CC(=O)N(C)[C@H](C)c1nccs1 1857690197 FIVIMLUGKQTTRX-SECBINFHSA-N 264.354 1.937 0 50 CDAA CC(=O)Nc1ncc(S(=O)(=O)NC2CCCC2)s1 12379793 UMITZHHCSOLUGO-UHFFFAOYSA-N 289.382 1.322 0 50 CDAA OCCN1CCN(Cc2ccc(Cl)cc2)CC1 19607223 XSWJBDCPYRNBIG-UHFFFAOYSA-N 254.761 1.450 0 50 CDAA O=C(c1cccnc1)N1CCN(Cc2cccnc2)CC1 19723126 PUSOUFAESSIWBV-UHFFFAOYSA-N 282.347 1.435 0 50 CDAA Cc1ccc(F)cc1NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 169300981 KBTYMRLQHKKWIC-LPWJVIDDSA-N 293.294 1.951 0 50 CDAA COc1ccc(-c2nccn2[C@H]2CCNC[C@@H]2O)c(F)c1 1857698355 MZGOEZJVMUXOBM-KBPBESRZSA-N 291.326 1.593 0 50 CDAA C[C@@H]1CN2C[C@@H](NC(=O)c3c(F)cccc3F)C[C@H]2CO1 1857701395 QADZBUGPAHNDRH-VWYCJHECSA-N 296.317 1.556 0 50 CDAA CC(C)Cc1nc(C(=O)N2CC3CC2(C(N)=O)C3)cs1 606444934 PTPUQEFKRFKIOO-UHFFFAOYSA-N 293.392 1.432 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccnc(OC)c1 408474889 XAEPULWDZDOYQO-CHWSQXEVSA-N 278.352 1.912 0 50 CDAA C[C@@H](CC(F)F)C(=O)N=c1ccn(Cc2ccncc2)[nH]1 411792048 QGTSFHQMASBMPQ-JTQLQIEISA-N 294.305 1.978 0 50 CDAA O=C1C[C@@]2(CCCN(c3ncnc4[nH]ccc34)C2)CN1 525707527 ILUODIBELYIEFA-AWEZNQCLSA-N 271.324 1.064 0 50 CDAA O=C([C@@H]1C[C@]12CCOC2)N1CCCc2occc2C1 334142389 NXGHFCSZMUOYCA-WFASDCNBSA-N 261.321 1.981 0 50 CDAA Cc1nc([C@@H]2COCCN2C(=O)Cc2ccccc2)no1 369281095 VCKCTDIYFVMDKI-ZDUSSCGKSA-N 287.319 1.521 0 50 CDAA COc1cc(CN2CC[C@H](n3cc(C4CC4)nn3)C2)on1 824856685 BRIOZLPGMNVFSV-NSHDSACASA-N 289.339 1.599 0 50 CDAA c1c[nH]c(C2CCN(C[C@@H]3COCCO3)CC2)n1 929803163 CJAXQHYIXOLAGG-GFCCVEGCSA-N 251.330 1.005 0 50 CDAA O=C(N[C@@H]1CCn2cncc21)c1cc(O)nc(C2CC2)n1 857977795 HHQVPKCZDZXSIU-SECBINFHSA-N 285.307 1.131 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CCC2(CCOCC2)NC1 1857781207 WHOUQTGVMJVZMW-NSHDSACASA-N 270.373 1.812 0 50 CDAA C=CC(=O)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 863971250 LRSBRCXATGJQMN-CQSZACIVSA-N 298.346 1.412 0 50 CDAA c1cnc2c(=NCC3CC4(CCOC4)C3)[nH]cnc2n1 1875281360 MGAWDDUDYXLHQF-UHFFFAOYSA-N 271.324 1.070 0 50 CDAA Cc1ccc(C(=O)NCC(=O)NCc2cc(C)ccn2)cc1 1875258593 HRCMFBVAFLCFDT-UHFFFAOYSA-N 297.358 1.745 0 50 CDAA C[C@@H](NC(=O)/C=C/CN(C)C)c1cc(C(F)(F)F)n[nH]1 1875376739 GXTKRRCZEKMFHC-WTSVBCDHSA-N 290.289 1.724 0 50 CDAA COC1CC(NC(=O)c2c3c(nn2C)[C@H](C)O[C@H](C)C3)C1 1875314168 KQAHLYHHAGPLRY-MFQSTILNSA-N 293.367 1.350 0 50 CDAA C[C@@]1(c2ccccc2F)C[C@H]1C(=O)NS(C)(=O)=O 1875390977 CZKNZQFMNBJWDI-CABZTGNLSA-N 271.313 1.179 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2[C@H]2CCCCO2)C1 260313939 LGBGXVZENWFPTL-VHSXEESVSA-N 265.313 1.255 0 50 CDAA COCCO[C@@H]1CCCN(C(=O)c2cccc(O)n2)C1 330445900 XKZIIORBYBXPOM-LLVKDONJSA-N 280.324 1.055 0 50 CDAA Cc1ccc2[nH]c(C(=O)NCCc3cnn[nH]3)cc2c1 426533869 UQYCWTHZISOUBT-UHFFFAOYSA-N 269.308 1.567 0 50 CDAA CCC[C@H](CNC(=O)c1ccc(F)c(O)c1)N(C)C 534577659 XFNMJIXETLUVFE-LLVKDONJSA-N 268.332 1.991 0 50 CDAA O[C@@]1(CNc2ncccc2C(F)(F)F)CCCNC1 534645506 ZGCCJZPLVBICOG-NSHDSACASA-N 275.274 1.627 0 50 CDAA Cc1conc1C(=O)NC[C@@H](CC1CC1)C(=O)O 630201586 PWGXXKZCLUUZKX-SECBINFHSA-N 252.270 1.214 0 50 CDAA Cc1cc(C)n(CCCN(C)Cc2nnc(C)o2)n1 670455594 CTBCKFHAIYYZEQ-UHFFFAOYSA-N 263.345 1.713 0 50 CDAA O=C(Nc1cccc2c(O)nccc12)N1C[C@@H](O)[C@H](F)C1 2325769456 FVRUXBNLDYOUNZ-ZYHUDNBSSA-N 291.282 1.487 0 50 CDAA COc1ccc([C@@H](C)C(=O)N2CC(C)(C(N)=O)C2)c(C)c1 2325791507 FXIYZELDRLOILK-LLVKDONJSA-N 290.363 1.441 0 50 CDAA CN(C(=O)c1cnc(NC2CC2)s1)c1cn[nH]c1 900914520 HPXUROBUZVIEHW-UHFFFAOYSA-N 263.326 1.717 0 50 CDAA Cc1cccc(C)c1CCNC(=O)[C@H]1CCNC(=O)C1 129439052 OBBCODCIWZRLKD-ZDUSSCGKSA-N 274.364 1.488 0 50 CDAA CCc1nccn1S(=O)(=O)c1ccc(OC)cc1 49504 DCGDLSCLNKODFU-UHFFFAOYSA-N 266.322 1.691 0 50 CDAA COc1ccc(OC)c(S(=O)(=O)n2ccnc2C)c1 182457 HEUNRQGUTOSCPG-UHFFFAOYSA-N 282.321 1.446 0 50 CDAA COc1ccc(OC)c(S(=O)(=O)n2cnc(C)c2)c1 283155 XZBYKMHEUNXKST-UHFFFAOYSA-N 282.321 1.446 0 50 CDAA O=C(Cc1ccc(F)cc1)N[C@@H]1CCSC1=O 303770 FVBFSDFMOWPXTK-SNVBAGLBSA-N 253.298 1.517 0 50 CDAA CCOC(=O)[C@H]1C(=O)OC2(CCCC2)[C@H]1C(=O)OCC 306591 AYZLVVNNSNFGQM-VHSXEESVSA-N 284.308 1.215 0 50 CDAA CCS(=O)(=O)n1nc(-c2ccc(C)cc2)nc1N 350275 FNOXDPQOAVFNOA-UHFFFAOYSA-N 266.326 1.034 0 50 CDAA COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(O)c1 463343 RWUFQCVPDQGVDD-GFCCVEGCSA-N 292.360 1.700 0 50 CDAA CCCn1nnc(NC(=O)c2ccc(OC)c(Cl)c2)n1 530022 WDCKSJCPVMGUPJ-UHFFFAOYSA-N 295.730 1.997 0 50 CDAA CC(C)(C)CC(=O)N1CCN(c2ncccn2)CC1 1053472 ZHQCEGDPANFHBB-UHFFFAOYSA-N 262.357 1.561 0 50 CDAA CC(C)(C)OC(=O)N1CCC(OCC(=O)O)CC1 1420805 YHUAHIMRWSVXCN-UHFFFAOYSA-N 259.302 1.487 0 50 CDAA Cn1ccc2cc(CN3C[C@@H]4CNC(=O)[C@@H]4C3)ccc21 2356136316 PHXMUPKZSNNSGO-UONOGXRCSA-N 269.348 1.356 0 50 CDAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C(C)(C)C 2700150 XWFAQOJESVSXQM-GFCCVEGCSA-N 279.336 1.639 0 50 CDAA Nc1cncc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)n1 2356169564 UXAOINWDGQWOFK-ZDUSSCGKSA-N 298.346 1.635 0 50 CDAA Cc1noc(C)c1CN(C)c1ncc2c(ncn2C)n1 2356169814 HROPICNJTIBAIE-UHFFFAOYSA-N 272.312 1.605 0 50 CDAA Cc1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1 2958418 OVQQAZQDCUBNTR-UHFFFAOYSA-N 282.343 1.928 0 50 CDAA CCn1c(SCC(N)=O)nnc1-c1cccc(OC)c1 3364293 RFWXRPKVWPCHQI-UHFFFAOYSA-N 292.364 1.551 0 50 CDAA COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCNC2 4102384 AIXQQSTVOSFSMO-RBOXIYTFSA-N 273.332 1.508 0 50 CDAA in-vitro CN1C(=O)c2ccc(C(=O)NCc3ccccn3)cc2C1=O 4840977 QZOXAOFFFKSOTM-UHFFFAOYSA-N 295.298 1.237 0 50 CDAA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(O)c1 7939448 RLXWXGNOGWNJSS-UYYQOPGSSA-N 273.288 1.528 0 50 CDAA C[C@H]1CCN2C(=O)N(c3nccs3)C(=O)[C@@H]2C1 225453213 ZUTBDSZVHMAQIX-YUMQZZPRSA-N 251.311 1.710 0 50 CDAA COCCC1(C(=O)N2CC(N(C)C)C2)CCCC1 134961087 IKIFEFIJTWXVJC-UHFFFAOYSA-N 254.374 1.356 0 50 CDAA Cc1ncc(C(=O)N2CCCC[C@H]2[C@H](C)N)s1 226194389 UPUDLUZHBSBYLH-WPRPVWTQSA-N 253.371 1.793 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCn1cncn1 248145589 RTZWUGMDIFUEPE-ZIAGYGMSSA-N 291.399 1.144 0 50 CDAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCO1 20202913 JYEHWVINOYNHHY-CQSZACIVSA-N 288.347 1.609 0 50 CDAA O=C(NCCc1nc2c(s1)CCCC2)c1c[nH]nn1 171270339 VVQXZPAIVJWYSE-UHFFFAOYSA-N 277.353 1.113 0 50 CDAA Cc1cc(C(=O)NC(C)C)ccc1NS(C)(=O)=O 10315035 PRQAOEUKNNWKHO-UHFFFAOYSA-N 270.354 1.505 0 50 CDAA CS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]1c1ccccc1 67514371 DOTREAYMVMNDOX-NWDGAFQWSA-N 267.350 1.093 0 50 CDAA CC[C@H](OC)c1n[nH]c(=O)n1Cc1cccc(OC)c1 65434280 QDFIIMGQMMQUPS-LBPRGKRZSA-N 277.324 1.726 0 50 CDAA C[C@H](Cc1ccccc1F)NN1CCN(C)CC1 23280927 YLZJOSVFXYQDAL-GFCCVEGCSA-N 251.349 1.509 0 50 CDAA CC(C)(C)c1nn(CC(N)=O)cc1Br 408525288 UFLYSJYYQLCYKC-UHFFFAOYSA-N 260.135 1.428 0 50 CDAA CC(C)Oc1cc(N[C@H]2CCCC[C@@H]2O)nc(N)n1 65527277 HUAWRPWWSUINQP-UWVGGRQHSA-N 266.345 1.561 0 50 CDAA Cc1cc(=O)[nH]c(CCN[C@@H](C)COc2ccccc2)n1 67712996 MJAVKEINTLDLJI-ZDUSSCGKSA-N 287.363 1.678 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2cccc3cn[nH]c23)C1 238095671 IHPJHFMIIQKNNR-VIFPVBQESA-N 259.265 1.110 0 50 CDAA Cn1ncc2c(N)nc(N3CCC4(CCCC4)C3)nc21 302905477 VVNGKJQZSKJAMN-UHFFFAOYSA-N 272.356 1.716 0 50 CDAA COc1cccc([C@H](C)N(C)C(=O)CN2CCOC2=O)c1 67847165 SYMGUYYJRYFYIE-NSHDSACASA-N 292.335 1.667 0 50 CDAA CC[C@@](C)(CC(=O)O)NC(=O)/C=C/c1cnn(C)c1 119573400 WFKRVKJQUJNFID-GFUIURDCSA-N 265.313 1.193 0 50 CDAA COCc1noc([C@H](C)N2CC[C@@H](C)[C@H](OC)C2)n1 251547557 DXHOJXHSHUACBD-OUAUKWLOSA-N 269.345 1.634 0 50 CDAA COC(=O)CC[C@@H]1CCCCN1C(=O)c1[nH]cnc1C 71763807 AVSKFXKMKYMCPS-NSHDSACASA-N 279.340 1.666 0 50 CDAA CN1CCC(CNC(=O)CCCN2CCCC2)CC1 73244799 SKLHMQZFKXNUPB-UHFFFAOYSA-N 267.417 1.320 0 50 CDAA Cc1nc2ccc(S(=O)(=O)N3CC(C)(O)C3)cc2s1 330209913 HYDZLPPTEYGGEA-UHFFFAOYSA-N 298.389 1.360 0 50 CDAA CCN(C(=O)COC1CCOCC1)c1cccnc1 329681515 YHPYNFQTOAFHAX-UHFFFAOYSA-N 264.325 1.630 0 50 CDAA CC(C)NC(=O)[C@H]1C(=O)[C@H](C)N(Cc2ccccc2)C1=O 122136319 DTTLABNRFSCHQI-WCQYABFASA-N 288.347 1.127 0 50 CDAA COc1ncccc1C(=O)N(C)C[C@@H]1CCCCO1 71315147 QPGVMFZUAPFRDH-NSHDSACASA-N 264.325 1.731 0 50 CDAA O=C1O[C@@H](CCN2CCOCC2)CN1Cc1ccccc1 71772197 JMJRSZMDWYUNHD-HNNXBMFYSA-N 290.363 1.730 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(Cc2cccn2C)CCO1 328637805 OVOQKPHUWUTRSO-MRXNPFEDSA-N 277.412 1.568 0 50 CDAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(C2CC2)n1 329813696 TWKXZUXCAMVOSW-HZMBPMFUSA-N 286.379 1.567 0 50 CDAA COc1cncc(S(=O)(=O)N2CCCC2(C)C)c1 281145968 AXBFPGXRJXMUGD-UHFFFAOYSA-N 270.354 1.653 0 50 CDAA CCOCc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1 262485473 BDFRBDICEYFCKG-STQMWFEESA-N 277.320 1.560 0 50 CDAA C[C@]1(C(=O)NC[C@@H](O)c2ccccc2Cl)CCNC1 151446081 DOZQNMNOEFYRMC-OCCSQVGLSA-N 282.771 1.489 0 50 CDAA CC(=O)Nc1ccsc1C(=O)N(C)CC1(CO)CCC1 71751784 KIGGUFUWGPXDQM-UHFFFAOYSA-N 296.392 1.941 0 50 CDAA Cc1nn(C)c2c1[C@H](c1cccc(O)c1)CC(=O)N2 72119100 GUYIGZZVFPHYRI-NSHDSACASA-N 257.293 1.908 0 50 CDAA CN(C)[C@H](C(=O)NC1CCNCC1)c1cccc(F)c1 218872758 GMKHTFWNKSHAFA-AWEZNQCLSA-N 279.359 1.297 0 50 CDAA O=C(Cc1cnccn1)N[C@@H]1COC2(CCCC2)C1 219326321 ATCMDSDOEQGXLX-LBPRGKRZSA-N 261.325 1.237 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3CC4)C[C@@H]21 333260020 IRXDZSRIVNUOGW-UGYDUONOSA-N 289.423 1.967 0 50 CDAA O=C(N=c1cc2n([nH]1)CCCC2)[C@@H]1CCc2ccccc2O1 334038141 NSXTZUAYCHVRQS-HNNXBMFYSA-N 297.358 1.974 0 50 CDAA Cc1cc(N[C@H](C(N)=O)C(C)C)n2nc(C)cc2n1 72431636 DWBSPIVOTNAHNP-LBPRGKRZSA-N 261.329 1.268 0 50 CDAA N=c1nc([C@@H]2CCCN(C(=O)/C=C/c3ccc[nH]3)C2)cc[nH]1 376048074 ZXFRKYDRLXHDKH-BTDICHCPSA-N 297.362 1.637 0 50 CDAA CC1(C)OC(=O)c2c1ccnc2NC[C@]1(O)CCOC1 374351540 MTLTURHUSJLPSN-CQSZACIVSA-N 278.308 1.050 0 50 CDAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCCN(C)C)c1 72117341 DFULERRZJVFIBU-ZDUSSCGKSA-N 264.369 1.749 0 50 CDAA Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@H]2C2CCNCC2)no1 377816693 KFRFRCYNWHBWNR-NWDGAFQWSA-N 292.383 1.365 0 50 CDAA CCCn1cc(CN(C)[C@@H](C)C(=O)N(C)C)c(C)n1 223418070 CHCNHUSMJHBPFZ-LBPRGKRZSA-N 266.389 1.510 0 50 CDAA O=C(CN1CC[C@H](c2ccccc2)NC1=O)N1CC(F)C1 613445043 GCDVBZOHIINSIB-CYBMUJFWSA-N 291.326 1.323 0 50 CDAA O=C(CCc1ccc(O)cc1)N[C@H]1C[C@@H]2OCC[C@H]12 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CDAA COCCOCC(=O)N1CC(Oc2c(C)cccc2C)C1 91848293 QPOHWGCFJPOVEW-UHFFFAOYSA-N 293.363 1.556 0 50 CDAA O=C(Cc1ccc2c(c1)OCCO2)NC1(CO)CCCC1 179406330 IQSUGGZEJASISC-UHFFFAOYSA-N 291.347 1.422 0 50 CDAA Nc1c(-c2ccc3c(c2)OCO3)nc2cnccn12 96027820 DUGPZJUUBOMVEG-UHFFFAOYSA-N 254.249 1.707 0 50 CDAA C[C@@]1(c2ccccc2)CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1 95524618 BLSXBIMRRHZJPI-QGZVFWFLSA-N 299.374 1.617 0 50 CDAA Cc1cncc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(C)C)C2)c1 91305080 PLEBZKDGABXWRM-QWHCGFSZSA-N 276.336 1.819 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1Nc1cc(C2CC2)ncn1 95376329 XDDCMCJGGNMZPQ-STQMWFEESA-N 262.357 1.485 0 50 CDAA CCc1nnc(CN(C)CCC(=O)Nc2nccs2)o1 244787796 QDVJXBIQGRDCIE-UHFFFAOYSA-N 295.368 1.549 0 50 CDAA Cc1cccc(CNC(=O)CN(C(C)C)C2COC2)c1 295058612 BCRWXIKQOCXLMO-UHFFFAOYSA-N 276.380 1.720 0 50 CDAA Cc1ccc(CCC(=O)N[C@H]2CCCNC2=O)s1 295630813 CEHNFDPSRIXFIV-NSHDSACASA-N 266.366 1.384 0 50 CDAA CC[C@H](C(=O)O)N(c1cc(C)cc(C)c1)S(C)(=O)=O 252535845 HAKYWKYWOUDRDZ-GFCCVEGCSA-N 285.365 1.933 0 50 CDAA CCn1c(C)cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c1C 534657429 IVAUJZIZDZXLOA-TZMCWYRMSA-N 289.379 1.675 0 50 CDAA Cc1nc([C@H]2CCCN(Cc3nc(C4CC4)no3)C2)n[nH]1 268478367 NONHURNNNVDOTK-NSHDSACASA-N 288.355 1.753 0 50 CDAA CCC[C@H](CNC(=O)c1ccc(O)c(F)c1)N(C)C 534641463 VAFOAITXVSSQPX-LLVKDONJSA-N 268.332 1.991 0 50 CDAA CN(CCc1noc(C2CC2)n1)C(=O)c1ncccc1O 299774685 FUFTUUPOYQIDJY-UHFFFAOYSA-N 288.307 1.362 0 50 CDAA O=C1CC[C@@H]2CNCC[C@@H]2N1Cc1ccc2c(c1)OCO2 299783386 YVQCKXWFXVXEEH-OLZOCXBDSA-N 288.347 1.516 0 50 CDAA CCN1CCC[C@H](CN(C)C(=O)c2cncnc2)C1 299775521 KFKTYCGOGMTUIG-GFCCVEGCSA-N 262.357 1.281 0 50 CDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(CCn1nc(C)cc1C)CC2 299799323 FRDPMBYBFHBZHX-HRCADAONSA-N 293.411 1.504 0 50 CDAA CC(C)C1=NO[C@@H](C(=O)NCCCc2ccccn2)C1 827791990 PZPKJIHUIBVHRL-CQSZACIVSA-N 275.352 1.931 0 50 CDAA Cc1nnc(CCn2cnc3cccc(F)c3c2=O)s1 584886590 VWOVWLWJCJYRCK-UHFFFAOYSA-N 290.323 1.938 0 50 CDAA COCC[C@@H]1CN(C(=O)C2(COC)CCC2)CCO1 584898466 FXSCCKLYYAXJTO-GFCCVEGCSA-N 271.357 1.067 0 50 CDAA c1cnc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)nc1 1325750517 FGKUDGKIKFEXQN-UHFFFAOYSA-N 282.259 1.965 0 50 CDAA Cc1[nH]nc(CN[C@@H](C(N)=O)c2ccc(Cl)cc2)c1C 1414122133 YTHXKEDXPVUWOQ-CYBMUJFWSA-N 292.770 1.996 0 50 CDAA Cn1nc(C(F)(F)F)cc1CN1C[C@H]2CCC[C@]2(N)C1 864055639 USCZZIJLDJTEMU-SKDRFNHKSA-N 288.317 1.752 0 50 CDAA N[C@H]1CN(C(=O)NCc2ccc(F)cn2)CC12CCC2 1553463445 KVSHOFVOGMSBOE-LBPRGKRZSA-N 278.331 1.244 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)([C@@H](N)C2CCCCC2)C1 958528897 YDLJQAIWESJSCG-LBPRGKRZSA-N 284.400 1.876 0 50 CDAA Cc1nc2ccc(C(=O)N3C[C@@H](O)[C@H](F)C3)cc2nc1C 952963585 LECWEHZEUVBYQL-BXUZGUMPSA-N 289.310 1.401 0 50 CDAA CCN(C(=O)c1nccn1C)[C@@H]1CCCC[C@H]1O 952965240 CZFNJKBRWAQMPH-GHMZBOCLSA-N 251.330 1.186 0 50 CDAA Cc1cc(C(=O)NCCNc2ncccc2C)nc(C)n1 952860037 APTQZTRBAHCQTK-UHFFFAOYSA-N 285.351 1.639 0 50 CDAA Cc1cc(C(=O)N2CCO[C@@H](c3ccco3)C2)nc(C)n1 408197866 KFOYLUQVXNGUDC-CQSZACIVSA-N 287.319 1.900 0 50 CDAA CCOc1cccc(NC(=O)C(=O)N(C)C(C)C)c1 163501306 DUOUCIQORMSBBR-UHFFFAOYSA-N 264.325 1.891 0 50 CDAA C/C(=C\C(=O)N1CCO[C@H](CC(=O)O)C1)C1CC1 271907773 OOIXBNUUKVRWCS-OALRPVAKSA-N 253.298 1.045 0 50 CDAA CCOC(=O)C1(N)CCN(C(=O)OC(C)(C)C)CC1 96321137 PFPVWWBMUMUPSZ-UHFFFAOYSA-N 272.345 1.278 0 50 CDAA in-vitro CS[C@H](C)CC(=O)N1CCN(C)[C@H](c2nccn2C)C1 276738794 RHFZOONNBSQSCK-NEPJUHHUSA-N 296.440 1.377 0 50 CDAA Cc1nnccc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 547665588 JHIFYNJAZPVOEZ-GFCCVEGCSA-N 290.367 1.114 0 50 CDAA O=C(C1CC1)N1CCN(Cc2cccc(F)c2)CC1 16604898 AMKRJCUNQWANKK-UHFFFAOYSA-N 262.328 1.880 0 50 CDAA CN1CC[C@@H](N(C)CC2(O)CCCCCC2)C1=O 187343804 ZSLRHCYOLMXXBS-GFCCVEGCSA-N 254.374 1.234 0 50 CDAA O=C(c1c[nH]nc1-c1ccsc1)N1CCC(CO)CC1 188812385 LEBBFRSCYWXVHT-UHFFFAOYSA-N 291.376 1.983 0 50 CDAA CC(=O)N[C@H]1CCCN(Cc2cccc3c2CCOC3)C1 639454090 OZYKEGBYEHOFRC-INIZCTEOSA-N 288.391 1.860 0 50 CDAA CC(C)c1cc(C(=O)Nc2cnns2)nn1C 189566151 MMPAXTHFJHFEFZ-UHFFFAOYSA-N 251.315 1.647 0 50 CDAA C=CC(=O)NCCC(=O)N1C2CCCC1CCC2 746194834 URAPAAHBLSNNCK-UHFFFAOYSA-N 250.342 1.612 0 50 CDAA O[C@H]1CCN([C@H]2CCC[C@H]2NCCOc2ccccc2)C1 643963193 OUNWESVQFAJUBV-UAGQMJEPSA-N 290.407 1.643 0 50 CDAA Cc1nnc(COC2CN(C(=O)C[C@@H]3C=CCC3)C2)o1 644207019 CKOKJPGGCFJIQH-LLVKDONJSA-N 277.324 1.462 0 50 CDAA Cc1cc(C(=O)NCCN=S2(=O)CCCC2)ns1 585131109 LYNMADRXDNNLMW-UHFFFAOYSA-N 287.410 1.443 0 50 CDAA C[C@@H](C(=O)C1CC1)n1cc(COc2ncccn2)nn1 585138859 BNAAGBPZYSLSEV-VIFPVBQESA-N 273.296 1.187 0 50 CDAA Cc1ccc(/C=C/C(=O)NC(C)(C)c2cn(C)nn2)o1 585125088 GABMEJYHALENHF-BQYQJAHWSA-N 274.324 1.781 0 50 CDAA CNc1ncnc2c1cnn2CC1(O)CCC(C)CC1 193758838 JBWDWCJKJXYCGR-UHFFFAOYSA-N 275.356 1.809 0 50 CDAA CCCC(C)(C)NC(=O)[C@H](N)Cc1cncs1 719082965 LYLFZUHVWOQBJD-SNVBAGLBSA-N 255.387 1.708 0 50 CDAA CCC1(CNC(=O)/C=C/C(=O)NC2CC2)CCC1 1615552481 VMVNUVIWQCYSLY-VOTSOKGWSA-N 250.342 1.518 0 50 CDAA Cc1cc(C)n(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 315963 UEZOICZTUUDXEJ-LLVKDONJSA-N 297.314 1.825 0 50 CDAA CCOc1c(CN(C)c2n[nH]c(=N)s2)cccc1OC 1857675147 LZEBBHQBZGTFDX-UHFFFAOYSA-N 294.380 1.994 0 50 CDAA CN(CCN(C)C1CCCC1)Cc1cnc(N(C)C)nc1 1506421270 IFQOSEPMERRXFD-UHFFFAOYSA-N 291.443 1.849 0 50 CDAA CCc1nn(C)c(NC(=O)Cc2cc(C)no2)c1C 1506405851 LVXFNNSCFJOUNF-UHFFFAOYSA-N 262.313 1.769 0 50 CDAA O=C(c1cn[nH]c1C1CCCCC1)N1CC[C@@H]2CNC[C@@H]21 213313176 PSNMEYXYOQFZOP-OCCSQVGLSA-N 288.395 1.891 0 50 CDAA NC(=O)CN1CCC[C@H](Oc2ccccc2Cl)C1 133151514 UBLJABIVDUZWFC-JTQLQIEISA-N 268.744 1.669 0 50 CDAA O=C(O)[C@H]1CN(CCCCc2ccccc2)CC[C@@H]1O 1704306284 UAGXOZFVPFNDMH-GJZGRUSLSA-N 277.364 1.777 0 50 CDAA O=C(O)[C@@H]1CCCN1Cc1ccc(Br)cn1 158560551 BJERVYQRJJJDLB-JTQLQIEISA-N 285.141 1.893 0 50 CDAA O=c1c(Br)ccnn1Cc1ccncc1 1565505372 RTLHOBZXGWQESA-UHFFFAOYSA-N 266.098 1.449 0 50 CDAA C[C@@]12C[C@H]1CN(S(=O)(=O)c1cnc3ccccn13)C2 1772813019 SZAUKTWTSPGKRS-GWCFXTLKSA-N 277.349 1.365 0 50 CDAA COCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 5059560 DLVKINRBBOYANV-UHFFFAOYSA-N 264.325 1.511 0 50 CDAA C[C@@H]1CS(=O)(=O)C[C@H]1OC(=O)CCc1ccccc1 5355724 WOWYOBYANBNSDC-DGCLKSJQSA-N 282.361 1.596 0 50 CDAA CCOc1cccc(C(=O)NCCN2CCOCC2)c1 13744404 LDKIBZGMKJTDLI-UHFFFAOYSA-N 278.352 1.147 0 50 CDAA CCN1CCN(CCC(=O)Nc2cccc(OC)c2)CC1 19359354 QOMKLXICBPQQKA-UHFFFAOYSA-N 291.395 1.661 0 50 CDAA CC(C)(CO)COB(O)c1ccc(Br)cc1 169747010 UBOPYMOREBYDJC-UHFFFAOYSA-N 286.962 1.172 0 50 CDAA C[C@H](CC(=O)NCc1nc2ncccc2o1)n1cccn1 1857672466 DUQQEYRRSBTMEI-SNVBAGLBSA-N 285.307 1.687 0 50 CDAA O=C(NC[C@@H]1CC1(F)F)c1cnnn1-c1ccccc1 1857687552 YJNWVAGDSGGBEC-VIFPVBQESA-N 278.262 1.652 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@H]1CCOC1)c1cccs1 237963941 FZSNJYKWCRTODF-IUCAKERBSA-N 269.322 1.417 0 50 CDAA COc1cc(CN[C@H]2CCCOC2)cc2c1OCCO2 109545846 HCMTVWRWKIUSGZ-LBPRGKRZSA-N 279.336 1.735 0 50 CDAA CN(CC1(N(C)C)CCC1)C(=O)N[C@H]1CCC[C@H]1CCO 225472233 OJVNVVPSHDWSBP-KBPBESRZSA-N 297.443 1.663 0 50 CDAA CN(C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cn1 123382385 ZKUCNLUXHMZUQX-JTQLQIEISA-N 280.303 1.305 0 50 CDAA Cc1c(CNC(=O)[C@@H]2CNCCOC2)oc2ccccc12 643702038 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CC(C)(C)CN(CC(=O)O)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 659782120 WZBLQZNTFMUJLJ-OUAUKWLOSA-N 269.341 1.513 0 50 CDAA O=C([C@H]1CC12CCOCC2)N(C[C@H]1CCCN1)C1CC1 328642970 RFZSCIZYMBAYQF-TZMCWYRMSA-N 278.396 1.546 0 50 CDAA NC[C@@H]1CC[C@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 423732949 AYTYWDXUHVDVOL-KCJUWKMLSA-N 287.285 1.958 0 50 CDAA O=C(N[C@H]1C[C@H](C(=O)O)C1)c1cccc2cccnc12 426411251 GLXJDYPBUCRAFI-XYPYZODXSA-N 270.288 1.828 0 50 CDAA CCc1noc(C)c1C(=O)N(C)CC1(CO)CC1 331862649 IWLMPCYVKAZVBN-UHFFFAOYSA-N 252.314 1.390 0 50 CDAA CCc1cnc(N2CCC3(CC2)C[C@H](O)CO3)nc1 95361752 LFAUQHQRXRVUIY-LBPRGKRZSA-N 263.341 1.159 0 50 CDAA O=C(C1CCC1)N1CCN(CC[C@@H]2CCOC2)CC1 670440518 TVRBVLQLAKPUAI-CYBMUJFWSA-N 266.385 1.357 0 50 CDAA Cc1cscc1C(=O)N[C@H]1CC12CCNCC2 368384079 HPJVGEIHCRMWDO-NSHDSACASA-N 250.367 1.928 0 50 CDAA O=C(O)C[C@@H](NC(=O)c1ccncc1Cl)C(F)(F)F 698719282 AWKIHUPOHYNVFE-SSDOTTSWSA-N 296.632 1.870 0 50 CDAA Cc1cccc([C@H](O)CNCc2nnc(C)s2)c1 825212551 GEBGEHFVHVIPPT-GFCCVEGCSA-N 263.366 1.978 0 50 CDAA CN(C)c1nc(N)nc(COc2ccccc2F)n1 1424513 QFVGQGKSEWNUBV-UHFFFAOYSA-N 263.276 1.238 0 50 CDAA Cc1ccc(NS(=O)(=O)c2cnc3cccnn23)cc1 1857800536 CNICMDVZHCXRQZ-UHFFFAOYSA-N 288.332 1.839 0 50 CDAA COC(=O)[C@@H](C)Sc1cnc(OC)c(OC)n1 2069806586 KNKJGEYBMFWCGK-ZCFIWIBFSA-N 258.299 1.147 0 50 CDAA CCOC(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 643919651 XREOCXKKODGSIK-LBPRGKRZSA-N 291.282 1.865 0 50 CDAA COCC1(NS(=O)(=O)c2cn(C(C)C)nc2C)CC1 2325775892 YORTVSPAHDRJQC-UHFFFAOYSA-N 287.385 1.230 0 50 CDAA O=C(NC[C@@H]1CCSC1)c1cncc(-n2cccn2)n1 2325784775 ITBAWOWDINBMDY-JTQLQIEISA-N 289.364 1.145 0 50 CDAA CC(C)C[C@@H](C(=O)NCc1nc(=N)[nH][nH]1)c1ccccc1 2325801080 VIZDQEVMABUROI-GFCCVEGCSA-N 287.367 1.663 0 50 CDAA CC1=C(C(=O)N2CC(c3nn[nH]n3)C2)Cc2ccccc2O1 2325802275 WDYPLMDTXYJJIJ-UHFFFAOYSA-N 297.318 1.035 0 50 CDAA O[C@]1(c2ccc(Cl)cc2)CSC2=NCCN21 210941 IJUFXEJBZWRNOC-NSHDSACASA-N 254.742 1.904 0 50 CDAA N[C@@H](CCC(=O)Nc1cccc2ccccc12)C(=O)O 393777 QOGFVABMAJFJDJ-LBPRGKRZSA-N 272.304 1.970 0 50 CDAA biogenic,in-vitro CCOC(=O)CNC(=S)NCc1ccc(Cl)cc1 2852354 USDQKYZBBQDFJK-UHFFFAOYSA-N 286.784 1.867 0 50 CDAA CS(=O)(=O)c1ccc(N2[C@H]3CCC[C@@H]2C[C@H](O)C3)nc1 2356167550 SAWSWNIFZHWSTR-GDNZZTSVSA-N 296.392 1.367 0 50 CDAA CCCCS(=O)(=O)C[C@@H](O)COc1ccccc1 3682083 HQPPUDGUSSQEEK-LBPRGKRZSA-N 272.366 1.641 0 50 CDAA CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 6731270 WWQZXHCQVUBDPY-LBPRGKRZSA-N 298.364 1.054 0 50 CDAA C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc(C(C)(C)C)on1 135696923 PHCILBVEJUMSNB-HOGDKLEQSA-N 286.397 1.811 0 50 CDAA Cc1ccc(F)cc1-n1c(COC(C)C)n[nH]c1=O 65387286 TYUIAEGPXXOJQZ-UHFFFAOYSA-N 265.288 1.933 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(OC)c1F 344686941 JGRJPWKPCMECDD-WDEREUQCSA-N 297.326 1.710 0 50 CDAA COCC(=O)N1CCCN(CC[C@H](C)SC)CC1 67894625 UMBHKMVPZIPONN-LBPRGKRZSA-N 274.430 1.309 0 50 CDAA Cc1cc(NC(=O)c2nn(C)cc2Br)no1 1019094 MCXJHYOLVTWUDC-UHFFFAOYSA-N 285.101 1.731 0 50 CDAA CCOC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)OCC)C1 229696546 CDJNKIKQBKSSDG-WDEREUQCSA-N 272.345 1.149 0 50 CDAA CN(C)C[C@@H]1CCN(C(=O)NCc2cccc(CO)c2)C1 187804929 GPZCMDGSYPLDFT-HNNXBMFYSA-N 291.395 1.272 0 50 CDAA Cn1nnnc1CN1CC[C@@]2(CCc3ccccc3O2)C1 377642420 BEBPXLJDYLHGTN-HNNXBMFYSA-N 285.351 1.180 0 50 CDAA O=C(NCc1cnc[nH]1)C1(c2cccc(F)c2)CC1 359142652 ZMMINYNOJRSRTE-UHFFFAOYSA-N 259.284 1.897 0 50 CDAA CNC(=O)C[C@@H](NC(=O)c1cnc(C)[nH]1)c1ccccc1 435943979 REESUWIJZWETKM-GFCCVEGCSA-N 286.335 1.325 0 50 CDAA Cc1ccc(CN(C)C(=O)[C@@H]2CCNC(=O)C2)s1 154274927 LUMIXQGWHHIAFX-SNVBAGLBSA-N 266.366 1.541 0 50 CDAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NC(C)(C)C(N)=O)o1 360973958 WNVIDHPXNAOTNE-LMLFDSFASA-N 290.363 1.887 0 50 CDAA C[C@@H](N[C@H]1CCC(=O)NC12CCC2)C1CCOCC1 374809280 PGLLPFXQRVZCFH-YPMHNXCESA-N 266.385 1.592 0 50 CDAA O=C(c1cccc(-n2cnnn2)c1)N1CCC(F)(F)C1 331861783 XBPLIJCEORWAJU-UHFFFAOYSA-N 279.250 1.144 0 50 CDAA NC(=O)c1cc2c(nc1-c1cc(N)nc3[nH]ccc13)CCC2 72172752 UPQGTJJIRZVTHN-UHFFFAOYSA-N 293.330 1.795 0 50 CDAA C[C@@H](C(=O)Nc1ccccc1-n1cccn1)n1cncn1 171921805 WBASMOMHPPTMKL-NSHDSACASA-N 282.307 1.664 0 50 CDAA CC(C)N1CC[C@H](NC2CC(c3ccccn3)C2)C1=O 368575164 IMJUXONUOPTEPV-PIMMBPRGSA-N 273.380 1.927 0 50 CDAA CC(C)c1nccc(-c2nccn2CCS(C)(=O)=O)n1 72477261 PFXATUHSKRKBDR-UHFFFAOYSA-N 294.380 1.508 0 50 CDAA O=C(c1cc2sccc2[nH]1)N1CC[C@H](CO)[C@H](O)C1 72152680 WZDQEUSMJGAIBL-LDYMZIIASA-N 280.349 1.045 0 50 CDAA CNC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1C 237282644 RODZIZZPTGJXJC-GFCCVEGCSA-N 298.408 1.376 0 50 CDAA CC(C)(C)c1n[nH]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 333742260 LREUPIICYKJWHH-BBBLOLIVSA-N 278.356 1.286 0 50 CDAA O=S(=O)(NCc1ccno1)c1ccc(F)cc1Cl 336511968 CXYNVOGKPNCAMR-UHFFFAOYSA-N 290.703 1.946 0 50 CDAA Cc1c[nH]nc1CN1C[C@@H](C)NC(=O)c2ccccc21 378128298 NUHRSGKGUILFLD-LLVKDONJSA-N 270.336 1.857 0 50 CDAA CCC[C@H](N)C(=O)N1CCOC[C@H]1c1ccccc1 376789928 PIGFLTSUJGSXSV-KBPBESRZSA-N 262.353 1.714 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2c[nH]cn2)c1 282164464 LVDMULYDWJDNIS-ZFWWWQNUSA-N 273.336 1.726 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2cnn(C)c2C)C1 284534765 KEYKZXWSBIKCQI-OLZOCXBDSA-N 290.371 1.117 0 50 CDAA CN1C(=O)N[C@@H]2CN(c3nc4ccccc4n3C)CC[C@@H]21 284623181 SAOGVWHKJBCZIN-YPMHNXCESA-N 285.351 1.176 0 50 CDAA Cc1nc(NC(=O)N2CCN(C(C)C)[C@@H](C)C2)nn1C 48422465 CGZOWIPNAKZAGW-JTQLQIEISA-N 280.376 1.070 0 50 CDAA COc1cc(CC[C@H]2COc3ccccc3O2)nc(N)n1 223497705 IFHAABFWMAGNSE-NSHDSACASA-N 287.319 1.840 0 50 CDAA COCCN1C[C@H](Cc2cc(F)c(F)cc2O)CC1=O 220579542 KBVURIZJRWUKOM-SECBINFHSA-N 285.290 1.708 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(C(=O)O)s1 263571902 KBTUTSLAPPDKTM-IUCAKERBSA-N 299.348 1.322 0 50 CDAA CC(C)[C@@H](CO)NC(=O)c1n[nH]c2c1CCCCC2 190949498 GLHFAETZEBASSI-GFCCVEGCSA-N 265.357 1.425 0 50 CDAA COC(=O)N1[C@H](CO)CS[C@@H]1c1ccccc1 44123117 ADNWYJDDAXIYJU-GHMZBOCLSA-N 253.323 1.861 0 50 CDAA CCNC(=O)NC[C@@H](c1ccco1)N(CC)CC 194846170 KLEDTKZJBQDFIL-NSHDSACASA-N 253.346 1.982 0 50 CDAA CSc1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1 221303412 WHBKNCOSKNJWGW-SNVBAGLBSA-N 276.365 1.819 0 50 CDAA Cc1nc([C@@H]2CCOC2)cc(N(C)CCCN(C)C)n1 426574910 LYSFRDFDOWJENZ-CYBMUJFWSA-N 278.400 1.677 0 50 CDAA NC[C@H]1CCCN1C(=O)COc1cccc(F)c1 178274581 TVZPMGZQUIGFAI-LLVKDONJSA-N 252.289 1.154 0 50 CDAA COCC1(CNC(=O)c2cc(O)cc(O)n2)CCC1 614478378 LSNNERXUWVYQDH-UHFFFAOYSA-N 266.297 1.039 0 50 CDAA COC[C@H](NC(=O)C1Cc2ccccc2C1)c1ccnn1C 426574963 DVOSWOVKVPJCJB-HNNXBMFYSA-N 299.374 1.639 0 50 CDAA O=C(NCCn1ccnc1)c1c[nH]nc1-c1cccc(F)c1 91486573 OBBNPLNEVHPUTR-UHFFFAOYSA-N 299.309 1.842 0 50 CDAA CCn1cnnc1[C@H](C)NC(=O)N(C)C1CCOCC1 426531080 XORJVZCCRRGAQD-JTQLQIEISA-N 281.360 1.179 0 50 CDAA CSCCCNC(=O)c1cn2ccsc2n1 91690113 KCMYTPIAGIDJHC-UHFFFAOYSA-N 255.368 1.879 0 50 CDAA O=C(C[C@@H]1CCNC1)NCCCc1ccccc1F 97698611 LTPDOIVIXWORLD-LBPRGKRZSA-N 264.344 1.874 0 50 CDAA CN(C)CCN(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 95355728 WYTNLGVCCDECRT-UHFFFAOYSA-N 272.352 1.710 0 50 CDAA COC(=O)[C@@H](Br)C(=O)c1cccnc1 140670747 SDIXOISTCZJPHP-ZETCQYMHSA-N 258.071 1.201 0 50 CDAA CN1CCCCC[C@@H]1C(=O)NCCc1ccncc1 91656262 IXQHOVDDDAXCKP-CQSZACIVSA-N 261.369 1.615 0 50 CDAA CCC1=NO[C@@H](CNC(=O)c2c[nH]c(=O)c3ccccc23)C1 97784997 KEPRLWKSRMJQOT-LLVKDONJSA-N 299.330 1.813 0 50 CDAA O=C(O)[C@H](Cc1ccco1)n1cc(-c2nccs2)nn1 95359735 FDAIICHRIWLFAP-JTQLQIEISA-N 290.304 1.863 0 50 CDAA CC(C)N1CCC(CC(=O)N[C@@H](C)c2ncnn2C)CC1 95516411 BAXRFTCWANHGGP-LBPRGKRZSA-N 293.415 1.503 0 50 CDAA O=C(NC[C@H](CO)Cc1cccs1)Nc1cnns1 96166884 HDVVVGMRXBFCMR-MRVPVSSYSA-N 298.393 1.572 0 50 CDAA CN1C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C[C@H]1C(=O)O 244594092 DGGUSLOGBYDNMX-RYUDHWBXSA-N 296.754 1.156 0 50 CDAA Cc1ncc(C(=O)NCC[C@H]2CCCOC2)c(C)n1 529601999 WDCTUNCAWBGJRS-GFCCVEGCSA-N 263.341 1.640 0 50 CDAA COCCN(C)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 623185907 XFZZWMDYYODFCG-ONGXEEELSA-N 251.330 1.180 0 50 CDAA Cc1ccccc1C1(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 299750730 OEZPPEXXOIVQFS-UKRRQHHQSA-N 298.386 1.764 0 50 CDAA CSCCCN1CCC([C@@H](O)C(=O)NC2CC2)CC1 299743708 OXWAFNRAGORNKY-CYBMUJFWSA-N 286.441 1.091 0 50 CDAA CNC[C@@H]1CCCN1C(=O)COc1cccc(F)c1 299739932 TVGKOUKDBKYPDF-LBPRGKRZSA-N 266.316 1.415 0 50 CDAA O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H]1Cn1ccnn1 299745598 RIBALZZEPBGROO-NSHDSACASA-N 286.339 1.183 0 50 CDAA CCO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCCC2)n1 534669363 DZHOIWKCNPEVKO-RYUDHWBXSA-N 296.346 1.432 0 50 CDAA CC[C@H](NC(=O)c1cc(OC)ccn1)c1ncnn1C 534659718 PIFASWNOPXNYNK-JTQLQIEISA-N 275.312 1.100 0 50 CDAA O=C(NC[C@@]1(O)CCCCNC1)OCc1ccccc1 261508384 RVYVRFJILMLBKA-OAHLLOKOSA-N 278.352 1.417 0 50 CDAA Cc1cc(C(=O)Nc2nccc(C(F)(F)F)n2)nn1C 1940198198 UINDKXHOFMKWEJ-UHFFFAOYSA-N 285.229 1.790 0 50 CDAA C[C@@H](NC(=O)CCc1ccc(=O)[nH]n1)C1=CCCCC1 299799489 RZUFOLPRGYNBCX-LLVKDONJSA-N 275.352 1.708 0 50 CDAA Cn1cnnc1CCC(=O)NCc1cc(C(C)(C)C)n[nH]1 299779114 UDFSWJMYXDNHJU-UHFFFAOYSA-N 290.371 1.085 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@H](C)c2nnc(C(C)C)o2)n1 299795535 OPSKUROEVHBKIC-SECBINFHSA-N 292.343 1.158 0 50 CDAA CC(C)N1CC[C@H](CN(C)Cc2ccnn2C)C1 823715040 JTDXGNYLJUBPNF-CYBMUJFWSA-N 250.390 1.582 0 50 CDAA CN(C)CC1(CO)CCN(C2CCCCC2)CC1 828690347 WQELDSZZZLMXMC-UHFFFAOYSA-N 254.418 1.955 0 50 CDAA Cc1cccc2nc(CNC(=O)NC3CCNCC3)[nH]c12 828015621 YPBBBXDHURZNSH-UHFFFAOYSA-N 287.367 1.423 0 50 CDAA CC(C)C[C@H](C(=O)O)N1CCC[C@@H](c2cc[nH]c(=N)n2)C1 629488747 WHQOGSVSGUPGHB-DGCLKSJQSA-N 292.383 1.568 0 50 CDAA CN1CCN(C(=O)CCC2(C)CC2)C[C@H]1CCO 584893527 IOCQCUIOKBCIRC-GFCCVEGCSA-N 254.374 1.092 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2ccccc2-n2cncn2)n[nH]1 670464633 LBWAFQHKCYITAK-VIFPVBQESA-N 297.322 1.185 0 50 CDAA Cc1cc(CN[C@@H](C)CNS(=O)(=O)C2CC2)cnc1C 584885403 LPNQQBSVRQRICK-NSHDSACASA-N 297.424 1.258 0 50 CDAA C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC[C@H]1C(N)=O 242167662 WYMKZSHLTVPKQF-UPJWGTAASA-N 281.400 1.021 0 50 CDAA COCC(=O)N1CCC(CNC(=O)CC2CCCC2)CC1 952972440 CROOVIMNASJVMB-UHFFFAOYSA-N 296.411 1.568 0 50 CDAA CCOC(=O)C1=C(N)CCN(C(=O)OC(C)(C)C)C1 72233007 GJAQACJJJRXXED-UHFFFAOYSA-N 270.329 1.403 0 50 CDAA in-vitro O=C(NS(=O)(=O)CC(F)(F)F)[C@@H]1[C@H]2CCCC[C@H]21 408485761 IGAYLDMPBSXTRQ-JIGDXULJSA-N 285.287 1.431 0 50 CDAA O=C(Cc1csc(-c2ccccn2)n1)NN1CCCC1 408516030 DZFWHFOFBZLZFE-UHFFFAOYSA-N 288.376 1.875 0 50 CDAA CCc1oc2ccccc2c1CN1C[C@H](N)[C@@H](O)C1 1565514811 BCZWLKWBBPTEBO-STQMWFEESA-N 260.337 1.499 0 50 CDAA c1ccc(-c2cc(CN3CC[C@@H]4CNC[C@@H]43)on2)nc1 1565507963 DRLYDDZYGSNMLW-ABAIWWIYSA-N 270.336 1.530 0 50 CDAA CC(C)(C)OC(=O)NCC1(CC(=O)O)CCOCC1 211918365 UEQOHXVTXRCTJV-UHFFFAOYSA-N 273.329 1.783 0 50 CDAA C[C@H](CC(=O)O)NC(=O)c1ccc2ccn(C)c2c1 630132381 MNMQJJUUWVRXCJ-SECBINFHSA-N 260.293 1.771 0 50 CDAA O=C1CCCc2cc(O[C@H]3CCNC3=O)ccc2N1 270646769 ZRUICPDKHAMUDQ-LBPRGKRZSA-N 260.293 1.229 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCc1ccoc1 275512106 WXUHPAAAOPLRPB-RYUDHWBXSA-N 290.323 1.343 0 50 CDAA CC(=O)NC1CN(c2cc(C)nc(-c3cccnc3)n2)C1 276073873 KFPUCOBCSOHUBO-UHFFFAOYSA-N 283.335 1.172 0 50 CDAA CCNC(=O)C(=O)Nc1cccc2c(O)cccc12 170346701 DEQRQMQCUSNDTJ-UHFFFAOYSA-N 258.277 1.620 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](CNCc2ncc[nH]2)C1 170594209 OPEAEMRFDVHYII-LLVKDONJSA-N 280.372 1.756 0 50 CDAA CCO[C@@H]1C[C@](CO)(NC(=O)c2ccccc2)C1(C)C 170603399 IFTOMFJGMIZEPK-CZUORRHYSA-N 277.364 1.983 0 50 CDAA COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cnccn1 189474347 RXCHWVOUYPDDQP-CQSZACIVSA-N 285.347 1.806 0 50 CDAA Cc1nccc(N2CCN(CC[C@H]3CCCO3)CC2)n1 189974824 WFTSXJITNSORLM-CQSZACIVSA-N 276.384 1.476 0 50 CDAA CCS[C@H]1CCCCN(C(=O)C2(n3cnnn3)CC2)C1 585102489 HZVZTOHXAHLTBL-NSHDSACASA-N 295.412 1.296 0 50 CDAA Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)C)n(C)n1 195481529 SIUKVVBIIXZJTL-AWEZNQCLSA-N 272.352 1.970 0 50 CDAA CO[C@@H]1CN(C(=O)N(C)C2CCCC2)C[C@H]1c1cnn[nH]1 657145121 CPXVQPQIJYDUSD-WCQYABFASA-N 293.371 1.213 0 50 CDAA CCC1(C(=O)Nc2cc(O)cc(OC)c2)COC1 781025111 QVVPNODQTZVBDM-UHFFFAOYSA-N 251.282 1.766 0 50 CDAA N[C@H]1CC12CC(NC(=O)c1cc(F)c3ncccc3c1)C2 1614619460 BCCSXAFSLMNBHE-ULKWEWGCSA-N 285.322 1.984 0 50 CDAA c1cnc([C@H]2CCN(c3ccc4nccnc4n3)C2)cn1 1640453346 UCKKMLWJAJTDRI-NSHDSACASA-N 278.319 1.809 0 50 CDAA Cn1ncc(Cl)c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615001093 LIZKMAOYWROODH-VXGBXAGGSA-N 290.754 1.428 0 50 CDAA Cc1cc(CN2[C@H](C)CC[C@H](C(=O)O)[C@H]2C)nn1C 1616044014 FFAMNNMFARHIAG-XWIASGKRSA-N 265.357 1.802 0 50 CDAA CCC(CC)CC(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772709219 JGDYCOQTYCSONW-DOMZBBRYSA-N 283.368 1.762 0 50 CDAA NC(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 757468 BTJBAKJVJRLSPU-SNVBAGLBSA-N 254.280 1.662 0 50 CDAA CN1C(=O)C[C@H](C(=O)Nc2nccn2C)c2ccccc21 1506395944 PQWIVLQVUGOAQN-NSHDSACASA-N 284.319 1.509 0 50 CDAA CCC[C@H]1CN(CCCn2nnnc2C)C[C@@H]1N(C)C 216915474 LJUGNFBIAAJZGT-KBPBESRZSA-N 280.420 1.034 0 50 CDAA CCOC(=O)C(=CNc1ccccc1O)C(=O)OCC 1780083 LDJLKUNFPLOJLG-UHFFFAOYSA-N 279.292 1.814 0 50 CDAA NS(=O)(=O)CCc1ccccc1Br 230819168 JAWVVMFAOOKVSV-UHFFFAOYSA-N 264.144 1.280 0 50 CDAA in-vitro O=C(O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 12997569 PQRRNWXQURZXGP-SSDOTTSWSA-N 284.109 1.887 0 50 CDAA in-vitro NC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CCCC1 1704352361 DWHSGJGNMJQYGO-ZIAGYGMSSA-N 289.379 1.027 0 50 CDAA C[C@H](Cc1ccccc1F)NC(=O)C1(C(=O)O)CC1 154818218 RAEFXFMXYZDOQR-SECBINFHSA-N 265.284 1.738 0 50 CDAA C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc[nH]1)C1CC1 265028081 XDCWNQFKRXNHLM-VIFPVBQESA-N 270.354 1.052 0 50 CDAA CC(=O)c1cccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 4339181 SWFDPZCJYXUATF-LLVKDONJSA-N 295.360 1.653 0 50 CDAA Cc1ccc(C(=O)NCc2cccc(CO)c2)c(=O)[nH]1 134382905 SQHXYXAKZUCWJS-UHFFFAOYSA-N 272.304 1.106 0 50 CDAA C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NNC(N)=S 5721885 VLAWOGAPRNWEDO-CKYFFXLPSA-N 283.441 1.910 0 50 CDAA CSCCNC(=O)[C@H]1CCN(c2ccccc2)C1=O 11878634 IDAJLQMALACGLR-GFCCVEGCSA-N 278.377 1.519 0 50 CDAA O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)C2CC2)CC1 13689995 ZZTUXZQHASTXJN-UHFFFAOYSA-N 297.358 1.862 0 50 CDAA COCCCNS(=O)(=O)c1cc(OC)c(C)cc1C 16624575 IYEVLAHLVFRFDI-UHFFFAOYSA-N 287.381 1.627 0 50 CDAA CSc1nc(NN)c2c3c(sc2n1)CN(C)CC3 19758805 WMZDCKGWWRMNOV-UHFFFAOYSA-N 281.410 1.687 0 50 CDAA Cc1ccc2[nH]c(C)c(CN3CCOCC3)c(=O)c2c1 19791630 VELHKDUXOSBUJJ-UHFFFAOYSA-N 272.348 1.977 0 50 CDAA O=C(NOCc1cccnc1)[C@H]1CSCCS1 153280171 NFGIULAKGDYLHT-SNVBAGLBSA-N 270.379 1.478 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CC1(CN)CC1 566912838 LXHKLMXLUCCWCD-GFCCVEGCSA-N 276.384 1.819 0 50 CDAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cnn1C 221022099 KXUGKISZVKBVKM-DRZSPHRISA-N 291.351 1.586 0 50 CDAA Cc1ccc([C@H]2CCN(C(=O)Cc3nc[nH]n3)C2)c(C)c1 632813454 BDMIDDAJUQZWPL-ZDUSSCGKSA-N 284.363 1.980 0 50 CDAA Cc1c(F)cccc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 643370320 IWFFWIXKXNBWRY-SUHUHFCYSA-N 290.338 1.860 0 50 CDAA CC(C)(CC(=O)Nc1cccc(Cl)c1C(N)=O)C(=O)O 236798674 JKSNQDYDHFVXDA-UHFFFAOYSA-N 298.726 1.878 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1cccc2c1OCO2 237144782 AXXSPBPQBQBEHO-JTQLQIEISA-N 262.309 1.239 0 50 CDAA Cc1cccc2c(N3CCO[C@H]4CCN(C)C[C@H]43)ncnc12 242263388 XYPKNWLFYIBACQ-CABCVRRESA-N 298.390 1.848 0 50 CDAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 659160075 RMXPMZJWEMAUHM-CABZTGNLSA-N 291.351 1.709 0 50 CDAA CCc1cccnc1-c1noc([C@]2(C)CCCNC2=O)n1 350073606 WYVJDXDDIYOTAQ-OAHLLOKOSA-N 286.335 1.862 0 50 CDAA O=C(NCC(F)F)[C@@H]1CCCCN1Cc1ncccc1O 564775800 UODJMBITONBEGU-NSHDSACASA-N 299.321 1.523 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1C[C@H](C)N[C@@H](C)C1 153409162 ZAXDHRLYMWGAOW-RYUDHWBXSA-N 276.384 1.724 0 50 CDAA O=C(C1CCNCC1)N1CCO[C@@H](c2ccccc2F)C1 157965107 IFBARUGTJKZGNX-OAHLLOKOSA-N 292.354 1.725 0 50 CDAA Cc1ccc(F)cc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704313939 TWWVQQZDIARMLF-JSGCOSHPSA-N 292.354 1.537 0 50 CDAA NS(=O)(=O)C[C@@H]1CCCCN1Cc1ncc(C2CC2)o1 931228724 DTUKPRWALBMNIN-NSHDSACASA-N 299.396 1.195 0 50 CDAA O=C(NCCc1nc(Br)n[nH]1)c1ccccc1 1857787745 ZJDAVURAWLPOOE-UHFFFAOYSA-N 295.140 1.540 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CC(N2CCOCC2)C1 863947700 WRSZOXUGTKIUST-IHRRRGAJSA-N 278.396 1.356 0 50 CDAA CC[C@@H](Oc1ccccc1)C(=O)N1CCN(C)CC1 19759885 CFCHNWMKYXFJPW-CQSZACIVSA-N 262.353 1.618 0 50 CDAA Cn1cc([C@@H]2N(C(=O)C=C3CCNCC3)CC2(C)C)cn1 952894687 PMAFHFYFHOMXHR-HNNXBMFYSA-N 288.395 1.639 0 50 CDAA C[C@H](Cc1ccno1)NC[C@](C)(O)C(=O)OC(C)(C)C 952995710 WDPDXUXBWCUKNO-YGRLFVJLSA-N 284.356 1.288 0 50 CDAA C[C@@H]1C[C@H]1C(=O)N1CCOCCN1C(=O)OC(C)(C)C 1875274838 LRRRMJWLWZWHMK-GHMZBOCLSA-N 284.356 1.653 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3cn[nH]c3)n[nH]c21 1875293880 GNGQQWNACZMUHK-BDAKNGLRSA-N 289.339 1.128 0 50 CDAA O=C(NN1CCOC1=O)c1nc(C2CC2)n2ccccc12 1875268675 SXBLKECMRMIOIU-UHFFFAOYSA-N 286.291 1.309 0 50 CDAA CCNC(=O)N1CCC2(CC1)OC(=O)NC2(C)C 1875298140 PHHXCWTXXFYWHJ-UHFFFAOYSA-N 255.318 1.069 0 50 CDAA C[C@H](Oc1ccc(OC[C@@H]2C[N@@]2CC2CC2)cc1)C(N)=O 1875381053 IQJMVRRWEXWHCG-RRUGBERISA-N 290.363 1.412 0 50 CDAA Cc1ccc(NC(=O)Cn2c(C)noc2=O)c(Cl)c1 1875391388 YMPGPJUIJICGQL-UHFFFAOYSA-N 281.699 1.745 0 50 CDAA O=C(NCc1ccco1)c1ncoc1[C@@H]1[C@H]2CN[C@H]1C2 1875393144 HRSDCMLTSNKNIG-DVVUODLYSA-N 273.292 1.273 0 50 CDAA C=CC(=O)N1C[C@@H]2CN(C)[C@H](c3ccccc3)[C@@H]2C1 888102171 KZDDFIXKIUXDSX-SQWLQELKSA-N 256.349 1.934 0 50 CDAA CCOC1CC(CCNC(=O)[C@H]2NCC23CCCC3)C1 1775441716 MEAARHYQJUYHEO-JXQTWKCFSA-N 280.412 1.840 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)nc(C)n1 1775988189 WLTKRESKEQTJRJ-LLVKDONJSA-N 285.351 1.238 0 50 CDAA C[C@@H](C(=O)NC(N)=O)N1CCC[C@H]1c1ccsc1 252517929 VHDAOFYZGHRVBA-WPRPVWTQSA-N 267.354 1.468 0 50 CDAA O=C([C@@H]1CCCCN1)N1CCO[C@@H](c2cccs2)C1 156185338 PTBAJBHEDRQJJO-NWDGAFQWSA-N 280.393 1.790 0 50 CDAA O=C(NC[C@@H]1CCCS1)c1ccn([C@H]2CCCNC2)n1 261618000 HGHCTBYITVDNRZ-RYUDHWBXSA-N 294.424 1.433 0 50 CDAA NC(=O)[C@@]1(O)CCCN(c2ccc3ccccc3n2)C1 284515218 FBZNDTSOWALZCW-OAHLLOKOSA-N 271.320 1.051 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCC(=O)NC1 345333157 VBAZOPUHOJFEIX-VOAKCMCISA-N 264.369 1.692 0 50 CDAA Cc1nn(C(C)C)cc1CN1CCS(=O)(=O)C[C@@H]1C 408258711 ABJMAPMZOOZDTI-NSHDSACASA-N 285.413 1.391 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)c1ccncc1F 328630611 QADUQPBGCLRVIY-JTQLQIEISA-N 274.299 1.410 0 50 CDAA CCn1cnnc1CN(C)Cc1ccc(OC)nc1 670465640 KGWXMUVCJLUQES-UHFFFAOYSA-N 261.329 1.334 0 50 CDAA OC[C@@H]1CNCCN1Cc1nc2ccccc2s1 685943311 LGLQREDSFGGEQH-JTQLQIEISA-N 263.366 1.062 0 50 CDAA Cc1cnc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)cn1 379285596 SMNGPFBTCRHFJI-PSASIEDQSA-N 288.273 1.279 0 50 CDAA O=C(c1csc2ccccc12)N1CC[C@@H](O)[C@@H](CO)C1 396930403 XCMQGODFFMWFNY-ZWNOBZJWSA-N 291.372 1.717 0 50 CDAA CCS(=O)(=O)CC(=O)c1ccc2c(c1)NC(=O)[C@H](C)O2 917972674 NWGKJZWXHZNWPJ-QMMMGPOBSA-N 297.332 1.023 0 50 CDAA COc1ccc([C@@H](C)NC(=O)CCO)cc1OC 929084989 RAYQNRZGMCQBMQ-SECBINFHSA-N 253.298 1.263 0 50 CDAA c1ccc(-c2nc(CN3C[C@@H]4CCN[C@@H]4C3)no2)cc1 534649549 NLGHEOMKRQFTSW-QWHCGFSZSA-N 270.336 1.530 0 50 CDAA O=C(Cc1cccc(F)c1)Nc1n[nH]c2c1CCNC2 2325793317 PWMCZSISGLVIMG-UHFFFAOYSA-N 274.299 1.376 0 50 CDAA O=C1N[C@@H](C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)CO1 871098955 ACBLXXFMDXCKJH-YUSALJHKSA-N 292.360 1.534 0 50 CDAA NCC[C@@H]1CN(C(=O)[C@H]2CC[C@H](N)C2)c2ccccc21 888097863 QWPDFWQCZSPPQA-XQQFMLRXSA-N 273.380 1.593 0 50 CDAA O=C(NC1CCC(C(=O)O)CC1)c1cnn2ccccc12 224800361 BLXIRZUDFKKZHZ-UHFFFAOYSA-N 287.319 1.708 0 50 CDAA COC1CCN(C(=O)[C@H](N)CCc2ccccc2)CC1 131621599 NTWIHYWSVFGFJO-OAHLLOKOSA-N 276.380 1.584 0 50 CDAA CN1C(=O)CN(C(=O)c2ccccc2)[C@@H]1C(C)(C)C 56727 QMSFVKQUCYMTLD-CQSZACIVSA-N 260.337 1.973 0 50 CDAA Cc1cc(OCC(=O)n2cnnc2N)cc(C)c1Cl 91087 YUDAXZQNFQJARN-UHFFFAOYSA-N 280.715 1.850 0 50 CDAA Cc1cc(NC(=O)CSC2=NCCS2)no1 376764 UTOLANISGXYKCW-UHFFFAOYSA-N 257.340 1.758 0 50 CDAA CCN(CC)c1ccc(C(=O)NCC(=O)OC)cc1 434323 IOIGIFGGJZJJIV-UHFFFAOYSA-N 264.325 1.436 0 50 CDAA CCOC(=O)C1=NN(C(C)=O)[C@@](O)(c2ccc(C)cc2)C1 825323 RXVCFOXJGIQQIY-HNNXBMFYSA-N 290.319 1.311 0 50 CDAA CCCOc1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1 4190436 NXGSJLQAOMKKBY-CYBMUJFWSA-N 276.336 1.940 0 50 CDAA CC(C)(C)NC(=O)C(=O)NCCC1=CCCCC1 4819514 NAFAQMINMRKSBF-UHFFFAOYSA-N 252.358 1.908 0 50 CDAA O=C(NC[C@H]1CCCO1)c1nc(-c2ccc(F)cc2)no1 6743178 NDUFKZXEUJKJPV-LLVKDONJSA-N 291.282 1.785 0 50 CDAA COc1ccc(N2C[C@@H](C(=O)NC3CC3)CC2=O)cc1 9236923 KPXIPCARBQLWNC-JTQLQIEISA-N 274.320 1.327 0 50 CDAA NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 9338432 RHYZSUXSWANDKQ-UHFFFAOYSA-N 276.317 1.586 0 50 CDAA CCN1CC[C@@H](CNC(=O)CCCn2ccnc2)C1 105320711 QYWFNFNDUWGLCR-ZDUSSCGKSA-N 264.373 1.121 0 50 CDAA NC[C@H]1CCN(C(=O)c2ccc(Cl)cc2O)C1 50246024 JCFBYPOFCXWISP-MRVPVSSYSA-N 254.717 1.466 0 50 CDAA O=C1[C@H]2[C@H](C(=O)N1c1cccc(F)c1)[C@H]1CC[C@H]2O1 101901167 NPACSOMNMYSVDQ-DDHJBXDOSA-N 261.252 1.493 0 50 CDAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 59739870 CIIKZYBQADSDIN-OLZOCXBDSA-N 296.411 1.566 0 50 CDAA N[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 237923799 WTKZIQOXZWZHKD-NSHDSACASA-N 272.270 1.808 0 50 CDAA COCCCN1CC[C@@H](CNC2CCSCC2)C1 65529411 UPWTZWOOIOSNAI-ZDUSSCGKSA-N 272.458 1.830 0 50 CDAA C[C@]1(CNC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)CCCO1 228248239 VLYROIYWIXRWNK-MISXGVKJSA-N 269.341 1.563 0 50 CDAA O=C(CSc1ccccc1)NCCCN1CCOCC1 20026436 YPZAKHVNWDYQMU-UHFFFAOYSA-N 294.420 1.617 0 50 CDAA CCCn1c(C)nnc1CN1C[C@H](OC)C[C@H]1COC 344367607 MQISZEQNNSVUMT-QWHCGFSZSA-N 282.388 1.232 0 50 CDAA CN(CC[C@H]1CN(C)CCN1C)Cc1ccccc1 20638187 YTMDVXWKDNFCLM-INIZCTEOSA-N 261.413 1.754 0 50 CDAA Cn1cc(NC(=O)c2cccc(-n3ccnc3)c2)cn1 117624768 VVIRWZCVCIJUOB-UHFFFAOYSA-N 267.292 1.858 0 50 CDAA Cc1cnc(N2CCN[C@H](c3ccc(O)cc3)C2)nc1 1363733915 BSAAYTVWHQKSHE-AWEZNQCLSA-N 270.336 1.642 0 50 CDAA CNC(=O)c1cccnc1NCCN1CCCCC1 301382349 UZPLYGUGBSTCTO-UHFFFAOYSA-N 262.357 1.339 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2N[C@H]2CCSC2)cn1 328630036 IZFOWHZPULYKSF-RWMBFGLXSA-N 267.398 1.735 0 50 CDAA CCCC1(C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1 408271940 UKUFSXRLSZUKGA-SNVBAGLBSA-N 259.371 1.260 0 50 CDAA CN1[C@H]2CC[C@@H]1CN(C(=O)Cn1cc3ccccc3n1)CC2 67851280 UAJIMPRVMZSODV-LSDHHAIUSA-N 298.390 1.731 0 50 CDAA CN1CCN(C(=O)c2ccco2)C[C@@H]1c1nccn1C 328625096 KKUSOAUNCCKLKW-LLVKDONJSA-N 274.324 1.142 0 50 CDAA CCc1ccc2occ(C(=O)N[C@H](C)CC(N)=O)c2c1 353227489 GZLUDOYASRJVRX-SECBINFHSA-N 274.320 1.989 0 50 CDAA CCOc1ccc(S(=O)(=O)NCCCO)cc1C 35102161 SECQVISQAVQVRB-UHFFFAOYSA-N 273.354 1.054 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)c1n[nH]c2c1CCC2 126788964 NBYIULSSHZNYRE-UHFFFAOYSA-N 274.324 1.775 0 50 CDAA CCC(=O)c1ccc(OCCN2CCN[C@@H](C)C2)cc1 33359729 DGTWDTJYFDFSEZ-ZDUSSCGKSA-N 276.380 1.952 0 50 CDAA CC(C)Cn1ccnc1NC(=O)c1cnn2ncccc12 354336657 YIRPFMMYYBRAEJ-UHFFFAOYSA-N 284.323 1.834 0 50 CDAA O=C(CN1CC[C@@H]1c1ccccc1F)NC[C@H]1CCCO1 252671885 ONGNJJHFUIXZSQ-IUODEOHRSA-N 292.354 1.868 0 50 CDAA O=C(Nc1ccccn1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 216255586 CDNKPIRXQQWJCC-FSZOTQKASA-N 258.277 1.543 0 50 CDAA CO[C@@H]1CCN(Cc2ccccc2OCC(=O)O)C1 215118926 DQBATTMMVYEEJI-GFCCVEGCSA-N 265.309 1.371 0 50 CDAA COC[C@H](C)NC(=O)c1ccc(-c2nnc(S)o2)cc1 122859719 SQHXQUIDRZTQHX-QMMMGPOBSA-N 293.348 1.790 0 50 CDAA COCc1nc(C)cc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1 230151470 QDOSKBCLXWRHKS-NWDGAFQWSA-N 290.367 1.179 0 50 CDAA C[C@@H](c1ccccn1)N(C)C(=O)NCCCn1ccnn1 183531200 WKXIIZDEHIQNDH-LBPRGKRZSA-N 288.355 1.466 0 50 CDAA CC(=O)NCCn1cnc2cc(C(F)(F)F)ccc2c1=O 32597811 IOBZWLRXODGAGI-UHFFFAOYSA-N 299.252 1.551 0 50 CDAA Nc1cc(C(=O)NC2CC2)ccc1Br 32108442 BAJRTARYUGKJOM-UHFFFAOYSA-N 255.115 1.924 0 50 CDAA Cc1cnc(CNC(=O)CSc2ccccn2)[nH]1 215787537 AJCUIJPVNCOVPN-UHFFFAOYSA-N 262.338 1.522 0 50 CDAA Cc1cnc(NC(=O)N2CC[S@@](=O)CC[C@H]2C)s1 336197980 PGSTVVZIKCWHNU-CVJBHZAOSA-N 287.410 1.826 0 50 CDAA CN(Cc1ccoc1)C(=O)[C@H]1CCc2nncn2C1 336418638 NDRFVVGDSJPWKM-NSHDSACASA-N 260.297 1.092 0 50 CDAA COC[C@@H]1[C@@H](NC(=O)CCc2ccncc2)[C@@H]2CCO[C@@H]21 219420591 OIQFJLXNDWRYEZ-XRGAULLZSA-N 290.363 1.180 0 50 CDAA Cc1[nH]ncc1CN(C)CC(C)(C)N1CCOCC1 215355464 JCIJRVAQACVGBP-UHFFFAOYSA-N 266.389 1.261 0 50 CDAA O=C(N[C@H]1CC[S@@](=O)C1)c1ccccc1OCC1CC1 332952260 ZDVHXWBTLTYIKF-FKIZINRSSA-N 293.388 1.726 0 50 CDAA C[C@@H](N)CC(=O)N1CCc2c(cnn2-c2ccccc2)C1 261867860 QILHLYHIUPMGPD-GFCCVEGCSA-N 284.363 1.494 0 50 CDAA C[C@H]1OCCN(C(=O)CCc2ccc(C(=O)O)cc2)[C@@H]1C 237599457 QBAPCNOEEGPXMG-VXGBXAGGSA-N 291.347 1.953 0 50 CDAA NC(=O)NCc1ccc(C(=O)N[C@H]2CC=CCC2)cc1 172396907 HZEUPTHGHIHWKM-ZDUSSCGKSA-N 273.336 1.693 0 50 CDAA CCCN(CC(=O)O)C(=O)c1ccnc(-n2cccn2)c1 262358508 HYRUKCXKMMTEBQ-UHFFFAOYSA-N 288.307 1.204 0 50 CDAA CCN1CN(C(=O)CCc2c[nH]c3ccccc23)CC1=O 241738525 QYGSBCXTKPTSKY-UHFFFAOYSA-N 285.347 1.749 0 50 CDAA CC(C)(O)CN1C(=O)O[C@@]2(CCc3ccccc32)C1=O 376668863 BIGHENARJWHWAW-OAHLLOKOSA-N 275.304 1.578 0 50 CDAA C[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccn(C)n1 335406544 FMJJOCDHYAAAHI-ZYHUDNBSSA-N 271.386 1.667 0 50 CDAA COC(=O)c1ncc(I)cc1C 238360278 MEAUPCKBWKHWJE-UHFFFAOYSA-N 277.061 1.781 0 50 CDAA Cn1nc(C(=O)NC[C@H]2CCCCO2)c2ccccc21 221390884 ABUAJNOXZLDSMV-LLVKDONJSA-N 273.336 1.872 0 50 CDAA Cc1nc(CCCNC(=O)[C@H]2CC[C@@H](N)C2)sc1C 72440607 FYRBXWWDJQLVLM-NWDGAFQWSA-N 281.425 1.936 0 50 CDAA Cc1nc2c(C(=O)N3CCC(CO)CC3)cccc2[nH]1 284280955 FLTKKYPEHAHOLP-UHFFFAOYSA-N 273.336 1.716 0 50 CDAA CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)C(C)C 136706162 MKGBKZVDIFCWFD-SECBINFHSA-N 273.329 1.668 0 50 CDAA O=C(c1n[nH]c2c1CCC2)N1CC(c2ccncc2)C1 426658320 JQYIOWUPUSURMK-UHFFFAOYSA-N 268.320 1.533 0 50 CDAA Cc1nn(C)cc1-c1ccc(S(=O)(=O)N(C)C)cc1 426653011 UCHLWIILYKIPFM-UHFFFAOYSA-N 279.365 1.646 0 50 CDAA Cc1ccc2c(c1)CN(C(=O)[C@H]1COCCO1)CCO2 288304682 IFQZMDHIQDWVAA-CQSZACIVSA-N 277.320 1.131 0 50 CDAA CC[C@@H](NC(=O)c1cc(=O)cc(C)o1)c1ccnn1C 220208248 LLMPFDDQRWJZOX-LLVKDONJSA-N 275.308 1.563 0 50 CDAA O=C(CSc1ccncc1)NC[C@H]1CCCCO1 140440711 ZGLXYOCTROQMEX-LLVKDONJSA-N 266.366 1.859 0 50 CDAA O=C(NC[C@H]1CCCOC1)c1cnc(-c2ccccn2)nc1 426535967 WHCJNACESXFXHM-GFCCVEGCSA-N 298.346 1.695 0 50 CDAA NC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc(F)c1F 237848922 SHVZXYCFTWUJHM-PSASIEDQSA-N 290.335 1.371 0 50 CDAA Cc1cc(C)n2nc(-c3nc([C@@H]4CCOC4)no3)cc2n1 96179890 BKQZRRUNKRKALP-SNVBAGLBSA-N 285.307 1.900 0 50 CDAA Cc1ccc2c(c1)c(-c1nc3c([nH]1)CCCNC3=O)nn2C 95505165 KYYAJTWAQDKZEO-UHFFFAOYSA-N 295.346 1.948 0 50 CDAA Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)O)[C@H](C(C)C)C1 91943742 GKSCPZUCBLOCJH-WDEREUQCSA-N 280.324 1.720 0 50 CDAA COCCN1CC[C@H](CNc2ncc(C)cn2)C1 95356324 UNPULOMBZJLOEA-GFCCVEGCSA-N 250.346 1.165 0 50 CDAA O=C(N[C@H]1CCSC1)c1cccc2nccnc12 97546540 MZSQIJJHNDHHSV-VIFPVBQESA-N 259.334 1.865 0 50 CDAA CC1(C)CNC(=O)c2nc(CC3(O)CCCC3)[nH]c2C1 95509471 ZTPNHYDIMFOZJW-UHFFFAOYSA-N 277.368 1.569 0 50 CDAA CNC[C@@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 179017712 QMQSZZOCLQXWSE-BBRMVZONSA-N 288.391 1.758 0 50 CDAA Cn1c(=O)cc(C(=O)NCCn2ccnc2)c2ccccc21 340049819 QNCMVEOCSATRQB-UHFFFAOYSA-N 296.330 1.165 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)s2)[C@@H]1CN 299739075 KGSYODOZTGVROB-RKDXNWHRSA-N 281.381 1.046 0 50 CDAA CCCn1ccnc1CNC(=O)Cn1nc2ccccc2n1 534630349 AVBVVJOWGNLMSY-UHFFFAOYSA-N 298.350 1.354 0 50 CDAA CC[C@@H](NC(=O)CCCn1cnnn1)c1cc(C)ccn1 299765529 ACRFKFYPVBJLEF-GFCCVEGCSA-N 288.355 1.424 0 50 CDAA Cc1nonc1OCCNc1cc([C@@H]2CCOC2)ncn1 299793666 HCFPSAHZQWPUSY-SNVBAGLBSA-N 291.311 1.163 0 50 CDAA CC(C)(C)c1cc(CNC(=O)[C@H]2CCCCO2)[nH]n1 299773348 FITNWYGWQNUCMQ-LLVKDONJSA-N 265.357 1.893 0 50 CDAA CN(Cc1ccccc1OCC(=O)O)C[C@H]1CCOC1 823715120 QWVGXRBKXAHJKT-GFCCVEGCSA-N 279.336 1.618 0 50 CDAA C[C@H](CCN=c1cc[nH]cc1F)N1CCN(C)CC1 823789374 IAKYHAGZXWKYSX-GFCCVEGCSA-N 266.364 1.081 0 50 CDAA CC1(C(=O)N2CCC[C@@H](CN3CCCC3)C2)COC1 584897771 HYDDKUGSYVDQJT-ZDUSSCGKSA-N 266.385 1.357 0 50 CDAA CCc1nccn1CCC(=O)NC[C@@]1(C)CCN(C)C1 670443009 JGGAAAIOURIQGK-OAHLLOKOSA-N 278.400 1.294 0 50 CDAA CC(C)(C)n1nnc(CNc2ccc(-n3ccnc3)nc2)n1 685942493 UXZJSEJHFSHVKS-UHFFFAOYSA-N 298.354 1.621 0 50 CDAA Cc1nc(O)nc(O)c1CC(=O)N1C[C@H](C)CCC[C@@H]1C 1548654161 OMTJKCFZIHUSQG-ZJUUUORDSA-N 293.367 1.776 0 50 CDAA O=C(NS(=O)(=O)c1ccc2c(c1)CCO2)C1CCC1 408484886 OPXZFMACGBZKCM-UHFFFAOYSA-N 281.333 1.227 0 50 CDAA NC(=O)COc1ccc(C(F)(F)F)nc1Br 408514110 MNMKSFQGRCDFMK-UHFFFAOYSA-N 299.046 1.727 0 50 CDAA CCN1CCN(C(=O)c2cn(C)c3ccccc23)CC1=O 273282150 JJKQKJICJAJBCS-UHFFFAOYSA-N 285.347 1.483 0 50 CDAA C[C@](O)(CNC(=O)c1cscn1)C(F)(F)F 270954325 UCTHYJILWOBNGS-ZETCQYMHSA-N 254.233 1.186 0 50 CDAA NC(=O)CC1CCN(c2cc(N3CCCC3)ncn2)CC1 277504553 RJUKUTBPYNBENO-UHFFFAOYSA-N 289.383 1.169 0 50 CDAA Cn1cnc(=O)n1[C@H]1CCCN(c2cccc(F)c2)C1=O 278688910 INTKSQBWFGAEDD-LBPRGKRZSA-N 290.298 1.089 0 50 CDAA C[C@@H](O)CCN(C)C(=O)c1cc(F)cc2nc(S)[nH]c12 170660303 HDEDSKOWNWHLSH-SSDOTTSWSA-N 297.355 1.834 0 50 CDAA CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1ccc(F)cn1 187944225 JBPKDLZBKVAHAQ-NSHDSACASA-N 280.303 1.209 0 50 CDAA CC(=O)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCOC2)C1(C)C 188584284 RYSHRUXCKCTZTL-FRRDWIJNSA-N 267.369 1.781 0 50 CDAA COCCn1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)n1 190985932 WNYULFKNIQECIN-WDEREUQCSA-N 267.329 1.283 0 50 CDAA C[C@@H](Cc1ccc(NC(=O)[C@H]2CCOC2)cc1)C(=O)O 191420036 YNXPUTHSCNTUON-JQWIXIFHSA-N 277.320 1.925 0 50 CDAA CC[C@@H]1CN(C)CCN1C(=O)Cc1ccc(C)nc1 585085979 CPOFRVQCRDTKIW-CQSZACIVSA-N 261.369 1.485 0 50 CDAA c1cnc2nc(N3CCC(N4CCOCC4)CC3)ccc2n1 585117994 OSQBPEDKGUQDLN-UHFFFAOYSA-N 299.378 1.326 0 50 CDAA CCN1C[C@@H](CNC(=O)c2noc3c2CCCC3)CC1=O 652838924 UDUQICAJFAFBJC-SNVBAGLBSA-N 291.351 1.152 0 50 CDAA CON(C)C1CN(c2nc(C3CCOCC3)ns2)C1 1612974528 VHJBDVHOYBZTBO-UHFFFAOYSA-N 284.385 1.114 0 50 CDAA Cc1cc(F)cc(S(=O)(=O)N2C[C@@H]3[C@@H](CF)[C@@H]3C2)c1 1614994252 ZOWWVSDGEKQTCI-XYYAHUGASA-N 287.331 1.970 0 50 CDAA Cc1cc(C)n2ncc(CN[C@H]3CC=CC[C@@H]3C(N)=O)c2n1 1616108809 UPPBLFVCWQBJSN-KBPBESRZSA-N 299.378 1.256 0 50 CDAA OC[C@H](O)C1CCN(CCCOCc2ccccc2)CC1 1772709139 MLHWWUJRDNBHCL-KRWDZBQOSA-N 293.407 1.659 0 50 CDAA Cc1ccc2sc(NCCc3nc(N)n[nH]3)nc2c1 1651918603 OIPNFQRIBLYMAD-UHFFFAOYSA-N 274.353 1.960 0 50 CDAA O=C(O)CCCNS(=O)(=O)/C=C/c1ccccc1 2028006 OATMKNVNERJQCC-CSKARUKUSA-N 269.322 1.442 0 50 CDAA Cc1nn(C)cc1NC(=O)CN1CC(c2ccncc2)C1 1506396620 CZPHHXATCWLUTA-UHFFFAOYSA-N 285.351 1.161 0 50 CDAA Cc1nnsc1CNC(=O)c1ccc2[nH]nnc2c1 218973443 NUHZLLRENNHAAQ-UHFFFAOYSA-N 274.309 1.048 0 50 CDAA O=C(c1cn2ccsc2n1)N1CCc2nocc2C1 1857686305 PUZHEULKOWKXJK-UHFFFAOYSA-N 274.305 1.582 0 50 CDAA Cc1cc(C)n(CCCN(C)CC2COCCOC2)n1 1857687329 SGDLSRATVUPSOO-UHFFFAOYSA-N 281.400 1.485 0 50 CDAA O=C(c1ncccc1O)N1CC(N2CCCCC2)C1 222877600 FGTBWWITSZZXBY-UHFFFAOYSA-N 261.325 1.098 0 50 CDAA O=C1C[C@@H](Cn2ccnc2-c2ccc(Cl)o2)CN1 1875243473 IIVDFOARXHQBBD-MRVPVSSYSA-N 265.700 1.933 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCNC(C)=O)C2 1704298949 KYDRIKFXUGXDGZ-HIFRSBDPSA-N 282.384 1.320 0 50 CDAA Nc1nccnc1C(=O)Nc1ccc2nccnc2c1 114679954 ZLWWOBDQXWVRNA-UHFFFAOYSA-N 266.264 1.254 0 50 CDAA CC(C)c1ncc(C(=O)N[C@@H]2CNCCC2(F)F)s1 335033567 RLVUTVPTHJQBPG-SECBINFHSA-N 289.351 1.994 0 50 CDAA O=C(O)C1(C(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 119004249 GGFOQEKOUAEEJG-SNVBAGLBSA-N 281.333 1.513 0 50 CDAA COc1cccc(CN2CC(F)(F)C[C@H]2CO)c1OC 372640255 OZPBFCOVLAPTEF-NSHDSACASA-N 287.306 1.906 0 50 CDAA CN(CC(=O)N1C[C@@H]2C[C@]2(C)C1)Cc1ccncc1 1772819393 TUKRLIPOKOILEP-DZGCQCFKSA-N 259.353 1.382 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC[C@@H]1C1(O)CC1 1772807034 IDVXBXHROJBECC-GFCCVEGCSA-N 263.341 1.248 0 50 CDAA CCOC(=O)c1c[nH]c2c(C)cccc2c1=NCCCO 5958515 MELOLIDDNSNYGV-UHFFFAOYSA-N 288.347 1.936 0 50 CDAA CC(C)C(=O)N[C@@H]1CCCN(C2CCN(C)CC2)C1 11704917 JHCDNRYHGMNMLE-CYBMUJFWSA-N 267.417 1.317 0 50 CDAA CN(C)c1ncc2c(n1)CCC[C@@H]2NC1CCOCC1 12702252 YSJLSYBWLFOBHV-ZDUSSCGKSA-N 276.384 1.689 0 50 CDAA COc1ccc(-c2noc(CN(C)[C@H]3CCOC3)n2)cc1 15063865 APELBHHSYZIPIT-LBPRGKRZSA-N 289.335 1.966 0 50 CDAA O=C1C[C@@H](NC2CCOCC2)CN1CC1CCCCC1 15066191 YUZGGZSYSMCLHV-OAHLLOKOSA-N 280.412 1.936 0 50 CDAA CCn1ccc(C(=O)Nc2ccc(C(N)=O)cc2)n1 6731341 RQQWZZRVYLRNEQ-UHFFFAOYSA-N 258.281 1.254 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccc(OC)nc1 428297925 BBXXFSDEPYCZDK-CHWSQXEVSA-N 278.352 1.912 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OC(C)(C)C 2556561 NSNZHQVMWJPBPI-QMMMGPOBSA-N 261.318 1.214 0 50 CDAA in-vitro CCC[C@](C)(CO)NC(=O)c1cccc2nn[nH]c12 119135070 IZLOTYPIAYMVOC-CYBMUJFWSA-N 262.313 1.239 0 50 CDAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(F)(F)F 120766480 JDGDCCVBZIYIAA-JTQLQIEISA-N 286.253 1.378 0 50 CDAA O=C(O)c1cccc2c1CCN(C(=O)[C@@H]1CCCOC1)C2 123868614 YZFRKBZFZYIGGJ-GFCCVEGCSA-N 289.331 1.696 0 50 CDAA O=C(NC1C[C@H]2C[C@@H]2C1)c1cc2c(O)ncnc2cn1 333525766 XBHBEHAOJDKMAG-HTQZYQBOSA-N 270.292 1.259 0 50 CDAA Cc1noc(CCCC(=O)N2CCC[C@@H](C)[C@H]2CN)n1 237488791 JOZWSLHGJTVLNY-ZYHUDNBSSA-N 280.372 1.287 0 50 CDAA NCc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1 237947242 AZTYSCXLJKDSOM-AWEZNQCLSA-N 299.378 1.289 0 50 CDAA CO[C@H]1C[C@@H](CO)N(Cc2ncc(C3CC3)o2)C1 344846045 GKACGDYLDIPUBV-QWRGUYRKSA-N 252.314 1.134 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)NC[C@H](N)c2ccccc2)C1 262569269 GBDOBAJGPYINKA-MCIONIFRSA-N 261.369 1.320 0 50 CDAA CN(C)c1nccc(NC[C@H]2NCCCC2(C)C)n1 234274414 NQTMFAYDEZWWJT-LLVKDONJSA-N 263.389 1.733 0 50 CDAA Cc1cc(F)ccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704337513 UXTDJGMPOUIIFW-JSGCOSHPSA-N 292.354 1.537 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1cccc2nccn12 818629601 HWQNPXZIYQQSMF-OAHLLOKOSA-N 289.335 1.400 0 50 CDAA CCOCc1nc(C)cc(N2CCO[C@H](CCF)C2)n1 928995662 GEJDFALUCZZVTG-GFCCVEGCSA-N 283.347 1.886 0 50 CDAA CCCn1cc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)cn1 864383145 TXWKOGRRVNUWQW-JTQLQIEISA-N 288.355 1.228 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)c1ccc2ncnn2c1 1875296746 MXVXOYFTKLMFAQ-UHFFFAOYSA-N 286.320 1.132 0 50 CDAA N=c1[nH]nc(-c2ccc(OC[C@@H]3C[N@]3CC3CC3)cc2)o1 1875385503 USYBLPZYUMTBON-BUXKBTBVSA-N 286.335 1.622 0 50 CDAA C=CC(=O)N(Cc1ccccc1)C[C@]1(O)CCOC1 1875375496 CJDOOQRFNLXADB-OAHLLOKOSA-N 261.321 1.353 0 50 CDAA CC(C)C[C@@H]1NC(=O)C[C@@H]2Cc3ccccc3CN2C1=O 1875311317 ULEYQABAHMXMPL-GJZGRUSLSA-N 286.375 1.875 0 50 CDAA CCn1ccnc1/C=C/c1nnc([C@]2(OC)CCOC2)o1 886086547 WESYHWQIWCZYHW-NNTXTVRGSA-N 290.323 1.718 0 50 CDAA CC[C@H]1C(=O)NCCCN1C(=O)c1ccn(C)c1C 886529322 BVUSIMBOSWMITG-LBPRGKRZSA-N 263.341 1.074 0 50 CDAA Cn1ccc(-c2noc([C@H]3C[C@H]4CCCCN4C3)n2)n1 1775998213 BKXJBYAVZUFOSD-WDEREUQCSA-N 273.340 1.812 0 50 CDAA N[C@H]1CN(C(=O)c2cnc3cc[nH]c3c2)CC12CCC2 1775960901 XPFVTWMTBVNWAS-ZDUSSCGKSA-N 270.336 1.516 0 50 CDAA O=C(O)[C@@H]1CC12CCN(C(=O)CC[C@H]1CCCO1)CC2 262477687 TXXYLOMHCHZXPU-NEPJUHHUSA-N 281.352 1.659 0 50 CDAA C[C@@H]1CCCC[C@@H]1C(=O)NC1(CC(=O)O)CCOCC1 263046521 JYCZKPBMAAQPQY-NEPJUHHUSA-N 283.368 1.953 0 50 CDAA O=C(Cc1ccn[nH]1)N1CCC[C@@](O)(C(F)(F)F)CC1 287697785 DGCBPHJMCHPFGH-NSHDSACASA-N 291.273 1.258 0 50 CDAA CC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCN1 67513753 RGMMHPBBTCHREQ-LLVKDONJSA-N 262.309 1.239 0 50 CDAA Cn1nnc(CN(Cc2cccs2)C[C@H]2CCCO2)n1 194442024 XVVMVOHVHJLWPZ-LLVKDONJSA-N 293.396 1.453 0 50 CDAA CCN=c1[nH]c(C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cs1 333141023 YRACHGCLOLNWKY-MNOVXSKESA-N 295.408 1.495 0 50 CDAA Cn1cccc1C(=O)N[C@H](CC(=O)O)C(F)(F)F 829371243 NJFCZMMAKZQZJZ-SSDOTTSWSA-N 264.203 1.161 0 50 CDAA CCOC(=O)c1[nH]c(=O)[nH]c1CSc1ccccn1 6529375 AALJDLQELQAHIE-UHFFFAOYSA-N 279.321 1.567 0 50 CDAA O=C(Nc1nncs1)c1c[nH]c2ccc(F)cc2c1=O 15110141 UGBKLCJRBJDQSL-UHFFFAOYSA-N 290.279 1.771 0 50 CDAA COC(=O)c1cc2n(n1)C[C@H](c1ccc(OC)cc1)OC2 643919643 UUECEYQZEHOQMN-CQSZACIVSA-N 288.303 1.950 0 50 CDAA Cc1ccc(-c2noc(C3=NN4CCCN=C4N3)n2)s1 2325774289 BWDFUNIKCTVCKF-UHFFFAOYSA-N 288.336 1.433 0 50 CDAA CO[C@H]1CNC[C@H](C(=O)Nc2ccc3cnn(C)c3c2)C1 2325776921 NPNPIBIWMSNTPR-DGCLKSJQSA-N 288.351 1.136 0 50 CDAA 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1.159 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)/C=C/c2c(F)cccc2F)C1 237958196 ASHBOQBRAURKCR-MOVJSRMASA-N 281.258 1.911 0 50 CDAA C[C@H]1COc2ccccc2CN1C(=O)c1cn(C)nn1 290299096 NKPBOCXXOKWASM-JTQLQIEISA-N 272.308 1.238 0 50 CDAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC1CCN(C)CC1 241132794 JLQPUSKJVUEMNM-DJIMGWMZSA-N 295.471 1.560 0 50 CDAA CCN1CCN(C(=O)c2cc(Cl)cc(F)c2N)CC1 241287124 LKDHUUQXBJQDDR-UHFFFAOYSA-N 285.750 1.839 0 50 CDAA CO[C@H]1CNC[C@H]1NC(=O)CCC(=O)c1ccc(C)s1 241383497 MVTZZNTZGIGHKQ-PWSUYJOCSA-N 296.392 1.122 0 50 CDAA Cc1ncc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)c(=N)[nH]1 614412106 CKVKEANFSIEHFT-RYUDHWBXSA-N 283.335 1.126 0 50 CDAA COCCN(Cc1ccccn1)C(=O)C[C@H]1CCNC1 89745426 HBGRJCKTXPEVHE-CYBMUJFWSA-N 277.368 1.056 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)Cc1noc2ccccc12 177345723 KONIKYUIBRWWRN-NSHDSACASA-N 274.320 1.865 0 50 CDAA CCc1nccn1CCC(=O)N[C@@H](C)Cc1cnccn1 223070085 BIRNIVFEQWHUNI-LBPRGKRZSA-N 287.367 1.373 0 50 CDAA N[C@H]1CCCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 82107644 GUCCWJQNSRVVIT-LBPRGKRZSA-N 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CCOCCC(=O)NC(C)(C)CN1CCCCC1 584895660 JHMFLDOJVDOGLW-UHFFFAOYSA-N 256.390 1.794 0 50 CDAA COc1ccccc1OCCNc1nc(C)cc(O)n1 1347856882 YWOXDFHCABPGJK-UHFFFAOYSA-N 275.308 1.990 0 50 CDAA COc1cccc(C(=O)NC2(c3ccccc3)COC2)n1 888566506 XVHDTCNTMPQYJL-UHFFFAOYSA-N 284.315 1.746 0 50 CDAA CC[C@@H](NC(=O)CCc1cn[nH]c1)c1ccnn1C 952962411 DAIVOGARJOURJC-LLVKDONJSA-N 261.329 1.343 0 50 CDAA CC1=C(C(=O)N2CCN[C@H](c3ccccc3)C2)OCCO1 952977629 NWATZSRCSWVLDM-AWEZNQCLSA-N 288.347 1.438 0 50 CDAA Cn1cc(Cl)cc1C(=O)NC1(C(=O)O)CCCC1 37365875 GVLXZYHTIXNNQX-UHFFFAOYSA-N 270.716 1.806 0 50 CDAA CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)O)CO2)C1 91303911 YQIOAEQQZQISNG-QMMMGPOBSA-N 257.286 1.097 0 50 CDAA in-vitro C[C@@H]1CCN(S(=O)(=O)N(C)Cc2cccnc2)C1 408140919 URDSLGGJXOQAPG-LLVKDONJSA-N 269.370 1.100 0 50 CDAA c1ccc(-n2nnnc2CN2CCOC3(CCCC3)C2)cc1 269002368 PKSKCKBJOVBSSJ-UHFFFAOYSA-N 299.378 1.807 0 50 CDAA CCn1cnc2c(N3CC[C@H](N(C)C)[C@@H]3C)ncnc21 408518611 PWMDKAWYBNWBHF-QWRGUYRKSA-N 274.372 1.375 0 50 CDAA Cc1ccnc(CN=c2nc(CC(C)C)[nH]s2)n1 408523370 JOALJAQHHPSSGH-UHFFFAOYSA-N 263.370 1.869 0 50 CDAA O[C@H](CCc1ccccc1)Cn1nnnc1-c1ccccn1 170078208 UHOYORRTXBHCDX-CQSZACIVSA-N 295.346 1.729 0 50 CDAA COc1nnc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)s1 278587768 KSLTZLOONJPENM-IUCAKERBSA-N 298.368 1.626 0 50 CDAA CO[C@@H](C)[C@H](C)NC(=O)c1nn(-c2ccccc2)cc1O 170605367 BXMWOVVVIXXBMU-QWRGUYRKSA-N 289.335 1.731 0 50 CDAA CN(C)[C@@H](CN1C(=O)[C@H]2CCCN2C1=O)c1ccccc1 170613689 KKBYBYXMHDZYLP-KGLIPLIRSA-N 287.363 1.716 0 50 CDAA CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCOc2ccc(F)cc21 187658386 HGWVVYXKUGCKSB-VXGBXAGGSA-N 292.310 1.386 0 50 CDAA Cc1nccc(N2CCC[C@H](S(C)(=O)=O)CC2)n1 669662346 VGPOJRNPTVJFMJ-NSHDSACASA-N 269.370 1.189 0 50 CDAA CC(C)[C@H](CNS(C)(=O)=O)ONC(=O)OC(C)(C)C 583651962 WDWHEPOPNQPMFL-VIFPVBQESA-N 296.389 1.017 0 50 CDAA COCc1nc(C)cc(N(C)Cc2c[nH]nc2C)n1 585092303 OEXQEKPKTVKXGR-UHFFFAOYSA-N 261.329 1.599 0 50 CDAA COC(=O)c1ccnc(N2CCC(C3OCCO3)CC2)c1 585118376 MAVWMGTZUKWQCI-UHFFFAOYSA-N 292.335 1.458 0 50 CDAA Fc1cccc(F)c1CN1CCO[C@H](Cn2ccnn2)C1 585116008 DEDYCUOWAIVWII-NSHDSACASA-N 294.305 1.457 0 50 CDAA Cc1cccnc1OC1CCN(Cc2cn(C)nn2)CC1 564404758 YDSONUPDHWDGJB-UHFFFAOYSA-N 287.367 1.562 0 50 CDAA Cc1ccc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)o1 829372732 XTUBNMGZZBSWNG-ZETCQYMHSA-N 265.187 1.723 0 50 CDAA C[C@@H](NC(=O)[C@]1(C(=O)O)CC=CCC1)c1ncon1 653309394 BQGFHUXQIAESBQ-PELKAZGASA-N 265.269 1.058 0 50 CDAA CC(C)CN1CCC(N[C@H](C)c2nncn2C)CC1 67757390 BAVPTOFGTQLWEJ-GFCCVEGCSA-N 265.405 1.586 0 50 CDAA Cc1cccn2c(NC(=O)[C@@H]3C[C@@H]4C[C@H](N)[C@@H]4C3)cnc12 1615555888 ZJSGMRWLIOBNAY-LPWJVIDDSA-N 284.363 1.955 0 50 CDAA COCc1ccc(C(=O)N[C@@H]2C[C@@H](N)C23CCC3)cc1F 1615553464 HBDONGLXEYHKHR-ZIAGYGMSSA-N 292.354 1.972 0 50 CDAA C[C@H](NC(=O)c1ccn(CC(F)(F)F)n1)c1ncon1 1615591432 XITYIRYQXONGNL-LURJTMIESA-N 289.217 1.319 0 50 CDAA Cc1ncc(C)c(N2CC[C@@H](c3cnccn3)C2)n1 1643225890 FTIAIKNLLPPHQR-GFCCVEGCSA-N 255.325 1.877 0 50 CDAA Cc1cnc(CN2CCC(C3CCNCC3)CC2)cn1 1857720156 HBJQPLBFBIEPKI-UHFFFAOYSA-N 274.412 1.997 0 50 CDAA CO[C@@H](C(=O)NCc1ncc(C)[nH]1)c1ccccc1 216250798 PKEDKKABIGNROY-CYBMUJFWSA-N 259.309 1.722 0 50 CDAA Cc1cc(C(=O)O)nc(-c2cnc3c(c2)CCN3C)n1 1875249721 SWWHZDFSYOKTJK-UHFFFAOYSA-N 270.292 1.538 0 50 CDAA C[C@@H](C(=O)Nc1nccn1C)n1cnc2ccccc21 1529172990 UNZXPYDEBQTUAU-JTQLQIEISA-N 269.308 1.970 0 50 CDAA CN(CCN(C)C1CCCC1)c1cnc(C(=O)O)cn1 1529095675 SKVIOGCQRHTNCY-UHFFFAOYSA-N 278.356 1.485 0 50 CDAA COCCN(C(=O)c1cnccc1C)[C@H]1CCOC1 330961944 BWJCKMDKXBIMJS-LBPRGKRZSA-N 264.325 1.268 0 50 CDAA CC1(C)CN(C(=O)C[C@@H]2CCCCC(=O)N2)CCS1 336365628 FTTYMSIAOTVUOT-NSHDSACASA-N 284.425 1.789 0 50 CDAA CC(C)c1nnc(N2CCN(C)C3(CCOCC3)C2)s1 1800411847 POYVLCDZDSHJCV-UHFFFAOYSA-N 296.440 1.963 0 50 CDAA CCSCCCNC(=O)Nc1cc(COC)ncn1 337539285 JGZWFHGIYVHGOO-UHFFFAOYSA-N 284.385 1.888 0 50 CDAA CC(=O)N1CCc2cc(Br)cc(N)c21 16678023 DBKBKWSBFWROLO-UHFFFAOYSA-N 255.115 1.940 0 50 CDAA in-vitro CC[C@@H](C(=O)O)N(C)C(=O)c1ccc(OC)cc1F 228705340 UEKJXOCSDKAGLK-NSHDSACASA-N 269.272 1.770 0 50 CDAA CCOC(=O)[C@@H](C)N1CCC(N2CCO[C@@H](C)C2)CC1 229781354 CXKWLHUVTJLHIU-QWHCGFSZSA-N 284.400 1.123 0 50 CDAA CC[C@@]12C[C@H]1CN(C(=O)c1cc3ncccn3n1)C2 1772814629 KPRAWUOWCDMUBS-HZMBPMFUSA-N 256.309 1.601 0 50 CDAA CCOCCOC(=O)Cn1c(=O)sc2ccccc21 5592891 KBYQAFREAUEJJR-UHFFFAOYSA-N 281.333 1.643 0 50 CDAA O=C(NC1CCC1)[C@@H]1CCC(=O)N(C2CCCC2)C1 11934613 MVJQFOJQHCNYKT-LLVKDONJSA-N 264.369 1.836 0 50 CDAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(CCO)C1 12593939 DISAUHXHWRZCEE-LBPRGKRZSA-N 277.320 1.302 0 50 CDAA Cc1c(NS(C)(=O)=O)cccc1C(=O)N1CCCCC1 13680382 CGLOPIDYUTYRMS-UHFFFAOYSA-N 296.392 1.993 0 50 CDAA C[C@H]1CN2C[C@@H](NC(=O)c3ccc(F)cc3O)C[C@H]2CO1 1857739572 NQQPTNNNLIFBEE-DLOVCJGASA-N 294.326 1.123 0 50 CDAA CC(C)n1ncc2cc(S(=O)(=O)NC[C@@H](C)O)ccc21 330603976 XWNJTGIGDJFYCL-SNVBAGLBSA-N 297.380 1.276 0 50 CDAA COC[C@H]1CN(c2ncnc3scc(C)c23)CCO1 408521323 PKYYXDWSBPLYSB-SNVBAGLBSA-N 279.365 1.851 0 50 CDAA CN(CC(=N)O)C[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 328631330 KIJGIHYZBDVZBZ-UONOGXRCSA-N 281.400 1.511 0 50 CDAA O=C(CCn1ccnn1)N[C@@H]1CCc2ccccc2C1 331618210 DYUWQUKDAMIGJY-CQSZACIVSA-N 270.336 1.342 0 50 CDAA N=c1nc(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)[nH][nH]1 647734513 VMEUQXLBGWMEGM-NSHDSACASA-N 275.356 1.280 0 50 CDAA Cc1n[nH]cc1CN1CCNC(=O)[C@@H]1CC1CCCCC1 333881413 UPGFBZUBTTXDFU-HNNXBMFYSA-N 290.411 1.989 0 50 CDAA NC[C@H]1CC[C@H](CNC(=O)[C@@]2(C(=O)O)CC=CCC2)CC1 656852472 DZTQFUOOKUUVSK-XJKCOSOUSA-N 294.395 1.679 0 50 CDAA CN(C)C[C@H](O)CN[C@H]1CCC[C@H]1Cc1ccccc1 252586182 OAGBLHRSQXVBCI-BBWFWOEESA-N 276.424 1.910 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCn3nccc31)C2 367499282 AMBMJPCXCBDBAP-CQSZACIVSA-N 283.331 1.850 0 50 CDAA CCn1ncnc1CN1CCOC[C@@H]1c1c(C)n[nH]c1C 373279461 SULXGJDSWRFGDK-GFCCVEGCSA-N 290.371 1.211 0 50 CDAA Cc1cc(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)no1 262083483 HEJWMGZFYAIULC-UHTWSYAYSA-N 292.335 1.770 0 50 CDAA CCN1CCCC[C@H]1CNc1cnc(C(=O)OC)cn1 584908606 IZDFHCPCBCONTQ-NSHDSACASA-N 278.356 1.550 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2cncnc2C2CC2)C1 908599725 SVLCXXFBIDXPQK-JTQLQIEISA-N 275.308 1.291 0 50 CDAA CCn1ncc(C(=O)NC[C@H](C)CC(=O)O)c1C 909486833 JBMPHBLMIVDYOZ-MRVPVSSYSA-N 253.302 1.052 0 50 CDAA O=C(C[C@H]1CCNC1)NCCOCc1ccccc1 129053082 DMAONXYHKNAZMD-CQSZACIVSA-N 262.353 1.319 0 50 CDAA O=C([C@@H]1CC[C@@H]2C[C@@H]21)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 1875291706 JDZUSLRUMGQRJT-OVKLUEDNSA-N 263.337 1.888 0 50 CDAA NCc1ncc(C(=O)N[C@@H]2CCCc3n[nH]cc32)s1 1875327477 YVQCRMZNQWMAAJ-MRVPVSSYSA-N 277.353 1.132 0 50 CDAA Cc1noc(=O)n1Cc1nc(-c2ccsc2)no1 1875391340 NWIXONKFXGFJTI-UHFFFAOYSA-N 264.266 1.305 0 50 CDAA CN(C)C1(C)CN(C(=O)c2cc(-c3cccnc3)on2)C1 1875319477 DQYOBGNKWZKTSQ-UHFFFAOYSA-N 286.335 1.513 0 50 CDAA C[C@@H]1C[C@H](Nc2ncc3c(n2)SCC(=O)N3)CC[C@H]1O 1875320406 CAPNHJSFYUXONZ-NQMVMOMDSA-N 294.380 1.482 0 50 CDAA COc1ccccc1S(=O)(=O)NCCc1cnoc1 877871590 SMADZCNWCBJCHD-UHFFFAOYSA-N 282.321 1.204 0 50 CDAA O=C(C[C@H]1C=CCCC1)N1CC(c2cc(CO)on2)C1 886086326 SVJZEVMTALISEF-NSHDSACASA-N 276.336 1.839 0 50 CDAA c1ccc(OCCn2nnnc2N2CCCC2)cc1 888094874 FHIIUZQFIMTKPY-UHFFFAOYSA-N 259.313 1.352 0 50 CDAA COc1cccc(C2(C(=O)NCc3cn(C)cn3)CC2)c1 890108529 ZWRWVBMXAAGQHY-UHFFFAOYSA-N 285.347 1.777 0 50 CDAA C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)CC(=O)O 157787506 ILISPPGFBQBYPF-VIFPVBQESA-N 279.292 1.298 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)nn1C 261636050 GRWURHBPSWJPCX-NSHDSACASA-N 279.340 1.588 0 50 CDAA CN1CC[C@H](N2CCN(C)c3ccccc3C2)C1=O 265397908 WXTZYJZNJFCSQW-AWEZNQCLSA-N 259.353 1.169 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)ccn3)C[C@H]21 170078565 YPIHEGPZCTYZTH-FBIMIBRVSA-N 265.744 1.544 0 50 CDAA C[C@H](CC(C)(C)O)NC(=O)c1ccc(O)cc1F 297296724 UPKZZHJIMRQTBE-MRVPVSSYSA-N 255.289 1.811 0 50 CDAA CO[C@H]1COCC[C@@H]1Nc1ncnc2ccsc12 311102878 UMJDWEHJJOODCB-WPRPVWTQSA-N 265.338 1.907 0 50 CDAA OC[C@@H]1CN(Cc2ccc(Cl)nc2Cl)C[C@@H]1O 316461331 HNKLUUITBQMWRU-IUCAKERBSA-N 277.151 1.173 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)c1ccncc1F 336558817 QEDFTZDRFDJABG-SNVBAGLBSA-N 274.299 1.410 0 50 CDAA CCC[C@H](C(=O)O)N1CCO[C@@H](c2cnn(C)c2)C1 582852208 YBSOBCATNNHCSN-VXGBXAGGSA-N 267.329 1.047 0 50 CDAA COCc1nc(-c2ccc(OC)c(OC)c2)nn1C 2100534870 XXMDDACFBFIQLJ-UHFFFAOYSA-N 263.297 1.646 0 50 CDAA CCN1CCn2c(nnc2-c2cccc(OC)c2)C1=O 2100539318 CFYVUJRBROPFCK-UHFFFAOYSA-N 272.308 1.429 0 50 CDAA CCC[C@@H](NC(=O)c1cccn1C1CC1)C(=O)N(C)C 2325790195 YVUHRRPXQXVOSZ-GFCCVEGCSA-N 277.368 1.810 0 50 CDAA O=C(NC[C@H]1CCc2cc(F)ccc2O1)c1coc(O)n1 2325804506 UHLNYFWVVFDBJQ-SNVBAGLBSA-N 292.266 1.643 0 50 CDAA CCCn1cc([C@@H](C)NCc2cccc(C(N)=O)c2)nn1 902732513 FTRKPDYLVAIHJQ-LLVKDONJSA-N 287.367 1.638 0 50 CDAA COc1ccc(CNC(=O)CSc2nccn2C)cc1 6370340 VAQDYNLMGSFMIS-UHFFFAOYSA-N 291.376 1.837 0 50 CDAA Cc1cccc(C)c1NC(=O)C[C@H](C(=O)O)N(C)C 195846 UHXBSZUXPNWCIB-LLVKDONJSA-N 264.325 1.647 0 50 CDAA CC(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1 279187 MFNWFTFNUHPKDN-UHFFFAOYSA-N 269.304 1.970 0 50 CDAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCCn1ccnc1 3622365 FLQLGLDWTSRBJO-VXGBXAGGSA-N 261.325 1.448 0 50 CDAA CCOc1ccccc1N(C(C)=O)[C@H]1C=CS(=O)(=O)C1 4387483 GLJFKBSUCSGNQF-LBPRGKRZSA-N 295.360 1.749 0 50 CDAA CCn1nnnc1NCc1cc(OC)c(OC)c(OC)c1 8339934 YUBBVZVFMSTCOG-UHFFFAOYSA-N 293.327 1.331 0 50 CDAA NC(=O)c1ccc(NC(=O)CCN2CCSCC2)cc1 103467897 GZFLGJKGFWYYBP-UHFFFAOYSA-N 293.392 1.163 0 50 CDAA COCCNC(=O)N1CCN(c2ccc(F)cc2)CC1 9218462 LIAGKMDDVVAGBD-UHFFFAOYSA-N 281.331 1.304 0 50 CDAA CCCc1nc(C(F)F)n(C[C@@H](O)COC(C)C)n1 225824401 YPHSKNMNJSOEFY-SECBINFHSA-N 277.315 1.954 0 50 CDAA COc1ccc(C(=O)N(C)[C@H]2CCNC2)c(F)c1 226249726 LOUAYKJTIKZJDP-VIFPVBQESA-N 252.289 1.268 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 104334667 NQFMEKCHBQAPAY-RBJBARPLSA-N 285.299 1.920 0 50 CDAA Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)CC(=O)O)c1 55183123 QEYIFFJQPVZASA-NSHDSACASA-N 265.309 1.614 0 50 CDAA CCCSc1ncc(CN(CC)[C@H]2COC[C@@H]2O)cn1 55042085 ZVSNPZZJBKCKIP-STQMWFEESA-N 297.424 1.560 0 50 CDAA CC(C)Cc1nc(CO)n(-c2ccc3c(c2)OCCO3)n1 65405921 YLCVNLVXPSIRAL-UHFFFAOYSA-N 289.335 1.729 0 50 CDAA 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FVVGSMHQUWANAQ-PWSUYJOCSA-N 263.316 1.321 0 50 CDAA C[C@H]1OC(=O)N[C@H]1C(=O)N1CCOC2(CCCCC2)C1 408521700 IIVVUWSDHUTBPW-GHMZBOCLSA-N 282.340 1.045 0 50 CDAA Cc1noc([C@@H]2CC[C@H](CN[C@H](C)Cn3cccn3)O2)n1 328632727 SBWADHHFIAVMRL-RTXFEEFZSA-N 291.355 1.473 0 50 CDAA N=c1nc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)[nH][nH]1 647734512 VMEUQXLBGWMEGM-LLVKDONJSA-N 275.356 1.280 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)ncn1 653327899 BBRZFLYFKCVEBE-QWHCGFSZSA-N 297.314 1.828 0 50 CDAA CC(C)[C@]1(CO)CCCN(c2ccnc(N(C)C)n2)C1 338806407 CBRDVCIAJKXVTF-OAHLLOKOSA-N 278.400 1.778 0 50 CDAA C[C@@H]1CC[C@@H](Nc2ccn(CCC(N)=O)n2)C[C@H]1C 253370464 RFWUWVXZBDGAHS-IJLUTSLNSA-N 264.373 1.995 0 50 CDAA O[C@H](COc1ccc2c(c1)CCC2)CN1CCOCC1 19957461 NZRUJSPPYSVHTK-HNNXBMFYSA-N 277.364 1.247 0 50 CDAA CC[C@@H](C)[C@H](N)C(=O)N1CCC(c2ccnn2C)CC1 155691572 QZOAFWHNYKYXNH-RISCZKNCSA-N 278.400 1.500 0 50 CDAA CC1=NN(c2ccccc2)C(=O)[C@@H]1C(C)(C)S(=O)(=O)O 261509093 ZTRMFRPCFQOIBI-LLVKDONJSA-N 296.348 1.692 0 50 CDAA in-vitro C[C@H](C(=O)O)N1CCCN(C(=O)CC2CCCC2)CC1 262191316 GCIJYUCQPJVKPV-GFCCVEGCSA-N 282.384 1.574 0 50 CDAA Cc1cc(CNC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)no1 585121111 GGAAPMQUGGLSHT-ZDUSSCGKSA-N 289.339 1.403 0 50 CDAA CCN(C(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1)C(C)C 585137619 JVRQKZMBJPXDCV-UHFFFAOYSA-N 294.403 1.257 0 50 CDAA O=C(N[C@@H]1CCc2ccccc2OC1)c1cnco1 801444193 VSEKLXJVYQAKNJ-LLVKDONJSA-N 258.277 1.798 0 50 CDAA Cc1cncc(C(=O)N2CCc3occc3[C@@H]2C(=O)O)c1 910203550 ZIHUALVMYDQXTB-CYBMUJFWSA-N 286.287 1.807 0 50 CDAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1cc[nH]n1 858008469 SNOGLHLNYRSMKO-CMPLNLGQSA-N 289.339 1.041 0 50 CDAA C[C@@H]1NC(=O)[C@H](C)N(C(=O)NCc2ccccc2)[C@@H]1C 864095451 LXFQKFVMPUIJNH-TUAOUCFPSA-N 275.352 1.494 0 50 CDAA c1cnc(NCCc2nc3c(s2)COCC3)cn1 952878861 DMBJFNOAALNMKZ-UHFFFAOYSA-N 262.338 1.660 0 50 CDAA C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H](CO)[C@H]1CO 952993735 JSDCKCXSHHCJOW-APIJFGDWSA-N 283.412 1.795 0 50 CDAA O=C(NCc1ccc2c(c1)CCCO2)c1nc[nH]n1 1875290334 UIHUVXFIJQKMSE-UHFFFAOYSA-N 258.281 1.060 0 50 CDAA C[C@@H](O)Cn1cnc(-c2ccccc2)c1-c1ncnn1C 1875269119 GOWHEMPALWWQDZ-LLVKDONJSA-N 283.335 1.726 0 50 CDAA Cc1cnc2n1CCN(c1ncc(Br)cn1)C2 1875256703 LNTDORZPXUYQMD-UHFFFAOYSA-N 294.156 1.764 0 50 CDAA O=C(NO[C@H]1CCOC1)[C@@H]1CSC[C@H]1c1ccccc1 1875266735 VOQLOTSTGFHHED-MELADBBJSA-N 293.388 1.970 0 50 CDAA CNC(=O)[C@H](C)CN(C)c1cc(O)nc2ncccc12 1875295260 VJWUYRUUDHHKRI-SECBINFHSA-N 274.324 1.154 0 50 CDAA COc1cc(C(=O)N=c2[nH][nH]cc2C2CC2)ccc1CN 1875314932 ASYAIMDGLUKDIM-UHFFFAOYSA-N 286.335 1.429 0 50 CDAA Cc1ccc([C@@H](CNC(=O)C[C@@H](O)C2CC2)N(C)C)cc1 1775999192 PASRVLOAXOMRJY-HZPDHXFCSA-N 290.407 1.875 0 50 CDAA CC1(C)CCC[C@@H](C(=O)N[C@@H]2CCC(=O)NC2=O)C1 179068300 YBMKAZIJIAOCIY-NXEZZACHSA-N 266.341 1.124 0 50 CDAA O[C@]1(CN[C@H]2CCN3CCC[C@H]3C2)CCSC1 305377681 ZVIDZIHTESLOEZ-AVGNSLFASA-N 256.415 1.071 0 50 CDAA CN(C)CC[C@H]1CCCCN1Cc1cncn1C 72163575 CCPWOIJBJCFJQB-CYBMUJFWSA-N 250.390 1.726 0 50 CDAA Cc1cc(C)n([C@@H]2CCCN([C@@H](C)C(=O)O)C2)n1 604774300 OKTZSQVAKCURDB-NWDGAFQWSA-N 251.330 1.610 0 50 CDAA CCn1ncnc1CNCC1(N(C)C)CCCCC1 638281287 PRVOYXINKITIBO-UHFFFAOYSA-N 265.405 1.652 0 50 CDAA C[C@@H]1CC(=O)NCCN1Cc1ccc2c[nH]nc2c1 367672836 SGEXCPIZPGSDDB-SNVBAGLBSA-N 258.325 1.273 0 50 CDAA CCN(c1cc(C)nc(Cl)n1)[C@@H]1CCS(=O)(=O)C1 387310569 SCAMPBAWTUTTMS-SECBINFHSA-N 289.788 1.452 0 50 CDAA COc1nscc1CN(C)c1ccnc(CO)c1 723230337 VDIOTQLGFJXVBT-UHFFFAOYSA-N 265.338 1.675 0 50 CDAA Cc1cc(NC(=O)c2nn(C)c(=O)c3ccccc23)no1 4770422 VYWZGHYZWMYMBE-UHFFFAOYSA-N 284.275 1.482 0 50 CDAA CC(C)CN(CCNC(=O)CN1CCCC1=O)CC(C)C 27734438 BDXBVRVWHFAHHO-UHFFFAOYSA-N 297.443 1.339 0 50 CDAA O=C(NC1=NCCS1)c1cnc(-c2cnccn2)s1 2325703570 YUXKQBWDTHQYKC-UHFFFAOYSA-N 291.361 1.433 0 50 CDAA Cc1cnc2ccc(C(=O)N[C@H](CO)Cc3ccoc3)cn12 2325795126 HMUPHFPOQMPXHO-AWEZNQCLSA-N 299.330 1.569 0 50 CDAA CCN(C[C@@H](C)c1nn[nH]n1)C(=O)C1Cc2ccccc2C1 2325809009 RDADBLFOUHSEHL-LLVKDONJSA-N 299.378 1.567 0 50 CDAA C[C@@H](O)Cn1cnc2c(N3CCCCC[C@H]3C)ncnc21 2325815225 VUCQGHJNVKWWBE-VXGBXAGGSA-N 289.383 1.976 0 50 CDAA Cc1cn(CC(F)(F)F)[nH]c1=NC(=O)C12CC1C2 2325900614 BTDRRGCIOQVMMQ-UHFFFAOYSA-N 259.231 1.524 0 50 CDAA CO[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C)C1 1433932353 MPLCIMMDTHRMLQ-NWDGAFQWSA-N 288.351 1.457 0 50 CDAA CS(=O)(=O)Nc1ccccc1I 272943 LDYJASRWKZXTBH-UHFFFAOYSA-N 297.117 1.663 0 50 CDAA in-vitro COC(=O)[C@@H](C)n1cnc2sc(C)c(C)c2c1=O 307471 QSBRZZKSWYSVKM-SSDOTTSWSA-N 266.322 1.809 0 50 CDAA CCOC(=O)c1c(C)n(CCO)c2ccc(O)cc12 323222 JGOOHXYNYXTIPI-UHFFFAOYSA-N 263.293 1.824 0 50 CDAA CCOC(=O)C(CCCN(CC)CC)C(=O)OCC 2166423 BLYNLPYSPJSYHY-UHFFFAOYSA-N 273.373 1.851 0 50 CDAA CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCCO 2250378 JCNCQQQXPGUYDS-UHFFFAOYSA-N 276.336 1.209 0 50 CDAA Sc1nnc(NCNc2nnc(S)s2)s1 2383083 RSNWORHVUOZYLT-UHFFFAOYSA-N 278.413 1.449 0 50 CDAA CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2539207 BPYLRGKEIUPMRJ-QMMMGPOBSA-N 261.318 1.779 0 50 CDAA CCOc1ccccc1CC1C(=O)N(C)C(=O)N(C)C1=O 2999996 LQCAYAQDRSXAQH-UHFFFAOYSA-N 290.319 1.294 0 50 CDAA CCCCO[C@H]1CS(=O)(=O)C[C@@H]1OCCCC 4012786 YZMAHZNNBVQSKT-RYUDHWBXSA-N 264.387 1.785 0 50 CDAA CCOc1cc(CNC2CCCC2)ccc1OCC(N)=O 6702446 HWXBYJNRPICEBK-UHFFFAOYSA-N 292.379 1.982 0 50 CDAA CC(C)(C)[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2)C1=O 225556674 VZISIIIGCBJNII-GFCCVEGCSA-N 289.335 1.592 0 50 CDAA CCc1nnc(CN(C)Cc2c(C)nn(C)c2Cl)o1 225674442 HPVMEDXKQNFMBF-UHFFFAOYSA-N 283.763 1.959 0 50 CDAA O=C1CN(C(=O)NCCc2ccc(Cl)cc2)CCN1 53504113 JKKACZJVKDMASN-UHFFFAOYSA-N 281.743 1.024 0 50 CDAA Cc1cc(C(=O)NCCCCC(N)=O)ccc1O 227057802 ZOULLCZWCSVHJR-UHFFFAOYSA-N 250.298 1.086 0 50 CDAA O[C@@H]1CCOC[C@H]1[C@H]1CCCN1c1ccc(F)cn1 343276605 PHEJKYDJYGIBJI-YNEHKIRRSA-N 266.316 1.587 0 50 CDAA CN(C)NCc1cccc(OCCCN2CCOCC2)c1 67629852 IVTXNTYQBNQBBW-UHFFFAOYSA-N 293.411 1.354 0 50 CDAA O=C1CC(C(=O)Nc2ccc(-n3cncn3)c(F)c2)C1 136521366 QUPWNPDEEJURGX-UHFFFAOYSA-N 274.255 1.324 0 50 CDAA c1ccc2c(c1)SCc1nnc(CN3CCOCC3)n1-2 216804252 DJSUHDFQGSORIQ-UHFFFAOYSA-N 288.376 1.705 0 50 CDAA Cc1nc(-c2noc(C(=O)N3CC[C@H](C)C3)n2)co1 350337456 WBDCRBIDAVIUBP-ZETCQYMHSA-N 262.269 1.515 0 50 CDAA CCC(=O)NCCC(=O)Nc1cc(F)ccc1C 65362969 JDLXBRYXGPEZOQ-UHFFFAOYSA-N 252.289 1.989 0 50 CDAA Nc1nnc(CC(=O)N[C@H]2CCc3ccccc3C2)s1 20860218 JJSHVJCSLIBQNN-NSHDSACASA-N 288.376 1.337 0 50 CDAA O=C(CNC[C@H]1CCCCO1)NCCc1ccc(F)cc1 65508322 KKUVPFJBZUFBGM-OAHLLOKOSA-N 294.370 1.643 0 50 CDAA Cc1nnc([C@H](C)N2CCN(c3cncc(F)c3)CC2)o1 328901848 ZPEZTNRJTSCTCG-JTQLQIEISA-N 291.330 1.795 0 50 CDAA CCCCNc1cc(N(C)Cc2cnccn2)nc(N)n1 252500436 SVQZVPQFTKWCGF-UHFFFAOYSA-N 287.371 1.697 0 50 CDAA C[C@H]1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)C1 34926613 OPVNECQVFSMLKB-ZDUSSCGKSA-N 290.363 1.836 0 50 CDAA COC(=O)c1ccc(C(=O)NC[C@@H]2CC=CCC2)cn1 122272690 AJMPNVSMLJYNGK-LLVKDONJSA-N 274.320 1.954 0 50 CDAA CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C(N)=O)cc1 328592162 DUPMGRRHMUSKQP-AWEZNQCLSA-N 289.379 1.342 0 50 CDAA COc1cc(C(=O)N(C)C[C@H]2CCn3ccnc3C2)on1 328616846 CDJWNUQIBDBNEB-JTQLQIEISA-N 290.323 1.214 0 50 CDAA CNC(=O)CC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 363706405 NALYSENOTWETCM-ZDUSSCGKSA-N 278.327 1.495 0 50 CDAA CC(C)CN(Cc1ccsc1)C[C@]1(O)CCNC1 77505351 OIQDKDLVHOCSMJ-AWEZNQCLSA-N 268.426 1.931 0 50 CDAA OC[C@@]1(F)CCCN(Cc2nnc(C3CC3)n2C2CC2)C1 367859992 YSLFKIAOURRXDE-OAHLLOKOSA-N 294.374 1.787 0 50 CDAA Cc1nc(N(C)C)nc(NC2CCN(C)CC2)c1C 32516053 VZKCKGAYTLPCIR-UHFFFAOYSA-N 263.389 1.666 0 50 CDAA COCCNCCNC(=O)[C@@H]1CCc2ccccc21 262080009 DWAFXZYOZBIHEQ-CQSZACIVSA-N 262.353 1.069 0 50 CDAA Cc1nc2c(c(N3CC[C@](C)(C(=O)O)C3)n1)CCCC2 262963591 ADBKRQXRRCCVEX-HNNXBMFYSA-N 275.352 1.965 0 50 CDAA COc1ccccc1/C=C/C(=O)N1CCC[C@@H]1CN 237083770 OHPILIUEELZXPA-MMQHEFTJSA-N 260.337 1.658 0 50 CDAA CCO[C@@H](C)c1nc(CC(=O)N2CCN[C@H](C)C2)cs1 237032188 FOLLFDPJXWJEDQ-MNOVXSKESA-N 297.424 1.603 0 50 CDAA CCn1c(CN(C)C)nnc1C1CCN(C(C)=O)CC1 77505775 VIKISPZVTTVHSN-UHFFFAOYSA-N 279.388 1.086 0 50 CDAA NC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 237844446 CRFZZMRVAOSYSF-MRZGDXHCSA-N 287.363 1.139 0 50 CDAA CC[C@@H](NC(=O)CCCN1CCOCC1)c1nccs1 220397704 LEDUHIQIUGROEB-GFCCVEGCSA-N 297.424 1.823 0 50 CDAA Cc1cc(C)c(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)o1 334735646 RZRGPAMGBVCNAP-RYUDHWBXSA-N 297.376 1.688 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(c2ncc(Cl)cc2F)C1 284595395 QNDDRLQJLNGNCF-DTWKUNHWSA-N 260.696 1.460 0 50 CDAA CN1Cc2cc(NC(=O)c3cncn3C)ccc2NC1=O 335144715 ORQOPRSDPYGLFB-UHFFFAOYSA-N 285.307 1.650 0 50 CDAA CSCC[C@H](C)NC(=O)NC[C@@H]1CCC[C@H]1O 241653351 PUKWPAVKKJDCJS-GARJFASQSA-N 260.403 1.588 0 50 CDAA CCN(Cc1nccn1C)C(=O)COC[C@@H]1CCCCO1 220078889 YWNAATUPEPIHDQ-ZDUSSCGKSA-N 295.383 1.354 0 50 CDAA COCCN1CCN(Cc2ccc(C(=O)O)cc2)C[C@@H]1C 263571938 KCZBRZDRVAHJKE-ZDUSSCGKSA-N 292.379 1.537 0 50 CDAA CCOC(=O)N1CCN(Cc2cnc(SC)nc2)CC1 222314446 MLLQUACRAYBBJA-UHFFFAOYSA-N 296.396 1.473 0 50 CDAA C[C@H](C[S@](=O)C1CCCC1)CS(C)(=O)=O 161035370 XPCBJPMIYBYMOB-YMTOWFKASA-N 252.401 1.358 0 50 CDAA C[C@H]1Cc2cc(C(=O)NCCc3cnn[nH]3)ccc2O1 426489412 UVVDUSOQZNYGFE-VIFPVBQESA-N 272.308 1.101 0 50 CDAA Cc1ccc(C(=O)NC2(CO)CCCC2)cc1OCCN 426514907 SUZWCBCWDGTCBX-UHFFFAOYSA-N 292.379 1.367 0 50 CDAA Cc1ccn2c(C(=O)N3CCC(C)(C)[C@H]3C)nnc2n1 426473756 YNDAKGCVMRTOPV-SNVBAGLBSA-N 273.340 1.693 0 50 CDAA NC[C@H]1CCN(C(=O)NCc2cnc3ccccc3c2)C1 426651470 ZSHQLPMIVOKDQN-GFCCVEGCSA-N 284.363 1.725 0 50 CDAA Cc1cccc(N2CCC(CS(C)(=O)=O)CC2)n1 292275700 LWLLEDZRHLOYHB-UHFFFAOYSA-N 268.382 1.651 0 50 CDAA O=C(NCc1ccco1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 96684540 WTRRFIRMTKANAL-CYBMUJFWSA-N 299.330 1.340 0 50 CDAA CN(C)C(=O)c1nnc(-c2ccc3ncccc3c2)[nH]1 426513814 ZRUUGOIWOUVDNC-UHFFFAOYSA-N 267.292 1.722 0 50 CDAA COCC[C@@]1(CO)CCCN(c2nc(C)cc(C)n2)C1 91626223 HPPKPMFVXBSDQG-HNNXBMFYSA-N 279.384 1.709 0 50 CDAA Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cc[nH]c1 619293301 MUGCPJXUDQREOC-SMDDNHRTSA-N 288.351 1.646 0 50 CDAA COCCN(CCOC)c1nc2c(s1)c(C)nn2C 95501053 HNQKAIPEQGAZPN-UHFFFAOYSA-N 284.385 1.437 0 50 CDAA CCc1nc(CN2CCN(C(C)C)[C@@H](C)C2)n[nH]1 244708087 KNEGNHVHUUODTR-NSHDSACASA-N 251.378 1.282 0 50 CDAA CCN(CC)C(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 249987667 STUYIQXZQBYWLC-CDGCEXEKSA-N 290.363 1.052 0 50 CDAA CC1(C)CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CCS1 343091153 CMEFSOCUBVAOSS-GMTAPVOTSA-N 255.383 1.908 0 50 CDAA C[C@H](CN(C)C(=O)[C@H]1CSc2ccccc2O1)C(=O)O 299741977 ANRBDLBBNPPZSX-MWLCHTKSSA-N 295.360 1.719 0 50 CDAA Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCCO)cc1 184890047 ZCOCACMOFVUOKA-CABCVRRESA-N 297.420 1.662 0 50 CDAA CN1CCCN(CC[C@@H]2CC2(F)F)CC12CCNCC2 534667434 PDGFFNHGEQDFIX-CYBMUJFWSA-N 287.398 1.791 0 50 CDAA O=C(N[C@@H]1CCOC[C@@H]1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 629246228 SPCOHVYYAUKZDP-AHDPXTMNSA-N 281.396 1.859 0 50 CDAA O=c1ccc(CO)nn1CC[C@H]1CCc2ccccc21 629384359 QNIDKWBFPFEQPB-CYBMUJFWSA-N 270.332 1.856 0 50 CDAA CSCC[C@@H](O)C(=O)NCc1nc2cc(C)ccc2[nH]1 277059949 OPXFANMOWNNKGL-GFCCVEGCSA-N 293.392 1.602 0 50 CDAA C[C@@H](CCn1cccn1)NC(=O)CCCN1CCCC1=O 821783740 WGJOSPATPKHCSQ-ZDUSSCGKSA-N 292.383 1.181 0 50 CDAA O=c1c2cccc(F)c2ncn1CC1(CO)CCC1 584888231 GATCQEXRQUGHLO-UHFFFAOYSA-N 262.284 1.698 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@](O)(C[C@@H]2CO2)C1 669371854 BUVYZVITAFVIOT-MFKMUULPSA-N 257.330 1.537 0 50 CDAA O=C1C[C@H](c2ncnn2-c2cccnc2)CN1C1CCCC1 828248335 ZDHNVABNTGNWRO-LBPRGKRZSA-N 297.362 1.921 0 50 CDAA COCC1(C(=O)N2CC[C@@](O)(c3ccccc3)C2)CCC1 584888645 PQAVDHCJNHXVID-KRWDZBQOSA-N 289.375 1.923 0 50 CDAA O=C(N[C@H]1COC[C@@H]1O)C1c2ccccc2-c2ccccc21 584900634 GJCJUGZWSUCOGC-HOTGVXAUSA-N 295.338 1.675 0 50 CDAA Cc1nc(SCC(=O)N[C@@H](C)c2c(C)n[nH]c2C)n[nH]1 584902480 LFENTRWBWLAVLB-LURJTMIESA-N 294.384 1.423 0 50 CDAA C[C@@H]1NCC[C@@H](C)[C@H]1NC(=O)CCc1ccon1 585136700 PXCILHJJNGFJOY-GBIKHYSHSA-N 251.330 1.110 0 50 CDAA Cc1ncc(S(N)(=O)=O)cc1-c1nc(C(C)(C)C)no1 585136465 HKKRDNXKKJRJRR-UHFFFAOYSA-N 296.352 1.385 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)Cc1c(C)noc1C)CC2 670469732 NDJCLXIRRFBPIC-UHFFFAOYSA-N 274.324 1.450 0 50 CDAA CCOC(=O)N1CC[C@@H](NCCc2noc(C(C)C)n2)C1 670443393 NGGRMAZNYFCQTM-LLVKDONJSA-N 296.371 1.556 0 50 CDAA CN(CC(=O)NC1(C(N)=O)CCCCCC1)C1CCCC1 670454834 QMEOKXGXVMBKMY-UHFFFAOYSA-N 295.427 1.555 0 50 CDAA O=C(CCc1ccccn1)N[C@@H](CO)c1ccccc1 136009942 NQXRXKYONJRCDS-HNNXBMFYSA-N 270.332 1.864 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)CCCO1 42684291 AJQVXDQJBBKRTD-LBPRGKRZSA-N 279.292 1.499 0 50 CDAA in-vitro O=C(NCc1cccnc1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1440489854 JZEMBIWCKZDJLC-GUYCJALGSA-N 293.326 1.608 0 50 CDAA Cc1c(CNc2ccc3nnc(C)n3n2)cnn1C 270298775 PQZLPYOLXAFSIF-UHFFFAOYSA-N 257.301 1.087 0 50 CDAA CCc1nnsc1C(=O)N[C@@H](CC)[C@@H](O)C(F)(F)F 270834490 GPWNDXPMYAKRNM-POYBYMJQSA-N 297.302 1.532 0 50 CDAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1ccc(O)cc1 271683177 IWNBZBWUVFJAMA-LSDHHAIUSA-N 297.420 1.880 0 50 CDAA COc1ccc(NS(=O)(=O)N2CCC[C@H]2C)cn1 408287236 QWHNMNGMOAEYSQ-SECBINFHSA-N 271.342 1.231 0 50 CDAA CCOC(=O)[C@@H](CC)C(=O)N[C@@H]1CCOC(C)(C)C1 408521099 IJCHORSGMOEVNZ-MNOVXSKESA-N 271.357 1.650 0 50 CDAA CC(=O)NCCNC(=O)NCc1ccc(C2CCC2)cc1 277084650 MVXYRSRSTFJYMO-UHFFFAOYSA-N 289.379 1.889 0 50 CDAA CCS(=O)(=O)N(C)CCCNc1nc(C)cnc1C 273896727 UZGLANBRKJSQBN-UHFFFAOYSA-N 286.401 1.177 0 50 CDAA CCOC(=O)[C@@H](C)Sc1nccn2ccnc12 170600451 XIGNRWPMGDBAGO-MRVPVSSYSA-N 251.311 1.773 0 50 CDAA COc1cc(CN(C)[C@@H](C(=O)O)C2CC2)ccc1O 635016016 TWPYZUFATMUERQ-CYBMUJFWSA-N 265.309 1.696 0 50 CDAA CCN1[C@@H](C)CN(C(=O)CCc2ccncc2)C[C@H]1C 585130038 FZKICCXSDZVUEW-OKILXGFUSA-N 275.396 1.955 0 50 CDAA Cc1nnnn1CCCSc1cccc(O)c1 585118176 FVWQQUOYWOXVJM-UHFFFAOYSA-N 250.327 1.870 0 50 CDAA COc1ccsc1S(=O)(=O)NCc1ncc(C)cn1 585114516 GNHSIYVSTMTEFI-UHFFFAOYSA-N 299.377 1.334 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CCCN(C)C2)C[C@@H](C)C1=O 705935172 FLONKZIASWBBNJ-TUAOUCFPSA-N 252.358 1.012 0 50 CDAA Cc1noc(CN2CCCC[C@H](NCC(C)C)C2=O)n1 643737141 YEXCMPWXIPLTMB-LBPRGKRZSA-N 280.372 1.505 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnc(C)cn2)C1 644116832 BDUDRPYLCLGHSY-PWSUYJOCSA-N 287.323 1.110 0 50 CDAA CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cnns1 192350732 XQUPFJUIBRFHGG-VIFPVBQESA-N 269.374 1.342 0 50 CDAA CCN(C(=O)c1ccnn1CC(C)C)[C@@H](C)C(=O)O 663123614 DPKCZQBDHVBYQI-JTQLQIEISA-N 267.329 1.474 0 50 CDAA CN[C@@H]1CCCN(C(=O)COc2ccccc2F)C1 133673929 MAUHILAUUXISDZ-LLVKDONJSA-N 266.316 1.415 0 50 CDAA CCn1nnc2c(N3CCO[C@H](C(C)(C)C)C3)ncnc21 1614999665 YAPVCHYJEPAIOF-JTQLQIEISA-N 290.371 1.493 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)NCc1cccnc1 1615614462 HMZPBGBFRYQTRM-KRWDZBQOSA-N 297.358 1.507 0 50 CDAA CCS(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 262502 JFHQXMHIUOBWNM-UHFFFAOYSA-N 288.413 1.107 0 50 CDAA COC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 31653 NDJBDLAMBYGRQJ-UHFFFAOYSA-N 277.320 1.720 0 50 CDAA Cc1cc(C(=O)N(C)C[C@@H]2CCCCN2C)c(O)nc1C 1506400533 WFXCHLNUGNHSHR-ZDUSSCGKSA-N 291.395 1.960 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(C)CC3)n[nH]c21 1857529604 JFBILDAQERTWSH-BDAKNGLRSA-N 263.341 1.962 0 50 CDAA O=C(c1cnsc1)N1CCC[C@@H](Cn2ccnc2)C1 1857684889 JABZZZIIWSHAIQ-NSHDSACASA-N 276.365 1.892 0 50 CDAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cnccn3)C[C@H]2C1 1529113769 IJUUJOWXQVJOFB-KPWCQOOUSA-N 288.395 1.667 0 50 CDAA CCCN1CCCC[C@H]1C(=O)N1CC[C@@H](CNC)C1 408523353 RGTXIGOLOJSJPJ-KBPBESRZSA-N 267.417 1.319 0 50 CDAA Cc1cnc(N[C@H]2CCC[C@@H]2N(C)C)nc1N(C)C 1616097040 MMVSXTGKCLYUCU-RYUDHWBXSA-N 263.389 1.746 0 50 CDAA O=C(O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 457812 LAFAILDKFOBJFF-DHZHZOJOSA-N 295.360 1.784 0 50 CDAA CSCC(C)(C)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 241587811 OXHNNKONDPLXPN-SMDDNHRTSA-N 287.425 1.782 0 50 CDAA CC(C)(C)OC(=O)[C@H](N)COCc1ccccc1 141764108 WXESUKBIGWUKFU-GFCCVEGCSA-N 251.326 1.872 0 50 CDAA CC(=O)N(c1nnc(SC[C@H](C)O)s1)C1CC1 576092247 XKTDMKDSXKXDTA-LURJTMIESA-N 273.383 1.526 0 50 CDAA CC(C)CCO[C@H](C)C(=O)N1[C@H]2CCNC[C@H]1CC2 262275617 UULMLKURKTXKJQ-MGPQQGTHSA-N 268.401 1.791 0 50 CDAA C[C@@H]1C[C@@H]1c1ccc(CNCC2(CO)COC2)o1 123031608 PEIJVGOYSIYVOW-PWSUYJOCSA-N 251.326 1.502 0 50 CDAA Fc1ccc2c(c1)CCc1nnc([C@@H]3CCCNC3)n1-2 1772811989 DIZHXEFFBBZGTK-LLVKDONJSA-N 272.327 1.972 0 50 CDAA O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H]1C1(O)CC1 1772812682 OJJOJSORWATOTR-LBPRGKRZSA-N 261.325 1.417 0 50 CDAA COc1cc(F)c(CN2C[C@H]3[C@H](C2)C3(CO)CO)c(F)c1 1772817982 KUTIWVYRLJMIGT-RYUDHWBXSA-N 299.317 1.006 0 50 CDAA C[C@H](N)[C@@H](C)C(=O)Nc1cccnc1-n1cccn1 134156429 CTYNKHPWASYVRM-ZJUUUORDSA-N 259.313 1.189 0 50 CDAA C[C@@H](O)CN1CCC(CN(C)C[C@H]2CCCCO2)CC1 247014784 CIABAOWNNOOJIL-GDBMZVCRSA-N 284.444 1.580 0 50 CDAA CN1CCCC[C@@H]1C(=O)NCc1cccnc1-n1ccnc1 11819173 FABUJICTSTXQHT-CQSZACIVSA-N 299.378 1.368 0 50 CDAA COC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C 12848522 HMCVGZOVXOKIPT-UHFFFAOYSA-N 294.332 1.031 0 50 CDAA CCc1noc(C)c1C(=O)Nc1nnc(C)s1 13330521 VNXZUNNEVZTXAF-UHFFFAOYSA-N 252.299 1.958 0 50 CDAA CCCNC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 13679844 ZSLDNPORISFASB-UHFFFAOYSA-N 284.381 1.612 0 50 CDAA COCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14398489 LKSALMMYRDCRNQ-SECBINFHSA-N 257.717 1.870 0 50 CDAA CC(=O)N1CCc2cc(N)cc(Br)c21 16678020 DSPOGIZSYHNAPN-UHFFFAOYSA-N 255.115 1.940 0 50 CDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCCC1=CCCCC1 169368002 HGLQREXPUNVVBE-MQYQWHSLSA-N 293.363 1.871 0 50 CDAA O=C(C1CCN(C2CCCCC2)CC1)N1C[C@H](O)CO1 1857691984 JKTJNRNEDXCCAM-AWEZNQCLSA-N 282.384 1.166 0 50 CDAA Cc1cc(-c2nccn2-c2c(C)nn(CCO)c2C)on1 1857693427 WMVOKLPREDIBMI-UHFFFAOYSA-N 287.323 1.641 0 50 CDAA Cn1c(=NC(=O)[C@@H]2CCCC(=O)N2)sc2ccccc21 606442424 OWIARKQBGXOVAT-VIFPVBQESA-N 289.360 1.336 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CO)C(=O)OCc1ccccc1 2571886 BQADRZHPZVQGCW-GFCCVEGCSA-N 295.335 1.615 0 50 CDAA in-vitro O=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccncc1 229024594 LSARYZMCOBBKMY-WOPDTQHZSA-N 260.293 1.407 0 50 CDAA CC1(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CNC1 333866432 TUYGHOZIHMVEMF-LLVKDONJSA-N 280.755 1.889 0 50 CDAA Cc1nc2ccc(N3CCC[C@@H]3C(C)(C)O)nn2n1 252492318 MIOWIPFYWKHUCH-SNVBAGLBSA-N 261.329 1.172 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)CN1CCCC1 386347389 AVXSWYMVIPYYFX-XGUBFFRZSA-N 296.411 1.161 0 50 CDAA O=C(Cc1coc2ccccc12)N1CCOC[C@@H]1CCO 802915403 ZKFHLOFEJKHDSA-ZDUSSCGKSA-N 289.331 1.585 0 50 CDAA OC1(CNC[C@H]2CCC3(CCOCC3)O2)CCC1 905593255 DSALMWRLEHJQPV-GFCCVEGCSA-N 255.358 1.219 0 50 CDAA CO[C@@H](C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)C1CC1 906255071 INRCSQHVZFHEQH-CYBMUJFWSA-N 296.273 1.675 0 50 CDAA Cc1nocc1S(=O)(=O)N1CCC[C@@H]1c1ncccn1 907334852 IGCHZZVALOWQTG-SNVBAGLBSA-N 294.336 1.299 0 50 CDAA O=C(Nc1nc2c(s1)CC[C@H](C(=O)O)C2)C1CC1 910677666 AIUIUMQTSLYAAB-ZETCQYMHSA-N 266.322 1.681 0 50 CDAA CC1(NS(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 1259362023 MRVLOSOBWVDRPP-UHFFFAOYSA-N 277.349 1.703 0 50 CDAA CC(C)CN(Cc1ccccn1)C(=O)Nc1cnnn1C 931276927 LMSYTPCWTFDZQP-UHFFFAOYSA-N 288.355 1.900 0 50 CDAA C/C=C(\CC)C(=O)NS(=O)(=O)c1cnn(C(C)C)c1 835827315 KFJPBCNVFPGFDJ-BJMVGYQFSA-N 285.369 1.625 0 50 CDAA OC[C@@H]1CCN(Cc2ccc3cc(O)ccc3c2)C[C@@H]1O 1139337093 IYJTWRFMFVRLHP-RDJZCZTQSA-N 287.359 1.721 0 50 CDAA Cc1ncsc1CN(C)[C@H]1C(=O)CC[C@]1(C)O 952880131 JCUFZCYBNSBTRC-RYUDHWBXSA-N 254.355 1.366 0 50 CDAA COc1ccc(C(=O)N2CCC[C@H]2c2nnc(C)o2)nc1 1875299139 AKLYYLFYOURUJB-LBPRGKRZSA-N 288.307 1.759 0 50 CDAA c1cc2c(=N[C@H]3CCN(CC4CCCC4)C3)[nH]ccn2n1 1875271947 TZOKDKUOFPXVFQ-AWEZNQCLSA-N 285.395 1.828 0 50 CDAA C[C@@H](OC(=O)[C@H]1CCCc2c[nH]nc21)C(=O)NC1CC1 1875253761 GKDDRDOTGYVROP-KCJUWKMLSA-N 277.324 1.040 0 50 CDAA CC1(C)[C@@H](C(=O)N[C@H]2CCOC2)CC[C@@]1(C)C(=O)O 1875340918 ZFBAHZORXJJHDZ-RBZYPMLTSA-N 269.341 1.419 0 50 CDAA C=CS(=O)(=O)CCN1Cc2ccccc2OC[C@@H]1C 1875367264 KERBXOQTHMOJTD-LBPRGKRZSA-N 281.377 1.828 0 50 CDAA C[C@H]1C(=O)N[C@H](c2ccccc2Br)C(=O)N1C 1875340310 VKVLHQXIIPBJPJ-OIBJUYFYSA-N 297.152 1.467 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 1875311633 IAHJXVFPSQNZQS-BMIUZSSQSA-N 291.347 1.387 0 50 CDAA Nc1ccc(CNC(=O)C2(Nc3ccccc3)CC2)cn1 1775992109 JILLJHBNOYYKEC-UHFFFAOYSA-N 282.347 1.925 0 50 CDAA Cc1cc(Cl)ccc1CN1CCN2C(=O)NC[C@H]2C1 136219018 WLNMXNCDKWDIHJ-ZDUSSCGKSA-N 279.771 1.858 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)CCc3cccs3)C[C@H]12 252587585 ZIGZRERIIHCQSD-WCFLWFBJSA-N 264.394 1.876 0 50 CDAA N[C@H](C(=O)N1CC[C@@H]2OCCC[C@H]2C1)c1ccccc1 252586073 NGQVWZPTWQUYRU-KKUMJFAQSA-N 274.364 1.714 0 50 CDAA C[C@H](C(=O)O)N(C(=O)[C@@H]1Cc2ccccc21)C1CC1 262193763 RIFKWZSSEDYBSB-NOZJJQNGSA-N 259.305 1.790 0 50 CDAA C[C@H](CC(=O)N1CCC(O)(CN)CC1)c1ccccc1 572402592 YDJGRMDNNOKHIT-CYBMUJFWSA-N 276.380 1.492 0 50 CDAA CC(C)N(C)C[C@@H](O)CN[C@@H](C)[C@@H]1CCCOC1 388931235 QNBXZNXFHBQBFT-MJBXVCDLSA-N 258.406 1.092 0 50 CDAA CC(C)c1nccc(NC2CCS(=O)(=O)CC2)n1 892805122 DXHXMNPRSOLSRJ-UHFFFAOYSA-N 269.370 1.589 0 50 CDAA CO[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1O 396029741 VRYJCTSQCFHNGI-VXGBXAGGSA-N 252.701 1.408 0 50 CDAA CN(C)Cc1ccoc1C(=O)N1CCCC[C@@H](CO)C1 2325795003 ZJAUXCSPTVSNQU-GFCCVEGCSA-N 280.368 1.576 0 50 CDAA CN1C[C@@H](C(=O)N[C@]2(C)CCC(C)(C)C2)CC1=O 2325810515 ORPBAPLEAMVCHH-IINYFYTJSA-N 252.358 1.550 0 50 CDAA C/C=C/C[C@H](C)C(=O)N1CC[C@@H](c2nc(=O)o[nH]2)C1 2325821839 FQQBOZUKSUQGSJ-FCVPOFOPSA-N 265.313 1.281 0 50 CDAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCCC1 38968 IEZQQXKEPXTSJZ-UHFFFAOYSA-N 283.349 1.632 0 50 CDAA CN(C1=NC(=O)[C@@H](CC(=O)O)S1)c1ccc(O)cc1 142258 PHBRSGZUWIRFFP-SECBINFHSA-N 280.305 1.301 0 50 CDAA [O-][n+]1onc2c1CCc1c-2nc(-c2ccccc2F)n1O 300131 GLPOKTNAZYPFGV-UHFFFAOYSA-N 288.238 1.314 0 50 CDAA O=C(OCCn1cnc2ccccc2c1=O)c1cccnc1 389069 LXQDBOHWODIKLW-UHFFFAOYSA-N 295.298 1.649 0 50 CDAA biogenic COc1ccc(NC(=O)[C@@H]2CC(=O)OC2(C)C)cc1 468214 OHOOHLMFZCPPEP-NSHDSACASA-N 263.293 1.975 0 50 CDAA CCSc1nnc(NC(=O)[C@@H]2CCCO2)s1 476327 IOQBRKUJCFQTHV-LURJTMIESA-N 259.356 1.768 0 50 CDAA Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 480373 QBSDHEWYPUBPOP-UHFFFAOYSA-N 270.288 1.928 0 50 CDAA CCn1nnc(NC(=O)COc2ccc(C)c(C)c2)n1 557826 PAZZSTZUZGMUBQ-UHFFFAOYSA-N 275.312 1.327 0 50 CDAA Cc1ccc(S(=O)(=O)NN=c2cccccc2)cc1 1557364 QTAUOJDSHRYRMF-UHFFFAOYSA-N 274.345 1.789 0 50 CDAA Cc1nonc1[C@@H]1CCCN1C(=O)c1cccc2ncnn12 2356137725 XCLDOWIOAASBEC-JTQLQIEISA-N 298.306 1.398 0 50 CDAA Cc1ccc(CNC(=S)NCCN(C)C)cc1 2853981 OVYAMHVRQUWWTE-UHFFFAOYSA-N 251.399 1.521 0 50 CDAA Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2)c1 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WOKFCTUWZUZIRT-QMMMGPOBSA-N 273.340 1.915 0 50 CDAA CCC(=O)N[C@H](C)C(=O)Nc1cnc2n1CCCC2 67909664 NKPPDICEQLTFBV-SECBINFHSA-N 264.329 1.073 0 50 CDAA CCn1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)n1 1550343578 LLFVUAXKDWOIBY-TZMCWYRMSA-N 299.330 1.946 0 50 CDAA COc1ccncc1NC(=O)c1cnn2ccccc12 346802092 STOXFLRJUCSNIT-UHFFFAOYSA-N 268.276 1.990 0 50 CDAA N[C@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@H]2CC(O)C3)C1 250652481 MRDGSDLNNXSALK-BJDJZHNGSA-N 252.358 1.018 0 50 CDAA c1ccc(Cn2cc(CN3CCOCC3)cn2)cc1 20858212 QQURJWVMIUDYMN-UHFFFAOYSA-N 257.337 1.764 0 50 CDAA Cc1cc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccn1 119305675 ZJRZXZJMWPCKSR-NSHDSACASA-N 283.353 1.041 0 50 CDAA Cc1cc2c(c(-c3ncccc3C(N)=O)c1)O[C@H](CN)C2 67688499 XSOIRTZRTPLJKA-NSHDSACASA-N 283.331 1.418 0 50 CDAA COC(=O)c1nc(Br)cn2ccnc12 66322888 MDEIINGCHGEFBF-UHFFFAOYSA-N 256.059 1.278 0 50 CDAA CCc1cc(N[C@@H]2CCCCNC2=O)n2nccc2n1 72150603 FJSGVWIOQIGWID-LLVKDONJSA-N 273.340 1.372 0 50 CDAA Cc1nnc(Cn2cncc(-c3ccccc3)c2=O)o1 252496647 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CCCn1ccnc1CN1CCC[C@@](O)(CN(C)C)CC1 72144888 XWRIMQIRYIMFAM-INIZCTEOSA-N 294.443 1.572 0 50 CDAA Cc1cc(F)ccc1C(=O)NCC(C)(C)C(=O)O 126934058 JVYSONNVMBHRFL-UHFFFAOYSA-N 253.273 1.975 0 50 CDAA Cc1c[nH]nc1CNC[C@]1(N2CCOCC2)CCSC1 368688307 OLNYNPXWZIQRJI-CQSZACIVSA-N 296.440 1.016 0 50 CDAA CC(C)OC[C@H](O)CN1C[C@H](C)O[C@@]2(CCCOC2)C1 376129397 IFSLIHRACPDKFF-ZNMIVQPWSA-N 287.400 1.042 0 50 CDAA CCn1cc(C(=O)N2CCC(C(=O)O)CC2)c(C(C)C)n1 237230687 HGHISWKIZXDTOD-UHFFFAOYSA-N 293.367 1.963 0 50 CDAA Cn1c(C(=O)N2C[C@@H](F)C[C@H]2CO)cc(Cl)c1Cl 372505970 OBVFGRJLYAQLIO-BQBZGAKWSA-N 295.141 1.877 0 50 CDAA CC(C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 72115927 PVRIXCJJLGGIRX-UHFFFAOYSA-N 270.354 1.677 0 50 CDAA CCCn1cc(C(=O)N2CCNC[C@](C)(F)C2)cn1 335007443 DDEGCTHKNLPOHW-ZDUSSCGKSA-N 268.336 1.067 0 50 CDAA CCC(=O)N1CCN(C(=O)c2cc(C)ccc2F)C1 335621224 HSJNJZFNPUTUMM-UHFFFAOYSA-N 264.300 1.786 0 50 CDAA O=S(=O)(NC1CCCC1)C1CN(C2CCCC2)C1 335754919 SPGOAVAMFFWDTM-UHFFFAOYSA-N 272.414 1.475 0 50 CDAA CC(C)[C@@H]1CN(CC(=O)N(C)C)CCCN1CC1CC1 71730515 HZZZADFOWORUDQ-HNNXBMFYSA-N 281.444 1.517 0 50 CDAA O=C(CCC(F)(F)F)NCc1noc(C2CC2)n1 220019044 AFRNQZQKDHFQPL-UHFFFAOYSA-N 263.219 1.906 0 50 CDAA CSCc1ccc(C(=O)NCCCn2ccnn2)o1 223091839 SZDRSNDTMMBUQW-UHFFFAOYSA-N 280.353 1.554 0 50 CDAA CCOCCC(=O)N1CCCN(c2ccncc2C)CC1 82109390 IEZRKKRIGZKWEV-UHFFFAOYSA-N 291.395 1.855 0 50 CDAA C[C@@H](CNC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)O 190964902 SZLHIXQRYUTSQK-ZETCQYMHSA-N 294.282 1.161 0 50 CDAA CC(C)c1[nH]ccc1C(=O)N(C)CC1(O)CCOCC1 286758311 KLRCXIJLEBFKNL-UHFFFAOYSA-N 280.368 1.752 0 50 CDAA C[C@H](NC(=O)N1CCCC1)c1nc(-c2ccncc2)no1 426473771 ZRRNIRWGGQRBDJ-JTQLQIEISA-N 287.323 1.998 0 50 CDAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c(C)c1 229784300 XCJIHYAZJOHNIN-MQYQWHSLSA-N 269.300 1.746 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCC(O)(c2cccnc2)CC1 426541193 CIZHPZDXCFFYLB-ZDUSSCGKSA-N 290.363 1.318 0 50 CDAA CC[C@@H](NC(=O)CCc1cccc(O)c1)C1CC(O)C1 222938209 KEVPEYDYIGQNAR-PESDSKBTSA-N 277.364 1.991 0 50 CDAA CCc1nccn1CCCNC(=O)C[C@@H]1CCOC1 426432057 TVNNQDKLCDBMIL-LBPRGKRZSA-N 265.357 1.378 0 50 CDAA Cc1cnc2c(-c3nc([C@@H]4CCOC4)no3)cnn2c1 96151290 FBLOKYFVUDKDGH-SECBINFHSA-N 271.280 1.592 0 50 CDAA CNC(=O)Nc1ccc(-c2ccc(C(N)=O)o2)cc1 96162818 JJVDAFVEUQQQEO-UHFFFAOYSA-N 259.265 1.797 0 50 CDAA CCN1CCN(Cc2nc(C)nn2Cc2ccccc2)CC1 95526173 NBJNFQRGYNCHSB-UHFFFAOYSA-N 299.422 1.772 0 50 CDAA CC(C)N1CCC(C(=O)N[C@H](C)Cc2cnccn2)CC1 95387007 ZPVDHBVJIJKIEK-CYBMUJFWSA-N 290.411 1.644 0 50 CDAA N=c1nc(N2CCOCC2)cc(-c2cccc3ccnn23)[nH]1 426517960 QFZVNNQHUMAEKX-UHFFFAOYSA-N 296.334 1.040 0 50 CDAA O=C(c1cccnn1)N1CCC[C@H](OCc2cccnc2)C1 91665880 QEUSONDGUFDYHD-AWEZNQCLSA-N 298.346 1.693 0 50 CDAA Cc1cc(C)c(C(=O)N[C@@H]2CCNC(=O)CC2)o1 616358672 TZECVRFGHILFIR-JTQLQIEISA-N 250.298 1.295 0 50 CDAA O=C1[C@H]2[C@@H]3[C@H]4C[C@H]2[C@@H](O)[C@H]4O[C@H]3N1c1ccccc1 238950608 YYCZYYFGCLAYJS-HTXOZCRQSA-N 257.289 1.001 0 50 CDAA CO[C@@H](C)c1nc(C)c(C(=O)N(C)[C@H]2CCNC2)s1 179095206 DEXPCHCGWXVCFY-UWVGGRQHSA-N 283.397 1.593 0 50 CDAA CC[C@@H](c1nc(-c2cccnn2)no1)n1cccn1 95504018 HWWGZLCHKWJXGH-JTQLQIEISA-N 256.269 1.723 0 50 CDAA C[C@@H]1CN(C(=O)CCc2cn3ccccc3n2)C[C@]1(C)O 91997541 PWRGXIVDDQBOBB-WBMJQRKESA-N 287.363 1.496 0 50 CDAA C[C@@H]1CN(C(=O)c2ncc(F)cc2F)CC[C@]1(C)O 91906944 JIOXBKNNLAACQU-OQPBUACISA-N 270.279 1.593 0 50 CDAA C[C@@H](O)[C@H]1CCCN1C(=O)c1ccnc(-c2ncc[nH]2)c1 618926678 SYZJGHCTQJDWAH-ZWNOBZJWSA-N 286.335 1.457 0 50 CDAA C[C@]12O[C@@]3(C(F)(F)C(=O)O)[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12 254626719 ATJTZLAAUJOPGP-QTMOBWPZSA-N 268.259 1.622 0 50 CDAA CN(Cc1ccoc1)C(=O)NCc1noc(C2CC2)n1 343159356 YSCQDXIOTDNQEB-UHFFFAOYSA-N 276.296 1.882 0 50 CDAA CCn1cc([C@@H](C)NC(=O)c2cncc(F)c2)cn1 297174372 NNYDRZGDEGBZEA-SECBINFHSA-N 262.288 1.928 0 50 CDAA C[C@@H]1Nc2nc(N)nc(O)c2N(C(=O)c2ccccc2)[C@@H]1C 253536325 SRBMRRQGJUYQAT-DTWKUNHWSA-N 299.334 1.614 0 50 CDAA C[C@@H]1CCCN(C(=O)CC[C@H]2CCCOC2)[C@H]1CN 299738733 FSJVGQNNRVVCND-MCIONIFRSA-N 268.401 1.779 0 50 CDAA CCc1nc(C)c(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)o1 534647342 XIVNNSXWKJNEER-NXEZZACHSA-N 277.324 1.095 0 50 CDAA Cn1ccnc1[C@H](NC(=O)c1cnn2ccn(C)c12)C1CC1 534648264 DDYQWLVWPGEQOI-GFCCVEGCSA-N 298.350 1.287 0 50 CDAA CCn1cc(NC(=O)N2CCC[C@H]2Cn2cccn2)nn1 299792441 FOQWLBCZHWQTST-NSHDSACASA-N 289.343 1.191 0 50 CDAA Cn1cnc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)c1 299800265 XLGIBIKTFXABFP-LBPRGKRZSA-N 276.384 1.557 0 50 CDAA CNCc1nnc(Sc2nc(C)cnc2C)n1C 824052463 RUZBKRGZPNFAEC-UHFFFAOYSA-N 264.358 1.093 0 50 CDAA CC(C)Cn1nc(C(=O)N(C)C)c2c1CC[C@H](O)C2 821508316 CMSMURWRKSESIE-JTQLQIEISA-N 265.357 1.091 0 50 CDAA COCCn1cncc1CNC(=O)c1cc(Cl)cn1C 584885906 BNRDDBMQJAHGAB-UHFFFAOYSA-N 296.758 1.451 0 50 CDAA Cc1noc(C)c1CNC(=O)N1CC(c2ccncc2)C1 584892875 DSJSEXOHFAZOHJ-UHFFFAOYSA-N 286.335 1.995 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@]1(C)CCCNC1)C2 584900428 NAYKBWVXPGZLDU-JLNYLFASSA-N 266.385 1.260 0 50 CDAA CN(C)CC1(CO)CCN(C(=O)[C@H]2CC23CCC3)CC1 670468333 SBOSQKQLHXUHKK-CYBMUJFWSA-N 280.412 1.339 0 50 CDAA O=C(CCN1CCCCC1=O)NCCCC[C@@H]1CCCO1 670455916 BBIMLFHBTCDFGT-CQSZACIVSA-N 296.411 1.855 0 50 CDAA O=C(Nc1ccnnc1)N[C@H]1COc2ccccc2[C@H]1O 1365914678 DLDKHCATKMBDPF-WCQYABFASA-N 286.291 1.093 0 50 CDAA CCc1ncc(S(=O)(=O)N(C)Cc2cscn2)[nH]1 70422482 CTYFOLNZNJTJOK-UHFFFAOYSA-N 286.382 1.249 0 50 CDAA Cc1cccc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)n1 408398791 XWKYTHQDCZCOAA-MLCYQJTMSA-N 266.366 1.231 0 50 CDAA CC(C)C[C@H](CN)CC(=O)O[C@H](C)C(=O)N(C)C 408525610 ILYOJPGRQNOBPR-MNOVXSKESA-N 258.362 1.017 0 50 CDAA NC(=O)c1ccc(C(=O)NCc2n[nH]c3c2CCCC3)cc1 408524131 YGUBDNPMPODSFW-UHFFFAOYSA-N 298.346 1.317 0 50 CDAA C[C@@H](NC(=O)c1ccc2ccccc2n1)c1nnnn1C 170090416 GTAMAIKAAUABRB-SECBINFHSA-N 282.307 1.249 0 50 CDAA CSC[C@H](C)NC(=O)Cn1cnc2ccccc21 170633225 HZXPUDJVDSJSCC-JTQLQIEISA-N 263.366 1.904 0 50 CDAA Cn1cnc(N2CCC[C@H]2c2cccnc2)cc1=O 583093510 KJQCVCQVLMIQDI-LBPRGKRZSA-N 256.309 1.517 0 50 CDAA CO[C@@H]1CN[C@H](C(=O)NCC(C)(C)c2ccccc2F)C1 583617649 WYBZHWNSGVNIIL-FZMZJTMJSA-N 294.370 1.596 0 50 CDAA Cc1cc(CNC(=O)Cn2ccc(C(F)(F)F)n2)ncn1 677462242 JYTJKICWPIECTC-UHFFFAOYSA-N 299.256 1.317 0 50 CDAA CC(=O)C1(C(=O)N2CC[C@H](c3nccn3C)C2)CC1 560337768 NQIWGCKLVXWKIG-NSHDSACASA-N 261.325 1.105 0 50 CDAA CCC1(CC)[C@H](NC(=O)c2csc(CO)n2)C[C@H]1OC 585135384 GORJPBZGLRZDSL-GHMZBOCLSA-N 298.408 1.959 0 50 CDAA O=C(NCc1cscn1)c1ccn(CC(F)F)n1 193954394 YCCHHYCEALOTPS-UHFFFAOYSA-N 272.280 1.535 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2cccc(C(=O)O)c2)CCN1 650788682 SQRUJLZFSGVJHB-CYBMUJFWSA-N 276.336 1.455 0 50 CDAA COCCn1cnnc1CN(C)Cc1cccs1 1506396849 HIKNHJVAKUPFFF-UHFFFAOYSA-N 266.370 1.618 0 50 CDAA C[C@H]1CC[C@H](C(=O)N(CCO)Cc2ncc[nH]2)CC1 1704325949 PNQZNHWUSNLFGZ-HAQNSBGRSA-N 265.357 1.557 0 50 CDAA CC(C)NC(=O)CN(C)c1cncc(Br)c1 157367589 LZIXWHKPOLWOAY-UHFFFAOYSA-N 286.173 1.805 0 50 CDAA CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O 16697880 WCTXJAXKORIYNA-SECBINFHSA-N 271.313 1.376 0 50 CDAA in-vitro CCO[C@H](C)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 262445203 ONZYXKKOJBUXDX-NXEZZACHSA-N 255.314 1.125 0 50 CDAA CC(C)c1noc(CN(C)C[C@@H]2CCC(=O)N(C)C2)n1 1775984105 HRHWAZOMJCPXQG-NSHDSACASA-N 280.372 1.493 0 50 CDAA CC[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1cccc(C)c1 1772810244 DXXOAWKNUGTUAU-STQMWFEESA-N 283.393 1.919 0 50 CDAA COc1ccc(OC)c(CNc2nnc(CN(C)C)o2)c1 1772701157 CIKNMWKRNYHIOA-UHFFFAOYSA-N 292.339 1.761 0 50 CDAA O=[S@](C[C@H](O)COc1ccccc1)c1ccccn1 5331875 FCGXGFOTUNMYBH-BLVKFPJESA-N 277.345 1.629 0 50 CDAA CCN1CCCC[C@@H]1C(=O)NCc1cccnc1N(C)C 19147963 OSJDPBSAWVMZTQ-CQSZACIVSA-N 290.411 1.638 0 50 CDAA O=C(Cc1ccccc1)NCCCN1CCOCC1 19855666 YNTXQDVBFUMNFH-UHFFFAOYSA-N 262.353 1.068 0 50 CDAA CCN(Cc1cn(C)c(C)n1)C[C@H](O)c1cccc(O)c1 1857689917 OPOSHNZHQUPBIG-INIZCTEOSA-N 289.379 1.990 0 50 CDAA O=C(COc1ccc(F)cc1)N1C[C@H]2[C@@H](O)C[C@H]2C1 1857691073 YLNSLUUYQWTRBJ-BIMULSAOSA-N 265.284 1.044 0 50 CDAA COCc1cc(NC(=O)N2CCC[C@@](C)(O)CC2)ncn1 408263113 RSQZRBYDJMZTGE-CQSZACIVSA-N 294.355 1.392 0 50 CDAA FC(F)(F)c1cn2c(n1)CC[C@@H](CN[C@H]1CCOC1)C2 328629886 ISWDLTVUVAMRBM-UWVGGRQHSA-N 289.301 1.843 0 50 CDAA Cc1ccccc1OCCNC(=O)N1C[C@@H](F)C[C@H]1CO 346749424 MNNRYEFESAXLMI-STQMWFEESA-N 296.342 1.488 0 50 CDAA O=C(COc1ccc(Cl)c(F)c1)N[C@@H]1[C@H]2COC[C@H]21 352428513 QVXQWKKMQLTQAB-WOFXILAISA-N 285.702 1.619 0 50 CDAA Cn1nc(C(=O)N[C@@H]2CCCn3ncnc32)cc1C1CC1 674521415 LWCOJJUFLQTRAY-SNVBAGLBSA-N 286.339 1.154 0 50 CDAA CO[C@@H]1CCCCC[C@@H]1NC(=O)N1CC[C@@H]([C@H](C)O)C1 252486968 PWVLZYPDTUCPLU-RFQIPJPRSA-N 284.400 1.746 0 50 CDAA Cc1cccc([C@@H](NC(=O)c2ccnn2C)C(=O)O)c1C 263002950 KXJDRUDZPKMGBN-CYBMUJFWSA-N 287.319 1.593 0 50 CDAA C[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)CC[C@H]1C(=O)O 902167220 BUOLHJAGKIZJLY-GXSJLCMTSA-N 289.335 1.537 0 50 CDAA CCc1nc(Cn2cc([C@@H](O)c3ccccc3)cn2)no1 902852395 SGGGBVLMULCMMH-HNNXBMFYSA-N 284.319 1.959 0 50 CDAA COC(C)(C)[C@H](C)NC(=O)N[C@@H]1CCc2nc(C)nn2C1 916377836 KUXWIJROHABQPI-GXSJLCMTSA-N 295.387 1.014 0 50 CDAA CN1CCn2ncc(CN[C@@H]3CC(C)(C)OC3(C)C)c2C1 952889689 JUEVSMHKBQFTAC-CQSZACIVSA-N 292.427 1.764 0 50 CDAA CCc1cc(C)c(C(=O)N2CC[C@@H](Cc3nn[nH]n3)C2)o1 1875286119 MEAKHMGVVLKLSE-JTQLQIEISA-N 289.339 1.368 0 50 CDAA O=C(Nc1ccc2c(c1)C[C@@H](O)C2)c1ncccc1O 1875265465 BDDMLRWELMMGDK-LBPRGKRZSA-N 270.288 1.499 0 50 CDAA COC(=O)[C@@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 1875315150 JTTARKNSICFFCW-VIFPVBQESA-N 273.329 1.574 0 50 CDAA CC1(C)C[C@@H](NC(=O)/C=C/CN2CCCC2)CCO1 1875338116 NYAARMKORZABNT-GFUIURDCSA-N 266.385 1.712 0 50 CDAA Fc1ccc(-c2noc(CN3CCNCC3)n2)cc1 37389312 RQCZCAFWHDMFIA-UHFFFAOYSA-N 262.288 1.281 0 50 CDAA in-vitro O=C(c1coc2c1[C@H](O)CCC2)N1CC[C@@H](F)C1 1775999085 NQNYGQCLDLNASH-PSASIEDQSA-N 253.273 1.833 0 50 CDAA CC(C)n1cnnc1CN(C)C[C@H]1CCCN1C 252502610 UROYRUUVFRFIIX-GFCCVEGCSA-N 251.378 1.385 0 50 CDAA Cc1[nH]ncc1C(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 299740877 BXFJFTYCFOLNLR-HTQZYQBOSA-N 291.229 1.053 0 50 CDAA C=CC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 404184076 ACFWICWWQPPDNO-HZPDHXFCSA-N 286.375 1.674 0 50 CDAA C[C@H](NCc1cnc(N(C)C)n1C)c1cnn(C)c1 330365736 QLOGZLUKGACKRO-JTQLQIEISA-N 262.361 1.070 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1scnc1C 643853371 YSXHBYFFQSVOEV-GFCCVEGCSA-N 284.337 1.157 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)/C=C/C(C)(C)N)C12CCC2 1875279343 TUAWGIKXFWOALS-DBWQMSJVSA-N 252.358 1.354 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)c1cnc2nccn2c1 2325760773 YGSGIPGIAZCZBL-UHFFFAOYSA-N 286.320 1.132 0 50 CDAA C[C@H]1CC[C@H]2CN=C(N[C@@H](C)c3ccn(C)n3)N2C1 2325806843 KHBQEKXVJALPPL-SRVKXCTJSA-N 261.373 1.541 0 50 CDAA Cn1cc(NC(=O)NC[C@@H]2C[C@H]2C(F)(F)F)nn1 931507745 BPZSDMGVVYYSKD-NTSWFWBYSA-N 263.223 1.135 0 50 CDAA C[C@H]1CN(c2ccccc2F)CCN1C(=O)[C@H]1CCOC1 248956105 AMUIKGRFNLAEFX-STQMWFEESA-N 292.354 1.899 0 50 CDAA COc1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1 52834 NWPAXMXJJARHNG-LLVKDONJSA-N 280.349 1.255 0 50 CDAA O=C(NC[C@H]1CCCO1)c1nn2cccnc2c1Cl 1069957 ZBEYAOBLGIWZMD-MRVPVSSYSA-N 280.715 1.292 0 50 CDAA COc1ccccc1N(C(C)=O)[C@H]1C=CS(=O)(=O)C1 1236231 GIHHAEKBSZAURW-NSHDSACASA-N 281.333 1.359 0 50 CDAA Cc1ccccc1CNC(=O)C(=O)NCCCOC(C)C 2872172 IUCRMWFXJCSRDA-UHFFFAOYSA-N 292.379 1.543 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)c2cc(C(C)C)[nH]c(=N)n2)CC1 2356162895 SIEJMXYJJUNDGY-XYPYZODXSA-N 292.383 1.700 0 50 CDAA COC(=O)c1cc2c(OC)c(OC)c(OC)cc2[nH]1 4235067 VGRVYVYBENLQJG-UHFFFAOYSA-N 265.265 1.980 0 50 CDAA O=C1OCc2ccc(I)cc21 4294168 GDWUNKJJSAKJSC-UHFFFAOYSA-N 260.030 1.962 0 50 CDAA Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n[nH]1 6688462 XFZNEDWJDKFJEL-UHFFFAOYSA-N 273.292 1.719 0 50 CDAA CCCNC(=O)[C@H]1CC(c2ccc(OC)cc2)=NO1 6738251 IAGOMHYJICPHSO-CYBMUJFWSA-N 262.309 1.714 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)NCc1cccnc1 6793199 KEATUODAEKNVQA-UHFFFAOYSA-N 292.360 1.877 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ncc[nH]2)C1 111205406 GQMXRGSNBZTNMR-LLVKDONJSA-N 280.372 1.899 0 50 CDAA Cc1cccc(CS(=O)(=O)c2nsc(N)n2)c1 9142746 SIISMHPMNKSIQR-UHFFFAOYSA-N 269.351 1.403 0 50 CDAA CN1CCN2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2C1=O 106267548 NDHAAHMGLHDCAU-INIZCTEOSA-N 298.390 1.126 0 50 CDAA CCNc1ccnc(NCc2cn3nc(C)sc3n2)n1 65466307 UYMRXOFYZRQXDK-UHFFFAOYSA-N 289.368 1.933 0 50 CDAA CCOC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12 71209 VXYIKAFMGVOZCI-UHFFFAOYSA-N 277.276 1.782 0 50 CDAA biogenic COc1ccc(COCC(=O)NCc2cnoc2C)cc1 1363702919 BUOZERSESAYQTQ-UHFFFAOYSA-N 290.319 1.825 0 50 CDAA C[C@@H](c1ccon1)N(C)C(=O)CCN1CCCCCC1=O 214964409 FUMWTOBTQXMXEB-LBPRGKRZSA-N 293.367 1.987 0 50 CDAA Cc1ccc(CN2CCO[C@H](c3nncn3C)C2)o1 328631722 KUHCCPWGKDVOII-LBPRGKRZSA-N 262.313 1.290 0 50 CDAA Cc1nn(C)c2ncc(N[C@@H](C)CC(=O)N(C)C)cc12 128220667 KEGLHDYEFPOAEL-VIFPVBQESA-N 275.356 1.555 0 50 CDAA CCN1CCN(C(=O)c2ccncc2)C[C@@H]1c1ncc[nH]1 328625972 LGHCMTIFXHCGCH-CYBMUJFWSA-N 285.351 1.324 0 50 CDAA Cn1cc(-c2c[nH]cc2C(=O)N2C[C@H](O)C(C)(C)C2)cn1 336574858 SWXZRPRVVBFGRQ-ZDUSSCGKSA-N 288.351 1.258 0 50 CDAA C[C@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@@H](C)N1 154116552 HLVSVYYGRWYWKC-BETUJISGSA-N 299.378 1.149 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(O)nc1 253622944 ZFOOWBVUPKFMAU-JLLWLGSASA-N 290.319 1.645 0 50 CDAA O=C(NCCCc1ccccn1)C(=O)c1ccco1 216114752 IRLHOGDYAGYNNV-UHFFFAOYSA-N 258.277 1.606 0 50 CDAA Cc1ccc(-c2ccnc(N[C@@H]3CCNC3=O)n2)c(C)n1 71767604 RXDCMOJORHYEFA-CYBMUJFWSA-N 283.335 1.456 0 50 CDAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(C(N)=O)cc1 151101489 MNQMZUWKHKMNRZ-UPJWGTAASA-N 288.347 1.329 0 50 CDAA COCc1ccc(C(=O)N=c2cc(C)c(C)n[nH]2)cc1 359508185 XAAKELBZWUKLAE-UHFFFAOYSA-N 271.320 1.914 0 50 CDAA c1ccc(CCc2noc(Cn3cncn3)n2)cc1 72166042 JXKRPYBHPRIHNQ-UHFFFAOYSA-N 255.281 1.495 0 50 CDAA CCOc1ccc(S(=O)(=O)N[C@@H]2CN(C)C[C@H]2C)cc1 257366165 MBJHXTYYLQUTOM-BXUZGUMPSA-N 298.408 1.314 0 50 CDAA Cc1nc(C)n(-c2ccc(C(=O)N3CCNC[C@@H]3C)cc2)n1 126401502 ZSOXVSSVNPVSIQ-NSHDSACASA-N 299.378 1.318 0 50 CDAA COc1cc(F)c(C(=O)N2CCN[C@@H](C)C2)cc1OC 155024067 OUDNINOMWHOSFI-VIFPVBQESA-N 282.315 1.277 0 50 CDAA CC1(C)C[C@H](NC(=O)C2CCNCC2)C(C)(C)O1 236646600 GEECQAWMSQOPAE-NSHDSACASA-N 254.374 1.448 0 50 CDAA COCCCn1nccc1CN1CC(F)(F)C[C@@H]1CO 374995427 PFIGEPUAMIYRLO-GFCCVEGCSA-N 289.326 1.122 0 50 CDAA Cc1nc(=NC(=O)NC[C@@H]2C[C@H]2C2CCC2)o[nH]1 333415789 QQOQMGLMCQYFPZ-UWVGGRQHSA-N 250.302 1.358 0 50 CDAA CSCC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1 219695380 JRPVMWRJBSIWCE-UHFFFAOYSA-N 296.367 1.360 0 50 CDAA O[C@H](CN1CCOCC1)c1ccc(-c2cncnc2)cc1 32576229 NOSUSJMJIWMLAK-MRXNPFEDSA-N 285.347 1.509 0 50 CDAA CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CCCN(C)C2)C1 334292910 OWNYRONVDUCCKO-NVXWUHKLSA-N 293.455 1.805 0 50 CDAA C[C@H](NC(=O)/C=C/CN(C)C)c1ccc2n[nH]cc2c1 492791200 BEMGDHOYIMIJRP-ZWNMCFTASA-N 272.352 1.858 0 50 CDAA CC(C)c1ccoc1C(=O)N1CCc2nn[nH]c2C1 242100119 WELGOSAHQIEUPJ-UHFFFAOYSA-N 260.297 1.720 0 50 CDAA Cc1nccn1-c1cccc(=N[C@H]2CCSC2)[nH]1 376525934 CKPRLFNFFMSCJE-NSHDSACASA-N 260.366 1.915 0 50 CDAA CC(=O)NCCCNC(=O)c1ccc2nc(C)ccc2c1 157936339 CRTNIELDDKHFCA-UHFFFAOYSA-N 285.347 1.799 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)C[C@@H](O)c1cccc(F)c1 238105276 OLYACUUEEQNYAK-QWHCGFSZSA-N 295.310 1.715 0 50 CDAA O=C([C@H]1CCCN1c1ccccc1)N1CC(CO)C1 335212161 FKKXSDHXSZHUQV-CQSZACIVSA-N 260.337 1.106 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(c2nc3cc(F)ccc3o2)C1 284445271 FYURYGQOXMNOFJ-WPRPVWTQSA-N 279.271 1.046 0 50 CDAA O=C(Cc1cccs1)Nc1cnccc1-n1ccnn1 377452611 NQTNYKALHWJVHW-UHFFFAOYSA-N 285.332 1.905 0 50 CDAA Cc1cccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 136201424 QLMYTDZSXXAJPN-GHMZBOCLSA-N 282.390 1.649 0 50 CDAA CC[C@H](NC(=O)Cn1cc(Cl)c(C)n1)c1ccnn1C 223876563 MUHYMOPCZSUVFH-NSHDSACASA-N 295.774 1.846 0 50 CDAA CCc1ncnc(N2C[C@H](COC)OC(C)(C)C2)c1F 285031222 NKCCFIDQSJBDIT-SNVBAGLBSA-N 283.347 1.808 0 50 CDAA COCCN(CCN1CCCC1=O)Cc1cccnc1 191241202 CTESGKKDOKFULN-UHFFFAOYSA-N 277.368 1.152 0 50 CDAA COc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc(N)n1 222867296 RTUXDNCJFVJWBR-NSHDSACASA-N 298.346 1.663 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)co1 286327426 ODAIVRJEKZKXOR-BFHYXJOUSA-N 279.336 1.590 0 50 CDAA COc1c(C)cc(-c2nnc(C(=O)N(C)C)[nH]2)cc1C 426651184 CJTPDRILKUIRNS-UHFFFAOYSA-N 274.324 1.799 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc2c(c1)CCCC2 287024963 USBKENPEDLSNMN-KGLIPLIRSA-N 290.338 1.603 0 50 CDAA Cc1[nH]nc(C(=O)NCC[C@@H]2CCCOC2)c1Cl 426683908 PCPGUDRZCCYSPM-VIFPVBQESA-N 271.748 1.918 0 50 CDAA Cc1nc([C@@H]2CCCN2C(=O)C2(C)CCN(C)CC2)n[nH]1 426563123 JOPXLAKVVYLTCK-LBPRGKRZSA-N 291.399 1.509 0 50 CDAA C[C@H](O)c1nnnn1Cc1cccnc1C(F)(F)F 530163240 FONMGDWYTAMQTO-LURJTMIESA-N 273.218 1.189 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)C[C@@H]2CCCOC2)o1 426444618 OVWSNZLBJWRYEG-NSHDSACASA-N 294.351 1.414 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]nnc1C(=O)O 231948185 QHDCLZHHOOVMIS-SSDOTTSWSA-N 282.300 1.575 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)o1 91306075 VPFHENRSHLEVRV-OTYXRUKQSA-N 265.309 1.181 0 50 CDAA CCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)[nH]1 426513687 PILWGBUGUFUQAB-LLVKDONJSA-N 250.298 1.656 0 50 CDAA CC[C@H](C(=O)NCCNc1cc(C)ccn1)n1cccn1 91621032 SCDVNLPZXIDZPK-CYBMUJFWSA-N 287.367 1.766 0 50 CDAA CNC[C@@H]1CCN(C(=O)COc2ccc(C)cc2)C1 178970052 UQCVLLXVLQVEOW-ZDUSSCGKSA-N 262.353 1.442 0 50 CDAA Cc1nc2n(n1)C[C@@H](NC(=O)c1c(C)nsc1C)CC2 292273798 OBXNPXPWPZBBET-JTQLQIEISA-N 291.380 1.405 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)NCc2ccc(F)cc2)[C@H]2C=C[C@H]1O2 239038812 DYQAYSRMGPIASW-FDYHWXHSSA-N 291.278 1.096 0 50 CDAA CCn1nc(C(=O)N(C)Cc2noc(C(C)C)n2)cc1C 92061988 RJHMZMKXUOQZIV-UHFFFAOYSA-N 291.355 1.990 0 50 CDAA C/C=C(\C)C(=O)NS(=O)(=O)Cc1ccc(F)cc1 179326996 LKRKVYVDTISQOT-YCRREMRBSA-N 271.313 1.738 0 50 CDAA O=C(c1cc[nH]n1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 246686023 DKSBDIROYQTEKK-SGMGOOAPSA-N 274.368 1.356 0 50 CDAA Cc1ccccc1[C@H]1CN(CCc2cn(C)nn2)CCO1 625189399 QYMXZVWGIYSHJY-MRXNPFEDSA-N 286.379 1.740 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N1CC2(CCOC2)C1 294193301 BZNVQOGOQUIFNI-NSHDSACASA-N 262.309 1.098 0 50 CDAA O=C(O)C[C@H]1N=C(O)N(c2cc(F)c(F)c(F)c2)C1=O 252536087 HOUVVLZDRBXLFK-SSDOTTSWSA-N 288.181 1.208 0 50 CDAA O=c1cc(Br)cnn1Cc1cccnc1 255189194 OIVQCFJDSZGUGX-UHFFFAOYSA-N 266.098 1.449 0 50 CDAA Nc1ccnc(CN2CCC[C@@H](c3ccncc3)C2)n1 295984958 ONYGFWMJQHXNSY-CYBMUJFWSA-N 269.352 1.833 0 50 CDAA O=C1OCC2=C1[C@@H](c1ccccc1)NC(=O)N2CC1CC1 257197452 XPNOKMURCBMQSU-CQSZACIVSA-N 284.315 1.974 0 50 CDAA COC[C@]1(C)CCN(S(=O)(=O)c2cnc(C)s2)C1 296067543 DEEQVROXLDGQAV-LLVKDONJSA-N 290.410 1.499 0 50 CDAA Cc1cc(C)c(C(=O)NC[C@@H]2CCNC[C@H]2O)cc1C 534659694 KUFUIBSIPLOIBQ-DZGCQCFKSA-N 276.380 1.312 0 50 CDAA Cn1c(C(=O)N2CCOC[C@H]2C(=O)O)cc2ccccc21 299751829 RXVPRMCXUUCFKP-ZDUSSCGKSA-N 288.303 1.104 0 50 CDAA CC(C)C[C@H](C)OCCC(=O)N1CCOC[C@H]1C(=O)O 299752245 SZOLOZOGLKKOGH-RYUDHWBXSA-N 287.356 1.140 0 50 CDAA Cc1oc(CN(C)C(=O)C[C@@H]2CCOC2)cc1C(=O)O 299752944 WBSXZGNPPIOKNV-JTQLQIEISA-N 281.308 1.671 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)[C@@H]1CCCNCC1 534662374 AJALKFVLRVWYGG-CYBMUJFWSA-N 298.390 1.978 0 50 CDAA CN(C)C1(CNC(=O)CCN2CCCCC2=O)CCCC1 534671602 ORMUCPZEASXAHI-UHFFFAOYSA-N 295.427 1.380 0 50 CDAA Cc1noc([C@H](C)NC(=O)c2nc3ncccc3[nH]2)n1 534656100 PEKUXKJZMRRMGM-LURJTMIESA-N 272.268 1.140 0 50 CDAA Cc1n[nH]cc1-c1ccc([C@H](O)CN2CCOCC2)cc1 534578155 SBZWXQWUILSKDN-MRXNPFEDSA-N 287.363 1.751 0 50 CDAA Cn1nc(C(=O)O)c2c1CCN(CC[C@@H]1CC1(F)F)C2 534587376 CBJLWHHBNUFQRK-MRVPVSSYSA-N 285.294 1.522 0 50 CDAA CC(C)C[C@H](NC(=O)c1ccco1)c1ncnn1C 534649391 RPMCHXBOVXALOX-JTQLQIEISA-N 262.313 1.925 0 50 CDAA CCOCC(=O)N1CCC(Cc2cccnc2)CC1 367521238 UIRNFPFKAAZBQW-UHFFFAOYSA-N 262.353 1.899 0 50 CDAA CCOC(C)(C)C(=O)N[C@@H](COC)c1ccccn1 824347101 CJGYIBSPCBRMLN-LBPRGKRZSA-N 266.341 1.700 0 50 CDAA O=C1NCC2(CCN(C(=O)C[C@@H]3C=CCC3)CC2)O1 670460399 RJKKZVAGSMVELX-LLVKDONJSA-N 264.325 1.444 0 50 CDAA CN1C[C@]2(CCN(Cc3ccc(Cl)o3)C2)OCC1=O 670462921 QGOKTAJWQVLIBA-ZDUSSCGKSA-N 284.743 1.366 0 50 CDAA C[C@@H](C(=O)NCC(F)(F)F)N(C)C[C@H]1CCCCO1 241942399 UMGFQTBMGKDCLS-VHSXEESVSA-N 282.306 1.554 0 50 CDAA CNC(=O)[C@H]1CCCCN1Cc1cc(OC)ccn1 244594303 DKOKQFIKCSJWAP-CYBMUJFWSA-N 263.341 1.191 0 50 CDAA CC[C@H](CO)N(Cc1cccnc1)C(=O)CCOC 952979862 GFEVOWDOWWISGX-CYBMUJFWSA-N 266.341 1.218 0 50 CDAA Cc1ccc(I)c(S(=O)(=O)O)c1 66055203 POSSTIHHKTXBTM-UHFFFAOYSA-N 298.101 1.846 0 50 CDAA in-vitro Cn1nccc1C(=O)NC[C@H]1CCCN(c2ccncc2)C1 952981099 CAFRRWDGEXLQQQ-CYBMUJFWSA-N 299.378 1.462 0 50 CDAA Cc1cc(O)ncc1C(=O)N1CCC(C)(CO)CC1 408225531 VGDFHDRNCVBFJM-UHFFFAOYSA-N 264.325 1.330 0 50 CDAA O=C(NS(=O)(=O)Cc1cccnc1)[C@@H]1CC[C@H]2C[C@H]2C1 408504566 VIGRAYVGSCFIIO-XQQFMLRXSA-N 294.376 1.464 0 50 CDAA COC[C@@H]1CN(c2nccc(SC)n2)CCO1 408524401 UANZLGYQZURGAK-VIFPVBQESA-N 255.343 1.050 0 50 CDAA CCCN1CCN(C(=O)c2cncc(O)c2)C(C)(C)C1=O 275197449 FGCHITWVPZVFJY-UHFFFAOYSA-N 291.351 1.260 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)Nc1ccon1 275676400 CZBDEMBWVSESRE-SECBINFHSA-N 261.285 1.255 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)N(C)c1ccn(C)n1 277523928 RZUOXURUGLCGBO-WDEREUQCSA-N 251.330 1.588 0 50 CDAA CSCC[C@H](N)C(=O)NCc1nc(C2CC2)cs1 170678145 OEVMAGOCBCZUBW-VIFPVBQESA-N 285.438 1.717 0 50 CDAA Cc1cccc(CS(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3)c1 631971370 KRVNQAPSDYRUJO-OKILXGFUSA-N 280.393 1.261 0 50 CDAA Cc1cccc(C[C@@H](CO)NCc2cnc(C)n2C)c1 575139038 UOQJDNSWLRNSTP-HNNXBMFYSA-N 273.380 1.730 0 50 CDAA CC1=NN(c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)C1 634629424 ULZYXYPCXBCQQD-UHFFFAOYSA-N 281.337 1.050 0 50 CDAA CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(C)no2)C1(C)C 188836148 PKKZOGBFSSHOQC-FZMZJTMJSA-N 282.340 1.279 0 50 CDAA CN(C)c1ccc([C@H]2CCCN2Cc2cnc[nH]2)nn1 643731246 MMRRTYXIXSXPPY-CYBMUJFWSA-N 272.356 1.603 0 50 CDAA Cn1nccc1C1CCN(Cc2ccnc(N)c2)CC1 191468982 ILDPFMOAPDJENX-UHFFFAOYSA-N 271.368 1.777 0 50 CDAA Cc1[nH]nc2ncc(CN3CCC[C@H]4CNC[C@H]43)cc12 560961008 DOJXTPAWMWHJIG-GXTWGEPZSA-N 271.368 1.450 0 50 CDAA Cc1nc2cc(NC3CCS(=O)(=O)CC3)ccc2n1C 583650742 ADWRXFOWAMVDQS-UHFFFAOYSA-N 293.392 1.871 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)Cc1ccc2c[nH]nc2c1 565044072 LUSWNRYPRXSMRS-YRGRVCCFSA-N 299.330 1.570 0 50 CDAA Cc1cnn(Cc2nnc(-c3ccccc3)o2)c(=O)c1 195432566 ZWBZZYDGGXOTIJ-UHFFFAOYSA-N 268.276 1.650 0 50 CDAA C[C@@H](NC(=O)Cn1ccc2ccccc21)c1nn(C)cc1O 1636767815 IIFOMTAMIOUTIP-LLVKDONJSA-N 298.346 1.958 0 50 CDAA COCc1nc(O)cc(N2CCC[C@H](n3ccnc3)C2)n1 1614998273 NUROAWNGJAWBMR-NSHDSACASA-N 289.339 1.367 0 50 CDAA CCN(CC(F)(F)F)C(=O)CN1C[C@H](N)C2(CCC2)C1 1615057822 KJESJRVSUIHESZ-JTQLQIEISA-N 293.333 1.210 0 50 CDAA CCN(Cc1nc(C(C)C)no1)C(=O)CCn1cnnc1 1506420939 DTDQWVSUDWCIPX-UHFFFAOYSA-N 292.343 1.223 0 50 CDAA CCc1nccn1C[C@H](C)N1C[C@H]2[C@H](CN(C)C)[C@H]2C1 1506428312 PXFIOUNQOJRUBC-ZQDZILKHSA-N 276.428 1.573 0 50 CDAA O=C1NCCC[C@@]12CCN(Cc1cncn1C1CC1)C2 219568910 BAIVRPWQNXUQPD-HNNXBMFYSA-N 274.368 1.320 0 50 CDAA CCCn1nnnc1Cn1ccc(C(F)(F)F)n1 225517825 NYILOEVPKYHOET-UHFFFAOYSA-N 260.223 1.347 0 50 CDAA CCC1(CC)C[C@H]1C(=O)N(CCO)Cc1ncc[nH]1 1704312259 NUZVBWJIZORYAU-NSHDSACASA-N 265.357 1.557 0 50 CDAA Cc1ncsc1CN(CCO)Cc1ncc[nH]1 1704311836 DPCAFMHQGDPLHP-UHFFFAOYSA-N 252.343 1.169 0 50 CDAA CCCN(CCC)[C@@H](C)C(=O)N(CCO)Cc1ncc[nH]1 1704335862 HQNFSQXYFJBDCJ-ZDUSSCGKSA-N 296.415 1.241 0 50 CDAA CO[C@@H]1C[C@H](C(=O)N2CC(c3ccccn3)C2)CC[C@@H]1O 1704312556 FGAWIPQBRJZRGP-BYCMXARLSA-N 290.363 1.183 0 50 CDAA CNS(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 130391718 AGCDULZZJAGBDE-UHFFFAOYSA-N 263.702 1.035 0 50 CDAA CC[C@H]1CN(C)CCCN1S(=O)(=O)c1cccs1 242088021 WBDYABXTLWSCQE-NSHDSACASA-N 288.438 1.853 0 50 CDAA Oc1n[nH]c(CN2CCC[C@@H](C(F)(F)F)C2)n1 340758399 HIDOHRZOYPOWIO-ZCFIWIBFSA-N 250.224 1.285 0 50 CDAA O=C(NCC1SCCS1)[C@H]1CSCCS1 856164054 XQRZDYBASOCLGZ-SSDOTTSWSA-N 281.493 1.757 0 50 CDAA O=C(N[C@H]1CCCC[C@H]1NC(=O)C1CC1)C1CC1 12363091 WFDWVSXCEUXFEL-TXEJJXNPSA-N 250.342 1.350 0 50 CDAA CC[C@]1(CCC(=O)NCCCOC(C)C)CCC(=O)N1 14983737 DADOYPJZXNEIQD-HNNXBMFYSA-N 284.400 1.757 0 50 CDAA CC(C)n1cc(C(=O)NCc2cccnc2N(C)C)cn1 15065243 PNFYYJMYJMFPMF-UHFFFAOYSA-N 287.367 1.855 0 50 CDAA Cc1nc2nc(-c3ccccc3)nn2c(O)c1CCO 18222074 VAZVHSOHDODPNV-UHFFFAOYSA-N 270.292 1.340 0 50 CDAA O=C(NCc1ncn[nH]1)c1ccc([C@@H]2CCCN2)s1 19743246 GKQZADPGZAGARN-QMMMGPOBSA-N 277.353 1.221 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1cc(C(C)(C)C)n[nH]1 154965852 PYKHKBQPIVRJPX-VIFPVBQESA-N 285.413 1.551 0 50 CDAA NC(=O)c1ccc(C(=O)N2CCC[C@H]2c2cn[nH]c2)cc1 408523391 RJTIZHVMOIFCEA-ZDUSSCGKSA-N 284.319 1.486 0 50 CDAA Cc1cc(CN[C@H]2CCNC[C@H]2C)ccc1-n1cncn1 414964343 UWVPGNLECAWLTM-HIFRSBDPSA-N 285.395 1.663 0 50 CDAA O=C(Cc1ccn[nH]1)NC[C@H](c1ccccc1)N1CCCC1 120670232 SPVABUKEIRNZCV-MRXNPFEDSA-N 298.390 1.906 0 50 CDAA CC(C)Cn1nccc1C(=O)N[C@H](C)c1cnccn1 648406845 AXPSYPFJHTWPIU-LLVKDONJSA-N 273.340 1.820 0 50 CDAA Cc1nnsc1C(=O)N[C@@H](CC(=O)O)c1cccs1 237589327 LQXVOKMLXILCKB-ZETCQYMHSA-N 297.361 1.854 0 50 CDAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C(=O)O)C1 237787612 AMBVYBGALFJGLD-OUAUKWLOSA-N 295.360 1.472 0 50 CDAA CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)Cc1ccoc1 340738603 IBNBEHDOAWERDH-ZDUSSCGKSA-N 299.392 1.638 0 50 CDAA CCOC[C@@H]1CCCCN1C(=O)COCc1ccnn1C 458096149 RZVXCBXRNQXXKZ-AWEZNQCLSA-N 295.383 1.354 0 50 CDAA COc1ccc([C@H](CN(C)C)NCc2cc[nH]n2)cc1 253416606 YWGLBGIOZZQBDS-HNNXBMFYSA-N 274.368 1.811 0 50 CDAA Cn1nncc1CNC[C@@H]1CCCN1C1CCCCC1 366674199 ZBONJRFVDXGYPJ-AWEZNQCLSA-N 277.416 1.702 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N(C)CCOc1ccccc1F 261923370 KQEMXAVJKAMOQM-RISCZKNCSA-N 296.342 1.040 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@@H](O)CN1CCCC1 386347391 AVXSWYMVIPYYFX-XQLPTFJDSA-N 296.411 1.161 0 50 CDAA O=C(O)[C@@H]1CCCN(Cc2ccc3nccnc3c2)C1 901415612 MLPFPMIVMUKJQI-GFCCVEGCSA-N 271.320 1.926 0 50 CDAA N[C@@]1(CO)CCCN(Cc2cncc3ccccc23)C1 904401415 IBFBCVUAUTYAMV-INIZCTEOSA-N 271.364 1.520 0 50 CDAA CC[C@](CNC(=O)c1ccncn1)(C(=O)O)c1ccccc1 909844673 FYINWUPFJYHIBD-MRXNPFEDSA-N 299.330 1.639 0 50 CDAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)CCc1cn[nH]c1 910205528 NQJZNCLROSRDQO-CYBMUJFWSA-N 289.291 1.146 0 50 CDAA Cc1ccnc(Cn2cnc3c(cnn3C3CC3)c2=O)n1 919336355 PXRPYNUPQVTJEX-UHFFFAOYSA-N 282.307 1.075 0 50 CDAA Cc1ncsc1-c1nc(-c2cc(N)ncn2)no1 820988754 WNBIJWZJVXUGTH-UHFFFAOYSA-N 260.282 1.541 0 50 CDAA Cc1ncc(C(=O)Nc2ccccc2-c2nn[nH]n2)c(C)n1 826329533 HMQCGCRDLQVQJC-UHFFFAOYSA-N 295.306 1.526 0 50 CDAA Cc1nc(C)c(F)c(N2C[C@@H](C)[C@H](C(=O)O)C2)n1 832995947 NQNIMUOFIIDIAR-HZGVNTEJSA-N 253.277 1.389 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(C)C)C1 933793787 GHYQWXRQTPOEPQ-HUUCEWRRSA-N 281.444 1.802 0 50 CDAA CC(C)(C)OC(=O)N1CCOC2(CCC2)[C@H]1C(=O)O 1857783028 KELYYSJPWVGGHV-SECBINFHSA-N 271.313 1.630 0 50 CDAA O=C(C[C@H](O)c1cccc(F)c1)NC[C@@H]1CCCN1 864092210 NFDSXKWCNRHJLN-STQMWFEESA-N 266.316 1.117 0 50 CDAA Cn1nccc1-c1ccnc(N2C[C@]3(C)CNC[C@]3(C)C2)n1 864572936 CINGDPRFMGRTGA-IYBDPMFKSA-N 298.394 1.313 0 50 CDAA Cc1ncsc1CN(C)[C@H]1C(=O)CC[C@@]1(C)O 952880129 JCUFZCYBNSBTRC-NWDGAFQWSA-N 254.355 1.366 0 50 CDAA CC(C)=CC(=O)N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952888148 DSSVAMOASXITIN-QWHCGFSZSA-N 280.368 1.224 0 50 CDAA Cn1c(SCC2CC2)nc2cc(S(N)(=O)=O)ccc21 952963347 CSDYLEHJGWWJJX-UHFFFAOYSA-N 297.405 1.723 0 50 CDAA C/C=C/C(=O)N1C[C@@H](C)C[C@H](c2nnc(O)n2C)C1 1875297950 JNFYVRKKIKMUGE-AWAZDUCLSA-N 264.329 1.049 0 50 CDAA O=C(C[C@@H]1CCC[C@H]1O)N1CCC(c2nnc(O)o2)CC1 1875293860 FYKKPCNQROLCNY-WDEREUQCSA-N 295.339 1.032 0 50 CDAA CN(Cc1ccoc1)C(=O)N[C@@H]1C[C@]2(C(=O)O)C[C@H]12 1875292116 XICSVUHCNUMCQK-GIPNMCIBSA-N 264.281 1.284 0 50 CDAA C=CC(=O)N1CCc2ccc(S(C)(=O)=O)cc2CC1 1875367379 XJPZPKHEFSRNAB-UHFFFAOYSA-N 279.361 1.203 0 50 CDAA c1ncn(-c2ccc(OC[C@H]3C[N@@]3C3CCC3)cc2)n1 1875378411 CQEDDMYMTDTOPT-KDOFPFPSSA-N 270.336 1.883 0 50 CDAA COc1cnccc1-c1noc([C@H]2OCC[C@H]2CN)n1 888078411 PBNLUUZINDUINV-KWQFWETISA-N 276.296 1.177 0 50 CDAA COC[C@@H](OC)c1noc(-c2ncccc2F)n1 896655883 BYTRTWFESGZFHJ-MRVPVSSYSA-N 253.233 1.605 0 50 CDAA Cc1ccc(NC(=O)c2[nH]nnc2[C@@H]2CCCN2)cc1 1775984808 COYIIHQHLMPQQU-NSHDSACASA-N 271.324 1.790 0 50 CDAA O=C(NCCc1cnc(O)nc1)c1cccc2c1CCC2 899710983 INYBKELOSUAWPY-UHFFFAOYSA-N 283.331 1.643 0 50 CDAA CCOC(=O)CCNC(=O)c1cccc2nccnc12 130447452 XXAIVGCLYIVZPH-UHFFFAOYSA-N 273.292 1.313 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2-c2ccc(C)o2)C1 260467648 ROUFWNMBDHSZNA-SECBINFHSA-N 261.281 1.582 0 50 CDAA Nc1ncc(CN2CC[C@H]([C@H]3CCOC3)C2)s1 262107593 WDKKCZFEMBGHDF-UWVGGRQHSA-N 253.371 1.584 0 50 CDAA Cc1ccc(S(=O)(=O)N(CC(=O)O)C(C)C)o1 263504075 UWXHTAXKAZYPMO-UHFFFAOYSA-N 261.299 1.072 0 50 CDAA OC[C@@H]1C[C@H]2CC[C@H]1N2c1ccc(C(F)(F)F)nn1 290794967 XYOCXOJKZKKIKZ-DJLDLDEBSA-N 273.258 1.845 0 50 CDAA CN(C)[C@H]1CCCN(Cc2cccc3nccn23)C1 180011783 ZPDSVMPRVTVTSD-ZDUSSCGKSA-N 258.369 1.860 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(CCc2ccccc2)CC1 191427342 NTPTWHILFQBUBB-HNNXBMFYSA-N 276.380 1.710 0 50 CDAA COc1ccc(OC)c2c1CN([C@H]1CCOC1)C[C@@H]2O 328589194 JOJIYYYIPGCIOM-JQWIXIFHSA-N 279.336 1.342 0 50 CDAA C[C@@H](C(=O)O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 647162978 XMLYYBUORCEWTL-OCCSQVGLSA-N 290.363 1.440 0 50 CDAA COc1ccnc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1 684771304 CMLIVVBLZHQHCY-BDAKNGLRSA-N 264.281 1.073 0 50 CDAA O=S1(=O)CC[C@@H](NC(O)=C2N=NC3=C2CCC3)C1 2083580019 WBUVGGLEYIBYEX-SSDOTTSWSA-N 269.326 1.394 0 50 CDAA O=c1c2ccccc2nnn1Cc1cccc(F)c1 4511993 UNIZQICQHOTFJO-UHFFFAOYSA-N 255.252 1.979 0 50 CDAA Cn1cnc2nc(-c3cccc4c3OCC4)ncc21 2100541130 WYAKXVLTKNOOGD-UHFFFAOYSA-N 252.277 1.965 0 50 CDAA COC(=O)c1cc2n(n1)C[C@@H](c1ccc(OC)cc1)OC2 643919642 UUECEYQZEHOQMN-AWEZNQCLSA-N 288.303 1.950 0 50 CDAA Cc1c(NC(=O)N2CC=CCC2)c(C(=O)O)nn1C 2325794663 MCYWCKFWUKRBKE-UHFFFAOYSA-N 264.285 1.221 0 50 CDAA C[C@@H]1CCCn2cc(C(=O)NCc3cnc(O)[nH]3)nc21 2325798044 JMGSVYSVDAWKTR-MRVPVSSYSA-N 275.312 1.139 0 50 CDAA Cc1nnc2n1CC[C@]2(C)C(=O)NOc1ccccc1 2325799347 PNNKJUUCZVWRLH-AWEZNQCLSA-N 272.308 1.358 0 50 CDAA Cc1oc(S(=O)(=O)N2CCCCC2)cc1C(=O)O 114801 VNEXQYZMUZFAHN-UHFFFAOYSA-N 273.310 1.461 0 50 CDAA COC(=O)CSc1nc(-c2ccncc2)n[nH]1 285783 KYMQKLFVQOSLHS-UHFFFAOYSA-N 250.283 1.132 0 50 CDAA CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCC(=O)O 2901736 ZQWUDIOCFORJQL-UHFFFAOYSA-N 290.319 1.301 0 50 CDAA biogenic O=C(O)C(Br)(Br)Br 3860794 QIONYIKHPASLHO-UHFFFAOYSA-N 296.740 1.910 0 50 CDAA in-vitro COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccncc1Cl 4542164 UWGGNAUACPPYGK-SNVBAGLBSA-N 281.699 1.536 0 50 CDAA CCn1ccc(C(=O)NCCc2ccccc2OC)n1 6725480 UBEAVAIZXSDTOK-UHFFFAOYSA-N 273.336 1.884 0 50 CDAA 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COc1ccc(OC)c(-c2nc3nnc(C)n3[nH]2)c1 229419 KRIWADDEAZZRGB-UHFFFAOYSA-N 259.269 1.445 0 50 CDAA O=C1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)CCN1 712962010 NRYGZTQARKAEGK-TUAOUCFPSA-N 250.342 1.208 0 50 CDAA O=C(Nc1ccc(Br)c2c1CCO2)[C@@H]1CCN1 2325806759 FFWHVJQAURBPNA-JTQLQIEISA-N 297.152 1.684 0 50 CDAA CN(C)c1cccc(CNc2nccc(-n3ccnc3)n2)n1 2325874436 MSFQTCWETOFDFU-UHFFFAOYSA-N 295.350 1.735 0 50 CDAA C[C@H](N)C1CCN(C(=O)c2ccc3c(c2)C(=O)NC3)CC1 2325892797 FBVBGZRAFMJSMX-JTQLQIEISA-N 287.363 1.129 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 143372 SULFTTMBOIOVEE-GFCCVEGCSA-N 298.364 1.102 0 50 CDAA NC(=O)c1ccccc1NC(=S)NC(=O)c1ccco1 308868 KDWZKECKKFGDJB-UHFFFAOYSA-N 289.316 1.505 0 50 CDAA O=C1OC[C@H]2CN(Cc3noc(-c4ccccc4)n3)C[C@@H]12 2356156909 WHIHFSNXMWFLDE-VXGBXAGGSA-N 285.303 1.341 0 50 CDAA O=C(NCc1ccc(Cl)cc1)C(=O)NC1CC1 2824271 OVEPQZUNIBPGDM-UHFFFAOYSA-N 252.701 1.235 0 50 CDAA O=C1N[C@@H](c2ccccc2)C(=O)N[C@H]1c1ccccc1 4824137 BMGJGWGTAAJISM-KBPBESRZSA-N 266.300 1.715 0 50 CDAA COc1ccc(Cl)cc1Nc1nc(=O)cn[nH]1 8768849 NKXGYMQFYAQUTD-UHFFFAOYSA-N 252.661 1.571 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)CN1CCCc1cccc(C)c1 225352905 BCHNVAXNTFZRAK-GJZGRUSLSA-N 277.364 1.536 0 50 CDAA OC1(CNCc2c[nH]nc2-c2ccccc2)CCOCC1 112717182 NHLUVUYFKXBLGH-UHFFFAOYSA-N 287.363 1.708 0 50 CDAA COC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 100791866 KXPTYVITIUKMSV-IENTYSSBSA-N 251.326 1.635 0 50 CDAA CO[C@H](CNC(=O)c1ccc(SC)cc1)C(=O)O 227270509 YYONRZWXMBGGRJ-SNVBAGLBSA-N 269.322 1.238 0 50 CDAA CN(CCC(C)(C)O)C(=O)/C=C/c1cnn(C)c1 67758538 RTFMOKKJKFRIBC-AATRIKPKSA-N 251.330 1.053 0 50 CDAA COc1ccc2nc(CNC(=O)c3ncc[nH]3)[nH]c2c1 67605742 NKEYTBVQRONNCU-UHFFFAOYSA-N 271.280 1.225 0 50 CDAA COC[C@H]1CCCCN1C(=O)c1c(C)nn(C)c1C 23505108 KBJPCEGBURGAAF-GFCCVEGCSA-N 265.357 1.678 0 50 CDAA C[C@@H]1CNC(=O)CCN1C1CCN(Cc2ccco2)CC1 65419878 CQJPTYJANHPWLY-CYBMUJFWSA-N 291.395 1.454 0 50 CDAA Cc1nc(NC[C@H]2COCCO2)cc(C2CCNCC2)n1 67755548 IXLSXWMUUHWCJJ-ZDUSSCGKSA-N 292.383 1.079 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)C)nc2O)n[nH]1 1362644234 JYXFAMKIOVSWIQ-MRVPVSSYSA-N 289.339 1.828 0 50 CDAA CNc1nc(N2CCC3(CCNCC3)C2)ncc1F 67472752 UVINDHAJEBJDQQ-UHFFFAOYSA-N 265.336 1.237 0 50 CDAA CCCc1[nH]ccc1C(=O)NCCN1CCOC[C@H]1C 421759945 FCTCXQDTEDJNNG-GFCCVEGCSA-N 279.384 1.418 0 50 CDAA C[C@H](CO)NCC(=O)Nc1ccc(F)c(F)c1F 65385451 CIIRRYWKDLSFCD-ZCFIWIBFSA-N 262.231 1.013 0 50 CDAA Cc1ccc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cn1 229576957 CJHPFOIKMWBDGV-IHRRRGAJSA-N 291.395 1.618 0 50 CDAA C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)[C@H]1CCCO1 31903342 ZQMPDDILPJSGAQ-ZWNOBZJWSA-N 274.320 1.929 0 50 CDAA C[C@@H]1Cc2cc(S(=O)(=O)NC(C)(C)CN)ccc2O1 123731212 HQRXSAHWYTUQJQ-SECBINFHSA-N 284.381 1.026 0 50 CDAA O=C(NCC(F)(F)F)Nc1ccnn1C[C@@H]1CCOC1 252485706 HBWVLTUMBNHVCQ-QMMMGPOBSA-N 292.261 1.603 0 50 CDAA CO[C@@H]1CCN(C(=O)Cc2ccc(N(C)C)cc2)C1 219457026 ZLVDMLXAXWSOOP-CQSZACIVSA-N 262.353 1.542 0 50 CDAA Cc1[nH]nc(O)c1CC(=O)N1CCC[C@H](c2ncc[nH]2)C1 77375571 ANJGZINBFDHMKJ-JTQLQIEISA-N 289.339 1.096 0 50 CDAA Cc1cc2ncn(Cc3nnc4n3CCOC4)c2cc1C 280740074 LCHYTBKOSGWIQX-UHFFFAOYSA-N 283.335 1.823 0 50 CDAA C[C@H](C(=O)N1CCCc2n[nH]cc21)N(C)CC(F)(F)F 280852250 VDMFOFRRTHOYBJ-MRVPVSSYSA-N 290.289 1.572 0 50 CDAA O=C(O)Cc1csc(NC(=O)CC2CCOCC2)n1 238112159 WENNNIUDHRYMKD-UHFFFAOYSA-N 284.337 1.525 0 50 CDAA Cc1ccnc(C2CCN(C(=O)C[C@@H]3CCOC3)CC2)n1 374968067 HCWOXWHZQPWHPP-ZDUSSCGKSA-N 289.379 1.918 0 50 CDAA CCN(CCO)C(=O)c1ccc(-c2nnc(S)o2)cc1 123267502 KPQBJMJWRULAJY-UHFFFAOYSA-N 293.348 1.480 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)N2CC(OC(F)F)C2)CC1=O 437588789 CELUWELWICYHGE-MRVPVSSYSA-N 290.310 1.083 0 50 CDAA CN(C[C@@H]1CCCOC1)C(=O)c1ccc(C(N)=O)s1 330642294 JDCQLAKGEJZLTL-VIFPVBQESA-N 282.365 1.346 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)[nH]c1=O 72117861 MSKYSLFFHLMMQF-ZDUSSCGKSA-N 298.342 1.951 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(Cc2cccc3c2OCO3)C1 331365492 DHTHFOCAAFUNKC-QWRGUYRKSA-N 278.308 1.540 0 50 CDAA Cc1cc(NCCOCCO)n2nc(C)c(C)c2n1 72408382 QLBDYOCDYFODNR-UHFFFAOYSA-N 264.329 1.075 0 50 CDAA NC(=O)CN1CCO[C@H](Cc2cccc3ccccc23)C1 71738766 GJYVNNPNPUTVNW-OAHLLOKOSA-N 284.359 1.568 0 50 CDAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc2cc[nH]c12 181209149 RCDDUHXBEBQMIG-NSHDSACASA-N 297.358 1.909 0 50 CDAA Cc1nnc(CC(=O)N[C@H]2CN(C)Cc3ccccc32)o1 366958568 AIQBFWNCQKOACV-ZDUSSCGKSA-N 286.335 1.223 0 50 CDAA Cc1ccccc1OCCN(C)C(=O)[C@H]1NCCO[C@@H]1C 261972926 QUKISLUEFKFXRQ-HIFRSBDPSA-N 292.379 1.209 0 50 CDAA C[C@H]1CO[C@H](C)CN1C(=O)C[C@@H](C)C1CCNCC1 237432546 VYRKZEQWIGLHOU-FRRDWIJNSA-N 268.401 1.648 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCC[C@H]2O)nn1[C@H](C)C1CC1 333965506 PZPPVYUAJMABQQ-MPKXVKKWSA-N 277.368 1.806 0 50 CDAA CN(C)C/C=C/C(=O)N(C)CC1(N(C)C)CCC1 491962246 KRKYZRJVHHVFAL-SOFGYWHQSA-N 253.390 1.047 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CCC(=O)O)C2)O1 157904670 MQYLXZDEMQDZPJ-IJLUTSLNSA-N 269.341 1.657 0 50 CDAA C[C@@H](NC(=O)c1cc2c(nc1O)CCCCC2)C(=O)O 262456824 UGNJNSSZOKFDEZ-MRVPVSSYSA-N 278.308 1.259 0 50 CDAA O=c1[nH]ncc(N2CCC=C(Br)C2)c1Cl 241368017 MJJDBRXOWRNYCB-UHFFFAOYSA-N 290.548 1.912 0 50 CDAA C[C@]1(C(=O)N2CCC[C@@H](OCC3CC3)C2)CCC(=O)NC1 239619560 BFNHPGPLLACCIF-CJNGLKHVSA-N 294.395 1.320 0 50 CDAA O=C(NCCO)c1cccc(NC[C@@H]2CCC=CO2)c1 241368003 MJGVHAIEHORECX-AWEZNQCLSA-N 276.336 1.513 0 50 CDAA C[C@H]1CN(C(=O)C(=O)N[C@H](C)c2ccccc2)CCO1 283226263 OUSFGHZSNIBPAG-NWDGAFQWSA-N 276.336 1.111 0 50 CDAA O[C@H]1CCCN(c2ccc(Br)cn2)C1 40452420 KGAHCPLPEKWVKI-VIFPVBQESA-N 257.131 1.805 0 50 CDAA CNc1cc(C)nc(N[C@@H]2CCOC[C@H]2OCC2CC2)n1 223302915 AUMDZVXRKCMEPG-CHWSQXEVSA-N 292.383 1.823 0 50 CDAA CC[C@H](NC(=O)c1ccc(O)c(C)c1)[C@H]1C[C@@H](O)C1 220577435 IWMOKHMYYCGYDS-AVGNSLFASA-N 263.337 1.980 0 50 CDAA CCO[C@@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 229485270 UCSQHVDBYCNDHD-ZIAGYGMSSA-N 262.353 1.714 0 50 CDAA Cn1cc([C@H](NC(=O)C2CCCC2)C2CC(O)C2)cn1 220482011 XQTJWCDUTANLEK-UXUKBGGZSA-N 277.368 1.539 0 50 CDAA CC(=O)N1CC[C@@H](C(=O)N(C)Cc2scnc2C)C1 176568763 RGRBZMDJNCFGPK-LLVKDONJSA-N 281.381 1.278 0 50 CDAA COc1ccc(NC(=O)COc2ncccn2)cc1 82230350 KWAUVQQOLOAWRH-UHFFFAOYSA-N 259.265 1.503 0 50 CDAA COc1cccc2c1ccn2CCC(=O)NCC(=O)O 40309831 OQKWKKZQPWUUGW-UHFFFAOYSA-N 276.292 1.241 0 50 CDAA biogenic CCN(Cc1noc(C2CC2)n1)C(=O)[C@@H](O)C(C)C 223580806 CCTPQBBOPSZQQY-NSHDSACASA-N 267.329 1.312 0 50 CDAA CCn1nc(-c2ccc(C(N)=O)cc2)nc1N(C)C 426615540 NZNNWMCTQXLGGH-UHFFFAOYSA-N 259.313 1.130 0 50 CDAA CCOC(=O)[C@H](NC(=O)OC(C)(C)C)c1cnccn1 142564530 XDAWCEDIQFLJAQ-SNVBAGLBSA-N 281.312 1.606 0 50 CDAA Cc1cc(C)c2ccc(C(=O)NCCc3cnn[nH]3)cc2n1 426635347 KHBXDBZHSMTQNS-UHFFFAOYSA-N 295.346 1.942 0 50 CDAA CNC(=O)[C@@H](C)Cn1cc(-c2cc(F)cc(F)c2F)nn1 91849254 LXGXTEKKCWZAHM-ZETCQYMHSA-N 298.268 1.745 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H](N)C3)C2)no1 237772603 YMSZFGQUBMNJRV-YNEHKIRRSA-N 292.383 1.287 0 50 CDAA CC(C)c1nccn1[C@H](C)C(=O)NC1(C(=O)O)CCC1 426503999 NGEVIRQXASJMDS-SNVBAGLBSA-N 279.340 1.691 0 50 CDAA COc1cc(OC)cc([C@H]2CCN(CC(=O)O)C2)c1 237224780 UVLUWDSIRPWHBG-JTQLQIEISA-N 265.309 1.578 0 50 CDAA CSCCc1nc([C@@H](O)c2ccccc2)nn1CCO 97506018 QSYFAOQQSMQZQR-ZDUSSCGKSA-N 293.392 1.258 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)NCCCSC)c1 97654239 OIZORNDPOXRVMA-UHFFFAOYSA-N 283.349 1.876 0 50 CDAA O=C1[C@H]2CC[C@H](CN(Cc3nccs3)C2)N1CC1CC1 95354372 RDZZXUKKQKYQQV-QWHCGFSZSA-N 291.420 1.976 0 50 CDAA CN(C)S(=O)(=O)N1CCC[C@](C)(c2ccccc2)C1 91304156 FRVLLAJUXOYCFG-AWEZNQCLSA-N 282.409 1.847 0 50 CDAA Cc1ccccc1[C@@H](O)CNC(=O)[C@@H](N)C(C)(C)C 237625547 LNVILWAFUMSOHQ-QWHCGFSZSA-N 264.369 1.518 0 50 CDAA COc1cc(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)on1 183929972 MMXJENVXGVEBBL-SNVBAGLBSA-N 292.291 1.798 0 50 CDAA COc1ccc(C(=O)N2CCC3(CC2)[C@@H](OC)C[C@H]3O)o1 91808960 WQRVAPZWEBIMAU-NEPJUHHUSA-N 295.335 1.290 0 50 CDAA Cc1n[nH]cc1CNC1(C(=O)N(C)C)CCCCC1 294943877 HCKASNDEZBEAHZ-UHFFFAOYSA-N 264.373 1.599 0 50 CDAA O=C(Cn1ccc2ccccc21)NCCn1cncn1 244619957 FJELRFPKMXWBSU-UHFFFAOYSA-N 269.308 1.049 0 50 CDAA O=C(N[C@H]1CCCNC1=O)c1ccc2c(c1)CCCC2=O 295758050 JJVTVOXFRWBQSJ-ZDUSSCGKSA-N 286.331 1.214 0 50 CDAA O=C(O)C[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@H]2[C@@H]2[C@@H]1C[C@@H]([C@H]24)[C@@H]3CC(=O)O 257357093 LYTPPZLDGPSXGB-UFUSQVDVSA-N 276.332 1.946 0 50 CDAA Cc1nc2c3ccccc3nn2c(O)c1CC(=O)O 252552878 VDGDENSQFIOQNN-UHFFFAOYSA-N 257.249 1.524 0 50 CDAA CCOC(=O)C(CC)(CC(=O)OC)C(=O)OCC 601012383 DCQRIZWJIFBFDB-UHFFFAOYSA-N 260.286 1.072 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)CCCOc2cccnc2)C1 299744064 QPKLKVCFCMCTKN-NSHDSACASA-N 278.308 1.174 0 50 CDAA Cc1nn(C(C)(C)C)cc1C(=O)N(C)CCn1cccn1 184282848 FWVBHAUHXCLXPP-UHFFFAOYSA-N 289.383 1.915 0 50 CDAA Cc1ccc2c(c1C)NC(=O)CN(CCN(C)C)C2=O 534667828 GKGUTRUMMUKXGW-UHFFFAOYSA-N 275.352 1.259 0 50 CDAA CCCCS(=O)(=O)NCc1noc([C@@H]2CCCO2)n1 534656795 CCXHPDQPWHJBAY-VIFPVBQESA-N 289.357 1.141 0 50 CDAA CCN1CCCC[C@@H]1CNc1ccc(C(N)=O)cn1 267530916 QFGDZVQEARFPCF-GFCCVEGCSA-N 262.357 1.467 0 50 CDAA Cc1cccc2oc(CNS(=O)(=O)N3CCCC3)nc12 534584080 HIYLAATVLQWFSC-UHFFFAOYSA-N 295.364 1.566 0 50 CDAA CN(C)c1cncc(NCC[C@@H]2CCCOC2)n1 534671112 CWGXMHCDOQMQEG-NSHDSACASA-N 250.346 1.771 0 50 CDAA CCN(C)[C@@H](C)C(=O)NCc1nn(C)c2ccc(C)cc12 534633680 QXJFVVIGNIAQDT-LBPRGKRZSA-N 288.395 1.838 0 50 CDAA CCCS(=O)(=O)N[C@H](CC(C)C)c1ncnn1C 534667888 XBBLMOOXXGDUCH-SNVBAGLBSA-N 274.390 1.232 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1ccn(C(F)F)n1 299795805 LYWYPJLPYDEEEA-MRVPVSSYSA-N 298.297 1.942 0 50 CDAA CN(CC(=O)NCc1ccc(C(=O)O)o1)C1CCCC1 299760414 JWTCACBVUQYZMD-UHFFFAOYSA-N 280.324 1.468 0 50 CDAA COCCCN1CC[C@H](CNC(=O)c2cncc(F)c2)C1 824390218 VLKZVLBJZJCBBS-GFCCVEGCSA-N 295.358 1.309 0 50 CDAA O=C1C[C@H](NC(=O)C2CCOCC2)c2ccccc2N1 584896278 JFCAKFKELJRAHL-ZDUSSCGKSA-N 274.320 1.613 0 50 CDAA COCC1(C(=O)N2CCC(Cn3ccnc3)CC2)CCC1 584893806 GTSFZVVDSQNWQC-UHFFFAOYSA-N 291.395 1.938 0 50 CDAA CNC(=O)C[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 670455821 LEPQEZIRFHSXPW-NSHDSACASA-N 272.352 1.521 0 50 CDAA Cc1nc(CN2CCCCC2=O)n(-c2ccncc2)n1 670452247 SMRXJNALULPDBB-UHFFFAOYSA-N 271.324 1.483 0 50 CDAA C[C@@H]1CCC[C@@H]2CCCN(C(=O)[C@H]3CCNC(=O)C3)[C@H]12 685939627 CZUYNIMAJSHENU-GUIRCDHDSA-N 278.396 1.940 0 50 CDAA NC[C@@H]1CC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)CN1 757211930 JJIVXKCAOKVNDZ-XWLWVQCSSA-N 265.323 1.244 0 50 CDAA Cc1nc(C)c(CN(C)CCN2CCOCC2)s1 20254685 XOHJBZINHMYKKE-UHFFFAOYSA-N 269.414 1.524 0 50 CDAA CCn1ccc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)n1 1550343573 LLFVUAXKDWOIBY-JSGCOSHPSA-N 299.330 1.946 0 50 CDAA CCC1=NO[C@@H](CN(C)Cc2snnc2C)C1 244795365 REWXOOACFVPBPH-SNVBAGLBSA-N 254.359 1.833 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)C1=C(C)OCCO1 952971968 AJBUHKKSMYTROF-LLVKDONJSA-N 265.313 1.056 0 50 CDAA Cc1ccc(-c2ccc(CN3C[C@H](N)[C@@H](O)C3)o2)cc1 1565529320 BNADNLNYOQHJJT-GJZGRUSLSA-N 272.348 1.759 0 50 CDAA COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cccnc1 271568649 QMZLODSKVWYFMK-WFASDCNBSA-N 276.336 1.933 0 50 CDAA c1nc(-c2noc([C@H]3CCCc4nn[nH]c43)n2)co1 663160673 MEYRUHPMQCVWQV-LURJTMIESA-N 258.241 1.311 0 50 CDAA O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cncnc1 275741939 YCDUCUZVYIFXBX-ZFWWWQNUSA-N 283.331 1.984 0 50 CDAA CCC(C)(CC)NC(=O)Cc1c(C)[nH]c2ccnn2c1=O 169985417 ZYLVQPINIDIDSJ-UHFFFAOYSA-N 290.367 1.568 0 50 CDAA C[C@@H]1CCN(C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 632645968 ZCDTXWPKCQYOGN-BDAKNGLRSA-N 291.277 1.433 0 50 CDAA CO[C@@H]1CN[C@@H](C(=O)NC2CCC(OC(C)C)CC2)C1 189305527 PMMPRWUAPDRWGE-CLRIEMFWSA-N 284.400 1.216 0 50 CDAA CCn1nncc1CNCCc1ccc(F)c(F)c1 576254242 NIAIVRPXDRROEA-UHFFFAOYSA-N 266.295 1.909 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)Cc2c[nH]c3ncccc23)C1 191051782 LWGHKYRFAGKLGC-HNNXBMFYSA-N 287.319 1.429 0 50 CDAA COCn1ccc(C(=O)Nc2cnn(C(C)C)c2)n1 668018534 PWNJUSAAELDALI-UHFFFAOYSA-N 263.301 1.517 0 50 CDAA Cc1csc2c(N3CCOC[C@H]3CC(N)=O)ncnc12 580036233 OEJCVWCKWCAEHV-SECBINFHSA-N 292.364 1.080 0 50 CDAA Cn1c(Cl)cnc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 583618829 PRFJCBGVQZHQDD-UTUOFQBUSA-N 299.802 1.435 0 50 CDAA CC(C)n1cc([C@@]2(O)CCN(CC3CCCC3)C2)nn1 583617354 ZVCSCYJXHQACOM-OAHLLOKOSA-N 278.400 1.943 0 50 CDAA CCN(CC)C(=O)NC[C@@H](C)N1CCCCC1=O 194602115 KPEOSXSJXOPOLB-LLVKDONJSA-N 255.362 1.439 0 50 CDAA Cc1cc(CC(=O)N[C@H]2COc3ccccc3C2=O)n(C)n1 584780305 DGFHQNXEZLSILO-ZDUSSCGKSA-N 299.330 1.031 0 50 CDAA CCc1ncnc(N2CCC[C@@H]2C(=O)OC)c1F 195574053 VVWRPCPSAREKBM-SECBINFHSA-N 253.277 1.320 0 50 CDAA N[C@@H]1CN(Cc2nc3c(o2)CCCC3)CC12CCC2 1615058893 RXBYQEZLWKKCQA-CYBMUJFWSA-N 261.369 1.867 0 50 CDAA CCN(CC(F)(F)F)C(=O)CN1C[C@@H](N)C2(CCC2)C1 1615057826 KJESJRVSUIHESZ-SNVBAGLBSA-N 293.333 1.210 0 50 CDAA CCc1cnc(CS(=O)(=O)c2cccnc2)o1 1652220186 QWOFMTAPILXRSR-UHFFFAOYSA-N 252.295 1.606 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC2(C(N)=O)CCCC2)n1 1506402061 HVWIHTVTRGVURD-LLVKDONJSA-N 264.373 1.276 0 50 CDAA CCc1nccn1CCNC(=O)CSc1nnc(C)o1 1506425308 LUKUBTZUNKMHIM-UHFFFAOYSA-N 295.368 1.045 0 50 CDAA CCn1cc(CN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)cn1 1529195308 IOSIFPVIUPOIQE-HIFRSBDPSA-N 290.367 1.235 0 50 CDAA CCN1CCCC[C@@H]1C(=O)Nc1c2c(nn1C)CSC2 1529114157 MCDMRLDZESEUDV-GFCCVEGCSA-N 294.424 1.980 0 50 CDAA Cc1cccc(CC(=O)NCc2ncccc2O)c1 225410448 HIBFTWITNJMLOR-UHFFFAOYSA-N 256.305 1.955 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccc3ncccc3c1)C2 1704307585 ASWJLYIFLIKOGO-CABCVRRESA-N 297.358 1.182 0 50 CDAA C[C@H]1CCN(C(=O)c2nccc3c2CNCC3)[C@H]1C 1875304297 GKODHXDBHSDEKA-QWRGUYRKSA-N 259.353 1.598 0 50 CDAA C=CC(=O)N[C@]1(C(=O)OC)CCc2ccccc2C1 1875368138 TZOABGRLUYFFHX-OAHLLOKOSA-N 259.305 1.389 0 50 CDAA COCCN1CCC[C@](O)(CNC2CCCCCC2)C1=O 12315862 IBCCJAVMIJFAQM-INIZCTEOSA-N 298.427 1.299 0 50 CDAA CCCC[S@](=O)C[C@@H](O)COc1ccccc1 16662159 UMOPQQMABRASPP-YVEFUNNKSA-N 256.367 1.975 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)n2ccnc2)C1 200401281 WKKDQBIXIGYWFQ-SNVBAGLBSA-N 280.328 1.450 0 50 CDAA N[C@@H]1CC[C@H](C(=O)NCCCc2ccccc2)C[C@H]1O 1857721873 JZPCVTNAVFPSCK-RRFJBIMHSA-N 276.380 1.224 0 50 CDAA COC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 128947142 FOJYVFKEUVPFBR-BBBLOLIVSA-N 284.356 1.051 0 50 CDAA COc1ccc(OCCCN2CC[C@H](O)[C@H](CO)C2)cc1 412104399 NJCSAWHHEDERKJ-BBRMVZONSA-N 295.379 1.139 0 50 CDAA O=C(O)[C@@H]1CCCCCN1C(=O)c1nc[nH]c2nccc1-2 621571113 PXMHLYZQWQKBGK-JTQLQIEISA-N 288.307 1.379 0 50 CDAA O=C(Cc1nnc(O)c2ccccc12)Nc1cccnc1O 751399402 RBKNFQHYBAYEIJ-UHFFFAOYSA-N 296.286 1.617 0 50 CDAA O=C1C[C@@H](NCc2cc[nH]c2)CN1Cc1ccccc1 370355662 RCIPRUOJYUGFSM-OAHLLOKOSA-N 269.348 1.905 0 50 CDAA Cc1n[nH]cc1CNC(=O)[C@]1(O)CCc2ccccc2C1 375057167 IPBUNHJNCFEOFT-INIZCTEOSA-N 285.347 1.254 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1 262706871 JXMMBGUARFIQJQ-AXTRIDKLSA-N 293.367 1.510 0 50 CDAA Cc1nc(C(=O)NC[C@]2(c3ccccc3)CCCO2)no1 902983008 JSDHFRVIORQTJN-HNNXBMFYSA-N 287.319 1.814 0 50 CDAA Cc1c(C(=O)N(C)Cc2ccon2)nc2ccccn12 1149266400 NMWAAMBWINYVHN-UHFFFAOYSA-N 270.292 1.903 0 50 CDAA Cc1ncsc1CN[C@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 863982531 SAOPQRKUXCHUNY-QTCIEIIFSA-N 250.367 1.965 0 50 CDAA CN(C)C(=O)c1cnn(C[C@@H](O)c2cccc(Cl)c2)c1 871985199 VZGUMYUFSBTVJZ-CYBMUJFWSA-N 293.754 1.972 0 50 CDAA COC(=O)c1ccnc(N(C)C[C@H](C)c2nccs2)n1 952883024 PRIXAKFYRYEKGO-VIFPVBQESA-N 292.364 1.960 0 50 CDAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 1875306730 MVVZNZPMQBYHBL-IKSYMUQXSA-N 271.263 1.257 0 50 CDAA C[C@]1(C(=O)NS(C)(=O)=O)CCCc2ccccc21 1875390318 WQHVSANSSJEZHY-ZDUSSCGKSA-N 267.350 1.356 0 50 CDAA CN(C)C/C=C/C(=O)N[C@H](CCC(C)(C)C)c1nc[nH]n1 1875376875 LQEZOSWBEKFUDN-NNNHXZLVSA-N 293.415 1.906 0 50 CDAA O=C(O)[C@H](CCO)NC(=O)[C@@H]1CCSc2ccccc21 1875313587 QHLGJNVQHFYSCH-MNOVXSKESA-N 295.360 1.218 0 50 CDAA Cc1nn(C)c(C)c1[C@H](O)CNc1ncnc2c1CCC2 1772123950 RPLSUQQUDUQETO-CYBMUJFWSA-N 287.367 1.461 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cnc4[nH]ncc4c3)C[C@H]21 1775960842 BDDRGHCPYKTOTF-LDDIKCJXSA-N 271.324 1.270 0 50 CDAA C[C@H](NC(=O)c1csc(C(C)(C)C)n1)C(=O)O 262524730 NFBHYBAWFWPRFW-LURJTMIESA-N 256.327 1.644 0 50 CDAA CN(CCCC(=O)O)C(=O)c1cc2c(s1)CCOC2 269107072 BZMKTEXJQAIXPN-UHFFFAOYSA-N 283.349 1.758 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@@H]1C=C[C@H](C(=O)O)C1 277251588 LXNWMLUTGHSGGH-NWDGAFQWSA-N 295.360 1.557 0 50 CDAA CNC(=O)CC1CCN(Cc2nccn2C(C)C)CC1 67561976 PQQNJOQUCWWTDF-UHFFFAOYSA-N 278.400 1.812 0 50 CDAA O=C(NC1CC1)[C@H]1CCCN1CCC1(O)CCC1 662888357 FVFPOWXOEFUEMU-GFCCVEGCSA-N 252.358 1.035 0 50 CDAA CN(CCOc1cccc(Cl)c1)C(=O)c1cc(N)n[nH]1 80638630 GLTFOAYWAMFKGG-UHFFFAOYSA-N 294.742 1.796 0 50 CDAA N=c1[nH]cc(C(=O)NC[C@H]2CC[C@H](CO)CC2)s1 584884992 VWLIWXWHUBJQLL-KYZUINATSA-N 269.370 1.084 0 50 CDAA CCCOC[C@@H]1CCN(CCN2CCOCC2)C1 822973946 KLEVYNMSXYQALD-CQSZACIVSA-N 256.390 1.067 0 50 CDAA CC[C@H](NC(=O)c1cc(C(F)F)n(C)n1)c1ncc[nH]1 935428481 QWPPRGHXKBATKL-ZETCQYMHSA-N 283.282 1.962 0 50 CDAA CCOC(=O)c1cnc(N2CCc3ccccc3C2)nc1N 4973726 MNHBKJZXVCFZGG-UHFFFAOYSA-N 298.346 1.798 0 50 CDAA C[C@]1(CNCCc2nc(CC(=O)O)cs2)CCCCO1 2325790315 DRTKCQHJBYFBAN-CQSZACIVSA-N 298.408 1.862 0 50 CDAA CC[C@@H](C)C(=O)C(=O)N[C@@](C)(CC(C)C)C(N)=O 2325811355 RQAAYGQWXATKAL-RNCFNFMXSA-N 256.346 1.008 0 50 CDAA Cn1ncnc1CNCc1cncn1Cc1ccccc1 2325814111 WODRMLUMFJQETR-UHFFFAOYSA-N 282.351 1.350 0 50 CDAA NC1=NC(Cl)=N[C@H]2[C@H]1N=CN2Cc1ccccc1 209797 ILYXPQMNTRYUJR-GXSJLCMTSA-N 261.716 1.191 0 50 CDAA COc1ccc(S(=O)(=O)n2cccn2)cc1OC 270178 NQULWPBVKOZCMC-UHFFFAOYSA-N 268.294 1.137 0 50 CDAA O=C(N[C@@H](O)C(=O)c1cccs1)c1ccccc1 389047 FJAYIJBUZPEXHU-ZDUSSCGKSA-N 261.302 1.679 0 50 CDAA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)O 434141 KAZZPXMHIZJNFS-MRVPVSSYSA-N 252.222 1.390 0 50 CDAA biogenic CC(=O)NCC(=O)OCC(=O)c1ccc(C)c(C)c1 1851424 XQTLEAOIWIUHFL-UHFFFAOYSA-N 263.293 1.165 0 50 CDAA CCCCOc1ccccc1C(=O)NCC(=O)O 2271895 RKCDSQGXGUVMKR-UHFFFAOYSA-N 251.282 1.680 0 50 CDAA Cc1nc(=NCCn2cc(Cl)cn2)[nH]c(C)c1C 2356145145 CVQYOCSEPQIYHJ-UHFFFAOYSA-N 265.748 1.786 0 50 CDAA CCOC(=O)CCN[C@H](C)[C@H]1COc2ccccc2O1 4104219 VPEJVSUDRBRPKB-BXUZGUMPSA-N 279.336 1.758 0 50 CDAA CC(C)(C)NC(=O)[C@H]1CC(c2ccccc2O)=NO1 4505236 OXMDLZIKTPUUFK-GFCCVEGCSA-N 262.309 1.800 0 50 CDAA CC1(C)Cn2c(nc(=O)c(Br)c2N)S1 4753672 DWEPCHYENCFQCO-UHFFFAOYSA-N 276.159 1.472 0 50 CDAA biogenic,in-vitro CCOc1ccccc1C(=O)N1CCN(CC)CC1 4819681 REPNLOZJEKRLGW-UHFFFAOYSA-N 262.353 1.863 0 50 CDAA CN(C(=O)Nc1cccc(C2OCCO2)c1)[C@@H]1CCOC1 225738801 AVWYIBSERJPHHU-CYBMUJFWSA-N 292.335 1.985 0 50 CDAA CCN(CCOc1cccc(C)c1)C(=O)[C@@H](N)CC(=O)O 55053376 BJORITRFVJFHPT-ZDUSSCGKSA-N 294.351 1.024 0 50 CDAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 103075913 MRGAEXCMDNFHJM-WYUUTHIRSA-N 287.271 1.052 0 50 CDAA O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1ccccc1 113367566 PLPRUTXORDJGLX-CYDGBPFRSA-N 259.305 1.916 0 50 CDAA Cc1nc(N)nc(N/N=C/c2ccc([N+](=O)[O-])cc2)n1 22016228 UATPHLMWUWYRKW-AWNIVKPZSA-N 273.256 1.116 0 50 CDAA COc1cccc(C=O)c1OCCN1C[C@@H](C)O[C@H](C)C1 20652616 BLJGUMXPDNDKPL-CHWSQXEVSA-N 293.363 1.996 0 50 CDAA Cc1cnc(C(=O)Nc2cncnc2N2CCCC2)cn1 137361732 HUNYBDMUPQNPIM-UHFFFAOYSA-N 284.323 1.428 0 50 CDAA CCc1cnc(C)nc1N(C)CC1(CO)CCOCC1 65525678 FQTVKBQYUGJAHO-UHFFFAOYSA-N 279.384 1.573 0 50 CDAA CCN1C[C@H](CNc2nccc(C(F)(F)F)n2)CC1=O 32603489 CGDPMBHHMMWTKE-QMMMGPOBSA-N 288.273 1.776 0 50 CDAA O=C(O)[C@H]1CS[C@@H](C(=O)O)CC(c2ccccc2)=N1 187357 CNFDHDGTMZDLAH-GHMZBOCLSA-N 279.317 1.519 0 50 CDAA biogenic CC(C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1698127 WNWCQIPRIITCPM-ZIAGYGMSSA-N 285.347 1.350 0 50 CDAA biogenic COc1ncccc1C(=O)Nc1ccc(CNC(C)=O)cc1 353633775 XRFDRUPLGPPBQH-UHFFFAOYSA-N 299.330 1.979 0 50 CDAA C[C@@H](c1cccnc1)N1CCO[C@@H](CNc2cccnn2)C1 229916618 YVSVLCYLHJZVPM-ZFWWWQNUSA-N 299.378 1.746 0 50 CDAA O=[S@](Cc1ncc(C2CC2)o1)[C@@H]1CCCOC1 329570755 UPQUWHRLIKOQEE-BMLIUANNSA-N 255.339 1.980 0 50 CDAA Cc1ccn2c(NC(=O)[C@]3(C)CCCO3)nnc2c1 121980515 MYTKMSDURJWTLH-ZDUSSCGKSA-N 260.297 1.545 0 50 CDAA Cc1ncc(CN2CCNC(=O)[C@@H]2Cc2ccccc2)[nH]1 215408412 KBUDUWKDFBDHAI-HNNXBMFYSA-N 284.363 1.261 0 50 CDAA CCNC(=O)N1CC[C@@H](Cc2cccc(C(=O)O)c2)C1 72149868 RTIAVACNKUYZAD-LBPRGKRZSA-N 276.336 1.979 0 50 CDAA C[C@@H](CO)N1CCCN(c2ccncc2Cl)CC1 328593288 XCGIDELJFGXCOJ-NSHDSACASA-N 269.776 1.628 0 50 CDAA CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)[nH]1 328590642 GCOSISXNRWPCDT-KOLCDFICSA-N 275.352 1.572 0 50 CDAA CC(C)Cc1nsc(N2CCO[C@@H]3CCN(C)C[C@H]32)n1 328590767 DLCBBSLPGPZETL-VXGBXAGGSA-N 296.440 1.646 0 50 CDAA COc1ccc(/C=C/CN2CCOC[C@H](CO)C2)cc1 77300385 XHEVSPFAUWVDED-FAAWYNLUSA-N 277.364 1.649 0 50 CDAA CC1(C)CN(C[C@H](O)Cn2cccn2)[C@H]1[C@@H]1CCCO1 329856618 UWQIHDXGDOXTNC-IHRRRGAJSA-N 279.384 1.133 0 50 CDAA CCOCC(=O)N1CCO[C@@H](Cc2ccc(OC)cc2)C1 71753158 JOFQOJZEDOBBMY-HNNXBMFYSA-N 293.363 1.502 0 50 CDAA Cc1nc(CC(=O)NCCCc2nnc(N)s2)cs1 72428365 QDAUHXLYNYVOIY-UHFFFAOYSA-N 297.409 1.177 0 50 CDAA CC(C)(C)c1n[nH]cc1CN1CC[C@H](CC(N)=O)C1 368133362 IVBJMBBFXRZSAL-SNVBAGLBSA-N 264.373 1.405 0 50 CDAA CCOCCn1ncc(N2CCCCC2)cc1=O 72165032 MMSWPUFAFBPOLQ-UHFFFAOYSA-N 251.330 1.270 0 50 CDAA NC(=O)c1ccc(-c2ccc(CN3CCNCC3)cc2)cc1 32520398 AEKCDCHDYNSDOB-UHFFFAOYSA-N 295.386 1.858 0 50 CDAA CCOc1ccccc1CN(C)C(=O)[C@H]1NCCO[C@@H]1C 262010273 VNAAIQAGVBFRIH-DOMZBBRYSA-N 292.379 1.421 0 50 CDAA COCc1nc(NCc2cnc(C)cn2)c2cnn(C)c2n1 72128939 XFQAVXQCNICBNF-UHFFFAOYSA-N 299.338 1.220 0 50 CDAA Cn1nc2c(c1N)CCN(C(=O)OC(C)(C)C)C2 211645881 VROFMLOIDUXWIW-UHFFFAOYSA-N 252.318 1.296 0 50 CDAA CCNc1ncc(-c2nccn2CCn2cccn2)cn1 71771400 DXVDYHFZYHVYKP-UHFFFAOYSA-N 283.339 1.669 0 50 CDAA Cc1ccsc1C(=O)N1CCN2C(=O)CC[C@H]2C1 336259406 LYRSRBRDGWVMDZ-JTQLQIEISA-N 264.350 1.503 0 50 CDAA CN(C1CCC1)S(=O)(=O)c1cccc2c1OCCO2 173649053 POTBVPRDKMMYKQ-UHFFFAOYSA-N 283.349 1.631 0 50 CDAA C[C@@H](CNS(C)(=O)=O)Oc1ccc(Cl)cc1 173933275 GZNCBGCGZRTGSY-QMMMGPOBSA-N 263.746 1.657 0 50 CDAA C[C@@H]1CN(C(=O)Cc2cccc3ccccc23)C[C@H]1C(N)=O 284904932 SDDKWODZWDPKCV-MLGOLLRUSA-N 296.370 1.962 0 50 CDAA Cc1cc(CN2CCO[C@H](C)[C@H]2C(N)=O)c2ccccc2n1 285143443 KNGWWCMKAHIEOP-WBMJQRKESA-N 299.374 1.618 0 50 CDAA COC[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 221310775 YFHUDILEGAGURP-LLVKDONJSA-N 267.300 1.699 0 50 CDAA COc1ccc(CNC(=O)[C@](C)(O)C2CC2)cc1F 285946129 IIXISMXFYRDEGU-CQSZACIVSA-N 267.300 1.612 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CC[C@H](N)C1 426431959 OEIUZOFDMFMVMZ-VIFPVBQESA-N 260.263 1.337 0 50 CDAA O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1cn[nH]c1 175707284 USQSZDQKPVLDCQ-UHFFFAOYSA-N 287.323 1.869 0 50 CDAA CCCCOC(=O)[C@@H]1[C@@H]2C(=O)N(C(C)C)C[C@@]23C=C[C@H]1O3 226888390 IQBVDBONJLSTKR-IATRGZMQSA-N 293.363 1.520 0 50 CDAA CCc1cc(C(=O)N(C)C[C@H]2COCCO2)ccn1 221182342 XGRHLMIUKANUDJ-ZDUSSCGKSA-N 264.325 1.131 0 50 CDAA CNCc1nnc(SCC[C@H]2CC2(F)F)n1C 426518870 YJGMLQBZPWPTFJ-ZETCQYMHSA-N 262.329 1.672 0 50 CDAA Cc1c[nH]c(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)n1 91269719 UPYUGMSSGOCWFH-OAHLLOKOSA-N 299.374 1.915 0 50 CDAA Cc1ncc(C(=O)N(CCN(C)C)Cc2ccccc2)cn1 97635122 DDNCZYVZLAPMCO-UHFFFAOYSA-N 298.390 1.989 0 50 CDAA COC(=O)c1ncc2c(Br)cn(C)c2n1 238423381 RCFIKAJXBNJUFC-UHFFFAOYSA-N 270.086 1.517 0 50 CDAA CN(Cc1nc([C@@H]2CCOC2)no1)C1CCCC1 96153355 QVXBDCOUWHTZCU-SNVBAGLBSA-N 251.330 1.948 0 50 CDAA CC(C)(c1nc([C@@H]2CCOC2)no1)N1CCCC1 96162813 LYLGFAGSZNMVMM-SNVBAGLBSA-N 251.330 1.904 0 50 CDAA CCn1nc(C)c(CNC(=O)[C@@H]2CC23CCOCC3)c1C 531373241 HKTMQAVSEZMSAQ-AWEZNQCLSA-N 291.395 1.953 0 50 CDAA COCC[C@@]1(CO)CCCN(C(=O)Cc2cscn2)C1 91713573 ZMGXADLTLBBOPM-AWEZNQCLSA-N 298.408 1.323 0 50 CDAA Cc1nn(C)c2nc(NCCCN(C)C)sc12 95354984 NBNDLYWSUAEHGQ-UHFFFAOYSA-N 253.375 1.702 0 50 CDAA CCc1nc(CN(C)CCC[C@H]2CCCO2)n[nH]1 244852626 UVXLUNLOEROCKL-NSHDSACASA-N 252.362 1.758 0 50 CDAA CCC(=O)N[C@H](c1ccc(OC)nc1)[C@H]1C[C@@H](O)C1 244701237 KCQVOSLKDXPCEK-UHIISALHSA-N 264.325 1.428 0 50 CDAA COc1cccc2c1OCCCN(C[C@H]1COCCO1)C2 244626510 FNBYYUMCYCAQCZ-AWEZNQCLSA-N 293.363 1.695 0 50 CDAA CCn1nc(C)c(NC(=O)CN2CCC[C@H](N)CC2)c1C 244707796 KHRPQTPIPCWRGY-ZDUSSCGKSA-N 293.415 1.272 0 50 CDAA CS[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 247831642 LIXSAZVWEBKURA-HBNTYKKESA-N 270.398 1.255 0 50 CDAA Cc1cc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)on1 253600215 JVLBLUZEMNRUOY-YUSALJHKSA-N 264.325 1.869 0 50 CDAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)CN 299739975 UIGOCNAEAOLZRH-DZGCQCFKSA-N 275.396 1.314 0 50 CDAA CSC[C@H](C)NCC1(CN2CCN(C)CC2)CC1 534635497 DBKLUFGOJBREFS-ZDUSSCGKSA-N 271.474 1.355 0 50 CDAA O=C(CCc1cc(Cl)no1)NCC[C@H]1CCOC1 534673077 QBXVSBKKYCXBSQ-VIFPVBQESA-N 272.732 1.803 0 50 CDAA COc1ccccc1OC[C@H](C)NC(=O)NCCF 534653697 IKJWNTAHZZFQSQ-JTQLQIEISA-N 270.304 1.731 0 50 CDAA CC(C)[C@@H](NC(=O)Nc1cncc(F)c1)c1ncnn1C 299790999 CWCKJLYJPQTRLY-LLVKDONJSA-N 292.318 1.868 0 50 CDAA CCCNc1ccccc1C(=O)N[C@H]1CC(=O)N(CC)C1 391586064 WJIQPBZIULIOIP-LBPRGKRZSA-N 289.379 1.859 0 50 CDAA CCCn1nccc1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 299783425 ZGSHIBBJOGSFHI-NSHDSACASA-N 290.367 1.034 0 50 CDAA CN1CCCC[C@H]1CCC(=O)Nc1nccn1C 578484772 NBCVMBXYCGKOKQ-NSHDSACASA-N 250.346 1.623 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)CCCOCc1ccccc1 824506895 ZNJWDCFZYZRNNY-GJZGRUSLSA-N 293.363 1.513 0 50 CDAA CCS[C@H](C)C(=O)N1CCN(CC(F)(F)F)CC1 823419185 IMIRWHHEEZOZDB-SECBINFHSA-N 284.347 1.835 0 50 CDAA Cc1nn(C)c(C)c1CN(C)C(=O)c1c(C)ncn1C 584902955 ONBPJSIVRHRNKJ-UHFFFAOYSA-N 275.356 1.351 0 50 CDAA CN(Cc1cnc2ccccc2n1)[C@H]1CCNC(=O)CC1 670468964 PBKQRFWOSBKXEM-CYBMUJFWSA-N 284.363 1.730 0 50 CDAA Cc1cccc2nc(CCN(C)S(C)(=O)=O)[nH]c12 670448404 BUNHMWYRTXJAGI-UHFFFAOYSA-N 267.354 1.305 0 50 CDAA O=S(=O)(CCN1CCc2nocc2C1)c1ccccc1 670459469 ZKBABWUTJBODCA-UHFFFAOYSA-N 292.360 1.507 0 50 CDAA C[C@@H](CN1CCN(C)CC1)N1CC(Oc2ccccc2)C1 670448375 RAPFKKYXEZUKLD-HNNXBMFYSA-N 289.423 1.386 0 50 CDAA C=CC(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 1353214249 AFKGPDHQGVNXCF-GFCCVEGCSA-N 250.342 1.612 0 50 CDAA CC(C)[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C(F)(F)F 1361869395 HCBVYSLJWAAFCL-YUMQZZPRSA-N 281.278 1.233 0 50 CDAA C[C@H]1CCCC[C@H]1C(=O)NS(=O)(=O)Cc1cccnc1 408504191 XSTDZGOOCFUXDQ-WCQYABFASA-N 296.392 1.854 0 50 CDAA C[C@H](O)C(=O)N1CCC(N(C)c2ccccc2)CC1 270840239 VIZLOKMJDDOXGY-LBPRGKRZSA-N 262.353 1.495 0 50 CDAA CC(C)O[C@@H]1C[C@H](NC(=O)CCn2ccnc2)C1(C)C 274277525 NYZGJWURRJCFFP-QWHCGFSZSA-N 279.384 1.982 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)no1 275522340 XVKRXMHQIJANAZ-WCQYABFASA-N 273.292 1.638 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)c1cccc2[nH]ncc12 276473131 ZBLUAFANDRKBSC-NSHDSACASA-N 295.346 1.752 0 50 CDAA CC(C)c1ccnc(N2CCN(C(=O)C3CC3)CC2)n1 186507379 DDZCQELDEWOJQY-UHFFFAOYSA-N 274.368 1.659 0 50 CDAA NC(=O)C1CCC(CNC(=O)[C@@H]2C[C@H]2C2CC2)CC1 170024614 BUTAFBXFENCDNJ-XMTWOHMPSA-N 264.369 1.440 0 50 CDAA O=C(CC(F)(F)F)NCc1ccc2[nH]c(=O)[nH]c2c1 170594304 QFIDWXKBRCNSRQ-UHFFFAOYSA-N 273.214 1.425 0 50 CDAA CCn1nccc1/C=C/C(=O)N(CC(N)=O)C(C)(C)C 170600392 QFGRTROLYFJBQO-VOTSOKGWSA-N 278.356 1.029 0 50 CDAA O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc[nH]n1 187012824 ZPUXQFATDASVJM-UHFFFAOYSA-N 290.289 1.414 0 50 CDAA Cc1occc1CN(C)CCNC(=O)NC(C)C 577726027 JQSTXIDLTOSUOM-UHFFFAOYSA-N 253.346 1.727 0 50 CDAA Cc1nn(C)cc1NC(=O)N[C@@H]1CCCOCC1 189652027 GEXPQKNPSPJYMA-SNVBAGLBSA-N 252.318 1.419 0 50 CDAA CCN(CC(N)=O)C(=O)c1cnc(-c2ccccc2)nc1C 189720526 YFPNGBYIXOEYQA-UHFFFAOYSA-N 298.346 1.399 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CCCO1 189949808 RAVANAGUAAIWAE-AGIUHOORSA-N 284.400 1.916 0 50 CDAA Cc1nnsc1C(=O)N[C@H]1CC(C)(C)OC1(C)C 191472245 KZXRNHFTBXGERK-QMMMGPOBSA-N 269.370 1.922 0 50 CDAA Cc1csc2c(=O)n(CC(=O)[C@H]3CCCOC3)cnc12 192450811 BCOJVMNPNZVXAC-JTQLQIEISA-N 292.360 1.762 0 50 CDAA O=C(NCc1ccoc1C(=O)O)c1cc(C2CC2)on1 659198698 HQWQAWFJKQFVKQ-UHFFFAOYSA-N 276.248 1.773 0 50 CDAA CC1(C)[C@H](CN=c2ncnc3[nH][nH]cc2-3)C1(F)F 663233093 UQEKSZMRUUBNMX-ZETCQYMHSA-N 253.256 1.430 0 50 CDAA Nc1cccc2c(N3CCN4C(=O)CC[C@@H]4C3)nccc12 663759771 YRGAGQIZHPATSI-LLVKDONJSA-N 282.347 1.628 0 50 CDAA Cc1ncc(Cl)c(N2CCN(C(=O)C3CCC3)CC2)n1 1149952986 MWFUBGHXDLRTSY-UHFFFAOYSA-N 294.786 1.887 0 50 CDAA O=S(=O)(c1cccc(Br)c1)N1CCC1 38537312 WHXRPYCUEZEQJG-UHFFFAOYSA-N 276.155 1.844 0 50 CDAA in-vitro CC[C@H](C)c1cc(C(=O)NCCCC(=O)O)on1 225456668 VIKYXCBHCUWVFA-QMMMGPOBSA-N 254.286 1.783 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@@H]1CSCN1 122363590 RPSLWYAPEUOTSM-AXFHLTTASA-N 272.414 1.359 0 50 CDAA Cc1ccc(F)c(OCC(=O)N(CC(=O)O)C2CC2)c1 237770675 PFEQVJBVPVSXCD-UHFFFAOYSA-N 281.283 1.589 0 50 CDAA CCOc1ccc(OCCOCCNCCOC)cc1 3003150 FVPXUGLPQWMNDN-UHFFFAOYSA-N 283.368 1.717 0 50 CDAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3cc[nH]n3)C1)CC2 1704315663 ARUUQXDLKJEIBA-INIZCTEOSA-N 283.379 1.988 0 50 CDAA C[C@@H](NC(=O)c1ccc(C(N)=O)s1)c1ncc[nH]1 571904498 HHNBVQKLGYINFU-ZCFIWIBFSA-N 264.310 1.061 0 50 CDAA N[C@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 158097288 NSNAAWQBBBESKC-VIFPVBQESA-N 286.734 1.808 0 50 CDAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CSCN2)C1(C)C 161552861 WTXKQEUCAWIWRV-HBNTYKKESA-N 272.414 1.311 0 50 CDAA CCc1ccccc1OCCN1C[C@H]2CNC[C@@]2(CO)C1 1772705229 GAWAPFNLOXJMJS-WBVHZDCISA-N 290.407 1.142 0 50 CDAA Nc1nc(N)c2c(n1)NC(=O)C[C@@H]2c1ccc(Cl)cc1 1772491129 PZPMVPJOBVBPHY-MRVPVSSYSA-N 289.726 1.769 0 50 CDAA CCC[C@H](NC(C)=O)C(=O)N1CCC(C2(O)CC2)CC1 1772819739 RHMQIEGKNKQDHW-ZDUSSCGKSA-N 282.384 1.055 0 50 CDAA O=C(O)c1ccc(CN2C[C@@H]3COCC[C@]3(CO)C2)cc1 1772711568 VLDAEZDIZULKLL-GDBMZVCRSA-N 291.347 1.216 0 50 CDAA Cc1ccc(N([C@@H](C)C(=O)O)S(C)(=O)=O)cc1 5066845 KHGSDHQNEOJODZ-VIFPVBQESA-N 257.311 1.234 0 50 CDAA Cc1sc2nc(C)n(CCC(=O)O)c(=O)c2c1C 11945355 RRXCZEADZRBEJC-UHFFFAOYSA-N 266.322 1.858 0 50 CDAA COC(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1 14988577 RONSBNOREAZXTM-UHFFFAOYSA-N 262.265 1.881 0 50 CDAA CS(=O)(=O)c1ccccc1N1CCC(O)CC1 15443361 CPOTZOROIHZGFU-UHFFFAOYSA-N 255.339 1.051 0 50 CDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)c1cncc(N)n1 1857674509 LKJSBYFVNQAHBM-NSHDSACASA-N 289.383 1.286 0 50 CDAA C[C@H]1CCN1C(=O)c1[nH][nH]c(=N)c1-c1ccccc1 1857691200 ZVNUZAWBYNWZLF-VIFPVBQESA-N 256.309 1.724 0 50 CDAA COCc1nocc1C(=O)NC[C@]1(O)CCCC1(C)C 355775903 QVVXABJEOHVEEJ-CQSZACIVSA-N 282.340 1.492 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H](C2CC2)[C@H](CO)C2CC2)n1 408519842 NOCKLXJCVOZEFD-HIFRSBDPSA-N 291.395 1.991 0 50 CDAA CCCOC(=O)c1ccc(NC(=O)/C=C\C(=O)O)cc1 4953363 BHFNDPWCKCGESY-FPLPWBNLSA-N 277.276 1.833 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 328612009 NITJMUVRNZXCOH-SKDRFNHKSA-N 294.351 1.560 0 50 CDAA Cn1cncc1C(=O)NC[C@@]1(C)OCCc2sccc21 336447686 KBSKNYQNGARHON-CQSZACIVSA-N 291.376 1.700 0 50 CDAA N[C@@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 132624863 IZNISGZSAOIHCX-OCCSQVGLSA-N 260.337 1.250 0 50 CDAA O=C(NCCc1cccc(Cl)c1)N[C@@H]1COC(=O)C1 913903608 MJQVRGPWAZCXSC-NSHDSACASA-N 282.727 1.497 0 50 CDAA C=CC(=O)N(CC)CC(=O)Nc1c(C)nn(CC)c1C 900857587 ZWHIMOKZEOOSSI-UHFFFAOYSA-N 278.356 1.493 0 50 CDAA COCCC(=O)N1CCC[C@]2(CCc3cnc(C)nc32)C1 1704297147 IQVBUIKTJCFVQK-INIZCTEOSA-N 289.379 1.628 0 50 CDAA Cc1cnn(CCC(=O)NC[C@@](C)(CC(C)C)C(=O)O)c1 923185513 XNGUUMTYDQLPDX-OAHLLOKOSA-N 295.383 1.835 0 50 CDAA Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)cnc1N 952879484 IVUGPQNFVQWCHN-SECBINFHSA-N 269.370 1.391 0 50 CDAA c1cc(-c2nc(-c3cc[nH]n3)no2)cc(O[C@@H]2CCOC2)n1 1875286349 RETXITBBSILBNL-SNVBAGLBSA-N 299.290 1.689 0 50 CDAA O=C(Cc1ccco1)Nc1nc2c(s1)C(=O)NCC2 1875280217 AHEWAJVCJYECDC-UHFFFAOYSA-N 277.305 1.203 0 50 CDAA Oc1ccc(N2CCN(c3ccnc4ccnn34)CC2)cc1 1163811957 ZMSLEAOOZPVXPI-UHFFFAOYSA-N 295.346 1.762 0 50 CDAA OCCCNc1nc(NCCCO)nc(C2CCCC2)n1 888095633 WDIUZFKRAAZPBU-UHFFFAOYSA-N 295.387 1.118 0 50 CDAA C[C@H]1COC[C@H]1Nc1nnc(-c2ccon2)s1 895908245 HFQWOHAQBJTPPG-POYBYMJQSA-N 252.299 1.640 0 50 CDAA CC1(C)CN(C(=O)C[C@@H]2CCCO2)Cc2c[nH]nc21 1775987604 HSPSGGHIBMKDPO-NSHDSACASA-N 263.341 1.599 0 50 CDAA CCn1nc(NC(=O)[C@@H]2C[C@H](OC)CN2)cc1C1CC1 1775958983 UJBRCLJYAFKHIP-QWRGUYRKSA-N 278.356 1.096 0 50 CDAA CC(=O)Nc1ccc(C(=O)NCC2(C(=O)O)CC2)cc1 166932135 FXORUTMDZHMFKR-UHFFFAOYSA-N 276.292 1.240 0 50 CDAA C[C@H](C(=O)O)N(C(=O)Cc1ccc(O)cc1)C1CC1 262126706 KHQGWTRIZBJESE-SECBINFHSA-N 263.293 1.399 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)C1CCOCC1 670452804 JGPKVNKQEZATMP-UHFFFAOYSA-N 251.330 1.112 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccnc(C)c1 692392902 CUFUFFNWVXQCMY-CQSZACIVSA-N 278.308 1.096 0 50 CDAA CCCOCC(=O)N1C[C@H](N)CC[C@H]1C(F)(F)F 386205798 MATGRNGVAMCNOZ-BDAKNGLRSA-N 268.279 1.294 0 50 CDAA COc1cc2c(cc1OC)-c1nnnn1C(C)(C)C2 50562 HUQXPHGKGQEUTG-UHFFFAOYSA-N 260.297 1.649 0 50 CDAA O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1ccccc1 2038712 JUAPMRSLDANLAS-HOTGVXAUSA-N 294.354 1.455 0 50 CDAA biogenic,in-vitro C[C@@H]1C[C@H]1c1noc(CC(=O)NO[C@@H]2CCCCO2)n1 2325798193 VBGULRSCOUOQTH-KBVBSXBZSA-N 281.312 1.310 0 50 CDAA Cc1ccncc1CN(C)C(=O)COc1ccncc1 2325822794 PMZPTTMDPMNWNS-UHFFFAOYSA-N 271.320 1.822 0 50 CDAA CS(=O)(=O)c1cc(Cl)ccc1N1CCNCC1 154117 RJEDJYJNERXVNE-UHFFFAOYSA-N 274.773 1.153 0 50 CDAA Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N=C(N)S2)c1 169855 JIHXGZUZWRQGTM-SNVBAGLBSA-N 277.349 1.589 0 50 CDAA O=C(O)COc1ccc(NC(=O)c2ccco2)cc1 185697 DTOMBNXXWIJNMJ-UHFFFAOYSA-N 261.233 1.995 0 50 CDAA O=C1CC(=O)N2N=C(Cc3ccccc3)SC2=N1 320794 YDGCYRRSWWPPRR-UHFFFAOYSA-N 259.290 1.404 0 50 CDAA Cc1c(Cl)cccc1N[C@@H]1CS(=O)(=O)C[C@@H]1O 988928 OVRPPUYXOZPLPR-MNOVXSKESA-N 275.757 1.218 0 50 CDAA CCOC(=O)/C=C/S(=O)(=O)c1ccc(NC(C)=O)cc1 1878330 XUUCIYFOJPYKOI-CMDGGOBGSA-N 297.332 1.496 0 50 CDAA O=C(O)Cn1cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)cn1 2356135482 GVJRHBNTKVGELM-LBPRGKRZSA-N 285.303 1.238 0 50 CDAA CN(C)c1ccc(-c2ccnc(N3CCNC(=O)C3)n2)cc1 2356139104 AEPBHAVHIQHPIK-UHFFFAOYSA-N 297.362 1.146 0 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CCc1[nH]nc(CN(C)CCN2CCOCC2)c1C 20452076 BNIUPYVEPZIJTE-UHFFFAOYSA-N 266.389 1.045 0 50 CDAA CCCOc1ccc(Cc2nnnn2CC(=O)O)cc1 22107739 WYNNGCVSTNCRSM-UHFFFAOYSA-N 276.296 1.137 0 50 CDAA CNc1ncccc1C(=O)N1CCC2(CCN(C)C2)CC1 65385273 PFRXUJIEZMHCCW-UHFFFAOYSA-N 288.395 1.681 0 50 CDAA CCN1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 20608765 FEVBFGXWUGPPBI-AWEZNQCLSA-N 276.380 1.926 0 50 CDAA COCCn1cc(CN[C@@H](C)[C@H]2COC(C)(C)O2)cn1 1364672008 PEBJRZYJPHKTKS-WCQYABFASA-N 283.372 1.159 0 50 CDAA CC(C)c1nc(CNC(=O)Nc2nncs2)no1 23479132 DANOQHYXSJCBKN-UHFFFAOYSA-N 268.302 1.366 0 50 CDAA Cn1cc(C(=O)NCc2ccc3c(c2)OCCCO3)cn1 171033704 DPNPDEUOSIXZRN-UHFFFAOYSA-N 287.319 1.511 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1cc(C(=O)C2CC2)c[nH]1 1396076 OUUGNJPRXHYIFI-NSHDSACASA-N 262.309 1.516 0 50 CDAA CO[C@H]1CN(C(=O)CSCC(C)=O)CC[C@@H]1C 427480841 RESGVSHSAFJFRQ-ONGXEEELSA-N 259.371 1.192 0 50 CDAA CC1(C)[C@@H](C(=O)O)[C@H]1c1nc2ccccc2c(=O)[nH]1 216628936 FXLQOQOGOJBESS-VHSXEESVSA-N 258.277 1.747 0 50 CDAA COCc1noc(CN[C@H]2CCc3ccccc3OC2)n1 374619555 KEGJJKWDWCJNMR-LBPRGKRZSA-N 289.335 1.699 0 50 CDAA CN[C@@H]1CCCN(C(=O)[C@H](C)n2nc(C)cc2C)C1 151028527 WJZBRVXAWGUASS-QWHCGFSZSA-N 264.373 1.271 0 50 CDAA O=S1(=O)CCC[C@H](Cc2nc(-c3cncs3)no2)C1 328839427 OHVBDHBAKMRINV-MRVPVSSYSA-N 299.377 1.560 0 50 CDAA Nc1nccnc1C(=O)Nc1ccc(-c2ncco2)cc1 153229405 BLCSIDXVRVBWMI-UHFFFAOYSA-N 281.275 1.966 0 50 CDAA Cc1cc(CS(=O)(=O)N2CCC(F)(F)C2)on1 329277349 LPAWXIPBAKUZKF-UHFFFAOYSA-N 266.269 1.154 0 50 CDAA Cc1nscc1C(=O)N1CCO[C@H](c2ncon2)C1 329998920 TVWHANHUECWJOV-VIFPVBQESA-N 280.309 1.048 0 50 CDAA C[C@@H]1CN(C(=O)c2cncc(F)c2)CC[S@@](=O)C1 330328786 LYEMMWAJUNAXFR-DYBLOJMWSA-N 270.329 1.061 0 50 CDAA Cc1cc(NCCN2CCNC2=O)n2nc(C)c(C)c2n1 72480020 MHJJMUABCOJLGY-UHFFFAOYSA-N 288.355 1.092 0 50 CDAA CCc1ocnc1C(=O)N1CCOC[C@H]1CCOC 330920927 PTAYSGGPJGSIMV-SNVBAGLBSA-N 268.313 1.115 0 50 CDAA CC[C@@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H](C)O1 171880762 CPUYFMSINCEHPD-BXKDBHETSA-N 265.357 1.595 0 50 CDAA CC(C)(C)c1cc(C(=O)N[C@H](C(=O)O)C2CC2)[nH]n1 262159819 OXRQLQBXCCJPKU-JTQLQIEISA-N 265.313 1.300 0 50 CDAA COc1ccc(C(=O)NC[C@@H](C)C(=O)O)c(C)c1 262493323 GQNSHORRKMUWLA-SECBINFHSA-N 251.282 1.454 0 50 CDAA CN(Cc1ccoc1)C(=O)[C@@H]1CCc2nncn2C1 336418637 NDRFVVGDSJPWKM-LLVKDONJSA-N 260.297 1.092 0 50 CDAA Cc1nc(=NC(=O)NCC2CCC(F)(F)CC2)o[nH]1 333470655 FUPYGRRYFQIQDC-UHFFFAOYSA-N 274.271 1.747 0 50 CDAA Cc1cc(F)c(C(=O)N(CC(=O)O)C2CC2)cc1F 237648524 SZKSJETVFNTCLY-UHFFFAOYSA-N 269.247 1.962 0 50 CDAA O=S(=O)(CCN1CCc2ccccc2C1)C(F)(F)F 19902445 KTLHAJXVGACZCK-UHFFFAOYSA-N 293.310 1.979 0 50 CDAA Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)oc1C 334759831 ABSZQYRROFSPBC-AAEUAGOBSA-N 297.376 1.688 0 50 CDAA C[C@H](NC(=O)C(=O)N1CCO[C@H](C)C1)c1ccccc1 283226257 OUSFGHZSNIBPAG-NEPJUHHUSA-N 276.336 1.111 0 50 CDAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)Cc1ccccc1 131752419 CLDFDRABCLSAAF-WCQYABFASA-N 268.382 1.328 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CN1CCCC1 221184003 WQVUOVPNLSPKSN-SNVBAGLBSA-N 264.373 1.310 0 50 CDAA COCCn1cncc1CNC(=O)CC1=CCCC1 426514656 MPKAVXFPSUWUHW-UHFFFAOYSA-N 263.341 1.646 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCN(CC3CC3)CC2)o1 223774894 NSPMYEAONLGFHF-UHFFFAOYSA-N 276.336 1.116 0 50 CDAA CCOC(=O)Cc1c(C)n(O)c2ccccc2[n+]1=O 136611764 IHILMIQKLKUVNY-UHFFFAOYSA-N 263.273 1.207 0 50 CDAA CC[C@@H](NC(=O)CN(C)Cc1ccncc1)[C@H]1C[C@H](O)C1 222561534 BDXVGYRYTQWPOF-QLFBSQMISA-N 291.395 1.179 0 50 CDAA Cc1ccc(F)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225786719 PDOYOFIPRBTXAS-NDBYEHHHSA-N 291.278 1.727 0 50 CDAA Cc1cccc(CNC(=O)N2CCC[C@H]2Cn2cccn2)n1 426628794 QUAOAUYAPSQBEE-HNNXBMFYSA-N 299.378 1.961 0 50 CDAA COCCCNS(=O)(=O)c1ccc(Cl)c(C)c1 41095554 BJLNIQRVGJEULY-UHFFFAOYSA-N 277.773 1.963 0 50 CDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCC(F)(F)F 426465106 FTKRVOBSQULSOG-SECBINFHSA-N 290.289 1.029 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)N2CCC[C@@H](O)CC2)c1 426562883 KYNPMDSMTREVPV-GFCCVEGCSA-N 293.319 1.380 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C12CCCC2 230106426 QEENHSNAJVUHIH-YNEHKIRRSA-N 294.395 1.319 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1cccc2cccnc12 426486527 WISAJOMBXKRNNZ-TZMCWYRMSA-N 295.342 1.785 0 50 CDAA CCC[C@H]1CN(C(=O)c2csc(NC)n2)C[C@@H]1N 91819571 LJQRGKSCIANHLA-IUCAKERBSA-N 268.386 1.384 0 50 CDAA Cc1ccc2nc(C(=O)NCCCn3ccnn3)cn2c1 91625402 GREDJCBTJDXGAX-UHFFFAOYSA-N 284.323 1.054 0 50 CDAA CCc1cnc(NCCN2CCC[C@@H](CO)C2)nc1 95354988 LQACNSLGVALLHL-CYBMUJFWSA-N 264.373 1.155 0 50 CDAA O=C(O)c1ccc(CN2CCCC[C@H]2CCO)nc1 94762117 RXFZTYUDOUBFQP-ZDUSSCGKSA-N 264.325 1.517 0 50 CDAA CCOc1ccccc1CN1C[C@H](CO)[C@H](CN(C)C)C1 91411046 FIYWZXGMCDPTAU-HZPDHXFCSA-N 292.423 1.687 0 50 CDAA COC[C@@H]1CN(Cc2ccc3cn[nH]c3c2)CCO1 179800920 MWFXZRSVIJKOGP-ZDUSSCGKSA-N 261.325 1.410 0 50 CDAA CC(C)n1nc([C@H]2CCOC2)nc1CNC1CC1 97529035 XXTQWOXADMMHAK-JTQLQIEISA-N 250.346 1.615 0 50 CDAA C[C@@H]1CN(CNC(=O)c2ccccc2O)C[C@@H](C)O1 96026509 VFOPEGFUFUWRGZ-GHMZBOCLSA-N 264.325 1.189 0 50 CDAA CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](O)C(F)(F)F)CC2 181715416 CCENWSOZKFLRMB-OUAUKWLOSA-N 297.317 1.162 0 50 CDAA O=C(NCCc1nc2c(s1)CCCC2)c1cnc[nH]1 244734580 NIFQLCNDPIJEEE-UHFFFAOYSA-N 276.365 1.718 0 50 CDAA C[C@@H](C(=O)Nc1ccccn1)N1CCC2(CCO2)CC1 252497512 QJSSNPHOLPMAFG-LBPRGKRZSA-N 275.352 1.664 0 50 CDAA COC(=O)c1cnc(Cl)nc1N[C@H]1CC[C@H](O)CC1 253533616 SECNSRAEJAMXEI-ZKCHVHJHSA-N 285.731 1.632 0 50 CDAA COc1ccc2oc(CNC(=O)[C@@H]3CCOC3)nc2c1 534641527 YRMDQKOQSDBANH-SECBINFHSA-N 276.292 1.489 0 50 CDAA CC(C)Oc1cc(N[C@@H]2CC=CC[C@H]2C(N)=O)nc(N)n1 534664257 BAZODEPICVSZSV-NXEZZACHSA-N 291.355 1.078 0 50 CDAA CC(C)CS(=O)(=O)CC(=O)N1CCc2ccncc21 272379969 DODMNKBQWMPSAP-UHFFFAOYSA-N 282.365 1.042 0 50 CDAA CN1CCC[C@@H](C(=O)Nc2ccnn2Cc2cccnc2)C1 1940196348 DUCSYUVAEFUJLI-CQSZACIVSA-N 299.378 1.607 0 50 CDAA O=C(NC[C@H]1OCCc2ccccc21)Nc1cnns1 299789887 AODISHZLVUQRTJ-LLVKDONJSA-N 290.348 1.974 0 50 CDAA CC(C)c1nnc([C@H](C)NC(=O)c2cnc(O)cn2)o1 299780388 AKDKOJVOTXAYLL-ZETCQYMHSA-N 277.284 1.180 0 50 CDAA CC(C)(O)CCN1CCC(CNC(=O)c2ccon2)CC1 828196598 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CHPCFIQKZXUBRX-UHFFFAOYSA-N 266.341 1.349 0 50 CDAA Cc1ccc(COC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 16579252 NAFHMESIBRXAPD-BFYDXBDKSA-N 293.407 1.982 0 50 CDAA COc1ccc(OCCCN2CCOCC2)cc1 19607614 SQFYCARILXUJHL-UHFFFAOYSA-N 251.326 1.796 0 50 CDAA C[C@H]1CC(C)(C)NCCN[C@@H](C)CC(C)(C)NCCN1 19939481 XHCNINMOALIGKM-KBPBESRZSA-N 284.492 1.473 0 50 CDAA Cc1ncn(C)c1-c1nc(CC(C)C)nn1CCCO 1857717686 SYNJRNCVXWNCQT-UHFFFAOYSA-N 277.372 1.568 0 50 CDAA CCc1ccc(CN(C)C(=O)[C@H]2C[C@@H](N)[C@H](O)C2)cc1 1857725703 IYNJKDGQEBSXCE-RRFJBIMHSA-N 276.380 1.306 0 50 CDAA C/C(=C\c1ccccc1)CNC[C@H]1CCNC[C@@H]1O 215469588 DRGCIDMDCVBBQC-MIAKERSBSA-N 260.381 1.650 0 50 CDAA Cc1cccc(C)c1CCNC(=O)N[C@H]1C[C@@H](O)C1 458562181 XRQCSIQIVLGXLU-BETUJISGSA-N 262.353 1.668 0 50 CDAA COC(=O)[C@@H](CCC(=O)O)NC(=O)OCc1ccccc1 1873093 BGMCTGARFXPQML-LLVKDONJSA-N 295.291 1.319 0 50 CDAA in-vitro CC[C@H](C(=O)N[C@@H]1CCO[C@H]1C1CC1)N1CCCC1=O 333198122 WUUYAASZMMCGDH-BZPMIXESSA-N 280.368 1.071 0 50 CDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCCN2)c(C)c1 237324489 DCJVVZKHYVQHOX-GFCCVEGCSA-N 298.408 1.424 0 50 CDAA C[C@@H]1CN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 243893013 ANKWUKCNMZCSMB-BPXZUEPWSA-N 297.439 1.909 0 50 CDAA C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@H]1CCCO1 133386695 ONVVRBYRXHZWFZ-VHDGCEQUSA-N 292.379 1.457 0 50 CDAA COc1ncccc1-c1noc([C@]2(C)CCCNC2=O)n1 349999102 IMDXKNXFCKVXAD-CQSZACIVSA-N 288.307 1.308 0 50 CDAA CN1C[C@@H](NC(=O)c2ccc[nH]2)CC[C@@H]1C(F)(F)F 583620083 UYAJOPNEOJDXLT-WCBMZHEXSA-N 275.274 1.770 0 50 CDAA Cc1cc(=Nc2cnn(CCO)c2)[nH]c(-c2ccccn2)n1 591653153 DIPHTMWBPNYNST-UHFFFAOYSA-N 296.334 1.201 0 50 CDAA O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCNC1 163460893 HAMRNOHFHZIBRE-SECBINFHSA-N 274.349 1.753 0 50 CDAA c1cncc([C@@H]2CNCCN2Cc2n[nH]c3c2COCC3)c1 903746369 GJJUZHBSZIHXMU-INIZCTEOSA-N 299.378 1.024 0 50 CDAA Cc1cc(Cn2cc(C[C@@H](O)c3ccccc3)nn2)no1 849141865 KNKZURNTWNHCPF-OAHLLOKOSA-N 284.319 1.899 0 50 CDAA CC(C)ONC(=O)c1ccc(CN2CCCC2)o1 1141476049 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0 50 CDAA O=C(O)[C@H]1CSCCN(C(=O)c2cccc(O)c2)C1 910145906 FSBLOHQLPAMEKM-SNVBAGLBSA-N 281.333 1.282 0 50 CDAA CN(C(=O)[C@H](N)CCc1ccccc1)C1CCOCC1 131722310 AJPCHGPNUQPMTP-OAHLLOKOSA-N 276.380 1.584 0 50 CDAA Cc1cc(C)n(C(=O)CNC(=O)c2ccc(F)cc2)n1 186782 HAEYDTWWBLQVOD-UHFFFAOYSA-N 275.283 1.709 0 50 CDAA COC(=O)NCc1ccc(CNC(=O)OC)cc1 213882 FMFPRSAHOQBOCK-UHFFFAOYSA-N 252.270 1.399 0 50 CDAA O=C(c1ccnnc1)N1CCC(OC(F)(F)F)CC1 2356142574 XZQNMOJJUJHTFP-UHFFFAOYSA-N 275.230 1.618 0 50 CDAA COc1cc2c(cc1-c1ncc(C)c(=N)[nH]1)OCO2 2356151043 NXTAOWYXIWVZHR-UHFFFAOYSA-N 259.265 1.602 0 50 CDAA O=C(O)C1CCN(S(=O)(=O)c2cccs2)CC1 3865021 UHLPQMBGBPAJFX-UHFFFAOYSA-N 275.351 1.233 0 50 CDAA O=c1c2ccccc2nnn1Cc1ccc2c(c1)OCO2 4109939 DEVSVFFQTNXOJK-UHFFFAOYSA-N 281.271 1.569 0 50 CDAA CC[C@@H](C)NC(=O)[C@H]1CC(c2ccccc2O)=NO1 4505231 WZOFUGXFIVPXPH-NOZJJQNGSA-N 262.309 1.800 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)cc1 4815639 WHVKFJSZJNUDTA-SNVBAGLBSA-N 271.280 1.109 0 50 CDAA Cc1ccc(C(N)=O)cc1S(=O)(=O)N1CCCCCC1 4840087 LZSGHLWXWDAGDD-UHFFFAOYSA-N 296.392 1.659 0 50 CDAA CCC(=O)Oc1ccc(C(=O)NC[C@H]2CCCO2)cc1 4841796 IWXZXGRCLPJHNH-CYBMUJFWSA-N 277.320 1.911 0 50 CDAA CCN1CCC(NCc2ccc3c(c2)OCO3)CC1 4989487 QFEAWYUHUIPEQP-UHFFFAOYSA-N 262.353 1.989 0 50 CDAA O=C(O)Cc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 101901188 YXCSCYFTUQFQGM-UOVKNHIHSA-N 299.326 1.849 0 50 CDAA CN(C)C(=O)N1CCC(Nc2nccs2)CC1 132846304 BJINEFMGXWZSDL-UHFFFAOYSA-N 254.359 1.701 0 50 CDAA C[C@H](Sc1nncn1C)C(=O)Nc1nccs1 9225673 XNEMFVGERXKULJ-LURJTMIESA-N 269.355 1.391 0 50 CDAA CCCn1c(NC(=O)[C@]2(O)CCOC2)nc2ccccc21 413321630 HKNIHKYHVUDWBX-HNNXBMFYSA-N 289.335 1.536 0 50 CDAA COc1ccc(-c2nc(-c3ccncc3)no2)nn1 225407252 LXMNVQBOQNYCEO-UHFFFAOYSA-N 255.237 1.597 0 50 CDAA COc1ccc(C[C@@H](C)N2CCN(C=O)CC2)cc1 23283127 WMUFINUBDHLEBE-CYBMUJFWSA-N 262.353 1.400 0 50 CDAA Cc1occc1-c1cc(=NC(=O)NCC[C@H](C)N)[nH]o1 415614151 SNUHBVXUYPYASW-QMMMGPOBSA-N 278.312 1.524 0 50 CDAA CCNS(=O)(=O)[C@@H]1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)C1 245781251 YVKCFNPTVYETHW-IGQOVBAYSA-N 284.425 1.212 0 50 CDAA Cc1nc2[nH]c(C)c(Cc3ccccc3C)c(=O)n2n1 100131686 BUNYVARCZMAPLZ-UHFFFAOYSA-N 268.320 1.934 0 50 CDAA C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N(C)C)C[C@@H](C)N1 246668697 FFVDZFSBPSKDOB-NFAWXSAZSA-N 275.396 1.498 0 50 CDAA CCn1cc(C(=O)N2CCN(C)CC2)c(=O)c2ccccc21 23119871 LXRDYIXFROUYCN-UHFFFAOYSA-N 299.374 1.409 0 50 CDAA COc1ccc(Cn2c(-c3ccco3)n[nH]c2=O)cc1 65374299 KSRAFOWGEHCJDS-UHFFFAOYSA-N 271.276 1.888 0 50 CDAA O=C(Cc1ccsc1)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 250163608 IUWGLUXQRKSBOL-YRRQLQLVSA-N 279.361 1.906 0 50 CDAA CN(Cc1ncc[nH]1)c1cc(N2CCCC2)nc(N)n1 65385701 ZMLDQGJFTGBCMV-UHFFFAOYSA-N 273.344 1.019 0 50 CDAA C[C@@H](Cc1nc2c([nH]1)CC(C)(C)CNC2=O)N1CCCC1 65428486 TXTHDBKKUWTCPS-NSHDSACASA-N 290.411 1.749 0 50 CDAA CCC1(O)CCN(c2ccnc(N3CCOCC3)n2)CC1 353260493 BYSQSFOVHSNMHQ-UHFFFAOYSA-N 292.383 1.055 0 50 CDAA COc1ccc(CC(=O)O[C@H]2CCCN(C)C2)cc1 250416 LQYCBEYRAHDIRD-AWEZNQCLSA-N 263.337 1.875 0 50 CDAA biogenic CC(C)(C)OC(=O)N1CC[C@H](N2CC(C(=O)O)C2)C1 39952120 HEQCPYIGHNGSPF-JTQLQIEISA-N 270.329 1.012 0 50 CDAA O[C@@]1(CNCCCSCc2ccco2)CCCNC1 72479173 WFUXDVYTHTXYFS-AWEZNQCLSA-N 284.425 1.607 0 50 CDAA NC(=O)c1noc([C@@H]2CCCN2Cc2ccco2)n1 328645698 SIBGMMRFNVFMEH-VIFPVBQESA-N 262.269 1.099 0 50 CDAA O=C(Nc1ccc2nc(S)[nH]c2c1)c1cn[nH]c1 121739332 ZENBGNRLTUKFHC-UHFFFAOYSA-N 259.294 1.827 0 50 CDAA CC[C@H]1COCCN1C(=O)c1cncc(Cl)c1 77339927 WQVNTJWRYKVOEV-NSHDSACASA-N 254.717 1.986 0 50 CDAA O=C(N[C@@H]1CCCOC1)c1cncn1-c1ccc(F)cc1 171693985 KQRBHVDRXTVMAE-GFCCVEGCSA-N 289.310 1.920 0 50 CDAA COC[C@H](C)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 124112804 ZZDKSZZJIOIJHA-NSHDSACASA-N 288.351 1.726 0 50 CDAA O=C(NCC1(COc2ccccc2)CC1)[C@@H]1CCCN1 71748007 DFCYKALVHIMXIQ-AWEZNQCLSA-N 274.364 1.714 0 50 CDAA Cc1cc2c(N3CCn4ccnc4C3)nccn2n1 330051908 OFIBQRKFESIQMI-UHFFFAOYSA-N 254.297 1.254 0 50 CDAA C[C@H](c1nnnn1C1CC1)N1CCOC[C@H](C2CCC2)C1 330278117 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CC[C@H]1C(=O)NCCN1Cc1coc(C(C)C)n1 216332673 JNJLLMOPSVCBAW-NSHDSACASA-N 251.330 1.508 0 50 CDAA O=C(Nc1ccc(F)cc1Cl)[C@H]1CNCCO1 43707910 JZGWFMJSHFOHCU-SNVBAGLBSA-N 258.680 1.406 0 50 CDAA CCn1ccc(C(=O)NC(C)(C)c2nnc(N)s2)n1 215444089 NAMHRHWTEADDCW-UHFFFAOYSA-N 280.357 1.002 0 50 CDAA COc1c(F)cccc1CN1C[C@@H]2CN(C)C[C@@H]2C1 215295279 COXNZJJNJMEXIS-BETUJISGSA-N 264.344 1.828 0 50 CDAA C[C@H]1CCCN(C(=O)/C=C/C2CCOCC2)[C@H]1CN 237682168 PVXPDIPTOKQNQN-ZWYFHCDOSA-N 266.385 1.555 0 50 CDAA C[C@]1(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCCCN1 237795032 YFWMAOXBHLHEOV-DZGCQCFKSA-N 291.399 1.049 0 50 CDAA CN1C[C@@H](NC(=O)N[C@@H]2CCC23CCCC3)CC1=O 334537683 WSESYUCAPPJFBI-WDEREUQCSA-N 265.357 1.239 0 50 CDAA Cc1cnc(C)c(N2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)n1 77419741 FIBLTSJHSIFUQJ-ZDUSSCGKSA-N 299.378 1.869 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cc[nH]c2)C1 284592460 PCQSYKWGZSWWHQ-KBPBESRZSA-N 277.368 1.226 0 50 CDAA CN(C(=O)c1cncc(N2CCOCC2)c1)c1cccnc1 339794635 KLLRSSLYPIGMDJ-UHFFFAOYSA-N 298.346 1.590 0 50 CDAA Cn1cnc2c1c(=O)n(CCC[Si](C)(C)C)c(=O)n2C 195804965 COXAVPHEHVHCMZ-UHFFFAOYSA-N 294.431 1.162 0 50 CDAA COCCC(=O)N(C)Cc1cc(-c2ccncc2)no1 82161670 YZIBJBNZAHGXTM-UHFFFAOYSA-N 275.308 1.732 0 50 CDAA CO[C@@H]1COCC[C@H]1Nc1cc(OC(C)C)nc(N)n1 222973330 WYUAVGDTHSZHEQ-NXEZZACHSA-N 282.344 1.062 0 50 CDAA Cc1cscc1C(=O)N1CC[C@@H](N2CCOCC2)C1 176920067 KBAPRUAWQTXKRD-GFCCVEGCSA-N 280.393 1.603 0 50 CDAA CNS(=O)(=O)c1cc(C)c(Br)cc1C 41105640 XJTIGOPIFOLRJN-UHFFFAOYSA-N 278.171 1.974 0 50 CDAA C[C@@H](c1ccncn1)N(C)C(=O)CCCn1cccn1 220535257 OMVGKSZISLXWOP-LBPRGKRZSA-N 273.340 1.673 0 50 CDAA O=C(O)Cc1ccc(Br)cc1C(=O)O 85221335 VFYONOBJKYTLNC-UHFFFAOYSA-N 259.055 1.774 0 50 CDAA Cc1ccn2c(C(=O)NCCCc3ccco3)nnc2n1 426428855 GUHSHYKFXQSUBH-UHFFFAOYSA-N 285.307 1.388 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@H]2C(=O)O)c(=O)n(C)c1C 426518212 FFZKWRUXTKCZDO-LBPRGKRZSA-N 292.335 1.081 0 50 CDAA Cn1/c(=N\C(=O)C[C@H]2COC(=O)C2)sc2ccccc21 178468262 DJAGMQRATXDABY-ASLCJXLESA-N 290.344 1.620 0 50 CDAA O=C(NC[C@@H]1CCOc2ccccc2C1)N1CCOCC1 95389118 XXFMHMDAFQJMHJ-CYBMUJFWSA-N 290.363 1.670 0 50 CDAA Cc1ccc(N2CCC[C@H](C(=O)c3nccn3C)C2)nn1 95529532 DFGBWOHOTNPGTI-LBPRGKRZSA-N 285.351 1.618 0 50 CDAA CC(=O)N1CCN(Cc2cc(F)ccc2C)C[C@H](O)C1 91586484 QGVVECUPPVGIEX-HNNXBMFYSA-N 280.343 1.159 0 50 CDAA C[C@H](O)C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1 95516464 PANMHMKTFPTBAF-JTQLQIEISA-N 271.320 1.342 0 50 CDAA O=C(Nc1[nH]nnc1C(=O)N1CCCC1)[C@@H]1C[C@@H]2C[C@@H]2C1 622878187 OKYLSFGUKCZCGG-MYJAWHEDSA-N 289.339 1.025 0 50 CDAA CC(C)C[C@H](CN)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 299739309 NFYBWFJPNXYVLH-MCIONIFRSA-N 269.433 1.549 0 50 CDAA COc1cccc(CN2C[C@H](F)C[C@H]2C(N)=O)c1F 299743146 JXZDGLLMDXCTJA-ZJUUUORDSA-N 270.279 1.232 0 50 CDAA Cc1cncc([C@@H](C)NC2CCN(S(C)(=O)=O)CC2)c1 184271272 DEBXDJRJMJDLTR-GFCCVEGCSA-N 297.424 1.465 0 50 CDAA CC(C)(C)OC(=O)NCc1ccc(N)c(C(=O)O)c1 113908837 UOMMXQUETNKYCM-UHFFFAOYSA-N 266.297 1.992 0 50 CDAA Cc1nc(=N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)s[nH]1 585132737 QYPJZZSXLLMJNA-QWRGUYRKSA-N 299.783 1.428 0 50 CDAA Cn1ncc2c(=O)n(C3Cc4ccccc4C3)cnc21 584896580 QRSMTRIEAQIAIY-UHFFFAOYSA-N 266.304 1.470 0 50 CDAA Cc1nc2ccc(CC(=O)N[C@@H](C)c3ncnn3C)cc2[nH]1 670451531 WJZZJRFOBPEDLO-VIFPVBQESA-N 298.350 1.420 0 50 CDAA CCSC[C@@H](C)NCCc1nc(N)cc(O)n1 584891598 ZUSUJHRTYDKVEF-MRVPVSSYSA-N 256.375 1.038 0 50 CDAA C[C@@H](NS(=O)(=O)N1CCCC1)C1=CCCCC1 670463582 KPMRXPKWMHZOKT-LLVKDONJSA-N 258.387 1.806 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cc[nH]c1C 584900530 YQYOUIDCPRZOJZ-STQMWFEESA-N 265.357 1.161 0 50 CDAA CC(C)(C)CC(=O)N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1ccnn1 685940858 XHNHECRRGQMADG-AXFHLTTASA-N 294.355 1.235 0 50 CDAA Cn1cccc1CCNC(=O)c1nnc(O)c2ccccc12 952981168 KTXKYBJKHRFMQI-UHFFFAOYSA-N 296.330 1.646 0 50 CDAA CSCCN1CCC(NC(=O)[C@H]2CC2(C)C)CC1 952978255 YCLYDXSSUXPGAA-GFCCVEGCSA-N 270.442 1.976 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)C2CC2)C1 958528666 YNRQQSMQLYYSCJ-RISCZKNCSA-N 270.373 1.486 0 50 CDAA COc1ccc(NC(=O)[C@@H]2CCCO2)cc1C(=O)N(C)C 952872896 RDZLPNCPVUTLDI-ZDUSSCGKSA-N 292.335 1.515 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](CN)C(F)(F)C1 95628877 WYFLAUNQWVXXHB-MRVPVSSYSA-N 250.289 1.837 0 50 CDAA in-vitro CCc1nc(N2C[C@H](C)[C@@](O)(C3CC3)C2)ncc1C 1565516024 AHJGGXSEPXCPLX-XHDPSFHLSA-N 261.369 1.945 0 50 CDAA O=C(O)CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 268946815 PFJHATMMYRALPK-LBPRGKRZSA-N 279.292 1.059 0 50 CDAA Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC(O)C1 164361653 MFSOVZIMDIANFR-UHFFFAOYSA-N 291.738 1.651 0 50 CDAA CCOCCN(C)C[C@@H]1CN(c2ccccc2)CCO1 408522622 KQJHKGIUTDPICC-MRXNPFEDSA-N 278.396 1.860 0 50 CDAA CC(C)C[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C(=O)O 630124342 HNOSDYWKNNXDIJ-ONGXEEELSA-N 267.329 1.204 0 50 CDAA CC[C@]1(C)NC(=O)N(c2ccc3c(c2)N(C)CCO3)C1=O 277904797 AINISRWGCJAGIT-HNNXBMFYSA-N 289.335 1.740 0 50 CDAA CCC[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1nnn[nH]1 170025053 SMWZCYMHCOMPBI-GFCCVEGCSA-N 299.334 1.633 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CCC=C(c3ccco3)C2)O1 574703289 CIFDBTDDZKFFON-QWHCGFSZSA-N 291.303 1.528 0 50 CDAA COc1ccc(F)c2[nH]c(C(=O)NC3COC3)cc12 634259873 ZUJSJSINWNAVQW-UHFFFAOYSA-N 264.256 1.444 0 50 CDAA CCc1ccnc(C(=O)NCc2cnc(C)[nH]c2=N)c1 556842567 YHMLKLYNGVDCEM-UHFFFAOYSA-N 271.324 1.085 0 50 CDAA CCn1cc([C@@H]2CN(CC(F)(F)F)CCO2)cn1 190801067 PYMYIQANICZMJO-JTQLQIEISA-N 263.263 1.839 0 50 CDAA CC(C)c1noc2ncc(C(=O)NCCn3ccnc3)cc12 192708315 XEXRABUSWNYVJW-UHFFFAOYSA-N 299.334 1.973 0 50 CDAA Cn1ccc(CCNS(=O)(=O)CCC2CCCCC2)n1 562721302 YDVJTAHTHWGSCJ-UHFFFAOYSA-N 299.440 1.852 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CC1(Cl)Cl 195529518 UGPZJIDTZQNUFP-RITPCOANSA-N 252.097 1.256 0 50 CDAA Cc1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)ccc1F 585085457 RJHXCUIVFWLJPI-KBPBESRZSA-N 252.333 1.241 0 50 CDAA CC(C)(C(=O)N1CC[C@@H](CCO)C1)N1CCCCC1 585129302 FDPWHICCCYXJSG-ZDUSSCGKSA-N 268.401 1.482 0 50 CDAA Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cnn1C1CCCC1 1607510066 WAOJVVXWUDXDSU-PHIMTYICSA-N 291.351 1.900 0 50 CDAA CC(C)Cn1nccc1C(=O)N1CCC[C@]12CCOC2 1615046958 SJQSLWZWHLARCA-OAHLLOKOSA-N 277.368 1.934 0 50 CDAA CCc1nc(N2CCNC(=O)[C@@H]2C)c2scc(C)c2n1 1615054900 CDVDCYYWKPEPHN-VIFPVBQESA-N 290.392 1.887 0 50 CDAA C[C@H](CO)NC1CC2(C1)C[C@H]2NC(=O)OC(C)(C)C 1616035283 VXIYRVUSOYESAT-FQYCYVTBSA-N 270.373 1.403 0 50 CDAA CCc1nnc(CNC(=O)[C@@H](N)[C@@H](C)CC)s1 220591604 LEHFZOUZLNVIMQ-XVKPBYJWSA-N 256.375 1.090 0 50 CDAA CC(C)CN1CCN(CCCn2cccc2)C[C@@H]1CCO 1529180618 FQEPCWKHPPUSPQ-KRWDZBQOSA-N 293.455 1.903 0 50 CDAA Cc1ccccc1NC(=O)CCN1C(=O)CCC1=O 7070019 WJFVFGANSDAOLB-UHFFFAOYSA-N 260.293 1.473 0 50 CDAA Cc1conc1CNC(=O)CC1CCC(C(=O)O)CC1 1615588629 RUOMEHAWCQIQLO-UHFFFAOYSA-N 280.324 1.880 0 50 CDAA O=c1c2c(F)cccc2ncn1CCOCC(F)F 252479800 BMXOTDCFTGOIKJ-UHFFFAOYSA-N 272.226 1.817 0 50 CDAA CCc1cnc(N2CCN(CC(F)(F)F)CC2)nc1 1704326340 VOBXNSHBDJLERZ-UHFFFAOYSA-N 274.290 1.723 0 50 CDAA CCN1CCN(Cc2cn(C(C)(C)C)nn2)[C@H](C)C1=O 361602320 IZVTVGGCXUVGMG-LLVKDONJSA-N 279.388 1.086 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2ccns2)CC12CCOCC2 1800411962 RJPLMKUPILFLKN-SECBINFHSA-N 296.348 1.097 0 50 CDAA Cc1cc(N2C[C@H]3C[C@@H](O)[C@H]3C2)nc(N2CCCC2)n1 1772709964 NHEQBPIWLFUIFX-FRRDWIJNSA-N 274.368 1.202 0 50 CDAA NC(=O)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 1775973079 IZIAEIDBLCLYCJ-SNVBAGLBSA-N 278.699 1.302 0 50 CDAA CCn1ccnc1CN(C)C[C@H]1CCC(=O)N(C(C)C)C1 1775979547 JXJFFOQNOGEJEJ-CQSZACIVSA-N 292.427 1.982 0 50 CDAA Cc1cccc(CN2CCC[C@@](O)(CN(C)C)C2=O)c1 14981610 HDLPWILQYZLWQD-MRXNPFEDSA-N 276.380 1.410 0 50 CDAA COc1ccc(CC(=O)O[C@@H](C)CN2CCOCC2)cc1 19456369 HUJFTHYFPMSUJB-ZDUSSCGKSA-N 293.363 1.502 0 50 CDAA Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCN(C)CC1 19781592 GJMGVZHQCMTAAE-AWEZNQCLSA-N 298.814 1.636 0 50 CDAA Cc1ccsc1CCN1C(=O)C[C@H]2NCC[C@H]21 1857688607 SDBQBJGJXGCWSA-GHMZBOCLSA-N 250.367 1.562 0 50 CDAA COc1ccc(CCN2C(=O)C[C@H]3NCC[C@H]32)cc1OC 1857690312 GKCKBYVOMHHPMF-CHWSQXEVSA-N 290.363 1.209 0 50 CDAA Cc1c[nH]c(-c2nccn2-c2cnn(CCCC(N)=O)c2)n1 1857693776 MDNSZPJWEAXXOQ-UHFFFAOYSA-N 299.338 1.033 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1Cc1cc(-c2ccco2)on1 1857705770 VAMVQJMUDPWLAG-GHMZBOCLSA-N 273.292 1.397 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@@H](C)N1 153396738 BAJHCNVKPKOBNI-CHWSQXEVSA-N 288.395 1.504 0 50 CDAA O=C(c1ccsc1)N1CCCS(=O)(=O)CC1 408009142 PNMFGNBDPHJCKG-UHFFFAOYSA-N 259.352 1.009 0 50 CDAA COc1cc(F)cc(CN2CCC[C@](O)(CC(N)=O)C2)c1 643747620 KMQPMKNMLUKJPP-HNNXBMFYSA-N 296.342 1.037 0 50 CDAA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2cc[nH]c2)nn1 643903459 WRXPGFRAUXFHIN-ZDUSSCGKSA-N 285.351 1.848 0 50 CDAA C[C@H](NC(=O)N1CC[C@@](C)(F)C1)c1nnc2n1CCCC2 336470236 ACIQUPDKBGKHFG-IINYFYTJSA-N 295.362 1.819 0 50 CDAA NC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1 247778756 ZKVXTKYHODRKHU-LSDHHAIUSA-N 284.363 1.574 0 50 CDAA Cc1cc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)on1 247952578 YVUIFEQCYSAXKU-NEPJUHHUSA-N 250.298 1.526 0 50 CDAA C[C@@H]1CC[C@H](Nc2ccn(CCC(N)=O)n2)C[C@H]1C 253370465 RFWUWVXZBDGAHS-UTUOFQBUSA-N 264.373 1.995 0 50 CDAA O[C@@H](COc1ccc2c(c1)CCC2)CN1CCOCC1 19957456 NZRUJSPPYSVHTK-OAHLLOKOSA-N 277.364 1.247 0 50 CDAA CCOc1cc(N2C[C@@H](COC)OC(C)(C)C2)ncn1 583616743 LOIPBMHLLIZHQH-NSHDSACASA-N 281.356 1.506 0 50 CDAA Cn1nc(C(F)(F)F)cc1C(=O)N=S(C)(C)=O 913640291 ODLDDTCFEYUYHH-UHFFFAOYSA-N 269.248 1.307 0 50 CDAA CC[C@H](Nc1nccn2nnnc12)c1ccccn1 952877340 OCZMHYRHJXUDDC-VIFPVBQESA-N 255.285 1.478 0 50 CDAA O=C(OCCCF)N1CCC(O)(Cc2ccccn2)CC1 952963435 ITGQALHZJMZBHR-UHFFFAOYSA-N 296.342 1.947 0 50 CDAA CCCNC(=O)CN1CCC(c2ncccn2)CC1 952993382 MXVCQSQDEQXJJQ-UHFFFAOYSA-N 262.357 1.182 0 50 CDAA O=C(NN1CCCNC1=O)c1nc(C2CC2)n2ccccc12 1875258960 LHHCQFXACUCZJM-UHFFFAOYSA-N 299.334 1.272 0 50 CDAA COCCC1CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875293989 JUSFKLQAEDJKJR-VHSXEESVSA-N 293.367 1.540 0 50 CDAA CCCc1cc(C(=O)NC2(c3ncc[nH]3)CC2)cc(O)n1 1875396878 VSKLQIWRMKVMRM-UHFFFAOYSA-N 286.335 1.882 0 50 CDAA COC1CC(NC(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)C1 1875345904 MJOAXHSYTMDOIE-ORHYLEIMSA-N 292.310 1.612 0 50 CDAA O=C1NCC[C@@H]2CCCN(c3cncc(Cl)n3)[C@@H]12 883022054 MNHHYAMTELVLLV-GZMMTYOYSA-N 266.732 1.235 0 50 CDAA COC(=O)c1ccc(-c2ccc(C(=O)OC)nc2)cn1 38537003 NDOFOEHKVAYSDT-UHFFFAOYSA-N 272.260 1.717 0 50 CDAA in-vitro O=C(O)[C@H]1C[C@H]1C(=O)N1CCOC2(CCCCC2)C1 263522053 HRWZZPAVYGCFFI-MNOVXSKESA-N 267.325 1.269 0 50 CDAA CN1C[C@@H](CNc2cccc(C(F)(F)F)n2)CC1=O 664456772 NWRPIERZLGWQHT-MRVPVSSYSA-N 273.258 1.991 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Cl)CCN1 188448104 XIEFHKLFFULDAW-GHMZBOCLSA-N 282.771 1.928 0 50 CDAA CC(C)n1nnnc1CN1CCC[C@@H]1c1cccnc1 328632381 AIGPHWPOSDHSHU-CYBMUJFWSA-N 272.356 1.986 0 50 CDAA C[C@H](N)c1ccc(CNC(=O)c2cncn2C)cc1 422884713 FKTJPPDZXMUVGV-JTQLQIEISA-N 258.325 1.370 0 50 CDAA C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cncn1C 630185187 LHKSPAAWMTYFAC-NSHDSACASA-N 287.319 1.536 0 50 CDAA CN(C)S(=O)(=O)CCNCc1cccc2ncccc12 720505821 BBPJFMLKZDRHIA-UHFFFAOYSA-N 293.392 1.216 0 50 CDAA C[C@H]1CCCN1CC(=O)Nc1ccc2c(c1)C[C@@H](O)C2 2325750144 RTIPFIDHFBUKFL-NHYWBVRUSA-N 274.364 1.569 0 50 CDAA O=C(NN1CCCCC1=O)c1cnc(-c2ccccn2)nc1 2325763664 PTFRFXVOXZARJR-UHFFFAOYSA-N 297.318 1.196 0 50 CDAA CCN(CC)C(=O)COc1ccc(C=O)cc1OC 35857 BGIJJLSDXQBYJQ-UHFFFAOYSA-N 265.309 1.755 0 50 CDAA COc1ccc(N2C(=O)C[C@H](SCC(=O)O)C2=O)cc1 266562 ONJLEPSFGCKBKG-JTQLQIEISA-N 295.316 1.145 0 50 CDAA Cc1cc2c(cc1N)N[C@@]1(O)c3ccccc3C(=O)[C@]1(O)N2 457771 WBQVAYIIQIIEJF-HZPDHXFCSA-N 297.314 1.145 0 50 CDAA Cc1ccc(C(=O)N2CCN(C=O)CC2)c(Cl)c1 458437 FMNVPTRKDMYHGH-UHFFFAOYSA-N 266.728 1.563 0 50 CDAA NC(=O)COc1ccc(C=O)cc1Br 609015 JNVJQJRJYQFCCC-UHFFFAOYSA-N 258.071 1.126 0 50 CDAA O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccccc1 1709638 CVTZIVQXISGDBW-UHFFFAOYSA-N 297.310 1.843 0 50 CDAA CNC(=O)CN(C)c1noc(-c2ccccc2)c1C(=O)O 2356142609 ZLNQZAZMECAFMM-UHFFFAOYSA-N 289.291 1.222 0 50 CDAA COc1ccc(C(=O)O)cc1CN1CCOCC1 2552550 XQGGOCJADNCVHW-UHFFFAOYSA-N 251.282 1.226 0 50 CDAA C[C@H]1CN(C2CC2)CCN1c1nnnn1-c1ccccc1 2356169010 SDIMEYITAWFQHK-LBPRGKRZSA-N 284.367 1.335 0 50 CDAA CCOCCCNC(=O)c1ccc(NC(C)=O)cc1 2735092 QRFJGNUOHXUILS-UHFFFAOYSA-N 264.325 1.801 0 50 CDAA COc1cccc(-c2cc(C(=O)N3CCOCC3)no2)c1 3907940 SXKPRLHIONCNJC-UHFFFAOYSA-N 288.303 1.823 0 50 CDAA COC(=O)CSc1nnc(-c2cccc(O)c2)o1 4393875 CFPSLEXQUOPBNJ-UHFFFAOYSA-N 266.278 1.707 0 50 CDAA CN1CCN(Cc2ccc3c(c2)CCO3)C[C@H]1CCO 104640997 FIIANGNLMSWUIL-OAHLLOKOSA-N 276.380 1.120 0 50 CDAA COc1cc(OC)c2ncnc(N3CCNC[C@@H]3C)c2c1 420162614 DKOYKSWMPFQEQV-JTQLQIEISA-N 288.351 1.445 0 50 CDAA Cc1cc(C)n(-c2nc3ccccc3nc2NN)n1 67630882 KFUNWIHWVGPWME-UHFFFAOYSA-N 254.297 1.718 0 50 CDAA O=C(c1ccc(N2CCCC2=O)cc1)N1CCSC1 20867666 PGHXEWCSSHETSB-UHFFFAOYSA-N 276.361 1.960 0 50 CDAA OCc1ccccc1CN1CCN(C[C@H]2CCOC2)CC1 63833528 QFNPDDQUQBFPKE-OAHLLOKOSA-N 290.407 1.333 0 50 CDAA Cc1csc(NC(=O)C2(S(C)(=O)=O)CCC2)n1 279843016 HQYQQROOPHDXFG-UHFFFAOYSA-N 274.367 1.357 0 50 CDAA CCn1nc(C)c(CN[C@@H](C)Cn2cncn2)c1C 65394547 JFKULWLHRMOCSP-JTQLQIEISA-N 262.361 1.290 0 50 CDAA CC1(C)[C@H](NC(=O)COC[C@@H]2CCCO2)[C@H]2CCO[C@H]21 252516314 RRXQNXFEJSPKKJ-OIMNJJJWSA-N 283.368 1.112 0 50 CDAA 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CCCCCNC(=O)N(C)Cc1nnc(CC)o1 426424185 CLICIUZKTASPDU-UHFFFAOYSA-N 254.334 1.964 0 50 CDAA CSCC[C@@H](NC(=O)c1c(C2CC2)n[nH]c1C)C(=O)O 426649598 JOIMUXRKVKUKFV-SECBINFHSA-N 297.380 1.532 0 50 CDAA Cc1ccc(N2CCC(N[C@@H]3CCNC3)CC2)cc1 426380769 ZCRIGHZEBBRXNP-OAHLLOKOSA-N 259.397 1.915 0 50 CDAA CCO[C@H](C)C(=O)N(C)CCc1c(C)n[nH]c1C 426526939 QNVZPUVLYLAELW-LLVKDONJSA-N 253.346 1.452 0 50 CDAA COc1cc(-c2cnc3nncn3c2)cc(OC)c1OC 426424406 VEBMNMAECGJEQA-UHFFFAOYSA-N 286.291 1.817 0 50 CDAA O=c1c2ccccc2cnn1Cc1nc([C@H]2CCOC2)no1 96132506 VLIXVDZACPIJIT-NSHDSACASA-N 298.302 1.332 0 50 CDAA COCC1(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)CC1 97243716 DGQOYFJRPOVIAM-LBPRGKRZSA-N 279.384 1.841 0 50 CDAA OC1(c2ccc(F)cc2)CCN(C[C@@H]2COCCO2)CC1 244723678 MFLJTIJMJMOMSH-OAHLLOKOSA-N 295.354 1.525 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccsn1 295484583 GSAQZMZFZOMAPZ-SNVBAGLBSA-N 267.354 1.130 0 50 CDAA NC(=O)[C@H](O)C1CCN(CCCc2cccc(F)c2)CC1 299750975 OYGLDYRQGALKHE-OAHLLOKOSA-N 294.370 1.317 0 50 CDAA CCCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C(=O)O 299749801 LPLPXBQMEMPNMV-GHMZBOCLSA-N 256.346 1.182 0 50 CDAA CC(C)c1ocnc1C(=O)NCC[C@@H]1CCOC1 534586753 QYVDRLSMZBTLNG-SNVBAGLBSA-N 252.314 1.954 0 50 CDAA NCCN(CCc1ccccc1)C(=O)[C@H]1C[C@@]12CCNC2 261796515 VFKWETAESSJQRE-NVXWUHKLSA-N 287.407 1.016 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)CCc1ccncc1 534634193 JHZZSRALOUFYKY-LBPRGKRZSA-N 287.367 1.893 0 50 CDAA Cc1ccc2c(c1C)NC(=O)[C@@H]1C[C@@H](N(C)C)CN1C2=O 534651784 GZXMYHXYMOCANE-YPMHNXCESA-N 287.363 1.400 0 50 CDAA CC(=O)N1CCC[C@H](Nc2ncc(F)c(N(C)C)n2)C1 534671130 USWMYDSIFHVDNY-JTQLQIEISA-N 281.335 1.105 0 50 CDAA c1ccc2c(c1)CC1(CO2)CN(c2ccncn2)C1 1940196228 SZQZIWQWIJXWGW-UHFFFAOYSA-N 253.305 1.918 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)C(C)(C)COC 823036193 TXUGWSTUNFEZIV-JTQLQIEISA-N 268.361 1.538 0 50 CDAA CSCCNC(=O)CCN1CCCCCC1=O 824902658 REBMTQLUPVQWLN-UHFFFAOYSA-N 258.387 1.258 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)c(F)c1 584899376 IYDQBNPQMAIVEL-VXGBXAGGSA-N 266.316 1.744 0 50 CDAA CO[C@H]1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C[C@@H]1O 584891255 FXPVYVHPMCDAIE-MGZIPMFSSA-N 293.407 1.811 0 50 CDAA CC1(C)CNC(=O)[C@@H]1NC[C@@H](c1ccco1)N1CCCC1 585134638 DFVZVXRBZFVQHQ-JSGCOSHPSA-N 291.395 1.531 0 50 CDAA CN1CCC(CN[C@H]2CCSC2)(N(C)C)CC1 584900409 LFETXXIDFXWUBX-LBPRGKRZSA-N 257.447 1.108 0 50 CDAA Cc1ccc(CN2C[C@H]([C@H](C)O)NC[C@@H]2[C@@H](C)O)cc1F 585657555 LOAGMTIBSYNWDE-UAXWRAGISA-N 296.386 1.038 0 50 CDAA COC(=O)Cc1ccccc1-c1cnc(C(=O)O)nc1 675070431 YSEPGTAYPDDOCV-UHFFFAOYSA-N 272.260 1.557 0 50 CDAA O=C(c1cc(O)ncn1)N1Cc2cc(F)c(F)cc2C1 1418187464 CHPAAWGSCPCSRG-UHFFFAOYSA-N 277.230 1.616 0 50 CDAA CNCC(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 952968314 KVDNDIIRKHJZFX-AWEZNQCLSA-N 278.352 1.792 0 50 CDAA COCC1(CNCc2nc(C)c(C)n2C)CCC1 952977294 XPSLYQPFZKXBRG-UHFFFAOYSA-N 251.374 1.943 0 50 CDAA CNC(=O)CCc1ccccc1NC(=O)CSC 952981943 PWOWTSISLUABNS-UHFFFAOYSA-N 266.366 1.667 0 50 CDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccsc1 1565509408 LUBCHRLDGIOGOV-USZNOCQGSA-N 266.366 1.195 0 50 CDAA C[C@@](Cn1cccn1)(NC(=O)Cc1ccccc1)C(=O)O 1592917338 NUIGTKKAZUVMAR-HNNXBMFYSA-N 287.319 1.085 0 50 CDAA Cc1nnc(NC(=O)[C@@H]2CCCO[C@@H]2C)n1C1CC1 408057403 UFKWTYKIBSODSV-LDYMZIIASA-N 264.329 1.675 0 50 CDAA C[C@@H]1CN(C(=O)C[C@H]2CCC[C@@H](C)C2)C[C@H]1C(N)=O 408037820 HXFITNAITBGHIX-FVCCEPFGSA-N 266.385 1.783 0 50 CDAA O=S(=O)(Cc1ccc(F)cc1)NC[C@H]1CCCO1 16578447 FCJUSKNXBYIYBS-GFCCVEGCSA-N 273.329 1.424 0 50 CDAA CN1CCN(C(=O)COc2ccc(F)cc2F)CC1 16580227 YWZRLIPFEPICIN-UHFFFAOYSA-N 270.279 1.118 0 50 CDAA C[C@@H](N)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 167705531 XXXILXDLMMSQFR-CYBMUJFWSA-N 275.396 1.457 0 50 CDAA COC(=O)C1(NC(=O)C2=CCCCO2)CCCCC1 170641872 RMWOIDJZNIJAIW-UHFFFAOYSA-N 267.325 1.673 0 50 CDAA O[C@]1(Cn2cc(-c3cc(F)cc(F)c3)nn2)CCCOC1 641217907 RTOBWMPBSAEYIF-AWEZNQCLSA-N 295.289 1.765 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ncccc1C 643853038 QWIHZTRHAWQQIU-AWEZNQCLSA-N 278.308 1.096 0 50 CDAA O=C(COC[C@@H]1CCCO1)N1CCc2nc(F)ccc21 585122522 UEWXXWYSFNFDJX-JTQLQIEISA-N 280.299 1.305 0 50 CDAA COCc1nc(C)cc(NCC[C@H]2CCOC2)n1 680072669 QFTUQZJKPUVWMG-NSHDSACASA-N 251.330 1.770 0 50 CDAA NC(=O)c1cn(Cc2csc(-c3ccco3)n2)nn1 746466706 WCIFOGZRXYNUEC-UHFFFAOYSA-N 275.293 1.142 0 50 CDAA Cn1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)n1 570048509 XOPBDWJPYQBBAR-CQSZACIVSA-N 269.348 1.841 0 50 CDAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1ccccc1 138458429 LXHCJVYROBWOJJ-SECBINFHSA-N 257.311 1.170 0 50 CDAA O=C(N[C@]12CCC[C@@H]1NCC2)c1cc2cccn2cn1 1615547125 NZSLUHYVGNTBHE-ZFWWWQNUSA-N 270.336 1.349 0 50 CDAA CSCCC(=O)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616084775 QIESALHJIZTSNJ-AAEUAGOBSA-N 280.393 1.197 0 50 CDAA COc1nccnc1NC[C@H]1CC[C@H](CO)CC1 1506406942 KPKIKVNAMAAULT-XYPYZODXSA-N 251.330 1.696 0 50 CDAA CC(C)Sc1nnc(NC(=O)CCn2cnnc2)s1 1506411143 WZSKIEMFJSDUIB-UHFFFAOYSA-N 298.397 1.659 0 50 CDAA Cc1cccc(C(=O)N/C(=C/c2ccco2)C(N)=O)c1 466514 TWTNHINOFYTHJH-UKTHLTGXSA-N 270.288 1.844 0 50 CDAA COc1cccc([C@H](C)N(C)CCn2cnnc2)c1 1529189141 IGKWRYPIIGXHRA-LBPRGKRZSA-N 260.341 1.980 0 50 CDAA Cc1noc(=O)n1CC(=O)N[C@H](C)CCC(C)C 1857528916 SYHVEBYJVHXPPZ-SECBINFHSA-N 255.318 1.086 0 50 CDAA COC(=O)c1cc(=N)[nH]c(N(C)Cc2ccc(C)o2)n1 1857666935 KZXWVMOVKMDWQX-UHFFFAOYSA-N 276.296 1.214 0 50 CDAA COC(=O)COc1c(OC)cccc1C(=O)OC 396174 VLQBVKZFMXBOKM-UHFFFAOYSA-N 254.238 1.034 0 50 CDAA in-vitro N=C(O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC1(O)CCC1 334058484 XGPCKTLDWFDUEV-SRVKXCTJSA-N 252.358 1.927 0 50 CDAA Cc1cc(C)nc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704335527 BFRNLLAYXUXYHF-GDBMZVCRSA-N 290.411 1.376 0 50 CDAA C[C@]1(F)CNCCN(S(=O)(=O)c2cccs2)C1 334968913 PEFLRCOVRBONBV-JTQLQIEISA-N 278.374 1.070 0 50 CDAA O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(Br)cn1 245508654 JKYLXVMEMBYUFR-MGCOHNPYSA-N 299.168 1.877 0 50 CDAA COc1cc(CCNC2=NCCCCN2)cc(OC)c1 1875357104 YYGYTAUCVUEGIP-UHFFFAOYSA-N 277.368 1.575 0 50 CDAA C[C@H]1CN(C[C@H](O)COC2CCCC2)C[C@@H](C)O1 12419919 VKESFLWTZYJZIP-XQQFMLRXSA-N 257.374 1.416 0 50 CDAA CC1(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 12459348 RYIJIOZXOSCDBF-AWEZNQCLSA-N 286.375 1.746 0 50 CDAA C[C@H]1CN(CCOc2cccc(C=O)c2)C[C@@H](C)O1 16489324 QFOPVDKLMMOVFU-BETUJISGSA-N 263.337 1.987 0 50 CDAA O=C(NCCCN1C(=O)c2ccccc2C1=O)c1ccco1 16576711 HQOPWCGCSXFFRT-UHFFFAOYSA-N 298.298 1.696 0 50 CDAA Sc1nnc(CN2CCOCC2)n1-c1ccccc1 18179587 MBMXEKYWTHEIGF-UHFFFAOYSA-N 276.365 1.388 0 50 CDAA COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1 19323023 STSCWJAVTYSXLT-UHFFFAOYSA-N 288.391 1.712 0 50 CDAA biogenic Cc1cc(C)cc(OC[C@@H](O)CN2CCN(C)CC2)c1 19790708 JDCFXZAFTPTPMD-HNNXBMFYSA-N 278.396 1.291 0 50 CDAA O=C1[C@@H]2C(C(F)(F)F)[C@H]2C(=O)N1Cc1ccccc1 169379157 RPSIOCGQFQDMEE-IUCAKERBSA-N 269.222 1.980 0 50 CDAA CO[C@H]1CN(C(=O)N2CCCC[C@@H]2C)C[C@@H]1c1cnn[nH]1 1857528989 HLRYWGYXQOQIOY-LOWVWBTDSA-N 293.371 1.213 0 50 CDAA O=C(O)CCN(C(=O)C[C@H]1CCCO1)C1CCOCC1 408513250 GGNMNRHWNSJRIX-GFCCVEGCSA-N 285.340 1.038 0 50 CDAA Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H](O)C3 6069584 VOTLUFSYIRHICX-LBPRGKRZSA-N 276.288 1.881 0 50 CDAA biogenic,in-vitro Cc1noc([C@H]2CN(CCC3CCOCC3)CCN2C)n1 330326922 KMQLQAHXYGKXOB-CQSZACIVSA-N 294.399 1.483 0 50 CDAA CC[C@H]1CN(c2ncnc3n[nH]cc23)C[C@@H](CC)O1 643194758 WMILKHOYIWBDPG-AOOOYVTPSA-N 261.329 1.747 0 50 CDAA Cc1nn(C)cc1[C@@H](C)NC(=O)N(C)Cc1cnn(C)c1 332262590 ALOKOBAEMMHZSD-SNVBAGLBSA-N 290.371 1.365 0 50 CDAA O=C(c1n[nH]c2ccc(Cl)cc12)N1[C@H]2COC[C@H]1C2 333408199 GSPRUNRARAMULI-RKDXNWHRSA-N 277.711 1.830 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)COCCc1ccccc1 238066598 OAOHXJNPTJROSX-ZDUSSCGKSA-N 277.320 1.321 0 50 CDAA Cc1nccn1CC(=O)N1C[C@H](C(=O)O)[C@@H](C(C)C)C1 247936782 DWZRXSRDGWUVBF-NEPJUHHUSA-N 279.340 1.007 0 50 CDAA CCCCc1nc(CN2CC[C@@H](O)C[C@H]2C(=O)O)c[nH]1 248195731 PHGUNWHQHGRGNG-NEPJUHHUSA-N 281.356 1.162 0 50 CDAA CN[C@H](C)CNC(=O)c1cc(C2CC2)nc2onc(C)c12 261645068 DPIGJVUWIDLOPP-MRVPVSSYSA-N 288.351 1.746 0 50 CDAA CN1CCN(S(=O)(=O)c2cnn(C)c2)c2ccccc21 158978716 PBJDQICGXAEHOB-UHFFFAOYSA-N 292.364 1.065 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCCn1cncn1 585145591 MDQJKRMVMZZPRW-RWMBFGLXSA-N 262.357 1.611 0 50 CDAA CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O 34184470 XEPZKCVKBIJDII-KGLIPLIRSA-N 263.337 1.433 0 50 CDAA in-vitro COC(=O)[C@H](NC(=O)COc1ccccc1)C(C)C 5384594 XCUQBASELMXBRR-CYBMUJFWSA-N 265.309 1.379 0 50 CDAA C[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccco1)c1cnn(C)c1 1275774495 JVNRTNPMYDQFHW-YUSALJHKSA-N 259.309 1.789 0 50 CDAA CC[C@@H]1CN(C(=O)N[C@H](C)C(OC)OC)C[C@H](C)O1 864095655 VGLUQGOAHRJAAK-HBNTYKKESA-N 274.361 1.203 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc2c(c1)C(C)(C)CO2 1875273332 PYZKKGHUVVYHOW-SNAWJCMRSA-N 289.331 1.816 0 50 CDAA Cc1nc([C@@H](NC(=O)C2CC2)c2ccccc2)no1 1875297018 ZOSFEZCCVYYTQK-LBPRGKRZSA-N 257.293 1.994 0 50 CDAA NC[C@H]1C[C@H](Nc2nccc(-c3cnccn3)n2)C12CCC2 1875305530 WBCSNNAWKYBRSO-RISCZKNCSA-N 296.378 1.863 0 50 CDAA O=C(Nc1ccnnc1)c1cc2n(n1)CC1(CC1)C2 1875313001 VRGJDTRQLRVOQY-UHFFFAOYSA-N 255.281 1.262 0 50 CDAA Cc1cccc2nc(CNC(=O)c3cc(O)nn3C)cn12 1875319094 YTCGIRHVJSJDTQ-UHFFFAOYSA-N 285.307 1.012 0 50 CDAA O=C(N[C@H]1CCc2ccccc21)[C@H](O)CNC1CCCC1 1875308692 RUMFEAFSRCEHFU-JKSUJKDBSA-N 288.391 1.683 0 50 CDAA NC[C@H]1CCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 1875312507 NEAJZNGYQVOKMH-GFCCVEGCSA-N 290.411 1.418 0 50 CDAA CC(C)C1(O)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875395049 IISLUYYBFKNWKK-VHSXEESVSA-N 293.367 1.275 0 50 CDAA C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CCS1 1875311017 JPJYGJWFCAKQAG-IQMQYZSSSA-N 283.393 1.744 0 50 CDAA CCn1nc(C)c(CN2CCCC[C@@H]2c2nc[nH]n2)n1 895196938 CWMFUEUZHXZXTI-GFCCVEGCSA-N 275.360 1.452 0 50 CDAA OC[C@@H]1COCCN1c1cnc2cc(Cl)ccc2n1 895936058 XFPGTUKXIJFZLQ-SNVBAGLBSA-N 279.727 1.481 0 50 CDAA Cc1ccnc(N[C@H]2CCS(=O)(=O)C3(CCC3)C2)n1 896682863 PFTJJBAQYZTUER-NSHDSACASA-N 281.381 1.697 0 50 CDAA CN1CC[C@H](CN2CCN(c3ccccc3F)CC2)C1 252488619 IVQLVIVGZQXYNI-AWEZNQCLSA-N 277.387 1.899 0 50 CDAA NC(=O)C[C@@H]1CCCCN1C[C@H](O)CC1CCCC1 252515378 JETPGZPPIZDIOF-UONOGXRCSA-N 268.401 1.658 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 169619775 QZJPDCZBYMDOCY-UHFZAUJKSA-N 267.325 1.029 0 50 CDAA CN(CCSc1nnnn1C)Cc1ccccc1 278579111 OMOLIUBCPRRSBA-UHFFFAOYSA-N 263.370 1.434 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCCCC1)C1CCOCC1 630264942 LPBMWKZIYWHEJB-CYBMUJFWSA-N 283.368 1.810 0 50 CDAA Cc1cc(C(F)(F)F)nc(N[C@H]2CCC(=O)N[C@@H]2C)n1 440546398 NBKWJEMXIVPQEP-SFYZADRCSA-N 288.273 1.883 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)CC[C@H]1CCCO1 643849977 IWSKDSHNSBDGPU-BXUZGUMPSA-N 285.340 1.038 0 50 CDAA Cc1ccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)o1 685940719 SCEAMMNADOJPIE-LLVKDONJSA-N 281.308 1.445 0 50 CDAA CN(Cc1cn(C)nn1)Cc1cc(C(=O)O)cs1 711391283 BVVXYUDFOAIQOF-UHFFFAOYSA-N 266.326 1.207 0 50 CDAA Cc1cocc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 864144984 IJHFQKPFNCBCCZ-NSHDSACASA-N 281.308 1.445 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)c2c(O)cccc2OC)[C@H]1OC 907384754 MYJWRVHVQXUTGW-GAJTVXKRSA-N 295.335 1.323 0 50 CDAA CCOC(=O)c1ccc(N(C[C@@H](C)O)C[C@@H](C)O)cc1 704 CBZHHQOZZQEZNJ-VXGBXAGGSA-N 281.352 1.431 0 50 CDAA in-man CCOC(=O)[C@H]1CCc2nc3ccccc3c(=O)n21 227035 JFMRKAAYWJBOST-LLVKDONJSA-N 258.277 1.447 0 50 CDAA biogenic Cc1ccc2c(c1)[C@](O)(CC(=O)c1cccnc1)C(=O)N2 477231 HDJFNPOFFRNOBP-MRXNPFEDSA-N 282.299 1.803 0 50 CDAA CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O 4197626 AXYLTNPCAFBKLI-UHFFFAOYSA-N 285.303 1.377 0 50 CDAA CCN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1OC 4235155 VXQYLXZYPLXLNR-SMDDNHRTSA-N 293.319 1.698 0 50 CDAA O=C1O[C@H](CN2CCCC2)Cn2c1cc1occc12 6345528 PWTQYATUDKDBEU-SNVBAGLBSA-N 260.293 1.869 0 50 CDAA COCCNC(=O)c1ccccc1-c1ccccc1C(N)=O 10233271 RHIYJVCSNOLRMI-UHFFFAOYSA-N 298.342 1.829 0 50 CDAA OCCN1CN(Cc2ccco2)c2nc3ccccc3n2C1 9421313 ONBDSJXIMRTMFJ-UHFFFAOYSA-N 298.346 1.859 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100149555 HYVCRTFVNMBICJ-VDUILEQBSA-N 283.283 1.696 0 50 CDAA Cn1ccn2ncc(C(=O)NCCOc3ccccc3)c12 65421252 RETFVAFVMADOAJ-UHFFFAOYSA-N 284.319 1.482 0 50 CDAA CCCSc1ncc(CN2CCOC[C@H](CO)C2)cn1 77487836 ZTMBBPZIUVDIOO-ZDUSSCGKSA-N 297.424 1.419 0 50 CDAA O=C(NCc1nc(-c2cccnc2)n[nH]1)c1ccccc1 65387249 LYKJLTQTCQDEGE-UHFFFAOYSA-N 279.303 1.797 0 50 CDAA CC[C@H](C(=O)O)N1CC[C@@H](CNc2cccc(C)n2)C1 248963034 NELRWQPZGWPYAU-QWHCGFSZSA-N 277.368 1.987 0 50 CDAA O=C(O)c1cccc2c1N(S(=O)(=O)c1ccoc1)CC2 349039282 PJDAKSKAFKXTQE-UHFFFAOYSA-N 293.300 1.729 0 50 CDAA CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C2(C(=O)O)CC2)C1 118957708 TWEKWENMMJLTMW-WDEREUQCSA-N 296.367 1.051 0 50 CDAA COc1cccc(CN(C)C(=O)c2ccnn2C)c1 63452243 LFKBHPCNYUHMBK-UHFFFAOYSA-N 259.309 1.701 0 50 CDAA C[C@H]1CN(C(=O)CN[C@H](C)[C@@H](C)n2cccn2)C[C@@H](C)O1 229567151 QADKZEOOKQKYHJ-XJFOESAGSA-N 294.399 1.058 0 50 CDAA CC(C)CCNC(=O)Cn1nc2c(cc1=O)CCCCC2 61721303 LYUKXLJRXUJJLF-UHFFFAOYSA-N 291.395 1.675 0 50 CDAA Cn1cnn(CN2CCO[C@H]3CCCC[C@H]32)c1=S 230118804 CMZMFFITBGDKCA-MNOVXSKESA-N 268.386 1.552 0 50 CDAA CCCn1nccc1C(=O)NCC[C@@H]1CCCN(C)C1 67805589 HYKWLDBNVLZXBE-ZDUSSCGKSA-N 278.400 1.755 0 50 CDAA O=C(CN1CCCCC1=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 252581616 DDTLELDJEWJAJF-ARILJUKYSA-N 290.407 1.940 0 50 CDAA COCc1cc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)no1 253423098 YVFSLZUYOYETSI-LLVKDONJSA-N 276.296 1.521 0 50 CDAA O=C(Cc1cccnc1)NCCn1cc(Cl)cn1 219892264 FJIDWIFZZVXSHJ-UHFFFAOYSA-N 264.716 1.290 0 50 CDAA CC(C)c1nccc(CN2CCC[C@](O)(CN(C)C)C2)n1 72426452 LUCRZHFPGAYSHQ-INIZCTEOSA-N 292.427 1.489 0 50 CDAA C[C@@H](Cn1cccn1)n1cnc2sccc2c1=O 32561858 ASXYQALPOXYKET-VIFPVBQESA-N 260.322 1.916 0 50 CDAA O=c1n(CC2CC2)nc([C@@H]2CCCNC2)n1-c1ccccc1 71747916 RRNTXSPVLYFUMR-CQSZACIVSA-N 298.390 1.911 0 50 CDAA CC(=O)c1oc2ccccc2c1NC(=O)Cn1ccnn1 154062338 LMMDCCKHTRIYGP-UHFFFAOYSA-N 284.275 1.866 0 50 CDAA CC[C@@](C)(CO)NC(=O)CNC(=O)c1cc(C)cc(C)c1 155498609 KPLJWNPMPIDDGD-INIZCTEOSA-N 292.379 1.310 0 50 CDAA Nc1ncccc1CN1CCC[C@@](O)(CN2CCCC2)C1 77406085 IOEMTTWALLKRJD-MRXNPFEDSA-N 290.411 1.087 0 50 CDAA CCn1c(=O)cc(N)n(CCCc2ccccc2)c1=O 71772907 JAZGXUXDQQWITN-UHFFFAOYSA-N 273.336 1.245 0 50 CDAA O=C(NCC(F)(F)F)c1ccc(Cn2cnnn2)cc1 215684520 VADWJCJUUQJLCG-UHFFFAOYSA-N 285.229 1.014 0 50 CDAA Cn1cc([C@H]2CN(C(=O)Cn3cccn3)CC2(C)C)cn1 519773613 KTODPVYNUIIBRC-CYBMUJFWSA-N 287.367 1.269 0 50 CDAA O[C@H]1CCN(c2nc3ccc(Cl)cc3s2)C[C@@H]1O 72152806 HYXFPZGXQXHPSG-UWVGGRQHSA-N 284.768 1.882 0 50 CDAA CCCNC(=O)N1CCC(C(=O)O)(n2cc(C)cn2)CC1 72458578 XUBRGABHSLNGAT-UHFFFAOYSA-N 294.355 1.187 0 50 CDAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)CN 237512870 UIGOCNAEAOLZRH-HIFRSBDPSA-N 275.396 1.314 0 50 CDAA Cc1noc(C)c1CN1CCC[C@@H](c2ncn[nH]2)C1 216439049 RUYUXPOGDQUICA-LLVKDONJSA-N 261.329 1.789 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@H]1CC(=O)O 129389382 IWCVKAJXMFNXAI-RYUDHWBXSA-N 293.319 1.156 0 50 CDAA CC(C)c1ccc(C(=O)NC[C@]2(C)CCC(=O)N2)nc1 457222532 ZOAZLKPZTNRMCM-HNNXBMFYSA-N 275.352 1.604 0 50 CDAA OC[C@H]1COCCN1Cc1cnc(C2CCCCC2)nc1 216342903 ZGFQXDKKHHBRRF-HNNXBMFYSA-N 291.395 1.717 0 50 CDAA Cn1[nH]cc2/c(=N\C(=O)[C@H]3C[C@H]4C=C[C@H]3C4)ccnc1-2 282969582 AUZGXRXONIUNAJ-LOYXGMRGSA-N 268.320 1.493 0 50 CDAA Oc1nncn1C1CCN(c2nc3ccccc3o2)CC1 521394100 CFNXUDDZLSEPQY-UHFFFAOYSA-N 285.307 1.966 0 50 CDAA O=C1[C@@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1c1ccccc1 240934444 JCCWJAOHPSGGHL-OLZOCXBDSA-N 299.330 1.219 0 50 CDAA COCc1cc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)ncn1 529024479 PXILYXCVXJIYJU-XPTSAGLGSA-N 292.339 1.312 0 50 CDAA Cc1nc2ccc(NC(=O)N[C@H]3CC3(C)C)cn2n1 289734366 QEKAHUWSPARSIS-JTQLQIEISA-N 259.313 1.958 0 50 CDAA CN(CCc1ccccn1)c1cc([C@@H]2CCOC2)[nH]c(=N)n1 426712226 UWKYWDREMMVYKC-GFCCVEGCSA-N 299.378 1.467 0 50 CDAA Cc1nc(O)c(C(=O)NCCn2ccnc2)c(C)c1Cl 426401918 PHNZAVJNFAZURN-UHFFFAOYSA-N 294.742 1.684 0 50 CDAA COC(=O)[C@H](C)N(Cc1noc(C)n1)C1CCC1 192385183 LXICXEYBJDUFAQ-QMMMGPOBSA-N 253.302 1.294 0 50 CDAA Cn1nc(-c2cc3ccccc3n2C)nc1N1CCOCC1 426534512 UPSXHQZAVSTETO-UHFFFAOYSA-N 297.362 1.810 0 50 CDAA CC(C)[C@@H](CO)NC(=O)NCCn1ccc2ccccc21 426537717 OMMNRJGXRHOABV-CQSZACIVSA-N 289.379 1.957 0 50 CDAA Cc1ccc2nc(C)c(C(=O)NCCc3noc(C)n3)n2c1 426661410 XJFOTIHSINDNLZ-UHFFFAOYSA-N 299.334 1.615 0 50 CDAA C[C@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CN1C1CC1 237564103 PKOMXYJDQCCKOO-NOLJZWGESA-N 287.407 1.298 0 50 CDAA CNCC(=O)N1CCN([C@H](C)c2ccc(F)cc2F)CC1 237204766 FBIHQYCYGSERCN-LLVKDONJSA-N 297.349 1.389 0 50 CDAA COc1cccc(Cn2ncnc2Cn2ccccc2=O)c1 91965701 CZAJQBGBUARISK-UHFFFAOYSA-N 296.330 1.545 0 50 CDAA O=C(c1ccccc1)N1CCN(CC[C@@H]2CCOC2)CC1 437575333 FJWICTQQJZKZTN-OAHLLOKOSA-N 288.391 1.871 0 50 CDAA CC(C)c1nc(CN2CC[C@]3(C2)CN(C)C(=O)O3)co1 97480136 XDIRJLHONZZLHV-CQSZACIVSA-N 279.340 1.825 0 50 CDAA O=C1c2ccccc2SC[C@@H]1CN1CCOCC1 96027550 LUGNCTYSHGPBOG-NSHDSACASA-N 263.362 1.923 0 50 CDAA CCOc1ccccc1[C@@H]1NC(=O)NC2=C1C(=O)OC2 232313881 ZSJDYRWFZLZXFX-LBPRGKRZSA-N 274.276 1.250 0 50 CDAA CC(C)c1cc(C(=O)NC2(C(=O)O)CCCC2)no1 95385883 SXGIKAQRHVERTL-UHFFFAOYSA-N 266.297 1.925 0 50 CDAA CNc1nc(C)cc(N2CC[C@](C)(O)C(C)(C)C2)n1 91793454 XTNXNDXBZWNZQT-AWEZNQCLSA-N 264.373 1.814 0 50 CDAA O=C(CC1Cc2ccccc2C1)NC[C@@H]1CCOC1 244659431 HCLRLIKYXGRTAY-LBPRGKRZSA-N 259.349 1.944 0 50 CDAA CCCC[C@@H]1C(=O)N(C)CCN1C[C@H]1CC[C@@H](N)CC1 244659791 HIRWQPVJWSGVEY-QLFBSQMISA-N 281.444 1.837 0 50 CDAA CCN(CC)C(=O)CN(C)[C@@H](C)c1ccncn1 244734886 NNLUJHFECUOACN-NSHDSACASA-N 250.346 1.338 0 50 CDAA NC(=O)[C@@H]1CC[C@@H]1C(=O)N=c1cc(-c2ccccc2)o[nH]1 621883415 LVLBDXSMYKVNIP-MNOVXSKESA-N 285.303 1.214 0 50 CDAA Cc1ccncc1CN(C)C(=O)[C@@H](C)c1ccnn1C 622573278 IQMJKOOZBFHYHW-LBPRGKRZSA-N 272.352 1.886 0 50 CDAA Cc1ccc(Cl)c(S(=O)(=O)NCCCN)c1 183114539 BLGDNRWYDJZAPC-UHFFFAOYSA-N 262.762 1.276 0 50 CDAA Cc1csc(C(=O)N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)c1 299070408 ULZJBTURZXRFJH-SECBINFHSA-N 292.364 1.488 0 50 CDAA CN(CC(=O)NCC[C@H]1CCCOC1)C1CCCC1 534676119 CVOLYVLNBAWOBJ-CYBMUJFWSA-N 268.401 1.794 0 50 CDAA CCN(C)C1(CNc2ccc(C(N)=O)cn2)CCCC1 534589473 KGIPHMGKBCGPAR-UHFFFAOYSA-N 276.384 1.857 0 50 CDAA COc1ccc(-c2nn3ccnc(O)c3c2CO)cc1 263615226 BGMMMBQRPKSEOD-UHFFFAOYSA-N 271.276 1.603 0 50 CDAA Cc1cnn([C@H](C)C(=O)NCc2cscn2)c1 534588865 RPDRVBIBATTXJD-SECBINFHSA-N 250.327 1.525 0 50 CDAA Cc1nc(C)c(CNCC[C@]2(O)CCCOC2)o1 628325822 GLPSJXAUAYNCPP-CYBMUJFWSA-N 254.330 1.313 0 50 CDAA CC(C)c1noc(CCNC(=O)Cc2ccncc2)n1 299780984 CSQASHOFJPBORV-UHFFFAOYSA-N 274.324 1.489 0 50 CDAA Cc1cnccc1N1CCN([C@@H]2CCNC(=O)CC2)CC1 568531454 DVVKOQVHOUSRFK-AWEZNQCLSA-N 288.395 1.181 0 50 CDAA CC(=O)NCCNC(=O)NC1(c2ccccc2Cl)CC1 584885975 XNUWENDTOLXFDG-UHFFFAOYSA-N 295.770 1.764 0 50 CDAA CN(Cc1cnc(N(C)CC(=O)O)nc1)C[C@@H]1CC1(C)C 584888580 ZCYBEYOZYQVSME-LBPRGKRZSA-N 292.383 1.475 0 50 CDAA C[C@H](Cc1cccnc1)NS(=O)(=O)N1CCCCC1 907975708 DTFJFIWZIUNXLY-GFCCVEGCSA-N 283.397 1.333 0 50 CDAA Cc1nsc(C)c1CN1C(=O)[C@@H]2CCCN2C1=O 585137436 YWDXZOPRPHPGOO-JTQLQIEISA-N 265.338 1.687 0 50 CDAA CC[C@H](NC(=O)c1nc2ncccn2n1)c1ncc(C)[nH]1 584884182 CACQGXSMZANFON-VIFPVBQESA-N 285.311 1.037 0 50 CDAA CN(C[C@@H]1Cc2ccccc2O1)c1ncnc2[nH]cnc12 670473666 FHYFNVKRPCRGCJ-NSHDSACASA-N 281.319 1.793 0 50 CDAA COc1cc(S(=O)(=O)N2CCc3cnccc32)sn1 1365136735 SOCIQCLSTCUWPZ-UHFFFAOYSA-N 297.361 1.298 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@H](C)CCc2ccccc2)n1 952964587 OIQHGKCUQXNGOC-GFCCVEGCSA-N 286.379 1.911 0 50 CDAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)[C@H]1C=CCN1 952989395 CZFVQDXRJNYPNS-CQSZACIVSA-N 298.390 1.790 0 50 CDAA COc1cc(C)nc(N(C)Cc2csnc2OC)n1 1548524762 WYNPFNGIHVCMGA-UHFFFAOYSA-N 280.353 1.895 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](CN)CO2)C1 91303592 CYIJGWKOFZHWLD-FZMZJTMJSA-N 270.373 1.751 0 50 CDAA in-vitro C[C@H](NC(=O)N[C@H](C)CCc1ccco1)c1nc[nH]n1 272478045 RHCVUQWHINMIKY-ZJUUUORDSA-N 277.328 1.779 0 50 CDAA C[C@H](C(=O)O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 169988121 HZVCGSWZXNHOAZ-BXKDBHETSA-N 280.299 1.336 0 50 CDAA C=Cn1cc(CN2CC[S@](=O)C[C@H](C)C2)cn1 278128160 BUBBJIIGYYWJNI-DIFFPNOSSA-N 253.371 1.184 0 50 CDAA C[C@]1(O)CCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 170611827 QXVLEZPVYCLLFH-AWEZNQCLSA-N 262.284 1.904 0 50 CDAA C[C@](O)(C[C@@H](O)CN[C@@H](CCO)c1ccco1)C1CC1 634719834 AHZCNAJIUZDRRX-IPYPFGDCSA-N 283.368 1.205 0 50 CDAA NC(=O)N1CCCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 190956009 ZWSIRROGTVTNRP-AWEZNQCLSA-N 295.427 1.955 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)Nc1nc2ccccn2n1 191149514 KXUKPZGSNORUQS-VHSXEESVSA-N 260.297 1.483 0 50 CDAA O=C(Nc1cnns1)N1CC[C@@](O)(C(F)(F)F)C1 192329246 TZLZMIYQOHTJFJ-ZETCQYMHSA-N 282.247 1.069 0 50 CDAA CN(C)C[C@]1(O)CCN(c2ccc3ccccc3n2)C1 72454466 MNJINORQAIWVRB-MRXNPFEDSA-N 271.364 1.738 0 50 CDAA COc1ccccc1CNC[C@@H](OC)[C@H]1CCOC1 585093630 PZNCWJCCKHDIAI-DZGCQCFKSA-N 265.353 1.836 0 50 CDAA CC(C)(C)n1nnnc1CN1CCC[C@@H]1c1ccncn1 585115995 CXOPXSMRICIXPQ-GFCCVEGCSA-N 287.371 1.555 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 195554596 UUIVQKHBAVRWQA-UGQVUOCMSA-N 293.455 1.835 0 50 CDAA O=C(c1cnn2ncccc12)N1CCC[C@H](n2ccnc2)C1 683408348 FAUXFYKFZGWQCG-LBPRGKRZSA-N 296.334 1.403 0 50 CDAA CCc1c(C(=O)N[C@@H]2COC[C@H]2O)cnn1C(CC)CC 571259584 WPZCDSUOOAVVQT-TZMCWYRMSA-N 295.383 1.296 0 50 CDAA O=C1CCCN1[C@H]1CCCN(Cc2ccncc2)C1 97785521 JWAHBTAIMDQFHJ-AWEZNQCLSA-N 259.353 1.668 0 50 CDAA Cc1onc(NC(=O)COC[C@@H]2CCCO2)c1Cl 1615587222 YAZFZYHEQGDCBQ-QMMMGPOBSA-N 274.704 1.771 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1 1615555398 SJTIYLDRNUPEOX-HUUCEWRRSA-N 284.363 1.819 0 50 CDAA O=C(c1ccc(Cl)cc1)N1CC(OCCO)C1 1615549680 RLSTYTRGCFIQJW-UHFFFAOYSA-N 255.701 1.173 0 50 CDAA NC1(c2noc(-c3nnn4ccccc34)n2)CCC1 1875282107 NEMNHLMLGBDUBR-UHFFFAOYSA-N 256.269 1.117 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)CCCN1CCOCC1)C2 1857666363 NTOBGYORRVVCGG-UHFFFAOYSA-N 289.379 1.345 0 50 CDAA CN1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1529126968 VKJNEVFTAILCOD-ZBFHGGJFSA-N 275.396 1.323 0 50 CDAA Cc1noc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)n1 1529153421 BDPINCXRFIYASQ-BKUVIOGVSA-N 251.330 1.359 0 50 CDAA CS(=O)(=O)CCn1ccnc1[C@@H]1CC=CCC1 1875241263 SFIPARPISALGDN-LLVKDONJSA-N 254.355 1.751 0 50 CDAA O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H]2CNC[C@@H]21 209472966 BIZCFAPIHJSXJJ-SKDRFNHKSA-N 286.784 1.322 0 50 CDAA Cc1nccc(N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)n1 1704337228 TVEZRFZIPREQRV-DOMZBBRYSA-N 290.367 1.160 0 50 CDAA CC(C)c1cc(C(=O)Nc2ccnn2C)cc(O)n1 121405423 WPROXCNZBCCZPX-UHFFFAOYSA-N 260.297 1.896 0 50 CDAA CC(C)N1C[C@H](CN(C)CC2CCOCC2)CCC1=O 1772809781 FUQYDVWTSPREMX-HNNXBMFYSA-N 282.428 1.992 0 50 CDAA Cc1nc(CNc2nnc(C(C)(C)N)o2)sc1C 1772704245 PWHQGVXQMPSSPQ-UHFFFAOYSA-N 267.358 1.949 0 50 CDAA Cc1nc(CN2CC(=O)N[C@H]3CCCC[C@H]32)oc1C 246772882 WPUZOOJZSOQSCH-NWDGAFQWSA-N 263.341 1.534 0 50 CDAA Cc1ccc(CNC(=O)CSc2n[nH]c(N)n2)cc1 5050517 AAGUZPFFDISWAU-UHFFFAOYSA-N 277.353 1.104 0 50 CDAA COc1cccc(C2=NO[C@@H](C(=O)N3CCCC3)C2)c1 5029578 LYTNEVIVNJQALR-CQSZACIVSA-N 274.320 1.811 0 50 CDAA CN1C[C@@H]2C[C@@H](c3cccc(O)c3)N3CCC[C@@]23C1=O 11661185 POJRGCZPLWOWKA-NOLJZWGESA-N 272.348 1.760 0 50 CDAA NC1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 11729523 HRBIZTJAMVKWIO-CYBMUJFWSA-N 254.761 1.797 0 50 CDAA CCN1CCN(C[C@@H](O)COc2cc(C)cc(C)c2)CC1 19790738 GBSKQYUVKRBSIL-MRXNPFEDSA-N 292.423 1.681 0 50 CDAA CCN1C[C@H](C(=O)NCC=Cc2ccccc2)CC1=O 1857529819 ZUBYCARHYZMHOH-CQSZACIVSA-N 272.348 1.684 0 50 CDAA C[C@H](CN(C)Cc1cccc2ccnn12)N1CCOCC1 1857666964 HFVWOYDBQCKQFW-CQSZACIVSA-N 288.395 1.487 0 50 CDAA COC[C@H]1CCN(c2ncnc3ccc(C)nc23)C1 1857673877 MMDARMPSHHXEPE-NSHDSACASA-N 258.325 1.806 0 50 CDAA CCOC[C@H]1CCN(C(=O)c2ccc(C(=O)O)s2)C1 236980647 KCVARIPXFZDEKS-VIFPVBQESA-N 283.349 1.945 0 50 CDAA CCc1cc(N2CCC[C@]3(CNC(=O)C3)C2)ccn1 336194350 KUWPELBKDRSONQ-HNNXBMFYSA-N 259.353 1.751 0 50 CDAA CCC[C@]1(CO)CCN(C(=O)c2ncc(OC)cn2)C1 356139957 NFMYTADROIMGGA-AWEZNQCLSA-N 279.340 1.110 0 50 CDAA COC1(C(=O)Nc2ccn(CC(=O)O)n2)CCCCC1 263134426 LXWPLCCBZZLHAA-UHFFFAOYSA-N 281.312 1.256 0 50 CDAA CC1(CNC(=O)c2c[nH]c(-c3ccccc3)n2)COC1 265607227 MMOSMQOYKZOXJO-UHFFFAOYSA-N 271.320 1.843 0 50 CDAA O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCc2cc(F)c(F)cc21 912359110 MSABXLZCHVZMLK-OBJOEFQTSA-N 294.301 1.373 0 50 CDAA CCOC(=O)c1ccc(NC(=O)c2csnn2)cc1 8673452 QAEFNHCDQPLALQ-UHFFFAOYSA-N 277.305 1.967 0 50 CDAA CN(CC(=O)N1CCc2occc2[C@@H]1C(=O)O)C1CCC1 910202917 MTKHULVYTLKXDV-CQSZACIVSA-N 292.335 1.274 0 50 CDAA c1c[nH]c(C2CCN(C[C@H]3COCCO3)CC2)n1 929803169 CJAXQHYIXOLAGG-LBPRGKRZSA-N 251.330 1.005 0 50 CDAA COCC[C@@H]1CN(c2nc(=N)[nH]c3c2CCCC3)CCO1 1875275903 LOKHCNVNJNVJCG-LLVKDONJSA-N 292.383 1.010 0 50 CDAA Cc1ccc(CN(C)C(=O)CN2C[C@H]3C[C@H]3C2)nc1 1875323828 VARZBNOGMHIAKZ-BETUJISGSA-N 259.353 1.300 0 50 CDAA C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2CC)C1 1875370879 HGINHOXPVJKLEB-QWHCGFSZSA-N 264.369 1.812 0 50 CDAA C[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O 1875310874 FRYDAVSEEZTOCG-HTXLXMOSSA-N 263.337 1.814 0 50 CDAA CCC(=O)N1CC[C@H](NC(=O)/C=C/CN(C)C)[C@H](CC)C1 1875378513 FDMCUXGCSGTAMO-NCRJZKAISA-N 295.427 1.258 0 50 CDAA O=C(NN1Cc2ccccc2C1=O)c1cnc(C2CC2)o1 879434112 OHWAJIBNTNXLLM-UHFFFAOYSA-N 283.287 1.853 0 50 CDAA CN1C(=O)C[C@@H](CNC(=O)c2ccc[nH]2)[C@@H]1c1ccncc1 886047287 ADIXLNLMPPKRBU-WFASDCNBSA-N 298.346 1.359 0 50 CDAA Cc1c(F)cccc1C(=O)N[C@]1(c2ncc[nH]2)CCOC1 886096593 MDIZTQAGCINSKS-OAHLLOKOSA-N 289.310 1.903 0 50 CDAA C[C@H]1CN(c2nccn3nc(C(F)(F)F)cc23)CC(=O)N1 894073204 UMMIKVGUMOTERL-ZETCQYMHSA-N 299.256 1.073 0 50 CDAA CC1(C)OC[C@@H]2C[C@@]21C(=O)OCc1nnc2ccccc2n1 1773454358 AKYAQDCUUQVARM-QFYYESIMSA-N 299.330 1.883 0 50 CDAA CCOCC(=O)Nc1nc(SC(F)(F)F)n[nH]1 1775985145 XHCFDOVSZPYTHB-UHFFFAOYSA-N 270.236 1.392 0 50 CDAA C[C@H](c1nc[nH]n1)N1CCOc2cccc(F)c2C1 1775985773 OKCQVURBCSNRQN-SECBINFHSA-N 262.288 1.899 0 50 CDAA CN(C1CCCC1)S(=O)(=O)NCCCc1cn[nH]c1 1775987166 HITZRJUPLPCXKR-UHFFFAOYSA-N 286.401 1.051 0 50 CDAA CC(C)(C)OC(=O)N1CCC(N)(CC(=O)O)CC1 40442934 BGBMNGXKKOJOSX-UHFFFAOYSA-N 258.318 1.190 0 50 CDAA in-vitro Cc1cc(C(=O)N(CC(=O)O)C2CCOCC2)c(C)o1 237668281 FIZCPDKXZIQRDH-UHFFFAOYSA-N 281.308 1.602 0 50 CDAA Cc1nnc(CN2CCCN(c3cccnn3)CC2)s1 271380953 DKRZLWOWWFFIOR-UHFFFAOYSA-N 290.396 1.349 0 50 CDAA COC(=O)[C@@H](C)NC(=O)c1cc(C)nc2onc(C)c12 42319488 YXODCSFJPRJIEB-MRVPVSSYSA-N 277.280 1.131 0 50 CDAA Cc1nonc1CN1CCO[C@@H](c2ccccc2)C1 265069790 VWTJVQLKBOABSP-CQSZACIVSA-N 259.309 1.952 0 50 CDAA Cc1cc(C)nc(CN(C)CCS(C)(=O)=O)c1 670452608 YQNQUDMZFCRUGG-UHFFFAOYSA-N 256.371 1.175 0 50 CDAA COCC1(CNC(=O)c2ccc(F)c(O)c2)CC1 534656803 QGTRXHSQYGLFRB-UHFFFAOYSA-N 253.273 1.688 0 50 CDAA CCOc1ccnc(NC[C@@]2(C)CCN(C)C2)n1 823399287 IAEZOGYTHQMPOG-CYBMUJFWSA-N 250.346 1.629 0 50 CDAA CC(=O)c1c(C)nn(CC(=O)N=c2cc(C)o[nH]2)c1C 2100554987 JQLDOIUXMHDKAO-UHFFFAOYSA-N 276.296 1.060 0 50 CDAA COCn1ccs/c1=N\c1cccc(CO)n1 116365167 DAWIQRUFQFRFQR-QBFSEMIESA-N 251.311 1.273 0 50 CDAA CCC(CC)(CNC[C@@H](O)[C@@H]1CCCO1)C(=O)O 2325790381 HXDUJGOHISERGO-MNOVXSKESA-N 259.346 1.007 0 50 CDAA CC(=O)N1[C@H](c2ccc(F)cc2)SC[C@H]1C(=O)O 31805 QRPAQKCEQIGTSY-QWRGUYRKSA-N 269.297 1.873 0 50 CDAA COC(=O)c1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1 127885 ASAYCBZOZLTZEN-VHSXEESVSA-N 267.306 1.261 0 50 CDAA CS(=O)(=O)CC(=O)c1cncc(Br)c1 153889 QGKSTXJPWZFXQD-UHFFFAOYSA-N 278.127 1.071 0 50 CDAA C[C@@H]1CN(S(=O)(=O)c2cccs2)C[C@@H](C)O1 270039 FNFUHIIRUAOWNA-RKDXNWHRSA-N 261.368 1.546 0 50 CDAA COc1ccc(S(=O)(=O)n2ccnc2)c(C)c1C 1069607 XISQMRRKWJIKOE-UHFFFAOYSA-N 266.322 1.746 0 50 CDAA C[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)O 1473233 OYWVWLMGRUMNDR-SNVBAGLBSA-N 273.288 1.808 0 50 CDAA O=C1N(CCO)CCC[C@@]12CCCN2Cc1ccccc1 2356141508 FFTPSZNZQUYTJZ-QGZVFWFLSA-N 288.391 1.636 0 50 CDAA Nc1cccc(-c2cnc3c(N4CCOCC4)nccn23)c1 2356156264 ZGOYHNHVXCAEOL-UHFFFAOYSA-N 295.346 1.815 0 50 CDAA COc1nccn2c(-c3ccccc3CO)cnc12 2356157094 DROWOGIIWPXYND-UHFFFAOYSA-N 255.277 1.897 0 50 CDAA C[C@H](SC1=NS(=O)(=O)c2ccccc21)C(=O)O 4207097 WCKZNZVNQVLTCS-LURJTMIESA-N 271.319 1.342 0 50 CDAA CN(C(=S)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 4305087 GLPROGXZGAGHSP-SNVBAGLBSA-N 290.454 1.313 0 50 CDAA CCc1noc(C)c1C(=O)N[C@H](C)[C@H]1CCCO1 6698598 WUOZZXIIIIEFBS-LDYMZIIASA-N 252.314 1.843 0 50 CDAA CC(C)Oc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 6747160 MKLZASZQTLHQTR-UHFFFAOYSA-N 290.363 1.811 0 50 CDAA COc1cc(OC)c(C(=O)Nc2ccon2)cc1OC 6735488 QXGXFLAPPKNYFN-UHFFFAOYSA-N 278.264 1.953 0 50 CDAA Cc1nc2nc(C(=O)O)nn2c(O)c1Cc1ccccc1 10013423 DCIPJQUOUGEZNF-UHFFFAOYSA-N 284.275 1.427 0 50 CDAA O=C1C[C@@H](NCc2ccncc2)C(=O)N1c1ccc(F)cc1 100570843 LVYNCMDCAFHJJE-CQSZACIVSA-N 299.305 1.642 0 50 CDAA Cn1ccnc1-c1c(-c2ccccc2)ncn1C(CO)CO 65371727 QNMIHBSAMNXZBE-UHFFFAOYSA-N 298.346 1.476 0 50 CDAA CCCc1cc(C(=O)NCCc2nc(C(C)C)no2)[nH]n1 68484300 WTRWISVNMJUMIK-UHFFFAOYSA-N 291.355 1.841 0 50 CDAA CCc1cnc(C)nc1N(C)CCn1ccnc1C 65406852 CZDCDJDHKAYXKI-UHFFFAOYSA-N 259.357 1.989 0 50 CDAA Nc1nnc(CC(=O)N[C@@H]2CCc3ccccc3C2)s1 20860212 JJSHVJCSLIBQNN-LLVKDONJSA-N 288.376 1.337 0 50 CDAA O=C(Nc1ccc(-n2cc(CCO)cn2)cn1)C1CC1 65409918 RXIAITITZRQKFQ-UHFFFAOYSA-N 272.308 1.151 0 50 CDAA O=C1CN(C(=O)c2ccc(-c3ccccc3)s2)CCN1 23419212 OXMIKOPVCBRJNI-UHFFFAOYSA-N 286.356 1.987 0 50 CDAA O=C(CNC(=O)C1Cc2ccccc2C1)Nc1cccnc1 431630634 MKLVECUXVHQJSN-UHFFFAOYSA-N 295.342 1.551 0 50 CDAA CC[C@H](Nc1cccc(OC)c1)C(=O)N1CC(O)C1 65409120 PYOMPBDCKXBZCP-ZDUSSCGKSA-N 264.325 1.089 0 50 CDAA CCCN1C[C@H](C(=O)Nc2cc(C)on2)CC1=O 33359507 CTYPJLWTLXXDFI-SECBINFHSA-N 251.286 1.180 0 50 CDAA CCc1ncnc(N[C@H](C(N)=O)c2ccc(F)cc2)c1F 129668314 CSMNFESOBSJXJD-LBPRGKRZSA-N 292.289 1.956 0 50 CDAA c1cc2c(c(-c3nc([C@H]4CCOC4)no3)c1)OCO2 120262638 SEEKRDQFFOEIEM-QMMMGPOBSA-N 260.249 1.969 0 50 CDAA CN1CC[C@@H]2CCN(C[C@@H](O)COC(C)(C)C)[C@@H]2C1 253417075 LENXEFFBRGIKCU-MGPQQGTHSA-N 270.417 1.188 0 50 CDAA CC(C)c1nnsc1CN1CC[C@]2(C1)CN(C)C(=O)O2 72143393 KZRHKXHSFWYODA-CYBMUJFWSA-N 296.396 1.688 0 50 CDAA CCCn1c(CO)nnc1S(=O)(=O)CC1CCCC1 330583270 RWQPYQPDAYBLJO-UHFFFAOYSA-N 287.385 1.144 0 50 CDAA c1cc([C@@H]2CCCN(CCOC[C@H]3CCCO3)C2)[nH]n1 257365598 WMXZNDFOAFMUSG-ZIAGYGMSSA-N 279.384 1.785 0 50 CDAA O=C1CN(C(=O)Nc2cccc(-n3cccc3)c2)CCN1 171774304 UECKRCLWCNXSHH-UHFFFAOYSA-N 284.319 1.441 0 50 CDAA Cc1oncc1C(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21 217654238 MTZUEXPGJHHSAP-NSHDSACASA-N 299.330 1.863 0 50 CDAA O=C(C=C1CCC1)NC[C@@H]1CN(C2CC2)CCO1 154927467 WBKUOFNUOAOXRY-CYBMUJFWSA-N 250.342 1.076 0 50 CDAA CN(Cc1cscn1)C(=O)[C@H]1CC12CCNCC2 70255795 LIPWYUHYIKLKAA-LLVKDONJSA-N 265.382 1.491 0 50 CDAA COc1cc2c(cc1CN(C)Cc1ccn[nH]1)OCCO2 215621340 OFPZWKIQCXVBJY-UHFFFAOYSA-N 289.335 1.822 0 50 CDAA COc1ccc(CN2CCC(N3CCOCC3)CC2)cn1 215940134 VLCRBRMYJSVSEN-UHFFFAOYSA-N 291.395 1.387 0 50 CDAA Cn1cncc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 281508261 BFEXYVMRFMIZNE-HUUCEWRRSA-N 275.327 1.867 0 50 CDAA C[C@@H]1CCCN(C(=O)CCCOc2cccnc2)[C@@H]1CN 156931305 OIWBLSYUWSMUHW-UKRRQHHQSA-N 291.395 1.826 0 50 CDAA CCc1cccc2c(CCNC(=O)[C@H]3CCNC3)c[nH]c12 237006024 BVXRGBFVCRNYGT-AWEZNQCLSA-N 285.391 1.999 0 50 CDAA CC(C)C[C@H](C)NC(=O)N1CCN(C(=O)C2CC2)C1 333499383 HQCFBIUXEAFXNQ-NSHDSACASA-N 267.373 1.642 0 50 CDAA CCc1ccc(CC(=O)N2CC[C@@H](C(=O)O)C2)cc1 237155323 MBZCOLNLXSAHNB-CYBMUJFWSA-N 261.321 1.725 0 50 CDAA Cc1nc(CN(C)[C@@H]2CCN(Cc3cc[nH]c3)C2)no1 374430213 RMSZZUHEPJETMI-CYBMUJFWSA-N 275.356 1.412 0 50 CDAA CC(C)n1cc(C(=O)N[C@H](C)CCc2cccn2C)nn1 340746189 UARWQSHIBYNEAI-GFCCVEGCSA-N 289.383 1.949 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ncc(F)cc2F)N(C)C1 284823946 ASOLRHDDUXBILS-QWRGUYRKSA-N 299.321 1.151 0 50 CDAA CC(C)[C@@H](NC(=O)c1cccnc1O)c1nccn1C 220478996 IYVPWFHXWPJRDN-LLVKDONJSA-N 274.324 1.648 0 50 CDAA COC(=O)[C@@H]1CCN(C[C@H](O)C(F)(F)F)C[C@@H]1C 225600809 NOFMBKAGFXNTPR-YIZRAAEISA-N 269.263 1.041 0 50 CDAA Cc1ccc([C@](C)(O)CNC(=O)c2c(C)noc2C)o1 176715791 VXIGAGXJZPOONB-CQSZACIVSA-N 278.308 1.830 0 50 CDAA O=C(O)C1CCN(C(=O)[C@@H]2CCCN3CCCC[C@H]23)CC1 426563219 HTOCQJCLHZNMNO-ZIAGYGMSSA-N 294.395 1.574 0 50 CDAA O=c1nc[nH]c(O)c1-c1ccc(Br)cc1 84193530 PIUMVXYVNAISNG-UHFFFAOYSA-N 267.082 1.905 0 50 CDAA Cc1sc2ccccc2c1CN1C[C@@H](N)[C@H](O)C1 426551111 LPIDZPNDIYTFMG-CHWSQXEVSA-N 262.378 1.714 0 50 CDAA CC(C)c1nc(CCNC(=O)c2cc(C(F)F)[nH]n2)no1 426711487 PYAVHEUMRGKRNC-UHFFFAOYSA-N 299.281 1.826 0 50 CDAA Cc1nn(C)c2nc(N[C@H](C)c3nnc(N)s3)sc12 96162019 FPYOAKWCRSNXQO-RXMQYKEDSA-N 295.397 1.945 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)C1 179024748 QRHJOZVRVYRSCO-LBPRGKRZSA-N 292.379 1.694 0 50 CDAA Cc1cnc(CNC(=O)CCc2c(C)nn(C)c2C)cn1 97822947 PHZDIMJYBREYDK-UHFFFAOYSA-N 287.367 1.384 0 50 CDAA c1cc(-c2nc[nH]n2)cc(-c2nc([C@H]3CCOC3)n[nH]2)c1 97213332 KJTJPBAMZVKHAH-NSHDSACASA-N 282.307 1.761 0 50 CDAA CC1(C)CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1c1ccccc1 91754902 WFLIZPGMXAINNW-CYBMUJFWSA-N 286.375 1.904 0 50 CDAA O=C([C@H]1CCCCn2nnnc21)N1CCC(F)(F)CC1 97675344 YMBTVQHUNWYSOE-VIFPVBQESA-N 285.298 1.198 0 50 CDAA Cc1nc(N[C@H]2Cc3ccccc3[C@@H]2N)c2cnn(C)c2n1 95355821 LIWFYFHPGZEVKD-KBPBESRZSA-N 294.362 1.708 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CC[C@H](N)C2)n(Cc2ccccn2)n1 237813903 JSEDGYXWOHPTJI-OLZOCXBDSA-N 299.378 1.701 0 50 CDAA Cc1ccc(-c2cc(C(=O)N3C[C@@H](O)CO3)[nH]n2)s1 92037173 FZTPMGHRTLGNHV-MRVPVSSYSA-N 279.321 1.195 0 50 CDAA CC[C@@H](NC(=O)CCN1CCCCO1)[C@H]1C[C@@H](O)C1 244748716 ONBSPWJUNIMDJH-FRRDWIJNSA-N 270.373 1.070 0 50 CDAA COCCN1CC[C@H](C(=O)N2CC(c3nccs3)C2)C1 243902101 BFZZHWTYUZAZBN-NSHDSACASA-N 295.408 1.037 0 50 CDAA N[C@H]1C[C@H](c2nnc(CN3CCSCC3)n2C2CC2)C1 244887836 YPKPLFZBLTWNOZ-XYPYZODXSA-N 293.440 1.367 0 50 CDAA CCN1CCC[C@@H]1CN(CCO)Cc1nccs1 244763990 OZGANXDOUYJDLH-GFCCVEGCSA-N 269.414 1.422 0 50 CDAA CC(C)n1ccc(C(=O)NC[C@@H](C)CCCO)n1 295377411 HZOUYAPUIDVDDW-NSHDSACASA-N 253.346 1.602 0 50 CDAA C[C@@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@@H]1C(=O)OC[C@@H]1CCCO1 253566734 JIAFMXROXFYHJT-IXRFVVGDSA-N 282.336 1.686 0 50 CDAA CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@H]1C[C@@H](O)C1 298441272 PHTKXEAEUTZOBK-JFGNBEQYSA-N 296.392 1.142 0 50 CDAA CCc1nc(CCNC(=O)CN2[C@@H](C)CCC[C@H]2C)no1 252488223 INVCYTHCPHMBOI-TXEJJXNPSA-N 294.399 1.554 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)N(C)C[C@@H]2CCOC2)c1 534665412 OFDDVORZRXHBSA-JTQLQIEISA-N 293.319 1.502 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1oc(CC)nc1C 534676695 YRJRLVAVBVJVGJ-UWVGGRQHSA-N 268.313 1.079 0 50 CDAA NC(=O)c1cncc(NC[C@@H]2CCN(C3CCCC3)C2)n1 534662693 ATZAZCMAUXHGQT-NSHDSACASA-N 289.383 1.252 0 50 CDAA CCCN(CC(=O)O)C(=O)c1cc(-n2cccn2)ccn1 184897319 WASVYUOMUOEXGC-UHFFFAOYSA-N 288.307 1.204 0 50 CDAA CNC(=O)c1ccc(C[C@H]2CC(=O)N(CCOC)C2)cc1 299800186 WZZZZKITHDVBPZ-ZDUSSCGKSA-N 290.363 1.084 0 50 CDAA Cn1cnc(C(=O)N[C@@H]2CCCN(C3CCCC3)C2)c1 299800261 XLGIBIKTFXABFP-GFCCVEGCSA-N 276.384 1.557 0 50 CDAA CC(C)Cc1nc(CNC(=O)[C@@H](C)OC(C)C)no1 299784465 JSNDMYNWRHEKNP-SNVBAGLBSA-N 269.345 1.698 0 50 CDAA CC(C)CS(=O)(=O)N1CC(Oc2ccccc2)C1 821387172 HXPBVMOMKDQENS-UHFFFAOYSA-N 269.366 1.735 0 50 CDAA CCS(=O)(=O)NC[C@H](C)NCc1cnc(C)cc1C 823412703 HLEYGCXIYNEFGL-LBPRGKRZSA-N 285.413 1.116 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NCCCO)C[C@H]1C2 585136486 IDABPHTXYUCRAB-RWMBFGLXSA-N 284.400 1.746 0 50 CDAA O=C(Cc1ccc(NC(=O)[C@H]2CCCO2)cc1)NC1CC1 827848716 RVIZAAIWCURIBY-CQSZACIVSA-N 288.347 1.625 0 50 CDAA Cc1nc(CN(C)CC2(CO)CCC2)n(C)c1C 670438312 LXKTYUQEMATYCM-UHFFFAOYSA-N 251.374 1.631 0 50 CDAA Cc1cc(CNC(=O)N2CCSCC2)cnc1C 584896316 JIKODWUUOABHFJ-UHFFFAOYSA-N 265.382 1.957 0 50 CDAA CCCc1ncncc1C(=O)N(C)C[C@@H]1CCOC1 670468146 IABOPFQIHMVQNW-NSHDSACASA-N 263.341 1.538 0 50 CDAA O=C(c1ccoc1)N1CCCN(CC[C@@H]2CCOC2)CC1 670444589 YFYSCBCUPGBYHA-CQSZACIVSA-N 292.379 1.854 0 50 CDAA CNC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1F 133204010 GVMHEUFNLPMGNK-JTQLQIEISA-N 290.335 1.337 0 50 CDAA CO[C@@]1(C)C[C@H](N(C)C(=O)c2conc2CN)C1(C)C 1548548886 YJWIQKWEFSOJMI-FZMZJTMJSA-N 281.356 1.409 0 50 CDAA CC[C@@H](C)[C@H](C(=O)NCCc1ccncc1)n1cnnn1 1565520621 YQRVSKROTBWXFB-DGCLKSJQSA-N 288.355 1.014 0 50 CDAA C[C@H](CC(=O)N1CCOC[C@@H]1C(=O)O)c1ccccc1F 268988110 QRYKSDKQPGVUPK-ZWNOBZJWSA-N 295.310 1.631 0 50 CDAA Cn1cnc(S(=O)(=O)N[C@H]2CC(C)(C)OC2(C)C)c1 272179982 SHGDONZFLITWQW-VIFPVBQESA-N 287.385 1.045 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N[C@@]23CCC[C@H]2NCC3)c1 1579823052 WSNFNGAAOOXBDQ-CZUORRHYSA-N 299.378 1.141 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)CCc3cscn3)C[C@@H]12 185125798 BLVIOZXPUQQPNT-MVWJERBFSA-N 265.382 1.271 0 50 CDAA CN(C[C@H]1CCCO1)C(=O)c1ccn([C@H]2CCCNC2)n1 275519158 DUXHXLJSTQEAKQ-QWHCGFSZSA-N 292.383 1.059 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCCCO2)cc(O)n1 133463569 VXECYXLZPBTTER-NSHDSACASA-N 250.298 1.395 0 50 CDAA C[C@]1(O)CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 277281940 SHTNEIOBUBUXLM-JQFCIGGWSA-N 287.359 1.710 0 50 CDAA CO[C@@H](C(=O)NC(C)(C)C(=O)N(C)C)c1ccccc1 514824176 QNFXKWAZENOSJG-GFCCVEGCSA-N 278.352 1.357 0 50 CDAA CCc1nc(=NC(=O)N2C[C@H](C)OC3(CCC3)C2)o[nH]1 515350843 GOFHZZQUTSXYFG-VIFPVBQESA-N 280.328 1.229 0 50 CDAA CCOC(=O)[C@H](C)[C@H](C)Nc1cc(CC)nc2ncnn12 170614941 JSRSDRLJIZCPSQ-ZJUUUORDSA-N 291.355 1.686 0 50 CDAA CC1(S(=O)(=O)NCCc2c[nH]c3ncccc23)CC1 516951740 YBNGXBBLARUSAC-UHFFFAOYSA-N 279.365 1.577 0 50 CDAA O=C(Cc1cccs1)N=c1ccn([C@@H]2CCNC2)[nH]1 548345140 MICICMMYDGEZID-SNVBAGLBSA-N 276.365 1.082 0 50 CDAA Cc1nccc(C(=O)N[C@@]2(C(=O)O)CCc3ccccc32)n1 675988351 HHDNPLQLLHLJGG-INIZCTEOSA-N 297.314 1.441 0 50 CDAA CO[C@@]1(C)CCCN(C(=O)c2cc3ncccn3n2)C1 644965206 VRCRJGKCAMOJQA-AWEZNQCLSA-N 274.324 1.370 0 50 CDAA c1ccc2c(c1)OC[C@@H](CN1CCc3n[nH]cc3C1)O2 585117158 SNNFRUZZBNKBAP-GFCCVEGCSA-N 271.320 1.608 0 50 CDAA CC(C)(C)n1nnnc1CN1CCC=C(Cl)C1 585115963 BSNAIMSMQGYULE-UHFFFAOYSA-N 255.753 1.757 0 50 CDAA COC(=O)C1CCC(N[C@@H]2CCCC[C@H]2O)CC1 192442529 LNDCZOVDXCWIAX-FIYWTHMPSA-N 255.358 1.611 0 50 CDAA CS(=O)(=O)CCOCCN[C@@H]1CCCc2occc21 193008068 FXFSOKMNKNVCKJ-GFCCVEGCSA-N 287.381 1.308 0 50 CDAA CC1(C)CN(C(=O)[C@]2(O)CCOC2)[C@H]1c1ccncc1 563815234 VMPYXGWBVBCMPO-WFASDCNBSA-N 276.336 1.143 0 50 CDAA Cc1cc(F)ccc1CS(=O)(=O)Cc1ccnn1C 194444537 RKVMXZOJXIBDML-UHFFFAOYSA-N 282.340 1.983 0 50 CDAA CC(=O)c1ccc(=O)n(Cc2ccn(C(C)C)n2)n1 195426767 AOQRCVOJUBZGBO-UHFFFAOYSA-N 260.297 1.272 0 50 CDAA COc1cccnc1CNC(=O)[C@H]1CCCc2n[nH]cc21 1647597244 DNAROTORDSYADW-JTQLQIEISA-N 286.335 1.550 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)Nc1cc[nH]n1 1650376405 NXIHCETWWFQBQS-AWEZNQCLSA-N 272.308 1.157 0 50 CDAA COCC[C@@H]1CN(Cc2ccncc2Cl)CCO1 215542338 LZQJJFISMCUVHW-GFCCVEGCSA-N 270.760 1.972 0 50 CDAA CCc1nccn1C[C@@H](C)NCCC(=O)N1CCCC1 1506412755 OCWVQANVFLOWJN-CYBMUJFWSA-N 278.400 1.436 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)CN2Cc1cccc(OCCO)c1 212577893 FDGGZPHEEVOWBU-CVEARBPZSA-N 290.407 1.584 0 50 CDAA Cc1c(NC(=O)CN(C)Cc2ccncc2)cnn1C 1529139769 SLKZYZUTQRXDHM-UHFFFAOYSA-N 273.340 1.194 0 50 CDAA CNC(=O)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 222568195 XUISPYYHWYCXOP-VIFPVBQESA-N 284.718 1.687 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccncc1Cl 122608082 CYQGMOSGLOZRIW-SECBINFHSA-N 253.733 1.559 0 50 CDAA COC(=O)c1cc(OC)cc(C(=O)OC)c1Cl 1535642593 UQEVPFRSBNGWCX-UHFFFAOYSA-N 258.657 1.922 0 50 CDAA Brc1cn2ncnc2c(Br)n1 35269727 KUILFTQAMHFSPW-UHFFFAOYSA-N 277.907 1.649 0 50 CDAA in-vitro CCc1cnc(N)nc1NCC1(N(C)C)CCN(C)CC1 1772706226 RAQBDSLZCSJEAB-UHFFFAOYSA-N 292.431 1.059 0 50 CDAA OCC1(CO)[C@H]2CN(CCCCc3ccccc3)C[C@@H]21 1772809598 YNSGJXRXHVBXCF-HOTGVXAUSA-N 275.392 1.542 0 50 CDAA Cc1nc[nH]c1-c1nccn1C[C@H]1CC(=O)N(C)C1 1857731690 XIGVNMQLSRWAAN-JTQLQIEISA-N 259.313 1.060 0 50 CDAA CC(C)(C)NS(=O)(=O)c1csc(C(=O)O)c1 12381502 XQYHBFDKLCRCGU-UHFFFAOYSA-N 263.340 1.523 0 50 CDAA COCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 12595823 WZIJUDQFUVYXFU-NSHDSACASA-N 296.754 1.204 0 50 CDAA CCc1c(C(=O)NCCN2CCOCC2)csc1C 13744431 ZIWQCAFJCGVHSR-UHFFFAOYSA-N 282.409 1.681 0 50 CDAA CCN1C(=O)N(C)C(=O)C12CCN([C@H]1CCSC1)CC2 14742896 YXHBEIPQFADFCA-NSHDSACASA-N 297.424 1.240 0 50 CDAA COC(=O)/C(=C\c1ccc(NC(C)=O)cc1)NC(C)=O 169620359 PHTOIEGXKOZQMV-MDWZMJQESA-N 276.292 1.295 0 50 CDAA OCc1nnc2c(Cl)cc(C(F)(F)F)cn12 169620384 RBTWZKPSRCNDAL-UHFFFAOYSA-N 251.595 1.894 0 50 CDAA O=C(O)c1ncc(C(F)(F)F)cc1N1CCOCC1 169805726 PVQNCSCEJUDRSO-UHFFFAOYSA-N 276.214 1.635 0 50 CDAA Cc1nc(N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)c2[nH]ccc2n1 1857690531 MMJUHMHRXJVAGC-NIFPGPBJSA-N 269.352 1.453 0 50 CDAA OC[C@@H]1CN(c2ncnc3c(F)c(F)ccc23)CC[C@@H]1O 1857527693 HGRRSMNVGPMZMB-KWQFWETISA-N 295.289 1.088 0 50 CDAA OC[C@]12COCC[C@H]1CN(CCOc1ccc(F)cc1)C2 1857669307 WOUHQISVYMBRNA-XJKSGUPXSA-N 295.354 1.535 0 50 CDAA CCc1nccc(-c2nccn2[C@@H](C)c2nncn2C)n1 1857735052 FIKREDSJQBPYIV-JTQLQIEISA-N 283.339 1.640 0 50 CDAA O=C1CC2(CCCC2)C(=O)N1CCO[C@H]1CCCCO1 253429390 SZEIPJWUCQSCHY-ZDUSSCGKSA-N 281.352 1.849 0 50 CDAA Cc1nc(=NC(=O)c2nc3ccccc3[nH]2)[nH]n1C(C)C 1875251137 XVANGBHRYDPTMR-UHFFFAOYSA-N 284.323 1.718 0 50 CDAA O=c1/c(=N\Nc2ncccn2)c2cccc3cccc1c32 222070123 QQFBELNVCGKRMB-RGEXLXHISA-N 274.283 1.947 0 50 CDAA N[C@H]1CCCC[C@H]1CC(=O)NCc1ccccc1CO 517367972 YYCBFGVNPNCXJX-WFASDCNBSA-N 276.380 1.703 0 50 CDAA Cc1cc([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)n[nH]1 328680038 NJHJLHRCPNPNDQ-LBPRGKRZSA-N 287.367 1.780 0 50 CDAA CC1=NN(c2ccc(C(=O)N3CCC[C@H]3CO)cc2)CC1 125024061 IRHWMHGMFNBJQD-HNNXBMFYSA-N 287.363 1.870 0 50 CDAA CC(=O)NC[C@H]1CN(c2cccc(F)c2)C(=O)O1 11524873 RUKDAFXYNGLEBZ-NSHDSACASA-N 252.245 1.287 0 50 CDAA in-vitro Cc1nc(C[C@H]2CCCN(C(=O)[C@@H](N)CC(C)C)C2)no1 156224382 GYFKBBFWLRNIBO-OLZOCXBDSA-N 294.399 1.533 0 50 CDAA Cn1nc(C2CC2)nc1CN[C@@H]1CCNC12CCC2 903472722 VMSCWMFZLZEXCZ-LLVKDONJSA-N 261.373 1.067 0 50 CDAA Cc1nc(N2C[C@H]3COC[C@@H](C2)CN3C)ccc1Cl 1704330638 YONIYVCAKIQIAX-NEPJUHHUSA-N 281.787 1.810 0 50 CDAA O=C(Nc1cccc(Cc2nn[nH]n2)c1)[C@H]1CCCCO1 910042400 MXVPUUDGORWWGQ-GFCCVEGCSA-N 287.323 1.298 0 50 CDAA CC[S@@](C)(=O)=NC(=O)Cc1ccc2c(c1)NC(=O)C2 925828465 GVQAYFPTGQIBGO-LJQANCHMSA-N 280.349 1.368 0 50 CDAA Cc1cccn2cc(C(=O)NC[C@H](O)C(F)(F)F)cc12 928996613 YQFMGIUGBAAOCZ-NSHDSACASA-N 286.253 1.901 0 50 CDAA CCCN(C(=O)c1nc(C)n2ccccc12)[C@H]1CCNC1 832626847 XYUMZXWIOIXPRU-ZDUSSCGKSA-N 286.379 1.857 0 50 CDAA Cc1cccnc1NC(=O)CN1Cc2c[nH]nc2[C@@H](C)C1 931465989 IPEGRQNMYQIMOB-NSHDSACASA-N 285.351 1.671 0 50 CDAA C=CC(=O)NCCc1cccc2c1OC(F)(F)O2 1120553102 UKKHZIFBNVPOKX-UHFFFAOYSA-N 255.220 1.853 0 50 CDAA CNc1nc(C)cc(N[C@@H](CO)c2ccccc2)n1 126757696 PBNJLPPEBDYMQR-LBPRGKRZSA-N 258.325 1.972 0 50 CDAA COc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C(=O)N2 21990481 OTPXJHDUEWRZTQ-JTQLQIEISA-N 276.292 1.261 0 50 CDAA CCn1nc(C)cc1C(=O)N1CC[C@@H](c2n[nH]cc2N)C1 864381292 XCZHNKQGCCXEGF-SNVBAGLBSA-N 288.355 1.146 0 50 CDAA CCc1ncnc(N2CC(NC3CCC3)C2)c1F 952995273 GWDZEDDFAURDDJ-UHFFFAOYSA-N 250.321 1.509 0 50 CDAA Cc1cc(=NC[C@H]2CCC3(CC(C(=O)O)C3)O2)[nH]c(C)n1 1875283672 ZRYOGNJYYMLNLF-MQYJIDSJSA-N 291.351 1.340 0 50 CDAA COC(=O)c1nc(NC(=O)[C@@H](C)OC)n2ccccc12 1875276293 WWPFHJHBZNAENX-MRVPVSSYSA-N 277.280 1.094 0 50 CDAA CCc1nc(O)cc(CN2C[C@H](C)NCC2(C)C)n1 1875324045 ZMFRFUXMKWKLPH-JTQLQIEISA-N 264.373 1.317 0 50 CDAA C=CC(=O)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 1875369993 VASCPGGRRUEMIJ-JTQLQIEISA-N 269.297 1.346 0 50 CDAA C[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CCO1 1875311260 RTUHRTVIGWMDGI-GUWRXMSHSA-N 267.325 1.027 0 50 CDAA Cc1c(Cl)n[nH]c(=NCC2(n3nccn3)CC2)c1C 1875396778 AUKYAGBNCSLUJU-UHFFFAOYSA-N 278.747 1.361 0 50 CDAA Cc1noc(=O)n1Cc1ncc(-c2cccc(F)c2)o1 1875391369 UUMTWRXQRUPDIW-UHFFFAOYSA-N 275.239 1.987 0 50 CDAA O=c1ccn(C2CCCC2)c(=O)n1Cc1cncs1 1875404492 KULWFKANHOQDKM-UHFFFAOYSA-N 277.349 1.630 0 50 CDAA Oc1cc(N2CCN(CC3CC3)CC2)c2cccnc2n1 1775992928 WVCQXXZOHMUPOH-UHFFFAOYSA-N 284.363 1.867 0 50 CDAA O=C(O)C[C@@H]1C[C@@H](F)CN1C(=O)Cc1ccc(O)cc1 1775999134 QLCFVZBDLPCVQT-MNOVXSKESA-N 281.283 1.348 0 50 CDAA COC[C@@](CC1CCOCC1)(Nc1ccn(C)n1)C(=O)O 1775996705 FGXDRJZTWDKCER-CQSZACIVSA-N 297.355 1.119 0 50 CDAA Cc1cc(C)c(CC(=O)N2C[C@@H](N)C3(CCC3)C2)c(O)n1 1775961912 IINZDXLEJPWYGW-CYBMUJFWSA-N 289.379 1.286 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccnnc1 253625190 WFGFGEIGTQEBLD-JLLWLGSASA-N 275.308 1.335 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 179234509 BANZZCACAJQPOB-JTQLQIEISA-N 291.294 1.514 0 50 CDAA CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H](N)CC1 72156630 QOCVLXDEQLXEPM-LBPRGKRZSA-N 278.400 1.980 0 50 CDAA CN(C(=O)[C@@H]1CCC[C@@H]2C[C@H]21)[C@H]1C[C@@H](C(=O)O)C1 659232446 ZXQKOCGKUIBQOG-RMPHRYRLSA-N 251.326 1.744 0 50 CDAA CCc1nsc(N2CC[C@H](O)CC23CCC3)n1 420638483 QEHJALHQWWLXOO-VIFPVBQESA-N 253.371 1.984 0 50 CDAA CC(C)(C)N1CC[C@H](NC(=O)CCCC(=O)O)C1 426571335 BCJVSJXSXQBVHN-JTQLQIEISA-N 256.346 1.230 0 50 CDAA Cc1[nH]nc2ccc(C(=O)N[C@@H](C)C3CCNCC3)cc12 2325760867 TWEFWWUOWLAILB-JTQLQIEISA-N 286.379 1.989 0 50 CDAA Cc1ccc(=NC(=O)Nc2cnn(C)c2C2CC2)[nH]n1 2325761167 CFBJSAOTKWIWJH-UHFFFAOYSA-N 272.312 1.462 0 50 CDAA CC1(C)COC(=O)[C@H]1NC(=O)c1cccn2nccc12 879949971 AXFSBOBARZKHNM-LLVKDONJSA-N 273.292 1.016 0 50 CDAA CNC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 400436 HRSDGEOMISYTSZ-UHFFFAOYSA-N 266.253 1.011 0 50 CDAA CCOC(=O)[C@](CC)(CCC(=O)O)c1csc(N)n1 2361460 WKUDDFASHAJETJ-GFCCVEGCSA-N 286.353 1.801 0 50 CDAA Cn1cnc2nc(-c3ccc4c(cnn4C)c3)ncc21 2356145783 WMHXHEMEOZZAKG-UHFFFAOYSA-N 264.292 1.917 0 50 CDAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCCCC2)N[C@@H]1C(C)C 2441150 QCAZAEYHWCNBBL-NWDGAFQWSA-N 295.383 1.162 0 50 CDAA CC1=C(C(=O)N(C)C)[C@@H](c2cccs2)NC(=S)N1 2492266 LAKAAXYLSYLGIE-SNVBAGLBSA-N 281.406 1.629 0 50 CDAA CCOC(=O)[C@@H](OC(C)=O)P(=O)(OCC)OCC 2526367 QHQNXSICNKWLOC-JTQLQIEISA-N 282.229 1.705 0 50 CDAA in-vitro O=C1c2cccc3cccc(c23)C(=O)N1CCCO 4009270 KNOPSCVGIXLTNF-UHFFFAOYSA-N 255.273 1.818 0 50 CDAA O=C(Nc1nncs1)[C@@H]1CC(=O)N(c2ccccc2)C1 4731683 YFZJZERXOZIQTB-SECBINFHSA-N 288.332 1.530 0 50 CDAA COc1cccc2cc(C(=O)NCCN(C)C)c(=O)oc12 4805216 RUILTXSESDILPX-UHFFFAOYSA-N 290.319 1.093 0 50 CDAA Cc1nnc(NC(=O)C2CCN(C(=O)N(C)C)CC2)s1 59759735 CAEIRKAUTUAAPL-UHFFFAOYSA-N 297.384 1.179 0 50 CDAA CN(C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 110999593 MGWHGQMDLITQBR-SECBINFHSA-N 257.334 1.267 0 50 CDAA C[C@@](O)(CNC1CCC(O)CC1)c1cccs1 225633693 MFUIUAVYVFTFAK-GCZXYKMCSA-N 255.383 1.849 0 50 CDAA COCCN(C)C(=O)CCc1c(C)nn(C)c1C 55930629 AFTFPFMRALHDEZ-UHFFFAOYSA-N 253.346 1.074 0 50 CDAA CCOC(=O)c1noc(C)c1I 113830756 CIAFQPZJFZGWNG-UHFFFAOYSA-N 281.049 1.764 0 50 CDAA CCOc1ccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)cc1F 344002007 HKQTXFNQSMVTOZ-AAEUAGOBSA-N 296.342 1.299 0 50 CDAA Cc1cc(N[C@@H](Cc2ccccc2)C(=O)O)n2ncnc2n1 347232083 LEOBXXDRKNDNEX-LBPRGKRZSA-N 297.318 1.541 0 50 CDAA CCCCc1nc(CN2CCO[C@@H](CN)C2)c(Cl)[nH]1 67675622 LYXSTHQJABHYQD-JTQLQIEISA-N 286.807 1.565 0 50 CDAA O=C(O)CN(C(=O)C1[C@@H]2CCC[C@@H]12)C1CCOCC1 238095335 UBZSGIPDFOHURR-GHMZBOCLSA-N 267.325 1.125 0 50 CDAA CCn1c(CN2CCN(C)CC2)nc2ccccc21 20051287 FHCZXUCEHUEJQR-UHFFFAOYSA-N 258.369 1.804 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCOC[C@@H]1CO 253081990 WTWSLRSIRDHJSH-CYDGBPFRSA-N 253.342 1.032 0 50 CDAA COc1c(F)ccc(C(=O)N(C)Cc2ncc[nH]2)c1F 67541779 IBHDORABQNXHBE-UHFFFAOYSA-N 281.262 1.969 0 50 CDAA O=C(O)[C@@H]1C[C@H](n2cc(-c3ccc(F)cc3)nn2)CN1 67473096 ZOARAQYNIFGSNI-QWRGUYRKSA-N 276.271 1.072 0 50 CDAA in-vitro CCS[C@@H]1CC[C@@H](NC(=O)NC[C@@H](O)C2CC2)C1 229844307 BIIWBJMTHMMEEZ-IJLUTSLNSA-N 272.414 1.731 0 50 CDAA C[C@@H]1CC(O)=N[C@H](C(=O)N2CCN(C3CC3)CC2)C1 328785150 OGSPALCAXQOFLY-JQWIXIFHSA-N 265.357 1.048 0 50 CDAA O=S(=O)(Cc1nc(C2CC2)n[nH]1)c1ncccc1Cl 125054514 AMJIIUZJCHQGOQ-UHFFFAOYSA-N 298.755 1.704 0 50 CDAA COc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@H](C)C(=O)O)CO2 262892291 NXJLPEMUQRTZOK-MWLCHTKSSA-N 293.319 1.178 0 50 CDAA CC(C)(O)c1cn(C2CN(C[C@@H]3CCC=CO3)C2)nn1 373911600 RUWIPUTYORLJKU-LBPRGKRZSA-N 278.356 1.055 0 50 CDAA OCCOc1cncc(N[C@@H]2CCCC23CCOCC3)n1 374488492 MYSQPGRTJCCYKY-GFCCVEGCSA-N 293.367 1.609 0 50 CDAA C[C@@H]1COCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 378260985 RLESKNZWJZEQPK-PYEVWLCESA-N 289.331 1.923 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccc(CNC(C)=O)cc1 237255968 PUBRUIWEMXRTPQ-OAHLLOKOSA-N 289.379 1.147 0 50 CDAA CCc1n[nH]cc1C(=O)NCc1c(C)ncc2c1CCNC2 72481069 GPHBDFVFTUIZOZ-UHFFFAOYSA-N 299.378 1.251 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCCN2)C[C@@H](c2ccsc2)O1 237607012 GSNUYALSQAVKHS-WXHSDQCUSA-N 280.393 1.789 0 50 CDAA CCOC(=O)CNCCCNC(=O)OC(C)(C)C 44075826 IUZPINCLTDROJL-UHFFFAOYSA-N 260.334 1.054 0 50 CDAA CCCn1nc(C)c(C(=O)N[C@@H](CC)[C@@H](C)O)c1C 334106758 XKVSQHMDOSGQAN-NEPJUHHUSA-N 267.373 1.799 0 50 CDAA O=C(O)[C@@H]1CC2(CCNCC2)CN1Cc1cccc(O)c1 72163444 QPKDCJJNEIIWHJ-AWEZNQCLSA-N 290.363 1.421 0 50 CDAA CCC[C@@H]1NC(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2C)C1=O 241961400 USEQHRDBTGSQMI-UTUOFQBUSA-N 295.383 1.402 0 50 CDAA CCN(Cc1cccnc1)C(=O)c1cnc(O)cn1 222825339 WETCMTDKMDGUBD-UHFFFAOYSA-N 258.281 1.240 0 50 CDAA Cc1nc(NC(=O)N2CCc3ccccc3C2)nn1C 48214395 IZRFAURMGPWHPF-UHFFFAOYSA-N 271.324 1.714 0 50 CDAA Cc1cc(S(=O)(=O)N[C@H]2CCN(C)C2)c(C)s1 48907861 IGWIAWTYMUSHQL-JTQLQIEISA-N 274.411 1.347 0 50 CDAA O=C(O)[C@H]1CCCN1c1nnc(C(F)(F)F)s1 160236919 SXOKHCYEMKQKEA-SCSAIBSYSA-N 267.232 1.610 0 50 CDAA CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44902449 NJFJEIZSQZIXQE-UHFFFAOYSA-N 290.772 1.851 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccccn2)C1 286397139 NLJNZTPKGTUIPA-KBPBESRZSA-N 289.379 1.407 0 50 CDAA Cc1nnsc1CN(C)C(=O)[C@]1(C)CCCO1 426495560 CPFMNECAGGUABW-NSHDSACASA-N 255.343 1.374 0 50 CDAA COC[C@@H](NC(=O)C1Cc2ccccc2C1)c1ccnn1C 426574964 DVOSWOVKVPJCJB-OAHLLOKOSA-N 299.374 1.639 0 50 CDAA C[C@@H](C(=O)N(C)C1CCOCC1)n1cc(Cl)cn1 426372534 WCJJITWJPHHPTH-VIFPVBQESA-N 271.748 1.735 0 50 CDAA COC(=O)[C@H](C)N1CCC(OC[C@H]2CCCCO2)CC1 177594787 KBZZVAKWIVUAPK-GXTWGEPZSA-N 285.384 1.598 0 50 CDAA Cc1nc(CNC(=O)c2cc3cc(F)ccc3n2C)no1 426409233 FKRAAYFJZADUCI-UHFFFAOYSA-N 288.282 1.939 0 50 CDAA Cc1cnc(CNC(=O)N(C)CCC[C@@H]2CCCO2)[nH]1 426358691 YTSFCPXRFUDPAJ-GFCCVEGCSA-N 280.372 1.819 0 50 CDAA C[C@@H](CCC(=O)NCc1ccncc1)N1CCCC1 426358686 XSVQCDZDPXALCM-ZDUSSCGKSA-N 261.369 1.962 0 50 CDAA O=C(NCc1cscn1)[C@H]1CC[C@@H](C(=O)O)C1 236450765 KJBVBNUJEIAAIV-JGVFFNPUSA-N 254.311 1.260 0 50 CDAA Clc1ccc(-c2cn(C[C@H]3COCCO3)nn2)cn1 92003975 AWKONJLWTDZUGK-JTQLQIEISA-N 280.715 1.409 0 50 CDAA CCn1cnnc1NC(=O)[C@@H](O)c1ccc(Cl)cc1F 291582121 GFZRFJHGCNWAOV-JTQLQIEISA-N 298.705 1.763 0 50 CDAA c1cc(-n2nc([C@H]3CCOC3)nc2CN2CCCC2)ccn1 97657386 MGXJDZIEWMKZPD-ZDUSSCGKSA-N 299.378 1.762 0 50 CDAA Cc1ccccc1[C@H](C(=O)N1CCC(O)CC1)N(C)C 91462575 HCBSOMLRELSVBB-OAHLLOKOSA-N 276.380 1.581 0 50 CDAA Cn1cc(OCC(=O)N2CCc3ccccc32)cn1 179116686 OEYYFZZWYBHIOL-UHFFFAOYSA-N 257.293 1.388 0 50 CDAA c1ccc(-c2nnc3n2CCN(c2ccncn2)CC3)cc1 91624631 SPHSTRHTTVOTDL-UHFFFAOYSA-N 292.346 1.798 0 50 CDAA c1cc2[nH]nnc2cc1-c1nc([C@H]2CCOC2)no1 96163309 HMQFFHWOROJXOB-QMMMGPOBSA-N 257.253 1.512 0 50 CDAA CC[C@@H](NC(=O)c1cc(O)ccc1C)[C@H]1C[C@H](O)C1 244734794 NMAKTIPETRQSJJ-MPKXVKKWSA-N 263.337 1.980 0 50 CDAA OCC1(CN2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)COC1 534668117 JZJSKBQATVVGNC-RISCZKNCSA-N 299.317 1.081 0 50 CDAA Cc1cc(O)c([C@@H](CC(=O)O)c2cccnc2)c(=O)n1C 524729826 LFANBQYCPNGXSI-NSHDSACASA-N 288.303 1.401 0 50 CDAA biogenic CSC[C@H](C)NC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 245343995 WWTWCMKWMPGOFA-FQUUOJAGSA-N 297.468 1.864 0 50 CDAA O[C@@H]1[C@@H]2[C@H]3C[C@@H]1[C@@H]1[C@@H]3C[C@H]([C@@H]1O)N2Cc1ccccc1 526062138 BBMKMIYCZZQDPH-VPFLNHFLSA-N 271.360 1.247 0 50 CDAA COCCN1C[C@@H](Cc2ccc(C)c(C)n2)CC1=O 252497044 PXWWDHYRLJGQJF-ZDUSSCGKSA-N 262.353 1.736 0 50 CDAA COc1cc(CS(=O)(=O)c2n[nH]c(C3CC3)n2)ccn1 621994281 NLPLZJBPSASJHH-UHFFFAOYSA-N 294.336 1.060 0 50 CDAA Cn1ccnc1CNC[C@@H]1CCCO[C@H]1c1cn[nH]c1 623768838 AYANTXBISPVUKA-SMDDNHRTSA-N 275.356 1.401 0 50 CDAA C[C@@]12O[C@]3(C(F)(F)C(=O)O)[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@@H]([C@H]14)[C@@H]3[C@@H]52 254626716 ATJTZLAAUJOPGP-NJZBLJHOSA-N 268.259 1.622 0 50 CDAA CC[C@@H](C)[C@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1 252478422 ALZJFQWMCJGIFL-SKDRFNHKSA-N 277.324 1.807 0 50 CDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[C@@](C)(C(=O)O)C1 299741112 CVEYKECDUGRXLR-SLEUVZQESA-N 299.367 1.284 0 50 CDAA O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccnc1O 625199935 CNDLMIDKZBXPCQ-GFCCVEGCSA-N 299.286 1.516 0 50 CDAA COC(=O)[C@H]1C(=O)CC(C)(C)N1C(=O)OC(C)(C)C 207019026 UNGYRPMFYJYBMM-SECBINFHSA-N 271.313 1.517 0 50 CDAA Cc1cccnc1[C@@H](C)NC(=O)CCCn1cnnn1 534666178 MUMUWAIUFNGORC-LLVKDONJSA-N 274.328 1.034 0 50 CDAA CO[C@@H]1CCN(S(=O)(=O)c2ccc(SC)cc2)C1 362123097 HOEZOJQSXZCQAT-SNVBAGLBSA-N 287.406 1.818 0 50 CDAA Cc1ccc(F)c(CNC(=O)[C@@H]2CNC(=O)C2)c1F 828302420 GTRABPDGMUOJGK-QMMMGPOBSA-N 268.263 1.026 0 50 CDAA CN1CCN(CC(C)(C)N=c2cc[nH]cc2F)CC1 823789122 IXGOFTHOUZHFRL-UHFFFAOYSA-N 266.364 1.081 0 50 CDAA Cc1nc(CN2CCC[C@H](CCC(N)=O)C2)n(C)c1C 826835083 WBNRBEZETZZUPK-CYBMUJFWSA-N 278.400 1.514 0 50 CDAA CC(C)c1nc(CN2CCO[C@@H](C(=O)N(C)C)C2)co1 584899282 HAILVLOFEGIPDR-GFCCVEGCSA-N 281.356 1.087 0 50 CDAA CCc1nnc(CN(C)c2nnnn2-c2ccccc2)o1 670434565 AZECMRJACOVOFJ-UHFFFAOYSA-N 285.311 1.244 0 50 CDAA CCOc1ccnc(NCC2(N(C)C)CCN(C)CC2)n1 670451386 KAWLMUPVXPGFHE-UHFFFAOYSA-N 293.415 1.313 0 50 CDAA CC(C)c1nccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)n1 670456703 GCPQVJRTJAIITI-GJZGRUSLSA-N 290.411 1.241 0 50 CDAA CCOC(=O)N1CC[C@H](NCCc2nccs2)C1 670462191 DIDXBIFIKJCDJT-JTQLQIEISA-N 269.370 1.506 0 50 CDAA O=C(Nc1ccnnc1)c1ccc2nnc(C(F)F)n2c1 1528450010 QRZSPVYUMDPTTF-UHFFFAOYSA-N 290.233 1.709 0 50 CDAA CN(CCNC(=O)NC1CSC1)Cc1ccc(F)cc1 1434777978 AREDHOJQLMIXTA-UHFFFAOYSA-N 297.399 1.672 0 50 CDAA Cc1cccnc1CN(C)S(=O)(=O)c1cn(C)c(C)n1 952984063 NIAOKMAYPZRJEP-UHFFFAOYSA-N 294.380 1.253 0 50 CDAA Nc1ccnc(N[C@H]2CCOC[C@@H]2Oc2ccccn2)n1 1565510697 NIAXSHHBMBBZBC-QWRGUYRKSA-N 287.323 1.102 0 50 CDAA O=C(N[C@@H]1CNCC[C@@H]1O)c1cc2c(Cl)cccc2[nH]1 1565513429 UKFFTXNMQBFELR-OLZOCXBDSA-N 293.754 1.274 0 50 CDAA C[C@H](CO)NC1CCN(CCc2ccc(F)cc2)CC1 268872137 VMSXDKDIMZGFOK-CYBMUJFWSA-N 280.387 1.803 0 50 CDAA Cc1cc(C)nc(C(=O)N[C@@H](CC(C)C)C(=O)O)c1 388845924 YAOJSDXJZKZZJV-LBPRGKRZSA-N 264.325 1.928 0 50 CDAA O[C@H]1C[C@H](c2cc(F)ccc2F)N(CCn2ccnc2)C1 270867245 LCMZGFZNJPZEOC-SWLSCSKDSA-N 293.317 1.969 0 50 CDAA O=C(c1csc(-c2ncccn2)n1)N1C[C@@H]2C[C@H]2C1 628505356 DSKNAWBOKLQMEU-IUCAKERBSA-N 272.333 1.692 0 50 CDAA COc1cc(Cn2cnc3sc(C)cc3c2=O)on1 629166254 AOGGQLVSTCTVDB-UHFFFAOYSA-N 277.305 1.811 0 50 CDAA NCCC1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1 630516801 KWXYOHUHMIHWEV-UHFFFAOYSA-N 288.395 1.539 0 50 CDAA CC(C)c1cc(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)ncn1 662897869 YRMOWPXEELPQSA-GDPRMGEGSA-N 265.313 1.236 0 50 CDAA CCn1cc(CNc2ccc3oc(=O)[nH]c3c2)cn1 170606937 QHBYKVFPKCIZSN-UHFFFAOYSA-N 258.281 1.950 0 50 CDAA CS[C@@H](C)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 170603756 MRSGWIQNBGVTIZ-JTQLQIEISA-N 290.392 1.882 0 50 CDAA C[C@]1(C(=O)N2CCC[C@@H](CN)C2)CC1(Cl)Cl 170676621 QCSWJRHAHRHLBI-WCBMZHEXSA-N 265.184 1.768 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccnc(F)c2)[C@H]1CN 170677073 DHKJKYIJEWVMTQ-ONGXEEELSA-N 251.305 1.420 0 50 CDAA NCc1cc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)co1 188015637 JKCHHYXZWKSVSL-JHJVBQTASA-N 264.325 1.426 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCN[C@H](C)C1 188443471 GNGGFYMSVLSCTD-SNVBAGLBSA-N 265.357 1.162 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccsc2)cn1 190022378 IPVZLXGGTZPVCT-NWDGAFQWSA-N 277.349 1.742 0 50 CDAA Cc1nnc(COC2CN(C(=O)C[C@H]3C=CCC3)C2)o1 644207023 CKOKJPGGCFJIQH-NSHDSACASA-N 277.324 1.462 0 50 CDAA CO[C@]1(C)CCCN(C(=O)CCc2ncccn2)CC1 577155830 ODXPADPNAVBUDV-OAHLLOKOSA-N 277.368 1.827 0 50 CDAA Cc1nc(C)n(C2CN(C(=O)COc3ccsc3)C2)n1 644886559 HLLHCIJHQMIGQR-UHFFFAOYSA-N 292.364 1.419 0 50 CDAA C[C@]1(CO)C[C@@H](O)CN1Cc1c(F)cccc1F 583651654 QDUCZSSTAFOXQL-NOZJJQNGSA-N 257.280 1.282 0 50 CDAA CCS(=O)(=O)c1ccccc1N(C)CCn1cccn1 195576197 JLGLBURYDOFBSG-UHFFFAOYSA-N 293.392 1.813 0 50 CDAA CCS[C@H]1CCCCN(C(=O)CCc2nn[nH]n2)C1 585131954 KONUBHMTWPRLTF-JTQLQIEISA-N 283.401 1.267 0 50 CDAA CO[C@@H]1CCN(c2ncnc3n[nH]cc23)CC1(C)C 570771756 QYXYKIFPWDPNNS-SNVBAGLBSA-N 261.329 1.604 0 50 CDAA O=C(Nc1cnn(Cc2nn[nH]n2)c1)C1CCCCCC1 738197576 JNIOVIMUEABXMU-UHFFFAOYSA-N 289.343 1.353 0 50 CDAA O=C(N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1cc(C2CC2)no1 659245248 XPUHZKDMIHECEJ-FIDNZITISA-N 290.319 1.781 0 50 CDAA C=CC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 791310711 GTEZKHDBQBOILE-JTQLQIEISA-N 251.307 1.207 0 50 CDAA CCCO[C@@H]1CCCN(Cc2ncnn2CC)C1 1506415502 YCEKPLRTUGUZLB-GFCCVEGCSA-N 252.362 1.689 0 50 CDAA Cn1nc(CNC(=O)[C@]23CCC[C@H]2NCC3)cc1C1CC1 1615546096 JRSCIIUMNRYAOF-ZBFHGGJFSA-N 288.395 1.446 0 50 CDAA C[C@@H](O)CN(Cc1ccccc1Cl)C[C@@H](C)O 214572 LPFZHQQEAZUCTP-GHMZBOCLSA-N 257.761 1.904 0 50 CDAA C1=CC[C@H](CN2CCN(c3ncccn3)CC2)CC1 217809 VHDFZDXXWMVDMW-AWEZNQCLSA-N 258.369 1.955 0 50 CDAA CCC(CC)(CO)CN(C)Cc1cc(O)nc(C)n1 1506410000 CCZFGWAXAFQFHK-UHFFFAOYSA-N 267.373 1.721 0 50 CDAA CN(C)CCc1nnc(NC(=O)Cn2cccc2)s1 1529195927 QYGOAIJXVVOMTP-UHFFFAOYSA-N 279.369 1.082 0 50 CDAA Cc1cnn(C2CCCC2)c1NC(=O)[C@H]1CCC(=O)N1 1529197282 NKQVMONISIEKSF-LLVKDONJSA-N 276.340 1.524 0 50 CDAA CCC[C@@]1(CO)CN(CCn2nccc2C)CC[C@H]1O 1857721854 JAMQWUJBMISLSR-CABCVRRESA-N 281.400 1.037 0 50 CDAA FC(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 16678693 CBYBNUMRYGBXOS-UHFFFAOYSA-N 267.638 1.985 0 50 CDAA in-vitro Cc1ncc(C(F)(F)F)cc1C(=O)N1C[C@@H](N)C[C@H]1C 638928967 DAYXQXAILJYUPU-XCBNKYQSSA-N 287.285 1.971 0 50 CDAA CC[C@]12C[C@@H]1CN(C(=O)Cn1c(=O)oc3ccccc31)C2 1772819817 USJVOJIKBNOXBY-BDJLRTHQSA-N 286.331 1.853 0 50 CDAA CC[C@@]12C[C@@H]1CN(C(=O)c1ccc(-n3cnnn3)cc1)C2 1772817733 IGDTZKJEHRLWOX-DOMZBBRYSA-N 283.335 1.534 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnns1 267384669 HIYNTKGQBYYXIE-PSASIEDQSA-N 255.343 1.329 0 50 CDAA O=C1c2ccccc2[C@@]2(c3ccccc3)NCCN12 19369817 VHOLDVWNAVAZQQ-INIZCTEOSA-N 250.301 1.947 0 50 CDAA O=CN1CCN(Cc2ccccc2Br)CC1 19637259 LGAKFASEJNWVJK-UHFFFAOYSA-N 283.169 1.723 0 50 CDAA Cn1cc(I)c2cncnc21 205136369 IWMGDQPJNFDJFP-UHFFFAOYSA-N 259.050 1.573 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)COCCc2ccccc2)C1 237525236 ZNPSBYFAVGZJCZ-MRXNPFEDSA-N 291.347 1.569 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)N(C)CC1(O)CCOCC1 408383116 GKWFDZPJISYWDB-OLZOCXBDSA-N 285.384 1.192 0 50 CDAA O=C(O)C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc12 1926532 STFMMAZDBQEUDU-OAHLLOKOSA-N 298.342 1.615 0 50 CDAA in-vitro CN(CC1(N(C)C)CCC1)C(=O)N[C@@H]1CCC[C@H]1CCO 225472305 OJVNVVPSHDWSBP-UONOGXRCSA-N 297.443 1.663 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@]2(C1)O3 322307819 XNNFGFGELSPHDF-HGUJLJSRSA-N 283.324 1.486 0 50 CDAA Cc1coc(C)c1C(=O)N1CCO[C@H](Cn2ccnn2)C1 636214484 PSKXJCMEXGPKKW-LBPRGKRZSA-N 290.323 1.029 0 50 CDAA COC(=O)C1(C(=O)Nc2cccc3[nH]cnc23)CC1 134378913 URYKRKPNVKOJNV-UHFFFAOYSA-N 259.265 1.455 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCCC[C@@H]1C(=O)O 262590058 ULEGGFUAJIEIHZ-QJPTWQEYSA-N 285.340 1.036 0 50 CDAA Cc1cc(C2(C(=O)N3CC[C@@H]4[C@H](C(=O)O)[C@@H]4C3)CC2)on1 910853054 XFRVSVZPQQPAIK-UMNHJUIQSA-N 290.319 1.194 0 50 CDAA O=S(=O)(CCc1ccccc1)Cc1cnns1 1875279281 LDSGJQNPCGOZCL-UHFFFAOYSA-N 268.363 1.696 0 50 CDAA CC(C)c1cc(=NC(=O)[C@@H]2CNC(=O)CC2(C)C)[nH][nH]1 1875278659 RUKNDXVBLMAAIQ-VIFPVBQESA-N 278.356 1.056 0 50 CDAA Cc1nc(NC(=O)N[C@H]2C[C@@H](CO)[C@@H]3C[C@H]23)oc1C 1875304747 TUGCRCLUSMZLJX-NAKRPEOUSA-N 265.313 1.430 0 50 CDAA Cc1cnc(Cl)cc1NC(=O)N=c1cc[nH][nH]1 1875359119 VBPBIRUUTOSHHG-UHFFFAOYSA-N 251.677 1.832 0 50 CDAA Cc1nnc(CCN=c2cc(C(F)(F)F)nc[nH]2)o1 1875306547 JXZKSMUCVBANRX-UHFFFAOYSA-N 273.218 1.263 0 50 CDAA CC1(C)[C@@H](CN)C[C@@H]1NC(=O)c1cccn2nccc12 1875317880 LRRBMUDOSCYYHP-MFKMUULPSA-N 272.352 1.438 0 50 CDAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccc2[nH]ccc2c1 1875382557 GXFLEKMTINYHRN-MRVPVSSYSA-N 266.322 1.347 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)NC1(c2ncccn2)CCC1 881995718 USOYZILOTYHPCV-UHFFFAOYSA-N 299.378 1.945 0 50 CDAA C[C@H]1CCC[C@@H](C)N1C(=O)CN1C[C@@H](C)OC[C@H]1C 247946360 IGEPMHBDBSMXOY-XJFOESAGSA-N 268.401 1.885 0 50 CDAA CN(C(=O)OC(C)(C)C)[C@@H]1CCc2nc(N)ncc2C1 1772801511 MRHQNCUDUMLWBF-SNVBAGLBSA-N 278.356 1.783 0 50 CDAA O=C(NCC1(n2cccn2)CC1)c1cc(O)nc(C2CC2)n1 1773790577 VIURLKSRPQAZRV-UHFFFAOYSA-N 299.334 1.175 0 50 CDAA COC(C)(C)C[C@H](C)NC1CCN(S(C)(=O)=O)CC1 36828121 ZWBUJBAQOGMWAM-NSHDSACASA-N 292.445 1.204 0 50 CDAA Cc1cc(B(O)OC(C)(C)C(C)(C)O)cc(Cl)n1 169980510 PCPMANNDXMMVMA-UHFFFAOYSA-N 271.553 1.297 0 50 CDAA COc1cccc(CN2C[C@@H](OC)C[C@H]2CO)c1F 311875559 XOUPBQPFMIZCKQ-RYUDHWBXSA-N 269.316 1.416 0 50 CDAA Cc1scc(C(=O)NC[C@H]2CNCCO2)c1C 335072440 ZAENKIJMECJYJQ-SNVBAGLBSA-N 254.355 1.083 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)c2cncc(F)c2)C1 395404308 TUBSOJATSSUPCT-GFCCVEGCSA-N 266.316 1.844 0 50 CDAA CN1CCC2(CCN(C[C@H]3CCCCO3)CC2)C1 823770091 MBVVPHCBWGOAHE-CQSZACIVSA-N 252.402 1.973 0 50 CDAA CC(=O)c1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1 2241241 ZTDFNPVAOPUESQ-LBPRGKRZSA-N 292.360 1.449 0 50 CDAA Cc1nc(C2CCOCC2)nc(C)c1C(=O)N1CCC1 2325784405 AQYQEORJRMYGLV-UHFFFAOYSA-N 275.352 1.833 0 50 CDAA CN[C@@H](CO)c1cccc(-c2cccc3c2CNC3=O)c1 2325899198 SRYREEWJSGFNTK-INIZCTEOSA-N 282.343 1.850 0 50 CDAA Cc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 125489 JKUQJDKTSHFABM-UHFFFAOYSA-N 290.344 1.895 0 50 CDAA CCn1c2ccccc2c2nnc(SCC(N)=O)nc21 176084 JWRFICDFCDABPR-UHFFFAOYSA-N 287.348 1.577 0 50 CDAA COC(=O)CSc1nnc(-c2ccncc2)o1 181249 JBWZEJRYFKNKMC-UHFFFAOYSA-N 251.267 1.397 0 50 CDAA COc1ccc([C@@H]2CC(=O)N(CCCN(C)C)C2)cc1 211535 LGKBMODMSHIDTB-CQSZACIVSA-N 276.380 1.963 0 50 CDAA Cc1c(C)c2cc(Cl)c(OCC(N)=O)cc2oc1=O 1164546 PKVALLXSOUUEGN-UHFFFAOYSA-N 281.695 1.927 0 50 CDAA Nc1nc(N)nc(-c2ccc3c(c2)-c2ccccc2C3=O)n1 1513442 CBDJMPXCSCZSSZ-UHFFFAOYSA-N 289.298 1.914 0 50 CDAA NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 2636090 LBCQZGPYQYSXMH-UHFFFAOYSA-N 294.307 1.725 0 50 CDAA CCC[C@@]1(C(=O)O)CN(c2nc(C)ns2)CC[C@@H]1O 2356153715 RWCQDUFXFGVXEA-JOYOIKCWSA-N 285.369 1.289 0 50 CDAA Cc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 2827403 HGKOUQNQRXBVBH-MRVPVSSYSA-N 273.383 1.234 0 50 CDAA O=C(NCCCN1CCCC1=O)c1cccs1 2872560 SVADYJBXEUMQJX-UHFFFAOYSA-N 252.339 1.490 0 50 CDAA Cc1ccc(C)c(OCCOCCN(C)CCO)c1C 2974990 KKGZUAOSVLQWOO-UHFFFAOYSA-N 281.396 1.931 0 50 CDAA COc1ccnc(-c2cc3c(cc2OC)OCO3)n1 2356166755 MHJYMTCBPRSFLR-UHFFFAOYSA-N 260.249 1.890 0 50 CDAA COc1cc(S(=O)(=O)N(C)C)c(OC)cc1Cl 6743501 ITCSLZOFCINMIM-UHFFFAOYSA-N 279.745 1.608 0 50 CDAA Cc1ccsc1CNCCCSc1nnnn1C 7541489 DRDKZWWFDNHWGR-UHFFFAOYSA-N 283.426 1.852 0 50 CDAA O=C(N[C@H]1CCc2[nH]ncc2C1)c1cccnc1S 114407431 DGTCYWDPPHGSLA-VIFPVBQESA-N 274.349 1.381 0 50 CDAA O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cccc(F)c1 100431398 NPACSOMNMYSVDQ-WYUUTHIRSA-N 261.252 1.493 0 50 CDAA CN1CCN(C(=O)c2ccc3cccc(F)c3n2)CC1=O 20540676 RVXLNYWNHNJEID-UHFFFAOYSA-N 287.294 1.288 0 50 CDAA O=c1c2c([nH]c3nc(Cc4ccccc4)nn13)CCC2 101190293 ZEYLRHKDNPWNAX-UHFFFAOYSA-N 266.304 1.497 0 50 CDAA CCCN1C[C@H](CN[C@H]2CCCSC2)CC1=O 421356229 WQZCLGSWYHXIIP-RYUDHWBXSA-N 256.415 1.730 0 50 CDAA CCc1c(C)nn(CC(=O)N[C@@H]2CC[C@@H](N)C2)c1C 67821269 QEWZSNDTTOGYFD-VXGBXAGGSA-N 264.373 1.058 0 50 CDAA COc1cc(N[C@@H](C)Cn2nc(C)cc2C)ncn1 65404016 GVFQZNIRKNDRGW-JTQLQIEISA-N 261.329 1.799 0 50 CDAA O=C([C@H]1CCCO1)N1CCN(Cc2ccc(F)cc2)CC1 20457787 UXQWYRIGZQLMPA-OAHLLOKOSA-N 292.354 1.649 0 50 CDAA FC(F)n1ccc(CN[C@@H]2CCc3nc[nH]c3C2)n1 353251470 QWBFOYSIJJFWMM-MRVPVSSYSA-N 267.283 1.648 0 50 CDAA CN(CCNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1CC1 252517857 SWCPTBHNEWPFRO-JHJVBQTASA-N 281.400 1.193 0 50 CDAA Cc1nc(C)c(CC(=O)N(C)Cc2ccc(C)o2)c(=O)[nH]1 31206646 NDEGVNLSWKNGSD-UHFFFAOYSA-N 289.335 1.489 0 50 CDAA O=C(C1CC1)N1CCC[C@H](CNc2ncccn2)C1 32540598 JOVYCFNODJSPCK-LLVKDONJSA-N 260.341 1.537 0 50 CDAA CCN1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1 72137467 RKKZXZJYVWJWMR-CYBMUJFWSA-N 292.379 1.627 0 50 CDAA CCc1nc(C)cc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)n1 253394467 IJBZBFRKKZCWSX-BFHYXJOUSA-N 291.395 1.714 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ncnn1C)C2 150939241 MKTSTWMURFHSKE-GFCCVEGCSA-N 272.308 1.374 0 50 CDAA COc1nc(C)cc(N2CC(C)(C)O[C@@]3(CCOC3)C2)n1 330044094 AQWMNJGDUMJFQI-HNNXBMFYSA-N 293.367 1.568 0 50 CDAA Cn1cnc(CNC(=O)N2CC=C(c3ccccc3)CC2)n1 130472173 BZQBVQYCWXMMRF-UHFFFAOYSA-N 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C[C@@H]1CN[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[C@H](N)C1 757209126 FYDKCBZQGYYGEM-VPJKUYQRSA-N 265.323 1.242 0 50 CDAA C=CC(=O)NC[C@@H](C)N1CCc2sccc2C1 1338390946 ZYLVKBLRKRSYFO-SNVBAGLBSA-N 250.367 1.797 0 50 CDAA Cn1cc(CS(=O)(=O)c2cccnc2)c(C(F)F)n1 1421451521 XULRPBTYHAXVFP-UHFFFAOYSA-N 287.291 1.727 0 50 CDAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1=CCCCO1 305131832 JZTLLDNREISNGH-GXTWGEPZSA-N 259.305 1.455 0 50 CDAA O=C(N[C@@]12CCC[C@@H]1NCC2)c1nncc2ccccc12 1580599373 XTIOHAGAXONZTO-XJKSGUPXSA-N 282.347 1.644 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2c[nH]c3ncccc23)C1 169931143 SDAFQLVOSOZZDA-VIFPVBQESA-N 273.292 1.500 0 50 CDAA CN(C)C[C@@H]1CCN(C(=O)Nc2ccncc2F)C1 187751535 YTORJNXFFYAYFX-JTQLQIEISA-N 266.320 1.636 0 50 CDAA Cn1nc(C(=O)O)cc1CN1CCOC[C@H](C2CCC2)C1 635312991 QWCVMXWAMZRWGA-GFCCVEGCSA-N 293.367 1.367 0 50 CDAA Cc1ccncc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 640871295 NQCFXMOPSUUJSB-CFVMTHIKSA-N 289.379 1.108 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)Nc1ccn(CCN(C)C)n1 190762691 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CN1C(=O)COC12CCN(Cc1ccc(F)cc1F)CC2 1615588413 GKLFICXCQAPIAY-UHFFFAOYSA-N 296.317 1.746 0 50 CDAA CCCCNC(=O)NCc1nc(CC(=O)OCC)cs1 1616038208 IXKVLLQHHHBNRI-UHFFFAOYSA-N 299.396 1.848 0 50 CDAA N[C@@H]1C[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C12CCC2 1775962593 UZUJDMMKXQHTJE-HTQZYQBOSA-N 289.257 1.693 0 50 CDAA CSCC[C@H](O)C(=O)N(C)Cc1ccncc1C 215942553 QPWPQPPZGGTHOO-LBPRGKRZSA-N 268.382 1.462 0 50 CDAA Cc1ccc2ncccc2c1CN[C@@H](C)CN(C)CCO 1506417041 KGCQPYYZVAGJST-AWEZNQCLSA-N 287.407 1.945 0 50 CDAA CC(C)c1nc(C(=O)N[C@@H]2CCOC[C@H]2O)cs1 223140443 DIFXTMNOHXNTPF-PSASIEDQSA-N 270.354 1.146 0 50 CDAA O[C@H]1CNCC[C@@H]1Nc1ncc(Cl)cc1C(F)(F)F 216826725 BNVAHCHWDAKQDE-IUCAKERBSA-N 295.692 1.889 0 50 CDAA CCN(C(=O)Cn1c(C(C)(C)C)noc1=O)C1CC1 1857532297 KIRXHOBDBMDHBS-UHFFFAOYSA-N 267.329 1.145 0 50 CDAA COc1ccnc(C(=O)NCc2cnn(C)c2C)c1 119748855 CLNXJVZCPNDWNP-UHFFFAOYSA-N 260.297 1.062 0 50 CDAA N[C@H]1CCN(C(=O)CCc2ccc(Br)cc2)C1 132571393 QAWBTJCMXSGOEL-LBPRGKRZSA-N 297.196 1.941 0 50 CDAA C=CC(=O)Nc1ccnc(OC)c1Br 1772718349 FFJFVXBUKKSRKC-UHFFFAOYSA-N 257.087 1.977 0 50 CDAA CCc1cc(NC(=O)Cc2cn3ccccc3n2)[nH]n1 134566991 COVRKYYHXCQDNB-UHFFFAOYSA-N 269.308 1.801 0 50 CDAA CC(C)NS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 12002120 GFYNGCXHHMPARJ-UHFFFAOYSA-N 296.392 1.890 0 50 CDAA O=c1c2ccccc2ncn1CCCn1ccnc1 12323866 BEXDIJBWLZLLKN-UHFFFAOYSA-N 254.293 1.683 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)[C@H]1CCCNC1 12648317 LCYIVBQGRXYEAH-UWVGGRQHSA-N 272.345 1.354 0 50 CDAA COc1ccccc1NC(=O)NCCN1CCOCC1 19926224 LZLAGWBOFWPBAB-UHFFFAOYSA-N 279.340 1.149 0 50 CDAA CSCC[C@@H](CO)NC(=O)Cc1c(C)noc1C 154948725 JUQWLBWFBVJHGB-JTQLQIEISA-N 272.370 1.064 0 50 CDAA CN(Cc1ccccc1)C(=O)N1C[C@@H]2C(C(=O)O)[C@H]2C1 1857532227 PQDFEXNJGJCXNT-RYUDHWBXSA-N 274.320 1.501 0 50 CDAA CC[C@@]12COC(=O)N1CCN(c1ccc(C(C)=O)cn1)C2 1857704076 CKTFFVQXJPPVSX-OAHLLOKOSA-N 289.335 1.705 0 50 CDAA Cc1nc(N[C@H]2C[C@H]3CO[C@H](C)CN3C2)c2cccnc2n1 1857733888 DIMJBUSQGURPBH-WXHSDQCUSA-N 299.378 1.607 0 50 CDAA O=C(Cn1ccc2ccccc21)N1CCN2CC[C@H]1C2 615562544 HIQRLSDDKDEULN-AWEZNQCLSA-N 269.348 1.558 0 50 CDAA O=C(NC1(C(=O)O)CC1)[C@@H]1COc2ccc(Cl)cc2C1 237949425 AMPOCTCXIOFTEH-VIFPVBQESA-N 295.722 1.625 0 50 CDAA C[C@@H]1OC(=O)[C@H]2[C@@H]1N1CCc3ccccc3[C@H]1C[C@H]2O 252694574 MPEJFJFZVUSBET-JZLHEVAFSA-N 273.332 1.281 0 50 CDAA biogenic CN1CC[C@@H](c2nc(Cn3cnc4ccccc43)no2)C1=O 683593248 SRSLBMTTXMWXQG-JTQLQIEISA-N 297.318 1.413 0 50 CDAA CC(C)N(C)C(=O)N1CCN(c2ncncc2Cl)CC1 585081002 QMSBDTPIQNUMGC-UHFFFAOYSA-N 297.790 1.712 0 50 CDAA CN1CCCC[C@H](C(=O)NCc2nccs2)C1=O 585122391 ZGPLPSJLYZRXKW-SECBINFHSA-N 267.354 1.018 0 50 CDAA CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)O)cc1 263058487 XAIWPYFQBOMHSW-SNVBAGLBSA-N 292.335 1.874 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)CCCc2ccccn2)C1 827986304 XIJLYNUFBMYRDN-OAHLLOKOSA-N 276.336 1.728 0 50 CDAA CO[C@@]1(CO)CCCN(Cc2coc(C(C)(C)C)n2)C1 930963566 JZMLHIZHFFXNEZ-HNNXBMFYSA-N 282.384 1.945 0 50 CDAA CC(C)c1noc(NC[C@H](C(=O)O)C2CCOCC2)n1 863734365 DTRSSSKSOFIBRP-JTQLQIEISA-N 283.328 1.732 0 50 CDAA C[C@@H](C1CC1)N(C)S(=O)(=O)NC(C)(C)c1ncc[nH]1 874433526 LCIJNMKFMSULKT-VIFPVBQESA-N 286.401 1.210 0 50 CDAA CCc1cc(NCc2cn(C(C)C)c(=O)nc2O)ncn1 952881619 BLSOZNQUDIZXBF-UHFFFAOYSA-N 289.339 1.494 0 50 CDAA C[C@H]1CN(c2ccccc2)CCN1C(=O)Cn1nccc1N 952992457 FEIQEDPFDCTERD-ZDUSSCGKSA-N 299.378 1.203 0 50 CDAA CCSC1(CNC(=O)c2c[nH]cc(F)c2=O)CC1 1875268066 ITUHCEWQLWVZDQ-UHFFFAOYSA-N 270.329 1.530 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)CC1CCN(C)CC1 1875263048 CVJFMLFXRXDLFM-NSHDSACASA-N 292.427 1.946 0 50 CDAA CC(C)c1cc(CNC[C@@]2(O)CCSC2)no1 1875307151 UWHUFLSZBHSFAJ-LBPRGKRZSA-N 256.371 1.756 0 50 CDAA C[C@H]1C[C@@H](C)[C@H](CN)CN1C(=O)c1cc2cn[nH]c2cn1 1875317840 KFFZUDOIHGXQPM-JFGNBEQYSA-N 287.367 1.403 0 50 CDAA N[C@]1(c2ccccc2)C[C@@H](N[C@H]2CNCC3(CC3)C2)C1 1875404349 GFBQUMCBSUMXJA-BFYDXBDKSA-N 271.408 1.735 0 50 CDAA Cn1ccnc1CN1C[C@H](C(=O)O)Cc2cc(F)ccc21 1775990576 NPJFGYUKPWIAGZ-LLVKDONJSA-N 289.310 1.823 0 50 CDAA Cc1nccn1C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 1775988065 WJSHILKBKLCVQB-LBPRGKRZSA-N 273.340 1.148 0 50 CDAA CN(CCc1ccncc1)C(=O)c1ncccc1O 37760795 NBMREBUURMMFRD-UHFFFAOYSA-N 257.293 1.497 0 50 CDAA NC(=O)[C@]1(O)CCCN(c2ccc3ccccc3n2)C1 284515215 FBZNDTSOWALZCW-HNNXBMFYSA-N 271.320 1.051 0 50 CDAA O=C([C@H]1CC12CCOCC2)N(C[C@@H]1CCCN1)C1CC1 328642966 RFZSCIZYMBAYQF-GXTWGEPZSA-N 278.396 1.546 0 50 CDAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cccnc1 890406 AHXRLADLJSXWQH-HNNXBMFYSA-N 268.272 1.494 0 50 CDAA C[C@@H](C(=O)NCc1cncs1)N1CCSCC1 2325734419 LHBYIZBWJMTVEY-VIFPVBQESA-N 271.411 1.197 0 50 CDAA C[C@H](CCO)C(=O)N1Cc2ccccc2[C@H](CO)C1 2325794410 AKSZQOLUAZZZOQ-YPMHNXCESA-N 263.337 1.123 0 50 CDAA CCOC(=O)c1nn(-c2ccc3c(c2)OCCO3)cc1O 87117 IBFLUSMRXQCEJN-UHFFFAOYSA-N 290.275 1.526 0 50 CDAA CC(C)(CO)NC(=O)COc1ccc(Cl)cc1 276302 NSGPOWUHIOFGMT-UHFFFAOYSA-N 257.717 1.606 0 50 CDAA CCn1nnc(NC(=O)COc2cc(C)cc(C)c2)n1 558311 LDYSZVSEOSKCKA-UHFFFAOYSA-N 275.312 1.327 0 50 CDAA CCOC(=O)N1CCN(C(=S)NCc2ccco2)CC1 612913 JGXKLDMODVLYJR-UHFFFAOYSA-N 297.380 1.428 0 50 CDAA CCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1 802728 GHUKHYSMHXVTEF-UHFFFAOYSA-N 266.322 1.827 0 50 CDAA CCC[C@@]1(C(=O)O)CN(Cc2csc(C)n2)CC[C@@H]1O 2356143860 YRNNLTTZIIBHFN-GXTWGEPZSA-N 298.408 1.889 0 50 CDAA Cn1cc(Cl)c(C(=O)Nc2ccc3nn(C)nc3c2)n1 2356152437 IVZZZXOCAKXYRX-UHFFFAOYSA-N 290.714 1.608 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2nc(C)ns2)C[C@@H]1O 2356157605 MPUMRKDCIHHGCL-CABZTGNLSA-N 285.369 1.289 0 50 CDAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)NCc1cccnc1 6700332 QKKBKGWFCAEHLV-PQAZSJQKSA-N 288.347 1.835 0 50 CDAA CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)OCC)n1 8671817 GKEXMQMRLYBRKG-UHFFFAOYSA-N 299.352 1.087 0 50 CDAA CCCCNC(=O)c1cccc(NS(C)(=O)=O)c1 10315169 OQDCOWFRCMIPLY-UHFFFAOYSA-N 270.354 1.588 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)cc1 100027322 PRLATGWSLBXBHB-LBPRGKRZSA-N 276.292 1.583 0 50 CDAA biogenic,in-vitro Cc1cnn(CCC(=O)N2CCC[C@@](C)(C(=O)O)C2)c1 414448336 MXNFJYKGIQCDRL-CQSZACIVSA-N 279.340 1.295 0 50 CDAA O=S1(=O)CC[C@H](Nc2nc3cc(F)ccc3o2)C1 114446339 YYMRBKUELZMRKV-QMMMGPOBSA-N 270.285 1.566 0 50 CDAA C[C@H]1CCC[C@H](C)N1CCCNC(=O)CN1CCCC1=O 27748953 SKQJXFIFVWTIIF-KBPBESRZSA-N 295.427 1.378 0 50 CDAA CCc1n[nH]c(SCC(=O)N2C[C@H]3CC[C@H]2C3)n1 102379915 KDABOZSBWAUSJJ-IUCAKERBSA-N 266.370 1.470 0 50 CDAA COc1ccc2c(c1)NC(=S)NC1=C2COC1=O 101684376 PKKXZCHZKVGVLY-UHFFFAOYSA-N 262.290 1.263 0 50 CDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@@H]3C[C@@H]3[C@@H]2C=C1 104280957 COKYLTMJYIURBT-RZFFKMDDSA-N 293.326 1.659 0 50 CDAA CC(C)N(C)CCNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 246934203 NIAVPQOZAALCDC-YNEHKIRRSA-N 283.416 1.439 0 50 CDAA C[C@H]1CNC(=O)CCN1c1ccc(C(F)(F)F)cn1 20234672 YAPRTRMUSHILFZ-QMMMGPOBSA-N 273.258 1.815 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 247443243 XMAVECNMTCSHCA-IMJJTQAJSA-N 289.423 1.875 0 50 CDAA CCc1ccc(N([C@H](C)C(=O)N(C)C)S(C)(=O)=O)cc1 65362779 QGXPJJHKIKJLEF-LLVKDONJSA-N 298.408 1.492 0 50 CDAA CN(C)S(=O)(=O)CCCN1CCCc2ccccc2C1 346166041 AYPHYOPIYGDHFP-UHFFFAOYSA-N 296.436 1.716 0 50 CDAA O=C1COCC2(CCN(Cc3ccccc3)CC2)N1 117687152 QIJBFLAOMNGEHG-UHFFFAOYSA-N 260.337 1.168 0 50 CDAA Cc1cc(F)cc(C(=O)NC[C@H]2CCCNC2)c1 135220178 JLCACBWAXDHVKQ-NSHDSACASA-N 250.317 1.864 0 50 CDAA CCCc1nc(C)cc(N2C[C@H](O)[C@@H](N3CCCC3)C2)n1 65410268 CEFZUFWDTOIMAW-KBPBESRZSA-N 290.411 1.383 0 50 CDAA O=C(O)CN(CC(=O)NCc1cccnc1)c1ccccc1 34926511 SRJLABDPSAIGLH-UHFFFAOYSA-N 299.330 1.289 0 50 CDAA Cc1ccc(C)c(CC(=O)N2CCOC[C@@H]2CC(=O)O)c1 72174613 SIVCZKWROHSVSY-AWEZNQCLSA-N 291.347 1.548 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2-c2ncccc2C)C1 601044861 RZQDIPFDJSNTEI-SNVBAGLBSA-N 272.308 1.384 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3ccoc3)n2CC1 601043501 CAXARKDRPVVSCY-VIFPVBQESA-N 261.281 1.664 0 50 CDAA COC(=O)[C@@](C)(CNC(=O)N1CCC1)c1ccccc1F 253416596 XFXODCDXNKHYSE-HNNXBMFYSA-N 294.326 1.672 0 50 CDAA CN(CCO)c1cc(-c2ccccc2F)nc2ccnn12 72439094 BPOOMEWQDUVNEV-UHFFFAOYSA-N 286.310 1.964 0 50 CDAA N[C@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 72171138 LYZXTVMAUVKFRK-LBPRGKRZSA-N 286.379 1.835 0 50 CDAA O=C(NCc1cccc(Cl)c1)c1cc[nH]c(=O)c1 152707043 SOKSYKSKBKLKKM-UHFFFAOYSA-N 262.696 1.958 0 50 CDAA CO[C@@H]1CCN(CC(=O)NC2CCCCCC2)C1 361372337 MTLZSVIQRDFPDM-CYBMUJFWSA-N 254.374 1.546 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3n2)C1 431772513 LPVUODYKMMDEDM-SECBINFHSA-N 259.265 1.110 0 50 CDAA COCC1(C(=O)N2CC[C@@]3(CCCOC3)C2)CCC1 375265422 AHWXJTOOXPTCIF-AWEZNQCLSA-N 267.369 1.832 0 50 CDAA N=c1ccnc(CN2CCC[C@@]2(CO)Cc2ccccc2)[nH]1 365072061 PNXUCRLUCGPICI-KRWDZBQOSA-N 298.390 1.459 0 50 CDAA COc1cccc([C@@H]2CN(C(=O)c3cncnc3)CCO2)c1 331533379 LDMYYVHZTFIVLH-HNNXBMFYSA-N 299.330 1.699 0 50 CDAA C[C@@H]1c2cccn2CCN1C(=O)NCCn1cccn1 172035023 YWACRBSKJAGMIF-GFCCVEGCSA-N 273.340 1.471 0 50 CDAA COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 368722921 ACGDPGSERHVTPG-BAYHKCFCSA-N 295.379 1.338 0 50 CDAA Cc1cn2cc(CNC(=O)Cc3nonc3C)nc2s1 216422042 VECBYLWBUMAJQO-UHFFFAOYSA-N 291.336 1.255 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccncc1F 218983407 AKLKOXLULOHVKT-YGNMPJRFSA-N 280.299 1.000 0 50 CDAA COc1cccc(OCc2nc3c(c(=O)[nH]2)CCNC3)c1 77522063 OSKAMOMTLDHEDQ-UHFFFAOYSA-N 287.319 1.003 0 50 CDAA CCC(CC)NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239025324 BKIIOWLWPIEGFE-GAIPPQHRSA-N 251.326 1.814 0 50 CDAA O=C(C1=CCCCO1)N1CC[C@H](OCc2ccncc2)C1 371819942 BEIDUSGXWKUEQF-AWEZNQCLSA-N 288.347 1.893 0 50 CDAA Cc1cc(N2CCN(c3ccccc3)C(=O)[C@@H]2C)nc(N)n1 32519411 JHVYPKQLDJRPNG-LBPRGKRZSA-N 297.362 1.609 0 50 CDAA CS(=O)(=O)Cc1cccc(NC(=O)C2(C(=O)O)CC2)c1 262194374 HFIFODSDGBSNEQ-UHFFFAOYSA-N 297.332 1.035 0 50 CDAA CN1C(=O)[C@@]2(CCCN(CCCO)C2)c2ccccc21 72154949 NXCRLJYQZFPWDS-MRXNPFEDSA-N 274.364 1.379 0 50 CDAA CC(C)(C)c1nc(N2CCC[C@@H](N3CCNC3=O)C2)no1 373380595 ZGPLIOHTQYJUTN-SNVBAGLBSA-N 293.371 1.361 0 50 CDAA CNCC(=O)N1C[C@@H](c2ccccc2C)OC[C@@H]1C 237207710 QZTVDKNBWDFGAZ-JSGCOSHPSA-N 262.353 1.503 0 50 CDAA CS(=O)(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 374226316 AANUNGJINYDIFT-LBPRGKRZSA-N 294.376 1.371 0 50 CDAA COc1cc(F)cc(CNC(=O)C2CC(C)(O)C2)c1 450361455 OBKLDVBNVNYZAY-UHFFFAOYSA-N 267.300 1.612 0 50 CDAA CCOC(=O)c1cnn(-c2ncccn2)c1Br 72190375 WHTZCXXAXMJGFF-UHFFFAOYSA-N 297.112 1.602 0 50 CDAA COc1cnc(N2CC(Oc3cccc(OC)c3)C2)nc1 77319195 NLLPPNUSWBGGSL-UHFFFAOYSA-N 287.319 1.761 0 50 CDAA Cc1nccn1CCN(C)[C@@H]1CCOC2(CCOCC2)C1 77487793 NXTPLLVAQSMEJI-OAHLLOKOSA-N 293.411 1.852 0 50 CDAA Cc1cnn(-c2ccccc2)c1NS(C)(=O)=O 130131755 RTNXHWALNIPBSU-UHFFFAOYSA-N 251.311 1.552 0 50 CDAA O=C1[C@@H]2COCCN2C(=O)N1CCc1cc(F)ccc1F 336147699 HOJFIXMCSDVJMT-LBPRGKRZSA-N 296.273 1.170 0 50 CDAA C[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1C(=O)O 263253404 TVDOJHKQSXOEPP-MWLCHTKSSA-N 290.319 1.199 0 50 CDAA CCOC1CC2(CCN(c3ccc(C(N)=O)cn3)C2)C1 286425500 QEENTIWQFWCZOQ-UHFFFAOYSA-N 275.352 1.576 0 50 CDAA NC(=O)NCCC(=O)N(CC1CCC1)c1ccccc1 175774724 JYCYZPIFMBFJSK-UHFFFAOYSA-N 275.352 1.878 0 50 CDAA Cc1cnccc1N1CCN(C(=O)c2ccn[nH]2)CC1 221279734 DHEXSSFXODWXMA-UHFFFAOYSA-N 271.324 1.076 0 50 CDAA CC(=O)N[C@H](c1nc(-c2nccn2C)no1)C1CCCC1 289209987 YJDUQMMDJMZXSE-NSHDSACASA-N 289.339 1.838 0 50 CDAA COCCOC1CCN(C(=O)[C@@H](C)n2ccnc2C)CC1 426716102 ORHORHSYXBCCCB-GFCCVEGCSA-N 295.383 1.407 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1CC[C@@H](C(=O)O)C1 178266065 NWHZZPODSHQTNY-SNVBAGLBSA-N 277.324 1.449 0 50 CDAA Cn1ccccc1=N/N=c1/sc2ccccc2n1C 334157024 KCAADWMPXAKJIN-GEHMZHQGSA-N 270.361 1.995 0 50 CDAA CNC(=O)Cn1cc(-c2cnn(CCC(C)C)c2)cn1 96163816 FIOUVHZIXHFZPC-UHFFFAOYSA-N 275.356 1.539 0 50 CDAA Cc1ccn2c(C(=O)N3CCCCCC3)nnc2n1 426473576 LTYRUHHIPBDHMF-UHFFFAOYSA-N 259.313 1.449 0 50 CDAA C[C@H](O)CSc1nnc(CCN)n1-c1ccccc1F 426369126 FXPPDJYGKVRVJV-VIFPVBQESA-N 296.371 1.381 0 50 CDAA CCc1cc(CNC(=O)c2cc(=O)cc(C)[nH]2)on1 426399403 LODLZDJBCJMNRN-UHFFFAOYSA-N 261.281 1.164 0 50 CDAA COCC[C@]1(CO)CCCN(Cc2ncccn2)C1 91689903 LNUNVAYOQYQJES-CQSZACIVSA-N 265.357 1.088 0 50 CDAA CCc1csc(Cn2cc(-c3cncnc3)nn2)n1 95356109 UHLASRLZQFDOCI-UHFFFAOYSA-N 272.337 1.802 0 50 CDAA COc1ccccc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239203193 RXUSSKXDZAVMFJ-FVCCEPFGSA-N 289.287 1.288 0 50 CDAA COc1cc(-c2cc(C)n[nH]c2=O)cc(OC)c1OC 96132317 PEXDCZOBLQQEPX-UHFFFAOYSA-N 276.292 1.771 0 50 CDAA Cc1c[nH]c(C(=O)N(C)C[C@@H]2CCN(CC(C)C)C2)n1 244873355 WOTIQBKAMDGEJF-ZDUSSCGKSA-N 278.400 1.768 0 50 CDAA COCCn1cncc1CN1CCOc2ccccc2C1 244858608 VOGPXCMYPNIAAX-UHFFFAOYSA-N 287.363 1.924 0 50 CDAA COCCC(=O)N[C@@H](c1ccc(OC)nc1)[C@H]1C[C@@H](O)C1 244884045 YEDUOMQCZDDGTI-ZOWXZIJZSA-N 294.351 1.055 0 50 CDAA COC[C@]1(C)CCN(c2cc(C)nc3ncnn23)C1 294898512 GXDPIXVIPLUFPD-CYBMUJFWSA-N 261.329 1.296 0 50 CDAA CCC[C@]12CNC[C@](CCC)(CN(CC)C1)[C@H]2O 250221051 WKQPIKSIYRSCAO-QKDCVEJESA-N 254.418 1.859 0 50 CDAA C[C@H]1CCCCN1C1CN(C(=O)NCCc2ncc[nH]2)C1 534659530 HOLHRQPAQGHXLL-LBPRGKRZSA-N 291.399 1.220 0 50 CDAA CCOC(=O)c1cnc2cc(Br)nn2c1 260490789 VEBRVSCYYJMKSS-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)NCc1cn2ccsc2n1 1940193659 ADHYNDNRTYQOGP-SECBINFHSA-N 298.437 1.481 0 50 CDAA CCn1nc(C)cc1C(=O)N1CCC[C@@]12CCCNC2=O 1940197931 CFFRJFZLISQCRN-OAHLLOKOSA-N 290.367 1.096 0 50 CDAA O=C(O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1 299782360 JBMULZUXVBPWAA-AWEZNQCLSA-N 265.284 1.882 0 50 CDAA Cc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CCOC3)cc2)n1 299675924 KBLNOZWLXUTUBK-LLVKDONJSA-N 272.308 1.755 0 50 CDAA Cc1cc2c(cc1CN1CCN3C(=O)OC[C@@H]3C1)OCO2 828322952 UYFZHHRWQLWLNF-LBPRGKRZSA-N 290.319 1.360 0 50 CDAA Cc1c(Cl)c(C(=O)N[C@@H](C)c2nncn2C)nn1C 828219086 VIPXXBSVFJUUNG-LURJTMIESA-N 282.735 1.001 0 50 CDAA COc1cc(C(=O)N[C@@H](C)c2nncn2C(C)C)ccn1 824851800 IFTZOGTXUXWBMW-JTQLQIEISA-N 289.339 1.754 0 50 CDAA Oc1nc(N2CCNCC2)nc2sc3c(c12)CCCC3 585152319 OTTVSWPPMDDNRS-UHFFFAOYSA-N 290.392 1.685 0 50 CDAA CC(C)n1cnnc1CCN[C@H](C)Cn1ccnc1 584896296 NOTYGBYORXJJII-GFCCVEGCSA-N 262.361 1.276 0 50 CDAA Cc1csc([C@@H](C)CNC(=O)c2c[nH]c(=O)cn2)n1 584890107 NHUJEMVBPICKRV-ZETCQYMHSA-N 278.337 1.068 0 50 CDAA CC(C)(CN1CCOCC1)NC(=O)C[C@H]1CCCOC1 584886845 VGKHEETYIRVVRO-CYBMUJFWSA-N 284.400 1.030 0 50 CDAA CC(C)O[C@H]1CN(C(=O)c2ccc(Cl)cn2)C[C@@H]1O 670460099 FRCURYAJYCDIMB-RYUDHWBXSA-N 284.743 1.345 0 50 CDAA C[C@H]1CN(C2CC2)CCN1C(=O)c1ccc2c(c1)OCO2 1420977995 VBARZPXDPOCIKT-NSHDSACASA-N 288.347 1.724 0 50 CDAA COc1cc(CN(C)c2ccnc(N(C)C)n2)sn1 1548524474 MLSKHIQRBRUULZ-UHFFFAOYSA-N 279.369 1.644 0 50 CDAA CCCN1CCC[C@H](NC(=O)/C=C/c2cnc(N)nc2)C1 952965009 PQPWBWQFBVCREG-GFUIURDCSA-N 289.383 1.063 0 50 CDAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCN)(C3)C2 952984374 UHMGWMFIPZGTED-FAAHXZRKSA-N 266.385 1.173 0 50 CDAA COC[C@H]1CN(c2noc(C(C)(C)C)n2)CC(C)(C)O1 408032268 UKIWNCVAZWNMRJ-SNVBAGLBSA-N 283.372 1.997 0 50 CDAA O=C1[C@H](N2CCn3cncc3C2)CCN1c1ccccc1 408518916 KBGLQUHKFDEGJH-OAHLLOKOSA-N 282.347 1.504 0 50 CDAA CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1F 268913754 OSJNRSWGPDCAAF-NXEZZACHSA-N 281.283 1.561 0 50 CDAA CN1CC[C@@H]2[C@H](CCCN2c2ncnc3[nH]ccc23)C1 269093353 LZLSWAKKKGXSBQ-DGCLKSJQSA-N 271.368 1.878 0 50 CDAA CS(=O)(=O)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 274024192 FQFXWPOAZBHHAG-LLVKDONJSA-N 291.376 1.643 0 50 CDAA COc1ccccc1[C@H]1CCCN1c1nc(C)nc(=N)[nH]1 631096473 FSSSJIJCCHYNQE-GFCCVEGCSA-N 285.351 1.943 0 50 CDAA CN(CC1(O)CCCC1)C(=O)c1c[nH]nc1[C@H]1CCOC1 275858768 JJAPHPKUPVCRMH-NSHDSACASA-N 293.367 1.291 0 50 CDAA COc1ccc(NS(=O)(=O)c2ccc(F)cc2C)nn1 170598273 GWRJBUVKXYXBRR-UHFFFAOYSA-N 297.311 1.734 0 50 CDAA O=C1C[C@@]2(CCN(C(=O)Cc3noc4ccccc34)C2)CN1 278943482 LJUIESDRYZNTTM-INIZCTEOSA-N 299.330 1.109 0 50 CDAA O=C(N[C@@H]1CCCn2nccc21)[C@@H]1C[C@H]1C1CCNCC1 634309398 XURTWBPHQXUWLI-BFHYXJOUSA-N 288.395 1.470 0 50 CDAA Cc1cocc1C(=O)N1CCC[C@H](c2n[nH]c(=N)o2)C1 636195777 KKNCGULTHGNISA-VIFPVBQESA-N 276.296 1.403 0 50 CDAA C[C@H]1OCC[C@H]1S(=O)(=O)NCCc1ccccc1F 188263642 HJVPEYMJSFAMMR-ZWNOBZJWSA-N 287.356 1.465 0 50 CDAA C[C@]1(C(=O)N[C@H](CO)c2ccsc2)C[C@H]2CC[C@H]1O2 673081950 KNKHYTYVEYIXGD-BYNQJWBRSA-N 281.377 1.855 0 50 CDAA COCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(C)C 585087664 DENKDTSGJNIWLC-ZDUSSCGKSA-N 295.335 1.018 0 50 CDAA O=CN1CCCN(C[C@H]2CCc3ccccc3C2)CC1 585087123 PDXDESOLHSMQNK-HNNXBMFYSA-N 272.392 1.956 0 50 CDAA Cn1cccc1C(=O)Cn1cnnc1[C@@H](O)c1ccccc1 195177819 QARXRXKERPLEEH-HNNXBMFYSA-N 296.330 1.581 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1cc[nH]n1 652757675 OWOQXPICELRZBJ-UONOGXRCSA-N 255.321 1.933 0 50 CDAA CO[C@@H]1CCCN(C(=O)c2c[nH]nc2[C@H]2CCNC2)CC1 662834722 JOUPBIWCBAXEFV-NWDGAFQWSA-N 292.383 1.128 0 50 CDAA CN(C)[C@@H]1CCCCN(CCCn2ccnc2)C1 1506397929 ZCIXHXBETBGZMY-CQSZACIVSA-N 250.390 1.689 0 50 CDAA CNC(=O)c1ccc(NC(=O)c2cc[nH]c2)c(C)c1 1318641985 YAUMLSLJIHQWLK-UHFFFAOYSA-N 257.293 1.935 0 50 CDAA CCOC(=O)N1CCC(NC2CCC(O)CC2)CC1 221027 FVGPKNMSYMETPL-UHFFFAOYSA-N 270.373 1.500 0 50 CDAA Cc1cnccc1CN(C)C(=O)c1ccc(N)nc1 214990372 CPULVJSDDOWINU-UHFFFAOYSA-N 256.309 1.639 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCCCn2ccnc2)n1 1506416664 KLMBRDKOHTWFQS-ZDUSSCGKSA-N 261.373 1.765 0 50 CDAA Cc1nn(C)c2ncc(CNC[C@H]3CCCN3C)cc12 221142432 WMOVIEJCNSGBKX-CYBMUJFWSA-N 273.384 1.461 0 50 CDAA Cc1nc(CN(C)CCN(C)C2CCCC2)no1 1529160066 XPOQMBGAVWBNAH-UHFFFAOYSA-N 252.362 1.684 0 50 CDAA CSCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529155649 XRXMEKRXIUXFNM-VXGBXAGGSA-N 266.366 1.118 0 50 CDAA Cc1noc([C@@H]2CN(CC=CC3CC3)CCN2C)n1 1857528137 IGKSRPQMEPBBRX-ZDUSSCGKSA-N 262.357 1.633 0 50 CDAA CC(=O)NC1CCN(c2nc(C)ncc2Cl)CC1 1704312036 JTLZGMYLTUZESH-UHFFFAOYSA-N 268.748 1.543 0 50 CDAA CCOC[C@H]1CCN(C(=O)[C@H](CC)C(=O)OCC)C1 408521576 ZDQBRSXVUULDAJ-RYUDHWBXSA-N 271.357 1.461 0 50 CDAA CC(C)(C)C(=O)NC[C@H](C[C@H]1CCOC1)C(=O)O 725242452 GNYAHAZKWHRKND-ZJUUUORDSA-N 257.330 1.276 0 50 CDAA O=c1[nH]nc(SCC2CC2)n1C[C@@H]1CCCO1 122806433 WUSZOURFVRZILO-VIFPVBQESA-N 255.343 1.253 0 50 CDAA Cc1ccc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)o1 643755399 SZPGQBHCPAAUQH-OAHLLOKOSA-N 280.368 1.393 0 50 CDAA O=C(c1ccncc1Cl)N1C[C@@H](F)C[C@H]1CO 335439428 CVXWHJORCIJJNW-YUMQZZPRSA-N 258.680 1.280 0 50 CDAA Fc1ccc(N2CCN(CC[C@@H]3COCCO3)CC2)cc1 1775981644 HNKUKQBTRPJYTM-MRXNPFEDSA-N 294.370 1.753 0 50 CDAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 6731157 YUBVMBHFNZFPDE-QQFIATSDSA-N 251.326 1.746 0 50 CDAA O=C(NCc1cn2ccsc2n1)c1ccc2c[nH]nc2n1 1775984045 YDWVIOFLGDVCKD-UHFFFAOYSA-N 298.331 1.597 0 50 CDAA NCc1nnc(N2CCC(Oc3cccc(F)c3)CC2)o1 1772705816 OMMCWMPHGPMPGE-UHFFFAOYSA-N 292.314 1.715 0 50 CDAA Nn1c([C@@H](O)c2ccccc2)nnc1[C@@H](O)c1ccccc1 5487761 OVMFKQXQRXUOKW-KBPBESRZSA-N 296.330 1.155 0 50 CDAA CSCC(=O)N[C@H]1CCCN(Cc2ccccn2)C1 12304297 SEFIBHJRPZEPRO-ZDUSSCGKSA-N 279.409 1.525 0 50 CDAA COCc1ccc(CN2CCN(C(C)C)[C@@H](CCO)C2)o1 19758618 BUPQBTWHRBCIHK-AWEZNQCLSA-N 296.411 1.703 0 50 CDAA CN(CC[C@H](O)c1ccccc1)c1nc(C(=O)O)nn1C 1857670554 UPOAIHCNUMNRMR-NSHDSACASA-N 290.323 1.073 0 50 CDAA COCCn1ccnc1-c1nccn1-c1c(C)n[nH]c1C 1857694124 BOISXAPPYUTBJK-UHFFFAOYSA-N 286.339 1.722 0 50 CDAA Cc1nc([C@H]2CCn3nccc3C2)n(-c2ccnn2C)n1 1857735829 UNLGCRCYCZAMMA-NSHDSACASA-N 283.339 1.236 0 50 CDAA Cn1nccc1NC(=O)[C@H](O)c1ccc(Cl)cc1F 813432337 WAKIVGAVSQYPAI-LLVKDONJSA-N 283.690 1.885 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)c1cc(C(=O)O)nn1-c1ccccc1 237351332 JNPQZHBCEFYJNJ-KOLCDFICSA-N 285.303 1.709 0 50 CDAA O=C(NCc1ccccn1)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)O 222441473 PHPVKNRANYSRPG-AUZPSNTRSA-N 286.331 1.611 0 50 CDAA O=C(O)COC1CCN(C(=O)OCc2ccccc2)CC1 2577430 WMFVDLNUEFUSES-UHFFFAOYSA-N 293.319 1.889 0 50 CDAA in-vitro CNC(=O)[C@@H]1CCCN(c2ncnc3ccsc23)C1 225559366 HXSFNKVJJPQQPQ-SECBINFHSA-N 276.365 1.654 0 50 CDAA C[C@H]1CCN(C(=O)COCc2ccnn2C)[C@H](C(=N)O)C1 330502682 CPUWDXHRAKFNMX-JQWIXIFHSA-N 294.355 1.099 0 50 CDAA C[C@@H]1C[C@@H](NC(=O)Cc2cccc3c2CCNC3)[C@@H](C)O1 638943362 JEAPTNOYAQIHTG-XHBSWPGZSA-N 288.391 1.557 0 50 CDAA Cc1cc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)ncn1 538470273 MXEMLYDRLWWUPE-ZDUSSCGKSA-N 299.330 1.458 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2conc2C)C1 643772557 HOMLASNCDBERMQ-NEPJUHHUSA-N 262.313 1.668 0 50 CDAA COc1ccc(CNC(=O)[C@H]2CC(=O)N(C)C2)cc1Cl 128803664 UVCKYZZGIYOJNK-JTQLQIEISA-N 296.754 1.443 0 50 CDAA CCc1ccccc1S(=O)(=O)NCc1nccc(C)n1 583651571 OKHMZCOXWAGXMY-UHFFFAOYSA-N 291.376 1.826 0 50 CDAA COCCN1CCC[C@@H](Nc2nccc(C)c2[N+](=O)[O-])C1 399528248 SXVBARCGGMGGFK-GFCCVEGCSA-N 294.355 1.821 0 50 CDAA Cn1cncc1Cc1noc([C@]23C[C@H]2COC32CCC2)n1 904033455 KOJFMLKQRGCIQR-BONVTDFDSA-N 286.335 1.605 0 50 CDAA CN1C(=O)CC[C@@H]1C(=O)Nc1nccnc1-c1ccccc1 905559173 AFANAPQLPIUAOP-GFCCVEGCSA-N 296.330 1.703 0 50 CDAA C=CC(=O)N(C)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 820432662 NYITUOCBWHCOSF-SNVBAGLBSA-N 285.752 1.813 0 50 CDAA CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)O)N1 1857780309 GVGGVTYMQQIHAX-RKDXNWHRSA-N 258.318 1.106 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)/C=C/CN2CCOCC2)C1 864410083 OBSUGXZANIELSL-ISANGGDFSA-N 266.385 1.379 0 50 CDAA O=C(/C=C/CCc1ccccc1)N[C@@H]1CNC(=O)C1 867250182 ZPZMUHWXKWOFSC-NEXMIYJRSA-N 258.321 1.180 0 50 CDAA CNc1ccc(C(=O)NCCCc2ccccn2)cn1 19144393 MNZPHCCUPCJKLP-UHFFFAOYSA-N 270.336 1.881 0 50 CDAA CC1(C)CN(C(=O)Cn2cnnc2O)[C@@H]1c1ccccc1 952886798 ATVDCMKRTJRNKN-CYBMUJFWSA-N 286.335 1.593 0 50 CDAA CC(C)n1ncc(C(=O)N2CCNC[C@H]2C)c1Cl 876515165 MBMNSEBEPKSVBU-SECBINFHSA-N 270.764 1.551 0 50 CDAA CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 1875252375 YGCJTVYNOWMYCV-JTQLQIEISA-N 283.353 1.079 0 50 CDAA O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)[C@H]1CC(C2CC2)=NO1 1875295034 BYXSMMJDBTXGCJ-LCGIIJARSA-N 282.343 1.996 0 50 CDAA CCC(=O)N[C@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875274690 RYEHQSIQGDMGIY-HTRCEHHLSA-N 261.247 1.897 0 50 CDAA C[S@](=O)c1ccc(C(=O)N2CC3(CC(O)C3)C2)cc1 1875274494 DDBYIFWZIDUSBF-IBGZPJMESA-N 279.361 1.021 0 50 CDAA Cc1ccc([C@]2(C)NC(=O)N(CCC3COC3)C2=O)o1 1875273876 ADROKQZCSHJRCD-AWEZNQCLSA-N 278.308 1.392 0 50 CDAA CC(C)(CC(F)F)C(=O)N=c1nc[nH]n1-c1ncccn1 1875302844 JINYXVSOKYNBBQ-UHFFFAOYSA-N 296.281 1.099 0 50 CDAA N[C@]1(c2ccccc2)C[C@@H](N[C@@H]2CNCC3(CC3)C2)C1 1875404350 GFBQUMCBSUMXJA-ZOBUZTSGSA-N 271.408 1.735 0 50 CDAA CCOc1cccnc1-c1nnc([C@]2(OC)CCOC2)o1 886082313 WNFMJPQVTKZEJV-AWEZNQCLSA-N 291.307 1.792 0 50 CDAA CCCN(C)C(=O)NC1CN(c2nc3ccccc3[nH]2)C1 1775990565 NCMYICFKLMVWMJ-UHFFFAOYSA-N 287.367 1.803 0 50 CDAA COc1ccc(-c2cn(C[C@@H](C)O)nn2)cc1OC 899707024 TTWZPZNHJXHXDP-SECBINFHSA-N 263.297 1.343 0 50 CDAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(O)cc1 263523703 SHDMAEMGYROCMU-CMPLNLGQSA-N 277.320 1.646 0 50 CDAA CCc1ccc(CN2CCOC[C@H](CO)C2)nc1 77524417 SHPMAPKJVHXVIR-ZDUSSCGKSA-N 250.342 1.085 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc(C)o1 643848210 ZDJPNSZSAKIGST-ZDUSSCGKSA-N 267.281 1.294 0 50 CDAA c1nc(N2CCC3(CCNC3)CC2)c2cc[nH]c2n1 577209481 UGHQWWAPHXWUHF-UHFFFAOYSA-N 257.341 1.538 0 50 CDAA COc1c(N)ncnc1N1CC[C@@H](C2CCOCC2)C1 582371011 IOTNCQKPCZDQEL-LLVKDONJSA-N 278.356 1.320 0 50 CDAA O=C1O[C@H](CN2CCc3ccc(CO)cc32)CC12CC2 368907750 YIZIOQWFCDYKHW-ZDUSSCGKSA-N 273.332 1.637 0 50 CDAA Cn1cncc1CN1CCC[C@@H](c2ccncn2)C1 370236511 PGMPDZQKBDLZSY-GFCCVEGCSA-N 257.341 1.590 0 50 CDAA COC(=O)c1nc(C2CCOCC2)[nH]c1Br 953033985 WLRYBEKZPIDMDF-UHFFFAOYSA-N 289.129 1.853 0 50 CDAA CCOC(=O)C1=C(C)Nc2nc(C)nn2[C@@H]1c1cccnc1 9423382 KAZYKPMEBPRWJR-CYBMUJFWSA-N 299.334 1.834 0 50 CDAA Cc1ncc(C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c(O)n1 2100483985 WVBYMXAFFPHSGU-BKUVIOGVSA-N 291.351 1.112 0 50 CDAA CCCNc1ccc(C(=O)N2C[C@@H](O)[C@H](F)C2)cc1 1506421717 UNPXKTVMTPPMFU-CHWSQXEVSA-N 266.316 1.663 0 50 CDAA Cc1c(C(=O)N(C)[C@H](C)C2CCC2)nnn1[C@@H]1CCOC1 2325769937 VPKZEXVYENUZPM-ZWNOBZJWSA-N 292.383 1.809 0 50 CDAA Cc1cnc2ccc(C(=O)N[C@@H](CO)Cc3ccoc3)cn12 2325795127 HMUPHFPOQMPXHO-CQSZACIVSA-N 299.330 1.569 0 50 CDAA O=C(NCc1cccnc1)c1ccc2c(c1)OCCO2 4676357 IHADJHYMJZUBMD-UHFFFAOYSA-N 270.288 1.783 0 50 CDAA CC(=O)OC(OC(C)=O)c1cn(C(C)=O)c2nccnc12 4955310 MUXNWAIPHZVGMY-UHFFFAOYSA-N 291.263 1.216 0 50 CDAA O=C(Cc1ccccc1)Nc1ccc(-n2cnnn2)cc1 6287565 UKVCTKSSGZKEIS-UHFFFAOYSA-N 279.303 1.844 0 50 CDAA CCOC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1N 6661905 JCMDLOLPICVEMT-UHFFFAOYSA-N 297.318 1.859 0 50 CDAA O=S(=O)(Nc1ncccn1)c1cc(F)ccc1F 6699389 WKZNVXHNFSHZIG-UHFFFAOYSA-N 271.248 1.556 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)C[C@H](C)O1 6741872 OKMCEDSLXKAIAY-IUCAKERBSA-N 291.319 1.763 0 50 CDAA Cc1cc2ncn(S(=O)(=O)N3CCCC3)c2cc1C 8844803 VKOADTPEPDALPP-UHFFFAOYSA-N 279.365 1.842 0 50 CDAA Cc1cccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)n1 225438469 OPBZFMXFFLMXGE-UHFFFAOYSA-N 289.257 1.786 0 50 CDAA CC[C@@H](Sc1nncn1C)C(=O)Nc1nccs1 9095990 IJIYQMAFMFPXDJ-SSDOTTSWSA-N 283.382 1.781 0 50 CDAA COC(=O)c1cc(C)nc(N2CCC([C@H](C)O)CC2)n1 225540540 GRJVANQKIBRZEN-JTQLQIEISA-N 279.340 1.169 0 50 CDAA Cc1ccnc(SCc2cc(=O)n3nc(C)nc3[nH]2)n1 100128270 MSGITHGCHYBEEC-UHFFFAOYSA-N 288.336 1.117 0 50 CDAA C[C@@]1(O)CCN(Cc2cccc(CN3CCOCC3)c2)C1 420917458 RRBMBKBNJOYIOK-QGZVFWFLSA-N 290.407 1.476 0 50 CDAA C[C@H](NC(=O)NCc1cc(=O)[nH]cn1)C1CCCCC1 23251167 ABUYOBPIFBWBPD-JTQLQIEISA-N 278.356 1.538 0 50 CDAA NC(=O)Cn1ccnc1-c1ccc(CN2CCCC2)s1 65408646 XYQPSHCGVCBEHX-UHFFFAOYSA-N 290.392 1.693 0 50 CDAA COc1ccc2c(c1)cc(C=CC(=O)O)c(=O)n2C 1951300587 HCQDEZBVPONVNF-UHFFFAOYSA-N 259.261 1.645 0 50 CDAA biogenic NCc1nc(-c2ccc(NC(=O)[C@@H]3[C@H]4CCC[C@H]43)cc2)n[nH]1 248830687 BIAMJQRFWTVMFC-IMRBUKKESA-N 297.362 1.915 0 50 CDAA Cn1nncc1CNC[C@H]1CCO[C@@H]1C(C)(C)C 328645526 ZTQNIDGYIFCIDW-PWSUYJOCSA-N 252.362 1.356 0 50 CDAA O=C(c1ccccc1O)N1CCC[C@@H](N2CCNC2=O)C1 139413092 OBHCLMOJJZINRL-LLVKDONJSA-N 289.335 1.022 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)Cc1csc(C)n1 65490842 YLBBRQYRUIUIGN-MRVPVSSYSA-N 279.369 1.483 0 50 CDAA O=C1C[C@@]2(CCc3c(Br)cccc32)C(=O)N1 232481995 IRXDCBBMUNWZFN-GFCCVEGCSA-N 280.121 1.680 0 50 CDAA c1nc(NC[C@H]2CCCO2)ncc1CN1CCSCC1 214987805 WCPMMGJSYKUASF-CYBMUJFWSA-N 294.424 1.616 0 50 CDAA CCOC[C@H]1CCN(C(=O)Cc2ccnc(OC)c2)C1 328592768 BBBVLXMELJBRCQ-ZDUSSCGKSA-N 278.352 1.518 0 50 CDAA COc1ncc(C)cc1NC(=O)C1(S(C)(=O)=O)CCC1 280361718 NVDYSHGOVQGZKZ-UHFFFAOYSA-N 298.364 1.304 0 50 CDAA CN(C)c1nc(CSc2ncnc3[nH]cnc23)ns1 151597468 CPUFAUMHSAUNHE-UHFFFAOYSA-N 293.381 1.563 0 50 CDAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3nccn3C)C2)n1 215886074 LEXRRQLVYOWXDO-GFCCVEGCSA-N 273.340 1.321 0 50 CDAA CC(C)NC(=O)[C@H]1C(=O)[C@@H](C)N(Cc2ccccc2)C1=O 122136107 DTTLABNRFSCHQI-DGCLKSJQSA-N 288.347 1.127 0 50 CDAA COc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)cc1C 257366245 OZIDBLWYALJSCC-YPMHNXCESA-N 298.408 1.232 0 50 CDAA CNc1nc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)cs1 72146803 DNIVCRDQYIROJC-CYBMUJFWSA-N 296.396 1.601 0 50 CDAA CS[C@H]1CCC[C@H](NC(=O)C2(C(=O)O)CC2)C1 154903882 DDLMVMZGVDVJNG-IUCAKERBSA-N 257.355 1.642 0 50 CDAA Cc1cc(C)n(CCNC(=O)[C@H]2CCCCO2)n1 214992738 DQABUVXHIMIGAT-GFCCVEGCSA-N 251.330 1.185 0 50 CDAA Cn1cncc1CN[C@@H]1CCN(CC(F)(F)F)C1 237942829 OYHUCHQURQCVEL-SECBINFHSA-N 262.279 1.146 0 50 CDAA CC[C@H]1COCCN1C(=O)c1cnn2ccccc12 77422630 KLIPJCFTKASGRL-NSHDSACASA-N 259.309 1.585 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)C1=CCCCO1 371346384 WNNOTHBFJJXCNX-GFCCVEGCSA-N 291.351 1.621 0 50 CDAA C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(F)c(Cl)c1 129874710 HOPVUMKXLFFDJS-SCZZXKLOSA-N 287.718 1.701 0 50 CDAA Cc1cccnc1C(=O)N1CC(=O)N(CC(F)(F)F)C1 335307615 QGHURCLMLYCXOW-UHFFFAOYSA-N 287.241 1.194 0 50 CDAA O=C(Cc1ccon1)N1CCOC[C@H]1C1CCC1 335400927 TYHQVZZLNXITEP-LBPRGKRZSA-N 250.298 1.245 0 50 CDAA Cn1cnc(S(=O)(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c1 77320156 BXODUAODSFBYJZ-DCAQKATOSA-N 269.370 1.277 0 50 CDAA Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc(F)cc1 36353135 GWYWKXMXBJKFEF-UHFFFAOYSA-N 295.277 1.876 0 50 CDAA Cc1nonc1CC(=O)N1CCC[C@H]1c1c(C)noc1C 219901252 ZIRQFFDULVZAQQ-LBPRGKRZSA-N 290.323 1.889 0 50 CDAA O=S(=O)(NCC1(C2CC2)CCC1)[C@H]1CCOC1 333314581 JVZIIOYFXCTSQV-NSHDSACASA-N 259.371 1.275 0 50 CDAA CN(CCCC(=O)O)C(=O)c1cc(C2CC2)[nH]n1 237021708 SUTQPISJWPNFJQ-UHFFFAOYSA-N 251.286 1.224 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2cncc(F)c2)C1 284479372 FJFBRDJFQPLFJV-OLZOCXBDSA-N 291.330 1.609 0 50 CDAA C[C@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)CCN1 237576542 OCZQCNCBUZFPJX-LBPRGKRZSA-N 298.346 1.703 0 50 CDAA CC[C@@]1(C)COCCN1S(=O)(=O)c1cncc(C)c1 1365684479 XKTHBJSFTLGKSD-ZDUSSCGKSA-N 284.381 1.580 0 50 CDAA NC[C@@H](O)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 77453560 NBASUJHSFUYIER-HNNXBMFYSA-N 294.370 1.317 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CCNC2)c2ccc(F)cc2O1 237767928 HPKOTKSKQUZOOM-UWVGGRQHSA-N 264.300 1.549 0 50 CDAA CCc1ccc(CCN2CCO[C@H](C)[C@H]2C(N)=O)cc1 284599083 BMTUMMXDSUWMSJ-DOMZBBRYSA-N 276.380 1.366 0 50 CDAA CC(C)(O)CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 334311354 RDILNSTUAFXOPM-GXFFZTMASA-N 299.317 1.760 0 50 CDAA CN(CCCc1nccn1C)C(=O)Cc1ccncc1 223269584 WRSNPCMSVZDWFI-UHFFFAOYSA-N 272.352 1.449 0 50 CDAA O=C(O)[C@@H]1CCC[C@@H]1N=c1[nH]nc(C(F)F)s1 379744931 AONIWMIUPXBWIT-UHNVWZDZSA-N 263.269 1.563 0 50 CDAA CCN(CC)C(=O)CN1CCC[C@H](c2nccn2C)C1 82119926 AJTFYJNTEYBBMA-ZDUSSCGKSA-N 278.400 1.468 0 50 CDAA CCN(CCCCO)C(=O)NCc1ccc(O)cc1 426689055 BRNWPNYDWDDOKV-UHFFFAOYSA-N 266.341 1.696 0 50 CDAA Cc1ccc(C(N)=O)cc1NC(=O)C(F)(F)C(F)F 176260831 KZBWLOBQVIJJOH-UHFFFAOYSA-N 278.205 1.933 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@H](c1ncc[nH]1)C(C)C 288271071 XBBOMIHUQLNYJT-ZDUSSCGKSA-N 275.356 1.806 0 50 CDAA Cc1cncnc1-c1noc([C@H]2CN(C)C[C@@H](C)O2)n1 527545470 UMIVAVOTTGRPAQ-NXEZZACHSA-N 275.312 1.227 0 50 CDAA Cc1ccc(N(CCCC(=O)O)S(C)(=O)=O)cc1C 226087111 VCTQKIFLXVOHFY-UHFFFAOYSA-N 285.365 1.934 0 50 CDAA CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@@H](CN)C1 178592163 BSLCTCMLORBGTD-KBPBESRZSA-N 276.380 1.960 0 50 CDAA CC(C)(C)CCC(=O)N1CCN(c2nc[nH]n2)CC1 426388112 DZTUGIKJRKUDFG-UHFFFAOYSA-N 265.361 1.280 0 50 CDAA O=C1CCCN1CCCc1nc([C@@H]2CCOC2)no1 96138139 PKLVGCIXCVMTQY-SNVBAGLBSA-N 265.313 1.129 0 50 CDAA Cc1nc(CN2CCCC[C@H]2CN2CCOCC2)c[nH]1 97742610 WUOPFWPUVLZUOA-HNNXBMFYSA-N 278.400 1.405 0 50 CDAA CN(C(=O)CCOc1ccccc1Cl)[C@H]1CCNC1 179068452 FVGIILVHAVUAHY-NSHDSACASA-N 282.771 1.929 0 50 CDAA Cn1cc(CCN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cn1 91304784 WZYIPZFCHAGTFF-QWHCGFSZSA-N 263.341 1.005 0 50 CDAA CS(=O)(=O)CCC(=O)N1CCC[C@H]1c1cccnc1 330450710 JMXQVOTUDNHCGP-LBPRGKRZSA-N 282.365 1.180 0 50 CDAA Cc1cc(COc2ccc3c(c2)n(C)c(=O)n3C)ncn1 292148099 VBHNFQPQJGZVJC-UHFFFAOYSA-N 284.319 1.554 0 50 CDAA CC[C@@H](O)Cn1ncnc1-c1cc(Cl)cn1C 95392324 AAGZSDCPMICAFK-SECBINFHSA-N 254.721 1.708 0 50 CDAA Cc1cccc(-n2nc([C@@H]3CCOC3)nc2CNC2CC2)n1 97604290 AFBSXVDLDOWGAC-GFCCVEGCSA-N 299.378 1.727 0 50 CDAA Cc1nc2ccc(NC(=O)NC[C@]3(O)CCOC3)cc2o1 179382942 AOCHRYBTBSOZFA-CQSZACIVSA-N 291.307 1.409 0 50 CDAA C[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@]1(C)O 91708148 UOZAOISZHIKFLN-PELKAZGASA-N 272.732 1.490 0 50 CDAA Cc1ccc(F)cc1CNC(=O)c1csnn1 334163194 WITWQEXETPVORJ-UHFFFAOYSA-N 251.286 1.916 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1ccc([S@@](C)=O)cc1 237126362 NVTMUWKRVUANJW-HXPMCKFVSA-N 280.393 1.248 0 50 CDAA CC[C@@H](C)[C@H](CO)NC(=O)c1cnn(C(C)C)c1 230210810 BQNCGZPFHNRHGJ-PWSUYJOCSA-N 253.346 1.601 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)c2ccccc2-n2cccn2)C1 237654503 SRBXTLJRSFFQRU-INIZCTEOSA-N 299.330 1.809 0 50 CDAA O=C(NCc1ccon1)[C@@H]1CCOc2ccccc2C1 95501195 GBSSAHKCKFAUMH-GFCCVEGCSA-N 272.304 1.932 0 50 CDAA Cc1csc(NC(=O)[C@@H](C)N(C)C2CCOCC2)n1 244678570 IFZIWLKZDBPIBK-SNVBAGLBSA-N 283.397 1.889 0 50 CDAA O=C(NCc1cccnc1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 245997700 JKHOUJGDTZLPNY-QSLWVIQJSA-N 257.337 1.925 0 50 CDAA O=C([C@H]1CCCOC1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 245287229 BNZPBTFUPAKBMS-YHUYYLMFSA-N 292.423 1.746 0 50 CDAA Cc1cc2n(n1)CCN(Cc1nnc(-c3ccco3)o1)C2 244873321 WOECWQUFHDYETO-UHFFFAOYSA-N 285.307 1.850 0 50 CDAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ncn[nH]1 243900881 AWVPQUYFNRVDAN-XKSSXDPKSA-N 278.337 1.108 0 50 CDAA C[C@@H]1SCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)[C@H]1C 343065319 JEPMTNZNMUMMLZ-HHHUOAJASA-N 255.383 1.906 0 50 CDAA CCC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)CC 183043996 YGPMMMPEENTWFT-LLVKDONJSA-N 276.402 1.107 0 50 CDAA N=c1[nH]nc(CNC(=O)C23CC4CC(CC(C4)C2)C3)s1 534583202 DJEZGYXZAQYCTF-UHFFFAOYSA-N 292.408 1.783 0 50 CDAA Cc1[nH]c2ccccc2c(=O)c1CC[C@H](C)NCC(=O)O 534676830 KHXPZQRPPGCWQE-JTQLQIEISA-N 288.347 1.832 0 50 CDAA O=C1CCc2c1cccc2C(=O)NCCc1ncc[nH]1 534585942 UKWZLPHUHZJJOX-UHFFFAOYSA-N 269.304 1.511 0 50 CDAA COc1cc(NC(=O)[C@@H](C)n2cc(C)cn2)ncn1 1940196908 DCZGPSHPBLRBBU-SECBINFHSA-N 261.285 1.190 0 50 CDAA CCNC(=O)c1cccc(OC)c1OCCCN 299795680 LSQQVXMJRLEYAX-UHFFFAOYSA-N 252.314 1.173 0 50 CDAA Cc1nccnc1N1CCOC2(CCN(C)CC2)C1 645384790 BJLKDDWJWUKZOI-UHFFFAOYSA-N 262.357 1.086 0 50 CDAA COc1ccc(NC(=O)N[C@H]2CCOC2)cc1NC(C)=O 299773442 BEQMZBCKLOERAA-NSHDSACASA-N 293.323 1.564 0 50 CDAA CCCc1cc(CNS(=O)(=O)c2cnn(CC)c2)on1 823020309 WLJVEMDHBXWRMK-UHFFFAOYSA-N 298.368 1.322 0 50 CDAA CC(C)N1CCC[C@H](C(=O)NCCC2(O)CCCC2)C1 827733344 WXTAJQXKUAKIHL-AWEZNQCLSA-N 282.428 1.918 0 50 CDAA COc1cccc(C)c1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 952982957 HXSHWZMEJUNLFZ-AWEZNQCLSA-N 297.376 1.311 0 50 CDAA Cc1cncc(N2CCC(CNC(=O)C3(C)CC3)CC2)n1 952966151 HNOYUMHPVXKQCX-UHFFFAOYSA-N 288.395 1.918 0 50 CDAA CCCCNC(=O)c1cnc2sccn2c1=O 16648069 FHFQBUCERPWQTL-UHFFFAOYSA-N 251.311 1.286 0 50 CDAA CC1(S(=O)(=O)NC(=O)[C@@H]2CCCC(F)(F)C2)CC1 408346087 OVBXZNVIWGWSHN-MRVPVSSYSA-N 281.324 1.810 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 408473639 FJUCERKNLNJJFI-RFGFWPKPSA-N 289.379 1.895 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3C[C@H](C)CCN3C2=O)n1 170613911 OJBUPUIBZFZGOP-KOLCDFICSA-N 259.309 1.957 0 50 CDAA Cn1nc(CCNC(=O)NC2CC2)c2ccccc21 186955233 CCMZQGKFOFWNBO-UHFFFAOYSA-N 258.325 1.577 0 50 CDAA Cn1nncc1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 666867570 UXGAPINBTVRBHJ-CQSZACIVSA-N 288.326 1.860 0 50 CDAA COc1cccc([C@H](N)C(=O)N(C)CC2=CCCOC2)c1 638414738 CFJWIDIONHPUII-HNNXBMFYSA-N 290.363 1.500 0 50 CDAA C[C@@H]1CO[C@@H](CO)CN1Cc1cccc2c1CCOC2 639519481 RJBOMXFFYIOGNS-IUODEOHRSA-N 277.364 1.341 0 50 CDAA O=C(Nc1ccc(N=c2cncc[nH]2)cc1)[C@@H]1CCCO1 642227154 RBBYBQOVMDUTIB-ZDUSSCGKSA-N 284.319 1.760 0 50 CDAA N=c1[nH]c2c(s1)C[C@@H](NC(=O)Cc1ccoc1)CC2 556828314 IZGVWMDOBQCRDJ-VIFPVBQESA-N 277.349 1.365 0 50 CDAA O=C(NCCc1cccc(O)c1)Nc1cnns1 190793771 UMYBEJZVTNAALA-UHFFFAOYSA-N 264.310 1.608 0 50 CDAA CC(C)N(C)C(=O)N1CCC(Cn2ccnn2)CC1 190865460 VDDDLADQNOPPAD-UHFFFAOYSA-N 265.361 1.450 0 50 CDAA O=C(NCc1nccs1)N[C@H]1C[C@H]2CC[C@H]1O2 191282578 KZHQWKLFZXAIKA-HRDYMLBCSA-N 253.327 1.262 0 50 CDAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC2COCOC2)C1 585116867 KWXCZIXDOYALKN-DZGCQCFKSA-N 298.427 1.624 0 50 CDAA CC(C)[C@@H](O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 585119243 YSOXTQZGRRFVOT-WFASDCNBSA-N 294.326 1.610 0 50 CDAA CC(C)c1ccc(C(=O)N[C@@H](C)CC(=O)O)nc1 570942714 MCICDVONMYHPTD-VIFPVBQESA-N 250.298 1.798 0 50 CDAA O=C(O)c1cccc(NS(=O)(=O)C[C@@H]2CCCOC2)c1 788139884 PSPFCTYDLMCVOU-SNVBAGLBSA-N 299.348 1.553 0 50 CDAA COCc1csc(C(=O)N2CC[C@@]2(C)CO)c1 1775994001 ZJYOCDOMXRUSFE-LBPRGKRZSA-N 255.339 1.491 0 50 CDAA CC(=O)NC[C@@H]1CCCCN1C(=O)CCCC1(C)N=N1 1615056656 LXDJPWMOPBVDPA-LBPRGKRZSA-N 280.372 1.856 0 50 CDAA C[C@@H](NC(=O)OC1CCCC1)[C@H](CCC(=O)O)C(=O)O 1616039689 TUWMTMQCTKGKKH-SCZZXKLOSA-N 287.312 1.609 0 50 CDAA O=S(=O)(N[C@@H]1CCN2CCCC[C@@H]12)c1ccccc1 216281643 CCJULNHRHTZKFT-KGLIPLIRSA-N 280.393 1.592 0 50 CDAA Cc1ccc(S(=O)(=O)NCCc2cnoc2)o1 907383886 IZXCPJMENJKBGY-UHFFFAOYSA-N 256.283 1.097 0 50 CDAA Cc1cnc(N2CC[C@H](C(C)(C)O)C2)nc1N(C)C 1506417695 OHPSKJZQSYMVRR-NSHDSACASA-N 264.373 1.448 0 50 CDAA C[C@H](NC(=O)C1(C)CCOCC1)c1csnn1 1120745891 FIBAWHYHAGCGPA-QMMMGPOBSA-N 255.343 1.532 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1Cc1nncn1C1CCCCC1 1800410365 RSPFYHNFUGCTTG-CHWSQXEVSA-N 289.383 1.246 0 50 CDAA Cc1cccc(C(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)c1Cl 1704300630 ZLFYKDFKCVMSKI-GXSJLCMTSA-N 297.738 1.556 0 50 CDAA CN(C)c1nccnc1N1CCC[C@@H](N(C)C)CC1 1704344724 XJTLTIPBZRNLRO-GFCCVEGCSA-N 263.389 1.463 0 50 CDAA COCC1(CN[C@H]2CCCCC[C@@H]2N)CCOCC1 332286435 GVPMBAQVZBOCLX-KBPBESRZSA-N 270.417 1.679 0 50 CDAA COC(=O)[C@@]12CCNC[C@H]1N(C(=O)OC(C)(C)C)CC2 238323829 XNWFUTXQCYIPOV-QMTHXVAHSA-N 284.356 1.149 0 50 CDAA CC[C@@H](N=c1nc(C)[nH]n1C)c1cn2cccnc2n1 1704312080 YTIBKMJPGOUDRJ-SNVBAGLBSA-N 271.328 1.151 0 50 CDAA CC[C@H](C(=O)O)N(C)S(=O)(=O)c1sccc1Cl 577157206 PBWQTRSEIPACQG-SSDOTTSWSA-N 297.785 1.885 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)n[nH]1 1565515966 UERKZLGCFUWGNR-YPMHNXCESA-N 264.373 1.376 0 50 CDAA CCCCN(C)S(=O)(=O)N1CCCC[C@@H]1[C@@H](O)CC 229971976 KSMFXCSJXZXOMY-OLZOCXBDSA-N 292.445 1.589 0 50 CDAA Cc1nn2ncccc2c1C(=O)N[C@@H]1CCc2c[nH]nc2C1 1775981243 ICQDMGUSSVCAQZ-LLVKDONJSA-N 296.334 1.048 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1 1772704305 AEFBPCHQQNTTCP-VXGBXAGGSA-N 294.376 1.070 0 50 CDAA CN(Cc1ccccc1)S(=O)(=O)N1C[C@H]2C[C@@]2(C)C1 1775979392 HRQUCVNNIZITGN-KGLIPLIRSA-N 280.393 1.705 0 50 CDAA Cc1cc(C)c(S(=O)(=O)n2cncc2C=O)c(C)c1 5314011 NATCCOJJUXEERX-UHFFFAOYSA-N 278.333 1.858 0 50 CDAA CCOC(=O)c1cccc(CSc2n[nH]c(N)n2)c1 5903341 QFUXLWPIIOLEEP-UHFFFAOYSA-N 278.337 1.856 0 50 CDAA Cc1ccc(C)c(NC(=S)NCCN2CCOCC2)c1 19840958 WQTCHIRRHWHMEG-UHFFFAOYSA-N 293.436 1.922 0 50 CDAA Cc1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1 19959459 RGFFQUWSAVVVDN-UHFFFAOYSA-N 277.287 1.737 0 50 CDAA Cc1cnnc(N2CCN(CC3CC3)[C@@H](CCO)C2)c1C 1857680738 NPAJXXQDERFAQX-HNNXBMFYSA-N 290.411 1.376 0 50 CDAA O=C(c1n[nH]c2c1COCC2)N1CCc2sccc2C1 1857682381 JNDLLDDMALBDHR-UHFFFAOYSA-N 289.360 1.742 0 50 CDAA CN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1 1875242911 HXRLTUBIVOWOGB-ZLKJLUDKSA-N 280.343 1.272 0 50 CDAA Cc1cc(=O)cc(C)n1CCCC(=O)N1CCO[C@@H]2C[C@H]21 646741859 JQOKSVWLQYOLQZ-HUUCEWRRSA-N 290.363 1.245 0 50 CDAA COc1ccc(CN2C[C@@H](C(=O)O)CC2=O)c(OC)c1 9246006 OZFGRQLUQFPWPR-JTQLQIEISA-N 279.292 1.137 0 50 CDAA in-vitro O=C(O)CCNC(=O)c1cccc(-n2cccn2)c1 238191091 GOIVWJCXJVEXQB-UHFFFAOYSA-N 259.265 1.077 0 50 CDAA O=C(O)c1ccc2n[nH]c(I)c2c1 14983417 DYZNTIADYAHDQK-UHFFFAOYSA-N 288.044 1.866 0 50 CDAA in-vitro CC(C)[C@@]1(O)CN(c2ncnc3c2CCC3)C[C@@H]1C 248204236 YWYBFHWTURMCDF-NHYWBVRUSA-N 261.369 1.809 0 50 CDAA CN(Cc1ccsc1)C(=O)[C@H]1CCc2nnn(C)c2C1 685570147 USWMSOVFKUKCOR-NSHDSACASA-N 290.392 1.640 0 50 CDAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1cc2nc(C)ccc2o1 375067363 ZUEBLDHNURGCQF-QWRGUYRKSA-N 291.326 1.908 0 50 CDAA CC(C)(O)CCNC(=O)N1CC[C@H](Cc2ccncc2)C1 375380062 UUYNKPQRHLBTQG-CQSZACIVSA-N 291.395 1.817 0 50 CDAA CC(C)N1CCN(CCC(=O)NCc2cccs2)CC1 585135409 IGQLXMJWRZFEJC-UHFFFAOYSA-N 295.452 1.780 0 50 CDAA COC(=O)[C@@H]1CC12CCN(C(=O)c1ccccn1)CC2 265063913 NNHNFIYTWFTGRG-NSHDSACASA-N 274.320 1.497 0 50 CDAA O=C(c1cncs1)N1CCN(c2cc(F)ncn2)CC1 908890516 MEBPOSHLDBTHJC-UHFFFAOYSA-N 293.327 1.035 0 50 CDAA O=C(CCc1ccc(O)nc1)NC[C@]12CCC[C@H]1OCC2 830770664 VOBJVBIWUIDCAZ-CZUORRHYSA-N 290.363 1.795 0 50 CDAA CN[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(=O)OC)C1CC1 831146008 AIJQXVMPBPXXID-RYUDHWBXSA-N 284.400 1.469 0 50 CDAA CCN(CC)C[C@H]1CCN(C(=O)Nc2cnnn2C)C1 931274840 IYLLLLIPGSILFD-LLVKDONJSA-N 280.376 1.011 0 50 CDAA CN(Cc1cnc(-c2ccccc2)o1)[C@@H]1COC[C@H]1O 931746401 HOMWOPMYUVBGPI-ZIAGYGMSSA-N 274.320 1.533 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC[C@H](c2cccc(C)c2)C1 860768182 OUEZRRYEXZUQCU-HNNXBMFYSA-N 286.375 1.955 0 50 CDAA CC(C)CN1CCC[C@H]1C(=O)N1CCO[C@@H]2CCC[C@@H]21 952848920 LDXIIKWEEDYBOK-SOUVJXGZSA-N 280.412 1.887 0 50 CDAA Cc1nnsc1[C@@H](C)NCCC1(O)CCOCC1 1875285219 HAXNSMDXOZPLCA-SECBINFHSA-N 271.386 1.429 0 50 CDAA Oc1nc2cccc(-c3ccc(N4CC[C@@H](O)C4)nc3)c2[nH]1 1875283532 VYHRYSNAZJVJNC-LLVKDONJSA-N 296.330 1.902 0 50 CDAA CCOCCN1CCC(=O)N(C[C@H]2CC2(F)F)C1=O 1875293213 GXJGIOMYQNGGIO-SECBINFHSA-N 276.283 1.332 0 50 CDAA C=CC(=O)N(C)CC(=O)N1C[C@H](C)c2ccncc21 1875371096 OSGYYGVBMCOZHC-JTQLQIEISA-N 259.309 1.176 0 50 CDAA O=C1NCCN[C@@H]1c1ccc([C@@]23CCC[C@H]2C3)cc1 1875304386 JDQOWIBNVFCZDE-LZWOXQAQSA-N 256.349 1.889 0 50 CDAA C=CC(=O)N1CC(C(=O)N[C@H]2CC[C@@]3(C2)CC3(F)F)C1 1875387479 JWGZHMQSVNOHII-GXFFZTMASA-N 284.306 1.325 0 50 CDAA C=CC(=O)N[C@H]1CCCN(c2cnc3ccccc3n2)C1 1875375389 AXLWJNDBOCBNED-LBPRGKRZSA-N 282.347 1.901 0 50 CDAA CCOc1ncccc1-c1nnc([C@]2(OC)CCOC2)o1 886082104 AMZFBCCRVUAJKY-AWEZNQCLSA-N 291.307 1.792 0 50 CDAA c1ncn(C[C@@H]2CCCN2C[C@H]2CCCCO2)n1 248126219 WZRQXOUFTGEWQR-QWHCGFSZSA-N 250.346 1.312 0 50 CDAA Cc1cnn(C)c1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1 1775959385 RWTXXQQRRRWGPR-RISCZKNCSA-N 275.356 1.319 0 50 CDAA O=C(O)CCCNC(=O)CCn1cnc2ccccc21 37434227 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2325813549 ZYEAUEXHVRWAJS-JTQLQIEISA-N 285.319 1.472 0 50 CDAA Cn1nc(COc2nnc3ccccn23)cc1Cl 2325819763 PFVXXPOOSSSMAC-UHFFFAOYSA-N 263.688 1.695 0 50 CDAA O[C@H](COc1ccc(F)cc1)Cn1nnc2c1CCCC2 899905849 LCXNQFMPQLNVQW-LBPRGKRZSA-N 291.326 1.736 0 50 CDAA COC[C@@]12COC[C@@H]1CN(c1nnc(C(C)(C)C)o1)C2 2356142260 KVOKTUBYWFNZQP-HZMBPMFUSA-N 281.356 1.466 0 50 CDAA O=C(O)c1ccn(Cn2cc(Br)cn2)n1 2526598 JDEUMWYKPZZSPX-UHFFFAOYSA-N 271.074 1.046 0 50 CDAA CCOc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 7918401 SKXPWYJLIIMNFQ-LLVKDONJSA-N 297.376 1.849 0 50 CDAA CCCNC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 59740150 ACFFUPPUHOTXQL-LLVKDONJSA-N 254.374 1.797 0 50 CDAA CC[C@]1(CO)CCCN(C(=O)Nc2nncs2)C1 55307818 IZBIYQOSNROPDP-NSHDSACASA-N 270.358 1.555 0 50 CDAA CCOc1ccccc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 101264922 PEIUVAWYZLLXLY-NSHDSACASA-N 286.291 1.660 0 50 CDAA COC(=O)[C@]12C[C@@H]3[C@@H]([C@@H]1C(C)=NN2C(C)=O)C3(C)C 105271264 YDKGIZGIQKTBSY-ZHPDPMBESA-N 264.325 1.428 0 50 CDAA CC(=O)NCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1 55755822 RKAUVBBDWLXWDZ-UHFFFAOYSA-N 291.351 1.290 0 50 CDAA CCc1ncc2c(n1)CN(C(=O)[C@@H](C)n1ccnc1)C2 67895316 GFTYLBKLFMXRKC-SNVBAGLBSA-N 271.324 1.339 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1ccc(-n2ccnc2)cc1 344833145 QHGRLECERWSNMY-ZFWWWQNUSA-N 275.327 1.777 0 50 CDAA Cc1cccc(N2CCN(S(C)(=O)=O)CC2)c1C 442230 PIGROBVLQVBAJG-UHFFFAOYSA-N 268.382 1.385 0 50 CDAA Cc1cc(C(=O)N(C)[C@H]2CCNC2)c(F)cc1F 135228357 CFFHYCSTNYMVCY-VIFPVBQESA-N 254.280 1.707 0 50 CDAA COc1cccc(CNC(=O)c2cnn3cccnc23)n1 346625866 APISCXDGXAQHAL-UHFFFAOYSA-N 283.291 1.063 0 50 CDAA Nc1nnc(CCNC(=O)/C=C/c2ccccc2)s1 20201725 HWMFCTUHAVBAOV-VOTSOKGWSA-N 274.349 1.492 0 50 CDAA CC[C@H]1CN(C(=O)COCC(F)(F)C(F)F)CCN1 67872286 UETOEIFCSCEHQI-QMMMGPOBSA-N 286.269 1.114 0 50 CDAA CC[C@@H](C)N(CC)C(=O)c1cc(CN2CCOCC2)on1 67894880 OEQMCLSAWQZILL-GFCCVEGCSA-N 295.383 1.767 0 50 CDAA CCn1ncnc1[C@@H](C)NC1CSCCSC1 67447017 LTPDMQSWPUIPSR-SECBINFHSA-N 272.443 1.797 0 50 CDAA CNC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC(C)(C)C 172088283 SCFFDUGMURVUCV-NSHDSACASA-N 290.429 1.353 0 50 CDAA CN1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CO)c2ccccc21 253370973 YXNNMLJUGQECKL-TUKIKUTGSA-N 274.364 1.418 0 50 CDAA CN(C(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccn1 363182156 QOUUXUPYPDVJRX-ZDUSSCGKSA-N 297.362 1.751 0 50 CDAA Cc1ncsc1CCn1cnnc1[S@@](C)=O 328973227 AODWQTWALAKUQU-MRXNPFEDSA-N 256.356 1.023 0 50 CDAA O=C([C@@H]1CCCCS1(=O)=O)N(CC1CC1)C1CCC1 329018685 RPWSZKSYQKGVHQ-ZDUSSCGKSA-N 285.409 1.745 0 50 CDAA CCCSc1ncc(CN2CC[C@H]3CNC[C@H]32)cn1 77425725 NRDNJKFYHWEPCO-QWHCGFSZSA-N 278.425 1.772 0 50 CDAA OC[C@]1(F)CCCN(Cc2nnc(C3CC3)n2C2CC2)C1 367859991 YSLFKIAOURRXDE-HNNXBMFYSA-N 294.374 1.787 0 50 CDAA Cc1noc(-c2cccnc2N2CC[C@H](n3cncn3)C2)n1 375317547 HTWIOUNIEKOTDS-NSHDSACASA-N 297.322 1.483 0 50 CDAA CCn1cc(N[C@@H]2CCN(C3CCOCC3)C2=O)cn1 368347711 XGHBMWILSWYQFV-CYBMUJFWSA-N 278.356 1.095 0 50 CDAA CCn1ccnc1CN(CCOC)[C@@H]1CC12CCNCC2 261790578 QGQUOPXXVKPGID-CQSZACIVSA-N 292.427 1.494 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 36365813 LIPRSPPCSIQIBP-CYBMUJFWSA-N 286.331 1.965 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)O2 34084897 FUTMXISUVQILLR-UHFFFAOYSA-N 256.302 1.496 0 50 CDAA N[C@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1 70458574 FNVPVFCDGNSYPZ-ZDUSSCGKSA-N 279.347 1.934 0 50 CDAA CCCC(=O)N1CCC[C@H](C(=O)Nc2nc(C)no2)C1 127021303 UDZBQERTNNDJGD-JTQLQIEISA-N 280.328 1.355 0 50 CDAA Cc1nc(NC(=O)N2CCC[C@H]2CN2CCCC2)nn1C 48353771 CKHOYRVJFPEMKI-LBPRGKRZSA-N 292.387 1.216 0 50 CDAA C[C@H]1CN(Cc2nnnn2C(C)(C)C)CC2(CCC2)O1 521039617 GWJWCLDUQRBWNM-NSHDSACASA-N 279.388 1.572 0 50 CDAA CCCC(=O)N1CCC(NC(=O)N(C)CC)CC1 521238325 VNYVWEBVDFIVKX-UHFFFAOYSA-N 255.362 1.439 0 50 CDAA CCN1CCC[C@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 174196589 ZTFFUIOEAIPPDC-LBPRGKRZSA-N 278.400 1.758 0 50 CDAA CC1(C)CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1O 336045924 IVFQHAGRXDZVMX-GFCCVEGCSA-N 267.369 1.423 0 50 CDAA CCOCCN1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C 242389443 ZXGPTXPFXNQJJI-NVXWUHKLSA-N 292.423 1.763 0 50 CDAA Cc1ccc(NC[C@@H]2CCN([C@@H]3C[C@@H](C)OC3=O)C2)nc1 222201986 VSASMZSSGSEMJL-HZSPNIEDSA-N 289.379 1.828 0 50 CDAA CO[C@H](C(=O)N1CCCN(C(C)=O)CC1)c1ccccc1 193065302 OSPFIVGFMOFSSL-HNNXBMFYSA-N 290.363 1.455 0 50 CDAA c1ccc(CCN=c2cc([C@@H]3CCOC3)nc[nH]2)nc1 426376562 SYMBAMDKOWRJGM-GFCCVEGCSA-N 270.336 1.452 0 50 CDAA O=C(N[C@@H]1CCCCNC1=O)c1cc(-c2ccccc2)on1 42478830 PPNJTNBMFPMEJN-GFCCVEGCSA-N 299.330 1.740 0 50 CDAA c1ccc(-n2nnnc2Cn2ccnc2[C@H]2CCOC2)cc1 82108278 UNPRILPFDVQTHW-LBPRGKRZSA-N 296.334 1.411 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)c1ccn(C(F)F)n1 223394077 DVOVTJUWURLVNO-SSDOTTSWSA-N 275.255 1.651 0 50 CDAA CC(C)[C@H](NC(=O)c1cccnc1O)c1nccn1C 220479064 IYVPWFHXWPJRDN-NSHDSACASA-N 274.324 1.648 0 50 CDAA Cn1ccnc1[C@@H](O)C1CCN(Cc2cscn2)CC1 89925184 ITQVOZXAPJLLQG-ZDUSSCGKSA-N 292.408 1.822 0 50 CDAA CC[C@H](CNC(=O)c1c(C)[nH]c(C)cc1=O)OC 426574782 RDZFBRXJTXKGFB-SNVBAGLBSA-N 252.314 1.147 0 50 CDAA CC(C)(C)CNC(=O)N(CCO)Cc1nccs1 426615149 MIDPQYTUBXUNCF-UHFFFAOYSA-N 271.386 1.693 0 50 CDAA Clc1cnc2c(I)n[nH]c2n1 238558839 USJKPCMUIKHZAM-UHFFFAOYSA-N 280.456 1.611 0 50 CDAA Cn1c(-c2nc3c([nH]2)CCCNC3=O)nc2ccccc21 95380572 GCAIMHZUOJOHIE-UHFFFAOYSA-N 281.319 1.639 0 50 CDAA O=C(NCC[C@@H]1CCOC1)c1cc(C(F)F)[nH]n1 426382895 JFXRPWPWUXTTPI-SSDOTTSWSA-N 259.256 1.504 0 50 CDAA COc1ccc(C(=O)N[C@@H](CCSC)C(=O)O)o1 426496697 NRZIPDNBHMPKQD-ZETCQYMHSA-N 273.310 1.224 0 50 CDAA O=C(NCCc1nc(C(=O)O)cs1)NC1CCCC1 90940316 AXMBWHAVULYSFI-UHFFFAOYSA-N 283.353 1.626 0 50 CDAA C[C@@H]1CN(c2nc(O)c3cn[nH]c3n2)CCC1(F)F 291101592 KNXYZPZHWBOVFJ-ZCFIWIBFSA-N 269.255 1.540 0 50 CDAA CC(C)(C)OC(=O)N1CCCc2nnc(O)cc21 96300664 UFSZHJIFMBOHDS-UHFFFAOYSA-N 251.286 1.870 0 50 CDAA COCc1ccc(C(=O)NCc2cc(C)nn2C)s1 97711813 IXUMTRKOXSLLAB-UHFFFAOYSA-N 279.365 1.866 0 50 CDAA Cc1noc(C)c1CN1CC(=O)N(C)c2ccccc2C1=O 95521616 UCOVNVDKWHFFDZ-UHFFFAOYSA-N 299.330 1.910 0 50 CDAA CNC[C@H]1CCN(C(=O)c2c(C(C)C)nn(C)c2Cl)C1 179009890 SVAAQZHIWHZYBH-SNVBAGLBSA-N 298.818 1.878 0 50 CDAA COC(=O)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 95642066 KOYDSWZQFFQEEE-IUCAKERBSA-N 259.302 1.232 0 50 CDAA Cc1nc(CNc2nc3c(s2)c(C)nn3C)cc(=O)[nH]1 96166754 PFECKNHMSIEWPX-UHFFFAOYSA-N 290.352 1.342 0 50 CDAA CCOC(=O)[C@@H]1CCN(C(=O)c2ccccc2)CC1=O 96643863 UTXCAQGSVCMLOG-GFCCVEGCSA-N 275.304 1.281 0 50 CDAA Cc1nc(O)cc(CN2CCC(N3CCCC3)CC2)n1 244774247 PQNWPHCGMDIORW-UHFFFAOYSA-N 276.384 1.551 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C[C@H]21 252484946 GKWSXNCRPIBYRU-MEBFFEOJSA-N 271.316 1.579 0 50 CDAA C[C@@](O)(Cc1ccccc1)C(=O)N1CC[C@@H](n2cccn2)C1 298292482 PADDIIRAVRWNIS-NVXWUHKLSA-N 299.374 1.650 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1cc(C2CC2)on1 534655879 KHDWHMSXIGBDLY-SECBINFHSA-N 250.298 1.595 0 50 CDAA Cn1cncc1C(=O)N1CCCN(c2ccccc2)CC1 290392057 ORMGLPAFFZLIOJ-UHFFFAOYSA-N 284.363 1.773 0 50 CDAA CN1C(=O)C[C@@H](C(=O)NCCCc2cccnc2)C1(C)C 299802726 WFZSOHMBAZDCCN-ZDUSSCGKSA-N 289.379 1.387 0 50 CDAA C[C@@H](NC(=O)CCS(C)(=O)=O)C1=CCCCC1 827989711 YMLRTHGUNHXNKL-SNVBAGLBSA-N 259.371 1.426 0 50 CDAA CN(CC(=O)NCCc1ccc(F)cc1)C[C@@H]1CCOC1 494551438 ZBOTZNXEXJTCND-AWEZNQCLSA-N 294.370 1.453 0 50 CDAA CCc1nccc(CN2CCc3nc(C)[nH]c3C2)n1 823556038 KPEYYXGHNKRFLI-UHFFFAOYSA-N 257.341 1.629 0 50 CDAA COCCOCC(=O)N[C@@H](C)Cc1ncccc1C 584902949 JSUCNZJLDLSNIN-LBPRGKRZSA-N 266.341 1.100 0 50 CDAA Cc1[nH]c(=N)sc1CC(=O)NC1(CO)CCCCCC1 584896944 ADCFRWFPSDCFOR-UHFFFAOYSA-N 297.424 1.608 0 50 CDAA CC(=O)NCCC1CCN(Cc2nc(C)c(C)n2C)CC1 670454827 XLKAGDJDCNUEMQ-UHFFFAOYSA-N 292.427 1.775 0 50 CDAA O=C(NC[C@H]1CN2CCCC[C@H]2CO1)NC1CCCC1 685939703 BOASFOHSGSGYOE-KBPBESRZSA-N 281.400 1.482 0 50 CDAA CC[C@H]1C=CCN1Cc1ccc(OCC(N)=O)c(OC)c1 952975533 LDGLDDWKPNWQRY-ZDUSSCGKSA-N 290.363 1.710 0 50 CDAA COCCN(C)CC(=O)Nc1cc(C)ccc1NC(C)=O 952977733 ODJMXLUHXKFKKI-UHFFFAOYSA-N 293.367 1.470 0 50 CDAA CS(=O)(=O)c1ccc(CN2CCN3CCC[C@H]3C2)cc1 244700889 JVVILEJFWVNZFT-AWEZNQCLSA-N 294.420 1.370 0 50 CDAA CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O 95626803 KBVJLYZEMMZQJU-GHMZBOCLSA-N 273.329 1.167 0 50 CDAA in-vitro CN1CCc2ncnc(N[C@@H]3CCCOCC3)c2C1 271939586 YMPPYDAJBAEBFD-LLVKDONJSA-N 262.357 1.446 0 50 CDAA COCC1(O)CCN(C(=O)Nc2ccc(Cl)cn2)CC1 270256859 OLGOYTYWRRKVPR-UHFFFAOYSA-N 299.758 1.740 0 50 CDAA CCCN(CC(=O)O)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 245225052 LQRJGAWJTAJMLS-YNEHKIRRSA-N 284.400 1.724 0 50 CDAA COc1cccc(C(=O)NCCNc2cncc(C)n2)c1 170087741 OBAOGFZQKRXMFJ-UHFFFAOYSA-N 286.335 1.636 0 50 CDAA CC[C@@H](N[C@H](C)C(=O)N(C)C)c1c(C)noc1C 170077215 JTJSTJJHDXFRNB-MWLCHTKSSA-N 253.346 1.809 0 50 CDAA C[C@H](OC(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2o1 170591790 TVSWKNOWELCPEX-VIFPVBQESA-N 299.286 1.840 0 50 CDAA COCCCNC(=O)[C@@H](C)N1CCOc2ccccc2C1 170633952 QDQBPQJHAGULIS-CYBMUJFWSA-N 292.379 1.422 0 50 CDAA CCNC(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 170609762 PFLDDVOPFJIWOS-SECBINFHSA-N 285.369 1.056 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCC(=O)NC23CCC3)c(C)nn1 669998141 MGOZINFZYJDRIW-GFCCVEGCSA-N 288.351 1.025 0 50 CDAA CC(C)c1nnc(CNC(=O)[C@H]2CCCO[C@@H]2C)n1C 190057491 RPVYJSXKSLITPB-MNOVXSKESA-N 280.372 1.370 0 50 CDAA CCCCS(=O)(=O)N[C@]12CCCC[C@H]1NCC2 725264466 PLEUJFYWTCYTOK-NEPJUHHUSA-N 260.403 1.381 0 50 CDAA O=C(Nc1cccc2nsnc12)[C@H]1COCCO1 585128955 RZGLUMHWWNLWQX-SECBINFHSA-N 265.294 1.045 0 50 CDAA COc1ccc2cc(C(=O)N3CCC[C@H]3C(=O)O)[nH]c2c1 648335590 UNHBTADGKPCRTQ-ZDUSSCGKSA-N 288.303 1.866 0 50 CDAA Cc1ccnc(NC(=O)c2cccc3c2OCO3)n1 194407098 HDXVKWIJKQHXOT-UHFFFAOYSA-N 257.249 1.766 0 50 CDAA NCCC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 195542303 TUZWVDKEMLLRQE-CYBMUJFWSA-N 250.317 1.708 0 50 CDAA C[C@H](CCc1ccccc1)NCCS(=O)(=O)N(C)C 65406385 WONVNSYNKCSCCJ-CYBMUJFWSA-N 284.425 1.489 0 50 CDAA Cc1nnc(CN(CC(F)F)C[C@H](C)O)s1 660738460 QRLBMTRKMVAHSM-LURJTMIESA-N 251.302 1.294 0 50 CDAA COc1ccc2oc(N3CC[C@@]4(O)C[C@H]4C3)nc2c1 664419059 AHEVJDRVHJHZJN-LKFCYVNXSA-N 260.293 1.798 0 50 CDAA Cn1nc(-c2ccncc2)cc1C(=O)NC1CC2(C1)C[C@@H]2N 1615545247 FMXLBOZVQHQMDW-WMEQCIOUSA-N 297.362 1.092 0 50 CDAA Cc1nnc(N2CC[C@H](c3cnccn3)C2)nc1C 1643226203 QVYONQVGJMNPIC-NSHDSACASA-N 256.313 1.272 0 50 CDAA C[C@@H](CS(=O)(=O)N(C)C)Nc1cccc(C2CC2)n1 1875275133 DZHWOVVFXLNLFG-JTQLQIEISA-N 283.397 1.651 0 50 CDAA Cc1nc[nH]c1CN(C[C@@H]1CCC(=O)N1)C(C)C 1506406000 PEUKVEPCKJCFSD-NSHDSACASA-N 250.346 1.207 0 50 CDAA COc1cnc(N(C)CCc2scnc2C)nc1 1529181809 WKDJNOHIWQIJGB-UHFFFAOYSA-N 264.354 1.929 0 50 CDAA COCCN1CC[C@H](CNc2cc(N)nc(SC)n2)C1 1529158729 JSYHBCXRQBLDRR-SNVBAGLBSA-N 297.428 1.161 0 50 CDAA OC[C@]12COCC[C@H]1CN(C1CSCCSC1)C2 1857668996 ITVRWUGGKMKMHX-WCQYABFASA-N 289.466 1.166 0 50 CDAA COc1cc(CNC(C)C)cc(Cl)c1OCC(N)=O 2884290 BZUTWRJSJLONGA-UHFFFAOYSA-N 286.759 1.711 0 50 CDAA CCNS(=O)(=O)c1cc(Br)ccc1OC 529057 PEBLRAOWTSGIAS-UHFFFAOYSA-N 294.170 1.756 0 50 CDAA in-vitro C[C@H](NCC1(CO)CCOCC1)[C@@]1(C)CCCO1 408011113 OPUWYVVNNIROMJ-QWHCGFSZSA-N 257.374 1.323 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)o1 1407216 QWVIOSJFVHTZTR-LLVKDONJSA-N 264.281 1.779 0 50 CDAA CN(C)c1cncc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 1704336249 HZOGQEXMIFJUMR-ZIAGYGMSSA-N 299.378 1.607 0 50 CDAA CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccsc2)CC1 331680591 UINVHKDQKCAYLI-LLVKDONJSA-N 287.406 1.787 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](n2cc(N)cn2)C1 16696925 FGJHGFJRZPJLDN-SNVBAGLBSA-N 252.318 1.647 0 50 CDAA in-vitro O[C@@H]1CCCN(C[C@@H](O)COc2ccc(F)cc2)C1 229106691 YKGRJGIGTUGOLA-CHWSQXEVSA-N 269.316 1.022 0 50 CDAA Cc1ncsc1CN1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772815116 DQQBOJXENQBAKJ-MNOVXSKESA-N 265.382 1.362 0 50 CDAA Cc1ccc(OCCCN(C)c2nnc(CN)o2)cc1 1772706258 WBTUIQPBYNSFOO-UHFFFAOYSA-N 276.340 1.742 0 50 CDAA CCN(CC)CCC[C@@H](C)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772811556 VTVKLPBRNBKKNL-KFWWJZLASA-N 284.444 1.030 0 50 CDAA CN(C)CCCNC1=CC(=O)OC12CCCCC2 18213124 AWEAKJNWRZRJLH-UHFFFAOYSA-N 252.358 1.671 0 50 CDAA Cc1ccc2nc[nH]c(=NCc3cn4ccncc4n3)c2n1 1857700767 LHIWOSUYXYOGSF-UHFFFAOYSA-N 291.318 1.410 0 50 CDAA O=C(O)CC1CCN(C(=O)c2cnn3ccccc23)CC1 224719665 OBENMPYOVLBKSO-UHFFFAOYSA-N 287.319 1.661 0 50 CDAA CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)O 2556730 KMODKKCXWFNEIK-SNVBAGLBSA-N 266.297 1.602 0 50 CDAA in-vitro CC[C@@]1(C(=O)NCc2cccc(-n3cncn3)c2)CCCN1 225612694 TYFPZSWLUQOPQC-INIZCTEOSA-N 299.378 1.416 0 50 CDAA Cc1ccc2c(c1)[C@H](NC(=O)[C@]1(O)CCOC1)CCC2 334126391 PRTGBFVDVVWRLP-ZBFHGGJFSA-N 275.348 1.640 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCNC2=O)C12CCC2 241144915 JUBDEQWJWMADHY-YWPYICTPSA-N 294.395 1.367 0 50 CDAA COc1ccc2c(c1)CN(S(=O)(=O)[C@@H]1CCOC1)CC2 265552702 UACGSJDJLRZLRD-CQSZACIVSA-N 297.376 1.172 0 50 CDAA N#Cc1cn[nH]c(=N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 398353122 GQVJPGUKTDLUDL-QLPKVWCKSA-N 291.358 1.312 0 50 CDAA C[C@H]1CNCCN1C(=O)COc1ccccc1F 125705663 FHBXZYYBDWVEKZ-JTQLQIEISA-N 252.289 1.025 0 50 CDAA C[C@@H]1CN(C2CC(OCc3ccccc3)C2)C[C@H]1C(N)=O 930424575 XSXKYEZBEYZSTC-TWRYWWQQSA-N 288.391 1.787 0 50 CDAA CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@@H](O)C1(C)C 1857780069 GCCLMUDJBQQGFC-KRTXAFLBSA-N 259.302 1.125 0 50 CDAA c1ccc2[nH]c(Cn3cc(CN4CCCC4)nn3)nc2c1 864653657 HMGYOTBFDSKVNB-UHFFFAOYSA-N 282.351 1.799 0 50 CDAA O=C(C1CCC1)N1C[C@@](O)(C(F)(F)F)c2cccnc21 1875286086 LTTPWKNLCDNCDI-LBPRGKRZSA-N 286.253 1.978 0 50 CDAA CCn1nnc(C)c1CS(=O)(=O)Cc1ccccc1F 1875279240 HYMRSOUBJOOXFS-UHFFFAOYSA-N 297.355 1.861 0 50 CDAA Cc1ccc(CN[C@]2(CCO)CCOC2)cc1O 1875284612 BGYQFETXBGXAJS-CQSZACIVSA-N 251.326 1.332 0 50 CDAA Cn1cc([C@H](Nc2cc(=O)n(C)c(O)n2)C(C)(C)C)cn1 1875275698 VRWYPLKGABCJHN-LBPRGKRZSA-N 291.355 1.419 0 50 CDAA CCn1cc(CN(C(=O)/C=C/CN(C)C)C2CC2)c(C)n1 1875374406 ORUBBPYLDWTDJZ-VOTSOKGWSA-N 290.411 1.820 0 50 CDAA Cc1nnc([C@H]2C[C@@H](NS(=O)(=O)[C@@H]3CC34CCC4)C2)o1 1875396994 GRNVVDBYXJFXRS-OUAUKWLOSA-N 297.380 1.486 0 50 CDAA Cc1nc2c(OC[C@H]3C[N@]3CC3CC3)cccc2n(C)c1=O 1875381503 XHYWVZQNXIWVFG-XCLFUZPHSA-N 299.374 1.715 0 50 CDAA CN(Cc1cc(C(=O)O)n[nH]1)C(=O)C1CCCC1 1875320655 JIWUVHRCNSOTKG-UHFFFAOYSA-N 251.286 1.257 0 50 CDAA CCc1ccc(CN2C[C@@H](OC)[C@H](c3cn(C)nn3)C2)o1 886094237 WHXNBNUQSNTPEY-DZGCQCFKSA-N 290.367 1.585 0 50 CDAA CC1(C)CC[C@H](C(=O)N2CC(c3cc(CO)on3)C2)O1 886086729 ZKFDOSUIEKNEIE-GFCCVEGCSA-N 280.324 1.050 0 50 CDAA C[C@@H]1NC(=O)CC[C@@H]1Nc1nccn2c(C3CC3)nnc12 888093451 QEMLDHBEQNILDE-WPRPVWTQSA-N 286.339 1.081 0 50 CDAA Cc1cc(=N[C@@H]2COC[C@@H]2C)nc(-c2ccncc2)[nH]1 895905109 JJPJRSONDAFORG-GXFFZTMASA-N 270.336 1.716 0 50 CDAA C[C@@H](O)C(=O)Nc1cccc([C@@H](O)C(F)(F)F)c1 1776007058 LAXOEKLVFJZXAP-HZGVNTEJSA-N 263.215 1.602 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)Cc1ccc(Cl)cc1 129375565 YXIAPKMJUJIRGB-GFCCVEGCSA-N 297.738 1.585 0 50 CDAA CN1CC[C@@H](CN2CCN(c3ccccc3F)CC2)C1 252488620 IVQLVIVGZQXYNI-CQSZACIVSA-N 277.387 1.899 0 50 CDAA O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cccnc1O 253426883 ZDKGURQGECHXRW-SNVBAGLBSA-N 278.308 1.203 0 50 CDAA CCc1ccnc(C(=O)N[C@@H]2CCC[C@H]2CCO)c1 189104290 VYBUGGGOXDEFEC-QWHCGFSZSA-N 262.353 1.925 0 50 CDAA OC[C@H]1COCCN(c2ncnc3sccc23)C1 77541763 PFOFWGGJGLFGRW-VIFPVBQESA-N 265.338 1.136 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCC(=O)NC1 345333158 VBAZOPUHOJFEIX-YVECIDJPSA-N 264.369 1.692 0 50 CDAA Nc1ncnc(N2CCN([C@@H]3CCSC3)CC2)c1Cl 365498854 RLPFFMFWCXWRJN-SECBINFHSA-N 299.831 1.340 0 50 CDAA Cc1cc(C)nc(NC[C@@H](C(=O)O)C2CCOCC2)n1 863732759 CWFBKIHRAWEYOK-GFCCVEGCSA-N 279.340 1.633 0 50 CDAA Cc1cnc(CCCC(=O)N2CCC[C@@H](CCN)C2)o1 2325795079 BQPRKNWEIOGOHR-ZDUSSCGKSA-N 279.384 1.893 0 50 CDAA CC(=O)NC1CCC(N[C@@H]2CCCCC[C@@H]2CO)CC1 133576852 MNECSVLOXBVPKF-PRLABOORSA-N 282.428 1.965 0 50 CDAA CC1=C[C@H](C)[C@@H](C(=O)O)[C@H](C(=O)N2CCN(C)CC2)C1 118018 WWKUJJPNJHOTEE-YNEHKIRRSA-N 280.368 1.064 0 50 CDAA Cn1c(Nc2cccc(Cl)c2)cc(=O)n(C)c1=O 229388 WIIKGCXKEMFCCE-UHFFFAOYSA-N 265.700 1.481 0 50 CDAA COc1coc(CSC(=S)N(C)C)cc1=O 229979 ZAFZLQBOIMTQRE-UHFFFAOYSA-N 259.352 1.728 0 50 CDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCc1ccco1 398287 RQBGJRBAGUFXTF-GHMZBOCLSA-N 251.282 1.787 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cc(C(F)F)ncn2)C1 911735853 DTWGXZBJRRPBSZ-QMMMGPOBSA-N 270.283 1.238 0 50 CDAA O=S(=O)(O)c1ccc2ccc(S(=O)(=O)O)cc2c1 1700072 VILFVXYKHXVYAB-UHFFFAOYSA-N 288.302 1.333 0 50 CDAA in-vitro CCOc1ccc(N(C)C(=O)[C@H]([C@@H](C)O)N(C)C)cc1 2039713 MCLMACLXARTOSR-RISCZKNCSA-N 280.368 1.359 0 50 CDAA CC(=O)N1CCN(c2ccc(N)cc2C(F)(F)F)CC1 2529158 BLHJDWJKRCLDCC-UHFFFAOYSA-N 287.285 1.956 0 50 CDAA Cc1cc(C)c(-[n+]2cc(=O)o[nH]2)c(Br)c1 2529429 MVEKXEGYULQQFT-UHFFFAOYSA-O 270.106 1.624 0 50 CDAA CC(C)Nc1nc(N2CCOCC2)[nH]c(=S)n1 4866324 XLQVPUNMNADZRI-UHFFFAOYSA-N 255.347 1.191 0 50 CDAA CCCCN1C[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)CC1=O 8270258 KSCKKBHKYKALFG-FRRDWIJNSA-N 282.384 1.271 0 50 CDAA CC[C@H](C)NC[C@H](O)COc1ccccc1OC 8844747 VXJQVAMMFVYRJF-RYUDHWBXSA-N 253.342 1.823 0 50 CDAA CCOC(=O)[C@@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1ccccc12 100033824 RTLLPSILKQLBGZ-MJVIPROJSA-N 292.360 1.493 0 50 CDAA COc1cccc(C[C@@H](C)NCCc2cn(C)cn2)n1 459652010 BPHRIDWTKQLREZ-GFCCVEGCSA-N 274.368 1.587 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccnn2)C1 225522474 QHBNPUYBQJOZFN-GFCCVEGCSA-N 278.356 1.576 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccccn2)[C@H]2C=C[C@H]1C2 100617281 XQNAZWMFMIRORX-UKJIMTQDSA-N 272.304 1.221 0 50 CDAA N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 9361223 ODNKLORLNFNXAP-VHSXEESVSA-N 268.363 1.340 0 50 CDAA CCOC(=O)c1cn2c(Br)cncc2n1 26189699 SHEPHIOFWBYNCL-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCOCCC(N)=O)C2 100815296 RHARSJMMEXQLKV-MKBNYLNASA-N 296.411 1.600 0 50 CDAA CN(C)Cc1cccc(C(=O)N2CCCOCC2)c1 20454172 ORXCVCQATGWKOP-UHFFFAOYSA-N 262.353 1.611 0 50 CDAA CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]2CCS(=O)(=O)C2)C1(C)C 248149504 AUYUUROFVOXCJX-JHJVBQTASA-N 299.436 1.776 0 50 CDAA Cn1ncc2c(N3CCN4CCCC[C@H]4C3)ncnc21 248749738 GKMBZMJWCYLGJD-NSHDSACASA-N 272.356 1.038 0 50 CDAA O=c1[nH]c(CCN[C@H]2CCSC2)nc2ccccc12 65371445 ZKKUWLNLEWZHPN-JTQLQIEISA-N 275.377 1.561 0 50 CDAA CCC(=O)N[C@@H](C)C(=O)Nc1cnc2n1CCCC2 67909662 NKPPDICEQLTFBV-VIFPVBQESA-N 264.329 1.073 0 50 CDAA Cc1ccc(N2CCC(N3CCC[C@H](O)C3)CC2)nn1 32603569 HZUXOEJABVGSHK-AWEZNQCLSA-N 276.384 1.211 0 50 CDAA NCCCCn1cc(C(=O)NCCCC2CCCC2)nn1 423001977 XXPOAEXRUIEJIY-UHFFFAOYSA-N 293.415 1.717 0 50 CDAA Cc1cc(C)c(C(=O)N[C@H](CC(C)C)C(=O)O)[nH]1 328596484 VNRFWUWWGPXSTD-SNVBAGLBSA-N 252.314 1.861 0 50 CDAA CCCc1nnc(C(=O)N(C)Cc2cnccn2)o1 71765216 RSYJVAGXKPJSLF-UHFFFAOYSA-N 261.285 1.084 0 50 CDAA C[C@H]1COc2ccccc2CN1CC1(CO)COC1 361019559 UQXFJBCQRMFRII-LBPRGKRZSA-N 263.337 1.278 0 50 CDAA CC(C)CCC[C@H]1CN(S(=O)(=O)N(C)C)CCO1 39552333 WTJJUHLFEOVFRC-LBPRGKRZSA-N 278.418 1.320 0 50 CDAA C[C@H]1CN(C(=O)CCOCC(F)(F)F)C[C@H](C)N1 153798302 JPHOYBNFAWCLME-IUCAKERBSA-N 268.279 1.164 0 50 CDAA COc1ccnc(C(=O)N[C@@H](C)Cc2cnccn2)c1 219329632 KHJCJFQBODANLH-JTQLQIEISA-N 272.308 1.241 0 50 CDAA O=C([C@H](O)C1CCCCC1)N1[C@H]2CC[C@H]1[C@@H](CO)C2 366255630 FLAQMDYFJSMQFI-ZOBORPQBSA-N 267.369 1.299 0 50 CDAA O[C@@H]1CC[C@H](NC2CCN(Cc3cccnc3)CC2)C1 367685971 IEBVKHKJFIOTHR-JKSUJKDBSA-N 275.396 1.549 0 50 CDAA C[C@@H]1COCCN1C(=O)c1cnn(-c2cccnc2)c1 329871089 CEDGBYVRMLFDMD-LLVKDONJSA-N 272.308 1.128 0 50 CDAA O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cncc(F)c1 330316181 PWJQAFRCZRDJOE-OLZOCXBDSA-N 292.310 1.431 0 50 CDAA COCC(C)(C)C(=O)Nc1ccc(Cc2nnn[nH]2)cc1 156841658 HOVFHDPTKIMXFN-UHFFFAOYSA-N 289.339 1.402 0 50 CDAA Cc1ccc(/C=C/C(=O)N2CCO[C@@H](CN)C2)cc1Cl 370417709 ALYFHXYFSCQFNK-IHVVCDCBSA-N 294.782 1.848 0 50 CDAA COc1ccccc1CC(=O)NCC[C@@H]1CCOC1 219625180 BKSDZXZXQZKVFD-GFCCVEGCSA-N 263.337 1.781 0 50 CDAA CCN(C)C[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3n2)C1 331873282 KSKHBURJZJGTCY-LBPRGKRZSA-N 286.379 1.977 0 50 CDAA CC(C)OC[C@H](O)CN1C[C@@H](C)O[C@@]2(CCCOC2)C1 376129392 IFSLIHRACPDKFF-KFWWJZLASA-N 287.400 1.042 0 50 CDAA Cn1cncc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 236072844 OEHNSYYUQRIITB-DCAQKATOSA-N 277.324 1.278 0 50 CDAA CC1=C[C@@H](C)CN(S(=O)(=O)c2ccn(C)n2)C1 335379163 JZPSLHVCTIIEOB-SECBINFHSA-N 255.343 1.007 0 50 CDAA CCc1nc([C@@H](C)NC(=O)[C@H]2CCNC2)cs1 237061055 RPCANYUWPXKLTN-BDAKNGLRSA-N 253.371 1.492 0 50 CDAA CCCc1cc(C(=O)N2CCSCC2)n(C)n1 77472574 RJALUHBYVDZIGW-UHFFFAOYSA-N 253.371 1.562 0 50 CDAA CN(C)Cc1ccc(CNC(=O)c2cn[nH]c2)cc1 192751912 VMQGAZPQUHXQGO-UHFFFAOYSA-N 258.325 1.401 0 50 CDAA CCOC1(C(=O)NC[C@H]2CCC[C@H]2O)CCCC1 241144900 JTZTVZLCYROJJM-VXGBXAGGSA-N 255.358 1.613 0 50 CDAA C=C=CCNS(=O)(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 1365718304 VITAVRSVQLSQHZ-DTWKUNHWSA-N 285.287 1.357 0 50 CDAA CCCCc1ccc(NC(=O)N[C@H]2CNCC[C@H]2O)cc1 426669145 QLGZAXWNZHQWRZ-LSDHHAIUSA-N 291.395 1.874 0 50 CDAA Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@H](C)C(=O)O 263579346 UOFZVWZOXRIMSU-MRVPVSSYSA-N 289.291 1.590 0 50 CDAA CCN(CC(F)(F)F)C(=O)NCCc1cn[nH]c1 426689124 HHNOQRKTBLIPRM-UHFFFAOYSA-N 264.251 1.546 0 50 CDAA CCN(CCN(C)C)C(=O)NCCSc1nccn1C 426382691 LQXJPGDHWCLQQE-UHFFFAOYSA-N 299.444 1.105 0 50 CDAA CCC[C@H](NC(=O)C(C)(C)NC(C)=O)c1nccn1C 426599780 SAANVPZFTURKKW-NSHDSACASA-N 280.372 1.292 0 50 CDAA CC1(C(=O)NC[C@@H](CO)Cc2cccs2)CCNCC1 96141026 BBGZQYHVODLKDW-LBPRGKRZSA-N 296.436 1.405 0 50 CDAA CCN(C/C=C/c1ccc(F)cc1)[C@H]1COC[C@@H]1O 97572319 FMVOHJKCTGJNAF-WCYDHSITSA-N 265.328 1.921 0 50 CDAA CCOCCN(C)C(=O)NCc1cccc(C(=O)NC)c1 93366068 GGSBRCCICVTPRB-UHFFFAOYSA-N 293.367 1.224 0 50 CDAA 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287.425 1.910 0 50 CDAA CC(C)(CO)NCC(=O)Nc1ccc(Cl)cn1 4867457 OEDNACQYZZOELC-UHFFFAOYSA-N 257.721 1.034 0 50 CDAA CC(C)(CNC(=O)c1ncccc1O)c1cccnc1 412886193 OJQMBKNHNNTPPU-UHFFFAOYSA-N 271.320 1.890 0 50 CDAA CC1CCC(NC(=O)CN2C[C@@H](C(N)=O)CC[C@H]2C)CC1 245833266 BHLLDWWRNAHJDI-DKNRTOFZSA-N 295.427 1.267 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1C1CCN(C(C)=O)CC1 65409492 AMPAXBYDEWVVFD-HNNXBMFYSA-N 295.427 1.330 0 50 CDAA Cc1ccc(N2C(=O)C[C@@H](N3CCSCC3)C2=O)cc1 100778496 PKCUOQRLLLRDJN-CYBMUJFWSA-N 290.388 1.676 0 50 CDAA COc1ccc(CN(CC(C)C)C(=O)CNC(C)=O)cc1 55393181 BPYLSMLWUSJYCY-UHFFFAOYSA-N 292.379 1.816 0 50 CDAA CC[C@H](CO)N1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 247853798 XIIZVMWTCZSXIW-DJIMGWMZSA-N 290.407 1.033 0 50 CDAA CCc1nc(C)c(C(=O)N[C@H](C)c2n[nH]c(C)n2)o1 67673754 OFBGYJNLPVQJGB-SSDOTTSWSA-N 263.301 1.463 0 50 CDAA C[C@H](N)C(=O)NCc1cccnc1N(C)Cc1ccccc1 67967033 YPJRMXOVRBZFLQ-ZDUSSCGKSA-N 298.390 1.681 0 50 CDAA CCCc1cc(C(=O)NCc2ccc(O)nc2)[nH]n1 118695881 HOFHXTWEDIGZSD-UHFFFAOYSA-N 260.297 1.393 0 50 CDAA Cc1nc2cc(C(=O)N3[C@H]4CC[C@@H]3CCNC4)ccc2[nH]1 67947972 LJLCTSCVMSUVFG-OLZOCXBDSA-N 284.363 1.838 0 50 CDAA CCC(CC)(OC)c1noc(C2CN(C(C)=O)C2)n1 350412215 DPBYZZJKDJEYMX-UHFFFAOYSA-N 267.329 1.677 0 50 CDAA Cc1cn(C)nc1CN[C@@H](C(N)=O)c1ccc(F)cc1 1364601476 BMOOULPYRLQVEL-CYBMUJFWSA-N 276.315 1.184 0 50 CDAA C[C@@H]1CCCN([C@H](C)CNC(=O)[C@@H](C)n2cncn2)C1 229381272 MLRKAFFEDNURRX-JHJVBQTASA-N 279.388 1.076 0 50 CDAA CCN1CCN(C(=O)C[C@H](C)SC)C[C@@H]1c1ncc[nH]1 328633612 SQHHAJPEBVPHEG-NWDGAFQWSA-N 296.440 1.757 0 50 CDAA CN(C)C[C@H]1CN(c2ccnc(C3CC3)n2)CCO1 171938982 QMAPMYGJIHGJJU-LBPRGKRZSA-N 262.357 1.121 0 50 CDAA CC(C)(CN1CCC(c2ncn[nH]2)CC1)N1CCOCC1 215309777 VNCODPDTEZRBHG-UHFFFAOYSA-N 293.415 1.095 0 50 CDAA CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(N)=O)c1 33359691 OLQZYKIRWXXKEY-ZETCQYMHSA-N 290.772 1.516 0 50 CDAA O=C(O)CN(C(=O)/C=C/c1ccccn1)C1CCOCC1 238106866 VOPXMPVFKKMPGI-SNAWJCMRSA-N 290.319 1.187 0 50 CDAA O=C(O)c1ccccc1-c1nccc(N2CCC[C@H](O)C2)n1 216046494 FCVVDESQRUUFSS-NSHDSACASA-N 299.330 1.803 0 50 CDAA O=C(c1ccncc1)N1CC[C@@H](NCc2cc[nH]c2)C1 363858463 MINYDNMNONSYOT-CQSZACIVSA-N 270.336 1.414 0 50 CDAA CC(=O)NCC1CCN(C(=O)[C@@H](C)c2ccccn2)CC1 330457696 OVBSWDRUWPNHPH-LBPRGKRZSA-N 289.379 1.560 0 50 CDAA CCc1ccccc1OCCN1CCN(CC)C(=O)C1=O 33359712 LNHSCHAHGQKCHQ-UHFFFAOYSA-N 290.363 1.319 0 50 CDAA CCN(C)C(=O)Cn1cnc2c(c1=O)CC(C)(C)CC2 335448533 BRTCGQUQLOFTAJ-UHFFFAOYSA-N 277.368 1.237 0 50 CDAA O=C(NC[C@H]1CCCC[C@H]1O)c1cccnc1S 155797961 LJNGCVXUBJMLFX-MWLCHTKSSA-N 266.366 1.651 0 50 CDAA Cn1nnc(-c2ccc(-n3ccnc3[C@@H]3CCOC3)cc2)n1 77407016 HUFPWLXJWNSXKX-GFCCVEGCSA-N 296.334 1.567 0 50 CDAA CN(c1cc(Cl)nc(N)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 156744570 NLGAJRBRXYEZKY-ONOSFVFSSA-N 282.775 1.962 0 50 CDAA COc1ccc(SCCNC[C@]2(O)CCNC2)cc1 77406182 LRUSDYBCFOTZIO-AWEZNQCLSA-N 282.409 1.101 0 50 CDAA Cn1cnc(C(=O)N2CCC[C@H]2c2cccnc2)c1 336130456 YGESXMASSRNZCR-ZDUSSCGKSA-N 256.309 1.792 0 50 CDAA CC[C@@H](C(=O)Nc1c2c(nn1C)CCC2)N1CCCC1=O 333145252 LREUVGYRQLYVHB-LBPRGKRZSA-N 290.367 1.248 0 50 CDAA CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC12CCCC2 336275021 SQDRLORTVHWCOW-GHMZBOCLSA-N 268.382 1.357 0 50 CDAA C[C@H]1CC[C@@H](CCC(=O)N2[C@H]3CCNC[C@H]2CC3)O1 262162958 BJLBXEZDWVWFCI-DGAVXFQQSA-N 266.385 1.687 0 50 CDAA O=S(=O)(Cc1ccc(OC(F)F)cc1)c1ncc[nH]1 172881920 HAABCSNANOJGLX-UHFFFAOYSA-N 288.275 1.985 0 50 CDAA COC(=O)[C@H](CCNCc1ccccc1)[C@H](C)O 43214665 JGNJXWYXCHOBBP-WCQYABFASA-N 251.326 1.336 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)Cc2cc(F)ccc2F)C1 237957659 ZXGOWHBLYVRMJN-QMMMGPOBSA-N 269.247 1.440 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(F)cc1 237954029 BFYJDPYFKKJGBJ-PWSUYJOCSA-N 281.283 1.494 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C(=O)O)c2ccccc21 285245539 ZDHFFWKCNCROGG-GFCCVEGCSA-N 299.330 1.866 0 50 CDAA Cc1ccc(-c2noc(Cc3cccnc3)n2)nn1 82086562 TXQXWUAEKXGPDO-UHFFFAOYSA-N 253.265 1.821 0 50 CDAA CN1C(=O)C[C@@H](CNC(=O)c2cnc[nH]2)c2ccccc21 220132568 DITPIDQWPDBZHQ-JTQLQIEISA-N 284.319 1.290 0 50 CDAA CCN(Cc1nccn1C)C(=O)c1cccc(C)n1 222371385 LSNNGZOKXIJVBQ-UHFFFAOYSA-N 258.325 1.786 0 50 CDAA O=C(O)c1cccn2c(NC(=O)C3CCC3)nnc12 40450023 SXGMAVASVGAEPS-UHFFFAOYSA-N 260.253 1.166 0 50 CDAA C[C@@H](CNC(=O)c1ccn(C(F)F)n1)Oc1cccnc1 220152506 XRKRULUNEJRBOV-VIFPVBQESA-N 296.277 1.871 0 50 CDAA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 229784364 MAMNVAAOHPHSIX-GANFFNEQSA-N 283.327 1.905 0 50 CDAA C[C@@H]1CCCCN1C1CN(C(=O)Cc2cccnc2)C1 82166357 OFNBLDDLZDSUFF-CYBMUJFWSA-N 273.380 1.709 0 50 CDAA CC(C)(C)c1nsc(NC[C@@](C)(O)C(=O)O)n1 263560191 QXRMWWJANQSUNH-SNVBAGLBSA-N 259.331 1.083 0 50 CDAA CC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(C)cc1F 220075114 RYRMURLLNAFTPC-ZDUSSCGKSA-N 278.327 1.827 0 50 CDAA CCCN1CC[C@H](CNC(=O)Cc2cc(C)no2)C1 220214755 BKFVBIHLVPPCKN-GFCCVEGCSA-N 265.357 1.374 0 50 CDAA O=C(N[C@H]1CCNC1=O)c1ccc(Oc2ccccc2)o1 220582421 CCRMIDFMDNQMTR-NSHDSACASA-N 286.287 1.690 0 50 CDAA CN1CCC2(CC1)CCN(C(=O)Cc1cncs1)C2 614965451 XCXLHXRYXIEEAX-UHFFFAOYSA-N 279.409 1.630 0 50 CDAA NC[C@H]1CCN(C(=O)c2c(Cl)nc3ccccn23)C1 178550630 GIWNDXNAZFIEFC-SECBINFHSA-N 278.743 1.409 0 50 CDAA CCCC[C@H](CC(=O)O)NC(=O)c1cc(=O)cc(C)[nH]1 426640560 UZXSZGPDBLLKOJ-SNVBAGLBSA-N 280.324 1.447 0 50 CDAA O=C(NCc1cccc(C(F)(F)F)c1)N1CC(O)C1 426386924 POMRHYUXDZXYOW-UHFFFAOYSA-N 274.242 1.592 0 50 CDAA COC(=O)c1cc(N2CCN(C)CC2)ccc1Cl 96027750 LUYLXNKQDPBHNQ-UHFFFAOYSA-N 268.744 1.878 0 50 CDAA CCOCc1nc(Cc2ccc3c(c2)OCO3)n(C)n1 95363541 RWAKDWCBPPEDMS-UHFFFAOYSA-N 275.308 1.671 0 50 CDAA Cc1[nH]c2c(C(=O)N3CCOC[C@@H](O)C3)cccc2c1C 96153906 XQFOHAROVYKCTH-LBPRGKRZSA-N 288.347 1.618 0 50 CDAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@]2(CCOC2)C1 95374659 RIVQEWOXYKFORM-OAHLLOKOSA-N 286.335 1.601 0 50 CDAA Cc1cc(Br)c(F)cc1S(N)(=O)=O 36533110 XKFVZKPDXJZGHZ-UHFFFAOYSA-N 268.107 1.544 0 50 CDAA in-vitro CCn1nncc1C(=O)N1C[C@@H](CO)c2ccccc21 293766511 AEWHHIFRHRNSJQ-JTQLQIEISA-N 272.308 1.034 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(Cc3noc(C4CCCC4)n3)C[C@H]21 534647986 QZLAZSZEHCBYRL-IAZYJMLFSA-N 277.324 1.490 0 50 CDAA CCCc1nnsc1C(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1 91932200 QONWUIFSDJESKR-OTYXRUKQSA-N 295.408 1.724 0 50 CDAA COc1ccc(F)cc1C(=O)N1CC[C@H](C(=O)O)C1 237168797 WTEWMAIMWXWXDZ-QMMMGPOBSA-N 267.256 1.381 0 50 CDAA O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCCC1 238901719 MFPFGFZVIQMIMG-HAQNSBGRSA-N 263.345 1.102 0 50 CDAA O=C(NC1CCN(c2ccccc2F)CC1)[C@H]1CCOC1 244608577 FEXRNSUIHGOJJQ-LBPRGKRZSA-N 292.354 1.947 0 50 CDAA CCC1(C(=O)N2CCO[C@@H](CNC(C)=O)C2)CCCCC1 184117748 QIZJSRRVRZXHJG-AWEZNQCLSA-N 296.411 1.710 0 50 CDAA O=C(O)c1cccc(CN2CCC[C@H]2Cn2cccn2)n1 534592215 QPXJSXNCZWOVMS-ZDUSSCGKSA-N 286.335 1.641 0 50 CDAA Cc1ncc(CN2CCN(Cc3cccc(O)c3)CC2)cn1 351872622 FFKNWJSCHSESEK-UHFFFAOYSA-N 298.390 1.808 0 50 CDAA [C-]#[N+][C@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 207621673 BKIKQJPOJKHOPE-DTWKUNHWSA-N 254.286 1.457 0 50 CDAA Cc1nn(CCNC(=O)CCCn2cccn2)c(C)c1C 299761845 ZJOYBZLVQPMSAI-UHFFFAOYSA-N 289.383 1.601 0 50 CDAA CCCCS(=O)(=O)NCCn1cnc(C)c1C 822880398 GSUZVIGSABQWHJ-UHFFFAOYSA-N 259.375 1.219 0 50 CDAA C[C@@H](Cn1cncn1)c1ncnn1CC(F)(F)F 822280224 PPSIGMKWTIXJQN-ZETCQYMHSA-N 260.223 1.236 0 50 CDAA COc1cccc2c(=O)n(CCn3ccnc3)cnc12 584902508 PPBBKZBXSHLAIP-UHFFFAOYSA-N 270.292 1.302 0 50 CDAA CC/C=C/CC(=O)N[C@@H](C(=O)NC)c1ccccc1 584895982 MPUWRCVHEQNBRX-YVARQFDVSA-N 260.337 1.946 0 50 CDAA CCN(C(=O)c1cnc(C)nc1C)[C@H](C)C(=O)O 663123288 BJLVQFYVOYFHLJ-MRVPVSSYSA-N 251.286 1.029 0 50 CDAA CC[C@@H](NC(=O)Cc1ccncc1)c1ncc(C)[nH]1 670445945 YNEKUZVBHPVNFQ-GFCCVEGCSA-N 258.325 1.923 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cccc(-c3ncc[nH]3)c2)n[nH]1 670469218 UEHYZTZLTJEXJG-SECBINFHSA-N 296.334 1.994 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)NCCc1cccc(F)c1)C2 1553419889 LIMSNOLSZJISQT-WFASDCNBSA-N 277.343 1.501 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1COC2(CCNCC2)C1 72362062 ACUKKOFVWISMOI-SNVBAGLBSA-N 256.346 1.422 0 50 CDAA in-vitro CC1=CC[C@H]2CN(Cc3nc(O)c4cnn(C)c4n3)C[C@H]2C1 1565526386 LCESCXVEIPSJBG-NWDGAFQWSA-N 299.378 1.857 0 50 CDAA CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 218006591 XBRVSWLNYZFLOZ-DTWKUNHWSA-N 259.302 1.343 0 50 CDAA CC(C)CO[C@H]1CCN(c2nccn3cnnc23)C1 268239671 CVYPCACAHWQHHW-NSHDSACASA-N 261.329 1.376 0 50 CDAA NC(=O)[C@@H]1CCO[C@H]1c1nccn1-c1ccccc1 408473472 KFQLHHDTAVSGJP-VXGBXAGGSA-N 257.293 1.435 0 50 CDAA Cc1nsc(N2CCCC[C@H]2c2nc(O)n[nH]2)n1 408524211 REFDUKCHDUBRLC-ZETCQYMHSA-N 266.330 1.402 0 50 CDAA O=C(NCc1cc(O)nc2ccccc12)[C@H]1C[C@H]1C(=O)O 268935642 FYMOTDYCQVWVDG-WDEREUQCSA-N 286.287 1.277 0 50 CDAA CCn1ccc(NC(=O)[C@@H]2NCCOc3ccccc32)n1 1578353575 LRPOUPYFEMGBEI-CQSZACIVSA-N 286.335 1.565 0 50 CDAA CCC(=O)N1CC[C@@H](N=c2nc(C(F)(F)F)[nH]s2)C1 548746210 HLTKZIHSCNXDBL-ZCFIWIBFSA-N 294.302 1.402 0 50 CDAA COc1cccc(CN(C)C(=O)[C@@H]2CCN(C)C2=O)c1 170598650 YMADEQMSKRIGGH-CYBMUJFWSA-N 276.336 1.132 0 50 CDAA CN(Cc1nc(C(C)(C)C)no1)C1(CO)CCOCC1 170612024 RCKUXPONXHLWLA-UHFFFAOYSA-N 283.372 1.340 0 50 CDAA Cn1cnc(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)n1 575223688 DLOWZXDERYDNKM-CYBMUJFWSA-N 299.378 1.462 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NC(=O)Cc2ccsc2)C1(C)C 188883356 GHHNSXAPEHRVCC-DOMZBBRYSA-N 297.420 1.973 0 50 CDAA O=C([C@@H]1CCCCN1)N1CCc2c(O)cccc2C1 638699928 YJJSMOIJNUEVLL-ZDUSSCGKSA-N 260.337 1.419 0 50 CDAA C[C@H](CC(N)=O)NC(=O)Nc1ccc(C(F)(F)F)cn1 639942631 KCYJUGMMMBXLPI-ZCFIWIBFSA-N 290.245 1.486 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2nc(C)cc(C)n2)C1 643745202 XHFXHPSGUZTTMM-NEPJUHHUSA-N 273.340 1.783 0 50 CDAA O=C(CN1CCCC[C@H](O)C1=O)NCC1(C2CC2)CCC1 644408584 UHCNSJBEFYAEDG-ZDUSSCGKSA-N 294.395 1.056 0 50 CDAA CC(C)c1nsc(N[C@H]2C(=O)NCC[C@H]2C)n1 193531465 NUGOTVTWIKWQKG-HTQZYQBOSA-N 254.359 1.598 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(CC(C)(C)c2ccccc2)C1 583617598 IVDROHPFHJCQRY-KBPBESRZSA-N 276.380 1.539 0 50 CDAA COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](C)CSC 565741614 AHYISPNDHQCHJT-ZYHUDNBSSA-N 296.392 1.281 0 50 CDAA CC[C@H]1CN(C(=O)C2(C(=O)O)CC2)CCN1CC(F)F 570635438 HARGNLDYSIUILE-VIFPVBQESA-N 290.310 1.039 0 50 CDAA Cc1ccc(-c2noc(C[C@H]3CC(=O)NC3=O)n2)cc1F 1615001863 DHULIGSECDFWKC-SECBINFHSA-N 289.266 1.389 0 50 CDAA Cc1nocc1CNC(=O)[C@H]1NCCOc2ccccc21 1615551268 AOQCKJYCQOKASG-AWEZNQCLSA-N 287.319 1.323 0 50 CDAA C[C@H]1CCN(C(=O)[C@]2(O)C[C@H]3CC[C@H]2C3)CCS1 1615586443 ODCHPEQVUDPLMB-MNXVOIDGSA-N 269.410 1.892 0 50 CDAA COCCN(CCOC)C(=O)Nc1cccc(NC=O)c1 1616034577 PFWSLPLZGCNKEP-UHFFFAOYSA-N 295.339 1.382 0 50 CDAA Cc1nc(C)c(C(=O)N2CCC[C@@H]2C2(O)CC2)s1 1772813570 IBGFFFOCVFKMGV-SNVBAGLBSA-N 266.366 1.889 0 50 CDAA COc1ccc(OC)c(Cn2nnnc2N(C)C2CC2)c1 1647415821 QYBGGLGLRJIQDP-UHFFFAOYSA-N 289.339 1.337 0 50 CDAA COc1cccc(C(=O)NC2(C(=O)O)CC2)c1OC 203652145 WIFHONDVHYBDHF-UHFFFAOYSA-N 265.265 1.051 0 50 CDAA CCn1ccc(CN(C)C[C@@H]2CCN(CCOC)C2)n1 1506403308 SXSBQZYENAOLLB-AWEZNQCLSA-N 280.416 1.303 0 50 CDAA OC[C@@H](CNC1CSCCSC1)Cc1ccco1 1506410489 UHSTXQCQJJVGMS-LLVKDONJSA-N 287.450 1.869 0 50 CDAA Cc1nncn1CCN1CCN(CCc2ccccc2)CC1 1506397904 GJKLQKARJDHDDK-UHFFFAOYSA-N 299.422 1.447 0 50 CDAA CCN1CCC[C@@]2(CCCN(CCC(=O)O)C2)C1 1529151345 BODNHLYSZBXAHW-CQSZACIVSA-N 254.374 1.659 0 50 CDAA CN1CCN(CCn2ccnc2-c2cnsc2)C1=O 1857694449 CCDQLAFCMFHKOB-UHFFFAOYSA-N 277.353 1.374 0 50 CDAA c1ccc(C[C@H]2Cc3nnc(Cn4ccnc4)n3C2)cc1 1800411137 GSTBACXZPTWFFK-AWEZNQCLSA-N 279.347 1.938 0 50 CDAA CC(C)Cc1cc(C(=O)N[C@H]2CC[C@H](N)C2)n(C)n1 216751078 HLYNXBZRBLUIQU-QWRGUYRKSA-N 264.373 1.228 0 50 CDAA CN(CC(N)=O)C(=O)c1cccc(NCC2CC2)c1 239667851 BRSAVZDOAUWJLW-UHFFFAOYSA-N 261.325 1.066 0 50 CDAA CN(C[C@H]1Cc2ccccc2CN1C)c1nnc(CN)o1 1772704025 BFWXLYALUXCVHE-CYBMUJFWSA-N 287.367 1.021 0 50 CDAA Cc1nc(Cc2ccc3c(c2)OCO3)n(-c2ccnn2C)n1 1775982490 WFLZSNXDHJGJEL-UHFFFAOYSA-N 297.318 1.629 0 50 CDAA O=S1(=O)CCC(Nc2ncncc2Cl)CC1 163587096 VCQYMKAITHHZJI-UHFFFAOYSA-N 261.734 1.119 0 50 CDAA CCOc1ccccc1C(=O)N1CCCN(C)CC1 6699115 JFUOUNYILIJQCM-UHFFFAOYSA-N 262.353 1.863 0 50 CDAA C[C@H]1CN(c2n[nH]c(=N)s2)CCN1c1ccc(F)cn1 1857681441 FGGYLUBCRHOMAV-QMMMGPOBSA-N 294.359 1.200 0 50 CDAA CN1C[C@@H](O)[C@H](n2ccnc2-c2ccc3cccnc3c2)C1 1857687150 OQOQFOTVVZHCLZ-HZPDHXFCSA-N 294.358 1.946 0 50 CDAA Cc1c(F)cccc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 643370322 IWFFWIXKXNBWRY-ZKYQVNSYSA-N 290.338 1.860 0 50 CDAA Nc1nccnc1C(=O)N1CCCc2cc(F)ccc21 225389475 UIPIWCUOKHYJNG-UHFFFAOYSA-N 272.283 1.791 0 50 CDAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(C(=O)O)cc1 236771116 XITQHFGKTUHWBT-XQQFMLRXSA-N 289.331 1.928 0 50 CDAA CO[C@@]1(C)C[C@H](NC(=O)c2ccc(C(=O)O)o2)C1(C)C 237160899 BVCGYUQPCXSFTA-HZMBPMFUSA-N 281.308 1.911 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)Cc1c(F)cccc1F 129367514 RQERKLHOFKOZBE-VIFPVBQESA-N 299.273 1.209 0 50 CDAA Cc1cc(CCNC(=O)N2CCCO[C@H](C(C)C)C2)on1 563063425 UIONWSXAPNWOTN-AWEZNQCLSA-N 295.383 1.982 0 50 CDAA Cc1cc(C(=O)N(C)Cc2ccc(C(=O)O)cc2)nn1C 261595059 DIQWQRWKCPKAOD-UHFFFAOYSA-N 287.319 1.699 0 50 CDAA Cc1ncc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)O)c(C)n1 262946208 KZBGTZDOSSPYJJ-DMDPSCGWSA-N 289.335 1.419 0 50 CDAA CCc1noc(COC2CN(C[C@@H]3CCC=CO3)C2)n1 818268397 FVMXINXRLATSAJ-NSHDSACASA-N 279.340 1.526 0 50 CDAA 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Cc1ccc(-c2cncc(C(=O)NS(C)(=O)=O)c2)cc1 1875391296 SGVLWXVPNDUAJC-UHFFFAOYSA-N 290.344 1.746 0 50 CDAA Cc1nnc(CN2CCOC[C@@H]2c2cccn2C)o1 162461662 WZZVHNKZEGTGMM-GFCCVEGCSA-N 262.313 1.290 0 50 CDAA Cc1nn(C)c(C(=O)NCc2[nH]nc3ncccc23)c1C 1772811771 YTNJWVMANJDDJL-UHFFFAOYSA-N 284.323 1.238 0 50 CDAA COc1ccc(Cl)cc1C(=O)NC[C@H]1CNCCO1 134253349 ZPJLIEQKTFJCRW-SNVBAGLBSA-N 284.743 1.067 0 50 CDAA Cc1ccc(O)c(CNCCC(=O)N2CCCCC2)n1 134578786 CAHQBHGDUKHVAO-UHFFFAOYSA-N 277.368 1.588 0 50 CDAA O[C@@H]1CCCN(c2ncccc2CNCc2ccco2)C1 14959788 IACHBIDFTDFUJT-CQSZACIVSA-N 287.363 1.926 0 50 CDAA Cn1ncc(NC(=O)c2ccc3ncccc3c2)n1 19795049 IFFOIEQQYNTXMD-UHFFFAOYSA-N 253.265 1.616 0 50 CDAA CCN(CCCN1CCOCC1)C(=O)c1cnn(CC)c1 19838568 VLNGIDVNQZNWTK-UHFFFAOYSA-N 294.399 1.087 0 50 CDAA O=S(=O)(N[C@H]1CC12CCCCC2)c1cnc2n1CCC2 330021216 XMEHSUSRLUFUJD-NSHDSACASA-N 295.408 1.830 0 50 CDAA CNCCCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 237125818 RQXOPNJHHWUJCL-SOUVJXGZSA-N 297.443 1.086 0 50 CDAA COC(=O)CCN(CCC(=O)OC)Cc1ccccc1 1685520 KPRYGTMLHJYBFC-UHFFFAOYSA-N 279.336 1.615 0 50 CDAA in-vitro Cc1cccc([C@@H]2CCCN2C(=O)CCc2nn[nH]n2)c1 630795050 CEVZTVIKVVCBGC-ZDUSSCGKSA-N 285.351 1.804 0 50 CDAA O=C(O)[C@H]1CCN(c2ccccc2Br)C1=O 11891054 KHXLOSLERFFIRI-ZETCQYMHSA-N 284.109 1.887 0 50 CDAA in-vitro CCOC[C@H]1CCCCN1C(=O)COCc1ccnn1C 458096151 RZVXCBXRNQXXKZ-CQSZACIVSA-N 295.383 1.354 0 50 CDAA Cn1cnc2c1CCN(C(=O)c1cccc(CO)c1)C2 365876582 DAYVNBTZMJVXQK-UHFFFAOYSA-N 271.320 1.111 0 50 CDAA C[C@]1(CNC[C@@H](O)c2cccnc2)CCO[C@H]1C1CC1 819231939 FZEGCIHRBUQYBG-OWCLPIDISA-N 276.380 1.910 0 50 CDAA C[C@H](NC(=O)[C@@H]1CCC(=O)C1)C(=O)OCc1ccccc1 848254562 MVMXBDSLVJXZEZ-WCQYABFASA-N 289.331 1.604 0 50 CDAA CC(C)OCCC(=O)N1CC[C@H](c2n[nH]cc2N)C1 864381297 XGWCCDLOVJAQFK-JTQLQIEISA-N 266.345 1.123 0 50 CDAA CN(C[C@H]1OCC[C@H]1c1nc[nH]n1)C(=O)CC(F)(F)F 952887563 ADEOGLOXFOMTMC-HTQZYQBOSA-N 292.261 1.088 0 50 CDAA Cc1nc(CNC(=O)[C@]23CCCC[C@H]2OCC3)co1 1875274712 UABRUNFEDVVNNS-OCCSQVGLSA-N 264.325 1.949 0 50 CDAA COCc1ncc(-c2ccc3c(c2)COCCN3)c(O)n1 1875291766 KZVNLOHHEYWMLJ-UHFFFAOYSA-N 287.319 1.938 0 50 CDAA CCc1ncnc(NC2CN(c3ccccn3)C2)c1F 1875294951 PWSJSQKHGCHJLL-UHFFFAOYSA-N 273.315 1.874 0 50 CDAA O[C@@H]1CCCN(c2cc(-c3noc(C4CC4)n3)ccn2)C1 1875286500 URUPQRFNWLNTTD-GFCCVEGCSA-N 286.335 1.970 0 50 CDAA C[C@H]1CN(c2ccc(F)cn2)CCN1C(=O)C1CC1 1875313941 YZGICHDWGKKNGR-JTQLQIEISA-N 263.316 1.668 0 50 CDAA CC(=O)N1CCn2c(C(=O)NC(C)C)ccc2[C@@H]1C 1875321302 CKLHEOVKMNWHBK-JTQLQIEISA-N 263.341 1.549 0 50 CDAA CN1CCc2[nH]nc(C(=O)N3Cc4ccccc4C3)c2C1 1875329166 IECOGZPWABIBLD-UHFFFAOYSA-N 282.347 1.554 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C(C)(C)O)C3)n[nH]c21 1875393310 DKRYXJAUWIIDDK-BDAKNGLRSA-N 293.367 1.275 0 50 CDAA Cc1nc(NC[C@H]2CC(=O)N(C)C2)cc(-c2ccccn2)n1 1168721615 FXFWCZGAUQTKBZ-GFCCVEGCSA-N 297.362 1.737 0 50 CDAA CCn1c(C)nnc1CN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 888079266 PYVVFYXEPRXNDN-VXGBXAGGSA-N 290.371 1.292 0 50 CDAA C[C@@H]1CN(c2cccc(F)c2C(N)=O)CCCO1 892296394 SRHPZUPFJHSEPS-SECBINFHSA-N 252.289 1.540 0 50 CDAA CN1CCN(Cc2cnn(C)c2)[C@H](c2ccccc2)C1 248401868 MFFADHOVKMSGLC-INIZCTEOSA-N 270.380 1.909 0 50 CDAA COc1cnc(C(=O)N[C@@H]2CCn3cncc32)c(F)c1 898811176 SHPBUVLPHZGGGE-SNVBAGLBSA-N 276.271 1.301 0 50 CDAA CN(C)S(=O)(=O)CCCN1CCC[C@@H]1c1ccccn1 252482733 DMOCCPXKGGHSLM-CQSZACIVSA-N 297.424 1.500 0 50 CDAA CC(C)(NCC(=O)N1CCCC1)c1nccs1 157435934 BIGYWFKTXZEPCW-UHFFFAOYSA-N 253.371 1.590 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(-c3ccccc3F)n2C1 260144826 FCTPPVJGMSDLPK-SECBINFHSA-N 275.283 1.820 0 50 CDAA C[C@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)[C@@H](C)CO1 263301068 DEZBSDXULXQRQF-QWRGUYRKSA-N 277.320 1.563 0 50 CDAA C[C@@H](NC(=O)c1ccc(F)cc1O)c1cnn(C)c1 164075855 RLSVWQXUOWDGOW-MRVPVSSYSA-N 263.272 1.756 0 50 CDAA Cc1nc(C(=O)NCC2=CCCC2)ccc1C(=O)O 659225317 JRUPHQGUGWKXHC-UHFFFAOYSA-N 260.293 1.928 0 50 CDAA Cc1nnc(CN(C)C[C@@H](O)Cc2ccccc2)o1 293464831 WXIYIGPFEZJZQJ-ZDUSSCGKSA-N 261.325 1.413 0 50 CDAA CCn1nc(C)c(C(=O)N[C@@H](CSC)C(=O)O)c1C 299765595 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COc1ccccc1C(=O)n1nc(-c2ccco2)nc1N 608724 BGOHEHPDIIPCBT-UHFFFAOYSA-N 284.275 1.817 0 50 CDAA CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 1569746 KFKWRHQBZQICHA-OLZOCXBDSA-N 278.352 1.172 0 50 CDAA endogenous,in-man Cc1ccccc1NC(=O)C[C@H]1SCCNC1=O 2204583 DMUXIRFITAAQKZ-LLVKDONJSA-N 264.350 1.555 0 50 CDAA O=S(=O)(CCO)c1ccc(Cl)cc1Cl 2511136 MGPKEBIUTMPMDY-UHFFFAOYSA-N 255.122 1.759 0 50 CDAA CCc1cnc(C2=N[C@@](C)(C(C)C)C(=O)N2)c(C(=O)O)c1 2564882 XVOKUMIPKHGGTN-HNNXBMFYSA-N 289.335 1.633 0 50 CDAA in-vitro O=C(CCS(=O)(=O)c1ccccc1)Nc1ncccn1 4503016 QXKLOZZQAZICPS-UHFFFAOYSA-N 291.332 1.279 0 50 CDAA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 6698085 TUWLXLVDRXDNQB-GFCCVEGCSA-N 296.392 1.739 0 50 CDAA CC(C)S(=O)(=O)c1ncc(CO)n1Cc1ccccc1 6705418 VZVVUNCLJBAIKV-UHFFFAOYSA-N 294.376 1.606 0 50 CDAA COC(=O)c1sc(NC(=O)C2CCC2)nc1C 7705873 FMNPSBZWMWGKIJ-UHFFFAOYSA-N 254.311 1.977 0 50 CDAA Cc1ccnc(NS(=O)(=O)N2CCC(C)CC2)c1 8714470 BNSRHNVTQRADJY-UHFFFAOYSA-N 269.370 1.779 0 50 CDAA COc1c(C(=O)Nc2ccnn2[C@H](C)C2CC2)cnn1C 413340215 OXSIWNNSXUHGEM-SECBINFHSA-N 289.339 1.849 0 50 CDAA O=C(NC1CC1)[C@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1 225220692 QZYFRHLXTMCEOB-ABHRYQDASA-N 290.407 1.940 0 50 CDAA Nc1cc(=O)[nH]c(SCC(=O)c2ccc(F)cc2)n1 9059443 ILENOLPSSHNKCN-UHFFFAOYSA-N 279.296 1.466 0 50 CDAA COc1ccc(CNc2nc3[nH]c(C)c(C)c(=O)n3n2)cc1 101211335 JMSIAYZQOHSCRV-UHFFFAOYSA-N 299.334 1.655 0 50 CDAA CN1CCN(CCCNC(=O)c2ccc(Cl)cc2)CC1 22935085 DOSAESGGECWNRM-UHFFFAOYSA-N 295.814 1.707 0 50 CDAA CC(C)NS(=O)(=O)CCN[C@H](C)c1ccccc1 173390385 CJBIORBOAYNJAG-GFCCVEGCSA-N 270.398 1.665 0 50 CDAA Cc1cc(C(=O)N(C)Cc2ccc3nonc3c2)n[nH]1 20996255 SNGRSCZKIYSMOM-UHFFFAOYSA-N 271.280 1.527 0 50 CDAA CC(=O)N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 420986593 MUKXUXWDCUCYQB-CYBMUJFWSA-N 286.335 1.447 0 50 CDAA COC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 22532429 MCJNVETYYAJFEL-UHFFFAOYSA-N 283.349 1.399 0 50 CDAA CCc1nnc(C)cc1C(=O)NCC(=O)C(C)(C)C 228447210 XZXAKFAREQNEPE-UHFFFAOYSA-N 263.341 1.692 0 50 CDAA 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Cc1cnc(CN(C)C(=O)N[C@H](C)CN2CCCC2)[nH]1 534675423 HCVBCFBXJWTBKY-GFCCVEGCSA-N 279.388 1.344 0 50 CDAA Cc1nnc(NCC[C@H](C)N2CCN(C)CC2)s1 534664746 DOQINULUMWAXQW-JTQLQIEISA-N 269.418 1.284 0 50 CDAA O=C(NC[C@H]1CCN(C2CCCCC2)C1)C1(CO)CC1 534634740 SKUKEGVSEMPVNP-CYBMUJFWSA-N 280.412 1.530 0 50 CDAA CCCc1cc(CN(C)C(=O)[C@@H]2CC23CCNCC3)n[nH]1 534575295 VTDJYHKRHNVGIY-AWEZNQCLSA-N 290.411 1.710 0 50 CDAA O=C([C@H]1CCCO1)N1CCCN(c2ncccc2F)CC1 363641684 QLDDFCLYSFRPJH-CYBMUJFWSA-N 293.342 1.438 0 50 CDAA CCN(C)C(C)(C)CNC(=O)[C@@H](C)n1cc(Cl)cn1 299767644 IOPVHBPVEDEBME-SNVBAGLBSA-N 286.807 1.944 0 50 CDAA Cc1nnc(CN(C)C(=O)c2cnc(C(C)C)nc2C)o1 299758515 MAFHQENLBCASDS-UHFFFAOYSA-N 289.339 1.872 0 50 CDAA O=C([C@H]1CCCCO1)N1CC(Oc2ccc(F)cc2)C1 299802766 PDZOSDUJNGRTBY-CQSZACIVSA-N 279.311 1.984 0 50 CDAA C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1nc(C2CC2)no1 299756679 HHQDBTWZQMCFSZ-SSDOTTSWSA-N 298.306 1.709 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1cccc2[nH]ncc12 299787101 PGRXKADURQSHNJ-STQMWFEESA-N 290.323 1.488 0 50 CDAA C[C@@H](Cn1ccnc1)NCC1(Cn2ccnc2)CC1 821495616 OFJDXPXPQSLTFQ-ZDUSSCGKSA-N 259.357 1.538 0 50 CDAA Cc1cccnc1NCCNC(=O)[C@@H](C)Cn1cccn1 827628013 JVQOKJAAQBQAFD-ZDUSSCGKSA-N 287.367 1.451 0 50 CDAA Cc1cnc(CNC(=O)[C@H]2CC(C(C)C)=NO2)cn1 827792020 WGAQGQGBRAHOFU-GFCCVEGCSA-N 262.313 1.202 0 50 CDAA Cc1nncn1CCN(C)CCC1(O)CCCC1 823693038 GUDRKONNHBKRBA-UHFFFAOYSA-N 252.362 1.214 0 50 CDAA CC(C)c1nccn1CCCNC(=O)c1cc(N)ccn1 827577759 FTCDFIVMBALPDA-UHFFFAOYSA-N 287.367 1.804 0 50 CDAA CCc1ncsc1N1C(=O)CN(CCOC)C1=O 900244739 ZXFIOASTAPWNMP-UHFFFAOYSA-N 269.326 1.121 0 50 CDAA CC1(C)SC[C@@H](C(=O)NC(C2CC2)C2CC2)NC1=O 584899320 CSSRYOROSPOHFG-JTQLQIEISA-N 282.409 1.301 0 50 CDAA Cc1ccc(C(=O)OCC(=O)N=S(C)(C)=O)c(F)c1 585135839 FJLYDLGCDRVNFA-UHFFFAOYSA-N 287.312 1.545 0 50 CDAA CCOC(=O)Cc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 675083710 JNBNRXHXZDBMCA-NSHDSACASA-N 291.303 1.230 0 50 CDAA CN(C)c1ccc(CNCc2cccc(CO)c2)cn1 952965697 RDQROHWALWUZQH-UHFFFAOYSA-N 271.364 1.930 0 50 CDAA Cc1cccc(N2CCC(N3C[C@H](N)[C@@H](O)C3)CC2)c1C 1565529116 ROQNBEAVBBIQLN-RDJZCZTQSA-N 289.423 1.276 0 50 CDAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)C1(NC(N)=O)CC1)C2 408056654 JZKSHNMQTWSIJR-BHDSKKPTSA-N 279.384 1.518 0 50 CDAA O=S(=O)(Cc1nnc2n1CCCCC2)c1ccccn1 278868159 VPBNIXMCDDAWQU-UHFFFAOYSA-N 292.364 1.373 0 50 CDAA Cn1c(S)nnc1CNC(=O)C=C(C1CC1)C1CC1 170621465 BPFZHPUHHQRTQS-UHFFFAOYSA-N 278.381 1.466 0 50 CDAA COCCOCCNc1ccc(OCC(=O)OC)cc1C 170609036 DDTSTILIKSOZRN-UHFFFAOYSA-N 297.351 1.622 0 50 CDAA C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 632882517 ZMRPOEVOZDSPCE-YWVKMMECSA-N 295.339 1.295 0 50 CDAA O=C(Nc1ccncn1)N1CC[C@H](CN2CCCC2)C1 190709020 FAHOGIHBLNMJOG-GFCCVEGCSA-N 275.356 1.426 0 50 CDAA O=C(C1CC1)[C@@H]1CN(C(=O)c2ccc(F)cc2O)CCO1 669911001 AJOULLVCMBGKTO-ZDUSSCGKSA-N 293.294 1.351 0 50 CDAA CC[C@@H]1CN(C)CCN1C(=O)Cc1cccc(COC)c1 585086066 IDLYBQHFYXYYGI-MRXNPFEDSA-N 290.407 1.928 0 50 CDAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1ccccc1Cl 659169508 DEAKCBALCUKWLX-VHSXEESVSA-N 269.684 1.312 0 50 CDAA C[C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)[C@H](C)CO1 659261717 CUNFWCOHRGYPQT-LALPHHSUSA-N 274.364 1.857 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)O)C2)o1 903561687 TWXGDDFKMIQCJT-VHSXEESVSA-N 287.337 1.510 0 50 CDAA C[C@H](CC1COC1)N[C@H]1CC(=O)N(C2CCCCC2)C1 1615585801 LRWQPLAJNGTFIV-OCCSQVGLSA-N 280.412 1.935 0 50 CDAA COc1cc(CNC(=O)[C@@H](C)CN(C)C)ccc1O 1615585712 BNIYGZMEVCFYNR-JTQLQIEISA-N 266.341 1.215 0 50 CDAA CCc1nc(C)ncc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615555495 UEMDIKRMIZCCFJ-HZPDHXFCSA-N 296.374 1.702 0 50 CDAA O=C(c1nc2cnccc2s1)N1C[C@@H]2[C@@H](CF)[C@@H]2C1 1615621025 BFCSHIHIGFHQLC-PSVAKVPMSA-N 277.324 1.979 0 50 CDAA C[C@@H](Cn1cncn1)C(=O)NCCSC(F)(F)F 1506414468 QGIBGTIMUYSNJI-ZETCQYMHSA-N 282.291 1.283 0 50 CDAA C[C@H]1CCCCN1C1CN(CCN2CCCC2=O)C1 1506412741 NQBARRHITUPSCH-ZDUSSCGKSA-N 265.401 1.167 0 50 CDAA OCC1CCN([C@@H]2CCN(c3ccccc3)C2)CC1 1506412506 ZHLDQLCMXUMVIE-MRXNPFEDSA-N 260.381 1.970 0 50 CDAA C[C@H]1CO[C@H](C)CN1C(=O)[C@H]1CC12CCNCC2 226427168 SXYLEHVVKOQWMR-QJPTWQEYSA-N 252.358 1.012 0 50 CDAA CN(C)CCc1nnc(NC(=O)C2(C)CC2)s1 1529114983 WOGSSTJEWHUWPB-UHFFFAOYSA-N 254.359 1.381 0 50 CDAA CN(CC[C@H]1CCCCO1)c1nc(C(=O)O)co1 1529152342 KBJHLZHNHODGFO-SECBINFHSA-N 254.286 1.768 0 50 CDAA COCCCNC(=O)Cc1ccc(OC)c(OC)c1 2932741 HUGBRBFVEYVEKR-UHFFFAOYSA-N 267.325 1.399 0 50 CDAA biogenic C[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Cl)CCN1 237619703 XIEFHKLFFULDAW-WDEREUQCSA-N 282.771 1.928 0 50 CDAA COC(=O)C[C@H](c1ccco1)c1c(O)n(C)c(C)cc1=O 1547204198 NYWFSHIFAHDACT-SNVBAGLBSA-N 291.303 1.687 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@@H](C)C1 928185856 IJXHDMAUXYKLKJ-VXGBXAGGSA-N 252.358 1.525 0 50 CDAA COc1ncc(Cl)c(N[C@@H](C)CO[C@@H]2CCOC2)n1 151972043 LXDOZMVXQPFOLW-DTWKUNHWSA-N 287.747 1.745 0 50 CDAA CCN(CCSC)c1cc(C)nc2ncnn12 592000468 NCWOKEDJDIITPQ-UHFFFAOYSA-N 251.359 1.622 0 50 CDAA CCc1nc(N)nc(N2CCC[C@@H](NC(C)=O)C2)c1C 1772711842 GHSWFQZUSGMERK-LLVKDONJSA-N 277.372 1.035 0 50 CDAA COc1nc(NC[C@H](c2ccco2)N(C)C)ncc1F 1772701427 MFXCIZFXMVFMIL-SNVBAGLBSA-N 280.303 1.932 0 50 CDAA CSCC(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 12297426 SVPRVUHHXPEFPX-OAHLLOKOSA-N 296.436 1.601 0 50 CDAA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)CC(=O)N2 17029173 UPIYLAPAACHMRG-JTQLQIEISA-N 255.277 1.552 0 50 CDAA CCN1C(=O)/C(=C2\SC(=O)NC2=O)c2ccccc21 17728988 LGECJVQZJUOWQG-KTKRTIGZSA-N 274.301 1.747 0 50 CDAA CSc1ccc2c(c1)CCN(CCCn1cnnn1)C2 19952776 NGDGPEWQNYIZIT-UHFFFAOYSA-N 289.408 1.843 0 50 CDAA Cc1cnc(N2CCCN(c3ccccn3)CC2)nc1 302228208 QRFCPQWVPXNWBD-UHFFFAOYSA-N 269.352 1.897 0 50 CDAA CN(CCc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H]1C(=O)O 258782576 YQKIPAXACPJTJD-NEPJUHHUSA-N 265.284 1.547 0 50 CDAA Cc1c(OCC(N)=O)ccc2c3c(c(=O)oc12)CCCC3 42765 MMQTWKZNLKILPT-UHFFFAOYSA-N 287.315 1.844 0 50 CDAA biogenic COCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 148270 XHXARVKDOHBBIB-SSDOTTSWSA-N 282.365 1.557 0 50 CDAA CC(C)c1cccc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1 613908450 SUZGYVAMPUTGHO-HUUCEWRRSA-N 277.364 1.625 0 50 CDAA COC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1 2555065 CZWJWNQZTSMVAZ-ZDUSSCGKSA-N 294.351 1.583 0 50 CDAA in-vitro Cc1cc(C)cc(NC(=O)C(=O)NC[C@H]2CCCO2)c1 2958740 ZPRQUKNBUHYAHS-CYBMUJFWSA-N 276.336 1.537 0 50 CDAA Cc1cc(=N)[nH]cc1-c1cnc(N2CCC[C@@H](O)C2)nc1 629759054 HGURNZZFHUNLJA-GFCCVEGCSA-N 285.351 1.221 0 50 CDAA Cc1co[nH]c1=NC(=O)N(C)C[C@H]1CCc2nccn2C1 328623385 JAEMFPMTKVQYRM-LLVKDONJSA-N 289.339 1.328 0 50 CDAA COc1ccc([C@H]2CCN(C(=O)C3(C(=O)O)CC3)C2)cc1 237374319 FVCRINAQYGLWPP-LBPRGKRZSA-N 289.331 1.876 0 50 CDAA O=C(O)C1CCN(C(=O)c2ccn(C3CCCC3)n2)CC1 238042938 TXXKLGQTPBSUID-UHFFFAOYSA-N 291.351 1.935 0 50 CDAA CCC[C@@]1(CO)CCN(C(=O)c2ncc(OC)cn2)C1 356139958 NFMYTADROIMGGA-CQSZACIVSA-N 279.340 1.110 0 50 CDAA Cn1ccc(C(=O)N2CCC[C@H]2c2cccnc2)n1 589448641 ZHQDLJHVCJGVQP-ZDUSSCGKSA-N 256.309 1.792 0 50 CDAA CC1(C)C[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)CO1 396676083 UQGVTLQUPCQOFZ-LBPRGKRZSA-N 288.347 1.869 0 50 CDAA COc1ccc(S(=O)(=O)NCC(C)C)cc1F 12843629 OBJIQTATGJMYNG-UHFFFAOYSA-N 261.318 1.769 0 50 CDAA O=C(Cc1nnc(-c2ccccc2)o1)N1CC2(CC2)C1 868621257 DTBPFSMDXKHSJR-UHFFFAOYSA-N 269.304 1.902 0 50 CDAA Cc1c(NS(=O)(=O)c2ccccc2C2CC2)nnn1C 1875291155 PPGJGVWSSKSNIP-UHFFFAOYSA-N 292.364 1.802 0 50 CDAA CCNC(=O)[C@H](CC)NC(=O)c1ccc2[nH]ccc2c1 1875306676 BSIJJMAMEGWRIH-LBPRGKRZSA-N 273.336 1.812 0 50 CDAA Oc1ncnc2ccc(OC[C@H]3C[N@@]3CC3CC3)cc12 1875383844 BLNBNZMIXCANHS-ADLMAVQZSA-N 271.320 1.808 0 50 CDAA O=C(N[C@]1(c2ncc[nH]2)CCOC1)c1cc[nH]c1C1CC1 886096462 IIFBXWNSAXABBH-OAHLLOKOSA-N 286.335 1.661 0 50 CDAA CC(C)[C@@H](O)CN1CC[C@@](CO)(c2cccc(F)c2)C1 888101429 VJJSBVPODGPLCP-JKSUJKDBSA-N 281.371 1.778 0 50 CDAA COCc1nccc(N2CCN(Cc3ccccn3)CC2)n1 891611132 GQBHVWCVXIPIFL-UHFFFAOYSA-N 299.378 1.340 0 50 CDAA CCc1c[nH]c2ncnc(N3CC[C@](C)(C(=O)NC)C3)c12 893651121 MJGLNMGYWQDYLP-HNNXBMFYSA-N 287.367 1.483 0 50 CDAA C[C@@H]1CC[C@H](C(=O)NS(=O)(=O)Oc2ccccc2)C1 1775997227 YHOMAVQGTLKMFI-MNOVXSKESA-N 283.349 1.863 0 50 CDAA CC(=O)NCCc1cn(-c2cccc(F)c2F)nn1 899735370 KALKINUPECFOFT-UHFFFAOYSA-N 266.251 1.224 0 50 CDAA Cc1cccc(C(=O)N(CC(=O)O)C2CCOCC2)n1 237600560 UEMOGDQMZGLUFH-UHFFFAOYSA-N 278.308 1.096 0 50 CDAA Cc1nc2c(s1)[C@H](N(C)Cc1nnn(C)n1)CCC2 194445358 ALIVGEVCLKSDRV-SNVBAGLBSA-N 278.385 1.484 0 50 CDAA O=C(NCC1(O)CCC(F)(F)CC1)c1cnccn1 620330295 OHOXWPVWMUPMBN-UHFFFAOYSA-N 271.267 1.147 0 50 CDAA O=C(NCC[C@@H]1CCCOC1)c1cncc(O)c1 529605858 QKGWYVDABRZMBA-JTQLQIEISA-N 250.298 1.334 0 50 CDAA O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1C=CCN1 534653652 VESRVZWBZKEGKH-ZDUSSCGKSA-N 258.321 1.156 0 50 CDAA CCn1c(S)nc2nc3c(cc2c1=O)CCCC3 95545583 RYMPDWNZCQXSCM-UHFFFAOYSA-N 261.350 1.979 0 50 CDAA COc1ccc2c(c1)CCN(Cc1nonc1C)C2 670461972 QCHPCMCDAMUIOS-UHFFFAOYSA-N 259.309 1.945 0 50 CDAA CCOC(=O)CCCN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3OC 367137395 IAKFTHCGTQMINR-OBORUHMCSA-N 267.369 1.685 0 50 CDAA COCC1(C(=O)O)CCN(C(=O)[C@@H]2CC2(C)C)CC1 373562969 WRADELVTAUICJV-JTQLQIEISA-N 269.341 1.372 0 50 CDAA N[C@H]1CCc2ccccc2N(Cc2nncs2)C1 952876649 DCSKWEMMDPXEHG-NSHDSACASA-N 260.366 1.818 0 50 CDAA O=C(Nc1nccs1)c1c(O)c2ccccc2[nH]c1=O 5687477 XQZTVKOKJKXPFB-UHFFFAOYSA-N 287.300 1.943 0 50 CDAA OCCn1cc(CN[C@@H]2CCCOc3ccccc32)cn1 2325773851 NJMBJXBMUPWPCL-OAHLLOKOSA-N 287.363 1.879 0 50 CDAA CC(C)(C(=O)NCCc1nc(=O)o[nH]1)C1=CCSCC1 2325797339 CUZNVALKWQKIRA-UHFFFAOYSA-N 297.380 1.111 0 50 CDAA CCOC(=O)[C@@]1(C(C)C)CCN(C[C@@H](O)C(F)(F)F)C1 248742626 QPHCDQWMHLTTEK-PWSUYJOCSA-N 297.317 1.821 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1F 83180 SPQKQBJHCXEHIP-NSHDSACASA-N 279.340 1.365 0 50 CDAA C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCSC1=O 182414 DBGQJWYUVHXJQX-KOLCDFICSA-N 265.334 1.602 0 50 CDAA COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCC1 227709 AWZCBLJQMJUZDO-UHFFFAOYSA-N 285.321 1.178 0 50 CDAA O=C1N=C2SC=CN2C(=O)[C@H]1Cc1ccccc1 379367 VEXNVYPXFNBGSL-JTQLQIEISA-N 258.302 1.788 0 50 CDAA O=c1c2ccccc2ncn1C[C@@H](O)CNc1ccccc1 406611 JMLCKVXHAFJFDE-AWEZNQCLSA-N 295.342 1.870 0 50 CDAA CCOC(=O)NC1CCC(NC(=O)OCC)CC1 461421 OLKNJKCNIMETAL-UHFFFAOYSA-N 258.318 1.790 0 50 CDAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nncs1 483756 YGTSCYDYTHRGFB-BQBZGAKWSA-N 253.283 1.144 0 50 CDAA CCOC(=O)O[C@@H](C)CNC(=O)[C@@H](C)OC(=O)OCC 1871170 HKRYSUXRVIVJTP-DTWKUNHWSA-N 291.300 1.226 0 50 CDAA NC(=O)Cc1c[nH]c2ccc(Br)cc12 2022280 DVPBWLLOGOINDW-UHFFFAOYSA-N 253.099 1.958 0 50 CDAA in-vitro CCOC(=O)COc1cc(OC)ccc1C(C)=O 2519645 YISLSHLMCGQGRB-UHFFFAOYSA-N 252.266 1.840 0 50 CDAA O=C(N[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 4030693 NHNAYPQCUJLMGT-OEXLFXSVSA-N 297.420 1.506 0 50 CDAA CCOc1ccccc1NC(=O)CSc1cn[nH]n1 4386595 MUKIFXOWNQIWTD-UHFFFAOYSA-N 278.337 1.934 0 50 CDAA CCOC(=O)CN(Cc1ccccn1)C[C@@H]1CCCO1 55385165 AUZQUESWVQDLBN-AWEZNQCLSA-N 278.352 1.626 0 50 CDAA CC(C)c1ccc(N2C(=O)C[C@@H](NCCO)C2=O)cc1 9225269 SDZASXWKAGEFCR-CYBMUJFWSA-N 276.336 1.024 0 50 CDAA CCOC(=O)[C@H]1C(=O)CC(=O)C[C@H]1c1ccc(OC)cc1 100104164 QYKQFTVLQARPNH-DZGCQCFKSA-N 290.315 1.890 0 50 CDAA Cc1ccc(NC(=O)CC(=O)NCc2cc(C)n[nH]2)cc1 55198846 CCDOCQLORHSRIA-UHFFFAOYSA-N 286.335 1.672 0 50 CDAA CCNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100507348 NOCDQRFVYXBIFU-UHFFFAOYSA-N 260.293 1.477 0 50 CDAA OCc1ccc(-c2nccn2CCCn2ccnc2)o1 67774967 UIFCHHLWUHTWMF-UHFFFAOYSA-N 272.308 1.922 0 50 CDAA COc1c(C)cc(CN2C[C@H](F)C[C@H]2C(N)=O)cc1C 344499201 QOEKFRRHXRWJIF-OLZOCXBDSA-N 280.343 1.710 0 50 CDAA COCCOCCOCCOCCC(=O)OC(C)(C)C 117090073 JUINYDFUOXIVCX-UHFFFAOYSA-N 292.372 1.414 0 50 CDAA Cc1nc(C)n(C[C@@H]2CCCN([C@H]3C[C@@H](C)OC3=O)C2)n1 247860089 ZRTWGARUKFOGAE-HONMWMINSA-N 292.383 1.311 0 50 CDAA O=C(O)[C@H]1CC(=O)N(Cc2ccc(F)cc2Cl)C1 67244975 XPJIRXVDJCKLGO-QMMMGPOBSA-N 271.675 1.912 0 50 CDAA O=C(Cc1ccncc1)N1CCC[C@@H](CN2CCCC2)C1 20868370 SIORAWNUZQIBSW-INIZCTEOSA-N 287.407 1.959 0 50 CDAA Cc1ccc([C@@H](C)CCN2CCN(CCO)CC2)o1 22077683 YLCXWHVBAKFNAY-ZDUSSCGKSA-N 266.385 1.692 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCCC[C@H]1CO 305676425 JLULELUJERHVGE-XQHKEYJVSA-N 255.358 1.469 0 50 CDAA COc1ccc([C@@H](NC(=O)c2cnnn2C)C2CC2)cc1 281054363 SRWMGGXYIVHIBF-AWEZNQCLSA-N 286.335 1.705 0 50 CDAA CCNc1ccnc(N2CC(c3ccncc3)C2)n1 72161451 QUNHYPICRAKJSI-UHFFFAOYSA-N 255.325 1.907 0 50 CDAA CN(C)C(=O)c1cccc(-c2ccc(C(N)=O)cc2)n1 215374445 ZOUCHJGQCKRGOD-UHFFFAOYSA-N 269.304 1.549 0 50 CDAA Cc1cn[nH]c1C1CCN(C(=O)c2ccc(N)nc2)CC1 215466695 HVIAYGSAYHKTBU-UHFFFAOYSA-N 285.351 1.715 0 50 CDAA NCC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 72125479 WCSYTFRIMRFRLC-LBPRGKRZSA-N 251.305 1.187 0 50 CDAA C[C@@]12CC[C@@H]3C[C@]1(C(=O)O)N(C(=O)C1CC1)C[C@]32C 253390739 ALHYYNKKHZQQAO-QPKOPYBWSA-N 263.337 1.888 0 50 CDAA CCC[C@H]1C[C@H](C(=O)NCCN2CC=CCC2)CCO1 253431732 SZEJOWWYBCMIGM-CABCVRRESA-N 280.412 1.960 0 50 CDAA O=C1NC2(CCNCC2)C(=O)N1CCc1ccccc1F 76536452 NKIBJXRAMWLRPP-UHFFFAOYSA-N 291.326 1.042 0 50 CDAA Cc1noc(C)c1CCS(=O)(=O)[C@H]1CCOC1 330135733 MYAHKXPKMMSCKM-JTQLQIEISA-N 259.327 1.038 0 50 CDAA Cc1cnn(C)c1CN[C@@H]1CC(=O)N(Cc2ccccc2)C1 367539723 CXCHUBOCKVUENQ-OAHLLOKOSA-N 298.390 1.619 0 50 CDAA Cc1nc(N[C@H](C)Cc2cnccn2)c2c(C)nn(C)c2n1 72421361 ZMXVTNNUPMPGCM-SECBINFHSA-N 297.366 1.813 0 50 CDAA 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0 50 CDAA Cc1c(Br)cccc1CS(N)(=O)=O 156963315 IPHXEWVPSWZHJN-UHFFFAOYSA-N 264.144 1.546 0 50 CDAA C[C@H]1CN2C[C@@H](Nc3ncnc4ccsc34)C[C@H]2CO1 1857717152 XDLPORRRBJMMNE-DCAQKATOSA-N 290.392 1.965 0 50 CDAA Cc1ncc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cn1 247931746 CRJXFZNZIIGCDR-OLZOCXBDSA-N 261.325 1.328 0 50 CDAA N=c1cc[nH]cc1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875243173 UKCZPBMXEPFEPG-LBPRGKRZSA-N 253.305 1.765 0 50 CDAA CNc1nc(C)cc(C(=O)NCC(C)(C)C[C@@H](C)O)n1 225505659 BOLXZVHAGPREDH-SNVBAGLBSA-N 280.372 1.354 0 50 CDAA CCn1cc(C(=O)N(C)C[C@@H]2CCn3ccnc3C2)cn1 328617003 CGSDWHPMMMUNDG-GFCCVEGCSA-N 287.367 1.434 0 50 CDAA NC(=O)c1ccc(NC(=O)c2cnc3ccccn23)cc1 534289781 LMLHKNIVNCXJRY-UHFFFAOYSA-N 280.287 1.686 0 50 CDAA C[C@@H](CN)N(C)S(=O)(=O)c1ccc(Cl)cc1 237491753 HDTONZPCZWCCDA-QMMMGPOBSA-N 262.762 1.308 0 50 CDAA COCc1nc(C)cc(N2CCC[C@H](c3nc[nH]n3)C2)n1 363604557 QVQCEKTWZNVMGM-NSHDSACASA-N 288.355 1.434 0 50 CDAA O=C1CCC(=O)N1CCNc1noc(-c2ccccc2)n1 157566732 OOKMAQFCDAJNNX-UHFFFAOYSA-N 286.291 1.298 0 50 CDAA Cc1cc(C)nc(NS(=O)(=O)CC2(F)CC2)c1 903612894 GHALDENBYIVTEB-UHFFFAOYSA-N 258.318 1.942 0 50 CDAA CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc2[nH]ccc2n1 907173480 CWCJIQCBCOCWFV-VHSXEESVSA-N 286.335 1.207 0 50 CDAA CC[C@@](CNC(=O)c1ccncn1)(C(=O)O)c1ccccc1 909844666 FYINWUPFJYHIBD-INIZCTEOSA-N 299.330 1.639 0 50 CDAA CCOc1ccc2ccccc2c1C(=O)N[C@H]1CCNC1=O 824643483 ZEZZFICDZUPRNC-ZDUSSCGKSA-N 298.342 1.857 0 50 CDAA C[C@@H](c1ncccn1)N1CCS(=O)(=O)C(C)(C)C1 929824482 LOPMXWQUTWUJBN-JTQLQIEISA-N 269.370 1.047 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC1(c2ccc(F)cc2)CC1 858551575 AFIPIJTWXYEMMD-UHFFFAOYSA-N 290.338 1.618 0 50 CDAA CNC(=O)[C@H]1CCC[C@@H]1Nc1nc2cnccc2n1C 865650494 LNRBEVGFNZYKJE-UWVGGRQHSA-N 273.340 1.295 0 50 CDAA Clc1cc(CN=c2nc[nH][nH]2)cc2c1OCCO2 1875275611 DGUZLMFANCRLIC-UHFFFAOYSA-N 266.688 1.263 0 50 CDAA CCC1(c2cn([C@@H](C)C(=O)N3CCCC3)nn2)COC1 1875345357 YCRXZYXCYCKZAK-NSHDSACASA-N 278.356 1.140 0 50 CDAA CN(C)C/C=C/C(=O)N[C@H](Cn1cncn1)c1ccccc1 1875376051 XCOHDULLVPAPEI-RZIFZGNASA-N 299.378 1.253 0 50 CDAA Cn1nnnc1Sc1cnc2c(F)cccc2n1 1875405181 XJNXBKBYXHNAGW-UHFFFAOYSA-N 262.273 1.444 0 50 CDAA CC1(C)O[C@H]2C[C@H](NC(=O)c3ccnc(O)c3)C[C@H]2O1 885202202 RSJVARIHHVKLSY-RTCCRHLQSA-N 278.308 1.200 0 50 CDAA Nc1ccc([C@H]2CCCN2C(=O)c2ccncc2F)nn1 886097064 LENBLZDRAWRTFL-GFCCVEGCSA-N 287.298 1.570 0 50 CDAA Cc1cnc(N2CCC[C@@](O)(Cc3nc(C)no3)C2)nc1 886079120 LLEGDOLYGCQILK-CQSZACIVSA-N 289.339 1.050 0 50 CDAA CC(C)C[C@H]1CN(C)CCN1C(=O)Cc1cncc(O)c1 886598358 YNAXALCBRHIWGI-AWEZNQCLSA-N 291.395 1.518 0 50 CDAA NC(=O)[C@]12CCC[C@H]1CN(C(=O)C1(CCF)CC1)C2 887943608 FBUXSCYDGZRRHF-HZMBPMFUSA-N 268.332 1.240 0 50 CDAA C[C@H]1CN(c2cccc(F)c2C(N)=O)CCCO1 892296395 SRHPZUPFJHSEPS-VIFPVBQESA-N 252.289 1.540 0 50 CDAA O=C(c1ccc2nc(O)[nH]c2c1)N1CC[C@@H](c2cc[nH]n2)C1 1775987470 DKNAGODTMWGDKO-SNVBAGLBSA-N 297.318 1.621 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)n(C)n1 1775957627 FGHSGDBSEXMWLA-WCQYABFASA-N 289.339 1.182 0 50 CDAA Cc1cnc(C(=O)N(C)C[C@@H](O)C2CC2)cc1Cl 1776006846 XCLJVIWXJSFAPA-GFCCVEGCSA-N 268.744 1.886 0 50 CDAA C[C@H](O)C[C@H](C)NC(=O)C1(c2ccc(O)cc2)CC1 1776005198 BGOGZVZFSZHQOJ-QWRGUYRKSA-N 263.337 1.699 0 50 CDAA Cc1cc(C(F)(F)F)cc(N2CCO[C@H](CN)C2)n1 534577307 NSFWXMKQNNWKEL-SNVBAGLBSA-N 275.274 1.573 0 50 CDAA O=C(c1ccc2c(c1)COC2)N1C[C@H](O)C2(CC2)C1 336483470 RZQGQJZPHQCBCU-ZDUSSCGKSA-N 259.305 1.314 0 50 CDAA O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)Cc1cccs1 92777916 QUSMHUZDZBNODX-LLVKDONJSA-N 291.332 1.052 0 50 CDAA Cc1cnc(Cn2cnc3ccsc3c2=O)nc1 361086991 KLRZDPBBTMOMDK-UHFFFAOYSA-N 258.306 1.605 0 50 CDAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1cc(O)ccc1F 1074591903 BHJUSFMHJJBQLX-XXILOJSOSA-N 251.257 1.439 0 50 CDAA CC(=O)c1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1 2241242 ZTDFNPVAOPUESQ-GFCCVEGCSA-N 292.360 1.449 0 50 CDAA CC(C)[C@H]1CC[C@@]2(CO2)[C@H]2C(=O)OCC(C(=O)O)=C[C@@H]21 5761434 JESMSCGUTIEROV-RTWAVKEYSA-N 280.320 1.622 0 50 CDAA biogenic,in-vitro COc1cc(CC(=O)NCc2n[nH]cc2C2CC2)on1 2325794762 QAWPQBVYPKXGDA-UHFFFAOYSA-N 276.296 1.143 0 50 CDAA CC[C@@H]1CN(CCN[C@H]2CCCn3ccnc32)CCO1 888094085 GRBKHCWQYOAUPX-KGLIPLIRSA-N 278.400 1.418 0 50 CDAA CC(C)Cc1nsc(N2CCC[C@@](N)(CO)C2)n1 900374388 JUMGHHWBFZFHOY-LBPRGKRZSA-N 270.402 1.027 0 50 CDAA COC(=O)[C@H]1CC[C@@H](CCCO)N1C(=O)OC(C)(C)C 953119862 XXDDUFJNQKGHGY-GHMZBOCLSA-N 287.356 1.700 0 50 CDAA COc1cc(C(=O)NC[C@@H]2CCCO2)cc(OC)c1OC 36072 ALGAPMXFTBJIPJ-NSHDSACASA-N 295.335 1.621 0 50 CDAA CCS(=O)(=O)CCN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250247750 PZAVNJFWDOCEFN-UTUOFQBUSA-N 289.397 1.139 0 50 CDAA Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1Cl 262568 AGODMOHWZKRIGR-UHFFFAOYSA-N 251.673 1.769 0 50 CDAA CCC(=O)NC(=S)Nc1ccc(C(=O)O)cc1 312086 VTEJEPQNWPIFAH-UHFFFAOYSA-N 252.295 1.608 0 50 CDAA Oc1ccc(-c2cnc3c(N4CC[C@H](O)C4)nccn23)cc1 2356141718 MVRVMGHORPUOGY-ZDUSSCGKSA-N 296.330 1.673 0 50 CDAA CCc1nc(O)ccc1C(=O)NCCc1nnc(C)s1 2356149087 JIPLYKFDIQCBLP-UHFFFAOYSA-N 292.364 1.482 0 50 CDAA Cn1cnc2nc(=NCCc3ccc(F)cc3)[nH]cc21 2356149398 XYRJRPSRTGOQOT-UHFFFAOYSA-N 271.299 1.579 0 50 CDAA CCCC(=O)[C@@H](CCC)C(C(=O)OC)C(=O)OC 2835842 BQRJOCYDLFHYRL-SECBINFHSA-N 258.314 1.734 0 50 CDAA CN(C)CCNC(=O)COc1cccc2ccccc12 3255949 XWVMAQPCPBASQH-UHFFFAOYSA-N 272.348 1.896 0 50 CDAA O=C(O[C@H]1C[C@@H]2CC[C@@H](N2)[C@H]1C(=O)O)c1ccccc1 4805032 CMYJDRSCSOXYHG-QNWHQSFQSA-N 275.304 1.437 0 50 CDAA in-vitro N[C@@H]1Cc2ccc(I)cc2C1 6094103 BIHPYCDDPGNWQO-SECBINFHSA-N 259.090 1.717 0 50 CDAA in-vitro C[C@H](NC(=O)NC[C@@H]1CCC[C@H]1O)c1nccs1 413636553 VQZSADDOMHOAQJ-LPEHRKFASA-N 269.370 1.664 0 50 CDAA c1coc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)c1 225599745 LDJMKGFQWLSYNA-KOLCDFICSA-N 261.281 1.865 0 50 CDAA COc1ccc(CCCN(C)Cc2nncn2C)cc1 20637765 JGWWZBWOVFHVKD-UHFFFAOYSA-N 274.368 1.888 0 50 CDAA OCCN1CCN(Cc2ccc(Br)o2)CC1 22454738 JZCUVRFTUGLRSH-UHFFFAOYSA-N 289.173 1.152 0 50 CDAA CCc1ncc2c(n1)CN(C(=O)[C@H](CC)n1cccn1)C2 67885317 SVWMBCLIQUCNLY-ZDUSSCGKSA-N 285.351 1.729 0 50 CDAA OC[C@@H]1CCCN1c1cc(NC[C@H]2CCCO2)ncn1 247958438 WKWMBXATABAFOA-NWDGAFQWSA-N 278.356 1.029 0 50 CDAA N[C@H]1CCN(c2nc(-c3ccccc3)nc3c2CCNC3)C1 67754346 DSZJFNGJOOZYSH-ZDUSSCGKSA-N 295.390 1.327 0 50 CDAA Cc1ncnc2c1ncn2-c1ccc(S(C)(=O)=O)cc1 65502502 QTJSHHARUMLVCS-UHFFFAOYSA-N 288.332 1.527 0 50 CDAA CCn1c(CCNC(=O)Cn2cccn2)nc2ccccc21 65929310 RGARYOSJHLLTFH-UHFFFAOYSA-N 297.362 1.612 0 50 CDAA C[C@H]1CCCCN1C(=O)CN(CC(=O)O)c1ccccc1 34926611 RHKYAWSMIVXMQP-ZDUSSCGKSA-N 290.363 1.979 0 50 CDAA CC1(C)CNC(=O)c2nc(C[C@@H]3CCCCO3)[nH]c2C1 65394369 DLUUQNOITCEZDA-JTQLQIEISA-N 277.368 1.833 0 50 CDAA C[C@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 32119570 QHIHFEOYYTVEPH-JTQLQIEISA-N 271.382 1.643 0 50 CDAA COCCN(Cc1ccccc1F)C(=O)C[C@H]1CCNC1 215589937 VUKYTUXPYANFNH-CYBMUJFWSA-N 294.370 1.800 0 50 CDAA C[C@@H](CCO)NC(=O)Nc1nc2c(s1)CCCC2 121069729 FHQZDVMDKQHAQF-QMMMGPOBSA-N 269.370 1.914 0 50 CDAA CCCCc1nc(Cl)c(CN2CCOC[C@@H](O)C2)[nH]1 77285410 CPQCHAQPMAWBSW-JTQLQIEISA-N 287.791 1.599 0 50 CDAA Cc1noc(C)c1CN1CCC[C@H](c2ncn[nH]2)C1 216439011 RUYUXPOGDQUICA-NSHDSACASA-N 261.329 1.789 0 50 CDAA C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)C[C@@H](C)N1 154025489 HMMYDUGONDLCJZ-TXEJJXNPSA-N 290.363 1.209 0 50 CDAA Cc1cccc2[nH]cc(CC(=O)N3C[C@@H](F)C[C@H]3CO)c12 334622647 CIQOXEZRXOZSBU-STQMWFEESA-N 290.338 1.950 0 50 CDAA COc1ccccc1OCCN1CCN[C@H](C)C1 33359728 WKKSBZMLDRMLNH-GFCCVEGCSA-N 250.342 1.368 0 50 CDAA O=c1c2nccnc2ncn1Cc1ccnc2ccccc12 32577631 CATJYMPVFMFBSW-UHFFFAOYSA-N 289.298 1.783 0 50 CDAA Cn1nccc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 335017265 SMMFPUORYRVEGP-OCCSQVGLSA-N 289.310 1.507 0 50 CDAA CCCc1noc(CN(C)C(=O)c2cc(CO)ccn2)n1 218894148 BSVMDQXNRHPWMS-UHFFFAOYSA-N 290.323 1.182 0 50 CDAA CSc1ncc(C(=O)N2CCN3CCC[C@@H]3C2)cn1 219631933 NFYOTUCAWMJVEN-LLVKDONJSA-N 278.381 1.119 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)CCO1 262073789 JEGLUNBLVORESL-ZDUSSCGKSA-N 289.331 1.321 0 50 CDAA CC[C@@H](C)OCC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 125960557 AWTKJGUZBBLYNB-DOMZBBRYSA-N 295.383 1.309 0 50 CDAA COc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C(=O)O)c(OC)c1 262213053 WDQPPCPYUFBULV-NWDGAFQWSA-N 293.319 1.383 0 50 CDAA COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@H]1CN 237177035 CZTMAHDVRNWQAJ-OWNNVSBGSA-N 274.364 1.967 0 50 CDAA C[C@H](Oc1ccc(O[C@@H](C)C(=O)O)cc1)C(=O)O 71777863 SSGKBOVUWGMTBK-YUMQZZPRSA-N 254.238 1.390 0 50 CDAA Cc1ncsc1CCNC(=O)N1[C@H]2CC[C@H]1COC2 334103579 XDTOIXWOOLCPRY-QWRGUYRKSA-N 281.381 1.567 0 50 CDAA O[C@]1(Cn2ccnn2)CCCN(c2nc3ccccc3[nH]2)C1 284754147 ODPHKNVPCQFZIS-OAHLLOKOSA-N 298.350 1.186 0 50 CDAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2CN)nn1C 130969924 YDRJEWWOYKQFLL-LLVKDONJSA-N 264.373 1.497 0 50 CDAA CCc1ccccc1CC(=O)N1CC[C@@](CO)(COC)C1 456745725 CPHOHTOHORVEQL-QGZVFWFLSA-N 291.391 1.649 0 50 CDAA CN(C)C(=O)C(C)(C)NC(=O)N(C)c1ccc(F)cc1 527043825 XHOKAPHKSMZJJT-UHFFFAOYSA-N 281.331 1.838 0 50 CDAA CN(C)c1ncccc1NC(=O)CC[C@H]1CCOC1 176707541 IMTXVLKYVRVGKB-NSHDSACASA-N 263.341 1.903 0 50 CDAA Cc1nc(CCCC(=O)N2CC[C@H](C(=O)O)C2)cs1 178257958 KVHUXLPJNGYDDW-JTQLQIEISA-N 282.365 1.707 0 50 CDAA CC(C)c1noc([C@H](C)NC(=O)CCn2ccnc2)n1 426612972 SWWITXKFGKMVBU-JTQLQIEISA-N 277.328 1.657 0 50 CDAA CC(C)[C@@H]1CN(C(=O)c2ccc(O)cn2)C[C@H]1N(C)C 95507561 PHPAILVFGHSCAW-GXTWGEPZSA-N 277.368 1.445 0 50 CDAA N[C@@H]1CCCN(Cc2ccccc2OCCO)CC1 97772987 GMOWISIYDAKZQP-CQSZACIVSA-N 264.369 1.371 0 50 CDAA C[C@H](C(=O)NCCCOC1CCCCC1)N1CCOCC1 339777035 LOIWFGVLMLMJSE-CQSZACIVSA-N 298.427 1.563 0 50 CDAA Cc1cccc(CN2CCOCS2(=O)=O)c1F 91746731 PUAZNUIJRRBZJR-UHFFFAOYSA-N 259.302 1.254 0 50 CDAA N=C(N)NCCN1CC=C(Oc2ccccc2)CC1 95918179 GAZNYHZUXSDLPK-UHFFFAOYSA-N 260.341 1.138 0 50 CDAA O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 92078489 DCWMNBYPBJMCFV-QWHCGFSZSA-N 297.362 1.546 0 50 CDAA FC1(F)[C@@H]2[C@H]3O[C@@H]([C@@H]4[C@H]5C=C[C@@H](O5)[C@H]34)[C@@H]2C1(F)F 238899906 HGNFEDIMSWVEKW-AESKXKGCSA-N 262.202 1.854 0 50 CDAA COC(=O)c1cn(NC(C)(C)C)cc2c(O)nnc1-2 524734986 XBUNJCIFYUAYBP-UHFFFAOYSA-N 264.285 1.217 0 50 CDAA CCc1ccccc1CN1CCN2CCN(C)C[C@H]2C1 244608496 FDTNRLBSAMFAKK-KRWDZBQOSA-N 273.424 1.681 0 50 CDAA Cc1nc(CNC(=O)CCN2CCCCC2=O)n(C)c1C 244724063 MMXGBFSLZQHDEY-UHFFFAOYSA-N 292.383 1.056 0 50 CDAA CCS[C@@H]1CCC[C@@H]1NC(=O)c1cn(C)nc1COC 294807742 BVNQVZCLIQVUJE-WCQYABFASA-N 297.424 1.971 0 50 CDAA Cn1cc([C@H](NC2Cc3ccccc3C2)[C@H]2C[C@@H](O)C2)cn1 243885667 ABGRBHCGGYNHDF-FHLIZLRMSA-N 297.402 1.989 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)O 299751038 PHBZSTVROGATBE-CABNGKKXSA-N 291.347 1.990 0 50 CDAA COC(=O)[C@]1(N)C[C@]1(C)c1ccc(Br)cc1 521399724 KXGDFZBDHKTHEN-VXGBXAGGSA-N 284.153 1.981 0 50 CDAA CCOC(=O)CN1C(=O)C(F)(F)c2cc(N)ccc21 252478779 AVBMFXQSIUHVKT-UHFFFAOYSA-N 270.235 1.270 0 50 CDAA CCOC(=O)N1CC[C@@H](NCCc2nc(C)cs2)C1 534675229 LNAREHCMJARUTG-LLVKDONJSA-N 283.397 1.814 0 50 CDAA CN(C(=O)CN1C[C@@H]2CC[C@H](C1)[C@H]2N)C1CCCCC1 534658869 ACFYXGFGHNESCM-YWVIFJGQSA-N 279.428 1.447 0 50 CDAA CCCc1cnc(N[C@H]2CCS(=O)(=O)C2)nc1 823012049 NOLOJKQHWISIDR-JTQLQIEISA-N 255.343 1.028 0 50 CDAA Cc1cccc(C[C@@H](C)NS(=O)(=O)N2CCCC2)n1 821870421 FJENLZIINIJPJU-GFCCVEGCSA-N 283.397 1.251 0 50 CDAA O=c1c2nccnc2ncn1CCn1ccc2ccccc21 584891457 AQWJYGDXZRATDV-UHFFFAOYSA-N 291.314 1.841 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCC2(CO)CCOCC2)n1 584899016 PGJLFBBNHBUXMZ-ZDUSSCGKSA-N 281.400 1.267 0 50 CDAA CNC(=O)c1noc(CN(C)Cc2cc(C)cc(C)n2)n1 670461337 LFZGIFWMVCKEIQ-UHFFFAOYSA-N 289.339 1.073 0 50 CDAA CN1C(=O)[C@@H]2CN(CC3=CC[C@H]4C[C@@H]3C4(C)C)C[C@@H]2C1=O 670470434 USOWXOYMSDBDBQ-FQUUOJAGSA-N 288.391 1.525 0 50 CDAA Cc1cc(C(N)=O)c(N2CCC(N(C)C)CC2)nc1C 670441448 RIKAHOIUWRKLFB-UHFFFAOYSA-N 276.384 1.328 0 50 CDAA Cc1cc(CNC(=O)CCCn2cccn2)cnc1C 670460163 IRJCAJHFZYWWOP-UHFFFAOYSA-N 272.352 1.992 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2cncc(F)c2)[C@H]2CCO[C@H]21 1074600151 GOYFTZITABXUPJ-MROQNXINSA-N 280.299 1.000 0 50 CDAA Cc1cc(CN(C)C[C@@H]2CCN(C)C2(C)C)n[nH]1 670455415 IWIVPJHXZVGUGY-LBPRGKRZSA-N 250.390 1.880 0 50 CDAA Cc1nc([C@H]2OCC[C@H]2CNc2ncc(C)c(C)n2)n[nH]1 685940097 PXXKSVRXJJWYRC-RYUDHWBXSA-N 288.355 1.710 0 50 CDAA CN(Cc1cccnc1)C(=O)N[C@@H]1C[C@]2(C(=O)O)C[C@H]12 1875291633 GPMKFZPQXDSMJZ-JTNHKYCSSA-N 275.308 1.086 0 50 CDAA C[C@H]1CN(CC(=O)NC2CCCCC2)C[C@@H](C)O1 15481751 ADXBCNHKZAXLMY-TXEJJXNPSA-N 254.374 1.545 0 50 CDAA Cc1ccncc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553492823 RUIRWTKYYHCUOD-JSGCOSHPSA-N 260.341 1.023 0 50 CDAA CCn1nc(C)nc1-c1cc(CC(C)C)nc(O)n1 952869236 YWZWSHQLBJRQSM-UHFFFAOYSA-N 261.329 1.968 0 50 CDAA CN1C(=O)c2cc(OCc3ccccc3)cnc2C1=O 91303684 WKVSKFCTAXBLDO-UHFFFAOYSA-N 268.272 1.886 0 50 CDAA in-vitro CC1(S(=O)(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 408459760 JUXGZEXGCWQALS-ZDUSSCGKSA-N 297.376 1.648 0 50 CDAA c1cn2c(CNC[C@@H]3CCc4nccn4C3)cnc2cn1 275500265 JNBSBQLVWZCMBW-LBPRGKRZSA-N 282.351 1.278 0 50 CDAA CN(C)CC1CCC(NC(=O)C2(O)CCC2)CC1 185460666 ZDAFZBXXSUGOMU-UHFFFAOYSA-N 254.374 1.138 0 50 CDAA Cn1ccnc(NC(=O)Nc2cnn(C(C)(C)C)c2)c1=O 170594891 MAULZOUSQGVDKY-UHFFFAOYSA-N 290.327 1.376 0 50 CDAA C[C@H](NC(=O)[C@@H]1COCCO1)c1csc(C2CC2)n1 170626245 CTROPGUYSNUNFH-KWQFWETISA-N 282.365 1.613 0 50 CDAA CC(C)c1nnc2n1C[C@H](NC(=O)C1C[C@@H]3C[C@H]3C1)CC2 667791237 HAUDYIXCSAMZPR-GMXVVIOVSA-N 288.395 1.879 0 50 CDAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN[C@H](C)C2)c1 188459673 URYWPTHNAMHVSU-UGFHNGPFSA-N 274.364 1.619 0 50 CDAA COC1CCN(c2nnc([C@H]3CCCOC3)n2C)CC1 671642226 VQKDXBUXRNDFHL-NSHDSACASA-N 280.372 1.324 0 50 CDAA CC1(C)CC(CC(=O)N2CCO[C@@H](c3ncon3)C2)C1 556720967 JIWAZOWDDCNZOF-LLVKDONJSA-N 279.340 1.796 0 50 CDAA Cc1ccc(Cc2nnn(Cc3noc(C)n3)n2)cc1 190689988 WXWPIGLDLUWKDH-UHFFFAOYSA-N 270.296 1.312 0 50 CDAA C[C@@]1(CO)C[C@@H](O)CN1C(=O)Nc1ccccc1F 585137950 CQVBBIVWSZRUGR-RNCFNFMXSA-N 268.288 1.175 0 50 CDAA CCOC1CC(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)C1 643855844 MCDPYQSZEOISDQ-PQAZSJQKSA-N 279.384 1.987 0 50 CDAA Cc1ccc([C@@H]2CN(CCNC(C)C)CCO2)o1 193479681 WISURLULJPGZMB-AWEZNQCLSA-N 252.358 1.959 0 50 CDAA C[C@@H]1[C@H](O)CCN1c1ccc(S(C)(=O)=O)cc1F 649502182 NUNZIHNWAFLUPD-PRHODGIISA-N 273.329 1.189 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCCCC(=O)N1 193793797 NHHULRRPAOLWGZ-LBPRGKRZSA-N 279.340 1.309 0 50 CDAA CC(=O)c1cc(C(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)ccc1C 194603524 PJKYCHZCTZGOQG-GASCZTMLSA-N 286.375 1.831 0 50 CDAA Cc1cc(CC(=O)N2CCNC[C@H]2c2ccncc2)no1 575980860 GUMKZAWZJXPJPB-AWEZNQCLSA-N 286.335 1.094 0 50 CDAA CCn1ncc(C(=O)N2CCC[C@@H]3C[C@@]32CO)c1C 1615587137 WORUZEXDJPKZOG-BXUZGUMPSA-N 263.341 1.198 0 50 CDAA Cc1ccccc1[C@@H]1CC(=O)N(Cc2cnn(C)n2)C(=O)N1 1615550155 WHMFEYJIVAUPKJ-ZDUSSCGKSA-N 299.334 1.307 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1cc2cccn2cn1 1615547123 NZSLUHYVGNTBHE-UKRRQHHQSA-N 270.336 1.349 0 50 CDAA C[C@H]1NC(=O)N(Cc2ccccc2F)C(=O)[C@@H]1C 1615548296 MDKCYUTUWKDSOJ-RKDXNWHRSA-N 250.273 1.902 0 50 CDAA CCc1nsc(N2CCC(Cc3nncn3C)CC2)n1 1616037397 HZAQUPDGFQCRIO-UHFFFAOYSA-N 292.412 1.688 0 50 CDAA COc1cc(CS(=O)(=O)C/C(C)=C/Cl)on1 899496713 LPSMPXQEDWEKGI-QPJJXVBHSA-N 265.718 1.741 0 50 CDAA C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)c2ccccc2)CCN1C 237585759 ORQWIPGFNICWQT-YUELXQCFSA-N 275.396 1.628 0 50 CDAA O=C(NC[C@H]1CCCO1)[C@H]1CC(=O)N(C2CCCC2)C1 219843 RLNDDYZKYVBPFV-WCQYABFASA-N 280.368 1.073 0 50 CDAA CC[C@@](C)(C(=O)OC)N(Cc1nonc1C)CC1CC1 408524915 YXGLHOSVDGATCK-AWEZNQCLSA-N 281.356 1.932 0 50 CDAA Cc1nn(C)cc1NC(=O)c1ccc2c(=O)n(C)cnc2c1 1529185140 KSOHYIIDJAWFBA-UHFFFAOYSA-N 297.318 1.228 0 50 CDAA CCn1ncc(NC(=O)c2ccnc(-n3cnnc3)c2)c1C 1529106620 QMBGCTKTLWPYSK-UHFFFAOYSA-N 297.322 1.439 0 50 CDAA C[C@@H](Sc1ccc(Cl)cn1)C(=O)N1CCNC1=O 119788515 FZNQPBROQRWZBB-SSDOTTSWSA-N 285.756 1.767 0 50 CDAA CN1CCN(C(=O)COc2ccc(F)c(Cl)c2)CC1 16603672 AUNSNLIHAUGBGD-UHFFFAOYSA-N 286.734 1.632 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2nc(C)cs2)CC[C@@H]1O 1704315426 CYTBQHGMFRQVKX-OUAUKWLOSA-N 284.381 1.244 0 50 CDAA COc1cc(C(=O)O)c(N2CCCC2=O)cc1OC 21968543 IQEAQDYYCKEESH-UHFFFAOYSA-N 265.265 1.529 0 50 CDAA in-vitro Cc1cccc(F)c1S(=O)(=O)N(C)[C@H](C)C(=O)O 262438517 PKBXLJMDYNVDRP-MRVPVSSYSA-N 275.301 1.228 0 50 CDAA CN1CCC[C@@H]1CC(=O)NCc1[nH]nc2ncccc12 1772814426 YLOMIERGQGDEIR-SNVBAGLBSA-N 273.340 1.058 0 50 CDAA OC[C@@]12CNC[C@@H]1CN(CCCOc1ccc(F)cc1)C2 1772710806 WRMMOBREASERSA-CJNGLKHVSA-N 294.370 1.108 0 50 CDAA C[C@@]1(C(=O)NCc2[nH]nc3ncccc23)CCCCO1 1772808511 SEQYMGAKLKYSKV-AWEZNQCLSA-N 274.324 1.533 0 50 CDAA Cn1ccc2c(cnc3nc(-c4ccncc4)nn32)c1=O 12409626 CIFDNSSXVHDZFJ-UHFFFAOYSA-N 278.275 1.038 0 50 CDAA CC(C)(C)CN1C[C@@H](NC(=O)CC(F)(F)F)CC1=O 12429760 VAPCSPWQEVDNIG-QMMMGPOBSA-N 280.290 1.702 0 50 CDAA NC(=O)CC(=O)c1c[nH]c2c(Br)cccc12 169725913 UQAMXAYQFGYJPL-UHFFFAOYSA-N 281.109 1.989 0 50 CDAA CC(C)C[C@@]1(CO)CCCN(c2cncc(N)n2)C1 1857674365 FMONVIUAMBEQCK-AWEZNQCLSA-N 264.373 1.684 0 50 CDAA Cc1nnc2n1C[C@@H](CNC(=O)Cc1ccccc1)C2 1857688631 UKKAIJMIQMEOJB-CYBMUJFWSA-N 270.336 1.118 0 50 CDAA CN1CCO[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]21 153177446 TYMXAHJKOOWRNI-KBPBESRZSA-N 270.336 1.149 0 50 CDAA COc1ncccc1C(=O)Nc1ccc2nn(C)nc2c1 1875239813 XEGBATLTXQQWKL-UHFFFAOYSA-N 283.291 1.624 0 50 CDAA CSCC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709987489 VFTXHCFCAYDUTB-KBPBESRZSA-N 295.404 1.840 0 50 CDAA COc1cccc(CNC(=O)c2c(O)cccc2F)n1 121840927 XVXSSWKLBLQXEI-UHFFFAOYSA-N 276.267 1.865 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2N[C@@H](C)Cn2cccn2)cnn1C 328616411 BPRNEIBPBFOHGG-TUKIKUTGSA-N 289.383 1.433 0 50 CDAA CCn1cc(C(=O)N(C)C[C@H]2CCn3ccnc3C2)cn1 328617004 CGSDWHPMMMUNDG-LBPRGKRZSA-N 287.367 1.434 0 50 CDAA COc1ccccc1C[C@@H](CNC(=O)C1CC1)C(=O)O 237209808 SYSDOYHWWWKPRH-LBPRGKRZSA-N 277.320 1.465 0 50 CDAA Cn1cc(-c2cccc(CN3CC[C@@H](C(N)=O)C3)c2)cn1 362104685 DWQYUNGWTHFUNA-CQSZACIVSA-N 284.363 1.394 0 50 CDAA O=C1CCCCN1[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 370993701 RBQRYALXCNKSPH-LBPRGKRZSA-N 299.378 1.939 0 50 CDAA OC1(CN2CC[C@@]3(C2)OCc2ccccc23)CCOCC1 375214741 LORUVCAFEKZZNR-KRWDZBQOSA-N 289.375 1.659 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@@H]1C(=O)O 262590059 ULEGGFUAJIEIHZ-SDDRHHMPSA-N 285.340 1.036 0 50 CDAA CC[C@H]1COCCN1C(=O)NCCc1ccncc1C 164032952 PUFIITFZJRZELR-AWEZNQCLSA-N 277.368 1.753 0 50 CDAA Cc1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c1C 1704314229 WVIFNQKOLXUNGJ-CABCVRRESA-N 288.391 1.706 0 50 CDAA Cc1cc(F)cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c1 1704324658 CBMMAPDZIFKZHY-WFASDCNBSA-N 292.354 1.537 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@@H]1C(F)F 818027526 YCZAANMJTWGUPR-RKDXNWHRSA-N 290.310 1.862 0 50 CDAA Cc1nc(C2CCN(C(=O)Cc3cnc[nH]3)CC2)[nH]c1C 924323238 CMXJMLGUVSGAOL-UHFFFAOYSA-N 287.367 1.698 0 50 CDAA C[C@H](NC(=O)OC(C)(C)C)c1nnc(C(=O)O)s1 1857783571 YWKBLNRSJUYLAR-YFKPBYRVSA-N 273.314 1.822 0 50 CDAA O=C(O)C1(C(=O)Nc2cn[nH]c2)CCCCCC1 852948930 PLGGWDXALHYRCM-UHFFFAOYSA-N 251.286 1.773 0 50 CDAA COC(=O)c1c(N)nc2n1CC[C@H](C(F)(F)F)C2 1857783917 NJXYFBDYKHPIGS-YFKPBYRVSA-N 263.219 1.377 0 50 CDAA CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@H](O)C12CCC2 1857779288 ABJPQYPGPPJUCI-SDBXPKJASA-N 271.313 1.269 0 50 CDAA CC1(C)CN(C(=O)CCCN)CCN1Cc1ccccc1 236911320 JOGOHBZKAUMCNF-UHFFFAOYSA-N 289.423 1.848 0 50 CDAA O=C(NC1CC1)N1CCO[C@H](c2ccsc2)C1 127835980 LYUSFZXUEFYYDD-NSHDSACASA-N 252.339 1.993 0 50 CDAA C[C@H](O)C(C)(C)NCC(=O)Nc1ccc(F)cc1F 952878201 ZRLAMRQVOVAQLY-QMMMGPOBSA-N 272.295 1.652 0 50 CDAA COc1cc(C(F)(F)F)[nH]c(=NCc2n[nH]cc2C)n1 1875287918 GJRFGIZOGWFXCF-UHFFFAOYSA-N 287.245 1.570 0 50 CDAA CCOC(OCC)[C@H](O)Cn1cc(-c2ccsc2)nn1 1875290209 GPAMPXAIJYKUHV-GFCCVEGCSA-N 297.380 1.767 0 50 CDAA Cc1cc(O)nc2cc(C(=O)N3CCN[C@H](C)C3)ccc12 1875312132 ICAVGYAEFPUNFM-LLVKDONJSA-N 285.347 1.683 0 50 CDAA Cn1nc(O)cc1C(=O)N1CCC(OCC(F)F)CC1 1875312506 NDTGNYGDEQLZOD-UHFFFAOYSA-N 289.282 1.012 0 50 CDAA C[C@@H](NC(=O)/C=C/CN(C)C)[C@H]1CCCN(C2CCC2)C1 1875375670 JALOTOMAJLYXSP-PHGPQXGHSA-N 293.455 1.873 0 50 CDAA CC(=O)N[C@@H](Cc1ccccn1)[C@H]1COc2ccccc2O1 1875321595 OANDSTLGTYTKFA-WMLDXEAASA-N 298.342 1.969 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCCc1cc(C2CC2)on1 1875380705 XCIXMWKKTGQUHB-UHFFFAOYSA-N 291.351 1.245 0 50 CDAA CC(C)c1cc(=NC(=O)N=c2cc(F)n(C)[nH]2)[nH]o1 1875315905 MHBMDZMZKYDXFC-UHFFFAOYSA-N 267.264 1.158 0 50 CDAA Cc1ccnc(N2CCC[C@@](O)(Cc3nncn3C)C2)c1 886065812 WWMNFLBZLFXOPP-OAHLLOKOSA-N 287.367 1.093 0 50 CDAA CC(C)(C)n1cnc(C(=O)N[C@H]2CCCC3(C2)N=N3)n1 1776006838 WYYUPIWZPPNALG-VIFPVBQESA-N 276.344 1.868 0 50 CDAA CCOC[C@@H]1CCN(C(=O)CC2(C(=O)O)CCC2)C1 262441769 CUMIBSPKHAHZKF-LLVKDONJSA-N 269.341 1.516 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(C(=O)O)o1 268907298 ORKBPDAIMSKSNS-PSASIEDQSA-N 253.254 1.019 0 50 CDAA Cc1cc(CN2CCC[C@H]2CN2CCOCC2)ncn1 298231349 HKVJQUFGFVWENX-HNNXBMFYSA-N 276.384 1.082 0 50 CDAA CC(C)(F)CNS(=O)(=O)c1cccc(C(=O)O)c1 634653734 HRCQZGXLDAIKET-UHFFFAOYSA-N 275.301 1.411 0 50 CDAA N[C@@H]1CCN(C(=O)NCCc2ccccc2F)C1 334892322 UHPARNCFMLZBCR-LLVKDONJSA-N 251.305 1.111 0 50 CDAA CC(C)[C@H](O)c1nnc2ccc(C(=O)N3CC(F)C3)cn12 2100556453 OBNKCAABJYZEBM-LBPRGKRZSA-N 292.314 1.213 0 50 CDAA Cn1ncnc1C1(O)CCN(c2ccncc2Cl)CC1 2325789440 QHJCDPHZFYLOBB-UHFFFAOYSA-N 293.758 1.352 0 50 CDAA CC[C@@H](CO)NC[C@@H](O)Cn1c(C)c(C)c2ccccc21 106240 CSEDJBHBLGSNMW-LSDHHAIUSA-N 290.407 1.980 0 50 CDAA Cc1cn(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(C)n1 169774 FFAQEMAFCCOWFP-JTQLQIEISA-N 297.314 1.825 0 50 CDAA Cn1c(=O)cc(Nc2ccc(Cl)cc2)[nH]c1=O 267692 DHJODGLSYSYFJH-UHFFFAOYSA-N 251.673 1.471 0 50 CDAA CCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 314751 CLCSIUJQAWUAGA-UHFFFAOYSA-N 262.309 1.508 0 50 CDAA C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCNC1=O 316461 GBEIJZKCDDUPQQ-DGCLKSJQSA-N 260.337 1.260 0 50 CDAA Cc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)CO2 423099 AHHLKGDLNDYWJJ-UHFFFAOYSA-N 274.320 1.343 0 50 CDAA Cc1cc(OCC(=O)Nc2nnn(C)n2)ccc1Cl 558059 FWEUSQUNVMIQLI-UHFFFAOYSA-N 281.703 1.189 0 50 CDAA Oc1cc(F)c(-c2nc(N3CCOCC3)n[nH]2)cc1Cl 2356134013 SPEHNHHQWAZCMB-UHFFFAOYSA-N 298.705 1.806 0 50 CDAA Cc1ncc(C(=O)Nc2ncn(C)n2)c(-c2ccccc2)n1 2356147710 LCWZUBKEQDWFBI-UHFFFAOYSA-N 294.318 1.833 0 50 CDAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cccn2C)CC[C@H]1O 2356159742 OSURBJXTCZAPHS-IUODEOHRSA-N 294.351 1.103 0 50 CDAA CN(CCCC(=O)O)S(=O)(=O)c1ccc(F)cc1 3415998 HUXSPZKUXFYJSS-UHFFFAOYSA-N 275.301 1.311 0 50 CDAA CN(C)c1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 3878184 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286.310 1.862 0 50 CDAA CCCC[C@@H]1C(=O)N(C)CCN1C1CCN(C(C)=O)CC1 65409490 AMPAXBYDEWVVFD-OAHLLOKOSA-N 295.427 1.330 0 50 CDAA CC[C@H](CNC1CSCCSC1)N1CCOCC1 67714565 QNORZEADUMRSLV-CYBMUJFWSA-N 290.498 1.535 0 50 CDAA O=C(NCCN1CC=CCC1)c1cccc2c1OCCO2 280282249 QKMJKVPRGODODW-UHFFFAOYSA-N 288.347 1.450 0 50 CDAA Cc1ccnc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)n1 252498391 RAYOTIBCFGWTBV-NEPJUHHUSA-N 254.293 1.922 0 50 CDAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1csnn1 151996733 ZXHOVARUPKAFBE-LURJTMIESA-N 266.326 1.676 0 50 CDAA Cc1cc(N2CCCN(C[C@@H]3CCOC3)CC2)ccn1 72161138 ZUPAMLROIQTGSE-HNNXBMFYSA-N 275.396 1.939 0 50 CDAA O=C(NCCc1c[nH]cn1)c1ccccc1[C@H]1CCNC1 72163439 SGGBLYCMLGGADP-LBPRGKRZSA-N 284.363 1.459 0 50 CDAA C[C@@H]1CN(C[C@H](O)COC(C)(C)C)C[C@H](C2CC2)O1 328588931 TYKXEXRPCVAGGK-KWCYVHTRSA-N 271.401 1.662 0 50 CDAA CC[C@@H]1CN(C)CCN1Cc1nnnn1-c1ccccc1 328595724 CMYMPSLUZAPRNE-CYBMUJFWSA-N 286.383 1.188 0 50 CDAA CCN(CC)[C@H]1CCN(C(=O)c2nnc3ccccc3n2)C1 280974448 OUDPXAOIXZZAPV-LBPRGKRZSA-N 299.378 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1.070 0 50 CDAA Cc1nnnn1Cc1ncnn1-c1ccc2c(c1)CCC2 97654098 ONJMOHPPRPPOQW-UHFFFAOYSA-N 281.323 1.099 0 50 CDAA CC[C@H](C(=O)NC(C)(C)C)N(C)Cc1ncc[nH]1 244866588 VYQLCFAOWIVKQH-SNVBAGLBSA-N 252.362 1.535 0 50 CDAA CCCn1cnnc1CN(C)CCn1ccc(C)n1 244734550 NHUMKKDVPJYLGG-UHFFFAOYSA-N 262.361 1.325 0 50 CDAA c1ccc([C@@H]2CCCN2Cc2nc3ncccn3n2)nc1 244796189 RUOPAUQDEQEPMD-ZDUSSCGKSA-N 280.335 1.856 0 50 CDAA Cc1csc(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)n1 299748114 GBXHFPDUNLDZCG-WDEREUQCSA-N 294.376 1.878 0 50 CDAA c1cncc(CN2CCC(O[C@@H]3CCNC3)CC2)c1 252550529 SPIYZFXUSDADLK-OAHLLOKOSA-N 261.369 1.425 0 50 CDAA CC[C@@H](OC1CCCC1)C(=O)N1CCO[C@@H](C(=O)O)C1 299749051 IYWVWMJGBUNASN-VXGBXAGGSA-N 285.340 1.036 0 50 CDAA Cc1ccc(CC(=O)N2CCC3(CC2)C[C@H]3C(=O)O)o1 540674354 OTYIHWZTPZRERV-LBPRGKRZSA-N 277.320 1.844 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[C@@H](N)C2)C1(C)C 299738618 CVWOUGYGGJKVLG-QNWHQSFQSA-N 268.401 1.776 0 50 CDAA CC(C)(C)OC(=O)N1CCOC[C@](O)(C(F)(F)F)C1 261508657 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COc1ccc(C)cc1C(=O)NC[C@@](C)(O)CCCO 670450758 MQPAUZXPPUSKGF-HNNXBMFYSA-N 281.352 1.257 0 50 CDAA O=C(Nc1cnc2ccccc2c1)[C@]1(F)CCNC1 1326750707 GTRNOJQRJUDALJ-AWEZNQCLSA-N 259.284 1.875 0 50 CDAA CCCCS(=O)(=O)NCc1nc2ccc(OC)cc2[nH]1 670443412 RCAJZFJBILNYPK-UHFFFAOYSA-N 297.380 1.791 0 50 CDAA C[C@H]1CC(C)(C)N1S(=O)(=O)N1CCC[C@@H](C)C1 685945222 CWQYPUICXXNHGW-MNOVXSKESA-N 260.403 1.836 0 50 CDAA CCc1nnc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)s1 238901139 LEJGNWYTMKHNJO-AKEJEFCPSA-N 293.348 1.562 0 50 CDAA N[C@@H]1CN(C(=O)NC2CC(F)(F)C2)CC12CCC2 1553478708 KFAFGHRIMCOVTP-SECBINFHSA-N 259.300 1.307 0 50 CDAA COC[C@@H]1CCCN1C(=O)c1cc(CC(C)C)nc(O)n1 952986123 JTWGFDCJOHJTDB-LBPRGKRZSA-N 293.367 1.632 0 50 CDAA C[C@H]1C[C@@H](C(=O)NC2(C3(C)CC3)CC2)CC(=O)N1 408462335 DCJOBXZJBAIFBE-VHSXEESVSA-N 250.342 1.350 0 50 CDAA CCN(CC)C(=O)COC(=O)C[C@@H](CN)CC(C)C 408525687 SBVNBLSTKKDNCT-LBPRGKRZSA-N 272.389 1.409 0 50 CDAA c1ncn(Cc2ccc(-c3noc([C@@H]4CCOC4)n3)cc2)n1 273658710 DQFRZDMOHCVTSY-CYBMUJFWSA-N 297.318 1.880 0 50 CDAA CCC[C@H]1CN(C(=O)c2ccc(O)nc2)C[C@@H]1N(C)C 1565528116 STTLNSGRMMVESX-STQMWFEESA-N 277.368 1.590 0 50 CDAA CCO[C@H]1C[C@H]1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1 268944194 VBVQFGLXAYOVKD-NEPJUHHUSA-N 281.308 1.670 0 50 CDAA Cc1cc(Br)cc(N2C[C@@H](O)C[C@@H](O)C2)n1 892771996 YEJZIHFBPFXLIC-AOOOYVTPSA-N 287.157 1.084 0 50 CDAA Fc1cnc(N2CC[C@@H](Oc3ccccn3)C2)nc1 269450247 DNDZTIBYGKZBEY-LLVKDONJSA-N 260.272 1.668 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)O)O2)C1 91303917 ZNSDOJYTRJPKOY-MRVPVSSYSA-N 257.286 1.240 0 50 CDAA in-vitro Cn1cc([C@H]2OCC[C@@H]2C(=O)NCc2ccsc2)cn1 275374400 YKJVREHORNTOGL-QWHCGFSZSA-N 291.376 1.876 0 50 CDAA CC(C)N(C)C(=O)N1CC(O)(c2ccc(F)cc2)C1 170619188 PEGSSTPTORENFV-UHFFFAOYSA-N 266.316 1.789 0 50 CDAA CC(C)[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N(C)C 633138742 WBBICQMAFYMHLP-LBPRGKRZSA-N 280.324 1.615 0 50 CDAA NC[C@@H]1CN(C(=O)C2CC(c3ccc(F)cc3)C2)CCO1 638170696 HTKKXSMUDXIERC-SSDMNJCBSA-N 292.354 1.505 0 50 CDAA C[C@@H](c1nnnn1C)N1CCO[C@H](c2ccccc2)C1 188716559 WTUYCVVIYNBEHA-AAEUAGOBSA-N 273.340 1.345 0 50 CDAA Cc1ccnc(C(=O)N[C@@H]2CNCC[C@@H]2c2ccccc2)n1 638412000 ULLZBAHHLCDGIP-HUUCEWRRSA-N 296.374 1.661 0 50 CDAA C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)C[C@@H]1NCc2ccccc21 638944330 QQBMATGHXQIGBF-PKIAMQTDSA-N 274.364 1.903 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCc2ccnn2C)C1 643855944 PWWWNZDCLRXZHO-OLZOCXBDSA-N 275.356 1.148 0 50 CDAA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)C1CCC1 585115342 XEQGEWXHHNFOQN-QMMMGPOBSA-N 272.370 1.694 0 50 CDAA Cc1nccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)n1 193007252 RSORIBXJXDRCRZ-UHFFFAOYSA-N 289.295 1.054 0 50 CDAA Cn1nnc(CN2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 193472679 UTAKGCUYWDBPEF-GFCCVEGCSA-N 293.758 1.517 0 50 CDAA O=C(NOCc1cccnc1)C1(C(=O)NC2CC2)CCC1 747166999 IJRLTALYOJLTMK-UHFFFAOYSA-N 289.335 1.078 0 50 CDAA CC(C)c1nnc2n1C[C@H](NC(=O)c1cccn1C)CC2 195255295 XVXGLFHDEJBLAC-LLVKDONJSA-N 287.367 1.485 0 50 CDAA O=C(c1ccncc1)c1ncn(CCO[C@@H]2CC2(F)F)n1 664113938 LUMYGZPVRVZPMQ-SNVBAGLBSA-N 294.261 1.328 0 50 CDAA Cc1cc(COCC(=O)NC2CCC3(CC2)C[C@H]3N)no1 1615547205 SBALRLYFYOZZBZ-GLWUULTISA-N 293.367 1.276 0 50 CDAA Cc1cc2cccc(C(=O)N3C[C@H](O)[C@@H](F)C3)c2o1 1615701162 PMIYNWNXVICYGC-RYUDHWBXSA-N 263.268 1.896 0 50 CDAA C=CC(=O)N[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1 1875370021 XUTXGRHTMYMCQF-SWZMTVOYSA-N 272.320 1.684 0 50 CDAA CCC(CC)(CO)CN(C)C(=O)CCc1cn[nH]c1 1506428873 RDEUTYBEDZPMBA-UHFFFAOYSA-N 267.373 1.599 0 50 CDAA COc1ccc(Cl)cc1/C=C1/NC(=O)NC1=O 72229 SBSCZJBUBPTRGF-VMPITWQZSA-N 252.657 1.529 0 50 CDAA CCc1nc(CN2CCC[C@H](Cn3ccnc3)C2)n[nH]1 1506409349 ZENZSAUHGQIHOI-LBPRGKRZSA-N 274.372 1.476 0 50 CDAA CCc1cccc(OCCN(C)C(=O)c2cc(N)n[nH]2)c1 1506430574 BHKYEYRCPWQWTA-UHFFFAOYSA-N 288.351 1.705 0 50 CDAA Cc1cnc(C)c(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)n1 1529169504 ZZYUSCPFCDHCRI-UKRRQHHQSA-N 284.363 1.528 0 50 CDAA COc1ccc(-c2n[nH]c(=S)n2N)cc1OC 6556077 UVDXESRWIPPBPS-UHFFFAOYSA-N 252.299 1.339 0 50 CDAA in-vitro Cc1cc(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)c(C)o1 237634156 GRNXGOHZPMWYGD-GZMMTYOYSA-N 272.370 1.397 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](O)C[C@H]1C 225360454 YZFUQGGLJKOTCG-PWSUYJOCSA-N 287.356 1.668 0 50 CDAA CC(=O)NCCNc1cncc(Br)c1 157625184 GIQGLZPPWSKMLB-UHFFFAOYSA-N 258.119 1.392 0 50 CDAA CCOc1cccc(Cl)c1Cn1nnn(C2CC2)c1=O 582252574 LBUCIACLTVJTKV-UHFFFAOYSA-N 294.742 1.875 0 50 CDAA O=C1NCCCC[C@@H]1N1CCC(C(F)(F)F)CC1 120827001 RTRVRRHXNFLZNS-JTQLQIEISA-N 264.291 1.929 0 50 CDAA CN(C(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C1CC1 230047226 TWMFMIHXBQWWEX-DRZSPHRISA-N 280.368 1.325 0 50 CDAA Cc1n[nH]cc1-c1nc(-c2ccoc2)n(-c2ccnn2C)n1 1772809648 ZLBXKRMUQMUOBH-UHFFFAOYSA-N 295.306 1.959 0 50 CDAA CSCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 12297425 SVPRVUHHXPEFPX-HNNXBMFYSA-N 296.436 1.601 0 50 CDAA Cc1ccc(C(=O)NCCNC(=O)Nc2cccnc2)cc1 12931491 BVQMMQGFEDBSQP-UHFFFAOYSA-N 298.346 1.942 0 50 CDAA O=C(NCCOCc1ccc(Cl)cc1)c1nc[nH]n1 13118678 FGTLFFYLDJYGTA-UHFFFAOYSA-N 280.715 1.405 0 50 CDAA CCN(CC)C(=O)CSc1nc2ccccc2c(=O)[nH]1 17991716 PZPRVLDOUDCEAH-UHFFFAOYSA-N 291.376 1.884 0 50 CDAA O=C(O)c1cnc2[nH]cc(I)c2c1 206020624 FNQBSSMJOSBURI-UHFFFAOYSA-N 288.044 1.866 0 50 CDAA OC[C@H]1CCN(CCCOCc2ccccc2)C[C@@H]1O 676567052 ATRIZQZVMOEJJG-CVEARBPZSA-N 279.380 1.268 0 50 CDAA CN1CCO[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)C1 112022931 HPHZCGSRRDQGSH-ZDUSSCGKSA-N 273.336 1.228 0 50 CDAA COC1(OC)CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 4228182 SZJMXTBKYMLPTJ-UHFFFAOYSA-N 288.340 1.659 0 50 CDAA in-vitro O=C(c1ccncc1Cl)N1CCOC[C@H]1c1ncon1 331857208 DXPCZBNFKIBIOB-JTQLQIEISA-N 294.698 1.332 0 50 CDAA C[C@@H](CNC(=O)[C@H]1SCCc2ccccc21)C(=O)O 237602682 IWFAXASQHJDFFE-CABZTGNLSA-N 279.361 1.854 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)[C@H]1CN 237658716 PAJKOJOZBGRKPK-GWCFXTLKSA-N 274.368 1.553 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)C[C@@H](C)N1 153396573 BAJHCNVKPKOBNI-BETUJISGSA-N 288.395 1.504 0 50 CDAA C[C@@H]1CC(=O)NCCN1C(=O)c1cncc2ccccc12 371049602 QDWXEKYWYMUFNS-LLVKDONJSA-N 283.331 1.585 0 50 CDAA COC(=O)[C@H]1CC12CCN(C(=O)c1ccccn1)CC2 265062582 NNHNFIYTWFTGRG-LLVKDONJSA-N 274.320 1.497 0 50 CDAA Cc1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](O)C3)c2n[nH]cc2c1 925056335 ULZUOTLPYSTMKR-LEWSCRJBSA-N 285.347 1.857 0 50 CDAA Nc1ccncc1C(=O)N1CCO[C@H]2CCCC[C@H]21 127555333 SXXKBZWDRFXKDD-OLZOCXBDSA-N 261.325 1.447 0 50 CDAA O=C(Nc1nccs1)N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12 1875304319 GZEOHSFLOUOVDY-JBDRJPRFSA-N 253.327 1.282 0 50 CDAA C=CC(=O)N1CCC(C(=O)Nc2ccc3c[nH]nc3c2)CC1 1875369239 COPKFFGVQDOINQ-UHFFFAOYSA-N 298.346 1.926 0 50 CDAA O=C1C(=O)N(CN2C[C@@H](F)C[C@@H](F)C2)c2ccccc21 1875317471 ZOLLZDTWBGQWIM-AOOOYVTPSA-N 280.274 1.555 0 50 CDAA CCC(C)(C)NC(=O)C[C@@H]1OB(O)c2ccccc21 1875368673 JUHBYASQIWTUCS-LBPRGKRZSA-N 261.130 1.140 0 50 CDAA Cc1n[nH]cc1CN[C@H]1CCC[C@H]1Oc1cnn(C)c1 888098519 HOWUXTYYLJMTCU-UONOGXRCSA-N 275.356 1.541 0 50 CDAA C[C@@H](C(=O)O)N1CCC[C@@H](N2CCCCCC2)C1 237485243 MNKMODSDNADTRD-QWHCGFSZSA-N 254.374 1.800 0 50 CDAA COc1ccnc(C(=O)N2CCCC[C@@H]2CC(=O)O)c1 426693634 DAEXLILHQXBPLW-SNVBAGLBSA-N 278.308 1.560 0 50 CDAA CCC(=O)c1cccc(S(=O)(=O)NCc2cocn2)c1 397762886 IVKUXHCXILDSMB-UHFFFAOYSA-N 294.332 1.746 0 50 CDAA CC(C)[C@@H](CNc1cncc(C(=O)O)n1)N(C)C 820694752 HYVXAVNQOHAPSU-SNVBAGLBSA-N 252.318 1.173 0 50 CDAA N=c1[nH]nc(SC(=O)Nc2nccs2)s1 1857800330 AFXVVTHZRPFIMD-UHFFFAOYSA-N 259.341 1.731 0 50 CDAA C[C@H]1OCCN(C(=O)N=c2ccn(C(F)F)[nH]2)[C@@H]1C 2325769495 KAWLUNFGCINBEM-HTQZYQBOSA-N 274.271 1.341 0 50 CDAA CN(C[C@@H]1CCOC1)C1=NC[C@@H](c2ccccc2)N1 2325771449 XCSNIAAFKMRENE-JSGCOSHPSA-N 259.353 1.655 0 50 CDAA CC[C@@](C)(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1nn[nH]n1 2325807393 WWHQBZWMIPOMKL-MISXGVKJSA-N 293.371 1.004 0 50 CDAA CC(C)C(=O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)C 2325811429 ZBZAIDXOKAHVIX-LBPRGKRZSA-N 282.384 1.365 0 50 CDAA COc1ccc(Cl)c(CN2C[C@@H](O)C[C@@H]2CO)c1 225400052 APDWMRDKELUCHH-MNOVXSKESA-N 271.744 1.276 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccco2)S1 89935 TVFJJLYNFOQVCF-LLVKDONJSA-N 267.310 1.455 0 50 CDAA Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3)ccc12 403569 HSLXTZWJAHQHHF-LBPRGKRZSA-N 272.304 1.792 0 50 CDAA O=C(O)CCCCNS(=O)(=O)c1ccccc1 2487669 LMOLNMFWFNINRU-UHFFFAOYSA-N 257.311 1.220 0 50 CDAA Cc1ncc(CN2CCC[C@@]23CCCN(C)C3=O)cn1 2356147235 NMOVZTSSWSLIJR-OAHLLOKOSA-N 274.368 1.372 0 50 CDAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1O 6701342 RBWODPXBEGHYCQ-UHFFFAOYSA-N 284.271 1.939 0 50 CDAA C[C@@H]1CCc2c(sc(NC(=O)CN(C)C)c2C(N)=O)C1 6726974 CYJNPMLOLNHEAK-MRVPVSSYSA-N 295.408 1.472 0 50 CDAA COC(C)(C)C(=O)NCc1cc(C(=O)O)c(C)o1 225461567 DJILFGCHSAMQEG-UHFFFAOYSA-N 255.270 1.327 0 50 CDAA Cc1ccccc1N1C(=O)[C@@H]2[C@@H](O)CCCN2C1=O 225455261 DKTCCVGZCVPQEN-RYUDHWBXSA-N 260.293 1.287 0 50 CDAA CON(CC1CCOCC1)C(=O)c1ccc2nncn2c1 225775621 WUUDMCHEVLMLRP-UHFFFAOYSA-N 290.323 1.160 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 133326900 GFJCDKPLNDQFGV-HNNXBMFYSA-N 275.396 1.572 0 50 CDAA CCOC(=O)Cc1nc(CNc2ccccc2)n[nH]1 26508064 ZXKJHDLKMXHJJA-UHFFFAOYSA-N 260.297 1.522 0 50 CDAA 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IRDROYHGSDMMGE-UHFFFAOYSA-N 287.337 1.335 0 50 CDAA C[C@H](CCC(=O)NCCc1cnn(C)c1)N1CCCC1 426373625 NWYKNTXYVGKGMF-CYBMUJFWSA-N 278.400 1.343 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CC[C@@H](C(=O)O)C1 237021383 CCZFTIYZGLMSST-SECBINFHSA-N 281.283 1.771 0 50 CDAA CN1CC[C@]2(CCN(C(=O)c3ccnc4c3ncn4C)C2)C1 292141404 JIUOREDSCSWSNJ-INIZCTEOSA-N 299.378 1.136 0 50 CDAA CCCc1nnc(N2CCC[C@H](N3CCCC3=O)C2)o1 95374544 NIZPEOQWIHONDU-NSHDSACASA-N 278.356 1.613 0 50 CDAA CC[C@@H](O)Cn1ncnc1CN(C)Cc1cccnc1 91706502 OXOUXRCZWIGHQR-CYBMUJFWSA-N 275.356 1.076 0 50 CDAA CCC[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C(=O)O 91412551 XCLWAWMUYKEJOA-ZYHUDNBSSA-N 264.325 1.896 0 50 CDAA CN(CCc1cnn(C)c1)c1nccc(C(F)(F)F)n1 91391126 GMFIGJAAKBKOPF-UHFFFAOYSA-N 285.273 1.908 0 50 CDAA Cc1ccc([C@@H](C(=O)NCc2cc(C)[nH]n2)N(C)C)cc1 95390081 VRNXBFOYAGELQI-HNNXBMFYSA-N 286.379 1.946 0 50 CDAA CCCc1nc(C)cc(N[C@@H]2CCN(C(C)=O)C[C@H]2O)n1 244673949 HYRNNCAAXKPWCY-CHWSQXEVSA-N 292.383 1.131 0 50 CDAA O=C(N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1)C1CC=CC1 244840282 UKJZTIVVNBKJFG-KKUMJFAQSA-N 278.396 1.208 0 50 CDAA C[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCC(O)CC2)CCC[C@H]1C 245397837 QOZAEMIGMVNJAI-OSFYFWSMSA-N 282.428 1.773 0 50 CDAA CC(C)[C@@]1(CO)CCCN(c2ccc3nncn3n2)C1 295063364 ZFEOHGAQFCGKDY-AWEZNQCLSA-N 275.356 1.359 0 50 CDAA CN1CCCC[C@H]1CN1CCC(c2nnc[nH]2)CC1 243893005 ANJNSDVIPKNAPN-ZDUSSCGKSA-N 263.389 1.468 0 50 CDAA CCN1C[C@H](NC(=O)COCc2ccccc2)[C@@H](OC)C1 534647895 IATGIQDROHPUGG-GJZGRUSLSA-N 292.379 1.039 0 50 CDAA O=C(NCC1CCN(CC2CC2)CC1)c1ccon1 620929007 VSUFRRQGMFODCJ-UHFFFAOYSA-N 263.341 1.526 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@@H](C)c2nc(C3CC3)no2)o1 299792313 GAMVDVFSKMNRPY-QMMMGPOBSA-N 289.291 1.700 0 50 CDAA Cc1cn(CCNc2cc([C@@H]3CCOC3)nc(C)n2)nn1 299791543 GXWQGUYHIDQKJI-GFCCVEGCSA-N 288.355 1.301 0 50 CDAA O=C(NCCOCCO)c1cccc(-c2ccncc2)c1 299775796 JVNHYTNIDQTEIV-UHFFFAOYSA-N 286.331 1.487 0 50 CDAA O=C(NCCc1nc2ccccc2o1)[C@H]1CCOC1 299769345 MKHABAKAHFPMSM-JTQLQIEISA-N 260.293 1.523 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(C(=O)C2CC2)CC1 641983595 CGRNSDLMAAWCQH-AEGPPILISA-N 290.407 1.894 0 50 CDAA Cc1cccc(C[C@H](C)NC(=O)CN2CCCCC2=O)n1 299773889 FPYOUZVZDHDANE-ZDUSSCGKSA-N 289.379 1.450 0 50 CDAA CCc1noc([C@H](C)NC(=O)CSc2ncccn2)n1 823569259 AELYRXPZPCUVFZ-QMMMGPOBSA-N 293.352 1.392 0 50 CDAA CN1CCC[C@H](NS(=O)(=O)CCOc2ccccc2)C1 823770628 NMXBCZSWGMVJTR-ZDUSSCGKSA-N 298.408 1.079 0 50 CDAA COC(C)(C)C[C@@H](C)NCC1(CN2CCN(C)CC2)CC1 824250069 CJZHXCJMUFNZLM-OAHLLOKOSA-N 297.487 1.807 0 50 CDAA COc1cccc2ncn(Cc3snnc3C)c(=O)c12 584901027 YSXAMXZHGPDEKG-UHFFFAOYSA-N 288.332 1.613 0 50 CDAA Cc1ccc([C@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 670416145 RMPVFAJZFXWGAD-SECBINFHSA-N 269.308 1.424 0 50 CDAA Cc1nc2ncccn2c1C(=O)NCc1cncn1C1CC1 670454076 BDDRKKQLBAQPGJ-UHFFFAOYSA-N 296.334 1.499 0 50 CDAA C[C@@H]1Cn2nc(C(=O)Nc3cccnc3)cc2CN1 1343340216 OUFKUMIOQXXHDN-SECBINFHSA-N 257.297 1.022 0 50 CDAA CCN(CCn1cccn1)C(=O)c1ccncc1F 952964899 AQQWMMUGXRUSNE-UHFFFAOYSA-N 262.288 1.580 0 50 CDAA CN1CCC[C@@H]1CN1CCN(c2ccc(O)cc2)CC1 244716100 LIKVMRKHROAGKU-OAHLLOKOSA-N 275.396 1.608 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCc2ccnn2C)C1 1548952380 PWWWNZDCLRXZHO-CHWSQXEVSA-N 275.356 1.148 0 50 CDAA CC(C)[C@@H](NC(=O)[C@@H]1CCCCC(=O)N1)C1(CO)CCC1 408524080 XKVUBAQDLIRZPH-GXTWGEPZSA-N 296.411 1.349 0 50 CDAA Cc1cnc(CN=c2nc(CC(C)C)[nH]s2)nc1 408523276 IJAUIIZBZGEULE-UHFFFAOYSA-N 263.370 1.869 0 50 CDAA O=C1CN([C@H]2CCOC2)CCN1Cc1ccccc1F 952868197 DLWXASSVNXSFOF-ZDUSSCGKSA-N 278.327 1.259 0 50 CDAA Cn1cccc1-c1cc(C(=O)N2CCn3cccc3C2)n[nH]1 952975295 XFAMJXZDGKCSTL-UHFFFAOYSA-N 295.346 1.873 0 50 CDAA COCCN1C[C@H](c2ccc(OC)cc2)[C@@H](NC(C)=O)C1 1565514234 GGKYUERKSVZAOS-CVEARBPZSA-N 292.379 1.246 0 50 CDAA Nc1nc(CCCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cs1 1565517205 LAWNJQCHVBCWQK-BDAKNGLRSA-N 297.380 1.275 0 50 CDAA CCN(CCC(=O)OC)C(=O)c1ccc(F)cc1O 164308547 PEZWTCKVZJRQCC-UHFFFAOYSA-N 269.272 1.557 0 50 CDAA CC(=O)c1ccc(NC(=O)[C@H]2CCCC(=O)N2)cc1C 271185891 VDNCTBZFGFNSEQ-CYBMUJFWSA-N 274.320 1.805 0 50 CDAA C[C@H](N)CCNC(=O)c1ccc(-c2cncnc2)cc1F 515842320 XPGIBPLEBKHYMG-JTQLQIEISA-N 288.326 1.750 0 50 CDAA Cc1cc(S(=O)(=O)NC(C)(C)CN)sc1Cl 188454780 XQXSQXAHMBUTPV-UHFFFAOYSA-N 282.818 1.726 0 50 CDAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1c[nH]nc1C 190430084 DDUDJCMXIUSSIK-KBPBESRZSA-N 289.383 1.944 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)COCC2CC2)n1 671596283 LBWJILOWXZVWQA-RNCFNFMXSA-N 295.339 1.093 0 50 CDAA CC(C)[C@@H]1CN(c2ccc(S(C)(=O)=O)cn2)CCCO1 645066373 VVBQHCBRGJKTTO-ZDUSSCGKSA-N 298.408 1.736 0 50 CDAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Cc1cccc(Cl)c1 194282355 BDDAUIXRVHLSPG-NOZJJQNGSA-N 280.755 1.523 0 50 CDAA Cc1ccc(CN2C[C@@H](O)C[C@H]2CO)cc1Cl 194722203 VGGNZICVHOREFP-RYUDHWBXSA-N 255.745 1.576 0 50 CDAA O=C(O)CC1(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CCOCC1 659125757 DGEUEHAMPINGJE-FRRDWIJNSA-N 293.363 1.729 0 50 CDAA CC(C)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 662334947 FALCFTUMINEMJN-ZDUSSCGKSA-N 277.416 1.407 0 50 CDAA NCCc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 94440582 NCSRZYPYRWMPGG-QGZVFWFLSA-N 273.424 1.858 0 50 CDAA C=CC(=O)NC1CCN(C(=O)c2ccccc2F)CC1 791320654 CNYVLMJVLCEQJZ-UHFFFAOYSA-N 276.311 1.733 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1ocnc1C1CC1 630176114 NDMYVTSGIJNJQF-QMMMGPOBSA-N 250.254 1.241 0 50 CDAA CCNC(=O)[C@@H](C)NS(=O)(=O)CCC1CCCCC1 451009604 PRDRRPSECHMWIV-LLVKDONJSA-N 290.429 1.401 0 50 CDAA COCCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@H]2C1 240744121 HURWXXNARSEGHZ-FRRDWIJNSA-N 271.357 1.065 0 50 CDAA CN(C[C@H]1Cc2ccccc2O1)c1n[nH]c(=N)s1 1857670931 IWGJBLXBULHBTJ-SECBINFHSA-N 262.338 1.391 0 50 CDAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1cnsc1 1857702921 INFLAVMATVEQRJ-RYUDHWBXSA-N 281.381 1.126 0 50 CDAA COc1ccccc1CN1CC[C@@H](N2CCOCC2)C1 121062323 VYURPSICDREIIN-OAHLLOKOSA-N 276.380 1.602 0 50 CDAA CN(C)Cc1nnc(N2CCc3ccccc3C2)o1 1772707677 SUBPUKQBGPSAGB-UHFFFAOYSA-N 258.325 1.694 0 50 CDAA CC[C@@]12C[C@@H]1CN(c1nnnn1-c1ccccc1)C2 1772817723 VRRDEMUJJGOBDI-RISCZKNCSA-N 255.325 1.899 0 50 CDAA C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(C)CC1 12380606 KYAMZQAFIBNJJN-LLVKDONJSA-N 280.343 1.803 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)Nc2cccnc2)c1 16527320 HEOWURQDWKQHAU-UHFFFAOYSA-N 278.289 1.581 0 50 CDAA COc1ccccc1NC(=O)C(=O)NCc1ccncc1 17360725 YOLZKXJQVNRHKM-UHFFFAOYSA-N 285.303 1.345 0 50 CDAA N=C1NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S1 18275902 GYFPHRSBRZDSET-QMMMGPOBSA-N 283.740 1.835 0 50 CDAA C[S@](=O)c1nc(N)c(Br)c(Cl)n1 164911693 OKCBVYPRVWJFRT-GFCCVEGCSA-N 270.539 1.212 0 50 CDAA in-vitro Cc1cc(N2CCN([C@@H]3CCC(C)(C)C3)CC2)nc(=N)[nH]1 1857677568 IHJBQFXGTHIAPQ-CYBMUJFWSA-N 289.427 1.898 0 50 CDAA O[C@]1(Cn2ccnc2-c2cc(F)ccc2F)CCNC1 1857731018 HWCCEAONXUQPHM-CQSZACIVSA-N 279.290 1.553 0 50 CDAA CCN(CC)C(=O)[C@]1(N)CCc2c(OC)cccc21 911916286 TZCMSEJPFOIVEZ-HNNXBMFYSA-N 262.353 1.664 0 50 CDAA O=C1C[C@H](c2ccc(-c3cnc4nccn4c3)cc2)CN1 1875247154 YAGHFFUTGZQVCM-ZDUSSCGKSA-N 278.315 2.000 0 50 CDAA Cc1cnc(C2=N[C@](C)(C(C)C)C(=O)N2)c(C(=O)O)c1 6069852 PVSGXWMWNRGTKE-CQSZACIVSA-N 275.308 1.379 0 50 CDAA in-vitro CCc1ccnc(C(=O)N(CCOC)[C@H]2CCOC2)c1 331009465 UXFOAZHAYKEILL-ZDUSSCGKSA-N 278.352 1.522 0 50 CDAA Cc1ncsc1C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 659198928 ADSFSOKZXNAVPN-UHFFFAOYSA-N 294.336 1.720 0 50 CDAA COC(=O)C1(C(=O)NCc2nc3cc(F)ccc3[nH]2)CC1 134709154 GTYQEYNMVYKMRW-UHFFFAOYSA-N 291.282 1.271 0 50 CDAA COC(=O)c1n[nH]cc1NC(=O)c1cccc2cnccc12 356882132 NSPBMRRNSBDSAC-UHFFFAOYSA-N 296.286 1.997 0 50 CDAA C[C@H](Cn1cccn1)NC(=O)c1cc2c(cn1)OCCC2 360508758 CWOXRQHSURSJBK-LLVKDONJSA-N 286.335 1.422 0 50 CDAA Cc1nc([C@H](C)N2CCN(Cc3cncs3)CC2)no1 931358763 FGDYBSAWYYHJKR-JTQLQIEISA-N 293.396 1.713 0 50 CDAA Oc1nc(CN2CCn3ccnc32)nc2ccsc12 931524150 NDOGQFLKWJPAPR-UHFFFAOYSA-N 273.321 1.614 0 50 CDAA Cc1ccccc1C1(NC(=O)C2=NNC(=O)C2)CCC1 846289822 AMZNMQDZGAJLEO-UHFFFAOYSA-N 271.320 1.366 0 50 CDAA CCn1ccnc1[C@H](C)NCc1cnn2c1CN(C)CC2 952890127 UNASKVBRCOQHGK-LBPRGKRZSA-N 288.399 1.396 0 50 CDAA O=C(Nc1cnsc1)c1cc(O)nc(C2CC2)n1 1875270987 UIPAJTGORYBAFF-UHFFFAOYSA-N 262.294 1.768 0 50 CDAA CN(Cc1cc(O)nc(O)n1)c1cc(C2CC2)[nH]n1 1875272446 POFJSLNBZPCLAH-UHFFFAOYSA-N 261.285 1.125 0 50 CDAA Cc1ccccc1[C@]1(C)C[C@@H]1NC(=O)[C@@H](O)C(C)(C)N 1875319694 NZGGNXHBVNSOIQ-ZENOOKHLSA-N 276.380 1.239 0 50 CDAA O=C(COC(=O)C1CCCC1)Nc1ccc(F)cn1 1875322940 PDVFGMCQDLXPDR-UHFFFAOYSA-N 266.272 1.893 0 50 CDAA Cc1noc(COC2CN([C@H](C)c3ccccn3)C2)n1 886096845 HNOSNLRUESLACY-SNVBAGLBSA-N 274.324 1.735 0 50 CDAA Nc1ccc([C@H]2CCCN2CCn2cccn2)nn1 886079950 FOMJTZMMJNHNQP-GFCCVEGCSA-N 258.329 1.092 0 50 CDAA COc1nccnc1CN1CC[C@H](c2noc(C)n2)C1 896233856 XTCJOWUNWKCJEX-JTQLQIEISA-N 275.312 1.166 0 50 CDAA Cc1noc(C)c1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 1775957617 DQPUDBBFHFOQRA-NWDGAFQWSA-N 290.323 1.744 0 50 CDAA CSc1ccc(C(=O)NCC2(CO)CCOCC2)cc1 151499166 JHVBCIDGZYQGMR-UHFFFAOYSA-N 295.404 1.927 0 50 CDAA CN1CCC(Nc2ccccc2-n2cnnn2)CC1 32592896 DVOAAIFGSHHRHD-UHFFFAOYSA-N 258.329 1.168 0 50 CDAA O=C(O)[C@H]1COCCN1C[C@@H]1CCOc2ccccc21 162043137 KSFZAPLEFOIPNS-WCQYABFASA-N 277.320 1.338 0 50 CDAA CC(C)C[C@@H](CNC(=O)[C@]1(C)CC1(F)F)C(=O)O 263283561 XRONKJRQEPJDPW-KWQFWETISA-N 263.284 1.895 0 50 CDAA Cc1occc1C(=O)NCC1(CC(=O)O)CCOCC1 621594213 QMQHWWXBTNOQFZ-UHFFFAOYSA-N 281.308 1.589 0 50 CDAA COCCC1CCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 625630740 LQFIMJUMJMULFU-CQSZACIVSA-N 289.441 1.560 0 50 CDAA CC[C@]1(O)CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 495244484 UWSUEXNQVWBIHZ-CTASWTNQSA-N 282.428 1.774 0 50 CDAA CNc1ccccc1CN1CCC[C@H](S(C)(=O)=O)C1 1232673240 WBWYQAOMIWNYEA-ZDUSSCGKSA-N 282.409 1.737 0 50 CDAA COc1nc(C(=O)N2CCCc3ccccc3C2)nn1C 2100534651 RQPLFJCPKBEDGA-UHFFFAOYSA-N 286.335 1.412 0 50 CDAA CO[C@@H]1COC[C@@H]1NC(=O)C1CC(C)(c2ccccc2)C1 2325796423 PGXHMLUDPNAEBV-WSYIQSFVSA-N 289.375 1.884 0 50 CDAA O=C(NOCc1cccnc1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 935016497 JQBROMRHBCMTAN-FHUSYTEZSA-N 260.293 1.053 0 50 CDAA O=C(O)C[C@H](Cn1nnnc1S)c1ccccc1 39088 XYIQNAQIJIAQFL-SECBINFHSA-N 264.310 1.220 0 50 CDAA CC(C)S(=O)(=O)c1cnc(-c2cccnc2)nc1N 124879 FLVASRDRMAICRG-UHFFFAOYSA-N 278.337 1.303 0 50 CDAA COc1ccc2[nH]cc(CCNS(C)(=O)=O)c2c1 185518 YUZGTTZTAFTMPQ-UHFFFAOYSA-N 268.338 1.268 0 50 CDAA biogenic CC(C)C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O 186522 FLJPDKBVKGRHQC-LLVKDONJSA-N 271.338 1.464 0 50 CDAA CC(C)OC(=O)N(c1ccccc1)S(C)(=O)=O 400493 HNYNOZHIYOODSN-UHFFFAOYSA-N 257.311 1.998 0 50 CDAA O=C1CN(c2ccc(Br)cc2)C(=O)N1 436451 BEUPYBUWLGLKSM-UHFFFAOYSA-N 255.071 1.505 0 50 CDAA CC(C)CCN(CCC(C)C)C(CO)(CO)CO 2334905 FBEJXAVMTLUBOC-UHFFFAOYSA-N 261.406 1.096 0 50 CDAA Cc1cccc(NC(=O)C[C@@H]2SCCNC2=O)c1 2443929 BOLKFSMQXORQAR-NSHDSACASA-N 264.350 1.555 0 50 CDAA Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 2487602 GDZYTNDTKOAWSN-UHFFFAOYSA-N 252.295 1.340 0 50 CDAA CCOC(=O)COc1cc(=O)n(CC)c2ccccc12 2493942 KDPRPGPRGMVHEA-UHFFFAOYSA-N 275.304 1.963 0 50 CDAA CCOC1CN(C(=O)Cc2ccc(OC)cc2F)C1 341205802 LXMOXSOBRQLBQV-UHFFFAOYSA-N 267.300 1.624 0 50 CDAA COC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21 2841312 NNSWOPOEJWJDIA-UHFFFAOYSA-N 298.092 1.151 0 50 CDAA O=C(O)COc1cccc(NC(=O)[C@@H]2CCCO2)c1 4195726 PYWWEMCYENINNJ-NSHDSACASA-N 265.265 1.268 0 50 CDAA CCCNC(=O)NCCCCCCNC(=O)NCCC 4774879 BDEPFTNBDCPMRD-UHFFFAOYSA-N 286.420 1.965 0 50 CDAA Cc1nc2ccccc2c2c1C(=O)N(CCO)C2=O 6280237 IXAMXLQXEAPGKI-UHFFFAOYSA-N 256.261 1.132 0 50 CDAA O=C(CCC(=O)NC1CCCC1)NCc1ccccn1 55099199 QUPFCLMKJJUSBV-UHFFFAOYSA-N 275.352 1.537 0 50 CDAA CCC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 58027433 XCOSYHJKOVQAEF-NSHDSACASA-N 290.429 1.353 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 100149592 NQFMEKCHBQAPAY-VDUILEQBSA-N 285.299 1.920 0 50 CDAA O=C(O)c1cc([S@](=O)O)ccc1Br 306992818 XLHPQYZGRREVEP-UHFFFAOYSA-N 265.084 1.728 0 50 CDAA CCCN1CCN(C)C2(CCN(C(=O)CCOC)CC2)C1 67642806 IBSBMRVVHXMIMW-UHFFFAOYSA-N 297.443 1.042 0 50 CDAA CCN(c1cccnc1C)S(=O)(=O)c1c(C)cnn1C 351392689 AEFNIUWRLNQMHM-UHFFFAOYSA-N 294.380 1.647 0 50 CDAA Cn1nc(-c2ccco2)cc1NC(=O)c1nccnc1N 252495552 OTFYRUIKNILRGG-UHFFFAOYSA-N 284.279 1.305 0 50 CDAA CCOc1ccc([C@@H]2C=C(C(=O)O)NC(=O)N2)cc1 1396115 ABGBEPHREKEDJQ-JTQLQIEISA-N 262.265 1.408 0 50 CDAA COCCc1ccc(OC[C@H](O)CNC(C)C)cc1 1530718 IUBSYMUCCVWXPE-CQSZACIVSA-N 267.369 1.613 0 50 CDAA biogenic,fda COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 252516984 YORBZLJGNOPGMH-RMPHRYRLSA-N 282.336 1.542 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N[C@H](CCO)c2ccccc2)O1 252511836 LCLWCGNSFDIGKP-MRVWCRGKSA-N 263.337 1.794 0 50 CDAA COCc1cccc(CC(=O)N[C@@H]2CCCN[C@@H]2C)c1 423616351 RYAGPPLHFREROH-IUODEOHRSA-N 276.380 1.632 0 50 CDAA Cc1sc2ncn(CCN3CCNC3=O)c(=O)c2c1C 32523786 QZELZNXWPJBOSQ-UHFFFAOYSA-N 292.364 1.100 0 50 CDAA COc1cc(C)ccc1OCCNCCN(C)C 20418801 DFGAFTUNQFDETB-UHFFFAOYSA-N 252.358 1.534 0 50 CDAA CN(CC(=O)O)C(=O)[C@H]1CCCCN1Cc1ccccc1 153114780 VZOCFRSSIAAKNR-CQSZACIVSA-N 290.363 1.584 0 50 CDAA Cc1cccc(-n2cc(C(=O)N3C[C@@H](C)N[C@H](C)C3)nn2)c1 153680045 AVTYMNGUWRNUGD-CHWSQXEVSA-N 299.378 1.398 0 50 CDAA Cn1ccnc1Cn1ccnc1[C@H](O)c1ccccc1 154766183 WQOZJLACJUTOIJ-CQSZACIVSA-N 268.320 1.747 0 50 CDAA CC(C)c1nnc(/C=C/C(=O)N2C[C@H](O)C3(CC3)C2)o1 364447058 GZFIOYXVWHNZIV-FSIBCCDJSA-N 277.324 1.190 0 50 CDAA OC[C@@]1(O)CCCN(Cc2noc(-c3ccccc3)n2)C1 72143129 AOZYJCMHFKSFLT-OAHLLOKOSA-N 289.335 1.056 0 50 CDAA Cc1cc(F)c(S(N)(=O)=O)c(Br)c1 36533152 NIDDSGOCFRUJMJ-UHFFFAOYSA-N 268.107 1.544 0 50 CDAA CCc1nc(CS(=O)(=O)c2ccc(Cl)cn2)n[nH]1 125071728 VQBOLYVETVGZAG-UHFFFAOYSA-N 286.744 1.389 0 50 CDAA CN(C)c1cc2c(nn1)CCN(C(=O)C(C)(C)C)C2 365314718 HTALMHHEZAIDMP-UHFFFAOYSA-N 262.357 1.473 0 50 CDAA CN(C)c1ncccc1CNC1CCC2(CC1)OCCO2 155129580 JTZBPGZTHAEYQA-UHFFFAOYSA-N 291.395 1.923 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC[C@@](O)(CO)C2)cc1C 72174004 VZOPNLOZUNDHLE-INIZCTEOSA-N 277.364 1.571 0 50 CDAA Cc1cc(C(=O)N2CCN(c3cccnn3)CC2)ccn1 332393966 SDJGAMRKXLADEB-UHFFFAOYSA-N 283.335 1.142 0 50 CDAA Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](O)CO3)cc2)n1 77488680 GWVLDBQZGFUUJB-CQSZACIVSA-N 287.319 1.237 0 50 CDAA C[C@H]1CN(CCc2ccc(F)c(F)c2)CC(=O)N1 336297676 AADMWQJJSDFWQV-VIFPVBQESA-N 254.280 1.328 0 50 CDAA C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCC(=O)O 262139341 LSDUYWSPGQXJGX-JTQLQIEISA-N 293.323 1.178 0 50 CDAA CC(C)OC(=O)[C@@H](NC(=O)[C@@H]1CCCOC1)C(C)C 452882341 XYCHVGWDHNPSMI-NEPJUHHUSA-N 271.357 1.505 0 50 CDAA O=C(c1ccncc1Cl)N1CCC[C@H](n2ccnn2)C1 333603389 QUBKFYUPAJFRDK-JTQLQIEISA-N 291.742 1.804 0 50 CDAA CO[C@@H](C)C(=O)N1CCN[C@H](c2cccc(Cl)c2)C1 334199671 MRYIKNZMXUZQFF-GWCFXTLKSA-N 282.771 1.848 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)Cc1cccc(F)c1F 129421179 GVPMBDZXQRDCPF-SNVBAGLBSA-N 299.273 1.209 0 50 CDAA Cc1ccc(SCC(=O)N[C@@H]2CCSC2=O)nc1 173330098 QQFZKTOJYMUIQA-SECBINFHSA-N 282.390 1.630 0 50 CDAA CN1C(=O)C[C@@H](NCC2=CCCC2)[C@@H]1c1ccnn1C 606445142 DMGZBADXJIASHM-IUODEOHRSA-N 274.368 1.392 0 50 CDAA CN(CCN1CCOC1=O)[C@@H]1Cc2ccccc2[C@H]1O 241590507 PFKVXLHPNBMHBA-ZIAGYGMSSA-N 276.336 1.029 0 50 CDAA Cc1cc(=NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)[nH][nH]1 608353696 YWHILBILXKAICB-UHFFFAOYSA-N 299.309 1.646 0 50 CDAA O=C1C[C@]2(CCN(C/C=C/c3ccc(F)cc3)C2)C(=O)N1 82107355 SRBIRIKOXQRXRJ-PYKQWIPUSA-N 288.322 1.578 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccn(C)c1C)C2 426529206 FSSPJTIVRLZJTF-IMRBUKKESA-N 262.353 1.831 0 50 CDAA Cc1ccc(CN=c2cc([C@@H]3CCOC3)[nH]c(=N)[nH]2)o1 426412755 QRGZHJFSGWGCPS-SNVBAGLBSA-N 274.324 1.328 0 50 CDAA Cn1c(Sc2cnccn2)nnc1[C@@H]1CCCNC1 426409234 FZKDPYIGSPITGP-SECBINFHSA-N 276.369 1.223 0 50 CDAA N[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@@H]1C1CC1 91624808 ZIEBFFWYHUXXNC-KGLIPLIRSA-N 269.348 1.977 0 50 CDAA Cc1c[nH]c(CN(C)C(=O)[C@H]2CCCCCN2C)n1 91535072 JGXYGGPWGDEONK-GFCCVEGCSA-N 264.373 1.551 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2ccc(-n3cc(C)cn3)cc2)C1 178982056 DJCXWAORGDAWSU-AWEZNQCLSA-N 298.390 1.862 0 50 CDAA Cc1cc(C)n(CCNC(=O)[C@@H]2COc3ccccc3C2)n1 95516723 CGLODJABGNPIJK-HNNXBMFYSA-N 299.374 1.867 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@]3(CCOC3)C2)on1 91746141 DUHKOSPGLDZNGC-AWEZNQCLSA-N 264.325 1.555 0 50 CDAA CCn1cnnc1Cn1c(C)cc(=O)c2ccccc21 95353976 HXLNIMVVKUKDJL-UHFFFAOYSA-N 268.320 1.970 0 50 CDAA CN(C)C(=O)CCc1ncnn1C1CCCCC1 91931362 DTASZKXVGSIJPG-UHFFFAOYSA-N 250.346 1.804 0 50 CDAA C[C@@H](C1CCN(c2nccnc2N(C)C)CC1)N(C)C 96140841 ATVGLRMCINFPLR-LBPRGKRZSA-N 277.416 1.709 0 50 CDAA CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 245483427 FLDZITUCXSPYRS-KXNHARMFSA-N 250.342 1.160 0 50 CDAA CCN1C[C@H](C(=O)N2CCC[C@H]3CCC[C@H]32)CC1=O 246746015 JHVMCSHURDZSOJ-JHJVBQTASA-N 264.369 1.646 0 50 CDAA COC(=O)COCC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 295395651 GMTVPLCFQBSERL-ZYHUDNBSSA-N 293.319 1.205 0 50 CDAA CC(C)c1nnc2n1C[C@@H](NC(=O)N1CCCC1)CC2 181736514 VZWROZGJQAFYBA-NSHDSACASA-N 277.372 1.522 0 50 CDAA CC[C@@H](CO)NCc1cn(-c2ccc(F)cc2)nn1 623336448 OXDYLBREXYRSKM-NSHDSACASA-N 264.304 1.267 0 50 CDAA Cn1ccnc1C(=O)NC[C@@H]1CCN(C2CCCCC2)C1 252478847 AVXZPFUVPREEMK-ZDUSSCGKSA-N 290.411 1.805 0 50 CDAA CCN(CCn1cccn1)C(=O)NCCCn1cccc1 534662707 IYZUOGJQOQJPKT-UHFFFAOYSA-N 289.383 1.806 0 50 CDAA CCN(Cc1ccncc1)C(=O)NCCc1ncc[nH]1 534662468 ZQSVSXSOTPYEKC-UHFFFAOYSA-N 273.340 1.579 0 50 CDAA CCc1nc(CCNC(=O)c2csc(=N)[nH]2)cs1 534653733 QKDLKPRNRLFLMO-UHFFFAOYSA-N 282.394 1.547 0 50 CDAA O=C(NCc1cc[nH]n1)c1ccc2c(c1)CCCO2 534578271 ZHWCCIVGMBGJIK-UHFFFAOYSA-N 257.293 1.665 0 50 CDAA Cc1ccnc(Sc2nnc(C3CCNCC3)n2C)n1 265463329 AQJIJKALYSSIHP-UHFFFAOYSA-N 290.396 1.532 0 50 CDAA CCN(CC(F)(F)F)C(=O)NCc1cncn1CC 534646603 JXXDBMZFUDGRDT-UHFFFAOYSA-N 278.278 1.997 0 50 CDAA COCC1(N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 617473801 OOJSRQPCRQPAIN-NSHDSACASA-N 282.384 1.271 0 50 CDAA COC(=O)C[C@@H](c1c(O)cc(C)n(C)c1=O)C(C)C 824134577 NZGSGKPHQMYEBK-SNVBAGLBSA-N 267.325 1.702 0 50 CDAA biogenic O[C@H]1CCCN(CCCNc2nccc3cccnc23)C1 828627374 IVAMXKDZZJXPBM-AWEZNQCLSA-N 286.379 1.889 0 50 CDAA O[C@H]1CON(Cc2cnn(-c3ccccc3F)c2)C1 828644035 WVVRBCWIGNKQQP-LLVKDONJSA-N 263.272 1.120 0 50 CDAA CCc1ncc(CN2CCO[C@@H](CCOC)C2)cn1 824384174 XUVJJSBDJFKTCE-ZDUSSCGKSA-N 265.357 1.276 0 50 CDAA Cc1ccc(C(=O)NS(=O)(=O)C2(Cl)CC2)c(F)c1 585135951 KHYWTASZZCPJEI-UHFFFAOYSA-N 291.731 1.923 0 50 CDAA C(Cc1noc(C2CC2)n1)NC1CSCCSC1 584886452 SLFGMXCNZQZNJH-UHFFFAOYSA-N 285.438 1.928 0 50 CDAA C[C@H](Cn1cccn1)NCCCn1ccccc1=O 670438660 JUELQOWZNPCYLJ-CYBMUJFWSA-N 260.341 1.113 0 50 CDAA Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)no1 239235387 VWKLZYXQRUKODN-FSZOTQKASA-N 276.292 1.835 0 50 CDAA Nc1ccc(S(=O)(=O)Nc2cnc3ccccn23)cc1 45067947 FELKSNGTZPONJW-UHFFFAOYSA-N 288.332 1.717 0 50 CDAA Cc1cc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)nn1C 239125173 KAUMZUIINAYFKC-GAIPPQHRSA-N 277.324 1.414 0 50 CDAA Nc1nc(N)nc(NCCC2CCC(F)(F)CC2)n1 1434451047 QDKGTWHGJONSIQ-UHFFFAOYSA-N 272.303 1.664 0 50 CDAA N[C@H](c1ccsc1)C1(O)CCC2(CC1)OCCO2 958528794 VJSAHLCVQPJVOW-LLVKDONJSA-N 269.366 1.796 0 50 CDAA CCc1ccc(NC(=O)N2C[C@@H](O)[C@H](F)C2)cc1 952872240 LYAVZVPOQSAWPX-VXGBXAGGSA-N 252.289 1.796 0 50 CDAA CC(C)Oc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1 268933940 ZRJYDTMDODCHHE-OLZOCXBDSA-N 277.320 1.811 0 50 CDAA Cc1ccc(CCC(=O)N2CCOC[C@H]2C(=O)O)c(C)c1 268993866 UUOAQIBUFJSDAI-AWEZNQCLSA-N 291.347 1.548 0 50 CDAA C[C@H](O)[C@H]1CCN(C(=O)NCc2cccc(C(=O)O)c2)C1 167957942 AYUMWFJKPBCXTB-GWCFXTLKSA-N 292.335 1.297 0 50 CDAA CC(=O)Nc1ccncc1NC(=O)[C@@H]1CCCO[C@@H]1C 276565934 ADIBVAPWLCIZMX-MWLCHTKSSA-N 277.324 1.794 0 50 CDAA Cc1ccc(NC(=O)CCc2cnn[nH]2)c(C)c1O 631811958 VWCLSYRFOGBDPS-UHFFFAOYSA-N 260.297 1.698 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)CCCOc1cccnc1 169826661 CRWOIFWVURCSHZ-LBPRGKRZSA-N 278.308 1.316 0 50 CDAA COC(=O)[C@H]1C[C@@H](O)CN1CCCc1cccc(C)c1 170089422 BCHNVAXNTFZRAK-HUUCEWRRSA-N 277.364 1.536 0 50 CDAA CC[C@@H]1[C@@H](C(=O)N2CC(OC(F)F)C2)CCN1C 632669349 JMOYNBOWQOMNHZ-VHSXEESVSA-N 262.300 1.167 0 50 CDAA CNCC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 170599549 HFOUVXCUDJMSIT-UHFFFAOYSA-N 259.313 1.042 0 50 CDAA O=C(Nc1cnns1)[C@H]1COc2ccccc2C1 170605801 NUJMOBVKAODTNS-SECBINFHSA-N 261.306 1.728 0 50 CDAA CCCn1nccc1C(=O)NCc1cn2ccsc2n1 666031323 MXIOPUYLSOXXPF-UHFFFAOYSA-N 289.364 1.932 0 50 CDAA O=C(CO)N1CCN(Cc2ccc(Cl)c(F)c2)CC1 189974424 GQDFANOYFRQKKN-UHFFFAOYSA-N 286.734 1.116 0 50 CDAA c1ccc2c(c1)ncn2Cc1noc([C@H]2COCCO2)n1 562233658 AUBIQFIVGRVEEN-GFCCVEGCSA-N 286.291 1.556 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)c2ncccn2)cc1C 193844864 HBXRPBALQFZOGJ-UHFFFAOYSA-N 277.349 1.919 0 50 CDAA C[C@H]1CCC[C@@H](CNC(=O)NCC2CS(=O)(=O)C2)C1 585137731 RDBYFBMYPVMYPA-WDEREUQCSA-N 288.413 1.157 0 50 CDAA COC[C@H](CC(C)(C)C)NCCC(=O)NC(C)C 651674037 ABLDDPRRVVOVOE-LBPRGKRZSA-N 258.406 1.942 0 50 CDAA COC[C@@H](CC(C)(C)C)NCCC(=O)NC(C)C 651674036 ABLDDPRRVVOVOE-GFCCVEGCSA-N 258.406 1.942 0 50 CDAA CCCS(=O)(=O)N[C@H](C)CN1CCC[C@@H](C)C1 195574185 RARGNOWWILPFCH-VXGBXAGGSA-N 262.419 1.436 0 50 CDAA O[C@H]1CN(CCCC2CCCC2)CC[C@@H]1N1CCOCC1 1614302340 DCPOTQBDHPYRKU-IRXDYDNUSA-N 296.455 1.724 0 50 CDAA C[C@H](C(=O)NCc1cccc(CO)n1)n1cccc1 1615056143 KLBUUHHDUUOGBE-LLVKDONJSA-N 259.309 1.253 0 50 CDAA COCc1cncc(C(=O)N[C@@H]2C[C@H](N)C23CCC3)c1 1615554457 LBWIJGCXFVCMLI-QWHCGFSZSA-N 275.352 1.228 0 50 CDAA C[C@@H](C(=O)NCCc1cn2ccccc2n1)c1ncccn1 1615556621 FUCOVDIXIPHDPJ-GFCCVEGCSA-N 295.346 1.587 0 50 CDAA N[C@@H]1C[C@H](C(=O)Nc2cnn(-c3ccncc3)c2)[C@H]2C[C@H]21 1615615096 OMTFVAAWGKHPCS-RFQIPJPRSA-N 283.335 1.189 0 50 CDAA CC1(C)CCN(C(=O)[C@H]2NCc3ncncc32)CC1 1615613617 ATKVFLFWRYVLRU-LBPRGKRZSA-N 260.341 1.270 0 50 CDAA NCCC1(O)CCN(CCC(=O)Nc2ccccc2)CC1 1616041360 PRJBWHMNZBHKKY-UHFFFAOYSA-N 291.395 1.191 0 50 CDAA O=C(c1cccc2ncccc12)N1C[C@@H](O)[C@H](F)C1 952979663 QYLOHDKWUAVDSA-DGCLKSJQSA-N 260.268 1.390 0 50 CDAA CN1CCC(N2CCN(c3ccccc3)CC2)CC1 279544 RPGOORCKNRWNAK-UHFFFAOYSA-N 259.397 1.903 0 50 CDAA CCc1ncnc(NC[C@@H]2CCCN(CCOC)C2)c1F 1506405601 VQAOMWWDBXEWBJ-LBPRGKRZSA-N 296.390 1.948 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(Cl)cc1F 220175102 HSDBNTDZZRYZLV-GHMZBOCLSA-N 273.691 1.359 0 50 CDAA CN(Cc1ncn[nH]1)C(=O)C1CCC(F)(F)CC1 216475865 WSJHHNJELFWOGA-UHFFFAOYSA-N 258.272 1.589 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1cccs1 222428965 QYLRKLRVQQRJDU-ZNSHCXBVSA-N 279.317 1.019 0 50 CDAA CC[C@]1(O)CCN(Cc2noc(C3CCCC3)n2)C[C@@H]1O 216917437 SIZDNUZJYJVEGE-WFASDCNBSA-N 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1.318 0 50 CDAA COC(=O)c1sc(NC(=O)CCC(=O)O)nc1C 114344 HFHFIPPEYFLESS-UHFFFAOYSA-N 272.282 1.041 0 50 CDAA O=S(=O)(c1cccc2nonc12)N1CCCCC1 215324 WZMIWPAQKZUQBU-UHFFFAOYSA-N 267.310 1.397 0 50 CDAA COC(=O)c1[nH]c2c(c1C)C(=O)[C@@H](C(=O)OC)[C@@H](C)C2 250150 SASYJEBNAJSAMZ-RCOVLWMOSA-N 279.292 1.274 0 50 CDAA COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 304361 SONKSHWXWHWISY-GHMZBOCLSA-N 285.365 1.493 0 50 CDAA NCCc1ccc(-c2nccc(N3CC[C@H](O)C3)n2)cc1 2356147085 HIXBHLWEQVIGTL-AWEZNQCLSA-N 284.363 1.216 0 50 CDAA CCCCCCNC(=O)CN1C(=O)c2ccccc2C1=O 2968281 QBLSVDUWLXBMTH-UHFFFAOYSA-N 288.347 1.979 0 50 CDAA CN1C[C@H]2C[C@@H](N(C)c3ncc(Cl)cn3)C[C@H]2CC1=O 2356169118 LJBGBOZRWHFMSV-UMNHJUIQSA-N 294.786 1.823 0 50 CDAA COC(=O)[C@@H]1[C@H](C(C)C)N(c2ccccc2)O[C@]1(C)O 4018066 AKRXFMFKOIECJQ-YDHLFZDLSA-N 279.336 1.961 0 50 CDAA CN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 4955548 XUPOVPOFMRZGOV-UHFFFAOYSA-N 293.334 1.723 0 50 CDAA NC(=O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 133465085 KBUMUEWCWJPVAR-SECBINFHSA-N 287.241 1.257 0 50 CDAA CCc1[nH]nc(C(=O)NCCn2ccnc2C)c1C 20455263 ZYDTUHZSGQECGX-UHFFFAOYSA-N 261.329 1.215 0 50 CDAA O=C(CSc1ncccn1)N[C@@H]1C[C@H]2CC[C@H]1C2 101323271 SXPIXKRRTYJLSJ-GARJFASQSA-N 263.366 1.874 0 50 CDAA Cc1ccccc1[C@]1(C)NC(=O)N(Cc2ccon2)C1=O 115966256 MDVNNGBTTGLFKG-HNNXBMFYSA-N 285.303 1.950 0 50 CDAA CN(CCn1cccn1)C(=O)c1ccccc1-n1cccn1 110433255 JQLRTTVJPZPNGU-UHFFFAOYSA-N 295.346 1.841 0 50 CDAA CCOC(=O)[C@H](C(=O)N1CCN(C)CC1)C1CCCCC1 20130111 AAPUNMGOVVMHQU-AWEZNQCLSA-N 296.411 1.520 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCCOC1 328622513 BGSXYPTZTHMRGW-SRVKXCTJSA-N 251.330 1.019 0 50 CDAA Cn1ccnc1CN(CCO)C(=O)[C@H]1CC=CCC1 67981945 QJQIQCJXDQQVFH-LBPRGKRZSA-N 263.341 1.097 0 50 CDAA C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(F)cc1F 251532629 MYTQWKDUGYLFGF-JMOVZRAMSA-N 269.247 1.863 0 50 CDAA Cc1ncsc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328654979 XXEYOUGYZWWIED-MRVPVSSYSA-N 293.352 1.271 0 50 CDAA CC(=O)N(C[C@@H]1CCCN1C[C@H](O)C(F)(F)F)C1CC1 328626704 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C=CC(=O)N1CCO[C@@H](COc2ccc(F)c(F)c2)C1 328598294 KYPOTCPKINQREL-LLVKDONJSA-N 283.274 1.757 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCN[C@H](C)C1 155186014 USZOSRNHYBREEK-SECBINFHSA-N 284.791 1.631 0 50 CDAA CO[C@H]1COCC[C@H]1CC(=O)N1CCCc2n[nH]cc21 333420110 IYPZWBLZTCUOOZ-GWCFXTLKSA-N 279.340 1.131 0 50 CDAA C[C@@H]1CCCN(C(=O)CCCc2ccccn2)[C@@H]1CN 237488634 GSKOXHWETWBSQI-UKRRQHHQSA-N 275.396 1.990 0 50 CDAA CCCc1cc(C(=O)N2CCC[C@@H](COC)C2)n(C)n1 77357099 SVQGNLMYQCEOTK-GFCCVEGCSA-N 279.384 1.871 0 50 CDAA CC(C)NC(=O)Cn1nc(-c2cccs2)ccc1=O 44902854 PRWTXRKDMRRPMV-UHFFFAOYSA-N 277.349 1.496 0 50 CDAA O=S(=O)(NCC1CC1)c1ccc2ncccc2c1 334367928 RTLLVBYCIPIRMW-UHFFFAOYSA-N 262.334 1.923 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)NCCCC(=O)O)C2 237810426 TVTOSMFTUIZFKW-CYBMUJFWSA-N 277.320 1.588 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)C[C@H](O)c1cccc(F)c1 237994646 OLYACUUEEQNYAK-OLZOCXBDSA-N 295.310 1.715 0 50 CDAA O=c1c2nnc3ccnn3c2ccn1C1CCCC1 40388048 GQDMPFXVMOBNQH-UHFFFAOYSA-N 255.281 1.554 0 50 CDAA Cc1nnc2c3ccccc3c(=N[C@H](C)CCO)[nH]n12 340017390 XBDOCRHDRMXRAG-SECBINFHSA-N 271.324 1.191 0 50 CDAA CC[C@@H](NC(=O)C1(C(N)=O)CC1)c1cccc(C)n1 222918917 CNYUSMGIGQUFJD-SNVBAGLBSA-N 261.325 1.223 0 50 CDAA CCOc1ccc(Cn2cc(CC(=O)O)nn2)cc1 82296523 FAJGUHQJUDIFAH-UHFFFAOYSA-N 261.281 1.352 0 50 CDAA C[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1CC(=O)O 82097674 DCTPCLLPIGZSGW-VIFPVBQESA-N 282.727 1.462 0 50 CDAA COC(=O)[C@@H](CCCCO)NC(=O)OC(C)(C)C 137532433 RROCSCBJUBRRQV-SECBINFHSA-N 261.318 1.215 0 50 CDAA CC[C@@H](NC(=O)c1[nH]nc(C)c1Cl)C1CC(O)C1 223535160 BKSCWAYLWYRPLA-AMDVSUOASA-N 271.748 1.651 0 50 CDAA O=C(c1ccc2c(c1)CCOC2)N1CCc2c[nH]nc2C1 612818314 TZZPSFXPKZJNME-UHFFFAOYSA-N 283.331 1.681 0 50 CDAA Cc1ccc(OC2CN(C(=O)c3cnco3)C2)cc1 220470187 QMBBXCQZNYLTST-UHFFFAOYSA-N 258.277 1.886 0 50 CDAA O=C1C[C@H](c2nc(-c3cccnn3)no2)CN1C1CCCC1 82160831 ISKHXDSXMPPILY-JTQLQIEISA-N 299.334 1.785 0 50 CDAA CCCCc1ncc(CN2CCN([C@H]3CCNC3)CC2)[nH]1 426720051 ZNDYKPSLQBIUAZ-HNNXBMFYSA-N 291.443 1.232 0 50 CDAA CCO[C@H](C)C(=O)N(C)Cc1cc(C2CC2)on1 426489621 KHUQKDUUHXXQSI-SECBINFHSA-N 252.314 1.935 0 50 CDAA CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@@H]2CCNC2)s1 179095172 DEXPCHCGWXVCFY-NXEZZACHSA-N 283.397 1.593 0 50 CDAA CNC[C@H]1CCN(C(=O)c2ccc(COC)cc2)C1 179011787 WQSCGDNXEPGKFO-CYBMUJFWSA-N 262.353 1.515 0 50 CDAA Nc1cc(NCCO)nc(SCc2ccccc2)n1 95375842 PMXZCPGHZDSQRA-UHFFFAOYSA-N 276.365 1.755 0 50 CDAA Cc1cccc([C@@H](NC(=O)N2CCCC2)C(=O)O)c1 426510870 QPWBTGDUCQXXMT-GFCCVEGCSA-N 262.309 1.926 0 50 CDAA C[C@H]1CN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H](C)N1 179160965 JESMJWNZGNQNBC-RYUDHWBXSA-N 286.379 1.704 0 50 CDAA Cn1ccnc1-c1cn(CCCc2csc(N)n2)nn1 91526497 HEJTXWFECIJXTH-UHFFFAOYSA-N 289.368 1.350 0 50 CDAA CC[C@H](CNc1nc(N)nc(C)c1C)N(C)CC 91551313 NSFWOMHZPJMLMJ-LLVKDONJSA-N 251.378 1.818 0 50 CDAA CC[C@]1(CO)CCCN(Cc2nncn2C(C)C)C1 91997968 HSYOZFPIMWJORP-AWEZNQCLSA-N 266.389 1.844 0 50 CDAA CCc1nc(C)c(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)o1 293367209 YUKBLMISTFARLK-SNVBAGLBSA-N 293.367 1.675 0 50 CDAA CC(C)[C@@H]1CN(c2nc(C(N)=O)cs2)C[C@H]1N(C)C 91707164 DJLYSMJDXMCNSC-GXSJLCMTSA-N 282.413 1.264 0 50 CDAA CC[C@H](C(=O)NCCCc1csc(N)n1)n1cccn1 91663581 SEVFBABUZMIIRJ-LLVKDONJSA-N 293.396 1.622 0 50 CDAA CCCN1CCC(CC(=O)N[C@@H](C)c2nncn2C)CC1 95364583 XWOCKFFFYQQGGH-LBPRGKRZSA-N 293.415 1.504 0 50 CDAA O=C(NCc1ccccn1)c1ccc(-c2nc[nH]n2)cc1 97713655 SIVLJWMXPHKMDK-UHFFFAOYSA-N 279.303 1.797 0 50 CDAA Oc1ccc(Cc2nc(-c3cccnn3)no2)cc1F 95522068 LWGRNATUELZAIO-UHFFFAOYSA-N 272.239 1.962 0 50 CDAA O=S(=O)(NC[C@@H]1COc2ccccc2C1)N1CCCC1 91381067 DUZOWIOQMYTDEJ-GFCCVEGCSA-N 296.392 1.168 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)CCCN2CCCC2=O)[nH]n1 244691891 JKVVPVDWNYWJKH-NSHDSACASA-N 292.383 1.168 0 50 CDAA CCc1oc(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1C 299743665 OLPAFONMCWBTJD-GHMZBOCLSA-N 276.336 1.501 0 50 CDAA CC(C)C[C@H]1CCCCN1C(=O)NCc1ccc(=O)[nH]n1 297470020 DASITAQLTRHEIN-CYBMUJFWSA-N 292.383 1.880 0 50 CDAA CN(C)Cc1ccc(-c2n[nH]c(CCC(=O)O)n2)cc1 534587367 MDBMSKVCXIDOTR-UHFFFAOYSA-N 274.324 1.551 0 50 CDAA NC(=O)c1ccc(NCC2(Cn3ccnc3)CC2)nc1 534644744 HEUYXVRSGSEEBO-UHFFFAOYSA-N 271.324 1.269 0 50 CDAA CO[C@H]1CN(C)C[C@@H]1NC(=O)Cn1ccc2ccccc21 534587397 UKQZOPXVSSUEPT-ZFWWWQNUSA-N 287.363 1.087 0 50 CDAA COc1cccc(C[C@@H](N)C(=O)Nc2ccc(C)nc2)c1 638275030 UVZCNHGXIFVSIW-OAHLLOKOSA-N 285.347 1.907 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)CN1[C@H]1CCc2ccccc2C1 824121229 JJUSZKLMMMKTBK-KKUMJFAQSA-N 275.348 1.152 0 50 CDAA C[C@H](Cn1ccnc1)NCC(C)(C)N1CCCC1 584896517 LBXAKDMITGSSEB-CYBMUJFWSA-N 250.390 1.736 0 50 CDAA Cc1nc(=N[C@@H](CO)[C@H](O)c2ccc(Cl)cc2)s[nH]1 585132738 QYPJZZSXLLMJNA-WDEREUQCSA-N 299.783 1.428 0 50 CDAA CSCCN1CCN(C(=O)CCn2ccc(C)n2)CC1 670462595 KYRBBWAETVHWBC-UHFFFAOYSA-N 296.440 1.089 0 50 CDAA COc1ccc(-c2ocnc2C(=O)N2CC=C(N)N2)cc1 1417584330 VKNXJEHTZICMOW-UHFFFAOYSA-N 286.291 1.111 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C2CC2)C1 958528544 QEBFZINDPCOVGI-MFKMUULPSA-N 256.346 1.096 0 50 CDAA O=C(O)CCN1CCC(CNC(=O)CC2CCCC2)CC1 952966169 GEAMXHHJQOPIPU-UHFFFAOYSA-N 296.411 1.870 0 50 CDAA C[C@H]1CCCN(c2nnc(C3CC3)n2CC(=O)N(C)C)C1 1381639896 CIDPJFWUYVGWOU-NSHDSACASA-N 291.399 1.480 0 50 CDAA CC[C@]1(C)COCCN1C(=O)c1cnc(C)nc1C 408124648 QWMMZRDXWREWMR-CQSZACIVSA-N 263.341 1.735 0 50 CDAA COc1nc(C)cc(=N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)[nH]1 408219119 LJUQHDTWSCOLSD-JLLWLGSASA-N 263.341 1.441 0 50 CDAA Nc1cc(C2CCN(c3ncc(F)cn3)CC2)n[nH]1 269495086 OSRXUYZFRMDMMV-UHFFFAOYSA-N 262.292 1.305 0 50 CDAA O=C(COc1cccnc1)NC[C@H]1CCc2nccn2C1 275399634 RZUUDXJQYYQERJ-GFCCVEGCSA-N 286.335 1.036 0 50 CDAA Cc1ccc(-c2ocnc2C(=O)N[C@@H](C)C(=O)O)cc1 170045501 BZMCHPIVYJPKJW-VIFPVBQESA-N 274.276 1.853 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)CN2CCCOC2=O)CC1 170657095 UIIZKCPLNXCWBA-CYBMUJFWSA-N 298.383 1.636 0 50 CDAA COc1cccc2c1CN(C(=O)[C@H]1NCC1(C)C)C2 632855481 SIBKFVRHKQXTPS-CYBMUJFWSA-N 260.337 1.535 0 50 CDAA NC(=O)C1CCN(C[C@H](O)CC2CCCC2)CC1 188636448 PFOWLVFVYLCNOA-CYBMUJFWSA-N 254.374 1.125 0 50 CDAA CC[C@@](NC(=O)c1coc(C)c1)(C(N)=O)C(C)C 189056006 WRQVDKCUDGGJAT-ZDUSSCGKSA-N 252.314 1.608 0 50 CDAA O=C(Nc1cnns1)N[C@@H]1c2ccccc2C[C@@H]1O 190781633 ZPGQNBZVTOHLME-GXSJLCMTSA-N 276.321 1.318 0 50 CDAA CC(C)c1ccc(CNC(=O)[C@]2(N)CCN(C)C2)cc1 643633357 HHEBBAIJGPSUOB-INIZCTEOSA-N 275.396 1.459 0 50 CDAA CN(C)c1ccc([C@H]2CCCN2CCC2(O)CCC2)nn1 643733049 VAAXBEIPILRGCB-CQSZACIVSA-N 290.411 1.985 0 50 CDAA O[C@@]1(Cn2ccnn2)CCN(c2ncc(Cl)cc2F)C1 671467202 UTWFWLJZBCXPJC-LBPRGKRZSA-N 297.721 1.107 0 50 CDAA CC/C=C/CCN1CC[C@](O)(Cn2ccnn2)C1 671554686 KRJWUIYSKIJEHU-ITDFMYJTSA-N 250.346 1.071 0 50 CDAA C[C@H]1CN(C)[C@H](C)CN1C(=O)c1ncccc1N(C)C 585135498 NJGSMNLFGZMHOG-NEPJUHHUSA-N 276.384 1.312 0 50 CDAA CNc1ccc(C(=O)NCC2(C(=O)OC)CC2)cc1F 585132457 XGZNXDQZLUNWIF-UHFFFAOYSA-N 280.299 1.550 0 50 CDAA C[C@@H](C(=O)N=c1[nH][nH]cc1C(=O)N(C)C)c1ccccc1 585130721 ABMAKWVENSGVBW-SNVBAGLBSA-N 286.335 1.276 0 50 CDAA CC(=O)c1ccccc1C(=O)N1CCn2nncc2C1 565217194 ZHVKYVAKRGFNNW-UHFFFAOYSA-N 270.292 1.137 0 50 CDAA COc1ccc(-c2nc(Cn3ncccc3=O)no2)cc1 195419963 RVAMPTCGFSMZMP-UHFFFAOYSA-N 284.275 1.350 0 50 CDAA O=C(O)[C@]1(C(=O)N2CC[C@@H](N3CCCC3)C2)CC=CCC1 653307099 CFDMZGKRKSTQPI-CZUORRHYSA-N 292.379 1.494 0 50 CDAA CN1CCO[C@@H](CNc2cnc(-c3ccccc3)cn2)C1 570751170 LDLFDVWXKMYILN-AWEZNQCLSA-N 284.363 1.886 0 50 CDAA O=C(NOc1ccccc1)[C@@H]1COc2ccccc2O1 773465530 FURAVTTZCMNZSE-AWEZNQCLSA-N 271.272 1.937 0 50 CDAA N[C@@H]1C[C@H](C(=O)NCc2cnc(O)c3ccccc23)[C@H]2C[C@H]21 1615546630 MOZRHWZVOIBQEB-LJISPDSOSA-N 297.358 1.540 0 50 CDAA COC1(CNc2cnc(Cl)cn2)CCOCC1 1616033736 CYYYKKIZGOFMED-UHFFFAOYSA-N 257.721 1.738 0 50 CDAA COc1cccc([C@@H](C)N(C)C(=O)c2cc(N)n[nH]2)c1 1506425711 GALYCJNETQKGHN-SECBINFHSA-N 274.324 1.834 0 50 CDAA Cc1cc(N)n(CC(=O)N2CCC[C@@H]2c2cc(C)on2)n1 1506419668 HTCSQXCURBGXSK-GFCCVEGCSA-N 289.339 1.434 0 50 CDAA CC(C)n1cnnc1CN(C)Cc1cscn1 215656320 ZDRWXLZNYJSLCX-UHFFFAOYSA-N 251.359 1.948 0 50 CDAA CCc1ncc(S(=O)(=O)N2CC3(CCOC3)C2)s1 328807076 DJYWKXPPMDTROE-UHFFFAOYSA-N 288.394 1.117 0 50 CDAA O=C(CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)NCc1ccco1 110648934 IRVKGXZIXGVBPM-IGQOVBAYSA-N 276.336 1.005 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2cccc(F)c2)C[C@H](C)O1 464774 OWOYNDHLKVEMCK-UWVGGRQHSA-N 273.329 1.624 0 50 CDAA CC(C)c1nn(C)c2sc(C(=O)NCCN)cc12 236856354 FNSKKIHEWFMMIV-UHFFFAOYSA-N 266.370 1.447 0 50 CDAA Cc1nnc(NC[C@@H](O)CN(C)C)c2ccccc12 29585297 FKOUJPGWHZDPTD-LLVKDONJSA-N 260.341 1.273 0 50 CDAA Cn1nccc1CCC(=O)N1CCC[C@H](C2(O)CC2)C1 1772819144 FYVDBTFXKYMQJE-LBPRGKRZSA-N 277.368 1.116 0 50 CDAA CN1CCOC2(CCN(C(=O)c3cscn3)CC2)C1 1857681816 BMSYTRPHMBWHTM-UHFFFAOYSA-N 281.381 1.080 0 50 CDAA Cc1cc(NC(=O)[C@H]2CC(c3ccccc3O)=NO2)no1 13640788 VTDPVMZIYBFVRH-GFCCVEGCSA-N 287.275 1.820 0 50 CDAA Cc1cc(S(=O)(=O)NCCCn2ccnc2)ccc1F 16647885 FMNCYXJKRVUOFI-UHFFFAOYSA-N 297.355 1.699 0 50 CDAA CN(C(=O)CSc1nc(N)cc(=O)[nH]1)c1ccccc1 18210700 FOIZOEQPTTUHBT-UHFFFAOYSA-N 290.348 1.107 0 50 CDAA biogenic,in-vitro COc1ccc(Cl)cc1C(=O)N1CCN(C)CC1 19798276 UBGPUCLLFAJXIY-UHFFFAOYSA-N 268.744 1.736 0 50 CDAA O=C(NCc1ccc2c(c1)CCO2)[C@H]1CCn2nccc2C1 1857735098 IBVDZBIZTNILED-AWEZNQCLSA-N 297.358 1.697 0 50 CDAA O=C(Cc1cnn2ccccc12)NCC12CCCN1CCC2 614230264 MOWPBKPBPNBTHZ-UHFFFAOYSA-N 298.390 1.621 0 50 CDAA CC(C)(C)N1C[C@@H](NC(=O)Nc2ccc(F)cn2)CC1=O 122638930 GYCJYABAGVZXMU-JTQLQIEISA-N 294.330 1.742 0 50 CDAA C[C@H](C(=O)O)[C@H](NC(=O)Cn1cccn1)c1ccccc1 237616371 PCKYGIRIZFFEPN-FZMZJTMJSA-N 287.319 1.461 0 50 CDAA CCc1cccnc1-c1noc(C2CN(C(C)=O)C2)n1 350061227 NWIXCYFVHQADAK-UHFFFAOYSA-N 272.308 1.640 0 50 CDAA Cn1nccc1COCC(=O)N1CCC[C@H]1C(C)(C)C 253415377 WZQCDYYUSXPUBK-ZDUSSCGKSA-N 279.384 1.974 0 50 CDAA Cc1ncc(CNC(=O)C2(S(C)(=O)=O)CCC2)s1 253418033 VFIVNGKWABUYRC-UHFFFAOYSA-N 288.394 1.035 0 50 CDAA O=C(Nc1ccccn1)[C@H]1CCCN(Cc2ncc[nH]2)C1 361005202 STRSGTLCPYHWMH-LBPRGKRZSA-N 285.351 1.655 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CCC(c2ccnn2C)CC1 155691683 QZOAFWHNYKYXNH-FZMZJTMJSA-N 278.400 1.500 0 50 CDAA O=C(Nc1nnnn1C1CC1)c1cncc(Cl)c1 905847120 GKIRXEFYHRUUEI-UHFFFAOYSA-N 264.676 1.309 0 50 CDAA C=CC(=O)N1CCN(CCc2cccs2)CC1 848979501 XSGQJYSVKFJKSV-UHFFFAOYSA-N 250.367 1.621 0 50 CDAA CCn1ncc(CN[C@H](C)c2ccc(-n3cncn3)cc2)n1 851894312 ZBYPOKUTNWHBFI-GFCCVEGCSA-N 297.366 1.730 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2c[nH]c(=N)s2)C1 1857782472 NVJDUHRHTJVTHE-UHFFFAOYSA-N 255.343 1.890 0 50 CDAA C=CC(=O)N1CCOC[C@@H]1c1noc(C(C)C)n1 863971325 OYGPRZRPBXXOSZ-SECBINFHSA-N 251.286 1.279 0 50 CDAA CC[C@@H]1CN(C(=O)N[C@@H](C)C(OC)OC)C[C@@H](C)O1 864095656 VGLUQGOAHRJAAK-OUAUKWLOSA-N 274.361 1.203 0 50 CDAA CCCc1ccc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 236912400 RXZOARAYZBURMJ-CYBMUJFWSA-N 277.320 1.565 0 50 CDAA Cc1cnccc1N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952889525 BEIUZFHKUAXCAL-LSDHHAIUSA-N 289.379 1.639 0 50 CDAA O=C(Nc1nccs1)N[C@H]1C[C@H]2C[C@@H](O)[C@@H]1C2 1875304339 HOXXWOUTSKMEGP-UYXSQOIJSA-N 253.327 1.424 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCc1cnoc1C1CC1 1875369981 UJIXBWMCSUKFPR-UHFFFAOYSA-N 277.324 1.203 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C)CC[C@H]2C(=O)O)cc(=O)n1C 1875311472 ZYIWQMPWQVOUGT-SKDRFNHKSA-N 292.335 1.019 0 50 CDAA CC[C@@H](CN1CCCC1)NC(=O)[C@H](N)CCSC 1772224427 SMTBSQHOFJAROC-NWDGAFQWSA-N 273.446 1.057 0 50 CDAA COc1cc(C)nc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)n1 1775961586 LMGYSHCBZMWEMO-ZJUUUORDSA-N 290.327 1.244 0 50 CDAA O=C1N[C@@H](CC(=O)N2CCCc3n[nH]cc32)c2ccccc21 897598199 LWDVPPPLHKTAPZ-ZDUSSCGKSA-N 296.330 1.564 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cccc(COC)c2)C1 151009094 UODHTYFULDAGNX-AWEZNQCLSA-N 262.353 1.657 0 50 CDAA Cc1nonc1CN1CC[C@@H](C(=O)O)c2ccccc21 167288641 BZZUMHCMJLJWLF-LLVKDONJSA-N 273.292 1.957 0 50 CDAA Cn1cncc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 261646462 OEHNSYYUQRIITB-AXFHLTTASA-N 277.324 1.278 0 50 CDAA C[C@@H]1CCCC[C@H]1C(=O)NC1(CC(=O)O)CCOCC1 263047219 JYCZKPBMAAQPQY-VXGBXAGGSA-N 283.368 1.953 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCNCC2)[C@@H](O)C1 1083104323 CWDCVNPQGKGMRY-NSHDSACASA-N 270.373 1.358 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1ccnc2[nH]ncc12 2325779991 XDCZSEUATSXRSH-CYBMUJFWSA-N 262.313 1.239 0 50 CDAA C[C@](O)(Cc1ccccc1)C(=O)OCc1cncnc1 2325790482 OICCURRTBHPAQX-HNNXBMFYSA-N 272.304 1.514 0 50 CDAA CN1C(=O)c2cccc(N[C@H]3CCC[C@H]3C(=O)O)c2C1=O 2325886090 LXDJNCHFXWQPOP-SCZZXKLOSA-N 288.303 1.578 0 50 CDAA O=C1C[C@@H](CC(=O)Nc2ccc(C3CC3)cc2)C(=O)N1 935219213 OUMXNYUBWWVORR-LLVKDONJSA-N 272.304 1.555 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc(CCNC(C)=O)cc1 122445 MWWYLHTXXNBRPZ-UHFFFAOYSA-N 298.408 1.396 0 50 CDAA CCOC(=O)N1CCC(N2CCSCC2)CC1 3683610 HSGIZBPSEWDOMU-UHFFFAOYSA-N 258.387 1.656 0 50 CDAA COc1ccccc1C(=O)Nc1ccc([S@@](N)=O)cc1 6142287 WGCRXNJLXDTZDE-HXUWFJFHSA-N 290.344 1.929 0 50 CDAA CC(C)Nc1nc(NC(=N)S)nc(NC(C)C)n1 8830264 MENSQTKNYGRYMV-UHFFFAOYSA-N 269.378 1.789 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@H]2C=C(c3ccccc3)[C@H]12 105346994 ODRYVRQFMJDTPV-AJNGGQMLSA-N 293.326 1.344 0 50 CDAA C[C@]12CCC(=O)N1[C@H](C(=O)N1C[C@H]3CCC[C@@H]3C1)CS2 225416206 WXSKQXPUGBARTM-FJJYHAOUSA-N 294.420 1.699 0 50 CDAA COC(=O)c1ncn(Cc2ccc(OC(C)=O)cc2)n1 225473827 QUTSGKULJDDXHO-UHFFFAOYSA-N 275.264 1.038 0 50 CDAA O=C1C[C@H](C(=O)Nc2ccccc2Cl)n2ncnc2N1 9137306 QHUQMKIEYIXVAT-SECBINFHSA-N 291.698 1.454 0 50 CDAA CCSc1ncc(Cl)c(C(=O)NCCOC)n1 9340633 RWCSUNKOTMMYLJ-UHFFFAOYSA-N 275.761 1.618 0 50 CDAA CCc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1 20223856 XYHVHUAKAKGMPB-UHFFFAOYSA-N 267.350 1.603 0 50 CDAA C[C@@H](O)CCN(C)C(=O)c1cccc2c1OCCO2 135615108 XKKVXGAOGKYFOL-SNVBAGLBSA-N 265.309 1.301 0 50 CDAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccnnc1 135844532 TURXQLWGEAYZRP-NSHDSACASA-N 263.297 1.336 0 50 CDAA C[C@H](O)/C=C/[C@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)O)cc1 5141466 IZSWILLJDXDGDJ-GTKJMMEMSA-N 291.303 1.418 0 50 CDAA biogenic,in-vitro Cc1noc(C)c1-n1c(CCc2ccccc2)n[nH]c1=O 67774989 AGCNCMAIIVEZGI-UHFFFAOYSA-N 284.319 1.951 0 50 CDAA COc1cc(N(C)CCc2noc(C(C)C)n2)ncn1 65422976 APVDIHSIQGKXPC-UHFFFAOYSA-N 277.328 1.671 0 50 CDAA CN1CCN(CC2CCCCCC2)C[C@@H]1CCO 20727393 WAPTZUSWVNLKKP-HNNXBMFYSA-N 254.418 1.955 0 50 CDAA COc1ccc(CC[C@@H](C)N2CCN(CCO)CC2)cc1 23283342 VZNKOKKAZWZUCT-OAHLLOKOSA-N 292.423 1.626 0 50 CDAA CCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)C[C@H]1O 1099686824 LBPJTDGPIAGIOF-ZIAGYGMSSA-N 296.436 1.990 0 50 CDAA CCN1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 19093971 RDPIPPDYPKSJQA-SNVBAGLBSA-N 279.317 1.624 0 50 CDAA Cc1cc(C(=O)O)ccc1NS(=O)(=O)N1CC[C@H](C)C1 349779027 SIRBFOICSYULMS-VIFPVBQESA-N 298.364 1.692 0 50 CDAA CN(C)c1n[nH]c(CNCc2cccc3c2OCC3)n1 1365511291 NSYOVFZOGIGWNX-UHFFFAOYSA-N 273.340 1.095 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2nonc2C)n1 65410244 MEZKVYZIWMUMTI-MRVPVSSYSA-N 263.301 1.010 0 50 CDAA CCC[C@]1(C(=O)O)CCCN(C(=O)CSC)C1 62870599 SNZWJDLODVLNPF-LBPRGKRZSA-N 259.371 1.843 0 50 CDAA CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1=O 34396130 OFHTXTVNVCVIBX-MRVPVSSYSA-N 257.286 1.333 0 50 CDAA O=C(Nc1nnc(C(F)(F)F)[nH]1)c1ccc2nccn2c1 171677291 IWQABUDOPBPURH-UHFFFAOYSA-N 296.212 1.724 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)C1 252536704 JFPFSSFXVPUSOG-ASHHDVGLSA-N 263.337 1.602 0 50 CDAA Cc1ccc([C@H](C)NC(=O)Cn2nnnc2C)cc1C 123308210 RVLJYGXVAQGQOD-NSHDSACASA-N 273.340 1.476 0 50 CDAA CCc1ccnc(CNc2cc(N3CCOCC3)ncn2)c1 435604823 FTHVHZZCDXGZQE-UHFFFAOYSA-N 299.378 1.883 0 50 CDAA C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H]1c1ncc[nH]1 329367941 LDUZDJSXBMJPMY-JHJVBQTASA-N 276.384 1.946 0 50 CDAA O=C(O)c1cccc(-c2nccc(N3CCC[C@@H](O)C3)n2)c1 215454345 WLDBNANHHIHOEX-CYBMUJFWSA-N 299.330 1.803 0 50 CDAA COC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 79057806 FRZZQROAGVAOAG-VIFPVBQESA-N 259.302 1.185 0 50 CDAA CC(C)n1ccc(C(=O)N2CC[C@H](N(C)C)[C@H]2C)n1 328592401 YPYCYPPKSXQXBE-YPMHNXCESA-N 264.373 1.629 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)c2nnc(C)s2)[C@@]12CCCO2 329794636 WBXKXJFGWDDPLM-BREBYQMCSA-N 297.380 1.303 0 50 CDAA CCOc1cc(N2C[C@H]3CCCN3C[C@@H]2C)ncn1 124649903 MJZDZZNIWDKGKD-NWDGAFQWSA-N 262.357 1.548 0 50 CDAA Cn1c(S)nnc1COc1ccc(C(=O)O)cc1 30834228 YABWUJNIZCNWCT-UHFFFAOYSA-N 265.294 1.381 0 50 CDAA Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CCSC2)cn1 328630927 JXCHLENUZXHQME-MJBXVCDLSA-N 298.431 1.428 0 50 CDAA C[C@@]1(NC(=O)[C@@H]2CCCCC(=O)N2)CC=CCC1 335581593 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280.305 1.234 0 50 CDAA O=C1c2cccnc2C(=O)N1c1ccc2c(c1)OCO2 802323 LJLCDPJPDAIBIW-UHFFFAOYSA-N 268.228 1.611 0 50 CDAA Cc1cnc(N2C[C@@H]3CCCN3C(=O)[C@@H]2C)nc1N(C)C 1772712428 RWOYVYLCSWXAPG-RYUDHWBXSA-N 289.383 1.051 0 50 CDAA C[C@]12C[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1772804597 BSSCSIMBKZYGAA-IUODEOHRSA-N 293.388 1.719 0 50 CDAA O=C(NCCN1CCCC1)c1cn(C2CCCCC2)nn1 12093887 SVDHMYWMZKFXDX-UHFFFAOYSA-N 291.399 1.609 0 50 CDAA O[C@@H]1/C(=C/c2ccc3c(c2)OCO3)N2CCC1CC2 13495536 GBJBJJSHFYGKAG-XCHKQJEOSA-N 259.305 1.843 0 50 CDAA CC(C)(C)CNC(=O)C(=O)NCCc1ccccc1 2892239 LBPBNTUZLRLELK-UHFFFAOYSA-N 262.353 1.508 0 50 CDAA COc1ccc(CNC(=O)CSc2cn[nH]n2)cc1 4386596 LIXJSTDOTPSXPD-UHFFFAOYSA-N 278.337 1.222 0 50 CDAA Cc1c(C)n(CCCN(C)C)c2ncn3ncnc3c12 6760121 BGJAIFNCXHWEOU-UHFFFAOYSA-N 272.356 1.648 0 50 CDAA Cc1ccc2[nH]c(CN3CC[C@H](CO)[C@H](O)C3)c(C)c2c1 1857716725 FFSDVIHGZPOKHF-CXAGYDPISA-N 288.391 1.960 0 50 CDAA CCCCCS(=O)(=O)Nc1ccc2nc(C)nn2c1 225666354 GRYCDZBCYRZHSS-UHFFFAOYSA-N 282.369 1.970 0 50 CDAA O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1 2943237 QMUQGQNFJWJNEB-NSHDSACASA-N 266.272 1.059 0 50 CDAA C[C@@H]1CCO[C@H]1C(=O)Nc1cccc(-n2ccnn2)c1 119292485 FDCYNZJEBJVVQY-ZWNOBZJWSA-N 272.308 1.631 0 50 CDAA Cc1cc(C(=O)O)nc(N2CCN(c3ccccc3)CC2)n1 11729753 SQWHXYJUZXYIEL-UHFFFAOYSA-N 298.346 1.810 0 50 CDAA CC(=O)c1ccccc1OCCCN1CCOCC1 20325891 IRXOCFDMNJHJGK-UHFFFAOYSA-N 263.337 1.990 0 50 CDAA CC(C)Cc1ccc(C(=O)N[C@]2(C(=O)O)CCOC2)s1 907611548 XNVBTYINNGDJNB-CQSZACIVSA-N 297.376 1.920 0 50 CDAA Cc1ccncc1C(=O)N1CCc2occc2[C@@H]1C(=O)O 910205577 OHCLXSGYNUYKML-CYBMUJFWSA-N 286.287 1.807 0 50 CDAA O=C(NCc1cocn1)[C@H]1CCN(Cc2ccccc2)C1=O 932275887 ALDWFUPSTYVFHC-CQSZACIVSA-N 299.330 1.340 0 50 CDAA c1cc(CN2CCC(n3cnnc3)CC2)n2nccc2c1 1138808447 VYAGSRRZQJOTMP-UHFFFAOYSA-N 282.351 1.763 0 50 CDAA Cc1nc(C2CC2)ncc1C(=O)NS(=O)(=O)[C@H]1C[C@@H]1C 1875285721 XEBILHQLZZZWPX-CPCISQLKSA-N 295.364 1.130 0 50 CDAA O=C(N[C@@H]1CCC[C@H](C(=O)O)C1)c1cnc(C2CC2)o1 1875286443 SSXPNEZGBIIWDU-VHSXEESVSA-N 278.308 1.925 0 50 CDAA CCN(CCOC(C)(C)C)C(=O)N=c1cc2n([nH]1)CCC2 1875296700 JZSZVSVOHYYJBU-UHFFFAOYSA-N 294.399 1.920 0 50 CDAA CC[C@@H](CC(=O)N(C)C[C@@H](O)C1CC1)CN(C)C 1875279699 SSEDIWMVESEJJW-WCQYABFASA-N 256.390 1.194 0 50 CDAA CNC(=O)c1cccc(-c2nc([C@]3(C)CCCO3)no2)n1 1875260593 UUQUGWYJMYALAP-AWEZNQCLSA-N 288.307 1.517 0 50 CDAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CC[C@@H]32)CS1 1875313306 JYXLQRIBQAQMIQ-WLRJLXCNSA-N 255.339 1.107 0 50 CDAA O=C(N1CCCC1)C1(c2nnc(C3CCC3)o2)CC1 1875309559 CFDGIDZLACZRCP-UHFFFAOYSA-N 261.325 1.991 0 50 CDAA CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2N)C1 236755688 KOYCFHLOCZCNMO-RDBSUJKOSA-N 268.401 1.777 0 50 CDAA C=CC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 888098469 ISRNQYNVNYILHG-FZMZJTMJSA-N 262.284 1.400 0 50 CDAA CNC(=O)c1cc(N2CCC[C@@H]2c2cnn(C)c2)ccn1 892325777 ODZLIAMWQHEUEH-CQSZACIVSA-N 285.351 1.516 0 50 CDAA NC(=O)c1cc(=NC[C@]2(c3ccccc3)C[C@H](O)C2)cc[nH]1 895594655 FJPPWTXWLZYMER-CZIWCDLHSA-N 297.358 1.107 0 50 CDAA Cc1c[nH]nc1CNC(=O)c1ccc(OC(F)F)cn1 1775987845 YQMAMZCESQLDKD-UHFFFAOYSA-N 282.250 1.645 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H](C1CCCC1)C(F)(F)F 249655335 ZHVLDNXMOVTBPP-IWSPIJDZSA-N 279.258 1.944 0 50 CDAA CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CCCS1 259855610 MVTRSHZLRSZPIN-UWVGGRQHSA-N 289.422 1.389 0 50 CDAA C[C@H](C(=O)O)C(=O)N1CCC(c2ccncc2)CC1 263550458 KJCXKEHAIJVTBE-JTQLQIEISA-N 262.309 1.508 0 50 CDAA O=C(O)c1ccc(NS(=O)(=O)C[C@@H]2CCCCO2)cc1 264628632 KBTIBNFDRBPRNA-LBPRGKRZSA-N 299.348 1.696 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2c(F)cccc2F)C1 284989145 YGKBXSAWOQEXFC-VHSXEESVSA-N 285.290 1.116 0 50 CDAA CC(C)(C)[C@@H](CO)NC(=O)c1ncoc1C1CC1 293511815 POYQXAHCXGTFCW-SECBINFHSA-N 252.314 1.689 0 50 CDAA Cn1nc(C(=O)N2CCC[C@H]2C(=O)O)cc1C(F)(F)F 299782411 MTNZVFUZJVLEDX-ZETCQYMHSA-N 291.229 1.128 0 50 CDAA C[C@@H]1C[C@H](C(=O)NC[C@@H](CC2CC2)C(=O)O)CCO1 514868003 ZWSNVGLLVMVEPI-YUSALJHKSA-N 269.341 1.419 0 50 CDAA CCC1(C(=O)O)CCN(C(=O)C2(COC)CCC2)CC1 426493305 VHRDNWRYWHPMMJ-UHFFFAOYSA-N 283.368 1.907 0 50 CDAA CC(=O)NCC1CCN(CC[C@H]2CCOC2)CC1 437688103 PVRHWUJPUQOUOY-AWEZNQCLSA-N 254.374 1.261 0 50 CDAA O=C(NC1(c2nn[nH]n2)CC1)c1cc(F)c(Cl)cc1F 357073698 RUACJAPLJZWHHS-UHFFFAOYSA-N 299.668 1.550 0 50 CDAA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2O)o1 358556054 FUDSOYKHUGHXGR-UHFFFAOYSA-N 297.288 1.793 0 50 CDAA Cn1ccc(N2CC[C@H](N3CCSC(C)(C)C3)C2=O)n1 370236472 RQBOOUYAWFGZNH-NSHDSACASA-N 294.424 1.353 0 50 CDAA COC(=O)c1ccc(N[C@@H]2SC(=O)NC2=O)cc1 1201956 ORKJQPIUBQIRGY-SECBINFHSA-N 266.278 1.194 0 50 CDAA O=C(c1coc(O)n1)N1CCCC[C@H]1c1ncccn1 2325804348 HRHSGEVLKHKMMM-JTQLQIEISA-N 274.280 1.538 0 50 CDAA CO[C@H]1C[C@H](OC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)C1 861301897 XMIOUPLZFFUYAV-JBDRJPRFSA-N 295.257 1.164 0 50 CDAA O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O 77540 MEXVAAGSEKDAHV-OAHLLOKOSA-N 299.326 1.878 0 50 CDAA biogenic CCOC(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2 198165 RGRGZCJAQQQFQX-RNCFNFMXSA-N 256.298 1.440 0 50 CDAA biogenic COC(=O)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 205290 KCFVGPBYSHTOJY-RCOVLWMOSA-N 266.219 1.866 0 50 CDAA CCOc1ccc(NC(=O)CCC(=O)OC)cc1 272177 BLHCQZLSCDFGGD-UHFFFAOYSA-N 251.282 1.977 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccs1 465910 FOHKYBGQFPYEOE-JTQLQIEISA-N 266.322 1.939 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(F)cc1 475647 JZMWDUHFDZNVHL-LLVKDONJSA-N 280.324 1.792 0 50 CDAA OCc1c(I)ccnc1F 2384108 FQCZQIGAGKWNEA-UHFFFAOYSA-N 253.014 1.318 0 50 CDAA CNc1ncccc1CN1CCC[C@@]12CCCNC2=O 2356145045 YGRVFRMQQGFTOW-OAHLLOKOSA-N 274.368 1.368 0 50 CDAA O=C(CSC1=NCCN1)NC1CCCCCC1 3222013 MINNXTQGIRDHAI-UHFFFAOYSA-N 255.387 1.518 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 133069218 CUYGRTDECRNCCA-CYBMUJFWSA-N 299.378 1.400 0 50 CDAA Cc1cc(C)n(C[C@H](C)n2cc(-c3nccn3C)nn2)n1 67649432 IHUDBUQRPTZRAD-LBPRGKRZSA-N 285.355 1.753 0 50 CDAA Cc1ccc(-n2ccc3c(nnc4nc(C)nn43)c2=O)cc1 67630949 BFAHMPSWPJVUJG-UHFFFAOYSA-N 292.302 1.440 0 50 CDAA CCc1cnc([C@H](C)NC(=O)[C@H]2CCNC2)s1 135286368 POULXGOVLDMYEP-IUCAKERBSA-N 253.371 1.492 0 50 CDAA COc1cc(N2CCC[C@]3(CCN(C)C3)C2)ncn1 67712567 OXCPIIGJSUMBJR-CQSZACIVSA-N 262.357 1.407 0 50 CDAA O=S1(=O)CCC[C@@H](Cc2nc(-c3ccon3)no2)C1 328862277 ZQMIHEMROCUNDY-QMMMGPOBSA-N 283.309 1.092 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnsn1 250777925 QHKLZRDNPQJFTP-QNSHHTMESA-N 281.337 1.396 0 50 CDAA Cc1cc(CN(C)S(=O)(=O)Cc2nocc2C)no1 1363748837 BCJFXRWMXSUJEF-UHFFFAOYSA-N 285.325 1.241 0 50 CDAA O=C(N[C@@H]1CCC(O)=NC1=O)c1ccnn1C1CCCC1 328958218 POCLHUHDXPXVEQ-SNVBAGLBSA-N 290.323 1.374 0 50 CDAA COc1cc(C(=O)NC[C@@H]2CCN(C)C2)c2ccccc2n1 67723729 LAPNYWFIDLSUFR-LBPRGKRZSA-N 299.374 1.925 0 50 CDAA Cc1nn(C)c(C)c1C(=O)NCC(=O)c1cccs1 125922577 ZQTBTQDDHNJCHR-UHFFFAOYSA-N 277.349 1.711 0 50 CDAA O=C(N[C@H]1C[C@H](O)c2cc3c(cc21)OCO3)C(F)(F)F 1399335 RSKSCGPPHLZLMQ-YUMQZZPRSA-N 289.209 1.572 0 50 CDAA COCCN(C(=O)c1ccc2ncoc2c1)[C@H]1CCOC1 252479323 BCZASYFYISQDBU-LBPRGKRZSA-N 290.319 1.705 0 50 CDAA NC[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Cl 123946533 NHENOVVXOQTHDV-SECBINFHSA-N 292.763 1.591 0 50 CDAA CNCC(=O)NCCSc1ccc(Cl)cc1 71750852 MFRQHRFBXZMDIE-UHFFFAOYSA-N 258.774 1.768 0 50 CDAA Cc1noc(C)c1C(C)(C)C(=O)NCc1ccno1 331226936 NPKWTSOUUQZBHF-UHFFFAOYSA-N 263.297 1.873 0 50 CDAA Cc1sc2ncn(CCN3CCOC3=O)c(=O)c2c1C 31628177 AFJXINXYFLNUBD-UHFFFAOYSA-N 293.348 1.527 0 50 CDAA O=C(Cc1ccn[nH]1)Nc1cnn(-c2ccccc2F)c1 130511527 AZDYBOHOJCEBBJ-UHFFFAOYSA-N 285.282 1.916 0 50 CDAA Cc1cnc(N[C@H]2CCc3nnc(C)n3C2)nc1C 361216697 UJQJQXVAILPDTN-NSHDSACASA-N 258.329 1.420 0 50 CDAA Cc1cc(NC(=O)CN2CCC[C@H]2c2ncc[nH]2)n(C)n1 375006527 VDVCMIIFDXCZDQ-NSHDSACASA-N 288.355 1.227 0 50 CDAA COC[C@H]1CCCN1C(=O)c1cccc(-n2cnnc2)c1 214960747 FUJBETMEPNWIDB-CQSZACIVSA-N 286.335 1.518 0 50 CDAA O=C(O)C1(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1 154924380 OWJBKBKFZKOZJV-ZDUSSCGKSA-N 273.332 1.942 0 50 CDAA COC1(CC(=O)N2CCC[C@@H]2c2nncn2C)CCC1 365072951 OSIVVVPGVQEQNY-LLVKDONJSA-N 278.356 1.438 0 50 CDAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cnc(O)cn1 218901178 VOROVRSEHXZLFG-LLVKDONJSA-N 288.307 1.764 0 50 CDAA O=C([C@H]1NCc2ccccc21)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71751384 YITSFMJBJGVKPU-OTJKEOIZSA-N 284.359 1.467 0 50 CDAA CCOCC(=O)Nc1ncn(C2CCCCC2)n1 182690862 UVIKKOYCBDMPJC-UHFFFAOYSA-N 252.318 1.758 0 50 CDAA CCn1ncnc1CN(C)[C@@H](C)Cc1cnccn1 215224986 DQCQTLLXGMCRBR-NSHDSACASA-N 260.345 1.151 0 50 CDAA C[C@H]1COCC[C@@H]1NC(=O)CCOC1CCOCC1 333003199 VXFQBCMCBOKKQV-AAEUAGOBSA-N 271.357 1.113 0 50 CDAA CNC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 237243425 LODYYDVURZSESA-XJKSGUPXSA-N 287.407 1.159 0 50 CDAA O=C(NC[C@@H]1CNCCCO1)NC[C@@H]1C[C@H]1C1CCC1 333632359 VWSWFPLXAREARV-IHRRRGAJSA-N 281.400 1.100 0 50 CDAA Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)c1 31816018 FBFVSJIWWHKCBK-LBPRGKRZSA-N 299.334 1.725 0 50 CDAA CCn1nnc(C)c1C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1 333962045 MOUWVJHQIPMTLS-TZMCWYRMSA-N 274.368 1.867 0 50 CDAA Cc1nc2n(c1C)CCN(C(=O)[C@H](N)c1ccccc1)C2 376211069 ONDNGTZHEPJPFO-OAHLLOKOSA-N 284.363 1.542 0 50 CDAA CSc1ncc(C(=O)N[C@H](C)c2n[nH]c(C)n2)cn1 219383641 LBMOYCZYRTUQMP-ZCFIWIBFSA-N 278.341 1.116 0 50 CDAA COc1ccc2[nH]c(C(=O)N3CCOC[C@@H](O)C3)cc2c1 77504201 LVWMGCSCOYBYBY-NSHDSACASA-N 290.319 1.010 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@H](C)CC(=O)O 262167215 OFIHPCVMDJORLX-BDAKNGLRSA-N 281.356 1.367 0 50 CDAA CC1(CNC(=O)N2C[C@H]3CCC[C@H]32)CCNCC1 334933310 FVLJFTLVDSJQHN-VXGBXAGGSA-N 251.374 1.570 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)C[C@@H](O)c2cccc(F)c2)C1 238105330 MMKJBPRKRKBEMV-DGCLKSJQSA-N 295.310 1.572 0 50 CDAA CC(=O)[C@](C)(O)CN1CCC(Oc2ccncc2C)CC1 450868209 ILGLZKFFGXADBD-MRXNPFEDSA-N 292.379 1.573 0 50 CDAA Cc1c(Cl)c(CN2CC[C@H]([C@@H](C)N)C2)nn1C 335558660 XSEDDSTZFZPYSN-SCZZXKLOSA-N 256.781 1.551 0 50 CDAA Cc1cc[nH]c1C(=O)N1CCO[C@@]2(CCCOC2)C1 285765876 BOCFVVUDJWFKBM-AWEZNQCLSA-N 264.325 1.345 0 50 CDAA CCCCOc1ccc(S(=O)(=O)NCCO)cc1 41096094 DAXIIKFRXQQZPL-UHFFFAOYSA-N 273.354 1.136 0 50 CDAA CC(C)[C@@H]1CN(C(=O)NCCn2cccn2)CCCO1 458430708 VUWRJUDBLOFPKA-ZDUSSCGKSA-N 280.372 1.340 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC1CCCCCCC1 225644260 OSULCULODZEJKV-YIYPIFLZSA-N 293.363 1.870 0 50 CDAA CN(C)Cc1ccnc(NC(=O)CC2CCOCC2)c1 176945062 DANPLIIRVCYFGQ-UHFFFAOYSA-N 277.368 1.898 0 50 CDAA Cc1nc2n(n1)C[C@@H](Nc1cccc(C(=O)O)n1)CC2 263402235 JKQNWYUFEZCYMX-VIFPVBQESA-N 273.296 1.107 0 50 CDAA COCc1nc(C)cc(N(C)C[C@H](C)C(=O)O)n1 263562809 SWUPKAZZTRAAOJ-QMMMGPOBSA-N 253.302 1.088 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1ccc2nccn2c1 223225858 IPMSVLYTZYSEGQ-CYBMUJFWSA-N 283.335 1.739 0 50 CDAA CN(CCCn1cccn1)c1cc(C2CC(N)C2)ncn1 222261340 IPEIVJVFZKKUKY-UHFFFAOYSA-N 286.383 1.404 0 50 CDAA Cc1cc(C)n(CCCC(=O)NC(C)(C)C(=O)O)n1 426551897 AJTPYALNOGBSMQ-UHFFFAOYSA-N 267.329 1.260 0 50 CDAA C[C@]1(CC(=N)O)NC(=S)N(c2ccccc2)N1 334161079 SKRRHBFMDKQBIS-NSHDSACASA-N 250.327 1.527 0 50 CDAA CN(C)c1ccc(-c2c(N3CCCC3)cnnc2O)cn1 426578609 NVOKVNVYQLWFMH-UHFFFAOYSA-N 285.351 1.910 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)C[C@H]1CCOC1 426510179 SGZXICZKDVEXLX-LLVKDONJSA-N 275.308 1.608 0 50 CDAA CC(C)(O)CCN1CCCNC(=O)[C@H]1Cc1ccccc1 292830251 ALKMWWWHHBYAOH-OAHLLOKOSA-N 290.407 1.581 0 50 CDAA COCc1cc(CN2C[C@]3(CCOC3)CCC2=O)n[nH]1 91848987 OQGJCLFIGJIVMN-CQSZACIVSA-N 279.340 1.085 0 50 CDAA Cc1ccc([C@@H](C(=O)N2CCC(O)CC2)N(C)C)cc1 95357835 QKWFZKYVGRTHIO-HNNXBMFYSA-N 276.380 1.581 0 50 CDAA CCN1CCC[C@](C)(C(=O)NCCc2nnc(C)s2)C1 95391662 XTOHTZYMFHOPNG-AWEZNQCLSA-N 296.440 1.627 0 50 CDAA Cn1c(=O)n(C)c2cc(CNc3nnc(C4CC4)o3)ccc21 91663465 NCEICANJGWMKFK-UHFFFAOYSA-N 299.334 1.750 0 50 CDAA N[C@H]1[C@H]2C[C@@H]3C(=O)N[C@@H]1[C@@H]3C21CC(OCc2ccccc2)C1 601012422 GPNUZNKNORAYRX-YLYNSEKISA-N 298.386 1.444 0 50 CDAA C[C@H]1CN(C(=O)CC[C@@H](N)c2ccccc2)C[C@@H](C)N1 299739350 NNGBRDKTYSUVSJ-VNHYZAJKSA-N 275.396 1.675 0 50 CDAA O=C(C[C@@H]1CCOC1)NCc1ccc(C(=O)O)cc1 299753666 YXLPOWMMQMKFFA-NSHDSACASA-N 263.293 1.428 0 50 CDAA COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1C[C@H]1C(=O)O 299753405 YDIOUJZEAUWVDV-XHNCKOQMSA-N 281.283 1.732 0 50 CDAA CCc1cc(CNS(=O)(=O)N2CCCCC2)on1 607362232 DJMXJDUPKJUXSX-UHFFFAOYSA-N 273.358 1.057 0 50 CDAA O=C(NCC1(N2CCCC2)CCCCC1)C1CCNCC1 534660514 CNUVOFQDKMZPQJ-UHFFFAOYSA-N 293.455 1.901 0 50 CDAA O=C(C[C@H]1CCCOC1)NCC1(CN2CCCC2)CC1 534584952 WXOISIRIOHDZOG-CQSZACIVSA-N 280.412 1.795 0 50 CDAA CC[C@H](NC(=O)c1c(C)ncnc1C)c1ncnn1CC 534637760 AGNISFZUEZJROU-NSHDSACASA-N 288.355 1.586 0 50 CDAA Cc1cc(C)c2c(c1)C(=O)N1C[C@H](N(C)C)C[C@H]1C(=O)N2 534579070 MHOLUZNKSLQDJD-YPMHNXCESA-N 287.363 1.400 0 50 CDAA CCCCS(=O)(=O)N[C@H](C)c1ncnn1CCC 534640896 XZKVRRVENFQQPD-SNVBAGLBSA-N 274.390 1.469 0 50 CDAA C[C@@H](Cc1cnccn1)N(C)C(=O)CCc1cccnc1 299791794 DKVBUOIRACKHBP-ZDUSSCGKSA-N 284.363 1.894 0 50 CDAA CCN1CCn2nc(CNc3cnccn3)cc2C1 299787269 SJKPUIPPBNXKSR-UHFFFAOYSA-N 258.329 1.121 0 50 CDAA CC(C)C[C@H](NC(=O)C1CCN(C(C)C)CC1)C(N)=O 821396969 ZSNKXCMPEXZASM-ZDUSSCGKSA-N 283.416 1.123 0 50 CDAA CN(C[C@H]1CCCO1)S(=O)(=O)CC1CCCC1 823723053 QQUJALJVFNQMIS-GFCCVEGCSA-N 261.387 1.617 0 50 CDAA C/C=C(\C)CN1CCC[C@H](CNC(=O)CN2CCCC2)C1 820390619 SEUYDHDGYNLQKG-RNSFGAQFSA-N 293.455 1.877 0 50 CDAA O=C1OC[C@@H]2CN(C3Cc4ccccc4C3)CCN12 828322834 KHWXTUIIFPDQRZ-AWEZNQCLSA-N 258.321 1.290 0 50 CDAA C=Cc1cc2c(N3CCOCC3)nc(C=C)nn2c1 498050882 KXHCMTFUPXHDHG-UHFFFAOYSA-N 256.309 1.852 0 50 CDAA C/C=C/CC(=O)N[C@@H]1CCCN(c2cnccn2)C1 584893284 JBMLKMXNUXXSRR-QAVQXKDTSA-N 260.341 1.528 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)c2csc(=N)[nH]2)c1 584892037 QPSSLMWCRRAGAE-UHFFFAOYSA-N 276.365 1.840 0 50 CDAA CNC(=O)C[C@H]1CCN(C(=O)c2cccn2C(C)C)C1 584904120 NWQHZPLZXIECBG-GFCCVEGCSA-N 277.368 1.667 0 50 CDAA CN(CC1(CO)CCCC1)C(=O)C[C@H]1CCCCN1C 584897475 XAPGSEXJTJSPHJ-CQSZACIVSA-N 282.428 1.872 0 50 CDAA Oc1cc(N2CCNCC2)c(-c2ccccc2)nn1 63110790 BTLOOVKBRJZVLB-UHFFFAOYSA-N 256.309 1.259 0 50 CDAA in-vitro C[C@@H](Cn1cccn1)C(=O)NCCCc1ccco1 952965869 AVGOIPFQAZCXDG-LBPRGKRZSA-N 261.325 1.861 0 50 CDAA CCOc1ncccc1C(=O)N[C@H]1c2ccccc2C[C@H]1O 305128544 PZFSRBPBZJEWOL-CABCVRRESA-N 298.342 1.868 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 268907568 DLFCGFHYSQCJRQ-RWMBFGLXSA-N 295.310 1.883 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2cnc(-c3ccco3)s2)C1 269186692 MUAHKBJIVMZIMI-MRVPVSSYSA-N 292.316 1.950 0 50 CDAA C/C(=C\c1ccccc1)CN1CC[C@@]2(C1)NC(=O)N(C)C2=O 271171595 MFSJXEWOQNPMMY-RTGRKSDTSA-N 299.374 1.716 0 50 CDAA CSCC[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)O 170612796 TYUJHPLLXCITSF-BJDJZHNGSA-N 255.383 1.995 0 50 CDAA CCc1cnc(CC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[nH]1 635623204 NWVPEPXKJOAYSY-GLQYFDAESA-N 291.395 1.834 0 50 CDAA O=C(c1ccccc1-c1cn[nH]c1)N1CC[C@@H]2CCN[C@@H]2C1 638204287 YTSYQIPBYGPOAH-BLLLJJGKSA-N 296.374 1.901 0 50 CDAA O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccns1 705325163 LCCANUPTPVVPPS-PWSUYJOCSA-N 260.318 1.531 0 50 CDAA CCc1cnc(CNC(=O)C2(N(C)C)CC2)s1 669292530 UWDAAMAPBOEBRP-UHFFFAOYSA-N 253.371 1.416 0 50 CDAA O=C(C[C@@H]1COCCN1)Nc1cccc2c1CCCC2 72152204 NYMWAGOWUHBKBR-CYBMUJFWSA-N 274.364 1.882 0 50 CDAA Cc1nc([C@H](C)Nc2ncnc3onc(C)c23)n[nH]1 672337592 OSFVUMPYYOMPIV-LURJTMIESA-N 259.273 1.526 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc(OC)cc1 643847529 JEXVJVVHRDPRJS-HNNXBMFYSA-N 293.319 1.401 0 50 CDAA CCN(CC)C(=O)CN(C)c1cc(N2CCCC2)ncn1 192266752 GUZORKJOLQKWGJ-UHFFFAOYSA-N 291.399 1.381 0 50 CDAA CCc1nsc(N2[C@H]3CC[C@@H]2CN(C)CC3)n1 585092136 GKJMHRFJHFQQSF-VHSXEESVSA-N 252.387 1.773 0 50 CDAA COC(=O)[C@H]([C@H](C)O)N(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585089939 WMVMTGQHJPSNTF-JNLQPACOSA-N 283.368 1.194 0 50 CDAA Cc1n[nH]cc1C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653333737 SONFFOJEIBCIDE-YPMHNXCESA-N 285.303 1.761 0 50 CDAA FC(F)(F)c1nsc(NCCc2cc[nH]n2)n1 714530250 BZQJYWIDMRFWGW-UHFFFAOYSA-N 263.248 1.935 0 50 CDAA N#Cc1cccc(CN2CCC[C@@]23CCNC3=O)c1 568176953 JIPWDMPBHTZHIH-HNNXBMFYSA-N 255.321 1.413 0 50 CDAA Cc1cc(C(F)(F)F)nc(N2CC(=O)N[C@H](C)C2)n1 572711419 WOUQRUGJARPJGW-SSDOTTSWSA-N 274.246 1.129 0 50 CDAA Cc1ccc(C(=O)NC(C)(C)C(=O)N2CCCC2)cc1O 794405753 BVOLPDZDDRGQFV-UHFFFAOYSA-N 290.363 1.831 0 50 CDAA C[C@]1(c2ccccn2)Nc2ccccc2-c2nnnn21 1615054978 DLSOXOPJKCFKKS-AWEZNQCLSA-N 264.292 1.882 0 50 CDAA N[C@@H]1CC12CCC(NC(=O)CCc1ccon1)CC2 1615545350 FSZSNDQJPONPSD-KSGYAGIASA-N 263.341 1.383 0 50 CDAA COc1nccnc1N[C@@H]1CCCN(c2ncccn2)C1 1506401569 JQUOSHCJHANZKB-LLVKDONJSA-N 286.339 1.356 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)N)C1 221210041 XKCHECPTLKRQOW-UPJWGTAASA-N 289.445 1.165 0 50 CDAA Cc1cc(CN(C)C(=O)c2n[nH]c(C)c2Cl)no1 1857691583 RAWFXHQQTPGQBD-UHFFFAOYSA-N 268.704 1.940 0 50 CDAA CC1(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 1529098596 JEFUJIVOZPNJHO-ZIAGYGMSSA-N 275.348 1.748 0 50 CDAA CCCCNC(=O)CN1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 110649039 CDHBHYQVUMQZFV-YVECIDJPSA-N 252.358 1.012 0 50 CDAA CCN(C)CCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704351337 HICHAVCSLXFVHU-HUUCEWRRSA-N 291.395 1.097 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3cccnc3C)C[C@H]2O)on1 1704327236 AUSMXNCBDSPTDK-GDBMZVCRSA-N 287.363 1.722 0 50 CDAA Cc1ccc2c(N3CCNC(=O)C3)ccnc2c1C 1704306598 VMSLUJIZEUBUEZ-UHFFFAOYSA-N 255.321 1.788 0 50 CDAA CCCn1nnc(NC(=O)c2cc(Cl)ccc2OC)n1 470859 PHMAXTXLMXREDQ-UHFFFAOYSA-N 295.730 1.997 0 50 CDAA CCc1ccc2c(c1)/C(=C1/SC(=N)NC1=O)C(=O)N2 19762157 ADZCRCURJYAQHM-KTKRTIGZSA-N 273.317 1.710 0 50 CDAA Cn1nc2c(c1C(=O)O)CN(C(=O)OC(C)(C)C)CC2 169795004 WGLMMFQNSHAYSW-UHFFFAOYSA-N 281.312 1.412 0 50 CDAA CCOc1ccnc(N2CCC[C@@H](CCN)C2)n1 164807531 CSHRGPXTQVJDAM-NSHDSACASA-N 250.346 1.441 0 50 CDAA CCc1c(C)sc2ncn([C@@H](C)CO)c(=O)c12 43088959 XMHQRDKEKIZWQV-ZETCQYMHSA-N 252.339 1.882 0 50 CDAA BrC1=NC2=NN=C(c3ccccc3)CN2N1 205621669 HPSWAGSSFGSZRG-UHFFFAOYSA-N 278.113 1.331 0 50 CDAA COc1cnc(C)cc1C(=O)NCc1nnc2ccccn12 1857671453 XWJGVQJZNFVORH-UHFFFAOYSA-N 297.318 1.371 0 50 CDAA CCc1ncnc(N2CCN3C(=O)OC[C@]3(CC)C2)c1F 1857684655 WTOKFZWDMHEBBQ-AWEZNQCLSA-N 294.330 1.599 0 50 CDAA CCOC(=O)Cn1nc(-c2ccccc2)ccc1=O 259796 MFPRPULKPSOYTD-UHFFFAOYSA-N 258.277 1.473 0 50 CDAA Cc1ncccc1CN1C[C@@H](O)[C@H](Cc2ccccn2)C1 1875250511 HFPAROQCENUPJT-NVXWUHKLSA-N 283.375 1.820 0 50 CDAA NCC[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1 226661136 HWJYHIYGPVAHCD-DLBZAZTESA-N 292.423 1.767 0 50 CDAA Cc1c(COC(C)C)cccc1NC(=O)[C@H]1COCCN1 236597036 JPILZZGVYVIQTM-OAHLLOKOSA-N 292.379 1.847 0 50 CDAA Cn1cnc(S(=O)(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)c1 333103289 QJDRYRHAWSSZEH-OWTLIXCDSA-N 295.408 1.477 0 50 CDAA Cn1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)ccc1=O 237756762 ZWBRKDVECYMXJL-LLVKDONJSA-N 292.335 1.102 0 50 CDAA CC1(C)C[C@@H](NCc2nncn2-c2ccccc2)CO1 557182964 YCGWZVRDAFDHDT-GFCCVEGCSA-N 272.352 1.924 0 50 CDAA CC(C)(C)CN(CC(=O)O)C(=O)c1cn2ccccc2n1 663137190 VCFIPYHUPHPOTM-UHFFFAOYSA-N 289.335 1.907 0 50 CDAA Cc1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)n(C)n1 250877614 NZYVDIYJFRFMQN-LOWVWBTDSA-N 291.351 1.586 0 50 CDAA CCCN(CC(=O)O)C(=O)c1cnn2c1C[C@@H](C)CC2 567899279 WJIGNRDTEZZVKV-JTQLQIEISA-N 279.340 1.402 0 50 CDAA Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc[nH]n1 155209607 NBPMVIHTMXZDFJ-UHFFFAOYSA-N 287.323 1.202 0 50 CDAA CC(C)[C@@H](NC(=O)CC1CCSCC1)C(=O)O 157542551 QJESTCMNIDSGRF-LLVKDONJSA-N 259.371 1.745 0 50 CDAA C[C@@H]1Oc2c(cccc2C(=O)N2CCn3nccc32)NC1=O 375574170 LWWLWYIEAIJOHM-VIFPVBQESA-N 298.302 1.263 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@](C)(O)[C@@H](C)O 585121272 KRBDMJQTBBTXRL-IAQYHMDHSA-N 296.367 1.009 0 50 CDAA CCc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)oc1CC 263341980 XVZHNKDQGCXZOP-LLVKDONJSA-N 295.335 1.720 0 50 CDAA CNC(=S)N1CCN(c2ccccc2F)CC1 414878 KMAXVDZUFHYELJ-UHFFFAOYSA-N 253.346 1.452 0 50 CDAA COc1cc(CNc2cccc3c2CCNC3=O)on1 902088930 XEFKOBZRLDXBJM-UHFFFAOYSA-N 273.292 1.581 0 50 CDAA CC(C)C(=O)N1CCN(C(=O)c2ccco2)CC1 12381845 IECCTIKNEGOJIL-UHFFFAOYSA-N 250.298 1.220 0 50 CDAA c1ccc(Cn2nnnc2N2CCC[C@H]2[C@H]2CCCO2)cc1 952850499 XITSLKIRUIIKPN-LSDHHAIUSA-N 299.378 1.869 0 50 CDAA CN(C)C(=O)[C@@H]1CCN(C[C@H]2COC3(CCCCC3)O2)C1 952883222 YAGHHSLSIIVZSL-KGLIPLIRSA-N 296.411 1.472 0 50 CDAA CCCn1cnc(NS(=O)(=O)c2c(C)noc2C)c1 1875280156 XGQKWJFQFCPXBQ-UHFFFAOYSA-N 284.341 1.699 0 50 CDAA Cc1cc(=N[C@@H]2C[C@H]2CO)[nH]c(N(C)c2ccccc2)n1 1875275965 WFCDFOVGTJEUQM-GXTWGEPZSA-N 284.363 1.768 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H]1CC12CC(F)(F)C2 1875333337 OYGRCMHZRRKJLW-UFUPEUMYSA-N 259.252 1.267 0 50 CDAA COC(=O)/C=C/CCNC(=O)CCc1nn(C)cc1Cl 1875314049 FNSLBPLBKCIBID-HWKANZROSA-N 299.758 1.242 0 50 CDAA CC1(C)OC[C@H]2C[C@@]21NC(=O)/C=C/CN1CCCC1 1875337978 KZHYADGMPQJPSS-OBLPCYNLSA-N 264.369 1.322 0 50 CDAA CN1CCC[C@H]1CN(C=O)Cc1ccc(-n2cccn2)cc1 1875324780 AUTXRWJVRPIMGK-KRWDZBQOSA-N 298.390 1.925 0 50 CDAA CCc1noc(COC2CN([C@H](C)c3ccccn3)C2)n1 886096587 FHISKVRXXOTXEU-LLVKDONJSA-N 288.351 1.989 0 50 CDAA CC[C@](C)(NCc1cccc2c1OC(F)(F)O2)C(N)=O 888093981 RDKRXESXMALQAN-LBPRGKRZSA-N 286.278 1.752 0 50 CDAA N[C@H]1CC12CC(NC(=O)c1ccc3[nH]ccc3n1)C2 1775961141 BSWWVILFPLSYHU-ZAQGZADTSA-N 256.309 1.173 0 50 CDAA Cn1cc(NC(=O)c2ccc3c(c2)NC(=O)NC3)cn1 1776003537 WIXCODWOLBLANN-UHFFFAOYSA-N 271.280 1.308 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N[C@@H]2CCn3cncc32)c1 899331338 LOXUUKQCJTYUQE-GFCCVEGCSA-N 296.334 1.197 0 50 CDAA O=C(c1cncc(Cl)c1)N1CCC[C@@H](O)CC1 307863273 ZASUEBSWLSCFJV-LLVKDONJSA-N 254.717 1.722 0 50 CDAA Nc1ccnc(N2CCC[C@@H](CN3CCCCC3)C2)n1 96163593 FWSQLYGTTBMKCU-ZDUSSCGKSA-N 275.400 1.761 0 50 CDAA CCCC[C@H](CC(=O)O)NC(=O)c1nn(C)cc1Cl 426497420 VJSDBLOWKIJREY-MRVPVSSYSA-N 287.747 1.837 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)CC3CCCCC3)C[C@H]21 426510215 VJKFDTCQBLELQM-PJXYFTJBSA-N 251.326 1.746 0 50 CDAA CCc1cnc(NCCN2CCCOC2=O)nc1 95362105 QSIIQRIQTMMTGH-UHFFFAOYSA-N 250.302 1.293 0 50 CDAA COc1ccccc1N(C)C(=O)C1CC(C(=O)O)C1 682700575 NALCMWUJLKSUEO-UHFFFAOYSA-N 263.293 1.769 0 50 CDAA COC(=O)c1cnc(NCCCOC(C)C)cn1 383479554 UCNMYIAYQSPGPD-UHFFFAOYSA-N 253.302 1.490 0 50 CDAA Cc1nc(CN(C)Cc2nc(C(C)C)ns2)no1 930241079 FCAXPANCOSLZSB-UHFFFAOYSA-N 267.358 1.985 0 50 CDAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1n[nH]c2ccccc12 1074602446 QHSYHELADIYRKG-XXILOJSOSA-N 257.293 1.470 0 50 CDAA O=C(NCCCc1ccc(O)cc1)[C@H]1CC[C@@H](F)CN1 2325795641 QUQVWHICVSHPRQ-TZMCWYRMSA-N 280.343 1.531 0 50 CDAA N[C@H]1CCCN(S(=O)(=O)[C@H]2CCc3ccccc3C2)C1 2325801108 WIUJYAUJLJLSNW-GJZGRUSLSA-N 294.420 1.297 0 50 CDAA NC(=O)COC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 2325873413 GHJAWTFBNUTPEJ-UHFFFAOYSA-N 295.298 1.872 0 50 CDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 220659 XHOULTDWDCXAOM-LLVKDONJSA-N 288.413 1.107 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)cc1 247057 DNBHSCLUHQKGMD-GFCCVEGCSA-N 285.365 1.773 0 50 CDAA O=C(NC(=S)N[C@@H]1CCSC1=O)c1ccccc1 315089 WMHFSUFMUFBHBR-SECBINFHSA-N 280.374 1.323 0 50 CDAA O=C1CC(=O)N(c2ccc(Br)cc2)C(=S)N1 448920 PHYLNDIMDOKVHI-UHFFFAOYSA-N 299.149 1.587 0 50 CDAA O=C1c2ccccc2S(=O)(=O)N1Br 2020481 QRADPXNAURXMSB-UHFFFAOYSA-N 262.084 1.141 0 50 CDAA in-vitro Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 2569188 HFOCBGXBEVGCMW-UHFFFAOYSA-N 266.366 1.682 0 50 CDAA c1ccc([C@H]2CN(Cc3ccn4ncnc4c3)CCO2)nc1 2356167128 TVKPKCHSQCAFIC-OAHLLOKOSA-N 295.346 1.698 0 50 CDAA C[C@@H](CS(C)(=O)=O)N1CC2(COc3ccccc3C2)C1 2356168798 NYYLOKIRRXMFNU-LBPRGKRZSA-N 295.404 1.357 0 50 CDAA O=C(N[C@@H](c1ccccc1)C1CC1)[C@H]1C[C@H]1C(=O)O 224705626 NJHWOZQDGGYJMA-XQQFMLRXSA-N 259.305 1.975 0 50 CDAA CCc1ncc(CN2CCO[C@]3(CCCOC3)C2)cn1 414435919 GCCQGXQRPGAWRT-OAHLLOKOSA-N 277.368 1.420 0 50 CDAA N[C@@H]1CC[C@H](C(=O)NCCC2=CSC3=NCCCN23)C1 102553732 PMOXOLKKZQGNKI-WDEREUQCSA-N 294.424 1.270 0 50 CDAA Cc1cc(N2CCCC[C@@H]2c2nc[nH]n2)nc(C)n1 133865554 CPDXVTQUFMJWOH-LLVKDONJSA-N 258.329 1.943 0 50 CDAA Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 101811400 XAFNYBNQKQMFSH-FDYHWXHSSA-N 257.289 1.662 0 50 CDAA CCOC[C@H](C)N[C@H]1CCO[C@@H]1c1ccnn1C 344259526 MPZXPKPXJMQDPU-GVXVVHGQSA-N 253.346 1.265 0 50 CDAA CC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CN3CCC2CC3)c1C 65406968 NTIUOJMNCOPVGS-CYBMUJFWSA-N 289.379 1.658 0 50 CDAA C[C@@H](NC(=O)CCc1ccccn1)c1cnn(C)c1 118985656 RFLKXPOGJUNWMF-LLVKDONJSA-N 258.325 1.625 0 50 CDAA CSCC[C@@H](CO)Nc1ncc(C)c(N(C)C)n1 65380287 AXWLUJGSOMAPKG-JTQLQIEISA-N 270.402 1.377 0 50 CDAA CC(C)O[C@H]1CN(C2CCC3(CCNCC3)CC2)C[C@@H]1O 67784585 QBVFOVRKECUTJN-HOTGVXAUSA-N 296.455 1.769 0 50 CDAA O=S(=O)(NCc1ccccn1)c1cccc(F)c1 466237 KYMCKHJBZBJBAU-UHFFFAOYSA-N 266.297 1.699 0 50 CDAA C=CC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 328594327 BTCGSKFZKBIBPA-JTQLQIEISA-N 263.293 1.265 0 50 CDAA O=c1c2ccccc2nnn1CCCn1ccnc1 20745549 IIQWKMWSBWBVNV-UHFFFAOYSA-N 255.281 1.078 0 50 CDAA CCc1cnccc1C(=O)NCCn1c(C)nnc1S 137220550 CLVQNOOJFMIBFW-UHFFFAOYSA-N 291.380 1.263 0 50 CDAA Cc1ccoc1CN1CCN(c2ncccn2)CC1 65493637 GXNJEJKIFFKSFN-UHFFFAOYSA-N 258.325 1.700 0 50 CDAA C[C@H](NC(=O)C1(C(=O)O)CC1)[C@@H]1COc2ccccc21 119012438 UPAKWFCSYSWATA-ONGXEEELSA-N 275.304 1.532 0 50 CDAA C[C@H]1CN(c2ncnc3[nH]ccc23)C[C@@]2(CCOC2)O1 280181049 IAGYMIXYGWVFOQ-IINYFYTJSA-N 274.324 1.342 0 50 CDAA CNCC(=O)N[C@H](C)c1nc2c(s1)CCCC2 71738856 LMHVWBHSHYSIIN-MRVPVSSYSA-N 253.371 1.419 0 50 CDAA CSC[C@@H](O)CN1C(=O)NC(C(C)C)(C(C)C)C1=O 253432248 JOBNRZIWBBRTFM-JTQLQIEISA-N 288.413 1.313 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1[nH]nc(C)c1Cl 219257551 ZTRFESKZROAELJ-RKDXNWHRSA-N 287.747 1.295 0 50 CDAA C[C@]12CCN(C(=O)C3(S(C)(=O)=O)CC3)C[C@H]1C2(F)F 329089261 IKSAVRSEHKOEBY-SCZZXKLOSA-N 293.335 1.067 0 50 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1.054 0 50 CDAA CCNc1nc(C)cc(N2CC[C@H](C)[C@@H](CO)C2)n1 700453935 BAZWCVRSWRPNHS-CMPLNLGQSA-N 264.373 1.672 0 50 CDAA CC1(C)C[C@@H](O)CCN(S(=O)(=O)CC2CCCC2)C1 333049008 GHDSVFSZSVIAJK-ZDUSSCGKSA-N 289.441 1.989 0 50 CDAA CCNC(=O)c1ccc(NCc2ncnn2CC)cc1 634305343 NULADEOMKYTPLT-UHFFFAOYSA-N 273.340 1.660 0 50 CDAA COCC[C@H]1CCCN(C(=O)c2cncc(O)c2)C1 584891806 ZZLKXYJUJLQNAJ-LLVKDONJSA-N 264.325 1.676 0 50 CDAA Nc1ncnc2c1ncn2CCNCCc1ccccc1 3999871 OSYGQVBMAWMOPA-UHFFFAOYSA-N 282.351 1.241 0 50 CDAA biogenic CN1C(=O)[C@](O)(CC(=O)c2ccncc2)c2ccccc21 93902 XUIAUYKSLVYHGP-INIZCTEOSA-N 282.299 1.519 0 50 CDAA COC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1 1462673 CZUUMOMICYTMLF-UHFFFAOYSA-N 283.227 1.735 0 50 CDAA O=C1OC[C@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]12 2356161680 FLNUZLPVGQBKEP-NXEZZACHSA-N 295.722 1.674 0 50 CDAA O=C(COc1ccccc1)N[C@H](O)C(Cl)(Cl)Cl 4159907 HCBRIMNQQVCEQR-SECBINFHSA-N 298.553 1.870 0 50 CDAA O=C1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CN1 110342305 FPOPSVIABLBAKI-ZCFIWIBFSA-N 256.664 1.554 0 50 CDAA COC(=O)[C@H](O)CNc1ccc(C(F)(F)F)cn1 225591449 DHJZYLJPDXKZMW-SSDOTTSWSA-N 264.203 1.046 0 50 CDAA Cc1cc(Cl)ccc1NC(=O)C[C@H]1NCCNC1=O 9225470 CETWXZJMEUQJDG-LLVKDONJSA-N 281.743 1.065 0 50 CDAA Cc1n[nH]cc1CN[C@@H](C)C(=O)Nc1ccccc1 112100002 UTQXOTWCPIFLQP-NSHDSACASA-N 258.325 1.835 0 50 CDAA COC(=O)C12[C@H]3C=C[C@H]4C3C3[C@H]1C=C[C@H]3C42C(=O)OC 101003060 CHIWLBJLZHMOAV-UPQAEXMBSA-N 272.300 1.183 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cnoc1C 345804284 ISMVCIYHLQVTMP-RBSFLKMASA-N 280.368 1.999 0 50 CDAA CCc1ncc(C(=O)NCCOc2ccccc2)cn1 65458187 ZJULBVJGCBWZOE-UHFFFAOYSA-N 271.320 1.848 0 50 CDAA Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1ncc[nH]1 67676126 WOKFCTUWZUZIRT-MRVPVSSYSA-N 273.340 1.915 0 50 CDAA COc1ccc(Cc2nnc(S)[nH]2)c(OC)c1 20447630 IEPAKXNHZMVLIO-UHFFFAOYSA-N 251.311 1.701 0 50 CDAA CNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20456245 ONUAWFQBTZNMNH-UHFFFAOYSA-N 296.392 1.362 0 50 CDAA Cc1nc(CCN[C@H](C)Cn2cncn2)sc1C 65421002 RVQAZHAZPAQURY-SECBINFHSA-N 265.386 1.572 0 50 CDAA COc1ccc(F)c(-c2nccc(N3CC[C@H](O)C3)n2)c1 65380750 NQIKPUKPUHRYAP-JTQLQIEISA-N 289.310 1.862 0 50 CDAA Cc1cc(C)nc(CNc2cc(CCN)nc(C)n2)n1 67821341 RFCUSMOFIKQZHU-UHFFFAOYSA-N 272.356 1.305 0 50 CDAA O=c1ccc(-c2nc(Cc3ccccc3)n[nH]2)c[nH]1 67820682 SXRLMWATJGYVBP-UHFFFAOYSA-N 252.277 1.751 0 50 CDAA C[C@H](Oc1ccccc1F)c1ccnc2nc(N)nn12 1401850 HPWRHVHKMDGSHR-QMMMGPOBSA-N 273.271 1.986 0 50 CDAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1nnc(C)o1 229556917 RNZMYDCLKLYZIU-LEWSCRJBSA-N 292.383 1.914 0 50 CDAA CN(CC(F)(F)F)C(=O)[C@H]1CC12CCNCC2 70253666 AMQGTBVXEXJLJQ-MRVPVSSYSA-N 250.264 1.397 0 50 CDAA CCn1cc(N(CC(=O)N(C)C)CC(C)C)cn1 328600117 VSDFMMBODWOJKG-UHFFFAOYSA-N 252.362 1.454 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)CCc1ccccn1 328627559 MWQNRWSFFAKSSV-CQSZACIVSA-N 298.390 1.932 0 50 CDAA CNc1nc(CN2CC[C@@]3(C2)CN(C)C(=O)O3)cs1 72166861 IRWAKUMQBJIDJD-LBPRGKRZSA-N 282.369 1.211 0 50 CDAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1(O)CCSCC1 122812162 BBDWAKXDLSYEKN-QWHCGFSZSA-N 293.388 1.019 0 50 CDAA O=C(c1cnn(-c2cccnc2)c1)N1CCOCC12CC2 328724862 YUXKJPNXNSTJGG-UHFFFAOYSA-N 284.319 1.272 0 50 CDAA Cc1cccc(N2CCC3(CCCN3CC(=O)O)CC2)n1 72423070 SJNRTMHRBJBTCY-UHFFFAOYSA-N 289.379 1.909 0 50 CDAA CC(C)c1ncc(C(=O)NCC2(CO)CCOCC2)s1 151711577 XNYHNHNKKNPONX-UHFFFAOYSA-N 298.408 1.785 0 50 CDAA C[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@@H](C)N1 154123263 UNJDCYFWAJLGHH-TXEJJXNPSA-N 285.351 1.090 0 50 CDAA Cc1ccc(-c2ccnc(N[C@H]3CCNC3=O)n2)c(C)n1 71767606 RXDCMOJORHYEFA-ZDUSSCGKSA-N 283.335 1.456 0 50 CDAA O=C(NCc1cnc2cnccn12)c1n[nH]c2ccccc12 216314816 AWLCWIRMCHUDDA-UHFFFAOYSA-N 292.302 1.536 0 50 CDAA Cc1ncc(C(=O)N2CCOCC[C@@H]2C)c(C2CC2)n1 369865763 UMBOPIFEGADTSZ-JTQLQIEISA-N 275.352 1.913 0 50 CDAA CCn1ncnc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 281967773 VLZVZZPIHRYURW-KBPBESRZSA-N 290.342 1.745 0 50 CDAA Cc1c(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2C)cnn1C 335883410 FDQSSHKYKVWNAF-CMPLNLGQSA-N 285.413 1.928 0 50 CDAA C[C@@](O)(Cc1ccccc1)C(=O)N1CCn2cncc2C1 336104448 JUOQCMTUYXBFNU-MRXNPFEDSA-N 285.347 1.219 0 50 CDAA CC(C)CONC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 128439216 YDJCKJZRFZTHDY-VXGBXAGGSA-N 272.345 1.163 0 50 CDAA Cc1ccccc1[C@H]1CN(C(=O)C[C@@H](C)CN)CCO1 237515889 PAMUQYUAYSVJRF-IUODEOHRSA-N 276.380 1.880 0 50 CDAA C[C@@H](C1CC1)n1nccc1NC(=O)C1CC(C)(O)C1 448884595 UMGGNXBNOPGFRQ-VOIZVOFFSA-N 263.341 1.954 0 50 CDAA CC[C@@H](N)C(=O)N1CCN(c2ccc(F)cc2OC)CC1 130528400 JBSILVKZRMODQJ-GFCCVEGCSA-N 295.358 1.220 0 50 CDAA O=C(O)C(=O)Cc1cc2c(cc1Br)OCO2 45028123 XDSSJCMGEFGJNN-UHFFFAOYSA-N 287.065 1.374 0 50 CDAA CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H]1CCCC(=O)C1 133972402 BVXOBOZFBWEAKK-WPRPVWTQSA-N 271.313 1.724 0 50 CDAA O=C1[C@H](N2C(=O)[C@H]3CCCN3C2=O)CCN1c1ccccc1 240934443 JCCWJAOHPSGGHL-CHWSQXEVSA-N 299.330 1.219 0 50 CDAA CC1=NNC(=O)[C@@H]1CCNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 524386922 QKISNCFETBRYRR-WUHRBBMRSA-N 277.368 1.441 0 50 CDAA CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1ccc(C(N)=O)cc1 456611427 VXIRRCBSWFFDIO-NOZJJQNGSA-N 276.336 1.329 0 50 CDAA Cc1cc(=O)c(C(=O)NCCC[C@H]2CCOC2)c(C)[nH]1 426497481 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CDAA CC(C)(C)n1nnnc1CN1CCC[C@@H]1c1ncccn1 585116470 XRXYQYVGOGFYJQ-LLVKDONJSA-N 287.371 1.555 0 50 CDAA Cc1cn2ccc(C(=O)NCc3cnn(C)c3C)cc2n1 585131031 JLWCXCUKELUYDL-UHFFFAOYSA-N 283.335 1.615 0 50 CDAA CN1CCC(C)(CNCc2cc3c(cn2)OCCO3)CC1 585118268 IOWFEFCQQQZBEW-UHFFFAOYSA-N 291.395 1.674 0 50 CDAA C[C@@H](CC(=O)NC1=NCC(=O)N1C)Cc1cccc(F)c1 585127943 NORCPEAMKDVQCT-SNVBAGLBSA-N 291.326 1.339 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CC[C@H](n2ccnn2)C1 585127001 NCUDOCIPTZGZOD-FQUUOJAGSA-N 274.368 1.878 0 50 CDAA O=C(c1ccnc(-c2ncc[nH]2)c1)N1CCc2n[nH]cc2C1 644877496 JHGPTVMKJMEDTE-UHFFFAOYSA-N 294.318 1.393 0 50 CDAA CO[C@]1(C)CCCN(C(=O)c2cc3ncccn3n2)C1 644965207 VRCRJGKCAMOJQA-CQSZACIVSA-N 274.324 1.370 0 50 CDAA O=C(CNc1cccc(Cl)c1)N1CCCCN1 653171853 LYTZKCOAIIJTBP-UHFFFAOYSA-N 253.733 1.879 0 50 CDAA CC(C)S(=O)(=O)CC(=O)Nc1cc(C(=O)O)cs1 570026422 BCGMPUIQZVLJGL-UHFFFAOYSA-N 291.350 1.208 0 50 CDAA O=C(O)[C@H]1COCCN1C(=O)[C@@H]1CCC=CCCC1 718985328 WJMHMVIYNZCZOJ-VXGBXAGGSA-N 267.325 1.435 0 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1.227 0 50 CDAA CC(C)CNC(=O)c1cccc(NC(=O)/C=C/C(=O)O)c1 449590 IRDIPJVRSWXFQQ-VOTSOKGWSA-N 290.319 1.652 0 50 CDAA CC(=O)c1c(C)nn(C(=O)N2CCOCC2)c1C 4112057 VOFZKKYKBUGEQV-UHFFFAOYSA-N 251.286 1.003 0 50 CDAA C[C@H](c1nnc2n1-c1ccccc1OC2)n1ccnc1 1775980548 CQOUQRZKAZUYJH-SNVBAGLBSA-N 267.292 1.966 0 50 CDAA Cn1c(S[C@H]2COC(=O)C2)nnc1-c1ccoc1 15109847 RFADSEGICRRZET-MRVPVSSYSA-N 265.294 1.483 0 50 CDAA O=C(CN1CCCC1=O)NCc1ccc(F)cc1Cl 169751254 QUGABYXLJKKWIR-UHFFFAOYSA-N 284.718 1.718 0 50 CDAA COC(=O)C(=Cc1ccc(OC)cc1)C(=O)OC 1568271 JMFYZMAVUHNCPW-UHFFFAOYSA-N 250.250 1.425 0 50 CDAA CC(C)NC[C@H](O)COc1cccc2c1CCCC2=O 96027980 BWBDSUYCEFZILK-LBPRGKRZSA-N 277.364 1.943 0 50 CDAA CC(C)n1cc(C(=O)N2CC[C@]3(C(=O)O)CCC[C@@H]23)nn1 1857529486 QVGOTTWMTRDBEL-BXUZGUMPSA-N 292.339 1.328 0 50 CDAA Cc1cc(CC(=O)N[C@@H]2CCCc3c2c(C)nn3C)on1 1857670875 HJEYSDIADPXAPJ-GFCCVEGCSA-N 288.351 1.761 0 50 CDAA C[C@@H]1CN(Cc2ncc[nH]2)CCN1c1ccc(F)cn1 1857670934 IENDESCHKDSUET-LLVKDONJSA-N 275.331 1.655 0 50 CDAA O=C(Cn1cccn1)N1CC[C@H]1c1ccc(F)cc1 618050434 YOPWRBDKOSYVJU-ZDUSSCGKSA-N 259.284 1.996 0 50 CDAA Cc1ccc2c(c1)[C@H](NC(=O)N1CCn3cnnc3C1)CO2 121030956 BGRBKQSHWPGTSV-GFCCVEGCSA-N 299.334 1.245 0 50 CDAA CC(C)COC[C@@H](O)CN(C)C[C@@H]1CCc2nccn2C1 328655205 YDJVYSJLBVMECK-GJZGRUSLSA-N 295.427 1.411 0 50 CDAA Cc1noc(C)c1C[C@@H](C)C(=O)N[C@](C)(C(=O)O)C1CC1 237472496 HOYHXGXKRGNHFP-GLEZIHRCSA-N 294.351 1.840 0 50 CDAA CCOc1ccccc1N1CCN([C@@H](C)C(=O)O)CC1 236951186 BJAXTKXRNFVEOU-LBPRGKRZSA-N 278.352 1.680 0 50 CDAA N=C(O)C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]2CCO)C1 334081064 YSUZDBBOXVMKSD-XQQFMLRXSA-N 297.399 1.884 0 50 CDAA CN(C)c1ncccc1O[C@@H]1CCN(c2ncccn2)C1 252510372 ZIUNCCKHLAQPRX-GFCCVEGCSA-N 285.351 1.595 0 50 CDAA CC(C)CN1CC(=O)N(c2ncnn2C(C)C)C1=O 900234917 LAGFNSLNXJUGKN-UHFFFAOYSA-N 265.317 1.284 0 50 CDAA C=CC(=O)N(C)C[C@H]1CN(CC)c2ccccc2O1 1120460637 UBLAJBCKYVSEEQ-LBPRGKRZSA-N 260.337 1.918 0 50 CDAA CC(C)(C)OC(=O)N1CC(CC(=O)O)(c2ccon2)C1 1857783918 OAEDUVCPRAZPAM-UHFFFAOYSA-N 282.296 1.638 0 50 CDAA CCc1c(C)[nH][nH]c1=NCc1cn(-c2ccccc2)nn1 1875284002 IRFBEFDKBDEKSD-UHFFFAOYSA-N 282.351 1.895 0 50 CDAA Cc1nc(CN2CCN(C(=O)C3=CC(C)(C)C3)CC2)n[nH]1 1875275537 MBIITGXJDCKECK-UHFFFAOYSA-N 289.383 1.114 0 50 CDAA C[C@H](F)CCN1CCc2c(Cc3nn[nH]n3)cccc2C1 1875330417 WYIVJZGZINYBBR-NSHDSACASA-N 289.358 1.897 0 50 CDAA CN(C)C/C=C/C(=O)NCCn1cncc1-c1ccccc1 1875376784 IIKPIUJBGXTLBP-RMKNXTFCSA-N 298.390 1.784 0 50 CDAA C=CC(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 1875374853 HJNNCPPQVKUTNB-UHFFFAOYSA-N 258.281 1.927 0 50 CDAA Cc1ncsc1CC(=O)N=c1cc([C@@H]2C[C@H]2C)[nH][nH]1 1875322962 PUJGMEDVHXBMLR-VXNVDRBHSA-N 276.365 1.901 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCc1nc(C(C)(C)C)no1 1875370109 BTTMSEGGQLIBMP-UHFFFAOYSA-N 294.355 1.018 0 50 CDAA Cc1cnn(C[C@H](C)NCc2cc3n(n2)CCCC3)c1 888094326 IBFILJRNCLKOQI-ZDUSSCGKSA-N 273.384 1.903 0 50 CDAA Cc1nc(O)cc(N2CCN(C3CCC3)C[C@H](C)C2)n1 893960512 VPLXETRXPYEZSI-NSHDSACASA-N 276.384 1.801 0 50 CDAA CCOc1cc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)[nH]n1 1775988148 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CCOc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 7918398 SKXPWYJLIIMNFQ-NSHDSACASA-N 297.376 1.849 0 50 CDAA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(C)C 100715445 CMUCPTWZQPTCRJ-UHFFFAOYSA-N 267.325 1.756 0 50 CDAA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1 100003099 LJXTYJXBORAIHX-UHFFFAOYSA-N 253.298 1.654 0 50 CDAA in-vitro COC(=O)C1(O)CN(C(c2ccccc2)c2ccccc2)C1 116636858 YJUZLNDEYLMQPZ-UHFFFAOYSA-N 297.354 1.996 0 50 CDAA COC(=O)[C@@H]1CCCN1CC(=O)N1[C@H](C)CCC[C@H]1C 247854581 SXJDEXZUACSGKY-UPJWGTAASA-N 282.384 1.413 0 50 CDAA C[C@@H](C(=O)N(C)C)N(C)Cc1ccc(Cl)nc1 67458171 QJQOCFAOTFMCBC-VIFPVBQESA-N 255.749 1.644 0 50 CDAA N[C@@H]1CC[C@@H](NC(=O)c2nc[nH]c2-c2ccccc2)C1 67934451 JPTDMYNGQPRFRE-VXGBXAGGSA-N 270.336 1.686 0 50 CDAA COc1ccc2c(c1)[C@H](NC[C@@H](CO)[C@H]1CCOC1)CC2 280798629 IFFYMOMUEBBSMJ-GRDNDAEWSA-N 291.391 1.917 0 50 CDAA CCn1nccc1CCN1CC(=O)N[C@@H]2CCCC[C@H]21 252515618 MFMCFZYAMZAUFB-ZIAGYGMSSA-N 276.384 1.189 0 50 CDAA C[C@@]1(O)CCN(c2cc(N)ncn2)C[C@@H]1Cc1ccccc1 72156342 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FTXJXOZBGXWUOW-UHFFFAOYSA-N 258.394 1.180 0 50 CDAA Cc1cc(C(=O)N[C@H](c2nccn2C)C(C)C)nn1C 534631691 FXHSZNICNGBBBU-LBPRGKRZSA-N 275.356 1.589 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)CCc1cnn(C)c1 534634229 KSWFDIGCFCTTQD-NSHDSACASA-N 290.371 1.232 0 50 CDAA CC1(C(=O)NCC2(CN3CCCC3)CC2)COC1 534584146 QBYHMSIVVZMVIM-UHFFFAOYSA-N 252.358 1.015 0 50 CDAA C[C@@]1(C(=O)O)CCCN(Cc2cnn3cccnc23)C1 534671579 GZSWUNGUFYCIOM-CQSZACIVSA-N 274.324 1.416 0 50 CDAA Cc1ccc([C@H](CNC(=O)c2cncnc2)N(C)C)cc1 273882001 XPQQYZZKDIMBKA-HNNXBMFYSA-N 284.363 1.818 0 50 CDAA COC[C@@H](C)NC(=O)c1cccc(-c2ncccn2)c1 299780168 BRNHZGWIPWPIQS-LLVKDONJSA-N 271.320 1.908 0 50 CDAA Cc1ncn(C)c1C(=O)NCc1cccc(CN(C)C)c1 299796344 QUTHELPZINGFPA-UHFFFAOYSA-N 286.379 1.720 0 50 CDAA O=C(c1cccc(-c2cncnc2)c1)N1CCC[C@@H](O)C1 299775672 GWHCKOQGZONASH-OAHLLOKOSA-N 283.331 1.741 0 50 CDAA Cc1ccnc([C@H](NC(=O)Nc2cn(C)nn2)C2CC2)c1 299763805 DIILJCSPEWFRKR-CYBMUJFWSA-N 286.339 1.791 0 50 CDAA N[C@@]1(CNC(=O)NC2CCCC2)C[C@H]2CC[C@H]1C2 725254896 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CDAA COC(=O)c1nc2nc(C)cc(C(F)(F)F)n2n1 255444 PRFBYKZPZLEBIA-UHFFFAOYSA-N 260.175 1.238 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccon1 273456003 ZYOCUCGUUGLSHO-MWLCHTKSSA-N 253.302 1.857 0 50 CDAA C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCNC1=O 630030712 SQZPEXCIBGQCBX-KCPJHIHWSA-N 286.375 1.952 0 50 CDAA c1cc(CNC[C@@H]2CCc3nccn3C2)n2ccnc2c1 275718950 YVXOGQICAZGVQF-ZDUSSCGKSA-N 281.363 1.883 0 50 CDAA C[C@@H](CN(C(=O)c1n[nH]c2ccccc12)C1CC1)C(=O)O 170067838 CYWRVYVTFAFKPW-VIFPVBQESA-N 287.319 1.888 0 50 CDAA CNC(=O)[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1 170604380 PGGQKQHWQXKNTH-IHRRRGAJSA-N 266.385 1.426 0 50 CDAA O=C(c1c[nH]nn1)N1CCC[C@@H](Oc2ncccc2F)C1 279346477 SRQKELNECLAXOB-SECBINFHSA-N 291.286 1.022 0 50 CDAA CCN(C(=O)c1cnn(CC)c1C)c1cnn(C)c1 633592904 WROCEUWQNWNZMI-UHFFFAOYSA-N 261.329 1.612 0 50 CDAA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H]2CNCCO2)C1 187819050 OBMWJTAAOCXTGY-BYCMXARLSA-N 292.354 1.724 0 50 CDAA FC(F)[C@H]1C[C@@H]1N=c1[nH]nc(-c2ccon2)s1 557752911 MUYOGVBJPRDWGS-NJGYIYPDSA-N 258.253 1.681 0 50 CDAA CN(C)c1ccc([C@@H]2CCCN2Cc2cnnn2C)nn1 643707142 PAGAHIYAPQOLBL-ZDUSSCGKSA-N 287.371 1.008 0 50 CDAA O=C(CC1=CCCCC1)N1CC[C@](O)(Cn2ccnn2)C1 671501860 UWQOATBCJFWFQJ-OAHLLOKOSA-N 290.367 1.132 0 50 CDAA COc1ccc(S(=O)(=O)N2CCc3ccccc32)cn1 192871132 WIYMTXGGPYGSHO-UHFFFAOYSA-N 290.344 1.842 0 50 CDAA CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCn2ccnc2C1 583623966 NVXCQLCRRWWXAZ-KGLIPLIRSA-N 290.411 1.436 0 50 CDAA CSC[C@H](C)C(=O)N[C@@H]1C[C@@H](N(C)C)C12CCC2 585130856 DPPKEWIMOJCZRC-QJPTWQEYSA-N 270.442 1.975 0 50 CDAA C[C@@H](CCNCc1cccc2c1OCO2)N(C)C 585117161 SNRSXRITNHKIGZ-NSHDSACASA-N 250.342 1.845 0 50 CDAA Cc1cccc(C)c1NC(=O)N[C@@H]1C(=O)NCC1(C)C 585120057 LXUKBZGSRFRIKR-GFCCVEGCSA-N 275.352 1.950 0 50 CDAA O=C(O)[C@H]1C[C@H](NC(=O)C2(C(=O)O)CC2)c2ccccc21 653328919 OVODKEQSLYKHKU-QWRGUYRKSA-N 289.287 1.281 0 50 CDAA C[C@H]1CC[C@H](C(N)=O)CN1c1nnc(C2CC2)s1 195575014 ZOXXWPSTQCUYNM-CBAPKCEASA-N 266.370 1.506 0 50 CDAA 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Cc1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1 309311891 HNLZBJUMEALPAO-UHFFFAOYSA-N 255.217 1.541 0 50 CDAA Cc1cc(C(=O)N2CCN[C@H](C)C2)c(F)cc1F 135231248 YHDSZMWZPGYLIO-SECBINFHSA-N 254.280 1.707 0 50 CDAA CCOc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2CO)cc1 347398878 OTPMFEUQNXIODM-STQMWFEESA-N 281.327 1.559 0 50 CDAA CC[C@@H](C(=O)NC)N(c1cc(C)ccc1C)S(C)(=O)=O 65361886 ZFPWOPRUBZHRNB-LBPRGKRZSA-N 298.408 1.594 0 50 CDAA Cc1cnc(NCCCN2CCCC2)nc1N(C)C 65385589 FXMPACXEKKNKAM-UHFFFAOYSA-N 263.389 1.749 0 50 CDAA COc1cc(NCc2n[nH]c(-c3ccccc3)n2)ncn1 65420173 BCGOWGRCQVFRBX-UHFFFAOYSA-N 282.307 1.882 0 50 CDAA OCc1ccc(CN2CCCC[C@H]2CN2CCOCC2)o1 65435986 MONIRQAYSWKTSK-AWEZNQCLSA-N 294.395 1.459 0 50 CDAA COC[C@@H](C)NCC(=O)Nc1ccc(F)cc1C 65506313 OZEDYTYPFFTZHR-SNVBAGLBSA-N 254.305 1.697 0 50 CDAA O=C(N[C@@H](c1ncccn1)C1CC1)c1ccc(O)cn1 1363612929 HRYLEOHKHTXOSZ-GFCCVEGCSA-N 270.292 1.458 0 50 CDAA COC(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 66324307 XXMXNXMTLDREDB-UHFFFAOYSA-N 286.372 1.491 0 50 CDAA CCc1ncc2c(n1)CN(c1cc(NC3CC3)nc(N)n1)C2 67756583 LDUYZFMIQTUXSO-UHFFFAOYSA-N 297.366 1.506 0 50 CDAA Nc1nonc1C(=O)OCC(=O)c1ccc(Cl)cc1 135317 RQMWSOMGJMANCQ-UHFFFAOYSA-N 281.655 1.345 0 50 CDAA CN(C)c1ccccc1CN[C@@H](CS(C)(=O)=O)C1CC1 252503501 VEAKITGJBUVXOE-AWEZNQCLSA-N 296.436 1.665 0 50 CDAA CCc1noc(C)c1CNC(=O)[C@@H]1CCc2nncn2C1 354879841 RPUQBZXEBRDSFY-SNVBAGLBSA-N 289.339 1.016 0 50 CDAA COC(=O)/C=C/c1ccc(OC)c(OC)c1OC 34615238 BDPRQDJNPJRLOB-SOFGYWHQSA-N 252.266 1.899 0 50 CDAA biogenic,in-vitro O=C(NCCc1ncc[nH]1)[C@@H]1CCCN1Cc1ccccc1 171755271 GXIVYIPCSQSSRI-HNNXBMFYSA-N 298.390 1.733 0 50 CDAA COc1ccc2c(c1)N(CC(=O)N(C)C)[C@@H](C)C(O)=N2 328595781 FAKYWHJLCUAUJM-VIFPVBQESA-N 277.324 1.580 0 50 CDAA CCn1nccc1[C@@H]1OCC[C@H]1CN[C@@H]1CCOC1 328625433 DDNJBYHVHWYASA-OUCADQQQSA-N 265.357 1.359 0 50 CDAA CC(C)c1cccc(S(=O)(=O)N(C)Cc2nnc[nH]2)c1 253416212 APNLZCISLQUMRT-UHFFFAOYSA-N 294.380 1.749 0 50 CDAA CCCCN(C)C[C@H](C)NC(=O)COCc1nc(C)no1 253418930 FSYQQDJOJWLSKX-NSHDSACASA-N 298.387 1.131 0 50 CDAA Cn1cc(CN2CCN=C(O)C[C@H]2c2ccccc2)nn1 328604306 IMCMHCMHGVWUGV-AWEZNQCLSA-N 285.351 1.719 0 50 CDAA CCc1nsc(N2CCO[C@@H](c3nncn3CC)C2)n1 328634550 UDTUATDTYCSJBN-SECBINFHSA-N 294.384 1.290 0 50 CDAA CCOC(=O)C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC 213010536 UCQCSFFJFJBLQE-GXSJLCMTSA-N 270.329 1.436 0 50 CDAA N=C(O)[C@H](c1ccccc1)N1CCC(S(N)(=O)=O)CC1 330536521 VVYJUAKEUZYINX-LBPRGKRZSA-N 297.380 1.016 0 50 CDAA Cc1ccc(CC(=O)N(C)CC2(O)CCCC2)cn1 153763463 PFOMHBVFMQFXOG-UHFFFAOYSA-N 262.353 1.696 0 50 CDAA O=C1NCCCC[C@H]1N1CCC[C@@H](OCC2CC2)C1 375321349 VCQHIASGRBGOKQ-ZIAGYGMSSA-N 266.385 1.546 0 50 CDAA Cn1nccc1[C@@H]1CCCCN1CCCC(=O)O 261688171 CDSUTKNNHICQSU-LBPRGKRZSA-N 251.330 1.812 0 50 CDAA CN1C[C@@]2(CCCN(Cc3nccn3C)CC2)OC1=O 72128894 NRFMUDHZCHMKCE-AWEZNQCLSA-N 278.356 1.227 0 50 CDAA O=S(=O)(CCC1CC1)N1CCC[C@@H](n2ccnn2)C1 333385963 CELWATJJCNOMGO-GFCCVEGCSA-N 284.385 1.045 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)c(C)n1 262328897 SAEBKKQNQHEYAH-KGLIPLIRSA-N 299.378 1.374 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccc[nH]2)c1 282486142 MFNYOOKSHYNUMT-SWLSCSKDSA-N 286.331 1.971 0 50 CDAA O=C(c1ccnc(Cl)c1)N1CC(CN2CCOCC2)C1 521394314 OGBZUQNRAJDEIK-UHFFFAOYSA-N 295.770 1.139 0 50 CDAA Cc1nc([C@@H]2COCCN2Cc2ccc3c[nH]nc3c2)no1 378542072 TVJGOEMLVMLYNO-AWEZNQCLSA-N 299.334 1.828 0 50 CDAA Nc1nc(NCCc2nccs2)cc(C2CC(N)C2)n1 223897364 CCXIWOHUEPAEBE-UHFFFAOYSA-N 290.396 1.375 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1ccc(OC)o1 220302066 LBHPUZJTMRRYMQ-SNVBAGLBSA-N 263.297 1.693 0 50 CDAA CCC[C@]1(C)C(=O)NCCN1Cc1ccc(C(=O)O)cc1 263579012 UCODRPBEEWIGPE-MRXNPFEDSA-N 290.363 1.875 0 50 CDAA Cc1nc(CNC(=O)CN2CCCN(C)CC2)sc1C 221261126 WUCXEPKLMRMKBN-UHFFFAOYSA-N 296.440 1.014 0 50 CDAA Cc1ncsc1CCN(C)C(=O)NCc1nccn1C 426433683 QQCYMELYDMNJTP-UHFFFAOYSA-N 293.396 1.569 0 50 CDAA c1cnc(N2CCC(NCCc3cccnc3)CC2)nc1 95522894 YXCKPFOXWSLZAG-UHFFFAOYSA-N 283.379 1.673 0 50 CDAA COC(=O)C(C(=O)OC)c1ccc(C(F)(F)F)cc1N 95494820 BNXLTYKCKCWINU-UHFFFAOYSA-N 291.225 1.717 0 50 CDAA O=C(N1CCOc2cccc(F)c2C1)C1(O)CCC1 334343123 QRMBXPGQHIVLDJ-UHFFFAOYSA-N 265.284 1.462 0 50 CDAA Cc1cc(C)c(OCC(=O)N(C)[C@@H]2CCNC2)c(C)c1 179097081 VMFAQLWIKIPDKK-CQSZACIVSA-N 276.380 1.811 0 50 CDAA C[C@H](C(=O)Nc1nccs1)N1CCC(CCO)CC1 532958770 QKBOJAWDFYZHNU-SNVBAGLBSA-N 283.397 1.565 0 50 CDAA O=C(CCn1cc([C@H]2CCOC2)nn1)Nc1nccs1 91364796 IOURLSBGKUJBRL-VIFPVBQESA-N 293.352 1.267 0 50 CDAA Cc1cnc(N)nc1NCc1cc(C(C)(C)C)[nH]n1 91468456 CRLXINAIJVFXTH-UHFFFAOYSA-N 260.345 2.000 0 50 CDAA COc1nc(N2CC(C)(C)[C@@](C)(O)C2)ncc1F 91858384 DRRZSVWWYHOAPM-LBPRGKRZSA-N 255.293 1.222 0 50 CDAA Cc1cc(CNC(=O)C2CCN(C(C)C)CC2)n(C)n1 95359135 MCURBFFPWPQKIX-UHFFFAOYSA-N 278.400 1.465 0 50 CDAA COC[C@]1(O)CCN(C(=O)CC2CCC2)CC1(C)C 92061937 DHUHCIZOLVIGLM-OAHLLOKOSA-N 269.385 1.813 0 50 CDAA CCc1cc(N[C@@H](c2ncnn2C)C2CC2)ncn1 95352732 ZWIXIBNHMBPRMW-GFCCVEGCSA-N 258.329 1.731 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 299738834 HBKFEHZCYSWXLP-BFHYXJOUSA-N 291.399 1.034 0 50 CDAA CCc1nccn1CCN1CCC[C@H](NC(C)=O)C1 244695652 JPVMULNGNBTVJK-ZDUSSCGKSA-N 264.373 1.046 0 50 CDAA O[C@]12CCNC[C@H]1CN(Cc1cc(C3CC3)on1)CC2 244673980 HZFQYHKHYLKLFT-WFASDCNBSA-N 277.368 1.098 0 50 CDAA NC(=O)c1nccnc1C(=O)N[C@H]1CC12CCCCC2 181298096 ZJTNTKPBPJAWFI-VIFPVBQESA-N 274.324 1.028 0 50 CDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1C=CCN1 534662704 DQHAHERATSWMHN-ZDUSSCGKSA-N 274.368 1.165 0 50 CDAA CO[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 628989260 NCXBZRWRNUZFGB-NQBHXWOUSA-N 291.351 1.661 0 50 CDAA Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H]1COC2(CCCCC2)C1 299782770 NHMIZRZGRUPLPV-NSHDSACASA-N 293.367 1.162 0 50 CDAA CCS(=O)(=O)NCc1nc(C)cc(C(F)(F)F)n1 823416046 HQJLFMLDHHPNDP-UHFFFAOYSA-N 283.275 1.243 0 50 CDAA COc1ncc(CN2CC(N3CCCC[C@H]3C)C2)cn1 824851791 HJORMADWDUQLEL-GFCCVEGCSA-N 276.384 1.544 0 50 CDAA CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1nc2cc(C)ccc2o1 664269357 PQMXDAWZLSQUBT-ZYHUDNBSSA-N 296.348 1.360 0 50 CDAA O=c1c2cccnc2ncn1Cc1cn2c(n1)SCC2 584900373 ZUZACQJIGKSWDL-UHFFFAOYSA-N 285.332 1.142 0 50 CDAA C[C@@H](C(=O)O)[C@@](O)(Cn1cncn1)c1cc(F)ccc1F 144689742 JPGBTELGZZSFFQ-SDBXPKJASA-N 297.261 1.165 0 50 CDAA in-vitro O=C(O)[C@H]1CN(C(=O)[C@@H]2CCCCO2)c2ccccc21 131981606 HJHIVEKLUFZVMQ-AAEUAGOBSA-N 275.304 1.771 0 50 CDAA CCC[C@]1(CO)CCN(Cc2cncs2)C[C@H]1O 1529174665 WOWHJNLYMFXEAP-CHWSQXEVSA-N 270.398 1.489 0 50 CDAA CN(C)c1ccc(CNCCN2CCCC[C@H]2CO)cn1 952990741 SVULJBRTAAHXJN-HNNXBMFYSA-N 292.427 1.084 0 50 CDAA CCCc1nc(NCCN2CCCC[C@H]2CO)no1 952871786 BELCGMKBHQEKFA-NSHDSACASA-N 268.361 1.281 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)Cn1nc(C)cc1N)C2 1857714344 ZNIONVOEGRLNFU-UHFFFAOYSA-N 271.324 1.020 0 50 CDAA CN(C)CCCOc1ccc(CN2C[C@@H](O)[C@H](F)C2)cc1 952976601 LGIHPKVUSWGJLI-HZPDHXFCSA-N 296.386 1.532 0 50 CDAA CCn1ncc(CN2CCNC(=O)c3ccccc32)n1 1459832279 GAFRERRAGHYFIH-UHFFFAOYSA-N 271.324 1.048 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)CO1 408412084 NHIUWMUJDGDYAM-NTZNESFSSA-N 288.347 1.417 0 50 CDAA CN(C[C@]12CCC[C@H]1OCC2)C(=O)NC[C@@H]1COCCO1 1468142400 YBXKJKOGLDZFQA-UMVBOHGHSA-N 298.383 1.002 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1ccccc1Cn1cccn1 268876539 BOICOCXDTZKXIN-KGLIPLIRSA-N 299.330 1.268 0 50 CDAA Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@H](C)N)C1 168588121 NLRBWNZCDCQEIT-WCQYABFASA-N 279.359 1.566 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)Nc2c(F)cccc21 276914737 QXFJQSSDDUPHIQ-ZJUUUORDSA-N 292.310 1.926 0 50 CDAA CCCc1noc([C@@H](C)OC(=O)c2cc[n+]([O-])cc2)n1 170593774 HJRJZBFHCDJPSO-SECBINFHSA-N 277.280 1.574 0 50 CDAA CCS(=O)(=O)NCCN1CC[C@@H](C)c2cccc(O)c21 170598186 DAXAYSZVTBIQSQ-LLVKDONJSA-N 298.408 1.645 0 50 CDAA COc1cccc(NC(=O)NCc2ccc(N)nc2)c1 170613525 NYZSOSATPUOQOG-UHFFFAOYSA-N 272.308 1.994 0 50 CDAA O=C(C[C@H](n1cccn1)C(F)(F)F)N=c1cc[nH]cc1 665532438 JSNQPPZPCURBMV-JTQLQIEISA-N 284.241 1.832 0 50 CDAA O=C(NCCN1CCCOCC1)c1nccc2ccccc12 189375488 NZSNNVLVJLGRJM-UHFFFAOYSA-N 299.374 1.687 0 50 CDAA C[C@H]1COCCN1CCNc1ncc(Cl)cn1 673933582 ZIEWOXXKHJIYIJ-VIFPVBQESA-N 256.737 1.263 0 50 CDAA COC(=O)c1cc(S(=O)(=O)N2CCCC2(C)C)on1 583652051 XPDWQYAQFRUVIJ-UHFFFAOYSA-N 288.325 1.024 0 50 CDAA Cc1nc(Cl)cc(N2CCC(N3CCOCC3)CC2)n1 583650877 JAAQUASXTYBSSV-UHFFFAOYSA-N 296.802 1.739 0 50 CDAA C[C@@H](c1cccnc1)N(C)C(=O)c1ccc2c(c1)B(O)OC2 584940631 WAUZINGMCOFUDB-NSHDSACASA-N 296.135 1.133 0 50 CDAA COc1ccccc1C(=O)N1CCNC[C@H]1c1ccncc1 564831285 XFGGNZIBJZSHEK-HNNXBMFYSA-N 297.358 1.877 0 50 CDAA CCc1csc(CC(=O)N2CCC[C@H](CN)C2)n1 567884378 WCENOXUDAZCCTQ-SNVBAGLBSA-N 267.398 1.445 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)Nc1nncn1C1CC1 568102412 RJEWMTDIPCUPLA-GHMZBOCLSA-N 264.329 1.757 0 50 CDAA C[C@@H](C(=O)Nc1ccn(C(C)(C)C(=O)O)n1)n1cccn1 659200178 JNLAKWOECXVYNO-VIFPVBQESA-N 291.311 1.099 0 50 CDAA O=C(NCc1ccccc1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 660204595 MMFBVMWNYUODTG-KKUMJFAQSA-N 274.364 1.989 0 50 CDAA CC1(F)CCN(C(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)CC1 1615546520 LQZZAZJWXSIRLT-KKOKHZNYSA-N 254.349 1.710 0 50 CDAA C[C@@H]1[C@](F)(Cl)[C@]1(C)CN[C@@H]1CCc2ncnn2C1 1616037676 DOTQBPGMCUYBPF-LUTQBAROSA-N 272.755 1.743 0 50 CDAA Cc1conc1C(=O)N1CCCC[C@@]12CCOC2 1337818241 BHHJTIATSOXMMU-ZDUSSCGKSA-N 250.298 1.768 0 50 CDAA C1CN(CC[C@H]2COCCO2)CC2(C1)CCOCC2 1775981568 MDVIEMSTWHGUQK-AWEZNQCLSA-N 269.385 1.685 0 50 CDAA c1cncc([C@@H](CNc2cnccn2)N2CCOCC2)c1 1506396834 OFTHTKAWELRSCB-CQSZACIVSA-N 285.351 1.357 0 50 CDAA Cc1nc(O)cc(CN[C@H]2CCN(c3ccccc3)C2)n1 1506399677 PQSYVROOIMHFHK-ZDUSSCGKSA-N 284.363 1.859 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1/C=C/c1ccccc1 306079 BUBDVBJYVPMWEM-IDVQTMNDSA-N 272.304 1.828 0 50 CDAA biogenic O=C(Cc1cccc(O)c1)N1CCC[C@H]2CNC[C@H]21 221471447 KOFPEDVLGBMJJV-GXTWGEPZSA-N 260.337 1.145 0 50 CDAA C=Cc1ccc(NCCN2CCCC[C@@H]2CO)nc1 1529168204 ZENZAAAJKMYZOY-CQSZACIVSA-N 261.369 1.983 0 50 CDAA Cc1cnc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)[nH]1 1800411461 KDSDOOFHBYLWSX-NSHDSACASA-N 279.340 1.031 0 50 CDAA Cn1c(SCC(N)=O)nnc1C1CCCCC1 422337 JKPNDTOLWPCNDW-UHFFFAOYSA-N 254.359 1.440 0 50 CDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccsc1 532003052 CFNVXXDPVGQINQ-LLVKDONJSA-N 283.349 1.844 0 50 CDAA Cn1cncc1C(=O)N1CCC[C@H](CCC(=O)O)C1 236069510 GOMVGDKUEHKSSZ-SNVBAGLBSA-N 265.313 1.137 0 50 CDAA CCCc1ncc(C(=O)N2CCC[C@@H]2C(=O)O)s1 236939914 FABSAFGDJINCDA-MRVPVSSYSA-N 268.338 1.785 0 50 CDAA O[C@H](COc1ccc(F)cc1)CN1CCC[C@@H](O)C1 229106702 YKGRJGIGTUGOLA-OLZOCXBDSA-N 269.316 1.022 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cn2)C1 122295986 IROPJMUIMOHINO-SSDOTTSWSA-N 288.225 1.647 0 50 CDAA Cc1cccc(OC2CN(c3nnc(CN(C)C)o3)C2)c1 1772706010 FYPMAXHZUQHFSA-UHFFFAOYSA-N 288.351 1.707 0 50 CDAA Cc1[nH]nc(CN2CCC[C@@H]2C2(O)CC2)c1Cl 1775979437 VGXSSIMAGSBIPG-SNVBAGLBSA-N 255.749 1.861 0 50 CDAA CCc1c(C)nn(CC(=O)N2CCC[C@@H]2C2(O)CC2)c1C 1772815207 ZMCZZAQYLGPAQS-CQSZACIVSA-N 291.395 1.578 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1ccc2nc[nH]c2c1 1772808593 VGYVRYLFWZMZEU-UHFFFAOYSA-N 292.302 1.764 0 50 CDAA C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NNC(N)=S 5721883 VLAWOGAPRNWEDO-FOGDFJRCSA-N 283.441 1.910 0 50 CDAA c1cnc(N2CCOCC2)c(CNc2cnccn2)c1 12297674 QEEGMOWONPGTHI-UHFFFAOYSA-N 271.324 1.320 0 50 CDAA CCOC(=O)C1=CNC(=O)N[C@H]1c1ccccc1F 6843502 BAJCSOIAZTVEKT-NSHDSACASA-N 264.256 1.627 0 50 CDAA COC(=O)[C@@H]1[C@H]2CN(c3ncnc4ccc(C)nc34)C[C@H]21 1857675531 CEYXAQNHFVHMPH-IAZYJMLFSA-N 284.319 1.188 0 50 CDAA OCCN=c1cc(-c2cnc3cccc(F)c3c2)nc[nH]1 1875248213 DHRDTUKYBWGZDJ-UHFFFAOYSA-N 284.294 1.657 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCc1ccncc1 101445014 XKEZKORDMGWVRH-FQUUOJAGSA-N 286.331 1.611 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)N=c1cc(C)nc(O)[nH]1 408474621 HLFMAVDBIDWUEG-UWVGGRQHSA-N 265.313 1.056 0 50 CDAA COCC(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 352583162 NNGNTOFDJIDRFB-UHFFFAOYSA-N 294.742 1.430 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1cccn1 252339133 QYGVLGOHNSCOKR-UPJWGTAASA-N 291.351 1.518 0 50 CDAA Cc1n[nH]cc1C(=O)N1CCC[C@@]1(CO)Cc1ccccc1 365166301 YALDUTLMICYALI-KRWDZBQOSA-N 299.374 1.928 0 50 CDAA C[C@@]1(C(=O)N[C@H]2CCCNC2)CC(c2ccccc2)=NO1 911673063 JOISKODXGWRTGT-BBRMVZONSA-N 287.363 1.438 0 50 CDAA CCn1cc(C(=O)NC[C@@H]2CCCN(CC(C)C)C2)nn1 935003243 NSKWXSBZFXFPSA-ZDUSSCGKSA-N 293.415 1.396 0 50 CDAA CC1(c2ccccc2C(=O)Nc2nnc3nc[nH]n23)CC1 936031676 OKBAINCLHDDGQE-UHFFFAOYSA-N 282.307 1.756 0 50 CDAA CCOCCCNC(=N)NC[C@H](O)Cc1cccc(F)c1 849031730 AWQVQPZNXUCXGG-CQSZACIVSA-N 297.374 1.270 0 50 CDAA Cc1conc1Cn1cnc2c(N(C)C)ncnc21 871651939 ULHNLCCXQHNVIX-UHFFFAOYSA-N 258.285 1.237 0 50 CDAA CCCn1ccc(CNc2cc(CC)nc3ncnn23)n1 1875288035 LLCWALUDXXPPJA-UHFFFAOYSA-N 285.355 1.905 0 50 CDAA OC[C@H]1CCC2(CCOCC2)CN1c1ncncc1Cl 1875287872 DQDWHLISKGLITP-LLVKDONJSA-N 297.786 1.888 0 50 CDAA CCC[C@@H]1C[C@H](C(=O)O[C@H]2CCN(C(=O)OC)C2)CCO1 1875333050 XQQNZULBABAPPP-UPJWGTAASA-N 299.367 1.966 0 50 CDAA CC(C)c1ccc(CC(=O)N2CC[C@@H]2C(N)=O)cc1 1875306943 QLALCYKYBUFZRE-CYBMUJFWSA-N 260.337 1.439 0 50 CDAA Cc1ccc([C@@H](N)CNC(=O)c2ccnc3[nH]ncc23)cc1 1875328182 DJMPKHVSRLYMTD-AWEZNQCLSA-N 295.346 1.696 0 50 CDAA N[C@@H]1C[C@@H](C(=O)O)CN(CC2CCC3(CC2)CC3)C1 1875303024 RPXOIODERLNHEA-CHWSQXEVSA-N 266.385 1.691 0 50 CDAA CC(=O)N1CCO[C@@H]2CCN(c3ncccc3F)C[C@H]21 886051522 PYTHFNGHSQMSQY-CHWSQXEVSA-N 279.315 1.047 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)[C@H](C)CN1C 888099628 UBTQXODFAFFAND-GHMZBOCLSA-N 287.367 1.133 0 50 CDAA CCc1cc(CNC(=O)N(C)[C@@H]2CCC[C@H]2O)n[nH]1 888314265 CPKHZXIPWPNRNE-VXGBXAGGSA-N 266.345 1.027 0 50 CDAA CCn1cc(Cl)c(NC(=O)NCCc2cn[nH]c2)n1 1774374548 LMJXLXSQWITCBR-UHFFFAOYSA-N 282.735 1.644 0 50 CDAA CN(C)[C@@]1(C)CCN(C(=O)[C@@H]2CCc3cccc(O)c32)C1 1775999942 ZATQHAAUPZEQNW-DYVFJYSZSA-N 288.391 1.975 0 50 CDAA O=C(c1ccc2nc(O)[nH]c2c1)N1CC[C@H](c2cc[nH]n2)C1 1775987469 DKNAGODTMWGDKO-JTQLQIEISA-N 297.318 1.621 0 50 CDAA CN1CCN(CCCNC(=O)c2ccc(F)cc2)CC1 20819345 UGRNPCAAVUUVTF-UHFFFAOYSA-N 279.359 1.193 0 50 CDAA CCN1CCC[C@@H]1CN(C)CCn1nc(C)cc1C 252486475 HLPULYVMDMKBMK-OAHLLOKOSA-N 264.417 1.916 0 50 CDAA C[C@H]1CN(C(=O)COc2ccccc2Cl)C[C@H](C)N1 153736778 QPOQMAGFKQFGCJ-QWRGUYRKSA-N 282.771 1.928 0 50 CDAA CNc1nc(C(=O)N2CCC(c3ncc[nH]3)CC2)cs1 72480172 BNGXURZXRZFCEA-UHFFFAOYSA-N 291.380 1.928 0 50 CDAA COc1cccc(C(=O)N[C@H]2C[C@H](C(=O)O)C2)c1OC 426589119 SOKFBQVTCFOMFX-KYZUINATSA-N 279.292 1.297 0 50 CDAA NCC[C@@H]1CN(Cc2cnccc2Cl)CCO1 426711312 LMPBDVDEPLOTCZ-LLVKDONJSA-N 255.749 1.285 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCCNCC1 534590663 JVUOXIRPYJHCDF-CYBMUJFWSA-N 278.400 1.465 0 50 CDAA CNc1ncc(C(=O)NCC[C@@H]2CCCOC2)cn1 534656116 QKUZBRPLUDKYSZ-JTQLQIEISA-N 264.329 1.065 0 50 CDAA CO[C@@H]1CNC[C@H]1NC(=O)c1ccc(C)c(Cl)c1 214051338 AXJMIAFYFWIDPT-VXGBXAGGSA-N 268.744 1.365 0 50 CDAA COC(=O)CN1C(=O)c2cccc3cccc(c23)C1=O 3892632 KZJOFXKSSJVGDO-UHFFFAOYSA-N 269.256 1.609 0 50 CDAA Cn1c(NC(=O)[C@H]2C[C@H](N)C2)nc2ccc(F)cc21 2325789298 IPUAQIBENSEYLX-XWEPSHTISA-N 262.288 1.388 0 50 CDAA O=C1NCCN(Cc2ccnn2C2CC2)c2ccccc21 2325808233 HXELWJQVZNSAOT-UHFFFAOYSA-N 282.347 1.968 0 50 CDAA CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 1875 KYGZCKSPAKDVKC-UHFFFAOYSA-N 261.233 1.448 0 50 CDAA biogenic,investigational COC(=O)c1ccc(CSc2nncn2C)cc1 138468 UMNLRWVXDOGLIY-UHFFFAOYSA-N 263.322 1.894 0 50 CDAA COC(=O)c1ccc(Oc2nc(C)cc(N)n2)cc1 174720 BGWAYHYFOYWZPB-UHFFFAOYSA-N 259.265 1.946 0 50 CDAA CC[C@H](C(=O)Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1 2868564 WRYOBZNVYSSZLO-JTQLQIEISA-N 273.292 1.196 0 50 CDAA CC(C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O 2876181 XPMMLNFXMNKMCG-UHFFFAOYSA-N 298.408 1.015 0 50 CDAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN)nc2)C1 3344814 RJBRCHSKLLBXKQ-NXEZZACHSA-N 284.385 1.034 0 50 CDAA CCCCSC(=S)N[C@H]1CCS(=O)(=O)C1 4954744 QSGNHKKTKNNSEW-QMMMGPOBSA-N 267.441 1.581 0 50 CDAA Cc1ccccc1OCc1nn2c(=O)c(C)nnc2s1 8400830 UZPWTPOEFJVBPE-UHFFFAOYSA-N 288.332 1.742 0 50 CDAA Cc1nc2c3c(C)c(C)n(CCN(C)C)c3ncn2n1 9340832 CGOBACZFXKUAEE-UHFFFAOYSA-N 272.356 1.566 0 50 CDAA O=C(NCCCN1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 100482855 KGHKTZJZPDWUCA-IHRRRGAJSA-N 266.385 1.261 0 50 CDAA CN(C[C@H]1CCOC1)S(=O)(=O)CC1CCCC1 177749622 JOTSSNKEIRWMSG-GFCCVEGCSA-N 261.387 1.475 0 50 CDAA Cc1cccc(Cn2nc(C)cc2NC(=O)c2ncn[nH]2)c1 55042618 XBMJTVFPARWZSY-UHFFFAOYSA-N 296.334 1.919 0 50 CDAA CCS(=O)(=O)N1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 100612117 YEUSQQDGKPZLMN-MELADBBJSA-N 284.425 1.166 0 50 CDAA CCOc1ccnc(NCCCN2CCCC2=O)n1 65490619 NOJBAHODWUTAMB-UHFFFAOYSA-N 264.329 1.300 0 50 CDAA CCC(=O)Nc1cccc(C(=O)NCc2nnc(C)o2)c1 53967825 CJUAKQWSLNYAQB-UHFFFAOYSA-N 288.307 1.657 0 50 CDAA CCOc1cccc(/C=C2\NC(=S)N(C)C2=O)c1O 100289714 QTFJLDDALVRQCW-CLFYSBASSA-N 278.333 1.478 0 50 CDAA CC(C)CNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621190 JMLHSZAUVRWUJC-UHFFFAOYSA-N 286.331 1.649 0 50 CDAA biogenic Cc1c(CN(C)Cc2ccc(-n3cncn3)cc2)cnn1C 65393753 AELUNFRNIYNVEY-UHFFFAOYSA-N 296.378 1.941 0 50 CDAA CC(C)OCCCNC(=O)c1cccc(-n2cnnn2)c1 20427432 BKCJTAULHWYZBG-UHFFFAOYSA-N 289.339 1.207 0 50 CDAA CC(C)Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)n[nH]1 67726644 VCQWNKRKIUJDTP-LBPRGKRZSA-N 278.400 1.680 0 50 CDAA COCc1nn(CC(F)(F)c2ccc(F)cc2)c(=O)o1 1364283148 PZNOOYRRJVIHPP-UHFFFAOYSA-N 288.225 1.914 0 50 CDAA C[C@@H](CN1CCCCC1)NC(=O)N1CCN2CCC[C@H]2C1 252441998 FYVYZQWKSDCYGT-GJZGRUSLSA-N 294.443 1.350 0 50 CDAA CCOc1ccc(Nc2ncccc2S(N)(=O)=O)cc1 65183159 ROIMKJJOWYKKKL-UHFFFAOYSA-N 293.348 1.871 0 50 CDAA O=C1CNCCN1c1cccc(OC(F)(F)F)c1 34550129 XJFWLJGWEYXTDT-UHFFFAOYSA-N 260.215 1.521 0 50 CDAA COCCn1ccnc1CN1CCC[C@H]1c1n[nH]c(C)n1 215769618 UCDRNISYAHCMPS-LBPRGKRZSA-N 290.371 1.293 0 50 CDAA Cc1cc(C)nc(-n2nc(-c3ccccc3)oc2=O)n1 71781717 ZNEDTPAKLDBFTB-UHFFFAOYSA-N 268.276 1.899 0 50 CDAA O=C1NC[C@@H](CNC(=O)c2ccccc2OCC2CC2)O1 253392244 DTWRDOHLGJKPRT-LLVKDONJSA-N 290.319 1.314 0 50 CDAA CCN(CCNC(=O)Nc1ccc(F)cn1)C1CC1 123369673 FMFHJBWOTXYUIO-UHFFFAOYSA-N 266.320 1.827 0 50 CDAA CNC(=O)CC(=O)Nc1ccc(-n2cnc(C)c2C)cc1 360947104 WLNFFJJKKWPMHA-UHFFFAOYSA-N 286.335 1.564 0 50 CDAA C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)C[C@@H](C)N1 154102698 IYWQTAPYDNFYJV-XJKCOSOUSA-N 288.391 1.899 0 50 CDAA CCn1nncc1C(=O)N(CCOC)[C@H]1CC[C@H](C)C1 330583386 SITBCJWRTTVRPN-RYUDHWBXSA-N 280.372 1.575 0 50 CDAA CN(Cc1nccs1)c1cc(C2CC(N)C2)ncn1 219319781 QSVBQYFZZGDYHP-UHFFFAOYSA-N 275.381 1.774 0 50 CDAA CSCC[C@H](O)C(=O)N(C)CCc1c(C)n[nH]c1C 216092011 YWXQGPAAPKDBCR-LBPRGKRZSA-N 285.413 1.141 0 50 CDAA CC(=O)C(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71765510 UDBGYTCGDFPGFF-BRWVUGGUSA-N 298.386 1.664 0 50 CDAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cn[nH]n1 72158250 NOZIBRMIBCCSRH-SNVBAGLBSA-N 261.285 1.387 0 50 CDAA O=c1[nH]c2ccc(-c3cccc4ccnn34)cc2c(=O)o1 72133218 DPBZKJIDQKUEMC-UHFFFAOYSA-N 279.255 1.796 0 50 CDAA Cc1cc(=O)n(CC(=O)Nc2ccccc2F)nc1C 72116024 KCSIYSSRZYEPGJ-UHFFFAOYSA-N 275.283 1.638 0 50 CDAA CC[C@H](NC(=O)c1cccc(C(=O)O)c1)c1noc(C)n1 237052629 LJKNRTQVTWXDBE-NSHDSACASA-N 289.291 1.957 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2CN)c1 131722860 GCBBYEMIWOTXLT-SNVBAGLBSA-N 272.345 1.246 0 50 CDAA Cn1nccc1N1CCC[C@@H](NC(=O)N2CCCCO2)C1 283478592 WXMWIOIGQOOXDU-GFCCVEGCSA-N 293.371 1.126 0 50 CDAA CCCN(C(=O)c1cc(Cl)c[nH]1)[C@H]1CC(=O)N(C)C1=O 283662486 UTXKQARHPXZVPA-JTQLQIEISA-N 297.742 1.278 0 50 CDAA NC[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 238051891 JIPHXLZWVAQCEU-GFCCVEGCSA-N 288.326 1.575 0 50 CDAA FC(F)(F)CN1CC[C@H](N[C@@H]2CCN3CCC[C@H]3C2)C1 240471629 GDILOLXJPWOZLM-AGIUHOORSA-N 291.361 1.839 0 50 CDAA COC[C@H]1CN(C(=O)c2cccc(OC)c2)CC(C)(C)O1 285441721 IVZQSAJLIXYMIZ-CQSZACIVSA-N 293.363 1.961 0 50 CDAA CN(Cc1ccc(C(F)F)cc1)[C@@H]1COC[C@H]1O 285624021 QTDOOWBMIPLMAX-VXGBXAGGSA-N 257.280 1.816 0 50 CDAA CN(C)CC(C)(C)CN=c1cc([C@@H]2CCOC2)nc[nH]1 426511511 BJYOESSTTBDYQO-GFCCVEGCSA-N 278.400 1.402 0 50 CDAA O=C([C@@H](O)Cc1ccccc1)N1CC(N2CCCCC2)C1 222672754 JOONMBAFYIPGED-INIZCTEOSA-N 288.391 1.287 0 50 CDAA CC[C@@H](NC(=O)c1csc(N)n1)[C@H]1C[C@H](O)C1 223505712 TURYWKBHXLOEGZ-GJMOJQLCSA-N 255.343 1.005 0 50 CDAA CCc1nc(CCNC(=O)CCc2nncn2C)cs1 426429110 VCRPFMWYZRRIJE-UHFFFAOYSA-N 293.396 1.126 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCc1nc2c(s1)CCCC2 177984188 NIDLKGDNIZEAKL-RKDXNWHRSA-N 294.376 1.401 0 50 CDAA C[C@H](CO)[C@@H](C)NC(=O)c1ccc(Cl)cc1O 160597567 RNDKUUFOJRCWRZ-HTQZYQBOSA-N 257.717 1.792 0 50 CDAA CC[C@@H]1NCC[C@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 289749175 WIUHWBDOTMQHMJ-MNOVXSKESA-N 289.335 1.344 0 50 CDAA CS(=O)(=O)N[C@H]1c2ccccc2CC12CCOCC2 289730963 XQPYYOQBDCMSBT-ZDUSSCGKSA-N 281.377 1.630 0 50 CDAA Cc1nn(C)c(C)c1OCC(=O)NOCc1ccccc1 176900002 HLTAGUSMMYIBPN-UHFFFAOYSA-N 289.335 1.664 0 50 CDAA C[C@@H](c1ccc(-c2ncn(C)n2)cc1)N1CCOCC1 426486165 NASUDJIRMLEVDT-LBPRGKRZSA-N 272.352 1.875 0 50 CDAA COc1ccc2c(C(=O)N3CC[C@H](CN)C3)cc(C)nc2c1 426493023 AGNQPYMWRJITAY-GFCCVEGCSA-N 299.374 1.973 0 50 CDAA O=C(Cc1n[nH]c2ccccc12)N1CCOCC(F)(F)C1 290535305 CXQLPBLOPTUGPG-UHFFFAOYSA-N 295.289 1.600 0 50 CDAA Cc1nonc1OCCNC(=O)[C@H]1CC12CCCCC2 426410507 LSUWQNBUYRXNLE-LLVKDONJSA-N 279.340 1.843 0 50 CDAA CCc1cnc(N)nc1NCC[C@@H](C)N(C)CC 95355664 JFDWDDSUVPEWMO-SNVBAGLBSA-N 251.378 1.763 0 50 CDAA O=C1C[C@H](C(=O)Oc2ccc3c(c2)CCC3)CCN1 161815640 HKKNNANZCGHTLK-GFCCVEGCSA-N 259.305 1.607 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)OC[C@H]1CCCO1 239121248 JODYRQMUZSXWIR-PREPNJAASA-N 266.293 1.232 0 50 CDAA Cc1cc(C)n2ncc(CN(C)CCc3ncon3)c2n1 97797387 BCCAINOSXXFENU-UHFFFAOYSA-N 286.339 1.404 0 50 CDAA Cc1cc(Br)oc1C(=O)NC1(CCO)CC1 331472357 KBYMHPNWRUHJPI-UHFFFAOYSA-N 288.141 1.995 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C(=O)O)N1CCSCC1 95368247 GGQHJKFASPZMFG-JTQLQIEISA-N 255.343 1.201 0 50 CDAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 91416748 SMOMQWZECOJYNE-HNNXBMFYSA-N 277.368 1.981 0 50 CDAA O=C([C@H]1CCCCO1)N1CCC(Oc2ncccn2)CC1 97546641 QWIGXTCCKBWCSE-CYBMUJFWSA-N 291.351 1.416 0 50 CDAA Cc1ccn2cc(Cn3c(=O)n(C)c4ccncc43)nc2c1 95529133 BGOIHIGAIPRZKH-UHFFFAOYSA-N 293.330 1.739 0 50 CDAA Cc1nn(C)cc1CN1CCC(O)(CN2CCCC2)CC1 97301257 MIQHNFILBGXARF-UHFFFAOYSA-N 292.427 1.151 0 50 CDAA O=C(O)CCN1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 91645371 RQQURIPIOHDUTM-NWDGAFQWSA-N 281.283 1.400 0 50 CDAA Cc1ccccc1[C@H](O)CNC(=O)[C@@H](N)C(C)(C)C 237673869 LNVILWAFUMSOHQ-CHWSQXEVSA-N 264.369 1.518 0 50 CDAA Cc1cccc([C@H](C(=O)NCc2n[nH]c(C)n2)N(C)C)c1 95386167 DQVQKHLMXRGJLX-CQSZACIVSA-N 287.367 1.341 0 50 CDAA COCC[C@]1(CO)CCCN(Cc2nnc(C3CC3)o2)C1 91808661 SFVNJPFQGOJSRJ-OAHLLOKOSA-N 295.383 1.558 0 50 CDAA Cc1ccc(NC(=O)N2CCN(C)[C@@H](CO)C2)c(Cl)c1 97602374 MLUMAWZVAOQHAY-LLVKDONJSA-N 297.786 1.789 0 50 CDAA Cc1c(CCC(=O)N2CC[C@@H](O)C23CCCC3)cnn1C 294349356 XILGNACIOJQXPK-CQSZACIVSA-N 291.395 1.567 0 50 CDAA CCn1c(CN2CCC(F)(F)CC2)nnc1[C@H]1C[C@@H](N)C1 244796142 RTVQOWATQHYLGW-PHIMTYICSA-N 299.369 1.734 0 50 CDAA CSCC(=O)N[C@H](CC(C)C)c1ncnn1C 534662461 NFCWHNCNZQSWDS-SECBINFHSA-N 256.375 1.382 0 50 CDAA CC(C)n1ccnc1CNC(=O)C[C@@H]1CCCOC1 534673040 AKSLSUJJFCCBRP-LBPRGKRZSA-N 265.357 1.897 0 50 CDAA CC(C)c1cc(CN[C@@H]2CCNC(=O)CC2)no1 534580409 HZFZUTFRLOGEIU-JTQLQIEISA-N 251.330 1.556 0 50 CDAA CN1CCN(C2(CNC3CCOCC3)CCCC2)CC1 534659145 LACJMNDPTCVNNL-UHFFFAOYSA-N 281.444 1.315 0 50 CDAA O=C(NCCn1cccc1)c1ccnc2ccncc12 352053869 WWSLEBSFDXTVQP-UHFFFAOYSA-N 266.304 1.861 0 50 CDAA Cc1cc(O)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N 534667880 ILNHEESEIXAMFM-GNXNZQSNSA-N 260.337 1.510 0 50 CDAA CN(C)[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1O 365818994 VYVIDLMKKGPOHS-UWVGGRQHSA-N 275.274 1.212 0 50 CDAA CN(C)CC(C)(C)NC(=O)c1cncc(Cl)c1 457242195 PEXDMWMSBDIGND-UHFFFAOYSA-N 255.749 1.805 0 50 CDAA CNC(=O)[C@H]1CCCCN1C(=O)c1c(Cl)c(C)nn1C 299779481 RYTZSWJRXHCRRS-SECBINFHSA-N 298.774 1.123 0 50 CDAA O=C(NCc1nncn1C1CCCCC1)C1CCOCC1 827763711 LAFODIFZMSFMCN-UHFFFAOYSA-N 292.383 1.826 0 50 CDAA CCN1CCC(CN=c2cc[nH]cc2F)(N(C)C)CC1 823107385 VQRWRCKPXSLCHR-UHFFFAOYSA-N 280.391 1.471 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)c1ccncc1F 822636527 CGFFFJDPQHIVBQ-JTQLQIEISA-N 262.288 1.626 0 50 CDAA Cc1ncn(C)c1C(=O)N[C@H](C)c1nc(C(C)C)no1 584885583 MFRSJMYFQXMTTR-SECBINFHSA-N 277.328 1.726 0 50 CDAA O=C(C1CCC1)N1CCC(N2CCC[C@@H](O)CC2)CC1 670466908 NKWCNYRGJCQYMZ-OAHLLOKOSA-N 280.412 1.624 0 50 CDAA CN(C)[C@H](Cn1cnc2cnccc2c1=O)c1ccco1 670458290 NKWKNJPJQFHNCT-CYBMUJFWSA-N 284.319 1.687 0 50 CDAA CN(CC1(CO)CCC1)S(=O)(=O)c1ccccc1F 670465103 MIGRNUYVSFQTBW-UHFFFAOYSA-N 287.356 1.609 0 50 CDAA Cc1cc(Cc2noc(C3(O)Cc4ccccc4C3)n2)no1 1343301740 UVLDVQIEBBECSA-UHFFFAOYSA-N 297.314 1.943 0 50 CDAA Cc1nn(CCO)c(C)c1CNCc1noc(C(C)C)n1 952867836 TVTSZZZDPJNWQD-UHFFFAOYSA-N 293.371 1.288 0 50 CDAA CNc1cc(N2CCC[C@@H]2CNc2cncc(C)n2)ncn1 302115030 RFIZXFVYCDWHMY-GFCCVEGCSA-N 299.382 1.698 0 50 CDAA CN(C)[C@H]1CCC[C@@H]1NC(=O)c1cncc(F)c1 1565530117 GMUMFBQSWQTIEX-RYUDHWBXSA-N 251.305 1.433 0 50 CDAA CC[C@@]1(C)COCCN1C(=O)c1cnc(C)nc1C 408124647 QWMMZRDXWREWMR-AWEZNQCLSA-N 263.341 1.735 0 50 CDAA CC1(C)[C@@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@H]21 408231542 NQECBRYGKKAVJM-HTQZYQBOSA-N 289.364 1.656 0 50 CDAA C[C@H]1CCn2ncc(C(=O)NS(=O)(=O)C3CCC3)c2C1 408497509 JJRPWTIMIFJOPX-VIFPVBQESA-N 297.380 1.078 0 50 CDAA CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(N)=O)cc1 408512918 ZKQYSISPWLJXGF-KBPBESRZSA-N 289.379 1.388 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](N)(C(F)(F)F)C1 95743262 YHPCKIFBYOPVAL-SECBINFHSA-N 254.252 1.887 0 50 CDAA in-vitro COc1cccc(CN(C)C(=O)c2cc(C)no2)n1 189174760 GOQQABFQKUYILU-UHFFFAOYSA-N 261.281 1.659 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(Cc2cccc3[nH]ccc23)C1 671492839 LWBLWFVVAZWNKY-MRXNPFEDSA-N 297.362 1.396 0 50 CDAA CN1CCO[C@@H](CN=c2cncc[nH]2)[C@@H]1c1ccccc1 583617569 XPHCWZJIBAVDKF-HOCLYGCPSA-N 284.363 1.382 0 50 CDAA Cc1nc(N2CCC[C@@](O)(CO)C2)c2c(C)csc2n1 583799380 ZEKRWKUZTHTQII-AWEZNQCLSA-N 293.392 1.632 0 50 CDAA COc1cncc(CNC(=O)CCc2ccncc2)c1 585131506 XOVKUOUKHNTPCX-UHFFFAOYSA-N 271.320 1.734 0 50 CDAA CCCCCOCC(=O)N1C[C@@]2(C)CN(C)C[C@]2(C)C1 585128845 PCDJFVFWJZGOFK-HZPDHXFCSA-N 282.428 1.993 0 50 CDAA Cc1cc(NC(=O)COC[C@H]2CCCO2)c(Cl)nn1 585125086 FZFSCJXUUJJKGC-SECBINFHSA-N 285.731 1.573 0 50 CDAA COCc1ccc([C@@H]2CCCN2c2nnnn2C)o1 564011959 YFIXLELPEPCNGG-JTQLQIEISA-N 263.301 1.291 0 50 CDAA CN1C(=O)Cc2cc(NC(=O)[C@@H]3CCCOC3)ccc21 194690984 GBHHPEBEFVIWCH-SNVBAGLBSA-N 274.320 1.571 0 50 CDAA Cc1ccnc(N2CCC[C@@H]2C(=O)N2CCOCC2)c1 195539157 JLQSNYJLHKDDEW-CYBMUJFWSA-N 275.352 1.218 0 50 CDAA C=CC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 791393931 UWVBVNAEYRGVFD-LLVKDONJSA-N 282.702 1.887 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NC(C)(C)c2ccc(F)cc2)N(C)C1 794368570 NQWCRIUHXDSFJI-KBPBESRZSA-N 294.370 1.896 0 50 CDAA COc1cc(CCNC(=O)[C@@H]2NCC23CCCC3)ccn1 1615544298 ALCJNUOWRPTMSK-AWEZNQCLSA-N 289.379 1.281 0 50 CDAA CCn1cc(C(=O)Nc2nnc([C@@H](C)OC)s2)cn1 1506404792 VLQCCLZEYVFYQR-SSDOTTSWSA-N 281.341 1.714 0 50 CDAA COCCN1CCC[C@H](CN(C)Cc2ccnn2C)C1 1506425415 OMGKYDODQDTPPR-CQSZACIVSA-N 280.416 1.210 0 50 CDAA Cn1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cn1 220942805 ANDNNTSKIMJFBM-DLOVCJGASA-N 277.324 1.278 0 50 CDAA C[C@H](C(=O)Nc1nccn1C)n1cnc2ccccc21 1529173266 UNZXPYDEBQTUAU-SNVBAGLBSA-N 269.308 1.970 0 50 CDAA Oc1cccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1 1529195508 LGQDCJBODVWHOX-CZUORRHYSA-N 285.347 1.218 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](C(C)C)C1 335045708 BAWHNHIAPDIFIQ-ZDUSSCGKSA-N 265.357 1.452 0 50 CDAA COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 2871936 FTSRQTLEEZDUGD-CYBMUJFWSA-N 297.376 1.711 0 50 CDAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3nccn3C)C[C@H]2C1 1704350790 OSKWEPCJQHEZHB-NMWPEEMBSA-N 276.428 1.971 0 50 CDAA COC(=O)c1ccc2[nH]cc(C(=O)C(=O)N(C)C)c2c1 498050507 ICSYZDCSQKBSGR-UHFFFAOYSA-N 274.276 1.225 0 50 CDAA in-vitro CN(C)C(=O)C1(C)CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1775979643 NFCARVSWDYCUSM-CYBMUJFWSA-N 295.427 1.045 0 50 CDAA Cc1cc(C(=O)NCc2[nH]nc3ncccc23)cc(C)n1 1772818527 SWIHHWGXHIYEKU-UHFFFAOYSA-N 281.319 1.900 0 50 CDAA Cc1ncc(Cl)c(NCCN2CCCC[C@@H]2CO)n1 1772707054 PCNCMQMMQINUPP-LLVKDONJSA-N 284.791 1.697 0 50 CDAA Cc1c(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)cnn1C 1775977364 GBDOGPLASIPXTJ-CQSZACIVSA-N 292.427 1.807 0 50 CDAA Nc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 5068319 QGAFLQXQAIYZJQ-ZDUSSCGKSA-N 284.315 1.839 0 50 CDAA CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 6743819 UPXSPWMEMFAECQ-UHFFFAOYSA-N 296.392 1.687 0 50 CDAA CC(C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 19850897 HCANCXYZLJHIMQ-UHFFFAOYSA-N 282.409 1.542 0 50 CDAA Cc1ccc(F)c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c1 168180308 FFLRQQBZCLWZDY-FVCCEPFGSA-N 293.294 1.951 0 50 CDAA CCn1ccc(C(=O)Nc2ccc3c(c2)OCCO3)n1 2763118 MKRROFBNNGOVPN-UHFFFAOYSA-N 273.292 1.927 0 50 CDAA CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 4501654 OMFFMPHXNDLYOA-JTQLQIEISA-N 285.365 1.925 0 50 CDAA N[C@H]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1c1ccc(O)nn1 1857532047 DIVFPAFVBULTFZ-NTZNESFSSA-N 290.367 1.363 0 50 CDAA C[C@@H](c1cccc(-c2nc(C(N)=O)nn2C)c1)N1CCCC1 1857724747 BBQQQQBDOCRTAW-NSHDSACASA-N 299.378 1.738 0 50 CDAA C[C@H](CNC(=O)CCc1ccc(F)cc1)c1nncn1C 225556298 WANKWVHXBXSMKO-LLVKDONJSA-N 290.342 1.807 0 50 CDAA CCn1nc(CNC(=O)[C@@H]2CC[C@H](N)C2)c2ccccc21 215605238 BDCMUUZUFVRPNE-NEPJUHHUSA-N 286.379 1.800 0 50 CDAA OC[C@@H]1CN(c2ncc(F)c(-c3ccsc3)n2)C[C@@H]1O 418965417 STWQQJDHGMMCFY-ONGXEEELSA-N 295.339 1.134 0 50 CDAA C[C@H](Cc1cnn(C)c1)NC(=O)NC1C[C@@H]2C[C@H]2C1 333433457 UWFFUZXWGDJFEC-USWWRNFRSA-N 262.357 1.449 0 50 CDAA COc1ccc(Cl)cc1CN1CCOC[C@@H]1CC(N)=O 449772438 KZOCFAQNJIINGL-LBPRGKRZSA-N 298.770 1.425 0 50 CDAA CCc1cccc(CN2CCC(NC(N)=O)CC2)c1 241383375 MUXQTQMBVOTTNH-UHFFFAOYSA-N 261.369 1.882 0 50 CDAA C[C@H]1CN(CCOc2ccc(C=O)cc2)C[C@@H](C)O1 16488508 FWGFRHFIGCOVLE-BETUJISGSA-N 263.337 1.987 0 50 CDAA in-vitro O=C(NCCc1ccccn1)N1CC(F)(F)C[C@H]1CO 364002686 PTBJGAIHLJNQOG-NSHDSACASA-N 285.294 1.036 0 50 CDAA O=C(c1ccc2ccccc2c1)N1CCC(O)(C(=O)O)CC1 262560769 ZQDOUMCFEGPSGZ-UHFFFAOYSA-N 299.326 1.892 0 50 CDAA Cc1csc(C2(NC(=O)c3ccc(=O)[nH]n3)CCC2)n1 265273726 HBPIVOOYPXSZPV-UHFFFAOYSA-N 290.348 1.344 0 50 CDAA CS[C@H](C)C(=O)Nc1nc(-c2cnn(C)c2)ns1 900800724 DUXTTZFDNBBKEI-ZCFIWIBFSA-N 283.382 1.629 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC(OC(C)(C)C)CC1 901042330 VOVCHORDVHKCOK-UHFFFAOYSA-N 296.411 1.827 0 50 CDAA CN(C(=O)[C@H]1CCCC(=O)N1C)c1ccc(F)c(F)c1 906390840 ZEXJUJGXHCCNLH-GFCCVEGCSA-N 282.290 1.939 0 50 CDAA C[C@@H](CN(C)C(=O)c1n[nH]cc1C(F)(F)F)C(=O)O 909150066 SZJUSVCSGWUSFP-YFKPBYRVSA-N 279.218 1.221 0 50 CDAA CC(C)(O)CC(=O)N1CCOc2ccccc2[C@H]1C(=O)O 911057313 NVRVTAGABJLWBF-ZDUSSCGKSA-N 293.319 1.194 0 50 CDAA C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[C@H]1CC(=O)NC1=O 929570719 TUIGOTLMRJGUSR-GXSJLCMTSA-N 292.310 1.398 0 50 CDAA Cc1noc(C(=O)N2CCn3nc(C(C)(C)C)cc3C2)n1 834489997 CBZJYXWPOWRTBO-UHFFFAOYSA-N 289.339 1.528 0 50 CDAA O=C(NCCc1nc[nH]n1)c1ccc(C(F)F)c(F)c1 933611500 QJYCVRJCCPVUGK-UHFFFAOYSA-N 284.241 1.854 0 50 CDAA Nc1ccc(C(=O)NCc2cccc(C(=O)O)c2)nc1 128923173 YKYXDQJAJVCGSL-UHFFFAOYSA-N 271.276 1.292 0 50 CDAA NC1CC2(C1)[C@H]1CCCN1CCN2Cc1cccc(F)c1 1875274103 HANXAKOSGQUFRF-AQFXKWCLSA-N 289.398 1.966 0 50 CDAA CC[C@@H](C)CCn1cc(C2(O)CCOCC2)nn1 1875282329 XVRCAGGSSYPWMD-LLVKDONJSA-N 253.346 1.712 0 50 CDAA CCn1nc2c(c1C(=O)NC1CC1)C[C@H](C)O[C@@H]2C 1875313993 BRLJSTOUODVSDF-DTWKUNHWSA-N 263.341 1.817 0 50 CDAA CCN(Cc1nn[nH]n1)C(=O)CCc1ccc(OC)cc1 1875390422 LSKHIMINTMECCY-UHFFFAOYSA-N 289.339 1.190 0 50 CDAA CC(C)[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C=CS(=O)(=O)C1 1875310072 BSPBPFXOOCTPMX-FRRDWIJNSA-N 285.409 1.876 0 50 CDAA O=C(N[C@H](C(F)F)C1CC1)N1CCc2nnc(O)cc2C1 888090929 OLYOQWVPIIUJJO-NSHDSACASA-N 298.293 1.294 0 50 CDAA Cn1nc(C2CC2)cc1C(=O)NC1(c2ccccc2)COC1 888560627 UPEVEVUFWGXMEI-UHFFFAOYSA-N 297.358 1.953 0 50 CDAA C[C@]1(C2CCN(Cc3cncnc3)CC2)COC(=O)N1 896459696 NFQWUFTXPTWQFI-CQSZACIVSA-N 276.340 1.187 0 50 CDAA Cc1ncccc1CCNC(=O)[C@H]1NCC12CCCC2 1775770033 NFQCHZMUHVGVKN-CQSZACIVSA-N 273.380 1.581 0 50 CDAA CN(C(=O)N1C[C@@H](N)C2(CCC2)C1)C1CCOCC1 1775962392 IZRYGWNBKGENQX-GFCCVEGCSA-N 267.373 1.030 0 50 CDAA CC(C)(C)OC(=O)N1CC2(F)CC(C(=O)O)(C1)C2 1775954915 XCCUDEQQGQQSBH-UHFFFAOYSA-N 259.277 1.810 0 50 CDAA c1coc(-c2noc([C@]34CNC[C@H]3CCOC4)n2)c1 900014941 GNHJMOLKRNPYGU-RNCFNFMXSA-N 261.281 1.207 0 50 CDAA CCOC(=O)Cn1cnc2cc(Cl)ccc2c1=O 260521433 UBRUNORDHYGKKT-UHFFFAOYSA-N 266.684 1.613 0 50 CDAA C[C@H](c1ccccn1)N(C)C(=O)c1ccn(C)c(=O)c1 194728897 FVRYPZDVHADONY-LLVKDONJSA-N 271.320 1.614 0 50 CDAA Cn1ncc(Cl)c1C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 659231418 KDJZMCCDLBYIEL-KNVOCYPGSA-N 271.704 1.009 0 50 CDAA OC[C@H]1CN(Cc2cnc3ccccc3c2)C[C@@H]1O 317550292 YWDSAOZUHATULB-HIFRSBDPSA-N 258.321 1.020 0 50 CDAA Cc1ncccc1C(=O)N1CCC(C2(O)CC2)CC1 652664517 HSPOXGTWCDLZPQ-UHFFFAOYSA-N 260.337 1.767 0 50 CDAA N=c1cc[nH]cc1C(=O)N1CC[C@H](C2CCOCC2)C1 578194413 YMTRFDOGBJMUPS-LBPRGKRZSA-N 275.352 1.383 0 50 CDAA Cc1nc(CCNCc2cccc3c2OCC3)n[nH]1 693060993 NVQNTSHYLWDQOO-UHFFFAOYSA-N 258.325 1.380 0 50 CDAA O[C@@]1(c2ccccc2)c2ccccc2C2=NCCN21 3632418 AYCFVKGYERYDRT-INIZCTEOSA-N 250.301 1.956 0 50 CDAA CCOC(=O)c1nn(Cc2ccon2)c(=O)c2ccccc12 15083639 JQBCTRBBBZEGDT-UHFFFAOYSA-N 299.286 1.610 0 50 CDAA CN(C(=O)c1cnc([C@@H]2CCOC2)s1)c1cn[nH]c1 2325769721 CGRAMMIREGMRTO-MRVPVSSYSA-N 278.337 1.647 0 50 CDAA Cn1ncc2c1C[C@H](C(=O)Nc1ccc3cc[nH]c3n1)CN2 2325795898 DICPPCVFTCDTTR-JTQLQIEISA-N 296.334 1.519 0 50 CDAA CO[C@H]1CN(C(=O)C(C)(C)c2ccccc2)CC[C@H]1N 71774962 JYLAWHAWGSXLDY-KGLIPLIRSA-N 276.380 1.539 0 50 CDAA C[C@H](Cc1cnn(C)c1)C(=O)N1CCc2ncccc21 888141967 MLWWOKCPTLHSJA-LLVKDONJSA-N 270.336 1.583 0 50 CDAA CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCCN1C(=O)C1CC1 128700441 AFCHKONRYIUAFW-ZIAGYGMSSA-N 294.395 1.415 0 50 CDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCc1cccnc1 53309 XOLCGPJCJZCOSE-RYUDHWBXSA-N 262.309 1.589 0 50 CDAA CCOC(=O)c1ccc(CSc2nncn2N)o1 179292 UXJZSMGNMZMHBW-UHFFFAOYSA-N 268.298 1.054 0 50 CDAA CCc1ccc(S(=O)(=O)n2ccnc2C)cc1 194059 SRCTYXRBHWBWBE-UHFFFAOYSA-N 250.323 1.991 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C 213348 CKLDMAZMNQOOAD-UHFFFAOYSA-N 296.392 1.189 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(N)c1)C(=O)O 2582998 QNDSZPLLLMNLBY-JTQLQIEISA-N 296.323 1.495 0 50 CDAA CN(C)c1nc(=N[C@H]2CC[C@H](C(=O)O)CC2)s[nH]1 2356167962 KEVYGLDERIJWTD-ZKCHVHJHSA-N 270.358 1.081 0 50 CDAA NC(=O)[C@@H](NC(=O)Nc1ccccn1)c1ccc(F)cc1 225779952 BVPQGTMOLXIUFP-LBPRGKRZSA-N 288.282 1.569 0 50 CDAA CN(C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20215483 HCYSAEAPTHPXSC-UHFFFAOYSA-N 291.351 1.215 0 50 CDAA Cc1ccc(CNC(=O)c2cnc3sccn3c2=O)cc1 55568521 OCVNFITZABIEAU-UHFFFAOYSA-N 299.355 1.994 0 50 CDAA CC[C@H]1C=CCN1C(=O)c1c[nH]c2cc(C)nn2c1=O 102251563 LHPDMZFDGHGWCB-JTQLQIEISA-N 272.308 1.122 0 50 CDAA 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C[C@@H](c1ccncc1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 230116127 IBVUOAPZBSMHKI-ZMLRMANQSA-N 278.308 1.233 0 50 CDAA O=C(CNC1CC1)N[C@H](c1ccccn1)C(F)(F)F 215753800 YMWZWTLEGWJSIA-LLVKDONJSA-N 273.258 1.553 0 50 CDAA COc1ccccc1OC1CN(C[C@H]2CCOC2)C1 72165733 BLCZTXYAJVEIFR-GFCCVEGCSA-N 263.337 1.795 0 50 CDAA Cc1cccc(C(=O)N2CCC3(CC2)CC(=O)N(C)C3)n1 72477695 YXLLTJWNWBGLIF-UHFFFAOYSA-N 287.363 1.475 0 50 CDAA C[C@H](c1nc(C2CC2)no1)N1CCC[C@H]1Cn1cncn1 257365644 CWFSIMMKDLUNGB-PWSUYJOCSA-N 288.355 1.764 0 50 CDAA C[C@@H](NC(=O)Cc1ccc(F)cc1F)c1nncn1C 219401631 LDYAKPHOLYTIMH-MRVPVSSYSA-N 280.278 1.513 0 50 CDAA Cc1cc(=O)cc(C(=O)NC[C@H](C)Oc2cccnc2)o1 216128288 YLAJUFDCABVJKW-NSHDSACASA-N 288.303 1.541 0 50 CDAA O=C(COc1ccccc1F)N1CC[C@@](O)(C(F)F)C1 452672569 TXVPLGUFRFCDNT-ZDUSSCGKSA-N 289.253 1.433 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC[C@@](CO)(c2ccccc2)C1 367289330 KFNXXIAJWVOIIB-QGZVFWFLSA-N 299.374 1.505 0 50 CDAA Cc1nn(C)c2c1[C@@H](c1ccc(O)cc1)CC(=O)N2 72117685 OTRLLZFSRRPZDL-LLVKDONJSA-N 257.293 1.908 0 50 CDAA COC[C@@H]1[C@@H](NC2CSCCSC2)[C@@H]2CCO[C@@H]21 219037184 YVXKFYDCFKNPNP-RNJOBUHISA-N 289.466 1.475 0 50 CDAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)C1[C@H]2CCC[C@H]12 127099112 BXIGLDIZXHVERD-DCAQKATOSA-N 290.367 1.422 0 50 CDAA CC[C@H]1CN(Cc2cnc(N(C)C)nc2)CCN1C(C)C 72149014 VCJZOHALLVKWKA-HNNXBMFYSA-N 291.443 1.847 0 50 CDAA NCc1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccn1 262141771 MMZLRNYJOGMFFF-UHFFFAOYSA-N 299.330 1.242 0 50 CDAA COC(=O)[C@@]12CCOC[C@@H]1CN(C[C@H]1CCC=CO1)C2 373485427 NSIQDNNPLNRRRF-GZBFAFLISA-N 281.352 1.191 0 50 CDAA O=C(NCCCn1ccnc1)c1cccc2ccnn12 72172889 HWHRCBBIBUZICJ-UHFFFAOYSA-N 269.308 1.351 0 50 CDAA C[C@H]1CN(C(=O)c2cnc(-c3ncccn3)s2)CCN1 237583842 LOGDGUGYWFMJRV-VIFPVBQESA-N 289.364 1.034 0 50 CDAA O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1C[C@H]2CC[C@@H]1O2 334024192 GBGFBKNZWCZAMF-QYNIQEEDSA-N 275.230 1.935 0 50 CDAA C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@H]2CCNC2)C1 237600469 YYRYXWQJDRQPFZ-QWHCGFSZSA-N 273.380 1.715 0 50 CDAA Cc1cccc2nc(CCC(=O)N3C[C@@H](O)C4(CC4)C3)[nH]c12 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CC[C@H](O)CSc1nnc(CN)n1-c1ccc(F)cc1 426563082 AZGZXQYPHAMXND-NSHDSACASA-N 296.371 1.728 0 50 CDAA CN1CC[C@@H](NC(=O)CCCCc2ccccc2)C1=O 223541854 DPRKJXSEHTUOSU-CQSZACIVSA-N 274.364 1.746 0 50 CDAA O=C(C[C@@H]1CCOC1)NCCc1ccc2c(c1)OCO2 426535512 NIBKQLGVFCKIGM-LBPRGKRZSA-N 277.320 1.501 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 426430641 HKQNDHQKLYCOOJ-QWHCGFSZSA-N 296.411 1.820 0 50 CDAA Cc1nc2ccc(C(=O)NCCc3cnn[nH]3)cc2s1 426396451 LVBSSVVXEQVDIX-UHFFFAOYSA-N 287.348 1.695 0 50 CDAA COc1cc(OC)cc(-c2nc(C(=O)N(C)C)n[nH]2)c1 426521216 KLDXGECJCOVCQQ-UHFFFAOYSA-N 276.296 1.191 0 50 CDAA Cc1noc2ncnc(N3CC[C@](C)(O)[C@H](C)C3)c12 91807994 ALDSDLWPVFSUKA-OQPBUACISA-N 262.313 1.523 0 50 CDAA CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 95630375 AKHBRSJRXLGZJK-UWVGGRQHSA-N 273.329 1.167 0 50 CDAA CCN1CCC[C@@H]1Cn1ncc2ccccc2c1=O 95378791 JHIWODQGDGOHCN-CYBMUJFWSA-N 257.337 1.881 0 50 CDAA Cc1ccc2c(c1)CN(Cc1cnc(C(=O)O)cn1)CCO2 530165956 LEQLHHYHGDDHHR-UHFFFAOYSA-N 299.330 1.878 0 50 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COC(=O)[C@H](N)CC(=O)Nc1ccc(C(C)C)c(F)c1 1875287590 QCHOTFGJZRMHFG-GFCCVEGCSA-N 282.315 1.778 0 50 CDAA Cc1ccnc(S(=O)(=O)NC(=O)C[C@H]2CC=CCC2)c1 1875283924 IBEONSMKFHTPJO-LBPRGKRZSA-N 294.376 1.941 0 50 CDAA O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2 1875277835 IOLZXHJPOMHMQY-QZMLZZDBSA-N 293.363 1.417 0 50 CDAA O=C(OC[C@H](O)[C@@H]1CCOC1)c1cncc2cnccc12 1875327386 XEBFBIYAILDUJM-YGRLFVJLSA-N 288.303 1.184 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)CSC)CC1 1875365626 HYKLZUVHTUHFAZ-JTQLQIEISA-N 270.398 1.279 0 50 CDAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875304301 GSGOTSJGKRZVFX-MFDAYCCISA-N 285.365 1.019 0 50 CDAA Cc1noc(C[C@]2(O)CCCN(Cc3ccn(C)c3)C2)n1 888076233 LFGDOPKPRYWOJD-OAHLLOKOSA-N 290.367 1.286 0 50 CDAA Cn1ccnc1CN1C[C@@H](C(=O)O)Cc2cc(F)ccc21 1775990578 NPJFGYUKPWIAGZ-NSHDSACASA-N 289.310 1.823 0 50 CDAA CS[C@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)O 237415435 NEBAQVMAZNEUJA-NXEZZACHSA-N 259.371 1.984 0 50 CDAA CC(C)CCO[C@H]1CCN(C(=O)C2(C(=O)O)CC2)C1 154975704 QSVMMIHRFMMVOX-NSHDSACASA-N 269.341 1.515 0 50 CDAA CS(=O)(=O)N1CCC(Oc2ccc(F)cc2)CC1 49706364 BSDKYJPUUPXHKM-UHFFFAOYSA-N 273.329 1.629 0 50 CDAA CO[C@H](C)c1nsc(N2[C@H]3CC[C@H]2CC(O)C3)n1 310653462 HEGCLHKWTDWEQT-VGMNWLOBSA-N 269.370 1.738 0 50 CDAA O=C1CN(Cc2cccc(OC(F)(F)F)c2)CCCN1 670452408 HUQOYSSKQSRVGY-UHFFFAOYSA-N 288.269 1.907 0 50 CDAA C[C@H](Cc1cn(C)c2ccccc12)NC(=O)c1n[nH]c(O)n1 2325786980 QOQJGFQQGOEBBV-SECBINFHSA-N 299.334 1.363 0 50 CDAA CC1(C)CCC[C@H]1NC(=O)[C@H]1CCn2nncc2C1 2325790185 WOCVUVJFPHZPKD-CMPLNLGQSA-N 262.357 1.535 0 50 CDAA CO[C@@H]1CC(N2CC[C@@H](n3cc(Cl)cn3)C2)C[C@H]1OC 2325806117 VVXFEKDXHYDNBD-MRVWCRGKSA-N 299.802 1.976 0 50 CDAA CC[C@H](C)C(=O)C(=O)N[C@@H](C(=O)N1CCCCC1)C(C)C 2325811300 NDRQCPVMJYHAHI-QWHCGFSZSA-N 296.411 1.755 0 50 CDAA CC(=O)N[C@H](CC(C)C)C(=O)OCc1ccnc(O)c1 884598557 DWESFXCGPUOGBM-GFCCVEGCSA-N 280.324 1.381 0 50 CDAA Cc1ccccc1C1(C(=O)N(C)C[C@H](C)c2nnn[nH]2)CC1 124148543 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CWAVEUMZGVUKNS-UHFFFAOYSA-N 298.390 1.547 0 50 CDAA O=C(NCc1cnc2n1CCC2)[C@H]1CC[C@@H]2CCCCN21 1364018714 FRPOFWWPGMEZMD-GXTWGEPZSA-N 288.395 1.462 0 50 CDAA Cc1ccccc1CCC(=O)NCC[C@H]1CN(C)CCO1 67834180 ZIUPRBXBXACZES-INIZCTEOSA-N 290.407 1.765 0 50 CDAA CCc1cnc(C)nc1N(C)C[C@H]1COCCO1 65385516 HEZRWWWIYNVBCW-LBPRGKRZSA-N 251.330 1.199 0 50 CDAA Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 49140 XOXHILFPRYWFOD-UHFFFAOYSA-N 284.728 1.513 0 50 CDAA biogenic,in-man O=S1(=O)C[C@H](O)[C@@H](N2CCC(c3ccccc3)CC2)C1 1059220 VIFMKLYRCXCLCL-GJZGRUSLSA-N 295.404 1.024 0 50 CDAA CCc1ccc(CN2CCOC[C@H](CN(C)C)C2)nc1 72156308 VGHUQYKTXZQCHA-OAHLLOKOSA-N 277.412 1.654 0 50 CDAA CCCC[C@H]1C=CCN1Cc1cc2n(n1)CCNC2 216006331 QMPDGKMOAFXFGG-AWEZNQCLSA-N 260.385 1.917 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1Nc1ncc(Cl)cn1 219850253 RGRXYQKJCSTNBP-ZDCRXTMVSA-N 269.732 1.592 0 50 CDAA COC(=O)[C@@H]1CCN(Cc2cc(F)ncc2F)C[C@@H]1C 253430602 NDIVOQVCHZJAGM-GXSJLCMTSA-N 284.306 1.991 0 50 CDAA O=C(NC[C@@H]1CCCOC1)[C@@H]1CCCN1CC(F)(F)F 360040376 WTQGKDMHMZSPMJ-QWRGUYRKSA-N 294.317 1.556 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)/C=C/c1cncc(F)c1 121981789 WSRBQGVYEWUSNW-YNVXZPTESA-N 277.343 1.962 0 50 CDAA CC(C)(C(=O)N1CCCS(=O)(=O)CC1)C1CC1 329266874 FTZIGDFXCYHGON-UHFFFAOYSA-N 259.371 1.070 0 50 CDAA Cc1nc(C(=O)N[C@@H](C)c2nc(C3CCCC3)no2)no1 124086781 UGOOJIXNEMWZCU-ZETCQYMHSA-N 291.311 1.910 0 50 CDAA COC(=O)[C@@H]1C[C@@H](O)CCN1C(=O)OCc1ccccc1 33801931 UZYUNWAMEQIRQH-STQMWFEESA-N 293.319 1.322 0 50 CDAA Cc1nccc(C2CCN(C(=O)c3ncccc3O)CC2)n1 216479170 VXJHRBVFACOTNF-UHFFFAOYSA-N 298.346 1.905 0 50 CDAA CO[C@@H]1CCCN(C(=O)c2ccc(F)c(O)c2)C1 216383972 KZBWNLAOSHZDOT-SNVBAGLBSA-N 253.273 1.782 0 50 CDAA COc1ccc2c(ccn2CC(=O)NCCC(=O)O)c1 32124477 HIGPHNAFQWUBQH-UHFFFAOYSA-N 276.292 1.241 0 50 CDAA biogenic COCC[C@@H](NC(=O)c1cc(C(C)C)no1)C(=O)O 262260138 DLVNFVFKIXILSJ-MRVPVSSYSA-N 270.285 1.018 0 50 CDAA COCc1nc(N2C[C@H](C)O[C@H](C)C2)c2cnn(C)c2n1 72173895 HXHZNVPDYVCJHY-AOOOYVTPSA-N 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295.350 1.292 0 50 CDAA C[C@H](CCn1cccn1)NC(=O)C(=O)c1cccnc1 223187771 LQBIVQILQBLARN-LLVKDONJSA-N 272.308 1.056 0 50 CDAA CCCN(CC(=O)O)C(=O)[C@H]1CCO[C@H]1C(C)C 263420345 KZIZJPSVWHYVPT-JQWIXIFHSA-N 257.330 1.371 0 50 CDAA CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)CC2 177053346 PJEOHJDTCRHXHS-UPJWGTAASA-N 288.395 1.879 0 50 CDAA CCCCNC(=O)CNC(=O)OCc1ccccc1 49398145 SDXXZHZRBSSKNU-UHFFFAOYSA-N 264.325 1.829 0 50 CDAA O=C(c1cnccn1)N1CCC(OCc2ccccn2)CC1 223348426 BEHTVDWJNJCRSQ-UHFFFAOYSA-N 298.346 1.693 0 50 CDAA COc1ncccc1-c1ccc(N2CCN(C)CC2)nn1 426707143 FIPRWRMFXSDKIQ-UHFFFAOYSA-N 285.351 1.299 0 50 CDAA CC(C)n1nccc1C(=O)N(C)CCCc1nccn1C 426361247 UNHKJUIPPUJHTR-UHFFFAOYSA-N 289.383 1.902 0 50 CDAA COc1ccc(OCCCN)c(C(=O)N(C)C)c1 426438882 NXAHNUWAYBILGC-UHFFFAOYSA-N 252.314 1.125 0 50 CDAA Cc1cnn([C@H]2CCN(C(=O)c3cccc(C(N)=O)c3)C2)c1 290880049 GCUPLUWROUAGOK-AWEZNQCLSA-N 298.346 1.378 0 50 CDAA CCCO[C@@H](C)CNC(=O)c1ccc(C(=O)O)cc1 97797231 KQOYSZVRGDPWDN-JTQLQIEISA-N 265.309 1.930 0 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COc1cccc(C2CCN(Cc3nnn(C)n3)CC2)c1 193320470 FLELGWZAELWOMR-UHFFFAOYSA-N 287.367 1.598 0 50 CDAA c1ccc2[nH]c(N3CCN(Cc4nc[nH]n4)CC3)nc2c1 651455988 GISBDPQBGLJMRS-UHFFFAOYSA-N 283.339 1.003 0 50 CDAA O=C(NCCNc1ccccn1)c1cccc(Cl)n1 749726756 QBLDPGVORPXYGC-UHFFFAOYSA-N 276.727 1.972 0 50 CDAA CC1(C)CN(S(=O)(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1O 1616028787 AELXMEDVPMKPJI-MCIONIFRSA-N 295.404 1.575 0 50 CDAA C[C@@H](NC(=O)C(F)(F)C1(O)CCC1)c1cnccn1 1647348186 XXUBIIHUMNDPLA-MRVPVSSYSA-N 271.267 1.204 0 50 CDAA CNC(=O)c1c(NCC2(OC)CCC2)n[nH]c1C 1659102920 JZNRKBYYHVJRHL-UHFFFAOYSA-N 252.318 1.059 0 50 CDAA COC[C@H](NS(=O)(=O)c1ccc(C)o1)[C@H]1CCCO1 331202480 QTVNNAYAFAGXTK-WDEREUQCSA-N 289.353 1.060 0 50 CDAA COc1ncnc(OC)c1C(=O)N1CC[C@@H]1C(C)C 331923163 HLTOGHWBRALDOU-SECBINFHSA-N 265.313 1.364 0 50 CDAA CC[C@@H](NC(=O)c1cc(OC)no1)[C@@H](O)C(F)(F)F 334035089 LHRFCGKNZDWUKH-SVGQVSJJSA-N 282.218 1.115 0 50 CDAA Cc1nn(CCCN[C@H](C)CN(C)CCO)c(C)c1C 1506406885 HDXQRYFZBWBXCR-GFCCVEGCSA-N 282.432 1.101 0 50 CDAA C=CC(=O)N(C)C[C@@H]1OCCN(C)[C@@H]1c1ccccc1 1875368099 PMLPSONWGZQRAW-GOEBONIOSA-N 274.364 1.703 0 50 CDAA CC[C@@H](NC(=O)C1(C(=O)O)CC1)c1nc(C)cs1 154867167 BHLBBIPMMSCOGW-MRVPVSSYSA-N 268.338 1.884 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H](N)C2)nn1C 158043765 MYZOUHSPUORDJB-SNVBAGLBSA-N 250.346 1.107 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)C1[C@@H]2CCCC[C@@H]12 161830161 SJXXQTPPKPMSSW-MXWKQRLJSA-N 251.326 1.888 0 50 CDAA COc1ccnc(Cn2c(C)cc(O)cc2=O)c1OC 1547139335 NNTPSPFGKMINOX-UHFFFAOYSA-N 276.292 1.323 0 50 CDAA CC(=O)c1cccc(NC(=O)NN2CCN(C)CC2)c1 5041398 RGFSPRNVNSFFMW-UHFFFAOYSA-N 276.340 1.173 0 50 CDAA CN(Cc1cccc(O)c1)C[C@H]1CCC(=O)N(C)C1 1775980562 ZTJYFMTUZUVZBR-CYBMUJFWSA-N 262.353 1.692 0 50 CDAA COC(=O)/C=C/c1ccc(OCC(=O)OC)c(OC)c1 12419295 MOFNREXIRFMPCX-FNORWQNLSA-N 280.276 1.433 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)no1 12846313 VTDPVMZIYBFVRH-LBPRGKRZSA-N 287.275 1.820 0 50 CDAA O=C1C[C@@H](N2CCOCC2)C(=O)N1c1cccc(Cl)c1 19228503 MTSSENIRHIPGNK-GFCCVEGCSA-N 294.738 1.304 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1cccs1)C2N 19331009 CSIGALDALAPVJI-UHFFFAOYSA-N 263.410 1.731 0 50 CDAA COc1cccc(CC(=O)NC2(C(=O)O)CCC2)c1 164851982 YWQPUYXWXFLHLU-UHFFFAOYSA-N 263.293 1.361 0 50 CDAA Cc1[nH]nc(O)c1C(c1cccnc1)c1c(O)n[nH]c1C 4115332 CZAKAAUTTLIMJM-UHFFFAOYSA-N 285.307 1.736 0 50 CDAA CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)NC(=S)N1 5757509 IUFOKBIDMREVEE-SNVBAGLBSA-N 281.768 1.618 0 50 CDAA CCOc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 5937390 YINSAELHVGVKSS-JTQLQIEISA-N 273.354 1.399 0 50 CDAA COC[C@H](C)C(=O)N1CCC[C@H](CCC(=O)O)C1 237231258 PYAONQDNXGYATD-WDEREUQCSA-N 257.330 1.372 0 50 CDAA COc1cnc(C)cc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1857698171 GMTZATXGEBOYTE-MVWJERBFSA-N 262.309 1.306 0 50 CDAA CCN(CCC(=O)O)C(=O)c1cc(C2CC2)[nH]n1 236826364 SYSVJCCWTAGYNY-UHFFFAOYSA-N 251.286 1.224 0 50 CDAA COc1ccc(NC(=O)c2cn3c(n2)CCNCC3)cc1 1875250392 UWFZUUHJXZBRET-UHFFFAOYSA-N 286.335 1.290 0 50 CDAA CC(C)C1(CNC(=O)c2cc(O)nc3ncn(C)c23)CC1 408518139 VONKOICVLBAQOZ-UHFFFAOYSA-N 288.351 1.840 0 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1.570 0 50 CDAA CC[C@@H]1C(=O)NCCCN1Cc1nccc(OC)c1OC 933218522 RAOGKBUXRSBFBE-GFCCVEGCSA-N 293.367 1.199 0 50 CDAA CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@@H]2COC(=O)C2)CCO1 864095249 ATJMBXNIBUVEOQ-AGIUHOORSA-N 298.383 1.585 0 50 CDAA Cc1nc([C@@H]2CCCN2C[C@@H](O)Cn2cccn2)[nH]c1C 952994894 VZYDQTXMAVRPQY-KGLIPLIRSA-N 289.383 1.421 0 50 CDAA Cc1cc(NC(=O)NCCc2cn3c(n2)CCCC3)on1 1875252378 BSVSWUFDXAHAMU-UHFFFAOYSA-N 289.339 1.880 0 50 CDAA CC(F)(F)c1noc(CNC(=O)N2CCCC2)n1 1875282702 PAUQGTLFXRUECC-UHFFFAOYSA-N 260.244 1.487 0 50 CDAA CCn1nccc1[C@@H](C)NCc1snnc1C 1875285501 PBPOCXMQNRQCSP-MRVPVSSYSA-N 251.359 1.914 0 50 CDAA C=CC(=O)N1CCC(C(=O)NC(C)(C)CCCO)CC1 1875367460 DQBWFPKBWCNPCX-UHFFFAOYSA-N 282.384 1.078 0 50 CDAA C=CC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 1875391449 WUSAMRHBIKDFNO-LBPRGKRZSA-N 286.310 1.701 0 50 CDAA Cc1ccccc1[C@@H](N)C(=O)NCc1ccns1 1875347883 YFKMOMVVZOHXQL-GFCCVEGCSA-N 261.350 1.768 0 50 CDAA O=C([C@@H]1CCCO[C@H]1c1cn[nH]c1)N1CCC=C(F)C1 888076065 UATXKGYKJIKABI-OLZOCXBDSA-N 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NC(=O)[C@@H](NC(=O)c1cnn2c1CCCC2)c1ccccc1 269738219 ZAUDOZNMCDQVNR-AWEZNQCLSA-N 298.346 1.176 0 50 CDAA O=C(O)[C@@H]1CC12CCN(C(=O)c1ccc3n[nH]cc3c1)CC2 405475537 HGSVLQCLOLRYNQ-LBPRGKRZSA-N 299.330 1.890 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCc1ccccc1 169693995 ZPHBCOITRGMVGO-BYNSBNAKSA-N 285.343 1.868 0 50 CDAA Cn1ccc2c(C(=O)N3CCO[C@H](C(=O)O)C3)cccc21 169796947 DKNLVQKRNNKOST-ZDUSSCGKSA-N 288.303 1.104 0 50 CDAA C=CC(=O)NCCNC(=O)[C@@H]1CCc2ccc(OC)cc21 277192851 GAYHBBNWOQKMDX-CYBMUJFWSA-N 288.347 1.143 0 50 CDAA CO[C@]1(C(=O)O)CCN(C(=O)Cc2cccc(F)c2F)C1 630254277 PMYWDIAUFHJIBS-CQSZACIVSA-N 299.273 1.209 0 50 CDAA C[C@H](CNC(=O)CC1OCCO1)N(C)c1ccccc1 170607927 PYKSDTTUWKRPRQ-GFCCVEGCSA-N 278.352 1.391 0 50 CDAA O=C(N[C@@H]1CCCC[C@H]1O)c1cc(-c2ccoc2)[nH]n1 548173290 IPXCGWNDLVBDBV-ZWNOBZJWSA-N 275.308 1.703 0 50 CDAA CCn1nccc1N1CCC[C@@H](NC2CCOCC2)C1=O 188572321 AWZTXBXFLHVSCS-CYBMUJFWSA-N 292.383 1.167 0 50 CDAA COC[C@]1(C(=O)N(C)Cc2ccccc2C)CCCN1 643618398 NKFNHIPRICSBDW-INIZCTEOSA-N 276.380 1.722 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)CCc1cccs1 643847478 HWHJHWRNEODQMA-CQSZACIVSA-N 297.376 1.773 0 50 CDAA COC(=O)c1ccc(Cn2ncccc2=O)cc1F 192398370 ZFDQRXROUKSTKA-UHFFFAOYSA-N 262.240 1.217 0 50 CDAA C=CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 585086951 XXBKSLFIYGNUSG-SFYZADRCSA-N 282.369 1.366 0 50 CDAA CC1CCC(O)(Cn2nnc(-c3ccco3)n2)CC1 193411374 PSMFBNDMWYFSKP-UHFFFAOYSA-N 262.313 1.874 0 50 CDAA CCCCNC(=O)[C@@H](C)N1CCC[C@H](n2ccnn2)CC1 585116515 ZKIVYZIHCZBZRK-KGLIPLIRSA-N 293.415 1.610 0 50 CDAA Cc1ccc(C(=O)N(C2CC2)[C@H]2CCNC2)c(O)c1 653125694 UKNHLQXNINLITG-LBPRGKRZSA-N 260.337 1.667 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)c1oc(CO)cc1C 1615001430 RQORRJBJICNPQA-MWLCHTKSSA-N 253.298 1.235 0 50 CDAA O=CN1CCCN(CC2(C(F)(F)F)CC2)CC1 1615588027 WRYQLIWGDPMDIP-UHFFFAOYSA-N 250.264 1.493 0 50 CDAA CO[C@H]1C[C@@H](C(=O)Nc2cc3ccccc3cn2)N(C)C1 1615586470 OLBCGCRDQWFMPL-KBPBESRZSA-N 285.347 1.892 0 50 CDAA Cc1cc(O)nc(N[C@@H](C)CO[C@@H]2CCOC2)n1 1336546446 TVBHTZMYKCPRKL-VHSXEESVSA-N 253.302 1.097 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(C2CCCC2)C1 219849 RLNDDYZKYVBPFV-YPMHNXCESA-N 280.368 1.073 0 50 CDAA CN1C[C@H]2CN(Cc3ccc(C(=O)O)cc3)C[C@H]2C1 215613944 FWFOLFUELXWVPE-OKILXGFUSA-N 260.337 1.378 0 50 CDAA CC[C@H]1CN(c2ncc(F)c(NC)n2)CCN1C 1506430915 ZENDUFITVJJWJR-VIFPVBQESA-N 253.325 1.188 0 50 CDAA COCCCNC(=O)[C@@H](C)NC(=O)OC(C)(C)C 6201766 TYIJDOGDSSTJGJ-SECBINFHSA-N 260.334 1.052 0 50 CDAA in-vitro CC(C)(C)c1ncsc1C(=O)N1CC[C@@H](N)C1 132387079 UVUAWQXNHFWFEE-MRVPVSSYSA-N 253.371 1.614 0 50 CDAA COC(=O)c1cncc(OCCNC(=O)OC(C)(C)C)c1 142108415 LFUWEBHQNUHTKN-UHFFFAOYSA-N 296.323 1.772 0 50 CDAA CCn1nc(C)c(C(=O)NC[C@H]2CCCOC2)c1C 263873589 UQLZLEHNSAFNDL-GFCCVEGCSA-N 265.357 1.676 0 50 CDAA COc1ccccc1NC(=O)CSc1nncn1C 466573 ZDCZFKCZUOFFHD-UHFFFAOYSA-N 278.337 1.555 0 50 CDAA COc1c(C)cccc1C(=O)N[C@@H](CC(C)C)C(N)=O 12462949 SGGBZLLUJDAWQW-LBPRGKRZSA-N 278.352 1.633 0 50 CDAA Nc1nc(O)c(CCCc2ccc(C(=O)O)cc2)c(O)n1 5588655 GBBVOAWLGQEGEW-UHFFFAOYSA-N 289.291 1.344 0 50 CDAA in-vitro COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C(C)=O)CC2 11892180 WGLUPWYKTQGEDB-LBPRGKRZSA-N 293.319 1.624 0 50 CDAA O=C(CC1CCNCC1)NCc1ccc(F)cc1 19427377 OALNDISZAQKKCQ-UHFFFAOYSA-N 250.317 1.832 0 50 CDAA CCOc1c(CNCCN(C)C)cccc1OC 19871957 GHPMJQPRYALTKG-UHFFFAOYSA-N 252.358 1.745 0 50 CDAA CCc1nc(CN2CC[C@H](N(CC)CC)C2)n[nH]1 158749116 AVZMRBKNMLTPSO-NSHDSACASA-N 251.378 1.283 0 50 CDAA O=C(O)c1ccc(Br)c([S@@](=O)O)c1 165748680 AKLGSGDPQJTCGQ-UHFFFAOYSA-N 265.084 1.728 0 50 CDAA O=C(Cn1nc(-c2ccco2)ccc1=O)NCc1ccco1 5387887 LRCOABDCXHBGHS-UHFFFAOYSA-N 299.286 1.413 0 50 CDAA N=c1n(N)c2ccccc2n1CC(=O)c1ccccc1 4982007 VQLIUIMVLHCXOL-UHFFFAOYSA-N 266.304 1.519 0 50 CDAA O=C(Nc1cccc(F)c1)[C@H]1CC[C@H]2OCCN[C@@H]2C1 1857732258 JLEKSPPEBDUFQS-ZLKJLUDKSA-N 278.327 1.921 0 50 CDAA O=C1C[C@@H](c2ccc(-c3ccc4nccn4n3)cc2)CN1 1875245858 AXTNYCJXYLQMNI-CYBMUJFWSA-N 278.315 2.000 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ccnn2C)n1 408038499 NMRHMGLYFJGVIQ-SKDRFNHKSA-N 277.328 1.074 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC[C@@H]1c1ccccn1 608355590 XVNYWKANPBADMR-CYBMUJFWSA-N 256.309 1.711 0 50 CDAA O=C(Nc1nnc2n1CCCC2)c1c(O)cccc1F 120095679 NMNOHVHDMAERST-UHFFFAOYSA-N 276.271 1.711 0 50 CDAA C[C@H]1CN(C(=O)Cc2cccc3c2CCNC3)[C@@H](C)CO1 637929970 RHVYUKGIQGVVIB-STQMWFEESA-N 288.391 1.511 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(CCOCC2CCCC2)C1 643818256 KIGPCKUGNVLVMR-INIZCTEOSA-N 298.427 1.156 0 50 CDAA CCn1c(-c2ccccn2)nnc1N1CCOCC2(CC2)C1 253433646 ZQDNTJOQPULOHB-UHFFFAOYSA-N 299.378 1.977 0 50 CDAA Cc1c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cnn1C 253624269 KXUGKISZVKBVKM-UHTWSYAYSA-N 291.351 1.586 0 50 CDAA C[C@H](CNC(=O)c1cnc[nH]1)N(C)Cc1ccccc1 264723569 DCWVQKYTXUJVTD-GFCCVEGCSA-N 272.352 1.660 0 50 CDAA COc1ccc([C@H](C)NC(=O)/C=C/CN(C)C)cc1OC 265664823 RQVNUJAIZIIXGW-SYTKJHMZSA-N 292.379 1.999 0 50 CDAA C[C@]1(O)CCN(C(=O)c2cc3c(cc2O)CCCC3)C1 267216368 ICGIPDIWACOXIO-INIZCTEOSA-N 275.348 1.868 0 50 CDAA CCc1oc(C(=O)O)cc1CN1CCO[C@@H]2COCC[C@@H]21 903946915 ORGMNVXTPADPOG-SMDDNHRTSA-N 295.335 1.530 0 50 CDAA COc1ccnc(N(C)C(=O)c2cnc(N(C)C)cn2)c1 905968381 NTVDWMDTNKVTAP-UHFFFAOYSA-N 287.323 1.223 0 50 CDAA C[C@@H](Nc1cc(C(F)F)nc2ncnn12)C1CCNCC1 906095409 XLSTXGBEUAKTLA-MRVPVSSYSA-N 296.325 1.862 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C(=O)CC[C@]2(C(=O)O)C1 1857781227 YPFVTZKKCQAULR-SDBXPKJASA-N 269.297 1.287 0 50 CDAA CCN=c1nc(N2CCC[C@@H](CO)[C@H]2C)cc(C)[nH]1 1875286965 PAVZJDFUPPMPSR-NEPJUHHUSA-N 264.373 1.236 0 50 CDAA Cn1cc(C[N@]2C[C@@H]2COc2ccc3c(c2)CCOC3)cn1 1875379696 UVZFFQPHIPXNHV-OXQOHEQNSA-N 299.374 1.756 0 50 CDAA CN(Cc1ccno1)C(=O)[C@H]1COc2ccccc2C1 1875346834 CKPPJIJDFLZVPM-GFCCVEGCSA-N 272.304 1.884 0 50 CDAA C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1ccccn1 877949172 WKUOFYGITYWUMD-YGRLFVJLSA-N 270.336 1.787 0 50 CDAA Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1ccccc1 10366462 AKCLGQSHRGMYBI-UHFFFAOYSA-N 290.344 1.895 0 50 CDAA C[C@H]1CCN(C(=O)CCc2cc[nH]n2)CCS1 1775987363 KYEFDECSUDPSJB-JTQLQIEISA-N 253.371 1.696 0 50 CDAA O[C@@H]1COC2(CCN(Cc3nccs3)CC2)C1 97654119 TXFLMJIIZYZWLK-JTQLQIEISA-N 254.355 1.259 0 50 CDAA CC(C)[C@H](O)CN1CCCN(c2cccnn2)CC1 292774731 YRHIKDWWWDBONI-CYBMUJFWSA-N 264.373 1.006 0 50 CDAA O=C(N[C@]1(CCCO)CSC[C@H]1O)c1ccccc1 2930772 KVDDTGXKMGBKNW-TZMCWYRMSA-N 281.377 1.035 0 50 CDAA COCc1nc(-c2ccc(OC)cc2OC)nn1C 2100545510 TWTPOPAELFKHDV-UHFFFAOYSA-N 263.297 1.646 0 50 CDAA O=C(C1CCCCC1)N1CCN(c2ncccn2)CC1 135866 ZGPJSKIKWRVBTN-UHFFFAOYSA-N 274.368 1.706 0 50 CDAA CC[C@H](C)Nc1nc(SCC(=O)OC)nc(N(C)C)n1 205650 CKXGAEVBLOPBOH-QMMMGPOBSA-N 299.400 1.413 0 50 CDAA NC(=O)c1cc2cc(Br)ccc2oc1=O 261818 GTMVXKDEZKIAIS-UHFFFAOYSA-N 268.066 1.654 0 50 CDAA COc1cc(CC(=O)O)cc(Br)c1O 2528079 RKJWTDZZELJFSC-UHFFFAOYSA-N 261.071 1.790 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)O)C1 2577429 YYLYNLCAWXUCDY-VIFPVBQESA-N 259.302 1.487 0 50 CDAA COc1ccccc1OCC(=O)N[C@H](C)[C@H]1CCCO1 6741185 IZAIHEFCVRLZQK-VXGBXAGGSA-N 279.336 1.758 0 50 CDAA CCOC(=O)NCCC(=O)N[C@@H]1CCCC12CCOCC2 225738330 QAJXDHJFMCHABD-GFCCVEGCSA-N 298.383 1.588 0 50 CDAA Cc1nn2c(c1-c1ccccc1)N[C@H](CO)CC2=O 20674477 AISFMXGONAPWEB-NSHDSACASA-N 257.293 1.675 0 50 CDAA COC(=O)c1cnc(I)c(O)c1 114976411 UKOKYRURRVVDHR-UHFFFAOYSA-N 279.033 1.178 0 50 CDAA Cc1cc(CC(=O)NCCC[C@@H]2CCOC2)on1 67840608 NUDUBGAVSPZPFJ-LLVKDONJSA-N 252.314 1.458 0 50 CDAA Cc1nc(NCCc2n[nH]c(=O)[nH]2)c2ccsc2n1 67867422 BLPRHWVNEYUHTJ-UHFFFAOYSA-N 276.325 1.066 0 50 CDAA CC/C=C(\C)CN1CC[C@@H](CNC(=O)c2ccncn2)C1 67821228 GWYPBPOXRYMXIZ-HIICFIELSA-N 288.395 1.885 0 50 CDAA CCOC(=O)C1(NC(=O)C2CCN(C(C)C)CC2)CCC1 65531357 XACOAWTWEYAVCH-UHFFFAOYSA-N 296.411 1.709 0 50 CDAA CCN(C)c1ccnc(N(C)Cc2cccnc2)n1 65395737 IKBCKGWGAJJMLJ-UHFFFAOYSA-N 257.341 1.964 0 50 CDAA CCC(=O)N[C@@H]1CCc2cc(C(=O)OC)ccc2NC1=O 1363700892 WAFKLQJJLJKPFO-GFCCVEGCSA-N 290.319 1.253 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1c(C)nc2sccn12 67674338 JGZNHVNWIOGBKH-UWVGGRQHSA-N 295.364 1.238 0 50 CDAA S=C(c1ccc2c(c1)OCO2)N1CCOCC1 217154 FMLOSRXWOQMQDQ-UHFFFAOYSA-N 251.307 1.423 0 50 CDAA biogenic O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 373425 PXSRKHOPMCRLOO-ASZHBFLOSA-N 262.313 1.443 0 50 CDAA O=C(Cc1cccs1)NC1(C(=O)O)CCOCC1 127447257 QMYNXPLQWPQJEO-UHFFFAOYSA-N 269.322 1.041 0 50 CDAA CC[C@H]1COCCN1C(=O)c1ccn(CC)c(=O)c1 77422751 ZUSRTBGEZKSAAW-LBPRGKRZSA-N 264.325 1.119 0 50 CDAA CN1CCN(C(=O)c2cn[nH]c2)C[C@H]1c1ccccc1 215972313 NNUSNWWYFSQRPR-AWEZNQCLSA-N 270.336 1.539 0 50 CDAA C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc2cccnc2[nH]1 334720805 ABHMTAXRMNOQRU-ZWNOBZJWSA-N 273.336 1.938 0 50 CDAA Cc1nc(-c2ccccc2NC(=O)N2CC[C@H](O)C2)no1 363231577 XLDFKQSQGUONPD-JTQLQIEISA-N 288.307 1.644 0 50 CDAA CCCn1ncc(CN2CCc3[nH]nc(CO)c3C2)c1C 215100918 YAWVTRQMKIDURY-UHFFFAOYSA-N 289.383 1.375 0 50 CDAA C[C@@H]1c2nncn2CCN1C(=O)[C@H]1CCOc2ccccc21 330166218 VAWVVSXUASYABM-YPMHNXCESA-N 298.346 1.748 0 50 CDAA CN(C)CC[C@H]1CCCCN1S(=O)(=O)c1cccnc1 77489884 AFAUEHSCJMNFBI-CYBMUJFWSA-N 297.424 1.577 0 50 CDAA CC(=O)N1CC[C@H](n2c(S)nc3ccccc3c2=O)C1 155363794 ZGWIYZLURRRTCE-JTQLQIEISA-N 289.360 1.479 0 50 CDAA CCc1nc(CN2C[C@@H](CO)Cc3ccccc32)n[nH]1 366423241 FXYKGZXWWBIPRH-NSHDSACASA-N 272.352 1.538 0 50 CDAA CONC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 159562373 UGCXZGSJJYUQAP-ZCFIWIBFSA-N 284.366 1.534 0 50 CDAA COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)cc1 34926290 WLLXQBKWDFUXPD-WDEREUQCSA-N 263.293 1.991 0 50 CDAA CC1(S(=O)(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)CC1 333416787 LBSAPOKKYQGKEF-NSHDSACASA-N 298.339 1.013 0 50 CDAA O=C(O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1 79124150 ZPIDVNTZFXKGIN-LURJTMIESA-N 263.228 1.140 0 50 CDAA CSCc1cc(C(=O)N2CCNCC2)ccc1F 237380825 ZGKIQDFERAMAIZ-UHFFFAOYSA-N 268.357 1.734 0 50 CDAA O=C(c1ccc(C(F)(F)F)nc1)N1C[C@@H](F)C[C@H]1CO 336367247 VDGQPKNLBYUPHW-IUCAKERBSA-N 292.232 1.645 0 50 CDAA CN[C@@H](CC(C)C)C(=O)NCCCc1csc(N)n1 222897546 YAFGMGUDWDVOEX-NSHDSACASA-N 284.429 1.408 0 50 CDAA Cc1nnc(N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)o1 285235702 YIZOBNHUAFYCEG-NWDGAFQWSA-N 263.272 1.829 0 50 CDAA C[C@H](N[C@H](C)c1nnc2n1CCCC2)C(=O)OC(C)(C)C 241644326 PPYGTQMVFJBFPF-MNOVXSKESA-N 294.399 1.995 0 50 CDAA COC(=O)c1ccc(O)c(NC(=O)c2ccnn2C)c1 242287983 YKAHUSPXLGVTPD-UHFFFAOYSA-N 275.264 1.165 0 50 CDAA COCCN1CC[C@H](CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 242302103 YPNWMTLDJLDHDB-TUVASFSCSA-N 282.428 1.358 0 50 CDAA Cc1cccc(N2CCC(N[C@H]3CCNC3)CC2)c1 426422768 FPQXPLLGUNKIPQ-HNNXBMFYSA-N 259.397 1.915 0 50 CDAA CNCc1nnc(SCC[C@@H]2CC2(F)F)n1C 426518869 YJGMLQBZPWPTFJ-SSDOTTSWSA-N 262.329 1.672 0 50 CDAA CO[C@H](C)c1noc(CN2C(=O)OC3(CCCC3)C2=O)n1 289949142 WCVLIBIQWHYURE-MRVPVSSYSA-N 295.295 1.569 0 50 CDAA Cc1ccc(C(=O)N[C@@H]2COC3(CCCC3)C2)c(=O)[nH]1 221153772 FKAAIKVMZCZQJD-NSHDSACASA-N 276.336 1.515 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H](CN)C2)nn1-c1ccccc1 178549847 ZTYBITPGYUGUQC-ZDUSSCGKSA-N 284.363 1.602 0 50 CDAA CN(CCC(=O)O)C(=O)c1cccc(N2CCCC2=O)c1 237237025 YPPMRWDNXAKGLE-UHFFFAOYSA-N 290.319 1.360 0 50 CDAA COc1ccc(CN2C[C@H](CO)[C@H](CN(C)C)C2)c(C)c1 91604036 GAJCNPRMBNPMQU-HZPDHXFCSA-N 292.423 1.606 0 50 CDAA CC[C@H]1CN(c2nccnc2OC)CCN1C(C)C 96149746 VNXUIWLQGXMROP-LBPRGKRZSA-N 264.373 1.794 0 50 CDAA CNC(=O)c1ccc(CN2C[C@@H](C)[C@](O)(C(C)C)C2)cc1 91486342 RGDQYVJPRMDZLD-CXAGYDPISA-N 290.407 1.885 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCCCCN1C 95367312 NSLSKJXAUMJYRC-HNNXBMFYSA-N 292.427 1.950 0 50 CDAA CNCc1nc([C@@H]2CCOC2)nn1-c1nc2ccccc2[nH]1 97294939 LDMRVHQNPKRUPE-SNVBAGLBSA-N 298.350 1.367 0 50 CDAA COc1cc(CCC(=O)N2CC[C@@H](N)C2)cc(OC)c1 237316197 BQSIODKZMFBEPZ-GFCCVEGCSA-N 278.352 1.196 0 50 CDAA O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 238950839 ZWXLDFJXRQHOEM-HAQNSBGRSA-N 297.376 1.856 0 50 CDAA CN(C(=O)CCc1cc(F)ccc1F)[C@H]1CCNC1 179102227 MYRHQOUICGPSHU-LBPRGKRZSA-N 268.307 1.718 0 50 CDAA O=C(O)c1ccccc1CN1C[C@@H]2CC[C@H]1CNC2 97527224 HXYFTYOJWNJUED-YPMHNXCESA-N 260.337 1.569 0 50 CDAA CCN(CC)CCNC(=O)c1ccc(C(C)C)[nH]c1=O 97601081 QZNURGPQNRLHBM-UHFFFAOYSA-N 279.384 1.570 0 50 CDAA COc1ccc(Cn2ncnc2CCc2nncn2C)cc1 97744967 CXNYHUDEQRPNAA-UHFFFAOYSA-N 298.350 1.249 0 50 CDAA CCc1ccc(-c2nc3c([nH]2)CCCNC3=O)nc1 95361090 WBNKVNQUYIZQND-UHFFFAOYSA-N 256.309 1.710 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)CC[C@@H]1CCCCN1C 95389024 HKLNMGGJRPQQKY-ZDUSSCGKSA-N 278.400 1.907 0 50 CDAA Cc1c[nH]c(CN(C)CCC(=O)Nc2nccs2)n1 244724066 MMXXBUPPRVPJKK-UHFFFAOYSA-N 279.369 1.635 0 50 CDAA Cc1noc(C)c1[C@H](C)CC(=O)N1CCCn2nnnc21 294428470 OWMFPRMQIAUDAI-MRVPVSSYSA-N 290.327 1.208 0 50 CDAA CCN1CCC[C@H]1CN(CCO)Cc1nccs1 244763991 OZGANXDOUYJDLH-LBPRGKRZSA-N 269.414 1.422 0 50 CDAA COCC1(CNC(=O)CCCn2ccnc2)CCCC1 244873439 WQKNPDMYHZSKNK-UHFFFAOYSA-N 279.384 1.986 0 50 CDAA Cc1cnc(C)c(N2CCN(C(=O)c3ccco3)CC2)n1 298201401 JUDPJLLCEJKNON-UHFFFAOYSA-N 286.335 1.649 0 50 CDAA C[C@@H](NC(=O)Cn1ccccc1=O)[C@H]1C[C@H]2CC[C@H]1C2 110538375 ASSDPISOGGPUPV-ZOBORPQBSA-N 274.364 1.789 0 50 CDAA Cn1ncc(Cl)c1C(=O)NCC[C@H]1CCOC1 534641496 HIEJGUQVWYNQEP-QMMMGPOBSA-N 257.721 1.230 0 50 CDAA CC[C@@H](NC(=O)c1cc(OC)ccn1)c1ncnn1C 534659719 PIFASWNOPXNYNK-SNVBAGLBSA-N 275.312 1.100 0 50 CDAA CCCN1CCC(CN=c2[nH]c(C(=O)O)co2)CC1 572845221 JATRFUXFMIZUPP-UHFFFAOYSA-N 267.329 1.329 0 50 CDAA O=C(CN1Cc2ccccc2C1)NCc1cncn1C1CC1 827838977 XBHIUTCQQLDJMS-UHFFFAOYSA-N 296.374 1.850 0 50 CDAA CC1(C)CC(NCCN2CCC[C@H](CO)C2)CC(C)(C)N1 828711114 FLZKQWINHCIPKN-AWEZNQCLSA-N 297.487 1.590 0 50 CDAA CCN(CC(F)(F)F)C(=O)N[C@H](C)c1n[nH]c(=N)s1 584892239 DCKKMRUIMIOUEX-RXMQYKEDSA-N 297.306 1.605 0 50 CDAA C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1cnnn1C 585134842 LVTGDIZJMGHJQX-GXTWGEPZSA-N 289.383 1.896 0 50 CDAA CC(=O)N[C@H](C)Cc1nc(C)nn1-c1ccncc1 821477564 CWKVKFSPSRTWGM-SECBINFHSA-N 259.313 1.038 0 50 CDAA Cc1cc(CN(C)C(=O)CCCc2cn[nH]c2)no1 584894580 CJUSXSNBPDCSPB-UHFFFAOYSA-N 262.313 1.687 0 50 CDAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)CCCn1cncn1)C2 670457256 WPCMSJMTVYYSRA-KBPBESRZSA-N 291.399 1.001 0 50 CDAA COc1ccc(OC)c([C@H]2CCN(CC(=O)O)C2)c1 67908114 DWDTXARLXQQCSP-JTQLQIEISA-N 265.309 1.578 0 50 CDAA CCCCN1CCN(C(=O)[C@@H](CC)N(C)CC)CC1 952969418 NESNQMMAKWNUND-CQSZACIVSA-N 269.433 1.661 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C2CCC2)C1 958528750 UGABYRSCXBBBBQ-BXUZGUMPSA-N 270.373 1.486 0 50 CDAA O=C(c1ccc(C(F)F)o1)N1CC[C@H](c2nn[nH]n2)C1 1548761837 IKDPWQVFNKYXPU-LURJTMIESA-N 283.238 1.360 0 50 CDAA CCn1cc(S(=O)(=O)NC2(C)CCOCC2)nc1C 408065374 YWSNQTCXLDMLLC-UHFFFAOYSA-N 287.385 1.059 0 50 CDAA CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 91691667 ZBTITCHCBAHVAM-ZJUUUORDSA-N 273.329 1.479 0 50 CDAA in-vitro C[C@@H]1C[C@@H](NC[C@@H](n2cncn2)C(F)(F)F)CCO1 631211102 QTSYKAWUGTYRAC-KXUCPTDWSA-N 278.278 1.539 0 50 CDAA O[C@@H]1CN(c2ccnc(C3CC3)n2)C[C@H]1Oc1ccccc1 631421753 PCYPNIRTHCLXTK-HUUCEWRRSA-N 297.358 1.983 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)c2ccnnc2)C12CCOCC2 186462937 JGFYNUDXBFRLQK-QWHCGFSZSA-N 291.351 1.181 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC[C@@H]1O 186749682 NZTNIJWJOAEUKR-QKCSRTOESA-N 288.347 1.342 0 50 CDAA C[S@@](=O)CCNC(=O)c1ccc2nc(S)oc2c1 170642131 UIGJMDYIFYRMJI-GOSISDBHSA-N 284.362 1.225 0 50 CDAA CC(C)(C)SCCOC(=O)CCn1ccnn1 170609472 GETLZKIEGLHYCZ-UHFFFAOYSA-N 257.359 1.743 0 50 CDAA O=C(Cc1n[nH]c2ccccc12)N1CC(=O)N(CC2CC2)C1 279410115 JKMAJZPELZTCOO-UHFFFAOYSA-N 298.346 1.144 0 50 CDAA CC(C)C1(CNC(=O)N2C[C@@H](C)[C@H](CO)C2)CC1 189503387 MGYXXZXOQLCMDH-NEPJUHHUSA-N 254.374 1.692 0 50 CDAA Cc1nc(CN2CCNC(=O)[C@@H]2CC(C)C)oc1C 189819895 PUGDNQKILWBIJQ-LBPRGKRZSA-N 265.357 1.638 0 50 CDAA COc1ccc2c(c1NS(=O)(=O)c1ncc[nH]1)CCC2 641686178 OQOAUNZGDAAMNV-UHFFFAOYSA-N 293.348 1.708 0 50 CDAA C[C@@H](N)CC(=O)N1CCC[C@@H](OCC(F)(F)F)C1 645631249 LMIIWLRJROTAPM-RKDXNWHRSA-N 268.279 1.294 0 50 CDAA COc1ccc(C(=O)N2CCNC[C@H]2C(F)F)c(O)c1 578988515 ZWAUPPRNIZDDGN-JTQLQIEISA-N 286.278 1.080 0 50 CDAA CCc1nn(C)cc1CN1CCC[C@@H](CC(N)=O)CC1 671469422 JUFYBIVRPDZLLM-GFCCVEGCSA-N 278.400 1.460 0 50 CDAA C[C@H]1C[C@H](C(=O)NCCNC(N)=O)CC(C)(C)C1 584908478 PODGGHGLEYOBGG-UWVGGRQHSA-N 255.362 1.233 0 50 CDAA c1c[nH]c2nc(=N[C@H]3CCCC34OCCO4)ccc-2n1 585117931 CYJQZPGOYCUJRB-NSHDSACASA-N 272.308 1.106 0 50 CDAA COc1cccc([C@H](NC(=O)[C@H]2CCCCO2)C(=O)O)c1 659173577 CTVIFDADUDCCSL-OLZOCXBDSA-N 293.319 1.506 0 50 CDAA Cc1nc(N2C[C@H]3CNC[C@@]3(CO)C2)ccc1Cl 1165283706 KAMZGNHCTSXCMH-MFKMUULPSA-N 267.760 1.062 0 50 CDAA COC1([C@@H](C)NC(=O)c2ccc(N(C)C)nn2)CCC1 1615049153 BPONUSRDQLKWID-SNVBAGLBSA-N 278.356 1.230 0 50 CDAA CCn1cc(CNC(=O)[C@@H]2NCC[C@H]3CCCC[C@@H]32)nn1 1615551557 CMZOEKYYRJKCNN-KWCYVHTRSA-N 291.399 1.083 0 50 CDAA O=C(CCCN1C(=O)CCC1=O)Nc1ccccc1F 2866822 VXAPHESDQSXXGU-UHFFFAOYSA-N 278.283 1.693 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2ccc(Br)cc2)N1 6658228 PWFFUKWNBNUEQB-VIFPVBQESA-N 283.125 1.666 0 50 CDAA in-vitro COCCOC1CN(C(=O)C(C)(C)c2cccnc2)C1 332491011 XWDHQBRIICOUQO-UHFFFAOYSA-N 278.352 1.233 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1CCC(N)CC1 236756548 GTOUGXMYGWJVRC-UHFFFAOYSA-N 262.357 1.465 0 50 CDAA N[C@@H]1CCCC[C@H]1NC(=O)c1cnn2ccccc12 226225896 NTXPYIVLGCUMRP-VXGBXAGGSA-N 258.325 1.334 0 50 CDAA CC(C)(C)OC(=O)N1CCc2c(nc[nH]c2=O)C1 31776893 UHNCQJLEINZUNT-UHFFFAOYSA-N 251.286 1.063 0 50 CDAA in-vitro CCCNC(=S)NC(=N)N1CCc2ccccc2C1 1848442840 LHPLAESVWHGECV-UHFFFAOYSA-N 276.409 1.854 0 50 CDAA Cc1cc(C)nc(CNC(=O)c2ccc(O)c(F)c2)n1 1772710586 YDWLATRVZFNWIY-UHFFFAOYSA-N 275.283 1.868 0 50 CDAA NS(=O)(=O)c1ccc2c(N=O)c(O)ccc2c1 5002614 YYLHIQMUORIISP-UHFFFAOYSA-N 252.251 1.591 0 50 CDAA Cc1nc(CCNc2nncc(-c3ccccc3C)n2)n[nH]1 12302570 HMPXDEDIGAYVLA-UHFFFAOYSA-N 295.350 1.928 0 50 CDAA CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C)C1 13322633 IVFRVIUMRUVYCA-MRVPVSSYSA-N 290.414 1.007 0 50 CDAA CCn1nc(C(=O)NC)c2c1CC[C@H](NCC(C)C)C2 14538978 VODKPHKQNVTKPF-NSHDSACASA-N 278.400 1.366 0 50 CDAA CSc1ccccc1NC(=O)CCN(C)Cc1cc(Br)ccc1F 160206797 XQHKQAJGINBHPC-SNVBAGLBSA-N 411.340 4.771 0 50 CDAA O=c1oc2cc(OCc3nn[nH]n3)ccc2c2c1CCCC2 4294716 FMXFYVMITHQAPD-UHFFFAOYSA-N 298.302 1.764 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)CC=Cc2ccccc2F)C1 1857531898 SMEWLXAURGKYIB-UONOGXRCSA-N 293.338 1.837 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)c1onc2ncccc12 1857694420 BFPOEQGGVGPAIN-UHFFFAOYSA-N 299.334 1.925 0 50 CDAA Cc1ccc2ncnc(N3C[C@H]4CCN(C)C(=O)[C@H]4C3)c2n1 1857701218 HPKOTDNLDGPKCK-NEPJUHHUSA-N 297.362 1.248 0 50 CDAA NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 16697509 AJMWIWWTWGDVSH-LBPRGKRZSA-N 262.309 1.663 0 50 CDAA in-vitro Cc1cnc(C2=N[C@@](C)(C(C)C)C(=O)N2)c(C(=O)O)c1 6069851 PVSGXWMWNRGTKE-AWEZNQCLSA-N 275.308 1.379 0 50 CDAA in-vitro COc1cccc(CN2CCC(C(N)=O)CC2)c1OC 6458197 XUUYBTUFJSRVEZ-UHFFFAOYSA-N 278.352 1.401 0 50 CDAA CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C)C(=O)C1 154633582 WEWRSEZERJLYGD-CQSZACIVSA-N 289.379 1.491 0 50 CDAA C[C@H](NS(=O)(=O)c1cccc2c1OCC2)c1cc[nH]n1 583651466 STBZSRNROJCJGK-VIFPVBQESA-N 293.348 1.384 0 50 CDAA COC(=O)C[C@@H](NC(=O)c1cccn1C)c1ccncc1 584908835 BUXOJFCVKGAZOY-GFCCVEGCSA-N 287.319 1.454 0 50 CDAA C[C@H](NC(=O)c1cc(C(C)(C)C)on1)[C@H](C)C(=O)O 263420776 IUCXMJOLINPBAZ-YUMQZZPRSA-N 268.313 1.811 0 50 CDAA CC(C)OC(=O)CSc1nnnn1-c1ccccc1 5051103 XLXYSCBFQHYKGT-UHFFFAOYSA-N 278.337 1.706 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccc(Cl)cc1F)C2 1704330882 LQPJUWXRNAQMRP-PWSUYJOCSA-N 298.745 1.426 0 50 CDAA CCOc1ccc(/C=C/c2nn(C)c(=O)n2C)cc1 906198463 AYVACZKGUNFFLK-JXMROGBWSA-N 259.309 1.688 0 50 CDAA CN1C[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4n3)[C@@H]2C1 911302578 RBSBCEMHCMCBNH-XHDPSFHLSA-N 284.363 1.729 0 50 CDAA COC1(c2ccnn2C)CN(c2ccc3nccnc3n2)C1 952994559 XEVIMOLAAIBQKG-UHFFFAOYSA-N 296.334 1.120 0 50 CDAA C[C@@H]1[C@H](N=c2c(F)c[nH]cc2Cl)CCS1(=O)=O 1875286795 GMSUNCJNIXUKDG-HZGVNTEJSA-N 278.736 1.284 0 50 CDAA O=C(Nc1ccc2c(c1)C[C@H](O)C2)c1ncccc1O 1875265464 BDDMLRWELMMGDK-GFCCVEGCSA-N 270.288 1.499 0 50 CDAA O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 1875304271 FVBPJWTUHSUDIX-SJXJDRKQSA-N 279.336 1.410 0 50 CDAA COc1ccc(OC[C@@H]2C[N@@]2CC2CC2)c(C(N)=O)c1 1875381148 LMZWPWIMLWICAE-APPDUMDISA-N 276.336 1.267 0 50 CDAA Cc1nnc(CC(=O)N2COCC[C@@H]2c2ccccc2)o1 888194184 GGKKRAXKCXHDFG-CYBMUJFWSA-N 287.319 1.868 0 50 CDAA C=CC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 888102398 VDULOXNEHDSZCQ-JTQLQIEISA-N 260.293 1.103 0 50 CDAA O=C(c1cc2c(s1)CCOC2)N1CC[C@H]1CO 889138254 KQEZVVZWRXOVIL-VIFPVBQESA-N 253.323 1.028 0 50 CDAA Cc1cccc(C)c1Cn1cnc(C(=O)NCCO)c1 1775994005 ZPVQBGXCKWKYNO-UHFFFAOYSA-N 273.336 1.270 0 50 CDAA CCCN(C)C(=O)N[C@H](c1ccccc1)[C@@](C)(O)C(=O)O 1775990889 BHWXZYYZYFZQJG-IUODEOHRSA-N 294.351 1.615 0 50 CDAA N=c1cc(C(=O)N2CCC3(CC2)CC3(F)F)cc[nH]1 405122029 XBJOBGIMQJLRAC-UHFFFAOYSA-N 267.279 1.756 0 50 CDAA N=c1nc(N2CC3(CCCO3)C2)c2c([nH]1)CCCC2 624544111 CNMOMULBRHFPEI-UHFFFAOYSA-N 260.341 1.137 0 50 CDAA C[C@@H](C(=O)NC1CCCC1)N(C)CC1(C)COC1 625788366 PLHDIXBTRMSAHZ-NSHDSACASA-N 254.374 1.402 0 50 CDAA C[C@H](c1cccnc1)N(C)C(=O)CCc1cn[nH]c1 629950003 RRDQNNZAPQDHRP-LLVKDONJSA-N 258.325 1.957 0 50 CDAA O=C(CCc1ccc(F)c(F)c1)N[C@H]1CCOC[C@@H]1O 706689374 TYDHZRVWLNYPSG-STQMWFEESA-N 285.290 1.163 0 50 CDAA CN(C(=O)c1ccc(O)c(Cl)c1)[C@H]1C[C@@H](C(=O)O)C1 693040331 DEDIFPZEVNPRRM-DTORHVGOSA-N 283.711 1.981 0 50 CDAA COc1ccc(S(=O)(=O)NCCc2ccncc2)cc1 56387 OLMVLVHUOPQYGM-UHFFFAOYSA-N 292.360 1.611 0 50 CDAA O=C(c1ccc2c(c1)CCO2)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100480292 CQMWLRDEPWBMDE-UWEBFBLFSA-N 287.359 1.997 0 50 CDAA CCN(CC)C(=O)COC(=O)c1ccc(O)cc1 16848204 HTAGMOFPOLPIOR-UHFFFAOYSA-N 251.282 1.417 0 50 CDAA CO[C@H](C(=O)N1CCC[C@H](N)[C@@H]1C)c1ccccc1 381520479 XIJCYQGPGMOIJT-UBHSHLNASA-N 262.353 1.712 0 50 CDAA O[C@H]1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2C[C@@H]1O 670471481 PCJSNXQXHWRWOD-RNJOBUHISA-N 253.367 1.312 0 50 CDAA CCN1C[C@H](C(=O)N[C@@H]2CC23CC(C)(C)C3)CCC1=O 2325783982 QLMMAMQSWMHXPR-VXGBXAGGSA-N 278.396 1.940 0 50 CDAA Cc1cc(O)cc(NC(=O)c2cc(C3CNC3)no2)c1 2325801048 SGRNMEDSPZJDNR-UHFFFAOYSA-N 273.292 1.628 0 50 CDAA O=C(O)[C@H]1C[C@H]1c1cn(C[C@H](O)c2ccccc2)nn1 2325806861 LKKNRXMRKUDXMD-MDZLAQPJSA-N 273.292 1.200 0 50 CDAA O[C@@H]1CCOC[C@H]1Nc1cc(Cl)nc([C@H]2CCCO2)n1 884572681 SYPIPECXQWVROQ-OPRDCNLKSA-N 299.758 1.543 0 50 CDAA CCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 141302 CXYJAGBKQFSQFP-JTQLQIEISA-N 250.323 1.626 0 50 CDAA O=Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 264137 MENDVZRTWVWJCK-CYBMUJFWSA-N 286.331 1.749 0 50 CDAA O=C(O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 289460 KOVZEKMVDOCSHP-SECBINFHSA-N 275.260 1.160 0 50 CDAA O=C1c2cccnc2C(=O)N1c1ccc(Cl)cn1 802324 KMCPPCRGDWRYCJ-UHFFFAOYSA-N 259.652 1.931 0 50 CDAA CS(=O)(=O)Nc1ccc(-c2ccc(CCN)cc2)cn1 2356135696 PBYWXPBUTKVUED-UHFFFAOYSA-N 291.376 1.621 0 50 CDAA CN=c1cc(C)nc(-c2cc3c(cc2OC)OCO3)[nH]1 2356148492 AQYRBYFXDWFICJ-UHFFFAOYSA-N 273.292 1.653 0 50 CDAA O=C(C1CCN(Cc2ccccc2)CC1)N1CCOCC1 6675363 RPXBDXBQFCDKEM-UHFFFAOYSA-N 288.391 1.757 0 50 CDAA CCS(=O)(=O)N1[C@H](C(=O)OC)C[C@H]2CCCC[C@H]21 245387132 UOLOWOIUSQCNRN-MXWKQRLJSA-N 275.370 1.142 0 50 CDAA CCOc1cccc(CNCCCN2CCOCC2)c1 20018627 HTGRSXHZUZLKEG-UHFFFAOYSA-N 278.396 1.897 0 50 CDAA CC(C)(C)CN1CCN(Cc2cc[nH]n2)C[C@H]1CCO 104305040 STIIZHREYPQGQT-CQSZACIVSA-N 280.416 1.324 0 50 CDAA Cc1cc([C@H]2CCCN2C(=O)CCCn2cncn2)no1 54709258 CBZJVHGYXCVOAN-CYBMUJFWSA-N 289.339 1.718 0 50 CDAA COC(=O)CCS[C@H]1CC(=O)N(c2ccccc2)C1=O 101294874 XSJMYEQRTUCNCG-NSHDSACASA-N 293.344 1.615 0 50 CDAA Cc1cc(=O)n2nc(SCCC(C)C)nc2[nH]1 100069517 YZTBSFACRSEPSZ-UHFFFAOYSA-N 252.343 1.864 0 50 CDAA CCC1=NO[C@@H](CNC(=O)c2cc(C)nc(C)n2)C1 65386435 NUPJRZSWCIPIMN-LLVKDONJSA-N 262.313 1.378 0 50 CDAA C[C@@H]1CCCN(C(=O)CCNCC(C)(C)CO)C1 65374411 GMOFLJHUCCBHJG-GFCCVEGCSA-N 256.390 1.243 0 50 CDAA Cc1cccc(-n2cc(CN3CCO[C@@H](CN)C3)cn2)c1 67855135 RKZLLXQUBBBGCN-INIZCTEOSA-N 286.379 1.340 0 50 CDAA CC1(C)[C@H](NC(=O)NCC2CCC2)[C@H]2CCO[C@H]21 408018189 YMWHHWZUXGNNSU-IJLUTSLNSA-N 252.358 1.899 0 50 CDAA O=C(NC[C@H]1CCCO1)Nc1cnn(CC(F)(F)F)c1 118891636 ZBPCKNQNMFHJBY-SECBINFHSA-N 292.261 1.746 0 50 CDAA O=C(O)c1cccc(N2C(=O)c3ccncc3C2=O)c1 71336615 PTDRRDIBIYOBER-UHFFFAOYSA-N 268.228 1.580 0 50 CDAA CCCS(=O)(=O)NC(=O)c1cncc(OC(C)C)c1 119632899 TWXQITSPZSLDNK-UHFFFAOYSA-N 286.353 1.338 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1C[C@H]1C(=O)O 331488949 IYUZUCYVRMHEDQ-KKOKHZNYSA-N 269.341 1.419 0 50 CDAA CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1 14360 KQKPFRSPSRPDEB-UHFFFAOYSA-N 295.408 1.321 0 50 CDAA biogenic,fda CC[C@]1(CO)CCCN(C(=O)Nc2nnc(C)s2)C1 63832204 JKIIBWHRXRRKKW-LBPRGKRZSA-N 284.385 1.863 0 50 CDAA C[C@@H](CN(C)C(=O)[C@@H](c1ccccc1)C1CC1)c1nnn[nH]1 124615240 MYXNWPUGGCKZHW-FZMZJTMJSA-N 299.378 1.955 0 50 CDAA NC(=O)Cn1c(CNC(=O)c2ccco2)nc2ccccc21 32497931 QGCWZQGCFYYOPI-UHFFFAOYSA-N 298.302 1.045 0 50 CDAA O=C([C@H]1CCCN1C1CC1)N1CC(OC(F)F)C1 427504454 KAHGUKQEIKJEIA-SNVBAGLBSA-N 260.284 1.063 0 50 CDAA O=C(O)C[C@@H]1CCCCN1C(=O)c1cc(CO)ccn1 217178289 WIRLTYODLAXRMX-NSHDSACASA-N 278.308 1.043 0 50 CDAA CNc1ncccc1C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 215491021 YASPPIIETBSXHV-NWDGAFQWSA-N 289.335 1.306 0 50 CDAA CCN(Cc1cn2c(n1)CCCC2)S(C)(=O)=O 328639799 XCVFPXBLLGMQNA-UHFFFAOYSA-N 257.359 1.001 0 50 CDAA C[C@@]1(NCC(=O)O)CCN(Cc2ccc(F)c(F)c2)C1 328607350 VUQJJGLFPJLYLS-CQSZACIVSA-N 284.306 1.603 0 50 CDAA CNCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71763551 WGMQZGHFNTZMBX-KBAYOESNSA-N 299.418 1.295 0 50 CDAA O=C(O)c1cccc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1 238086264 MLMNPSJPFYTJMF-QWHCGFSZSA-N 277.320 1.666 0 50 CDAA OC[C@@H]1COCCN1Cc1cnc(C2CCCCC2)nc1 216342959 ZGFQXDKKHHBRRF-OAHLLOKOSA-N 291.395 1.717 0 50 CDAA CC(C)CN1CC[C@@H](C(=O)NC[C@@H]2CCCCN2)C1 236785439 HDBRVQVYZMGVHZ-KGLIPLIRSA-N 267.417 1.223 0 50 CDAA COc1ccc(F)cc1C(=O)N1CC[C@@H](C(=O)O)C1 237168696 WTEWMAIMWXWXDZ-MRVPVSSYSA-N 267.256 1.381 0 50 CDAA CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C)cs1 333929080 XZKGBUIWJXJJHO-ZJUUUORDSA-N 275.395 1.902 0 50 CDAA Cc1noc([C@@H](C)NC(=O)c2ccncc2Cl)n1 73057799 UIEWWZQJRDEZBC-ZCFIWIBFSA-N 266.688 1.917 0 50 CDAA O=C(N[C@H]1CCNC1=O)c1ccc(N2CCCCC2)cc1 223644715 WPUKVFWAOPTFLJ-AWEZNQCLSA-N 287.363 1.295 0 50 CDAA Cn1cc(C(=O)Nc2nncs2)c(=O)c2ccccc21 41056878 BEGBBJRFIBLNBL-UHFFFAOYSA-N 286.316 1.642 0 50 CDAA Cc1ccc2nc(C)c(C(=O)N3CCn4cncc4C3)n2c1 426489372 MTLYMFJVZIASDQ-UHFFFAOYSA-N 295.346 1.804 0 50 CDAA COc1ccc(-c2nc(C(=O)N(C)C)n[nH]2)c(OC)c1 426658529 SQMVTJQJXBQZPV-UHFFFAOYSA-N 276.296 1.191 0 50 CDAA Cc1c(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)ccn1C 426389677 MTVQACZIRGXSKJ-LLVKDONJSA-N 273.340 1.471 0 50 CDAA COC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CCO1 528653979 ONHZLJWMVXVLIS-RWMBFGLXSA-N 281.377 1.725 0 50 CDAA CCOC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1 225689498 QFKXCSJAIPUGDL-UHFFFAOYSA-N 259.302 1.487 0 50 CDAA Cc1nn(C)c2nc(N3CCC[C@@](O)(CO)CC3)sc12 96136522 MVBZTWHFLXZNAK-ZDUSSCGKSA-N 296.396 1.052 0 50 CDAA O=C1NCCCc2[nH]c(CCc3ccncc3)nc21 95382543 JJCMZWVCWJRIQN-UHFFFAOYSA-N 256.309 1.266 0 50 CDAA O[C@@]1(CNc2ncnc3cc(F)c(F)cc23)CCOC1 178961852 RMLKKPDEGGJTSE-CYBMUJFWSA-N 281.262 1.471 0 50 CDAA COc1ccnc(Cn2ccc3ncccc3c2=O)c1OC 95374869 SZRBMOBWBDWZDR-UHFFFAOYSA-N 297.314 1.857 0 50 CDAA CCCc1nnc(N2CCC[C@H](N(C)C)CC2)o1 95383595 FCUOJITZKYEBKB-NSHDSACASA-N 252.362 1.943 0 50 CDAA COCC[C@@]1(CO)CCCN(c2cc(COC)ncn2)C1 91364826 PVKKHTKZDBDGRQ-HNNXBMFYSA-N 295.383 1.238 0 50 CDAA CC1(C)C(=O)NCCN1C(=O)c1c[nH]c(C(F)(F)F)c1 292779973 LZCPSYHUJGIWQX-UHFFFAOYSA-N 289.257 1.384 0 50 CDAA O=C(Cn1ccccc1=O)NC[C@H]1COc2ccccc2C1 91985580 MCFGAGVBSIMDDZ-ZDUSSCGKSA-N 298.342 1.216 0 50 CDAA COCC1(CNS(=O)(=O)Cc2ccccc2)CCC1 337213407 WHSTZPBBFSJXSO-UHFFFAOYSA-N 283.393 1.923 0 50 CDAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)CO)c1 91876754 IISZTMINXODXMK-OAHLLOKOSA-N 299.374 1.975 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)NCc1cc(C(=O)O)c(C)o1 299751901 SGHOHVHAWXBLAG-GHMZBOCLSA-N 267.281 1.327 0 50 CDAA C[C@H]1C[C@@H](C)CN(CCN[C@@H]2CCO[C@H]2c2cc[nH]n2)C1 625587570 GWNCSKGSCCZEOO-HLPPOEQASA-N 292.427 1.807 0 50 CDAA COCc1n[nH]c(NC(=O)CCn2c(C)ccc2C)n1 253414486 XPYLGSYCUQWWRS-UHFFFAOYSA-N 277.328 1.398 0 50 CDAA COc1c[nH]c(C(=O)N2CCc3ccccc3C2)cc1=O 604418619 LBKCEVVAIXOGET-UHFFFAOYSA-N 284.315 1.582 0 50 CDAA N=c1[nH]c(CCC(=O)NCCCOC2CCCC2)cs1 534588327 SVNRVJKJFKSNSM-UHFFFAOYSA-N 297.424 1.954 0 50 CDAA COC(=O)CNC(=O)[C@@H](CCSC)n1cccc1 263585484 JEOHNYFQJHQPLX-SNVBAGLBSA-N 270.354 1.072 0 50 CDAA biogenic COc1cccc([C@H](C)C(=O)N[C@H](CO)C(F)(F)F)c1 1364388651 CQOJHHHEDZGAPE-GZMMTYOYSA-N 291.269 1.838 0 50 CDAA c1ccc2oc(N[C@H]3COC[C@@H]3N3CCOCC3)nc2c1 534583462 IJXHFBSXKPMQKR-STQMWFEESA-N 289.335 1.339 0 50 CDAA COCCN(Cc1nnc(C)s1)C[C@H]1CCCO1 299778855 IBDNGWGNVOITEQ-LLVKDONJSA-N 271.386 1.474 0 50 CDAA Nc1nc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)cs1 299767463 HMQHORFTAIBJAO-JTQLQIEISA-N 294.424 1.720 0 50 CDAA COc1ccc(C(=O)NCCc2cscn2)o1 299763487 XCJDQGUCQJWMHY-UHFFFAOYSA-N 252.295 1.717 0 50 CDAA Cc1nc(N)sc1C(=O)N[C@H](C)c1nc(C2CC2)no1 299786611 WRSACRFSAMVTIK-ZCFIWIBFSA-N 293.352 1.785 0 50 CDAA CC(C)(C)OC(=O)NCc1cn([C@H]2CCCNC2)nn1 299805454 OWIKJTPGPPMAEM-NSHDSACASA-N 281.360 1.227 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)c1cncc(F)c1 584896213 DRPKOLIBWDVKNG-SECBINFHSA-N 277.303 1.713 0 50 CDAA COCc1nc(CCCN2CCCC2=O)n(C(C)(C)C)n1 824490834 SUUXBVZFXUADGI-UHFFFAOYSA-N 294.399 1.735 0 50 CDAA O=C(NCCCN1CCCC[C@@H]1CO)c1ccoc1 584892386 XBODIXDHPXSFDN-CYBMUJFWSA-N 266.341 1.246 0 50 CDAA Cc1nn(CCC(=O)NCc2csc(N)n2)c(C)c1C 670462622 PVIHUTBETPZCHK-UHFFFAOYSA-N 293.396 1.554 0 50 CDAA COc1ccccc1OCc1ncnn1CC(C)(C)O 670449216 YGOSGEMSVLFBEZ-UHFFFAOYSA-N 277.324 1.637 0 50 CDAA CNC(=O)C1(C(=O)Nc2ccc3nc(S)oc3c2)CC1 163580718 HFORROMREPFWNO-UHFFFAOYSA-N 291.332 1.581 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)/C=C/c1ccccc1 1565530005 KTMOLKVRVALIPM-SWICKSTGSA-N 261.321 1.620 0 50 CDAA C[C@H](N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 168519611 MCROZEKQFHBRJV-DZKIICNBSA-N 289.423 1.703 0 50 CDAA COc1ccc(F)cc1CN1CC([C@@H](C)C(=O)O)C1 165802810 YRGQFABWJLFOOO-SECBINFHSA-N 267.300 1.987 0 50 CDAA CC[C@@H](CSC)NC(=O)c1c[nH]nc1[C@@H]1CCOC1 276354666 RKJLMGQKJVAPSM-ZJUUUORDSA-N 283.397 1.785 0 50 CDAA Cc1cnc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cn1 219785404 OYMXVKPPEWFHIB-DRZSPHRISA-N 289.335 1.643 0 50 CDAA CCOC(=O)[C@@H](C)NC1CCN(Cc2ccncc2)CC1 169987008 ZXTCQBKVRSKABJ-CYBMUJFWSA-N 291.395 1.587 0 50 CDAA O=C(CN1C(=O)CCc2ccccc21)O[C@@H]1CCOC1 170625368 WVUVFLYXTRVYLK-GFCCVEGCSA-N 275.304 1.298 0 50 CDAA CCN(CC)CCNC(=O)c1ccc(O)cc1OC 669385241 RVGJOUIYFPVZIJ-UHFFFAOYSA-N 266.341 1.472 0 50 CDAA COc1ccc(C2=C3[C@@H](C=CS3(=O)=O)ON2)cc1F 669372431 SBLCIGHOTIJCOF-SNVBAGLBSA-N 283.280 1.348 0 50 CDAA COC(=O)[C@@H]1CCN(C(=O)c2ccncc2)C[C@H]1C 187897382 AYTJWFPNYOLDMX-ZYHUDNBSSA-N 262.309 1.353 0 50 CDAA Cc1nn(C)c(C)c1CCNC(=O)[C@H]1CCCO[C@H]1C 188504201 NZUUEUIKXZUNDY-JSGCOSHPSA-N 279.384 1.511 0 50 CDAA CCc1nc(=NCCCOc2ncccn2)s[nH]1 585092484 ZSSJOVOTKCLQDT-UHFFFAOYSA-N 265.342 1.193 0 50 CDAA Cc1c(NC(=O)c2occ3c2CCOC3)cnn1C 585081841 KOMBIQGWEMMVIX-UHFFFAOYSA-N 261.281 1.647 0 50 CDAA CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](O)CC(C)(C)C2)CCN1C 585131466 WXWAJKNRJJKRAQ-HZSPNIEDSA-N 282.428 1.726 0 50 CDAA Cc1ncsc1CN(C)c1nc(N)c2cnn(C)c2n1 195264003 SHNSTTPJGQDBRT-UHFFFAOYSA-N 289.368 1.347 0 50 CDAA Cc1nc(CCCC(=O)Nc2cnn[nH]2)cs1 789928490 ZQTBYPSWEYIILI-UHFFFAOYSA-N 251.315 1.531 0 50 CDAA c1ccc(Sc2cncc(N3CCOCC3)n2)nc1 1615627249 BQBBUZBBEOPVQS-UHFFFAOYSA-N 274.349 1.859 0 50 CDAA O=C1NCCCC[C@H]1NCc1cccn1C(F)F 1616032506 ULTBUTBESWVBNW-SNVBAGLBSA-N 257.284 1.642 0 50 CDAA CNC(=O)CN1CCC(N[C@H]2CC[C@H]3CC[C@H]2C3)CC1 1616037172 GVGKZOKCXQHJRO-IPYPFGDCSA-N 279.428 1.365 0 50 CDAA CCn1nccc1CN=c1[nH]c(Cl)nc2[nH]ccc12 1875275128 CHDYXNPTTYMUDF-UHFFFAOYSA-N 276.731 1.862 0 50 CDAA C[C@]1(C(=O)NCc2cscc2Cl)CNCCO1 1548449092 WGWHXUJKXWMVSD-LLVKDONJSA-N 274.773 1.396 0 50 CDAA CO[C@@H](C(=O)Nc1cn(-c2ccccc2)nn1)C1CC1 1646662453 SNGXFEAVVHFURX-CYBMUJFWSA-N 272.308 1.631 0 50 CDAA Cc1nncn1CCN1CCCN(C2CCCCC2)CC1 1506428177 XXRRFRSFWRSKSU-UHFFFAOYSA-N 291.443 1.927 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)NCCCn1nc(C)nc1C 1506417867 BZBDRSYINDTKML-NSHDSACASA-N 295.431 1.568 0 50 CDAA CC(=O)NC(C)(C)C[C@@H](C)NCCc1nc(C)cc(C)n1 1506417787 BSKMJHBAFKZUFP-CYBMUJFWSA-N 292.427 1.919 0 50 CDAA Cc1nc(C)c(CN2C(=O)C[C@H]3NCC[C@H]32)s1 1857689441 DIKHWKVJFCVYDQ-NXEZZACHSA-N 251.355 1.223 0 50 CDAA Cc1nsnc1C(=O)N1CCC[C@]2(CCOC2)C1 1857693363 TWAMHTJDLSRFFG-LBPRGKRZSA-N 267.354 1.489 0 50 CDAA O[C@H]1CNCC[C@@H]1CNCc1c(F)cccc1Cl 215579023 FVHCIGDKNSNFRC-RNCFNFMXSA-N 272.751 1.539 0 50 CDAA N=c1cc(N)nc(SC[C@@H]2CCC(F)(F)C2)[nH]1 382270478 XKVYSIBTSBTZFV-ZCFIWIBFSA-N 260.313 1.999 0 50 CDAA Cc1cc(CC(=O)N[C@H]2CCCN3CCC[C@@H]23)on1 1772812487 KCEFDYBESHDWEV-STQMWFEESA-N 263.341 1.269 0 50 CDAA NC(=O)c1ccc(N2CCC[C@]3(CCc4c[nH]nc43)C2)nc1 1775982399 OVRPPBHMYSOKEU-INIZCTEOSA-N 297.362 1.388 0 50 CDAA C=CC(=O)Nc1ccc(N2CCOCC2)cc1C(C)=O 1772718325 PSOXMFISNIKLNR-UHFFFAOYSA-N 274.320 1.850 0 50 CDAA Cc1nn(C)c2sc(C(=O)N3CC[C@H](N)C3)cc12 237860234 SOUJJCALHZEUMF-QMMMGPOBSA-N 264.354 1.116 0 50 CDAA CN1CCC(N2CCC[C@H](C(=O)N3CCCC3)C2)CC1 14951820 SZCUNGREJZRXQL-AWEZNQCLSA-N 279.428 1.415 0 50 CDAA O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)n2ncnc2N1 17995827 NWBLLQJYTIBDGU-VIFPVBQESA-N 291.698 1.454 0 50 CDAA CS(=O)(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1 19913634 XFBRKHIIDPAGGA-UHFFFAOYSA-N 293.392 1.245 0 50 CDAA CN(C)CCNC(=O)Cn1nc(C(F)F)cc1C1CC1 4124608 ZBOGXKHLZDTILF-UHFFFAOYSA-N 286.326 1.376 0 50 CDAA Cn1nc(C(=O)O)nc1N1CCc2sccc2C1 1857674804 YTIRGJYDOACXJC-UHFFFAOYSA-N 264.310 1.138 0 50 CDAA N=c1[nH]nc(N2CCC([C@@H](O)c3ccccn3)CC2)s1 1857682356 NYNUJKKAVHASPC-LLVKDONJSA-N 291.380 1.296 0 50 CDAA Cc1[nH]c(=N)[nH]c1C(=O)N[C@@H](C)c1cc(F)cc(F)c1 1857684457 OPZCIAMVQLFKNK-LURJTMIESA-N 280.278 1.900 0 50 CDAA CN(CCc1cn[nH]c1)[C@H]1CCOC2(CCNCC2)C1 1857697451 VQYBMJAEHDYREP-AWEZNQCLSA-N 278.400 1.185 0 50 CDAA O[C@@H]1Cc2ccccc2[C@@H]1n1ccnc1-c1cnc[nH]1 1875250811 JJCBSDBHNCZGOQ-KGLIPLIRSA-N 266.304 1.780 0 50 CDAA O=C(O)Cn1cc(Br)c(C(F)(F)F)n1 2537060 QQMGWXGYXKPKSH-UHFFFAOYSA-N 273.008 1.749 0 50 CDAA in-vitro Cc1ncc(C(=O)N[C@H]2CCc3ccccc3C2)c(N)n1 665396417 GWPDGAYVCIQQEO-ZDUSSCGKSA-N 282.347 1.655 0 50 CDAA NC[C@@H]1CC[C@@H](Nc2ncnc3c2ncn3C2CC2)C1 568236028 WPGHHYAFFANEOE-NXEZZACHSA-N 272.356 1.701 0 50 CDAA O=C(c1cc(C2CC2)[nH]n1)N1CCN[C@@H](c2ccncc2)C1 367082762 ANCMFJPKTUFJNF-OAHLLOKOSA-N 297.362 1.469 0 50 CDAA CC(C)CO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2N)C1 236637252 XZLKCXJEBZHBMP-UPJWGTAASA-N 254.374 1.387 0 50 CDAA C[C@@H]1CCN(c2cc(N)ncn2)C[C@@H]1n1ccnc1 1120824056 HMZNHAWBTSWGNS-MNOVXSKESA-N 258.329 1.343 0 50 CDAA C=CC(=O)N1CCC(c2nc(CC(=O)O)cs2)CC1 1857786891 KYTLQALBJDLHHO-UHFFFAOYSA-N 280.349 1.662 0 50 CDAA CCNc1ncc(C(=O)N[C@@H]2CCCN(CC)C2)s1 127222686 SVNLKUCUKYAFNV-SNVBAGLBSA-N 282.413 1.789 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCCF 863984676 YOABZOLBNNRAGP-KXUCPTDWSA-N 288.319 1.690 0 50 CDAA O=C([C@@H]1CSCCS1)N1CCC[C@@H](c2ncon2)C1 952877593 SHFDFZYBEQMHOL-ZJUUUORDSA-N 299.421 1.624 0 50 CDAA CN1C[C@@H](C(=O)Nc2c[nH]ccc2=O)[C@@H](C(F)(F)F)C1 952880130 BRSNONYTFKMKPW-SFYZADRCSA-N 289.257 1.054 0 50 CDAA O=S(=O)(C1[C@@H]2CCCC[C@@H]12)N1CCCc2n[nH]cc21 1875290498 MDZIMCMQHFBPQZ-NXEZZACHSA-N 281.381 1.681 0 50 CDAA CS(=O)(=O)NC(=O)C1CC(c2ccccc2)C1 1875390937 CWWCUNRTNQVEQV-UHFFFAOYSA-N 253.323 1.256 0 50 CDAA CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1ccc(C(=O)O)cc1 236952907 NZFMSDBNQRQWNI-STQMWFEESA-N 277.320 1.768 0 50 CDAA Cc1nc(CNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)n[nH]1 895496515 GMCZQBWSZPHXSW-CHWSQXEVSA-N 285.351 1.716 0 50 CDAA CCc1ncnc(N(C)C[C@@H](O)c2cccnc2)c1F 895935886 LIGXGELXVMXYRQ-GFCCVEGCSA-N 276.315 1.743 0 50 CDAA C[C@H]1C[C@H](CNc2cc3c(O)ncnc3cn2)CCO1 1775999537 SXIHGNAIAUCLIJ-VHSXEESVSA-N 274.324 1.957 0 50 CDAA O=C(c1cc(C2CC2)[nH]n1)N1CCOc2cccnc2C1 1776008196 OLKCKZJPLMRNIM-UHFFFAOYSA-N 284.319 1.717 0 50 CDAA Cn1cncc1CCNC(=O)c1ccc2c(c1)NC(=O)NC2 1776006213 OUWLSMTYBYRRKE-UHFFFAOYSA-N 299.334 1.028 0 50 CDAA Cc1ccc(C)c(OCC(=O)NC2(C(=O)O)CCC2)c1 164802349 KGVVNRHUPLRDLZ-UHFFFAOYSA-N 277.320 1.806 0 50 CDAA O=C1CC[C@@H](C(=O)NCCCOC2CCCCC2)CN1 47774629 JJTWOHPHNLILTO-GFCCVEGCSA-N 282.384 1.368 0 50 CDAA CN(C[C@H](O)CN1CC(O)=N[C@@H]2CCCC[C@H]21)C1CC1 328683363 WFEJAVKGZRAWCG-BFHYXJOUSA-N 281.400 1.025 0 50 CDAA CN1CCC[C@H](CCNC(=O)c2c[nH]c(=N)s2)C1 534659548 QSAFEEKARZSSGR-SECBINFHSA-N 268.386 1.017 0 50 CDAA CCCNC(=O)CN1CCC[C@H]1c1ccnn1C 928996645 ZZSWLIWHCXLTBT-LBPRGKRZSA-N 250.346 1.083 0 50 CDAA COc1ccc([C@@H]2[C@@H](CO)OCCN2C)cc1OC 1529172718 HHYYKZAKCIXPKQ-ZIAGYGMSSA-N 267.325 1.068 0 50 CDAA c1ccc2oc(Sc3nnnn3[C@H]3CCOC3)nc2c1 2325767459 ZDSPABGMEUQXGU-QMMMGPOBSA-N 289.320 1.927 0 50 CDAA Cc1nn(C)cc1CCC(=O)N1CCNCCC12CC2 2325788035 IRTHNNFIZUZAHB-UHFFFAOYSA-N 276.384 1.016 0 50 CDAA Cc1ccc(-n2c(O)nc(C)c(Br)c2=O)cn1 2325899765 VTKLQOITBCFMJB-UHFFFAOYSA-N 296.124 1.712 0 50 CDAA O=C(O)CCOc1ccc(OCCC(=O)O)cc1 71772808 JWUFQAFAHGWDCJ-UHFFFAOYSA-N 254.238 1.394 0 50 CDAA O=C(O)Cn1cnc2sc3c(c2c1=O)CCCC3 143679 ZJVVYGRQUQXPDQ-UHFFFAOYSA-N 264.306 1.421 0 50 CDAA CCOC(=O)N1C[C@@H](C)N(C(=O)OCC)C[C@H]1C 214532 SWGPJPNOQKWDKT-NXEZZACHSA-N 258.318 1.694 0 50 CDAA O=C(N[C@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1 280909 KUUUDPTUEOKITK-CQSZACIVSA-N 285.299 1.818 0 50 CDAA CC(=O)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 302383 QFJIQRJGSMLNDF-APPZFPTMSA-N 250.220 1.646 0 50 CDAA NC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1 409044 FVTAMHOVVIJELX-UHFFFAOYSA-N 262.096 1.600 0 50 CDAA Cn1nnc2c([nH]c3ccc(Br)cc32)c1=O 826594 UXJQPZPZRBYXFK-UHFFFAOYSA-N 279.097 1.572 0 50 CDAA O=c1ccccn1CC1(c2ccccc2)OCCO1 1583278 KEBYOTLURWJPDX-UHFFFAOYSA-N 257.289 1.748 0 50 CDAA COc1cc(Br)c(-c2nnn[nH]2)cc1OC 4745341 PFQZVALNNMXLJF-UHFFFAOYSA-N 285.101 1.646 0 50 CDAA O=C(O)C[C@@H](C(=O)NC1CCCCC1)[C@@H]1CCCO1 6492876 KRMTXYZCTHHDLR-NEPJUHHUSA-N 269.341 1.705 0 50 CDAA CCCOCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 224680570 IQDNEVASCZOIDU-WOPDTQHZSA-N 269.341 1.657 0 50 CDAA Cc1ccccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 225196064 RRVNDWGCTODPDC-KBPBESRZSA-N 274.364 1.588 0 50 CDAA Cc1nnc(SCCCNC(=O)[C@@H]2CCOC2)s1 55091037 HNSKYWWFGDLPNE-SECBINFHSA-N 287.410 1.481 0 50 CDAA CC(=O)Nc1ccn([C@@H]2CCN(C[C@H](O)C(C)C)C2)n1 225847618 SKOGHYBTNUHTDD-OLZOCXBDSA-N 280.372 1.105 0 50 CDAA COC(=O)[C@@H]1CCCN1CC(=O)N1[C@@H](C)CCC[C@H]1C 247854585 SXJDEXZUACSGKY-XQQFMLRXSA-N 282.384 1.413 0 50 CDAA C[C@H]1CN(CCOc2ccccc2C=O)C[C@H](C)O1 20652941 MEFQSSDZWAILIF-STQMWFEESA-N 263.337 1.987 0 50 CDAA CCCc1nc(C)cc(NCCc2nncn2C)n1 65396888 LDYYCFDLPCFCOZ-UHFFFAOYSA-N 260.345 1.521 0 50 CDAA O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCOC1 66920575 JVZXKNPDLBALEH-CYBMUJFWSA-N 271.320 1.906 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCCN3)O1 315464970 LFGCFWFXEWCYKV-OLZOCXBDSA-N 290.319 1.615 0 50 CDAA Cc1cc(C(F)F)n2ncc(C(=O)N3CCOCC3)c2n1 1003076 VRHKZWDGHGECRT-UHFFFAOYSA-N 296.277 1.448 0 50 CDAA Cc1ncc(CN2CCC[C@H]2c2nc(C(N)=O)no2)s1 328628215 GZKREFGZSVULHI-VIFPVBQESA-N 293.352 1.271 0 50 CDAA CN1CCN(C(=O)c2cncc(F)c2)C[C@H]1c1ncc[nH]1 328641392 XVMFHEKZTCDWMA-LBPRGKRZSA-N 289.314 1.073 0 50 CDAA CC(C)(C)N(CCS(C)(=O)=O)C(=O)C=C1CCC1 123369333 GHXAJSCMHLOZLJ-UHFFFAOYSA-N 273.398 1.768 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1cccc(CN2CCCC2)c1 124579571 IGHMFRILLQZTMV-CQSZACIVSA-N 287.407 1.716 0 50 CDAA Cc1nc(Cl)ccc1CC(=O)OCC(=O)N1CCCC1 253420624 SIQABTYCYPFETG-UHFFFAOYSA-N 296.754 1.752 0 50 CDAA CCCCc1nnc(SC[C@@H]2CCCC[C@H]2O)n1N 253424200 BOPNDUNXUVTQLM-WDEREUQCSA-N 284.429 1.978 0 50 CDAA C[C@H](O)[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1 332543496 LVGVNKLXJRMPPC-NHYWBVRUSA-N 286.331 1.457 0 50 CDAA C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCOC1 332840330 IVZUUZWSTCFBOX-MROQNXINSA-N 268.357 1.038 0 50 CDAA CCC1(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CCC1 174931136 IDRMPKUTEWNDGX-MFKMUULPSA-N 282.409 1.889 0 50 CDAA O=C(NC[C@@H]1CCCC1(F)F)N[C@H]1CCCOC1 333306080 CVLZIYSQXIZUEY-UWVGGRQHSA-N 262.300 1.900 0 50 CDAA Cc1noc(-c2ccc(N3CC[C@](F)(CO)C3)nc2)n1 367027719 STZCWQSNPBPSDX-CYBMUJFWSA-N 278.287 1.351 0 50 CDAA COc1ccnc(N2CC[C@@H](O)c3ccccc3C2)n1 375892743 VTZMTKQVGDOFDR-CYBMUJFWSA-N 271.320 1.929 0 50 CDAA Cc1ccc(N2CCN(C(=O)c3cc[nH]n3)CC2=O)cc1 376029513 OCMWNXDBOMELLF-UHFFFAOYSA-N 284.319 1.207 0 50 CDAA O=C(N[C@@H]1CCCn2ncnc21)C(F)(F)c1ccccn1 156319092 OEWPTXGPRJOMJH-SECBINFHSA-N 293.277 1.416 0 50 CDAA COCCCN(C)CCNC(=O)N1CCC[C@@H]1C1CC1 369790602 NCMRVSVOJLIYLC-CQSZACIVSA-N 283.416 1.539 0 50 CDAA CN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 35058308 YOLOLRZIROLLOD-UHFFFAOYSA-N 291.376 1.171 0 50 CDAA COCc1cc(C(=O)N2CCC[C@H](N)C2)ccc1F 157799925 PVLNXBIFYXVZRD-LBPRGKRZSA-N 266.316 1.535 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NC1(c2nccs2)CCCC1 262459083 XQLNCEWALBEEGP-RKDXNWHRSA-N 280.349 1.749 0 50 CDAA CN1CCC(c2nnc(CN3CCCCC3)n2C)CC1 77341298 STZSCNDWSZLMME-UHFFFAOYSA-N 277.416 1.610 0 50 CDAA COc1cc(CN2[C@@H](C)C[C@H](O)C[C@H]2C)sn1 521396513 ODRAUKOXYGCVIC-ILWJIGKKSA-N 256.371 1.885 0 50 CDAA O=C(O)CNC(=O)Cc1cccc(OC(F)(F)F)c1 263038985 DMGNYCJIOZSAFF-UHFFFAOYSA-N 277.198 1.329 0 50 CDAA Cc1nccn1CC(=O)Nc1cc(C(C)(C)C)nn1C 48087881 JDVDORRGJPQPLV-UHFFFAOYSA-N 275.356 1.861 0 50 CDAA Cc1ccsc1CN1CC2(C1)CN(C)C(=O)O2 496553426 TUYZSNDFSKDKCA-UHFFFAOYSA-N 252.339 1.693 0 50 CDAA Cc1cc(Br)cnc1N1CCOCC1 40448513 ACLZPQWHEFDNBU-UHFFFAOYSA-N 257.131 1.989 0 50 CDAA Cn1cccc1/C=C1\C(=O)NC(=O)c2ccccc21 44607935 BTYSIDSTHDDAJW-LCYFTJDESA-N 252.273 1.836 0 50 CDAA in-vitro COc1ncc(C(=O)N2CCOc3ccccc3C2)cn1 426434030 JSBFIXCGDBHTQQ-UHFFFAOYSA-N 285.303 1.520 0 50 CDAA CCO[C@H](C)C(=O)NCc1ccc(C(=O)N(C)C)o1 426477485 AQOBJHYDVGTQLG-SECBINFHSA-N 268.313 1.023 0 50 CDAA C[C@@H](Cn1cccn1)C(=O)N1CCC(c2ncon2)CC1 426701630 OTLCIIPHTDSKKH-NSHDSACASA-N 289.339 1.308 0 50 CDAA CC[C@H](Sc1nnc(CNC)n1C)C(=O)NC(C)(C)C 426613700 YIWRAHLYWHZEEI-VIFPVBQESA-N 299.444 1.320 0 50 CDAA C[C@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)C(=O)O 237477941 XLGLJZZCCCSORP-VIFPVBQESA-N 280.299 1.629 0 50 CDAA COCc1nsc(NC(=O)[C@](C)(OC)C2CC2)n1 291935384 OWDCWLSTIQWKBL-LLVKDONJSA-N 271.342 1.438 0 50 CDAA CC(C)=CC[C@@]1(CO)CCCN(CCC(N)=O)C1 91468899 FDZHWNLGUNISDN-AWEZNQCLSA-N 254.374 1.293 0 50 CDAA CCCC1(C(=O)O)CCN(C(=O)[C@@H]2CCCNC2=O)CC1 426684502 NTKIUMZNINZQKT-LLVKDONJSA-N 296.367 1.006 0 50 CDAA O=C(C1CC1)N1CCC(c2nc([C@H]3CCOC3)no2)CC1 96166915 TVEQTANPQGGRON-LBPRGKRZSA-N 291.351 1.690 0 50 CDAA CCc1ncc(C(=O)N2CCC(F)(F)CC2)cn1 95381283 OCEQXNUBEKGOJD-UHFFFAOYSA-N 255.268 1.910 0 50 CDAA CCCn1nc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1C 237056230 UTVNLYVJTSBTCZ-NEPJUHHUSA-N 293.367 1.893 0 50 CDAA CCCN(CCOC)C(=O)c1cc(CC)[nH]c(=O)c1 97784853 DPGBZROVJPDTFZ-UHFFFAOYSA-N 266.341 1.436 0 50 CDAA O=C(C1CC1)N1CCCN(CC[C@H]2CCOC2)CC1 438294663 SDGQRGOWUSIWFT-ZDUSSCGKSA-N 266.385 1.357 0 50 CDAA COc1ccc(CCN(C)C[C@H]2COCCO2)cc1OC 244673659 HTJJKIVRFGXQIG-AWEZNQCLSA-N 295.379 1.594 0 50 CDAA NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 299796695 NNRDPAMZOBUCSF-AWEZNQCLSA-N 261.369 1.554 0 50 CDAA Cc1cc2ncc(C(=O)N3CC[C@H](C)C3)c(C)n2n1 299726350 RHKFQJOTWFFCHY-VIFPVBQESA-N 258.325 1.828 0 50 CDAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2cnc(N)s2)C1 534647996 BVFLDJFXBSVCMN-VIFPVBQESA-N 296.396 1.102 0 50 CDAA CCN(CCn1cccn1)C(=O)[C@@H]1CCCNCC1 534661940 LPJNFULPINRKEC-CYBMUJFWSA-N 264.373 1.121 0 50 CDAA O=C(CCN1CCCC[C@@H]1C(=O)O)NCc1cccs1 534588299 PIPQOZNUDANWCT-GFCCVEGCSA-N 296.392 1.694 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@H](C)c2ncccc2C)[nH]1 534638536 XNELZVYTCZETPD-LLVKDONJSA-N 271.320 1.878 0 50 CDAA CS(=O)(=O)c1cccc2ncc(C(=O)O)cc12 261507537 JQTNSKYJMATOTH-UHFFFAOYSA-N 251.263 1.337 0 50 CDAA CC(C)c1nc(N2CCC3(CCNCC3)C2)no1 534653654 BLRVBZGRYBTPEA-UHFFFAOYSA-N 250.346 1.773 0 50 CDAA 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O=C(N[C@H]1CNC[C@@H]1O)C1c2ccccc2-c2ccccc21 1565508206 JSMNMEPEPVDUAG-HOTGVXAUSA-N 294.354 1.248 0 50 CDAA Cc1nc(C)c(CC(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)s1 1565505859 WQMPLJPUHUKFHM-QWRGUYRKSA-N 293.392 1.239 0 50 CDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccsc1 1565514392 ZBNMWHXCLHNZCZ-GHYVTOPFSA-N 280.393 1.124 0 50 CDAA CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](CO)C1 91303711 IAKIPYUZTQEURV-SNVBAGLBSA-N 267.329 1.242 0 50 CDAA in-vitro CCNC(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 276337899 QGFFJGGBQWKYFD-NSHDSACASA-N 278.356 1.330 0 50 CDAA Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H](C)C(=O)O 170045471 MVQNWKWMGZIGHP-ZCFIWIBFSA-N 290.241 1.859 0 50 CDAA O=C(NC[C@H]1CCCC[C@H]1O)c1cnn2ccncc12 170089406 QJJVNYJMRFZSCD-ZWNOBZJWSA-N 274.324 1.010 0 50 CDAA COC(=O)C(C)(C)CCN1CCO[C@@H]([C@@H]2CCCO2)C1 170601675 AOOUKTDESNNFHA-QWHCGFSZSA-N 285.384 1.456 0 50 CDAA C[C@H]1C(=O)N(C)CCN1Cc1nc(-c2ccccc2)no1 187002649 VILZELMXYKJPRA-NSHDSACASA-N 286.335 1.399 0 50 CDAA C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)CCN1 188442661 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280.393 1.705 0 50 CDAA CN(CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 248019296 RARMRDVSXWYEAH-CYBMUJFWSA-N 283.393 1.574 0 50 CDAA CN1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 19590021 QYMHDQMXJWUQDU-UHFFFAOYSA-N 265.332 1.402 0 50 CDAA C[C@@H](C[C@H]1C[C@@H](C)OC1=O)C(=O)Nc1nncs1 169346065 HSNRFEFDFJEALN-RNJXMRFFSA-N 269.326 1.454 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCN(C)CC3)n[nH]c21 1857529643 XTAINUIGJRPQOQ-MNOVXSKESA-N 292.383 1.210 0 50 CDAA O=C(O)c1cccc(CN2C[C@@H]3CCOC[C@]3(CO)C2)c1 1857669796 RDEGTCFLPQTSSZ-GOEBONIOSA-N 291.347 1.216 0 50 CDAA Cc1cccnc1N1CCN(C(=O)c2cnsc2)CC1 1857687475 SNFRHIRDFYMIHM-UHFFFAOYSA-N 288.376 1.809 0 50 CDAA CC(=O)N1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857695356 GCCKSYOABHBXBN-GJZGRUSLSA-N 288.347 1.035 0 50 CDAA Cc1nc(CNC(=O)[C@@H]2CCn3nccc3C2)n(C)c1C 1857707590 FHOGQEVEEGOXQQ-GFCCVEGCSA-N 287.367 1.112 0 50 CDAA O=C(NCc1ccncc1)C(=O)Nc1ccc(F)cc1 2920870 QZCNHOSHZWHDFS-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA C[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2ncn(C)n2)c1 126913139 KHBUUPWMTUHFPE-ZWNOBZJWSA-N 286.335 1.846 0 50 CDAA CC(=O)c1c(O)cc(C)n(Cc2cccnc2)c1=O 11990491 HWLNXVGNPWRCLM-UHFFFAOYSA-N 258.277 1.508 0 50 CDAA Cc1cc(C(=O)NCCC(=O)O)nc2ccccc12 154731412 GFFPHWWWVFIGBZ-UHFFFAOYSA-N 258.277 1.748 0 50 CDAA C[C@@H](C(=O)O)N(C)Cc1nc(-c2ccccc2)c[nH]1 262744187 DBXBNIYBUOFAOO-JTQLQIEISA-N 259.309 1.982 0 50 CDAA Cc1ncc(C(=O)N2CC[C@@](F)(C(=O)O)C2)c(C(C)C)n1 263244064 FTJCBTBKXIGBSZ-AWEZNQCLSA-N 295.314 1.547 0 50 CDAA O=C(CC1(O)CCCC1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 907958959 XDZBABUUMTUQSF-KXNHARMFSA-N 281.352 1.297 0 50 CDAA CCC(C)(C)OCC(=O)N1CCc2occc2[C@@H]1C(=O)O 910206409 SHTXWKQKCOXGDR-CYBMUJFWSA-N 295.335 1.995 0 50 CDAA C[C@H]1CCn2cc(C(=O)N(C)[C@H](C)C(=O)O)nc2C1 864096806 ITURODSVWOMAJG-DTWKUNHWSA-N 265.313 1.011 0 50 CDAA COC(=O)COCC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 952888219 OKERPDXZOPEBJY-HNNXBMFYSA-N 291.347 1.786 0 50 CDAA C[C@H]1C[C@H](NC(=O)CN)CCN1Cc1ccccc1 237638030 NYYPJJIRMCVJRT-GXTWGEPZSA-N 261.369 1.114 0 50 CDAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1cc(C2CC2)on1 253393766 SWKPZDCGFSPUIV-ZACCUICWSA-N 261.325 1.565 0 50 CDAA CNc1nc(C)cc(C(=O)N2C[C@H]3CCC[C@H]3C2)n1 280972032 KNTILJDJSQUJTD-PHIMTYICSA-N 260.341 1.699 0 50 CDAA CN1CCCC[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1 904217722 OTYKOUMFIIEAGI-AWEZNQCLSA-N 290.363 1.584 0 50 CDAA O=C(NCC[C@@H]1CCOC1)c1n[nH]cc1-c1ccncc1 2325797947 AWSUMSHEDKUUSU-LLVKDONJSA-N 286.335 1.628 0 50 CDAA CN(C)[C@H]1C[C@H](C(=O)N=c2cc[nH]cc2-c2ccncc2)C1 2325806494 BHSVQHUPHKPSEO-HDJSIYSDSA-N 296.374 1.844 0 50 CDAA NC(=O)N[C@H](Cc1ccccc1)Cc1cccnc1 2325868618 DDHZYBJJBUIZGK-CQSZACIVSA-N 255.321 1.904 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]21 248651950 VDEYYPIKJPANTB-KWCYVHTRSA-N 262.328 1.564 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCS1 405450 BRMCOLLUXAHJGQ-VIFPVBQESA-N 272.395 1.395 0 50 CDAA O=C1CN(c2ccccc2)S(=O)(=O)c2ccccc2N1 424499 WHBWPRWWDRPUMT-UHFFFAOYSA-N 288.328 1.834 0 50 CDAA CN(c1ccc(C(=O)NC2CCCC2)cc1)S(C)(=O)=O 470865 ULXIEUZBVYEYDF-UHFFFAOYSA-N 296.392 1.755 0 50 CDAA COc1cc2c(cc1-c1cnn(CC(=O)O)c1C)OCO2 2356149525 FWROLEOLWRJKAF-UHFFFAOYSA-N 290.275 1.680 0 50 CDAA CCOC(=O)CC(=O)c1cc(OC)cc(OC)c1 2575925 RFAPZUBGJSLLKW-UHFFFAOYSA-N 252.266 1.840 0 50 CDAA C=CC(=O)NC(NC(=O)C=C)c1ccc(OC)cc1 2952057 XXMMVYBJHABLAX-UHFFFAOYSA-N 260.293 1.298 0 50 CDAA CN(C(=S)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 4531739 BTWZTAVBIVNLDT-NSHDSACASA-N 284.406 1.502 0 50 CDAA O=c1c2ccccc2ncn1CCOc1ccc(CO)cc1 4842879 NMMNAKGEJCLUQW-UHFFFAOYSA-N 296.326 1.968 0 50 CDAA O=C(Cc1cccs1)NCCN1CCCCC1 6528236 XKXSTTBRSYREIW-UHFFFAOYSA-N 252.383 1.893 0 50 CDAA CCn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)on2)cn1 6706498 ILKCSRWVXLYDAM-UHFFFAOYSA-N 298.368 1.989 0 50 CDAA O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1 225171508 IGFFBUANFUFUIQ-KBPBESRZSA-N 294.782 1.933 0 50 CDAA CN(C)[C@@H]1CCN(Cc2nc(Cc3ccsc3)no2)C1 20868056 HAQKUYRWGWKALR-GFCCVEGCSA-N 292.408 1.858 0 50 CDAA Cc1nn(CC(=O)NCCc2cscn2)c(C)c1Cl 110004590 DSUWCGVNNNFQIM-UHFFFAOYSA-N 298.799 1.969 0 50 CDAA COc1cc(CN(C)Cc2nnc(C)o2)cc2c1OCO2 102547983 HUKOSRJMELOQQA-UHFFFAOYSA-N 291.307 1.747 0 50 CDAA CN1CCC[C@H](CN(C)C(=O)CC[C@H]2CCCO2)C1 248149924 SZARMDOUCQGESJ-UONOGXRCSA-N 268.401 1.746 0 50 CDAA O[C@H]1[C@H](N2CCOCC2)c2ccccc2C12CCNCC2 23159284 CXCODTIXIUNWFT-CVEARBPZSA-N 288.391 1.056 0 50 CDAA CCCc1nc(C)cc(N2CCC3(CC2)CNC(=O)O3)n1 65386504 HNNFMYGRHZMXPT-UHFFFAOYSA-N 290.367 1.816 0 50 CDAA CC(C)(C)OC(=O)N1CCc2nc(N)ncc2C1 20866982 PGNLVGKPNUNOJE-UHFFFAOYSA-N 250.302 1.352 0 50 CDAA COc1cccc(C[C@H](C)NCCc2nnc(N)s2)c1 65397044 BNWLEHKLVMWCJU-JTQLQIEISA-N 292.408 1.892 0 50 CDAA C/C=C(\C)C(=O)N1CCC(=O)N(CC(C)C)CC1 20271255 NVQGGKIQIJRUHG-LFYBBSHMSA-N 252.358 1.670 0 50 CDAA COc1cc(NCC(=O)Nc2ccccc2C)ncn1 32593057 KUSLYLVZQWOQNL-UHFFFAOYSA-N 272.308 1.844 0 50 CDAA COC(=O)c1ccccc1NC(=O)[C@@H]1CCCCN1 36135395 ZQROKTOCCZZEEX-LBPRGKRZSA-N 262.309 1.554 0 50 CDAA Cc1cc(N2CCN(c3cccnc3)CC2)n2nccc2n1 72418391 GMGCECLWAXCKIM-UHFFFAOYSA-N 294.362 1.759 0 50 CDAA CN1CCN(C(=O)c2ccoc2)C[C@H]1c1ncc[nH]1 328637422 VYIBSIMGIQNZSK-NSHDSACASA-N 260.297 1.132 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1noc(CC)n1 257365517 HMSAMFGOUJXWEE-OUAUKWLOSA-N 279.340 1.721 0 50 CDAA O=C(O)Cn1ccc(NC(=O)C2(c3ccccc3)CC2)n1 123043355 DZHDJDNHBLWHHY-UHFFFAOYSA-N 285.303 1.638 0 50 CDAA COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](C)N)c1 155749447 SDBQCOPEHAPRHI-DOMZBBRYSA-N 292.379 1.550 0 50 CDAA OCc1ccc(-c2nccn2CCSc2c[nH]nn2)o1 71759588 LAVQYZBKOCAKFC-UHFFFAOYSA-N 291.336 1.546 0 50 CDAA CC(=O)N1CC[C@@](C)(C(=O)NCC2(O)CCCCC2)C1 368405852 WITWFOGVCZVDFB-CQSZACIVSA-N 282.384 1.056 0 50 CDAA Cc1ccccc1CC1(NC(=O)CNC2CC2)CC1 215917871 UPRBQOLBPCHSRY-UHFFFAOYSA-N 258.365 1.938 0 50 CDAA C[C@]1(CN)CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 262077103 SWNYJUSSQHEUGL-QGZVFWFLSA-N 298.390 1.612 0 50 CDAA O=C(c1cc(-c2ccsc2)[nH]n1)N1CC[C@H]2CNC[C@H]21 77439501 QMFAPWQPCVJGIM-TVQRCGJNSA-N 288.376 1.572 0 50 CDAA Cc1nc(N)ncc1C(=O)NCc1nc2ccccc2n1C 216304321 VLZULPZFLLOAOQ-UHFFFAOYSA-N 296.334 1.184 0 50 CDAA Cc1cnc([C@H](C)N2CCC[C@@H](n3ccnn3)C2)o1 333418536 RGQKYYMNOYIGTR-NWDGAFQWSA-N 261.329 1.973 0 50 CDAA Cc1nc(C(C)C)oc1C(=O)N1CC[C@H](c2nc[nH]n2)C1 333501923 SFEQOOURKJAQKZ-JTQLQIEISA-N 289.339 1.854 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 237611754 VLJOGGSTPRKVJY-VPPSXGLOSA-N 287.363 1.137 0 50 CDAA Cc1ccc(OCC(=O)NC2CCN(C)CC2)cc1 72137455 VOTQXGTUMIPUPQ-UHFFFAOYSA-N 262.353 1.584 0 50 CDAA CC1=NO[C@@H](C(=O)NCc2cnn3ccccc23)C1 72126521 NZIBYMTUPWNGKO-GFCCVEGCSA-N 258.281 1.115 0 50 CDAA CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cc(C)nn1C 284943012 PNOAHRKUMWPTNQ-LBPRGKRZSA-N 292.383 1.249 0 50 CDAA O=c1c2nnc3ccnn3c2ccn1Cc1ccccc1 40388024 MEDZDNPDTFTETJ-UHFFFAOYSA-N 277.287 1.488 0 50 CDAA CCC1(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CCC1 174931155 IDRMPKUTEWNDGX-GXFFZTMASA-N 282.409 1.889 0 50 CDAA CCc1occc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286065430 CDSXQRQWGNJBTC-IACUBPJLSA-N 293.363 1.844 0 50 CDAA CN(C(=O)[C@@H]1CCOC1)[C@@H](Cc1ccccc1)C(=O)O 263471648 RZPHFKFLEGLTOZ-OLZOCXBDSA-N 277.320 1.177 0 50 CDAA Cc1cccc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)c1F 286946972 REAHPTQUBYIDAY-SCZZXKLOSA-N 268.263 1.172 0 50 CDAA CCOC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OCC 43763026 GRJKGIXHWOSOPY-NXEZZACHSA-N 258.318 1.790 0 50 CDAA Cc1nc2ccccc2n1CC(=O)N1CC[C@@H](C(=O)O)C1 178261739 HIEMADZOAHURNU-LLVKDONJSA-N 287.319 1.278 0 50 CDAA CCCN(Cc1nccn1C)C(=O)N[C@@H](C)COC 426716878 MFZDKHUSENNTCN-NSHDSACASA-N 268.361 1.377 0 50 CDAA CCCCn1nc(CC(N)=O)nc1CCSC 96162454 PPIZERSTFBSBEC-UHFFFAOYSA-N 256.375 1.012 0 50 CDAA CCc1nccn1CCNC(=O)CC[C@@H]1CCCCN1C 95359307 QZJXSBNOSDWUAF-AWEZNQCLSA-N 292.427 1.826 0 50 CDAA C[C@@H]1CN(c2ncc(C(=O)O)cc2Cl)C[C@]1(C)O 91416444 WJGGNOSNBHZNMC-KRTXAFLBSA-N 270.716 1.640 0 50 CDAA CN(CC1(CO)CCC1)C(=O)c1cnc(C2CC2)nc1 97413396 QZQVATHKNPFKOT-UHFFFAOYSA-N 275.352 1.589 0 50 CDAA O=C(Nc1cccnn1)N1CCSC2(CCOCC2)C1 184496713 OYGSFYQOZQZXDD-UHFFFAOYSA-N 294.380 1.607 0 50 CDAA O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CC=CCC1 244900135 ZWQJAINGHKKVPM-KSSYENDESA-N 286.331 1.181 0 50 CDAA COCC(C)(C)NC(=O)c1cc(O)cc(C(=O)OC)c1 534590103 HENUCLJHQXDIHF-UHFFFAOYSA-N 281.308 1.334 0 50 CDAA c1nc2[nH][nH]cc-2c(=NC[C@@H]2CCN(C3CCCC3)C2)n1 534588918 LIPSNASLCMCIHO-NSHDSACASA-N 286.383 1.403 0 50 CDAA CS(=O)(=O)c1cccc2cc(C(=O)O)cnc12 261507255 GWCGDCPOQHPRHD-UHFFFAOYSA-N 251.263 1.337 0 50 CDAA Cc1n[nH]nc1C(=O)N(C)Cc1cc(C(C)C)on1 299761195 WJPRNMAGCOBCJO-UHFFFAOYSA-N 263.301 1.497 0 50 CDAA NC[C@@H]1Cc2c(F)ccc(-c3ccc(C(N)=O)cc3)c2O1 299799976 YBJQWECKZANSOB-NSHDSACASA-N 286.306 1.854 0 50 CDAA COc1ccc(C)c(NC(=O)N[C@@H]2CCOC2)c1 299762010 UGHXTIVRZLCITN-SNVBAGLBSA-N 250.298 1.914 0 50 CDAA CC(C)CNC(=O)N1CCC(CN)(C(F)(F)F)CC1 725264653 AHXHHNILOLKDMI-UHFFFAOYSA-N 281.322 1.955 0 50 CDAA CC(C)(C)n1ncnc1-c1cnc2ccccn2c1=O 828407475 YFOPNSKZPGTEJX-UHFFFAOYSA-N 269.308 1.708 0 50 CDAA CCCS(=O)(=O)NC[C@@H](C)NCc1cnc(C)c(C)c1 584903966 WZIYRIAQQAUESA-GFCCVEGCSA-N 299.440 1.506 0 50 CDAA Cc1cccc(C)c1N[C@@H](C)C(=O)NCCc1cnn[nH]1 584903761 BHIUXNNBQZFFTO-LBPRGKRZSA-N 287.367 1.581 0 50 CDAA O=C(NCCN1CCC[C@@H](CO)C1)C1CCCCCC1 584889070 NSDLNGDJEIZCMA-CQSZACIVSA-N 282.428 1.777 0 50 CDAA CN(Cc1c[nH]nc1C(=O)O)C[C@@H]1Cc2ccccc2O1 670466799 XHOMBPYSPDWQBM-LBPRGKRZSA-N 287.319 1.543 0 50 CDAA COCCCNC(=O)COc1ccc(C)c(C)c1 2992966 WWFYJRMSYIUUQQ-UHFFFAOYSA-N 251.326 1.835 0 50 CDAA Cc1ncsc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1 670461302 UZLHXZNDQUKHQP-STQMWFEESA-N 281.425 1.483 0 50 CDAA C[C@@H]1C[C@H](N)CN[C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 757213054 NNGYGHVINMQSEQ-KJPMQGKISA-N 265.323 1.242 0 50 CDAA CN(C)C(=O)CN(C[C@H]1CCCO1)[C@H]1CCSC1 240321547 FAHFQLNBRUAZLC-NWDGAFQWSA-N 272.414 1.061 0 50 CDAA Cc1cc(CCC(=O)N[C@@H]2CCNC23CCC3)no1 1354382151 SNDXSRGUTSTPOG-GFCCVEGCSA-N 263.341 1.316 0 50 CDAA O=C(O)COCCNC(=O)OCc1ccccc1 86433551 MBFFUILDSABICM-UHFFFAOYSA-N 253.254 1.014 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1coc(-c2ccccc2)n1 268881628 DOJZNHMADVCJBQ-NEPJUHHUSA-N 286.287 1.679 0 50 CDAA CC(C)N(C)CCC(=O)N1CC[C@](O)(C2CC2)[C@@H](C)C1 1565531077 DRRWGCZQCYOYJL-XJKSGUPXSA-N 282.428 1.726 0 50 CDAA CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@H](N)C1 245418552 GPAZVHSRZKTBAT-MELADBBJSA-N 267.417 1.447 0 50 CDAA O[C@H]1C[C@H](Nc2ccc3cc(Cl)cnc3n2)C[C@H]1O 895200915 VXARMQUQVAYPDO-RTCCRHLQSA-N 279.727 1.579 0 50 CDAA Cn1nccc1N1CCC[C@H](Nc2ccccn2)C1=O 170090387 YGBMTZAXLAAGLP-NSHDSACASA-N 271.324 1.423 0 50 CDAA Cc1cc(S(=O)(=O)NC(=O)C2(C)CCC2)c(C)o1 170592046 LKUDIHXBDBEZFJ-UHFFFAOYSA-N 271.338 1.892 0 50 CDAA CO[C@H](C)CS(=O)(=O)N[C@H](c1nccs1)C1CC1 170620341 MXSIAPRZVGTZSP-SCZZXKLOSA-N 290.410 1.549 0 50 CDAA NC(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)c[nH]1 170621703 RFEJQGGTAMOUBH-CYBMUJFWSA-N 283.331 1.921 0 50 CDAA Cn1nc(C2CCOCC2)cc1NC(=O)CNC1CC1 638613610 HYYASHQDYHMSOK-UHFFFAOYSA-N 278.356 1.005 0 50 CDAA CCc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)o1 583620118 ZTDMRTJWPKQVGG-AAEUAGOBSA-N 289.335 1.836 0 50 CDAA O[C@H]1CN(Cc2cnccc2Cl)C[C@@H]1N1CCCC1 584902441 VIGFUZPOQVXAKI-KBPBESRZSA-N 281.787 1.376 0 50 CDAA COC(=O)[C@H]([C@@H](C)O)N(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585089937 WMVMTGQHJPSNTF-FGPLHTHASA-N 283.368 1.194 0 50 CDAA CC1(C)CC(=O)NCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585128997 UAIPBOBKPIBZRX-AVGNSLFASA-N 278.396 1.940 0 50 CDAA COC[C@@H]1CN(Cc2ccccc2C(=O)O)C[C@@H](C)O1 565105878 PWGJKPMLNFGKRH-YPMHNXCESA-N 279.336 1.621 0 50 CDAA COc1ccc(C)cc1CNc1nc(N)[nH]c2ncnc1-2 758836696 HKGKTCZPGSXSHT-UHFFFAOYSA-N 284.323 1.816 0 50 CDAA Cn1ncc(Cl)c1C(=O)N[C@@H](CO)CC1CCCC1 1467418827 XRUJQXNSYLGZPA-SNVBAGLBSA-N 285.775 1.745 0 50 CDAA COc1ccccc1CN(C)[C@@H](CCC(=O)O)C(=O)O 1614993998 ZJSNSYNBLQEFRL-NSHDSACASA-N 281.308 1.445 0 50 CDAA Cc1cnn(C)c1C(=O)N1CC[C@]2(C(=O)O)CCC[C@H]12 1771920998 PUSPWCOXMISXQP-IINYFYTJSA-N 277.324 1.198 0 50 CDAA CC(C)c1nc(CCNc2nccnc2N(C)C)no1 1506405610 AREDQOLTLKAKFI-UHFFFAOYSA-N 276.344 1.704 0 50 CDAA Cc1ccn(S(=O)(=O)c2ccc(F)c(C)c2)n1 816466 XUWYUEFQIIILAQ-UHFFFAOYSA-N 254.286 1.876 0 50 CDAA Cc1nc[nH]c1CN(CCO)C(=O)C1Cc2ccccc2C1 1704311995 JAKBSSKBLWXLEA-UHFFFAOYSA-N 299.374 1.454 0 50 CDAA Cc1cnnc(N2CCC3(CC2)CO[C@@H](CN)C3)c1C 1857669890 BAHOTIOCCWKMGT-CYBMUJFWSA-N 276.384 1.428 0 50 CDAA CC[C@H](NC(=O)c1ccns1)c1ccnn1C 1857684004 VGHHXKSWAIHOKG-QMMMGPOBSA-N 250.327 1.758 0 50 CDAA O=C1CC2(CCN(Cc3nccs3)CC2)OCCN1 1857685466 KGFYLBJIJPSNJN-UHFFFAOYSA-N 281.381 1.014 0 50 CDAA C[C@@H]1CC[C@H](C(=O)NC2CCC(C(=O)O)CC2)O1 157884232 GCBXPRHHCSQXFL-AGVGLQIMSA-N 255.314 1.314 0 50 CDAA CCC[C@H](C)NC(=O)[C@H]1CCCN(CCOC(C)=O)C1 585141415 VLVVWKCIDAIAKJ-JSGCOSHPSA-N 284.400 1.566 0 50 CDAA CNC(=O)c1ccc(CNc2ncc(F)c(OC)n2)o1 1772703927 FKYWTJDFJGRLAY-UHFFFAOYSA-N 280.259 1.189 0 50 CDAA CC(C)CCC[C@@H]1CN(C(=O)CN2CCCC2=O)CCO1 11878810 GHDSROUCPKBCOB-CQSZACIVSA-N 296.411 1.663 0 50 CDAA CC(C)(C)CN1CCC[C@](O)(CN2CCCOCC2)C1=O 14981404 KHGFQFCKUVGJJM-INIZCTEOSA-N 298.427 1.108 0 50 CDAA CC(C)N1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 15064845 JDOOZUBUINAGTK-CQSZACIVSA-N 293.455 1.850 0 50 CDAA Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C)on2)n[nH]1 407979620 CXIFXVWBNVUFEP-NSHDSACASA-N 275.312 1.777 0 50 CDAA O=C(NC1(C(=O)O)CC1)c1ccn(-c2ccccc2F)n1 237989384 GJLYCUWJJBDIHH-UHFFFAOYSA-N 289.266 1.358 0 50 CDAA CC(C)O[C@@H](CN1CC[C@@H](C(N)=O)C1)c1ccccc1 585085633 AYRKUGJELCTNCV-CABCVRRESA-N 276.380 1.960 0 50 CDAA C[C@H](CC(=O)Nc1c[nH]nc1C(=O)O)C(F)(F)F 902232707 CUFALOFZTXLYFO-SCSAIBSYSA-N 265.191 1.635 0 50 CDAA C[C@H]1[C@@H](N)CCN1C(=O)Nc1cnn(-c2ccccc2)n1 841168831 VNEJACJCCMQIJR-JQWIXIFHSA-N 286.339 1.221 0 50 CDAA O=C(c1cnn2ccccc12)N1CCc2nc[nH]c2C1 929079843 BWXVIJSQOVMSMX-UHFFFAOYSA-N 267.292 1.256 0 50 CDAA COCc1ccc([C@H]2COCCN2CCn2cccn2)o1 932326558 QZGBPRSBRHPHQY-CQSZACIVSA-N 291.351 1.696 0 50 CDAA O=C([C@@H](O)c1ccccn1)N1CCC2(CCOCC2)C1 857458046 IGXSSHGYPCQVOG-ZDUSSCGKSA-N 276.336 1.144 0 50 CDAA CNC(=O)[C@@H]1CCC[C@H]1Nc1nc2cnccc2n1C 865650492 LNRBEVGFNZYKJE-NXEZZACHSA-N 273.340 1.295 0 50 CDAA CCc1ncn(Cc2cccc(C(=O)O)c2)c(=O)c1C 952847824 LCXSDKCHEHESFM-UHFFFAOYSA-N 272.304 1.861 0 50 CDAA C[C@H](NS(=O)(=O)N1CCc2cccnc21)C1CCC1 1875290571 QJEGAWBCKPOTPZ-JTQLQIEISA-N 281.381 1.467 0 50 CDAA CCC1CCC(N(C(=O)C[C@H](N)C(=O)O)C2CC2)CC1 1875287563 PEPJLQFQYSLNAW-XIVSLSHWSA-N 282.384 1.748 0 50 CDAA Cc1cscc1C(=O)N1CC[C@@H](Cc2nn[nH]n2)C1 1875286001 KFOJZRGZUBQWFH-VIFPVBQESA-N 277.353 1.274 0 50 CDAA CCN(CC)C(=O)[C@@H](C)N1CCC(Cc2cc[nH]n2)CC1 1875275029 QLQFQKXGYFXMBV-CYBMUJFWSA-N 292.427 1.921 0 50 CDAA CC(C)(C)c1nc(C(=O)N2CCNC[C@H]2C(F)F)co1 876854860 XEILGXNUOQOYNY-VIFPVBQESA-N 287.310 1.651 0 50 CDAA Cc1c(C(=O)N2CC(CN)C2)nc(O)c2ccccc12 1875326766 JIKBXZXUMXFYPQ-UHFFFAOYSA-N 271.320 1.280 0 50 CDAA NC(=O)C1=NO[C@@H](CNc2nc3ccc(F)cc3s2)C1 882234656 TZFKOIHMPQFUCK-SSDOTTSWSA-N 294.311 1.478 0 50 CDAA C=CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCC1 888098442 GYLKVKSBKQYVTO-GFCCVEGCSA-N 262.353 1.424 0 50 CDAA Cc1cc(OC(F)F)c(C(=O)NOC[C@@H](C)N)s1 888094405 XFLVBDRFENNPTH-RXMQYKEDSA-N 280.296 1.667 0 50 CDAA Cc1cn(C)nc1CNCc1ccc(-n2ccnc2)nc1 1177190399 AFESNGGBEWIOCM-UHFFFAOYSA-N 282.351 1.599 0 50 CDAA CC(=O)NC1CCN(c2nccc3nc[nH]c23)CC1 892149637 FMDOEOMDFDTNEQ-UHFFFAOYSA-N 259.313 1.063 0 50 CDAA O=C(NCc1ccc2cccnc2c1)N1CCNCC1 892358399 NBEWZOOILAEORA-UHFFFAOYSA-N 270.336 1.350 0 50 CDAA CS(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 19572541 YZGUDGWRSDNNAM-UHFFFAOYSA-N 288.800 1.417 0 50 CDAA COC[C@@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)C1CCCC1 1775959709 RKQGITZKTNEQOE-GBJTYRQASA-N 279.384 1.352 0 50 CDAA CCc1nc2c(C(=O)N[C@H]3C[C@@H](N)C34CCC4)ccnc2[nH]1 1775960871 OVPHJXDWQQXWPC-MNOVXSKESA-N 299.378 1.520 0 50 CDAA OC[C@H]1CCCN1c1cc(Cl)nc(NC2CC2)n1 1775999617 QTQOZPJAOQNFOK-SECBINFHSA-N 268.748 1.665 0 50 CDAA Cn1[nH]nnc1=NCc1cccc(OC(F)(F)F)c1 1775994268 BSUFNKJZQFSZJJ-UHFFFAOYSA-N 273.218 1.143 0 50 CDAA COC(=O)c1cc(Br)c(N)c(OC)c1 40564700 WNTCZYCMVFZROL-UHFFFAOYSA-N 260.087 1.827 0 50 CDAA in-vitro CC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@@H](C)O1 236954905 FSENOTCKPFGQDB-MRVWCRGKSA-N 262.353 1.712 0 50 CDAA CCOc1ccc(OCCN2CCOCC2)cc1 20118283 YJRSQVXPOSXGMH-UHFFFAOYSA-N 251.326 1.796 0 50 CDAA C[C@@H](C(=O)O)N(C(=O)c1cn2ccccc2n1)C1CC1 262582738 GAKNGUNITFNBPV-VIFPVBQESA-N 273.292 1.412 0 50 CDAA COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)ccc1C 263321110 NOULWGWYIZUOAC-PHIMTYICSA-N 263.293 1.597 0 50 CDAA Cc1ncsc1CCN(C)CCn1cccn1 172537821 NBKSYVJYQOCBBI-UHFFFAOYSA-N 250.371 1.823 0 50 CDAA Cc1nscc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 181134383 MOUDDCRYCQQGDY-QWHCGFSZSA-N 274.345 1.840 0 50 CDAA CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ncc[nH]1 665307576 KKSGBZSXDPTRPK-SNVBAGLBSA-N 273.292 1.322 0 50 CDAA CS(=O)(=O)N1CCC[C@H](NC[C@H]2C[C@H]3C=C[C@H]2C3)C1 343772107 WCELDGIEYMXCDH-FQUUOJAGSA-N 284.425 1.212 0 50 CDAA C[C@@H]1NCC[C@@H](C)[C@H]1NC(=O)Cc1cccc(O)c1 387947184 ALZIEVRDPMWTDR-JRPNMDOOSA-N 262.353 1.437 0 50 CDAA CN(C)CC1(NC(=O)c2cccc(C(=O)O)c2)CCC1 393561988 LVFODMCECUGMSM-UHFFFAOYSA-N 276.336 1.599 0 50 CDAA CCCn1cnnc1CNCc1ccc(OC)nc1 952868701 CXZWSGGJSAJONN-UHFFFAOYSA-N 261.329 1.382 0 50 CDAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(O)cc1 53242 NMIRIOAQKKMURM-CYBMUJFWSA-N 290.319 1.925 0 50 CDAA COc1cccc(-c2ccnc3[nH]c(=O)[nH]c(=O)c23)c1 10338997 VNVQPFBZQUZYHR-UHFFFAOYSA-N 269.260 1.287 0 50 CDAA CCOC(=O)N1CCN(Cc2ccn3ncnc3c2)CC1 2100556768 HDFUXZITUDKNBC-UHFFFAOYSA-N 289.339 1.003 0 50 CDAA CN(C)[C@H]1CN(c2nccc3ccccc23)C[C@@H]1O 1506397052 XZDJGYVIGDLPAT-KBPBESRZSA-N 257.337 1.346 0 50 CDAA CC1(C)CN(C(=O)[C@@H](O)c2ccc(Cl)cc2)[C@@H]1C(=O)O 2325775166 FMMUXBLBDARIIN-WDEREUQCSA-N 297.738 1.695 0 50 CDAA O=C1NC[C@H]2CC[C@H]1N2C(=O)c1cc(-c2ccccc2)no1 2325787658 NZURGELRVYGWKD-DGCLKSJQSA-N 297.314 1.445 0 50 CDAA CCn1ncc(=NC(=O)N2CC[C@H]3CCC[C@@H]3CC2)[nH]1 2325807575 DLDTWJPFUZQIOO-VXGBXAGGSA-N 277.372 1.764 0 50 CDAA Cc1ocnc1C(=O)NCCc1cccc(C(=O)O)c1 225553359 DFCMINZPUFRGTK-UHFFFAOYSA-N 274.276 1.654 0 50 CDAA COc1ccc2c(c1)C=C(C(=O)N[C@H]1C[C@@H]1C)CO2 151212974 FVOHUIWUFLPAMQ-ZANVPECISA-N 259.305 1.996 0 50 CDAA CN(C)c1cccc2c(S(=O)(=O)NN)cccc12 57114 KPQYDVAFRDWIBW-UHFFFAOYSA-N 265.338 1.058 0 50 CDAA O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1O 102109 WGSWQXLDSCUOQI-UHFFFAOYSA-N 254.245 1.539 0 50 CDAA CC(=O)c1csc(CS(=O)(=O)c2ccccn2)n1 122622 KHJRGSODEFTCFO-UHFFFAOYSA-N 282.346 1.715 0 50 CDAA CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(=O)O)cc1 162604 RCOBWACBWBWZKK-UHFFFAOYSA-N 285.321 1.147 0 50 CDAA COC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)OC 2963048 YKDASBAWJFXNAV-UHFFFAOYSA-N 266.146 1.816 0 50 CDAA CCOC(=O)CC[C@@H](NC(=O)c1ccccc1)C(=O)O 3136792 HUCGEDSWWHKLTN-LLVKDONJSA-N 279.292 1.213 0 50 CDAA CCCNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 4537731 AZMWJGZSNNGKDS-UHFFFAOYSA-N 284.381 1.969 0 50 CDAA NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 4948985 MQNOHCSEAOOGGV-UHFFFAOYSA-N 268.263 1.302 0 50 CDAA CCOC(=O)CCCCSc1nc(O)nc2[nH]cnc12 6380522 NZZHJIASZMDNMR-UHFFFAOYSA-N 296.352 1.884 0 50 CDAA CCNC(=O)NCc1nc(-c2cccc(C)c2)no1 6730154 JYBGPLUNTVMFOI-UHFFFAOYSA-N 260.297 1.864 0 50 CDAA Cc1ccc(Cl)cc1N([C@H](C)C(N)=O)S(C)(=O)=O 10366139 XUIKWGSQAQQYBU-MRVPVSSYSA-N 290.772 1.288 0 50 CDAA CCOC(=O)c1ccc(N2C(=O)CC(=O)N=C2O)cc1 8743106 STJZJYFMCGDCHW-UHFFFAOYSA-N 276.248 1.041 0 50 CDAA C[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)c1ccccc1 225395745 MZUFAWKFGUAHRI-LBPRGKRZSA-N 272.348 1.623 0 50 CDAA Cc1ccccc1CNc1nc2[nH]c3c(c(=O)n2n1)CCC3 100641639 WPMUFFRGEXJVGB-UHFFFAOYSA-N 295.346 1.827 0 50 CDAA NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)C1 247129448 NMCQEBHVPJQZPZ-XHVZSJERSA-N 280.318 1.876 0 50 CDAA O=C(NC[C@H]1CS1)C(=O)Nc1cccc(Cl)c1 20437445 XVEIFMBHQVQNCL-VIFPVBQESA-N 270.741 1.510 0 50 CDAA CCCN1C[C@@H](N2Cc3ncccc3C2=O)CC1=O 65375354 WWKUNWYXFUYBPW-JTQLQIEISA-N 259.309 1.048 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)c2csc(C)n2)[nH]n1 65531162 IKKRNMALABGTEW-ZETCQYMHSA-N 264.354 1.844 0 50 CDAA Cn1cc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cn1 230056228 IDRUALTXRWZJMC-AVGNSLFASA-N 263.341 1.638 0 50 CDAA CC(=O)NC[C@@H]1CCN(Cc2cc(C(C)C)no2)C1 67955161 KQBBNSXOQBOCMY-LBPRGKRZSA-N 265.357 1.756 0 50 CDAA Cc1ccc(OC2CCN(C(=O)CNC(N)=O)CC2)cc1 77385964 OTQWHLXYASKIFS-UHFFFAOYSA-N 291.351 1.033 0 50 CDAA Cc1onc(N)c1S(=O)(=O)N(C)[C@@H](C)c1ccccc1 281296980 YSMQCDQGJSUSMX-VIFPVBQESA-N 295.364 1.947 0 50 CDAA Cn1ncc2c(=O)ccn(Cc3nnc4n3CCCCC4)c21 329784372 PELDRHNEZOUVSJ-UHFFFAOYSA-N 298.350 1.101 0 50 CDAA O[C@@H]1CNCC[C@H]1CNCc1ccc(-c2ccccn2)cc1 72147814 YXJFQVGJVUAOHH-FUHWJXTLSA-N 297.402 1.809 0 50 CDAA C[C@H]1CC(C(=O)N2CCCc3n[nH]cc32)C[C@H](C)O1 328591308 UWWSGEQMWWEFAI-UWVGGRQHSA-N 263.341 1.893 0 50 CDAA C[C@H](C[S@@](C)=O)NC(=O)Nc1ccc(F)cn1 123004470 QFTSGPZTAGLOHD-GJEGPGMTSA-N 259.306 1.109 0 50 CDAA Cc1ccnc(C2CCN(C(=O)C[C@H]3CCOC3)CC2)n1 374968065 HCWOXWHZQPWHPP-CYBMUJFWSA-N 289.379 1.918 0 50 CDAA C[C@H](NC(=N)O)C(=O)N1CC[C@@H](Nc2ccccc2)C1 330535560 WBJUYWRVEQRCAA-CMPLNLGQSA-N 276.340 1.170 0 50 CDAA C[C@H]1C[C@@H](C(=O)NCc2ccc(CO)c(F)c2)CO1 331259115 HHBFYNMCYSBPRU-JOYOIKCWSA-N 267.300 1.359 0 50 CDAA OC[C@]1(F)CCCN(c2nc(O)c3ccccc3n2)C1 367735151 WZDIFMPJJMYLQG-AWEZNQCLSA-N 277.299 1.636 0 50 CDAA COc1n[nH]c(=NC(=O)N2CC(C)(C)[C@H]2C(C)C)s1 331806872 TVWYTXRYKKEQKC-MRVPVSSYSA-N 284.385 1.867 0 50 CDAA O=C([C@@H]1CCCN1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 261753419 QJIYAIKCOWJNRW-OWCLPIDISA-N 288.391 1.853 0 50 CDAA C[C@@H](N)CC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 261890412 TUDQPUNPRPHYHK-YPMHNXCESA-N 292.354 1.984 0 50 CDAA CCC[C@H](NC(=O)c1c(Cl)c(C)nn1C)C(=O)NC 216198038 XWEIMZBMZWSSLK-QMMMGPOBSA-N 286.763 1.026 0 50 CDAA O=C(NCc1ccc2ccccc2n1)c1ccnnc1 216373556 LBQPPLQUVQRHQK-UHFFFAOYSA-N 264.288 1.955 0 50 CDAA Cc1ccc(CN2CCC(NS(C)(=O)=O)CC2)o1 77522366 GGZNJYUIXSKYNE-UHFFFAOYSA-N 272.370 1.102 0 50 CDAA O=C(c1cnc(C2CC2)nc1)N1CCCc2n[nH]cc21 333465313 MOUVIQAZLOOSIV-UHFFFAOYSA-N 269.308 1.670 0 50 CDAA CCCN(Cc1csc(C)n1)[C@H]1CC(=O)N(C)C1=O 282599559 XUFXFNBHPTZFCO-NSHDSACASA-N 281.381 1.421 0 50 CDAA c1cc(CN2CC[C@H](n3cnc4c3CCCC4)C2)n[nH]1 334140991 CUCWITWDYJQJRU-ZDUSSCGKSA-N 271.368 1.932 0 50 CDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccc(F)cc1 136169074 DQLLUVBHRLNJGL-NDBYEHHHSA-N 293.294 1.320 0 50 CDAA C[C@H](NC(=O)c1cccnc1)c1nc(C(F)(F)F)no1 521396351 OZANNUHIGVGADH-LURJTMIESA-N 286.213 1.974 0 50 CDAA C[C@@H]1CN(c2ncc(Cl)cc2Cl)C[C@H]1C(N)=O 284570626 ISFVHFUEZNOPOS-HTRCEHHLSA-N 274.151 1.946 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(F)cc1Cl 284738276 ULSCKNWHOIVPGJ-KOLCDFICSA-N 274.698 1.877 0 50 CDAA CO[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)O)ccn1 263449018 ZSAOWEWVOLMMQP-JQWIXIFHSA-N 278.308 1.467 0 50 CDAA c1cncc(NCCCN=c2cc([C@@H]3CCOC3)nc[nH]2)c1 426737537 RMFRRFHGPFFJBZ-CYBMUJFWSA-N 299.378 1.712 0 50 CDAA COCCn1cc(C(=O)N2CC(O)C2)c2ccccc21 177988383 IAOLAQITNQEQFG-UHFFFAOYSA-N 274.320 1.104 0 50 CDAA Nc1ncc2c(I)c[nH]c2n1 85224496 VAQOHRRKRVCAIA-UHFFFAOYSA-N 260.038 1.145 0 50 CDAA CC[C@H](NC(=O)c1cc(F)ccc1O)C1CC(O)C1 220298102 XVMZQGXAMDVWQT-VCJLRHCSSA-N 267.300 1.811 0 50 CDAA CCCN(Cc1ccccn1)C(=O)N[C@H](C)C(=O)O 426429821 OPGOQNWARXPLJD-SNVBAGLBSA-N 265.313 1.476 0 50 CDAA CN=c1ccc(-c2ccc(OC)cc2-n2cccn2)n[nH]1 426389268 NNKYVTXEOSTOPL-UHFFFAOYSA-N 281.319 1.802 0 50 CDAA CCc1nocc1CN(C)C(=O)C12CCCN1CCC2 293858703 AAUXDGPOOYZEDM-UHFFFAOYSA-N 277.368 1.824 0 50 CDAA C[C@H](CCn1cccn1)N1CCC2(CCNCC2)C1 426661969 GKWRWPLZIIZCOX-CQSZACIVSA-N 262.401 1.737 0 50 CDAA COC[C@H]1CCCN1C(=O)Cc1cnc2c(C)cccn12 97815335 LJXONRACYKYNKB-CYBMUJFWSA-N 287.363 1.823 0 50 CDAA Cc1nc(O)c(C(=O)NCCc2cn[nH]c2)c(C)c1Cl 426623262 QHAAPJXCRBUWKU-UHFFFAOYSA-N 294.742 1.753 0 50 CDAA CN(CC1CCOCC1)[C@H](C(=O)O)c1ccc(CO)cc1 95370802 AZBHDANJRBAASN-HNNXBMFYSA-N 293.363 1.663 0 50 CDAA O=C(C1CC1)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1 96166914 TVEQTANPQGGRON-GFCCVEGCSA-N 291.351 1.690 0 50 CDAA CCn1ccc(C(=O)NC[C@@H]2COc3ccccc3C2)n1 91350560 LBWMKRICPZBHQD-GFCCVEGCSA-N 285.347 1.884 0 50 CDAA CN(CC1(N2CCOCC2)CCCCC1)c1ccncn1 91649954 OBPUEFYLUDWKJA-UHFFFAOYSA-N 290.411 1.948 0 50 CDAA CO[C@]1(c2nc(-c3cn(C)nc3C(C)C)no2)CCOC1 293162818 XZZKBEWOPYJONG-CQSZACIVSA-N 292.339 1.856 0 50 CDAA CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)CC#N 147456612 LXFPSWDBIYQBAB-VIFPVBQESA-N 254.286 1.105 0 50 CDAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CN 237707674 ABIDJHZUWVNZBQ-CABZTGNLSA-N 268.744 1.587 0 50 CDAA CC[C@@H](O)Cn1nc(C)nc1Cc1c(C)noc1C 96132922 CUSMYFIWRZHABW-LLVKDONJSA-N 264.329 1.553 0 50 CDAA CCn1ccc(CN2CC3(CCN(C)CC3)CC2=O)n1 95530733 XRVPEURMHPWRSV-UHFFFAOYSA-N 276.384 1.347 0 50 CDAA CN(Cc1cccc(-c2nnn[nH]2)c1)C[C@@H]1CCOC1 95193334 XVGCSAUJPCEPDH-LBPRGKRZSA-N 273.340 1.335 0 50 CDAA CCc1nccn1CCN1CCCC[C@H]1CCO 244605547 FAQLDSOAXIYNHY-ZDUSSCGKSA-N 251.374 1.682 0 50 CDAA CC(C)N1CC[C@H](CN(C)C(=O)CCc2cn[nH]c2)C1 244773795 PGRJLZDDKCRLNV-CQSZACIVSA-N 278.400 1.531 0 50 CDAA CSCc1noc(CN(C)Cc2cc(C)on2)n1 252484871 GJUBSQDKZYDULJ-UHFFFAOYSA-N 268.342 1.861 0 50 CDAA CC1(C)CN(C(=O)[C@H]2C[C@H]3CC[C@H]2O3)CCS1 343091155 CMEFSOCUBVAOSS-OUAUKWLOSA-N 255.383 1.908 0 50 CDAA O=C(CCC(F)(F)F)N[C@H]1COC[C@@H]1N1CCCCC1 534578186 OQHHSRDOZFXQKF-QWRGUYRKSA-N 294.317 1.698 0 50 CDAA CC/C=C/CC(=O)N[C@@H](c1ncnn1C)C(C)C 534641774 VDZXHGLRRHNTQG-NNNHXZLVSA-N 250.346 1.985 0 50 CDAA C[C@@H](CN1CCc2ccccc2C1)NCCn1ccnn1 534638679 ICYUVQLWTMLUPW-AWEZNQCLSA-N 285.395 1.315 0 50 CDAA Cc1ncsc1CCNC(=O)N1CCSCC1 295482383 MRHSPNQQANXUTK-UHFFFAOYSA-N 271.411 1.752 0 50 CDAA CC(C)c1nc(CCNC(=O)Cc2ccccn2)no1 299786629 XBXNGSFRDNXDHX-UHFFFAOYSA-N 274.324 1.489 0 50 CDAA COC(=O)[C@@H]1CCN1c1cncc(Br)c1C=O 725345596 SPRZTFCNCPIXSN-VIFPVBQESA-N 299.124 1.408 0 50 CDAA CC[C@H](C(=O)NCCCn1ccnc1)N(C)CC 822555094 QBHMKZMZURSTOH-GFCCVEGCSA-N 252.362 1.120 0 50 CDAA C[C@@H](NC(=O)c1ccccc1-c1nc[nH]n1)c1nncn1C 828184163 IZSYNWLGSYZLHF-SECBINFHSA-N 297.322 1.091 0 50 CDAA CCCCn1nc(C)nc1CN1CCN(CC)CC1 670451586 ZNGSVOJEXYKMQQ-UHFFFAOYSA-N 265.405 1.524 0 50 CDAA CSCCC(=O)N[C@H]1CC(=O)Nc2ccccc21 584893448 CTRURNPBUFSXNV-NSHDSACASA-N 264.350 1.939 0 50 CDAA CN(C(=O)C1(Oc2ccccc2)CC1)c1cn[nH]c1 1345235949 RIBZWWHTGKQPJC-UHFFFAOYSA-N 257.293 1.984 0 50 CDAA O=C([C@H]1NCC12CCCC2)N1CCC(CCO)CC1 1340470749 WMSMWNMFTRWRCM-CYBMUJFWSA-N 266.385 1.140 0 50 CDAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-c2cn[nH]c2)cc1 1521260115 CTXKRFITFAGKBP-XHDPSFHLSA-N 283.331 1.744 0 50 CDAA Cc1nocc1C(=O)Nc1cn(C)nc1C(F)F 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CC(=O)c1cccc(CNC(=O)[C@@H]2CCCOC2)c1 408518305 ZMQKTOVXHONIIS-CQSZACIVSA-N 261.321 1.932 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CO[C@@H](CO)C2)C1 95698552 QFZWHSBESNSOMV-RISCZKNCSA-N 271.357 1.785 0 50 CDAA in-vitro O=C(O)[C@H]1CCCN(C(=O)Nc2cnc(C3CC3)nc2)C1 630560189 AHDRXSXUTHRXCA-JTQLQIEISA-N 290.323 1.683 0 50 CDAA CC(C)c1nc(C(=O)NCCc2ccnn2C)cs1 185865509 XQNQBEWNHZAKKH-UHFFFAOYSA-N 278.381 1.973 0 50 CDAA c1cc(CNC[C@H]2CCc3nccn3C2)c2c(c1)OCO2 275700353 XMVJCLOGRQVJTK-GFCCVEGCSA-N 285.347 1.964 0 50 CDAA CCOC(=O)c1cc(NC(=O)[C@H]2C[C@]2(C)CC)[nH]n1 170593682 IPHAULFKZKTFEX-OQPBUACISA-N 265.313 1.961 0 50 CDAA OC[C@]1(NC2CCN(Cc3ccccc3)CC2)CCOC1 186650244 RXRCMIWNOFYDQK-QGZVFWFLSA-N 290.407 1.392 0 50 CDAA Cc1nc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)no1 170613502 NEIBVYBYJKEGET-UHFFFAOYSA-N 298.306 1.136 0 50 CDAA CN(C)C(=O)OCCOc1ccc(-n2cccn2)cc1 170608209 ROFYPANBOZPUGF-UHFFFAOYSA-N 275.308 1.949 0 50 CDAA CCn1c(S)nnc1CNC(=O)[C@@H]1CCCS1 170644181 BUHNXELWISMXNJ-ZETCQYMHSA-N 272.399 1.099 0 50 CDAA Cc1nnc(CC(=O)N2C[C@@H](C)Oc3c(F)cccc32)o1 187377356 QVKAGSVGMUDFRF-MRVPVSSYSA-N 291.282 1.874 0 50 CDAA NC(=O)[C@H]1CC[C@H]1C(=O)Nc1cccc(C2CC2)n1 576956371 BLAJMKHFJSWXFC-VHSXEESVSA-N 259.309 1.409 0 50 CDAA CC[C@H](C(=O)O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 191417579 JDVDHKZKFUBYIH-VXGBXAGGSA-N 284.400 1.724 0 50 CDAA O=C(CCc1cncnc1)N[C@@H]1CCc2cc(O)ccc2C1 646068744 ANXBGLXKJSHPII-OAHLLOKOSA-N 297.358 1.789 0 50 CDAA CCCCNC(=O)[C@@H](C)N1C[C@H](C)N(CC)[C@H](C)C1 585116119 HRPZFKXUQZLWMC-HZSPNIEDSA-N 269.433 1.706 0 50 CDAA CN1CC[C@H](NC(=O)c2cccc(F)c2Cl)CC1=O 194208939 AWKVUGUWJKKHKG-QMMMGPOBSA-N 284.718 1.830 0 50 CDAA CCc1oc(C(=O)N2CCOC[C@@]23CCOC3)cc1C 194406762 TVSQNGONKARPOR-HNNXBMFYSA-N 279.336 1.782 0 50 CDAA C[C@@H](CO)C1CCN(c2ncnc3[nH]ccc23)CC1 651431095 KSSMEQFBTOXVQC-JTQLQIEISA-N 260.341 1.803 0 50 CDAA COc1cc(CCNC(=O)[C@]2(C)CCCNC2)ccc1F 195555082 QFGOYTSMAAZEES-MRXNPFEDSA-N 294.370 1.883 0 50 CDAA Cc1cccc(NC(=O)N2C[C@@H](O)C[C@@]2(C)CO)c1 698199969 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Cc1cc(C(F)(F)F)cc(=O)n1CC(=O)N(C)C 95364070 AIEGSPLVOAABOP-UHFFFAOYSA-N 262.231 1.264 0 50 CDAA CC(C)[C@]1(O)CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1C 91713479 AJBNVXQWOWPARG-MEBBXXQBSA-N 277.368 1.377 0 50 CDAA O=C(NCCCn1ccnn1)Nc1ccc2c(c1)OCO2 96167083 PAMATGFHBCDQAO-UHFFFAOYSA-N 289.295 1.219 0 50 CDAA Cc1n[nH]nc1C(=O)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244882661 XWAUYGIGFFOMOC-MBNYWOFBSA-N 286.335 1.355 0 50 CDAA O=C(c1cnc2ccccc2c1)N1CCOC[C@]12CCOC2 297064027 KZJMNFWIDUAKSB-QGZVFWFLSA-N 298.342 1.866 0 50 CDAA O=C(c1csc(-c2ncccn2)n1)N1C[C@H]2C[C@H]2C1 628505355 DSKNAWBOKLQMEU-DTORHVGOSA-N 272.333 1.692 0 50 CDAA CC(C)c1nc(CN[C@@H](C)CCn2cccn2)no1 821181599 DHIIGRFQIHOOFP-NSHDSACASA-N 263.345 1.958 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)c1cncc(O)c1 584891177 KENYZMNRVBOIAX-SECBINFHSA-N 275.312 1.280 0 50 CDAA Cc1cc(C(=O)N2CCC3(CCN(C)C3)CC2)c(O)cn1 584894164 KNNRYRBPRQGDER-UHFFFAOYSA-N 289.379 1.654 0 50 CDAA Cc1cc(CNC(=O)c2c[nH]c(=N)s2)cnc1C 584888925 WJSNWMWEJWMTEX-UHFFFAOYSA-N 262.338 1.498 0 50 CDAA O=C(CCC(F)(F)F)N1C[C@H](O)[C@@H](N2CCCCC2)C1 584897808 JJZHSBMZTSLEBG-QWRGUYRKSA-N 294.317 1.387 0 50 CDAA CC(=O)c1ncc(C(=O)NCc2csc(N)n2)s1 670461366 JJCNHTSQGBALEV-UHFFFAOYSA-N 282.350 1.314 0 50 CDAA Cc1cn2cc(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)ccc2n1 1074600171 ZCOSSRNAPFXETD-YNEHKIRRSA-N 271.320 1.550 0 50 CDAA COc1cc2c(cc1CN[C@H](C)CCN(C)C)OCCO2 670468126 CUUNBYKESIZGEX-GFCCVEGCSA-N 294.395 1.896 0 50 CDAA CO[C@@](C)(C(=O)O)C(=O)Nc1cc(C(C)(C)C)nn1C 1350424550 WLEYTEJIKGGXES-CYBMUJFWSA-N 283.328 1.146 0 50 CDAA CC[C@]1(C(=O)O)CCCN(c2nccc(OC)n2)C1 62874950 XNZFIRRNJDWOPO-ZDUSSCGKSA-N 265.313 1.566 0 50 CDAA NS(=O)(=O)c1ccc(-c2ccncc2)c(F)c1 952978594 BEOAXPCQWHKBBE-UHFFFAOYSA-N 252.270 1.535 0 50 CDAA N[C@@H](c1ccsc1C(F)(F)F)C1(O)CCNCC1 958528561 QSQRAYAXHJMYHX-QMMMGPOBSA-N 280.315 1.881 0 50 CDAA CC(C)=CCN1CCC(CNC(=O)[C@H]2CCOC2)CC1 952961858 DFUDSZFWQNKOJR-HNNXBMFYSA-N 280.412 1.817 0 50 CDAA CC(C)N1C[C@H]2CN(C(=O)NC(C)(C)C)C[C@@]2(C(=O)O)C1 1565530156 DDIOMSWUCWPNAT-NHYWBVRUSA-N 297.399 1.221 0 50 CDAA O=C(c1ccccc1O)N1CCC(Cc2ncon2)CC1 1471970797 SOGVANCHMQXENY-UHFFFAOYSA-N 287.319 1.870 0 50 CDAA Cc1cnc(N2CCC[C@H](CN3CCOCC3)C2)nc1C 301920863 XHFDOPKUPBPCBZ-OAHLLOKOSA-N 290.411 1.642 0 50 CDAA CCn1cccc(CNC(=O)[C@@H]2CCCO[C@H]2C)c1=O 408473756 SZJAYCGVGAFMFI-WCQYABFASA-N 278.352 1.300 0 50 CDAA Cc1c[nH]nc1C(=O)N1CCOC2(CCCCC2)C1 408515704 CRXOAEQYLDLKGN-UHFFFAOYSA-N 263.341 1.893 0 50 CDAA CCO[C@H]1C[C@@H](N(C)S(=O)(=O)C2CC2)C1(C)C 169998612 OBCKWDWIGSXNDN-MNOVXSKESA-N 261.387 1.614 0 50 CDAA CN[C@@H](C)CCNC(=O)c1c(C(C)C)nn(C)c1Cl 170677043 CSARDABBEREUGL-VIFPVBQESA-N 286.807 1.925 0 50 CDAA C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)C(=O)O 577225661 UDDISPVKUYTSQL-QMMMGPOBSA-N 268.288 1.342 0 50 CDAA CCO[C@@H]1C[C@](CO)(NC(=O)Cc2ccsc2)C1(C)C 188883397 GHHNSXAPEHRVCC-IUODEOHRSA-N 297.420 1.973 0 50 CDAA O=C(Cc1ccc(Cl)cc1)NC[C@H]1CCC(=O)O1 585131245 PRQLQPYIOPUUGH-LLVKDONJSA-N 267.712 1.704 0 50 CDAA O=C(CCc1cccc2c1OCO2)NC[C@@H]1CC[C@@H](O)C1 191177964 IBAMFXWBOYQIBL-DGCLKSJQSA-N 291.347 1.625 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2ccc(C)n2C)C1(C)C 191739181 ZDBMGGXVBCYHNL-XJKSGUPXSA-N 294.395 1.629 0 50 CDAA Cc1nc(C(=O)N2CC[C@@H](CN(C)C)C2)ccc1C(=O)O 738340171 NNRCOLVMXFGBPR-NSHDSACASA-N 291.351 1.112 0 50 CDAA Cn1c(CC(F)(F)F)nnc1N1CC[C@@]2(CCOC2)C1 647347935 XOWPOJIRGMQAHA-LLVKDONJSA-N 290.289 1.537 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)NCc1ccccc1-n1ccnc1 194282187 FTOKZARFBVMPTQ-UKRRQHHQSA-N 285.347 1.914 0 50 CDAA CCCc1cc(N(C)Cc2ccc(N)nc2)n2ncnc2n1 195572328 SKMVAMKYQNBAND-UHFFFAOYSA-N 297.366 1.690 0 50 CDAA NC(=O)[C@H]1CCCN1C(=O)c1ccc(C(F)F)nc1 655130465 GWFQFKOWLXHDBK-SECBINFHSA-N 269.251 1.109 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1cn(C)nc1C 758453427 FAVYQLNYLBQKDV-CMPLNLGQSA-N 251.330 1.872 0 50 CDAA CSc1nc(N)cc(N(C)Cc2cnn(C)c2C)n1 1506424183 ZIRRBNZOJAMEIZ-UHFFFAOYSA-N 278.385 1.459 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CC(C2CC2)C1 1615590154 ZJKMBKRHUDUPQH-HUUCEWRRSA-N 271.364 1.663 0 50 CDAA Cn1cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1616035773 GLDZHBMIDFFJPP-JTQLQIEISA-N 266.345 1.930 0 50 CDAA CCc1nsc(N[C@@H]2CNc3c(c(C)nn3C)C2)n1 1616025227 XGNSPHJDDFNWKL-QMMMGPOBSA-N 278.385 1.591 0 50 CDAA C1CSCC(N2CCN(CC3CC3)CC2)CS1 1506430400 ZZTMHBDKGPZSPA-UHFFFAOYSA-N 272.483 1.863 0 50 CDAA COCCc1nc(CNC2CSCCSC2)no1 1506404059 FOMMEGANUDZSIO-UHFFFAOYSA-N 289.426 1.197 0 50 CDAA Cc1cc(C)n(C[C@@H](C)N(C)CC2(C)COC2)n1 1506420528 HLZQCHSQWJBEAN-CYBMUJFWSA-N 251.374 1.857 0 50 CDAA CNC[C@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 111189056 MNBQZSURIZHWTP-TZMCWYRMSA-N 274.364 1.621 0 50 CDAA Cc1ocnc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529101863 POKNXSJKAIGLJU-CHWSQXEVSA-N 287.319 1.366 0 50 CDAA C[C@H](OCC(F)(F)F)C(=O)N1CC[C@](C)(C(=O)O)C1 237561581 AFWQLTIXMQZXIF-XVKPBYJWSA-N 283.246 1.277 0 50 CDAA Nc1ccn2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)c2c1 1615544301 ANQPHGSAJMMXEK-GXTWGEPZSA-N 286.335 1.310 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(Cl)cn1C 344661528 BMWHEDZPUBGTFT-WDEREUQCSA-N 286.759 1.554 0 50 CDAA CCC(CC)C(=O)N1C[C@H](OC)C[C@H]1c1nncn1C 345019404 TUMUOAKWAURXTI-NEPJUHHUSA-N 280.372 1.540 0 50 CDAA CCOc1ncccc1C(=O)NCc1[nH]nc2ncccc12 1772815426 QNXUDLJLFHOLJU-UHFFFAOYSA-N 297.318 1.682 0 50 CDAA CN(C)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 12031634 ZPSPJBPNECTHMD-HNNXBMFYSA-N 298.333 1.380 0 50 CDAA COCCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 12138356 FGEBSIIHSYPZMA-UHFFFAOYSA-N 288.303 1.908 0 50 CDAA CC1=C[C@H](C)[C@H](CNCCN2CCNCC2)[C@@H](C)C1 19771013 VYWIPLBVFRKSKW-JYJNAYRXSA-N 265.445 1.720 0 50 CDAA C1CCC(CN[C@H]2CCCOC2)(N2CCOCC2)CC1 154181863 HXQJAFREYRDKKD-HNNXBMFYSA-N 282.428 1.790 0 50 CDAA CC(=O)Nc1ccc(Br)cc1S(C)(=O)=O 157895296 IJCCMGZXIAJZJD-UHFFFAOYSA-N 292.154 1.811 0 50 CDAA c1ccc([C@H]2COC[C@H]3CN(c4cnccn4)CCN23)cc1 1857733778 YDCPTQYOMKDHKT-HZPDHXFCSA-N 296.374 1.739 0 50 CDAA O=C(NC(=S)NC[C@H]1CCCO1)c1ccccc1F 472560 SPSDGCRZRPQEEF-SECBINFHSA-N 282.340 1.609 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2 217347331 FFNNGZCWWSPFHR-FJJYHAOUSA-N 289.262 1.197 0 50 CDAA in-vitro CCOc1cc(C(=O)NC[C@H]2CN(C)CCO2)ccc1C 113159820 KUYQFTAEJHNIOH-AWEZNQCLSA-N 292.379 1.454 0 50 CDAA CC1(C)CCC(NC(=O)c2ccc3nnnn3c2)CC1 532335067 BKVSYVIQUIFGNU-UHFFFAOYSA-N 273.340 1.823 0 50 CDAA Cc1cccc(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)c1 333508364 TXIOHRCLRZXIKI-NSHDSACASA-N 292.364 1.291 0 50 CDAA CCCn1nc(C)c(C(=O)N2CCC[C@H](C(=O)O)C2)c1C 128550403 VTHUSHFQZFACEQ-LBPRGKRZSA-N 293.367 1.847 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1CCCN1Cc1ccccc1 238173971 IFLHFLFPEILSKZ-ZDUSSCGKSA-N 276.336 1.242 0 50 CDAA Cc1noc(CCNC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)n1 247359170 HGYNVWWEEAVRPZ-XZPDDHLCSA-N 261.325 1.329 0 50 CDAA C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCCc2ccccn2)C1 585085861 HCOMLFWZNRQLIJ-FZMZJTMJSA-N 284.363 1.830 0 50 CDAA CCN1CCCC[C@H]1CN=c1[nH]c(SC)ncc1CO 585092500 AXTRESMNYFTWPN-LBPRGKRZSA-N 296.440 1.399 0 50 CDAA C[C@@H]1OC[C@@H](NCc2nncn2-c2ccccc2)[C@H]1C 585117589 MBONKBOJZTUFAQ-SGMGOOAPSA-N 272.352 1.780 0 50 CDAA Cc1cc(C(=O)NCC[S@](=O)C(F)(F)F)ns1 585131171 NQKKJJCHOAGDRW-KRWDZBQOSA-N 286.300 1.450 0 50 CDAA COc1cccnc1N(C)C(=O)c1c2c(nn1C)CCC2 904039591 WYCXWPUZOSUMRF-UHFFFAOYSA-N 286.335 1.589 0 50 CDAA Cc1ccc(F)cc1C1(c2noc(C(N)=O)n2)CC1 904074993 WCJGIFLRKXQNRV-UHFFFAOYSA-N 261.256 1.696 0 50 CDAA CC(C)Cc1nc(C(=O)Nc2nnnn2C)cs1 904199077 FLRGAMOIOVCBKT-UHFFFAOYSA-N 266.330 1.117 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cncc(Cl)c1)C2 1704312815 ZTZUVZWDGPKZOT-GWCFXTLKSA-N 295.770 1.138 0 50 CDAA Cn1cnc(CN[C@@]2(CO)CCOc3ccccc32)c1 808411596 DILQSZWNVUPITL-OAHLLOKOSA-N 273.336 1.180 0 50 CDAA C=CC(=O)N1CCN(CC(F)(F)C(F)F)CC1 820437013 YSUYMQSBDOVWAD-UHFFFAOYSA-N 254.227 1.217 0 50 CDAA Cc1ccc([C@H](NC[C@@H](O)CO)c2ccccn2)cc1 930278089 DAZHVDVDJKRMNP-ZBFHGGJFSA-N 272.348 1.422 0 50 CDAA C[C@H](CN1CCC(c2ncco2)CC1)S(C)(=O)=O 931446898 WJEVOALQQMOSBE-SNVBAGLBSA-N 272.370 1.287 0 50 CDAA C[C@H]1C[C@@H](C(=O)Nc2nccn2C2CC2)CCN1C 839939703 ONBRAKHUJXVZSA-QWRGUYRKSA-N 262.357 1.887 0 50 CDAA CC[C@H](C)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 11871593 GXZATVOZJBKBGI-HZMBPMFUSA-N 267.373 1.343 0 50 CDAA O=C1OCCN1CC(=O)N1CCC[C@@H]1c1cccnc1 873873984 GASJKVAWLMHMNE-GFCCVEGCSA-N 275.308 1.197 0 50 CDAA Cn1cc(NCc2n[nH]cc2Br)cn1 1875288381 ZCYCSLCGJNUMJA-UHFFFAOYSA-N 256.107 1.518 0 50 CDAA CO[C@@H]1[C@@H](C)[C@H](N=c2ncnc3[nH][nH]c(C)c2-3)C1(C)C 1875294620 KTVVBIGUULAMRA-BKDNQFJXSA-N 275.356 1.506 0 50 CDAA CC(C)CN(CCO)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875297213 HGJUVGVWRQKSRN-WDEREUQCSA-N 295.383 1.522 0 50 CDAA O=C(NCC1CCOCC1)C1(c2cc[nH]n2)CCOCC1 1875320227 LTOGPQBLZDGDNM-UHFFFAOYSA-N 293.367 1.001 0 50 CDAA COC(=O)/C=C/CNC(=O)Cc1cc(Cl)ccc1OC 1875311755 MMAHYHCVVWOOJE-ONEGZZNKSA-N 297.738 1.737 0 50 CDAA Cc1cc(=O)c2cc(NC(=O)[C@]3(N)CC3(C)C)ccc2[nH]1 1875315344 PVAPACMXNXEOIF-MRXNPFEDSA-N 285.347 1.902 0 50 CDAA Cn1c(=NCCc2cc(C3CC3)on2)[nH]c2ccncc21 1875310313 MELVDOXCCUCSDP-UHFFFAOYSA-N 283.335 1.910 0 50 CDAA CN1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccoc1 887268266 GYLFBPIWNNXMMB-WDEREUQCSA-N 270.354 1.137 0 50 CDAA CC(C)N1CC[C@H](NC(=O)c2ccc(C(=O)O)s2)C1=O 236832473 IWCVDBWDWRUCBL-QMMMGPOBSA-N 296.348 1.185 0 50 CDAA COc1cc(N2CCC[C@@](O)(C(F)(F)F)CC2)ncn1 286350923 LKLBMMBGWKQMTR-NSHDSACASA-N 291.273 1.769 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CCO1 179234502 BANZZCACAJQPOB-SNVBAGLBSA-N 291.294 1.514 0 50 CDAA CCC(N)(CC)CNC(=O)c1cccc(C(=O)O)c1 563231571 IMKMPUYXPJYJCG-UHFFFAOYSA-N 264.325 1.632 0 50 CDAA O=C(CN1CCC[C@@H]2COCC[C@@H]21)N1CCCCC1 334618567 RRPRJHGLDNMNEL-KGLIPLIRSA-N 266.385 1.500 0 50 CDAA COc1cccc(CN2CC[C@H](CC(N)=O)C2)c1F 368133729 KHEXZDNFDPEFMP-SNVBAGLBSA-N 266.316 1.532 0 50 CDAA Nc1nc(Cl)[nH]c2ncc(I)c1-2 953057347 SOWBUZGUVMBXGK-UHFFFAOYSA-N 294.483 1.750 0 50 CDAA N=c1[nH]nc(-c2ccc(I)o2)s1 1857796567 IBJAGHCJXOAGSP-UHFFFAOYSA-N 293.089 1.815 0 50 CDAA Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)c1 4722389 GYAFHSCHXFAWQX-NSHDSACASA-N 285.307 1.417 0 50 CDAA Cc1c(C(=O)NCC2=NOCC2)oc(=O)c2ccccc12 2325782037 QCVNUVDUPDCKJP-UHFFFAOYSA-N 286.287 1.608 0 50 CDAA COc1ccc(C)c(OC)c1CNC[C@@]1(C)COCCO1 2325788446 HBQPTRWKRGHLQA-INIZCTEOSA-N 295.379 1.907 0 50 CDAA CC(C)(F)C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 2325793227 LUISYFZBOQYTFC-UHFFFAOYSA-N 281.331 1.876 0 50 CDAA O=C(O)CNC(=O)c1ccc(Br)cc1 162547 PTMXKRQZWGCWGZ-UHFFFAOYSA-N 258.071 1.264 0 50 CDAA CC(C)(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 258587 VJIXETOKRVCSEX-UHFFFAOYSA-N 296.392 1.890 0 50 CDAA CCOC(=O)[C@H]1C(=O)OC2(CCCC2)[C@@H]1C(=O)OCC 306588 AYZLVVNNSNFGQM-UWVGGRQHSA-N 284.308 1.215 0 50 CDAA CCn1nnc(NC(=O)COc2ccc(C)cc2C)n1 557352 DFAFFLWBQPWXPG-UHFFFAOYSA-N 275.312 1.327 0 50 CDAA O=C(CS(=O)(=O)c1ccccc1)Nc1ccccc1O 1071921 NTAMMPRPFXHBCE-UHFFFAOYSA-N 291.328 1.805 0 50 CDAA N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)O 2516136 OAORYCZPERQARS-VIFPVBQESA-N 283.125 1.885 0 50 CDAA in-vitro CC(=O)OCCCCN1C(=O)c2ccccc2C1=O 3131083 DRHCLCUEKCNWRZ-UHFFFAOYSA-N 261.277 1.626 0 50 CDAA COc1ccccc1C1=NO[C@@H](C(=O)N2CCCC2)C1 6738347 GGRQVEWNQNKSTR-CQSZACIVSA-N 274.320 1.811 0 50 CDAA CCc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1 10334190 XRFKCNYMVCFGII-UHFFFAOYSA-N 288.391 1.906 0 50 CDAA O=C(NCC(=O)N1CCCC1)[C@H]1C[C@@H]1c1ccccc1 411246460 RGNWPJQVEVPETE-KGLIPLIRSA-N 272.348 1.529 0 50 CDAA Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1N 8584526 YEICHOBCEQKGNQ-UHFFFAOYSA-N 252.277 1.755 0 50 CDAA CC[C@H](CO)N(Cc1cccnc1)C(=O)c1ccc[nH]1 55384411 CPBGIIMJHIQDGA-CYBMUJFWSA-N 273.336 1.823 0 50 CDAA CC(C)Cn1ncnc1CN(CCO)[C@H]1CCCSC1 225518826 XKGLJDAFEMGUKS-ZDUSSCGKSA-N 298.456 1.624 0 50 CDAA C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1)c1ccccc1 225517818 GKMPVGMMODROHF-AAEUAGOBSA-N 260.337 1.575 0 50 CDAA C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)c1ccccc1 225517857 GKMPVGMMODROHF-DGCLKSJQSA-N 260.337 1.575 0 50 CDAA CC1(CNS(=O)(=O)c2ccc3c(c2)CCCC3)COC1 112708417 GOWDFDGXPRVADE-UHFFFAOYSA-N 295.404 1.880 0 50 CDAA CC(C)NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 59739961 IEADVYIYMAMIPA-NSHDSACASA-N 254.374 1.796 0 50 CDAA CCn1ncnc1-c1nccn1Cc1cccnc1 67974286 ISRFTPAYTVEVJG-UHFFFAOYSA-N 254.297 1.605 0 50 CDAA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1nccs1 101327718 IYGBPWXPTHMPIX-WUNNTHRKSA-N 264.306 1.279 0 50 CDAA O=C(CCCOc1cccc(F)c1)N1C[C@H](F)C[C@@H]1CO 347413706 QYVHZDJSMYRVRE-CHWSQXEVSA-N 299.317 1.916 0 50 CDAA Nc1ccnc(CN2CC[C@H](CNc3ccccn3)C2)n1 135091690 FSASLSDXFGUAJV-GFCCVEGCSA-N 284.367 1.388 0 50 CDAA CCc1cnc(C)nc1NCc1nc(COC)no1 65527782 QGAJYFGJZYCULD-UHFFFAOYSA-N 263.301 1.489 0 50 CDAA CCn1nc(C)c(CN2CCN(C)[C@@H](CCO)C2)c1C 20453358 JEQIMUDBQHGGEB-AWEZNQCLSA-N 280.416 1.018 0 50 CDAA Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)s1 301407074 VLIOGCJFJUIZAT-LBPRGKRZSA-N 282.413 1.395 0 50 CDAA O=S(=O)(CC1CCCC1)N1CCN(CC2CC2)CC1 178306648 HGJXBJGVOQGYGV-UHFFFAOYSA-N 286.441 1.534 0 50 CDAA CC(C)N1CCC[C@H](CNC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 251534060 AYTGLUPFDHSUPD-RBSFLKMASA-N 297.443 1.926 0 50 CDAA CCc1cc(-c2cccnc2)nc(N2CCOCC2)n1 32561013 RJTYTIPQNWTGLL-UHFFFAOYSA-N 270.336 1.938 0 50 CDAA COc1ncccc1-c1ccc(CN2CCN(C)CC2)cn1 65370554 KCMMQGAYKWNMDI-UHFFFAOYSA-N 298.390 1.900 0 50 CDAA 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CC(C)c1cc(CN(C)CC(=O)NC[C@H]2CCCO2)on1 252502781 USYQUTLXLZXOPY-GFCCVEGCSA-N 295.383 1.525 0 50 CDAA CN1C[C@@H](C(=O)NCc2ccc[nH]2)[C@H](C(F)(F)F)C1 299746798 ZVWGSKMJNCISIA-NXEZZACHSA-N 275.274 1.371 0 50 CDAA COc1cccc([C@H](C)N2CCC([C@H](O)C(N)=O)CC2)c1 299751629 RBUKECBLLGBQTI-NHYWBVRUSA-N 292.379 1.314 0 50 CDAA OCC1(CNCc2c[nH]nc2-c2cccnc2)CCC1 184366295 YXPXVOCXFUYLBA-UHFFFAOYSA-N 272.352 1.724 0 50 CDAA COc1cc(C(=O)N[C@H](C)c2ncc(C)[nH]2)ccn1 534673774 VFMDFXNCPPEWMM-SECBINFHSA-N 260.297 1.613 0 50 CDAA O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cncn1 261490684 WZWHYDOLUHLHGC-UHFFFAOYSA-N 278.120 1.822 0 50 CDAA CN(C)c1ncc[nH]c1=NCC1(CN2CCCC2)CC1 534581066 XTSTUSZPTJFPGU-UHFFFAOYSA-N 275.400 1.252 0 50 CDAA CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(C)C 261361086 HAHZIGSUKSJAFM-VHSXEESVSA-N 275.345 1.460 0 50 CDAA Cc1cnn([C@H](C)CNS(=O)(=O)CC(C)C)c1 534670164 XGLUVFHZUGMKCO-LLVKDONJSA-N 259.375 1.328 0 50 CDAA CCN1CCC[C@@H](CN(C)C(=O)c2cncnc2)C1 299775525 KFKTYCGOGMTUIG-LBPRGKRZSA-N 262.357 1.281 0 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CCCn1ncc(C)c1NC(=O)CN(C)C(C)C 1506415690 ZKXPSHZTPBHTEJ-UHFFFAOYSA-N 252.362 1.880 0 50 CDAA NC(=O)c1ccnc(NCCCC[C@H]2CCCO2)c1 1506404065 RTDJREJMLOGUSZ-LBPRGKRZSA-N 263.341 1.942 0 50 CDAA COc1nc(N(C)CCN(C)C2CCCC2)ncc1F 1529171845 DSRLAXZBXFPRDO-UHFFFAOYSA-N 282.363 1.935 0 50 CDAA O=C(c1ccc(N2CCCCC2)cc1)N1C[C@H](O)CO1 1857685440 JPRYKXNMCVAIQC-AWEZNQCLSA-N 276.336 1.425 0 50 CDAA COc1nc(-c2ccc3c(c2)CN(C)C3=O)nn1C 1875251183 PVXLQQHGOALIFE-UHFFFAOYSA-N 258.281 1.076 0 50 CDAA COC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 385869 YNIPPRDEXJUZDV-NSHDSACASA-N 263.293 1.217 0 50 CDAA in-vitro Cn1nc2c(c1C(=O)O)CN(C(=O)OC(C)(C)C)C2 212479554 PNZQOYQFFIKBLM-UHFFFAOYSA-N 267.285 1.369 0 50 CDAA CC(C)(C)OC(=O)c1ccc(C[C@H](N)C(=O)O)cc1 2244318 KDWYFVGLKNKOMV-NSHDSACASA-N 265.309 1.596 0 50 CDAA in-vitro CC1(C)CN(Cc2cnn[nH]2)C[C@@H](C(F)(F)F)O1 451057557 UBCLPMXEWUIYLO-QMMMGPOBSA-N 264.251 1.346 0 50 CDAA COC[C@H](C)NC(=O)CN1CC[C@@H](c2ccccc2)C1 229203373 XGCLLRUKJOFHBA-DZGCQCFKSA-N 276.380 1.627 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C(C)C)C(F)(F)F 861998905 NDWMOXGKXKYPPH-SNVBAGLBSA-N 266.263 1.334 0 50 CDAA CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccncc2)C1 246442870 BMDSSSDLQHDZCX-KBPBESRZSA-N 259.353 1.638 0 50 CDAA CC(C)n1ccc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1 247060015 KBMSDCPZJMIWMS-NEPJUHHUSA-N 287.429 1.717 0 50 CDAA COc1cc(NC(=O)c2nc[nH]n2)c(OC)cc1Cl 5729752 GRJKDPNJFNGLRL-UHFFFAOYSA-N 282.687 1.728 0 50 CDAA O=S(=O)(c1cccnc1)n1nnc2ccccc21 12958813 DFXYJMFTJONXBH-UHFFFAOYSA-N 260.278 1.063 0 50 CDAA Cc1ccc(CCNC(=O)[C@@H]2CCC(=O)N(C3CC3)C2)o1 15066314 JBGKDQYZLYPSHJ-GFCCVEGCSA-N 290.363 1.648 0 50 CDAA Cc1ccc2c(C(=O)N3C[C@@H](O)CC3(C)C)cnn2c1C 1857533049 SDBPQPVMKNUEDZ-LBPRGKRZSA-N 287.363 1.937 0 50 CDAA Cc1nc2ccccc2nc1CN1C[C@@H]2CC(=O)N[C@@H]2C1 1857675597 AUHQJXSOMYMWLX-XHDPSFHLSA-N 282.347 1.259 0 50 CDAA COc1ccc(CCNC(=O)C(=O)Nc2ccccc2)cc1 2864813 DJHGNYORZDICJU-UHFFFAOYSA-N 298.342 1.993 0 50 CDAA O=C([C@H]1CCCCO1)N1CCC(c2nnc(O)o2)CC1 332488494 YWXBRHHWVDNJIV-SNVBAGLBSA-N 281.312 1.050 0 50 CDAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(CC(=O)O)C1CC1 237456418 WVWGLZOXCZBLII-SECBINFHSA-N 293.367 1.291 0 50 CDAA O=C(O)c1cccc2c1CN(C(=O)C[C@@H]1CCOC1)CC2 649257468 LFEMOVRXHWGCOZ-NSHDSACASA-N 289.331 1.696 0 50 CDAA CCN1CCO[C@@H](CNC(C)=O)[C@@H]1c1ccccc1 345069617 IFMNYKYAMQOYDV-GJZGRUSLSA-N 262.353 1.585 0 50 CDAA COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)CC(C)C)O1 252478592 AQAZLXPLWHJHLN-LPWJVIDDSA-N 283.368 1.743 0 50 CDAA CC(C)COCCN1CCS(=O)(=O)C[C@@H](C)C1 253398405 MSLIJTSDXWKTJA-LBPRGKRZSA-N 263.403 1.026 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3ccccc3OC)n2C1 260335484 LYUTXDGFSZYTKN-JTQLQIEISA-N 287.319 1.689 0 50 CDAA CC(C)NC(=O)CN[C@@H]1CCN(Cc2ccccc2)C1 35133260 LYFXREMNPVAKFQ-OAHLLOKOSA-N 275.396 1.375 0 50 CDAA CCc1cc(N2CCNC(=O)[C@H]2C)nc(-c2ccncc2)n1 267301198 UPXWNEWCHUFTGO-LLVKDONJSA-N 297.362 1.426 0 50 CDAA COC/C(C)=C/Cn1cnc2cccc(OC)c2c1=O 901580969 XFCLPRSYXLHUTK-YRNVUSSQSA-N 274.320 1.998 0 50 CDAA Cc1cc(C2CC2)nc(NC(=O)c2cnc(N(C)C)cn2)n1 905658798 LBVKHOIPLXXTMF-UHFFFAOYSA-N 298.350 1.771 0 50 CDAA O=C(Cc1csc(C2CC2)n1)NOC1CCOCC1 822055012 JMLLOHJMIHHVRD-UHFFFAOYSA-N 282.365 1.790 0 50 CDAA Cn1cc(-c2n[nH]cc2C(=O)N2CC3(CC3)C2)cn1 926464603 WBDVTTYARIRUDT-UHFFFAOYSA-N 257.297 1.046 0 50 CDAA CCCNC(=N)NCCNC(=O)c1ccc(F)cc1 848995721 ILXAPOZTAKQDGL-UHFFFAOYSA-N 266.320 1.079 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C 1875273308 NXOGIDFCIHXSRO-FGEFZZPRSA-N 293.367 1.061 0 50 CDAA CCO[C@@H]1CCC[C@H]1Nc1ncc(Cl)c(=NC)[nH]1 1875287227 ZJSWYJWIAZYVES-NXEZZACHSA-N 270.764 1.963 0 50 CDAA CCOc1nn(C)cc1Nc1ncnc2[nH]ccc12 1875295499 ZSVSPXPJHYPBJE-UHFFFAOYSA-N 258.285 1.834 0 50 CDAA C=CC(=O)N1CCC(C(=O)Nc2cnc3ccnn3c2)CC1 1875367553 NRSVLJXDJCXAST-UHFFFAOYSA-N 299.334 1.092 0 50 CDAA C[C@H]1CCCN2C(N3CC4(CO[C@H](C)C4)C3)=NC[C@H]12 1875304054 XZVDHLCSMLCCMI-YNEHKIRRSA-N 263.385 1.567 0 50 CDAA O=C(C[C@H]1C=CS(=O)(=O)C1)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 1875308388 CUYHDSCUFVAYFW-YIYPIFLZSA-N 295.404 1.653 0 50 CDAA C[Si](C)(C)Cn1cc(CCC2(CCO)OCCO2)nn1 1875340038 JCCXJVDUFUQECL-UHFFFAOYSA-N 299.447 1.214 0 50 CDAA CN(C)C(=O)c1nc[nH]c2ncc(Br)c1-2 1875344272 AJMLFMCYJDRUFT-UHFFFAOYSA-N 269.102 1.374 0 50 CDAA Cn1cnc(C(=O)NC2(c3ccccc3)COC2)c1 888566182 JFYVLNXYJGVRSS-UHFFFAOYSA-N 257.293 1.076 0 50 CDAA O=c1c2c(Cl)cccc2cnn1C[C@H](O)C(F)(F)F 899356067 WCJLWECRJSELFQ-QMMMGPOBSA-N 292.644 1.973 0 50 CDAA CCc1ccccc1C(=O)NCC1(O)CCN(C)CC1 269540414 PSKWZPXMNPHODB-UHFFFAOYSA-N 276.380 1.436 0 50 CDAA CC(C)n1cnnc1CN(C)C[C@@H]1CCCN1C 252502611 UROYRUUVFRFIIX-LBPRGKRZSA-N 251.378 1.385 0 50 CDAA COCc1ccc(C(=O)N(C2CC2)[C@@H](C)C(=O)O)cc1 262609581 KYBNUBVJFMQIBL-JTQLQIEISA-N 277.320 1.911 0 50 CDAA CN(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1C[C@@H](C(=O)O)C1 659232447 ZXQKOCGKUIBQOG-ZIQFBCGOSA-N 251.326 1.744 0 50 CDAA Nc1ccnc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 50710411 DEJQTAUVCVWOLA-CHWSQXEVSA-N 261.325 1.447 0 50 CDAA Fc1cc(Cl)ccc1CN1CCN2CCOC[C@@H]2C1 328588364 OGCMOXLDPATRHQ-ZDUSSCGKSA-N 284.762 1.996 0 50 CDAA C[C@@]1(C(=O)O)CCCN1Cc1nc(CC(F)(F)F)no1 652480372 COAXSZXKUCETTL-JTQLQIEISA-N 293.245 1.614 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)O)C2)cc1 676869092 WFZSAMLIAUPCKH-STQMWFEESA-N 283.393 1.777 0 50 CDAA N=c1[nH]cc(C(=O)N2C[C@H]3CCC[C@@H](C3)C2)s1 584898058 MIXNQCVEZVZILG-IUCAKERBSA-N 251.355 1.818 0 50 CDAA C[C@@H]1NCC[C@@H](C)[C@@H]1NC(=O)Cc1cccc(O)c1 387947189 ALZIEVRDPMWTDR-ZETOZRRWSA-N 262.353 1.437 0 50 CDAA CSC[C@H]1CCCN(C(=O)c2cccc(N)n2)C1 394083174 SKLQAWLCIWSBSG-JTQLQIEISA-N 265.382 1.879 0 50 CDAA CCN1CCC(NCCn2cnc(C)c2C)CC1 823107053 GXEPBXGZONAIMK-UHFFFAOYSA-N 250.390 1.574 0 50 CDAA Cc1ccc(Br)c(C(=O)NC2([C@@H](C)O)CC2)n1 825678784 WHBAUZTVULHUND-MRVPVSSYSA-N 299.168 1.796 0 50 CDAA CC(C)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N 16625717 ABYWUTUUPGMLQM-UHFFFAOYSA-N 279.731 1.641 0 50 CDAA CC1(C)OCC[C@@H]1CNC(=O)c1cccn2nccc12 880755667 CSFCZPLRDZZYKU-LLVKDONJSA-N 273.336 1.879 0 50 CDAA CCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)O 174786 RFWTYMRQBJBZIB-LLVKDONJSA-N 271.338 1.359 0 50 CDAA CNC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F 306040 BEUNESBJHGFYEG-NSHDSACASA-N 263.272 1.200 0 50 CDAA COc1ccc2[nH]c3c(N4CCOCC4)ncnc3c2c1 327037 ZDHGGRZMGUSNNG-UHFFFAOYSA-N 284.319 1.956 0 50 CDAA COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2 491073 ASUTZQLVASHGKV-JDFRZJQESA-N 287.359 1.850 0 50 CDAA biogenic,fda CNC(=O)COc1ccc(Br)c(C)c1 577736 BHRXMECIERNDMD-UHFFFAOYSA-N 258.115 1.882 0 50 CDAA CCCCOc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 2812374 IOZGPSQOUIJJKI-NSHDSACASA-N 276.336 1.704 0 50 CDAA O=C(O)CCS(=O)(=O)Cc1ccccc1Cl 3032176 RTXCGMHBKBBTRG-UHFFFAOYSA-N 262.714 1.730 0 50 CDAA O=C(N[C@H](CO)CC(F)F)c1nc2c(s1)CCC2 416222844 NLIXLSREMVDKAZ-LURJTMIESA-N 276.308 1.378 0 50 CDAA CN(C[C@@H]1CCCO1)C(=O)NCCc1cccnc1 102902695 KJLJLNJGVBXALA-ZDUSSCGKSA-N 263.341 1.445 0 50 CDAA CC(=O)Nc1nc2c(Br)cccc2c(=O)[nH]1 115072525 LLSLGVNLBZYCDW-UHFFFAOYSA-N 282.097 1.644 0 50 CDAA CCN1CCN(CCOc2ccccc2C=O)CC1 23094349 ILFIJVXRLNLGLC-UHFFFAOYSA-N 262.353 1.515 0 50 CDAA Cc1nc(CCN)cc(N(C)[C@H](C)c2ccncn2)n1 67894171 XRICEXZCUUQFHY-SNVBAGLBSA-N 272.356 1.274 0 50 CDAA C[C@@H](NCC1(O)CCCCC1)C(=O)NC1CCCC1 65396480 PDLKFNXGGAGPKL-GFCCVEGCSA-N 268.401 1.719 0 50 CDAA NC(=O)CN1CCc2onc(-c3ccccc3F)c2C1 67712942 LRUWNZTZJAFGHJ-UHFFFAOYSA-N 275.283 1.324 0 50 CDAA Cc1ccc(Cl)cc1-n1c(CCN)n[nH]c1=O 65398001 RZAZQNUERPJXCM-UHFFFAOYSA-N 252.705 1.024 0 50 CDAA Cc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(N)n1 67855390 IEAYHKFFVABOPD-UHFFFAOYSA-N 284.367 1.876 0 50 CDAA O=C([C@@H]1C[C@@H]1C1CC1)N1CCOC[C@H]1c1ncon1 329467410 WNZLFERGAGDSSX-MXWKQRLJSA-N 263.297 1.016 0 50 CDAA CCOC(=O)[C@H](N)C(C(F)(F)F)C(F)(F)F 64370268 PGOSQXOLEQZPBM-GSVOUGTGSA-N 253.142 1.618 0 50 CDAA CCN(CCn1cccn1)C(=O)c1[nH]nc(N)c1Cl 216323659 CWMCKHFCCBIAGM-UHFFFAOYSA-N 282.735 1.004 0 50 CDAA Cn1cnnc1[C@@H]1CN(CCc2cccs2)CCO1 328653940 XBZMXMPLBQROIB-LBPRGKRZSA-N 278.381 1.493 0 50 CDAA OC[C@@H](CNc1nccc(C(F)(F)F)n1)[C@@H]1CCOC1 281075919 VBOPURSVWKHUSK-RKDXNWHRSA-N 291.273 1.552 0 50 CDAA CCCOC[C@H]1CCN(Cc2cc3n(n2)CCCNC3)C1 72146255 GACIHZMKKKFYTL-AWEZNQCLSA-N 292.427 1.625 0 50 CDAA c1c[nH]c2ncc(CN3CCC[C@H](N4CCCC4)C3)c-2n1 365627001 ZFTJHPDWXYOXBQ-AWEZNQCLSA-N 285.395 1.970 0 50 CDAA CC(C)Cc1n[nH]c(=NC(=O)N[C@H]2CCCNC2)s1 333211601 ZTTGCMWKTDLGPC-VIFPVBQESA-N 283.401 1.032 0 50 CDAA CCOCCC(=O)N[C@@H](C)Cn1nc(C)cc1C 76848632 WJWXKBSHUORUIP-NSHDSACASA-N 253.346 1.431 0 50 CDAA Cc1n[nH]cc1C1CCN(C(=O)[C@H]2CCCOC2)CC1 375971577 BWCSTTAZLIBLFR-ZDUSSCGKSA-N 277.368 1.851 0 50 CDAA CN(CC(=O)O)C(=O)[C@@H]1CCCN1Cc1ccccc1 237148509 OJFHFOHUHQUAIO-ZDUSSCGKSA-N 276.336 1.194 0 50 CDAA CCc1ccsc1C(=O)N1CCOC[C@H]1CC(=O)O 128274766 IWVDSUFZZSEPRN-SNVBAGLBSA-N 283.349 1.626 0 50 CDAA CN1[C@H]2CC[C@@H]1CN(Cc1cn(-c3ccccc3)nn1)CC2 72134403 MLFYKEGLHUYKTQ-DOTOQJQBSA-N 297.406 1.936 0 50 CDAA Cc1ccc(N2CCN(C[C@H](O)COC(C)C)CC2=O)o1 372104012 VGTYBDZFTAWLLN-ZDUSSCGKSA-N 296.367 1.023 0 50 CDAA C[C@@H]1c2ccccc2CN1C(=O)[C@@H]1CCCN(C(N)=O)C1 334439638 VAPFKWSDVLULLX-DGCLKSJQSA-N 287.363 1.881 0 50 CDAA Cc1n[nH]c(C)c1CN[C@H]1CCOC2(CCOCC2)C1 77356642 OYPJOLBKMLHTRS-ZDUSSCGKSA-N 279.384 1.844 0 50 CDAA O=C(Cc1ccc(F)cc1)Nc1cnccc1-n1ccnn1 377444448 AZNYGSYJPNRKFB-UHFFFAOYSA-N 297.293 1.983 0 50 CDAA CCc1ncc(CN(C)CCCn2cccn2)cn1 216227291 WMJDHNMWDJBLDH-UHFFFAOYSA-N 259.357 1.758 0 50 CDAA NC(=O)[C@@H]1CCCN1C(=O)Cc1cnc2ccccc2c1 130685271 PHWATVDSSFUGRN-AWEZNQCLSA-N 283.331 1.254 0 50 CDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)N1CCCCO1 282950836 AYOYOOVAJYFGSD-NSHDSACASA-N 294.355 1.873 0 50 CDAA Cc1nc(C)n(C2CN(c3ncnc4sccc34)C2)n1 288353410 GLBDUNAPUJDOTE-UHFFFAOYSA-N 286.364 1.961 0 50 CDAA OC[C@]1(NCCc2ccncc2)CCOc2ccccc21 289363202 JBEGJYSONTVJTC-QGZVFWFLSA-N 284.359 1.884 0 50 CDAA O=C(O)CCSc1ncc(Br)cn1 82661616 RTDQAKWFKMEKKD-UHFFFAOYSA-N 263.116 1.806 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1nc(C)c[nH]1 223502491 TZKAYHLLBOSFLB-VIFPVBQESA-N 262.317 1.211 0 50 CDAA CC[C@H](C)[C@@H](C(=O)OC)N1C(=O)c2ccccc2C1=O 49782667 OLYYRBJHDBLBAB-CABZTGNLSA-N 275.304 1.870 0 50 CDAA COc1ccccc1[C@H](CO)OC1CCOCC1 222576427 DBNLRXIWDMHQDJ-AWEZNQCLSA-N 252.310 1.924 0 50 CDAA O=C(NCc1cnc2ccccc2c1)c1ccnn1CCO 426535905 PPSKMECSRAEPMZ-UHFFFAOYSA-N 296.330 1.354 0 50 CDAA Cc1nn(C)cc1-c1ccnc(N2CCN(C)[C@H](C)C2)n1 48194420 VJOFGMBWCZPBCK-LLVKDONJSA-N 286.383 1.326 0 50 CDAA Cc1cc(C)nc(N[C@H](C)CN2CCOCC2)n1 42338298 MAVHIGSYDCRLSZ-GFCCVEGCSA-N 250.346 1.226 0 50 CDAA CCOCC(=O)N[C@@H](C(=O)O)c1cccc(C)c1 223938537 OYPFXTPKGLTJOF-GFCCVEGCSA-N 251.282 1.273 0 50 CDAA O=C(c1cccn2cnnc12)N1CCC[C@@H](c2cc[nH]n2)C1 426535400 FQIQVGBGZGZALR-LLVKDONJSA-N 296.334 1.472 0 50 CDAA Cc1cc(C)n2nc(SCc3cnn(C)n3)nc2n1 290115107 YBSWODHLJUPLJO-UHFFFAOYSA-N 275.341 1.162 0 50 CDAA CC(C)=CC[C@]1(CO)CCCN(c2ccnc(N)n2)C1 91745632 AFKHRZOJQFKAIG-OAHLLOKOSA-N 276.384 1.994 0 50 CDAA Cc1ccc2nc(C)c(C(=O)NCc3cc(O)ncn3)n2c1 426563257 QIMOMXWYMUHEPZ-UHFFFAOYSA-N 297.318 1.377 0 50 CDAA CN(C)S(=O)(=O)c1cc(C(=O)O)cc2c1CCC2 237100037 PUCIVVRRAMSHIY-UHFFFAOYSA-N 269.322 1.124 0 50 CDAA O=c1cc(N2CCCC2)cnn1CCCCCF 95374660 AGOVZYKFMFVLPV-UHFFFAOYSA-N 253.321 1.983 0 50 CDAA COC(=O)C[C@H]1CCN(c2ncc(C(C)=O)c(C)n2)C1 95371242 SZEHOLKPMLWZPH-LLVKDONJSA-N 277.324 1.377 0 50 CDAA Cc1ncc(CN2C[C@H](C(C)C)[C@@H](N(C)C)C2)n1C 91676904 JJBKTYNDGQNKSS-CABCVRRESA-N 264.417 1.747 0 50 CDAA Cc1nc(NC(=O)CN2C(=O)CCc3ccccc32)nn1C 293672733 KMLYIYFGCHACQR-UHFFFAOYSA-N 299.334 1.041 0 50 CDAA CN1CCOC[C@H](CNc2nnc(C3CCC3)o2)C1 95363585 VBKPGZONHBMZFP-SNVBAGLBSA-N 266.345 1.327 0 50 CDAA Cc1nc(-c2ncc(C(=O)N(C)C)c(O)n2)cs1 91663870 QCMWJGQRWXPJHH-UHFFFAOYSA-N 264.310 1.316 0 50 CDAA O=C(CCC1CCNCC1)Nc1nc2c(s1)COCC2 179783864 KMQIQOBFUDEILT-UHFFFAOYSA-N 295.408 1.934 0 50 CDAA COc1ccc(NC(=O)N[C@@H]2CCN(C)C2=O)cc1Cl 97475613 NIVILQSRVXYHRU-SNVBAGLBSA-N 297.742 1.701 0 50 CDAA COC[C@@H]1CCN1C(=O)c1ccc2c(c1)ncn2C 294201346 CVALYKCTTWMYGA-NSHDSACASA-N 259.309 1.434 0 50 CDAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ccnnc1 244691702 JHQVBXPUYFINBB-NTZNESFSSA-N 289.360 1.780 0 50 CDAA Cc1ccn(CCNc2cc([C@H]3C[C@@H](N)C3)nc(C)n2)n1 244874444 XBJDSOHBZVURQD-BETUJISGSA-N 286.383 1.607 0 50 CDAA C[C@H]1[C@@H](C)Nc2nc(N)nc(O)c2N1C(=O)c1ccccc1 253536323 SRBMRRQGJUYQAT-BDAKNGLRSA-N 299.334 1.614 0 50 CDAA COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H]2C=C[C@@H]1[C@H]1C(C)=C(C)[C@@H]21 253590844 KNMGUPAWWMJYRE-QSWPVVRKSA-N 276.332 1.963 0 50 CDAA COCC(C)(C)NC(=O)Cc1ccc(S(C)(=O)=O)cc1 534577252 FQIRTPCVLMWEIV-UHFFFAOYSA-N 299.392 1.174 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]1CNC[C@@H]21 536947992 SASHMSTVVLHSHB-RHYQMDGZSA-N 252.358 1.851 0 50 CDAA Cc1nn(C[C@@H](C)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c(C)c1Cl 534589082 NTGLCPDFUKEKRH-HNXYORABSA-N 297.786 1.804 0 50 CDAA CCOC(=O)Nc1cccc(NS(C)(=O)=O)c1 613926 PVBIXTFTEOYYEB-UHFFFAOYSA-N 258.299 1.627 0 50 CDAA CCOCCNC(=O)N1CCC[C@@H](c2ccncn2)C1 374504883 LOZWLLPNNJNIIG-GFCCVEGCSA-N 278.356 1.402 0 50 CDAA Cc1nnc(NC(=O)c2ccc3c(n2)N(C)CC3)nc1C 1940195581 ZGBDKQPBRMJRGB-UHFFFAOYSA-N 284.323 1.128 0 50 CDAA O=C(O)c1ccc(N2CCC[C@H](c3cc[nH]n3)C2)nn1 649386479 NCIYCBXERUQJRG-VIFPVBQESA-N 273.296 1.282 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1cc(O)ccc1N 828909170 SFRKDTQQTPHBOW-SECBINFHSA-N 289.339 1.638 0 50 CDAA OC[C@@H](CN=c1[nH]ccnc1Cl)Cc1ccc(F)cc1 585139225 JPUHZBVWLLBSFK-LLVKDONJSA-N 295.745 1.954 0 50 CDAA CC(C)C(=O)N1CCC[C@H](N=c2cc[nH]cc2F)C1 584894352 ACVGPBZNJIFKOJ-NSHDSACASA-N 265.332 1.702 0 50 CDAA CC[C@H]1CCCN(C(=O)CCCS(N)(=O)=O)CC1 906725673 PFWOXUINWYHGQH-NSHDSACASA-N 276.402 1.094 0 50 CDAA Cc1[nH]c(=N)sc1CC(=O)NC[C@H]1CCCCN1C 584903817 IPJSXFYIHJSJIP-SNVBAGLBSA-N 282.413 1.007 0 50 CDAA Cc1cc(C(=O)N2CCO[C@H](C3CC3)C2)cnc1C 584884111 RWTQVVKHWQXHGY-AWEZNQCLSA-N 260.337 1.949 0 50 CDAA CCCc1ncncc1C(=O)N[C@H](C)c1nncn1C 670450310 NIXXVORSLFCPNK-SECBINFHSA-N 274.328 1.049 0 50 CDAA CC(C)n1cnnc1CNC(=O)C1(Cn2ccnc2)CC1 670445467 YRPOWFHOKDZJHW-UHFFFAOYSA-N 288.355 1.152 0 50 CDAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)C1CC=CC1 670462970 GZKVXRHTKGRLCU-UHFFFAOYSA-N 291.395 1.749 0 50 CDAA CC(C)(O)[C@H](O)CN1CCOc2cccc(F)c2C1 1337691367 HMEGSXFMIGOZLN-CYBMUJFWSA-N 269.316 1.152 0 50 CDAA N[C@H]1CN(C(=O)NCCc2ccncc2)CC12CCC2 1553462722 NKBOORMRWHLGLU-ZDUSSCGKSA-N 274.368 1.147 0 50 CDAA COc1ccc(Cl)cc1S(=O)(=O)n1cnnc1 951723458 MXNWGIOBOMGTLM-UHFFFAOYSA-N 273.701 1.177 0 50 CDAA O=C(NS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2)c1ccsn1 408495801 JLYKVUHMIFGXAC-WEDXCCLWSA-N 286.378 1.391 0 50 CDAA CC(C)CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 662335764 QOBGDSQIKMRJDO-CQSZACIVSA-N 291.443 1.655 0 50 CDAA O=C(O)CCCC(=O)NCCCc1nccs1 391042141 GZJZJFDYCWCSPU-UHFFFAOYSA-N 256.327 1.447 0 50 CDAA O=C(NCCc1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169300254 ZPHBCOITRGMVGO-ZQDZILKHSA-N 285.343 1.868 0 50 CDAA NC1(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC1 170048796 JBQFMVSHFNRWJX-LLVKDONJSA-N 250.729 1.935 0 50 CDAA CCOC(=O)[C@@H]1CCC[C@@H](CN2CCOCC2)C1 170598154 VNKKVHGDFIUXRH-CHWSQXEVSA-N 255.358 1.688 0 50 CDAA Cc1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)on1 188823493 ZVEZNFQMQGBEEI-JTQLQIEISA-N 289.339 1.915 0 50 CDAA CCOc1cnc(C(=O)N2CCC[C@@H](OC)C2)cn1 189083432 AISYZWVSRLHGDO-SNVBAGLBSA-N 265.313 1.126 0 50 CDAA Cc1noc(C)c1C(=O)CS(=O)(=O)c1ccccc1 189152795 UGCPZMCUBJDXAA-UHFFFAOYSA-N 279.317 1.948 0 50 CDAA CC1(O)CCN(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)CC1 190343420 QLXWUUQNRRUEFJ-OLZOCXBDSA-N 298.427 1.994 0 50 CDAA Cc1ccc(CCC(=O)N2CCC[C@](O)(CO)C2)cc1 72145381 QUIYIAUCJBTOIO-MRXNPFEDSA-N 277.364 1.273 0 50 CDAA Cc1c(C(=O)O)c(=N[C@H](C)CCO)[nH]c2ccccc12 649391273 BOUNZGQROGHWAX-SECBINFHSA-N 274.320 1.846 0 50 CDAA C/C(=C\C(=O)N1CCOC[C@@H]1C(=O)O)c1ccccc1F 584908042 VIGXCIMJRXFMRF-AORWBKJGSA-N 293.294 1.541 0 50 CDAA COc1ncc(CCNC(=O)c2cc(C(C)C)on2)cn1 585124112 DNZHKEPUFRBNIF-UHFFFAOYSA-N 290.323 1.569 0 50 CDAA C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cnn2ccccc12 585128410 ANSYNJAMESQZFM-VXGBXAGGSA-N 289.335 1.857 0 50 CDAA CN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]2C[C@H](N)[C@@H]2C1 1615001633 YCSTYMQVGCYTSH-KYXWUPHJSA-N 264.291 1.771 0 50 CDAA N[C@@]12CCC[C@H]1CN(C(=O)c1cc3cccn3cn1)C2 1615555050 XEMIOWOKXXTPNM-XHDPSFHLSA-N 270.336 1.288 0 50 CDAA Cn1nncc1CNC(=O)c1ccc2c(c1)[C@H](CN)CCC2 1615553066 GBGWUJCUEOSRIY-ZDUSSCGKSA-N 299.378 1.124 0 50 CDAA CN(Cc1ccn(C)n1)C(=O)NC[C@@H]1CCC(C)(C)O1 1615613821 CBTXFGYGRLOJJI-LBPRGKRZSA-N 280.372 1.519 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)CCC2=NNC(=O)CC2)C1 1506420020 QMZJZVBPSOSUAW-GFCCVEGCSA-N 295.383 1.042 0 50 CDAA COc1ccc(C(=O)N2CC[C@H](C(C)(C)O)C2)c(O)c1 215856257 ORGCJMFUFXXSSD-JTQLQIEISA-N 279.336 1.634 0 50 CDAA CC[C@H](C)OCC(=O)N1CC[C@@H](C)[S@@](=O)CC1 430374131 WONJKTOVOPQHFC-RVPKQNPDSA-N 261.387 1.171 0 50 CDAA C[C@H]1CC[C@@H](CCC(=O)N2CCC(C(=O)O)CC2)O1 237554354 CLIQXSHXQKGGTE-JQWIXIFHSA-N 269.341 1.657 0 50 CDAA NC[C@H]1CCCCN1C(=O)c1ncncc1Cl 237958250 OGMJFOKBDVECHD-MRVPVSSYSA-N 254.721 1.083 0 50 CDAA O=C(NS(=O)(=O)C1CC1)c1ccc(Cl)cc1 851292474 MIGFQJYPRLVURE-UHFFFAOYSA-N 259.714 1.562 0 50 CDAA CC[C@@H](C(=O)O)N(C)S(=O)(=O)Cc1ccc(C)c(C)c1 578196711 QUXYYPWTVBZFCH-ZDUSSCGKSA-N 299.392 1.928 0 50 CDAA CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 12865719 YKMGFGLJZDYLBN-JTQLQIEISA-N 264.300 1.705 0 50 CDAA Cc1ccc(CCNC(=O)c2c(C)nc3ncccn23)o1 19147814 RLBHYLSALZKLTL-UHFFFAOYSA-N 284.319 1.912 0 50 CDAA CN1CCN([C@@H](CN)c2cccc(Cl)c2)CC1 19257555 OVCNUPZAXKIGQJ-ZDUSSCGKSA-N 253.777 1.587 0 50 CDAA Cc1cc(S(=O)(=O)N2CCNCC2)c(Cl)cc1F 237784949 XSCZCFHUEUEVLV-UHFFFAOYSA-N 292.763 1.381 0 50 CDAA CN1CC[C@H](N(C)c2nc(-c3ccccc3)no2)C1=O 608753483 FKTOKWUFPLZCFX-NSHDSACASA-N 272.308 1.404 0 50 CDAA O=C([C@@H]1CCCc2nn[nH]c21)N1CCC[C@H]1[C@@H]1CCCO1 614588981 AWPIKVZASCGPCR-WXHSDQCUSA-N 290.367 1.395 0 50 CDAA CCc1ccc(C(=O)N2CCOC[C@H]2c2nnc(C)o2)o1 328614372 VVNGRZZEKHMBED-NSHDSACASA-N 291.307 1.747 0 50 CDAA O=C(NC1CCN(c2cccnn2)CC1)C1CC=CC1 368990552 OBHSUGXBVVMCSH-UHFFFAOYSA-N 272.352 1.528 0 50 CDAA CCn1c(C)cc2[nH]nc(NC(=O)c3cccn3C)c2c1=O 585130174 JVMONXOCEATEQF-UHFFFAOYSA-N 299.334 1.644 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@@H](O)C(C)(C)O 585121100 FZAZEIYCYQZWHD-GFCCVEGCSA-N 296.367 1.009 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1cccnc1 267375042 GILAXEJGMUCQGO-UKRRQHHQSA-N 262.353 1.801 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cccs1)C2 1704330451 CKTPDQOPMIQCBQ-MNOVXSKESA-N 266.366 1.151 0 50 CDAA C=CC(=O)N1CCN(c2ncc(CC)s2)CC1 848979156 HDPQCGAKBPMKBP-UHFFFAOYSA-N 251.355 1.540 0 50 CDAA CCN1CCN(CCOc2ccccc2CO)CC1 20390520 UCMHTEBPVPLGNN-UHFFFAOYSA-N 264.369 1.195 0 50 CDAA CN1CCN(C(=O)c2ccc3cccc(O)c3c2)CC1=O 1875283045 CPEARISZSBBKGP-UHFFFAOYSA-N 284.315 1.460 0 50 CDAA O=C(N[C@H]1CCOC1)[C@@H]1CC(c2ccc(F)cc2)=NO1 1875345942 NKANCJIZJSYXQJ-AAEUAGOBSA-N 278.283 1.224 0 50 CDAA C=CC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 1875366510 QYMGTRZMNNJKNH-VXGBXAGGSA-N 280.393 1.812 0 50 CDAA CC(C)(C)c1noc(=O)n1Cc1nnsc1Cl 1875391368 USLYXIDNXMLYOD-UHFFFAOYSA-N 274.733 1.687 0 50 CDAA O=C(c1cc2ccsc2[nH]1)N1CCC[C@](O)(C(=O)O)C1 1875393926 RGHNNLIEDFHHQC-CYBMUJFWSA-N 294.332 1.281 0 50 CDAA Cc1ccc(NC(=O)C(=O)N2CCS[C@H](C)C2)nc1 888097430 JWKWOMNIYXZZLW-SNVBAGLBSA-N 279.365 1.292 0 50 CDAA CSc1nc(Cl)c(C)c(N2CCNC(=O)[C@H]2C)n1 1775990701 ZCSHFOMRYUKNCB-SSDOTTSWSA-N 286.788 1.485 0 50 CDAA Cc1nccn1CCCC(=O)NCC12CC(CN1C)C2 1775993791 KXHNYWSQKMSPJP-UHFFFAOYSA-N 276.384 1.182 0 50 CDAA Cc1nsc(NC(C)(C)CN2CCOCC2)n1 308664662 QQHNCQIWDNJJIU-UHFFFAOYSA-N 256.375 1.369 0 50 CDAA CCCCN(Cc1cnns1)[C@@H]1CCS(=O)(=O)C1 330367075 KZHVIHUAISLVAZ-SNVBAGLBSA-N 289.426 1.327 0 50 CDAA CN(C(=O)N[C@@H]1CC2CCC1CC2)C1CCNCC1 335611514 AGBHEVSZSZKGEE-ORHYLEIMSA-N 265.401 1.959 0 50 CDAA Cc1cnc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)cn1 379285599 SMNGPFBTCRHFJI-WPRPVWTQSA-N 288.273 1.279 0 50 CDAA Cc1nc(N2C[C@H](O)[C@@H](O)C2)c2c(C)c(C)sc2n1 388318513 MHXQCMFTGPZVEV-UWVGGRQHSA-N 279.365 1.158 0 50 CDAA CC1(C)NCC[C@H]1NC(=O)c1c(F)cncc1F 952992974 LREUULLNIHXKLD-SECBINFHSA-N 255.268 1.230 0 50 CDAA COc1ccc(-c2ccnc3c2c(=O)[nH]c(=O)n3C)cc1 8764910 DQPLNLJTSMCCFQ-UHFFFAOYSA-N 283.287 1.297 0 50 CDAA biogenic O=S(=O)(N[C@@H]1CCOCC12CCCC2)c1cn[nH]c1 1875273926 KMKKFHYLJHSMOR-LLVKDONJSA-N 285.369 1.037 0 50 CDAA Cc1ccncc1CN(C)C(=O)COc1ccccn1 2325762901 XMAYUMPUKYOBLI-UHFFFAOYSA-N 271.320 1.822 0 50 CDAA Cc1cc(CO)oc1C(=O)NC[C@]12CCCN[C@@H]1CCC2 2325779112 HUQYRHISFHWFCL-CJNGLKHVSA-N 292.379 1.732 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccc(CN(C)C)nc1 2325795241 SEIQEBDUCVQJGA-DGCLKSJQSA-N 276.384 1.095 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)[C@@H]1CC=CCO1)C2 2325799595 KKHYFJLXURCEFQ-WYUUTHIRSA-N 265.309 1.043 0 50 CDAA O=c1c2ccc(Cl)cc2nc2n1C[C@@H]1COCCN21 2325879615 AWVYSHMRNBLIQY-SECBINFHSA-N 277.711 1.269 0 50 CDAA C[C@@H](N)C(=O)N1CC[C@@H](COCc2ccccc2)C1 119103496 NVMYLMLSNBWNLN-TZMCWYRMSA-N 262.353 1.399 0 50 CDAA O=c1cc(Nc2ccc(Br)cc2)[nH]c(=O)[nH]1 245008 KVJLEUZMCGNFGQ-UHFFFAOYSA-N 282.097 1.569 0 50 CDAA in-vivo Cn1c(SCC(N)=O)nnc1-c1cccc(Cl)c1 615003 AMUPDZAGWUPDIP-UHFFFAOYSA-N 282.756 1.713 0 50 CDAA O=C1CCCN1C(=O)c1cncc(Br)c1 619937 KKUYKXOTVPZRKI-UHFFFAOYSA-N 269.098 1.607 0 50 CDAA O=C(O)c1nc2nccnc2cc1Br 2456141 GHRJGGQQZPMOHM-UHFFFAOYSA-N 254.043 1.486 0 50 CDAA O=C(O)CCCCCNC(=O)NCCCCCC(=O)O 4578891 LXNSSMBDZOAFCT-UHFFFAOYSA-N 288.344 1.576 0 50 CDAA COc1cc(NC(=O)[C@@H]2CCCO2)cc(OC)c1 7969702 GLRFTAPWJCPHIE-LBPRGKRZSA-N 251.282 1.821 0 50 CDAA CCCc1cc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)[nH]n1 225470151 OZNWSKZWMMCAAX-DGCLKSJQSA-N 290.367 1.245 0 50 CDAA CCCN1C[C@@H](CN[C@@H]2CCCSC2)CC1=O 421356230 WQZCLGSWYHXIIP-VXGBXAGGSA-N 256.415 1.730 0 50 CDAA CC1(C)CCCN(C(=O)NCc2nnc3n2CCCC3)C1 112744533 RZFXITCIZGTWBU-UHFFFAOYSA-N 291.399 1.946 0 50 CDAA CCn1cnnc1C1CCN(C(=O)[C@@H]2CCCNC2)CC1 343850957 CTQRSAFWUXFOCP-CYBMUJFWSA-N 291.399 1.004 0 50 CDAA Cc1cccc2nc(-c3nc4c([nH]3)CCCNC4=O)cn12 65394837 YENIAINYWNEVSY-UHFFFAOYSA-N 281.319 1.709 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCN(CC(C)C)C2)n[nH]1 67956411 MBGQAGWSRDTSCZ-GFCCVEGCSA-N 264.373 1.426 0 50 CDAA CCOc1ccnc(N[C@H](C)Cc2cnccn2)n1 65408091 VHLUNQCKBFUQGV-SNVBAGLBSA-N 259.313 1.708 0 50 CDAA CNC(=O)CC1CCN(CC[C@H](C)SC)CC1 67975681 BHCQIGWRGNAIRB-NSHDSACASA-N 258.431 1.976 0 50 CDAA Cc1coc(C)c1C(=O)N[C@@H](CC(C)C)C(=O)NCCO 252506335 VZNQRZKWWLPVMJ-LBPRGKRZSA-N 296.367 1.149 0 50 CDAA C[C@H](NC(=O)c1cncnc1)c1ccc([S@](C)=O)cc1 354711236 CEENCJDHJLFBCK-FVINQWEUSA-N 289.360 1.705 0 50 CDAA CCN(c1ncnc2c1ncn2CC)[C@H]1CCOC1 328593964 DZFCGMRFOSGZSP-JTQLQIEISA-N 261.329 1.461 0 50 CDAA C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C 229756429 KQWNOZKESDAMFR-AVGNSLFASA-N 297.443 1.336 0 50 CDAA O=C1CCCN1CCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 281892921 QBWXIIOVBIMLHB-HUUCEWRRSA-N 292.354 1.556 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2CCc2cccs2)n1 328631001 QKXRRJSZBWFGHK-ZYHUDNBSSA-N 279.365 1.790 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 334371856 QNNMMNYSASFZLW-CHWSQXEVSA-N 275.283 1.497 0 50 CDAA O=C(c1cc(O)nc(C2CC2)c1)N1CCOCC12CC2 328702237 NRFDQOMUILGGQU-UHFFFAOYSA-N 274.320 1.670 0 50 CDAA Cc1ccc(C(=O)NCCCN2CCCC2=O)n1C 184883611 JPCQSXTTWHERQY-UHFFFAOYSA-N 263.341 1.076 0 50 CDAA CC(=O)c1cn(CC(=O)N[C@@H](C)C(=O)O)c2ccccc12 36369920 ISIYMUVSYIQLHD-VIFPVBQESA-N 288.303 1.433 0 50 CDAA biogenic Cc1ccc(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)cn1 237843414 HWVCOEAYSFVZEE-CYBMUJFWSA-N 292.335 1.486 0 50 CDAA O=C1CN(CCC2OCCO2)CCN1CC1CCCC1 125193243 BWOZMKYJSGDWNF-UHFFFAOYSA-N 282.384 1.084 0 50 CDAA Cn1cccc1CNC(=O)[C@@]1(O)CCc2ccccc2C1 367363027 KLVRBVOHOIZTNH-QGZVFWFLSA-N 284.359 1.561 0 50 CDAA CCn1nc(C)c(C(=O)N2CCC[C@@H](N)C2)c1Cl 158608934 CWPIIRUVEIMLMM-SECBINFHSA-N 270.764 1.428 0 50 CDAA Cc1noc(C)c1CN1CCC[C@@]2(CC1)CNC(=O)O2 215833795 JQESIGDZBJYEGG-CQSZACIVSA-N 279.340 1.756 0 50 CDAA Cc1noc([C@H]2CCN(Cc3ncnn3C(C)(C)C)C2)n1 331507372 DNXLJPMDDXQFFZ-NSHDSACASA-N 290.371 1.714 0 50 CDAA O=C(CC[C@@H]1CCOC1)N1CCC12CCC(CO)CC2 370660211 WWKZEKCZHMGZBO-NPCAHTBFSA-N 281.396 1.957 0 50 CDAA CCN1CCC[C@@H](Cn2cnc3ccncc3c2=O)C1 32573442 QPEDLPIPHBWWRE-GFCCVEGCSA-N 272.352 1.523 0 50 CDAA CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1noc(C)n1 371005691 HLRPEIYTQXFDSN-ZDUSSCGKSA-N 289.291 1.375 0 50 CDAA Cc1cnn(C)c1S(=O)(=O)N1C[C@H](C)[C@@H](C)[C@H]1C 332607703 CLPIXURGTKZTGS-HBNTYKKESA-N 271.386 1.394 0 50 CDAA O=C(c1[nH]nnc1-c1ccccc1)N1CCC[C@H]2OCC[C@H]21 373817336 ZXWOLNGXJLDVEL-CHWSQXEVSA-N 298.346 1.865 0 50 CDAA CC[C@H](C)[C@@H](OC)C(=O)N1CC(=O)Nc2cnccc21 332705280 WSNLHNKMRIVGRU-TVQRCGJNSA-N 277.324 1.428 0 50 CDAA CC1(C)CN(C(=O)CCc2cnc[nH]2)[C@@H]2CCC[C@H]2O1 335654258 NEFZSGPLBHKIGB-CHWSQXEVSA-N 277.368 1.901 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C 262864150 HOIXXFFNOIGAGC-QWRGUYRKSA-N 298.383 1.345 0 50 CDAA CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc3n(n2)CCO3)C12CCC2 377972725 VKTQMOJCJGTAET-JIMOISOXSA-N 291.351 1.209 0 50 CDAA C1CO[C@@H](c2nc(CN3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)no2)C1 72119477 NNJZKBVQIHKJHC-KSSYENDESA-N 291.351 1.530 0 50 CDAA CCCc1ncc(C(=O)N2CC[C@@H](C(=O)O)C2)s1 236940456 GDCNDLOQSJXZAD-MRVPVSSYSA-N 268.338 1.642 0 50 CDAA O=C(c1cc2n(n1)CCC2)N1CCC(Cc2ncc[nH]2)CC1 333522730 WIUKEDWNNOSJNE-UHFFFAOYSA-N 299.378 1.647 0 50 CDAA Cn1nc(I)c2ncccc21 71373268 NXNLWRAKHMLTGL-UHFFFAOYSA-N 259.050 1.573 0 50 CDAA CN(C(=O)c1nccn1C)[C@@H]1CCOC(C)(C)C1 215353396 CMVJURWRDGNNJX-SNVBAGLBSA-N 251.330 1.450 0 50 CDAA Cc1cc(C(=O)N2CC[C@@](C)(C(=O)O)C2)nn1C(C)(C)C 237707445 ZZRSIABFUDQZOR-OAHLLOKOSA-N 293.367 1.883 0 50 CDAA Cc1nn(C)cc1-c1ccnc(N[C@H]2CCCOC2)n1 48436152 LHVMAYDDSOPDPU-NSHDSACASA-N 273.340 1.776 0 50 CDAA Cn1nccc1C(=O)N1CCC[C@@H]1c1cccnc1 334352187 GXUOOIYYKZHJAQ-GFCCVEGCSA-N 256.309 1.792 0 50 CDAA CC1(C)[C@H](N)C[C@H]1NC(=O)c1cccc(F)c1F 130655057 OYCZIQFRZTUSJB-NXEZZACHSA-N 254.280 1.820 0 50 CDAA C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@H]1C(N)=O 284575050 IZKKHONFKAXCRX-VXNVDRBHSA-N 273.258 1.658 0 50 CDAA C[C@@H]1CN(C(=O)[C@H](O)C2CCCCC2)C[C@H]1C(=O)O 263282786 XNKZFTDEGPXMCI-YUSALJHKSA-N 269.341 1.107 0 50 CDAA CCCc1nnsc1C(=O)NCCc1cscn1 222653226 XGZHUUONPZIKMA-UHFFFAOYSA-N 282.394 1.920 0 50 CDAA NC(=O)N1CCC[C@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 81598266 OYMBRGGRZYEJGE-OESUJAFSSA-N 291.395 1.567 0 50 CDAA O=C1NC(=O)C2(CCC(Nc3ncc(Cl)cn3)CC2)N1 286348763 KDHLZRQVVCKXFH-UHFFFAOYSA-N 295.730 1.063 0 50 CDAA O=C1CC[C@@H](C(=O)NCCc2nc3ccccc3o2)CN1 426401701 IHGWCAMSLLWHJE-SNVBAGLBSA-N 287.319 1.013 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)CN1CCCC1 221184065 WQVUOVPNLSPKSN-JTQLQIEISA-N 264.373 1.310 0 50 CDAA COc1cccc(C2(NC(=O)CN3CCOCC3)CC2)c1 287151285 XZFKEQFXODMYNN-UHFFFAOYSA-N 290.363 1.133 0 50 CDAA OCCN1CCC(CCC2CCN(CCO)CC2)CC1 222550862 UBFAJJSHDCJHEP-UHFFFAOYSA-N 284.444 1.175 0 50 CDAA Cc1ccc(N(C)C(=O)C(C)(C)S(=O)(=O)C2CC2)nc1 288822260 BTGWDVSBDGJDAI-UHFFFAOYSA-N 296.392 1.709 0 50 CDAA CCC[C@H](NC(=O)c1ncccc1O)c1nccn1C 220358197 AHPNNYADLSEJBJ-JTQLQIEISA-N 274.324 1.792 0 50 CDAA CCc1nc(N2CCC[C@H](N3CCCC3=O)C2)ncc1C 426628104 BHCKJTACTSPXGE-ZDUSSCGKSA-N 288.395 1.939 0 50 CDAA Cc1nc([C@@H]2CCOC2)cc(=NCCN2CCCC2)[nH]1 426549139 KKDYBHGNJVCXJT-CYBMUJFWSA-N 276.384 1.219 0 50 CDAA O=S(=O)(c1ccc(Cl)cc1Cl)n1cncn1 196139519 WHLAJLQCPZZPIJ-UHFFFAOYSA-N 278.120 1.822 0 50 CDAA CC1CCN([C@@H](C)CNC(=O)c2cn(C)cn2)CC1 178223226 YUECQEGVTKODSQ-LBPRGKRZSA-N 264.373 1.270 0 50 CDAA Cc1cc(NC(=O)N2CCOC[C@@H](O)C2)ccc1F 97553385 HYOPAHIDIRHEJN-NSHDSACASA-N 268.288 1.359 0 50 CDAA O=C1CCC[C@@H]1CCn1nnn(-c2ccccc2)c1=O 178483595 KMTNCKFPGUKPJT-LLVKDONJSA-N 272.308 1.188 0 50 CDAA Cc1cccc([C@@H](C(=O)NC(C)(C)C(=O)O)N(C)C)c1 95517132 ZSQQHRJXKYDHPE-LBPRGKRZSA-N 278.352 1.577 0 50 CDAA CC(C)(C)OC(=O)[C@H]1CCC2(CCNCC2)NC1 90411770 LBZJQOBUIXWLIZ-NSHDSACASA-N 254.374 1.450 0 50 CDAA COc1ccc(CNC(=O)c2cc(C(C)=O)n[nH]2)cc1F 97784928 AHLPOFLAKUEGFQ-UHFFFAOYSA-N 291.282 1.690 0 50 CDAA Cn1nnc2cc(NC(=O)NC3CCOCC3)ccc21 97742913 OTODXSSRSCPDDV-UHFFFAOYSA-N 275.312 1.269 0 50 CDAA FC(F)(F)c1nccc(NCCSc2cnn[nH]2)n1 91663264 PYYZXIQYLDHQRW-UHFFFAOYSA-N 290.274 1.818 0 50 CDAA NC1(c2cccc(I)c2)COC1 95630843 XDXWHQAWKOSKIJ-UHFFFAOYSA-N 275.089 1.475 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12 245226737 JTGVFHJDSDWBNF-YMEQNVIZSA-N 299.282 1.218 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cn1cccc1)C(=O)O 536949724 QAWRHTGRFMGKGW-VIFPVBQESA-N 254.286 1.466 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@H]1CCCN1C 299499921 KHEGUEJTDHVYNS-CQSZACIVSA-N 291.395 1.971 0 50 CDAA C[C@@H](NC(=O)Nc1nccn(C)c1=O)c1ccccc1 182722294 HQTBQPJOVGWJRO-SNVBAGLBSA-N 272.308 1.663 0 50 CDAA CC(C)c1ccc2c(c1)[C@@H](N=c1[nH]c(=N)[nH]c(=N)[nH]1)CCC2 624072919 KOCAJSWOPKNMHA-ZDUSSCGKSA-N 298.394 1.732 0 50 CDAA O=C(NCC1CCNCC1)c1cccc(-c2cn[nH]c2)c1 534647307 ITVHESLLIGWOQI-UHFFFAOYSA-N 284.363 1.806 0 50 CDAA Cc1nonc1C(=O)NCCc1csc(C(C)C)n1 265068562 VMBDJJJJNXRLME-UHFFFAOYSA-N 280.353 1.930 0 50 CDAA Cc1cncnc1C1CCN(C(=O)c2ncccc2O)CC1 299766872 GNEZPSUFOQBDOM-UHFFFAOYSA-N 298.346 1.905 0 50 CDAA O=C(O)CC[C@]1(Cc2cccs2)CCC(=O)N1 299781272 VZGRXZYPDXHMBQ-LBPRGKRZSA-N 253.323 1.804 0 50 CDAA O=C1NC2(CCCC2)C(=O)N[C@H]1COCc1ccccc1 828301585 WNYPDZBLRODFDZ-ZDUSSCGKSA-N 288.347 1.131 0 50 CDAA CN(Cc1ccccc1CN1CCCC1)C(=O)c1cnn[nH]1 584891088 GQXRGNTZDHAGIY-UHFFFAOYSA-N 299.378 1.673 0 50 CDAA Cc1ccc([C@H]2CC(=O)Nc3nc(N)nc(N)c32)c(C)c1 670416178 VQSCECUMHJPSML-SNVBAGLBSA-N 283.335 1.732 0 50 CDAA Cc1cc(C)n(C[C@H](C)N2CCc3nocc3C2)n1 670454895 MHXYVHNHDGDLTF-LBPRGKRZSA-N 260.341 1.935 0 50 CDAA Cc1noc(C)c1CCCNC(=O)c1nccn1C 753842237 XYWQFDVZTUOYKN-UHFFFAOYSA-N 262.313 1.388 0 50 CDAA C[C@@H](O)c1nc2ccc(NC(=O)CCn3cccn3)cc2[nH]1 952981284 VJHKKXLMLSJEOW-SNVBAGLBSA-N 299.334 1.842 0 50 CDAA CCCN(CCOC)C(=O)c1cc(C)nc(C)n1 952991022 LAJQUORVLPWRGD-UHFFFAOYSA-N 251.330 1.592 0 50 CDAA CCCN(C(=O)C1CCN(C(C)C)CC1)[C@H](C)CO 952977931 RNFPQBGRUUFBQE-CYBMUJFWSA-N 270.417 1.726 0 50 CDAA Nc1ccc(Cl)nc1I 63110819 CWPAZQRTFHRMQI-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA in-vitro CC(C)(C(=O)NS(=O)(=O)c1cccnc1)C1CCC1 408482446 HVYDRKFCRRWGAT-UHFFFAOYSA-N 282.365 1.713 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNCc1cccc(C(N)=O)c1 275339349 RKFYXUQVCHPWGL-HUUCEWRRSA-N 276.380 1.936 0 50 CDAA O=C(CCC1CCOCC1)NS(=O)(=O)c1cccnc1 170645551 MJETUSXXZRJIFH-UHFFFAOYSA-N 298.364 1.093 0 50 CDAA O[C@@H](CNCc1cccc2c1CCOC2)C(F)(F)F 634727786 FLIXGWRABNQCEL-LBPRGKRZSA-N 275.270 1.772 0 50 CDAA Cc1coc(C(=O)N2CCC[C@H](n3cncn3)C2)c1C 585081678 GMJLTUCKNLHWPP-LBPRGKRZSA-N 274.324 1.965 0 50 CDAA Cc1nc(NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cs1 556682165 JBDPIWHRLSBHMU-XPUUQOCRSA-N 253.327 1.305 0 50 CDAA CCc1nnc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)s1 585135330 BYJMTCUTUQLFBD-DTWKUNHWSA-N 268.386 1.265 0 50 CDAA CC1=NO[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)C1 585100161 CWJIRKLKCZGBEO-DTWKUNHWSA-N 264.247 1.952 0 50 CDAA Cc1cc(CNC(=O)N[C@H](C)[C@H]2CCCCO2)no1 679015119 CACGGGRZSMKDRJ-ZYHUDNBSSA-N 267.329 1.740 0 50 CDAA O=C(c1ccc2nc(O)[nH]c2n1)N1CC2(CCCC2)C1 561264785 REDJRUICUBFQPE-UHFFFAOYSA-N 272.308 1.680 0 50 CDAA C[C@@H](Nc1cc(N2CCOCC2)ncn1)c1ccncc1 193370621 IIZPDFRIQRRIJL-GFCCVEGCSA-N 285.351 1.881 0 50 CDAA CN(Cc1cccc(O)c1)C(=O)[C@@H]1CCc2cncn2C1 572124343 RSZFXQOTSCCWRR-CYBMUJFWSA-N 285.347 1.810 0 50 CDAA CC(C)n1cncc1CN1CCN(CCCCO)CC1 97636638 NOMLPVCLUZGNBB-UHFFFAOYSA-N 280.416 1.354 0 50 CDAA O=C(N[C@]12CCC[C@@H]1NCC2)c1cccc2c1CCOC2 1615545764 IHAPPWWPMDNUJR-RDJZCZTQSA-N 286.375 1.774 0 50 CDAA CC(C)[C@@H](CO)NC(=O)Nc1nccc(C(C)(C)C)n1 1615587774 RLDXUBKQTJWTGY-SNVBAGLBSA-N 280.372 1.913 0 50 CDAA Cn1c(C(=O)NC2(C(=O)O)CC2)cc(Cl)c1Cl 203654749 KRIZSYAYDFDWDN-UHFFFAOYSA-N 277.107 1.679 0 50 CDAA O=C1C[C@H](C(=O)Nc2ccc(-c3cnco3)cc2)CN1 110355052 DEQDGELHJLVWJG-JTQLQIEISA-N 271.276 1.416 0 50 CDAA CC(C)Cn1cncc1CNc1nc(N)[nH]c2ncnc1-2 1529101642 JFGHROQDGNVQCX-UHFFFAOYSA-N 286.343 1.351 0 50 CDAA O=C(c1ccco1)N1CCC[C@H](N=c2cc[nH]cc2F)C1 1529168272 ZIBZNELRUWZMDP-NSHDSACASA-N 289.310 1.952 0 50 CDAA O=C(COC1CCNCC1)N[C@H]1C[C@H]1c1ccccc1 111797103 ZJLRJVUUOZSKCQ-GJZGRUSLSA-N 274.364 1.427 0 50 CDAA CO[C@@H]1[C@H](F)CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 1531865407 KFICXBXJXVWQMT-HRDYMLBCSA-N 277.292 1.781 0 50 CDAA CCOCCn1nc(C)nc1[C@@H]1CCn2nccc2C1 1857679289 SAUUZBJGWMCCHF-GFCCVEGCSA-N 275.356 1.550 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)N1CCCCCC1 225696599 AIXKLNBEFCDSDD-WYUUTHIRSA-N 265.309 1.043 0 50 CDAA C[C@@H](CN1CCOCC1)NC(=O)C(C)(C)C1CCC1 408519342 DAJAUHQGBYXIJG-LBPRGKRZSA-N 268.401 1.650 0 50 CDAA O=C(c1ccoc1Br)N1C[C@@H](F)C[C@H]1CO 334459948 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in-vitro COc1ccc(Cn2nnnc2C2CCOCC2)cc1F 331913338 KVPQXWDEMFMVPL-UHFFFAOYSA-N 292.314 1.763 0 50 CDAA O=C(NCC1(O)CCC1)[C@H]1CCCN(CC(F)(F)F)C1 332510367 ZESBLFFRFPQDNP-JTQLQIEISA-N 294.317 1.292 0 50 CDAA COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1COCCN1 237087194 RFMKUSPVZPIHPV-LBPRGKRZSA-N 298.770 1.295 0 50 CDAA C/C=C(\CC)C(=O)N1CCC[C@H](c2n[nH]cc2C(N)=O)C1 375633696 YREWVVRESAVTSQ-LFJXOHPOSA-N 290.367 1.571 0 50 CDAA C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)CC(=O)O 237422204 MWQSWUONYTZKFC-VWYCJHECSA-N 257.330 1.513 0 50 CDAA C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)CCN1 237519289 XUXDYUDGHNNSPS-PYEVWLCESA-N 272.348 1.455 0 50 CDAA N[C@@H]1CCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 132263035 AUDGIYBQNXGNKG-GFCCVEGCSA-N 283.335 1.393 0 50 CDAA Cc1nc(C)n(-c2ccc(C(=O)N3CCC[C@H](N)C3)cc2)n1 158603236 OAMKLXVSBMWJRC-AWEZNQCLSA-N 299.378 1.447 0 50 CDAA Cc1cccc(CN2CCN(C[C@H]3CCNC3)CC2)c1 72151327 ZNGJVWZAWQMARB-KRWDZBQOSA-N 273.424 1.722 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)Cc2cc(F)ccc2F)CCO1 238047889 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261.333 1.062 0 50 CDAA C[C@@]1(NC(=O)Nc2ccc3ccccc3n2)CCNC1=O 932150089 FGAJLWYAQPXIFE-OAHLLOKOSA-N 284.319 1.635 0 50 CDAA CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)nn1 1850094369 RUTILEAJMSPPKH-UHFFFAOYSA-N 286.291 1.524 0 50 CDAA CCOC(=O)c1cnc2nc(SC)nn2c1C 9306344 SMVYNNGGGPOMNM-UHFFFAOYSA-N 252.299 1.331 0 50 CDAA CCCn1cnc2ncc(N3CCC(C(=O)O)CC3)nc21 1857533504 HTMDYAVVSVMODH-UHFFFAOYSA-N 289.339 1.537 0 50 CDAA C=CC(=O)N1CCC(C2(C(=O)O)CCOCC2)CC1 1857786805 BTXGRXFJKXKOMY-UHFFFAOYSA-N 267.325 1.292 0 50 CDAA O=C(c1nn(-c2ccccc2)c(=O)cc1O)N1CCCC1 1859602499 MIRLCEWYRJTQIN-UHFFFAOYSA-N 285.303 1.174 0 50 CDAA CC(C)CC(=O)N1CCN(c2cncc(Cl)n2)CC1 1055708422 MLPVQSAEZWCTGX-UHFFFAOYSA-N 282.775 1.825 0 50 CDAA Cc1c[nH]cc1C(=O)NC[C@H]1CCO[C@@H]1c1cn[nH]c1 952852634 JUNGMTJGHIGCEX-MFKMUULPSA-N 274.324 1.554 0 50 CDAA CC1(S(=O)(=O)N2c3ccncc3N3CC[C@H]2C3)CC1 1875273715 KDPAFZUCSMRNQP-JTQLQIEISA-N 279.365 1.363 0 50 CDAA CCCn1cnc(NS(=O)(=O)c2ccoc2)c1 1875280045 RBEQGPDTPICMMG-UHFFFAOYSA-N 255.299 1.687 0 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1.790 0 50 CDAA Cc1cc(=NC(=O)c2cccn3nccc23)[nH]n1C 2325871576 QQMIGCXMBNRRMM-UHFFFAOYSA-N 255.281 1.050 0 50 CDAA COC(=O)[C@@H]1CCN(C[C@@H](O)C(F)(F)F)C[C@@H]1C 249088688 NOFMBKAGFXNTPR-DJLDLDEBSA-N 269.263 1.041 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)O 167138 OMZGXILDEBYINK-UHFFFAOYSA-N 285.321 1.178 0 50 CDAA NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 200215 XZPVJPVXNKFZEU-UHFFFAOYSA-N 286.335 1.434 0 50 CDAA O=C1C[C@@H](NCc2ccccn2)C(=O)N1c1ccc(F)cc1 250377 NHLVEBXWVCTNQL-CQSZACIVSA-N 299.305 1.642 0 50 CDAA COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C 308751 FONAWGCVRXIHQI-UHFFFAOYSA-N 285.365 1.333 0 50 CDAA Nc1nc(CSCCO)nc(Nc2ccccc2)n1 2197629 JJRCOWSBFJAICE-UHFFFAOYSA-N 277.353 1.423 0 50 CDAA CCOC(=O)CNC(=O)N[C@H](C)c1ccccc1 2495344 VHASUHYRESQZST-SNVBAGLBSA-N 250.298 1.610 0 50 CDAA Cc1ccc(F)cc1-c1nc(N2CCOCC2)n[nH]1 2356162739 QLOXAKMUYMABDK-UHFFFAOYSA-N 262.288 1.756 0 50 CDAA O=Cc1ccc(OCC(=O)NCc2ccco2)cc1 6701139 YDQUOJRFNMUMMY-UHFFFAOYSA-N 259.261 1.787 0 50 CDAA CC(C)(C)N1C[C@@H](C(=O)NC2CCCC2)CC1=O 6742718 CEWUAOLIRGPOLZ-JTQLQIEISA-N 252.358 1.692 0 50 CDAA O=C(O)CCC(=O)/N=c1\[nH]c2c(s1)CCCC2 8913821 QQEFKNLDHRBWOM-UHFFFAOYSA-N 254.311 1.247 0 50 CDAA O=S(=O)(Nc1nnc[nH]1)c1cc(F)ccc1Cl 225549629 OETPNZNBSLHVJB-UHFFFAOYSA-N 276.680 1.398 0 50 CDAA Cn1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)n1 111472672 VAUWZUIHQXBVHZ-BDAKNGLRSA-N 251.286 1.250 0 50 CDAA COC(=O)[C@@H]1C(=O)CC(=O)C[C@H]1c1cccs1 100096785 BGOFBJYATGXJII-KWQFWETISA-N 252.291 1.553 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)N(C)C1 343221043 IXSPRQBVWQYQCR-STQMWFEESA-N 266.341 1.266 0 50 CDAA C[C@]12CCC(=O)N1[C@H](C(=O)N1C[C@@H]3CCC[C@H]3C1)CS2 247492009 WXSKQXPUGBARTM-ASHKBJFXSA-N 294.420 1.699 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCOCC2)[C@@H](CN)C1 1535647264 HSKTUROOOWTUFQ-LBPRGKRZSA-N 284.400 1.999 0 50 CDAA O=C(O)c1cn(-c2ccc(C(=O)N3CCCC3)o2)cn1 67688887 NVAVPXGQZQVGIB-UHFFFAOYSA-N 275.264 1.400 0 50 CDAA CCOC(=O)c1cc(CC)cnc1C(=O)OCC 20357987 VSPXTWXXNZJEHM-UHFFFAOYSA-N 251.282 1.997 0 50 CDAA COc1ncc(CN2CCc3[nH]cnc3[C@@H]2C(C)C)cn1 67757921 BSBNENIDWNBKSB-AWEZNQCLSA-N 287.367 1.964 0 50 CDAA CC(C)Cc1ncc2c(n1)CN(c1ncccc1C(N)=O)C2 67588719 ILVQXZDKLCIFBP-UHFFFAOYSA-N 297.362 1.689 0 50 CDAA CC(=O)c1ccc(C(=O)NCc2cc(C)n[nH]2)s1 20819190 LPYUYFPENUFURL-UHFFFAOYSA-N 263.322 1.912 0 50 CDAA CCC[C@@H]1COCCN1C(=O)c1cnn2ccn(C)c12 65394698 MEDPRLRYDUZHDJ-LLVKDONJSA-N 276.340 1.314 0 50 CDAA C[C@H]1Cc2cc(CNC(=O)c3ccc(=O)n(C)c3)ccc2O1 65409992 XZDJGTUOUNSAFQ-NSHDSACASA-N 298.342 1.639 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CSCN2)C[C@H](c2ccsc2)O1 119482947 PXCBABKCXGKZQW-ADEWGFFLSA-N 298.433 1.699 0 50 CDAA O=C(O)CCCC(=O)Nc1ccc(C(=O)O)c(O)c1 269136 HMJYYULBIZPHDX-UHFFFAOYSA-N 267.237 1.284 0 50 CDAA Cn1cc([C@@H](NC(=O)CC2CCCC2)C2CC(O)C2)cn1 218985708 MTTIBPIHKAXPAO-PXCJXSSVSA-N 291.395 1.929 0 50 CDAA O[C@@H]1C[C@H](c2cccc(F)c2)N(c2cnccn2)C1 281606446 GHYBGKWBFNPKCV-CHWSQXEVSA-N 259.284 1.928 0 50 CDAA Cc1nc(N[C@H](CO)CC(C)C)c2cnn(C)c2n1 72173857 KIMQTRZIATZEBS-JTQLQIEISA-N 263.345 1.491 0 50 CDAA Cc1ncc(CN(CC2CC2)C[C@H]2CN(C)CCO2)s1 328630543 JMMFIKDHXIQEDV-CQSZACIVSA-N 295.452 1.994 0 50 CDAA CS(=O)(=O)c1cnc(CC2CC2)nc1[C@H]1CCCNC1 71748761 BINVJJKPBXOXTA-NSHDSACASA-N 295.408 1.300 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)c1cccc(N)n1 219696549 UXPSOAOMQCGYGP-LLVKDONJSA-N 270.336 1.728 0 50 CDAA CC(C)[C@H]1C[C@H](N[C@@H](C)c2ncn(C)n2)CS1 488593384 TZKDEHJGGWRLGI-GARJFASQSA-N 254.403 1.996 0 50 CDAA Cc1ccc2[nH]cc(CCC(=O)N3CC(=O)N(C)C3)c2c1 336559423 JBEGVJDBARIOAB-UHFFFAOYSA-N 285.347 1.667 0 50 CDAA COCc1ccccc1NC(=O)N1CC[C@](F)(CO)C1 338397416 FCDXHDRPGCEHHI-CQSZACIVSA-N 282.315 1.771 0 50 CDAA CN(C)c1noc([C@@H]2CCCN2C(=O)NC2CCCC2)n1 375706261 TWFKQBIECKOKBS-NSHDSACASA-N 293.371 1.925 0 50 CDAA Nc1nc(NCc2cccc(F)c2F)c2cn[nH]c2n1 32541205 PDKDKMNFDVRCLK-UHFFFAOYSA-N 276.250 1.825 0 50 CDAA C[C@H]1CN(C2CCN(C(=O)c3cc[nH]c3)CC2)C[C@@H](C)O1 72409611 ZIKKZCWJIBKEGL-BETUJISGSA-N 291.395 1.729 0 50 CDAA C[C@@H](C(=O)N1CCc2ccccc21)N1CC[C@@](C)(CN)C1 261719828 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CDAA CCOCCN(C)C(=O)c1cc(OC)cc(C(=O)O)c1 426661983 HPZSWCCCVHUDGZ-UHFFFAOYSA-N 281.308 1.502 0 50 CDAA O=C(NCc1cccs1)N1CCC2(CC1)CNCCO2 426715827 FPUHEVHXRLWEIF-UHFFFAOYSA-N 295.408 1.412 0 50 CDAA CC(C)[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1C(=O)O 91645327 ZGXQODJXCORRMI-QWHCGFSZSA-N 282.384 1.288 0 50 CDAA CCCc1cc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)[nH]n1 91665550 WMKKYQDBLCLVJR-VIFPVBQESA-N 275.356 1.755 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H]5[C@H](O[C@@H]2[C@H]53)[C@H]4O)c1 230024537 SZQNSYJCPDVHES-SQDLRVPESA-N 271.316 1.310 0 50 CDAA Cc1cc(C)n(CCNC(=O)c2cnc(C3CC3)nc2)n1 97173095 KBQZDTSPFFXIOD-UHFFFAOYSA-N 285.351 1.597 0 50 CDAA COCC[C@]1(CO)CCCN(Cc2cnc(C)cn2)C1 91551869 FMHQRHIBEWRKQB-OAHLLOKOSA-N 279.384 1.396 0 50 CDAA CCc1cnc(NCCc2nncn2C(C)C)nc1 95365932 QSHVJNXADBCRRA-UHFFFAOYSA-N 260.345 1.866 0 50 CDAA COc1ccc2c(c1)OC[C@H](C(=O)N1CCCOCC1)C2 91504113 OJRKBTQDENHEOQ-CYBMUJFWSA-N 291.347 1.495 0 50 CDAA CC[C@@](C)(CC(=O)OC)NC(=O)CC1CCNCC1 162771178 YBKJBFZRUFTNIU-AWEZNQCLSA-N 270.373 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O=C(NCCOc1ccccc1F)c1n[nH]c2c1CCC2 67855303 NDXBBLVPRCVZGU-UHFFFAOYSA-N 289.310 1.846 0 50 CDAA CCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 65362785 DYTQUQYBNZVKAM-UHFFFAOYSA-N 284.381 1.531 0 50 CDAA O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCCCO1 120751560 OETSQKVNUBAHEC-VIFPVBQESA-N 290.241 1.901 0 50 CDAA CO[C@@H]1C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O1 71772923 BUYQUWSZUCMROP-XYJRDEOASA-N 260.330 1.477 0 50 CDAA O=C(c1ccn(-c2ccccc2F)n1)N1CCC[C@@H]1CO 154044283 QSILKLLCDVSVOW-LLVKDONJSA-N 289.310 1.608 0 50 CDAA O=C([C@@H](O)C1CCCCC1)N1CC[C@H](N2CCCC2)C1 363850709 DRFIGHDMHNBPNI-GJZGRUSLSA-N 280.412 1.624 0 50 CDAA CCn1ncnc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281967779 VLZVZZPIHRYURW-UONOGXRCSA-N 290.342 1.745 0 50 CDAA CC(=O)Nc1cccc([C@@H](C)NS(=O)(=O)NC2CC2)c1 331821894 IGQYSNXCQSUFGR-SECBINFHSA-N 297.380 1.292 0 50 CDAA CCOC(=O)C1=C(N)CCN(Cc2ccccc2)C1 35287647 ULARACKZXVBXJF-UHFFFAOYSA-N 260.337 1.668 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2cc3c(F)cccc3[nH]2)C1 262204760 PBEKTUIUQCRMMW-MRVPVSSYSA-N 276.267 1.854 0 50 CDAA Cc1cc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ncn1 333497107 HLFTYAYYWUIMND-AUZPSNTRSA-N 283.331 1.482 0 50 CDAA O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC(CC(F)F)C1 333463526 MEFPJXSEUYTEQT-SECBINFHSA-N 285.294 1.641 0 50 CDAA CCn1nnc(C)c1CNC[C@]1(O)CCCC1(C)C 333552315 MTCJKOCZMZXHLC-CQSZACIVSA-N 266.389 1.637 0 50 CDAA Cc1ccc(Cl)cc1N1C[C@H](C(N)=O)CC1=O 39404063 WMKAVPFWDZIWMD-MRVPVSSYSA-N 252.701 1.487 0 50 CDAA O=C(O)CCNC(=O)Cn1ccc2ccc(F)cc21 32102557 AMIRLKBNBGLMSL-UHFFFAOYSA-N 264.256 1.371 0 50 CDAA Cc1nnc(CN2CC[C@]3(CCCO3)CCC2=O)s1 72146118 JAWLHGSKNVUQSS-ZDUSSCGKSA-N 281.381 1.908 0 50 CDAA CC(C)[C@H](NC(=O)N[C@H]1C[C@H]1C)c1nnc2n1CCC2 242305012 YUAGPGTYDTXJPV-SCVCMEIPSA-N 277.372 1.629 0 50 CDAA Cc1nc(CCNC[C@]2(O)CCCNC2)sc1C 72470225 QNYLQNGJYMHZJY-ZDUSSCGKSA-N 269.414 1.007 0 50 CDAA CC1(CS(=O)(=O)N2CCC[C@@H]2C2CCC2)COC1 335724947 YLQWQDZJDBKVEH-GFCCVEGCSA-N 273.398 1.617 0 50 CDAA Cc1ncc(C(=O)N[C@H](C)[C@H](C)C(=O)O)c(C(C)C)n1 263492569 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OACVEVZOLLWRLA-UHFFFAOYSA-N 297.358 1.568 0 50 CDAA O=C(O)c1ccc2c(N3CCOCC3)nc(Cl)nc2n1 95704841 FUZKMPDWLRSWFO-UHFFFAOYSA-N 294.698 1.213 0 50 CDAA O=C(CCCN1CCCCC1)NCCn1cccc1 95370559 ATTSCRGCRPTYES-UHFFFAOYSA-N 263.385 1.870 0 50 CDAA Cc1ccc(O)c(CNc2nc(C(C)C)nn2C)n1 162311114 VEEZPCDSPYKSGK-UHFFFAOYSA-N 261.329 1.960 0 50 CDAA Cc1c(C(=O)NC[C@H]2CCCN2)n(C)c2ccccc12 97642008 UKQUHMSKGCHMIN-GFCCVEGCSA-N 271.364 1.969 0 50 CDAA Cc1nc[nH]c1C(=O)N(C)CC[C@@H](O)c1ccccc1 97711723 WAQRLQFMLLXAIO-CYBMUJFWSA-N 273.336 1.914 0 50 CDAA CCC[C@@H]1C=CCN1C(=O)c1cnc2ccccn2c1=O 97757919 XGBJFPJAROTLRH-GFCCVEGCSA-N 283.331 1.875 0 50 CDAA Cc1ccnc([C@H](NC(=O)Cn2cccnc2=O)C2CC2)c1 97776270 FCZPJIDOFBXCPG-OAHLLOKOSA-N 298.346 1.214 0 50 CDAA COCc1nc(CN2C(=O)OC[C@@H]2C(C)C)no1 95518574 QEEZPKGRNZHIEJ-MRVPVSSYSA-N 255.274 1.193 0 50 CDAA Cc1ccccc1[C@@]1(O)CCN(CCn2cncn2)C1 244718887 LSSUBFMFACMUEO-OAHLLOKOSA-N 272.352 1.180 0 50 CDAA O=C(NCc1ncn(-c2ccccc2)n1)[C@@H]1CCCOC1 294607657 QHTXOZWWNYWDOF-GFCCVEGCSA-N 286.335 1.310 0 50 CDAA COCCN1C[C@@H](Cc2ccccc2F)CC1=O 244701305 KDUSUCIPVKFKMK-NSHDSACASA-N 251.301 1.863 0 50 CDAA O=C(NCC1(C(=O)O)CC1)c1cnc(C(F)(F)F)nc1 621572283 GHMNLDJJXBXSES-UHFFFAOYSA-N 289.213 1.090 0 50 CDAA Cc1cccnc1CNC(=O)[C@@H]1CNC[C@H]1C(F)(F)F 299744572 PFEKLLBLLMHDPZ-NXEZZACHSA-N 287.285 1.404 0 50 CDAA CCn1ncc(C(=O)N(C)[C@H]2CCNC2)c1C(F)(F)F 299739545 PWXHJOZRZBAEQN-QMMMGPOBSA-N 290.289 1.356 0 50 CDAA COCc1cc(C(=O)N2CC[C@H](CN)C2)ccc1F 299740396 ZGKHAPRGMDBCAK-SNVBAGLBSA-N 266.316 1.393 0 50 CDAA CC(C)CC[C@](C)(O)CNC(=O)[C@H]1C[C@H]1C(=O)O 299752078 SRBYDXXALYPHOB-CWSCBRNRSA-N 257.330 1.011 0 50 CDAA COCC1(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)CCC1 534640157 YYKHBWJZVRNBPC-KBPBESRZSA-N 296.411 1.173 0 50 CDAA C[C@@H](NS(=O)(=O)c1cccnc1)c1nc(C2CC2)no1 534675412 YIESKUJWUNYXCD-MRVPVSSYSA-N 294.336 1.382 0 50 CDAA Cc1cccc(CC2(NC(=O)CCc3nncn3C)CC2)c1 534635261 QDIHTOOKEBEPAM-UHFFFAOYSA-N 298.390 1.948 0 50 CDAA C[C@H](CS(C)(=O)=O)NCCCNc1cccc(F)c1 184462183 JZWZLDRKQHAKSE-LLVKDONJSA-N 288.388 1.650 0 50 CDAA CC[C@H](NC(=O)c1n[nH]nc1C)c1ccc(C)cn1 299789968 AEQMKLIJOZILIN-JTQLQIEISA-N 259.313 1.698 0 50 CDAA CCc1ccc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)nc1 299800446 WSDXUIZDIVLKIM-HOTGVXAUSA-N 299.378 1.581 0 50 CDAA CCn1nc(CO)c2c1CCN(CCCc1ccco1)C2 299769933 YJGHANNZROUSCB-UHFFFAOYSA-N 289.379 1.979 0 50 CDAA C[C@@H](CN1CCCC1)c1nc(CC(N)=O)nn1C(C)(C)C 822276831 SBWYTSMFCUMMMJ-NSHDSACASA-N 293.415 1.260 0 50 CDAA CCCc1cnc(C)nc1NC[C@@H]1CN(C)C(=O)CO1 823012025 FPISJXAXHKHAFO-GFCCVEGCSA-N 278.356 1.007 0 50 CDAA Cc1nnsc1C(=O)Nc1cnn(C(C)C)c1 577319153 WQTUIEJESKMQMS-UHFFFAOYSA-N 251.315 1.876 0 50 CDAA CCC1(CC)CN([C@@H](C)CS(C)(=O)=O)CCO1 822679068 BDXWLXDKLYKQTG-NSHDSACASA-N 263.403 1.311 0 50 CDAA Cc1nn(CCCn2cnc3nccnc3c2=O)c(C)c1C 584887771 LXSYAAXJVIBNGH-UHFFFAOYSA-N 298.350 1.399 0 50 CDAA CCOC(=O)N1CCC(NCCc2nc(CC)no2)CC1 584893503 CYMFEUPAOQBALA-UHFFFAOYSA-N 296.371 1.385 0 50 CDAA Cc1ncn(CCNC(=O)CN2CCCCC2)c1C 670448880 HKRGTIYHMKITII-UHFFFAOYSA-N 264.373 1.102 0 50 CDAA C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)O)c1ccccc1 585134800 KLRGRABDWPTRQQ-GWCFXTLKSA-N 287.319 1.530 0 50 CDAA CN(C)C[C@]1(CO)CCCN(C(=O)CC2CCCC2)C1 670469210 DUGYVEPFZIBCMJ-MRXNPFEDSA-N 282.428 1.729 0 50 CDAA CNC(=O)C[C@H]1CCN(CCOc2cccc(OC)c2)C1 670449431 GMRUUDGNBJXWIF-CYBMUJFWSA-N 292.379 1.532 0 50 CDAA NC[C@@H]1CNC[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 757218612 VHILDOGCIBXCCO-YTWAJWBKSA-N 265.323 1.101 0 50 CDAA C[C@@H]1C[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)NC[C@@H]1N 757210043 HQFSEQAUFRVGQX-NZFPMDFQSA-N 265.323 1.242 0 50 CDAA Cn1ccnc1C(=O)NCc1cccc2[nH]ccc12 952963570 LBMQKELHGTUGNK-UHFFFAOYSA-N 254.293 1.831 0 50 CDAA CCCCN(C(=O)CN1C(=O)CN(C)C1=O)C1CCCC1 952862368 OXVWLNPKFXXMBV-UHFFFAOYSA-N 295.383 1.452 0 50 CDAA O=C(N[C@H]1CCNC12CCC2)c1cccc2c1COCC2 1550073548 REWKEVMDURHNBE-HNNXBMFYSA-N 286.375 1.774 0 50 CDAA O=C1COc2cc(I)ccc2N1 72482095 RNGWLYQJCXPBKZ-UHFFFAOYSA-N 275.045 1.622 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC2(CCOC2)C1 408517849 XKWIFLJMVPUAJM-LLVKDONJSA-N 296.367 1.245 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cccn1C 275507267 KAHHGUAGWNRIHE-KBPBESRZSA-N 274.368 1.861 0 50 CDAA Cc1ccc(CN2C[C@@H](O)[C@H](O)C2)c(Br)c1 278416818 QYVSOVRIDKGOJD-VXGBXAGGSA-N 286.169 1.295 0 50 CDAA Cc1nc(C)c(F)c(N2C[C@H]3CCN(C)C[C@H]3C2)n1 631326755 MLBNBRFNIAEAND-NEPJUHHUSA-N 264.348 1.620 0 50 CDAA CC(C)(C(=O)Nc1nnn[nH]1)c1cccc(Cl)c1F 186636562 DOJGZBKLPZPOHD-UHFFFAOYSA-N 283.694 1.909 0 50 CDAA CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(F)cn1 187944197 JBPKDLZBKVAHAQ-LLVKDONJSA-N 280.303 1.209 0 50 CDAA CO[C@@H]1CN[C@@H](C(=O)NC/C=C/c2ccccc2)C1 189258643 ZDPJYFUCYOPUAH-VTDTZARESA-N 260.337 1.193 0 50 CDAA CCc1ccc(Cn2cc(C[C@H](O)C3CC3)nn2)nc1 641171266 OPXDQFUOWVXQEM-HNNXBMFYSA-N 272.352 1.597 0 50 CDAA Cc1c(CN(C)C(=O)N[C@@H]2CCO[C@@H]2C)cnn1C 555591949 PHTGQRUVSXPRJT-ZYHUDNBSSA-N 266.345 1.047 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2cscn2)C1(C)C 191718206 KAAKCITYZKTPNP-ZWNOBZJWSA-N 284.381 1.439 0 50 CDAA Cc1cccnc1C(F)(F)C(=O)N(C)c1cnn(C)c1 192593997 STLOTUIRUJQUFS-UHFFFAOYSA-N 280.278 1.878 0 50 CDAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1Cc1cc[nH]c1 583618747 DBKUBUKBPMWOPQ-ILXRZTDVSA-N 264.369 1.767 0 50 CDAA CC[C@H]1CCCC[C@H]1CN1CCC2(CC1)NC(=O)NC2=O 583650797 BIAFTEHYGYSCCT-STQMWFEESA-N 293.411 1.877 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1ccc(F)nc1F 585129592 OTMJYBFBWUEMPG-LURJTMIESA-N 266.269 1.136 0 50 CDAA Cc1nn[nH]c1NC(=O)Cn1nc(C(F)(F)F)cc1C 585126139 QCGGLRWUBIOMID-UHFFFAOYSA-N 288.233 1.276 0 50 CDAA O=C(CN1CCC[C@H]2c3[nH]cnc3CC[C@H]21)NC1CC1 1775987323 BJTIKHQXTUJQEI-DGCLKSJQSA-N 274.368 1.183 0 50 CDAA O=C(c1ccc2ncccc2c1)N1CCOC[C@@H](O)C1 77338052 ZOOJRPSFXWBYKL-ZDUSSCGKSA-N 272.304 1.068 0 50 CDAA Cn1ncc(Cl)c1C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 659163851 XDBLDQFHFLNKST-DTWKUNHWSA-N 297.742 1.256 0 50 CDAA Cc1nnc(CN2c3ccccc3C[C@@H]2CO)s1 661366500 SCXYQGYYJZGMAW-LLVKDONJSA-N 261.350 1.770 0 50 CDAA O=C(Cc1cscn1)N1CCO[C@H](COCC2CC2)C1 1615558371 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252.318 1.237 0 50 CDAA O[C@@H]1CN(CCOc2ccc(Cl)cc2)C[C@H]1F 1506396565 KWHJRNURLUASPG-VXGBXAGGSA-N 259.708 1.733 0 50 CDAA CC(C)CNc1ccccc1C(=O)N1C[C@H](O)CO1 1857696063 KTZWUUOBIRDDRO-NSHDSACASA-N 264.325 1.503 0 50 CDAA COc1cnc(C)cc1C(=O)N1CCCN(C)CC1 1857696589 IKBWGXNSTYDHLX-UHFFFAOYSA-N 263.341 1.176 0 50 CDAA COC[C@](C)(NC(=O)Nc1ccc(C)cc1)C(=O)O 225707993 GGTAQRYDUWZEMS-ZDUSSCGKSA-N 266.297 1.606 0 50 CDAA CCCc1nc(N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)no1 1704298332 JDUCICFFXLNEDX-ZYHUDNBSSA-N 291.355 1.093 0 50 CDAA Cc1cncc(C(=O)N(CCO)Cc2cnc(C)[nH]2)c1 1704312046 XWWAGDDNKMYAAG-UHFFFAOYSA-N 274.324 1.056 0 50 CDAA Cc1cccc(C(=O)N2C[C@@H](C)CS2(=O)=O)c1 835568172 OKZUOGPVCGFTDP-SNVBAGLBSA-N 253.323 1.417 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1Cl 6658246 CXINCYRLVYRZCZ-JTQLQIEISA-N 252.701 1.866 0 50 CDAA in-vitro O=C(O)[C@@H]1CCCCN1C(=O)CCC1CCOCC1 136534484 AMOXPCHBYKXADM-LBPRGKRZSA-N 269.341 1.659 0 50 CDAA CCCC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O 4763172 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Cc1ccccc1-c1noc(CN2C(=O)C[C@H]3NCC[C@H]32)n1 1857703240 NQNAYJGMPVACFF-CHWSQXEVSA-N 298.346 1.508 0 50 CDAA O=C1C[C@H]2N(Cc3ccccc3)CC[C@]23OCCCN13 1857707577 DTTRJMGSJPTCLL-ZBFHGGJFSA-N 272.348 1.610 0 50 CDAA Cc1c(COC(C)C)cccc1NC(=O)[C@@H]1COCCN1 236595904 JPILZZGVYVIQTM-HNNXBMFYSA-N 292.379 1.847 0 50 CDAA NC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)cc1 408523390 RJTIZHVMOIFCEA-CYBMUJFWSA-N 284.319 1.486 0 50 CDAA CN1CCN(C(=O)c2ccc(F)cn2)C[C@@H]1c1ncc[nH]1 328625690 KXRURUNJTGYPLI-GFCCVEGCSA-N 289.314 1.073 0 50 CDAA O=C(O)[C@@H](C1CC1)N1CCCC[C@@H]1CN1CCOCC1 635016752 OVVYEITYCSEINJ-ZIAGYGMSSA-N 282.384 1.036 0 50 CDAA O=C(O)C1(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC1 154927843 NHKZERUVXCVTOG-UHFFFAOYSA-N 286.287 1.009 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)C2(c3ccccc3)CC2)C[C@H]1O 1704300140 YPKOEIYBNKVHAJ-QWHCGFSZSA-N 289.331 1.012 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC(OC2CCC2)CC1 910915033 SUCUAUBEEFMWCF-UHFFFAOYSA-N 294.395 1.581 0 50 CDAA CCc1nc(O)c(C(=O)N2CCC[C@@H]3COC[C@@H]32)cc1C 822473569 OLKPUMSXAZFLHU-RISCZKNCSA-N 290.363 1.909 0 50 CDAA COc1cncc(N2CCN(Cc3nocc3C)CC2)c1 931211926 PMUQQXUIFBNIJY-UHFFFAOYSA-N 288.351 1.709 0 50 CDAA CC(C)(CNC(=O)C[C@@H]1CC(=O)NC1=O)C1=CCCCC1 935449977 KXNCCIBGPKJUFK-LLVKDONJSA-N 292.379 1.682 0 50 CDAA CN(c1nccc(Cl)n1)[C@H](O)c1cccnc1 1857795312 OACAQVZBYNDGOJ-SNVBAGLBSA-N 250.689 1.652 0 50 CDAA CCOc1cc(NC[C@@H](C(=O)O)C2CCOCC2)ncn1 863734281 CWJURTYMJPTROZ-LLVKDONJSA-N 295.339 1.415 0 50 CDAA O=C(NCc1ncc[nH]1)[C@H]1[C@H]2CC[C@@]1(c1nccs1)C2 1875300918 VXARUHOIAKAUAS-DRCTWCGVSA-N 288.376 1.850 0 50 CDAA COC[C@H]1C(=O)N[C@H](c2cc(C)nn2C2CCCC2)N1C 1875393526 IMHALZPKPSIHKA-KBPBESRZSA-N 292.383 1.382 0 50 CDAA Cn1c(-c2nc([C@]34OCCC[C@H]3C4(F)F)no2)cnc1O 1875392886 YLDWEQNIOAYHGI-RDDDGLTNSA-N 298.249 1.447 0 50 CDAA CC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(C)ccc1N 1775990672 AFELTFDJWPCJIV-ZDUSSCGKSA-N 289.379 1.708 0 50 CDAA CCN1CCN(CCSc2ccc(C)cc2)C(=O)C1=O 40456334 SUTBXBKZAZXAEC-UHFFFAOYSA-N 292.404 1.778 0 50 CDAA OC1(CN2CCC[C@H](Cn3cncn3)C2)CCCC1 407951036 OEFIKMIJAZATEL-ZDUSSCGKSA-N 264.373 1.295 0 50 CDAA CSCCN1CCN(C(=O)c2ccncc2F)CC1 584901644 DNZVDGMYAHXPJC-UHFFFAOYSA-N 283.372 1.342 0 50 CDAA COCc1ccccc1CN[C@@H]1CS(=O)(=O)C[C@@H]1C 711653023 GSWPOUXESDFEOK-SMDDNHRTSA-N 283.393 1.356 0 50 CDAA Cc1cc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)on1 829372149 RDQZHZSULVKNGO-LURJTMIESA-N 266.175 1.118 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1Cl 82430 VQEXAUSMIYWWFV-LLVKDONJSA-N 295.795 1.879 0 50 CDAA OCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 106740 KHZOQILVWCGYJV-UHFFFAOYSA-N 280.740 1.782 0 50 CDAA CCCn1[nH]nnc1=Nc1cc(OC)cc(OC)c1 2100473745 YCNYMBOYWHALBL-UHFFFAOYSA-N 263.301 1.266 0 50 CDAA Cc1cnc(Nc2c(C)nn(CCO)c2C)nc1N(C)C 2100542817 GUWRUFDRAJKLOQ-UHFFFAOYSA-N 290.371 1.400 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2ccc3ccn(C)c3n2)C1 2100534418 HIIJRESKSZQTGA-NSHDSACASA-N 287.319 1.208 0 50 CDAA C[C@@H]1C[C@@H]1c1noc(CC(=O)NOC2CCC2)n1 2325798076 LVALGZQBLRHFKL-APPZFPTMSA-N 251.286 1.336 0 50 CDAA Cc1noc([C@H]2COCCN2C(=O)[C@H]2CC2(C)C)n1 120975858 HCRDMDADVVNLIM-NXEZZACHSA-N 265.313 1.324 0 50 CDAA O=C(NN1C(=O)c2ccccc2C1=O)c1cc(O)cc(O)c1 66182 RYHDFGIPGHKVED-UHFFFAOYSA-N 298.254 1.039 0 50 CDAA NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 95484 GJGNUGTYQMWDKJ-UHFFFAOYSA-N 284.271 1.736 0 50 CDAA Nc1nnc(SCC(=O)Nc2cccc(F)c2)s1 207937 LKKPNGBSDUQHRT-UHFFFAOYSA-N 284.341 1.990 0 50 CDAA O=C(O)CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 266565 SFHCMXCGDCGBOJ-VIFPVBQESA-N 299.735 1.790 0 50 CDAA COc1ccc(-c2nc3ccccc3c(=O)n2N)cc1 314307 ARZJEBXFTPBYCK-UHFFFAOYSA-N 267.288 1.786 0 50 CDAA COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccccc1 364274 JVMZOUSLJQEGLC-ZDUSSCGKSA-N 288.303 1.746 0 50 CDAA Cc1ccc(F)cc1NC(=O)c1nc2ncccn2n1 923926 QWXMKLRJPKRWOQ-UHFFFAOYSA-N 271.255 1.824 0 50 CDAA O=C(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1 1326078 IHSVKIQLCNMTQO-UHFFFAOYSA-N 293.330 1.635 0 50 CDAA biogenic COc1cccc(C(=O)[C@H](CCC(=O)O)CC(=O)O)c1 2143643 XEBLDFMSMGYJNV-SNVBAGLBSA-N 280.276 1.834 0 50 CDAA Cc1nonc1[C@H]1CCCN1C(=O)c1cccc2ncnn12 2356137726 XCLDOWIOAASBEC-SNVBAGLBSA-N 298.306 1.398 0 50 CDAA CCN(CC)CCCCCCn1c(C)cc(=O)n(C)c1=O 2381332 YYYXGHHHQGNSIJ-UHFFFAOYSA-N 295.427 1.758 0 50 CDAA COc1cc2c(cc1OC)CN(C1CCNCC1)CC2 2559689 GAGMAKLCMYOEKJ-UHFFFAOYSA-N 276.380 1.814 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CC1CCOCC1)C(=O)O 2583456 NKYZORHKIYSSEL-SNVBAGLBSA-N 273.329 1.781 0 50 CDAA CC(C)C[C@@H](C(N)=O)N1C(=O)c2ccccc2C1=O 3958863 CLYIXMIVGZWGSH-NSHDSACASA-N 260.293 1.183 0 50 CDAA COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O 4731725 RUTCQOYKOYXDJY-QWHCGFSZSA-N 290.363 1.817 0 50 CDAA O=C(NCc1ccco1)C(=S)N1CCCCC1 4825562 QUVJSDYFWILINP-UHFFFAOYSA-N 252.339 1.709 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1 7814755 BITNETQOCMZGKF-NSHDSACASA-N 262.334 1.652 0 50 CDAA CCCCc1cc(NC(=O)c2ccc(C(N)=O)nc2)[nH]n1 133084033 YVHRDNJVVNJOCA-UHFFFAOYSA-N 287.323 1.499 0 50 CDAA Cc1n[nH]cc1CNC[C@](C)(CO)c1ccccc1 342197234 BXRFWGDZZONVBG-OAHLLOKOSA-N 259.353 1.758 0 50 CDAA COC(=O)N1CCC(N[C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 225621349 OEDQTDPOMDPALY-HZSPNIEDSA-N 294.395 1.764 0 50 CDAA CC(C)(O)c1cn(CC2CCN(C3CCC3)CC2)nn1 20513774 WZOHDMXLBIAPBF-UHFFFAOYSA-N 278.400 1.770 0 50 CDAA COC[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CCCO1 345526278 RMNNWLACMBWYIK-HTVCTNPSSA-N 265.353 1.509 0 50 CDAA COC(=O)c1ncccc1O[C@@]12CCCN(CC1)C2 67805979 QDDLHJJTQHPMOO-AWEZNQCLSA-N 262.309 1.485 0 50 CDAA CC(=O)c1ccccc1NC(=O)Cn1ncsc1=O 135471549 IIYQHYBKPVERMY-UHFFFAOYSA-N 277.305 1.146 0 50 CDAA O=C(CCO)N1CCc2onc(-c3ccccc3F)c2C1 67588854 ZYSNTDPGFWSAQB-UHFFFAOYSA-N 290.294 1.748 0 50 CDAA CC(C)(C)OC(=O)N1CC2(C1)OCC[C@@H]2CCN 306136784 QDFYBBOCEAHFOU-JTQLQIEISA-N 256.346 1.361 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1n[nH]c2c1CCC2 328644861 ZMARWXUROSAJRY-LLVKDONJSA-N 299.378 1.430 0 50 CDAA Nc1[nH]nc(C(=O)N[C@@H]2CC[C@@H](N)C2)c1-c1ccccc1 67673326 YFLDWGDFENRKEF-GHMZBOCLSA-N 285.351 1.269 0 50 CDAA Cc1nn(C)cc1-c1nc2c([nH]1)CC(C)(C)CNC2=O 65494812 GMZHNDLLGZOMRY-UHFFFAOYSA-N 273.340 1.431 0 50 CDAA COCC[C@@H]1CCCCN(CCN2CCO[C@H](C)C2)C1 253397108 IHHVZVKZMZKQBQ-CVEARBPZSA-N 284.444 1.846 0 50 CDAA C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)C1CC1)C1CC1 518754893 QRNBYOZJOFZJLE-MISXGVKJSA-N 296.411 1.014 0 50 CDAA Cc1ccc(C(=O)O)c(N2CCC[C@H]2Cn2ccnc2)n1 32553579 NWFNVEGLDJMOFL-LBPRGKRZSA-N 286.335 1.954 0 50 CDAA C/C=C/Cc1nnc(C(=O)N(C)C[C@@H]2CCCN2C)o1 71774862 NXPWMQXFFQXPNC-ZWNMCFTASA-N 278.356 1.354 0 50 CDAA C[C@H](C[C@@H](O)c1ccco1)NC(=O)[C@@H](O)c1ccccc1 121478781 MSRDLEZPCVVYGX-KYOSRNDESA-N 289.331 1.941 0 50 CDAA CCC[C@H](NC(=O)c1ccnc(OCCOC)c1)C(=O)O 431816444 WNOPUUCJZBRPKG-NSHDSACASA-N 296.323 1.090 0 50 CDAA Cc1nc(N)sc1S(=O)(=O)c1ccc(N)cc1 71770984 CJBFPBUEUKJTDG-UHFFFAOYSA-N 269.351 1.449 0 50 CDAA O=C1CN([C@H]2C=CCCC2)CCN1CC(F)(F)F 253417341 KLGLZAIAFQGWFX-JTQLQIEISA-N 262.275 1.802 0 50 CDAA Cn1cccc1CN[C@H]1CCN(C(=O)c2ccncc2)C1 363858948 MYXGOJVFSQWZDZ-AWEZNQCLSA-N 284.363 1.424 0 50 CDAA C[C@@H](NC(=O)c1cccn1C1CCNCC1)c1ncon1 125504974 NEFSZMMFLOYLFV-SNVBAGLBSA-N 289.339 1.287 0 50 CDAA C[C@H](NC(=O)NC1CCN(C)CC1)c1ccncc1F 241634575 PNNOGVGHALLXSQ-JTQLQIEISA-N 280.347 1.675 0 50 CDAA Cn1nnc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)n1 365357774 MSWPULFFRRQCFT-GFCCVEGCSA-N 285.351 1.746 0 50 CDAA COC1CCC(NS(=O)(=O)N2CCCCCC2)CC1 332354370 SAFKFTXGYHFIHK-UHFFFAOYSA-N 290.429 1.654 0 50 CDAA CC1(C)CCC[C@@]1(O)CNC(=O)C[C@@H]1CCCC(=O)N1 332915384 WOZFHHIIUDDTSX-XHDPSFHLSA-N 282.384 1.103 0 50 CDAA CN1C(=O)CN(S(=O)(=O)CC2CC2)[C@H]1c1ccccc1 333036094 NKXVMIRTYKSUOH-AWEZNQCLSA-N 294.376 1.199 0 50 CDAA CN1C(=O)C[C@H](CNC(=O)c2cn[nH]c2)c2ccccc21 215823727 FGGSJJKFQRXKFY-SNVBAGLBSA-N 284.319 1.290 0 50 CDAA CC(C)[C@@]1(CO)CCN(C(=O)COCC2CC2)C1 378033479 DUNUSYXUGTYYNI-AWEZNQCLSA-N 255.358 1.280 0 50 CDAA O=C(NCc1cccs1)[C@H]1CC12CCNCC2 70252270 RNABDQUSTABCOM-LLVKDONJSA-N 250.367 1.754 0 50 CDAA NC(=S)c1nnc2c(-c3ccccc3)cnn2c1N 72406682 VYLWGFMJXQSBEB-UHFFFAOYSA-N 270.321 1.008 0 50 CDAA Cc1ccccc1CSCCNC(=O)C1(N)CC1 71524318 QJUCSLUXPHXBPK-UHFFFAOYSA-N 264.394 1.836 0 50 CDAA COC(=O)c1cc(CN(CCO)C2CCC2)cnc1Cl 521396489 GNIXDZZIUZQCGE-UHFFFAOYSA-N 298.770 1.868 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 237938015 ZFYPPXWUOYXYDQ-RRFJBIMHSA-N 296.411 1.300 0 50 CDAA CC(C)c1cc(N[C@@H]2CCCNC2=O)n2nccc2n1 72431268 FHSCVGBVMBQNLX-SNVBAGLBSA-N 273.340 1.543 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(-c2ncon2)cc1 238083893 HMRDOZUXRYZMGE-LLVKDONJSA-N 287.275 1.426 0 50 CDAA CCOC(=O)c1cn(CC)c2cc(N)ccc2c1=O 71772098 VCQJXHMIFCXKRA-UHFFFAOYSA-N 260.293 1.780 0 50 CDAA CC(C)Oc1ccccc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 285354360 DPTKOYYFBRSMJT-DGCLKSJQSA-N 290.363 1.667 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2c2nnc(C)o2)c1 284411062 BNGQNCPYCWJOGN-WCQYABFASA-N 275.308 1.699 0 50 CDAA N[C@H]1CCN(C(=O)NCCCc2ccc(O)cc2)C1 417741182 IUDYTDZRVIRYOW-LBPRGKRZSA-N 263.341 1.067 0 50 CDAA Cc1cccc(NC(=O)N2CC(O)(C(F)F)C2)n1 606444370 SCIIXBNMEFFQQQ-UHFFFAOYSA-N 257.240 1.234 0 50 CDAA CCOCC1CCN(c2cc(C3CC(N)C3)ncn2)CC1 220134094 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178938729 IOKMCDSPMQISEP-FZMZJTMJSA-N 288.347 1.513 0 50 CDAA CC(C)(C)c1nnc(N2CCC3(CC2)OCCC[C@@H]3O)o1 95384950 LMBJBFPLINPFMK-NSHDSACASA-N 295.383 1.877 0 50 CDAA CCn1ccc(CN2C(=O)COc3ccc(F)cc32)n1 95367104 VPWNFSXXSBQKQR-UHFFFAOYSA-N 275.283 1.968 0 50 CDAA Cc1cc(NC(=O)NCCOCCO)c(Cl)cc1F 95502952 QPYKGIJIAVAHCU-UHFFFAOYSA-N 290.722 1.918 0 50 CDAA Cn1c(C(=O)NCCc2cnn[nH]2)cc2cc(F)ccc21 426382933 PMDYMYVFXWXBPZ-UHFFFAOYSA-N 287.298 1.408 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)C1CCN(C(C)C)CC1 95527640 PITAWFVBKFLTOJ-LBPRGKRZSA-N 293.415 1.596 0 50 CDAA CCC[C@H](C)c1cn(CCc2cc(=O)[nH]c(C)n2)nn1 91537064 BQYMJILSKWHSCJ-JTQLQIEISA-N 275.356 1.816 0 50 CDAA CCC[C@@H]1CN(Cc2nc(C(C)C)no2)C[C@H]1NC(C)=O 95500316 GRFBGYMOWJDUOQ-CHWSQXEVSA-N 294.399 1.930 0 50 CDAA CC(=O)N[C@@H]1CCN(c2nnc(C(C)(C)C)o2)C1 95378136 GJPHFEBOVXVVHO-SECBINFHSA-N 252.318 1.082 0 50 CDAA CCc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1C 91706525 AHJGGXSEPXCPLX-ABAIWWIYSA-N 261.369 1.945 0 50 CDAA CC(=O)c1ccc2cc(NC[C@H](N)C(=O)O)ccc2c1 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OC[C@H](CN=c1[nH]c2ccccc2o1)Cc1cccnc1 408523753 MXJUKJOLJQJILB-ZDUSSCGKSA-N 283.331 1.908 0 50 CDAA CN(Cc1nccs1)C(=O)c1c[nH]nc1[C@H]1CCOC1 276029357 RATGHFPFAPWTPK-VIFPVBQESA-N 292.364 1.642 0 50 CDAA CCCNCCNC(=O)Cc1cc(F)ccc1F 170689539 ZODBOVZWBWMULA-UHFFFAOYSA-N 256.296 1.623 0 50 CDAA Cn1cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)nn1 677762784 RQVGPFPJVUHBHA-GFCCVEGCSA-N 297.366 1.237 0 50 CDAA CN(C)c1ncccc1N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 585080972 ORRTWCSZRDLSEM-QWHCGFSZSA-N 299.378 1.648 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2CC(N3CCOCC3)C2)CC(C)(C)C1 585130404 OZSWSVYSPNNSMS-ZIAGYGMSSA-N 294.439 1.992 0 50 CDAA CCCc1nc(COc2cncc(C(=O)OC)c2)no1 585123152 XXUYIKKWNQXWPL-UHFFFAOYSA-N 277.280 1.783 0 50 CDAA Cc1cc(=NC(=O)[C@H]2CCCO[C@H]2C(C)C)[nH]nc1C 565299808 OVMPJKQREXVATQ-JSGCOSHPSA-N 277.368 1.905 0 50 CDAA Cc1ccc(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 198241648 CJNWTVQHXURXMN-AWEZNQCLSA-N 295.404 1.539 0 50 CDAA Cc1nc(N2CCC[C@]2(C)CCCO)c2cnn(C)c2n1 754058163 MLLPMYPSETVSIG-OAHLLOKOSA-N 289.383 1.803 0 50 CDAA C[C@H]1C[C@H]1C(=O)Nc1cnc2cc(C(=O)O)ccn12 1615055228 KLQVSQUGUPXFMB-IONNQARKSA-N 259.265 1.627 0 50 CDAA O=C(c1ccc2nn[nH]c2c1)N1CCC[C@H]1C1(O)CC1 1772812960 RZVRWHSRJMXHLI-LBPRGKRZSA-N 272.308 1.087 0 50 CDAA CC(=O)NC(C)(C)C[C@@H](C)NCc1nc(C)cc(C)n1 1506408282 WTZNLTLHUDIWEQ-GFCCVEGCSA-N 278.400 1.876 0 50 CDAA C[C@@H](C(=O)N(C)Cc1cccc2cccnc12)n1cnnn1 1506404731 FKFQOMLNFJNOPB-NSHDSACASA-N 296.334 1.441 0 50 CDAA O=C(NC[C@H]1C[C@H]2CCCC[C@@H]2O1)[C@H]1CCCO1 1857527703 JQLPRNDQLWVZOS-FVCCEPFGSA-N 253.342 1.629 0 50 CDAA OC[C@]12CCCN[C@@H]1CN(c1nccs1)CC2 1704336348 GLFQSKBNFMSETR-ZYHUDNBSSA-N 253.371 1.084 0 50 CDAA Cc1[nH]cnc1C(=O)N1CC[C@](C)(O)[C@H](CC(C)C)C1 213328087 FGFXSIOJXKZLFU-DOMZBBRYSA-N 279.384 1.977 0 50 CDAA CC(C)OCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1616079219 SEQTVRNSSZTJPS-KGLIPLIRSA-N 278.352 1.180 0 50 CDAA COc1ccc(OCCCN2CCNCC2)cc1 19728647 QCMGYWUAZZLDTG-UHFFFAOYSA-N 250.342 1.369 0 50 CDAA CCc1ccccc1S(=O)(=O)NCc1cocn1 521394004 ZPHMYNCDPGLKTJ-UHFFFAOYSA-N 266.322 1.716 0 50 CDAA CO[C@@H]1C[C@@H](Nc2ncnc(N)c2Cl)C1(C)C 234762442 NLNBULMFAUGLPD-RNFRBKRXSA-N 256.737 1.938 0 50 CDAA CCCCNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)O)C1 236783562 FIYZSOYIZSOLTN-WDEREUQCSA-N 256.346 1.088 0 50 CDAA C[C@H](OCC(F)(F)F)C(=O)N1CC[C@@](C)(C(=O)O)C1 237561475 AFWQLTIXMQZXIF-OIBJUYFYSA-N 283.246 1.277 0 50 CDAA CCc1c(C(=O)N2CCS(=O)CC2)cnn1CC(C)C 130950784 VAXXSPLITGHHNY-UHFFFAOYSA-N 297.424 1.306 0 50 CDAA C[C@H](c1nnc2n1-c1ccccc1OC2)N1CCOCC1 1772805627 MYZQASBDCWQEMR-LLVKDONJSA-N 286.335 1.553 0 50 CDAA CCc1cc(N2C[C@H]3C[C@@H](O)[C@H]3C2)nc(N2CCCC2)n1 1772710863 SUCIWEIHZAGWOO-KWCYVHTRSA-N 288.395 1.456 0 50 CDAA OC[C@]12CNC[C@H]1CN(CCCOCc1ccccc1)C2 1772706932 VLRRZJFNQUNBEF-DLBZAZTESA-N 290.407 1.107 0 50 CDAA C[C@H]1C[C@@H](C)C[C@@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1=O 5528197 YPHMISFOHDHNIV-QCZKYFFMSA-N 281.352 1.042 0 50 CDAA biogenic,in-vitro COC[C@H]1CCN(C(=O)c2cn(C3CCCCC3)nn2)C1 15080141 MZIJJRJHIZGCAH-LBPRGKRZSA-N 292.383 1.892 0 50 CDAA CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)O)nn1 16776756 LMXUUUWBCHVSKG-UHFFFAOYSA-N 291.282 1.716 0 50 CDAA CN(C)c1ccc(C(=S)N2CCN(CCO)CC2)cc1 19842587 FYZMIHWOZKQMHP-UHFFFAOYSA-N 293.436 1.038 0 50 CDAA O=C(O)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 19850430 XQZPMWAWYUHYSA-CQSZACIVSA-N 283.331 1.931 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2n[nH]c3ccccc23)n[nH]1 161597819 QELUMJFLBPEQGQ-SECBINFHSA-N 283.335 1.955 0 50 CDAA CC[C@@H](NC(=O)CN1CCCC1=O)c1ccncc1 158596809 OTRPNABMZLCHMK-GFCCVEGCSA-N 261.325 1.271 0 50 CDAA CC[C@@H]1C[C@H](CC(=O)N2C[C@H](OC)C[C@H]2CO)CCO1 330542178 IKUZLLKNCDSRTF-XJFOESAGSA-N 285.384 1.190 0 50 CDAA NC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 1750789 PWVADVOBRVKZSE-UHFFFAOYSA-N 293.706 1.799 0 50 CDAA Cn1c(N2CCC(NCCO)CC2)nc2cccc(F)c21 520674741 FLIGVUWGYHGEOW-UHFFFAOYSA-N 292.358 1.263 0 50 CDAA C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=N)O)n1cncn1 332178004 VWHMCIGNGNYVKE-GWCFXTLKSA-N 299.334 1.328 0 50 CDAA CO[C@@](C)(C(=O)Nc1nc(C)n(C)n1)c1ccccc1 253418596 CRNLVIZDHMVTTR-CQSZACIVSA-N 274.324 1.624 0 50 CDAA O=C(c1cc2ccccn2c1)N1CC[C@@](O)(C(F)F)C1 582344350 GFQRCISWGGGOQP-AWEZNQCLSA-N 280.274 1.781 0 50 CDAA Cc1ncc(CN2CC[C@H](CC(N)=O)C2)n1-c1ccccc1 377852746 TVOJYHPGTKXBEL-CQSZACIVSA-N 298.390 1.878 0 50 CDAA C[C@H](NC(=O)c1c(O)cccc1F)c1cnn(C)c1 126050349 WSMXBYNHGXYHDM-QMMMGPOBSA-N 263.272 1.756 0 50 CDAA Cc1cc2c(N3CC[C@H](C(=O)O)[C@H](O)C3)ncnc2s1 1704324600 BCLRJQMXTJISJO-WCBMZHEXSA-N 293.348 1.272 0 50 CDAA O=C(O)C1=CC[C@@H](NC(=O)[C@H](O)C2CCCCCCC2)C1 907725128 XEVJRFJJXQFUCG-ZIAGYGMSSA-N 295.379 1.997 0 50 CDAA CC(C)[C@@H](CN(C)C)NC(=O)c1nncc2ccccc12 932712202 HZACTYYYKMXDJQ-CQSZACIVSA-N 286.379 1.946 0 50 CDAA C[C@H](CNC(=O)c1ccsc1C(F)F)S(N)(=O)=O 935182076 DBNLJKIAWIDMDH-RXMQYKEDSA-N 298.336 1.093 0 50 CDAA COc1cc(N2CCN(Cc3cnon3)CC2)ccc1F 852019328 YFYUDLUQRQAKSF-UHFFFAOYSA-N 292.314 1.540 0 50 CDAA O=C(NCCc1ccc(F)cc1)[C@@H]1NCC12CCOCC2 852772060 JOZMTKIUYIAMRK-AWEZNQCLSA-N 292.354 1.253 0 50 CDAA C=CC(=O)N1CCC(Oc2ncccc2F)CC1 863971248 LRBRAKBFOKDDJV-UHFFFAOYSA-N 250.273 1.777 0 50 CDAA CSC[C@@H](C)C(=O)NCc1nc(C(F)(F)F)no1 863947791 HMRURPTWGVNDGX-RXMQYKEDSA-N 283.275 1.704 0 50 CDAA C=CC(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 863971313 OEHSTBPJDDVPNG-UHFFFAOYSA-N 280.349 1.347 0 50 CDAA O=C(N[C@H]1CCO[C@H]1c1nc[nH]n1)c1cccn1C1CC1 952888711 NUJGZEMBQYIUOC-CMPLNLGQSA-N 287.323 1.201 0 50 CDAA Cc1cc(N2CCC([C@@H]3CC[C@H](C(N)=O)O3)CC2)ccn1 952890639 XMQRDSXYYYIZSJ-LSDHHAIUSA-N 289.379 1.639 0 50 CDAA Cc1ccccc1[C@H](C)C(=O)Nc1cc(CO)nn1C 1875280788 WVNNBRUHZONTQH-NSHDSACASA-N 273.336 1.963 0 50 CDAA Cc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1 1875330258 UVWFKZVTTZULQW-UHFFFAOYSA-N 269.304 1.670 0 50 CDAA CCS(=O)(=O)/C=C/C(=O)NC[C@H](C)c1ccccc1 1875381646 CABCIOHACPJJGP-VMPCVLLUSA-N 281.377 1.855 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1CSc2ccccc21 1875333358 PPBXIVLIRPYLOM-TZOMUSMUSA-N 277.345 1.721 0 50 CDAA O=C(N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O)c1ccc(F)o1 1875403047 PLHJADZGAUGMOP-HBNTYKKESA-N 293.298 1.185 0 50 CDAA COc1cn(C)nc1[C@H](C)Nc1cc(-n2ccnc2)ncn1 1164220130 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WATTZRWFQIOROM-MRXNPFEDSA-N 290.363 1.054 0 50 CDAA COc1cc(C(=O)NC2CCN(C)CC2)ccc1F 124310691 HOUNSUFOPLLQPL-UHFFFAOYSA-N 266.316 1.658 0 50 CDAA C[C@H](Oc1ccccn1)C(=O)N1CC2(CCOC2)C1 333028623 BHLIDIZUSAMASA-NSHDSACASA-N 262.309 1.098 0 50 CDAA CS(=O)(=O)N1CC[C@H](CN2CCCc3occc3C2)C1 367991981 ACQUFOUYTWRINM-GFCCVEGCSA-N 298.408 1.309 0 50 CDAA CCNc1ncc(CN2CCN(c3ccncc3)CC2)cn1 214962553 SUXBGFCFCGCVRN-UHFFFAOYSA-N 298.394 1.626 0 50 CDAA Cc1cc(=NC(=O)C2CCN(C)CC2)[nH]n1-c1ccccc1 334412097 NKXAARZJZIYXBX-UHFFFAOYSA-N 298.390 1.883 0 50 CDAA O=C(Cc1c[nH]c2ccccc12)N1C[C@@H](F)C[C@H]1CO 336253462 ZEBJPFQSRYKKLD-RYUDHWBXSA-N 276.311 1.642 0 50 CDAA Cc1cccnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 284745553 VCFUVHYHHZBLSK-NUEKZKHPSA-N 276.380 1.752 0 50 CDAA C[C@@H]1CN(CCOc2ccc(Cl)cc2)C[C@H]1C(N)=O 285708404 BUWUWNRPMIEKFL-ZWNOBZJWSA-N 282.771 1.772 0 50 CDAA CCOC(=O)N1CCC[C@H](CN2CCC(N)CC2)C1 40457336 IOHZAHYPOHFUCU-GFCCVEGCSA-N 269.389 1.278 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H](C)n1ccnc1C 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CDAA COC(=O)c1ccccc1CCSc1nnnn1C 186360567 HGZXCFKEQRHXBQ-UHFFFAOYSA-N 278.337 1.332 0 50 CDAA Cn1cc([C@@H]2CN(c3nc4ccccc4[nH]3)C[C@H]2CO)cn1 277999746 NMTKMIOHSOHYEQ-STQMWFEESA-N 297.362 1.509 0 50 CDAA CN(C)C(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 170011475 GVVSJSMXQIKXQN-UEKVPHQBSA-N 266.385 1.796 0 50 CDAA CC(C)C(=O)N1CC[C@H](N[C@@H]2CCCSC2)C1 170074616 KEDGNJXMMSRNBD-NWDGAFQWSA-N 256.415 1.729 0 50 CDAA Cc1cccn(CC(=O)OCC[C@@H]2CCCO2)c1=O 170591702 LWQYSGWVWLPFGF-LBPRGKRZSA-N 265.309 1.269 0 50 CDAA CC(C)(O)CN(C(=O)c1cccc2cn[nH]c12)C1CC1 190116404 BHERYJFUNOOHEH-UHFFFAOYSA-N 273.336 1.938 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 668295200 LUEIGLFZRFMDMO-WJTVCTBASA-N 281.352 1.513 0 50 CDAA COc1ccccc1N1CC[C@@H](n2ccnc2)C1=O 192628763 XQOUBIYFZMTQHT-GFCCVEGCSA-N 257.293 1.870 0 50 CDAA CCO[C@@H]1C[C@@](NC(=O)C2CC=CC2)(C(=O)O)C1(C)C 193052395 BVAPWUTUDFDGNB-IAQYHMDHSA-N 281.352 1.727 0 50 CDAA CCO[C@@H]1C[C@@](NC(=O)c2ccoc2)(C(=O)O)C1(C)C 193024358 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CN(C)Cc1cc(CN2CC[C@@H](O)C23CCCC3)no1 1615052055 WWGCRFDMWRDCJI-CQSZACIVSA-N 279.384 1.616 0 50 CDAA CSc1ccc(C(=O)N2C[C@@H](O)[C@H](F)C2)cc1 1857683789 NNVFEVBQXOMTMP-GHMZBOCLSA-N 255.314 1.563 0 50 CDAA Cc1c(NC(=O)[C@H](C)CN2CCCCC2)cnn1C 1506401948 HHGPJPRWLNGJNY-LLVKDONJSA-N 264.373 1.789 0 50 CDAA Nc1ncc(/C=C/C(=O)N2Cc3ccccc3[C@H](O)C2)cn1 1506409985 QEGGPNTXTRHFEC-VBROQKIQSA-N 296.330 1.148 0 50 CDAA C[C@@H](O)CN(C)C(=O)CC1CCC(C(=O)O)CC1 911271006 IYEMDKABJUDHCG-KPPDAEKUSA-N 257.330 1.107 0 50 CDAA CC[C@@]12COC(=O)N1CCN(Cc1nnc(C)s1)C2 1857694387 ACGDOORMCTUGTD-GFCCVEGCSA-N 282.369 1.263 0 50 CDAA CN(CCn1cccn1)c1ncnc(N)c1Cl 225478970 QKJCDYPDLQUTCJ-UHFFFAOYSA-N 252.709 1.045 0 50 CDAA COc1cc(C)c(CN(C)Cc2cn(C)nn2)cc1OC 336845401 PGRFQAOAYUUNRL-UHFFFAOYSA-N 290.367 1.773 0 50 CDAA CN(C)S(=O)(=O)c1cnn(CC=C(Cl)Cl)c1 585093537 QJJBJNIYXBNWBX-UHFFFAOYSA-N 284.168 1.452 0 50 CDAA COC(=O)c1ncc(Br)nc1Br 34781566 UGSDJCJVOHRWIA-UHFFFAOYSA-N 295.918 1.788 0 50 CDAA in-vitro Cc1nnnn1Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(C)C2)cc1 1772806896 LWUHYWIBGCFCAO-GOEBONIOSA-N 297.362 1.512 0 50 CDAA O=C(COC[C@@H]1CCCCO1)N1CCC(C2(O)CC2)CC1 1772816115 IRMDTPBBCDQOIZ-AWEZNQCLSA-N 297.395 1.336 0 50 CDAA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@H]2C[C@@]2(C)C1 1772805355 LZBAAJJUNDCPKI-ABAIWWIYSA-N 275.352 1.600 0 50 CDAA O=C(O)Cc1ccccc1I 5018455 IUHXGZHKSYYDIL-UHFFFAOYSA-N 262.046 1.918 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccccc2NS(C)(=O)=O)C1 13672609 XNOZERLRCMADOP-LLVKDONJSA-N 296.392 1.930 0 50 CDAA OCCN1CCN(C2CCN(C3CCCCC3)CC2)CC1 19877271 CIYLQGMJOMSISA-UHFFFAOYSA-N 295.471 1.393 0 50 CDAA CN1CC[C@@H](n2ccnc2-c2ccccc2C(=O)O)C1=O 1857675945 MCGYCNQBUCQXIO-GFCCVEGCSA-N 285.303 1.652 0 50 CDAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@H]1COCCN1 225488919 FXXUPBAXIYYWAM-BPLDGKMQSA-N 274.364 1.379 0 50 CDAA CC(C)(C)OC(=O)N[C@H](Cc1ccncc1)C(=O)O 2567682 FNYWDMKESUACOU-SNVBAGLBSA-N 266.297 1.602 0 50 CDAA in-vitro CN[C@H]1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)C1 417104819 IXYUPZMFSADDJZ-AWEZNQCLSA-N 291.370 1.861 0 50 CDAA CCCCS(=O)(=O)N1CC[C@H](Oc2ccc(C)nc2)C1 328628954 OGFHHOZTUXFMNQ-AWEZNQCLSA-N 298.408 1.973 0 50 CDAA Cc1ccccc1CNC(=O)CN1CCC[C@@]1(C)C(=O)O 530207244 QDXUBVMIGHDTRC-INIZCTEOSA-N 290.363 1.550 0 50 CDAA CCO[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 330530034 ZKJHMBHYFGCUCX-UWVGGRQHSA-N 297.380 1.498 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H](C)OC[C@@H]2CCCCO2)C[C@H]1C(=N)O 330574535 POEUHBVTGQZBNL-FVCCEPFGSA-N 298.383 1.590 0 50 CDAA C[C@H](CN(C)C(=O)[C@H]1Cc2cccc(F)c2O1)C(=O)O 237566825 IGGOOEMOTPEIRE-LDYMZIIASA-N 281.283 1.308 0 50 CDAA CO[C@H](C(=O)N1CCCN(c2nccs2)CC1)C1CC1 240540877 GPXHZDNEHSBRDZ-LBPRGKRZSA-N 295.408 1.607 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@H]13)O2 242473292 FFNNGZCWWSPFHR-YXMPFFBPSA-N 289.262 1.197 0 50 CDAA in-vitro O=C(O)[C@H]1CN(C(=O)c2cscn2)c2ccccc21 133857129 BSEQJYSAVOVOEN-VIFPVBQESA-N 274.301 1.972 0 50 CDAA CCCCO[C@H](C)C(=O)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 253404692 PLDKKOLCZTXTGY-MNOVXSKESA-N 296.371 1.009 0 50 CDAA O=C1NCCN1[C@H]1CCCN(Cc2ccc(CO)cc2)C1 368018415 LOEJDIYLWXCTQD-HNNXBMFYSA-N 289.379 1.169 0 50 CDAA CC[C@H](C)C[C@@H](NC(=O)c1ccn(C)n1)C(=O)OC 585089649 CELJOUSPEPJFFC-GXSJLCMTSA-N 267.329 1.128 0 50 CDAA Cn1nc2c(c1NC(=O)c1ccc3c(c1)nnn3C)CCC2 264126091 GZHOIVUNHANUKK-UHFFFAOYSA-N 296.334 1.443 0 50 CDAA CCOC(=O)[C@@H]1C(=O)CCN(Cc2ccccc2)C1=O 34745347 UHKZGSSYNVLIHY-CYBMUJFWSA-N 275.304 1.167 0 50 CDAA in-vitro Cc1nnc(CN2CCOC[C@H]2c2cccn2C)o1 162461799 WZZVHNKZEGTGMM-LBPRGKRZSA-N 262.313 1.290 0 50 CDAA c1nc(NCc2nncn2C2CC2)c2cc[nH]c2n1 264783534 RDXJNPDVFNXBIX-UHFFFAOYSA-N 255.285 1.496 0 50 CDAA CSC1(C(=O)N[C@H]2CCc3ccccc3NC2=O)CC1 594071045 WGFFARKCFRIRJP-LBPRGKRZSA-N 290.388 1.952 0 50 CDAA Cn1nccc1CNC(=O)c1cnc(NC2CC2)s1 900142646 UUQBUZVGJQMVIC-UHFFFAOYSA-N 277.353 1.381 0 50 CDAA CC(C)[C@@H](CO)NC(=O)c1nc(-c2ccccc2)ns1 902892973 PCEGXPVKDYRQAK-LLVKDONJSA-N 291.376 1.952 0 50 CDAA COc1cccc(CN2CCOC[C@H]2c2nc[nH]n2)c1C 930382333 RYLAVVAUVRWROB-ZDUSSCGKSA-N 288.351 1.695 0 50 CDAA COC[C@@H]1COCCN1C(=O)N[C@@H](C(C)C)C(F)(F)F 931039715 RFALQYIMHWSHQB-ZJUUUORDSA-N 298.305 1.630 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](CC(=O)O)OCC12CC2 1857779315 DEYJMXSCWQSUPH-VIFPVBQESA-N 271.313 1.630 0 50 CDAA COC1(c2nnc(NCC(F)(F)F)o2)CCOCC1 863981762 LFWUXSRPLRYWJC-UHFFFAOYSA-N 281.234 1.696 0 50 CDAA Cc1cncn1CC(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952848114 BDIQYHYTNJGRGI-QWHCGFSZSA-N 289.339 1.031 0 50 CDAA Cc1nnc(C[C@@H]2CC[C@H](Nc3cnccn3)C2)o1 952890255 QVNYQOUDMBTNPY-MNOVXSKESA-N 259.313 1.991 0 50 CDAA COC(=O)/C=C/CNC(=O)CCc1ccc(O)c(Cl)c1 1875273238 IMCBKKCNENTDSG-NSCUHMNNSA-N 297.738 1.824 0 50 CDAA Oc1cc(N[C@H]2CCc3nn[nH]c3C2)c2cccnc2n1 1875295395 WPAZZUHWONBGKR-QMMMGPOBSA-N 282.307 1.423 0 50 CDAA c1cnc(-n2cncn2)c(NCc2nc3c([nH]2)COCC3)c1 1875280039 QUCSXLQENFSOFJ-UHFFFAOYSA-N 297.322 1.070 0 50 CDAA C=CC(=O)N[C@@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875369962 SWHDVASSMBGDDT-POYBYMJQSA-N 259.231 1.673 0 50 CDAA CCC(CC)[C@H]1C[C@H](NC(=O)NN2CCCC2=O)CCO1 888097688 YQLUCMWYVAKZEA-CHWSQXEVSA-N 297.399 1.807 0 50 CDAA COCc1nc(O)cc(N(C)C2CCC(OC)CC2)n1 892552019 OZIJYLYHNYAYTQ-UHFFFAOYSA-N 281.356 1.722 0 50 CDAA CC(C)Cc1cc(N[C@@H]2Cc3cncn3C2)ncn1 894997055 MKFRXPKAGFGCAB-GFCCVEGCSA-N 257.341 1.908 0 50 CDAA Cc1cccc(CONC(=O)Cn2nccc2C)n1 898929928 BJMKQPYNUPTNMR-UHFFFAOYSA-N 260.297 1.143 0 50 CDAA NC[C@@H]1CCCN1C(=O)COc1ccccc1Cl 237949027 YJPPFHLCHGZECH-JTQLQIEISA-N 268.744 1.669 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2nccs2)C1 237942304 OXRXGJYDBGWIHJ-GMTAPVOTSA-N 281.381 1.170 0 50 CDAA CCn1cncc1CN1CCC(NC(C)=O)CC1 252490635 KYESQVZHCLRQAB-UHFFFAOYSA-N 250.346 1.004 0 50 CDAA CO[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 154282094 IXPHFHJAAPGCIM-GJZGRUSLSA-N 274.364 1.338 0 50 CDAA C1=C[C@H]2C[C@H]1C[C@H]2CNCCOC[C@H]1CCCO1 156142123 OYXSPBCNEATJKV-ZQDZILKHSA-N 251.370 1.984 0 50 CDAA C[C@H]1C[C@H](C(=O)O)CN(c2ccnc(N(C)C)n2)C1 263138937 GMWBAXUYATZHBW-UWVGGRQHSA-N 264.329 1.090 0 50 CDAA CC(C)c1nc(=NC[C@@H]2CCc3nccn3C2)s[nH]1 328619320 FSODBOSDTCINMB-JTQLQIEISA-N 277.397 1.954 0 50 CDAA O=C(c1cccnn1)N1CCC[C@H](C2CCNCC2)C1 638400080 GSQPZJARUKGUHS-ZDUSSCGKSA-N 274.368 1.328 0 50 CDAA CN(C)CC1(O)CCN(C(=O)[C@H]2CC23CCCC3)CC1 584886644 BLDKWYAQNXTVAH-CYBMUJFWSA-N 280.412 1.482 0 50 CDAA O=C1C[C@@H](Cc2ccccc2)C(=O)N1C[C@@H]1CCCO1 33701 KJSKKARCFFBHCQ-KGLIPLIRSA-N 273.332 1.783 0 50 CDAA c1cc(-c2ccc(-c3n[nH]c(N4CCOCC4)n3)cc2)n[nH]1 2100539375 FSKALBUOEALHAS-UHFFFAOYSA-N 296.334 1.698 0 50 CDAA Cc1cnc(Nc2cccc3nn(C)nc23)nc1N(C)C 2100548208 XCRSPCNUQCVWLU-UHFFFAOYSA-N 283.339 1.876 0 50 CDAA CCN1CCN=C1NCc1ccc2c(c1)CCOC2 2325771375 CSRZPLFBTKMFAP-UHFFFAOYSA-N 259.353 1.540 0 50 CDAA O=C(Cn1ccc(C2CC2)n1)N1CC(c2cc(O)no2)C1 2325811221 DMOLCHUWJFVWAG-UHFFFAOYSA-N 288.307 1.080 0 50 CDAA CN(CCc1nn[nH]n1)Cc1c(Cl)cncc1Cl 2325811638 JIUBZEDHJCNGLQ-UHFFFAOYSA-N 287.154 1.576 0 50 CDAA C[C@H](CS(=O)(=O)O)NC(=O)OCc1ccccc1 218572778 HGBVBZCJPQDSHJ-SECBINFHSA-N 273.310 1.189 0 50 CDAA Cn1nc(O)c2cc(I)ccc21 149714751 FLPWQKBQGPPFME-UHFFFAOYSA-N 274.061 1.884 0 50 CDAA Cc1nc2n(CC(=O)N3CCCC3)c3ccccc3n2n1 90535 LLBVSSMZPYPNIK-UHFFFAOYSA-N 283.335 1.615 0 50 CDAA CCCOc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 2308917 OVKYLYNVEMJRHR-UHFFFAOYSA-N 289.291 1.104 0 50 CDAA NCCS[C@H]1CC(=O)N(c2ccccc2)C1=O 2816273 BPLRIIWVDGMZTA-JTQLQIEISA-N 250.323 1.010 0 50 CDAA Cc1ccc(C(=O)Nc2ccc(NC(=O)C(=O)O)cc2)o1 2864898 UZTSWDYIOKCKQX-UHFFFAOYSA-N 288.259 1.863 0 50 CDAA CCOP(=O)(OCC)C(=O)N1CCOCC1 3161507 HHXNUJYTXOKNNG-UHFFFAOYSA-N 251.219 1.705 0 50 CDAA O=C(COc1ccc2c(c1)OCO2)NCc1ccccn1 4414126 ZXRCXDWXVLBILX-UHFFFAOYSA-N 286.287 1.506 0 50 CDAA Cc1ccc(C(=O)NCC(C)C)cc1NS(C)(=O)=O 10314875 OFJNAHDDSXGFTD-UHFFFAOYSA-N 284.381 1.752 0 50 CDAA C[C@H]1CN(C(=O)CCNC(=O)c2ccccc2)C[C@H](C)O1 10463320 AHGWLBYAPYUMQU-STQMWFEESA-N 290.363 1.442 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)C1 225483783 JFPFSSFXVPUSOG-SVNGYHJRSA-N 263.337 1.602 0 50 CDAA CO[C@H]1CCCN(C(=O)[C@@H]2CCCC23OCCO3)C1 225809236 AKBKHNWJOGQWNP-RYUDHWBXSA-N 269.341 1.167 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1cn(-c2ccccc2)cn1 226754194 UMOBTSNTIDELAR-ZDUSSCGKSA-N 271.320 1.781 0 50 CDAA COCCN1CCN(Cc2ccc3[nH]cnc3c2)CC1 20272753 NCYAEDAHHBCOIP-UHFFFAOYSA-N 274.368 1.327 0 50 CDAA CCc1nc(C)sc1CN1C[C@@H](C(=O)O)CC1=O 65394395 MFXAJXJPRIDFTQ-QMMMGPOBSA-N 268.338 1.447 0 50 CDAA C[C@H](O)CCN(C)C(=O)c1ccc2nc(N)sc2c1 135546708 NVKQWVFEWXPBMS-QMMMGPOBSA-N 279.365 1.721 0 50 CDAA Cc1ccnn1CCCN1CCN(c2ccccn2)CC1 23478454 MDYSYYFTVONZGC-UHFFFAOYSA-N 285.395 1.799 0 50 CDAA Cc1cnn(CCC(=O)N2CCC(CC(=O)O)CC2)c1 362401670 JACXJWNELCFTSR-UHFFFAOYSA-N 279.340 1.295 0 50 CDAA O=C(NC1(c2nnc[nH]2)CCC1)c1cncc(F)c1 280765162 ILXYLCAOXIFEHM-UHFFFAOYSA-N 261.260 1.148 0 50 CDAA C[C@H](Cn1cncn1)NCc1nnc(-c2ccccc2)o1 65462359 OKSYAMMXIOGPKO-LLVKDONJSA-N 284.323 1.506 0 50 CDAA CSC[C@H](C)CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C 252511742 KHKSNNYKWADIFF-JHJVBQTASA-N 287.473 1.967 0 50 CDAA COC(=O)NCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 252673678 RJOXHZUXPBZKCO-GRYCIOLGSA-N 268.357 1.818 0 50 CDAA CCCN(C(=O)CN(C)C(C)=O)[C@@H](CC)C(=O)OCC 253429180 BWZXTZOUHUSHNX-LBPRGKRZSA-N 286.372 1.045 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@@H](O)CC1 328593363 FCYUKPPLCLNODK-VXGBXAGGSA-N 298.383 1.369 0 50 CDAA CC(C)(C)OC(=O)CNS(=O)(=O)c1ccccc1 35287575 NOJZKCAVAQZLQI-UHFFFAOYSA-N 271.338 1.307 0 50 CDAA c1cn2cnnc2c(=NCc2ccn(C3CCCC3)n2)[nH]1 330343033 BMVYGLRVUKDLNN-UHFFFAOYSA-N 283.339 1.470 0 50 CDAA O=C1CC[C@H](CCNC2CCN(c3ccccn3)CC2)N1 367695841 CJVMYDVSBGDNHV-CQSZACIVSA-N 288.395 1.309 0 50 CDAA COCCCn1nccc1CN1CCC[C@@](F)(CO)C1 368034520 BDWDCSKVCTXFPP-AWEZNQCLSA-N 285.363 1.216 0 50 CDAA C[C@H](Cn1ncc2ccccc21)C(=O)N1CCC[C@H]1CO 331655328 MZXPEVDGXLBKBM-OCCSQVGLSA-N 287.363 1.656 0 50 CDAA CC(C)(NC(=O)[C@H]1CC1(C)C)c1nnc(N)s1 216096080 RAEWYELAITXEHM-ZCFIWIBFSA-N 254.359 1.518 0 50 CDAA CN(C)c1ncncc1NC(=O)CC[C@@H]1CCCO1 126292541 CVCOSUZTVVQJEG-JTQLQIEISA-N 264.329 1.440 0 50 CDAA CN(CC(F)(F)F)C(=O)[C@@H]1CC12CCNCC2 70253664 AMQGTBVXEXJLJQ-QMMMGPOBSA-N 250.264 1.397 0 50 CDAA C[C@H]1CCCN(C(=O)CCCOc2cccnc2)[C@H]1CN 156931715 OIWBLSYUWSMUHW-ZFWWWQNUSA-N 291.395 1.826 0 50 CDAA Cc1nnc(N2CCCN(Cc3nc(C)c(C)o3)CC2)o1 376219557 NVCCIPQODJAQOW-UHFFFAOYSA-N 291.355 1.695 0 50 CDAA Cc1cc(C)c2nc(C)cc(C(=O)N3C[C@H](O)CO3)c2c1 77288152 ZMSWVQDEFBLEAY-LBPRGKRZSA-N 286.331 1.908 0 50 CDAA CNCC(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 72468147 SGDFCEGSIAIUFL-AWEZNQCLSA-N 295.814 1.640 0 50 CDAA CCCOC[C@@H]1CCN(Cc2cc3n(n2)CCCNC3)C1 72146254 GACIHZMKKKFYTL-CQSZACIVSA-N 292.427 1.625 0 50 CDAA CC[C@@H](NC(=O)[C@H](C)CNC)c1ccc2c(c1)OCCO2 236940478 XQLXXMPERXBBHJ-DGCLKSJQSA-N 292.379 1.881 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)[C@@H](C)N1CCc2ccccc2C1 262731594 BYTABPFXLYHGOM-NEPJUHHUSA-N 290.363 1.365 0 50 CDAA CN1C[C@]2(CCCN(CCc3ccccn3)CC2)OC1=O 72145599 ZSJDNUCMRIUBBD-MRXNPFEDSA-N 289.379 1.931 0 50 CDAA CC[C@@H]1c2cccn2CCN1C(=O)N1CCN(C)CC1 72172710 ITTBOCLEDRLXFN-CYBMUJFWSA-N 276.384 1.622 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H]1CN 237651836 CNQDNROHWGWBMM-SWLSCSKDSA-N 299.378 1.467 0 50 CDAA CSCC(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 220265638 OLOJJHRPCOLZRX-FRRDWIJNSA-N 280.393 1.243 0 50 CDAA COC(=O)COc1ccc(Br)cc1C(N)=O 87489415 IXHNFRUVWLUXCJ-UHFFFAOYSA-N 288.097 1.100 0 50 CDAA CC1(C)COCCN1CCNC(=O)Nc1ccsc1 177695660 ROZNQWJSWDJIMH-UHFFFAOYSA-N 283.397 1.980 0 50 CDAA Cc1noc(C)c1CNC(=O)N1CCC[C@@H](CC(N)=O)C1 175384177 SZLFVLNBXUBOML-NSHDSACASA-N 294.355 1.088 0 50 CDAA CC[C@H](NC(=O)CCCN1CCOCC1)c1nccs1 220397756 LEDUHIQIUGROEB-LBPRGKRZSA-N 297.424 1.823 0 50 CDAA CC[C@@H](NS(=O)(=O)c1cn[nH]c1)c1nccs1 80323309 WGICQYFPSNXGBY-MRVPVSSYSA-N 272.355 1.296 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCN1Cc1cccc(C(=O)O)c1 263380904 BQLLEDMOAIWTTE-CQSZACIVSA-N 290.363 1.731 0 50 CDAA CC(C)c1ncc(C(=O)N2CCOC[C@H]2CC(=O)O)s1 263325590 SPHNKQILAIYUHR-SECBINFHSA-N 298.364 1.582 0 50 CDAA CN(Cc1cccc2cnccc12)C(=O)CCn1cncn1 221211428 SISBOPNXJOJFTL-UHFFFAOYSA-N 295.346 1.875 0 50 CDAA CC(C)C[C@@H]1CCCN(C(=O)N[C@@H](C)C(=O)N(C)C)C1 177160528 IUQPPJLGPSJZBT-STQMWFEESA-N 283.416 1.931 0 50 CDAA Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(CO)O1 226628181 WOVSZDGHGOYTMQ-IXKJSCDLSA-N 299.326 1.190 0 50 CDAA COc1cc(C)cc(OC)c1-c1nc(C(=O)N(C)C)n[nH]1 426584090 SHAUDDCYVUKGHD-UHFFFAOYSA-N 290.323 1.499 0 50 CDAA NCCCC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 178085927 CHKCZTKGIWQVIF-DZGCQCFKSA-N 262.353 1.762 0 50 CDAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@H](CN)C1 178530023 IBCFTXKFLAADGC-VHSXEESVSA-N 284.306 1.539 0 50 CDAA NC[C@H]1CCN(C(=O)COCc2ccccc2Cl)C1 178518286 YCVCHFQSXGLXNH-LLVKDONJSA-N 282.771 1.664 0 50 CDAA O=C(CC1CCOCC1)N[C@@H](C(=O)O)c1ccccc1 238009048 WSZFOJVXYRAKIK-CQSZACIVSA-N 277.320 1.745 0 50 CDAA CC(C)Cc1cc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)on1 91574322 XFTLSKMUASTWSW-LLVKDONJSA-N 288.351 1.884 0 50 CDAA Cc1ccc([C@@H](C(=O)NCCCCCN)N(C)C)cc1 91270619 RDIOWRWGJYQFRB-HNNXBMFYSA-N 277.412 1.843 0 50 CDAA Cn1cc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)c2ccccc21 96149563 FYHXPJMUYAAENZ-GOEBONIOSA-N 288.347 1.136 0 50 CDAA N[C@H]1CCC[C@H](C(=O)NCc2ccccc2CO)C1 237916119 QAZQUNZDHXXPQG-FZMZJTMJSA-N 262.353 1.313 0 50 CDAA CCc1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1CC 179301073 DPBYORQRCPZIHF-CYBMUJFWSA-N 283.393 1.879 0 50 CDAA Cc1nn(C)c2nc(N[C@H](C)c3ncnn3C)sc12 96139120 SGJIGKGKYJUUJT-SSDOTTSWSA-N 277.357 1.640 0 50 CDAA CCn1ccc(C(=O)NC[C@H]2COc3ccccc3C2)n1 91350559 LBWMKRICPZBHQD-LBPRGKRZSA-N 285.347 1.884 0 50 CDAA O=S(=O)(NC[C@@H]1CCOc2ccccc2C1)C1CC1 97088205 QZJHCGNBKLRZPU-LLVKDONJSA-N 281.377 1.710 0 50 CDAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCOC1)c1cccs1 299752090 SSDAOAZDNDZERS-UWVGGRQHSA-N 283.349 1.807 0 50 CDAA CCCOCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 299738366 IQDNEVASCZOIDU-TUAOUCFPSA-N 269.341 1.657 0 50 CDAA COc1ccc(CNC(=O)C[C@H]2CCOC2)cc1C(=O)O 299752560 UOYCQNVNLOUXRH-LLVKDONJSA-N 293.319 1.436 0 50 CDAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@@H]([C@H]5[C@@H]2[C@]5(C)[C@]34C)[C@H]1C(=O)OC 253595803 JAJDGRWTMITQCP-BFXCORFDSA-N 276.332 1.343 0 50 CDAA CC(=O)c1cc(CN2CCC[C@@]2(C)C(=O)O)n(C)c1 534584138 HFUKNMHPMZUYHN-AWEZNQCLSA-N 264.325 1.667 0 50 CDAA CC(C)c1cc(CNC(=O)c2ccc(=O)n(C)c2)no1 534585871 SAGDJKRQFOYWFD-UHFFFAOYSA-N 275.308 1.427 0 50 CDAA Cn1cccc1C(=O)C(=O)NC(C)(C)CN1CCCC1 457067220 HBEPALRPASESGH-UHFFFAOYSA-N 277.368 1.198 0 50 CDAA CC(C)(C)c1noc(CNC(=O)COC[C@H]2CCCO2)n1 299788937 UQJNUUNEVUCRDF-SNVBAGLBSA-N 297.355 1.179 0 50 CDAA O=C1OC[C@H]2CN(c3ncnc4sccc34)CCN12 493424594 HJFWCUKZCHJUHW-MRVPVSSYSA-N 276.321 1.332 0 50 CDAA Cc1c(CNC2CSCCSC2)cnn1C 584892008 MTNHKWMGHDMERU-UHFFFAOYSA-N 257.428 1.667 0 50 CDAA COc1nc(NCC2CCN(C(C)=O)CC2)ncc1F 670465609 HXNDQEUEWZTLNY-UHFFFAOYSA-N 282.319 1.295 0 50 CDAA CC(=O)NCCc1nc(Cc2cccs2)n[nH]1 670472289 ODFRVCMYPOOEON-UHFFFAOYSA-N 250.327 1.136 0 50 CDAA Cc1cncnc1N1CCC(c2ncccn2)CC1 1339827568 AZFGFFSMQWZRLJ-UHFFFAOYSA-N 255.325 1.959 0 50 CDAA CCOC1(CNC(=O)N[C@@H]2CCn3ccnc32)CCCC1 1434807500 NEFUNQPGOYRWDJ-GFCCVEGCSA-N 292.383 1.976 0 50 CDAA Cn1cnnc1CNC(=O)c1cccc(C(F)(F)F)n1 1362041206 AJNAERRFZHRCEG-UHFFFAOYSA-N 285.229 1.159 0 50 CDAA COCc1ccc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)cc1 1553430054 YQAOEVJJAUXWKJ-HOCLYGCPSA-N 289.379 1.466 0 50 CDAA C[C@H](C(N)=O)N1CCC(CNC(=O)C2CCCCC2)CC1 952967966 JBICGWRUZFBDEK-GFCCVEGCSA-N 295.427 1.269 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2c[nH]c(C)cc2=O)n1 952976900 PWTDYMKKUSYRCZ-LLVKDONJSA-N 288.351 1.315 0 50 CDAA C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(=O)O 268908503 QIEKXIAAGCQSNH-DVVUODLYSA-N 291.303 1.151 0 50 CDAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1cnco1 1565528073 RHCPITNUXXGYGA-QWRGUYRKSA-N 289.291 1.036 0 50 CDAA COCc1ccc(C(=O)N2CC[C@@](OC)(C(=O)O)C2)cc1 630249440 MSAYZLCDFQDTOK-HNNXBMFYSA-N 293.319 1.149 0 50 CDAA Cn1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)c1 275364494 BKNZYELDMPOZPI-LSDHHAIUSA-N 274.368 1.769 0 50 CDAA Cc1cncc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)c1 276850061 ZKVMVDBWFOZQJY-AWEZNQCLSA-N 299.378 1.252 0 50 CDAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)NCC(=O)O 170072712 LIJWLRCEAKRXRH-PWSUYJOCSA-N 294.326 1.204 0 50 CDAA Cc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2C)c(=O)n1C 278282744 BCXPTSMZVUILBH-WCQYABFASA-N 278.352 1.125 0 50 CDAA Cc1ccccc1CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2 631970946 BYTCSQQNSSEPOG-OKILXGFUSA-N 280.393 1.261 0 50 CDAA O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc[nH]n1 187808674 KMTIPFNDRSVCTB-KCJUWKMLSA-N 291.273 1.623 0 50 CDAA Cc1nnc(COC2CN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)o1 644215747 OXWNVRXOTFLFOH-NEPJUHHUSA-N 277.324 1.152 0 50 CDAA Cc1cnc(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)cn1 653329666 YHWVJGFPKMCCDI-STQMWFEESA-N 297.314 1.828 0 50 CDAA CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CNCCO1 195543618 QLBCFSIRLMEIKJ-HOTGVXAUSA-N 290.407 1.893 0 50 CDAA C[C@H](c1ccccn1)c1nc(-c2cn(C)nn2)no1 571524298 VABPMGPHUJAYAF-MRVPVSSYSA-N 256.269 1.412 0 50 CDAA O=C(c1ncccc1O)N1CCC[C@H](C2(O)CC2)C1 1772814170 MOMAKSFDYDYPDT-JTQLQIEISA-N 262.309 1.164 0 50 CDAA CC[C@@H](C)[C@H](C(=O)Nc1ncc(C)s1)n1cnnn1 1615155127 MWIRRGJHJRQQDI-VXNVDRBHSA-N 280.357 1.664 0 50 CDAA O=C(N[C@@H]1Cc2cccnc2NC1=O)c1ccccc1 1633562376 PBKPRYCBDUQOBX-GFCCVEGCSA-N 267.288 1.375 0 50 CDAA C[C@@H](NC(=O)CN1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 106672138 BLXKGUAYMPWNIV-ZOBORPQBSA-N 266.385 1.260 0 50 CDAA Cc1cc(C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2O)n[nH]1 1529089593 MWAGGLLSFBYYFK-QAPCUYQASA-N 297.402 1.721 0 50 CDAA Cc1cc(C(=O)O)nc(N(C)CCc2scnc2C)n1 1529185900 SFCQXNORABZJLF-UHFFFAOYSA-N 292.364 1.927 0 50 CDAA CCOCC(=O)N1CCC[C@]2(CCc3cnc(C)nc32)C1 1704299135 MWBKZWYFBCYLNE-INIZCTEOSA-N 289.379 1.628 0 50 CDAA Cc1cc(C(N)=O)c(N2CCC[C@H](c3cc[nH]n3)C2)nc1C 1704340215 QCXXCUCMYNIRTC-LBPRGKRZSA-N 299.378 1.904 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cn1)C2 1704305659 MRCAOVRBOTYACV-PWSUYJOCSA-N 295.770 1.138 0 50 CDAA COc1ccc2oc(CN3C(=O)C[C@H]4NCC[C@H]43)nc2c1 1800411994 SRNSJZPEXFTVIQ-ZYHUDNBSSA-N 287.319 1.299 0 50 CDAA CON(C)C(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 16697240 USINQMZZDNKSQW-SECBINFHSA-N 288.344 1.378 0 50 CDAA in-vitro Cc1nc(CC(=O)Nc2nnc(C)s2)cs1 5183537 YLFSXALOUIHNJU-UHFFFAOYSA-N 254.340 1.793 0 50 CDAA CCc1n[nH]c(SCC(=O)NCCc2ccccc2)n1 18140327 HCUAHFPDPFIDHE-UHFFFAOYSA-N 290.392 1.818 0 50 CDAA CN1C[C@@H](n2ccnc2-c2cccc(O)c2)CC1=O 1857732574 WLYJUPRZDAQHFF-NSHDSACASA-N 257.293 1.659 0 50 CDAA O=C1CCC[C@H](CC(=O)N2CCc3c(F)cc(F)cc32)N1 341271052 NAMMUEYHELFSEY-SNVBAGLBSA-N 294.301 1.913 0 50 CDAA CC(C)Cc1nc(=NCCC(=O)Nc2ncc[nH]2)s[nH]1 408523720 MROCAXBDIMJJBJ-UHFFFAOYSA-N 294.384 1.322 0 50 CDAA CC[C@H](Nc1cnn(-c2ccccc2F)c1C)C(N)=O 126764914 YZEANEAIANVJSC-NSHDSACASA-N 276.315 1.996 0 50 CDAA Cc1cc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)no1 333610294 XXTJXEVVNLFFPV-XRRVDJEJSA-N 272.304 1.680 0 50 CDAA C[C@H]1CC[C@@H](CCC(=O)N(CC(=O)O)C2CC2)O1 237554111 UYFPKELSPQLZEG-ONGXEEELSA-N 255.314 1.410 0 50 CDAA CC(C)(C)[C@@H]1CCN(Cc2nnnn2C2CC2)C[C@H]1O 242339373 ZHHKZSXGXJNZNI-VXGBXAGGSA-N 279.388 1.237 0 50 CDAA C[C@@H](Cc1cccc(F)c1)C(=O)NCc1nccc(N)n1 131806527 LKJJPSPTTLNSIV-JTQLQIEISA-N 288.326 1.693 0 50 CDAA Nc1cc(C(=O)O)ccc1I 19721735 MLHDNXRHJMQUOY-UHFFFAOYSA-N 263.034 1.572 0 50 CDAA in-vitro Nc1ncnc(N2CCC[C@@H](c3nc[nH]n3)C2)c1Cl 365056455 QASOORFITMJSLS-SSDOTTSWSA-N 279.735 1.214 0 50 CDAA CO[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(Cl)cc1 262421842 QHDRPTGUTQXKJP-GRYCIOLGSA-N 297.738 1.864 0 50 CDAA C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCCc2ccccn2)C1 585085862 HCOMLFWZNRQLIJ-RISCZKNCSA-N 284.363 1.830 0 50 CDAA O=C(O)C[C@H]1CCCN1C(=O)Cc1ccc2c(c1)CCO2 263008107 RWBBTNVSZZEYNF-CYBMUJFWSA-N 289.331 1.630 0 50 CDAA COC(=O)[C@H]1CC[C@H](C(=O)OC)N1Cc1ccccc1 34161200 VOUOTBJQQLQSCY-CHWSQXEVSA-N 277.320 1.366 0 50 CDAA in-vitro Cc1cccc(C2(O)CCN(C(=O)CCO)CC2)c1C 902877781 DQYPHUJBMMQEOT-UHFFFAOYSA-N 277.364 1.496 0 50 CDAA O=C(O)c1cnc(NC[C@H]2OCCc3ccccc32)nc1 910356772 IFHAKMYDECMSTA-CYBMUJFWSA-N 285.303 1.901 0 50 CDAA C[C@@](O)(CNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)C(=O)O 911474223 XDZIVNZYNSBARE-AYKBIYCLSA-N 299.342 1.247 0 50 CDAA NC(=O)CCc1cccc(-c2ccccc2C(N)=O)c1 1239764182 WLDLMPYPMCWYQO-UHFFFAOYSA-N 268.316 1.870 0 50 CDAA COc1ccc(-c2noc([C@H]3CCCNC3=O)n2)cc1 1248275880 LZUMIOLYKKFTLT-NSHDSACASA-N 273.292 1.739 0 50 CDAA CC(C)(C)OC(=O)NC[C@H](C(=O)O)[C@@H]1CCOC1 950756208 XSAYCMQVRXBLTE-BDAKNGLRSA-N 259.302 1.248 0 50 CDAA CC1(S(=O)(=O)NCc2nc3cnccc3s2)CC1 952884164 UVFWQRHQPFVHMD-UHFFFAOYSA-N 283.378 1.663 0 50 CDAA CC(C)C[C@@H]1CC[C@@H](NC(=O)CCCc2nn[nH]n2)C1 1875297369 NEVGUBWRKPKPCB-NWDGAFQWSA-N 279.388 1.853 0 50 CDAA O=C1N[C@H]2c3cc(F)ccc3O[C@@]3(CCCO[C@H]23)N1 1875293974 JJMODGGYJGWLOB-DMDPSCGWSA-N 264.256 1.447 0 50 CDAA Cc1ccnc(CNC(=O)[C@@H](CO)c2ccccc2)c1F 1875296003 FSCHNOVOCQURAT-ZDUSSCGKSA-N 288.322 1.921 0 50 CDAA C=CC(=O)N[C@@H](C)[C@H](c1ccccc1)N1CCOCC1 1875376252 PZEXAGTXHVJZMK-XJKSGUPXSA-N 274.364 1.751 0 50 CDAA N[C@@H]1C[C@H](C(=O)O)CN(CC2CCC3(CC2)CC3)C1 1875303026 RPXOIODERLNHEA-QWHCGFSZSA-N 266.385 1.691 0 50 CDAA Cn1cnc(-c2ccc(OC[C@@H]3C[N@]3CC3CC3)cc2)n1 1875384066 CBNPIELIFWBKQQ-XOBRGWDASA-N 284.363 1.955 0 50 CDAA CO[C@@H]1C[C@@H]2C[C@H](C(=O)N[C@@H]3CS[C@H](C(=O)O)C3)C[C@@H]21 1875300884 VAJHCWILLOYIEX-KUYXLPFXSA-N 299.392 1.122 0 50 CDAA CCOC(CN1CC[C@H]2OCCC[C@H]2C1)OCC 248613202 IZBKIDGVBJQLPA-QWHCGFSZSA-N 257.374 1.886 0 50 CDAA CCNC(=O)CNC(=O)/C=C/CCCCCCCO 1775999756 WAFVYANZGUIJTI-CSKARUKUSA-N 270.373 1.128 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)Cc1noc2ccccc12 129266316 JZUDIZMCCZSVLD-MNOVXSKESA-N 273.336 1.709 0 50 CDAA NCCc1ccc(C(=O)NCCC[C@H]2CCOC2)cc1 401986896 DQLUJDZUHWLOSS-AWEZNQCLSA-N 276.380 1.734 0 50 CDAA Cc1ccc(C(=O)N(C)Cc2c[nH]nc2C)c(O)n1 636067204 XWOLCGLZEJEMPE-UHFFFAOYSA-N 260.297 1.399 0 50 CDAA COCC1(CNC(=O)c2cc(O)ccc2N)CCC1 388842057 YEFXNAUKRNEQPT-UHFFFAOYSA-N 264.325 1.521 0 50 CDAA CC(C)c1nccn1CCNc1nccn(C)c1=O 895987194 ALMLYWJZQBQQLR-UHFFFAOYSA-N 261.329 1.212 0 50 CDAA O=C(c1onc2ncccc12)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100556459 AHTYKSFQJVUQTG-RTCCRHLQSA-N 287.319 1.598 0 50 CDAA CN(C(=O)OC(C)(C)C)[C@H]1CCNCC1(F)F 238306604 YXSZEBBBLBXKAN-QMMMGPOBSA-N 250.289 1.851 0 50 CDAA C/C=C/CNS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 385045754 RWUTWANTIZKLIJ-SNAWJCMRSA-N 283.349 1.856 0 50 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279.384 1.160 0 50 CDAA Cc1nccn1CC1(CNC(=O)C[C@H]2CCCN2C)CC1 97602245 XFWONAZNZHZHTJ-CQSZACIVSA-N 290.411 1.572 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)c1cccc(-n2cccn2)c1 237626811 YAPOEPIGQHDDSP-GXTWGEPZSA-N 284.363 1.824 0 50 CDAA Cc1ccc(C)c2c(=O)cc(CN3CCNC(=O)[C@H]3C)[nH]c12 91907002 BSSMIXGHHNDTDH-GFCCVEGCSA-N 299.374 1.465 0 50 CDAA CC(C)c1ocnc1C(=O)NCc1cc2n(n1)CCNC2 97601037 QTQGHSKMZHQWNK-UHFFFAOYSA-N 289.339 1.028 0 50 CDAA CC1(C)OC(=O)C2(C(=O)O1)[C@H]1[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@@H]2[C@H]2[C@H]5[C@@H]4[C@H]21 245284670 TVUPDLNBECUJAB-JHGIASSQSA-N 286.327 1.443 0 50 CDAA O=C1CC[C@@H]2CN(C[C@@H]3CCOC3)CC[C@H]2N1C1CC1 343555443 XLWKOTKFGILDGQ-GZBFAFLISA-N 278.396 1.498 0 50 CDAA COC(=O)[C@H]1C(=O)N[C@@]2(C)C[C@H]1c1cc(Cl)ccc1O2 242425574 BPGGFBIZPWGSCZ-DRCTWCGVSA-N 295.722 1.841 0 50 CDAA CC(C)(C)OC(=O)N=c1ccn(C(C)(C)C(=O)O)[nH]1 521398715 VTIKXWMYUQDFHB-UHFFFAOYSA-N 269.301 1.472 0 50 CDAA O=C(C[C@@H]1CCNC1)NCCCn1cc(Cl)cn1 299792544 FRMDYHFKGMBQQW-JTQLQIEISA-N 270.764 1.042 0 50 CDAA O=C(NC[C@@H]1CCOC1)c1ccc(-n2cnnc2)cc1 263732110 YQUYOEDGGVEORQ-NSHDSACASA-N 272.308 1.034 0 50 CDAA CN1CCCN(c2ncc(Cl)cn2)CC12CCNCC2 534670085 KMSHXLYLRMSLOG-UHFFFAOYSA-N 295.818 1.394 0 50 CDAA CC(C)(C(=O)N1CCC2(CCCC2)C1)N1CCOCC1 374866179 YSRCPAUJYOYBPN-UHFFFAOYSA-N 280.412 1.890 0 50 CDAA COCCN1C[C@@H](CN2CC(c3nccs3)C2)CC1=O 299788446 SOOJOLOUGAZCLX-LLVKDONJSA-N 295.408 1.037 0 50 CDAA CCN1Cc2ccccc2C[C@H]1C(=O)N1CC=CC1 823118877 SSYLHKQKPKOYFX-HNNXBMFYSA-N 256.349 1.832 0 50 CDAA CC(C)CS(=O)(=O)NCc1cc(-c2cccnc2)no1 821387106 BSXUNNHXAZBYGH-UHFFFAOYSA-N 295.364 1.812 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)NS(=O)(=O)N1CCCC1 825290522 BOBXKZHIHHDCPB-JTQLQIEISA-N 286.401 1.028 0 50 CDAA Cc1c[nH]c(C(=O)N[C@H](C)c2nncn2C(C)C)n1 584894980 XTEATMYOHNVXEG-SECBINFHSA-N 262.317 1.382 0 50 CDAA Cc1cc(C[C@H](C)n2cnc3nccnc3c2=O)n[nH]1 584892604 VICWBQNMWMTPSY-VIFPVBQESA-N 270.296 1.022 0 50 CDAA Cn1c(CN2CCOC(F)(F)C2)cnc1Cl 585136201 VSYCFJOHRNKKOQ-UHFFFAOYSA-N 251.664 1.499 0 50 CDAA Cc1ncn(CCN[C@H](C)CN(C)C(C)C)c1C 670457314 ZGTHVUQOZGMSGU-GFCCVEGCSA-N 252.406 1.818 0 50 CDAA CCCCS(=O)(=O)N(C)Cc1noc(C2CCC2)n1 670461417 RVVATHGBUORKIK-UHFFFAOYSA-N 287.385 1.899 0 50 CDAA COc1cc(OC)nc(N2CCO[C@H](C3CC3)C2)n1 672253731 DSFNXXIATDZVRD-JTQLQIEISA-N 265.313 1.109 0 50 CDAA NS(=O)(=O)N1CCC[C@@H](COc2ccccc2F)C1 670437335 HACBLHHFOJLJSG-SNVBAGLBSA-N 288.344 1.120 0 50 CDAA CCN1CC[C@H](CN(C)c2ncc(Cl)cn2)C1 670444329 MMAKTXRWQCIKEB-SNVBAGLBSA-N 254.765 1.908 0 50 CDAA Cc1[nH]nc2c1CN([C@H](C)C(=O)Nc1ccccn1)CC2 670447553 PXMJBMPZNZRRLZ-LLVKDONJSA-N 285.351 1.498 0 50 CDAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)C(F)=C1CCC1 685941729 HLHYRLFABOKPAB-WDEREUQCSA-N 281.287 1.080 0 50 CDAA O=C(O)c1cccnc1N1CCO[C@H](CCF)C1 629769269 FYBJWUHCTPYBCR-SECBINFHSA-N 254.261 1.345 0 50 CDAA CNC[C@H]1CCCN(CCCn2ccnc2C)C1 244678648 IHNGQYRMKWWXBO-CQSZACIVSA-N 250.390 1.513 0 50 CDAA CCCCOc1ccccc1[C@H]1NC(=O)[C@@H]2COCCN21 163406646 QLJZNYYUFSQONX-ZFWWWQNUSA-N 290.363 1.695 0 50 CDAA c1ccc2c(c1)CO[C@]21CCN(c2ncnc3nc[nH]c23)C1 302266013 QTVIWOGDXISXKS-INIZCTEOSA-N 293.330 1.989 0 50 CDAA O=C(NS(=O)(=O)C1COC1)c1cccc2c1CCCC2 408497616 RUDREJMQRKFDST-UHFFFAOYSA-N 295.360 1.024 0 50 CDAA CC(C)n1ccc(C(=O)NCc2cnc3nccn3c2)n1 408517204 CNMBCSRNKCPTDH-UHFFFAOYSA-N 284.323 1.437 0 50 CDAA O[C@H]1C[C@@H](c2cc(F)ccc2F)N(CCn2ccnc2)C1 270867248 LCMZGFZNJPZEOC-WFASDCNBSA-N 293.317 1.969 0 50 CDAA C[C@]1(NS(=O)(=O)c2cccs2)CCO[C@@H]1C1CC1 273111221 QDCGOLLONMZKSJ-NEPJUHHUSA-N 287.406 1.984 0 50 CDAA C[C@@]1(CCCO)CCCN1c1nccn2cnnc12 273211800 GQNFATDXZWLZLU-ZDUSSCGKSA-N 261.329 1.256 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2CO)c2n[nH]cc2c1 275127385 NCOVWRDKFHFDBC-LLVKDONJSA-N 259.309 1.468 0 50 CDAA CCNc1nc(C(=O)NCC2(C(=O)OC)CC2)cs1 275345292 YANMRAISHHFWHP-UHFFFAOYSA-N 283.353 1.258 0 50 CDAA C1=CC[C@H](CN2CC[C@@H](CN3CCOCC3)C2)CC1 245745822 MSTSDPOUJXITSU-HOTGVXAUSA-N 264.413 1.997 0 50 CDAA C[C@@H]1CNC[C@@H](C)OB(B2OC(C)(C)C(C)(C)O2)O1 170011646 IGLQSAGCEMHFPH-NXEZZACHSA-N 268.959 1.059 0 50 CDAA in-vitro COc1ccnc(Cn2cnc(C)c(C)c2=O)c1OC 188247507 HGUWMJQTYRMSBT-UHFFFAOYSA-N 275.308 1.321 0 50 CDAA CC[C@]1(C)CN(C(=O)N[C@H](COC)C2CC2)CCO1 188225011 GZEOZMNTFQTNSQ-TZMCWYRMSA-N 270.373 1.622 0 50 CDAA CC(C)c1cc(C(=O)N2CCCNC(=O)[C@H]2C)no1 188898142 SZRVIZKGDMIUMA-SECBINFHSA-N 265.313 1.149 0 50 CDAA Cc1cc(C2(NC(=O)[C@H]3NCC3(C)C)CCOCC2)on1 638764324 SOTADXFEFCJTLP-GFCCVEGCSA-N 293.367 1.103 0 50 CDAA Cc1ccc(C(=O)N(C)[C@@H]2CCC(=O)N(C)C2)n1C 554934547 ULZNGEFGGLUIPH-LLVKDONJSA-N 263.341 1.026 0 50 CDAA CCN1CCCN(C(=O)Nc2nccs2)CC1=O 190839200 WUTGPXANEMIREL-UHFFFAOYSA-N 268.342 1.229 0 50 CDAA CCO[C@H]1C[C@](O)(CNC(=O)c2cc(C)no2)C1(C)C 191739526 BIMZGJWEPVKFQJ-FZMZJTMJSA-N 282.340 1.279 0 50 CDAA CC(C)n1ccnc1CN1CCC[C@](O)(c2cnn[nH]2)C1 583617984 PXZJMOSRYIQEQV-CQSZACIVSA-N 290.371 1.066 0 50 CDAA CN(C)Cc1cccc(NC(=O)N2CCn3ccnc32)c1 585119122 SFJBPGBAMDDMJM-UHFFFAOYSA-N 285.351 1.997 0 50 CDAA COCCC(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653334105 XSELPWNZSXAYRC-VXGBXAGGSA-N 263.293 1.452 0 50 CDAA C[C@@]1(C2CC2)CN(c2nc(N)nc3c2CCCC3)CCO1 664179811 XVEPTFBLWLFXIY-INIZCTEOSA-N 288.395 1.943 0 50 CDAA O=C(OCc1ncccn1)c1n[nH]c2ccccc12 791270819 OUZPJCITQKRSBY-UHFFFAOYSA-N 254.249 1.710 0 50 CDAA O=C(N[C@H](CO)CC1OCCO1)OCC1CCCCC1 1615057328 RZCWAKYFQJZTBW-LBPRGKRZSA-N 287.356 1.417 0 50 CDAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)[N@]1O[C@]13C2(Cl)Cl 1857776619 HAMBQYFZDBYWHU-RAMKJMONSA-N 298.191 1.883 0 50 CDAA C=C=CCNS(=O)(=O)C[C@H]1CCC2(CCC2)O1 1212341898 YHSIWXXMTGYXNZ-LLVKDONJSA-N 257.355 1.349 0 50 CDAA Cc1nncn1CCN1CCC[C@]2(CCN(C)C2)C1 1506397506 SHGOLWXLDFAVCQ-CQSZACIVSA-N 263.389 1.004 0 50 CDAA CCc1c(C)noc1NC(=O)c1cnc(N(C)C)nc1C 1506419342 OKKXMLNCBXYHFX-UHFFFAOYSA-N 289.339 1.962 0 50 CDAA CCN(Cc1nc(C(C)C)no1)c1cnc(C(=O)O)cn1 1529172811 PDNGXMXRLFYPOA-UHFFFAOYSA-N 291.311 1.708 0 50 CDAA C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O 74730 PAUBDKVONJBMDJ-YFKPBYRVSA-N 298.147 1.745 0 50 CDAA in-vitro O=C(O)[C@H]1CN(CCCCc2ccccc2)CC[C@H]1O 1704299540 UAGXOZFVPFNDMH-LSDHHAIUSA-N 277.364 1.777 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](n2cc(N)cn2)C1 16696927 FGJHGFJRZPJLDN-JTQLQIEISA-N 252.318 1.647 0 50 CDAA in-vitro O=S(=O)(NC[C@@H]1CCNC1)c1cccc2ccccc12 122202596 XPDRSNFSLOFXID-GFCCVEGCSA-N 290.388 1.728 0 50 CDAA CN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]2C[C@@H](N)[C@H]2C1 1857527823 YCSTYMQVGCYTSH-QCLAVDOMSA-N 264.291 1.771 0 50 CDAA COC(=O)[C@H](C)CS(=O)(=O)N(C)[C@H](C)C1(C)CC1 246519071 UCWCKKKOYZISIS-NXEZZACHSA-N 277.386 1.246 0 50 CDAA Cc1cc(C)n(CCCNc2nnc(CN(C)C)o2)n1 1772809279 RKZXHRODAYXSPY-UHFFFAOYSA-N 278.360 1.447 0 50 CDAA CC(C)CCNC(=O)c1ccc(-n2cnnn2)cc1 12321461 KJUHANGVLDBFAG-UHFFFAOYSA-N 259.313 1.438 0 50 CDAA CCOC(=O)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1 12869222 UZQSGOCYJSXVPG-UHFFFAOYSA-N 298.289 1.879 0 50 CDAA Cc1ccc(CCNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)o1 15066315 JBGKDQYZLYPSHJ-LBPRGKRZSA-N 290.363 1.648 0 50 CDAA COC(=O)CNC(=O)N1CCC[C@H]1c1ccco1 15838056 APTRKWHZACZUJI-VIFPVBQESA-N 252.270 1.299 0 50 CDAA CCN1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 19225406 ZCFWWTKTZWQHDT-CYBMUJFWSA-N 279.428 1.461 0 50 CDAA Fc1cccc(F)c1CNCCN1CCOCC1 19953905 ZEXJWPFZBFSBQE-UHFFFAOYSA-N 256.296 1.387 0 50 CDAA Cc1cc(CO)cc(N2C[C@H](C)O[C@H](C3CC3)C2)n1 408524000 PGMDBRVSCVPIAQ-FZMZJTMJSA-N 262.353 1.886 0 50 CDAA CC(C)OCCCNC(=O)C(=O)NCCc1ccccc1 2994918 CKNYMFJJNHUULQ-UHFFFAOYSA-N 292.379 1.277 0 50 CDAA CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)CCc1ccoc1 240244155 DKIFQKDPXZBJLL-QWHCGFSZSA-N 283.368 1.486 0 50 CDAA CNC(=O)[C@@H](C)NC(=O)c1c[nH]cc1-c1ccc(C)s1 346874431 UMYIKZYFJBTBKC-SECBINFHSA-N 291.376 1.916 0 50 CDAA Cc1c(C)c(C)c(CNC(=O)[C@H]2CNC(=O)C2)c(C)c1C 151331286 NSKVKXDOSIYLDI-CQSZACIVSA-N 288.391 1.981 0 50 CDAA NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cscn2)C1 585087176 MIGKEINSDSQHBQ-HNNXBMFYSA-N 287.388 1.772 0 50 CDAA CC1CCN([C@@H](CNC(=N)N)c2ccccc2)CC1 263967911 MSPXRXAFEMNKEL-AWEZNQCLSA-N 260.385 1.943 0 50 CDAA Cc1nccc(N2CCC[C@H](c3nncn3C)C2)n1 266445906 WTMKAGXXDUFPFL-NSHDSACASA-N 258.329 1.298 0 50 CDAA O=C(O)c1cccc(N2CCN(C[C@H]3CCCO3)CC2)n1 900985555 MLXDZBVMJYPCJH-GFCCVEGCSA-N 291.351 1.081 0 50 CDAA COC[C@@H](C(N)=O)N(C)C(=O)c1cc(F)cc2ccoc12 820573917 WGAMRFWGRUKWON-NSHDSACASA-N 294.282 1.144 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N1C[C@H](C)[C@@H](C(=O)O)C1 827901907 BXYOINAZFSQJMN-NHCYSSNCSA-N 278.308 1.028 0 50 CDAA O=C(c1cccc[n+]1[O-])N1CCc2nc[nH]c2C12CCC2 829063152 VYKXHSJIYCRGNN-UHFFFAOYSA-N 284.319 1.121 0 50 CDAA COc1ccccc1[C@H](O)CN[C@@H]1CCC1(OC)OC 864097177 POWLMUVYIKQHMG-TZMCWYRMSA-N 281.352 1.470 0 50 CDAA O=C(Cc1cn2cc(F)ccc2n1)NOCC1CC1 868554643 UIPMNYUPKWXRPJ-UHFFFAOYSA-N 263.272 1.474 0 50 CDAA Cc1nnc(C2(C)CN(C(=O)OCCCF)C2)o1 952895998 ZWKYNPBXTCQZQO-UHFFFAOYSA-N 257.265 1.448 0 50 CDAA CCC(CC)(NC(C)=O)c1noc([C@](C)(O)C2CC2)n1 1875291432 YQQGDLMQWXCSDP-CYBMUJFWSA-N 281.356 1.839 0 50 CDAA Cc1ccc(CNC(=O)N2CC(C[S@@](C)=O)C2)cc1 1875303929 SHTBJWXFNFYBDO-LJQANCHMSA-N 280.393 1.515 0 50 CDAA Cc1cc(C(=O)NC2(c3ccccc3)COC2)ncn1 888566074 FHSZMHHYFLGPMO-UHFFFAOYSA-N 269.304 1.441 0 50 CDAA CN(C)C[C@@]1(O)CCN(c2nc3cccc(F)c3s2)C1 895010290 OGLHFXCGUSRNKM-AWEZNQCLSA-N 295.383 1.938 0 50 CDAA Cc1c(C(=O)O)cccc1N(C)C(=O)[C@H]1CCOC1 1775998361 XHOIUOMRRIZYJK-JTQLQIEISA-N 263.293 1.693 0 50 CDAA Cc1nc(C(C)C)oc1C(=O)N1CC[C@@]1(C)CO 1775998592 ZOUPLAGVJNXUGW-ZDUSSCGKSA-N 252.314 1.703 0 50 CDAA CC[C@H]1CN(C(=O)c2ccc(CN)cc2)C[C@@H](C)O1 237066507 OMKDZLFTQXKRKM-RISCZKNCSA-N 262.353 1.785 0 50 CDAA COc1ccc(CN(C)CCN(C)C)cc1OC 22585260 QKRUQAAUPSYDTE-UHFFFAOYSA-N 252.358 1.697 0 50 CDAA CC[C@H](OC)C(=O)N1CCCC[C@H]1CCC(=O)O 262149025 LJJMOWIYLBOOIN-QWRGUYRKSA-N 257.330 1.657 0 50 CDAA CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc(CCO)cc2)C1 294416969 WQNZQFGLXUFWOF-LSDHHAIUSA-N 297.420 1.989 0 50 CDAA Nc1ccc(CNc2ncc(Br)cn2)cn1 302791209 YTPLQCMOGDKDEM-UHFFFAOYSA-N 280.129 1.828 0 50 CDAA O=C(c1cccnc1O)N1CCC[C@H](c2ncc[nH]2)C1 75552171 PCJQOWNNRGVFDL-JTQLQIEISA-N 272.308 1.530 0 50 CDAA Cc1[nH]nc(C(=O)Nc2ccc(C(N)=O)cc2)c1C 359970356 LWGQLPHQJLYHNM-UHFFFAOYSA-N 258.281 1.378 0 50 CDAA Cc1cc([C@@H]2CCCN2C(=O)CCc2nc(O)n[nH]2)on1 2100473267 IBUITODBMSXXBP-VIFPVBQESA-N 291.311 1.103 0 50 CDAA CCn1ccc(CSc2nc3c(N)ncnc3[nH]2)n1 2325806879 MHLCTFREYSFPJV-UHFFFAOYSA-N 275.341 1.444 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC[C@H]1CCC2(CCC2)O1 886047557 FRBIYHWQSAUKQJ-GFCCVEGCSA-N 280.368 1.239 0 50 CDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCc1ccncc1 108336 SHFXMTJZLYNCPQ-STQMWFEESA-N 276.336 1.631 0 50 CDAA COC(=O)c1nc(Cl)c(NCC2CC2)nc1N 165303 DOSXIGWPGFLMOJ-UHFFFAOYSA-N 256.693 1.321 0 50 CDAA NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 241480 QGLQAPPNLSDXHB-AWEZNQCLSA-N 294.310 1.379 0 50 CDAA COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 456161 CEVSEIUQWRRACX-UHFFFAOYSA-N 265.284 1.851 0 50 CDAA O=C(O)C[C@H]1NC(=O)c2ccc(Br)cc21 855997 XVXSSJSVLDUNHM-MRVPVSSYSA-N 270.082 1.708 0 50 CDAA CCN(CC)CCOC(=O)c1ccc(O)c(OC)c1 2294628 AEHAGXHAPATGJS-UHFFFAOYSA-N 267.325 1.899 0 50 CDAA biogenic OC[C@@]12COC[C@@H]1CN(c1ncnc3cccc(F)c13)C2 2356148232 MVBKQLYESCAHLW-BONVTDFDSA-N 289.310 1.214 0 50 CDAA COc1ccc(NC2=NC3(CCCC3)NC(N)=N2)cc1 2482860 XBTTVNCRLWYBTQ-UHFFFAOYSA-N 273.340 1.651 0 50 CDAA O=C1COC2(CCN(c3cnc4ccccc4n3)CC2)CN1 2356169092 UTWJJFYHVKBCNI-UHFFFAOYSA-N 298.346 1.115 0 50 CDAA Cc1ncoc1CNC(=O)[C@@H]1COc2ccccc2C1 1363041996 ILIGHUUAVMUDFB-LBPRGKRZSA-N 272.304 1.851 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 4785195 ZVOHAGXAHBJJNM-LBPRGKRZSA-N 299.348 1.323 0 50 CDAA CCCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1C 10013005 UOTMBYAATCILML-UHFFFAOYSA-N 289.335 1.746 0 50 CDAA Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 101115591 SEXDDVCKKZIAFB-NDBYEHHHSA-N 255.273 1.438 0 50 CDAA Cc1ccc(C(=O)CSc2n[nH]c(N)n2)c(C)c1 8491611 HSHMCKREVQEXIQ-UHFFFAOYSA-N 262.338 1.979 0 50 CDAA Cc1n[nH]c(Nc2ccc(N3CCOCC3)cc2)nc1=O 8997533 ZUKNFFPJWMJRHL-UHFFFAOYSA-N 287.323 1.054 0 50 CDAA Cc1ccccc1-c1ccnc2c1c(=O)n(C)c(=O)n2C 9698382 GUDSZUMFBSBFIA-UHFFFAOYSA-N 281.315 1.608 0 50 CDAA CCOc1ccc(S(=O)(=O)NCCCO)c(C)c1C 54363548 BOCMZSWWGYJQDP-UHFFFAOYSA-N 287.381 1.363 0 50 CDAA Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 100254201 AIFNWZHPCZBGMK-XRRVDJEJSA-N 254.289 1.702 0 50 CDAA C[C@@H](NCC1(Cn2ccnc2)CC1)C(=O)NC1CCCC1 65493819 HWVWUZMROQOFMM-CYBMUJFWSA-N 290.411 1.700 0 50 CDAA COCC1(CNC(=O)c2ccccc2NCC(=O)O)CC1 65526557 DXTHICWXTVULIJ-UHFFFAOYSA-N 292.335 1.340 0 50 CDAA C[C@@H]1c2cccn2CCN1C(=O)CCC1=NNC(=O)CC1 67833836 YGNLKTYUGYRYNZ-LLVKDONJSA-N 288.351 1.438 0 50 CDAA CCc1nc(CCNC(=O)C2(C(=O)O)CC2)sc1C 118950680 OUDQFLPCTBFYCC-UHFFFAOYSA-N 282.365 1.537 0 50 CDAA Cc1nc([C@H]2CCCN2C(=O)N=c2cc[nH]cc2)no1 328983178 FMEKZKMTKOJIGH-LLVKDONJSA-N 273.296 1.564 0 50 CDAA O=C(NCCCn1nccc1C1CC1)c1cn[nH]c1 216059403 IYFAUXFVETUAMU-UHFFFAOYSA-N 259.313 1.304 0 50 CDAA Cc1cc(NC(=O)NCCN(C)C)ccc1S(C)(=O)=O 354950981 HAZFUEARYILGMO-UHFFFAOYSA-N 299.396 1.082 0 50 CDAA O=S(=O)(CCC1CCC1)N[C@@H]1CCn2ccnc2C1 329434649 LNXQDERNBAERKO-GFCCVEGCSA-N 283.397 1.308 0 50 CDAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccccc1F 54274549 SUDQVTDUCYAISN-LBPRGKRZSA-N 280.299 1.402 0 50 CDAA CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cccnc1 519407309 GBKAKFJRFHWHEG-HZSPNIEDSA-N 287.363 1.469 0 50 CDAA Cc1cccnc1[C@@H](O)C(=O)N(C)Cc1ccc(O)cc1 328594500 OTBCQSJBBDZMKD-OAHLLOKOSA-N 286.331 1.788 0 50 CDAA Cc1cnn([C@@H]2CCN(C(=O)c3csc(O)n3)C2)c1 330333109 YFUOOXUOXZLCIG-SECBINFHSA-N 278.337 1.441 0 50 CDAA CCn1cnnc1[C@@H]1CN(Cc2ccco2)CCO1 328656253 ZEQDEFDOPOSBHK-LBPRGKRZSA-N 262.313 1.465 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)CCc1ccncc1 328622940 IURSMZVCBUCREM-OAHLLOKOSA-N 298.390 1.932 0 50 CDAA Cc1nc(CCCNC(=O)c2ncc[nH]2)sc1C 71707976 ZIIZIXIYMYCKMY-UHFFFAOYSA-N 264.354 1.846 0 50 CDAA COCc1cc(NCCc2c[nH]cn2)n2nccc2n1 72423206 KQLRYJJNWDXBIG-UHFFFAOYSA-N 272.312 1.253 0 50 CDAA CN1C(=O)C[C@@H](CN[C@@H]2CCSC2)[C@@H]1c1cnn(C)c1 328628327 NPGDCTGHYOEHPV-ZKYQVNSYSA-N 294.424 1.035 0 50 CDAA O[C@H]1C[C@@H](c2cccc(F)c2)N(CCn2ccnc2)C1 281958068 UYIVFUGUWHGXBD-GJZGRUSLSA-N 275.327 1.830 0 50 CDAA Cc1csc([C@H](NC(=O)c2cnnn2C)C2CC2)n1 282086440 APLSSFJHFMNMFD-SNVBAGLBSA-N 277.353 1.461 0 50 CDAA COc1ccc(CN(C)C[C@H]2COCCO2)cc1F 215421029 OSYLWSRRVVDBOL-LBPRGKRZSA-N 269.316 1.682 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)NC1(CO)Cc2ccccc2C1 335735377 FGOSLRHYCOKHEU-IUODEOHRSA-N 289.375 1.448 0 50 CDAA COc1ccccc1CC(=O)Nc1cnn(CC(=O)O)c1 38029627 LLGGFLINRISQPZ-UHFFFAOYSA-N 289.291 1.158 0 50 CDAA O=C(N[C@@H]1CCc2ccccc2C1)c1nc2ncccn2n1 215620438 ARIJNEXGHKDNOR-CYBMUJFWSA-N 293.330 1.412 0 50 CDAA C[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)C(N)=O 72166846 LJFSRPRHZQGJQS-JTQLQIEISA-N 281.319 1.682 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(C)cc1O 219407369 XMEAJKLKRKSWLF-TZMCWYRMSA-N 279.336 1.624 0 50 CDAA C=CC(=O)NCCC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 367848891 VSPURLRPQCZKBD-LLVKDONJSA-N 296.758 1.002 0 50 CDAA COC(=O)c1ccc(O)c(NC(=O)[C@H]2CCCOC2)c1 240886230 INYBURPXJDDJCF-JTQLQIEISA-N 279.292 1.544 0 50 CDAA COC[C@@]1(C)NC(=O)N(Cc2sccc2Cl)C1=O 332696395 WHVNUSDUJDNQCM-LLVKDONJSA-N 288.756 1.858 0 50 CDAA COC[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 127001742 UIPGAEQUTYNLKJ-CYBMUJFWSA-N 273.329 1.735 0 50 CDAA CC(=O)N[C@H](C(=O)N1CC[C@](C)(C(=O)O)C1)C1CCCC1 236679791 UNXVGEFWCSBTEU-WFASDCNBSA-N 296.367 1.005 0 50 CDAA CC1(C)CN(Cc2cccc(OCC(N)=O)c2)C[C@]1(C)O 219576842 CSFPYACPFNENAY-INIZCTEOSA-N 292.379 1.144 0 50 CDAA CCCc1oncc1C(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 72140272 LZZJOYPKOGWVTJ-CQSZACIVSA-N 293.323 1.294 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@H]2CN)c2cnn(C)c2n1 130925200 JBBNJGPFOOSVLW-LLVKDONJSA-N 287.367 1.230 0 50 CDAA O=C(c1nccc2ccccc12)N1C[C@@H](F)C[C@H]1CO 334406021 QKUXQLJJUYJKPC-RYUDHWBXSA-N 274.295 1.780 0 50 CDAA CCc1nc([C@@H](C)NC[C@H]2COCCO2)cs1 450731331 YBBRCEVKQSMROA-ZJUUUORDSA-N 256.371 1.772 0 50 CDAA Cc1ccc2ncc(CN3CCC4(CCN4)CC3)n2c1 335411989 GXWMIFTWBAHDEA-UHFFFAOYSA-N 270.380 1.971 0 50 CDAA COC[C@H]1CN(Cc2cncnc2)CC(C)(C)O1 284614623 SHMIWLUKGNLPFD-GFCCVEGCSA-N 251.330 1.102 0 50 CDAA CCc1ccnc(C(=O)N2C[C@@H](COC)OC(C)(C)C2)c1 285563567 RMRACCTYUHUKCM-ZDUSSCGKSA-N 292.379 1.910 0 50 CDAA CCn1cnnc1CN(C)C(=O)C(=O)c1ccccc1 221422119 BMDYBTWYUDIUCG-UHFFFAOYSA-N 272.308 1.139 0 50 CDAA CC(C)(C)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)no1 263331851 VEUUQCMLKFDQPW-VIFPVBQESA-N 296.323 1.288 0 50 CDAA Cc1nonc1CC(=O)N1CCO[C@@H](c2ccccc2)C1 221298247 WSTOIQZDUWOZFZ-CQSZACIVSA-N 287.319 1.521 0 50 CDAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCCC[C@@H](N)C1 82096788 APHGDUNSPYTGPG-GFCCVEGCSA-N 293.411 1.989 0 50 CDAA CN(Cc1ncon1)C(=O)c1nc2ccccc2[nH]1 426697568 QWHPVPBANFFJEI-UHFFFAOYSA-N 257.253 1.218 0 50 CDAA COc1cccc(F)c1C(=O)N[C@H](C(=O)O)C1CC1 88079793 PYVCQALCBDLSJU-NSHDSACASA-N 267.256 1.427 0 50 CDAA O=C(NCC(=O)N1CCCC1)c1ccccc1-n1cccn1 46916606 LGRIRKSBVIISIL-UHFFFAOYSA-N 298.346 1.225 0 50 CDAA O=C(NCCn1cccc1)N1CCC[C@@H]1[C@@H]1CCCO1 239352159 ABGYHYQQOKUEQY-KGLIPLIRSA-N 277.368 1.841 0 50 CDAA CCOC(=O)N1CC[C@](C)(N2CCC(O)CC2)C1 95081536 KAORKQKJTABAMV-ZDUSSCGKSA-N 256.346 1.064 0 50 CDAA CC(=O)c1cnc(N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)nc1C 95374414 JJBAZBYQQISSRN-LVEBTZEWSA-N 273.336 1.601 0 50 CDAA O=C(Cc1cnn(-c2ccccc2)c1)NC[C@H]1CCCN1 178719032 DXJWKIAQQVGYOB-CQSZACIVSA-N 284.363 1.283 0 50 CDAA Cc1ncsc1CCC(=O)N[C@@H](C(N)=O)C(C)C 97657342 UVKLBRRZTQFXDA-LLVKDONJSA-N 269.370 1.010 0 50 CDAA CN(Cc1cccc(-c2nnn[nH]2)c1)c1ccncn1 91625268 BDGKQULMUHYMOB-UHFFFAOYSA-N 267.296 1.293 0 50 CDAA CCn1nc(C)c(C(=O)N2CC[C@@H](CNC)C2)c1Cl 179028879 PMAKUHNBDLQRMN-JTQLQIEISA-N 284.791 1.546 0 50 CDAA CCc1ccc(Cn2ncnc2CCNC(C)=O)cc1 91746032 YPYIJIXBVAPEET-UHFFFAOYSA-N 272.352 1.567 0 50 CDAA Cc1cc2cc(NC(=O)N3CCOC[C@@H](O)C3)ccc2o1 95520852 LBEXJFVOLLUQRD-ZDUSSCGKSA-N 290.319 1.966 0 50 CDAA CC(C)C(=O)N1CCCN(Cc2c[nH]cn2)CC1 179401258 ZBGFAKMGVKLXNP-UHFFFAOYSA-N 250.346 1.100 0 50 CDAA NC[C@@H]1CCCCN1C(=O)Cc1cc(F)ccc1F 237834165 NVPMEUKDWOLDFP-LBPRGKRZSA-N 268.307 1.847 0 50 CDAA FC(F)c1nnc(N2CCC[C@H](n3ccnn3)C2)o1 333373866 AKJXUFHQUIOKOO-ZETCQYMHSA-N 270.243 1.440 0 50 CDAA Cc1cccc(CS(=O)(=O)N2C[C@H](C(C)C)[C@@H](N)C2)c1 92022777 HJOVRJLFFATCCM-CABCVRRESA-N 296.436 1.740 0 50 CDAA CCC[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1C(=O)O 92098307 PHRPZYLJLDMHPY-MWLCHTKSSA-N 274.324 1.895 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@@](C)(O)c1cccs1 267210353 GISIKYKVWRGGHC-WXJAXGNASA-N 268.382 1.190 0 50 CDAA O=C1NCCCc2[nH]c(-c3noc(C4CCC4)n3)nc21 95505227 FXGNIARUFICSBV-UHFFFAOYSA-N 273.296 1.403 0 50 CDAA CCc1nc(CN2CCN(C(C)C)[C@H](C)C2)n[nH]1 244708086 KNEGNHVHUUODTR-LLVKDONJSA-N 251.378 1.282 0 50 CDAA O=C1[C@H]2C[C@H]2[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 247710127 IPILPBGNJMMELT-GXYBRJDSSA-N 293.322 1.813 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2F)C1 299740003 UPQBRZUAWOJWCK-GHMZBOCLSA-N 298.333 1.929 0 50 CDAA CNc1nc(C)cc(C(=O)NCCc2ncccc2C)n1 296345945 DLLGEACWANWMIA-UHFFFAOYSA-N 285.351 1.503 0 50 CDAA O=C(CN1CCCC1=O)Nc1ncn(C2CCCCC2)n1 182693745 IEVAQAIPKIKNLW-UHFFFAOYSA-N 291.355 1.344 0 50 CDAA CC[C@H](OC1CCCC1)C(=O)N1CCO[C@H](C(=O)O)C1 299749050 IYWVWMJGBUNASN-RYUDHWBXSA-N 285.340 1.036 0 50 CDAA Cc1nc2c([nH]1)CC[C@H](C(=O)Nc1nncs1)C2 299742735 ITSLFQBHLVVBJQ-ZETCQYMHSA-N 263.326 1.313 0 50 CDAA C[C@H](CC(=O)OC(C)(C)C)NCc1nnc2ccccn12 183818765 LFGPSGZKCKSDKX-LLVKDONJSA-N 290.367 1.939 0 50 CDAA O=C(CCCN1CCCC1=O)NCC[C@@H]1CCCOC1 534665404 BQLJBKDSKCIILU-ZDUSSCGKSA-N 282.384 1.322 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1cc2cc(C)ccn2n1 534631762 BSRGXFAUIITGHB-KBPBESRZSA-N 289.335 1.176 0 50 CDAA Cn1cc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cn1 264607598 OTYWTVNVCMRHKQ-CQSZACIVSA-N 291.399 1.190 0 50 CDAA Cc1ncsc1C(=O)N[C@H](C)c1ncnn1C 276387335 ABXYQRUYHKCFEH-SSDOTTSWSA-N 251.315 1.071 0 50 CDAA CCc1nc([C@H]2CC[C@@H](N)[C@H](OC)C2)n(CC)n1 1940195408 AXWRSQZHYZWNNT-HBNTYKKESA-N 252.362 1.470 0 50 CDAA C[C@H](CN1CCOCC1)c1ncnn1C(C)(C)C 822280193 MKASRYXCFHCFBE-LLVKDONJSA-N 252.362 1.469 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)C(C)(C)OCC 823288282 FRRYKNHMUPJAHB-SNVBAGLBSA-N 268.361 1.680 0 50 CDAA CCc1nn(C)c2c(=O)n(CC[C@H]3CCCN3C)cnc12 584895895 REILDIPNLXZEGL-LLVKDONJSA-N 289.383 1.177 0 50 CDAA Cc1nc([C@@H]2C[C@@H](O)CN2)n(CCc2ccccc2)n1 828901675 JEITUHZQCMZWTI-KGLIPLIRSA-N 272.352 1.225 0 50 CDAA COCCn1cnnc1[C@@H](C)NCc1n[nH]c(C)c1Cl 952974330 ICVJQZRGDNNDBA-SECBINFHSA-N 298.778 1.460 0 50 CDAA CCOCCC(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952982706 YJSYGMIOXLMQQD-SECBINFHSA-N 277.324 1.981 0 50 CDAA CCOC(=O)c1cnc(NCc2c(C)n[nH]c2C)nc1C 952991753 JTLZEWPWTZYRML-UHFFFAOYSA-N 289.339 1.914 0 50 CDAA Cc1ccc(CNCc2nc(O)n[nH]2)c2cccnc12 952976127 KYOHXRXXYKBWFJ-UHFFFAOYSA-N 269.308 1.657 0 50 CDAA C[C@H]1CN(C(=O)Cc2cscn2)C[C@]1(O)C1CCC1 1565506871 UKMKUSYVPPZXEZ-IINYFYTJSA-N 280.393 1.695 0 50 CDAA N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1O 1565516267 AHTCGPUJPCGEGM-RYUDHWBXSA-N 292.276 1.738 0 50 CDAA CC(C)(C)CC(C)(C)NC(=O)N[C@H]1CCOC[C@@H]1O 1565507883 YEMKTAZJNMTJIP-QWRGUYRKSA-N 272.389 1.650 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2COCCN2)C[C@H](c2ccsc2)O1 269227085 FKGGOGPWPLUYFU-RAIGVLPGSA-N 296.392 1.025 0 50 CDAA CCOC(=O)[C@H]1C(=O)CCCN1C(=O)OC(C)(C)C 100050951 GEBLXHUPYRYFEX-SNVBAGLBSA-N 271.313 1.518 0 50 CDAA in-vitro CCc1cc(C(=O)NC[C@@H]2CCc3nccn3C2)[nH]n1 276175056 GRHKJEJOBWZOMW-JTQLQIEISA-N 273.340 1.161 0 50 CDAA CCn1cc(OCc2nnc3n2CCCCC3)cn1 278546705 ATRXJAUKYQNIPT-UHFFFAOYSA-N 261.329 1.800 0 50 CDAA Cc1ccc(CS(=O)(=O)N2CC[C@H]2C(=O)O)cc1C 576164360 VXPUCZDCDKWZQX-LBPRGKRZSA-N 283.349 1.292 0 50 CDAA COC(=O)c1coc(C(=O)N(C2CC2)[C@@H](C)C(=O)O)c1 576279029 CYIBDVNUPXFEFA-ZETCQYMHSA-N 281.264 1.144 0 50 CDAA CCc1cnc(CC(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)[nH]1 635630496 OJBMOARUUGYGGM-KBPBESRZSA-N 290.411 1.600 0 50 CDAA CNC(=O)[C@@H]1CCCCN1Cc1cccc2c1CCOC2 639484190 IALZNQOXNVPMHD-INIZCTEOSA-N 288.391 1.860 0 50 CDAA Cc1ccc(F)cc1NC(=O)C(=O)N1CCO[C@@H](C)[C@H]1C 190023608 LOMXGAREOHJOBC-MNOVXSKESA-N 294.326 1.708 0 50 CDAA C[C@H](C(=O)Nc1ncccn1)N1CC(C)(C)OC(C)(C)C1 190569155 HPCJVSLHTINONN-LLVKDONJSA-N 292.383 1.693 0 50 CDAA Cc1n[nH]cc1NS(=O)(=O)c1cccc2nsnc12 192834856 VWGOUZIXGFPSSG-UHFFFAOYSA-N 295.349 1.524 0 50 CDAA CCN=c1[nH]nc(SC[C@H](O)CC2(O)CCC2)s1 585120919 WURHILVEBUJMNX-MRVPVSSYSA-N 289.426 1.150 0 50 CDAA CC[C@H](C)[C@H](C)C(=O)Nc1ccc(-n2nn[nH]c2=O)cc1 194317444 LXCNCRPTQRCYGD-UWVGGRQHSA-N 289.339 1.576 0 50 CDAA Cc1noc(CN(C)Cc2ccsc2C(=O)O)n1 656191916 FLMOQEXCAVZZJX-UHFFFAOYSA-N 267.310 1.770 0 50 CDAA O=C1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCCN1 787297479 XEAABPLCLAUPET-RKDXNWHRSA-N 298.795 1.854 0 50 CDAA COC(=O)N(Cc1noc(-c2coc(CO)c2)n1)C1CC1 1615587020 IHRCQDVDKVQDOE-UHFFFAOYSA-N 293.279 1.553 0 50 CDAA Cc1cccnc1NCc1c(Br)nnn1C 1616032703 SOROSFZQYXIIIN-UHFFFAOYSA-N 282.145 1.893 0 50 CDAA CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 428690 JFDXVNKIZQEFCT-UHFFFAOYSA-N 294.376 1.380 0 50 CDAA C[C@@H](c1ccccc1)n1nccc1NC(=O)CCN 1529091888 RXYXDLBGOKDEIM-NSHDSACASA-N 258.325 1.780 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)Cn1nc(C)cc1C 1529100755 ZBJHLPNCSPSALQ-UHFFFAOYSA-N 275.356 1.743 0 50 CDAA Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 142735 TWDXGFYTZRHHCF-UHFFFAOYSA-N 254.355 1.880 0 50 CDAA in-vitro COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(C)=O 453417 OQYOSMLMGSMCGY-UHFFFAOYSA-N 297.254 1.947 0 50 CDAA C[C@H]1CN(C(=O)CCc2nccs2)CCC1=O 329402054 YJXMPOOOMKTBHD-VIFPVBQESA-N 252.339 1.513 0 50 CDAA Cc1nccc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)n1 1704302712 RPCUKWFKIYTHJL-TZMCWYRMSA-N 270.336 1.220 0 50 CDAA O=C([C@H]1C=CCN1)N1CCC2(CCCCO2)CC1 1857684772 CQJCLMJFZNWYQJ-GFCCVEGCSA-N 250.342 1.076 0 50 CDAA C[C@H](CNC(=O)c1cocn1)CN1CCCCC1 264264489 QETSQOYOQHSIGM-LLVKDONJSA-N 251.330 1.526 0 50 CDAA Cc1nnc2n1C[C@H](CNC(=O)c1ccc3c(c1)CCO3)C2 1772703868 FZWLROWRVGISMQ-NSHDSACASA-N 298.346 1.124 0 50 CDAA NCCCNC(=O)CCCNC(=O)OCc1ccccc1 1772575823 ILTUXNGLBPTQQX-UHFFFAOYSA-N 293.367 1.158 0 50 CDAA CCCCN1C[C@H](C(=O)N2CCC[C@H](C)C2)CC1=O 16527277 MQMDKQYFFOECMA-QWHCGFSZSA-N 266.385 1.894 0 50 CDAA OCC[C@@H]1CN(Cc2ncc[nH]2)CCN1C1CCCC1 19867805 FIMYYJCASVNWDA-CQSZACIVSA-N 278.400 1.221 0 50 CDAA CNS(=O)(=O)c1cccc(C(F)(F)F)c1C 160892348 VWGPUASBNPAPDE-UHFFFAOYSA-N 253.245 1.922 0 50 CDAA Cc1ccc(C)c(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)c1 1857718900 YVXKFDKKPDAIJO-NWANDNLSSA-N 276.380 1.408 0 50 CDAA CN1Cc2cc(-c3nc(N)c4cnn(C)c4n3)ccc2C1=O 1875241242 RRXOEPXEIWMNTH-UHFFFAOYSA-N 294.318 1.198 0 50 CDAA COC(=O)[C@H]1CCC[C@@H](c2nc(-c3ccn(C)n3)no2)C1 601967890 ILKSBVIETUJRBK-ZJUUUORDSA-N 290.323 1.917 0 50 CDAA C[C@@H]1CN(C(=O)Cc2cccc3c2CCNC3)[C@H](C)CO1 637929967 RHVYUKGIQGVVIB-CHWSQXEVSA-N 288.391 1.511 0 50 CDAA C[C@]1(C(=O)NCc2nccc(=N)[nH]2)CCc2ccccc2C1 333408096 GNXVMWYTRONSHC-KRWDZBQOSA-N 296.374 1.701 0 50 CDAA COC(=O)[C@]1(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CCOC1 241383475 MVPODEALSXWJNC-XEZPLFJOSA-N 295.379 1.651 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)COc1cccnc1 267279577 BSOJSFPXMBWXER-IUODEOHRSA-N 278.352 1.638 0 50 CDAA C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H](C(=O)O)C1 124995155 JWNPIFJRJSVFBS-KCJUWKMLSA-N 278.308 1.877 0 50 CDAA Cc1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc1 1704310946 WAYZGOCJOWHMBI-IAGOWNOFSA-N 289.423 1.669 0 50 CDAA CC(C(=O)NS(=O)(=O)c1c(C)cnn1C)=C1CCCC1 813987953 XVMUIUBLDQRXLY-UHFFFAOYSA-N 297.380 1.424 0 50 CDAA Cn1ncc(CN2c3ccccc3CC[C@@H]2CCO)n1 823449835 UUDMUBGUXCJGGD-CQSZACIVSA-N 272.352 1.519 0 50 CDAA CC1(C)C[C@H](NC(=O)N[C@H](c2ncccn2)C2CC2)CO1 923173356 LYHJIEPGKFUWIG-RYUDHWBXSA-N 290.367 1.794 0 50 CDAA O=C(Nc1cnsn1)N[C@H]1c2ccccc2CC[C@H]1O 931393779 OETOBOSFBIGGMZ-PWSUYJOCSA-N 290.348 1.708 0 50 CDAA O=C(Nc1nc2ccccc2[nH]1)[C@@H]1NCC12CCOCC2 852773159 UBPAJMRJIOCYRK-LBPRGKRZSA-N 286.335 1.270 0 50 CDAA COC(=O)C(=Cc1ccc(NC(C)=O)cc1)NC(C)=O 1857777805 PHTOIEGXKOZQMV-UHFFFAOYSA-N 276.292 1.295 0 50 CDAA NC(=O)C1(O)CCN(C(=O)NC2CCCCCCC2)CC1 864095579 RCHWUPKUCCQMIC-UHFFFAOYSA-N 297.399 1.121 0 50 CDAA C/C(=C\C(=O)N1C[C@@H]2COCC[C@]2(C(N)=O)C1)C(C)(C)C 952849454 CQGABGWDCVVFBL-LYZFSRSYSA-N 294.395 1.329 0 50 CDAA CC(C)C(C)(C)CS(=O)(=O)N1CCC(C(N)=O)CC1 952884272 XHNOPGDSYGLWNF-UHFFFAOYSA-N 290.429 1.196 0 50 CDAA C[C@@H]1CCC[C@@H](Cn2nnnc2N2CCOCC2)C1 952876159 CXWFAHGJOQAMMI-VXGBXAGGSA-N 265.361 1.336 0 50 CDAA CO[C@@H]1Cc2ccc(N[C@@H]3C[C@@H](C)OC3=O)cc2C1 1875259196 LIXNTZWVKOTDCH-OWYVNGRQSA-N 261.321 1.916 0 50 CDAA CNC(=O)Cc1nc2nccc(-c3ccc(F)cc3)n2n1 1875321684 RFEKBNQDEDZCDO-UHFFFAOYSA-N 285.282 1.219 0 50 CDAA Cc1cnc(N2CCC[C@@H]2c2ccc(N)nn2)nc1 886085691 KODAJNJKDXOWEX-LLVKDONJSA-N 256.313 1.499 0 50 CDAA CN(C)Cc1cc(O[C@@H]2CCN(c3ncccn3)C2)ccn1 886039561 TXXLUKZEALTGBX-OAHLLOKOSA-N 299.378 1.591 0 50 CDAA COC[C@]1(C(N)=O)CCCN1CC1=CCCCC1 888078685 LVLPCFHEKZBZOK-AWEZNQCLSA-N 252.358 1.453 0 50 CDAA CCOc1cc(C(=O)NC2(c3ccccc3)COC2)on1 888563194 GAXAKIQMQKCKGR-UHFFFAOYSA-N 288.303 1.729 0 50 CDAA Cn1cncc1-c1noc([C@@H]2OC[C@@H]3CCC[C@@H]32)n1 896240825 XFJGWZAKXAHHOY-ATZCPNFKSA-N 260.297 1.958 0 50 CDAA CC(C)CCn1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)O)N2)n1 1775960085 RMZRXDSLALYUOY-MNOVXSKESA-N 294.355 1.073 0 50 CDAA Cc1c(C(=O)N[C@@H](C)/C=C/C(=O)O)cnn1C(C)C 1776006214 OZKWFPZIUWRTMG-CYNONHLPSA-N 265.313 1.532 0 50 CDAA C[C@@H]1CN(Cc2ccc3ccccc3n2)CCS1(=O)=O 155424472 DDOCAQHXBGRIRU-GFCCVEGCSA-N 290.388 1.854 0 50 CDAA Cc1scc(C(=O)N2CCOC[C@@H]2CC(=O)O)c1C 263547022 UNQBSOSSDDCYQU-JTQLQIEISA-N 283.349 1.681 0 50 CDAA c1cn2cnnc2c(NCCCOC2CCCC2)n1 266451087 NYGJEQQWDTZEPK-UHFFFAOYSA-N 261.329 1.886 0 50 CDAA NC[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)C1CC1 178170445 IRQINUWJOPZAKK-GFCCVEGCSA-N 276.336 1.315 0 50 CDAA CC(C)(C)CN(CC(=O)O)C(=O)[C@@H]1C[C@H]2CC[C@H]1O2 659782118 WZBLQZNTFMUJLJ-GMTAPVOTSA-N 269.341 1.513 0 50 CDAA Cc1nc([C@@H]2CCCCN2Cc2ccnn2C)n[nH]1 407982031 DONIYUSFFRDEDX-LBPRGKRZSA-N 260.345 1.574 0 50 CDAA Cc1ccc(C)c(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c1 994944 JACVWADKMQBFRG-AAEUAGOBSA-N 279.361 1.453 0 50 CDAA Cn1cnc2nc(N3CC(c4ccccn4)C3)ncc21 2100534286 BFPSCQVWOZDPRZ-UHFFFAOYSA-N 266.308 1.362 0 50 CDAA CC1(C)[C@@H](CN)C[C@H]1NC(=O)c1ccc2ccnn2c1 2325800206 WVCFKOPOXHDEGG-DGCLKSJQSA-N 272.352 1.438 0 50 CDAA COC[C@H]1CN=C(NC[C@@H](Nc2ccccc2)C(C)C)N1 2325826662 IWCFEZHDVUYAPG-HUUCEWRRSA-N 290.411 1.687 0 50 CDAA O[C@H]1CCC[C@@H]1N1CCN(c2ccnc3ncccc23)CC1 872441555 HDMMGTWSCZVWJN-HOTGVXAUSA-N 298.390 1.665 0 50 CDAA COc1ccc(S(=O)(=O)N[C@H]2CCSC2=O)cc1 64645 DYYWNIYPXGBOPS-JTQLQIEISA-N 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RULQVTLZBIFBQW-LBPRGKRZSA-N 265.357 1.549 0 50 CDAA COCC[C@@]1(CO)CCCN(c2nc(C)ncc2C)C1 91650587 NLTWSXYQGJCHIP-HNNXBMFYSA-N 279.384 1.709 0 50 CDAA CC[C@@H](C)c1cc(C(=O)N2CC[C@@H](CN)C2)on1 178532403 GOXNRPXVIBQZBE-ZJUUUORDSA-N 251.330 1.609 0 50 CDAA Cc1nc(CCC(=O)NCc2ccc(C(=O)O)cc2)n[nH]1 426477216 LVFXXDBYMAHREK-UHFFFAOYSA-N 288.307 1.060 0 50 CDAA C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ncn(C)n1 291442833 ICSKIFJWTJCFCK-LLVKDONJSA-N 285.351 1.690 0 50 CDAA CNCCNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 237054913 RTGAHNRAJKVQTH-UHFFFAOYSA-N 293.754 1.873 0 50 CDAA O=c1cc(N2CCCCC2)cnn1Cc1nccs1 95391340 RWNKOBKOSPYPAE-UHFFFAOYSA-N 276.365 1.738 0 50 CDAA CCc1nc(N)nc(N2CCC(c3ncon3)CC2)c1C 95354873 MAHKFGXYNYPUJM-UHFFFAOYSA-N 288.355 1.697 0 50 CDAA Cn1cc([C@H](NC(=O)c2ccoc2)[C@H]2C[C@H](O)C2)cn1 244858412 VKSWZNCEYGSZBM-RAIGVLPGSA-N 275.308 1.255 0 50 CDAA NC(=O)[C@H](O)C1CCN(c2nc3cc(F)ccc3o2)CC1 299744596 PHTIONYPQCJPNB-GFCCVEGCSA-N 293.298 1.030 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@H]2N)C1(C)C 299738575 CIIPPJDFQMVVIA-FVCCEPFGSA-N 268.401 1.776 0 50 CDAA Cc1ncc(C(=O)NCc2cc(C3CC3)on2)c(O)n1 534646691 ZKTAXXCWEJJQQT-UHFFFAOYSA-N 274.280 1.286 0 50 CDAA CCOC(C)(C)C(=O)N[C@@H](c1nccn1C)C1CC1 534578308 ZQDVQGKLACOMOY-LLVKDONJSA-N 265.357 1.803 0 50 CDAA O=C(NCC1CCN(c2ncccn2)CC1)c1ccoc1 365098949 VTUZMXPPWFGIJO-UHFFFAOYSA-N 286.335 1.716 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CC(=O)OC23CCCC3)nc1C 1940193471 VXXNIJQFYZWPPF-SNVBAGLBSA-N 290.323 1.303 0 50 CDAA CCn1nc(C)c(NC(=O)N2CCc3n[nH]cc3C2)c1C 299798489 QCKAANXKOICWJJ-UHFFFAOYSA-N 288.355 1.833 0 50 CDAA Cc1ncc(CO)c2cc(-c3nnc(N)s3)c(=O)oc12 1775972965 HVFYPEWPSSCFHC-UHFFFAOYSA-N 290.304 1.089 0 50 CDAA COCCCC1CCN(C[C@H]2COCCO2)CC1 824385252 XBOAFEXIWXGZPC-AWEZNQCLSA-N 257.374 1.540 0 50 CDAA C[C@@H](C(=O)NC1(C(N)=O)CCCCCC1)n1cccc1 584891047 VGHHXRBTSUCKTJ-LBPRGKRZSA-N 277.368 1.744 0 50 CDAA CN1CCC(OCCCN[C@H]2CCCOC2)CC1 823764918 OUOAZRQQDFNOFX-ZDUSSCGKSA-N 256.390 1.256 0 50 CDAA O=S(=O)([C@H]1CC=CCC1)N1CC[C@@]2(CCOC2)C1 952990512 UHAFESVULGLINS-QWHCGFSZSA-N 271.382 1.537 0 50 CDAA O=c1ccccn1CCCNC1CSCCSC1 670435256 LDQBKZJUYRHQJU-UHFFFAOYSA-N 284.450 1.677 0 50 CDAA COCC[C@@H]1CCCN(CCn2cnnc2C)C1 670455480 HUMZESFHUPGYQX-ZDUSSCGKSA-N 252.362 1.335 0 50 CDAA Cc1cccc(CC(=O)N[C@@H]2CCn3ccnc32)c1 1526723410 VVNFARVFSYRGES-CYBMUJFWSA-N 255.321 1.995 0 50 CDAA Cn1ccnc1NC(=O)c1nn(C)c2ccccc12 1129776815 MSPIULHGRCEBFA-UHFFFAOYSA-N 255.281 1.559 0 50 CDAA CC(C)CN1CCC(NCC(=O)NC(C)C)CC1 67713790 HNWMKXUMIDKTIO-UHFFFAOYSA-N 255.406 1.221 0 50 CDAA C[C@H]1CN(CCOc2ccc(CO)cc2)C[C@H](C)O1 16488720 VYCLROYBTWECPZ-STQMWFEESA-N 265.353 1.667 0 50 CDAA CNc1ccnc(N2C[C@H](C)[C@@](O)(C3CCC3)C2)n1 1565526437 RWFCQLOEMWCNMS-IINYFYTJSA-N 262.357 1.506 0 50 CDAA Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@H](C)N)C1 168588011 NLRBWNZCDCQEIT-AAEUAGOBSA-N 279.359 1.566 0 50 CDAA COCC(=O)N(C)C[C@H]1CCN(Cc2ccc(C)s2)C1 408516781 XZAFEOQXGHQUHP-CYBMUJFWSA-N 296.436 1.983 0 50 CDAA O=C(NCC[C@@H]1CCCC1(F)F)N1C[C@@H]2C[C@H]1CN2 892833967 AXLZWIGGBSGEHI-DCAQKATOSA-N 273.327 1.568 0 50 CDAA CCc1cccnc1NC(=O)[C@@H](CC)N1CCCC1=O 271957894 BZIACHRCCSMZAQ-GFCCVEGCSA-N 275.352 1.984 0 50 CDAA O=C(N[C@H]1CCCN(c2nccnc2O)C1)C1CC=CC1 275841169 WBMNAARQPHVLBC-LBPRGKRZSA-N 288.351 1.233 0 50 CDAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC1CCN(C)CC1 170019683 JLQPUSKJVUEMNM-PVAVHDDUSA-N 295.471 1.560 0 50 CDAA C[C@@H](NC(=O)[C@H]1COCCO1)c1csc(C2CC2)n1 170626248 CTROPGUYSNUNFH-LDYMZIIASA-N 282.365 1.613 0 50 CDAA Nc1nccc([C@@H]2CCCN(C(=O)Nc3ccncc3)C2)n1 170616520 PGFKBKQGNDHVRS-LLVKDONJSA-N 298.350 1.865 0 50 CDAA COC[C@H](C)n1ccc(NC(=O)c2ccc3nccn3c2)n1 186612791 DNCYXMDVGUWGSL-NSHDSACASA-N 299.334 1.991 0 50 CDAA COCC(=O)N(Cc1ccccn1)[C@@H]1CCCNCC1 186612128 XJFGEXVQFCJKJT-CQSZACIVSA-N 277.368 1.199 0 50 CDAA C[C@@H]1CCN(C(=O)CC[C@@H](N)c2ccccc2)C[C@@H]1CN 579932246 ABNHRXCXWCBLES-VNQPRFMTSA-N 289.423 1.910 0 50 CDAA CCCCCOCC(=O)N[C@H]1CCCC12OCCO2 585127507 BUUHPVUJADBJTH-LBPRGKRZSA-N 271.357 1.605 0 50 CDAA Cc1nnsc1C(=O)N[C@@H]1COc2ccccc2C1=O 191508301 FDYRLLWKYWCONZ-SECBINFHSA-N 289.316 1.220 0 50 CDAA C[C@H]1Oc2ccccc2N(CC(=O)Nc2cnccn2)C1=O 192578839 WWOFDHRTVPUUOV-SNVBAGLBSA-N 298.302 1.229 0 50 CDAA Cc1n[nH]cc1C(=O)N1CCC([C@@H]2OCCC[C@H]2N)CC1 569809587 OTKGBEXANUVHCP-KGLIPLIRSA-N 292.383 1.077 0 50 CDAA CC[C@@H](O)C(F)(F)C(=O)NCc1ccc(O)c(OC)c1 1615586898 RQBWKHPFQFELBD-LLVKDONJSA-N 289.278 1.423 0 50 CDAA O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 133367 MTMXIDCSVLVFRX-FUEXJSSKSA-N 275.304 1.724 0 50 CDAA biogenic CC(=O)NC(C)(C)C[C@H](C)NCc1nc(C)cc(C)n1 1506408291 WTZNLTLHUDIWEQ-LBPRGKRZSA-N 278.400 1.876 0 50 CDAA COc1nccnc1N1CCCN(C(=O)C2CCC2)CC1 1506403083 QSOHGZUMTKNPBE-UHFFFAOYSA-N 290.367 1.324 0 50 CDAA COc1nccnc1N[C@H]1CCCN(c2ncccn2)C1 1506401571 JQUOSHCJHANZKB-NSHDSACASA-N 286.339 1.356 0 50 CDAA Cc1cc(C(=O)O)nc(N(C)CC[C@@H]2CCCCO2)n1 1529178481 MMZZRTDBJKJVQK-NSHDSACASA-N 279.340 1.879 0 50 CDAA Cc1cc(Br)ccc1C[C@@H](N)C(=O)O 215783958 XNWPJVXADOXWOV-SECBINFHSA-N 258.115 1.712 0 50 CDAA CN(CCN(C)C1CC1)C(=O)CCc1ccon1 408517659 LWBXBEODAFPEAO-UHFFFAOYSA-N 251.330 1.160 0 50 CDAA Cc1ccc(CN2CC[C@H](O)[C@H](CO)C2)cc1Cl 335631569 CCUHCNHJABQPQG-JSGCOSHPSA-N 269.772 1.824 0 50 CDAA FC(F)(F)n1cc(-c2cn(Cc3cc[nH]n3)nn2)cn1 1875357851 YZUAAFYFTLJDRN-UHFFFAOYSA-N 283.217 1.389 0 50 CDAA Cc1cccc(N(C)S(=O)(=O)c2cccnc2)n1 137274149 YVPSQSRKELCKDD-UHFFFAOYSA-N 263.322 1.610 0 50 CDAA OCc1csc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 1704311886 VZEFFYXKUSAHIJ-YPMHNXCESA-N 291.376 1.070 0 50 CDAA COc1ccc(C(=O)N[C@]2(C)CCOC2)c(OC)c1 156604305 VUMNTJVEUWPOHP-CQSZACIVSA-N 265.309 1.613 0 50 CDAA Cc1ncc(C(=O)N2CCC(CC(=O)O)CC2)c(C)n1 263234895 DIRMKWAQUXHYRK-UHFFFAOYSA-N 277.324 1.420 0 50 CDAA CC(C)CCN1CCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H]2C1 14530300 FXFSYSCEXJFKIM-ZIAGYGMSSA-N 295.427 1.090 0 50 CDAA O=C1c2ccccc2[C@@]2(c3ccc(O)cc3)NCCN12 19862162 ZSGOJSHPDXCFJZ-INIZCTEOSA-N 266.300 1.652 0 50 CDAA COc1ccnc(CNC(=O)[C@H]2C[C@H]3C[C@@H](N)[C@H]3C2)c1F 1857533031 LOKHIXHBMHYMGR-XWLWVQCSSA-N 293.342 1.219 0 50 CDAA O=C(Cc1ccc(O)cc1Cl)N1C[C@@H]2CC[C@H](O)[C@H]2C1 408186807 JMNQPBCWISNZHL-JKOKRWQUSA-N 295.766 1.817 0 50 CDAA CN(C)CC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709982389 POHWOIZIHURGRI-GJZGRUSLSA-N 292.379 1.039 0 50 CDAA CN(C(=O)c1ccccc1)[C@@]1(C)CCS(=O)(=O)C1 4196267 ZALNPEYMWWLORG-ZDUSSCGKSA-N 267.350 1.336 0 50 CDAA CCc1cc(O)nc(CN(C[C@@H]2CCCN2)C2CC2)n1 328607775 XBAUEWSRGXOOHJ-LBPRGKRZSA-N 276.384 1.461 0 50 CDAA Cc1cccnc1CCNC(=O)N1C[C@@H](F)C[C@H]1CO 459016778 YFXGEQPUFPYYCD-RYUDHWBXSA-N 281.331 1.047 0 50 CDAA O=C(NCCCn1ccnn1)N1CCC[C@H]1[C@@H]1CCCO1 252480237 BYTSMYZWLCCQCX-STQMWFEESA-N 293.371 1.021 0 50 CDAA CCn1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cn1 252586083 NJEYWMWCUAWWSF-RTXFEEFZSA-N 291.351 1.761 0 50 CDAA COc1ccccc1NC(=S)N1CCOCC1 8830292 QGDUMRUJGHBCRR-UHFFFAOYSA-N 252.339 1.724 0 50 CDAA COC(=O)NCc1cccc(CN2CCOCC2)c1 918623558 YOEIBTMEWRIEMN-UHFFFAOYSA-N 264.325 1.375 0 50 CDAA C=CC(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 820437454 KFDCWQMGWSBZTQ-JTQLQIEISA-N 278.739 1.995 0 50 CDAA COc1ccc2[nH]c(=O)c(C(=O)NC3CC3)cc2c1 1858202907 VYSICRZVNZLERM-UHFFFAOYSA-N 258.277 1.429 0 50 CDAA Nc1c[nH]nc1[C@@H]1CCN(C(=O)CCc2ccoc2)C1 864384152 IBYVIAQGYVOLKZ-LLVKDONJSA-N 274.324 1.534 0 50 CDAA Cc1cnn(CCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c1 952890899 MUBPBDAJFQZMLV-LLVKDONJSA-N 288.355 1.020 0 50 CDAA Cc1ccc(CNS(=O)(=O)C[C@]2(C)COCCO2)cc1 1875276348 MIJNVTNVTPNARG-AWEZNQCLSA-N 299.392 1.220 0 50 CDAA CCn1nnc2c(N3CCC(C4(C)N=N4)CC3)ncnc21 1875279044 YITSWPXEKUHDRO-UHFFFAOYSA-N 286.343 1.640 0 50 CDAA Cc1nncc(CNC(=O)c2cc(O)nc(C3CC3)n2)c1C 1875268744 WSIZVEUJMNBWNZ-UHFFFAOYSA-N 299.334 1.396 0 50 CDAA Oc1cc(N2CC[C@@H](Nc3ncccn3)C2)c(Cl)nn1 1875269421 VZQPCLKSHARMNB-MRVPVSSYSA-N 292.730 1.316 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)OC1CC2(COC2)C1 1875318951 NGZULIILHFNEQU-GHMZBOCLSA-N 297.351 1.622 0 50 CDAA CC(=O)N1C[C@H](N[C@@H]2CCOC2)CC[C@@H]1C(F)(F)F 886065800 VJBGEHPQNWBAPH-GMTAPVOTSA-N 280.290 1.307 0 50 CDAA CC[C@H]1C(=O)NCCCN1C(=O)COc1ccccc1 886516271 ZYZBTPUKIJRJHZ-ZDUSSCGKSA-N 276.336 1.193 0 50 CDAA Cc1ccc(C(=O)NC2(c3ncccn3)CCOCC2)o1 886935148 ZUVOJDUNGIJCFL-UHFFFAOYSA-N 287.319 1.814 0 50 CDAA CCS(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 19520365 VXSAITPIWUKEEO-UHFFFAOYSA-N 286.372 1.293 0 50 CDAA Cc1nc2c([nH]1)C[C@H](Nc1nccn3cnnc13)CC2 1775985760 ISBYGNLRTRBJOJ-SECBINFHSA-N 269.312 1.125 0 50 CDAA N[C@@]12CCC[C@H]1CN(C(=O)c1n[nH]cc1C(F)(F)F)C2 1775961069 GPUUGKPYEBADAX-WRWORJQWSA-N 288.273 1.382 0 50 CDAA Oc1nncc(-n2cc(C3CCC3)nn2)c1Br 899714795 XYTLYGMLOHSEGY-UHFFFAOYSA-N 296.128 1.793 0 50 CDAA COC(=O)c1cn2ccc(Br)cc2n1 38538064 UJDPPXFYVNORQM-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro Cc1cccc(OCC(=O)N2CCC3(CC2)OCCO3)c1 13331463 ROKWDHFEAPHMON-UHFFFAOYSA-N 291.347 1.739 0 50 CDAA CCCN1CCN(CC(=O)Nc2ccccc2C)CC1 20595181 YPLOLIBZVYYSRY-UHFFFAOYSA-N 275.396 1.961 0 50 CDAA O=S(=O)(c1ccco1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253396126 KQUSWGKOJIVDLJ-XQQFMLRXSA-N 299.392 1.984 0 50 CDAA CC1(C)CNCC[C@H]1NC(=O)COc1ccccc1 261569593 MXJVOMULBYYHIP-CYBMUJFWSA-N 262.353 1.570 0 50 CDAA C[C@](O)(CN1CCC[C@@H](Cn2cncn2)C1)C(F)(F)F 330381080 HZPKBOCXSDMPLO-MNOVXSKESA-N 292.305 1.303 0 50 CDAA CCc1nc(C)c(C(=O)N2CCCC[C@@H]2C(=O)O)o1 426493124 GHCQZYFYGZXQOM-SECBINFHSA-N 266.297 1.625 0 50 CDAA C1COC2(CCN(C3CSCCSC3)CC2)CN1 426563263 JLDIJNSJNUYMQE-UHFFFAOYSA-N 288.482 1.289 0 50 CDAA N[C@@H]1CCCCCN(C(=O)c2cccc(C(=O)O)c2)C1 630575778 RBPCCJVLOVHLTD-CYBMUJFWSA-N 276.336 1.728 0 50 CDAA COc1cc(-c2nc([C@H]3CCOC3)no2)ccc1O 87810147 AFJFQSOAXOBYOL-VIFPVBQESA-N 262.265 1.955 0 50 CDAA COC1(CC(=O)N2C[C@@H]3CCC[C@@]3(N)C2)CCC1 638442132 OYBBGSSQDIWSLF-SMDDNHRTSA-N 252.358 1.285 0 50 CDAA CCc1cnc(N)nc1N(C)Cc1ccnc(C)c1 95389490 DPSUETHETXWCBF-UHFFFAOYSA-N 257.341 1.961 0 50 CDAA O=C1CCOCCN1Cc1ccc2ccccc2n1 95517331 PSHLGJGLQCECLB-UHFFFAOYSA-N 256.305 1.984 0 50 CDAA CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C(=O)O)CCC[C@@H]12 711654906 RAQNJKWNUIMHAJ-RULNRJAQSA-N 251.326 1.888 0 50 CDAA Cc1cc(N[C@@H]2CCCN(CCO)C2)ncc1[N+](=O)[O-] 384793371 XBWAENWYVOZASZ-LLVKDONJSA-N 280.328 1.167 0 50 CDAA COc1cc2c(cc1-c1ncccc1CN)OCO2 2100557439 SLXBDHKTRCFNGP-UHFFFAOYSA-N 258.277 1.945 0 50 CDAA CNC(=O)[C@H](Cc1ccccc1)N1CCCOC1=O 2325718812 INTMADREYKJHIY-LBPRGKRZSA-N 262.309 1.186 0 50 CDAA O=C(C=C1CCSCC1)N[C@H](c1nn[nH]n1)C1CC1 2325806758 FFJLWQVXDFHBFP-NSHDSACASA-N 279.369 1.220 0 50 CDAA O=C(O)C1(c2ccccc2F)CCS(=O)(=O)CC1 2325712078 FYWARUVIRKRCPA-UHFFFAOYSA-N 272.297 1.357 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccs1 73688 QNVORVWQLRXPIA-VIFPVBQESA-N 252.295 1.549 0 50 CDAA O=S(=O)(c1ccc(F)cc1)n1nnc2ccccc21 2897605 FZTODLITAXMGTD-UHFFFAOYSA-N 277.280 1.807 0 50 CDAA CCCCNC(=O)N(O)[C@H]1N(N)C(=S)SC1(C)C 3876660 HHZDJSJXPGMNID-SSDOTTSWSA-N 292.430 1.499 0 50 CDAA CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)O 4262491 CEIWXEQZZZHLDM-WCQYABFASA-N 279.336 1.614 0 50 CDAA in-vitro CC(=O)N1CCN(C(=S)c2ccc(O)cc2)CC1 4387595 UAQQOIPUAQBDDN-UHFFFAOYSA-N 264.350 1.232 0 50 CDAA Cc1nc(NC(=O)N2CCC[C@@](C)(CO)C2)nn1C(C)C 55393523 MGGVGIAXGBRAMI-CQSZACIVSA-N 295.387 1.794 0 50 CDAA C[C@@H](Sc1nc(O)c2ccccc2n1)C(=O)O 8752232 VYCHQMHTSPQPMW-ZCFIWIBFSA-N 250.279 1.901 0 50 CDAA CC[C@@H](C)NC[C@@H](O)COc1ccccc1OC 8844748 VXJQVAMMFVYRJF-VXGBXAGGSA-N 253.342 1.823 0 50 CDAA COCc1cc(-c2nc(-c3ccc(OC)nc3)no2)no1 225428633 ZMXTVRAAZPTPLQ-UHFFFAOYSA-N 288.263 1.942 0 50 CDAA Nc1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 20204055 PCHWOYGFCZQXON-SSDOTTSWSA-N 278.312 1.780 0 50 CDAA COC(=O)c1nnsc1NC(=O)c1ccco1 20746071 BESWZQKLOZBTDU-UHFFFAOYSA-N 253.239 1.170 0 50 CDAA O=C(CNC(=O)c1ccccc1)Nc1cnc2n1CCCC2 67821431 WEGQKCNGEGKEHT-UHFFFAOYSA-N 298.346 1.588 0 50 CDAA NC[C@H]1Cc2cc(-c3ccnc(N)c3)cc(F)c2O1 67789493 OCKAPYWOAZXUPL-LLVKDONJSA-N 259.284 1.732 0 50 CDAA CCn1ccnc1CN1CCC[C@@H]1[C@H]1CCCN1C(C)=O 247940132 MWQRMJZYCDNCBN-HUUCEWRRSA-N 290.411 1.878 0 50 CDAA CC(=O)Oc1c(C)cc(CN[C@H](C)c2nnn[nH]2)cc1C 65435966 VTYLINRFMPNHNB-SNVBAGLBSA-N 289.339 1.593 0 50 CDAA CN(CCc1cn[nH]c1)C[C@]1(O)CCCN2CCCC[C@@H]21 67790577 PEOVRKUYFQAZKB-HZPDHXFCSA-N 292.427 1.263 0 50 CDAA O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccoc1 350899949 VSFWMAZFFGBOQV-UHFFFAOYSA-N 279.321 1.823 0 50 CDAA CN(C)Cc1ccccc1CNC(=O)N1CC[C@@H](CO)C1 304331967 WPNBXSIVTDDTIO-CYBMUJFWSA-N 291.395 1.272 0 50 CDAA C[C@@H](C(=O)N1CCc2[nH]ncc2C1)N(C)CC(F)(F)F 280854344 LOOHGPJDYSVKAP-QMMMGPOBSA-N 290.289 1.177 0 50 CDAA C[C@H](O)CNc1nc2ccccc2n1CCC1OCCO1 120116684 YLVANMZQXAHCTL-NSHDSACASA-N 291.351 1.592 0 50 CDAA C[C@@H]1CNCCN1C(=O)C[C@@H]1OCCc2ccccc21 124615647 IQAVOOPKGCYWIG-DOMZBBRYSA-N 274.364 1.511 0 50 CDAA COc1cnc(N2CCC[C@H](c3ncc[nH]3)C2)nc1 77440935 DJYYZGYQARKWNC-JTQLQIEISA-N 259.313 1.592 0 50 CDAA CCc1ccc(CN2CC[C@H](N3CCN(C)CC3)C2)nc1 215485660 ROESBPAAMSFGEH-KRWDZBQOSA-N 288.439 1.466 0 50 CDAA Cc1cccn2cc(CNC(=O)[C@@H]3CCCO3)nc12 71435397 UDNCQKFWMONYLI-LBPRGKRZSA-N 259.309 1.438 0 50 CDAA CN(Cc1cccc2c1OC(C)(C)C2)C[C@@H]1C[C@@H](O)CN1 328599774 UDCHUIQLRKFZHE-LSDHHAIUSA-N 290.407 1.555 0 50 CDAA CN1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCCCO2)C1 328625835 DOAPFIPXNRBJIN-CABCVRRESA-N 296.411 1.125 0 50 CDAA CN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C[C@@H]1c1ncc[nH]1 328622235 IIBAHDCMCXMYOT-JHJVBQTASA-N 274.368 1.271 0 50 CDAA CC[C@H](NC(=O)CCNC(C)=O)c1nccs1 219212405 FEHYEBXMNRMECY-VIFPVBQESA-N 255.343 1.237 0 50 CDAA Cc1cn(C)nc1C(=O)NC[C@H]1Cc2ccccc2O1 336279084 CEGTUDKKJCBGCI-GFCCVEGCSA-N 271.320 1.462 0 50 CDAA CCn1cc(S(=O)(=O)N2C[C@H]3CC=C(C)C[C@H]3C2)cn1 72137174 GFMOMRQGAIAMIA-OLZOCXBDSA-N 295.408 1.880 0 50 CDAA COc1cccc(OCCN2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 366427474 CMYNTSBMBQKSMX-FICVDOATSA-N 263.337 1.244 0 50 CDAA COCC[C@H]1COCCN1C(=O)c1ccc2cc[nH]c2n1 332575395 FURFBQJRNHKLHB-LBPRGKRZSA-N 289.335 1.440 0 50 CDAA O=C(CC[C@H]1CCOC1)N1CCC12CCC(CO)CC2 370660209 WWKZEKCZHMGZBO-BBBYJDLNSA-N 281.396 1.957 0 50 CDAA CC(C)(C)c1cc(Cn2nnnc2C2CCOCC2)no1 333142844 COCNRZTYKSHMJP-UHFFFAOYSA-N 291.355 1.901 0 50 CDAA Cc1noc(C)c1CNC(=O)c1csc(CN(C)C)n1 71419450 DWLKWICFRGWIDZ-UHFFFAOYSA-N 294.380 1.740 0 50 CDAA N[C@@H]1CCCC[C@H]1NC(=O)c1cccnc1Cl 79440099 FQRIPXUPVIYTSF-NXEZZACHSA-N 253.733 1.735 0 50 CDAA Cc1cc(C)nc(CCNC(=O)c2[nH]nc(N)c2Cl)n1 215985019 MQDZEEULOYSUBM-UHFFFAOYSA-N 294.746 1.025 0 50 CDAA CN(C)C/C=C/C(=O)N(C)C[C@]1(O)CCc2ccccc21 493142314 WCDUJTRXGHNZMB-RCMYXZNBSA-N 288.391 1.397 0 50 CDAA CN1CCO[C@H](CN(Cc2ccn(C)c2)CC2CC2)C1 240551680 GVINKPVOKALXFQ-INIZCTEOSA-N 277.412 1.568 0 50 CDAA COc1cccc([C@@H]2C[C@@H](O)CN2CC(=O)NC2CC2)c1 282411643 YGPMJQVLUPNBRQ-HIFRSBDPSA-N 290.363 1.082 0 50 CDAA O=C(NCCOC1CCCCCC1)[C@H]1CCNC1 238132720 JVKJOGYARRMIFG-LBPRGKRZSA-N 254.374 1.452 0 50 CDAA COC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 43463374 VZUALASVNJKBOL-UHFFFAOYSA-N 272.345 1.102 0 50 CDAA CC(C)c1nnc(N2CCC[C@@H]2C(=O)NC2CC2)s1 134895780 ACZNPERADUWTFQ-SNVBAGLBSA-N 280.397 1.909 0 50 CDAA CCOC(C)(C)C(=O)N[C@@H](CC)Cn1ccnc1 223234101 JYVKOACZSUQSMS-NSHDSACASA-N 253.346 1.593 0 50 CDAA CCn1ncc(NC(=O)Cn2cnc(-c3ccccc3)c2)n1 48441270 KTDBODVJLQECFL-UHFFFAOYSA-N 296.334 1.800 0 50 CDAA CSc1ncc(C(=O)NCCc2c(C)n[nH]c2C)cn1 221325642 NRINPWVZCYAYLY-UHFFFAOYSA-N 291.380 1.511 0 50 CDAA Cn1ncc2c(NCC3([S@](C)=O)CC3)ccnc21 286543306 TVCGXXNULQSKMI-SFHVURJKSA-N 264.354 1.291 0 50 CDAA Cc1ccn2c(C(=O)NCc3cc(F)ccc3C)nnc2n1 426421064 FOUUIQSHKMXLES-UHFFFAOYSA-N 299.309 1.810 0 50 CDAA CC(C)CC(C)(C)C(=O)N1CCO[C@H](C(=O)O)C1 178281415 FCOOVYIXSOFVCU-JTQLQIEISA-N 257.330 1.371 0 50 CDAA Cc1cc(Br)cc(C)c1OCC(N)=O 226241268 UCYLDZDKYLKXMX-UHFFFAOYSA-N 258.115 1.930 0 50 CDAA CCO[C@H](C)C(=O)NCc1ccc2c(c1)nc(C)n2C 426378278 WCTMIEAYSLXCAT-SNVBAGLBSA-N 275.352 1.923 0 50 CDAA C[C@@H](C(=O)NCC1(Cn2cccn2)CC1)n1cccn1 426571839 UOEACYWNAZJUOH-LBPRGKRZSA-N 273.340 1.237 0 50 CDAA Cc1nc([C@@H](C)N(C)C(=O)Cc2nc(O)n[nH]2)c(C)s1 426551077 HXTSJHAJWVZJAV-ZCFIWIBFSA-N 295.368 1.346 0 50 CDAA Cc1nc(-c2cc3cc(F)ccc3n2C)n(CCO)n1 96138083 PLAOSVZMFWIZBJ-UHFFFAOYSA-N 274.299 1.877 0 50 CDAA Cc1cc(C)n(C2CN(Cc3cccc(C(=O)O)n3)C2)n1 97570842 UYCMUZQWLWYDKM-UHFFFAOYSA-N 286.335 1.650 0 50 CDAA CC(C)(C)n1ccc(C(=O)NC2(C(=O)O)CC2)c1 426662033 BIHHTZNMPIDNLA-UHFFFAOYSA-N 250.298 1.590 0 50 CDAA CC(C)OCCN=c1cc([C@@H]2CCOC2)nc[nH]1 426484925 WGYMKDZLGHOODS-LLVKDONJSA-N 251.330 1.239 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)NCCc2cscn2)CC1=O 92028965 TVBNLHCCYTVFFV-SNVBAGLBSA-N 295.408 1.449 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)[C@H]1CCNC1 237252569 OICPMNVTQFSUFF-NSHDSACASA-N 272.352 1.141 0 50 CDAA C1CCc2nnc(-c3nc([C@H]4CCOC4)no3)n2CC1 96139069 LLLYOANXGOGZTK-VIFPVBQESA-N 275.312 1.558 0 50 CDAA O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1ccccc1 238997472 AIKBGOLKCFZIGN-MCIONIFRSA-N 287.363 1.414 0 50 CDAA CN(C[C@@H]1Cc2ccccc2CN1C)c1ccncn1 91876925 YBYZTHMPAVXXHO-HNNXBMFYSA-N 268.364 1.970 0 50 CDAA OC[C@@H](O)CN1CCC(c2nccn2CC2CCC2)CC1 91441132 URAHHGMDFVOUTR-HNNXBMFYSA-N 293.411 1.216 0 50 CDAA C[C@H](NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccncc1 235497672 JYUHZEVRAUKQCN-QXALJWCJSA-N 286.331 1.782 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CCNC2)c2ccc(F)cc2O1 237619818 HPKOTKSKQUZOOM-ZJUUUORDSA-N 264.300 1.549 0 50 CDAA Cc1cc(C)nc(CN(C)CC(=O)NC[C@@H]2CCCO2)c1 244778765 PWCZMAZFOUACGS-HNNXBMFYSA-N 291.395 1.425 0 50 CDAA O=C1[C@H]2[C@@H]3[C@H]4[C@H]1[C@H]1C[C@@H]5[C@H]6[C@@H]7C(=O)[C@H]([C@H]3[C@@H]7[C@@H]4[C@H]16)[C@@H]25 247704956 CUIHIIZJTFROOO-RQRXTNDSSA-N 252.313 1.250 0 50 CDAA CC[C@H](C(=O)NCC1(COC)CC1)n1cccn1 534584471 FILVHGSEDQZMAQ-LLVKDONJSA-N 251.330 1.377 0 50 CDAA Cc1ccn2nc(C(=O)NCCc3nccn3C)cc2c1 534661218 XPLXNCJAOIRSSK-UHFFFAOYSA-N 283.335 1.349 0 50 CDAA COCC1(CN[C@H](C)Cn2nc(C)cc2C)CC1 534579030 XRDPYLPZYJSDLA-GFCCVEGCSA-N 251.374 1.905 0 50 CDAA CC(C)(C)NC(=O)Cn1cnc(-c2nccs2)n1 283562984 PIGMAYVEGOJCLF-UHFFFAOYSA-N 265.342 1.316 0 50 CDAA CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C1CCCCC1 642111927 ATTGRSFIJSWFJS-NSHDSACASA-N 281.356 1.156 0 50 CDAA CCCn1cc(NC(=O)NCCn2ccnc2CC)nn1 299786378 LFYDEYCKBRPWDJ-UHFFFAOYSA-N 291.359 1.269 0 50 CDAA C[C@H](Cn1cncn1)C(=O)NC1CCCCCC1 820628333 VMPYCTGVZVNTMK-LLVKDONJSA-N 250.346 1.753 0 50 CDAA OC[C@H]1CCCCN1CCCN=c1cc[nH]cc1F 828710957 RHYCFMJWYUEHTG-GFCCVEGCSA-N 267.348 1.291 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1ccncc1F 822636567 CGFFFJDPQHIVBQ-SNVBAGLBSA-N 262.288 1.626 0 50 CDAA Cc1nc2cc(CNC(=O)[C@@H]3C=CCN3)ccc2n1C 827690935 QNJXPTNXAIYLEZ-LBPRGKRZSA-N 270.336 1.026 0 50 CDAA COc1cccc([C@@H]2CC(=O)Nc3nc(N)nc(N)c32)c1 670416184 WOUUHTAACCQGHY-VIFPVBQESA-N 285.307 1.124 0 50 CDAA NC(=O)c1ccc(NC(=O)[C@H]2Cc3cccnc3C2)cc1 1434847760 IZAZYXVNOFGBFN-LBPRGKRZSA-N 281.315 1.534 0 50 CDAA CCOC(=O)C(=O)Nc1c(OC)cccc1OC 953019017 MNJYUFOVLPVHFN-UHFFFAOYSA-N 253.254 1.205 0 50 CDAA O=C(O)C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1 1565524261 CRFUGFJQZIIXAM-VIFPVBQESA-N 266.688 1.585 0 50 CDAA COC[C@H]1CN(Cc2nnc(C)o2)CC(C)(C)O1 408031961 QTXLKABSEDNTCJ-SNVBAGLBSA-N 255.318 1.004 0 50 CDAA C[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1C(N)=O 408473916 RUYZJNVIBNWHFB-ZWNOBZJWSA-N 266.316 1.258 0 50 CDAA O=C(CCc1ncccn1)N1CCOC2(CCCCC2)C1 408516943 NEDXJOVFYJDLLL-UHFFFAOYSA-N 289.379 1.971 0 50 CDAA CC(C)c1ncncc1C(=O)N1CCC[C@H]([C@H](C)N)C1 269297200 WHURRLBBLNNPOI-RYUDHWBXSA-N 276.384 1.799 0 50 CDAA CC[C@@H]1C[C@@H](NC[C@H](n2cncn2)C(F)(F)F)CCO1 631209122 AYIQRISYRMVBIR-AXFHLTTASA-N 292.305 1.929 0 50 CDAA O=C(Cn1ccnc1[C@@H](O)c1ccco1)NC1CCCC1 170086424 UGKOLOYAKXJXEW-AWEZNQCLSA-N 289.335 1.617 0 50 CDAA CC(C)Nc1ccc(C(=O)N2CCC[C@@H]2CO)cn1 170090079 BMSPAWAKPAPLQB-GFCCVEGCSA-N 263.341 1.499 0 50 CDAA CC(=O)NCCNC1CCN(Cc2cccc(F)c2)CC1 170087209 RANZCABVSXQADK-UHFFFAOYSA-N 293.386 1.516 0 50 CDAA NC(=O)c1cc(N2CCC(NCC3CC3)CC2)ccn1 133690797 YNRWWEDUTBYXNR-UHFFFAOYSA-N 274.368 1.149 0 50 CDAA O=C(NCc1nnc(S)n1C1CC1)[C@H]1C[C@@H]1C1CCC1 170653244 YCUIVGSBRTZBKZ-MNOVXSKESA-N 292.408 1.954 0 50 CDAA Cc1csc2ncnc(NC[C@H]3CN(C)CCO3)c12 665696147 JNSGIPZMPLNEPK-JTQLQIEISA-N 278.381 1.742 0 50 CDAA CCc1nc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)n[nH]1 189324871 IZIMJLIJKNPCLP-VHSXEESVSA-N 292.343 1.021 0 50 CDAA CC(C)n1ncnc1CN1CCC[C@@H](CC(N)=O)CC1 671510366 XVEKTOQATCFUDB-GFCCVEGCSA-N 279.388 1.337 0 50 CDAA Cc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cnc2ccccc12 580325978 AEQKUFKYQBMKNM-HOTGVXAUSA-N 299.374 1.290 0 50 CDAA CC(C)(C)c1nnc(CN2CC[C@](F)(CO)C2)o1 585080561 CGCMIOCCXVIPRP-GFCCVEGCSA-N 257.309 1.273 0 50 CDAA COC(=O)c1ccc(CN(C)C(=O)[C@H](C)CSC)nc1 585130121 INJDHSITDNSSAW-SNVBAGLBSA-N 296.392 1.826 0 50 CDAA COc1ccnc(C(=O)N[C@@](C)(CC(=O)O)C(C)C)c1 648341440 CMAGWXBZKLLIIX-AWEZNQCLSA-N 280.324 1.709 0 50 CDAA Cc1ccc(CNc2nccc(CO)n2)c(N2CCCC2)n1 681010091 FNZLCVXXQCNTAR-UHFFFAOYSA-N 299.378 1.885 0 50 CDAA CC(C)c1nnc(NC(=O)Cc2cnn(C)c2)s1 195244053 JPXZWQLSNUDSLZ-UHFFFAOYSA-N 265.342 1.576 0 50 CDAA O=C(O)c1cc2cc(Br)cn2c(O)n1 1775955869 PJWWICIJFOWYAP-UHFFFAOYSA-N 257.043 1.501 0 50 CDAA CN(CCNC(=O)C(F)(F)[C@@H](O)c1ccccc1)C1CC1 1615586187 KGWZCMUAEQOXBZ-ZDUSSCGKSA-N 298.333 1.566 0 50 CDAA c1ccc(CCCn2nnnc2N2CCCOCC2)cc1 1616033107 LMCOJAYPVKJSNV-UHFFFAOYSA-N 287.367 1.533 0 50 CDAA CC(=O)NC(C)(C)C[C@@H](C)NCCc1ncc[nH]1 1506400966 AZQGSFUNUFFBQJ-SNVBAGLBSA-N 252.362 1.235 0 50 CDAA CCOCCC(=O)Nc1nnc([C@H](C)OC)s1 1506415193 VODCARYLEYDMNW-ZETCQYMHSA-N 259.331 1.611 0 50 CDAA CCCC[C@H]1C=CCN1C(=O)CCCS(N)(=O)=O 1506409305 OSLZGKJWOHDRKO-NSHDSACASA-N 274.386 1.012 0 50 CDAA CCN1CCCN(c2cccc(C(=O)N(C)C)n2)CC1 1506404251 YUFLHYKCOVKDJX-UHFFFAOYSA-N 276.384 1.315 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)NCCCC(F)(F)F)O1 222763283 JMOGLGWDVHGOHP-RQJHMYQMSA-N 269.219 1.077 0 50 CDAA COc1cnc(N(C)CC[C@@H]2CCCCO2)nc1 1529120987 WZGPLDQFWCHBQS-NSHDSACASA-N 251.330 1.881 0 50 CDAA Cc1nc2cc(-c3cnn(CC(N)=O)c3)ccc2s1 1875248561 XUOMVSPGGFTATN-UHFFFAOYSA-N 272.333 1.954 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)C1(C)C 408355103 LAHUQUPODKAEIF-QRIDJOKKSA-N 255.314 1.027 0 50 CDAA CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccc1 2831163 JMPACVXIPGIERA-UHFFFAOYSA-N 284.381 1.222 0 50 CDAA C=CC(=O)NCCN1CCc2c(Cl)cccc2C1=O 1875367344 FZOMHTDKXRJXSH-UHFFFAOYSA-N 278.739 1.641 0 50 CDAA CSCC[C@H]1NC(=O)c2ccccc2NC1=O 20403468 CAUGDXQJTRCWPS-SNVBAGLBSA-N 250.323 1.490 0 50 CDAA in-vitro 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LCIRGNVSISUXPW-ZDUSSCGKSA-N 282.771 1.538 0 50 CDAA COCc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1 263292294 MJQFVQGBCPFNFA-TXEJJXNPSA-N 263.293 1.426 0 50 CDAA CCc1ccnc(C(=O)N2CC[C@@](C)(C(=O)O)C2)c1 263388081 CYXIBKOWTZEAJO-CQSZACIVSA-N 262.309 1.581 0 50 CDAA COc1cc(C)nc(CN2CC[C@@]3(CNC(=O)C3)C2)c1 278934933 TWRZSRCFLNJCOL-OAHLLOKOSA-N 275.352 1.111 0 50 CDAA COCc1noc(CN(Cc2ccncc2)C2CC2)n1 180196404 CHNGIRRLRJGGKQ-UHFFFAOYSA-N 274.324 1.776 0 50 CDAA COc1ccnc(CN2CC[C@@](F)(CO)C2)c1OC 338596209 VXMLIGKDZZEYLT-ZDUSSCGKSA-N 270.304 1.005 0 50 CDAA O=C(C1CC(OCc2ccccc2)C1)N1CCC[C@H]1CO 363769687 PWRYIQHZRDSNHT-PCKAHOCUSA-N 289.375 1.965 0 50 CDAA O=C(c1ncccc1O)N1CCN([C@H]2CCSC2)CC1 363947202 CBQCTPAPBFBQJB-NSHDSACASA-N 293.392 1.051 0 50 CDAA Cc1nc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)sc1C(=O)O 386785015 MAGXTWJEIIINMO-HRDYMLBCSA-N 296.348 1.333 0 50 CDAA CN1CCCN([C@@H](C(=O)O)c2ccsc2)CC1 823778639 MHRLKWZHBUVTKC-LLVKDONJSA-N 254.355 1.511 0 50 CDAA CC(C)c1cc(CN2CC[C@H](O)[C@H](C(=O)O)C2)on1 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IULHODBFQXTUHS-ZDUSSCGKSA-N 294.420 1.398 0 50 CDAA Cc1ncc(I)cc1C(=O)O 26506938 JGYRUHKDHNZTPA-UHFFFAOYSA-N 263.034 1.693 0 50 CDAA Cc1nc2cc(NC(=O)c3ccn4nnnc4c3)ccc2[nH]1 170625432 NIHNNXYXFYEVJA-UHFFFAOYSA-N 293.290 1.561 0 50 CDAA O=c1[nH]ncc(N2CCCC2)c1-c1ccc2c(c1)OCCO2 67805990 JZODWRDNNNJZNN-UHFFFAOYSA-N 299.330 1.808 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)Cn1ncc2ccccc21 136486103 VESCEOXIKJBWHD-ZDUSSCGKSA-N 287.319 1.502 0 50 CDAA COc1ccc(C(=O)Nc2nc3cnccn3n2)cc1 1438508142 LLILFLOJNSIINH-UHFFFAOYSA-N 269.264 1.385 0 50 CDAA CN(CCO)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67818350 WXWVADZRUVSVPT-UHFFFAOYSA-N 293.298 1.192 0 50 CDAA CCC(=O)NCCC(=O)Nc1ccc(F)cc1C 65363195 ZYGWBKWBRHMGCU-UHFFFAOYSA-N 252.289 1.989 0 50 CDAA Cc1ccccc1CN(CCO)C(=O)[C@H]1CCC[C@@H](O)C1 219772561 RJDHXOILRKRQLM-GOEBONIOSA-N 291.391 1.867 0 50 CDAA C=CC(=O)N(CC)[C@H](c1cccnc1)c1nccn1C 328599172 QFOLUJBHXDHPOT-CQSZACIVSA-N 270.336 1.939 0 50 CDAA COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3C)ccc1O 72115903 FOIHMJNQWATTSY-SNVBAGLBSA-N 287.319 1.917 0 50 CDAA C[C@H]1OCC[C@@H]1C(=O)N(CCCO)Cc1ccccn1 331093603 YNFPDJFPAPESAP-OCCSQVGLSA-N 278.352 1.218 0 50 CDAA COC(=O)[C@H](CNC(=O)CCC1CCCC1)OC 242100029 WDTKCYIJCUMWAF-NSHDSACASA-N 257.330 1.261 0 50 CDAA CCn1ncnc1CN1CCN(C)[C@H](c2ccccc2)C1 216423396 DMNBXKDYZHIONS-HNNXBMFYSA-N 285.395 1.787 0 50 CDAA O=C(Nc1ccc2[nH]cnc2c1)c1ccn2nnnc2c1 218303503 TZDOUKTZWNUFNB-UHFFFAOYSA-N 279.263 1.253 0 50 CDAA CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(N)=O 39326134 FBQFSNRSVLFGLE-LURJTMIESA-N 250.245 1.116 0 50 CDAA COC(=O)c1ccc(OCCN2CCOCC2)cc1 35260722 QNUQDDPNECMPAT-UHFFFAOYSA-N 265.309 1.184 0 50 CDAA COc1ccc(CCCNC(=O)[C@@H](C)N)cc1OC 155866417 DUZBONWJHZLEFU-SNVBAGLBSA-N 266.341 1.100 0 50 CDAA O=S(=O)(Nc1ccc(Cl)nc1)C(F)(F)F 236110966 LMSDXDXBDJNMGJ-UHFFFAOYSA-N 260.624 1.997 0 50 CDAA C[C@@H]1CCCN(C(=O)CCCn2ccnc2)[C@H]1CN 156718121 UTYFDRLWAWCLOX-OLZOCXBDSA-N 264.373 1.249 0 50 CDAA C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cn2cnnn2)C1 172793983 PZIQWSAJPUQZSS-GXFFZTMASA-N 289.314 1.422 0 50 CDAA 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1.038 0 50 CDAA CC(C)N(C)C[C@H](C)C(=O)NCc1csc(N)n1 820636551 BAYQKZGPQQAZAS-VIFPVBQESA-N 270.402 1.318 0 50 CDAA COCCOC1CCN(Cc2nc(C)c(C)n2C)CC1 824445095 URYZUQSNHNKKDF-UHFFFAOYSA-N 281.400 1.664 0 50 CDAA CCCc1cnc(C)nc1NC[C@@H]1CCCN(CCO)C1 823012074 STQLQSWRQLSXRP-AWEZNQCLSA-N 292.427 1.854 0 50 CDAA CN(C[C@@H]1CCCO1)C(=O)CCN1CCCCCC1=O 584890340 MUYWPMKDIMTLNX-ZDUSSCGKSA-N 282.384 1.417 0 50 CDAA O=C(c1ccc(Cn2cccc2)cc1)N1CC[C@@H](CO)C1 584888009 BSFSVBISKVNOBL-OAHLLOKOSA-N 284.359 1.991 0 50 CDAA O=C(OCc1ccccc1)N1CC[C@H](O)[C@H](F)C1 49587254 RKRKELORNFODMN-NEPJUHHUSA-N 253.273 1.728 0 50 CDAA in-vitro COC(=O)[C@@H](N)CCCCNC(=O)OC(C)(C)C 49625432 JZJOGMHGKPNPTO-VIFPVBQESA-N 260.334 1.182 0 50 CDAA in-vitro N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CCC(F)CC1 1551479562 BIDUXDROPWDYKM-ZIAGYGMSSA-N 277.343 1.755 0 50 CDAA O=C(N[C@H]1COc2ccccc2C1)c1ccns1 1541096949 AGHHRODDUZCMSG-SNVBAGLBSA-N 260.318 1.877 0 50 CDAA O=C(O)[C@@]12COC[C@@H]1CN(CC1CCC(F)(F)CC1)C2 1595190999 YWLSLBNASBPNKH-AAEUAGOBSA-N 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Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N1CCCCO1 282950833 AYOYOOVAJYFGSD-LLVKDONJSA-N 294.355 1.873 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)c2ccn(C)n2)o1 335771731 VVIZIEWMKRMWPT-UHFFFAOYSA-N 255.299 1.147 0 50 CDAA CCO[C@H](C)C(=O)Nc1ccc(C(=O)O)c(OC)c1 262874733 GJPUDSNPEAQZSG-MRVPVSSYSA-N 267.281 1.757 0 50 CDAA CC(C)[C@@]1(CO)CCN(c2ncnc(N)c2Cl)C1 377985506 LVULAHXEPYYBCJ-LBPRGKRZSA-N 270.764 1.557 0 50 CDAA CN(CCCc1nccn1C)C(=O)c1cccc(N)n1 221299961 TVEBGOJRAKCSCB-UHFFFAOYSA-N 273.340 1.102 0 50 CDAA NC1CC(c2cc(NCCn3ccnc3)nc(C3CC3)n2)C1 223474105 NOZMCYMBTPZOMO-UHFFFAOYSA-N 298.394 1.867 0 50 CDAA CC(C)[C@@H]1C(=O)NCCN1Cc1ccc(N(C)C)nc1 131464451 BABDPIBNKLCYOH-CQSZACIVSA-N 276.384 1.104 0 50 CDAA C[C@H](C(=O)O)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 263516254 ACKFICRDIYQREF-WDEREUQCSA-N 294.326 1.631 0 50 CDAA CC[C@@H](CO)N1CCN(Cc2cc(CO)ccc2F)CC1 528390834 QRZWPHRRBYFWHN-HNNXBMFYSA-N 296.386 1.207 0 50 CDAA O=C(c1nnc2n1CCCC2)N1Cc2ccccc2[C@@H](O)C1 82096877 SXJHSFLEUFWCKZ-ZDUSSCGKSA-N 298.346 1.304 0 50 CDAA O=C(C[C@@H]1CCCOC1)N1CC(c2ccccn2)C1 426563422 SNJQYXZRRZQJHO-LBPRGKRZSA-N 260.337 1.824 0 50 CDAA CCCOCCNC(=O)N(C)Cc1ccncc1C 426387188 ZXFPZPMVPZVTCW-UHFFFAOYSA-N 265.357 1.958 0 50 CDAA CC(C)(C)OC(=O)N1CC(=O)c2sc(N)nc2C1 141007539 JJMRHHINUOMUSC-UHFFFAOYSA-N 269.326 1.659 0 50 CDAA Cc1cnc([C@H](C)NC(=O)c2c(C)[nH]c(C)cc2=O)[nH]1 426519249 LOKADASSTGEBQS-JTQLQIEISA-N 274.324 1.514 0 50 CDAA CO[C@H]1CCN(C(=O)c2[nH]c(C)c(C(=O)O)c2C)C1 426392727 GBWOCZYSTPOGCP-VIFPVBQESA-N 266.297 1.191 0 50 CDAA Cc1nnsc1CN(C)C(=O)[C@@]1(C)CCCO1 426495559 CPFMNECAGGUABW-LLVKDONJSA-N 255.343 1.374 0 50 CDAA CC1(C)OC(=O)N(Cc2noc([C@H]3CCCO3)n2)C1=O 95500242 HZNRMWWDLNAZDH-SSDOTTSWSA-N 281.268 1.179 0 50 CDAA Cc1ncsc1CCNC(=O)C[C@@H]1CCCOC1 426465241 NWCZNVVLGFCKCI-NSHDSACASA-N 268.382 1.927 0 50 CDAA Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H]1CCOC1 179044811 JSIFBTAHOYERNS-CYBMUJFWSA-N 283.331 1.971 0 50 CDAA Cc1cccc(=O)n1CCC(=O)N1CCSCC1 97098951 UAKPGZRHZKJXHA-UHFFFAOYSA-N 266.366 1.122 0 50 CDAA COC[C@@H](NC(=O)c1ncoc1C1CC1)[C@H]1CCCO1 294260862 NVKNPJPPIICBNS-GHMZBOCLSA-N 280.324 1.476 0 50 CDAA CCc1cc(N[C@H]2CC[C@@H](N)CC2)n2nccc2n1 244773925 PIUVCNPPZGBNER-KLPPZKSPSA-N 259.357 1.974 0 50 CDAA CN(CCn1cccn1)Cc1nnc(-c2cccnc2)o1 244773747 PFQWFYUIAUNDAK-UHFFFAOYSA-N 284.323 1.460 0 50 CDAA NC(=O)[C@H]1CC[C@@H]1C(=O)N=c1cc(-c2cccs2)o[nH]1 622123752 VUUPBFXBSHFNGO-YUMQZZPRSA-N 291.332 1.275 0 50 CDAA CSc1nc2n(n1)C(=O)[C@H](c1ccccc1)C(=O)N2 252495388 OPLZUUQKCVRFGG-MRVPVSSYSA-N 274.305 1.376 0 50 CDAA CN(C)Cc1ccc(NC(=O)Cc2cc[nH]n2)c(F)c1 622703946 HBRDACXPYBHXDQ-UHFFFAOYSA-N 276.315 1.792 0 50 CDAA CN1CCCC[C@@H](CNC(=O)NCC2=CCOCC2)C1 624145143 LTJJKULBWDTLMW-AWEZNQCLSA-N 281.400 1.364 0 50 CDAA COc1ccc(-c2nc(C(=O)O)nn2C)c(OC)c1OC 534671626 WWXPCCJYAVUQRL-UHFFFAOYSA-N 293.279 1.206 0 50 CDAA CCc1ccc(C(=O)NCC2(Cn3cccn3)CC2)[nH]1 534639230 NRCIUINTGMTNGS-UHFFFAOYSA-N 272.352 1.984 0 50 CDAA CCN1C[C@@H](CN(C)C(=O)c2cccnc2C)CC1=O 299799450 GLURFFQBQPJYQB-GFCCVEGCSA-N 275.352 1.330 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)CCc1ccncc1 299785801 MDODJHVXHUXQPR-GFCCVEGCSA-N 287.367 1.893 0 50 CDAA COCC1(CNC(=O)c2cc(O)cc(C(=O)O)c2)CCC1 824346878 IKUDXQGZEKSXLZ-UHFFFAOYSA-N 293.319 1.637 0 50 CDAA C[C@@H]1Cc2cc(NC(=O)C3=NN(C)C(=O)CC3)ccc2O1 822512855 NEZVFQFPUPNWBG-SECBINFHSA-N 287.319 1.557 0 50 CDAA C[C@@H](Cn1cncn1)c1ncnn1-c1cccnc1 822279818 VEQJEETZKSLYEL-JTQLQIEISA-N 255.285 1.058 0 50 CDAA Cc1nonc1CN(C)C[C@@H]1CCN(C(C)C)C1 823719830 KWSPDGIPKOOORS-LBPRGKRZSA-N 252.362 1.540 0 50 CDAA CN(C)CCCOc1ccc(CN2CC[C@@H](CO)C2)cc1 828713505 GCUABCSLARIBDQ-MRXNPFEDSA-N 292.423 1.831 0 50 CDAA COC(C)(C)CCNC(=O)[C@@H]1CCCN1C1CCNCC1 584886886 AHVFVRAFNKQYLB-AWEZNQCLSA-N 297.443 1.134 0 50 CDAA CC(C)N1CCCN([C@@H]2CCNC(=O)CC2)CC1 828305658 RDRNRRMGKXQTCH-ZDUSSCGKSA-N 253.390 1.071 0 50 CDAA CC(C)C1=NO[C@H](C(=O)NCCc2ccncc2)C1 820723155 KNRQXVSFKDSWJR-ZDUSSCGKSA-N 261.325 1.541 0 50 CDAA O=C(CCCN1CCOCC1)N1CCC2(CCCC2)C1 584888884 HZLRHISBPGLBGA-UHFFFAOYSA-N 280.412 1.892 0 50 CDAA CNC(=O)C[C@H]1CCN(CCCOc2ccccc2)C1 670459178 IJYFQMRQPFBFCC-CQSZACIVSA-N 276.380 1.914 0 50 CDAA O=S(=O)(c1ccccc1Br)N1CC1 757186975 HUSSFYWLSKHBIF-UHFFFAOYSA-N 262.128 1.453 0 50 CDAA c1cn(-c2cc(NCc3cnn4c3CCCC4)ncn2)cn1 1336735462 BFAJABYHYKRWAB-UHFFFAOYSA-N 295.350 1.807 0 50 CDAA Cn1cc(C(=O)Nc2cccnc2C2CC2)ccc1=O 1333612915 YZIIKWMRCNMFEF-UHFFFAOYSA-N 269.304 1.910 0 50 CDAA COC(=O)c1cc(O)cc(I)c1 51951733 PAVBUMACMQHDPH-UHFFFAOYSA-N 278.045 1.783 0 50 CDAA in-vitro CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc[nH]c2C)C1 1548973000 CJQACLNZYPRMNS-ZYHUDNBSSA-N 274.324 1.648 0 50 CDAA COCCCN1CCC[C@@H](CNC(=O)c2ccoc2)C1 952988465 QJVQDZNHBVXHPZ-ZDUSSCGKSA-N 280.368 1.758 0 50 CDAA Cc1c(C(=O)NCC(=O)C2CC2)sc2nccn12 272836987 GLCUTPMICZDLHY-UHFFFAOYSA-N 263.322 1.413 0 50 CDAA CCOC(=O)c1cnn2ccc(Br)nc12 98179979 GLGUBYKOBKOKHR-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA in-vitro CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1O[C@H](C)C[C@H]1C 408053008 NGVFMYKTGQZUDD-GUIRCDHDSA-N 296.411 1.707 0 50 CDAA CC[C@@H]1C[C@H](CC(=O)N[C@H]2C[C@@H](O)C2(C)C)CCO1 408377407 WTQUHLLUOKTVNJ-FVCCEPFGSA-N 269.385 1.857 0 50 CDAA CCc1cc(C(=O)NC[C@H]2CCc3nccn3C2)[nH]n1 276175063 GRHKJEJOBWZOMW-SNVBAGLBSA-N 273.340 1.161 0 50 CDAA C[C@H](CCc1ccccc1F)C(=O)NCC(=O)O 170043794 WMVANNYNRJWLJD-SECBINFHSA-N 253.273 1.595 0 50 CDAA COCC[S@](=O)CC(=O)N(C)[C@H]1CCCC[C@H]1C 170667574 QAFUHJKXMQRRBA-SOZUMNATSA-N 275.414 1.419 0 50 CDAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCCc2n[nH]cc21 575743072 ONAVRZCSARRBAU-UHFFFAOYSA-N 299.256 1.755 0 50 CDAA O=S(=O)(NCC1CCC1)c1c[nH]nc1C(F)(F)F 631734248 DTQJMZCMCLMSOG-UHFFFAOYSA-N 283.275 1.507 0 50 CDAA CCC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CNCCO1 187889397 QLBCFSIRLMEIKJ-JKSUJKDBSA-N 290.407 1.893 0 50 CDAA CCN(CC)Cc1csc(NC(=O)c2ccn(C)n2)n1 584906670 MLBAIDQYPIBVQY-UHFFFAOYSA-N 293.396 1.971 0 50 CDAA O=C(NC[C@H](O)c1ccc(F)cc1)[C@@H]1C[C@H]2C=C[C@H]1NC2 585136720 QIPUUXVPUBTHIC-QZKOUSHUSA-N 290.338 1.139 0 50 CDAA O=C(NCc1cccc2c1OCO2)C1CCOCC1 194594155 LCYSHAGDPRIIBO-UHFFFAOYSA-N 263.293 1.458 0 50 CDAA COc1ccnc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)c1 683300407 QOCCJEOPBFUWBC-LLVKDONJSA-N 290.319 1.417 0 50 CDAA CCOC(=O)[C@@]1(C(C)C)CCN(Cc2nccn2C)C1 194874045 KAYURZQWTIVROX-HNNXBMFYSA-N 279.384 1.831 0 50 CDAA N[C@H]1CCCN(C(=O)CCCOc2ccc(F)cc2)C1 195116653 RFPAZQGLQJRQPZ-ZDUSSCGKSA-N 280.343 1.934 0 50 CDAA COCCN(CC(C)C)c1cc(-n2ccnc2)ncn1 195544185 BHLYNOKVUQLRNE-UHFFFAOYSA-N 275.356 1.771 0 50 CDAA Cc1nccc(N2CCN(c3ccnc(C)n3)CC(C)C2)n1 569796582 VHGUPRHMMKNZKA-UHFFFAOYSA-N 298.394 1.846 0 50 CDAA O[C@@H]1C[C@H](NCc2ccc3ncccc3c2)[C@H]1n1cccn1 657514656 KCIFLAIWFQVOMC-GVDBMIGSSA-N 294.358 1.895 0 50 CDAA Cn1ncc(Cl)c1C(=O)NC1CCC(C(=O)O)CC1 659130582 KOWDPROETVYFAB-UHFFFAOYSA-N 285.731 1.447 0 50 CDAA Cc1cc(B(O)OC(C)(C)C(C)(C)O)cc(C)c1N 200317383 IQUFSQKPXHXUKV-UHFFFAOYSA-N 265.162 1.139 0 50 CDAA COCCN1C[C@H](CN=c2cc[nH]c3ccccc23)CC1=O 1506406857 KBXVMPYPFZECIK-ZDUSSCGKSA-N 299.374 1.564 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)c2cncn2C)s1 1506395867 ONEVJLHAFSQUJZ-ZCFIWIBFSA-N 267.314 1.231 0 50 CDAA CC(C)(CN1CCCC1)CN1C[C@@H]2CCOC[C@]2(CO)C1 1857669254 RJMPFFZLHCDBNL-DOTOQJQBSA-N 296.455 1.439 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)N(C)CC1(O)CCOCC1 408383117 GKWFDZPJISYWDB-QWHCGFSZSA-N 285.384 1.192 0 50 CDAA C[C@H](Sc1ccc(Cl)cn1)C(=O)N1CCNC1=O 119788380 FZNQPBROQRWZBB-ZETCQYMHSA-N 285.756 1.767 0 50 CDAA O=C(Cn1ncsc1=O)N1CCC[C@H](C(F)(F)F)C1 135471965 HZGUWAFLGRYJJZ-ZETCQYMHSA-N 295.286 1.106 0 50 CDAA O=C1Nc2ncccc2C1(Br)Br 34172530 JHDQERQROBFSSO-UHFFFAOYSA-N 291.930 1.976 0 50 CDAA in-vitro CC[C@H]1CN(c2nnc(COC)o2)CCN1C(C)C 1772703246 KGGBVXOVVXPGBV-NSHDSACASA-N 268.361 1.525 0 50 CDAA CN(C)S(=O)(=O)N1CCO[C@H](CCc2ccccc2)C1 11951582 FJCRASRTAFJFSF-CQSZACIVSA-N 298.408 1.126 0 50 CDAA CN1CCC(N2CCC[C@@H](NC(=O)c3ccco3)C2)CC1 11842608 MOPMUDJVYWNDED-CYBMUJFWSA-N 291.395 1.568 0 50 CDAA COC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccncc1 202873816 OKTJRVKDEASJKX-SNVBAGLBSA-N 266.297 1.820 0 50 CDAA CC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 205041022 FZIUNSSVFCUFKB-LLVKDONJSA-N 256.346 1.770 0 50 CDAA C[C@@H]1CN2C[C@H](NC(=O)/C=C/c3ccccc3)C[C@H]2CO1 1857711652 JKAJVVBRHJSMOZ-ZXQDDJLASA-N 286.375 1.678 0 50 CDAA N=C(O)C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]2CCO)C1 334081056 YSUZDBBOXVMKSD-AVGNSLFASA-N 297.399 1.884 0 50 CDAA CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CC[C@@H](N)C1 237213029 VGRXXYFLSCMJRL-TZMCWYRMSA-N 264.344 1.954 0 50 CDAA Cc1cnn(-c2ccc(C(=O)N3CC[C@H](C(=O)O)C3)cc2)c1 237914565 XFOACEVPPFVNIE-ZDUSSCGKSA-N 299.330 1.727 0 50 CDAA CC(C)C(=O)N[C@H]1CCCN(CCOC[C@H]2CCCO2)C1 245289733 DSVMEOMJTYDWEQ-LSDHHAIUSA-N 298.427 1.419 0 50 CDAA Cc1ccncc1[C@H](C)NC(=O)N1C[C@@H](F)C[C@H]1CO 671612024 XKHZKTYWLDTVGT-SRVKXCTJSA-N 281.331 1.565 0 50 CDAA CCOc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc1F 261849914 BDJMKUVZUKUELH-YGRLFVJLSA-N 296.342 1.218 0 50 CDAA CC[C@@H](C)c1ccc(S(=O)(=O)N2CCNCC2)cc1 34781407 GWJIWGHMZOHUCS-GFCCVEGCSA-N 282.409 1.794 0 50 CDAA in-vitro Cc1nonc1C(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C 265154941 XVJCAVAVCFSVQS-GWCFXTLKSA-N 287.319 1.980 0 50 CDAA CC(C)=CC(=O)N1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 855975764 KRZPGSAXPQVSOS-MWLCHTKSSA-N 265.313 1.633 0 50 CDAA Nc1nc(NC[C@H]2CCCCO2)nc(C(F)F)n1 872423631 ZDBFGYWANNNKTO-ZCFIWIBFSA-N 259.260 1.372 0 50 CDAA Cc1conc1C(=O)N1CCC[C@@H]1CCN(C)C 1875276391 XHIHOGPCEDDWPF-LLVKDONJSA-N 251.330 1.539 0 50 CDAA Cc1nc([C@@H]2CCCNC2)sc1C(=O)N[C@H](C)C(=O)O 1875291229 RVQIZYSRGSHBJZ-RKDXNWHRSA-N 297.380 1.121 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H]1CCN1Cc1ccccc1 1875273254 JVHGLUZOLFTATF-LHRNQBEKSA-N 288.347 1.106 0 50 CDAA Cn1cc(NC(=O)Nc2ccc(Cn3ccnc3)cc2)nn1 1875337009 NIAYOVKVZHTOHX-UHFFFAOYSA-N 297.322 1.704 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1875332715 GJIXLYAHFHXYMC-URLYPYJESA-N 289.335 1.188 0 50 CDAA Cc1ncc(CC(=O)N2CC(N(C)CC(C)C)C2)o1 1875330650 XGPRQUFAQZQSQY-UHFFFAOYSA-N 265.357 1.324 0 50 CDAA O=C(N[C@H](CO)Cc1ccoc1)c1ncc(Cl)s1 1875313204 YWSYOSOFCPKMJW-QMMMGPOBSA-N 286.740 1.723 0 50 CDAA CC(C)C[C@H]1CN(C)CCN1C(=O)CCc1cn[nH]c1 886600093 MOTPVZHAYQJGBR-AWEZNQCLSA-N 278.400 1.531 0 50 CDAA O=C(O)c1cccnc1N1C[C@@H](C(=O)O)[C@H](C(F)F)C1 888092744 IJTDDJUWSWVJJV-HTQZYQBOSA-N 286.234 1.182 0 50 CDAA C[C@@H](Cn1cccn1)NS(=O)(=O)CCCC(F)F 1775989418 ALDRPPFVANTXNO-VIFPVBQESA-N 281.328 1.236 0 50 CDAA O=C1CC2(CCCCC2)C(=O)N1Cc1cccc2ncnn12 1775989843 BPBZQOYTTNYMDH-UHFFFAOYSA-N 298.346 1.939 0 50 CDAA C[C@H](CCc1ccc(O)cc1)NCCN1CCOCC1 19954551 AVRVBCOFSZRXIV-CQSZACIVSA-N 278.396 1.635 0 50 CDAA CC[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@H](C)O1 155634263 KOLLWJIWPLKVQT-CFVMTHIKSA-N 276.380 1.582 0 50 CDAA COC[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O 159084359 ICSPBNABBYPTSX-LBPRGKRZSA-N 270.288 1.911 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ncc[nH]3)C2)cc1 404370528 IMKRAARZQNJXTL-GFCCVEGCSA-N 291.376 1.896 0 50 CDAA O=C(CN1CCO[C@H](C2CCCCC2)C1)NCC1CC1 368833159 IFIODARCECPNAT-HNNXBMFYSA-N 280.412 1.794 0 50 CDAA O=C1CC[C@H]2CN(C(=O)NCCc3ccsc3)C[C@@H]2N1 2325775961 PZDDXBPFAYMJJD-RYUDHWBXSA-N 293.392 1.211 0 50 CDAA COC[C@H](NC(=O)c1cnoc1CC(C)C)[C@@H]1CCCO1 2325806390 OZVHGWNNPCRMFC-STQMWFEESA-N 296.367 1.797 0 50 CDAA CCc1nnc([C@H](C)N2CCN(C(=O)C3CC3)[C@@H](C)C2)o1 2325815804 MTGATLMJURPYNE-QWRGUYRKSA-N 292.383 1.636 0 50 CDAA O[C@@H](Cn1ccnc1-c1ccccc1)C1(O)CCC1 899879081 ZYAFVBHGKKUTNQ-ZDUSSCGKSA-N 258.321 1.826 0 50 CDAA CCOC(=O)Cc1csc(NC(=O)CCC(=O)O)n1 154981 JJAIOCMKLLFZTB-UHFFFAOYSA-N 286.309 1.052 0 50 CDAA O=C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 185238 NUUQCVDWILLBPD-UHFFFAOYSA-N 284.315 1.878 0 50 CDAA O=C1c2cccc3cccc(c23)C(=O)N1n1cnnc1 199009 LNOAOMZTERHTTE-UHFFFAOYSA-N 264.244 1.364 0 50 CDAA Cc1ccc(CCNC(=O)N2C[C@H](F)C[C@@H]2CO)nc1 459203551 TWBRVNUQRQJNAR-DGCLKSJQSA-N 281.331 1.047 0 50 CDAA O=C(C[C@H]1SC(=O)NC1=O)NCc1ccccc1 1191081 BEWLWRHDSMNVSG-SECBINFHSA-N 264.306 1.045 0 50 CDAA COC1(CN(C)C)CCN(C(=O)Cc2cccnc2)CC1 2356149826 CDOFTVGIUIETKT-UHFFFAOYSA-N 291.395 1.193 0 50 CDAA Cn1cnc2nc(=NCCCOc3cccnc3)[nH]cc21 2356158973 GSGAHDFJFKYKTH-UHFFFAOYSA-N 284.323 1.061 0 50 CDAA Cc1csc2ncc(C(=O)NCc3ccco3)c(=O)n12 4101760 PMPFMAJFPJSSMA-UHFFFAOYSA-N 289.316 1.587 0 50 CDAA C[C@H](NC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 4750044 NHVPEYNDROUJJM-JQWIXIFHSA-N 277.320 1.755 0 50 CDAA CCc1ccc(/C=C2/C(=O)NC(=O)N2C(C)=O)cc1 100160668 IMDSRGDXQFPTIH-WQLSENKSSA-N 258.277 1.688 0 50 CDAA Nc1nccnc1C(=O)Nc1ccc(-c2nnc[nH]2)cc1 109974623 FBXMNTGXEQCFKA-UHFFFAOYSA-N 281.279 1.096 0 50 CDAA CNC(=O)c1ccc(NC(=O)c2ccncc2)cc1 8424187 IOOUNJFOOITYQC-UHFFFAOYSA-N 255.277 1.694 0 50 CDAA C[C@]1(P(=O)(O)O)c2ccccc2O[P@]1(=O)O 22591129 QOJLTWOWHGWWQB-MRVPVSSYSA-N 264.110 1.615 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)c1c(C)nc2ncccn12 67834103 HYARIAZTEZXNEN-SNVBAGLBSA-N 299.338 1.140 0 50 CDAA CCc1cnc([C@@H](C)NC(=O)[C@@H]2CCNC2)s1 135286308 POULXGOVLDMYEP-RKDXNWHRSA-N 253.371 1.492 0 50 CDAA CCn1cc(CNCCN2CCNCC2)c2ccccc21 20968613 ZTSIYSCIXHZDCN-UHFFFAOYSA-N 286.423 1.656 0 50 CDAA O=C1[C@@H]2CSCCN2C(=O)N1[C@H]1C[C@H]1c1ccccc1 349168178 HDTFPXCNPMQGNT-AVGNSLFASA-N 288.372 1.922 0 50 CDAA c1cc(-c2nc(C3CC3)n[nH]2)cc(-n2cnnc2)c1 65404485 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Cc1nc(C)c(C(=O)N2CCCN([C@@H]3CCOC3)CC2)o1 1775981320 KAXHWJPUSDTWKA-CYBMUJFWSA-N 293.367 1.228 0 50 CDAA Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC(=O)N1 12404769 XDCNCGUHLWFRFB-JTQLQIEISA-N 252.701 1.866 0 50 CDAA Cc1cccc(CNCc2cccnc2N2CCOCC2)n1 12441737 CIRXVKBVCREUIF-UHFFFAOYSA-N 298.390 1.911 0 50 CDAA Cc1nonc1NC(=O)CSC1=NCCS1 12858120 YTIURXWWPVOBCX-UHFFFAOYSA-N 258.328 1.153 0 50 CDAA COCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 15465494 LFDNOFMOMOOAIB-CYBMUJFWSA-N 290.363 1.419 0 50 CDAA NS(=O)(=O)Nc1cccc(Br)c1 19510558 FMEDIKFZXOFJRT-UHFFFAOYSA-N 251.105 1.065 0 50 CDAA CCOC(=O)/C(C#N)=C1/N=CC(c2ccccc2)=CN1 2469012 FVFMNHLVPBWKLW-BUHFOSPRSA-N 267.288 2.000 0 50 CDAA CN(C)c1ccnc(CNC(=O)[C@@H]2C[C@H]3C[C@@H](N)[C@H]3C2)c1 1857527220 KLWOFPMLPPYFOR-IDTSFGKNSA-N 288.395 1.137 0 50 CDAA Oc1n[nH]c(Cn2ccnc2-c2ccc3ncccc3c2)n1 1857696047 JUPWMYPZAHMDPC-UHFFFAOYSA-N 292.302 1.970 0 50 CDAA COc1cc(-c2ccc([C@H]3CNC(=O)C3)cc2)nc(OC)n1 1857723216 WSPJRHVJYZTFJZ-GFCCVEGCSA-N 299.330 1.764 0 50 CDAA Cn1nc(-c2cccnc2)cc1NC(=O)C1CCOCC1 1857737597 UIPXULPYHTUTRP-UHFFFAOYSA-N 286.335 1.847 0 50 CDAA O=C(Nc1cc(F)cc(F)c1)c1cn2c(n1)CCNCC2 1875244754 SOCGTUKSVVEVAH-UHFFFAOYSA-N 292.289 1.559 0 50 CDAA Cc1ccccc1[C@H]1CN(C(=O)C2(N)CC2)C[C@@H]1C(=O)O 216807677 LURJTHCBQGVHGB-OLZOCXBDSA-N 288.347 1.113 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 2816089 IZPMTGWZPCZFNW-LLVKDONJSA-N 283.349 1.480 0 50 CDAA in-vitro CCOC(=O)[C@@H]1[C@H]2C[C@@H](C[C@H]2N)N1C(=O)OC(C)(C)C 309599008 LXCIMGVQERDOBN-MMWGEVLESA-N 284.356 1.275 0 50 CDAA C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=N)O)n1cncn1 332178007 VWHMCIGNGNYVKE-MFKMUULPSA-N 299.334 1.328 0 50 CDAA C[C@H]1C[C@H](C)CC[C@@H]1NC[C@](C)(O)CN1CCOCC1 241316705 LUGRNEHMSOUNKL-UGUYLWEFSA-N 284.444 1.484 0 50 CDAA C[C@@H]1CCN(S(=O)(=O)NCc2ccc(C(=O)O)cc2)C1 262374437 FZPMDCAIZNQGSO-SNVBAGLBSA-N 298.364 1.061 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](N)C2)ccc1-n1cncn1 158605266 FJJCSSGVWIRZTD-ZDUSSCGKSA-N 285.351 1.139 0 50 CDAA COc1cccc(OC)c1CC(=O)N1CCC[C@@H]1C(=O)O 263344268 YNZIWPICOIYKHQ-LLVKDONJSA-N 293.319 1.322 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccccc1)C2 1704313693 NHRCNJGSGBOAGV-KJMJWJSPSA-N 286.375 1.489 0 50 CDAA C[C@@H](NC(=O)c1ccc(O[C@@H]2CCOC2)cc1)C(=O)O 909131280 RZSBSGQOBDQODC-BXKDBHETSA-N 279.292 1.057 0 50 CDAA Cn1cc(CCNC(=O)Cn2nccc2N)c2ccccc21 1147695932 NRSIFJSHGZRFJS-UHFFFAOYSA-N 297.362 1.316 0 50 CDAA CC[C@@H]1CN(C(=O)NCc2ocnc2C)C[C@H](C)O1 864095255 AXWSJTHXJXINIH-GXSJLCMTSA-N 267.329 1.692 0 50 CDAA CN1Cc2nncn2C[C@@H]1c1nc(-c2ccco2)no1 952894694 PNUDPJYSMHVACF-MRVPVSSYSA-N 272.268 1.108 0 50 CDAA Cc1nccnc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952848420 GSHHSBRKLNTHLG-NWDGAFQWSA-N 287.323 1.238 0 50 CDAA COc1nsc(C(=O)NC2CC2)c1Br 952877565 ROUFKJIMWQKFHD-UHFFFAOYSA-N 277.143 1.806 0 50 CDAA Cn1nccc1CN=c1[nH]nc([C@H]2CCCS2)o1 1875288817 FJPOOWWGWCUHGE-SECBINFHSA-N 265.342 1.405 0 50 CDAA O=C(NC1COC1)c1cnc2c(F)ccc(F)c2c1 1875345299 VLBSABRRZVBCRH-UHFFFAOYSA-N 264.231 1.642 0 50 CDAA C[C@@H]1COC[C@@](CO)(CNCc2ccc(Cl)o2)N1C 1875398908 ISMVNXAQJLDWBN-MFKMUULPSA-N 288.775 1.104 0 50 CDAA COC1CC(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875396448 HRIQMNPYNALDHU-IZUQBHJASA-N 293.367 1.587 0 50 CDAA Cc1nnc(N2CCC[C@@H](n3ccnn3)CC2)nc1C 895103730 AQTWQJKJQLUXMX-GFCCVEGCSA-N 273.344 1.312 0 50 CDAA Cc1nccc(C(=O)N2CCCCC[C@H]2C(=O)O)n1 257725493 VKBFXICSDTZGEZ-NSHDSACASA-N 263.297 1.254 0 50 CDAA Cc1ncncc1C(=O)N1CCC[C@H](CCC(=O)O)C1 262969697 PNNMYSCDPVMIKJ-LLVKDONJSA-N 277.324 1.502 0 50 CDAA CCC(CC)(CN)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 170687887 JYGSTDWZSMEHGQ-STQMWFEESA-N 284.400 1.158 0 50 CDAA Cn1ccnc1CN[C@H](Cn1ccnc1)C(C)(C)C 51923385 ZRNYGKGQMUASFR-GFCCVEGCSA-N 261.373 1.821 0 50 CDAA CCCS(=O)(=O)N[C@H](c1nccn1C)C1CC1 352281986 QDKMOEFKMXCXPG-JTQLQIEISA-N 257.359 1.201 0 50 CDAA CC1(C)CNCC[C@@H]1NC(=O)CC1CCOCC1 335497136 VYARUGUILRAIEH-LBPRGKRZSA-N 254.374 1.307 0 50 CDAA Cc1nn(C)cc1CN(C)CCn1cc(Cl)cn1 670451739 FZEIEVBCFXWYME-UHFFFAOYSA-N 267.764 1.710 0 50 CDAA N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccncc2)C1 380930258 VABZCTAGAMGQBQ-NXEZZACHSA-N 273.258 1.576 0 50 CDAA O[C@@H]1COC[C@H]1Oc1ccc(Br)cc1 117383628 DLWPAASSYWIWAW-NXEZZACHSA-N 259.099 1.588 0 50 CDAA OCc1cnc(N2CCC[C@H]2c2cccnc2)cn1 891611854 XDAYMHAUVIPPKU-ZDUSSCGKSA-N 256.309 1.705 0 50 CDAA O=C(N[C@@]1(CCCO)CSC[C@@H]1O)c1ccccc1 2930774 KVDDTGXKMGBKNW-JSGCOSHPSA-N 281.377 1.035 0 50 CDAA Cc1cc(C)n(C)c(=O)c1C(=O)Nc1cn(C(C)C)nn1 2100482391 VZJLXGXQIMRNSK-UHFFFAOYSA-N 289.339 1.427 0 50 CDAA O=C(O)C[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 65280 UDOPITICNQWATG-QMMMGPOBSA-N 268.656 1.240 0 50 CDAA CC1(C)SC[C@@H]2C(=O)N3[C@H](CSC3(C)C)C(=O)N21 227645 VVHDYXKIFLVWSV-HTQZYQBOSA-N 286.422 1.360 0 50 CDAA biogenic N[C@H](CC(=O)O)C(=O)Nc1ccc2ccccc2c1 402690 YRMVHTZHFWHHIU-GFCCVEGCSA-N 258.277 1.580 0 50 CDAA O=C(CNC(=O)c1ccco1)OCC(=O)c1ccccc1 2820898 ABOHSGGXBQUVHJ-UHFFFAOYSA-N 287.271 1.436 0 50 CDAA CCOC(=O)c1ccc2[nH]c3c(c2c1)CS(=O)(=O)CC3 3157047 KQSZCNKBKKPCAD-UHFFFAOYSA-N 293.344 1.816 0 50 CDAA CCCNC(=O)[C@H]1CC(=O)N(c2ccc(O)cc2)C1 4383796 LEMKCOBNQSHOCX-JTQLQIEISA-N 262.309 1.271 0 50 CDAA COc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4559420 OHLPYZWFDUHLNV-SNVBAGLBSA-N 284.337 1.004 0 50 CDAA CCCCn1nnc(NC(=O)COc2ccccc2C)n1 6204348 VPLCROPNPRYEID-UHFFFAOYSA-N 289.339 1.799 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(OC)c(OC)c1 343812490 CPFGTKXKWLMCJF-UONOGXRCSA-N 295.379 1.940 0 50 CDAA O=C1NCCN(Cc2ncc[nH]2)[C@@H]1c1ccc(F)cc1 65385762 VVFREQKLTJQPOB-CYBMUJFWSA-N 274.299 1.222 0 50 CDAA Cc1nc(CN)cc(N(C)CCN2CCCC[C@@H]2C)n1 67872670 PPXSJYVSVCUIGN-LBPRGKRZSA-N 277.416 1.554 0 50 CDAA CCCO[C@H]1CCCN(C(=O)Nc2ncn(CC)n2)C1 20864144 SJNDHCKBAUIBSM-NSHDSACASA-N 281.360 1.721 0 50 CDAA CC(C)(NS(=O)(=O)C1CC1)C(=O)NCC1CCCC1 135665799 LZTFWOGBPYIPKT-UHFFFAOYSA-N 288.413 1.153 0 50 CDAA CC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 23282567 MLNALDQTTAADNX-INIZCTEOSA-N 258.365 1.708 0 50 CDAA CCCN1CCC[C@H](c2nc3c([nH]2)CCCNC3=O)C1 65399284 OTJILPAKOHHGHX-NSHDSACASA-N 276.384 1.675 0 50 CDAA CC(C)C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@@]1(C)O 67649610 YZWHEAUUHUKEQT-XJKSGUPXSA-N 292.379 1.634 0 50 CDAA O=c1c2nnc3ncnn3c2ccn1-c1ccccc1Cl 67630809 MTHRETOOARHVIL-UHFFFAOYSA-N 298.693 1.477 0 50 CDAA CSC[C@H](C)CNC(=O)N(C)C[C@H]1CCC[C@H]1O 252511204 DYCPITVBZYRDHD-IJLUTSLNSA-N 274.430 1.788 0 50 CDAA CC[C@H](NC(=O)CCOC)c1cn2cccnc2n1 215020780 CHDZSSHAYQWHEM-JTQLQIEISA-N 262.313 1.333 0 50 CDAA O=C1[C@@H](N[C@H](CO)c2ccsc2)CCN1C1CC1 329921127 HJNGKQSMIRASSX-NWDGAFQWSA-N 266.366 1.134 0 50 CDAA Oc1nc(=S)n(C[C@H]2CCCO2)c2nc[nH]c12 38437163 RSPDBEVKURKEII-ZCFIWIBFSA-N 252.299 1.373 0 50 CDAA in-vitro CN(C)c1ncc(CN2CCC[C@H](OCC3CC3)C2)cn1 375285599 DGMJZDJBMPPJMC-HNNXBMFYSA-N 290.411 1.934 0 50 CDAA COCc1cc(NC(=O)[C@@H](C)OC)cc(C(=O)O)c1 263110817 PSWVPVMRXZBMHM-MRVPVSSYSA-N 267.281 1.505 0 50 CDAA COc1ccc(CCCNC(=O)[C@H](C)N)cc1OC 155866036 DUZBONWJHZLEFU-JTQLQIEISA-N 266.341 1.100 0 50 CDAA COCCC[C@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 77453454 LLBSUBGWGMNGEJ-GFCCVEGCSA-N 265.357 1.997 0 50 CDAA CCCc1oncc1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 72140271 LZZJOYPKOGWVTJ-AWEZNQCLSA-N 293.323 1.294 0 50 CDAA C[C@@H](NC1CCN(C(=O)c2ccco2)CC1)c1ncc[nH]1 331833404 KSDBUWOJJDCERF-LLVKDONJSA-N 288.351 1.958 0 50 CDAA COc1ccc([C@@H](CN)N2CC[C@H](C(=O)O)C2)cc1OC 35622891 PMSFHMBZPILRRH-NWDGAFQWSA-N 294.351 1.110 0 50 CDAA Cc1n[nH]c(C)c1CNc1ccc2[nH]c(=O)n(C)c2c1 281808603 PZAVPVIYCBXERY-UHFFFAOYSA-N 271.324 1.819 0 50 CDAA CCc1cc(N[C@H](C(N)=O)C(C)C)n2nc(C)c(C)c2n1 72476359 DFDZMEOPVJMGJV-ZDUSSCGKSA-N 289.383 1.830 0 50 CDAA COc1ccc(C2=NOC3(CCNCC3)N2)cc1F 72226823 XMDLBJRSRIOOPX-UHFFFAOYSA-N 265.288 1.195 0 50 CDAA Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@](C)(C(=O)O)C2)n1 262104214 CTTWOIDHNGBDHB-DOMZBBRYSA-N 293.367 1.774 0 50 CDAA O=C(N[C@H]1CCn2ccnc2C1)[C@H](C1CC1)N1CCCC1 333034381 SPCQVEQXMCVHAG-ZFWWWQNUSA-N 288.395 1.189 0 50 CDAA COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 79057801 FRZZQROAGVAOAG-SECBINFHSA-N 259.302 1.185 0 50 CDAA O=C(O)[C@@H]1CN(c2ccc3cccc(Cl)c3n2)CCN1 71760661 LXNAYRLMTDCUOX-NSHDSACASA-N 291.738 1.751 0 50 CDAA CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)C(=O)O)c1 237503710 ZWJZJBRXSFUOJD-ZCFIWIBFSA-N 284.699 1.501 0 50 CDAA O=C(CCn1cnnn1)N1CC[C@H](c2ccccc2F)C1 77486689 MFUMYAYFCZAQNT-NSHDSACASA-N 289.314 1.218 0 50 CDAA Cc1o[nH]c(=NC(=O)N[C@H](C)C2CCOCC2)c1C 334720812 AFKKMTBWABLQBM-SECBINFHSA-N 267.329 1.650 0 50 CDAA O=C(Cc1ccc2ccccc2c1)N1CC[C@H](CO)[C@H](O)C1 72140344 OLYGYMHBHZSRGN-IAGOWNOFSA-N 299.370 1.584 0 50 CDAA COc1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)nn1 282627810 AQBSAJVZXLCSMP-TZMCWYRMSA-N 287.367 1.765 0 50 CDAA O=C(CCc1cccnc1)NCCSc1cn[nH]n1 221160311 XNXASPRSUXOSPL-UHFFFAOYSA-N 277.353 1.041 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)NCCn2cccn2)C1 426387264 KLALSWFZTBGLII-CYBMUJFWSA-N 280.372 1.484 0 50 CDAA Cc1ccnc(CNc2cc(C3CC(N)C3)nc(N)n2)c1 223254775 FBRUJQRKHFRHHS-UHFFFAOYSA-N 284.367 1.579 0 50 CDAA Cc1nnnn1CCC(=O)N[C@@H]1CCc2ccccc2C1 222294039 NKRVAUOMTNGMCR-CQSZACIVSA-N 285.351 1.045 0 50 CDAA Cc1cnn([C@@H](C)CNC(=O)c2ccc(C(=O)O)cc2)c1 426667717 YSOTXBRCISHKDI-NSHDSACASA-N 287.319 1.881 0 50 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1.631 0 50 CDAA CC[C@H](O)Cn1nc(C)nc1Cc1c(C)noc1C 96132921 CUSMYFIWRZHABW-NSHDSACASA-N 264.329 1.553 0 50 CDAA CSCc1noc(CNc2ncnc3onc(C)c23)n1 92098808 GGRHVRHFPZDZBG-UHFFFAOYSA-N 292.324 1.784 0 50 CDAA CCc1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)c1 239184798 QZIMBOVHLJZHLU-YIYPIFLZSA-N 287.315 1.842 0 50 CDAA COC[C@H]1CCCN1C(=O)CCCc1cn[nH]c1 97679928 OILIVTCEWFZQCR-GFCCVEGCSA-N 251.330 1.370 0 50 CDAA O=C1CC[C@@]2(CCOC2)CN1Cc1n[nH]c2c1CCC2 91780094 PKVSFRZJTIJVSM-OAHLLOKOSA-N 275.352 1.428 0 50 CDAA CC(C)C(=O)Nc1ccc(-c2n[nH]c(C(N)=O)n2)cc1 96154133 WELFFRDGAFPGLP-UHFFFAOYSA-N 273.296 1.165 0 50 CDAA CSc1cccc(N(CC(=O)O)S(C)(=O)=O)c1 242548431 LKUSPHMWRZZEBP-UHFFFAOYSA-N 275.351 1.259 0 50 CDAA O=C(O)c1cc(/C=C/c2cnn3ccccc23)ncn1 534144862 QPSSLUPEHXHJQH-SNAWJCMRSA-N 266.260 1.993 0 50 CDAA CCN(CCS(C)(=O)=O)Cc1ccc2cn[nH]c2c1 180088093 JPWDNPZVMCBGMR-UHFFFAOYSA-N 281.381 1.429 0 50 CDAA CCc1nc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n[nH]1 244874215 WWRPKFQQDWAWOF-NEPJUHHUSA-N 299.378 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CDAA CCc1noc(Cn2c(C(C)(C)C)noc2=O)n1 1875391333 LOFXWOZNEXPROY-UHFFFAOYSA-N 252.274 1.128 0 50 CDAA Cn1cnnc1[C@@H]1CCCN1Cc1cnn(C)c1C1CC1 892150314 KNYAPOPZLZLOTF-ZDUSSCGKSA-N 286.383 1.763 0 50 CDAA Cc1conc1CNC(=O)c1ccccc1CCC(=O)O 1775994080 SAGYGDGCMWFPEF-UHFFFAOYSA-N 288.303 1.930 0 50 CDAA c1cc(-c2noc([C@]34CNC[C@H]3CCOC4)n2)ccn1 899990395 OYCWAEXGEKNBMZ-RISCZKNCSA-N 272.308 1.009 0 50 CDAA O=C1CCC[C@H](C(=O)Nc2ccc3nc[nH]c3c2)N1 270380444 YHYQCRRYDCZRGX-SNVBAGLBSA-N 258.281 1.170 0 50 CDAA C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1ccncc1 35693079 SJLDFUAFOMMFMH-JTQLQIEISA-N 277.349 1.703 0 50 CDAA CC(C)n1nccc1C(=O)N1CCC[C@H](O)CC1 294767958 JMTWMRRKRIEXNC-NSHDSACASA-N 251.330 1.451 0 50 CDAA Cc1nc(N)sc1C(=O)NCCn1cc(Cl)cn1 311065436 XXCWKFXUFDNHOQ-UHFFFAOYSA-N 285.760 1.314 0 50 CDAA CC1(C)C[C@@H](O)CCN(Cc2cccc(C(=O)O)n2)C1 395505042 MNZNRJKAYXCUJL-LBPRGKRZSA-N 278.352 1.763 0 50 CDAA COC1(C(=O)N2CCC[C@H](CCC(=O)O)C2)CC1 863981721 LOHFYJYUWKRNJW-SNVBAGLBSA-N 255.314 1.269 0 50 CDAA COc1cc2c(cc1-c1nccnc1OC)OCO2 2100483253 FZPNEQWSPNEHKA-UHFFFAOYSA-N 260.249 1.890 0 50 CDAA N[C@H]1CCC[C@@H](C(=O)N2CCC3(CCOCC3)CC2)C1 584894872 HXNXWMHJMLQMHQ-KGLIPLIRSA-N 280.412 1.923 0 50 CDAA O=C(O)c1cc(NC(=O)C2([C@H]3CCCN3)CC2)ccc1O 2325780260 TVAHJQMMTDUCGF-GFCCVEGCSA-N 290.319 1.561 0 50 CDAA CCOC(=O)[C@H]1[C@H]2C=C[C@@H](C2)N1C(=O)CCc1cc[nH]n1 2325782170 ALPDLYXJCNXOGK-VHRBIJSZSA-N 289.335 1.061 0 50 CDAA NC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1 250724 CRIZKKALFPATJF-UHFFFAOYSA-N 292.404 1.893 0 50 CDAA COc1ccc(S(=O)(=O)NCc2ccco2)cc1 272661 SLNUIRAMTTXSDW-UHFFFAOYSA-N 267.306 1.767 0 50 CDAA CS(=O)(=O)N(CC(=O)O)c1cc(Cl)ccc1Cl 555664 LPNWDFHEFDWYEC-UHFFFAOYSA-N 298.147 1.844 0 50 CDAA Cc1cc(OCC(=O)N2CCOCC2)ccc1Cl 580907 VHCWMOCHICIORN-UHFFFAOYSA-N 269.728 1.886 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)N(C)Cc1c(C)noc1C 2356170205 ZVQNMLDUECVNCN-LLVKDONJSA-N 285.413 1.719 0 50 CDAA COCCCNC(=O)C(=O)N[C@@H](C)c1ccccc1 2824252 HAYXKOBKJWJELL-NSHDSACASA-N 264.325 1.017 0 50 CDAA CC1=CC[C@H]2C[C@H]1NC(=O)CCOCCC(=O)NC2(C)C 4257689 NADMYHVEYWCVSO-QWHCGFSZSA-N 294.395 1.533 0 50 CDAA biogenic CNCCOc1ccc(I)cc1 16293874 LWMXTHRQBOIJAW-UHFFFAOYSA-N 277.105 1.889 0 50 CDAA COc1ccccc1CC(=O)NCCN1CCCCC1 6730469 QZFCSEJGFVYKNH-UHFFFAOYSA-N 276.380 1.840 0 50 CDAA Cc1nc(C)n([C@H](C)CC(=O)Nc2cccnc2)n1 8714437 ZLJLUTJZJDWGFS-SECBINFHSA-N 259.313 1.880 0 50 CDAA O=S1(=O)CCC(NCC[C@H]2CCCCO2)CC1 223711807 LPBHWZIBISNVQY-GFCCVEGCSA-N 261.387 1.112 0 50 CDAA Cc1ccc(OCCOCCN2CCN(C)CC2)c(C)c1 22184829 XIHFCHPRLQCVNH-UHFFFAOYSA-N 292.423 1.946 0 50 CDAA CC(=O)N1CCC(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)CC1 67804270 CBUCIGJSUQHHCJ-SNVBAGLBSA-N 292.383 1.024 0 50 CDAA Cc1cc(C)n(C[C@@H]2CCCN2[C@H]2C[C@@H](C)OC2=O)n1 247843192 QYOVJOHJUIVVJG-RDBSUJKOSA-N 277.368 1.668 0 50 CDAA Cc1cc(-c2cccc3c2O[C@@H](CN)C3)nc(N(C)C)n1 67741942 CZCZUXJZRRLANL-GFCCVEGCSA-N 284.363 1.780 0 50 CDAA CC(C)CC1(C(=O)NCCc2nnc(S)n2C)CCC1 119183685 BTXDPMUYXFRUMK-UHFFFAOYSA-N 296.440 1.979 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NCC[C@@H]1CCCN(C)C1 67489679 HGYSWTOLSAPJRV-ZDUSSCGKSA-N 278.400 1.417 0 50 CDAA Cc1c(NC(=O)[C@H]2COCCN2)cnn1CCC(C)C 423830065 SVKDZFNCSIWCLP-CYBMUJFWSA-N 280.372 1.165 0 50 CDAA C1CCN2C[C@@H]3CN(c4nc(C5CC5)no4)C[C@H]3[C@H]2C1 229818865 WEKSKOIGLMVQFK-JHJVBQTASA-N 274.368 1.868 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)C2[C@@H]3CCCC[C@@H]23)CCO1 147390311 CSQDSKJPUMNYJC-GMTAPVOTSA-N 267.325 1.125 0 50 CDAA CCOCCC(=O)N1CCC(C(=O)OCC)CC1 4809066 NJEYUUJALXEAER-UHFFFAOYSA-N 257.330 1.215 0 50 CDAA Cn1cc(CCCNC(=O)[C@H](O)c2ccc(F)cc2)cn1 219549780 VMQPDRLMKGLOSD-CQSZACIVSA-N 291.326 1.342 0 50 CDAA COc1ccc(C(=O)N(C)[C@@H](C)c2ccon2)c(OC)n1 215282002 XVADWJFYUJDZBZ-VIFPVBQESA-N 291.307 1.920 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@@H](C)[C@@H]2CN)cn1 429139020 WWWKSUIDENSBJO-RISCZKNCSA-N 261.369 1.518 0 50 CDAA Cn1ccnc1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 215915481 VRXGRLMAFYNKIS-UHFFFAOYSA-N 281.319 1.536 0 50 CDAA COCCOc1ccc(C=O)cc1OCCOC 34964905 GPEGMQBVLGNIMY-UHFFFAOYSA-N 254.282 1.550 0 50 CDAA N[C@H](Cc1c(F)cccc1C(F)(F)F)C(=O)O 33871391 KZEQREVOLXIGHG-MRVPVSSYSA-N 251.179 1.799 0 50 CDAA C[C@@]1(C(N)=O)CCCCN1Cc1ccc2c(c1)OCCO2 368201405 NHDFZJYIBYYHGD-INIZCTEOSA-N 290.363 1.688 0 50 CDAA CC(=O)N[C@H]1CCN(c2nccc(C3CCCC3)n2)C1 71714460 OMZMIZOEOCHYSI-ZDUSSCGKSA-N 274.368 1.849 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)N1CCC(c2nnc[nH]2)CC1 219787185 FHJLGBJYSXRSJG-JTQLQIEISA-N 288.355 1.277 0 50 CDAA CO[C@H]1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 332765161 LKCCWFGALVPUPN-CLWVCHIJSA-N 289.375 1.966 0 50 CDAA CC(C)c1cc(C(=O)N2CCCC[C@H]2[C@@H](C)N)nn1C 236884012 MAYCAPIWAVUQGF-YPMHNXCESA-N 278.400 1.885 0 50 CDAA CCOc1ccc(CCC(=O)N2CC[C@@H](C(=O)O)C2)cc1 236920172 VHWLHTHQPGZTEP-CYBMUJFWSA-N 291.347 1.951 0 50 CDAA Cn1nncc1C(=O)N1CCO[C@]2(CCc3ccccc32)C1 377105249 MBHBZYBLEDBPNB-MRXNPFEDSA-N 298.346 1.129 0 50 CDAA c1cc(CN2CCN(c3cnccn3)CC2)c2nonc2c1 216321131 SXSQKNBKXOLRCU-UHFFFAOYSA-N 296.334 1.335 0 50 CDAA Cc1ncc(CN2CCC(Cn3cccn3)CC2)[nH]1 215196841 SPGIRVGYOUPSOY-UHFFFAOYSA-N 259.357 1.827 0 50 CDAA CN(C)c1nc(CNC(=O)CCc2cccnc2)cs1 218932034 ZBYXAHLPCJCECZ-UHFFFAOYSA-N 290.392 1.853 0 50 CDAA O=C(O)[C@H]1CN(C(=O)C2(Cc3ccccc3)CC2)CCO1 238121891 JEGLUNBLVORESL-CYBMUJFWSA-N 289.331 1.321 0 50 CDAA O=C(N1CC2(CCC2)[C@H]1C1CC1)[C@]1(O)CCSC1 335681694 UUVYVVFLKGFQMI-RISCZKNCSA-N 267.394 1.646 0 50 CDAA Cc1cc[nH]c1C(=O)N1CCC[C@H](CN2CCOCC2)C1 282677782 JLBYMKFKWPOPON-CQSZACIVSA-N 291.395 1.508 0 50 CDAA CN(C)CC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 335937751 LDNIIFUOVCXSNU-OLZOCXBDSA-N 266.316 1.022 0 50 CDAA COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCC(=O)O)c1 263138294 MHMCKWLTVOCJNS-KOLCDFICSA-N 279.292 1.008 0 50 CDAA CC1=CCCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1 241946723 UNKUIDNRLMXOCL-UKRRQHHQSA-N 280.368 1.686 0 50 CDAA CCO[C@@H]1C[C@H](Nc2c(C)c(C)nc3ncnn23)[C@H]1OC 241965503 UTIZWPXBFGPNIJ-QJPTWQEYSA-N 291.355 1.345 0 50 CDAA COCCCC1CCN(C(=O)c2cnco2)CC1 222898769 DHRGGVWEZYYHGO-UHFFFAOYSA-N 252.314 1.953 0 50 CDAA Cc1cccc(C(=O)NS(=O)(=O)[C@H]2COC(C)(C)C2)n1 529106045 LXZHADULWBDTDK-SNVBAGLBSA-N 298.364 1.017 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(Cl)ccc1O 222290075 RHINYRHNCQPTFT-DGCLKSJQSA-N 299.754 1.969 0 50 CDAA CC(C)(CO)CNC(=O)N1CCC[C@@H]1Cn1cccn1 426677410 HUEFMNVURABAKN-GFCCVEGCSA-N 280.372 1.076 0 50 CDAA CC(C)Cn1cncc1CNC(=O)C[C@H]1CCOC1 426359525 BNMPLAVBDJYLKE-GFCCVEGCSA-N 265.357 1.582 0 50 CDAA CSc1ccccc1N1CCN(CCO)CC1 96026557 KSUWQUPHBLPMAQ-UHFFFAOYSA-N 252.383 1.523 0 50 CDAA Cc1nn(C)c(C(=O)NCC[C@@H]2CCOC2)c1Cl 426656809 AVHCXXBTAQUUOP-SECBINFHSA-N 271.748 1.538 0 50 CDAA CC[C@H](NC(=O)CCCn1nc(C)cc1C)C(=O)O 426556089 YWTSFCAAQQAVNN-NSHDSACASA-N 267.329 1.260 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccccc1N(C)C)C2 91416978 GFVOJXJVNZUCOK-UONOGXRCSA-N 287.407 1.919 0 50 CDAA CCC(=O)N1CC[C@H](NC(=O)c2cccnc2S)C1 162381467 XCLPAQKUNZAUFD-VIFPVBQESA-N 279.365 1.111 0 50 CDAA Cn1cnc(NC(=O)CCc2cn(C)c3ccccc23)n1 293673102 MMNYPVYOVRROAV-UHFFFAOYSA-N 283.335 1.878 0 50 CDAA COc1cccc(CN2C[C@H](CO)[C@H](CN(C)C)C2)c1 91494658 MCJQYEOJFVRFET-HUUCEWRRSA-N 278.396 1.297 0 50 CDAA CCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 232968421 KDOOMMVINLZJMO-FIQHERPVSA-N 251.326 1.816 0 50 CDAA Cc1cn2c(C(=O)NC[C@H]3CCCO3)csc2n1 244659526 HEFAIJCAEUSROK-SECBINFHSA-N 265.338 1.613 0 50 CDAA CC[C@@H](O)CN1CCN(C(=O)Nc2ccsc2)CC1 181232832 JOZZJAHXJLEJEY-GFCCVEGCSA-N 283.397 1.669 0 50 CDAA NC(=O)CCC1CCN(C[C@@H]2CCCOC2)CC1 347938760 AEPFNQSRQSRTIP-ZDUSSCGKSA-N 254.374 1.391 0 50 CDAA CC(=O)OC[C@H]1C2[C@H]3[C@H]4C([C@@H]5[C@H]2[C@@H]5[C@@H]43)[C@H]1COC(C)=O 253488336 AHCRTLMRMORPHT-QHSXNMMQSA-N 276.332 1.343 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccno1 250197894 ZOTAAQGUQYWIEE-JLLWLGSASA-N 250.298 1.892 0 50 CDAA O=C(O)[C@H]1CN(Cc2ccccc2)C[C@]12CCOC2 250652708 RVGQCEQOXNXHHZ-HIFRSBDPSA-N 261.321 1.610 0 50 CDAA OCC(F)(F)CNC1CCN(c2nccs2)CC1 184687438 YRODDCZKQJVGRT-UHFFFAOYSA-N 277.340 1.329 0 50 CDAA CN(C)C(C)(C)CNC(=O)N1Cc2ccccc2[C@H](O)C1 534640203 RSRCYYRAOBRFTI-CQSZACIVSA-N 291.395 1.585 0 50 CDAA Nc1ccc(-n2cnc(C(F)(F)F)cc2=O)c(F)c1 261494865 NSYQWFIJCMIMBO-UHFFFAOYSA-N 273.189 1.973 0 50 CDAA CC(C)[C@@H]1C=CCN1Cc1cnc(NCC(=O)O)nc1 534648665 MDUVLFRCNKRYAX-LBPRGKRZSA-N 276.340 1.370 0 50 CDAA Cc1ccc([C@H](CNC(=O)c2nonc2C)N(C)C)cc1 265077891 ZAQDBIAHAWCMTM-ZDUSSCGKSA-N 288.351 1.719 0 50 CDAA Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1O 273066309 ZDGINZXSZJEODM-NSHDSACASA-N 288.347 1.441 0 50 CDAA CCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 473953 NKPUITIYLMUURW-UHFFFAOYSA-N 288.800 1.812 0 50 CDAA CC(C)NC(=O)NCC1(C(F)(F)F)CCNCC1 725264696 JSAKGVZBRUCPOY-UHFFFAOYSA-N 267.295 1.626 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1ccn(CC)c(=O)c1 584887732 UVZRLXPCUJQRNO-CYBMUJFWSA-N 288.351 1.273 0 50 CDAA O=C(CCn1cnnn1)N1CCc2c(Cl)cccc2C1 584900867 OIULHSQBSUGCNE-UHFFFAOYSA-N 291.742 1.302 0 50 CDAA O=C(COc1ccc(-c2nc[nH]n2)cc1)N1CCCCC1 670445420 ITZNHZXKNGCGQR-UHFFFAOYSA-N 286.335 1.863 0 50 CDAA O=C(C1CCC1)N1CCCN(CC[C@H]2CCOC2)CC1 670460663 OIYLKOASCYZGMQ-AWEZNQCLSA-N 280.412 1.747 0 50 CDAA COc1cc(C)cnc1C(=O)N1CCC[C@@H](O)CC1 408178960 WDCGOTUXTJLRKZ-LLVKDONJSA-N 264.325 1.386 0 50 CDAA O=C(/C=C/COCC(F)(F)F)NC[C@@H]1CCCOC1 408522481 JTTVLFVBWUNLIC-YWNRKNDBSA-N 281.274 1.664 0 50 CDAA CC(C)O[C@]1(C(=O)N[C@@H]2COc3ccccc32)CCOC1 408519373 LPBARFAPOHNRHA-CZUORRHYSA-N 291.347 1.820 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)NCC2(Cn3cccn3)CC2)C1 1565529006 SYHYZJMTAUSJSF-NEPJUHHUSA-N 291.351 1.280 0 50 CDAA O=C(O)c1ccc2c(c1)CN(C(=O)c1ccncc1)CC2 211899717 ZBDXNTWFXJKBMR-UHFFFAOYSA-N 282.299 1.978 0 50 CDAA Cc1cnn(CC(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@H]32)c1 630275213 SPIGVLRDJRZFQO-FRRDWIJNSA-N 291.351 1.293 0 50 CDAA Cc1noc([C@@H]2CC[C@H](CNc3ncccn3)O2)n1 275439845 SGHHSJLQBIHPKS-ZJUUUORDSA-N 261.285 1.500 0 50 CDAA Cc1cnc(C)c(NCCOC[C@H]2CCCO2)n1 170595521 CTCBRAQBGMDBQY-GFCCVEGCSA-N 251.330 1.701 0 50 CDAA CCc1nnc(S)n1CCNC(=O)C1[C@H]2CCC[C@H]12 170652207 IHRCCKHPMMIQIN-IUCAKERBSA-N 280.397 1.292 0 50 CDAA C[C@@H]1O[C@H](C)C[C@H]1C(=O)N1CCC(c2nnc(O)o2)CC1 632882516 ZMRPOEVOZDSPCE-WCABBAIRSA-N 295.339 1.295 0 50 CDAA CC(C)C(=O)c1cnccc1NC(=O)c1ccn(C)c(=O)c1 187468172 YQEQRKDKQAGBCJ-UHFFFAOYSA-N 299.330 1.871 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1ccc(F)c(F)c1 643763123 TYEXJRYNLDJUPF-AWEZNQCLSA-N 284.306 1.431 0 50 CDAA O=C(O)c1csc(NC(=O)[C@H]2CCCCO2)c1 191359002 FPERNCSGIYKGOG-MRVPVSSYSA-N 255.295 1.954 0 50 CDAA CC(C)n1cc([C@]2(O)CCN(Cc3ccccc3)C2)nn1 583614675 TZESCKFFMVDIQE-INIZCTEOSA-N 286.379 1.953 0 50 CDAA C[C@@]1(c2ccccc2)CN(C(=O)c2ncc[nH]2)CCO1 585107082 NKKRIPQGXYVIFM-HNNXBMFYSA-N 271.320 1.798 0 50 CDAA CC(=O)Nc1cccc(CN2CCOC[C@@]23CCOC3)c1 193730487 WFURRHITPURJID-INIZCTEOSA-N 290.363 1.636 0 50 CDAA CO[C@H]1C[C@H]2CN(Cc3ncc[nH]3)Cc3cccnc3N2C1 877688749 VPSKGGSRFHNVEI-KBPBESRZSA-N 299.378 1.414 0 50 CDAA COc1cccc(CNC(=O)[C@H]2C[C@@H]3[C@@H](N)C[C@H]3C2)c1C 1615554649 VPJFRWUNXOYDLJ-KBXIAJHMSA-N 288.391 1.993 0 50 CDAA Cc1cc(C[C@H]2CN(C(=O)c3ccoc3)C[C@@H]2O)on1 1616082461 VXDVDGXYQMWVSE-AAEUAGOBSA-N 276.292 1.252 0 50 CDAA CO[C@H]1C[C@@H](Nc2ncnc(N)c2Cl)C1(C)C 300424940 NLNBULMFAUGLPD-RQJHMYQMSA-N 256.737 1.938 0 50 CDAA CNC[C@@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1 213922433 YYCDPMRDTWXUGM-VIFPVBQESA-N 288.335 1.200 0 50 CDAA CC(C)CC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529102098 VTYWTTNPXXPVDA-GDBMZVCRSA-N 277.364 1.994 0 50 CDAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC(=O)O)C1 236868350 GGWDHTGUDHZBJE-MNOVXSKESA-N 256.346 1.088 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(C(=O)O)o2)[C@@H](C)CO1 132607907 UTVLBTKDHGSXBS-YUMQZZPRSA-N 253.254 1.227 0 50 CDAA CCc1oc(C(=O)N2CCS(=O)(=O)CC2)cc1C 153912545 YXMNFCNOBQWGME-UHFFFAOYSA-N 271.338 1.021 0 50 CDAA COc1ccccc1NC(=O)CSc1nccc(=O)[nH]1 17749827 MPRCVLFREDTJPC-UHFFFAOYSA-N 291.332 1.509 0 50 CDAA CNCc1nnc(NC[C@H]2Cc3ccccc3CN2C)o1 1772707000 VUVPWIBSNIENNK-CYBMUJFWSA-N 287.367 1.258 0 50 CDAA O=C1NCCc2ccc(-n3ccnc3[C@@H]3CCOC3)cc21 1772805697 QYLYYMWSTMQKMJ-GFCCVEGCSA-N 283.331 1.662 0 50 CDAA O=C([C@H]1CCCO1)N1CCC(O)(c2ccccn2)CC1 12114556 KAAFOERLHCNAHE-GFCCVEGCSA-N 276.336 1.071 0 50 CDAA Cc1c(Cl)cccc1NC(=O)C(=O)N1CCN(C)CC1 19594498 LAZJBJSXDMQWRX-UHFFFAOYSA-N 295.770 1.361 0 50 CDAA CCN1CCN(C[C@@H](O)COc2cc(C)ccc2C)CC1 19770755 AOIXIPPQTHHDSX-MRXNPFEDSA-N 292.423 1.681 0 50 CDAA COc1ccc(C)cc1NC(=O)[C@H](C)N1CCOCC1 19973833 PLDNRUNEMRHPAV-LBPRGKRZSA-N 278.352 1.663 0 50 CDAA O=C(O)c1cnc(OCCOCc2ccccc2)cn1 200638140 TUQANWMDVJRNNK-UHFFFAOYSA-N 274.276 1.770 0 50 CDAA Cn1ncc(C2CC2)c1CNC(=O)[C@H]1C[C@H]2C[C@@H](N)[C@H]2C1 1857532969 QIRBPRCYCDYYLE-ZJQBRPOHSA-N 288.395 1.287 0 50 CDAA CNC(=O)C[C@@H]1CCN(c2cnc3ccccc3n2)C1 1857675337 UDSXKEILEMJACS-NSHDSACASA-N 270.336 1.592 0 50 CDAA CN1CCO[C@@H](Cn2ccnc2-c2nc3ccccc3[nH]2)C1 1857680125 GXXHSKGGDOLDCC-GFCCVEGCSA-N 297.362 1.757 0 50 CDAA O=C(NCc1nc2ncccc2o1)c1cn2ccsc2n1 1857685145 PIVFTSVJNMRECY-UHFFFAOYSA-N 299.315 1.862 0 50 CDAA C[C@@H](NC(=O)C1Cc2ccccc2C1)c1n[nH]c(=N)s1 1857686167 KOFNEEKIGXWHRT-MRVPVSSYSA-N 288.376 1.543 0 50 CDAA NC(=O)[C@H](CO)n1ccnc1-c1coc(-c2ccccc2)n1 1857703554 MTIYEJKJKILCTE-LBPRGKRZSA-N 298.302 1.224 0 50 CDAA CO[C@@H]1CN(C)C[C@H]1n1ccnc1-c1cccc(C)n1 1857716509 BOHFDDOWHBRUDU-ZIAGYGMSSA-N 272.352 1.755 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCc2ccccn2)C1 236443221 ZPCFFLLBTKOWNU-MNOVXSKESA-N 262.309 1.241 0 50 CDAA Cc1nc(NC(=O)CCc2nc(-c3ccccc3)no2)no1 1875246047 GLTWJQPNISZVBV-UHFFFAOYSA-N 299.290 1.999 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NCc1ncnn1C(C)(C)C 408469370 GOJSHCUASCASRB-WDEREUQCSA-N 280.372 1.464 0 50 CDAA COc1cccc([C@@H]2CN(CC3(CO)COC3)CCO2)c1 119263163 IJRPPZNOCREISX-HNNXBMFYSA-N 293.363 1.077 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)Cc1cscn1 257737022 XHTDJMNXYGJENX-SNVBAGLBSA-N 268.338 1.541 0 50 CDAA Cc1nc(-c2ccncc2)nc(N2CCN(C)C(=O)C2)c1C 156631207 USPKGMOBOYZQAA-UHFFFAOYSA-N 297.362 1.434 0 50 CDAA CCc1ccc(CNC(=O)CN2CC[C@@H](C(=O)O)C2)s1 262681766 WJUYAFAPXUSSMB-SNVBAGLBSA-N 296.392 1.333 0 50 CDAA Cc1nonc1C(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C 265154942 XVJCAVAVCFSVQS-GXFFZTMASA-N 287.319 1.980 0 50 CDAA O=C(NCc1cccnc1)c1ccnn1C1CCC1 929152793 ZZYYTHUZPHNPIA-UHFFFAOYSA-N 256.309 1.933 0 50 CDAA C[C@]1(C(=O)NCCn2ccnn2)CCOc2ccccc21 935323071 LRKHEFMWLYYXIK-HNNXBMFYSA-N 286.335 1.135 0 50 CDAA FC(F)(F)c1cc(Br)cn2nnnc12 1857787049 ACTWGTJJWIGGSQ-UHFFFAOYSA-N 267.008 1.906 0 50 CDAA Cc1noc([C@@H]2CCc3nnn(C4CCOCC4)c3C2)n1 952893954 KXNPWWGPLXIERP-SNVBAGLBSA-N 289.339 1.594 0 50 CDAA COc1cccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC2=O)c1 1875278889 SOIMGGSTMCICTP-KBPBESRZSA-N 290.363 1.267 0 50 CDAA O=C(NCc1ccc2c(n1)CCC2)NC[C@@]12COC[C@@H]1C2 1875295241 UYTWDUOBYFBBTR-LRDDRELGSA-N 287.363 1.406 0 50 CDAA CCc1cc(N(C)CCc2nccc(O)n2)ncn1 1875288018 KOAGCRZDFRTNFZ-UHFFFAOYSA-N 259.313 1.214 0 50 CDAA COC(=O)/C=C/CNC(=O)COc1ccc2c(c1)CCC2 1875312087 SGJXIZMITGUEAJ-ZZXKWVIFSA-N 289.331 1.400 0 50 CDAA C[C@H](NC(=O)c1c[nH]nc1C1CCOCC1)c1cn[nH]c1 886088073 JQLIMQYFXXPCAT-VIFPVBQESA-N 289.339 1.518 0 50 CDAA O=C(CCc1ccncc1)N[C@@H]1C[C@@H](O)C12CCOCC2 887023597 ISWLNTFXUGVBRI-ZIAGYGMSSA-N 290.363 1.060 0 50 CDAA Cc1nnc(CC(=O)N2COCC[C@H]2c2ccccc2)o1 888194185 GGKKRAXKCXHDFG-ZDUSSCGKSA-N 287.319 1.868 0 50 CDAA CC(C)c1cncc(NC(=O)[C@H]2CCCNC2=O)c1 888236691 BUPXLWCEFIGWQA-LBPRGKRZSA-N 261.325 1.670 0 50 CDAA CNc1cc(N2CCC[C@@H](n3nc(C)nc3C)C2)ncn1 892387891 XAQPUEOYEAYOCU-GFCCVEGCSA-N 287.371 1.568 0 50 CDAA Cc1noc2ncnc(N[C@@H](CO)Cc3cncs3)c12 894965981 NWDRLNJVKMQLRY-MRVPVSSYSA-N 291.336 1.398 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H](c2nccs2)C1 237911665 OXRXGJYDBGWIHJ-HBNTYKKESA-N 281.381 1.170 0 50 CDAA c1ccc2c(c1)CC[C@H](NCCCN1CCOCC1)C2 23283149 PJSGTWUZEKFVHJ-KRWDZBQOSA-N 274.408 1.856 0 50 CDAA O=C(O)C[C@@H]1CCCN(C(=O)c2ccncc2)CC1 257697372 NPVYDEPJNAUJKQ-LLVKDONJSA-N 262.309 1.799 0 50 CDAA C[C@H]1C[C@@H](C(=O)NC2(C(=O)O)CCCCC2)CCO1 262621931 GTXCUPBEOGIAKJ-QWRGUYRKSA-N 269.341 1.705 0 50 CDAA CCc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 193347785 HWOYFSMOOZDOOU-NSHDSACASA-N 283.349 1.344 0 50 CDAA Fc1ccc(CN2CCN3CCOC[C@@H]3C2)cc1Cl 328587411 OHECLRAFVCAPQX-LBPRGKRZSA-N 284.762 1.996 0 50 CDAA O=S(=O)(CC1CCCC1)NCCc1ncc[nH]1 584894010 OXRMDNOESSKFGX-UHFFFAOYSA-N 257.359 1.062 0 50 CDAA Cn1cc(Cc2noc([C@@H]3CCC[C@H](N)C3)n2)cn1 904577838 RUJOOTNNESVZQE-MNOVXSKESA-N 261.329 1.379 0 50 CDAA Cc1[nH]nc2c(C(=O)N3CC(C(=O)N(C)C)C3)cccc12 2325792717 HSTKLQDOBWPMSB-UHFFFAOYSA-N 286.335 1.032 0 50 CDAA Cc1oncc1COc1ccc(S(=O)(=O)N(C)C)cc1 126252206 PCEFVBHEYHPKIR-UHFFFAOYSA-N 296.348 1.812 0 50 CDAA C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCSC1=O 182422 DBGQJWYUVHXJQX-MWLCHTKSSA-N 265.334 1.602 0 50 CDAA CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 357487 VEZLOIGXRVNIPX-UHFFFAOYSA-N 298.364 1.056 0 50 CDAA CC(CO)(CO)NC(=O)c1ccc(Cl)cc1Cl 407546 NXQBOYLGXOOMFT-UHFFFAOYSA-N 278.135 1.467 0 50 CDAA CCO[C@@]12NC(=O)CC(=O)N1C(c1ccccc1)=CS2 457451 YMDGENNTWOQAIM-CQSZACIVSA-N 290.344 1.728 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC 473599 HYGKDUJVCFVEKR-LBPRGKRZSA-N 292.360 1.661 0 50 CDAA CC(C)C[C@](CO)(NC(=O)c1ccccc1)C(=O)O 2387091 FKUCELLBHQAFFX-CQSZACIVSA-N 265.309 1.278 0 50 CDAA COc1cc(OC)c([C@H](N)C(=O)O)cc1Br 2582487 IKPNHXLJZXMYIB-VIFPVBQESA-N 290.113 1.551 0 50 CDAA CCOCCCNC(=O)Cc1ccc(OC)c(OC)c1 2735199 MUCMPHYPTNRDQE-UHFFFAOYSA-N 281.352 1.789 0 50 CDAA COC(=O)c1ccc(OCC(=O)NC2CCCC2)cc1 3377675 VRTUBJCBOFROFK-UHFFFAOYSA-N 277.320 1.911 0 50 CDAA CCOCCC(=O)Nc1nnc(SCCOC)s1 4384640 FEMOCYXYOBCCKO-UHFFFAOYSA-N 291.398 1.642 0 50 CDAA CCCS(=O)(=O)N1CCC(C(=O)N[C@H](C)CC)CC1 4712044 QOBOCJCVDYUSEQ-LLVKDONJSA-N 290.429 1.353 0 50 CDAA COc1ccc(NC(=O)N2CCC[C@H](C(N)=O)C2)cc1 4866172 AOMMAQWDMIFMDJ-JTQLQIEISA-N 277.324 1.424 0 50 CDAA O=C1c2c(O)cc(O)cc2O[C@@]1(O)Cc1ccc(O)cc1 6092955 LOFYFDPXORJJEE-HNNXBMFYSA-N 288.255 1.310 0 50 CDAA biogenic COc1ccc(CCCNC(=O)CC(C)(C)N)cc1OC 225470928 SLYXXQGVTVAPSO-UHFFFAOYSA-N 294.395 1.880 0 50 CDAA CCOCc1nc(N)[nH]c(=O)c1Cc1ccc(OC)cc1 9348933 CPDUDEJUZCWXLI-UHFFFAOYSA-N 289.335 1.488 0 50 CDAA CC(C)N1CCNC(=O)[C@H]1CC(=O)OCc1ccccc1 54961288 OYISIIHNRAIOBJ-CQSZACIVSA-N 290.363 1.329 0 50 CDAA CC(C)[C@@H](C)N(Cc1ccco1)C(=O)CS(C)(=O)=O 55226613 KWJNPJNJGWJWCY-LLVKDONJSA-N 287.381 1.697 0 50 CDAA CC(=O)NC1CN(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)C1 248891243 YZPSPCFYIDHBHR-MYBUGEPTSA-N 291.395 1.341 0 50 CDAA CC(C)N(Cc1nccn1C)C(=O)[C@H]1CCOC1 67755106 PZDVFZILXOLYOD-NSHDSACASA-N 251.330 1.194 0 50 CDAA O=C(COCC1CC1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253395602 FKACYHNCZGOSPW-ZNMIVQPWSA-N 281.396 1.955 0 50 CDAA O=S(=O)(CC1CC1)N[C@@H](c1cccnc1)C1CC1 328819522 PMDBDRUXMKFQRG-CYBMUJFWSA-N 266.366 1.862 0 50 CDAA CCN(CCNC(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C 229434787 QBVCXRYSWZSAIN-STQMWFEESA-N 271.405 1.536 0 50 CDAA OCc1cc(CO)c(O)c(CCc2ccccc2)n1 212950 LAMXPLMFHLCICW-UHFFFAOYSA-N 259.305 1.557 0 50 CDAA biogenic C[C@@H]1CCCC[C@H]1OCCN1CCO[C@@H](CN(C)C)C1 230232328 GNZGUMMPJIJLEQ-OWCLPIDISA-N 284.444 1.844 0 50 CDAA CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 328694902 CZGDPMLESCQHDL-FRRDWIJNSA-N 285.409 1.458 0 50 CDAA C[C@H](CN1CCOCC1)N(C)C[C@@H]1CCc2nccn2C1 328645667 SGJLICANBTWKAK-CABCVRRESA-N 292.427 1.098 0 50 CDAA c1cn(CCNc2cc(N[C@H]3CCCOC3)ncn2)cn1 328655000 XXNOVCMDSXOYMK-LBPRGKRZSA-N 288.355 1.376 0 50 CDAA CS[C@H](C)CC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328626746 MASBZSRJJKGHGB-MNOVXSKESA-N 282.413 1.366 0 50 CDAA CN[C@H]1CCCN(C(=O)C[C@H](C)c2ccncc2)C1 150992674 AVDUARDJTFIVCW-JSGCOSHPSA-N 261.369 1.786 0 50 CDAA C[C@H](NS(=O)(=O)CCC1CCC1)c1ccon1 329861139 XSONJTMCRKMMTA-VIFPVBQESA-N 258.343 1.845 0 50 CDAA CS(=O)(=O)C[C@H](NCc1cc[nH]n1)c1ccccc1 154952229 KUDCZQPMPWJGCT-ZDUSSCGKSA-N 279.365 1.285 0 50 CDAA COCc1ccc([C@H]2CCCN2Cc2cn(C)nn2)o1 331431908 UFNDMRAFZOVFCU-CYBMUJFWSA-N 276.340 1.892 0 50 CDAA CN(C)c1ccncc1C(=O)N1CC[C@](O)(C2CC2)C1 365876482 KCHREIGKAZCUEY-OAHLLOKOSA-N 275.352 1.135 0 50 CDAA Cc1ocnc1C(=O)N1C[C@@H](C)NC(=O)c2ccccc21 367798656 APRFGFKYNSTCHI-SECBINFHSA-N 285.303 1.762 0 50 CDAA CNc1cc(N2CCC[C@@H]2CNc2ncc(C)cn2)ncn1 126233534 ZXCBZYNJANDIOP-GFCCVEGCSA-N 299.382 1.698 0 50 CDAA Cc1cc(N2CCc3ncsc3C2)n2ncnc2n1 445675842 ZQUPSZWPSAWXCY-UHFFFAOYSA-N 272.337 1.452 0 50 CDAA Cn1nccc1NC(=O)N1CC[C@H](CN2CCCCC2)C1 157638070 UWAYJLJABKSLRJ-CYBMUJFWSA-N 291.399 1.760 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)/C=C/C2CCCCC2)CCO1 238046453 SHUAUAFBSIEUKX-YBJDMEARSA-N 281.352 1.825 0 50 CDAA OC[C@H]1C=C[C@@H](N=c2[nH]c(Cl)nc(Cl)c2F)C1 521398556 OAZKWKCOVWLXHQ-NTSWFWBYSA-N 278.114 1.693 0 50 CDAA CC(C)(C)C(=O)N1CCC(n2cc(C(C)(C)N)nn2)CC1 48307215 IEYNDECCDRQLKH-UHFFFAOYSA-N 293.415 1.682 0 50 CDAA CCn1c(SC[C@H]2COC(=O)N2)nnc1-c1ccco1 496680419 IGNKAVKOHUBXHE-MRVPVSSYSA-N 294.336 1.759 0 50 CDAA O=C(CCn1cccn1)NC[C@@H]1COc2ccccc2C1 42724615 YQDRCGDGRXVTJK-CYBMUJFWSA-N 285.347 1.641 0 50 CDAA O=C(CCCc1ccc(Cl)cc1)N[C@@H]1COCC[C@H]1O 222426657 FKGUHDYGWJQEQC-ZIAGYGMSSA-N 297.782 1.929 0 50 CDAA O=C(O)[C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 49859558 JQBKUYNVFVJCIA-JTQLQIEISA-N 267.712 1.816 0 50 CDAA Cn1nccc1NC(=O)Cn1ccc(-c2cccs2)n1 48155935 PKQDBBMAWCILHU-UHFFFAOYSA-N 287.348 1.984 0 50 CDAA CCc1oc(C(=O)N2CCO[C@H](COC)C2)cc1C 177741704 GUSFNNNMUTVKLH-NSHDSACASA-N 267.325 1.638 0 50 CDAA O=C(NCCc1cnn[nH]1)c1[nH]cnc1-c1ccccc1 426615576 RBPOQSVCPVLDDT-UHFFFAOYSA-N 282.307 1.167 0 50 CDAA O=C(c1cncn1-c1ccc(F)cc1)N1CCNCC1 178342484 XKNSTMNWNACPOQ-UHFFFAOYSA-N 274.299 1.057 0 50 CDAA OCc1c(F)cccc1I 91252034 ZMLMVTDRUORFDB-UHFFFAOYSA-N 252.026 1.923 0 50 CDAA CCn1cc(Cl)c(C(=O)NCCc2nnc(C)s2)n1 426746063 HSJGPZJORNRFIM-UHFFFAOYSA-N 299.787 1.689 0 50 CDAA CNc1cc(C)nc(N2CC[C@@](O)(CCOC)[C@H](C)C2)n1 91987901 QWBUMCCSLIGMLI-IAQYHMDHSA-N 294.399 1.441 0 50 CDAA CCc1n[nH]c(C(=O)NC(C)(C)c2nnc(N)s2)c1C 97347350 XLDUDOZOSKGPSS-UHFFFAOYSA-N 294.384 1.379 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](CN)C1 178573136 BHEQMCGDGXCKAM-SNPRPXQTSA-N 258.365 1.906 0 50 CDAA CC(C)n1cc(CN2CC[C@@H](N3CCN(C)CC3)C2)cn1 97594947 ARGFFVGVQRSCKQ-MRXNPFEDSA-N 291.443 1.286 0 50 CDAA Cc1ccc2nc(C(=O)N[C@H]3C(=O)NCC[C@@H]3C)ccc2c1 293555474 HMTRQGKEDAQTMJ-XHDPSFHLSA-N 297.358 1.798 0 50 CDAA CSCC[C@H](NC(=O)c1n[nH]c(C)c1Cl)C(=O)O 426536541 RZQGWABVAWWGDP-LURJTMIESA-N 291.760 1.308 0 50 CDAA Cn1cc(CCCNc2nc(CO)nc3ccccc23)cn1 95370345 RZTYFXMMDJKNBP-UHFFFAOYSA-N 297.362 1.900 0 50 CDAA CC[C@H](C)Cc1nc(C2CCOCC2)nn1CC(=O)O 97425210 HQAUOUXOBYYGRK-JTQLQIEISA-N 281.356 1.845 0 50 CDAA CC(=O)N1CCN(Cc2cc3ccccc3o2)C[C@H](O)C1 91254594 STIMRWKRRCJHDM-AWEZNQCLSA-N 288.347 1.458 0 50 CDAA Cn1ccnc1-c1ccc(N2C[C@H](C3CC3)[C@@H](N)C2)nn1 95374269 NCQWSRFLQPUOGO-NEPJUHHUSA-N 284.367 1.051 0 50 CDAA CNC(=O)CN1CCC[C@](CO)(CC=C(C)C)C1 91548464 UBKALUMZBDTHQG-AWEZNQCLSA-N 254.374 1.163 0 50 CDAA O=C(O)CCOCCOCCOCc1ccccc1 95495772 QCNCDLBZNNIXAQ-UHFFFAOYSA-N 268.309 1.711 0 50 CDAA CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC 238237814 ZVYNNXJISKMFMX-SNVBAGLBSA-N 272.345 1.101 0 50 CDAA CN(C)c1ccccc1-c1cnn(CCC(N)=O)c1 96163875 SMMOLYROSHRVLT-UHFFFAOYSA-N 258.325 1.492 0 50 CDAA C[C@H](c1ccon1)N(C)Cc1cnn(CCC(=O)O)c1 97815560 GMGOEDKZMUCCLO-SNVBAGLBSA-N 278.312 1.539 0 50 CDAA CC1(C)OC(=O)C([C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)C(=O)O1 245227273 JHFQCKGGHXOIDZ-LHBQTMGTSA-N 288.343 1.833 0 50 CDAA CN1CCN2CCN(C/C=C/c3ccc(F)cc3)C[C@H]2C1 248114252 IGKFSSCAKVZJFG-RCAFFNEUSA-N 289.398 1.771 0 50 CDAA CC(C)[C@@H](Oc1ccc(F)cc1F)C(=O)N1CC[C@@H](N)C1 299738954 ITXMYRGMCPTXMT-BXUZGUMPSA-N 298.333 1.928 0 50 CDAA CSc1ncc(CNC(=O)CSCC2CC2)n1C 244734960 NQOUABVEQDNIBF-UHFFFAOYSA-N 285.438 1.901 0 50 CDAA CC(C)[C@H](C(=O)N(C)[C@@H](C)C(=O)O)N1CCCCC1 299751054 PINPJVLMIMVWQQ-NWDGAFQWSA-N 270.373 1.428 0 50 CDAA O=C(CCCN1CCCC1=O)NCCCc1nccs1 252482895 DPWTUJFWMRPXNV-UHFFFAOYSA-N 295.408 1.595 0 50 CDAA CCn1ccc2c(CN3CCO[C@H](C(=O)O)C3)cccc21 534577736 BMCOVMLYIKIIJD-HNNXBMFYSA-N 288.347 1.947 0 50 CDAA CC(C)C[C@@H](NC(=O)CCn1cccn1)c1ncnn1C 534586741 HQZGWBGBNWCBMD-GFCCVEGCSA-N 290.371 1.305 0 50 CDAA CN(Cc1cccnc1)C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534651739 XKSFGROBQLHPJZ-CHWSQXEVSA-N 288.351 1.043 0 50 CDAA CC(C)Cn1cncc1CNC(=O)CCC(=O)O 534591943 PWOHOGCKCNTOPL-UHFFFAOYSA-N 253.302 1.020 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccncc1Cl 534639231 QPKDUWKWKINIHY-QWRGUYRKSA-N 270.716 1.269 0 50 CDAA COc1ccccc1CCN1C(=O)CC[C@@H]2CNCC[C@@H]21 299788431 PFNMLDSKNRFSEM-CABCVRRESA-N 288.391 1.838 0 50 CDAA Cc1nonc1CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 299776194 LPGKGYCHWFUXNP-SNVBAGLBSA-N 275.312 1.050 0 50 CDAA CCc1nc(C)c(CNC(=O)c2csc(N)n2)s1 299787642 XYINYZMJORMLNT-UHFFFAOYSA-N 282.394 1.983 0 50 CDAA O=C(NCCc1cn[nH]c1)c1ccc(CN2CCCC2)o1 828166420 GSPRUOAMZGYZLS-UHFFFAOYSA-N 288.351 1.571 0 50 CDAA CC(=O)N[C@@H](C)Cc1nc(C)nn1Cc1ccc(F)cc1 821477569 FUQMYXLZZCEBEH-JTQLQIEISA-N 290.342 1.841 0 50 CDAA COc1ccc(CCNC(=O)[C@@H](C)Cn2cncn2)cc1 824664738 FEPGNGNHVFONED-LBPRGKRZSA-N 288.351 1.282 0 50 CDAA Cc1ocnc1C(=O)NCCc1noc(C(C)C)n1 584892260 FIZUDVCJTKGTDW-UHFFFAOYSA-N 264.285 1.462 0 50 CDAA C[C@H]1CC[C@H](c2ccc(NS(C)(=O)=O)cc2)CN1 757216176 YFZMMQOOIVEXHT-JQWIXIFHSA-N 268.382 1.914 0 50 CDAA Cc1cccnc1N(C)C(=O)c1ccc(Cn2ccnn2)o1 1520465053 ZIMNRBFZFQMWDL-UHFFFAOYSA-N 297.318 1.899 0 50 CDAA CN1CCC(NC(=O)c2nc[nH]c2C(F)(F)F)CC1 1440643086 BRUJWYSFNIXRTM-UHFFFAOYSA-N 276.262 1.253 0 50 CDAA CCC1=NO[C@H](CN(C)CCCn2cccn2)C1 244724405 MTGRIRCEVJSWJF-ZDUSSCGKSA-N 250.346 1.760 0 50 CDAA c1cnn(Cc2ccc(CN3C[C@H]4CCN[C@H]4C3)cc2)c1 1565528373 GJOULWHOEBBBRF-SJORKVTESA-N 282.391 1.725 0 50 CDAA CC(C)[C@H]1CN(Cc2ccncc2)C[C@@H]1NC(=O)N(C)C 1565512978 GBUKCYCILQWPOT-CABCVRRESA-N 290.411 1.809 0 50 CDAA CN(C)Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)o1 1565515182 HKCWOSWQLPHKNC-OLZOCXBDSA-N 291.395 1.507 0 50 CDAA c1cnc(N2C[C@H]3CC[C@@H](C2)N(Cc2ncc[nH]2)C3)cn1 1565507948 DCQMGZMDKAUQMP-STQMWFEESA-N 284.367 1.301 0 50 CDAA Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC[C@H](N)C1 269215434 JSNJIIRXFLSJHM-MBNYWOFBSA-N 262.353 1.272 0 50 CDAA Cc1nc2c(c(=O)[nH]1)CN(C(=O)OC(C)(C)C)CC2 95496030 BWMFMDSXGIDYGG-UHFFFAOYSA-N 265.313 1.372 0 50 CDAA in-vitro CC(C)(C)OC(=O)N[C@H]1CCc2nc(N)ncc2C1 95705224 ADZQBEXWLVQODS-VIFPVBQESA-N 264.329 1.441 0 50 CDAA in-vitro Cn1cnc(CN[C@H](CCO)C2CCCCC2)c1 170616897 PUOCXOPKODGEFY-CQSZACIVSA-N 251.374 1.841 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2ccncc2)C[C@H]1C 187897331 AYTJWFPNYOLDMX-PWSUYJOCSA-N 262.309 1.353 0 50 CDAA CCc1[nH]ccc1C(=O)N1C[C@H](OC)C[C@H]1c1ncc[nH]1 644121326 HDHZNJGACBYGKA-MFKMUULPSA-N 288.351 1.902 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(Cc2ccccc2OC)CC1 191431301 PVABQAHHKFSNCY-AWEZNQCLSA-N 292.379 1.676 0 50 CDAA COc1cncc(/C=C/CCN(C)CCCO)c1 582000225 DIYJVJFJNXANMW-ZZXKWVIFSA-N 250.342 1.808 0 50 CDAA OC1(c2ccc(F)cc2)CN(c2ncnc3nc[nH]c23)C1 192782929 SRUAFGVFROGSRT-UHFFFAOYSA-N 285.282 1.200 0 50 CDAA CNS(=O)(=O)c1cc(NC(=O)C=C(C)C)ccc1O 585083157 ZVDJYSZAEAFNQW-UHFFFAOYSA-N 284.337 1.205 0 50 CDAA Cc1ccc(-c2noc([C@@H]3CN(C)C(=O)N3)n2)cc1 585133343 FYACIASEHWJIQR-JTQLQIEISA-N 258.281 1.741 0 50 CDAA COc1ccc(NC(=O)N2CC(CN(C)C)C2)cc1 585118879 GPLHUPUEUVGCSU-UHFFFAOYSA-N 263.341 1.721 0 50 CDAA CN(C)CCc1ccc(NC(=O)[C@]2(C)CCNC2=O)cc1 585121007 BOYXLHZFUFCUEW-MRXNPFEDSA-N 289.379 1.255 0 50 CDAA Cc1ncccc1CNC(=O)[C@]12CCC[C@H]1NCC2 711289892 BJDGHXLVKUJGEU-HIFRSBDPSA-N 259.353 1.538 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNC(=O)NCC2CC2)C1(C)C 195578216 NYFYVHHWXUPHDK-BXUZGUMPSA-N 270.373 1.262 0 50 CDAA Cc1ccc(C(=O)N2CC3CCC2(CN)CC3)n1C 569702866 LQMRFGXRTFBQCQ-UHFFFAOYSA-N 261.369 1.677 0 50 CDAA CC1=CCN(C(=O)c2cccc(-c3nn[nH]n3)c2C)CC1 1609151557 LLGPSDWXDSROTK-UHFFFAOYSA-N 283.335 1.967 0 50 CDAA Cc1cccc2oc(C(=O)NC3(C(N)=O)CCC3)cc12 1614998919 ILZXPNDORKLDOT-UHFFFAOYSA-N 272.304 1.879 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1cccc3c1CCOC3)C2 1615546395 NVAZIGNALYMRNE-OFWKBQFLSA-N 272.348 1.369 0 50 CDAA C[C@H](NC(=O)OCC(F)(F)F)c1nn(C)cc1O 1615585720 CCXZBCJZOGMWTI-YFKPBYRVSA-N 267.207 1.475 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CC(C(C)=O)C2)cc1C 1616037019 AARCFIPYMCRIJN-UHFFFAOYSA-N 297.376 1.603 0 50 CDAA Cc1cc(O)nc(CNc2nc(C(F)(F)F)ns2)n1 1548453314 FEYIDXDYWHWLSD-UHFFFAOYSA-N 291.258 1.973 0 50 CDAA OCC1CCN([C@H]2CCN(c3ccccc3)C2)CC1 1506412505 ZHLDQLCMXUMVIE-INIZCTEOSA-N 260.381 1.970 0 50 CDAA Cc1cc2nc(CN(C)C(=O)c3cnc(O)[nH]3)[nH]c2cc1C 1506428929 ZNBPSJRLFJZIIE-UHFFFAOYSA-N 299.334 1.881 0 50 CDAA COC[C@@H](c1ccccn1)N(C)Cc1cncnc1 1506403762 NQUOIUPIOXRNEF-AWEZNQCLSA-N 258.325 1.691 0 50 CDAA Cc1cc(N)n(CC(=O)N(C)Cc2ccsc2)n1 1857694505 CRBGLWSFPIOIOI-UHFFFAOYSA-N 264.354 1.494 0 50 CDAA C[C@@H]1CNCCN1C(=O)[C@H]1CCOc2ccccc21 111188999 DGIVSORBBMSFHR-YPMHNXCESA-N 260.337 1.373 0 50 CDAA CNC(=O)c1cccnc1N[C@@H]1CCC[C@H]1N(C)C 1704302904 DCBWWVNZUZKFIP-VXGBXAGGSA-N 262.357 1.336 0 50 CDAA CO[C@@H]1CCN(c2nnc(-c3ccccn3)s2)C1 329514526 LVZBYNHEZBKHCW-SECBINFHSA-N 262.338 1.825 0 50 CDAA CN(CC(=O)O)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl 237154846 WZIPXEVTESPYNK-ZJUUUORDSA-N 267.712 1.987 0 50 CDAA Nc1cc(I)ccc1C(=O)O 16696812 KWIIUIVETQQQHX-UHFFFAOYSA-N 263.034 1.572 0 50 CDAA in-vitro O=C(O)[C@H]1CN(Cc2ccncc2)CC12CCOCC2 1800413813 IVAHNNMAUDUQDC-CYBMUJFWSA-N 276.336 1.395 0 50 CDAA O[C@H]1CN(c2ncc(F)cn2)C[C@H]1Cc1ccncc1 1704338358 SHIBAZCOUGLLKF-YPMHNXCESA-N 274.299 1.051 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1C1CC1 262669152 QDORBNFPJKQKDC-BDAKNGLRSA-N 279.258 1.898 0 50 CDAA COc1ccc(/C=C2\SC(=N)NC2=O)c(OC)c1OC 1202728 VFYPUZSVYRVWPI-TWGQIWQCSA-N 294.332 1.851 0 50 CDAA CN(C)c1nc(NC2(C(=O)O)CCCC2)ncc1F 1772703495 XPIWTOMGJNGXBF-UHFFFAOYSA-N 268.292 1.491 0 50 CDAA CCCC[S@](=O)C[C@H](COC(C)C)OC(C)=O 5102564 NBEBVGRORGVLIO-YVEFUNNKSA-N 264.387 1.892 0 50 CDAA Cc1cc(C(=O)O)c2c(=O)[nH]c(=O)n(-c3ccccc3)c2n1 11567636 ZQUOKVPICXEXSP-UHFFFAOYSA-N 297.270 1.081 0 50 CDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCCCN1CCCC1=O 12343473 PMFGICCOQLNWPC-VXGBXAGGSA-N 296.367 1.006 0 50 CDAA C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(N)=O)CC1 12380349 LHTYRZVHROMAOV-JTQLQIEISA-N 294.326 1.317 0 50 CDAA CC(C)(C)CN1CCC[C@](O)(CNC2CCCC2)C1=O 12596674 MFYKETKMSCUGIG-INIZCTEOSA-N 282.428 1.918 0 50 CDAA O=C(CSc1ncn[nH]1)NCCOc1ccccc1 13118343 ADTKMDYIDSYJKM-UHFFFAOYSA-N 278.337 1.092 0 50 CDAA CC[C@H](C(=O)NC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13715992 YLXOTZJKKOGKIA-CYBMUJFWSA-N 298.408 1.594 0 50 CDAA C[C@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)n1cnnn1 1857525728 PFZFVLWDHKSPRA-SNVBAGLBSA-N 296.334 1.300 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(Cc2noc(C(C)(C)C)n2)C1 332683182 KENVMMLNLLQKDB-IUCAKERBSA-N 282.344 1.492 0 50 CDAA C[C@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2O)[C@H]1C 119282843 UBIQMELPDSUYOO-UWVGGRQHSA-N 288.351 1.935 0 50 CDAA CN1CCN(C(=O)C2=CCCC2)C[C@@H]1c1nccn1C 328619685 GCHMABHNLVLBMP-CYBMUJFWSA-N 274.368 1.346 0 50 CDAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccco2)n1 124322719 RRPHTZVGOYLLOT-HTQZYQBOSA-N 292.316 1.854 0 50 CDAA Cc1nc2ccc(N3CCC[C@@H]([C@H]4CCNC4)C3)nn2n1 333848739 MWRBMSKUAICTES-QWHCGFSZSA-N 286.383 1.259 0 50 CDAA Cc1ccc(F)c(OCC(=O)NC2(C(=O)O)CCC2)c1 237771416 PANPFHOUHWGEEL-UHFFFAOYSA-N 281.283 1.636 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1C[C@H]1C1CC1 548340779 HIABIZJSAQVGEA-CYDGBPFRSA-N 275.352 1.412 0 50 CDAA CC1(C)C[C@](C)(NC(=O)C[C@H]2C=CCC2)C(=O)O1 820554495 URUYTXLZMMNERS-HZMBPMFUSA-N 251.326 1.943 0 50 CDAA COC(=O)c1cncc(NC(=O)CCCCC(=O)O)c1 863981920 VLMMKLVIWOIBHK-UHFFFAOYSA-N 280.280 1.452 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H]1CCc2ccc(F)cc2O1 1875273013 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CCc1onc(C)c1C(=O)N1C[C@H](O)C2(CC2)C1 336545626 NCJKNYMSNDRWLJ-JTQLQIEISA-N 250.298 1.142 0 50 CDAA Cc1cc(C)n(-c2ccc(N3CCOCC3)nn2)n1 91291 GVLONADNZUMIGN-UHFFFAOYSA-N 259.313 1.116 0 50 CDAA c1cnc2nc(N3CC[C@@H](c4nc[nH]n4)C3)ncc2c1 2325761510 IAZVECOISRVABN-SNVBAGLBSA-N 267.296 1.137 0 50 CDAA COc1ccc(C)c(OC)c1CNC[C@]1(C)COCCO1 2325788447 HBQPTRWKRGHLQA-MRXNPFEDSA-N 295.379 1.907 0 50 CDAA O=C(CCc1cc[nH]n1)N[C@@H](C(=O)O)[C@@H]1CC=CCC1 2325788619 SKNASIJECXDRFI-ZWNOBZJWSA-N 277.324 1.268 0 50 CDAA O=C(c1coc(O)n1)N1CCCCC[C@H]1c1ncon1 2325821573 ZJLYLDYLYGWHJL-VIFPVBQESA-N 278.268 1.521 0 50 CDAA COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)CS2)c1 146775 GKKMNMNGFBXVQW-GXSJLCMTSA-N 269.322 1.492 0 50 CDAA CC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 2870510 JRYGPXHLJBIOGJ-UHFFFAOYSA-N 274.364 1.604 0 50 CDAA CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 6730758 GPGBRQVFFZMNKI-ZWNOBZJWSA-N 296.392 1.968 0 50 CDAA CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O)c1ccccc1 6882741 NONUVMOXNPGTBK-WDEREUQCSA-N 281.308 1.698 0 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HXQKAXRBEOIRTK-UHFFFAOYSA-O 267.268 1.242 0 50 CDAA CN(Cc1[nH]nc2c1CCCCC2)C(=O)c1c[nH]nn1 72153563 IEGXQCYNOZEYDH-UHFFFAOYSA-N 274.328 1.069 0 50 CDAA CO[C@H](C(=O)NCCn1cccn1)c1ccccc1 214958342 NKQWPVSLDCKFNW-ZDUSSCGKSA-N 259.309 1.387 0 50 CDAA CC[C@H](O)C(=O)NCCOc1ccccc1Cl 71763112 CUMSUIOLJFEXDM-JTQLQIEISA-N 257.717 1.606 0 50 CDAA CN(CCC(=O)O)Cc1ccccc1N1CCOCC1 262018268 ADVFATYQOJYPRE-UHFFFAOYSA-N 278.352 1.430 0 50 CDAA COC[C@@H]1CCCCN1C(=O)NCc1snnc1C 334085401 LRVRKKVNEUVDHZ-JTQLQIEISA-N 284.385 1.557 0 50 CDAA Cc1cccnc1[C@H](C1CC1)n1cnc2cn(C)nc2c1=O 72162794 OEPVHGWQWGCQKQ-HNNXBMFYSA-N 295.346 1.833 0 50 CDAA COc1c(F)ccc(F)c1C(=O)N1CCN2CCC[C@@H]2C1 334779579 LHMGAMHLYBJYGW-SNVBAGLBSA-N 296.317 1.894 0 50 CDAA CC[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 241439859 NMXMATKTBOXEKV-ZETOZRRWSA-N 295.383 1.402 0 50 CDAA Cc1cc(N2C[C@H](C)N(CCO)[C@H](C)C2)nc(C(C)C)n1 450792080 NHXALNFZCFFELB-OKILXGFUSA-N 292.427 1.800 0 50 CDAA CN(C)CCCNC(=O)N(CCO)Cc1ccccc1F 426641395 QWGIPWIJHVROOZ-UHFFFAOYSA-N 297.374 1.281 0 50 CDAA CCCO[C@H](C)C(=O)NCCn1nc(C)c(CC)c1C 223037182 LVLIYDRBKLIBMV-CYBMUJFWSA-N 281.400 1.994 0 50 CDAA O=C(NC[C@H]1CCCOC1)c1cc(C(F)F)[nH]n1 426521199 ILSVUYCERMAALF-SSDOTTSWSA-N 259.256 1.504 0 50 CDAA CCN(Cc1nc(COC)no1)C(=O)[C@@H](C)n1ccnc1 426621659 MCWZSTYNOIOSKA-SNVBAGLBSA-N 293.327 1.022 0 50 CDAA CCc1ccc(C(=O)N(C)C2CCS(=O)(=O)CC2)[nH]1 426724042 UJEHUVXQQDXQEY-UHFFFAOYSA-N 284.381 1.226 0 50 CDAA COCCN(CC1CC1)C(=O)c1c(C)[nH]c(C)cc1=O 426693696 HWVCIEBWNQVLSV-UHFFFAOYSA-N 278.352 1.490 0 50 CDAA CC1=CCN(C(=O)Cc2ccc(-n3nnnc3C)cc2)CC1 426580901 BYCLIDBOGHUAMC-UHFFFAOYSA-N 297.362 1.692 0 50 CDAA CN(C)c1nc(CNC(=O)C[C@H]2CCOC2)cs1 426711518 WZFYVQYKVVFIBU-SECBINFHSA-N 269.370 1.252 0 50 CDAA Cc1cc(CN(C)C(=O)c2cc(=O)cc(C)[nH]2)ccn1 426512064 HZGIYJLEFNHKCY-UHFFFAOYSA-N 271.320 1.659 0 50 CDAA CC(C)n1ccc(C(=O)N(C)CCc2cnn(C)c2)n1 426409122 SXANAUQNVHCGHO-UHFFFAOYSA-N 275.356 1.512 0 50 CDAA O=C(c1ccc2cccc(F)c2n1)N1C[C@@H]2CNC[C@@H]2C1 97547428 PBFRBFXOFMMREO-TXEJJXNPSA-N 285.322 1.665 0 50 CDAA Cc1cc(NC(=O)N2CCOC[C@H](O)C2)ccc1F 97553384 HYOPAHIDIRHEJN-LLVKDONJSA-N 268.288 1.359 0 50 CDAA CC(C)N1C(=O)C(=O)N(Cc2cnc3ccccc3c2)C1=O 292667542 LGQSKGWMVXDMET-UHFFFAOYSA-N 297.314 1.934 0 50 CDAA CSCCCNC(=O)c1nn(C)c2c1CCCC2 97370349 KXLMPBQWDMYDHQ-UHFFFAOYSA-N 267.398 1.782 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@H]1CN(CC(=O)O)C[C@@H]1C(C)C 92097051 KSMAGLXNBRJFMM-OLZOCXBDSA-N 293.367 1.094 0 50 CDAA COC(=O)c1cncc(C(=O)N2C[C@H]3CCC[C@H]3C2)c1 535761214 LFFNKDFGKOZIKG-PHIMTYICSA-N 274.320 1.740 0 50 CDAA CCSCCNC(=O)c1cc(OC)cc(C(=O)O)c1 97099143 VLEGHAJQUJPCHK-UHFFFAOYSA-N 283.349 1.876 0 50 CDAA CC(=O)c1cc(C(=O)NCc2ccon2)cs1 96179668 FWBGQYISHQXZGA-UHFFFAOYSA-N 250.279 1.869 0 50 CDAA CNC[C@@H]1CCCN1C(=O)COc1ccccc1OC 237089123 PUZXWGIXWOOYFW-LBPRGKRZSA-N 278.352 1.284 0 50 CDAA COCC[C@H]1CCCCN1CCn1cc[nH]c1=O 244602012 DWBOUSYXIURSMX-GFCCVEGCSA-N 253.346 1.067 0 50 CDAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1Cc1ccccc1)[C@@H]42)[C@H]3O 244811359 SBMJODKIBJOTSH-LRMMUPRLSA-N 299.370 1.777 0 50 CDAA CC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C 255694154 JARSJBHQZSAXJA-GVXVVHGQSA-N 254.374 1.652 0 50 CDAA CCN(C)S(=O)(=O)NC1(c2cc(F)ccc2F)CC1 534649339 BSMKVHBOBVEJHP-UHFFFAOYSA-N 290.335 1.740 0 50 CDAA O[C@H](CCN1CCC2(CC1)CNCCO2)c1ccccc1 534651100 ORRSVNDXSZTLFL-MRXNPFEDSA-N 290.407 1.565 0 50 CDAA COCC(C)(C)CNC(=O)c1cc(=O)cc(C)o1 534652336 DOQALWXRJCOOBV-UHFFFAOYSA-N 253.298 1.351 0 50 CDAA CN(C)C(=O)c1ccc(N2CCC[C@@H](N(C)C)C2)nc1 264898357 VOCJVHGRAUKEMT-CYBMUJFWSA-N 276.384 1.314 0 50 CDAA CCCc1nc(CNC(=O)c2noc(C)c2CO)cs1 299783338 ZNSGBWWQCLSIBZ-UHFFFAOYSA-N 295.364 1.814 0 50 CDAA CSCCCN1CC[C@H]2[C@H](C1)OCc1cnnn12 299768828 QJLGEABQKGLXOO-RYUDHWBXSA-N 268.386 1.177 0 50 CDAA COc1ccc(NC(=O)NC[C@@H]2COCCO2)c(F)c1 299777499 NBYBIAHBXYLZNX-SNVBAGLBSA-N 284.287 1.371 0 50 CDAA COCC1CCN(C(=O)CCCN2CCCCC2=O)CC1 824371015 MOZWDCMBPUSNOJ-UHFFFAOYSA-N 296.411 1.664 0 50 CDAA CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H](O)CC2 828636995 UCBXMAZUIZONLO-SNVBAGLBSA-N 289.335 1.135 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cnc(NC(C)C)nc2)n[nH]1 821903021 NTUBCIUQQGFQJV-MRVPVSSYSA-N 289.343 1.214 0 50 CDAA OC[C@H](CN=c1[nH]ccnc1Cl)Cc1ccc(F)cc1 585139226 JPUHZBVWLLBSFK-NSHDSACASA-N 295.745 1.954 0 50 CDAA O=C(CCN1CCCCC1=O)NC[C@H]1CC[C@H](CO)CC1 670445968 LYEUHEXEELZTIF-HDJSIYSDSA-N 296.411 1.304 0 50 CDAA Ic1ccc2c(n1)OCCO2 66054213 KVTOLQOVTRGNSI-UHFFFAOYSA-N 263.034 1.457 0 50 CDAA in-vitro O=C(c1ccoc1C1CC1)N1CC[C@@H](c2nn[nH]n2)C1 1548764632 KGSSIIFMLAFFIB-SECBINFHSA-N 273.296 1.300 0 50 CDAA CC[C@H](O)CN1CCC(CNC(=O)c2ccoc2)CC1 952867540 OITQUMUNNHLJAZ-AWEZNQCLSA-N 280.368 1.492 0 50 CDAA CC[C@@H]1C[C@H](CC(=O)N[C@@H]2C[C@@H](O)C2(C)C)CCO1 408377406 WTQUHLLUOKTVNJ-FDYHWXHSSA-N 269.385 1.857 0 50 CDAA O=C1CCCC[C@H](C(=O)NC/C=C/c2cccnc2)N1 408522325 HPWPMCUKAAXNFJ-DIECRNLCSA-N 273.336 1.270 0 50 CDAA CCOC(=O)[C@@H](CC)C(=O)N[C@H]1CCOC(C)(C)C1 408521100 IJCHORSGMOEVNZ-QWRGUYRKSA-N 271.357 1.650 0 50 CDAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 630237846 LXQFTLZCVHTBCK-HMHPOGMRSA-N 291.303 1.358 0 50 CDAA CC[C@]1(CO)CCCN(c2ncnc3[nH]ccc23)C1 275011774 JNLSGDNIKRSNQF-AWEZNQCLSA-N 260.341 1.947 0 50 CDAA COC1(CNC(=O)c2cnns2)CCCCC1 186302864 DHQKCXWYQCCLBH-UHFFFAOYSA-N 255.343 1.617 0 50 CDAA CN(C)[C@@H]1CCCN(c2ncnc(N)c2Cl)CC1 277751946 JXEQVHOQMIRRSI-SECBINFHSA-N 269.780 1.633 0 50 CDAA Cc1nnc(S(=O)(=O)Cc2ccccc2C)[nH]1 170618494 PIEJCGZMACQWSY-UHFFFAOYSA-N 251.311 1.395 0 50 CDAA CCn1cc(NC(=O)N2CC=C(COC)CC2)cn1 187378638 LIVRMNOPMYUGLS-UHFFFAOYSA-N 264.329 1.713 0 50 CDAA O=C(Nc1ccc(O)nn1)c1cc(O)nc2ccccc12 187435689 FZOCEIMLNXDNMW-UHFFFAOYSA-N 282.259 1.688 0 50 CDAA CCc1cnc(CC(=O)N2CC(C)(C)[C@H]2[C@H]2CCCO2)[nH]1 635939547 PXHQEMYFFNADGT-IUODEOHRSA-N 291.395 1.931 0 50 CDAA C[C@@H]1CCN(Cc2cn(C[C@@H]3CCOC3)nn2)C[C@H]1F 638911086 YOHLIHNRXRLXHO-MBNYWOFBSA-N 282.363 1.495 0 50 CDAA O=C(Nc1cnns1)c1cccc(-n2cccn2)c1 191289253 KLEWZZHNPUNZOV-UHFFFAOYSA-N 271.305 1.976 0 50 CDAA COC[C@H](O)c1cccc(NC(=O)c2cccn2C)c1 584908111 BRIWIFZZJKDFAW-AWEZNQCLSA-N 274.320 1.957 0 50 CDAA CN1CCOc2ccc(C(=O)N3CC[C@H](CCO)C3)cc21 585083077 OAGCUASALHJRQC-GFCCVEGCSA-N 290.363 1.360 0 50 CDAA COC(=O)C[C@@H]1Cc2ccccc2N1C(=O)c1ccn(C)n1 585127176 RXSLXZMXTSDIPL-LBPRGKRZSA-N 299.330 1.555 0 50 CDAA CCNC(=O)N1CCC(c2nncn2C2CC2)CC1 565667579 MXUKICKFVXCGME-UHFFFAOYSA-N 263.345 1.522 0 50 CDAA CCN1CCC[C@@H](CNC(=O)c2ccn(CC)n2)C1 567944213 GQWBWIRVIZCDAC-LBPRGKRZSA-N 264.373 1.365 0 50 CDAA Cc1ccncc1CNC(=O)N1CC(F)(F)C[C@@H]1CO 656187699 CXOYXIMBKNJHRV-LLVKDONJSA-N 285.294 1.302 0 50 CDAA CC(C)C1(O)CN(C(=O)Nc2ccc(C3CC3)nn2)C1 765315928 QZWRBJBLIBHFEA-UHFFFAOYSA-N 276.340 1.589 0 50 CDAA C=CC(=O)N1CCCN(c2nc(C)ns2)CC1 791377401 SQPNLZIAACYIBN-UHFFFAOYSA-N 252.343 1.071 0 50 CDAA CC(=O)N[C@@H](C)C1CCN(c2ccc(C(=O)O)cn2)CC1 1615046004 QBGIABLUSPLROZ-JTQLQIEISA-N 291.351 1.521 0 50 CDAA Cn1nc(C2CC2)cc1CNC(=O)[C@H]1C[C@@H]2[C@H](N)C[C@H]2C1 1615550490 XUXBHUYFKXWUBI-MHDGFBEUSA-N 288.395 1.287 0 50 CDAA CC1(F)CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H](N)[C@@H]3C2)CC1 1615546515 LQZZAZJWXSIRLT-DDHJBXDOSA-N 254.349 1.710 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)c1nncc3ccccc13)C2 1615548714 ZOBOJBMAEXJMGJ-NHYWBVRUSA-N 268.320 1.193 0 50 CDAA CCO[C@@]1(c2nnc3n2CC(C)(C)CC3)CCOC1 1616038499 LREARPDXAPTQJN-AWEZNQCLSA-N 265.357 1.903 0 50 CDAA O=C(O)[C@@H]1C[C@H](O)CCN1C/C=C/c1ccco1 1616102044 CLNIZSGHSNCMAC-NHPSYUHZSA-N 251.282 1.203 0 50 CDAA O=C(c1ccncc1F)N1CCC[C@@H]1C1(O)CC1 1772804519 QFJTULPYDOXRTB-LLVKDONJSA-N 250.273 1.350 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](F)C2)cc2sc(N)nc12 1506414463 ZOMQHECXLYUJHI-RKDXNWHRSA-N 295.339 1.342 0 50 CDAA CCc1cc(N[C@H]2CCOC2)nc(N2CCCC2)n1 1529174461 UNDKJQQQTCKETR-LBPRGKRZSA-N 262.357 1.840 0 50 CDAA CC(C)=CCCN1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857686677 BQDJBNQLYQEVDI-UKRRQHHQSA-N 266.385 1.306 0 50 CDAA CC(C)[C@H]1CN(c2nccs2)C[C@@H]1NS(C)(=O)=O 213397265 AMDRYXJQUCEXDP-ZJUUUORDSA-N 289.426 1.153 0 50 CDAA COc1ncc(N2C(=O)N[C@](C)(C(C)C)C2=O)cc1C 1875304158 BRENEJNMUYRRKJ-CQSZACIVSA-N 277.324 1.870 0 50 CDAA Cc1nnc(CN2CC(F)(F)C[C@@H]2CO)n1C1CC1 364598661 IZJZNHZXROLJNT-SNVBAGLBSA-N 272.299 1.123 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H](c2n[nH]c(=N)o2)C1 379453332 CSCKKUZJKOSMMY-MRVPVSSYSA-N 268.317 1.597 0 50 CDAA in-vitro COc1c(C)cnc(CN2CCC([C@H](O)CO)CC2)c1C 1772711462 YJIBFUWXPHDWRB-OAHLLOKOSA-N 294.395 1.272 0 50 CDAA CCOC(=O)[C@]1(CCOC)CCCN(C2CCOCC2)C1 12587699 UYAJZLWXXNNSCU-INIZCTEOSA-N 299.411 1.847 0 50 CDAA Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(C)c1 169293867 ZVVJKZOQIXYVMF-MQYQWHSLSA-N 287.315 1.896 0 50 CDAA CN(CC(=O)N1CCCC[C@@H]1C(=O)O)Cc1ccccc1 159822575 AGFHNTKKYZKMQE-CQSZACIVSA-N 290.363 1.584 0 50 CDAA Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)cn1 1857738499 KSFFHWWCFIYEEY-MJBXVCDLSA-N 289.379 1.290 0 50 CDAA CC(=O)NCCC(=O)Nc1n[nH]c(-c2ccccc2)c1C 1875250538 KEVITKDQLWRLAU-UHFFFAOYSA-N 286.335 1.850 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2[nH]ccc2C)n1 408055478 USJDVEUNENIHIC-SKDRFNHKSA-N 290.323 1.617 0 50 CDAA CN(C(=O)c1c(O)cccc1F)[C@@H]1CCCCNC1=O 225395290 IODOBUQIFOSADR-SNVBAGLBSA-N 280.299 1.272 0 50 CDAA Cc1cccnc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328619789 GFKACHTZOILYGD-LBPRGKRZSA-N 285.351 1.242 0 50 CDAA COc1ccc(NC(=O)NC[C@@H]2CCCO2)c(C)n1 124578586 VKZPDGIDVUJTNW-JTQLQIEISA-N 265.313 1.699 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3C(=O)O)c2c1 237863555 WLVUZBJJKSXOQF-LLVKDONJSA-N 273.292 1.561 0 50 CDAA N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 237918668 PYRMAASDNPPSLI-OUAUKWLOSA-N 266.291 1.628 0 50 CDAA O=C(O)c1cc(Br)cnc1N1CCOCC1 14007784 AXXSSEQZMXBAFK-UHFFFAOYSA-N 287.113 1.379 0 50 CDAA in-vitro C=CC(=O)NCCNC(=O)C1(c2cccc(C)c2)CC1 264785732 RVMYDNLCILETAH-UHFFFAOYSA-N 272.348 1.445 0 50 CDAA Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21 923206098 OEPAZCURJUXJIR-QNWHQSFQSA-N 292.335 1.449 0 50 CDAA Cc1sccc1NC(=O)NCCN1CCO[C@H](C)C1 932145326 JSSICYDVOQFEHI-SNVBAGLBSA-N 283.397 1.899 0 50 CDAA COCCc1cc(NC(=O)c2cc3cccn3cn2)n(C)n1 934920954 ZAGFFYWTEVAFBU-UHFFFAOYSA-N 299.334 1.509 0 50 CDAA O=C1CN(C[C@H]2CCC(=O)O2)Cc2ccccc2N1 852218372 WFXHHARIJNAZTQ-LLVKDONJSA-N 260.293 1.146 0 50 CDAA Cc1ccc(NC[C@H]2C[C@H](c3n[nH]c(C)n3)C[C@H]2O)nn1 856773890 ZVPGXJSILSAGCM-QJPTWQEYSA-N 288.355 1.178 0 50 CDAA Cc1cccc(CS(=O)(=O)NC2CC(C(=O)O)C2)c1 871637659 LEUOTPOAEOZXBR-UHFFFAOYSA-N 283.349 1.278 0 50 CDAA CCc1nocc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952849641 YYBQXNBJGDWQKZ-QWHCGFSZSA-N 290.323 1.690 0 50 CDAA Cc1c(C(=O)N2C[C@@H](N)[C@H](N)C2)oc2ccc(Cl)cc12 1875270238 YMNVWEXPAZAZGA-GHMZBOCLSA-N 293.754 1.505 0 50 CDAA C[C@H](ONC(=O)[C@H]1CCc2ccnn2C1)c1ccncc1 1875297793 DFFKPVJRXVPYIL-AAEUAGOBSA-N 286.335 1.650 0 50 CDAA CS(=O)(=O)c1cccc(-c2nc(=NC3CCC3)[nH][nH]2)c1 1875275378 FZJICOSOQIGKQX-UHFFFAOYSA-N 292.364 1.262 0 50 CDAA O=C(c1cnc2nccnc2c1)N1C[C@H]2C[C@H]1C(F)(F)C2 1875298904 ROEQMQCDIPLAJK-KWQFWETISA-N 290.273 1.895 0 50 CDAA C=CC(=O)N1CCC(C(=O)N(CC)C[C@@H](C)OC)CC1 1875365502 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O=C1NCc2ccc(C(=O)NCC[C@H](O)C(F)F)cc2N1 1776005655 FHWLYZCSFFEEPX-JTQLQIEISA-N 299.277 1.068 0 50 CDAA CC(C)[C@@](C)(O)CNC(=O)c1ccc(C(=O)O)cc1 236606190 ACMXUVHMNHUNOW-AWEZNQCLSA-N 265.309 1.522 0 50 CDAA c1ccc(N2CCN(CCN3CCSCC3)CC2)cc1 252481546 CNVKOVSXZNGXQZ-UHFFFAOYSA-N 291.464 1.857 0 50 CDAA CO[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 151885087 BAHUQIMWGVDCOY-UONOGXRCSA-N 262.353 1.366 0 50 CDAA O=C1CC[C@H](NC(=O)CC2CCCCCC2)C(=O)N1 153422911 SVHBXTAPDMYEAX-NSHDSACASA-N 266.341 1.268 0 50 CDAA COC(=O)c1cnc(N(C[C@H]2CCOC2)C2CC2)cn1 603341953 GPUPCUZLSGIMPR-SNVBAGLBSA-N 277.324 1.269 0 50 CDAA Cc1[nH]c2ccccc2c1C(=O)CSc1nnnn1C 1430577 RWRSJBNTOQONFL-UHFFFAOYSA-N 287.348 1.975 0 50 CDAA CN(C[C@](C)(O)c1ccccc1)C(=O)C[C@@H]1C=C[C@H](N)C1 2325798954 LIRAKIZLVGKRNX-KMFMINBZSA-N 288.391 1.646 0 50 CDAA CCC[C@H](CCO)NC(=O)C(=O)C1CCCCC1 2325811374 SXMQLLZRZICAKQ-GFCCVEGCSA-N 255.358 1.803 0 50 CDAA Cc1cc(C(=O)N[C@H]2CC[C@H](c3nc(=O)o[nH]3)C2)cs1 2325821903 LATLKQIMYNCZAS-WPRPVWTQSA-N 293.348 1.799 0 50 CDAA O=C(N[C@@H]1C=C[C@@H](C(=O)O)C1)c1ncnc2sccc12 2325865183 QXCOOMUNLBGYCR-HTQZYQBOSA-N 289.316 1.450 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1 1380 UACOQEQOBAQRDQ-UHFFFAOYSA-N 257.311 1.415 0 50 CDAA in-man COC(=O)c1ccc(NC(=S)N2CCOCC2)cc1 134252 AWYDQTQAKCUZDM-UHFFFAOYSA-N 280.349 1.502 0 50 CDAA COc1cccc(CCN2N=C(C)CC2=O)c1OC 185918 IFJTWGZEJMNHTR-UHFFFAOYSA-N 262.309 1.855 0 50 CDAA COc1cc(OC)c(OC)cc1CN1CCC(O)CC1 237631 SAOFPHXMEXZHSU-UHFFFAOYSA-N 281.352 1.669 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1C 312304 VOUGSDKLXKTSDO-GFCCVEGCSA-N 260.293 1.796 0 50 CDAA CC1=CC(=O)[C@@H](n2nnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 436869 QTAAHWSJWGDPBP-YPMHNXCESA-N 299.290 1.825 0 50 CDAA Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1 455012 WOVULQZBLMVUAG-UHFFFAOYSA-N 254.245 1.945 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC 555710 KKYDJPAXTYNFHB-GFCCVEGCSA-N 291.376 1.234 0 50 CDAA CCCN1Cc2nnc(-c3ccccc3O)n2[C@H](C)C1=O 2356144769 LGXDIEHYMSYMAD-SNVBAGLBSA-N 286.335 1.964 0 50 CDAA CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1 4511230 WPMBKZGDDQKHAF-UHFFFAOYSA-N 296.392 1.320 0 50 CDAA Cc1cc(O[C@@H](C)C(=O)Nn2cnnc2)ccc1Cl 4842014 SGHIVZLKMCDUSU-VIFPVBQESA-N 280.715 1.778 0 50 CDAA COC[C@H](O)C[S@](=O)Cc1ccc(Cl)cc1 8556878 OZUFXQNJHJMIKD-ZBEGNZNMSA-N 262.758 1.596 0 50 CDAA CCOc1ccc(CN2C(=O)N[C@@](C)(C3CC3)C2=O)nc1 225461303 ZHMYTCUWEIJIFO-HNNXBMFYSA-N 289.335 1.701 0 50 CDAA Cc1cccn(Cc2nnnn2-c2ccccc2)c1=O 225442914 VTGBURXFNICTLJ-UHFFFAOYSA-N 267.292 1.181 0 50 CDAA CC(=O)N[C@H]1C(=O)N(C)c2c1cccc2C(F)(F)F 101391201 LVALJBIQWDEFRD-SECBINFHSA-N 272.226 1.859 0 50 CDAA Cc1nc[nH]c1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 22023166 STFQNGYLPOKDOY-OLZOCXBDSA-N 284.363 1.499 0 50 CDAA CC[C@H](N)C(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1 246750761 ZVKPLFGNDYTKEV-ILXRZTDVSA-N 281.444 1.837 0 50 CDAA CCOC(=O)c1cc(CN2CCOCC2)c(C)o1 20027174 CXQRRAPJZSWPNU-UHFFFAOYSA-N 253.298 1.597 0 50 CDAA Cc1ccc(NC(=O)C(=S)N2CCN(C)CC2)cc1 20482350 HGAQODBOSVIBPQ-UHFFFAOYSA-N 277.393 1.508 0 50 CDAA Cc1ccc(Cl)cc1NC(=O)CN(C)S(C)(=O)=O 22606495 JXAFZOYTWUWIHO-UHFFFAOYSA-N 290.772 1.478 0 50 CDAA N#Cc1cc2c(=O)n(C[C@@H]3CCCCO3)ccc2[nH]c1=O 67895927 DBUACICIVULAEM-NSHDSACASA-N 285.303 1.131 0 50 CDAA CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](C)COC 253371217 AMZBBAMALDXUDK-MCIONIFRSA-N 268.401 1.744 0 50 CDAA Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)n1 252498394 RAYOTIBCFGWTBV-VXGBXAGGSA-N 254.293 1.922 0 50 CDAA Cc1cnc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)cn1 67490628 IHJOIUYVLGFVMP-CQSZACIVSA-N 290.411 1.883 0 50 CDAA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 218882702 LOEMEIJICGLTFY-VJUNAUMWSA-N 299.374 1.331 0 50 CDAA C[C@@H]1CCO[C@H]1C(=O)N(C)C[C@@H]1CCc2nccn2C1 328622514 ILCSWGIVOBEPGY-MBNYWOFBSA-N 277.368 1.329 0 50 CDAA O=C(c1cccs1)N1CCN[C@@H](c2cccnc2)C1 253629997 PESYASDLEZWPEK-GFCCVEGCSA-N 273.361 1.930 0 50 CDAA Cc1nnc(CC(=O)N2CCCN=C(O)[C@@H]2CC(C)C)o1 329280697 MFGDZBWMDPZXHL-NSHDSACASA-N 294.355 1.524 0 50 CDAA CC(=O)Nc1cc(NC(=O)CCC(=O)O)ccc1C 37795656 LDWOEYOFUNOAEC-UHFFFAOYSA-N 264.281 1.757 0 50 CDAA C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cncnc1 332332302 QISLNRCQZQZMJZ-ABAIWWIYSA-N 283.331 1.941 0 50 CDAA O=C1N[C@H](C(=O)Nc2cccc(-c3cnco3)c2)CO1 367395765 ZAYSHSXRHCPCMD-JTQLQIEISA-N 273.248 1.389 0 50 CDAA COc1ccccc1Cn1cnc2ccncc2c1=O 32533070 UQYPEFUNMMZIRI-UHFFFAOYSA-N 267.288 1.848 0 50 CDAA C[C@@H]1CCOCCN1C(=O)C(F)(F)C1(O)CCC1 367642546 GAYVYXLGCCWNTC-SECBINFHSA-N 263.284 1.174 0 50 CDAA Cc1cc(C(=O)NCC2(N(C)C)CCCCC2)cc(=O)[nH]1 215987483 HMYBNWNEUSJRDN-UHFFFAOYSA-N 291.395 1.678 0 50 CDAA Cc1cc(F)c(C(=O)N2CCC[C@H](N)C2)cc1F 157795032 RHAUZKSMCUYNIO-VIFPVBQESA-N 254.280 1.837 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1OCC1CC1 262356462 CHNANGNSYJFZJJ-CHWSQXEVSA-N 289.331 1.812 0 50 CDAA CC(C)c1nc(CN(C)C(=O)c2ccc(=O)[nH]c2)no1 77355931 BXKBIJQNOUBOFZ-UHFFFAOYSA-N 276.296 1.154 0 50 CDAA Cc1ccc(C(=O)N2CC[C@@H](CC(N)=O)C2)cc1Cl 377147012 RYQCMHWGWYKZTF-JTQLQIEISA-N 280.755 1.986 0 50 CDAA CCCc1cc(C(=O)N[C@@H](CC)COC)n(C)n1 77471693 ISGXORZSUXFCQD-JTQLQIEISA-N 253.346 1.527 0 50 CDAA COc1ccc(-c2ccc(=O)n(CC(=O)NC3CC3)n2)cc1 44902425 ILDDSIANHOBVJZ-UHFFFAOYSA-N 299.330 1.198 0 50 CDAA Cc1ccccc1[C@@]1(C)NC(=O)N(C[C@H]2CCOC2)C1=O 336135993 HNZYHTDYXDYEMD-MLGOLLRUSA-N 288.347 1.799 0 50 CDAA CC[C@H]1CN(C(=O)c2cccc(O)n2)CCN1CC(F)F 282706571 UGJSKXLPFXNWDW-JTQLQIEISA-N 299.321 1.589 0 50 CDAA CCc1nc(=NCc2cc3n(n2)CCCO3)s[nH]1 521398672 YBNKRLXOBKTLID-UHFFFAOYSA-N 265.342 1.114 0 50 CDAA CSc1ncc(CNC(=O)Cc2csc(C)n2)n1C 72421118 MVSHCQZDJNZLQV-UHFFFAOYSA-N 296.421 1.766 0 50 CDAA Cn1cc([C@@H](NC(=O)c2cccnc2)C2CC(O)C2)cn1 220070334 QKIDVAKQLGRDMK-UBHUBRDASA-N 286.335 1.057 0 50 CDAA CCOc1ccc(/C=C/C(=O)N2CC[C@@H](N)C2)cc1 132457817 LRYGTBYNGZYVGT-OQHXTRMZSA-N 260.337 1.658 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 285988757 PBKBMQNINYYMHK-VXGBXAGGSA-N 261.325 1.016 0 50 CDAA CCO[C@H]1CN(C(=O)c2ccc(Cl)c(C)c2)C[C@@H]1O 220285043 LUXTYJDKGDDVKF-STQMWFEESA-N 283.755 1.870 0 50 CDAA CCc1ccc(C(=O)NCCSc2nncn2C)[nH]1 220200270 LMFUVKSUDBFTJI-UHFFFAOYSA-N 279.369 1.228 0 50 CDAA Cc1nc(O)cc(C2CCN(C(=O)c3ccncc3)CC2)n1 223545149 NOJBSGUBBUVJHR-UHFFFAOYSA-N 298.346 1.905 0 50 CDAA COc1ccc(C(=O)NCC2(C)COC2)c(OC)c1OC 83522133 WOFJJPGQGUHTJB-UHFFFAOYSA-N 295.335 1.479 0 50 CDAA Cc1cnccc1CNC(=O)N1CC[C@H](n2cccn2)C1 291654276 HFORZGYFFJQAKH-AWEZNQCLSA-N 285.351 1.743 0 50 CDAA Cc1nc(CN(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c[nH]1 97610067 IZPFAOLZAXVHMK-CYBMUJFWSA-N 290.411 1.941 0 50 CDAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)NCc1ccccc1 239173570 OFAHGKQNLZYZRN-HTOAHKCRSA-N 271.316 1.500 0 50 CDAA CCn1nc(C)c(CCNC(=O)[C@H]2CCCCO2)c1C 97713683 AQPIQHGNAUHMNP-CQSZACIVSA-N 279.384 1.748 0 50 CDAA COCc1nc(CNc2ncc(C(C)=O)c(C)n2)no1 95360618 FXJRXYQJSAOSIV-UHFFFAOYSA-N 277.284 1.129 0 50 CDAA CCCc1cc(C(=O)NCc2cc(COC)[nH]n2)[nH]n1 91306192 MWLJOIKLVPXLHI-UHFFFAOYSA-N 277.328 1.162 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)C[C@@H]1COCCO1 252483472 FCEOBDAYPZRPRZ-CYBMUJFWSA-N 267.373 1.306 0 50 CDAA CCn1cnc2c(N[C@H](C)C(=O)NC(C)(C)C)ncnc21 299544705 AVHXIIWFGHYYEC-SECBINFHSA-N 290.371 1.561 0 50 CDAA CCc1c(C)nn(CC(=O)N[C@H](CC)[C@H]2C[C@H](O)C2)c1C 252570993 XNIHPNLQHGJWMI-UMVBOHGHSA-N 293.411 1.728 0 50 CDAA O=S(=O)(CC1CCCC1)NCC1(Cn2cccn2)CC1 534588954 XYBYKGFWHOLQER-UHFFFAOYSA-N 297.424 1.773 0 50 CDAA CC[C@@H](NC(=O)CCc1cn[nH]c1)c1ncnn1CC 534593153 RLPWHYIEKKKVAO-LLVKDONJSA-N 276.344 1.221 0 50 CDAA CSCC[C@@H](NC(=O)c1cc[nH]c1C)C(=O)O 534590956 JOMXUUVAEWPXRX-SECBINFHSA-N 256.327 1.259 0 50 CDAA Cc1[nH]c(=NCC[C@@H](C)N2CCN(C)CC2)sc1C 534579040 OLIBTBIRHLGBFY-LLVKDONJSA-N 282.457 1.620 0 50 CDAA CC(C)[C@@H](NC(=O)c1ccnn1C)c1nccn1C 534585499 ZRVSDZOXOCUYAF-LLVKDONJSA-N 261.329 1.281 0 50 CDAA CC(C)c1cc(CNC(=O)c2c[nH]c(=N)s2)no1 534654989 GLVMPFRFKAIEIC-UHFFFAOYSA-N 266.326 1.597 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1nn(C)cc1Cl 534576802 VOHXLGBZMHMDDN-MRVPVSSYSA-N 296.762 1.566 0 50 CDAA C[C@H](C(=O)Nc1ccnc(O)c1)n1cc(Cl)cn1 1940197031 NHOYARAFZWGBGH-SSDOTTSWSA-N 266.688 1.837 0 50 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CCCc1ncncc1C(=O)N[C@H](CC)Cn1ccnc1 584899574 XIFYZQRYEVRGQZ-GFCCVEGCSA-N 287.367 1.834 0 50 CDAA Cc1cc(C)n(CCCC(=O)N(C)C[C@H]2CCN(C)C2)n1 584890836 RWKDGVIOFKBNFN-HNNXBMFYSA-N 292.427 1.690 0 50 CDAA Cc1cc(O)nc(CCNC(=O)Cc2csc(C)n2)n1 584892684 GONBLRPALSXFMB-UHFFFAOYSA-N 292.364 1.157 0 50 CDAA COc1ccc(F)c(F)c1C(=O)N[C@H](C)C(C)(C)O 670459791 PGQBWBRCARDVTG-SSDOTTSWSA-N 273.279 1.863 0 50 CDAA C=CC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 1336676739 PSDFNXCGHJUWPM-CYBMUJFWSA-N 258.321 1.826 0 50 CDAA Cc1ccc(CNC(=O)NC[C@H]2CCOC2)nc1C 1341360514 JGDNRDLWLWVLJC-GFCCVEGCSA-N 263.341 1.534 0 50 CDAA Cc1nc2ncnn2c(NCc2cnn3c2CCCC3)c1C 1516027740 GRBNIZRJRSPZMB-UHFFFAOYSA-N 297.366 1.886 0 50 CDAA C=CC(=O)N1CCC(CC)(N2CCOCC2)CC1 1335287798 RMAOCNBAYMZWEN-UHFFFAOYSA-N 252.358 1.276 0 50 CDAA C[C@@]1(CNC(=O)/C=C/c2cc(CO)cs2)CCCO1 952990380 VURDVKULHOAIGJ-XGACYXMMSA-N 281.377 1.939 0 50 CDAA CCc1nccn1CCCNCc1nc(C)c(C)n1C 952965023 BHZFAYACSFNHFA-UHFFFAOYSA-N 275.400 1.976 0 50 CDAA O=C(O)C1CN(C(=O)C2(N3CCCC3)CCCCC2)C1 952860165 GSIMFAUHTYRLCT-UHFFFAOYSA-N 280.368 1.328 0 50 CDAA CC(C)(NS(C)(=O)=O)c1noc(-c2ccoc2)n1 274058036 SDKBUSNYAZXIPV-UHFFFAOYSA-N 271.298 1.114 0 50 CDAA Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCC[C@H](N)C1 269213530 IYFBIMQUPSHZCH-VNHYZAJKSA-N 276.380 1.662 0 50 CDAA Cc1cc(C)n(C[C@H](C)CNC(=O)C2(C(=O)O)CC2)n1 165031691 LHOVZMPGEWICDY-SECBINFHSA-N 279.340 1.117 0 50 CDAA O=S(=O)(N[C@@H]1CCC[C@H]1O)c1ccc2c(c1)CCCO2 271393556 HVSUZBYLAVAMLH-CHWSQXEVSA-N 297.376 1.203 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2coc(C)c2)n1 408055258 RWADTILVAHHYGI-SKDRFNHKSA-N 291.307 1.882 0 50 CDAA Cc1c[nH]cc1C(=O)NCCCO[C@H]1CCCCO1 408521113 IYLYJWKVWAVFGI-ZDUSSCGKSA-N 266.341 1.986 0 50 CDAA CC(C)N1CCc2nc(NC(=O)C3(C)COC3)sc2C1 272992602 FXZXDLBPJQKZHW-UHFFFAOYSA-N 295.408 1.885 0 50 CDAA O=C(O)CCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 514938799 MPZFGXVPQNQHBF-SMDDNHRTSA-N 278.308 1.283 0 50 CDAA CC1CN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 170597266 IHKZCTMHCDGRFZ-UHFFFAOYSA-N 267.716 1.923 0 50 CDAA C[C@H](CNC(=O)c1coc(-c2ccccc2)n1)c1nnn[nH]1 170601265 ZDQYXNATDICOLP-SECBINFHSA-N 298.306 1.388 0 50 CDAA Cc1ccc(S(N)(=O)=O)c(N2C[C@H](C)[C@](C)(CO)C2)c1 631373179 UUUZJTMPFRLPFT-FZMZJTMJSA-N 298.408 1.097 0 50 CDAA Cc1cc(NC(=O)COc2ccc3c(c2)CCC3=O)n(C)n1 186850827 FXCCMIAPYFKJJG-UHFFFAOYSA-N 299.330 1.875 0 50 CDAA Cn1nc(C(=O)O)cc1CN[C@H]1CCc2ccccc2C1 635302385 ATXCDPPNECTWKO-ZDUSSCGKSA-N 285.347 1.765 0 50 CDAA Cc1nc([C@@H](C)Nc2ncnc3onc(C)c23)n[nH]1 672337593 OSFVUMPYYOMPIV-ZCFIWIBFSA-N 259.273 1.526 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1cccc(OC)c1 643762790 IQJNUYSESZXLEQ-OAHLLOKOSA-N 278.352 1.162 0 50 CDAA Cc1nccnc1CCNC(=O)C1(c2cccnc2)CC1 647357400 IATLDVLETGSNST-UHFFFAOYSA-N 282.347 1.571 0 50 CDAA Cc1nc(CN2CCC[C@H]2C(=O)NCc2ccco2)co1 659925428 PGKNXUBBBFYAHB-AWEZNQCLSA-N 289.335 1.857 0 50 CDAA CCN(Cc1cnn(CC)c1)c1cc(OC)nc(N)n1 693697192 ZHWIUXYXLZSVRY-UHFFFAOYSA-N 276.344 1.310 0 50 CDAA COc1cccc(NC(=O)N2C[C@H](O)C[C@@]2(C)CO)c1 698201615 VWBGBVIBOVUXJX-RISCZKNCSA-N 280.324 1.045 0 50 CDAA CCn1ncnc1CNc1cc(C(N)=O)c2ccccc2n1 795263601 IOEAOAPWLQSHAG-UHFFFAOYSA-N 296.334 1.557 0 50 CDAA CCn1nncc1CNC(=O)N1CCC[C@H]1C(F)F 1614615392 QTOFVFZIXJEXHE-VIFPVBQESA-N 273.287 1.237 0 50 CDAA CCc1noc(CN(C)c2ccc(-c3nccn3C)nn2)n1 1506400252 CCIWEKWLRCJHCO-UHFFFAOYSA-N 299.338 1.459 0 50 CDAA C[C@@H]1CCCCN1C1CN(c2nccnc2N(C)C)C1 1529167453 JWUOWYOUWRAFAP-GFCCVEGCSA-N 275.400 1.606 0 50 CDAA Cc1n[nH]cc1CN(C)c1nnnn1-c1ccccc1 1529099066 POKAWCOTXUWSFV-UHFFFAOYSA-N 269.312 1.330 0 50 CDAA CSCC[C@H](N)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 237301756 KNADUFWHLQENDX-TUAOUCFPSA-N 273.446 1.008 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)C1(C)C 408355101 LAHUQUPODKAEIF-DWURIKNASA-N 255.314 1.027 0 50 CDAA O=C(N[C@H](C1CC1)[C@@H](CO)C1CC1)[C@H]1CCCOC1 408519805 GDGRGFYNPHMBLV-MELADBBJSA-N 267.369 1.326 0 50 CDAA CCc1noc(CNc2ncc(F)c(N(C)C)n2)n1 1704332445 WZPJGMSCZZDFQL-UHFFFAOYSA-N 266.280 1.239 0 50 CDAA C[C@@H](c1nnc2n1-c1ccccc1OC2)N1CCOCC1 1772805629 MYZQASBDCWQEMR-NSHDSACASA-N 286.335 1.553 0 50 CDAA CC(C)CCn1c(CO)cnc1S(=O)(=O)CC(C)C 12382239 PTNWKARSBPSAPV-UHFFFAOYSA-N 288.413 1.851 0 50 CDAA C[C@@H](Cc1cnn(C)c1)NC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 333433456 UWFFUZXWGDJFEC-SYEHKZFSSA-N 262.357 1.449 0 50 CDAA Cc1nn(CC(=O)N2CCC[C@@H](C(=O)O)C2)c(C)c1Cl 225445856 JYRJCLUSHJWLBH-SNVBAGLBSA-N 299.758 1.477 0 50 CDAA CO[C@@]1(C)C[C@@H](NC(=O)c2ccc(C(=O)O)o2)C1(C)C 237157435 BVCGYUQPCXSFTA-YGRLFVJLSA-N 281.308 1.911 0 50 CDAA O=C(Cc1cccnc1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1875243117 QSABQDQSLSDFSL-CVEARBPZSA-N 297.358 1.081 0 50 CDAA Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H](C)CC1CC1 112691035 AXJQQWJBNRUGMT-SSDOTTSWSA-N 275.308 1.743 0 50 CDAA O=C(CNC1CC1)N1CCO[C@H](c2ccccc2F)C1 237876652 AGJGKTRTRHJBSQ-AWEZNQCLSA-N 278.327 1.478 0 50 CDAA Cc1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)O)oc1C 655600338 CWFFTIJSPOLLDN-GFCCVEGCSA-N 288.303 1.717 0 50 CDAA C[C@H](Sc1nc(N)cc(O)n1)C(=O)NC1CCCCC1 8607076 UVQKYDVLJONKEK-QMMMGPOBSA-N 296.396 1.694 0 50 CDAA C=CC(=O)N(C)CC(=O)N(CC(C)C)c1cnn(CC)c1 823426011 JVVQGOFVONZEBF-UHFFFAOYSA-N 292.383 1.536 0 50 CDAA CCn1nc(C)c(Cn2cnc3snc(C)c3c2=O)n1 829551308 DLUSGNGYAPYZAK-UHFFFAOYSA-N 290.352 1.130 0 50 CDAA CCn1nnc(C)c1Cn1c2ccccc2c(=O)n1C 931251413 NPSUMRAJPRINLN-UHFFFAOYSA-N 271.324 1.308 0 50 CDAA C=CC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 848979649 VHIYUHBARBEAQJ-UHFFFAOYSA-N 257.355 1.132 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 1857781195 VKYCBUMZNGRMMN-LPEHRKFASA-N 271.313 1.486 0 50 CDAA O=C(Nc1ccc(F)cc1F)[C@@H]1CN2CC3CC2(CO1)C3 952994587 YWSRSNXGWXDIBR-MEXZMNCTSA-N 294.301 1.767 0 50 CDAA O[C@H]1CCCN(c2cc(-c3noc(C4CC4)n3)ccn2)C1 1875286502 URUPQRFNWLNTTD-LBPRGKRZSA-N 286.335 1.970 0 50 CDAA C/C=C/C[C@@H](CO)NC[C@@H](O)CN(C)Cc1ccccc1 1875266542 KNVMYZGIGYQPMK-OAZXXZECSA-N 292.423 1.396 0 50 CDAA C=CC(=O)NC[C@]1(C)CCCN1C(=O)c1cccnc1 1875375966 KWWPYWGJBYBBKZ-HNNXBMFYSA-N 273.336 1.379 0 50 CDAA O=C1CCC[C@@H](C(=O)N=c2nc(C3CC3)[nH]s2)CC1 1875316168 YOERRJGLHAKLGH-SECBINFHSA-N 279.365 1.925 0 50 CDAA CC1(C)C[C@H](NC(=O)/C=C/CN2CCCC2)CCO1 1875338117 NYAARMKORZABNT-URWSZGRFSA-N 266.385 1.712 0 50 CDAA O[C@@H]1C[C@H](N[C@H]2CCc3ccccc32)[C@H]1n1cccn1 886097289 PTKQIIOHHOVVPZ-CAOSSQGBSA-N 269.348 1.835 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2nc(C)cc(C)n2)C1 888077823 XHFXHPSGUZTTMM-VXGBXAGGSA-N 273.340 1.783 0 50 CDAA O=C(NCC[C@H]1CCCCO1)[C@H]1NCC12CCCC2 888101494 CSBCTDAKKGAHOK-CHWSQXEVSA-N 266.385 1.594 0 50 CDAA CCc1cc(C(=O)N2CCOC[C@]2(C)C2CC2)no1 890594968 YRAVTSMRSCBLDQ-CQSZACIVSA-N 264.325 1.878 0 50 CDAA C[C@H]1OCCN(C(=O)c2ccc(C(=O)O)cc2)[C@@H]1C 237599666 RGWKZUOOXFBFDI-NXEZZACHSA-N 263.293 1.634 0 50 CDAA CNc1ccccc1C(=O)NC[C@@H]1CCCN(C)C1 44559392 SQGFDXDOPPRBQH-LBPRGKRZSA-N 261.369 1.800 0 50 CDAA CN(C(=O)c1c[nH]nc1-c1ccccc1)[C@@H]1CCNC1 179057307 MQRHNYDEZPKHFB-GFCCVEGCSA-N 270.336 1.511 0 50 CDAA Cc1ncoc1C(=O)NC[C@H](CC1CC1)C(=O)O 405426130 RBIVGUHGXUFLSH-VIFPVBQESA-N 252.270 1.214 0 50 CDAA Cc1nccnc1C(=O)N[C@@H](C(=O)O)C1CCCCC1 621586609 GZNYPHMYUUJXBF-GFCCVEGCSA-N 277.324 1.548 0 50 CDAA CN(C)S(=O)(=O)CCN1CCC[C@@H]1c1cccnc1 330366100 XBHLDOAOWAIZIX-CYBMUJFWSA-N 283.397 1.110 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)CCc1cn[nH]c1 426641359 KTMMLCWVKCNOCT-LLVKDONJSA-N 265.313 1.198 0 50 CDAA CC1(CN2CCC[C@]3(CCNC3)C2)CCOCC1 426722440 MYVIQARGXNCWTN-OAHLLOKOSA-N 252.402 1.879 0 50 CDAA COCc1nc(CNc2nnc(C(C)(C)C)o2)no1 95360065 UZDHSQPORILOLZ-UHFFFAOYSA-N 267.289 1.509 0 50 CDAA Cc1cc(C)c(CN[C@@H](C)CS(C)(=O)=O)cn1 396978043 LMRDPQZWWDRBLC-NSHDSACASA-N 256.371 1.221 0 50 CDAA COC(=O)c1ccc(-c2nc3nnc(C)n3[nH]2)cc1 340433 OTYJEXWBPUHQCO-UHFFFAOYSA-N 257.253 1.214 0 50 CDAA COc1cc2c(cc1OC)[C@@H](C)N(CCC(N)=O)CC2 525572 MIAYHTHDFIRHNM-SNVBAGLBSA-N 278.352 1.498 0 50 CDAA biogenic COc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1F 2100483900 ZISBVEWGLGWPEZ-UHFFFAOYSA-N 278.287 1.456 0 50 CDAA COCc1nc(-c2ccc([C@@H]3CNC(=O)C3)cc2)nn1C 2100547107 BPQZOCMABQZBOP-LBPRGKRZSA-N 286.335 1.232 0 50 CDAA CC1(CS(=O)(=O)N2CCC(C3CCC3)CC2)COC1 2325756129 OEFVXWBVLDXODU-UHFFFAOYSA-N 287.425 1.865 0 50 CDAA CNC(=O)Cn1c(-c2ccn(C)n2)nc2ccccc21 2325817820 DYWDKTDEUHZZQV-UHFFFAOYSA-N 269.308 1.183 0 50 CDAA c1ccc(Cn2nnnc2Cc2cccnc2)cc1 2325849238 JIMNWYBXLXTORT-UHFFFAOYSA-N 251.293 1.707 0 50 CDAA COC(=O)c1ccc(N2CC[C@@](C)(O)C2)nc1C 218057240 FZOXHTXJPUANPY-CYBMUJFWSA-N 250.298 1.138 0 50 CDAA CC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1ccccc1 224974 NYATUQLQYZIJCY-MNOVXSKESA-N 251.307 1.734 0 50 CDAA O=C(COc1ccccc1Cl)Nn1cnnc1 256159 NDWYEVRUMZGNSN-UHFFFAOYSA-N 252.661 1.081 0 50 CDAA Cc1cc(NC(=O)c2ccc(=O)n(C)c2)c(O)nc1C 2356151813 AXHCVASJIQOOLH-UHFFFAOYSA-N 273.292 1.355 0 50 CDAA C=COCCNC(=O)C(=O)Nc1c(C)cccc1C 2944180 XLMNUINWSRLZCK-UHFFFAOYSA-N 262.309 1.518 0 50 CDAA CCOC(=O)[C@H](CC)Sc1nnc2nc(O)cc(C)n12 4249984 AXADXPQWTDSEEY-QMMMGPOBSA-N 296.352 1.572 0 50 CDAA Cc1ccnc(N2C(=O)[C@@H]3C[C@@H](C)CCN3C2=O)c1 225558827 OBQLGIKDDQTGCM-QWRGUYRKSA-N 259.309 1.957 0 50 CDAA O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccc(F)c(F)c1 20715802 MJMQHCJFACHGKP-VIFPVBQESA-N 293.233 1.078 0 50 CDAA COCCNCCOCCOc1ccc(OC)cc1 2981027 LHLGKLBYBPOIKS-UHFFFAOYSA-N 269.341 1.327 0 50 CDAA OC[C@H](O)CNc1ccc2c(Cl)ccnc2c1F 133466346 PHHZHTZINWQLFQ-SSDOTTSWSA-N 270.691 1.792 0 50 CDAA O=C(NCCc1nnc2n1CCCCC2)[C@@H]1[C@H]2CCC[C@H]21 247149995 YLJGVTSULBTRON-JYAVWHMHSA-N 288.395 1.709 0 50 CDAA c1ccc(C[C@H]2CN(c3ncnc4n[nH]cc34)CCO2)cc1 345112229 ZPIKOCODEAFACM-ZDUSSCGKSA-N 295.346 1.801 0 50 CDAA Cc1cccc([C@@H](C(=O)NCCn2ccnc2)N(C)C)c1 65375900 OBHYCEHWQVZHMT-HNNXBMFYSA-N 286.379 1.611 0 50 CDAA C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(CN2CCOCC2)on1 67789926 AXOSXIQTBUYZPZ-VXGBXAGGSA-N 293.367 1.520 0 50 CDAA CCCCn1nnnc1NC(=O)N(C)C[C@@H]1CCCCO1 23145610 AHQGEZFYDCPYEN-NSHDSACASA-N 296.375 1.506 0 50 CDAA O=C(Cc1cccs1)N[C@@H]1CCc2cn[nH]c2C1 170204660 CQPLDVMHXDSZIP-SNVBAGLBSA-N 261.350 1.687 0 50 CDAA CC(=O)CSc1nc2[nH]c(=O)cc(O)c2s1 67629879 WBGQKDOJIKTQSU-UHFFFAOYSA-N 256.308 1.371 0 50 CDAA COC[C@@H]1CCCCN(CCN2CCO[C@H](C)C2)C1 253397246 LRMVODRVXHRKCK-HUUCEWRRSA-N 270.417 1.456 0 50 CDAA CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2C[C@@H]1O 487410 SGFFREHBBCJPJB-PDWCTOEPSA-N 266.293 1.223 0 50 CDAA biogenic CCC[C@H](O)CNC(=O)[C@@H]1CCCN(C(=O)OCC)C1 154361879 VNALSKQENREEPF-NEPJUHHUSA-N 286.372 1.132 0 50 CDAA CC(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCO2)CC1=O 32497075 KGHRPMWTZWSRIF-STQMWFEESA-N 282.384 1.176 0 50 CDAA C[C@@H]1c2cccn2CCN1C(=O)CCCn1cncn1 77459787 OBVDEMRVPPYRPT-GFCCVEGCSA-N 273.340 1.463 0 50 CDAA CC(=O)N[C@@H]1CCN(c2nc(C)cc(C3CCC3)n2)C1 71753360 PVTUTWAZJIAJKQ-CYBMUJFWSA-N 274.368 1.767 0 50 CDAA CCOC(=O)[C@@H](C(C)=O)[C@H](NC(C)=O)c1ccccc1 71771096 GMHTZOWJZBVCAF-UONOGXRCSA-N 277.320 1.632 0 50 CDAA CC(C)(C)n1cnc(C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)n1 520301293 HWRLENLHWXGCMK-DCAQKATOSA-N 278.356 1.019 0 50 CDAA CN(C[C@@H](O)c1ccccc1)c1ccnc(CO)c1 32573423 YLIMHYUJSUSXEA-OAHLLOKOSA-N 258.321 1.744 0 50 CDAA C=CC(=O)NCCC(=O)Nc1ccc(N(C)C)c(C)c1 156655403 UJPVBBSHIMWIOC-UHFFFAOYSA-N 275.352 1.692 0 50 CDAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2ccc[nH]2)c1 282486135 MFNYOOKSHYNUMT-DOMZBBRYSA-N 286.331 1.971 0 50 CDAA Cc1nnnn1CCCN1CCC[C@H]1c1ccccn1 72150568 FQJFPGLTASPSQT-AWEZNQCLSA-N 272.356 1.604 0 50 CDAA COC(=O)CCCN1C[C@H](O)C[C@H]1C1CCCCC1 241277609 LHOMIELMWPRDIO-KGLIPLIRSA-N 269.385 1.955 0 50 CDAA O=S(=O)(C[C@H]1CCCO1)NC1CCC2(CC1)CC2 333040080 OIXPWODAKOHBCF-GFCCVEGCSA-N 273.398 1.808 0 50 CDAA Cc1ccc(CC2(NC(=O)[C@H]3CNCCO3)CC2)cc1 71638873 DZVKLYXBNSTAHX-CQSZACIVSA-N 274.364 1.175 0 50 CDAA Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](O)CO3)cc2)n1 77488679 GWVLDBQZGFUUJB-AWEZNQCLSA-N 287.319 1.237 0 50 CDAA CNCC(=O)N1CCC[C@@H]1Cc1ccccc1OC 237189750 QKJQSMCUJOHPCB-CYBMUJFWSA-N 262.353 1.448 0 50 CDAA COC(=O)CC[C@H](N)C(=O)OCc1ccccc1 74938256 LGOZCOKMYOMSGF-NSHDSACASA-N 251.282 1.010 0 50 CDAA COc1cc(F)c(C(=O)N2CCC[C@H]2C(=O)O)cc1OC 262725258 YTBYSWJWANXRGJ-JTQLQIEISA-N 297.282 1.532 0 50 CDAA Cc1ncc(C(=O)N2CCCC[C@H]2CCN(C)C)c(=O)[nH]1 72478393 VMRRJJKYHILIMC-LBPRGKRZSA-N 292.383 1.025 0 50 CDAA Cc1ccc(F)c(C(=O)NCc2ncc[nH]2)c1F 215075201 LJUDJFICEVMQNS-UHFFFAOYSA-N 251.236 1.926 0 50 CDAA CC(C)(O)[C@@H]1CCN(C(=O)CCc2cccnc2)C1 215135659 GFGWREPVNNXRDI-CYBMUJFWSA-N 262.353 1.634 0 50 CDAA COCc1cc(CN2CCOC[C@@H](CO)C2)ccc1OC 77555739 MZEJDMIWBGBYTO-CQSZACIVSA-N 295.379 1.282 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 238174977 ZVYHNMUYPVMRBE-WCBMZHEXSA-N 269.247 1.659 0 50 CDAA N[C@@H]1CCN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1O 82126236 AHXRQOHZYMHLDY-HUUCEWRRSA-N 290.411 1.418 0 50 CDAA CC(=O)N1CC[C@H](C(=O)N(C)Cc2scnc2C)C1 176568776 RGRBZMDJNCFGPK-NSHDSACASA-N 281.381 1.278 0 50 CDAA Cn1cnnc1[C@@H]1CCCN1C(=O)c1c(O)cccc1F 131126284 IOEJYPCFBGWRNB-JTQLQIEISA-N 290.298 1.637 0 50 CDAA C[C@H](CCC(=O)NCCc1cn[nH]c1)N1CCCC1 426689964 VFIJNLZKUDFQJR-GFCCVEGCSA-N 264.373 1.333 0 50 CDAA Nc1nc(CNC(=O)COc2ccc3ccccc3c2)n[nH]1 220285748 GXZQYEWMIPOJNF-UHFFFAOYSA-N 297.318 1.235 0 50 CDAA Cc1ccc2c(CC(=O)NCc3n[nH]c(=O)[nH]3)coc2c1 85382962 WJODFEHAELPHEW-UHFFFAOYSA-N 286.291 1.012 0 50 CDAA Cc1cc(C)n(-c2cccc(-c3nc(=O)n(C)[nH]3)c2)n1 426690295 MTPRXSBEDYLMFK-UHFFFAOYSA-N 269.308 1.578 0 50 CDAA c1ccc(COCc2cn(CCc3c[nH]cn3)nn2)cc1 91441510 FAXCWLOOHMCTEN-UHFFFAOYSA-N 283.335 1.961 0 50 CDAA CC(=O)c1cc(C(=O)NCCSC(F)(F)F)[nH]n1 97732890 YBKHYIHCIGKZDQ-UHFFFAOYSA-N 281.259 1.595 0 50 CDAA Cc1ccc(N2CCC([C@H](C)N3CCOCC3)CC2)nn1 95354330 BBELKPBFZQCZPC-AWEZNQCLSA-N 290.411 1.722 0 50 CDAA Cc1ncncc1C(=O)NCC(C)(C)CN(C)C 97757812 ZNRYFEOKZCUYRU-UHFFFAOYSA-N 250.346 1.103 0 50 CDAA CCCCn1ccnc1[C@H]1CCCN(C(=O)CO)C1 95378571 HTLNUBSUNYYQMX-LBPRGKRZSA-N 265.357 1.382 0 50 CDAA COCCOc1ccc(-c2nc3c([nH]2)CCNC3)cc1 95380919 ZTYJJINFFSOGCZ-UHFFFAOYSA-N 273.336 1.748 0 50 CDAA Cc1ncnc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)c1C 91665555 VZTQYNNXDXEVKA-LBPRGKRZSA-N 290.367 1.127 0 50 CDAA CSCc1noc(CN2CCC[C@H](N(C)C)CC2)n1 244659662 HGQHZABKEVLMCG-NSHDSACASA-N 284.429 1.849 0 50 CDAA O=S(=O)(N[C@@H]1C[C@H]1C1CCCCC1)[C@H]1CCOC1 245338941 PLOYSSRPXUOQHF-RWMBFGLXSA-N 273.398 1.664 0 50 CDAA CN(CCn1cc[nH]c1=O)C[C@@H]1Cc2ccccc2O1 244742004 OAKAMPTYZPAQMP-ZDUSSCGKSA-N 273.336 1.112 0 50 CDAA C[C@@H]1CCC[C@H](CC(=O)N2CCOC[C@H]2C(=O)O)C1 299749576 KVKFGDRBVWABRB-WOPDTQHZSA-N 269.341 1.515 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 299740216 XCAGIQKYGQNJNR-ZNMIVQPWSA-N 292.354 1.853 0 50 CDAA C[C@@H]1CCCCN1C1CN(C(=O)NCCc2ncc[nH]2)C1 534659528 HOLHRQPAQGHXLL-GFCCVEGCSA-N 291.399 1.220 0 50 CDAA CCNc1nc(C)c(C(=O)NCc2cc[nH]n2)s1 534640194 DATJLDREQDFOPJ-UHFFFAOYSA-N 265.342 1.536 0 50 CDAA CCCc1nc(C)c(CNC(=O)c2[nH]nnc2C)s1 534661962 MQDYHROJSRHLKB-UHFFFAOYSA-N 279.369 1.761 0 50 CDAA CC(C)Oc1cc(NCC[C@@H]2CCCOC2)[nH]c(=N)n1 534669112 HPRDXURYCVMPHH-NSHDSACASA-N 280.372 1.905 0 50 CDAA Cc1cc(C(=O)N(C)c2ccn(C)n2)nc(C(F)(F)F)n1 275018168 LHNTZJDQFDTENO-UHFFFAOYSA-N 299.256 1.814 0 50 CDAA Cc1cnc(N2CCOC3(CCN(C)CC3)C2)nc1 645385206 QKMZUXLUOGLTKZ-UHFFFAOYSA-N 262.357 1.086 0 50 CDAA COc1ncc(CN(C)Cc2c(C)noc2C)cn1 824851734 ALIKBIVAZHUITP-UHFFFAOYSA-N 262.313 1.722 0 50 CDAA CCCc1cc(CNC(=O)CSc2ncccn2)on1 823020265 DELMMEKQZIEVGH-UHFFFAOYSA-N 292.364 1.826 0 50 CDAA COC(=O)c1ccc([C@H]2C=NN(C(C)C)C2=O)cc1 575442433 NUBBMXGVHXYCHC-GFCCVEGCSA-N 260.293 1.793 0 50 CDAA CNc1nc(C)cc(NC[C@H]2CC[C@H](C(=O)NC)CC2)n1 823830656 CDYRICGSLVKUTR-HAQNSBGRSA-N 291.399 1.791 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)c1ccnnc1 822280891 CHQZKBMUFPUFON-VIFPVBQESA-N 260.301 1.140 0 50 CDAA COc1cc(C)c(Cl)cc1S(=O)(=O)n1cnnc1 583645800 XXUFCEWYZOPGGB-UHFFFAOYSA-N 287.728 1.486 0 50 CDAA CC(=O)N1CCC(N2C[C@H]3CCC[C@@H](C2)N(C)C3)CC1 670454856 UQGBWPCWCIOLMH-HOCLYGCPSA-N 279.428 1.413 0 50 CDAA COc1ncccc1NC(=O)N1CC[C@@H]2[C@@H](CCN2C)C1 866154357 VKFPGZQBGGNRAN-WCQYABFASA-N 290.367 1.648 0 50 CDAA CCCC[C@@H]1C=CCN1S(=O)(=O)c1cn[nH]c1 952989053 SAJRZJDASPEYAD-SNVBAGLBSA-N 255.343 1.529 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CCCn2ccnc2)C[C@@H]1C1CC1 1565513923 VTASCNPNQOTHOK-OLZOCXBDSA-N 291.351 1.233 0 50 CDAA COc1cc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)O)ccc1C 268874154 AKJMANMHDCHCFR-NEPJUHHUSA-N 277.320 1.383 0 50 CDAA CC(C)(O)CN1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O 408044837 PCWZXYXFERZBIW-SCRDCRAPSA-N 257.374 1.009 0 50 CDAA COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCC(C)(OC)CC2)C1 408101519 OEGRUHSHANDDPI-OLZOCXBDSA-N 297.395 1.993 0 50 CDAA CN(Cc1ncccn1)[C@@H]1CCN(C(=O)C(C)(C)F)C1 275909529 JCEGXAVQJDKXEA-LLVKDONJSA-N 280.347 1.257 0 50 CDAA Cc1ccc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)o1 276687662 OGEDYPZCRKGFSV-LBPRGKRZSA-N 288.351 1.450 0 50 CDAA Cc1ccc(S(=O)(=O)Cc2nonc2C)cc1C 276868223 HHRBBPWUCQZPIJ-UHFFFAOYSA-N 266.322 1.969 0 50 CDAA Cc1cc(CNCCC(C)(C)O)ccc1-n1cncn1 170084454 SHCYKXBLYQOUGI-UHFFFAOYSA-N 274.368 1.826 0 50 CDAA Cc1cc(NC(=O)[C@H](C)Nc2cnn(CC(F)F)c2)on1 186303784 AXDPJJBKWTWZEI-QMMMGPOBSA-N 299.281 1.884 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NCc2cscn2)C1(C)C 186587620 FDUGFFKXUPPIER-YPMHNXCESA-N 270.398 1.799 0 50 CDAA Cc1ccc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)n1C 554934548 ULZNGEFGGLUIPH-NSHDSACASA-N 263.341 1.026 0 50 CDAA Cc1cnccc1Cn1cc(C[C@H](O)C(C)(C)C)nn1 641142706 DGATVAXUCJTJDX-AWEZNQCLSA-N 274.368 1.979 0 50 CDAA O[C@]1(Cn2cc(-c3ccccc3F)nn2)CCCOC1 641218522 VZAYAAAHYJTVIY-AWEZNQCLSA-N 277.299 1.626 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)NC[C@H]1CCCO1 583623946 OGLCCDYPCGMRPX-QWHCGFSZSA-N 292.383 1.266 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)[C@@H]2CC=CCC2)cn1 192993916 GXWMOFRKOFQWGS-SNVBAGLBSA-N 277.324 1.998 0 50 CDAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@H]1CCOC1 653333429 OUNXPSVSIYKNGY-ZWKOPEQDSA-N 275.304 1.452 0 50 CDAA COc1nccnc1NCCCn1cc(Cl)cn1 686302592 WIYOAHXZAPEJSU-UHFFFAOYSA-N 267.720 1.837 0 50 CDAA CCN(C(=O)c1c(Cl)cnn1C)[C@@H](C)C(=O)O 663123864 GHIFKKIWKSEDIV-LURJTMIESA-N 259.693 1.009 0 50 CDAA Cc1ccnc(COC(=O)[C@H]2CCCc3n[nH]cc32)n1 756203767 FQXTVBMQUJKHLZ-JTQLQIEISA-N 272.308 1.671 0 50 CDAA CC(C)(C)n1ncc2c(O)nc(NCc3ncccn3)nc21 1615556193 MMAHLKRJHOXJFI-UHFFFAOYSA-N 299.338 1.689 0 50 CDAA Cc1ccc(C)c([C@H](C(=O)O)N(C)Cc2ncon2)c1 1506396024 ANPMVHMBQNPKPN-CYBMUJFWSA-N 275.308 1.944 0 50 CDAA CCN1CCC[C@@H](CN(C)C(=O)c2cc(O)ccc2N)C1 1506420584 KHYLTACREILFOL-LBPRGKRZSA-N 291.395 1.778 0 50 CDAA CCc1c(C)noc1NC(=O)[C@@H](N)CCSC 1506427261 LHZRSDVCIIGGIA-VIFPVBQESA-N 257.359 1.564 0 50 CDAA CCOc1nc(C)c(/C=C/C(=O)O)c(OCC)n1 228961 DDHZRCBAICRSAT-VOTSOKGWSA-N 252.270 1.680 0 50 CDAA O=C(Cn1cc(Br)cn1)N[C@H]1C=CCCC1 334618404 YAXXSYQIQLHESQ-JTQLQIEISA-N 284.157 1.871 0 50 CDAA C[C@H]1CCC[C@@H](C)[C@@H]1NS(=O)(=O)c1ccnn1C 239782462 COSGQPXKXQSJMB-IAZYJMLFSA-N 271.386 1.523 0 50 CDAA CCNC(=S)NS(=O)(=O)c1ccc(CC)cc1 13483383 HPIYMWSRCZTJHQ-UHFFFAOYSA-N 272.395 1.422 0 50 CDAA CC(C)N(C)C(=O)[C@@H](C)[S@@](=O)[C@H]1CCO[C@H]1C 245550157 OMIFODNRPZJKHM-VZVWNTEVSA-N 261.387 1.168 0 50 CDAA Cc1cnc(N[C@@H]2COC[C@H]2Cc2ccncc2)nc1N 1704345283 WDNCGNUNMBACKR-CHWSQXEVSA-N 285.351 1.432 0 50 CDAA O=C1CC2(CCN(C[C@@H]3CC=CCC3)CC2)OCCN1 1857685306 QYUDGHNIVBEVPA-CQSZACIVSA-N 278.396 1.714 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@H]3C[C@@]3(C)C2)nc(N)n1 1772804550 BPVOWKJWDJTVIG-OTYXRUKQSA-N 260.341 1.664 0 50 CDAA Cc1noc(C)c1CCCNC(=O)c1nc(N)[nH]c1C 1775982881 ZLWIUYOCELWXCH-UHFFFAOYSA-N 277.328 1.268 0 50 CDAA CCCC[C@H](CCCc1c(O)nc(N)nc1O)C(=O)O 5324953 GKUGZXHGFDIPRF-MRVPVSSYSA-N 283.328 1.684 0 50 CDAA Cc1ccsc1-c1nc(CN(CCO)CCO)c(C)o1 12458373 FYTUXYVHHAAXQR-UHFFFAOYSA-N 296.392 1.807 0 50 CDAA CCN(C)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O 12589775 KDMJZPDYCJXFMZ-MRXNPFEDSA-N 294.370 1.631 0 50 CDAA CC(C)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2 14988954 BDSJWTRXAZTCCE-UHFFFAOYSA-N 274.368 1.897 0 50 CDAA O=C1CCC(=O)N1CCCc1nc(-c2cccnc2)no1 16391912 VXBNITPVXAOQQA-UHFFFAOYSA-N 286.291 1.213 0 50 CDAA Cc1cc(C)nc(CNC(=O)c2ccc3c(c2)OCCO3)n1 19939583 WZBAWBWXTTWWMV-UHFFFAOYSA-N 299.330 1.795 0 50 CDAA N=c1[nH]nc(N2CCC[C@@H](OCc3ccccn3)C2)s1 1857679185 HCPXLTQVUOZJAK-LLVKDONJSA-N 291.380 1.531 0 50 CDAA CCC[C@@]1(CO)CN(Cc2cc(OC)ccn2)CC[C@H]1O 1857727693 XMNFVNKVKXYCHX-CVEARBPZSA-N 294.395 1.436 0 50 CDAA CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC=NC2=N1 71212 LXUNKLLFUDNZAT-LLVKDONJSA-N 289.726 1.359 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccccc1F 100798631 ZCWNOFNGHFABLS-ZNIXKSQXSA-N 289.306 1.965 0 50 CDAA C[C@]1(c2cccc(Br)c2)NC(=O)NC1=O 3886070 GWKFINAXYHAEHZ-SNVBAGLBSA-N 269.098 1.504 0 50 CDAA in-vitro CC(C)N(CC(=N)O)C(=O)[C@@H]1CCn2cncc2C1 330715216 BZSMALQHTMHSQN-SNVBAGLBSA-N 264.329 1.218 0 50 CDAA NC(=O)C[C@@H]1CCCN(Cc2cccc3c2CCOC3)C1 639508970 VMXMKNUEUGJARM-ZDUSSCGKSA-N 288.391 1.847 0 50 CDAA CNc1cc(N2CCC[C@H]2CN=c2[nH]cncc2C)ncn1 641349155 XGBDXHJCOBLDTD-LBPRGKRZSA-N 299.382 1.120 0 50 CDAA NC[C@@H]1CCCN1C(=O)CCCOc1ccccc1F 237940026 GKLKJVBYBIQAFE-LBPRGKRZSA-N 280.343 1.934 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccncc1 239426019 VPQWDGNJPXQZTL-WUHRBBMRSA-N 272.304 1.221 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cc(C2CC2)[nH]n1 248121746 KIWTVNSZQQWZLO-PWSUYJOCSA-N 274.368 1.453 0 50 CDAA CC1=CCC[C@H](C)[C@@H]1CN(C)C[C@@H](O)CN1CCOCC1 249116944 SLFDQKPTHQTVGG-GVDBMIGSSA-N 296.455 1.604 0 50 CDAA CCc1ccnc(CNC(=O)N2CC(F)(F)C[C@@H]2CO)c1 684814318 QNUIKGYTSRFPKU-GFCCVEGCSA-N 299.321 1.556 0 50 CDAA O=C(CCc1ccc2[nH]ccc2c1)N1C[C@@H](O)C[C@H]1CO 363704159 HKSWYWCYMVOUCY-KBPBESRZSA-N 288.347 1.055 0 50 CDAA O=C(O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccncc1 261569020 LSARYZMCOBBKMY-SRVKXCTJSA-N 260.293 1.407 0 50 CDAA Cc1cc(C)nc(N2CCN(Cc3nc(C)no3)CC2)n1 264035151 IRIWDEDJKMOVFO-UHFFFAOYSA-N 288.355 1.107 0 50 CDAA COc1cccc(Cn2cnc3ccsc3c2=O)n1 134764440 DNRSRNIKPDOXLQ-UHFFFAOYSA-N 273.317 1.910 0 50 CDAA CCO[C@@]1(c2nnc(NCc3ccon3)o2)CCOC1 901408835 GXKCNOJAJQYREY-LBPRGKRZSA-N 280.284 1.322 0 50 CDAA CNC(=O)NC1CN(C(=O)c2ccccc2-n2cccc2)C1 935856305 RWCAASPNRUSUFZ-UHFFFAOYSA-N 298.346 1.231 0 50 CDAA CC(C)(N)CNC(=O)c1cc(-c2ccccc2)on1 236631673 VQPDKAWOONKUKJ-UHFFFAOYSA-N 259.309 1.809 0 50 CDAA O=C([C@H](O)c1cnc[nH]1)N1CCCC[C@@H]1c1ccco1 865914188 FJUIGJCQRICDHT-DGCLKSJQSA-N 275.308 1.790 0 50 CDAA O=C(O)C1=CCCN(C(=O)C2(Nc3ccccc3)CC2)C1 1875271002 DLCCFHXQTBXRCT-UHFFFAOYSA-N 286.331 1.874 0 50 CDAA Cc1nc([C@H](NC(=O)C2CC2)c2ccccc2)no1 1875297017 ZOSFEZCCVYYTQK-GFCCVEGCSA-N 257.293 1.994 0 50 CDAA Cn1cc(C[N@]2C[C@H]2COc2cccc3c2CCOC3)cn1 1875379312 PQUPJTWZAHUXIB-MGPUTAFESA-N 299.374 1.756 0 50 CDAA Cc1cc(Cn2cc([C@@H]3OCCC[C@H]3C(=O)O)cn2)no1 886088219 NRNYFRXQUNSPNR-OLZOCXBDSA-N 291.307 1.780 0 50 CDAA Cn1nc(NC(=O)[C@@H]2CCc3nccn3C2)c2ccccc21 889493197 BHRHEBRWBOMTLK-LLVKDONJSA-N 295.346 1.971 0 50 CDAA Cc1cnc(N(C)Cc2ncc(Br)cn2)nc1 895333220 AKNINDWBYJXXNR-UHFFFAOYSA-N 294.156 1.974 0 50 CDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CC(F)(F)CN1 263203193 JIUMPVWVDFTNTK-ZDCRXTMVSA-N 286.322 1.057 0 50 CDAA Cc1ccc(NC(=O)NC[C@@H]2CNCCOC2)cc1 72144582 BRQYJZYYGVCAPU-LBPRGKRZSA-N 263.341 1.353 0 50 CDAA CNc1nc(C)cc(C(=O)N[C@H](C)c2ncc[nH]2)n1 311271857 CHOTVDSVPSONCK-MRVPVSSYSA-N 260.301 1.041 0 50 CDAA C[C@@H]1OCC[C@@]1(C)NC(=O)c1cccc2[nH]ncc12 329686018 AETDGIHVYFQVFV-LKFCYVNXSA-N 259.309 1.860 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)o1 330652640 LNJIYWKDHUAZOI-SSDOTTSWSA-N 287.259 1.180 0 50 CDAA COC1(CC(=O)N2C[C@H]3CCC[C@@]3(N)C2)CCC1 638442129 OYBBGSSQDIWSLF-BXUZGUMPSA-N 252.358 1.285 0 50 CDAA CC1(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)CC=CC1 907950841 ZYRWJYJZMYCGLE-FIQHERPVSA-N 263.337 1.958 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCCN2C1 2325763134 WCUMFWPUGINZHU-BARDWOONSA-N 277.412 1.166 0 50 CDAA Cn1ncc(C(F)F)c1C(=O)NC1(CC(=O)O)CC1 2325777846 JZHYXVBJFCFWII-UHFFFAOYSA-N 273.239 1.095 0 50 CDAA CC1(c2cc(C(=O)N3CC[C@]4(C[C@H]4C(=O)O)C3)no2)CC1 2325812708 AHGNGQCKWIUCGC-VFZGTOFNSA-N 290.319 1.663 0 50 CDAA COc1cc(NC(=O)[C@H](C(=O)O)C(C)C)ccc1O 911416678 QWLYJJBLAVKMAO-LLVKDONJSA-N 267.281 1.696 0 50 CDAA CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(C)o2)C1 938995383 CZKDNNYRPMLXDH-SNVBAGLBSA-N 250.298 1.329 0 50 CDAA O=C(O)CNS(=O)(=O)c1ccc2ccccc2c1 84444 MTFDMQASMMCFHB-UHFFFAOYSA-N 265.290 1.203 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccc(C)o2)S1 89924 UVKAMGZXETWWGX-LBPRGKRZSA-N 281.337 1.763 0 50 CDAA O=S(=O)(c1cccs1)N1CCC2(CC1)OCCO2 153881 DVPSNNDSEAFTKR-UHFFFAOYSA-N 289.378 1.276 0 50 CDAA CCOC(=O)N1CCN(C2CCN(CC)CC2)CC1 280529 DNGMWYIPKVXQNS-UHFFFAOYSA-N 269.389 1.245 0 50 CDAA COC(=O)Cn1c(C)c(C(C)=O)c(C(C)=O)c1C 313598 QPNCUBGFAWVDPS-UHFFFAOYSA-N 251.282 1.683 0 50 CDAA O=C1NCCC[C@@]12CCCN2Cc1cnsc1 2356134209 DQHPHMZKUNBJGQ-GFCCVEGCSA-N 251.355 1.388 0 50 CDAA NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 2544872 MOKGOCYVVZLWBX-UHFFFAOYSA-N 272.091 1.189 0 50 CDAA Cc1nnc2n1[C@@H](C)C(=O)N(Cc1ccccc1)C2 2356154211 MSSLPJMOFOTBLH-JTQLQIEISA-N 256.309 1.690 0 50 CDAA CCOCCCNS(=O)(=O)c1ccc(OC)cc1 2803687 GPAMOSGUPPZUMM-UHFFFAOYSA-N 273.354 1.400 0 50 CDAA CN1CCC[C@]2(CCCN2C(=O)Cc2cccnc2)C1=O 2356162872 RXDMCQOOAGCSOA-INIZCTEOSA-N 287.363 1.238 0 50 CDAA Cc1nc[nH]c1CC(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356166074 NNBFFTCOHQXTBT-MPZDIEGVSA-N 277.368 1.269 0 50 CDAA CCOC(=O)c1[nH]c2c(c1C)C(=O)[C@@H](C(=O)OC)[C@H](C)C2 4488760 RUXJOQQVHXHGLJ-XCBNKYQSSA-N 293.319 1.664 0 50 CDAA CC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)N1 4672846 KHSBEFUAAXINMS-UHFFFAOYSA-N 252.280 1.974 0 50 CDAA CN1CC[C@@H]2[C@@H](CCCN2c2cnn(C)c(=O)c2Cl)C1 222119925 GOSLKXUZXCPFKA-WDEREUQCSA-N 296.802 1.354 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@H](O)C(=O)O 8700580 ZVAFCKLQJCZGAP-QWRGUYRKSA-N 281.308 1.698 0 50 CDAA COc1ccc(C(=O)Nc2cnns2)c(F)c1 225253099 LKXIFMNADMWKBI-UHFFFAOYSA-N 253.258 1.938 0 50 CDAA NC(=O)c1cccc(Cn2c(Cl)cccc2=O)c1 225471598 SOZSNYKONLCQFD-UHFFFAOYSA-N 262.696 1.649 0 50 CDAA O=C(NCC(F)(F)F)N1CCC[C@@H]1c1ccn[nH]1 225838056 LQOILFXHGVIMFI-MRVPVSSYSA-N 262.235 1.819 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 226286971 JEQJATQVILZCBG-CYBMUJFWSA-N 287.363 1.395 0 50 CDAA CCCCOC(=O)[C@H]1CN1[C@H](CC)C(=O)OCC 101841645 OXNCNRWJPHRDLM-HRQHSXBYSA-N 257.330 1.356 0 50 CDAA CN(CCN1CCCC1)S(=O)(=O)N1CCCCCC1 103162313 MAVBSOTVYQYCFI-UHFFFAOYSA-N 289.445 1.135 0 50 CDAA CO[C@](F)(C(=O)NCc1ccco1)C(F)(F)F 22018436 ZKDMMMMKIVRXMH-MRVPVSSYSA-N 255.167 1.770 0 50 CDAA CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(O)ccc(c23)C1 4102420 OYSGWKOGUVOGFQ-RBOXIYTFSA-N 273.332 1.547 0 50 CDAA in-vitro O=C(COc1cccc(F)c1)N1C[C@@H](F)C[C@H]1CO 347367239 FMDPBGFZNLUXDO-QWRGUYRKSA-N 271.263 1.136 0 50 CDAA CN(C[C@@H]1CCCO1)c1nccc(N2CCC(O)CC2)n1 65405747 SHCKRESZKDTQFK-ZDUSSCGKSA-N 292.383 1.053 0 50 CDAA COc1ccnc(C(=O)N(C)Cc2cscn2)c1 172230640 HBMHENHQBQSSTP-UHFFFAOYSA-N 263.322 1.819 0 50 CDAA COC(C)(C)C(=O)NC1CCN(Cc2ccncc2)CC1 171595367 ONCUSJPYGOCSJH-UHFFFAOYSA-N 291.395 1.587 0 50 CDAA CN1CC[C@H](N2CCC(c3c[nH]c4ncccc34)CC2)C1=O 120650596 KRBWBZAYEYCWMS-HNNXBMFYSA-N 298.390 1.973 0 50 CDAA Cc1cnc(C)c(NCCNC(=O)c2cccnc2)n1 32553366 COKOFIXXONCNSO-UHFFFAOYSA-N 271.324 1.330 0 50 CDAA CN(C(=O)[C@H]1COCCN1CC1CCC1)C1CCC1 353510697 RZCXIFHGNYOEAN-CQSZACIVSA-N 266.385 1.498 0 50 CDAA Cc1ccc2c(c1)CC[C@@H](C(=O)N(C)c1nncn1C)O2 253392237 CIEAQKHQRRJUJD-ZDUSSCGKSA-N 286.335 1.480 0 50 CDAA CCc1ncc(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)s1 252511721 KBSDVJBHCWDLPA-LDDIKCJXSA-N 294.376 1.935 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](N(C)C)CC1 72157799 CVSZLPIEASINCV-CQSZACIVSA-N 292.427 1.902 0 50 CDAA Cc1cnccc1NC(=O)NCC(=O)OC(C)(C)C 121710943 OHUYUKGKBLOGSL-UHFFFAOYSA-N 265.313 1.853 0 50 CDAA Cc1nc(N2CCNCC2)ccc1Br 38537926 BMZFOQCCRVDXRL-UHFFFAOYSA-N 256.147 1.562 0 50 CDAA in-vitro CC[C@H]1CN(C(=O)Cc2ncccc2F)CCCO1 281475596 GNIDTZRXGSRKDV-NSHDSACASA-N 266.316 1.791 0 50 CDAA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccsc2)C1 328655035 XZOPPECIRSDGIQ-CQSZACIVSA-N 294.420 1.931 0 50 CDAA CN1CCN(C(=O)C[C@@H]2C=CCC2)C[C@@H]1c1ncc[nH]1 328623107 IWGRSIUDHJLUET-CHWSQXEVSA-N 274.368 1.581 0 50 CDAA O=C(c1ccncn1)N1CCC[C@@H]1c1cccnc1 487745484 YNZWJEFANOHMGY-CYBMUJFWSA-N 254.293 1.849 0 50 CDAA Cc1nn(C)c(NC(=O)c2cnc(N(C)C)cn2)c1C 330769893 UGGLDRLMHSYMQJ-UHFFFAOYSA-N 274.328 1.145 0 50 CDAA CC(=O)c1cc(C(=O)N2CCO[C@H]([C@H](C)O)C2)ccc1C 331329697 HEIPJMZBBVUYTB-WFASDCNBSA-N 291.347 1.419 0 50 CDAA CC(C)C[C@H]1COCCN1C(=O)NCC1CCOCC1 172225205 POHZYCKICJTWSX-AWEZNQCLSA-N 284.400 1.870 0 50 CDAA Cc1nc([C@@H]2CCCN(Cc3coc(C)n3)C2)cc(=O)[nH]1 72170539 NARFLEDQIMFXNX-GFCCVEGCSA-N 288.351 1.754 0 50 CDAA COc1ccc(CCC(=O)N2C[C@H](C)N[C@H](C)C2)cc1F 153338590 WDXSRGIIJVZDAL-TXEJJXNPSA-N 294.370 1.976 0 50 CDAA Cc1ncc(C(=O)N2C[C@H](CO)c3ccccc32)c(C)n1 332023422 RIAMTLJKTSPCKT-GFCCVEGCSA-N 283.331 1.830 0 50 CDAA NC1CC(c2cc(N[C@H](CO)c3ccccc3)ncn2)C1 219233827 KKVWSCBHRIPXSR-SSDMNJCBSA-N 284.363 1.827 0 50 CDAA NC(=O)[C@]1(O)CCCN(C/C=C/c2ccccc2)C1 284902663 RYGDYFBJACAFMZ-LWUPOJRFSA-N 260.337 1.012 0 50 CDAA Cc1cnc([C@@H](C)N2CCC[C@@H](n3ccnn3)C2)o1 333418539 RGQKYYMNOYIGTR-VXGBXAGGSA-N 261.329 1.973 0 50 CDAA CN(C[C@H]1CCC[C@H]1O)c1nccc(-c2cnccn2)n1 333558780 NTIHEWUTFLGFAV-BXUZGUMPSA-N 285.351 1.531 0 50 CDAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NC[C@@H](C)O 32498329 ZQBDSZKXYCLRQV-SSDOTTSWSA-N 298.191 1.961 0 50 CDAA Cn1cc([C@@H]2C[C@H]2C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)cn1 333603567 DBAZHQYHVBZSER-DSJMHWKBSA-N 289.379 1.597 0 50 CDAA CO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnnc2)C12CCC2 333683517 BCTVRPLTSXRMSQ-VXGBXAGGSA-N 276.340 1.898 0 50 CDAA NC[C@@H]1CC[C@@H](NC(=O)N2Cc3ccccc3CO2)C1 333716653 TYCLPGFOTFOFDK-BXUZGUMPSA-N 275.352 1.771 0 50 CDAA C[C@@H]1CCC[C@@H](OCC(=O)NC[C@@H]2CCCCN2)C1 237589103 HJKXOFFQOIDREO-HZSPNIEDSA-N 268.401 1.840 0 50 CDAA C[C@H](NC(=O)Cn1ccccc1=O)c1nc2ccccc2[nH]1 78952633 UUCIPEQTPRSSDG-NSHDSACASA-N 296.330 1.602 0 50 CDAA CCc1cnc(N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)nc1 219328177 PXALTLPOTXSFAS-RNJOBUHISA-N 263.341 1.501 0 50 CDAA Cc1cnc(SCC(N)=O)c(Br)c1 215963688 HUNBNDUMUSEVNC-UHFFFAOYSA-N 261.144 1.730 0 50 CDAA CCc1cc(CNC(=O)c2ccn(C(C)C)n2)on1 78127336 HGVOCAMDCUDUDW-UHFFFAOYSA-N 262.313 1.944 0 50 CDAA CCO[C@H]1C[C@@H]1C(=O)NCc1cccc(OCC(=O)O)c1 262425558 HNAJQUQDZGEWIE-STQMWFEESA-N 293.319 1.191 0 50 CDAA CNC(=O)c1ccc(NC(=O)c2cc(C)no2)c(C)c1 48794728 DTFYODWWIMEPEH-UHFFFAOYSA-N 273.292 1.903 0 50 CDAA CNC(=O)Cn1cc(-c2ccnc3[nH]ccc23)cn1 72168885 IKKYWJUIQFZXFE-UHFFFAOYSA-N 255.281 1.172 0 50 CDAA C[C@H](Cc1cnccn1)n1ccnc1-c1nccn1C 72168103 TYVLBKNGOCQSEJ-LLVKDONJSA-N 268.324 1.877 0 50 CDAA Cc1cnc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)nc1C 284481589 FOFWQPTYPZINMW-IIAWOOMASA-N 291.395 1.850 0 50 CDAA Cc1cccc(CCNC(=O)CN2CCCCCC2=O)n1 223254073 KBOMUSUXGWNTHG-UHFFFAOYSA-N 289.379 1.451 0 50 CDAA Cc1nnc(NC(=O)N2CCC[C@@H](CO)C2)s1 43412609 DHESUVFBECJKLR-MRVPVSSYSA-N 256.331 1.083 0 50 CDAA COc1ccc(C(=O)[C@H]2[C@@H]3[C@H]4CO[C@@H](O4)C(=O)[C@@H]23)cc1 229810505 XOMGUHWRYAUUOO-KYSMWIMPSA-N 274.272 1.064 0 50 CDAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ocnc1C1CC1 289459871 PXQCELXEGSSSAH-NSHDSACASA-N 291.351 1.539 0 50 CDAA Cn1cc(CCNC(=O)Cc2noc3ccccc23)cn1 42729446 KPXTXXHCEUDJER-UHFFFAOYSA-N 284.319 1.463 0 50 CDAA Nc1nc(NCCc2cccnc2)cc(C2CC(N)C2)n1 223556455 FCZQXAYQKGXHGV-UHFFFAOYSA-N 284.367 1.313 0 50 CDAA CC[C@@H](CNC(=O)c1cnc(-c2ccccn2)nc1)OC 426604577 RFBKYTZXMGDMHK-LBPRGKRZSA-N 286.335 1.693 0 50 CDAA CSC[C@@H]1CCCN(C(=O)NCc2n[nH]c(C)n2)C1 426623156 CSJHOTTYMQDCKJ-SNVBAGLBSA-N 283.401 1.398 0 50 CDAA CC(=O)NC(C)(C)C(=O)N[C@@H](C)c1ccc(C)nc1 426653013 UOXZQQZYLGENDX-JTQLQIEISA-N 263.341 1.482 0 50 CDAA O=C1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccn2)CCN1 180588040 XOWUCVHSHJFIEJ-ZETCQYMHSA-N 287.241 1.565 0 50 CDAA CCN1CC[C@@H](C(=O)NCc2csc(CSC)n2)C1 97636573 WCBNXCHFVGCQFV-SNVBAGLBSA-N 299.465 1.964 0 50 CDAA Cc1nn(C)c2nc(N[C@H](C)Cn3cncn3)sc12 95525079 REEOLUXVDDYXHR-SSDOTTSWSA-N 277.357 1.430 0 50 CDAA c1cc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ncc[nH]2)C3)ccn1 91819234 KXZMBQRVFPBHFY-JKSUJKDBSA-N 297.406 1.901 0 50 CDAA CCC[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1C(=O)O 91708002 JVHFPJQPZFGISN-GHMZBOCLSA-N 291.351 1.860 0 50 CDAA CCOC(=O)C1=NO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 95627013 CMQZHEFVUZNYSY-IUCAKERBSA-N 284.312 1.171 0 50 CDAA Cc1cnc(C(=O)N2CCCNC(=O)[C@@H]2CC(C)C)cn1 293883490 JXVIGKZUDQQXLM-ZDUSSCGKSA-N 290.367 1.162 0 50 CDAA Cc1cc(CNC(=O)CCc2ccncc2)n(C)n1 97572323 PXYAOIOPRRXZOD-UHFFFAOYSA-N 258.325 1.373 0 50 CDAA CC[C@@H](NS(=O)(=O)c1cn(C)cn1)c1nccs1 330869878 BCZSQVCQWANJPC-MRVPVSSYSA-N 286.382 1.306 0 50 CDAA CN1C[C@@H](NC(=O)c2cncc(Cl)c2)CCC1=O 244788094 QJHIPPLUYCBXOQ-JTQLQIEISA-N 267.716 1.086 0 50 CDAA CC(=O)OC[C@@H]1[C@H](COC(C)=O)[C@@H]2[C@@H]3[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5[C@@H]41 253494509 XTXBQHXJXASLQQ-NSXGCPQNSA-N 276.332 1.343 0 50 CDAA Cc1cccc(C(=O)N2CCc3c[nH]c(=N)nc3C2)c1O 623327339 DDBANISAUINJKB-UHFFFAOYSA-N 284.319 1.102 0 50 CDAA COCCn1cncc1CN(C)[C@@H](C)c1nc(C)no1 252486620 HMROZJZJQLMKME-JTQLQIEISA-N 279.344 1.414 0 50 CDAA CCOc1ncccc1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534663952 CPGZFHOHFIDZMP-ZYHUDNBSSA-N 289.335 1.030 0 50 CDAA COC[C@@H](NC(=O)c1[nH]nc(N)c1Cl)c1ccccn1 534672981 SBVAUWLHBANYAY-MRVPVSSYSA-N 295.730 1.158 0 50 CDAA O=C(COc1ccc(F)cc1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534581964 KYMIIFPVWYAFKW-NMWPEEMBSA-N 290.338 1.413 0 50 CDAA C[C@H](NC(=O)CCc1cnn(C)c1)c1nc(C2CC2)no1 534638580 UTDQONZAVWDZPU-VIFPVBQESA-N 289.339 1.491 0 50 CDAA O=C(COCc1ccccc1)N[C@@H]1CCc2c[nH]nc2C1 370422690 FYBQYBLOIWWOCE-CQSZACIVSA-N 285.347 1.600 0 50 CDAA O=C(Cn1nc2ccccc2n1)N=c1cc[nH]cc1Cl 1940195971 ZNPRZGFUCRRVNO-UHFFFAOYSA-N 287.710 1.540 0 50 CDAA Cc1ncn(CCNC(=O)Cc2ccncc2)c1C 827855586 LBKLJCGLWWTLLL-UHFFFAOYSA-N 258.325 1.254 0 50 CDAA CC(C)n1ccnc1CNC(=O)C1(Cn2ccnc2)CC1 827659494 WALBBFZYXKBUQH-UHFFFAOYSA-N 287.367 1.757 0 50 CDAA CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ncc(C)[nH]1 822650416 YYGSEXXWANTXNX-JTQLQIEISA-N 298.368 1.753 0 50 CDAA CN1CCN(Cc2cnc(N(C)C)c3ccccc23)CC1=O 585136937 ZEWLOAGVQXPGEB-UHFFFAOYSA-N 298.390 1.575 0 50 CDAA CN(Cc1noc(C2CCC2)n1)C(=O)c1ccc(=N)[nH]c1 584902885 GKAUMSADYATAJU-UHFFFAOYSA-N 287.323 1.417 0 50 CDAA Cc1ncn(CCNC(=O)CCc2cccnc2)c1C 670458006 KKRSFKBGMDCKAI-UHFFFAOYSA-N 272.352 1.644 0 50 CDAA COCc1nc([C@@H]2CCCN(c3ccccn3)C2)n[nH]1 584903635 MTDFPWUCKFMRAR-LLVKDONJSA-N 273.340 1.730 0 50 CDAA Cc1cccc(-n2ncnc2CC2CCNCC2)n1 670462309 YEZOOHKRMLPEOE-UHFFFAOYSA-N 257.341 1.513 0 50 CDAA CNC(=O)C[C@H]1CCN(C(=O)c2ccc3c(c2)CCC3)C1 670441471 IFGOVVNYDZUTHY-GFCCVEGCSA-N 286.375 1.774 0 50 CDAA Cn1ccnc1C1(O)CCN(c2ncnc3[nH]ccc23)CC1 1339806756 DVVWAKUKRYUGLH-UHFFFAOYSA-N 298.350 1.179 0 50 CDAA Cc1cnc(C(=O)N2C[C@H]3CCC[C@]3(N)C2)cc1C 1340676205 IFTKFYZNQBMXSR-DOMZBBRYSA-N 259.353 1.652 0 50 CDAA CC1CCC([C@H](N)C2(O)C[C@@H]3CC[C@H](C2)N3)CC1 958527734 FYZCWKGDDWSNBW-LARKOUOTSA-N 252.402 1.786 0 50 CDAA CO[C@H](CNC(=O)Cn1nc(C)cc1N)c1cccs1 952979302 ZUVNOGYSPXSSNR-SNVBAGLBSA-N 294.380 1.339 0 50 CDAA O=C(O)CCN1CCC[C@H](CNC(=O)CC2CCCC2)C1 952987672 MLYGTBDZAZGLBW-CQSZACIVSA-N 296.411 1.870 0 50 CDAA OC[C@@H]1CCCN(CCNc2ncnc3ccccc23)C1 952986001 VUMXLDWQAVODHT-CYBMUJFWSA-N 286.379 1.746 0 50 CDAA CC[C@H]1CC[C@H](C(=O)N2CCC(CC(=O)NC)CC2)O1 408246227 KQSHADHBPRBODI-QWHCGFSZSA-N 282.384 1.319 0 50 CDAA C[C@H]1CN(c2cc(Cl)c(O)nn2)C[C@@H](C2CC2)O1 408523399 JURGPVGCZUDBEM-XVKPBYJWSA-N 269.732 1.839 0 50 CDAA CS(=O)(=O)CCNC(=O)Nc1ccc2ccccc2n1 1476942201 ZVSDVIVWPWXDJU-UHFFFAOYSA-N 293.348 1.401 0 50 CDAA COC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 97463412 VOUBMNNPPWLOHA-GFCCVEGCSA-N 259.302 1.185 0 50 CDAA in-vitro c1cnn(C[C@@H]2CN(c3nc(C4CC4)ns3)CCO2)c1 301556471 ZYZONFIIUCOPJU-NSHDSACASA-N 291.380 1.517 0 50 CDAA c1cnn(C[C@H]2CN(c3nc(C4CC4)ns3)CCO2)c1 301556470 ZYZONFIIUCOPJU-LLVKDONJSA-N 291.380 1.517 0 50 CDAA CNC(=O)[C@@H](C)Nc1ccnc(Cc2ccccc2)n1 167035367 NGXNUVZNNFAKOD-LLVKDONJSA-N 270.336 1.614 0 50 CDAA O=C(C1=CCCCO1)N1CCc2ccccc2[C@@H]1CO 170084116 OUOLNKYCSBBLQE-AWEZNQCLSA-N 273.332 1.799 0 50 CDAA CC(=O)NC1CN(C(=O)NCC(C)(C)c2cccs2)C1 190109147 AOONVRZAIKVDHF-UHFFFAOYSA-N 295.408 1.556 0 50 CDAA C[C@@H]1CCN(CCc2ccccc2F)CCS1(=O)=O 192048802 DRENJMALVWOJDC-GFCCVEGCSA-N 285.384 1.877 0 50 CDAA COCCC1CCN(C(=O)[C@]23CCC[C@H]2NCC3)CC1 711328268 DJPSWWUFSWCCPL-ZBFHGGJFSA-N 280.412 1.794 0 50 CDAA CC[C@@H](C(=O)Nc1nccc(C)n1)N1CCCC1=O 194658576 JSCYGUHARKYYSO-JTQLQIEISA-N 262.313 1.125 0 50 CDAA CCc1cnc(CNS(=O)(=O)CC2CCCCC2)[nH]1 719117788 NQSHXXYLSHJODH-UHFFFAOYSA-N 285.413 1.972 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1cc(Cl)ccc1N 169994239 FPRDTGWBEGICCA-UHFFFAOYSA-N 271.553 1.176 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCS[C@@H]1CCC 900726336 ALNWEFYEARXFPE-CYBMUJFWSA-N 270.398 1.723 0 50 CDAA O=C(O)CN(Cc1ccccc1)C(=O)c1cn[nH]c1 692523356 MXBKHSWARGCYJN-UHFFFAOYSA-N 259.265 1.137 0 50 CDAA CCN1CCCN(C(=O)N[C@H]2C[C@@H]2C2CCC2)CC1=O 1615045257 MHMKALJVOOBLJA-OLZOCXBDSA-N 279.384 1.439 0 50 CDAA C[C@H]1CCCC[C@H]1CC(=O)N1CC(CO)(CO)C1 1616037364 IRYLJLSFJBSXHE-RYUDHWBXSA-N 255.358 1.016 0 50 CDAA CO[C@@H]1C[C@@H]2CN(C(=O)C3CC3)Cc3cccnc3N2C1 1649969448 PGQXJQVAOFHTCE-ZIAGYGMSSA-N 287.363 1.428 0 50 CDAA CN(C)C[C@@H]1CCN(c2cc(NC3CC3)nc(N)n2)C1 1506419137 YFRISXXBPHRVMX-JTQLQIEISA-N 276.388 1.021 0 50 CDAA Cc1ccc2nc(CN(C)CCn3cnnc3)[nH]c2c1 1506404789 AJWDEODJMCWXBM-UHFFFAOYSA-N 270.340 1.595 0 50 CDAA CC(C)(O)[C@@H]1CCN(C(=O)Cc2cccc(O)c2)C1 215615199 LZKGXKQTRXXGDA-GFCCVEGCSA-N 263.337 1.554 0 50 CDAA CN1CCN(Cc2ccc(F)c(F)c2)C[C@@H]1CCO 19839291 WXGWRWJZTHPTCV-LBPRGKRZSA-N 270.323 1.463 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)CCn1ccnc1C 1529153114 QFJFXJKYUYMJGM-UHFFFAOYSA-N 275.356 1.825 0 50 CDAA O=C(O)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O 192819 FEBGJFDHHPHOII-UHFFFAOYSA-N 274.257 1.642 0 50 CDAA NCCNS(=O)(=O)c1cc2cc(Cl)ccc2s1 225477510 KPIHQYPRJADZIC-UHFFFAOYSA-N 290.797 1.792 0 50 CDAA CCCN1CCN(C(=O)c2ccc(OC)cc2)CC1 3622847 QZPCHISLRWVGNR-UHFFFAOYSA-N 262.353 1.863 0 50 CDAA Cn1nc(CC(C)(C)C)cc1NC(=O)C1(C)COC1 329360739 CFKOOPLEUOBJRK-UHFFFAOYSA-N 265.357 1.984 0 50 CDAA CS(=O)(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 336533706 FHJBRFHMBAXDJH-UHFFFAOYSA-N 297.302 1.568 0 50 CDAA OCc1ccc(F)cc1I 136732250 VRWAPLMYVQHMSE-UHFFFAOYSA-N 252.026 1.923 0 50 CDAA in-vitro C[C@@H](N)C(=O)N(C)CCCOc1ccc(Cl)cc1 154776802 IJSZBVZYBLGYGY-SNVBAGLBSA-N 270.760 1.915 0 50 CDAA CC[C@H]1CCCCN1CC(=O)N1CCO[C@@H](C)C1 229272015 SEPHBJQEONUAGO-STQMWFEESA-N 254.374 1.498 0 50 CDAA CCOC(=O)[C@H](Cc1ccccc1)[N@]1C[C@@H]1C(=O)OC 1857666464 VYHXXEAMSGRODS-ZENOOKHLSA-N 277.320 1.018 0 50 CDAA Cc1cc(C)n([C@@H]2CCN(c3cncc(N)n3)C2)n1 1857680050 FXMJABCZCZLUDN-LLVKDONJSA-N 258.329 1.324 0 50 CDAA O=C(CC1=CCCC1)N1CCC([C@@H](O)CO)CC1 1772712404 RKIPOSDLRTZGNF-ZDUSSCGKSA-N 253.342 1.079 0 50 CDAA CCCOc1cc(C)ccc1S(=O)(=O)N1CCOCC1 12998466 BNPNCNMHYSNIBW-UHFFFAOYSA-N 299.392 1.805 0 50 CDAA COc1cccc(C(=O)N2CCCN(C)CC2)c1OC 6725751 ATKGLOHQPDWZOR-UHFFFAOYSA-N 278.352 1.482 0 50 CDAA C[C@H]1CN(C(=O)C(Cl)(Cl)Cl)C[C@@H](C)O1 15856691 WZNTZUNQQHXZTK-OLQVQODUSA-N 260.548 1.992 0 50 CDAA COC(=O)c1ccc(OC)cc1OCCN1CCOCC1 16215580 JYBLDPLWHCLGAJ-UHFFFAOYSA-N 295.335 1.193 0 50 CDAA Cn1c(=O)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 18285311 STJIQIMUBRBSCN-UHFFFAOYSA-N 266.322 1.140 0 50 CDAA CCN1CCN(CCC(=O)Nc2ccc(F)cc2)CC1 19528182 QTCGJEARGNQBLM-UHFFFAOYSA-N 279.359 1.792 0 50 CDAA COc1cc(-c2nc(CN[C@H](C)CO)c(C)o2)ccc1O 1857667019 JSWCHERQYBAKLS-SECBINFHSA-N 292.335 1.835 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1Cc1cnn(-c2ccccc2)c1 1857686928 JLWIZPJOHRYBTP-HUUCEWRRSA-N 282.347 1.335 0 50 CDAA Cc1nc(O)cc(CNC(=O)c2nc3ccccn3c2C)n1 1857710067 GLUGLNSUBRZLFM-UHFFFAOYSA-N 297.318 1.377 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)c1n[nH]c3c1CCC3)C2 1857710568 DOSXOOGPQJZCJB-UHFFFAOYSA-N 268.320 1.758 0 50 CDAA CCc1nccc(-c2nccn2CCc2cnn(C)c2)n1 1875243695 SVUGMLJHMGASIL-UHFFFAOYSA-N 282.351 1.879 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1OCc1ccccc1)C1CC1 709947169 BWPFVNFCHJLIQJ-GJZGRUSLSA-N 275.348 1.887 0 50 CDAA O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccccc1Cl 2864590 NOUPYYMNWHLZLF-VIFPVBQESA-N 282.727 1.574 0 50 CDAA CCO[C@@H]1C[C@H](OC(=O)[C@@H]2CCNC(=O)C2)C12CCC2 130263407 GJAYQDBKJRKAKH-UTUOFQBUSA-N 281.352 1.404 0 50 CDAA CNC(=O)Cc1noc(-c2cc(O)nc3ccccc23)n1 253431905 VCJKYXIKKJMJFK-UHFFFAOYSA-N 284.275 1.279 0 50 CDAA Cn1ncc(CN(CCc2ccccc2)[C@H]2CCOC2)n1 809953649 PSTVIKNIROQFLM-INIZCTEOSA-N 286.379 1.649 0 50 CDAA CN(C[C@@H]1CCCO1)C(=O)c1ccc(OC(F)F)nc1 931587794 ABXMMQYVMGVEQQ-JTQLQIEISA-N 286.278 1.934 0 50 CDAA Cc1nc(O)nc(O)c1NC(=O)C[C@H]1CCCC1(F)F 934364054 QNEDGFDNEAPULW-SSDOTTSWSA-N 287.266 1.960 0 50 CDAA Cc1ccc([C@@H]2C[C@H]2C(=O)NS(C)(=O)=O)cc1C 850734105 FRHQRZBDJBKPSG-NWDGAFQWSA-N 267.350 1.483 0 50 CDAA O=C(Nc1c(F)cccc1F)N1CCN2CC[C@H]1C2 952848905 KXUJTLZEIMBUOM-VIFPVBQESA-N 267.279 1.887 0 50 CDAA C[C@@H](NCc1ccsc1S(N)(=O)=O)C1CC1 952883703 OTZVTJMAZCPZQL-SSDOTTSWSA-N 260.384 1.284 0 50 CDAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)c1coc(C2CCC2)n1 1875311387 XIGLISQBGCCSSY-YTWAJWBKSA-N 290.319 1.781 0 50 CDAA O=C(NC1CSC1)c1ccc(-c2cc[nH]n2)s1 880729997 JTRULNASTNTFKE-UHFFFAOYSA-N 265.363 1.983 0 50 CDAA CCCc1occc1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 887002559 LMECTVDRONHQFR-ZIAGYGMSSA-N 293.363 1.892 0 50 CDAA CCn1nc(C)cc1C(=O)NCC1(C2(O)CCC2)CC1 887526452 BUPBIJODUJUPQT-UHFFFAOYSA-N 277.368 1.636 0 50 CDAA COCCN1CCC(N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1775961791 AJOYJWHEHHXIMM-IAGOWNOFSA-N 289.423 1.312 0 50 CDAA COCCS(=O)(=O)Nc1ccc(Cl)c2cn[nH]c12 1775991990 IKXBGFOARIOBHE-UHFFFAOYSA-N 289.744 1.604 0 50 CDAA O=C1c2ccccc2C(=O)N1c1ncnc2[nH]ccc12 38600736 YSYAPIRTBKWOCS-UHFFFAOYSA-N 264.244 1.759 0 50 CDAA in-vitro CCCC[C@@H](CN)NC(=O)c1[nH]nc2ccccc12 130419911 ZCBMCWIKPPAAPS-JTQLQIEISA-N 260.341 1.810 0 50 CDAA OCC1(CNc2ncnc3[nH]ccc23)CCOCC1 269588038 BVMQPPIHLSQCBS-UHFFFAOYSA-N 262.313 1.159 0 50 CDAA O[C@H](COc1ccccc1)CN1CCC(F)(F)C1 345831105 XSMAIOKLKBUILD-NSHDSACASA-N 257.280 1.767 0 50 CDAA Cc1ncnc(C)c1C(=O)N[C@@H](CC(=O)O)CC(C)C 426658403 OLUINBMTSASWPJ-LLVKDONJSA-N 279.340 1.713 0 50 CDAA Cn1c(CCN)nnc1SCC[C@H]1CC1(F)F 426698265 NTEHKBLYJYEZJD-ZETCQYMHSA-N 262.329 1.454 0 50 CDAA COCc1nc(CN2CCC[C@@H](n3cncn3)C2)cs1 331876342 UJYNHZATNJMPOP-GFCCVEGCSA-N 293.396 1.718 0 50 CDAA O=C(N[C@]1(CO)CCOC1)[C@@H]1CCC[C@@H]2CCCC[C@H]21 332791107 XEZOMOOYTIIFKR-NHIYQJMISA-N 281.396 1.861 0 50 CDAA Cn1cc(Cl)c(C(=O)N2CCC(CCN)CC2)n1 638393039 NEHDHZWRRDFXJB-UHFFFAOYSA-N 270.764 1.275 0 50 CDAA CN1CCC(C)(C(=O)NCCC2(O)CCCC2)CC1 670464107 OHXUYUJLPBLQEB-UHFFFAOYSA-N 268.401 1.530 0 50 CDAA Cc1nnccc1C(=O)NC1(CO)CCCCCCC1 713435539 SBJLTQSXXTWUFB-UHFFFAOYSA-N 277.368 1.990 0 50 CDAA O=C(CCc1cn[nH]c1)NCc1cc(C2CC2)n[nH]1 827820453 PZZWTXQOYGORGY-UHFFFAOYSA-N 259.313 1.259 0 50 CDAA O=C(O)C[C@@H](NC(=O)c1ccncc1)C(F)(F)F 829372462 VGUKNCSVTHSQMH-SSDOTTSWSA-N 262.187 1.217 0 50 CDAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)C1CCSCC1 2325778400 XXYBNNNJHFISDM-DDHJBXDOSA-N 283.393 1.745 0 50 CDAA CC1(C)C=C(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)C1 2325779980 WODYMLAXJQXXFN-SECBINFHSA-N 277.324 1.838 0 50 CDAA Cc1ccccc1-c1nccc(N(C)C2CNC2)n1 2325796658 BBKSGVRWWUNWAK-UHFFFAOYSA-N 254.337 1.860 0 50 CDAA Cc1cnc(C)c(N2CC(N3CCC(CCO)CC3)C2)n1 2325807945 MAHJRVFSUWHBOS-UHFFFAOYSA-N 290.411 1.376 0 50 CDAA OCCn1cc(N[C@@H]2CCOC23CCCC3)cn1 903140742 HMSQUOXPDYODHJ-GFCCVEGCSA-N 251.330 1.389 0 50 CDAA C[C@H](N)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 121581029 WQYINDSPEMMTEK-IACUBPJLSA-N 262.353 1.448 0 50 CDAA CCc1c(C)[nH]c2nnc(-c3ccccc3OC)n2c1=O 34728 UUTUIIBWYGFEDU-UHFFFAOYSA-N 284.319 1.964 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)O)cc1 306200 QMMCDUMVSRECJR-SNVBAGLBSA-N 287.362 1.143 0 50 CDAA O=S(c1ccc(O)cc1O)c1ccc(O)cc1O 401238 YNHHSHCJKICJLU-UHFFFAOYSA-N 266.274 1.676 0 50 CDAA COC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 581240 QSFJTGWZKPKSJN-LLVKDONJSA-N 285.365 1.631 0 50 CDAA CNC(=O)CSc1nnc(-c2ccccc2)n1C 904331 QQRUZULKNFHRFR-UHFFFAOYSA-N 262.338 1.320 0 50 CDAA CCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 1599108 BDSGAJPGMFKPCZ-UHFFFAOYSA-N 256.327 1.333 0 50 CDAA O=c1[nH]c2ccc(I)cc2c(=O)o1 1635485 JHQFCSRQZPCIHR-UHFFFAOYSA-N 289.028 1.086 0 50 CDAA CNC(=O)Cn1cc(-c2cc3c(cc2OC)OCO3)cn1 2356137616 RTMSLNVMLHKTOA-UHFFFAOYSA-N 289.291 1.033 0 50 CDAA CC(C)(C)NC(=O)CN1Cc2ccccc2CCC1=O 2356162583 FWLJXBXZRVNJKX-UHFFFAOYSA-N 274.364 1.876 0 50 CDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCCC1 2493342 CYDFTQZJAGEURD-UHFFFAOYSA-N 283.349 1.868 0 50 CDAA O=C(NCc1ccccc1)C(=O)NC1CCCCC1 2494684 WIZBSALKWXYRPZ-UHFFFAOYSA-N 260.337 1.752 0 50 CDAA CC(C)NC(=O)C(=O)NCc1ccccc1Cl 2988523 DSZURESEYXVQAP-UHFFFAOYSA-N 254.717 1.481 0 50 CDAA COC(=O)c1nc2ccccc2c(O)c1C(=O)OC 4344208 KKGVIMBVPGLRDQ-UHFFFAOYSA-N 261.233 1.514 0 50 CDAA CN1C(=O)[C@@H](N)N=C(c2ccccc2)c2ccccc21 4375653 MWASGDJOVNIDEM-HNNXBMFYSA-N 265.316 1.785 0 50 CDAA C[C@@H](CCSc1ccccc1)N1CCO[C@@H](C(N)=O)C1 222126731 NVDOKMLTOGMXNN-GXTWGEPZSA-N 294.420 1.743 0 50 CDAA Cc1nc(C)c(C(=O)N(C)C2CCNCC2)s1 226206691 DHTNTJLWGQGSFO-UHFFFAOYSA-N 253.371 1.584 0 50 CDAA COC(=O)[C@H]1CCc2sc(NC(=O)C3CC3)nc2C1 421625489 CDYGGMWUHIQOLG-QMMMGPOBSA-N 280.349 1.770 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 20427443 ABCYACJEIBTFEM-LLVKDONJSA-N 271.324 1.534 0 50 CDAA CCCc1noc([C@H](C)NC(=O)[C@H](C)N2CCCC2=O)n1 20998535 GXIOVAWQCQCTCI-UWVGGRQHSA-N 294.355 1.210 0 50 CDAA CN(C)C[C@@H]1CCN(S(=O)(=O)CC2CCCC2)C1 178340236 RCOHXIFJDPSONJ-ZDUSSCGKSA-N 274.430 1.390 0 50 CDAA COC(CN1CCN(Cc2ccc(F)cc2C)CC1)OC 65498950 VDDWZDLRKDCEFF-UHFFFAOYSA-N 296.386 1.871 0 50 CDAA O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C(F)F 248736642 OOWNSQVUCRSZPV-RYUDHWBXSA-N 284.306 1.003 0 50 CDAA O=C1CCN(C(=O)[C@H]2CCCO2)c2ccccc2N1 118619777 XOSCLIJXWGKNRN-GFCCVEGCSA-N 260.293 1.541 0 50 CDAA Cc1ccc(C(=O)NCc2cccnc2N(C)C)c(=O)[nH]1 67773252 FSGUAIGRNQWZDD-UHFFFAOYSA-N 286.335 1.074 0 50 CDAA C[C@H](C(=O)N1C[C@H](CO)c2ccccc21)c1cncnc1 329308051 ZLUUZHOIARDCAJ-WCQYABFASA-N 283.331 1.703 0 50 CDAA NC[C@@H]1Cc2cc(F)cc(-c3cnc(N)nc3)c2O1 67714840 XTBXBBHKPGKVQT-JTQLQIEISA-N 260.272 1.127 0 50 CDAA CCc1nc(C)ccc1OCc1nnc2n1CCOC2 280814241 UDSZXLVLCSMMBI-UHFFFAOYSA-N 274.324 1.653 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2[C@@]2(C)CCCO2)C1 601045236 UMCYAHVGMKJAKT-TVQRCGJNSA-N 265.313 1.039 0 50 CDAA O=S(=O)(c1ccccc1)n1nnc2ccccc21 198598 ZMGFTNXUMSRNMD-UHFFFAOYSA-N 259.290 1.668 0 50 CDAA biogenic O=C(COCc1ccccc1)N1[C@H]2CC[C@@H]1CCNC2 65467672 DVHQXHOZODAGMN-CABCVRRESA-N 274.364 1.556 0 50 CDAA COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)NCC[C@]314 38816863 JGORUXKMRLIJSV-YNHQPCIGSA-N 285.343 1.591 0 50 CDAA CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1 36139575 NIJGWJIOMPHDBP-UHFFFAOYSA-N 269.352 1.478 0 50 CDAA in-vitro CN(C)c1cccc(NC(=O)NO[C@H]2CCCCO2)n1 124247987 QFJTYCQUSOYTMP-LBPRGKRZSA-N 280.328 1.727 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 429501515 ACUOTQOYZOCFIN-LLVKDONJSA-N 260.341 1.178 0 50 CDAA O=C(O)C(=O)CC(=O)c1ccc(-n2ccnc2)cc1 39564212 OVOSHZKYVCDNHX-UHFFFAOYSA-N 258.233 1.099 0 50 CDAA CO[C@@H](C)CS(=O)(=O)NCc1csc(C(C)C)n1 253425345 CRSQUEPDEDQKNG-VIFPVBQESA-N 292.426 1.721 0 50 CDAA Cc1cc(C)n(CCN(C)Cc2cnc(N(C)C)nc2)n1 215285012 PXYAKKOPQCIPQP-UHFFFAOYSA-N 288.399 1.488 0 50 CDAA O=C(CCCn1cncn1)N1CCC[C@@H]1c1ccccn1 72408645 BQGXJIZVTZCVAB-CQSZACIVSA-N 285.351 1.817 0 50 CDAA COC[C@H](C)NC(=O)CCn1cnc2ccccc21 78533728 GAEHVJMAGWKTBU-NSHDSACASA-N 261.325 1.578 0 50 CDAA COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1O[C@@H](C)C[C@H]1C 375695929 FYKDOHAVBUILFY-CLHCLYRXSA-N 295.379 1.600 0 50 CDAA CC[C@H]1COCCN1C(=O)c1ncc(F)cc1F 77407024 CKMGRUHYRHRRAK-VIFPVBQESA-N 256.252 1.611 0 50 CDAA O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCNC[C@H]1c1cccnc1 261783298 POFSRBACJBWZSA-LJISPDSOSA-N 271.364 1.601 0 50 CDAA CCCn1ncc(C(=O)N2CCC3(CCO3)CC2)c1C 216199550 OVLQWKCJCCDXDP-UHFFFAOYSA-N 277.368 1.997 0 50 CDAA Cc1nc(CN(CCN(C)C)C[C@H]2CCCO2)co1 216205529 YPDUYMPJJXZUKY-CQSZACIVSA-N 267.373 1.526 0 50 CDAA CCNCCNS(=O)(=O)c1cc(C)c(OC)cc1C 237018950 SBLCFISMOGFMRA-UHFFFAOYSA-N 286.397 1.200 0 50 CDAA O=C(O)CNC(=O)c1cc(C2CC2)nn1-c1ccccc1 262170619 QMNMVJOYBLEEJF-UHFFFAOYSA-N 285.303 1.564 0 50 CDAA C[C@H](C(=O)NC[C@]1(O)CCC[C@@H]1C)c1ccnn1C 333735100 LOEBIBOBQDQGCR-COPLHBTASA-N 265.357 1.191 0 50 CDAA CC(=O)Nc1cccc(-c2c(C)n(C)c(=O)n(C)c2=O)c1 32598053 SLWFQFUQIHPSLT-UHFFFAOYSA-N 287.319 1.018 0 50 CDAA O=C(c1ccn(-c2ccccc2F)n1)N1CCNCC1 237899284 PMXLNDUAGIAWIT-UHFFFAOYSA-N 274.299 1.057 0 50 CDAA Cc1c[nH]cc1C(=O)N1CCOC[C@H]1[C@H]1CCCN1C 520566404 XXVQAFHFSGAGHJ-KGLIPLIRSA-N 277.368 1.258 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)c2cnc(C)[nH]c2=O)cn1 219431664 PPTVBTNWOQGYCR-SECBINFHSA-N 272.308 1.273 0 50 CDAA COC(=O)c1ccc(CN2C[C@@H](C)[C@](C)(C(=O)OC)C2)o1 282532486 QJKPBFWRJYWXBH-MEBBXXQBSA-N 295.335 1.697 0 50 CDAA CCC(N)(CC)CNS(=O)(=O)N1CCCCCC1 130032706 VKEZMEUULCCRAW-UHFFFAOYSA-N 277.434 1.214 0 50 CDAA Cc1cc(C)cc([C@@H](O)CNCc2cncn2C)c1 283010805 OSNSIEPPIXPZBQ-HNNXBMFYSA-N 259.353 1.860 0 50 CDAA CC(C)[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)C(=O)O 263199469 UUYKWIHPXQHDAJ-SSDOTTSWSA-N 291.229 1.334 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(c2ncccc2Cl)C1 284549450 MLWCZNHWLILCFN-SCZZXKLOSA-N 279.731 1.820 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2cccc3cc[nH]c23)C1 284643893 UTTMWUWNUZKHTC-STQMWFEESA-N 273.336 1.243 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1C 284835943 WDZDQOLXYCQGCA-DGCLKSJQSA-N 296.392 1.045 0 50 CDAA c1ccc(CN2CC[C@@H](Nc3ncncn3)C2)cc1 220558136 NRDNBSPYHRNLDR-CYBMUJFWSA-N 255.325 1.558 0 50 CDAA Cc1cc(C)n(CCCC(=O)N(C)C[C@@H]2COCCO2)n1 220155057 VSHMSIPTYFKBQS-CQSZACIVSA-N 295.383 1.154 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)COc1ccc(F)cc1 222581747 BHYKDBHFLDUKGM-JTQLQIEISA-N 292.314 1.693 0 50 CDAA COCCC(=O)NC[C@H]1CCN(c2ccccc2C)C1 223201369 SSDZPVITZBSMMO-CQSZACIVSA-N 276.380 1.974 0 50 CDAA Cn1nc(-c2cccc(CO)c2)nc1N1CCCCC1 426582781 HXDZQVLATJYLQG-UHFFFAOYSA-N 272.352 1.965 0 50 CDAA Cc1cn2cc(C(=O)N3CCN[C@H](C)C3)ccc2n1 82160840 BKGFNFGPOYCIKD-SNVBAGLBSA-N 258.325 1.077 0 50 CDAA CCN(C)[C@@H](C(=O)N1CC[C@H](C(=O)O)C1)c1ccccc1 178259929 YSNBVXKNYADDAM-UONOGXRCSA-N 290.363 1.613 0 50 CDAA Cc1onc(N)c1S(=O)(=O)N[C@H]1CCCC1(C)C 290682845 HGCWBSHLFXWAGF-QMMMGPOBSA-N 273.358 1.422 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCc3ccccc3O2)n(C)n1 97360179 PWPCBTCUDNQPGC-CYBMUJFWSA-N 285.347 1.852 0 50 CDAA CCCc1ncc(C(=O)N2CC[C@H](C(=O)O)C2)s1 236940645 GDCNDLOQSJXZAD-QMMMGPOBSA-N 268.338 1.642 0 50 CDAA CC[C@@H](C(=O)NCCNc1cc(C)ccn1)n1cccn1 91621030 SCDVNLPZXIDZPK-ZDUSSCGKSA-N 287.367 1.766 0 50 CDAA Cc1cnc(CNC(=O)c2cnc3c(c2)CCCC3)cn1 97773155 JPUJLXDNTSLTRA-UHFFFAOYSA-N 282.347 1.989 0 50 CDAA COCc1cc(N2CC[C@@H](CC(=O)OC)C2)ncn1 95373178 XOVHBKUSFAUKOG-JTQLQIEISA-N 265.313 1.012 0 50 CDAA Cc1cnc(CNC(=O)c2nn(C)cc2Cl)cn1 97654135 SHJOMRXEGWWVDM-UHFFFAOYSA-N 265.704 1.102 0 50 CDAA CC[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1C(C)C 91426453 SKOPAUXXMJBFEW-CQSZACIVSA-N 291.395 1.330 0 50 CDAA Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)no1 235988726 LFMZHKZTQKZRET-MPKXCIJOSA-N 262.265 1.444 0 50 CDAA Cc1nn(C)c2nc(NCCN3CCCOC3=O)sc12 95501514 NTFBWUIREZZNGH-UHFFFAOYSA-N 295.368 1.592 0 50 CDAA COCc1nc(CNc2ncnc3cccc(F)c23)no1 91494001 CYUJJZCUHHJNFC-UHFFFAOYSA-N 289.270 1.910 0 50 CDAA CCn1ccc(CN2CCN(CC3CC3)[C@H](CCO)C2)n1 244633313 GAUWTTYQFGIKPD-MRXNPFEDSA-N 292.427 1.182 0 50 CDAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1C 244734648 NJLKFMJLAREXSB-IAZYJMLFSA-N 290.319 1.237 0 50 CDAA CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccccc1F 299750228 MYTCSCGICKVYFH-ZJUUUORDSA-N 279.311 1.940 0 50 CDAA NC[C@@H]1CCCCN1C(=O)COc1cccc(F)c1 299740116 VYQCFNPFLNQQIW-LBPRGKRZSA-N 266.316 1.544 0 50 CDAA O=C(CCC(=O)NC1CCCCCC1)NC[C@@H]1CCCN1 534644052 GCFWBSDGUUIDLE-AWEZNQCLSA-N 295.427 1.474 0 50 CDAA Cc1ccc(-n2cnnc2)cc1NC(=O)N1CC[C@@H](O)C1 299760944 SBWMFBRSECZVTN-GFCCVEGCSA-N 287.323 1.174 0 50 CDAA Cc1nccn1[C@@H](C)CC(=O)NC(C)(C)C(=O)O 299775856 KKLJRQJRLJLNTP-QMMMGPOBSA-N 253.302 1.122 0 50 CDAA CC[C@@H](NS(=O)(=O)N1CCCC1)c1ncc(C)[nH]1 822650325 DLYGDNVQJOBLOB-SNVBAGLBSA-N 272.374 1.099 0 50 CDAA C[C@]1(O)C[C@@H](NC(=O)c2cccc3c2OCCO3)C1 668034172 GJWKWGNXIGEAFG-DEZZCRIOSA-N 263.293 1.101 0 50 CDAA CC(C)OCC(=O)N(C)CCN(C)C1CCCC1 584893443 WTQVRFVJXMWIHP-UHFFFAOYSA-N 256.390 1.744 0 50 CDAA O=c1c2cccc(F)c2ncn1CC1CCOCC1 584889189 RUOQXVVHGMRSBJ-UHFFFAOYSA-N 262.284 1.962 0 50 CDAA Cc1cccc(F)c1C(=O)N[C@@H](C)c1nc(=N)[nH][nH]1 584904148 FTSPCLWNGREFLJ-ZETCQYMHSA-N 263.276 1.156 0 50 CDAA CCS(=O)(=O)NC[C@H](C)NCc1cnc(C)c(C)c1 584894020 WBLLICANMDDTJS-NSHDSACASA-N 285.413 1.116 0 50 CDAA CCOC(=O)[C@@H]1Nc2ccccc2-c2nc(=O)c(C)nn21 585157954 WKNWJYCYIZSCRT-GFCCVEGCSA-N 286.291 1.101 0 50 CDAA O=C(Cc1c(O)ncnc1O)NCCCc1ccccc1 585134313 MSUGVFNJGGQPNC-UHFFFAOYSA-N 287.319 1.179 0 50 CDAA Cc1noc(-c2ccc(C(=O)OCc3cnnn3C)cc2)n1 1327559908 LMWOBNPUIPDZQY-UHFFFAOYSA-N 299.290 1.531 0 50 CDAA Cc1nc(-c2ccc(Cn3nnnc3C)cc2)n[nH]1 670461429 MJRUDSWEPKZWIY-UHFFFAOYSA-N 255.285 1.123 0 50 CDAA CCCc1cc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)n[nH]1 681788671 JEGZQFDXUCFMKB-DGCLKSJQSA-N 264.373 1.575 0 50 CDAA Cn1cc(CC(=O)Nc2ccc3c(=O)[nH]ccc3c2)cn1 1557421257 NUSHHEKWOHMSNJ-UHFFFAOYSA-N 282.303 1.443 0 50 CDAA COc1cccc(C)c1C(=O)N1CCC[C@H]1C(N)=O 952868131 BXYNJHLHHVUROJ-JTQLQIEISA-N 262.309 1.094 0 50 CDAA CSCC(=O)N1CCC[C@@H](CNC(=O)c2ccoc2)C1 952979447 NAFXDXBGAGTWQW-NSHDSACASA-N 296.392 1.611 0 50 CDAA CC(C)c1nnsc1CNC(=O)[C@@H](C)Cn1cncn1 952970065 PTFLGBRSHINPCM-VIFPVBQESA-N 294.384 1.206 0 50 CDAA COc1ccccc1OCCCN1CC[C@](C)(O)[C@H](O)C1 1565530649 WKQRXCBHEYIDPH-CVEARBPZSA-N 295.379 1.282 0 50 CDAA C[C@H](O)[C@H]1CCN(c2cc(N3CCC[C@@H](F)C3)ncn2)C1 408473169 ZGABGEZUIGKZTM-RWMBFGLXSA-N 294.374 1.622 0 50 CDAA CC(C)n1ccc(C(=O)N2C[C@@H]3CCN(C)C[C@@H]3C2)n1 408517992 RFODFWHPGQXFNY-QWHCGFSZSA-N 276.384 1.488 0 50 CDAA CCOC[C@@H]1CCN(C(=O)c2ccc(Cl)nc2N)C1 408522195 FIHLKOSCPWMYLZ-SECBINFHSA-N 283.759 1.816 0 50 CDAA C[C@@H](Cc1ccccc1F)C(=O)N1CCOC[C@H]1C(=O)O 268986440 QIDSMTXQPPTOLG-GWCFXTLKSA-N 295.310 1.316 0 50 CDAA CC(C)[C@H](CNC(=O)C1CC1)NC(=O)c1cscn1 1399543886 XZDWJAQZAUOKAE-JTQLQIEISA-N 281.381 1.424 0 50 CDAA c1cc([C@H]2OCCC[C@@H]2NCc2ncc[nH]2)ccn1 275479543 IHQMENZXJLBIAD-GXTWGEPZSA-N 258.325 1.815 0 50 CDAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC(C)(O)C1 170614780 RQLNHLVZKKUBRT-NXEZZACHSA-N 251.351 1.753 0 50 CDAA Cc1cccc2c1C[C@H](C(=O)NCc1ncccc1O)N2 638279802 SCXAOKISNHWEAD-CYBMUJFWSA-N 283.331 1.749 0 50 CDAA CCCS(=O)(=O)N[C@H](C)CN1CCC[C@H](C)C1 189151111 RARGNOWWILPFCH-NWDGAFQWSA-N 262.419 1.436 0 50 CDAA CCC[C@]1(C)C(=O)NCCN1C(=O)c1occc1C 189826797 SVVWTMNATINMFU-CQSZACIVSA-N 264.325 1.719 0 50 CDAA COc1cccc(CNC(=O)[C@H]2CCCO[C@H]2C)n1 190791394 MFIVDALKGONUJO-JQWIXIFHSA-N 264.325 1.522 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(C(=O)c2ccccc2O)CC1 191407672 SGIBBZFUWIDCML-LBPRGKRZSA-N 292.335 1.013 0 50 CDAA CC(C)(O)C(=O)N1CC[C@]2(C1)OCc1ccccc12 191894046 SZRUOUUOHXJROE-OAHLLOKOSA-N 261.321 1.415 0 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CDAA COCCCn1cnnc1CNc1cnc2ccccc2n1 1506411112 HFOWZYJGSCPMRT-UHFFFAOYSA-N 298.350 1.870 0 50 CDAA CCCn1nc(C)c(NC(=O)CCCNC(C)=O)c1C 1529167442 JLHSRQORKWSXAB-UHFFFAOYSA-N 280.372 1.765 0 50 CDAA Cc1nc(O)cc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)n1 1529160030 ZSJSOVUHPMIZAN-WVKUQDAKSA-N 277.368 1.472 0 50 CDAA Cc1ncc(Cl)c(N2CCN(CCCN(C)C)CC2)n1 1704313023 FAXRQNXYLAQIMB-UHFFFAOYSA-N 297.834 1.512 0 50 CDAA Cc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)c1C 1704303383 IDJSPDPQPRYMLU-CVEARBPZSA-N 288.391 1.592 0 50 CDAA Cc1nc(C(C)(C)NC(=O)[C@H](C)CN)sc1C 262404157 PWZQULJMACWKJE-SSDOTTSWSA-N 255.387 1.706 0 50 CDAA COc1ccc(C(=O)N2CC(Cn3ccnn3)C2)cc1F 1775967364 OLQVTNUUQMEUDY-UHFFFAOYSA-N 290.298 1.198 0 50 CDAA O=C([C@H](O)c1cccc(F)c1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775979220 YSSTTXCLMNPHGT-UVLXDEKHSA-N 279.311 1.088 0 50 CDAA COCCNC(=O)c1cccc(NC(=O)C2CC2)c1 12404433 JHBBGPVZQQQDKH-UHFFFAOYSA-N 262.309 1.411 0 50 CDAA Cc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1C 13281342 AQYYKCVAWFQYRQ-UHFFFAOYSA-N 283.331 1.953 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YVNPTCPPWHROHV-BDAKNGLRSA-N 290.241 1.120 0 50 CDAA CCc1noc(C)c1Cn1cc(S(C)(=O)=O)cn1 901603711 RSZUNNIUFFPOAP-UHFFFAOYSA-N 269.326 1.194 0 50 CDAA CC(F)(F)C1(C(=O)N2C[C@H]3CCC[C@]3(N)C2)CC1 1328589442 MDSHIGBBVLIPLR-RNCFNFMXSA-N 258.312 1.762 0 50 CDAA CCC1(F)CN(C(=O)NCc2c(O)nnc(C)c2C)C1 2325769854 ZLPFHOZVBXTRCT-UHFFFAOYSA-N 282.319 1.443 0 50 CDAA C[C@@H]1CC[C@@H]2CN=C(N[C@H](C)c3ccnn3C)N2C1 2325801803 XFRZWBFOJMAFFK-IJLUTSLNSA-N 261.373 1.541 0 50 CDAA C[C@@H]1CN(c2ccccc2F)CCN1C(=O)[C@H]1CCOC1 248956097 AMUIKGRFNLAEFX-OLZOCXBDSA-N 292.354 1.899 0 50 CDAA CN1CCN(c2cccc(Br)n2)CC1 5914 KEYDJYZYBWRMLD-UHFFFAOYSA-N 256.147 1.596 0 50 CDAA Cc1ccc2c(c1)[C@@](O)([C@@H]1COC(C)(C)CC1=O)C(=O)N2 229554 XNHZGZZHBFCLPG-BDJLRTHQSA-N 289.331 1.519 0 50 CDAA biogenic COC(=O)C1=NN(C(=O)C(C)C)[C@](O)(c2ccccc2)C1 448982 KDHPJZLITSFNOJ-OAHLLOKOSA-N 290.319 1.249 0 50 CDAA CCOc1ccc(N[C@@H]2SC(=O)NC2=O)cc1 969686 OUVVLTAOIXDUGL-SNVBAGLBSA-N 252.295 1.806 0 50 CDAA COc1ccc(OC)c2c(C)cc(N3CCNCC3)nc12 4717563 WLGAKDMARSNSKO-UHFFFAOYSA-N 287.363 1.970 0 50 CDAA O=C(O)C[C@@H](C(=O)NC1CCCCC1)[C@H]1CCCO1 6492877 KRMTXYZCTHHDLR-VXGBXAGGSA-N 269.341 1.705 0 50 CDAA CS(=O)(=O)c1ncc2cnn(C3C[C@@H]4C[C@H]4C3)c2n1 100037286 VZJSTZPYFYERBO-YUMQZZPRSA-N 278.337 1.201 0 50 CDAA Cc1nc2nc(NC(=O)C3CCCCC3)nn2c(O)c1C 8739948 BVUQXPLUNHXLND-UHFFFAOYSA-N 289.339 1.966 0 50 CDAA C[C@H](NC(=O)c1ncn(-c2ccccc2)n1)c1ncc[nH]1 225701574 PNPIQRFJGGSZCA-JTQLQIEISA-N 282.307 1.481 0 50 CDAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccccc1O 100629634 WBHCCLMKHNGCEH-VDUILEQBSA-N 257.289 1.928 0 50 CDAA CN(Cc1cnn(C)c1)C(=O)OC[C@H]1CCCO1 225833121 CEEKZZALDVTBLP-LLVKDONJSA-N 253.302 1.168 0 50 CDAA Oc1nc(=NC[C@H]2CC3CCC2CC3)nc2[nH][nH]cc1-2 517928644 KLUSRSFLDIWRMF-UDNWOFFPSA-N 273.340 1.670 0 50 CDAA C[C@@]1(OC(=O)c2ccccc2)[C@H]2C=C[C@H]1[C@H]1NC(=O)[C@@H]21 105292758 QKUAKIUNNFNAGZ-VGBQHSPPSA-N 269.300 1.533 0 50 CDAA O=C(N[C@@H]1CCc2[nH]ncc2C1)c1cccnc1S 114407429 DGTCYWDPPHGSLA-SECBINFHSA-N 274.349 1.381 0 50 CDAA Cn1cncc1-c1nc(-c2ccc(CO)cc2)no1 20321844 XJIPPESBMUQJSI-UHFFFAOYSA-N 256.265 1.629 0 50 CDAA NC(=O)[C@H]1CCO[C@@H]1C1CCN(Cc2ccncc2)CC1 343817486 GMRNZNYWOXDRND-LSDHHAIUSA-N 289.379 1.184 0 50 CDAA CC[C@@H](C)n1nccc1NC(=O)c1c[nH]c(=O)cn1 65372485 AGVHHGNTNVNSEZ-MRVPVSSYSA-N 261.285 1.190 0 50 CDAA Ic1c[nH]nc1[C@H]1CCCNC1 1535543603 DJLDUYPZLWXQKW-LURJTMIESA-N 277.109 1.481 0 50 CDAA Cc1c(NC(=O)Cc2ccc3c(c2)OCO3)cnn1C 177226268 ZEMXEIZOECJDME-UHFFFAOYSA-N 273.292 1.638 0 50 CDAA CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 65364751 XPFQZWXIEJRVLX-UHFFFAOYSA-N 276.745 1.095 0 50 CDAA COc1cccc(CN2CCN(c3ncccn3)CC2)c1 22591192 QYPBFLGCGTXZRA-UHFFFAOYSA-N 284.363 1.807 0 50 CDAA O=C([C@H]1CCOC1)N1CCC[C@H](N2CCCC2)C1 119899331 RTFPVXDGZZOXSR-STQMWFEESA-N 252.358 1.110 0 50 CDAA Cc1cnc(NCCN2CCCC[C@H]2CO)nc1N(C)C 65380952 UGUMOVCIQJFIQG-ZDUSSCGKSA-N 293.415 1.110 0 50 CDAA COc1ccc2c(ccn2CC(=O)N[C@H](C)C(=O)O)c1 65365851 AZDGRLGDDAABIF-SECBINFHSA-N 276.292 1.239 0 50 CDAA Cn1cc(NC(=O)c2cn(C)c(=O)c3ccccc23)cn1 61720404 XKAMMFIXRKAWKE-UHFFFAOYSA-N 282.303 1.524 0 50 CDAA COCCc1noc(CN(C)c2nc(C)cc(C)n2)n1 65528016 WITSWDVDSNCGQL-UHFFFAOYSA-N 277.328 1.302 0 50 CDAA Cc1cc(C[C@@H](C)NCCC(=O)Nc2cccnc2)[nH]n1 65424493 JKRSYVQNPPZJTF-LLVKDONJSA-N 287.367 1.663 0 50 CDAA COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)C1CCCCC1 65426026 OFCVCRIGXGVRQN-NWDGAFQWSA-N 269.341 1.092 0 50 CDAA N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)O 57131 KZDNJQUJBMDHJW-VIFPVBQESA-N 283.125 1.885 0 50 CDAA biogenic,in-vitro CCOc1cc(S(=O)(=O)n2cnnc2)ccc1Cl 408717968 FEZGWKVFRPYEQE-UHFFFAOYSA-N 287.728 1.567 0 50 CDAA CNC(=O)c1n[nH]c2ccc(Br)cc12 171771180 LZKFBFNVDKRHMH-UHFFFAOYSA-N 254.087 1.685 0 50 CDAA C[C@H](C(=O)N1CCSCC1)N(C)CC(F)(F)F 431741747 DEIOQVXCCGDAHO-MRVPVSSYSA-N 270.320 1.444 0 50 CDAA COc1cc(OC)c(CN2CCC[C@@H]2C(N)=O)cc1Cl 216323139 WEVRTEKQSSYGPC-LLVKDONJSA-N 298.770 1.807 0 50 CDAA COc1ccc(NC(=O)C(=O)NCc2ccc[nH]2)cc1F 124143780 IFLCCLSLJFRYOY-UHFFFAOYSA-N 291.282 1.417 0 50 CDAA CC(C)[C@@H](NC(=O)CCS(C)(=O)=O)c1ccccn1 76457467 JAVCLMVQOHFQGL-CYBMUJFWSA-N 284.381 1.330 0 50 CDAA CC(=O)c1cnc2nc(C(F)(F)F)nn2c1/C=C/N(C)C 72406617 RRAWMUDHSYHOEO-SNAWJCMRSA-N 299.256 1.878 0 50 CDAA NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H](CO)C1 122299983 IIBRPSZADGLIRN-GWCFXTLKSA-N 266.316 1.056 0 50 CDAA COc1ccc2ncn([C@@H](C)Cn3cncn3)c(=O)c2c1 32541541 IMZSNJKRHMKLCE-JTQLQIEISA-N 285.307 1.258 0 50 CDAA Cc1c(C(=O)NCCn2cnnc2)oc2c(F)cccc12 77505311 WTMNOPIMQQHZDJ-UHFFFAOYSA-N 288.282 1.902 0 50 CDAA C/C(=C\C(=O)N(CCC(=O)O)C1CCOCC1)C1CC1 328593023 SEZMRBCDNBSESN-ZHACJKMWSA-N 281.352 1.825 0 50 CDAA Cc1ncoc1CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 1364410685 BBXXFKVIBLCAFR-SECBINFHSA-N 291.273 1.483 0 50 CDAA CC[C@H](O)Cn1ncc(N(C)Cc2ccccc2)cc1=O 72157423 CRYGPMYEELAMJZ-HNNXBMFYSA-N 287.363 1.651 0 50 CDAA CC(C)c1cc(=NC[C@H](C2CC2)N(C)C)[nH]c(N(C)C)n1 359504634 CYWIUKAQKMFZBK-CQSZACIVSA-N 291.443 1.840 0 50 CDAA CC(=O)NCC[C@H]1CCCCN1Cc1nc(C)cc(C)n1 72157200 SXUKQNAAELLHOJ-OAHLLOKOSA-N 290.411 1.974 0 50 CDAA COc1c([C@H]2CCCN2[C@H]2CCOC2=O)c(C)nn1C 257365310 IMTZCDWODAKUEZ-MNOVXSKESA-N 279.340 1.190 0 50 CDAA CC[C@H]1COCCN1C(=O)c1ccc(Cn2ccnc2)o1 77525150 APWYJTIOUQPFPL-LBPRGKRZSA-N 289.335 1.775 0 50 CDAA O=C(O)C1(C(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 154856750 LHUZNAZCCUEUTQ-GFCCVEGCSA-N 293.294 1.590 0 50 CDAA CC(=O)c1ccc(C(=O)N2CCC[C@@](O)(CO)CC2)s1 215587636 KRTAXYIHTVGJLY-AWEZNQCLSA-N 297.376 1.300 0 50 CDAA COCCn1cnnc1[C@@H](C)n1ccnc1-c1ccccn1 72153049 HOSFHSNYFLCANB-GFCCVEGCSA-N 298.350 1.792 0 50 CDAA NC(=O)COc1ccc(CN2CCCC2)cc1Cl 215061435 HGGJOWGNCDQJDQ-UHFFFAOYSA-N 268.744 1.800 0 50 CDAA CC(C)c1cc(C(=O)N(C)C2CCNCC2)nn1C 236879966 ZYTNOYPEYJUNTN-UHFFFAOYSA-N 264.373 1.368 0 50 CDAA CCn1cc(-c2n[nH]cc2C(=O)N2CCCC2)cn1 336105358 XLYZAYDOBGBDOR-UHFFFAOYSA-N 259.313 1.529 0 50 CDAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1COCCN1 237389859 LWNRJJMSFBIXKR-SNPRPXQTSA-N 274.364 1.379 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCc2cnn(C)c2C1 374248721 CMSQCJFSPJOGAX-SNVBAGLBSA-N 273.340 1.504 0 50 CDAA Cc1cc(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)ns1 333965243 PTNFECDMASIPLA-PHIMTYICSA-N 281.381 1.045 0 50 CDAA C[C@@H](C(=O)O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 237521747 YNSJKAJDXWSIEG-JTQLQIEISA-N 289.335 1.440 0 50 CDAA O=S(=O)(CCC1CCOCC1)N1CC2(CC2)C1 336302501 KSMXNTNQDJGVLI-UHFFFAOYSA-N 259.371 1.229 0 50 CDAA Cc1ccnc(N2CC[C@](O)(c3cn(C(C)C)nn3)C2)n1 284597473 QPQLDTPOAJBGRU-CQSZACIVSA-N 288.355 1.055 0 50 CDAA CCc1nsc(N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)n1 521398472 IXHYRCJSKIOSRO-GMTAPVOTSA-N 283.397 1.467 0 50 CDAA C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1nccn1C)C1CC1 284658671 GUPMIYKLCFAJDI-MVWJERBFSA-N 263.341 1.412 0 50 CDAA Cc1nnc(Cn2cnn(C(C)(C)C)c2=O)s1 329739347 NHYCHLRDERQPIW-UHFFFAOYSA-N 253.331 1.008 0 50 CDAA C[C@@H]1CCSCCN1C[C@H](O)COC(C)(C)C 241644155 POSIQBPLJALLAP-NEPJUHHUSA-N 261.431 1.990 0 50 CDAA Cc1nc(N)sc1C(=O)NCCCNc1cccnc1 220385905 UKFGEMQZGNHPNX-UHFFFAOYSA-N 291.380 1.661 0 50 CDAA C[C@@H]1C(=O)N(CC(=O)N(C2CC2)[C@@H](C)C2CC2)C(=O)[C@H]1C 175062223 NWMIEQFGZAHUMM-DCAQKATOSA-N 292.379 1.417 0 50 CDAA CCO[C@H](C)C(=O)N1CC(c2nc3ccccc3[nH]2)C1 426547709 XCARGFMXOIOEHB-SNVBAGLBSA-N 273.336 1.914 0 50 CDAA CN1CSC[C@H]1C(=O)N1CCC(c2ccncc2)CC1 82108960 RQCPALJIVIZNSR-AWEZNQCLSA-N 291.420 1.792 0 50 CDAA CN1CCCN(c2cc([C@@H]3CCOC3)ncn2)CC1 426405115 IRICYYHHTGUFKA-GFCCVEGCSA-N 262.357 1.122 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCC[C@H]1c1ccc(O)nn1 530078416 GJSWJDXGPYSFCI-ZFWWWQNUSA-N 299.330 1.579 0 50 CDAA NCC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 237954583 OPTQXWNWCTYBAO-GFCCVEGCSA-N 287.363 1.088 0 50 CDAA O=C(c1cc2n(n1)CCCO2)N1CC[C@@H]1C(F)(F)F 615030917 SDRMDBJESGEMBL-MRVPVSSYSA-N 275.230 1.442 0 50 CDAA Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](CN)C2)cc1 178556472 LPVSALNRXDSZAR-CHWSQXEVSA-N 262.353 1.570 0 50 CDAA Cc1nc([C@H](C)N(C)C(=O)CN2CCCC2=O)c(C)s1 95524010 OQBWFHVVWFZWDP-VIFPVBQESA-N 295.408 1.902 0 50 CDAA O=C(CN1CCN2CCC[C@H]2C1)Nc1ccc(F)cc1F 239173769 OPYRJZYOMYNJQF-LBPRGKRZSA-N 295.333 1.683 0 50 CDAA CCc1cc(C(=O)N2CCC(F)(F)[C@H](CO)C2)[nH]n1 291213236 LAFCWWVTJGSOKT-QMMMGPOBSA-N 273.283 1.062 0 50 CDAA Cc1cnn(CCCSc2nnc(CCN)n2C)c1 426674354 UFRBMNIVSYHPNM-UHFFFAOYSA-N 280.401 1.004 0 50 CDAA CC(C)n1ccc(C(=O)NCc2cncn2C2CC2)n1 426612622 IIOIAAMWIQTIJM-UHFFFAOYSA-N 273.340 1.925 0 50 CDAA COc1cccc(I)c1CC(=O)O 98042873 WWGNIXGYYRTDRQ-UHFFFAOYSA-N 292.072 1.927 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CCC[C@H](N)C1 426478810 NVUWVGSFYWLQOL-JTQLQIEISA-N 274.290 1.727 0 50 CDAA CN1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)[nH]n2)C1 97681800 BVSWNMPLUPHBMA-ZETCQYMHSA-N 276.262 1.205 0 50 CDAA O=C(OCc1ccccc1)N1C[C@H](F)C[C@@H](CO)C1 96028454 ZYUFGYBYCICBDN-CHWSQXEVSA-N 267.300 1.976 0 50 CDAA CNCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 237229269 NXWZYFXMRMVZPG-UHFFFAOYSA-N 294.742 1.268 0 50 CDAA CO[C@@H]1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)C1 336478542 CATZXWDRCBPNPJ-LLVKDONJSA-N 286.331 1.399 0 50 CDAA Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2CCNC2)s1 237600702 YLUQNJSLWWOFFQ-ONGXEEELSA-N 267.398 1.889 0 50 CDAA Cc1nnc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)o1 95358011 UERQBOYDWOLULN-OAHLLOKOSA-N 292.383 1.995 0 50 CDAA O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1ncn[nH]1 243900880 AWVPQUYFNRVDAN-KHQFGBGNSA-N 278.337 1.108 0 50 CDAA Cc1n[nH]c(CN(C)CC[C@@H](C)N2CCCC2)n1 243885785 ACGHXWIHJXJGEE-LLVKDONJSA-N 251.378 1.419 0 50 CDAA Cc1noc(C)c1CC(=O)NCCc1nncn1C(C)C 252500119 SNHYLYSUKNHGCH-UHFFFAOYSA-N 291.355 1.365 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)c(C)o1 299748284 GRNXGOHZPMWYGD-KCJUWKMLSA-N 272.370 1.397 0 50 CDAA O=C(NC[C@H](O)c1ccccc1Cl)[C@H]1CCNC1 299740132 WDSJZOBWBABXAG-CABZTGNLSA-N 268.744 1.099 0 50 CDAA CCCCNC(=O)[C@@H]1CCCN([C@H](C)C(=O)O)C1 299747849 FIYZSOYIZSOLTN-GHMZBOCLSA-N 256.346 1.088 0 50 CDAA CN(CC(=O)NCC[C@H]1CCOC1)Cc1ccccc1F 252500770 TVEDMTCQOSUTEE-ZDUSSCGKSA-N 294.370 1.800 0 50 CDAA CC(C)c1ccc(NC(=O)NCCN2CC[C@H](O)C2)cc1 626193477 IWMXHILBWXKJBV-HNNXBMFYSA-N 291.395 1.998 0 50 CDAA O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1C[C@H]2CC[C@H]1O2 269002228 QXCDMYLTBFDVGH-WRWGMCAJSA-N 261.325 1.471 0 50 CDAA Cc1cc(=O)cc(C(=O)NCC[C@@H]2CCCOC2)[nH]1 534669265 YJRQIWLHUVOVQW-NSHDSACASA-N 264.325 1.230 0 50 CDAA O=C(NC[C@@]1(O)CCCNC1)C12CC3CC(CC(C3)C1)C2 534640020 BLQOGPNHYGSKSW-BQAHKBOESA-N 292.423 1.434 0 50 CDAA CO[C@H]1CCN(S(=O)(=O)c2cccc3nsnc23)C1 282730721 UZHAAPRBGYPENS-QMMMGPOBSA-N 299.377 1.101 0 50 CDAA CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H](O)CC2 823836818 CUVBAZGAVWTQFV-ZDUSSCGKSA-N 299.374 1.335 0 50 CDAA COC(=O)[C@H]1CCN1c1ccc2cccnc2c1C(=O)O 725345687 WPDKSCFQMZOVEF-LLVKDONJSA-N 286.287 1.685 0 50 CDAA Cc1cnn(CCC(=O)NCCCc2csc(N)n2)c1 670474166 BXWQFPURIIMIFM-UHFFFAOYSA-N 293.396 1.369 0 50 CDAA c1cnn(CCCN2CCC[C@H](c3nc[nH]n3)C2)c1 670449845 AJLYTSZEDBDCAV-LBPRGKRZSA-N 260.345 1.271 0 50 CDAA COc1nc(N(C)Cc2cnn(C)c2C)ncc1F 670472078 ZDXZNABOYPPHEW-UHFFFAOYSA-N 265.292 1.303 0 50 CDAA CCc1cc(C(=O)NCc2ccc(C)n2C)n(C)n1 1335455903 BCOHYPPTQBVZSM-UHFFFAOYSA-N 260.341 1.559 0 50 CDAA CCc1ncc(CNC(=O)[C@@H]2CSCCS2)[nH]1 1434380851 XFALKEXOHWUKGG-VIFPVBQESA-N 271.411 1.437 0 50 CDAA CN1C(=O)CC[C@H]1CC(=O)Nc1cc(C(F)(F)F)[nH]n1 1548451624 CXASJOHPPFEWKV-LURJTMIESA-N 290.245 1.378 0 50 CDAA COc1cccc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1 244701203 KCCIJUUKPWGYGQ-IMRBUKKESA-N 275.304 1.027 0 50 CDAA COC[C@H](O)CN1CCC[C@H](CN2CCCC[C@H]2C)C1 245540489 MONGLGSQUFTSFX-OWCLPIDISA-N 284.444 1.580 0 50 CDAA Nc1ncc(Cl)cc1S(=O)(=O)NCC1CCC1 269878572 OJEAZMWUDYKJJS-UHFFFAOYSA-N 275.761 1.396 0 50 CDAA CC(C)[C@H](N)C(=O)Nc1cnn(Cc2ccccc2)c1 37770068 NHCOBJWPUOFLSS-AWEZNQCLSA-N 272.352 1.853 0 50 CDAA O=C1CCC[C@@H](C(=O)Nc2cc(-c3cccs3)n[nH]2)N1 270655104 KYAFBFDASRSNDN-QMMMGPOBSA-N 290.348 1.745 0 50 CDAA C[C@H]1OCCN(C(=O)C2CC2)[C@@H]1c1nc(C2CC2)no1 408054734 OSRUXFGEEZHBGM-KCJUWKMLSA-N 277.324 1.645 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCc1cccc(OC)n1 408474268 NQEBVNOMEURWMR-CHWSQXEVSA-N 278.352 1.912 0 50 CDAA O=C(c1cccc2nccn12)N1CCCC[C@H]1c1nc[nH]n1 408473913 RPTBNXHGIOCCTI-NSHDSACASA-N 296.334 1.820 0 50 CDAA CCCN1CCCC[C@H]1C(=O)N(C)CCC(=O)O 408513507 CFDYZXWVUOXPAS-NSHDSACASA-N 256.346 1.184 0 50 CDAA C[C@@]1(C(N)=O)CCCCN1CC(=O)Nc1ccccc1 185896511 ROTRJWPZHVVQEF-HNNXBMFYSA-N 275.352 1.355 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)C2CC2)C12CCOCC2 170083113 OZSWBFHIBBHKNS-NWDGAFQWSA-N 253.342 1.487 0 50 CDAA C[C@H](CC(=O)NCc1ccc[nH]1)N1CCCCC1=O 170608035 CQQJGDJPOJQHLD-LLVKDONJSA-N 263.341 1.422 0 50 CDAA CCc1cnc(CC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)[nH]1 635623203 NWVPEPXKJOAYSY-DFBGVHRSSA-N 291.395 1.834 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)Nc1cnc(N(C)C)nc1 189716996 SVTAOUDMHFIXCI-GXSJLCMTSA-N 264.329 1.296 0 50 CDAA CCN(CC(=O)O)C(=O)c1ccc(Cl)c(OC)c1 190793742 OBEALLOVAYZZHW-UHFFFAOYSA-N 271.700 1.895 0 50 CDAA CNC(=O)C1(C(=O)Nc2ccc(C(=O)O)c(C)c2)CCC1 676018892 GECBPOYIBNJTFS-UHFFFAOYSA-N 290.319 1.548 0 50 CDAA CN1CCO[C@@H](CNc2ncccn2)[C@@H]1c1ccccc1 583617489 CDUHMCBSFPTAHB-GJZGRUSLSA-N 284.363 1.960 0 50 CDAA Oc1nncc(N2CCS[C@@H]3CC[C@@H]32)c1Cl 585098942 UULJWWHCKXBYKB-POYBYMJQSA-N 257.746 1.920 0 50 CDAA CN(C(=O)Nc1ccc(F)cn1)[C@@H]1CC(C)(C)OC1=O 585086986 BQFSSGNHLUWHLC-SECBINFHSA-N 281.287 1.779 0 50 CDAA COc1cc(CCNC(=O)c2c[nH]cc2C)ccn1 585088344 XEEKHSHOAMSDGW-UHFFFAOYSA-N 259.309 1.699 0 50 CDAA C1CC[C@H](OCCN2CCOC[C@@]23CCOC3)OC1 193689767 RMJOFSLVEWRJKK-KBPBESRZSA-N 271.357 1.021 0 50 CDAA CCN1C[C@H](CNC(=O)c2noc3c2CCCC3)CC1=O 652838923 UDUQICAJFAFBJC-JTQLQIEISA-N 291.351 1.152 0 50 CDAA O=C(c1cccc(Cn2ncccc2=O)c1)N1CCCCC1 195421459 LTJVKSHZSXYSCS-UHFFFAOYSA-N 297.358 1.918 0 50 CDAA CCc1oc(C(=O)NC[C@H]2CCCNC2)cc1C 195542799 PPEWZIBSMJRXLJ-NSHDSACASA-N 250.342 1.880 0 50 CDAA O=C(O)[C@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 86789302 YRIHSENREJXPNE-NSHDSACASA-N 272.308 1.174 0 50 CDAA CC[C@H](C)[C@H](C(=O)NCCc1ccccn1)n1cnnn1 1615154975 AAPPJCYLBNQPAC-WCQYABFASA-N 288.355 1.014 0 50 CDAA COc1cccc([C@H](C)C(=O)NCc2cnon2)c1 1615586120 ITRWASNPGAITBG-VIFPVBQESA-N 261.281 1.498 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)CNC1([C@@H]2CCNC2)CC1 1616032205 RQLGOQSHUDFLQR-UKRRQHHQSA-N 299.418 1.696 0 50 CDAA Cc1cc(Cn2nnnc2N2CCCOCC2)ccc1F 1616032825 ILASNEIQWUSVCU-UHFFFAOYSA-N 291.330 1.396 0 50 CDAA CC(C)C[C@@H]1CN(c2nccnc2C(=O)O)CCO1 1506419212 XIMSDUJJFIKXJK-SNVBAGLBSA-N 265.313 1.426 0 50 CDAA CN(CC[C@H]1CCCCO1)C(=O)c1cccc(O)n1 1506403085 VLDFZRZZBDCABF-LLVKDONJSA-N 264.325 1.818 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CCOc3ccccc32)C[C@@H](C)N1 225168386 CSQKDHKBGGCIPS-SCRDCRAPSA-N 274.364 1.762 0 50 CDAA Cc1cc(C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)nn1C 1529172994 KKHRSWNVVSOYDS-MPZDIEGVSA-N 277.368 1.350 0 50 CDAA COCCNC(=O)c1cc(OC)c(OC)cc1OC 2845592 RPEYCXUYMYAHCH-UHFFFAOYSA-N 269.297 1.089 0 50 CDAA CO[C@H](CN)C(=O)N1CCC[C@H]1Cc1ccccc1 227363548 WHMCDHPHSNPNLI-UONOGXRCSA-N 262.353 1.194 0 50 CDAA Cc1cc(C)c(-c2nc(CC(N)=O)nn2C(C)(C)C)cn1 1857668591 PDJLXQXLYLCEBL-UHFFFAOYSA-N 287.367 1.740 0 50 CDAA NS(=O)(=O)c1ccc(Br)cc1F 2243200 ZCPVDHZKGQQHDS-UHFFFAOYSA-N 254.080 1.236 0 50 CDAA in-vitro CO[C@@]1(C)C[C@@H](NC(=O)C2(N(C)C)CCC2)C1(C)C 119492258 SNOAXNGKAPAXDL-RISCZKNCSA-N 268.401 1.791 0 50 CDAA CCN(CC(=O)NC[C@H]1CCO[C@@H]1C(C)C)C1CC1 133158912 IGZPASWNKKBFFM-IUODEOHRSA-N 268.401 1.648 0 50 CDAA NC(=O)C[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 377184878 NJLJAWUGVKABBL-NSHDSACASA-N 280.755 1.606 0 50 CDAA CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC 2381598 CFRPSFYHXJZSBI-DHZHZOJOSA-N 270.720 1.852 0 50 CDAA in-vitro O=S(=O)(NC[C@@H]1CCCO1)c1cc(F)ccc1F 6741929 WJFAMXMLGDVBOT-VIFPVBQESA-N 277.292 1.422 0 50 CDAA NCCCCc1nnc(N[C@@H]2C[C@@H]3CC[C@H]2C3)o1 1772706960 QCNOBKHNETVXDP-OUAUKWLOSA-N 250.346 1.952 0 50 CDAA O=C(CCCc1ccc(F)cc1)N1C[C@H]2C[C@@H](O)[C@H]2C1 1772710474 WKZCTUYDYRFGTP-VHDGCEQUSA-N 277.339 1.988 0 50 CDAA CN(Cc1cnc2ccccn12)C[C@H]1CCC(=O)N(C)C1 1775978164 BWJOUGVNGTUSDE-CYBMUJFWSA-N 286.379 1.635 0 50 CDAA O=C(Cn1cccn1)N1CCO[C@H](Cc2ccccc2)C1 12298004 XEVMTRPLDNQXNB-OAHLLOKOSA-N 285.347 1.353 0 50 CDAA CC(=O)c1cccc(NC(=O)[C@@H](C)Cn2cncn2)c1 12383652 AJIJFOXMHHXWQN-JTQLQIEISA-N 272.308 1.756 0 50 CDAA CCn1cncc1CNC(=O)Cc1nc(C)sc1C 19338901 FBMGZJLLMOKUJM-UHFFFAOYSA-N 278.381 1.835 0 50 CDAA Cc1nc([C@@H]2CCc3ncnn3C2)n(-c2ccncc2C)n1 1857680349 LDQCDVDWTBWEQU-GFCCVEGCSA-N 295.350 1.601 0 50 CDAA Cn1ccc(C2CCN(C(=O)c3cccnc3)CC2)cc1=O 1857681743 DWJIYXRGNYFEPQ-UHFFFAOYSA-N 297.358 1.800 0 50 CDAA CN(C)C(=O)CN1CCC(Oc2cncc(Cl)c2)CC1 408518935 KWSNXJFXKWHLPQ-UHFFFAOYSA-N 297.786 1.666 0 50 CDAA Cc1ccc(CN2CCOC[C@H]2c2nc[nH]n2)cc1 411774146 WXSSZHUGYONKSY-ZDUSSCGKSA-N 258.325 1.687 0 50 CDAA O=C(NCc1ccncc1)C(=O)Nc1ccccc1Cl 4117210 QPUOMYHFVDXXSZ-UHFFFAOYSA-N 289.722 1.990 0 50 CDAA CC(C)c1cccc(S(=O)(=O)N[C@H](CN)C2CC2)c1 124649661 SGSRAEFHOKHKES-CQSZACIVSA-N 282.409 1.826 0 50 CDAA COCc1ccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)o1 331490239 APFGGBOEFWLFIW-WFASDCNBSA-N 292.379 1.917 0 50 CDAA C[C@@]1(C(=O)NCc2nccc(=N)[nH]2)CCc2ccccc2C1 333408099 GNXVMWYTRONSHC-QGZVFWFLSA-N 296.374 1.701 0 50 CDAA CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@@H]1CCOC1 239782373 COBOKRIYANASJX-OLZOCXBDSA-N 277.368 1.993 0 50 CDAA C[C@H]1CN(C(=O)c2ccccc2-n2cccn2)C[C@H](C)N1 153203329 SZEGJJJHPAEWNQ-STQMWFEESA-N 284.363 1.695 0 50 CDAA O=C(O)c1cn([C@@H]2CCCN(C(=O)OCC3CC3)C2)nn1 905993347 NHCWPGKSDWYUER-SNVBAGLBSA-N 294.311 1.160 0 50 CDAA O=C([C@H]1CC[C@@H]2CCCCN21)N1CC(OC(F)F)C1 907581137 BQCWEQBAQGDIMM-GXSJLCMTSA-N 274.311 1.453 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)N1CCCC1 911896026 DCJUTYKYAUCDNG-OAHLLOKOSA-N 260.337 1.418 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(O)(C(F)F)CC2)C1 911679388 YQMCXRSNALOWIV-DTWKUNHWSA-N 291.294 1.106 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1cnc(C2CC2)nc1 818630255 XVZIBFKHHSLJQI-HNNXBMFYSA-N 291.351 1.420 0 50 CDAA C[C@]1(O)C[C@@H](NC(=O)Cc2cccc(C(F)(F)F)n2)C1 822923901 GOYIIMADJYVFHO-WVSHTKLVSA-N 288.269 1.673 0 50 CDAA CCC(=O)N[C@@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1 1875274693 RYEHQSIQGDMGIY-XPUUQOCRSA-N 261.247 1.897 0 50 CDAA Cc1ncc(Cl)c(C(=O)N2CC[C@H](C)[C@H]2C(=O)O)n1 1875277357 HDVUFFMLHIZABP-WKEGUHRASA-N 283.715 1.374 0 50 CDAA CCC[C@H](N)CNC(=O)c1ccnc2ccncc12 1875266255 GLFJCKMCNCDNKN-JTQLQIEISA-N 258.325 1.487 0 50 CDAA O=S(=O)(N[C@H]1CCOC2(CCCCC2)C1)c1cn[nH]c1 1875263112 NNRKDWUSRGJAMM-NSHDSACASA-N 299.396 1.570 0 50 CDAA Cn1nccc1[C@H]1CCCN1C(=O)c1nc(C2CC2)no1 1875282518 IFMSROUMGFZIEU-LLVKDONJSA-N 287.323 1.658 0 50 CDAA CS(=O)(=O)c1ccccc1Cn1cc(C2CC2)nn1 1875269966 XKGKMQIZVSKPEE-UHFFFAOYSA-N 277.349 1.607 0 50 CDAA O=C(N1CCc2c(O)ncnc2C1)N1C[C@H]2CC[C@H]1C2 1875290463 IUNYSPPPOZGUDD-UWVGGRQHSA-N 274.324 1.145 0 50 CDAA COC(=O)c1n[nH]c2ccc(C(=O)N3CCCC3)cc12 1875300846 SIJOHPVMVNDPDL-UHFFFAOYSA-N 273.292 1.586 0 50 CDAA Cc1nc(O)cc(N2CC[C@](C(N)=O)(c3ccccc3)C2)n1 894195560 MCQBLMIYHOEAJB-MRXNPFEDSA-N 298.346 1.124 0 50 CDAA Cn1cc(C(=O)NC[C@H]2CCCN2c2nccs2)cn1 894693261 BWCSLBCOEXJJFO-LLVKDONJSA-N 291.380 1.275 0 50 CDAA CNC(=O)c1ccc(N2CC[C@@]3(CCCN(C)C3)C2)nc1 1775986235 WJEQHXOLTHVSIA-MRXNPFEDSA-N 288.395 1.363 0 50 CDAA CCc1ccsc1C(=O)N1Cc2n[nH]cc2[C@H]1C(N)=O 1775999136 QLGGYKFWYIBQIU-JTQLQIEISA-N 290.348 1.216 0 50 CDAA C[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c23)[C@@H]1CN 237426347 CZAJYNFPHUEEJW-ZWNOBZJWSA-N 272.352 1.762 0 50 CDAA Cn1cnn(Cc2cc(-c3ccccc3)on2)c1=O 153919219 LZJHJPLLOGOARE-UHFFFAOYSA-N 256.265 1.285 0 50 CDAA C[C@H]1CCCN(C(=O)COc2cccc(F)c2)[C@H]1CN 408519272 YUGBOCYKIZGLCF-FZMZJTMJSA-N 280.343 1.790 0 50 CDAA CCn1cc(OCC2(CS(C)(=O)=O)CC2)cn1 331479270 LKYFMSATNGVTMC-UHFFFAOYSA-N 258.343 1.107 0 50 CDAA O=C(Nc1cccc(F)c1)N1CCOC[C@@H](CO)C1 95516953 OTDHJIXISHGJOR-SNVBAGLBSA-N 268.288 1.298 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)N2CCC[C@](C)(O)CC2)C1 573081476 RRGOPJQSQJQYCI-SCRDCRAPSA-N 270.373 1.500 0 50 CDAA Cn1cc(CN(CCCC(=O)O)Cc2ccccc2)nn1 580575075 YAZWFYKDYPZLJN-UHFFFAOYSA-N 288.351 1.682 0 50 CDAA C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1c(F)cccc1F 685939532 ZITVYONMJSYEKH-LDYMZIIASA-N 290.335 1.193 0 50 CDAA Cc1[nH]c(=N)sc1C(=O)N1CC[C@H](O)CC(C)(C)C1 395404355 UUJYJOUHGOTIIM-VIFPVBQESA-N 283.397 1.487 0 50 CDAA O=C(O)C1(NCc2ccc(Cl)cc2Cl)COC1 2325798998 NDYHZIWNCHFZIG-UHFFFAOYSA-N 276.119 1.937 0 50 CDAA CN(C[C@@H]1CCOC1)C1=NC[C@H](c2ccccc2)N1 2325771448 XCSNIAAFKMRENE-GXTWGEPZSA-N 259.353 1.655 0 50 CDAA C[C@H]1C(=O)N(c2ccc3c(ccn3C)c2)C(=O)N1C 2325777481 FZFDEGBZCHGYRC-VIFPVBQESA-N 257.293 1.965 0 50 CDAA c1cc([C@H]2COCCN2Cc2cnc3sccn23)n[nH]1 2325811013 XJPIJNJJJWMCHK-GFCCVEGCSA-N 289.364 1.692 0 50 CDAA C[C@H](CO)NC(=O)c1ccc(-c2cccc(CN)c2)cc1 2325868859 NKUNGLICVMBOPG-GFCCVEGCSA-N 284.359 1.923 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cc1 92640 GCWLCINIEOOJGU-LBPRGKRZSA-N 283.349 1.623 0 50 CDAA O=C(NN1C(=O)c2ccccc2C1=O)c1cccs1 322300 FUQBNKJYQVXQSR-UHFFFAOYSA-N 272.285 1.689 0 50 CDAA CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 1456557 USZWBQJWGAZCEK-CYBMUJFWSA-N 291.347 1.867 0 50 CDAA COc1ccc(CC(=O)OCCCN(C)C)cc1 1786556 TVAKXFGCRXPXNB-UHFFFAOYSA-N 251.326 1.733 0 50 CDAA CC(C)N1CCC[C@]2(CCCN2Cc2cncn2C)C1=O 2356137275 VUVPBQBXLOENEG-MRXNPFEDSA-N 290.411 1.786 0 50 CDAA Cc1cc(=O)n(C)c(=O)n1CCCCN1CCCCC1 2381325 RZJGCPBVQYMRFY-UHFFFAOYSA-N 279.384 1.122 0 50 CDAA CCCN1Cc2nnc(-c3cc(C)no3)n2[C@@H](C)C1=O 2356159949 XBTJLSQGMUJROA-VIFPVBQESA-N 275.312 1.555 0 50 CDAA COc1cccc(OC)c1OCCCNC[C@@H](C)O 2880970 KYTHIKNEZDLFAM-LLVKDONJSA-N 269.341 1.443 0 50 CDAA COC(=O)c1ccccc1NC(=O)C(=O)N1CCCC1 2999577 WIGPNOGNMPXCSG-UHFFFAOYSA-N 276.292 1.034 0 50 CDAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F 4293538 HFZWIEKMCFJKFB-LLVKDONJSA-N 272.270 1.939 0 50 CDAA Cc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 4832961 IZPPTPZXOGALAW-UHFFFAOYSA-N 260.337 1.737 0 50 CDAA CCc1c(-c2nnc(SCC(N)=O)n2C)csc1C 6728965 AIAAOYZHYIQSNT-UHFFFAOYSA-N 296.421 1.992 0 50 CDAA CNC(=O)c1ccccc1NC(=O)c1cccnc1 8723029 GGDYNGWIQXTWKF-UHFFFAOYSA-N 255.277 1.694 0 50 CDAA COCC[C@H](NC(=O)[C@H]1CCOc2ccccc21)C(=O)O 111185652 SINVMIZPOLOBBZ-RYUDHWBXSA-N 293.319 1.159 0 50 CDAA CCOC(=O)C[C@H]1Nc2nc3ccccc3n2C1=O 9060107 KSOZLVSDQCJWCV-SECBINFHSA-N 259.265 1.424 0 50 CDAA O=S1(=O)CC[C@@H](n2nc(-c3ccccc3)cc2O)C1 100096876 VVPPDGYDMCUCPQ-LLVKDONJSA-N 278.333 1.615 0 50 CDAA C[C@H](NC(=O)[C@H]1COCCN1)[C@H](C)C1CCCCC1 246508074 QKEMOOOTKVUYBQ-SGMGOOAPSA-N 268.401 1.696 0 50 CDAA CC(C)=C(F)C(=O)N1CCNC[C@@H]1c1nccn1C 375058044 GMJHXIOHDVXXEV-SNVBAGLBSA-N 266.320 1.156 0 50 CDAA COc1cccc(CN(C)[C@@H](C)C(=O)N(C)C)c1F 65460852 BJDIBWWJIHYITD-JTQLQIEISA-N 268.332 1.743 0 50 CDAA C[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)CNC(N)=O 67819880 JBEWCFOASMPJBB-GYPVXTSCSA-N 293.411 1.766 0 50 CDAA COC(=O)CCCN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281894684 QFRCSYHMLNCSRO-UONOGXRCSA-N 281.327 1.887 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(C)c1 35610152 SWZACGAQTZSKJT-JTQLQIEISA-N 273.354 1.053 0 50 CDAA O=C(N[C@H]1CCCc2ccccc21)[C@H]1C[C@H]1C(=O)O 252424175 FQKNKQGXZZVXGO-XQQFMLRXSA-N 259.305 1.901 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1ccco1 252505756 MOPLBTVVUMRJRL-UOVKNHIHSA-N 291.347 1.916 0 50 CDAA O=S(=O)(c1ccc(O)cc1)c1ccccc1O 1640899 LROZSPADHSXFJA-UHFFFAOYSA-N 250.275 1.931 0 50 CDAA in-vitro NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc[nH]c2)c1 171914181 VSRMOQYAEJIRTB-UHFFFAOYSA-N 298.346 1.966 0 50 CDAA COC[C@H](NC(=O)c1cccnc1N(C)C)C1CC1 151477219 CKVGEONJEUDUMY-LBPRGKRZSA-N 263.341 1.302 0 50 CDAA CC(C)n1nccc1[C@H]1OCC[C@@H]1N[C@H]1CCOC1 486824741 HZYCDEYBDFZVEC-OBJOEFQTSA-N 265.357 1.673 0 50 CDAA Cc1cccc2oc(CNC(=O)c3ccc(=O)[nH]c3)nc12 218939143 YXDSEWAEKORKEW-UHFFFAOYSA-N 283.287 1.755 0 50 CDAA O=C(c1n[nH]c2ccc(Cl)cc12)N1C[C@@H](F)C[C@H]1CO 335966762 VZOTWFUPPCJGGX-IUCAKERBSA-N 297.717 1.761 0 50 CDAA COCC1(C(=O)N=c2ccc(C(F)(F)F)n[nH]2)CCC1 332441695 KDFKBQWZLFKCNM-UHFFFAOYSA-N 289.257 1.673 0 50 CDAA O=c1c2cnc3ncnn3c2ccn1-c1ccc(O)cc1 36360247 HQJWPAIMHXNRBU-UHFFFAOYSA-N 279.259 1.134 0 50 CDAA O=C(NCCCc1cccnc1)c1nnc2n1CCCCC2 216187490 OILIOWIVRKEMFK-UHFFFAOYSA-N 299.378 1.762 0 50 CDAA CCC[C@@H](Nc1nc(C)nc2c1c(C)nn2C)C(=O)NC 72479545 AOODWGJFEPHUGV-SNVBAGLBSA-N 290.371 1.307 0 50 CDAA CCc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)oc1CC 262728143 ACTMDRMIAKANIO-SNVBAGLBSA-N 281.308 1.330 0 50 CDAA NC(=O)C[C@H]1CCN(C(=O)/C=C/C2CCCCC2)C1 377349755 GERRFUJPGJBHPW-KTRBRXNASA-N 264.369 1.847 0 50 CDAA Cn1cc([C@H](NC(=O)c2ccccn2)C2CC(O)C2)cn1 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CHTHIKZQANIDEI-LLVKDONJSA-N 287.323 1.474 0 50 CDAA Cc1cc(N2CC[C@@H](N(C)C)C2)nc(-c2cccnc2)n1 65507621 BLWOWQQBTNBGTF-CQSZACIVSA-N 283.379 1.987 0 50 CDAA C[C@H]1CNC(=O)CCN1Cc1cc(C(C)(C)C)[nH]n1 67757270 IGFLXXGNOSUVNQ-JTQLQIEISA-N 264.373 1.418 0 50 CDAA O=C(Cn1cnc(-c2ccccc2)c1)NC[C@H]1CCCO1 1364301708 ILKAYAQJOZGLKX-CQSZACIVSA-N 285.347 1.845 0 50 CDAA Cc1nc(NCCSc2nnnn2C)cc(C(C)C)n1 65463677 PWVFTFHGYUTECJ-UHFFFAOYSA-N 293.400 1.636 0 50 CDAA CCOC(=O)C[C@H](C)N(C)C(=O)c1c(C)nn(C)c1C 253392228 BJFTVOUBPULQOH-VIFPVBQESA-N 281.356 1.451 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2CC(=O)NC2CC2)c1 282411650 YGPMJQVLUPNBRQ-ZFWWWQNUSA-N 290.363 1.082 0 50 CDAA COC[C@@]12COC[C@@H]1CN(Cc1cccnc1OC)C2 503722342 AOTLXCGOOWTMOP-ZFWWWQNUSA-N 278.352 1.185 0 50 CDAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccco1 252517163 BDUXNQPJVJORBJ-DGCLKSJQSA-N 286.397 1.429 0 50 CDAA CCn1cnc2c(c1=O)CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)C2 329286430 GUSQJJBHQCTPGM-CHWSQXEVSA-N 287.363 1.194 0 50 CDAA CCOc1ccccc1CNc1nc(N(C)C)n[nH]1 253428081 HTRGBKRLTDXJFZ-UHFFFAOYSA-N 261.329 1.882 0 50 CDAA CCOc1nc2cc(C(=O)O[C@H]3CCOC3)ccc2[nH]1 253424782 KPLZUTIXPYTQSO-JTQLQIEISA-N 276.292 1.907 0 50 CDAA CC[C@H](Nc1ccc(C(C)(C)C(N)=O)cc1)C(=O)OC 253419771 SFOPTRAOZOKOON-LBPRGKRZSA-N 278.352 1.813 0 50 CDAA O=C(O)c1cccc2c1N(S(=O)(=O)c1ccco1)CC2 328586248 BPEBADGPENSDOC-UHFFFAOYSA-N 293.300 1.729 0 50 CDAA Cc1ccc(CNC[C@@H]2CCc3c(C(=N)O)cnn3C2)nc1 328648030 UHLGTNHYUUNDSM-LBPRGKRZSA-N 299.378 1.822 0 50 CDAA CN(CC(=O)O)C(=O)[C@@H]1CCCCN1Cc1ccccc1 153114666 VZOCFRSSIAAKNR-AWEZNQCLSA-N 290.363 1.584 0 50 CDAA C[C@H](Cc1cnccn1)N(C)C(=O)c1n[nH]c2c1CCC2 215383710 IPHYNSQUCLZUSB-SNVBAGLBSA-N 285.351 1.392 0 50 CDAA CC(C)c1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)nn1C 153991755 PGCMHRLWPNOLGA-LLVKDONJSA-N 280.372 1.173 0 50 CDAA C[C@@H]1C[C@H](C(=O)O)CN(C(=O)Cc2cncs2)C1 263106615 BJINVNXYSXCBBY-BDAKNGLRSA-N 268.338 1.255 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@H](CF)C1 331305975 AYVGCDUSZQBBNO-JQWIXIFHSA-N 268.288 1.046 0 50 CDAA CC(C)(C)n1cc(CN2CCO[C@@H]3CCOC[C@H]32)nn1 366495368 GFZWMVDRXRXQAM-CHWSQXEVSA-N 280.372 1.023 0 50 CDAA CCn1cncc1CN1CC[C@@]2(CCCO2)CCC1=O 72147214 APSGPCFSKKYJQJ-OAHLLOKOSA-N 277.368 1.965 0 50 CDAA CC1(C)[C@H]2CC=C(CCNC(=O)c3cnn[nH]3)[C@@H]1C2 72126660 GKZKMBWJPXMXEA-QWRGUYRKSA-N 260.341 1.917 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)[C@H](O)c1ccccc1Cl 217702094 CGPDHKVDNOFPKD-GFCCVEGCSA-N 279.727 1.755 0 50 CDAA O=C(CO)N1CCC(Cc2ccc(F)c(F)c2)CC1 336057903 FYVNMZVTQUXIBY-UHFFFAOYSA-N 269.291 1.738 0 50 CDAA O=C(NCCn1ncnn1)[C@H]1C[C@@]12CCCc1ccccc12 332723036 IIGOWARDWZYDGF-GDBMZVCRSA-N 297.362 1.084 0 50 CDAA CCN1C(=O)C(C)(C)NC12CCC(c1nc(C)no1)CC2 333949804 XPCBPFRPFFRFMG-UHFFFAOYSA-N 292.383 1.962 0 50 CDAA CN(C)c1ccc(CN2CCC(c3nnc[nH]3)CC2)cn1 130719248 JLTYSEYFEMSYKO-UHFFFAOYSA-N 286.383 1.645 0 50 CDAA N[C@@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 237922838 HHUPUFMDLAAMSR-FXMSTWTQSA-N 274.320 1.031 0 50 CDAA OCc1ccc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 284808429 NMOISNABVOAFDJ-GVDBMIGSSA-N 291.391 1.541 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3nc(C)ccc3o2)C1 284801003 KLGWPCLKCBBVPW-WDEREUQCSA-N 290.319 1.358 0 50 CDAA CCC(=O)Nc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1 263349470 VCWJSNAUSDJXNQ-KLPPZKSPSA-N 290.319 1.628 0 50 CDAA Cc1cc(S(=O)(=O)N[C@@H]2CCOC2)cc(C)c1F 178826046 KACDBAVJYIDJFI-SNVBAGLBSA-N 273.329 1.510 0 50 CDAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCS[C@@H]2COCC[C@@H]21 136568484 NERAOMWROXOGCW-PDWCTOEPSA-N 279.405 1.932 0 50 CDAA CC(C)n1ccnc1CNC(=O)C(C)(C)N1CCCC1 426566828 DWFLLBILFBKNTJ-UHFFFAOYSA-N 278.400 1.955 0 50 CDAA COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3)c(OC)n1 222300966 FCEWPSCFPTUTCO-MNOVXSKESA-N 291.351 1.065 0 50 CDAA CC(C)Cn1c(CN)nnc1Sc1ccncc1 426536551 SUGCFEVYRFMRHZ-UHFFFAOYSA-N 263.370 1.939 0 50 CDAA Cc1nc(CSc2nnc([C@H]3CCCNC3)n2C)co1 426668233 FDNZKMHESAUCOI-JTQLQIEISA-N 293.396 1.871 0 50 CDAA C[C@H](C(=O)NCCc1cccc(O)n1)N1CCCCC1 426734544 SUCBCALXZLZFOA-GFCCVEGCSA-N 277.368 1.320 0 50 CDAA Cc1ncc(C(=O)N2CCN[C@@H](c3ccccc3)C2)cn1 96149387 ISBRPIJWMDOVPB-OAHLLOKOSA-N 282.347 1.572 0 50 CDAA O=C1[C@@H]2[C@H]3C[C@H]4[C@H](O[C@H]([C@H]42)N1c1ccccc1)[C@H]3O 238950607 YYCZYYFGCLAYJS-AOIAAECSSA-N 257.289 1.001 0 50 CDAA CN(C[C@@H]1COCCO1)C(=O)NCc1ccccc1F 426575012 LWYNRYFPDMKYQI-GFCCVEGCSA-N 282.315 1.383 0 50 CDAA Cc1cc(C)cc(CNC(=O)NC[C@@]2(O)CCCNC2)c1 426435018 URFVNJSVGXUCPW-MRXNPFEDSA-N 291.395 1.217 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](O)CO2)C1 95742950 LILGESIHSOUCBM-ZWNOBZJWSA-N 257.330 1.537 0 50 CDAA C[C@@H]1CN(c2ncc(C(F)(F)F)s2)CC(=O)N1 295662384 FGOWJBWBWZZLLY-RXMQYKEDSA-N 265.260 1.487 0 50 CDAA CCc1ncc(C(=O)NCCCOc2cccnc2)cn1 95376391 WZPYMZMKXUTRMB-UHFFFAOYSA-N 286.335 1.633 0 50 CDAA CC(C)N1CCC(C(=O)N[C@@H](C)Cc2cnccn2)CC1 95387006 ZPVDHBVJIJKIEK-ZDUSSCGKSA-N 290.411 1.644 0 50 CDAA C[C@@H]1CN(C(=O)Cc2cscn2)C[C@@]1(O)C1CCC1 92081160 UKMKUSYVPPZXEZ-YGRLFVJLSA-N 280.393 1.695 0 50 CDAA CCCn1ccnc1-c1nc2c([nH]1)CCCNC2=O 95510574 IYDTZYPSJFJRPY-UHFFFAOYSA-N 259.313 1.359 0 50 CDAA c1cc2[nH]c([C@@H]3CCOC3)nc2cc1-n1cnnn1 97346740 FJKVHTJKWWFTTO-MRVPVSSYSA-N 256.269 1.043 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CCNCC2)C[C@@H]1C(=O)O 238176380 JBCQABZUNBRISD-SNVBAGLBSA-N 284.356 1.450 0 50 CDAA C1CCN(CCCc2nc([C@H]3CCOC3)no2)C1 96138064 GAJSZKZAFXJKGX-NSHDSACASA-N 251.330 1.602 0 50 CDAA CN(CCc1ccccn1)C(=O)c1cc2ncccn2n1 97785321 GBMWYPCVQUXULB-UHFFFAOYSA-N 281.319 1.439 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CN(C)CCO1 245464601 PPPKUAGWBDLNDU-XJFOESAGSA-N 266.385 1.497 0 50 CDAA O=C(NCc1cccc(C(F)(F)F)n1)[C@H]1COCCO1 622632391 TVFXYUCLBGQXPA-SECBINFHSA-N 290.241 1.132 0 50 CDAA Cc1noc([C@H]2CCCCN2Cc2nnc(C)o2)n1 244795913 RPRANTYHSIVJMU-SNVBAGLBSA-N 263.301 1.797 0 50 CDAA CCc1noc(NC(=O)NC[C@H]2CCCCO2)n1 296913138 WWKUSDSOWGXGTB-MRVPVSSYSA-N 254.290 1.323 0 50 CDAA N#Cc1ccc(NNC2=NS(=O)(=O)c3ccccc32)cc1 163126545 MYNVHIGRMRSWOY-UHFFFAOYSA-N 298.327 1.624 0 50 CDAA Cc1cc(Br)cc(S(=O)(=O)CCO)c1 255188095 IOAWYKPANBMOSV-UHFFFAOYSA-N 279.155 1.524 0 50 CDAA CCCC[C@H](N)C(=O)NCCn1cc(Cl)cn1 299773115 AOUSOTYZQPDWND-JTQLQIEISA-N 258.753 1.170 0 50 CDAA O=c1cc(Br)cnn1CC(F)(F)F 255189067 NMEZJTCBNZVWMX-UHFFFAOYSA-N 257.009 1.568 0 50 CDAA Cc1cc(C)c(C(=O)NCc2nc(C)no2)c(O)n1 252494373 NTZSRWNDAONKND-UHFFFAOYSA-N 262.269 1.025 0 50 CDAA CC[C@@H](C)NC(=O)N1CCN(Cc2c(C)noc2C)CC1 257197414 BQOFHDOBHKBGGW-LLVKDONJSA-N 294.399 1.917 0 50 CDAA Cn1nc(C(F)F)cc1C(=O)NCC[C@H]1CCCOC1 534635553 DDEXDPFUQJGDNY-SECBINFHSA-N 287.310 1.904 0 50 CDAA COC(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2 263616428 IPVPYJWVOMYPCH-GFCCVEGCSA-N 289.291 1.345 0 50 CDAA O=C(NC[C@H]1CCOC1)c1cccc2nccnc12 273208483 AERDGWUVXOINFO-SNVBAGLBSA-N 257.293 1.396 0 50 CDAA CN(CCc1ccccn1)Cc1c[nH]nc1C(=O)O 299794936 KYNKEQDQZLXVRZ-UHFFFAOYSA-N 260.297 1.177 0 50 CDAA CCCn1ccnc1CNC(=O)c1ccc(CCN)cc1 395417521 XWSPMEDMHJSDCZ-UHFFFAOYSA-N 286.379 1.724 0 50 CDAA CC(C)CC(=O)N1CCC(NC(=O)C[C@@H]2CCOC2)CC1 820906095 QKDPQEBDNSNFFS-ZDUSSCGKSA-N 296.411 1.566 0 50 CDAA CCCN1CC[C@H](Cn2cnc3cccnc3c2=O)C1 584891241 YIXILDHKUQNRAM-LBPRGKRZSA-N 272.352 1.523 0 50 CDAA Cc1ccoc1C(=O)N1CCC(O)(CN2CCCC2)CC1 584898335 PRXXJZFMBGBWNE-UHFFFAOYSA-N 292.379 1.651 0 50 CDAA CCN(C[C@@H]1CCCCO1)C(=O)c1cn(C)c(C)cc1=O 952973108 FRQUHBKKZROBPL-ZDUSSCGKSA-N 292.379 1.725 0 50 CDAA CC1(C)C[C@@H]1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 952970025 HODSXOAFZWUFIT-CYBMUJFWSA-N 293.411 1.829 0 50 CDAA Fc1cc(NC2CC(NCC(F)(F)F)C2)ncn1 1559294637 TYDGVHLILHIONH-UHFFFAOYSA-N 264.226 1.711 0 50 CDAA CNC(=O)C[C@@H](C)N(C)C(=O)c1c(C)[nH]c(C(C)=O)c1C 952967147 JRLZJDHKNRYLTC-MRVPVSSYSA-N 293.367 1.431 0 50 CDAA CCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(CO)cc1 1565511177 GDZMBLCSMDKXDO-KBPBESRZSA-N 279.336 1.241 0 50 CDAA CC[C@@H](C)[C@@H](C(=O)Nc1ccc(Cl)cn1)n1cnnn1 1565520626 YUYBKVLZDLDDJU-KCJUWKMLSA-N 294.746 1.947 0 50 CDAA c1ccc(-n2ncc(CN3C[C@@H]4CCCN[C@@H]4C3)n2)cc1 219788718 FJQGQOOBLPKTDK-XJKSGUPXSA-N 283.379 1.451 0 50 CDAA CC[C@@H](OC)C(=O)N1CCOc2ncc(C)cc21 270617707 GICVQPJVYSUHCG-LLVKDONJSA-N 250.298 1.540 0 50 CDAA C[C@@H](CNC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccccn1 665422136 OSOBFIVQAJCQFJ-WDEREUQCSA-N 299.321 1.597 0 50 CDAA Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CN(C)CCO1 276819762 VBTBISQFCRINNY-CYBMUJFWSA-N 274.324 1.140 0 50 CDAA c1ccn2c(CCCNc3ncnc4nc[nH]c34)nnc2c1 170087746 CNHJTLSYWJMWCY-UHFFFAOYSA-N 294.322 1.440 0 50 CDAA CCCc1nn(Cc2cn3ccsc3n2)c(=O)o1 170666680 VEZDTWUMSZLRHF-UHFFFAOYSA-N 264.310 1.546 0 50 CDAA C[C@H](N)[C@@H]1CN(c2cnc(-c3ccccc3)cn2)CCO1 643017866 SBTFNDMOCSUKIK-WFASDCNBSA-N 284.363 1.696 0 50 CDAA CCc1cccc(C(=O)N2CCOC[C@]23CCOC3)n1 581925815 XFWJFNFISJWJDE-OAHLLOKOSA-N 276.336 1.276 0 50 CDAA Cc1ccc(CC(=O)N[C@@H](C)[C@H]2CCCCN2)cn1 583651842 UGDHREFFTITJIN-GXTWGEPZSA-N 261.369 1.579 0 50 CDAA c1ccc2ncc(Oc3ccc4nnnn4n3)cc2c1 191861882 UPTCZTXEPFUGOH-UHFFFAOYSA-N 264.248 1.860 0 50 CDAA C[C@H]1C[C@H](C(=O)NCCn2ccnn2)CC(C)(C)C1 584908508 VVCASRUDBGWKOX-RYUDHWBXSA-N 264.373 1.857 0 50 CDAA Cc1ccc(=O)n(CC(=O)N(C)[C@@H](C)C2CCCCC2)n1 585080048 OFQHQGPKOSSMCU-ZDUSSCGKSA-N 291.395 1.979 0 50 CDAA Cc1noc2ncnc(N[C@H]3c4ccccc4C[C@H]3O)c12 193393467 JOJYFBZFFVQXFI-YPMHNXCESA-N 282.303 1.996 0 50 CDAA Cc1noc(C)c1CC(=O)NCCc1c(C)nn(C)c1C 193307191 RNPHEAJXUVPRHN-UHFFFAOYSA-N 290.367 1.543 0 50 CDAA C[C@@H](CN(C)C(=O)c1coc(C2CCOCC2)n1)C(=O)O 563712920 DVPFHXOWFZNAFN-VIFPVBQESA-N 296.323 1.361 0 50 CDAA COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1cccn1C 655195347 JMFNDLWBOAIWGW-SNVBAGLBSA-N 294.273 1.037 0 50 CDAA Cc1ncc(Cl)c(NCCN2CCCCC2=O)n1 1161935803 NNMFQDHMDFYGRP-UHFFFAOYSA-N 268.748 1.863 0 50 CDAA N[C@@H](Cc1ccncc1)C(=O)N1CCC2(CCCC2)C1 1615054901 CFIBVEMHOUEYSZ-AWEZNQCLSA-N 273.380 1.744 0 50 CDAA COC(=O)[C@H]1Cc2cc(Br)cnc2NC1=O 38258371 LEMXGMUEKGWKPR-ZETCQYMHSA-N 285.097 1.128 0 50 CDAA in-vitro COC[C@H](c1ccccn1)N(C)Cc1cncn1C 1506421456 PVBLINUKSPKPCS-CQSZACIVSA-N 260.341 1.635 0 50 CDAA CC[C@@H]1C=CCN1C(=O)c1cc(C(C)C)nc(N)n1 1506399715 CJXIVORACFPPEN-SNVBAGLBSA-N 260.341 1.973 0 50 CDAA CCN1CCC[C@@]2(CCCN(CCS(C)(=O)=O)C2)C1 1506425608 DHRRMACLEYURSR-CQSZACIVSA-N 288.457 1.229 0 50 CDAA CCc1nc(C)c(C(=O)Nc2cnn3c2NCCC3)o1 1506408032 UYVFZILQTHZSKV-UHFFFAOYSA-N 275.312 1.810 0 50 CDAA CCc1nn(C)c(NC(=O)[C@@H]2CCCCN2)c1C 1529179756 DLNAITFHLYQOIW-NSHDSACASA-N 250.346 1.372 0 50 CDAA O=C1C[C@H]2N(Cc3ccccc3)CC[C@]23OCCN13 1857711167 LBXSVIYPXRTZNS-HIFRSBDPSA-N 258.321 1.220 0 50 CDAA COC(=O)c1scc(S(=O)(=O)C(C)C)c1N 96147 LSLWECVRXQXIRH-UHFFFAOYSA-N 263.340 1.299 0 50 CDAA in-vitro COc1cc(N2CCC(N3CCOCC3)CC2)ccc1N 113541603 VOGIRDWDQHZNNW-UHFFFAOYSA-N 291.395 1.578 0 50 CDAA CN(C)c1ccc(CCC(=O)N2CCC(O)CC2)cn1 1875321956 CGLSENJFAVPHAZ-UHFFFAOYSA-N 277.368 1.064 0 50 CDAA CCCCOC(=O)CCN1CCO[C@H](C2CC2)C1 363939234 OFMGXBCZXQZTIM-ZDUSSCGKSA-N 255.358 1.831 0 50 CDAA Fc1ccc2c(c1)CCc1nnc(Cn3cccn3)n1-2 1772814093 JVFKOGDUFBKRIQ-UHFFFAOYSA-N 269.283 1.750 0 50 CDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 13416172 PGCNHGBQEYFZEX-VQISRLSMSA-N 299.374 1.740 0 50 CDAA O=C(/C=C1\SC(=O)NC1=O)NCc1ccccc1 13658830 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133053182 CBTOAKDWPHYCDF-LBPRGKRZSA-N 278.352 1.284 0 50 CDAA CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC1=O 16697884 FRNZCPLVDNHRIH-GFCCVEGCSA-N 291.303 1.387 0 50 CDAA in-vitro NC(=O)c1ccc(N2CCC[C@H](c3ccncn3)C2)nc1 369026425 IXPIKKFEXCOUBB-LBPRGKRZSA-N 283.335 1.355 0 50 CDAA COc1ccnc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)n1 583615413 AHZPQAINWVTANA-OLZOCXBDSA-N 289.310 1.937 0 50 CDAA Cc1ncc2c(n1)[C@]1(CCCN(c3nccc(N)n3)C1)CC2 1704325990 SQJDGKASSJYJMS-MRXNPFEDSA-N 296.378 1.642 0 50 CDAA Cc1c(F)cccc1S(=O)(=O)NCCc1cnoc1 907384431 PDUGGDGRILRJMI-UHFFFAOYSA-N 284.312 1.643 0 50 CDAA C=CC(=O)NCCNC(=O)[C@@]1(C)CCOc2ccccc21 932402145 IXPNMYRFVPLQOS-INIZCTEOSA-N 288.347 1.145 0 50 CDAA CCc1occc1C(=O)N1CC[C@H](c2n[nH]cc2N)C1 864386324 ZYNMAEWZVQDXDE-VIFPVBQESA-N 274.324 1.777 0 50 CDAA CCOC1CC(CC(=O)N2CCN(CCF)CC2)C1 949803504 CMQDCDOINUIBTC-UHFFFAOYSA-N 272.364 1.305 0 50 CDAA Cn1cc([C@@H]2C[C@H]2c2nc(-c3cncc(O)c3)no2)cn1 952994902 WIDVFZGTBOKWML-NWDGAFQWSA-N 283.291 1.842 0 50 CDAA 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NGUREUKPWGOVIM-CQSZACIVSA-N 294.358 1.960 0 50 CDAA CCOc1ccnc(NCCc2nc(C3CC3)no2)n1 823399304 MRHJQXJYFUYFQR-UHFFFAOYSA-N 275.312 1.790 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@H](C)C2=CCCCC2)n1 827864609 PIEBXAOAPCXCBK-LLVKDONJSA-N 262.357 1.779 0 50 CDAA O=C(O)[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2 662219650 FOBXJKQAOLLNRV-CXAGYDPISA-N 298.342 1.768 0 50 CDAA CCN1CCCC[C@@H]1CNC(=O)c1c[nH]c(=N)s1 584886036 RIEFDGVDCBDULP-SECBINFHSA-N 268.386 1.160 0 50 CDAA COC[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)cnc1O 1074553322 VDQOJWUEPYIERV-KWQFWETISA-N 284.743 1.986 0 50 CDAA O=C(N1CCC[C@H](c2cc[nH]n2)C1)C1(Cn2ccnc2)CC1 670465558 JFSQKVHEZIWSLJ-ZDUSSCGKSA-N 299.378 1.793 0 50 CDAA COCC[C@H]1CN(C(=O)c2cc(Cl)cn2C)CCO1 584898541 JTDQCUDFSWSXSL-NSHDSACASA-N 286.759 1.556 0 50 CDAA CC(C)(O)[C@H]1CCN(C(=O)CN2CCCCCC2)C1 670473272 NZVLWZVQHWYQMT-ZDUSSCGKSA-N 268.401 1.482 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H](COC)c1ccc(F)cc1 1336177266 OJNMBFFDUMYPQZ-ZDUSSCGKSA-N 294.326 1.274 0 50 CDAA CCOC[C@H]1CCCN1Cc1nncn1C(C)C 244659827 HJMRHWKKYZDACJ-GFCCVEGCSA-N 252.362 1.860 0 50 CDAA NCc1nc(C(=O)Nc2ccc3scnc3c2)co1 952980624 AGTNWGMSGKHGPN-UHFFFAOYSA-N 274.305 1.995 0 50 CDAA C[C@@H]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)C1 408201105 GRERVNVQNZOSQF-NXEZZACHSA-N 259.371 1.116 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccnc(C)n1 408473771 VGKXDFRFFWSRLI-OLZOCXBDSA-N 263.341 1.606 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccnc(C)n1 408473772 VGKXDFRFFWSRLI-QWHCGFSZSA-N 263.341 1.606 0 50 CDAA CN(CCCCNC(=O)c1ccc(C(N)=O)cc1)C1CC1 408520621 OIRAXDLIPCKQKI-UHFFFAOYSA-N 289.379 1.390 0 50 CDAA Oc1nnc(O)n1-c1ccc(OCC[C@@H]2CCCO2)cc1 408518369 DLIVUDBZYOLNJV-NSHDSACASA-N 291.307 1.626 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 268928506 XEJKWRLRLAQQHL-WZRBSPASSA-N 293.294 1.446 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(CCOC(=O)N2)C1 91363969 QTLHYQWDUPJIEP-GFCCVEGCSA-N 256.302 1.496 0 50 CDAA in-vitro Cc1ncsc1CN[C@@H](C)C[C@H]1CCCC(=O)N1 630060930 SVARSVAATATNOX-GXSJLCMTSA-N 267.398 1.988 0 50 CDAA COCC(=O)Nc1ccc(O[C@@H](C)C(=O)O)c(F)c1 630260157 UMLAYTRLIZFOEL-ZETCQYMHSA-N 271.244 1.263 0 50 CDAA CC(C)(C)n1cc(CNc2nnc3ccccn23)nn1 276553487 KFOJIESXVMTPMD-UHFFFAOYSA-N 271.328 1.688 0 50 CDAA O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@H]1C1CC1 170655893 SWRZGPDIALENCM-QWRGUYRKSA-N 292.408 1.607 0 50 CDAA CCO[C@H]1C[C@@](O)(CNCc2ccncc2)C1(C)C 170608457 ABPFFUYCARVXAX-DZGCQCFKSA-N 264.369 1.737 0 50 CDAA Cc1cnc2cc(C(=O)NC[C@@H]3CCN(C4CC4)C3)ccn12 579969394 GZTYHZQYJPRGOA-ZDUSSCGKSA-N 298.390 1.857 0 50 CDAA C[C@@H]1c2cccn2CCN1C(=O)CCc1ccncn1 191766877 NWLGMRXICWGBSH-GFCCVEGCSA-N 270.336 1.814 0 50 CDAA OCCC1(NCc2cccc3c2OCO3)CCOCC1 584907953 WYBFFPHZAVHEAH-UHFFFAOYSA-N 279.336 1.437 0 50 CDAA O=CN1CCCN(C[C@@H]2CCc3ccccc3C2)CC1 585087124 PDXDESOLHSMQNK-OAHLLOKOSA-N 272.392 1.956 0 50 CDAA CCOC(=O)[C@H](F)[C@H]1CCN(c2nc(CC)ns2)C1 585092257 LZSICUZULWYJPU-WCBMZHEXSA-N 287.360 1.828 0 50 CDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 585086822 WBBJIEFEWCMRRH-JTQLQIEISA-N 279.365 1.815 0 50 CDAA COCCOc1cccc(C(=O)N(C)[C@H](C)CCO)c1 585090572 PDTDBLIBLGLPHT-GFCCVEGCSA-N 281.352 1.555 0 50 CDAA CC[C@@H](Nc1cnn(Cc2ccccn2)c1)C(=O)OC 192864471 RNFUENMIZFELGW-CYBMUJFWSA-N 274.324 1.690 0 50 CDAA CN(C)[C@@H]1CCN(C(=O)c2nc3ccc(O)cc3s2)C1 585118807 CMFFVBSMRPDNPI-SECBINFHSA-N 291.376 1.778 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1cc(O)nc(S)n1 585126821 JCFMJQUKMRTVGI-GUBZILKMSA-N 293.392 1.913 0 50 CDAA COC[C@H](NC(=O)[C@H](C)CSC)C1CCOCC1 585113345 RAYMCPCQWDRNEK-PWSUYJOCSA-N 275.414 1.543 0 50 CDAA COC[C@H](NC(=O)[C@@H](C)CSC)C1CCOCC1 585113344 RAYMCPCQWDRNEK-JQWIXIFHSA-N 275.414 1.543 0 50 CDAA CCOC(=O)[C@@H](C)N1CCC[C@H](Cc2noc(C)n2)C1 195518371 ONZDWZUWZUOBGN-ZYHUDNBSSA-N 281.356 1.584 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCCCCO1 568529627 JIOPFQBOPMSKOZ-UHFFFAOYSA-N 263.297 1.617 0 50 CDAA Cc1nnc(CN2c3ccccc3C[C@H]2CO)s1 661366501 SCXYQGYYJZGMAW-NSHDSACASA-N 261.350 1.770 0 50 CDAA N[C@H]1CN(C(=O)c2coc(-c3cccnc3)n2)CC12CCC2 1615555577 VCKLWSOQIIUCDL-ZDUSSCGKSA-N 298.346 1.690 0 50 CDAA C[C@@H]1CCC[C@@H](C)N1C(=O)COc1cnnc2ccnn12 1615588592 RNAPZNYHUZWDEO-GHMZBOCLSA-N 289.339 1.293 0 50 CDAA COc1cc(O)ncc1C(=O)NC1CCC2(CC1)C[C@@H]2N 1615545082 DJNBXMQNRZDHOD-RHJSQNMRSA-N 291.351 1.186 0 50 CDAA NC(=O)c1c[nH]nc1NCc1ccc2c(c1)CCCC2 1646506131 XBDKKORXCOKHFR-UHFFFAOYSA-N 270.336 2.000 0 50 CDAA CC(C)c1ocnc1C(=O)N1CCC[C@H]1C1(O)CC1 1772818492 GPYPFBGUEAEWOS-JTQLQIEISA-N 264.325 1.928 0 50 CDAA CCc1nn(C)c(NC(=O)[C@H]2CCN(CCOC)C2)c1C 1506407973 LSVHKBQTPTXJGE-LBPRGKRZSA-N 294.399 1.198 0 50 CDAA CO[C@@H](C)c1nnc(NC(=O)c2cncn2C)s1 1506395866 ONEVJLHAFSQUJZ-LURJTMIESA-N 267.314 1.231 0 50 CDAA C[C@H](CCN(C)c1n[nH]c(=N)s1)N1CCCC1 1857708329 OBELHFLLIARHIW-SECBINFHSA-N 255.391 1.261 0 50 CDAA CN1CCN(CCNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 206219374 RHUXJRUSGMCKPM-CVEARBPZSA-N 287.407 1.154 0 50 CDAA O=S(=O)(c1ccc(Br)cc1)n1cccn1 375925 MKXODXRBCKOVIV-UHFFFAOYSA-N 287.138 1.883 0 50 CDAA in-vitro N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](C(F)(F)F)C1 223394432 DJIBCPSWSLSRFY-OPRDCNLKSA-N 264.291 1.915 0 50 CDAA CCc1nnc(NC(=O)[C@@H]2CC23CCNCC3)s1 231327051 JTGFVOXINKNPGQ-QMMMGPOBSA-N 266.370 1.429 0 50 CDAA CC[C@H](C)CC(=O)N1CCN([C@H](C)CC(=O)O)CC1 630220053 LNHLIYIGUBUWTI-NWDGAFQWSA-N 270.373 1.430 0 50 CDAA CCOC(=O)N1CCC(N2CCC[C@@H]2C2(O)CC2)CC1 1772816252 JKEKHRSQUOTZLK-CYBMUJFWSA-N 282.384 1.597 0 50 CDAA COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)C(=O)O 11889105 MIIYJXDRHAFGTI-SECBINFHSA-N 287.337 1.063 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2)n[nH]1 11935243 KTJBXTNMAWXALU-AWEZNQCLSA-N 299.378 1.508 0 50 CDAA CCCCCNC(=O)c1nc2ccccc2c(=O)[nH]1 16650802 VNSFGHCEXUQHMX-UHFFFAOYSA-N 259.309 1.843 0 50 CDAA Nc1cc(=O)[nH]c(SCCOc2ccccc2)n1 18190174 ILLCPLQLXPRYBC-UHFFFAOYSA-N 263.322 1.523 0 50 CDAA CC(C)c1c(O)nc(SCCN(C)C)[nH]c1=O 19882234 JLWOZTUMLCZCDP-UHFFFAOYSA-N 257.359 1.253 0 50 CDAA O=C(O)C[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O 166983793 QLPCDVODFJPCDD-LLVKDONJSA-N 284.271 1.739 0 50 CDAA Cc1nc(N2[C@H]3CC[C@@H]2CCN(C)C3)c2[nH]ccc2n1 1857694996 ONTHHEIWNQLUFW-NEPJUHHUSA-N 271.368 1.939 0 50 CDAA C[C@H]1CN2C[C@H](NC(=O)c3cc(O)ccc3F)C[C@H]2CO1 1857723406 FDTUTDJQKSLUPM-AXFHLTTASA-N 294.326 1.123 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1ccc(N2CCCC2)nc1 124724562 DORJCEMBFZVSNF-GFCCVEGCSA-N 274.368 1.116 0 50 CDAA N[C@H]1CC[C@H](NC(=O)c2ccc(SCCO)cc2)C1 247716985 OAXPWFANDTXHHT-RYUDHWBXSA-N 280.393 1.381 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(-c3cccn3C)n2CC1 601043878 JQHCRMMBHLDOFY-SNVBAGLBSA-N 274.324 1.409 0 50 CDAA CC(C)(C)[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCO1 408524126 QKZCJMZTVMAWOU-NSHDSACASA-N 279.340 1.001 0 50 CDAA C[C@@H](NC(=O)C(=O)NC[C@H]1CCCO1)c1ccccc1 2943044 OAHMFRBSTLXJCN-DGCLKSJQSA-N 276.336 1.159 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc2c(c1)CCC(=O)N2 227289205 UNLYQUJEISMASP-MFKMUULPSA-N 287.363 1.523 0 50 CDAA O=C(OC[C@@H]1CCCCO1)[C@@H]1CC(=O)N(C2CCCC2)C1 119943774 QJFXXVZQEVZMSM-OCCSQVGLSA-N 295.379 1.890 0 50 CDAA CCC[C@H](C)NC(=O)[C@H]1CCCN(C[C@H]2COCCO2)C1 431010249 NFVAZVCQMPNXPU-KKUMJFAQSA-N 298.427 1.419 0 50 CDAA CC[C@H](C)NC(=O)CN1CCOC[C@H]1c1c(C)n[nH]c1C 330574330 QGBABKWHOWZFMZ-GWCFXTLKSA-N 294.399 1.315 0 50 CDAA CNCCCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 237125849 RQXOPNJHHWUJCL-QLFBSQMISA-N 297.443 1.086 0 50 CDAA CCc1cccnc1-c1noc([C@@]2(C)CCCNC2=O)n1 350073605 WYVJDXDDIYOTAQ-HNNXBMFYSA-N 286.335 1.862 0 50 CDAA CC(=O)c1ccc(OCCCN2CCN(C)CC2)cc1 20327193 LQZLOKNBUXFPSP-UHFFFAOYSA-N 276.380 1.906 0 50 CDAA C[C@H](C(=O)N1CCC[C@@H]1CO)N1CCc2ccccc2C1 154002640 IUOAYNGQMAJONP-CZUORRHYSA-N 288.391 1.417 0 50 CDAA O=C(CSc1ncn[nH]1)c1ccc(O)cc1O 2476922 WXCCBYWNBVARCD-UHFFFAOYSA-N 251.267 1.191 0 50 CDAA Cc1cccc(Cl)c1C(=O)N1CCN(C)[C@H](CO)C1 913542774 RTUIYKUBRXOFFA-NSHDSACASA-N 282.771 1.397 0 50 CDAA Cc1cc(O)nc(NC(=O)CCNC(=O)OC(C)(C)C)c1 818028430 QAEASPYHMOUDMT-UHFFFAOYSA-N 295.339 1.949 0 50 CDAA CNc1ccc(Cl)c(C(=O)N2CC(n3ccnn3)C2)c1 819924462 HLWZFWAOPBUFIM-UHFFFAOYSA-N 291.742 1.670 0 50 CDAA CCc1nnc(CNC(=O)N2CCCc3n[nH]cc32)s1 922542633 YAYFFHVYWHSFQM-UHFFFAOYSA-N 292.368 1.486 0 50 CDAA Nc1ccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)cn1 928996167 MYDYQEWPHPZCMJ-HUUCEWRRSA-N 290.411 1.397 0 50 CDAA O=C(Nc1ccncn1)N[C@H]1c2ccccc2CC[C@H]1O 930941002 YGGXPPZPXAKWBK-OCCSQVGLSA-N 284.319 1.647 0 50 CDAA O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(C(F)F)ncn1 934990688 MWWMUHAFSFKYQX-ZETCQYMHSA-N 293.277 1.425 0 50 CDAA CC1(C)CNCC[C@@H]1NC[C@H](O)COc1ccccc1 864097317 SKXRPQMNTQSMQS-ZFWWWQNUSA-N 278.396 1.404 0 50 CDAA C[C@H]1CCN(C(=O)[C@@H](N)CC(=O)O)C[C@@H]1c1ccccc1 1875270179 HMHXPTQWBFMLCM-UBHSHLNASA-N 290.363 1.441 0 50 CDAA C=CC(=O)NCc1c(Cl)c(C(F)(F)F)nn1C 1875368200 YMQMCLHGYSHTOJ-UHFFFAOYSA-N 267.638 1.895 0 50 CDAA C[C@H](C(=O)NS(C)(=O)=O)c1ccccc1C(F)(F)F 1875390992 CEPFBASROVNOEB-ZETCQYMHSA-N 295.282 1.885 0 50 CDAA CC(C)Cc1nc(=NC(=O)N[C@H]2C[C@@H](O)C2(C)C)s[nH]1 1875396697 RFPFAKYULAFQOB-DTWKUNHWSA-N 298.412 1.439 0 50 CDAA C[C@@H](C(=O)N[C@H]1C[C@@H](N)C1)c1cn(C)c2ccccc12 1875314970 CBKHPYOPSXMBOQ-UTUOFQBUSA-N 271.364 1.888 0 50 CDAA CCn1nccc1/C=C/c1nnc([C@]2(OC)CCOC2)o1 886085343 FJTSHWZKQOWRGB-NNTXTVRGSA-N 290.323 1.718 0 50 CDAA O=C(Cc1c[nH]c2cccc(Cl)c12)N1CC[C@@H]1CO 889154488 KQCOBJIHWPPACN-SNVBAGLBSA-N 278.739 1.957 0 50 CDAA Cn1ncc(CN2CCC[C@@H]2C(=O)NC2CC2)c1C1CC1 891662821 RJLIUYFXKMLLSM-CQSZACIVSA-N 288.395 1.541 0 50 CDAA CCn1c(C)cc2[nH]nc(NC(=O)[C@H]3C[C@@H]3C)c2c1=O 898027379 YIZWHNNNTABWTB-CBAPKCEASA-N 274.324 1.647 0 50 CDAA O=C(NC1(C(=O)O)CC1)[C@@H]1CSc2ccccc21 237939767 RFMBOSULZCQEKF-SECBINFHSA-N 263.318 1.609 0 50 CDAA Cc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)O)c1Cl 160254788 FPVVSRPYFUJQFJ-JTQLQIEISA-N 297.738 1.964 0 50 CDAA Cc1c([C@@H](C)NC(=O)c2ncccc2O)cnn1C 179408102 PVWGUNJFSLTYBR-MRVPVSSYSA-N 260.297 1.320 0 50 CDAA CCOC(=O)C1CCN(c2nccc(OCC)n2)CC1 65395928 IWDRLFRYUPSNSY-UHFFFAOYSA-N 279.340 1.655 0 50 CDAA OCCNC1CCN(c2nc(C(F)(F)F)ns2)CC1 547760895 GPEUMEFFZZIUEM-UHFFFAOYSA-N 296.318 1.108 0 50 CDAA O=C(c1cn[nH]c1)N1CC[C@](O)(c2ccccc2)C1 584892023 SQCBHSJUWBOVHP-CQSZACIVSA-N 257.293 1.143 0 50 CDAA CC(C)N(C)C[C@H](O)CN[C@@H](C)[C@@H]1CCCOC1 388931226 QNBXZNXFHBQBFT-BFHYXJOUSA-N 258.406 1.092 0 50 CDAA CN1CC[C@@H](O)[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 2100534679 SZVFROORWWGUMT-ZIAGYGMSSA-N 296.798 1.311 0 50 CDAA CC(C)(CF)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1 2325821816 CWDUKVLJUBHLIE-UHFFFAOYSA-N 293.298 1.888 0 50 CDAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCN1CCCCC1 139734 SHZOHIJTDOCLRY-OLZOCXBDSA-N 296.798 1.990 0 50 CDAA O=C(N[C@H](O)C(Cl)(Cl)Cl)c1ccccc1O 235984 IZLCAIJIGYXNAE-MRVPVSSYSA-N 284.526 1.811 0 50 CDAA CCC(CC)NS(=O)(=O)c1cccc(C(=O)O)c1 381827 KASWUKPVGSTUOL-UHFFFAOYSA-N 271.338 1.852 0 50 CDAA CC(C)COc1ccccc1C(=O)NCCC(=O)O 517229 SDTVJQCHFJFBNW-UHFFFAOYSA-N 265.309 1.926 0 50 CDAA biogenic CC[C@@]1(C)NC(=S)N2N1C(=S)N[C@]2(C)CC 1251321 OLZITQXFEGHLND-UWVGGRQHSA-N 258.416 1.534 0 50 CDAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cncn3C)C[C@H]2C1 2356150860 CLOLFEJBMLDTFH-KPWCQOOUSA-N 290.411 1.611 0 50 CDAA CCCNC(=O)c1cc(OC)c(OC)c(OC)c1 2829811 RYJCDOZZSNMNRZ-UHFFFAOYSA-N 253.298 1.852 0 50 CDAA biogenic O=C1NC[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@@H]12 2356168821 OXWJRPXAUGGSBJ-CMPLNLGQSA-N 290.388 1.445 0 50 CDAA Cc1c(OCC(N)=O)ccc2c3c(c(=O)oc12)CCC3 4028010 ODRGFBQAZRLMKI-UHFFFAOYSA-N 273.288 1.454 0 50 CDAA biogenic Cc1c(Cl)cccc1NC(=O)C[C@H]1NCCNC1=O 4223141 HCLQSVITHNJPCQ-LLVKDONJSA-N 281.743 1.065 0 50 CDAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(C)ccc1C 4502639 IMYKGDVJIQYLKL-CYBMUJFWSA-N 299.334 1.752 0 50 CDAA Nc1nc(=O)cc(C(=O)Nc2ccc(Cl)cc2)s1 6058678 OJRRIMWOFSZYEA-UHFFFAOYSA-N 281.724 1.991 0 50 CDAA CCNC(=O)NCc1nc(-c2ccc(C)cc2)no1 6697113 HTLSFIXPFUDBLG-UHFFFAOYSA-N 260.297 1.864 0 50 CDAA Cn1c(S)nnc1CCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 225411388 UNFJDFZMDHNWKB-DCAQKATOSA-N 294.424 1.589 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2COc3ccccc3C2)[nH]n1 54132234 BBVMNSQSUAZKFG-LLVKDONJSA-N 271.320 1.699 0 50 CDAA CCC(=O)Nc1cccc(C(=O)N[C@@H](C)CC(=O)O)c1 58856644 MYZWHCLSIHAOMB-VIFPVBQESA-N 278.308 1.628 0 50 CDAA O=C(Nc1cccc(OCC(F)F)n1)c1cnsn1 133536023 HTANBGKAPIOSQH-UHFFFAOYSA-N 286.263 1.829 0 50 CDAA O=C(CCN1CCCCO1)NCCCC[C@H]1CCCO1 55575822 NONHVFVLSKZBLB-AWEZNQCLSA-N 284.400 1.869 0 50 CDAA Cc1ccc(C(=O)N2CCCC2)cc1N(C)S(C)(=O)=O 67613186 HHHMSUURTBOCQN-UHFFFAOYSA-N 296.392 1.627 0 50 CDAA Cn1ncnc1-c1ccnc(NCc2ccncc2)n1 20598766 HGYRMEUMLQHUJH-UHFFFAOYSA-N 267.296 1.279 0 50 CDAA CCOc1ccc(C[C@@H](CC(=O)O)C(=O)O)cc1 22342927 URSGEGBUOKBRHO-JTQLQIEISA-N 252.266 1.803 0 50 CDAA C[C@@H]([C@H](O)c1ccc2c(c1)CCCO2)N1CCOCC1 25578592 COMWJMCMWOQQQX-LRDDRELGSA-N 277.364 1.766 0 50 CDAA CC[C@]1(C)C(=O)NCCN1C(=O)Cc1cccs1 67740624 KMSNYPPJCMMEJO-CYBMUJFWSA-N 266.366 1.418 0 50 CDAA O=C1CNCCN1c1ccccc1Br 66354369 OHSOSFQRIWWQQV-UHFFFAOYSA-N 255.115 1.385 0 50 CDAA O=C1C[C@H](CNc2ncccn2)CN1C1CCCC1 32577733 GLKVUOBXIFAXRY-LLVKDONJSA-N 260.341 1.680 0 50 CDAA Cc1csc(N2CCN(C(=O)c3ccon3)CC2)n1 299400891 GGFGKCUBZRMTSM-UHFFFAOYSA-N 278.337 1.402 0 50 CDAA CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21 57461 RCIMBBZXSXFZBV-UHFFFAOYSA-N 288.307 1.110 0 50 CDAA biogenic,world C[C@H]1OCC[C@H]1C(=O)NCc1nnc(C2CCC2)n1C 129071906 NFRVBCSIVVTYMJ-MWLCHTKSSA-N 278.356 1.124 0 50 CDAA COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(F)c(C)c1 252549066 QRESKCTYKULCBG-KGLIPLIRSA-N 281.327 1.632 0 50 CDAA COCCN1C[C@@H](CNC(=O)c2cc(C)oc2C)CC1=O 219843084 YFBKMVABPIJGMD-GFCCVEGCSA-N 294.351 1.121 0 50 CDAA C[C@@H]1CCCN(Cc2cnc3cnccn23)[C@H]1C(=O)O 424412112 CJXCONCIQLWDGE-ZWNOBZJWSA-N 274.324 1.414 0 50 CDAA Cn1cnnc1[C@@H]1CCCN1C(=O)COC1CCCCC1 120010820 IDLDRSBQWBFRGM-ZDUSSCGKSA-N 292.383 1.828 0 50 CDAA C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NC[C@@H](O)c1ccncc1 230183607 LVSAXZWTPIXJDJ-SFDCQRBFSA-N 291.395 1.493 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1ccccc1N(C)C 219309365 GFVOJXJVNZUCOK-KGLIPLIRSA-N 287.407 1.919 0 50 CDAA O=C(CCn1cncn1)N1CCC[C@H](c2ccncc2)C1 519846899 VAFAEJFLENBUAK-AWEZNQCLSA-N 285.351 1.469 0 50 CDAA CCCn1nccc1C(=O)N1CC(N2CCCC[C@H]2C)C1 71479620 TVPZTGZPRMEDDR-CYBMUJFWSA-N 290.411 1.992 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 239782542 COZZUQYZXCJPPG-UWVGGRQHSA-N 257.289 1.786 0 50 CDAA CNC(=O)c1cccnc1-c1ccc(C(=O)OC)cc1 32576262 AZFOXJHVAIXXKQ-UHFFFAOYSA-N 270.288 1.895 0 50 CDAA COc1ccc(F)c(CN2CCC[C@@]3(CCNC3)C2=O)c1 72147456 IDIIVWOQGDMOIK-INIZCTEOSA-N 292.354 1.936 0 50 CDAA COc1ccc2nc(C)cc(C(=O)N3CCNC[C@@H]3C)c2c1 126370941 SYVWNCYZTYKHEJ-LBPRGKRZSA-N 299.374 1.986 0 50 CDAA CC[C@@H](O)CNC(=O)c1cc(COc2ccccc2)[nH]n1 71404280 SYSXMEJMMRUVFX-GFCCVEGCSA-N 289.335 1.489 0 50 CDAA Cc1cc(=O)cc(C(=O)NC[C@@H](C)Oc2cccnc2)o1 216128246 YLAJUFDCABVJKW-LLVKDONJSA-N 288.303 1.541 0 50 CDAA C[C@H](O)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 334149521 HGNMTYNRBDCBPN-ZETCQYMHSA-N 291.273 1.515 0 50 CDAA CCN(CC)C(=O)CN1C[C@@H](OC)Cc2ccccc21 282698154 KTOUVNDEJVOZIH-AWEZNQCLSA-N 276.380 1.933 0 50 CDAA O=C(OC1CCC1)N1CCC[C@H](Cn2cncn2)C1 496481737 REXUVOJFSSOMIC-NSHDSACASA-N 264.329 1.679 0 50 CDAA CCn1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1=O 215660787 QTTVWGOMFIOIDU-GDBMZVCRSA-N 298.342 1.256 0 50 CDAA C[C@@H]1c2ccccc2CN1C(=O)[C@H]1CCCN(C(N)=O)C1 334439640 VAPFKWSDVLULLX-YPMHNXCESA-N 287.363 1.881 0 50 CDAA Cn1cccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C2(C)C 335158956 YJDNNKNXBCRRBI-UWVGGRQHSA-N 254.355 1.302 0 50 CDAA C[C@@H]1CSC[C@H]1N[C@@H]1CCCN(c2ccn(C)n2)C1=O 285118292 NBAXENSERLTGBO-IJLUTSLNSA-N 294.424 1.257 0 50 CDAA O=C(CN=c1[nH]cnc2[nH]ccc12)N1CCc2ccccc21 339139160 BRYZFIVYUVLMKE-UHFFFAOYSA-N 293.330 1.381 0 50 CDAA CCN(CCn1cccn1)C(=O)N[C@H](CC(=O)O)C(C)C 426497318 VSEDGUKNHZISTF-GFCCVEGCSA-N 296.371 1.414 0 50 CDAA CN1CCC(Cc2nc(Cc3cccnc3)no2)CC1 287441260 UKHHASFDXDFUIH-UHFFFAOYSA-N 272.352 1.940 0 50 CDAA CCc1cc2c(=O)n(CCn3cccn3)cnc2s1 44632618 DMNKSJJWJMTVCX-UHFFFAOYSA-N 274.349 1.917 0 50 CDAA CN(c1ccccc1)S(=O)(=O)c1cccc(C(N)=O)c1 42521320 JBZMEFNHHXUBAU-UHFFFAOYSA-N 290.344 1.611 0 50 CDAA CC(C)(C(=O)NCc1ccc(C(=O)O)o1)N1CCCC1 426562823 FABMRSIMZSJPOE-UHFFFAOYSA-N 280.324 1.468 0 50 CDAA O=C(N[C@H]1C[C@H](C(=O)O)C1)c1cc(-c2ccccc2)[nH]n1 426698146 BLODDVGUSGMBRZ-XYPYZODXSA-N 285.303 1.670 0 50 CDAA O=C(NCc1noc(C2CCC2)n1)c1ncc(F)cc1F 223253400 SPXWOZMZQFRQLO-UHFFFAOYSA-N 294.261 1.940 0 50 CDAA O=C(NCCn1cncn1)N1CCCc2occc2C1 291421720 YPKHIFBLJFJJLX-UHFFFAOYSA-N 275.312 1.029 0 50 CDAA CCC[C@H]1CN(C(=O)c2nn(C)c(C)c2Cl)C[C@@H]1N 91494445 ABJKGYODCZSJHM-UWVGGRQHSA-N 284.791 1.581 0 50 CDAA CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 238997234 ABNVHVKLRCQXOW-CCKSWGLSSA-N 289.331 1.149 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@@H]1CN 179226509 HARKAPMUXJLUDN-GXTWGEPZSA-N 299.378 1.467 0 50 CDAA O=C(C[C@H]1CCc2ccccc21)NCc1nnc2n1CCC2 91585965 QCVFFPJMAMTLJQ-CYBMUJFWSA-N 296.374 1.961 0 50 CDAA COc1cc(C)ccc1C(=O)N1C[C@@H](C)[C@@](C)(O)C1 91935099 NUDUCAJYRVPZAE-ABAIWWIYSA-N 263.337 1.847 0 50 CDAA CCn1cc(CN(C)C[C@@H]2CCN(CCOC)C2)cn1 97532338 ADKAZLIEYUEZAJ-AWEZNQCLSA-N 280.416 1.303 0 50 CDAA Cc1ncc(C(=O)N[C@@H](C)CN2CCCCC2)c(C)n1 179881229 GCXQRMLSEKRZLJ-NSHDSACASA-N 276.384 1.698 0 50 CDAA CCc1cnc(N2CCCO[C@H](CN3CCCC3)C2)nc1 95386048 KWBOAMPWOSZIHN-OAHLLOKOSA-N 290.411 1.730 0 50 CDAA Cc1ncc(C(=O)NCC2(Cn3ccnc3C)CC2)c(C)n1 97553312 KQKAXNZDNTZNEZ-UHFFFAOYSA-N 299.378 1.809 0 50 CDAA COc1ccc([C@@H](C(=O)O)N2CCSCC2)cn1 95363962 VQHRUXSDOXZMEC-NSHDSACASA-N 268.338 1.265 0 50 CDAA O=c1ccc(C[C@H]2CCN(C3CCOCC3)C2)c[nH]1 91364887 YICBWYSSMWFUAQ-CYBMUJFWSA-N 262.353 1.418 0 50 CDAA COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccno1)C2 95517669 CAKGMWUOCLCIFB-JTQLQIEISA-N 288.303 1.664 0 50 CDAA COCC[C@H]1CN(Cc2cnn(C(C)C)c2)CCO1 97601163 LADHWXQXSSBUJF-AWEZNQCLSA-N 267.373 1.701 0 50 CDAA C[C@H](Cc1cnccn1)N(C)CCc1ccccn1 243901591 BCYLTBRJNQSATN-CYBMUJFWSA-N 256.353 1.977 0 50 CDAA Cc1nnc(CN2CCN(C)[C@H](c3ccccc3)C2)o1 244678655 IHQYKLBEQMACBE-AWEZNQCLSA-N 272.352 1.867 0 50 CDAA Cc1csc(C(=O)N[C@@]2(CCO)CCOC2)c1 296429232 WAOGQAWWTHYANI-LBPRGKRZSA-N 255.339 1.328 0 50 CDAA Cc1nnc(S)n1NC(=S)NC(=O)c1ccccc1 252487725 IATVBXZQVCXIQU-UHFFFAOYSA-N 293.377 1.134 0 50 CDAA CN(C)c1cncc(NCC[C@H]2CCCOC2)n1 534671111 CWGXMHCDOQMQEG-LLVKDONJSA-N 250.346 1.771 0 50 CDAA O=C(O)CC[C@@H]1CCCN(Cc2nc(C(=O)O)co2)C1 534676102 MLCZMKUXNQXZKZ-VIFPVBQESA-N 282.296 1.450 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H](C)c2ncnn2C)n1 354572530 RDKQHXCLORIBSX-VIFPVBQESA-N 262.317 1.084 0 50 CDAA Cc1c(C(=O)NCc2noc([C@@H]3CCCO3)n2)ccn1C 534635482 NOCKEFAZFYSRIG-NSHDSACASA-N 290.323 1.498 0 50 CDAA Cc1cc(CC(=O)N2CC[C@H](c3nc(C)no3)C2)on1 299767233 PWRUWHZRVJCZIT-JTQLQIEISA-N 276.296 1.233 0 50 CDAA C[C@H](Cn1cncn1)c1n[nH]c(Cc2cccs2)n1 822182794 YEGFFLVNFOEODJ-SECBINFHSA-N 274.353 1.852 0 50 CDAA CC(C)Cc1nc(-c2ccc(CO)cc2)n(CCO)n1 828778430 OHQWNBSKQCVVPP-UHFFFAOYSA-N 275.352 1.628 0 50 CDAA C[C@@H](O)c1nc(-c2ccc(F)c(F)c2)nn1CCO 828778364 LBLNAIOATCKWGE-SSDOTTSWSA-N 269.251 1.269 0 50 CDAA O=c1c2nccnc2ncn1Cc1ccc2cc[nH]c2c1 584885330 AYYBUXMZLAOUIM-UHFFFAOYSA-N 277.287 1.716 0 50 CDAA CCc1nnc(CN(C)Cc2nc3ccccc3[nH]c2=O)o1 670450266 YNYCFWDVMXBHBB-UHFFFAOYSA-N 299.334 1.501 0 50 CDAA Cc1nc(C)c(CC(=O)N[C@H]2CCc3c[nH]nc3C2)s1 670442960 ORKKFCKTXNQDPT-NSHDSACASA-N 290.392 1.699 0 50 CDAA CCOc1ccc(CN2CC[C@H](CO)C2)cc1CN(C)C 670437449 IVRZFIRBVJWIJK-HNNXBMFYSA-N 292.423 1.961 0 50 CDAA Cc1ccc(CN(C)Cc2ncnn2CC(C)(C)O)cc1 670450951 KURQIQUALLPXRW-UHFFFAOYSA-N 288.395 1.989 0 50 CDAA Cc1nnc(C(=O)NCc2nc3c([nH]2)CCCC3)s1 1413667111 PGCAVEVRIUHLKT-UHFFFAOYSA-N 277.353 1.378 0 50 CDAA COCc1nocc1C(=O)N1CC[C@H](O)C12CCCC2 1361708728 SPYKDYYKBSTGEX-LBPRGKRZSA-N 280.324 1.341 0 50 CDAA CC(C)(C)OC(=O)NCC12CCC(C(=O)O)(CC1)CO2 1554770959 USPLPVGPSAIOPB-UHFFFAOYSA-N 285.340 1.925 0 50 CDAA CC(C)C(=O)N1CCC[C@@H](NCc2ncc[nH]2)C1 952991040 LDSJRUBOANQOOB-LLVKDONJSA-N 250.346 1.146 0 50 CDAA C[C@@H](CC(N)=O)N(C)C(=O)c1cccc2c1CCC2=O 952988222 QBBRXBLZAMPLQT-VIFPVBQESA-N 274.320 1.151 0 50 CDAA O=C(O)[C@@H](F)[C@H]1CCN(C(=O)COC2CCCCC2)C1 1548597840 IGKUJZZMYFYDQP-GWCFXTLKSA-N 287.331 1.607 0 50 CDAA OC[C@@H]1CCCCN1CCNc1ncnc2[nH]ccc12 952963274 IOKKTOJNFCNRPM-NSHDSACASA-N 275.356 1.217 0 50 CDAA CCc1ccc2occ(C(=O)N[C@H](CO)CN(C)C)c2c1 408517886 ZOPSMALUDXHASG-LBPRGKRZSA-N 290.363 1.648 0 50 CDAA CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)O1 275493253 ZYMRUUMIXWKBIT-XQHKEYJVSA-N 293.367 1.324 0 50 CDAA CC[C@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)O1 275493241 ZYMRUUMIXWKBIT-CYDGBPFRSA-N 293.367 1.324 0 50 CDAA Cc1ccoc1C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 275408212 NYLVARKHWBJNEI-GXTWGEPZSA-N 289.335 1.972 0 50 CDAA CC[C@@H](SC)C(=O)N1CCN(C)[C@H](c2nccn2C)C1 276733039 QYYAPLYGIZLNFQ-NWDGAFQWSA-N 296.440 1.377 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 277032158 CVAIILGGUQHSKK-ZYHUDNBSSA-N 279.340 1.268 0 50 CDAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2cn(C)nn2)C1 546586594 MDLZSOHSPLRSHK-CYBMUJFWSA-N 291.355 1.211 0 50 CDAA COCCCNC(=O)CN1C[C@H](C)Oc2c(F)cccc21 185982988 BBWUCZKYPUMPGA-NSHDSACASA-N 296.342 1.566 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1c[nH]c(C(N)=O)c1 547478585 CRDDMDJWWBKRHB-SSDOTTSWSA-N 289.339 1.586 0 50 CDAA CC(C)[C@H]1CN([C@@H](C(=O)O)c2cccnc2)CCCO1 578380613 DLYXHSHKUYXGQD-ZIAGYGMSSA-N 278.352 1.954 0 50 CDAA Cc1n[nH]c(=N[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)o1 583616736 KYPIUVIAVGMOQX-HTQZYQBOSA-N 264.251 1.237 0 50 CDAA C[C@@H]1C[C@H](C(=O)NCCCn2cnnc2O)CC(C)(C)C1 585130078 GYKBSSJBCDZAOU-NEPJUHHUSA-N 294.399 1.952 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCn3cncc32)c2c(C)noc2n1 585122602 FZSTZPIOFRKHJR-LLVKDONJSA-N 297.318 1.911 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)Nc1ccnc2ccnn12 191882351 FNDQICYFGXDTRD-NXEZZACHSA-N 260.297 1.483 0 50 CDAA O=C(Cc1ccccc1Cl)N1CC[C@H](CO)[C@@H](O)C1 192003075 XSNSKGZGMWGNNS-YPMHNXCESA-N 283.755 1.084 0 50 CDAA COc1cccc(CN2CCCN(C(N)=O)CC2)c1F 192947105 VUSILZHZVIITPJ-UHFFFAOYSA-N 281.331 1.421 0 50 CDAA C[C@@]1(C(N)=O)CCCCN1C(=O)N1CCc2ccccc21 193491400 WJCZRFFLDLCSTE-INIZCTEOSA-N 287.363 1.899 0 50 CDAA Nc1nccc([C@@H]2CCCN(c3ncc(F)cn3)C2)n1 193536597 PBOFULWLIOGDSO-SECBINFHSA-N 274.303 1.372 0 50 CDAA CC[C@@H](N[C@@H]1CCc2nc(COC)nn2C1)C1CCC1 567336061 MELDKJCZXWNORX-CHWSQXEVSA-N 278.400 1.908 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)[C@@H]2CCCC[C@@H]12 659195584 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DPFKVRIFXLDNLD-NSHDSACASA-N 268.320 1.312 0 50 CDAA O=C(O)[C@H]1C[C@H]2[C@H](C1)C[C@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 2325769431 ZEQUIRGXAATLOH-KCUSNBPKSA-N 289.335 1.129 0 50 CDAA CN(Cc1ccon1)C1=NC[C@H](c2ccccc2)N1 2325771411 OESIGGAJPGREQB-CYBMUJFWSA-N 256.309 1.807 0 50 CDAA C[C@@H]1CCn2ncc(C(=O)N[C@@H]3C[C@@H](CN)C3(C)C)c2C1 2325799791 XRFJXZQKSQODIN-UHIISALHSA-N 290.411 1.569 0 50 CDAA C[C@@H]1CN(C(=O)c2cnnn2C2CC2)c2cccnc2O1 2325814576 RQBDZJUMOXWDFF-SECBINFHSA-N 285.307 1.436 0 50 CDAA O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O 77536 MEXVAAGSEKDAHV-HNNXBMFYSA-N 299.326 1.878 0 50 CDAA biogenic CNC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1 306118 YKJWQLSYTFYXRU-NSHDSACASA-N 279.727 1.714 0 50 CDAA CC(=O)O[C@@H]1CSC[C@H]1NC(=O)c1ccccc1 323690 LXWGFYRUAGBBNK-VXGBXAGGSA-N 265.334 1.464 0 50 CDAA biogenic Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1 609776 BIEYFOHSWAIQDF-UHFFFAOYSA-N 279.303 1.919 0 50 CDAA in-vitro CN(C(=O)CSc1nncc(O)n1)c1ccccc1 1282323 QFVWTEXGWKQXKX-UHFFFAOYSA-N 276.321 1.332 0 50 CDAA Fc1ccc(CNCCCN2CCOCC2)cc1 2380313 GYOBGFHXRZIXEL-UHFFFAOYSA-N 252.333 1.638 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2ccc(N)cn2)CC1 2563855 RMHRRMBFHGEDSR-UHFFFAOYSA-N 278.356 1.721 0 50 CDAA N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 3878751 ODNKLORLNFNXAP-ZJUUUORDSA-N 268.363 1.340 0 50 CDAA COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(C)C 4556760 AJMOLNFDYWTVQW-MNOVXSKESA-N 258.362 1.064 0 50 CDAA CN1C(=O)/C(=C\C=C2/SCCN2C)N(C)C1=S 4955212 FVFBOOXTOBVBGN-HXGSSHHBSA-N 269.395 1.079 0 50 CDAA COC1([C@H](C)NC(=O)c2nn(C)cc2C)CCC1 412769895 UQFIYTFMVMCVFA-JTQLQIEISA-N 251.330 1.416 0 50 CDAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1c[nH]nc1C1CC1 225611970 YZCIEJIHLYQKTF-DZGCQCFKSA-N 298.346 1.942 0 50 CDAA O=S(=O)(c1cnn[nH]1)[C@@H]1CCc2c(F)cc(F)cc21 133440052 RWQCUZJMTDHNOF-SNVBAGLBSA-N 285.275 1.544 0 50 CDAA CCOc1ccc(N2C[C@H](c3nnc(N)o3)CC2=O)cc1 21663370 WWSLHAMUAHRCRK-SECBINFHSA-N 288.307 1.571 0 50 CDAA C[C@@H]1C(=O)N(CC(=O)N(C2CC2)[C@H](C)C2CC2)C(=O)[C@H]1C 246371178 NWMIEQFGZAHUMM-GARJFASQSA-N 292.379 1.417 0 50 CDAA Cc1cc2ccccc2n1CCC(=O)N1CC[C@@H](O)C1 55132050 MQINTKGFZSYOLR-CQSZACIVSA-N 272.348 1.933 0 50 CDAA C[C@]12[C@@H]3[C@@H]4[C@@H](C[C@@H]1[C@H]42)n1c(=O)n(-c2ccccc2)c(=O)n13 104290723 FQHFHRWUGUCAOG-IDODXLPYSA-N 281.315 1.182 0 50 CDAA c1coc(CN(CCN2CCOCC2)Cc2c[nH]cn2)c1 55344515 NHUAZNVXSJURTD-UHFFFAOYSA-N 290.367 1.337 0 50 CDAA CN(C)S(=O)(=O)c1ccc(Br)c(F)c1 118061861 HXXQGQQYIIUQHY-UHFFFAOYSA-N 282.134 1.839 0 50 CDAA CN1C[C@H](c2n[nH]c(=O)n2-c2cccc(Cl)c2)CC1=O 65526443 TYUCWFYWHPQROY-MRVPVSSYSA-N 292.726 1.160 0 50 CDAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ncccn1 345913773 WCEKXUBUEYQMRH-BFHYXJOUSA-N 277.368 1.493 0 50 CDAA CCOC(=O)N1CCC(N2CCCN(C)CC2)CC1 22456127 XXXNSYICFXDMQB-UHFFFAOYSA-N 269.389 1.245 0 50 CDAA CCn1cc(CCN2CC[C@H](C)[C@@H](OC)C2)cn1 348191592 VXXTXPUCMDWYCN-JSGCOSHPSA-N 251.374 1.802 0 50 CDAA O=C(Cn1cc(Cl)cn1)N1CC[C@]2(CCCNC2)C1 67784341 NCUSLLUQMOPUQK-ZDUSSCGKSA-N 282.775 1.139 0 50 CDAA O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cccnc2)C1 215246102 QGXPELHTZCSEJO-AWEZNQCLSA-N 298.346 1.507 0 50 CDAA CC(C)c1nnc(/C=C/C(=O)N2C[C@@H](O)C3(CC3)C2)o1 364447059 GZFIOYXVWHNZIV-HMDXOVGESA-N 277.324 1.190 0 50 CDAA Cc1oc2ncnc(NC(=O)[C@@H](C)n3cncn3)c2c1C 172325746 VAWFKAFFXKQBEV-MRVPVSSYSA-N 286.295 1.631 0 50 CDAA CCCNc1ncc(CN2CC(N3CCCCC3)C2)cn1 215957482 JHWDVVUSDGOCIM-UHFFFAOYSA-N 289.427 1.969 0 50 CDAA Cc1cc(N2CCN[C@@H](C(=O)O)C2)nc2ccccc12 72134513 SYSHFLQUWGKCQZ-CYBMUJFWSA-N 271.320 1.406 0 50 CDAA Cc1cc(C(=O)NCCN2CCOCC2(C)C)ccn1 331328063 GKBSBRMBTTZBTG-UHFFFAOYSA-N 277.368 1.231 0 50 CDAA CN1[C@H]2CC[C@@H]1CCN(C(=O)NC1CCCC1)C2 71260763 AQXHMINPOSNYSI-OLZOCXBDSA-N 251.374 1.807 0 50 CDAA C[C@H]1CCN(c2noc(-c3ccccc3)n2)C[C@@H]1O 158352738 DCQOCNKAEUIDRP-JQWIXIFHSA-N 259.309 1.944 0 50 CDAA CCCn1nccc1C(=O)N1CCn2cncc2C1 72163104 OOAIIUCBABQTBE-UHFFFAOYSA-N 259.313 1.146 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2)C1(C)C 261804674 WEEHSGKQHDRZLP-GRYCIOLGSA-N 254.374 1.400 0 50 CDAA O=C(c1cc2occc2[nH]1)N1CCO[C@@]2(CCCOC2)C1 606443446 QHDUIURHTBTWKD-HNNXBMFYSA-N 290.319 1.783 0 50 CDAA COCCn1ccnc1CN(C)Cc1cn[nH]c1C 216509117 WUXUMZDLMKKUCZ-UHFFFAOYSA-N 263.345 1.193 0 50 CDAA O=C(c1cc(=O)[nH]o1)N1CCCC[C@H]1c1ccccn1 216506411 WJHOLZTUBLATMX-NSHDSACASA-N 273.292 1.730 0 50 CDAA CCn1ccnc1C(=O)N1CCC2(CCOCC2)[C@H]1C 336099237 CELHJTIRKFJDTF-GFCCVEGCSA-N 277.368 1.934 0 50 CDAA O=C1NCCC[C@H]1N1CC[C@]2(CCc3ccccc3O2)C1 336008524 CKABMTVFJUMRHP-RHSMWYFYSA-N 286.375 1.735 0 50 CDAA CC(C)(C)CC(C)(C)NC(=O)NC[C@@H]1CNCCOC1 72156059 ZREBMEHVHSHLLC-LBPRGKRZSA-N 285.432 1.736 0 50 CDAA CC1(c2noc(-c3cnc4n(c3=O)CCS4)n2)CC1 333231244 OEIZZRXFOLZQFA-UHFFFAOYSA-N 276.321 1.451 0 50 CDAA CNC[C@@H]1CCCN(C(=O)c2cccnc2NC(C)C)C1 237203689 HFGHJVHBGLKNKI-ZDUSSCGKSA-N 290.411 1.974 0 50 CDAA COc1cccc2c1OCCCN(C[C@@]1(O)CCNC1)C2 77385455 VFAZAEVTTKZLSF-MRXNPFEDSA-N 292.379 1.004 0 50 CDAA CC(C)n1cc([C@@]2(O)CCCN(Cc3c[nH]cn3)C2)nn1 284700072 SKZVKFORWUESAD-CQSZACIVSA-N 290.371 1.066 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)c2cccc(O)n2)C1(C)C 283033950 OTWODOCHZOMDOK-ABAIWWIYSA-N 294.351 1.083 0 50 CDAA N[C@@H]1CCN(C(=O)/C=C/c2ccc3ccccc3n2)C1 237922896 MDLLIUGMRRSPDU-SBDDDAINSA-N 267.332 1.808 0 50 CDAA CC(C)n1cc([C@@]2(O)CCCN(Cc3ccno3)C2)nn1 284512636 DWMUZDFNTWUEJZ-CQSZACIVSA-N 291.355 1.331 0 50 CDAA CC(C)COC[C@H](O)CN1CC[C@@]2(O)CCCC[C@H]2C1 241338527 MBLHMTWGCQWAGG-XHSDSOJGSA-N 285.428 1.647 0 50 CDAA Cc1cc(C)n([C@@H](C)C(=O)NCc2cc(C)on2)n1 49314313 ZCRIITVBBPHGCD-NSHDSACASA-N 262.313 1.674 0 50 CDAA COCCN1CN(CCc2ccc(F)c(F)c2)CC1=O 338373317 VCOMFMIROKABHZ-UHFFFAOYSA-N 284.306 1.255 0 50 CDAA O=c1[nH]cc(I)cc1C(F)(F)F 49581976 ACMILMILHHLANU-UHFFFAOYSA-N 288.994 1.998 0 50 CDAA in-vitro Cc1ncc(C(=O)N2CC[C@](C)(C(=O)O)C2)s1 178260836 XMKSUJIVVOYTRE-NSHDSACASA-N 254.311 1.388 0 50 CDAA CC(C)Cc1cc(C(=O)NCCCCO)n(C)n1 82108499 ZPOFAZOAFKJFOH-UHFFFAOYSA-N 253.346 1.121 0 50 CDAA OCc1ccc(F)c(CN2CC[C@H](c3nc[nH]n3)C2)c1 528524812 HOZOLQYCZGURHT-NSHDSACASA-N 276.315 1.426 0 50 CDAA CC(C)(C)c1nnc(NC(=O)N2CCC[C@H](O)C2)s1 48697143 XYYYHTHPWBGUSP-QMMMGPOBSA-N 284.385 1.824 0 50 CDAA Cc1c[nH]c(C(=O)NC2(CC(=O)O)CCCCC2)n1 223378377 KEMCJEJWQZQMTD-UHFFFAOYSA-N 265.313 1.626 0 50 CDAA O=C(NCCCCCO)N1CCOc2ccccc2C1 426489843 AZLPNQSBMNTLOA-UHFFFAOYSA-N 278.352 1.753 0 50 CDAA Cc1cncnc1C1CCN(Cc2c[nH]cn2)CC1 97713535 RTFZBPRHYOZQTL-UHFFFAOYSA-N 257.341 1.888 0 50 CDAA Cc1ccc(-c2ncc(C(=O)N(C)C)c(=O)[nH]2)cc1 91817560 VIJPJPHYHDWSCK-UHFFFAOYSA-N 257.293 1.447 0 50 CDAA C[C@@H](c1ccncn1)N(C)Cc1cnn(CCC(=O)O)c1 97514956 BVGMYDUYUAOKMU-NSHDSACASA-N 289.339 1.341 0 50 CDAA O=c1cc(CNC[C@H]2CCOC2)[nH]c2c(F)cccc12 91769895 YFAAPKMRVXJMFA-SNVBAGLBSA-N 276.311 1.793 0 50 CDAA Cc1cccc(OCCN2C(=O)CCNC2=O)c1C 95501427 MQTJJSOTDPZGNW-UHFFFAOYSA-N 262.309 1.624 0 50 CDAA Cc1nc(N)nc(N2CCN(c3ccncc3)CC2)c1C 95370201 DKYDJZIYKHPSFK-UHFFFAOYSA-N 284.367 1.397 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2[nH]nc3c2CCC3)C[C@H]1C1CC1 91695196 LYMQCQCBAMCKFY-WDEREUQCSA-N 289.335 1.081 0 50 CDAA CCOC(=O)[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 238790008 SESCEXYKMJZFEE-ILWJIGKKSA-N 255.314 1.662 0 50 CDAA CCn1nc(CC(C)C)cc1C(=O)N1CC[C@@H](O)C1 91391076 PVJVNYYPSFUECC-GFCCVEGCSA-N 265.357 1.308 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@H]2N 238855426 RSUOYMZSXZUASP-DTIDVZRVSA-N 256.346 1.263 0 50 CDAA O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1CCOC1 93064764 KMDYRUJXTXMZNH-AWEZNQCLSA-N 289.379 1.451 0 50 CDAA NC1CCN(C(=O)c2c(Cl)nc3ccccn23)CC1 237841147 KUMMTCIIINPQGZ-UHFFFAOYSA-N 278.743 1.551 0 50 CDAA COC1(CNC(=O)c2snnc2C)CCCC1 295277349 HKFYNAJPRLLOSR-UHFFFAOYSA-N 255.343 1.536 0 50 CDAA O=C(NCCc1cn[nH]c1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1 297030498 JWJRPJCXKKWGKG-AJNGGQMLSA-N 286.379 1.806 0 50 CDAA Cc1ccccc1OCCN(C)C(=O)[C@]1(F)CCNC1 299740201 WWUJLJYYJHPAPV-HNNXBMFYSA-N 280.343 1.534 0 50 CDAA O=C(CCc1ccno1)NCC1(Cn2ccnc2)CC1 534629941 NJFICVUDRNUCNL-UHFFFAOYSA-N 274.324 1.400 0 50 CDAA CN=c1[nH]c(C)cc(=NC[C@H](c2ccccc2C)N(C)C)[nH]1 534638596 XFBVJSUCWYYJJT-OAHLLOKOSA-N 299.422 1.694 0 50 CDAA O=C(NCCCOC1CCCC1)c1ccc(O)cn1 534665402 XXRMYRHUZVWCTF-UHFFFAOYSA-N 264.325 1.866 0 50 CDAA O=C(O)Cn1cnc(-c2ccc(-n3cccn3)cc2)n1 534671654 JDJAGBPESCVGBD-UHFFFAOYSA-N 269.264 1.215 0 50 CDAA Cc1c(Cl)cc(C(=O)O)cc1S(=O)(=O)N(C)C 185119337 FYDKZECEENDLNT-UHFFFAOYSA-N 277.729 1.597 0 50 CDAA COC[C@@]1(C)CN([C@@H](C(=O)O)c2ccsc2)CCO1 629379418 PEXHSJJXZTXJNS-DGCLKSJQSA-N 285.365 1.611 0 50 CDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(CCn1nc(C)cc1C)CC2 299756613 FRDPMBYBFHBZHX-OWCLPIDISA-N 293.411 1.504 0 50 CDAA COc1ccc(NC(=O)NCCc2c[nH]cn2)c(OC)n1 299789253 YEFZBXOHZVKQKX-UHFFFAOYSA-N 291.311 1.186 0 50 CDAA Cc1ccnc([C@@H](NC(=O)Nc2cn(C)nn2)C2CC2)c1 299763806 DIILJCSPEWFRKR-ZDUSSCGKSA-N 286.339 1.791 0 50 CDAA Cn1ccnc1NC(=O)c1ccc(N2CCCC2=O)cc1 574661004 TYKIHBKDDXYWJC-UHFFFAOYSA-N 284.319 1.799 0 50 CDAA CCc1nccn1CCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 823557258 IJCHATQMXXEKBE-NSHDSACASA-N 289.383 1.615 0 50 CDAA CN1CCC[C@@H](CCC(=O)NCCc2ncc[nH]2)C1 823770642 STOUEYVCTWWCCD-LBPRGKRZSA-N 264.373 1.190 0 50 CDAA CCCc1ncncc1C(=O)N(C)Cc1nncn1CC 584887260 GMDMXTMNUYUAQM-UHFFFAOYSA-N 288.355 1.313 0 50 CDAA COc1ccc2ncn(C[C@H](CO)C(C)C)c(=O)c2c1 584892480 MXNQEABNZLFKCA-LLVKDONJSA-N 276.336 1.670 0 50 CDAA COc1ccc(C(=O)NCCn2nc(C)c(C)c2C)cn1 670468390 WQLUMSPESZNAPC-UHFFFAOYSA-N 288.351 1.642 0 50 CDAA Cn1cc([C@@H]2CN(c3nc(C(=O)O)co3)CC2(C)C)cn1 910385407 ZQVKBIJQHJIHQK-JTQLQIEISA-N 290.323 1.736 0 50 CDAA O=C1CN(C(=O)CC(F)(F)F)[C@@H]2CCCC[C@H]2N1 132160557 JOGKHFDUVALOBK-HTQZYQBOSA-N 264.247 1.208 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C2CCCC2)C1 958528826 WBHHXFZINGEEKD-SWLSCSKDSA-N 284.400 1.876 0 50 CDAA CC(C)N1CC[C@H](N2CCC[C@@H]([C@H](C)O)C2)C1=O 245338719 OAGOMHUBNQAPDY-XQQFMLRXSA-N 254.374 1.089 0 50 CDAA O=C(NC[C@]1(O)CCc2ccccc21)c1ccccc1O 305228891 QIUGRIAAIYGZCE-QGZVFWFLSA-N 283.327 1.956 0 50 CDAA CCc1csc(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)n1 408505051 YHNDWMRRAKXUGH-LURJTMIESA-N 296.320 1.166 0 50 CDAA Cc1cc(CNC(=O)[C@H](C)Cn2cccn2)cnc1C 952966465 HVVPOAMKIBOXMX-GFCCVEGCSA-N 272.352 1.847 0 50 CDAA C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CCCO1 221805176 ULSNMHGOMUEZJE-DCAQKATOSA-N 294.317 1.697 0 50 CDAA C[C@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CCNC2)C1 269273843 YYRYXWQJDRQPFZ-STQMWFEESA-N 273.380 1.715 0 50 CDAA CCOc1cc(NC2CCN(CCOC)CC2)ncn1 274623286 VARMNEQEZUZUNE-UHFFFAOYSA-N 280.372 1.398 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2ccc(C)o2)n1 275460581 HCLBBBJVRQDMTM-ZYHUDNBSSA-N 263.297 1.587 0 50 CDAA Cc1ccc(O)c(CN2C[C@H](O)C[C@@H]2c2nc(C)no2)n1 275711340 YHRJSETXWZQLCB-ZYHUDNBSSA-N 290.323 1.095 0 50 CDAA Nc1nc(Cl)cc(N2CC(O)(c3ccc(F)cc3)C2)n1 170598755 KXGQJHBYZXTKRX-UHFFFAOYSA-N 294.717 1.559 0 50 CDAA O=C(Nc1[nH]c(=O)ncc1F)c1cccc2c1CCC2 170605938 WVUIMHJOXHLHKH-UHFFFAOYSA-N 273.267 1.650 0 50 CDAA Cn1cncc1-c1noc(-c2cccc(-n3cnnn3)c2)n1 170615419 IROFZYOQGFLWTK-UHFFFAOYSA-N 294.278 1.113 0 50 CDAA CC(C)n1ccc(CNC(=O)N2CCC[C@H](C(=O)O)C2)n1 579567342 PXNUEMNOASAXEG-NSHDSACASA-N 294.355 1.470 0 50 CDAA O=C(Nc1ccon1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 190143905 PBRZCSLVEUWALX-SNVBAGLBSA-N 289.295 1.090 0 50 CDAA O=C(NOCc1ccccc1)[C@H]1CC(c2cccnc2)=NO1 191241964 LKLMMSKWOQVGGY-OAHLLOKOSA-N 297.314 1.823 0 50 CDAA Cc1cccc(CC2CN(C(=O)Cc3cc[nH]n3)C2)c1 674735239 RFDVTQNMEBOBBD-UHFFFAOYSA-N 269.348 1.962 0 50 CDAA O=C(O)c1ccccc1OCCN1CCOC[C@H]1C1CC1 582790993 MXFQLFMBOATJEA-AWEZNQCLSA-N 291.347 1.874 0 50 CDAA O=C(CCc1ncccn1)N1CCc2ccccc2[C@H]1CO 585085545 RFKSTRMJOXTVCE-OAHLLOKOSA-N 297.358 1.528 0 50 CDAA C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cn2)C(=O)O1 585119958 CGYSSYXZJCPLHK-POYBYMJQSA-N 253.233 1.046 0 50 CDAA O=C(NCCCn1cccn1)NCc1cnc(Cl)s1 585137618 JSMDFDSGXQXZKQ-UHFFFAOYSA-N 299.787 1.883 0 50 CDAA Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H](N)C2)c1 195109927 VAISZUWMUPEBKS-STQMWFEESA-N 262.353 1.712 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)c2ccccc21)C1CCOCC1 653333319 NSMBVAABMIQUEQ-KGLIPLIRSA-N 289.331 1.842 0 50 CDAA O=C(c1cncc(O)c1)N1CCC[C@@H](C2(O)CC2)C1 1772813435 ANZXSSVOUJKXQE-LLVKDONJSA-N 262.309 1.164 0 50 CDAA CCn1ncc(S(=O)(=O)NCCCc2ccccc2)n1 1615549985 OUPZBMXUTKHVBJ-UHFFFAOYSA-N 294.380 1.209 0 50 CDAA CN(C)CCc1nnc(NC(=O)Cc2cccnc2)s1 1506406987 SUTFNQBNRIILRO-UHFFFAOYSA-N 291.380 1.218 0 50 CDAA O[C@@H]1CN(CCCCOc2ccccc2)C[C@H]1F 1506419823 KGLYOXIXWOVQAJ-ZIAGYGMSSA-N 253.317 1.860 0 50 CDAA CCc1nn(C)c(NC(=O)c2cscn2)c1C 1529101296 BYKUGUBEJSLOLG-UHFFFAOYSA-N 250.327 2.000 0 50 CDAA Cc1nsnc1C(=O)N(C)Cc1cscn1 1857694144 BYMZAPDBSAQJFN-UHFFFAOYSA-N 254.340 1.575 0 50 CDAA O=C(N[C@@H]1CNC[C@@H](F)C1)OCc1ccccc1 110915986 ABEYDAZZAVWOEL-RYUDHWBXSA-N 252.289 1.613 0 50 CDAA in-vitro CN1CCN(C(=O)NCC2CCC(F)(F)CC2)CC1=O 225747012 QGDIWAYBHLMCOF-UHFFFAOYSA-N 289.326 1.296 0 50 CDAA Cc1ccnc(N2CCCN(C(=O)C3CC3)CC2)c1 152803339 TUSWJPBFJWEQGU-UHFFFAOYSA-N 259.353 1.839 0 50 CDAA CCNS(=O)(=O)c1ccc(OC)c(NC(=O)CC)c1 16578444 DUVLXRFCXPFGBB-UHFFFAOYSA-N 286.353 1.342 0 50 CDAA Cc1cc(C)n(CCC(=O)N2CCC[C@@H](C3(O)CC3)C2)n1 1772810928 PTGVYKLYEHULCZ-CQSZACIVSA-N 291.395 1.654 0 50 CDAA O=C(NCc1cccn2nccc12)c1cc(C(F)F)[nH]n1 1772805295 JLLOZWILSGABFK-UHFFFAOYSA-N 291.261 1.925 0 50 CDAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC(C)C)C2)c1 5030683 BCOJIGRJCIXTHG-CQSZACIVSA-N 292.335 1.721 0 50 CDAA CCOC(=O)c1c(-c2cccc(OC)c2)n[nH]c1N 16622094 VJVUMDPQZPJORI-UHFFFAOYSA-N 261.281 1.844 0 50 CDAA O[C@@H]1CCCN(c2ncc(Br)cn2)C1 16678701 GRLXJCOKIJPPLA-MRVPVSSYSA-N 258.119 1.200 0 50 CDAA O=C1NC(=S)NC1(c1ccccc1)c1ccccc1 16916510 AMDPNECWKZZEBQ-UHFFFAOYSA-N 268.341 1.935 0 50 CDAA OC[C@H](O)CCn1ccnc1-c1cccc2ncccc12 1857689379 OIYBJSJSHCFJGG-GFCCVEGCSA-N 283.331 1.842 0 50 CDAA O=C(c1ccccc1F)N1CC[C@H]2[C@@H]1CC(=O)N2C1CC1 1857692363 BAYZHFPXPIZCPV-KBPBESRZSA-N 288.322 1.804 0 50 CDAA CC[C@H]1C[C@@H](O)CC2(CCN(CCn3ccnc3)CC2)O1 1857697655 GQPMSQYWLUMWDC-CABCVRRESA-N 293.411 1.668 0 50 CDAA Cc1ncsc1CCNC(=O)[C@@H]1CCn2nccc2C1 1857709571 GFCOLQVZFPEBHT-LLVKDONJSA-N 290.392 1.569 0 50 CDAA Cc1ccc(CC(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)cc1 1857724089 LNTLDIZNPHVDHV-IMJJTQAJSA-N 288.391 1.515 0 50 CDAA C[C@@H]1CCC[C@H](OCC(=O)N2CC[C@@H](N)C[C@H]2C)C1 408519195 QAECIQOSFMQBCA-SYQHCUMBSA-N 268.401 1.920 0 50 CDAA CC[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ncc[nH]1 632043927 UVAAESFOXDOQQC-NWDGAFQWSA-N 298.412 1.047 0 50 CDAA Cc1ccc(CNC(=O)CN2[C@@H](C)C[C@H](O)C[C@H]2C)cc1 242324307 YZXADBZBRUTTRE-MIFYACCESA-N 290.407 1.845 0 50 CDAA C[C@H]1CN(C(=O)CCc2ccsc2)C[C@@H](C)N1CCO 456224943 MQUYRINLQWWTQI-BETUJISGSA-N 296.436 1.594 0 50 CDAA O=C(c1ccc(F)c2ccccc12)N1C[C@@H](O)C[C@H]1CO 253430539 FHSVQCQPSZKUBY-QWRGUYRKSA-N 289.306 1.547 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@]1(C)C(=O)O 263367481 AJOBEOWXYPDJDA-COPLHBTASA-N 285.340 1.036 0 50 CDAA Cn1nccc1C1CCN(c2cccc(C(=O)O)n2)CC1 263483599 GUWBLAKCZADATA-UHFFFAOYSA-N 286.335 1.897 0 50 CDAA Cc1nn(C)cc1NC(=O)CC1CCN(C)CC1 813461362 KDJXVILMDLTYQO-UHFFFAOYSA-N 250.346 1.399 0 50 CDAA Cn1cnnc1C1CCN(c2ncc(Cl)cn2)CC1 267074252 JDJPZHRADMPWPG-UHFFFAOYSA-N 278.747 1.643 0 50 CDAA COCCN1CCC[C@H](Nc2nccc(C)c2[N+](=O)[O-])C1 399528251 SXVBARCGGMGGFK-LBPRGKRZSA-N 294.355 1.821 0 50 CDAA C[C@H]1[C@H](C)CCCN1C(=O)Cc1nnc(N)s1 952882639 HBEDTXMMNVGFLL-SFYZADRCSA-N 254.359 1.310 0 50 CDAA CC[C@@H]1CN(C(=O)CCc2cc[nH]n2)C[C@H](C)[S@@]1=O 1875294703 UORHPIBZAZPOAL-DJHSXXLPSA-N 283.397 1.100 0 50 CDAA C=CC(=O)NCC(=O)Nc1cccc(Cl)c1C 1875370740 BJYTXTMIDJLAKU-UHFFFAOYSA-N 252.701 1.889 0 50 CDAA Cn1cnc(-c2ccc(OC[C@@H]3C[N@@]3CC3CC3)cc2)n1 1875384062 CBNPIELIFWBKQQ-VBKZILBWSA-N 284.363 1.955 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)c1ccn2cncc2c1 1775959261 RPJFWTANOVBOSV-LBPRGKRZSA-N 295.346 1.523 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCCOC1 250939245 YYRCFWJUYMNIDR-LOWDOPEQSA-N 281.352 1.657 0 50 CDAA O=C(Cc1ccn[nH]1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253396147 LHCFBUQXRRWZJT-MJBXVCDLSA-N 277.368 1.494 0 50 CDAA CC(C)n1nnnc1CN(CC(=O)O)c1ccccc1 263570568 IIPWTWYBKOMGHH-UHFFFAOYSA-N 275.312 1.345 0 50 CDAA CC[C@H](C(=O)O)N1CCCN(CC(F)(F)F)CC1 191428263 ZXPXBRQRKZXRAO-SECBINFHSA-N 268.279 1.420 0 50 CDAA Cc1ncc(CN2CC[C@](O)(c3ccccc3)C2)n1C 97527319 NAUVFAMBLDGFAW-MRXNPFEDSA-N 271.364 1.822 0 50 CDAA OC[C@H]1CN(Cc2cnc3ccccc3c2)C[C@H]1O 317550294 YWDSAOZUHATULB-UKRRQHHQSA-N 258.321 1.020 0 50 CDAA CC(=O)Nc1nc(C(=O)N2CC[C@@H](CO)C[C@H]2C)cs1 354238628 NDLQWEJDHUWSGK-PSASIEDQSA-N 297.380 1.335 0 50 CDAA CN1CCC2(CC1)CCN(C[C@@H]1CCCCO1)C2 639757353 GUXNZELQYHQUIC-AWEZNQCLSA-N 252.402 1.973 0 50 CDAA CCc1ccc(CN2CCO[C@@H](CCOC)C2)nc1 670438900 GBMRIIRFVKMUQE-HNNXBMFYSA-N 264.369 1.881 0 50 CDAA OC[C@@H]1CC(F)(F)CN1c1cnc2ccccc2n1 368720849 BKVDDHBXNJPLGG-VIFPVBQESA-N 265.263 1.836 0 50 CDAA Cc1ccoc1C(=O)N[C@@H](CC(=O)O)C(F)(F)F 829368702 CPUVSQBOMCFWBW-LURJTMIESA-N 265.187 1.723 0 50 CDAA Cc1nocc1Cn1cc(C2(O)CCCCC2)nn1 881299077 XREGSJYLAZLNTN-UHFFFAOYSA-N 262.313 1.775 0 50 CDAA Cc1nc(=NC(=O)c2cc(-c3ccncc3)[nH]n2)[nH]s1 2100542630 BEAVRQDKKBQMBJ-UHFFFAOYSA-N 286.320 1.306 0 50 CDAA c1cc2nccn2c(N2CCC(Cc3cc[nH]n3)CC2)n1 2325767429 QOLNXSJOVVIIFX-UHFFFAOYSA-N 282.351 1.912 0 50 CDAA CN(C(=O)c1cnc([C@H]2CCOC2)s1)c1cn[nH]c1 2325769722 CGRAMMIREGMRTO-QMMMGPOBSA-N 278.337 1.647 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 2325810122 WQBKUYKSUMXMLU-VOAKCMCISA-N 263.337 1.912 0 50 CDAA COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 221749 BLHLROXXSQXSHY-MRVPVSSYSA-N 253.685 1.866 0 50 CDAA Nc1nnnn1NCc1cccc(OCc2ccccc2)c1 359522 XCHYCELRMQJATG-UHFFFAOYSA-N 296.334 1.578 0 50 CDAA in-vitro Cn1nnnc1SCC(=O)Nc1ccc(F)c(F)c1 1125789 BCCIVOWPJUBCBK-UHFFFAOYSA-N 285.279 1.219 0 50 CDAA COc1cc2c(cc1-c1ccc(C(N)=O)cn1)OCO2 2356142932 NZQBGDPYSHCFCG-UHFFFAOYSA-N 272.260 1.585 0 50 CDAA O=C(NS(=O)(=O)Cc1ccon1)[C@H]1C[C@H]2CC[C@H]1C2 245434540 RQRMHWFFNFNOOA-QXEWZRGKSA-N 284.337 1.057 0 50 CDAA COCc1nc(C)c(C(=O)N(C)[C@@H]2CCC[C@H]2O)s1 341786162 BNIBLAIURKUEFI-NXEZZACHSA-N 284.381 1.583 0 50 CDAA COc1ccc(C(=O)NC[C@@H](C)CN(C)C)cc1 4740410 FULBVEAGOMQODT-LLVKDONJSA-N 250.342 1.623 0 50 CDAA CC(C)(C)NC(=O)CSc1ncnc2[nH]cnc12 7344298 FHQSEAUUJYWYRE-UHFFFAOYSA-N 265.342 1.360 0 50 CDAA Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 20408084 GGSLQKPHCLPKCP-INIZCTEOSA-N 288.391 1.818 0 50 CDAA NC(=O)CCN1CCc2[nH]nc(-c3ccccc3F)c2C1 67674820 LLYHKKJFDUNBSN-UHFFFAOYSA-N 288.326 1.449 0 50 CDAA C[C@H](Cc1ccccc1F)N1CCN(CCO)CC1 22455195 RCZWETNQVRYAGE-CYBMUJFWSA-N 266.360 1.367 0 50 CDAA O=C(O)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 247079481 ICKNGDMYPULTAX-GMTAPVOTSA-N 255.314 1.173 0 50 CDAA Cc1cc(-n2nc(C3CC3)nc2[C@@H]2COCCO2)ccn1 65508192 IOJXZQPLINVYLC-ZDUSSCGKSA-N 286.335 1.936 0 50 CDAA c1[nH]nc2c1CN(CCOC[C@@H]1CCCCO1)CC2 20536665 HEISXRPNRWRCBJ-ZDUSSCGKSA-N 265.357 1.354 0 50 CDAA Cc1ccn2c(NC(=O)c3cncc(F)c3)nnc2c1 345336694 HLYINOWCZYGLKM-UHFFFAOYSA-N 271.255 1.824 0 50 CDAA COc1ccc(-c2ccc(NC(=O)CN)c(F)c2)cn1 67740315 MGLFSDVPGAYGTM-UHFFFAOYSA-N 275.283 1.794 0 50 CDAA c1ccc(-n2nncc2-c2nc(C3CC3)n[nH]2)cc1 67605632 ZVZOPRGOSWMEIO-UHFFFAOYSA-N 252.281 1.930 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ncccn1 345913776 WCEKXUBUEYQMRH-MGPQQGTHSA-N 277.368 1.493 0 50 CDAA CCc1csc(CC(=O)N2CCCC[C@@H]2CN)n1 422753158 IBDBJPZVYRSVGD-LLVKDONJSA-N 267.398 1.588 0 50 CDAA COC(C)(C)C[C@H](C)NCCn1c(C)cc(C)nc1=O 65380999 VTZNBEWOXYNAGR-LBPRGKRZSA-N 281.400 1.653 0 50 CDAA CC(C)Cc1n[nH]c(NC(=O)N[C@H]2CCSC2)n1 39490569 YIWUFZTUWJYDAT-QMMMGPOBSA-N 269.374 1.630 0 50 CDAA COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)O)c(OC)c1 252445591 ARCUEVLEUADRDQ-KPXOXKRLSA-N 293.319 1.602 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1cccc(-n2ccnc2)c1 125010833 RBXUDEZZDNLDDJ-GFCCVEGCSA-N 270.336 1.306 0 50 CDAA C=CC(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1 146990026 GXLAPGAZPZPJOZ-UHFFFAOYSA-N 291.347 1.826 0 50 CDAA CCc1ccc(CCNC(=O)C[C@H]2CNCCO2)cc1 216010226 KXRWYIBZAZEQRP-HNNXBMFYSA-N 276.380 1.286 0 50 CDAA Cc1ncsc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328631267 QSQOANHRWZMGKW-JTQLQIEISA-N 291.380 1.304 0 50 CDAA CNCC(=O)NCCc1nc(-c2ccccc2)cs1 71735819 FYPJVNPVRXVUJQ-UHFFFAOYSA-N 275.377 1.688 0 50 CDAA Cc1cc(C(=O)NC2(C(=N)O)CC2)nn1[C@H](C)C1CC1 329232249 LEODMUVIGBRLHP-SECBINFHSA-N 276.340 1.960 0 50 CDAA C[C@@H](Cc1ccccn1)N(C)C(=O)c1n[nH]c2c1CCC2 215874561 QXZMEXGURUQBNT-NSHDSACASA-N 284.363 1.997 0 50 CDAA O=C(NCCN1CCCC1=O)[C@H](O)c1cccc(Cl)c1 216144701 IDVXZGZLDYBCDA-CYBMUJFWSA-N 296.754 1.112 0 50 CDAA CN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2N)[C@H](CN)C1CC1 333525444 HEKSVSYBXVHUGP-VGVBULKLSA-N 279.428 1.336 0 50 CDAA Cc1ccsc1CN[C@@H](C)CN1CCN(C)CC1 237500876 DPZXKLHUWFAAAV-ZDUSSCGKSA-N 267.442 1.782 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@H](C2CCC2)C1 334006405 UJDAPNDNPUMKGQ-CQSZACIVSA-N 277.368 1.597 0 50 CDAA C[C@H]1CN(C(=O)[C@H](C)Cc2ccccc2F)CCN1 237624685 SQUMBMYVZNCVAC-NEPJUHHUSA-N 264.344 1.825 0 50 CDAA CCN(C(=O)C[C@H]1COCCN1)c1ccc(OC)cc1 262031591 FCJMIFJMCJILHP-LBPRGKRZSA-N 278.352 1.427 0 50 CDAA Cc1cnc(N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)nc1 372322038 RQJUXUVZNGHFCR-KBPBESRZSA-N 287.367 1.611 0 50 CDAA CC1(C)CC[C@@H](C(=O)N2CCC[C@@]3(CCOC3)C2)O1 335040696 COBPWXYGCNXBFT-SWLSCSKDSA-N 267.369 1.973 0 50 CDAA OCC(CO)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 71748221 VNGHDMPCVLQFOU-LBPRGKRZSA-N 299.361 1.963 0 50 CDAA c1cn(-c2ccc(-n3cncn3)cc2)c([C@H]2CCOC2)n1 72143087 JOENNBNTCRBLST-LBPRGKRZSA-N 281.319 1.957 0 50 CDAA O=C1[C@H](N2C(=O)[C@@H]3CCCN3C2=O)CCN1c1ccccc1 240934445 JCCWJAOHPSGGHL-QWHCGFSZSA-N 299.330 1.219 0 50 CDAA C[C@@H](C(=O)NC[C@@H]1CCc2nccn2C1)C1CCOCC1 337791024 ATHOEYAGJKOWKX-OLZOCXBDSA-N 291.395 1.624 0 50 CDAA Cc1ccc(C)c([C@@H]2CN(CC(N)=O)[C@@H](C)CO2)c1 227274367 HUZMKKINXGVTQB-JSGCOSHPSA-N 262.353 1.551 0 50 CDAA Cc1cc(N2CCC[C@@](O)(Cn3ccnn3)C2)ccn1 284427903 FHSNHGQAHSWKDO-AWEZNQCLSA-N 273.340 1.013 0 50 CDAA CCc1nc(NC(=O)NCCc2cccc(C)n2)nn1C 48488648 UMNPPQSZUCLTHX-UHFFFAOYSA-N 288.355 1.445 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(C1CC1)[C@H](C)C(=O)O 263548502 IXEHJHQTMCZRDP-YSSBGUOXSA-N 255.314 1.264 0 50 CDAA O=C(c1ccccc1)N1CCC(N2CC[C@H]3CNC[C@H]32)CC1 426396671 USAUIIJRELVPNA-DOTOQJQBSA-N 299.418 1.585 0 50 CDAA COc1csc(C(=O)N2CC[C@](C)(C(=O)O)C2)c1 161390402 NQILOQKQTSZBAC-LBPRGKRZSA-N 269.322 1.694 0 50 CDAA Cc1cc(=O)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c[nH]1 220001228 YMZJYXGQCRMXBP-CYBMUJFWSA-N 289.379 1.384 0 50 CDAA Cc1cncc(NC(=O)N[C@H](C)c2ncnn2C)c1 97547514 SGNOCYMNIKQZHT-SECBINFHSA-N 260.301 1.401 0 50 CDAA O=C(N1CCNC[C@@H](O)C1)C1(c2ccccc2)CCCC1 97117617 KVOVKLYYKZLXCO-OAHLLOKOSA-N 288.391 1.291 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]2O[C@@H](CO)CC[C@H]21 95616481 DDODHLUDMIVDHJ-GMTAPVOTSA-N 257.330 1.536 0 50 CDAA C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1nnn[nH]1 96141428 WNZSCDULJYOUEF-MRVPVSSYSA-N 272.312 1.571 0 50 CDAA CN(CC1(CO)CC1)C(=O)[C@H](c1ccc(F)cc1)N(C)C 95369856 GWZAQOLLUPZBDW-AWEZNQCLSA-N 294.370 1.659 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)NC2C[C@@H]3C[C@H]3C2)cn1 333400231 NRHPDPIEOBEYQI-QWRGUYRKSA-N 288.351 1.984 0 50 CDAA CCc1ncc(C(=O)N(C)C[C@@H]2CCCCO2)cn1 95358951 WLKAEQCBHQJZHJ-LBPRGKRZSA-N 263.341 1.680 0 50 CDAA O=C(N[C@@H]1CCCCNC1=O)c1ccc(-c2cc[nH]n2)cc1 96152077 WQGUJXODNQOYPQ-CQSZACIVSA-N 298.346 1.475 0 50 CDAA CN1C[C@]2(CCCN(CCCc3cccnc3)C2)OC1=O 244715841 LDJMOHBDPOYYGX-INIZCTEOSA-N 289.379 1.931 0 50 CDAA CCn1cc(CNc2cc([C@H]3C[C@@H](N)C3)nc(N)n2)cn1 244708092 KNJLWRKPCPMHIP-PHIMTYICSA-N 287.371 1.092 0 50 CDAA Cc1cc(NC(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)on1 245287233 BOWBOTIOABOVEX-UXCLJVHYSA-N 265.313 1.512 0 50 CDAA CCn1c(CN2CCC(F)CC2)nnc1[C@H]1C[C@@H](N)C1 244900106 ZWCYMDYDFPVLDA-KLPPZKSPSA-N 281.379 1.437 0 50 CDAA O=C(O)C[C@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O 252478376 AKRHSDQRCAMZJQ-SECBINFHSA-N 282.683 1.235 0 50 CDAA COc1ncncc1NC(=O)N1CCC[C@@H](CO)CC1 296659375 QEEKFHKEFYGIQT-SNVBAGLBSA-N 280.328 1.112 0 50 CDAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C1C=CC=CC=C1 299743411 KYKBOAHXJQVCHF-GOEBONIOSA-N 299.374 1.912 0 50 CDAA CCCN(Cc1nccn1C)C(=O)CCC(=O)O 534581021 HQZSVPUHXYNLQR-UHFFFAOYSA-N 253.302 1.024 0 50 CDAA Cc1nc([C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)n[nH]1 268478364 NONHURNNNVDOTK-LLVKDONJSA-N 288.355 1.753 0 50 CDAA Cc1ncnc(C)c1C(=O)NCC[C@H]1CCCOC1 534575953 IWQIYZXHCVOJET-GFCCVEGCSA-N 263.341 1.640 0 50 CDAA COc1cc(C(=O)N[C@@H](c2nccn2C)C2CC2)ccn1 534668900 MTGFSQSFMPNRPP-CYBMUJFWSA-N 286.335 1.705 0 50 CDAA COC[C@H](C)NC(=O)c1cccc(-c2ncccn2)c1 299780178 BRNHZGWIPWPIQS-NSHDSACASA-N 271.320 1.908 0 50 CDAA O=C(NC[C@H]1CCC2(CCNCC2)O1)C1CCCCC1 299768405 JFTMDEWSWUDWQY-CQSZACIVSA-N 280.412 1.984 0 50 CDAA O=C(NCCCn1cc(Cl)cn1)C1CCOCC1 299769365 XBVMIVITCXPKPY-UHFFFAOYSA-N 271.748 1.469 0 50 CDAA Cn1cncc1CN1CCC(CNC(=O)C2CCC2)CC1 827716921 DAEQWCYRFZTGKB-UHFFFAOYSA-N 290.411 1.548 0 50 CDAA Cc1nc(C(C)C)sc1-c1ncnn1CCO 828778562 ZACWYZFTXNWCDV-UHFFFAOYSA-N 252.343 1.826 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)CCc1cccn1C)CC2 584887178 JBYAKUZWPOWWHK-UHFFFAOYSA-N 272.352 1.574 0 50 CDAA Oc1n[nH]c(CN[C@H]2CCN(c3ccc(F)cc3)C2)n1 584886203 BOBLFHSFQRLVLV-JTQLQIEISA-N 277.303 1.018 0 50 CDAA CCc1nn(C)c2c(=O)n([C@@H](CC)COC)cnc12 584902690 UPGTZEIXRLNGCG-VIFPVBQESA-N 264.329 1.290 0 50 CDAA CC[C@H](NC(=O)NCc1nn[nH]n1)c1nc(C)c(C)s1 584894455 SKFMKOZPIYPLDK-QMMMGPOBSA-N 295.372 1.224 0 50 CDAA CCc1cc2c(=O)n([C@@H]3CCS(=O)(=O)C3)cnc2s1 584885862 BLLCJSNUXVRWII-MRVPVSSYSA-N 298.389 1.380 0 50 CDAA CNC(=O)C[C@@H]1CCN(CCOc2cccc(OC)c2)C1 670449432 GMRUUDGNBJXWIF-ZDUSSCGKSA-N 292.379 1.532 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2cc(CC(C)C)[nH]n2)C1 670449785 KMFFRWYSGHOZIW-GFCCVEGCSA-N 278.400 1.566 0 50 CDAA CO[C@@H]1CCCC[C@H]1NC(=O)N1CCC(O)CC1 241701762 QKXOKDYDBZZLGS-VXGBXAGGSA-N 256.346 1.110 0 50 CDAA CCC[C@H](NCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)O 218057680 RMIQOFXHSVQDHQ-XQHKEYJVSA-N 284.400 1.770 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C 408473940 UMDAFAYKEVEDEW-DGCLKSJQSA-N 299.378 1.835 0 50 CDAA Cc1c(C(=O)N[C@@H]2CNCC[C@@H]2O)[nH]c2ccc(F)cc12 1565513790 RFMZJBQDOICZPB-OLZOCXBDSA-N 291.326 1.068 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)O)C1 96950182 YMXWYGOCCMEURX-LBPRGKRZSA-N 259.302 1.223 0 50 CDAA in-vitro Oc1nccnc1N1CCC[C@H](Nc2ncc(F)cn2)C1 275657701 UTYWUYIUJFAAJJ-JTQLQIEISA-N 290.302 1.192 0 50 CDAA CC(=O)NCCC[S@](=O)c1ccc2c(c1)CCC2 170610976 FMPLSJJMNPFEQD-SFHVURJKSA-N 265.378 1.809 0 50 CDAA O=C([C@@H]1CCCCN1CC(F)(F)F)N1CCOCC1 170778249 MDKBVHNHZZCJAY-JTQLQIEISA-N 280.290 1.262 0 50 CDAA O=C(NCc1cccnc1)c1ccnn1C1CCOCC1 665102239 NJVJTPRPEWCMLT-UHFFFAOYSA-N 286.335 1.560 0 50 CDAA Cc1cc(CN=c2nnc(C)c(C)[nH]2)cc(N2CCCC2)n1 576158309 RNVZXYLIQATUHM-UHFFFAOYSA-N 298.394 1.826 0 50 CDAA O[C@H](CN1CCC(Cn2ccnn2)CC1)CC(F)(F)F 189393123 KQBJRXRLDJIHOA-NSHDSACASA-N 292.305 1.303 0 50 CDAA Cc1conc1NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 671592294 FFHBNANISFTNPN-NEPJUHHUSA-N 290.323 1.823 0 50 CDAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnc2[nH]cnc2c1 677910484 BPDYKGLAIMQJEX-ZANVPECISA-N 285.351 1.170 0 50 CDAA O=C(Cc1ccc(F)cc1Cl)N1CC[C@@H](CO)C1 195546436 SBYSFVPJWSXEEZ-SECBINFHSA-N 271.719 1.862 0 50 CDAA CS(=O)(=O)Nc1cccc(N2CCCC2=O)c1 5329425 UETPTFFXRBQYCE-UHFFFAOYSA-N 254.311 1.185 0 50 CDAA CCOc1cccc(CC(=O)N[C@H]2CCNC23CCC3)n1 1615549097 VDXOMMYJVWXCSQ-ZDUSSCGKSA-N 289.379 1.424 0 50 CDAA C[C@H](O)[C@@H](O)CN[C@H]1CCCN(c2cccc(F)c2)C1 1616030523 BWEVQEVXTFQLKB-WHOFXGATSA-N 282.359 1.126 0 50 CDAA O=C(O)[C@@H]1c2sccc2CCN1C(=O)O[C@H]1CCOC1 1616039926 ZLVWLQLTGHMCKQ-UWVGGRQHSA-N 297.332 1.657 0 50 CDAA O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@@H](O)[C@H](F)C1 952983943 YKZLQCNUSGALRR-RGVKIIRZSA-N 282.359 1.679 0 50 CDAA COC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 376576 SIXGHTIMNMPGMO-UHFFFAOYSA-N 267.237 1.438 0 50 CDAA CCc1sc(C(=O)NC2(C(=O)O)CC2)cc1C 203662730 PVQBFGQZNXTUGD-UHFFFAOYSA-N 253.323 1.966 0 50 CDAA Cc1nncn1CCN1CCC2(CCCN(C)CC2)CC1 1506421239 HSBTYLRQAYVGEL-UHFFFAOYSA-N 291.443 1.784 0 50 CDAA O[C@@H]1CN(CCc2ccccc2)C[C@H]1Cc1cnccn1 1529120067 RZSTYIADPMPFMS-NVXWUHKLSA-N 283.375 1.555 0 50 CDAA CC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(F)c1 2945886 CGXNOMAOTQTLAE-UHFFFAOYSA-N 264.300 1.697 0 50 CDAA CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 4839000 IXFAPGHBSYAROM-UHFFFAOYSA-N 285.369 1.468 0 50 CDAA CC(C)[n+]1noc(NC(=O)c2ccccc2)c1C=O 22864166 RQHHPPAADWZETL-UHFFFAOYSA-O 260.273 1.608 0 50 CDAA in-vitro CN(C)Cc1nnc(NCc2noc(C3CCCC3)n2)o1 1772700260 BDNDLQOHYROMDC-UHFFFAOYSA-N 292.343 1.784 0 50 CDAA CN1CCC(N2CCC[C@@H](NC(=O)C3=CCCC3)C2)CC1 11879569 KYFBWJBHQPPZPO-OAHLLOKOSA-N 291.439 1.772 0 50 CDAA Cc1cc(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)[nH]n1 19227732 YBILIRBYGBYONT-HNNXBMFYSA-N 294.443 1.633 0 50 CDAA CNc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1 19791477 PRSKMUQLPIYMNU-ZDUSSCGKSA-N 299.378 1.872 0 50 CDAA O=c1ccc(Br)cn1C1CCOCC1 205739120 SMJOWUUDEGHJKO-UHFFFAOYSA-N 258.115 1.962 0 50 CDAA COC(=O)[C@H]1CCN(c2cc(C(N)=O)c3ccccc3n2)C1 1857676584 UUBGOTMSVGQXPL-JTQLQIEISA-N 299.330 1.333 0 50 CDAA O=C(NC[C@H]1CCCOC1)c1cc2nc[nH]c2cc1F 333268712 KAZQDCYQVRQQIE-SECBINFHSA-N 277.299 1.858 0 50 CDAA CCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 464036 MEBJUZYVSOMTIW-UHFFFAOYSA-N 298.408 1.429 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CC[C@@](C)(C(=O)O)C1 237073592 MYUBYAUHUMVUGI-OAHLLOKOSA-N 294.351 1.665 0 50 CDAA Nc1ccc2n[nH]c(I)c2c1 14983625 HORRIHWEYDDYST-UHFFFAOYSA-N 259.050 1.750 0 50 CDAA in-vitro COC(=O)[C@@H]1CC[C@H](C(=O)OC)N1Cc1ccccc1 34161199 VOUOTBJQQLQSCY-BETUJISGSA-N 277.320 1.366 0 50 CDAA in-vitro COc1cncc(CNC(=O)OC(C)(C)C)c1C(=O)O 35270442 MRYHXTSZIJEVMH-UHFFFAOYSA-N 282.296 1.813 0 50 CDAA in-vitro Cn1ncc(CN[C@@H]2CCOc3c(F)cccc32)n1 815136759 NCSKUEGVDKIIGZ-GFCCVEGCSA-N 262.288 1.568 0 50 CDAA Cc1cccn2cc(C(=O)NCCC[C@@H]3C=NNC3=O)cc12 825277781 VJMOEMYDMCAMAV-GFCCVEGCSA-N 298.346 1.490 0 50 CDAA COc1cc(CN2CCC(N3CCCOCC3)CC2)on1 931285318 JYCTXULLAFXOQX-UHFFFAOYSA-N 295.383 1.370 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)O)CO[C@@H]1C2 1857783921 OMPYJPISUIXELP-RWYTXXIDSA-N 257.286 1.143 0 50 CDAA CN1CCN(C(=O)[C@@H]2COc3ccccc3C2)CC1 19337273 MAGUWVWNVDJGJX-ZDUSSCGKSA-N 260.337 1.012 0 50 CDAA CC1(C)Cc2n[nH]cc2CN(CC(=O)NCC(F)F)C1 952894186 XDSRBTDPDOTURH-UHFFFAOYSA-N 286.326 1.175 0 50 CDAA COc1ccc(F)c(C(=O)N2CC(C(=O)O)C2)c1F 1875292578 MOTCAHCDNRQIQA-UHFFFAOYSA-N 271.219 1.130 0 50 CDAA O=C(NCc1cccnc1)c1cc(C2CCOCC2)[nH]n1 1875280285 OLQXASPPIYLNBN-UHFFFAOYSA-N 286.335 1.629 0 50 CDAA CO[C@@H](CS(=O)(=O)Nc1cc(O)ccc1F)C1CC1 1875293673 YVXBCVUKRRJPDK-LBPRGKRZSA-N 289.328 1.698 0 50 CDAA Cc1cc(=NCCCO)[nH]c(N(C)c2ccccc2)n1 1875273156 BWHWEHNLCRHPBG-UHFFFAOYSA-N 272.352 1.769 0 50 CDAA C=CC(=O)N1CCC(C(=O)NC2(C)CC=CC2)CC1 1875365891 CHLZRVKUDUQLAA-UHFFFAOYSA-N 262.353 1.636 0 50 CDAA COc1cnc([C@@H]2CCCN2C(=O)C2CSC2)nc1O 889785298 DJIMPUMETGJUQZ-VIFPVBQESA-N 295.364 1.217 0 50 CDAA CCc1cc(NCCS(C)(=O)=O)nc(CC)n1 891940833 VJMIVVOPNIZOEA-UHFFFAOYSA-N 257.359 1.058 0 50 CDAA CNc1ccc(NC(=O)[C@H]2NCCOc3ccccc32)cn1 1775961328 RJLQRDPXWBPVNW-HNNXBMFYSA-N 298.346 1.785 0 50 CDAA O=C1C[C@H](C(=O)N2CC[C@@H](F)C2)Oc2ccccc21 1775998853 JKMVOGFNUKPJRA-NOZJJQNGSA-N 263.268 1.591 0 50 CDAA COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1CN 237105334 ATQPOLKQFUWVST-GFCCVEGCSA-N 278.352 1.332 0 50 CDAA CN1CCC(N(C)Cc2ccc3c(c2)OCO3)CC1 35334644 ZUCOJIJCKVVZRQ-UHFFFAOYSA-N 262.353 1.941 0 50 CDAA Cc1c(F)cccc1C(=O)N[C@@]1(C(=O)O)CCOC1 263268012 VQTLOGAMEWDQHK-ZDUSSCGKSA-N 267.256 1.108 0 50 CDAA Cc1scc(C(=O)N2CCOC[C@H]2CC(=O)O)c1C 263547023 UNQBSOSSDDCYQU-SNVBAGLBSA-N 283.349 1.681 0 50 CDAA CO[C@H](C)CN1CCC[C@H](Cc2noc(C)n2)C1 182126844 OTPPTLOLDXYZLM-ZYHUDNBSSA-N 253.346 1.667 0 50 CDAA N=C(O)C1(NC(=O)c2occc2Br)CC1 331417487 ANGGTOWELJRXKD-UHFFFAOYSA-N 273.086 1.840 0 50 CDAA N[C@@H]1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)C1 335591178 NZKWLKMHZRSLSC-LLVKDONJSA-N 287.285 1.948 0 50 CDAA O=C(CCc1nc(O)n[nH]1)N1CCCc2ccccc2C1 2100473688 VGSCSIPEAGAMEK-UHFFFAOYSA-N 286.335 1.418 0 50 CDAA CC(C)(Cc1cnn[nH]1)C(=O)Nc1nccs1 2325779077 FLYLUBGOQUUQSG-UHFFFAOYSA-N 251.315 1.469 0 50 CDAA C[C@H]1CCS[C@H]1C(=O)N(CC(=O)O)Cc1ccco1 2325784492 NAXRFKCIYMYZFF-JOYOIKCWSA-N 283.349 1.834 0 50 CDAA NC(=O)c1ccc(F)c(C(=O)N2CC[C@H]3CCC[C@@H]32)c1 2325784959 WCGSSWHTYBOLIN-RNCFNFMXSA-N 276.311 1.939 0 50 CDAA N[C@@H]1[C@H]2CC[C@@H]1C[C@H](c1nc(Cc3ccno3)no1)C2 2325791923 JDZAAFSGHKAUOY-WEPVZDJVSA-N 274.324 1.879 0 50 CDAA O=C(Cc1nn[nH]n1)N[C@H]1CC[C@H]1c1ccc(F)cc1F 2325807937 KVCXDTKIPYFDFE-ONGXEEELSA-N 293.277 1.083 0 50 CDAA CCOC(=O)CCc1nn(CC)c(=O)c2ccccc12 295529 ZLONUWFODDPVIT-UHFFFAOYSA-N 274.320 1.912 0 50 CDAA CCC(=O)NC(=S)Nc1ccc(C(N)=O)cc1 358857 QONHUBTWLRAEJM-UHFFFAOYSA-N 251.311 1.009 0 50 CDAA CNC(=O)CSc1nnc(-c2ccc(F)cc2)n1C 471685 LUBCSLOWYZTKIS-UHFFFAOYSA-N 280.328 1.459 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)CCc2ccnn2C)CC1 2356161292 ONHLHJBKVKXTTA-AULYBMBSSA-N 265.357 1.427 0 50 CDAA CCn1ccc(CNC(=O)c2ccc3c(c2)ncn3C)n1 412478968 ZCXGZJQVMQJGSX-UHFFFAOYSA-N 283.335 1.720 0 50 CDAA CCNC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 9197461 AMYDTLMNLQEYOK-NSHDSACASA-N 289.335 1.134 0 50 CDAA CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)[C@@H]1CCNC1 247448140 YRDHOFBTDRPKKO-ADEWGFFLSA-N 280.318 1.889 0 50 CDAA COC(=O)CCCS(=O)(=O)N1CCS[C@@H](C)[C@@H]1C 134778154 WRVPFBSDZSDSGG-UWVGGRQHSA-N 295.426 1.095 0 50 CDAA COCc1ccccc1CS(=O)(=O)N[C@@H]1CCCNC1 420408058 VMNDPWAKBXYYFY-CQSZACIVSA-N 298.408 1.004 0 50 CDAA O=c1[nH]nc([C@H](O)c2ccccc2)n1Cc1ccco1 65493698 AMMIXDYMFIUUNJ-GFCCVEGCSA-N 271.276 1.294 0 50 CDAA COC(=O)N1CC(NC(=O)N(C)c2ccc(F)cc2)C1 252535886 HBWPFQXAFPFWCN-UHFFFAOYSA-N 281.287 1.422 0 50 CDAA CO[C@@H]1C[C@H]2C(=O)N([C@@H](C)C(C)(C)C)C(=O)N2C1 252572627 ZOGZJFDQJGVTDR-AEJSXWLSSA-N 254.330 1.473 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H]2CCC[C@H]21 281490932 DXSVFPMTXUTBSQ-KGLIPLIRSA-N 277.368 1.739 0 50 CDAA COC(=O)[C@](C)(CNC(=O)N1CCC1)c1ccccc1F 253416597 XFXODCDXNKHYSE-OAHLLOKOSA-N 294.326 1.672 0 50 CDAA C[C@@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@]2(CCOC2)O1 253431958 IJYCPEHPWZPVCK-YPMHNXCESA-N 291.413 1.242 0 50 CDAA COc1cc2c(cc1CN1CCOC[C@H](O)C1)CCC2 77407991 BZYMCLVKBVDRLC-OAHLLOKOSA-N 277.364 1.377 0 50 CDAA COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1C 258683192 LBPVYOABHKVSNN-MNOVXSKESA-N 263.293 1.341 0 50 CDAA Cc1csc([C@@H](C)NC(=O)Cc2cnccn2)n1 216198928 CVPXODQDAQZNEA-SECBINFHSA-N 262.338 1.661 0 50 CDAA CN(Cc1cnc(N)nc1)Cc1cn(-c2ccccc2)nn1 72131024 JQWGMJGIBMEFLN-UHFFFAOYSA-N 295.350 1.272 0 50 CDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC1CCOCC1 219141212 YFHICYVKVYYTAM-CABCVRRESA-N 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274.320 1.138 0 50 CDAA CN(C)C/C=C/C(=O)N(C)C1CC(c2cccnc2)C1 1875377302 XHFGPVRHCWSULH-FNORWQNLSA-N 273.380 1.904 0 50 CDAA Cc1nc[nH]c1C(=O)NC[C@@H]1Cc2ccccc2CN1 877338634 JHYUDHFUTDQESW-ZDUSSCGKSA-N 270.336 1.162 0 50 CDAA C[C@@]1(C2CC2)COCCN1C(=O)Cc1cncc(O)c1 890587719 CPCMRSPEEYPHHX-HNNXBMFYSA-N 276.336 1.357 0 50 CDAA O=C1NCc2ccc(N[C@H]3CCCS(=O)(=O)C3)cc2N1 1776003305 IMULDLASHJCJOR-NSHDSACASA-N 295.364 1.311 0 50 CDAA C[C@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@H](C)O1 20572513 SSKDEIZZNPPARC-UWVGGRQHSA-N 279.365 1.365 0 50 CDAA Cc1cnccc1CNc1nc(N)nc2[nH]ncc12 32565304 ZYSAWHIJDCZBPS-UHFFFAOYSA-N 255.285 1.251 0 50 CDAA COc1ccc(CNC[C@@H]2COCCO2)cc1OC 32578254 MRFIURSVARUYIG-GFCCVEGCSA-N 267.325 1.209 0 50 CDAA O[C@H](CC1CCCC1)CN1CCC(n2cncn2)CC1 191322941 WNQBLIVEHQRGSJ-OAHLLOKOSA-N 278.400 1.856 0 50 CDAA C[C@@H]1C[C@H](C(=O)NC[C@H](CC2CC2)C(=O)O)CCO1 514868000 ZWSNVGLLVMVEPI-JLLWLGSASA-N 269.341 1.419 0 50 CDAA OCC[C@@H]1CSCCN1CCO[C@@H]1CCCCO1 408514851 MWMBXNBOYZLUKN-CHWSQXEVSA-N 275.414 1.329 0 50 CDAA Cc1[nH]c2ccccc2c1C(=O)N1CC[C@](O)(CO)C1 313648805 JJSOIMYTBOEPRB-OAHLLOKOSA-N 274.320 1.046 0 50 CDAA CCCOc1nccnc1N1C[C@H]2C[C@@H](O)CC[C@H]2C1 528035043 UCMWOILCZKPQQC-XQQFMLRXSA-N 277.368 1.863 0 50 CDAA COc1cc(CN(C)Cc2nnn(C(C)(C)C)n2)sn1 1363336681 ZUSBJASXYHBWND-UHFFFAOYSA-N 296.400 1.525 0 50 CDAA CCOc1ccccc1NS(=O)(=O)c1cnn(C)c1 1430101 GVUVRICYYPPGCG-UHFFFAOYSA-N 281.337 1.620 0 50 CDAA Cn1cnc2c[nH]c(=NCCN3CCc4ccccc43)nc21 2100539488 KNCUFGXAKCYYGE-UHFFFAOYSA-N 294.362 1.260 0 50 CDAA O=C(c1ccoc1C1CC1)N1CC[C@@H](c2nc(=O)o[nH]2)C1 2325810182 CIOCJGKCDYOJNA-SECBINFHSA-N 289.291 1.463 0 50 CDAA CN(CC(F)F)C1=CC(=O)N(Cc2ccccc2)C1=O 2325826109 PESBEHKLFPOJPN-UHFFFAOYSA-N 280.274 1.636 0 50 CDAA C[C@H](Cc1ccccc1)NC(=O)CN1CCCC1=O 448469 RVNANBKBWDVOGC-GFCCVEGCSA-N 260.337 1.356 0 50 CDAA O=C(O)C[C@@]1(Br)C(=O)Nc2ccccc21 2032267 LQVBVMKFMOKFJE-JTQLQIEISA-N 270.082 1.704 0 50 CDAA O=C1CCCN1CCCNC(=S)Nc1ccccc1 2296571 IDOKXJMVJNWBTP-UHFFFAOYSA-N 277.393 1.986 0 50 CDAA CCCN1Cc2nnc(Cc3cccnc3)n2[C@H](C)C1=O 2356153620 OASOVCMCJQLMHD-LLVKDONJSA-N 285.351 1.577 0 50 CDAA CCOC(=O)CNC(=O)c1ccc(Br)o1 2740618 HYANURHGEFXRFL-UHFFFAOYSA-N 276.086 1.335 0 50 CDAA O=C(NCc1cccnc1)C(=O)NC1CCCCCC1 2989130 ZQTFEDRSLXXVDU-UHFFFAOYSA-N 275.352 1.537 0 50 CDAA Cc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1 2998559 CCAXNXHUHLLUNP-UHFFFAOYSA-N 278.352 1.865 0 50 CDAA COCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8041332 YLOGTQFETKBLSY-GFCCVEGCSA-N 251.326 1.833 0 50 CDAA O=C(NCCc1nccs1)[C@H]1CCCc2[nH]ncc21 134069786 SCQNNCXSNALUKY-VIFPVBQESA-N 276.365 1.645 0 50 CDAA CCc1nc(C)c(C(=O)NCCN2CCCOC2=O)s1 65488336 OQZZAXVYWRYELH-UHFFFAOYSA-N 297.380 1.586 0 50 CDAA CC(=O)NC1CN(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)C1 248891236 YZPSPCFYIDHBHR-DVLUHMITSA-N 291.395 1.341 0 50 CDAA CC(C)NC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250731607 IVSRXQUZNNTSHP-UTUOFQBUSA-N 268.357 1.229 0 50 CDAA CCCCCC(=O)N[C@H](C(=O)O)c1c(C)n[nH]c1C 67743448 RRBHTZLFFRVTES-LBPRGKRZSA-N 267.329 1.849 0 50 CDAA O=C(NC[C@H]1CCCO1)N[C@@H]1CCN(c2ccccc2)C1 229575615 NRTHJUNQDUUJIR-UKRRQHHQSA-N 289.379 1.744 0 50 CDAA COc1cccc(-n2cnnc2CCn2cccn2)c1 67955146 CCXXLPBCTQBEGP-UHFFFAOYSA-N 269.308 1.715 0 50 CDAA CC(C)(O)c1cn(C2CN(C(=O)[C@H]3CC=CCC3)C2)nn1 375854099 YHPBAAKBWNJNAT-NSHDSACASA-N 290.367 1.245 0 50 CDAA CCOC(=O)N1CCC(N2Cc3ncccc3C2=O)CC1 65381490 IGDSMQSZCUZMGT-UHFFFAOYSA-N 289.335 1.658 0 50 CDAA CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 166230 QBRGIJYBQSSWND-LLVKDONJSA-N 289.328 1.603 0 50 CDAA O=C(O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 37465687 LKYJIOGEHCYIPY-UHFFFAOYSA-N 283.349 1.701 0 50 CDAA COc1ccc(OC)c(C(=O)[C@@H]2COC(=O)C2)c1 608482 UFPRGAOUMCDPCW-QMMMGPOBSA-N 250.250 1.450 0 50 CDAA O=C(c1cc[nH]c1C1CC1)N1CC(F)(F)C[C@H]1CO 376101676 IQTYLHLVDQPMLV-VIFPVBQESA-N 270.279 1.734 0 50 CDAA COC(=O)CCNC(=O)/C=C(\C)c1cccc(F)c1 171954328 MHVYKZLYINFBNZ-CSKARUKUSA-N 265.284 1.908 0 50 CDAA CC[C@H](C)CN1C(=O)[C@@H](Cc2cn(C(C)C)nn2)N=C1O 328609391 DCIKPTCZQKCUAR-CMPLNLGQSA-N 293.371 1.572 0 50 CDAA COCCO[C@H]1CCCN(C(=O)c2ccc(C)cc2O)C1 331230690 HLWFPNOLOGDHHV-ZDUSSCGKSA-N 293.363 1.968 0 50 CDAA CCN1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 35352903 YRUNENILFOFFEC-UHFFFAOYSA-N 298.408 1.330 0 50 CDAA CO[C@]1(C)C[C@H](N(C)C[C@H](O)Cn2cccn2)C1(C)C 174479735 BVTDFVLZXCWEKV-KCQAQPDRSA-N 281.400 1.379 0 50 CDAA COc1cccc(CN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c1 331804919 JGTKQWRHXIYTSR-CYBMUJFWSA-N 287.367 1.573 0 50 CDAA CC(C)C[C@H](O)C(=O)N(C)CCCc1nccn1C 219425639 MCMRBZJMQXOKOQ-LBPRGKRZSA-N 267.373 1.218 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCN1 155048271 AOCZBMSBBUXUGV-LBPRGKRZSA-N 274.368 1.116 0 50 CDAA Cc1noc(-c2ccc(N[C@@H]3C=C[C@H](CO)C3)nc2)n1 365431170 ZQFLCBCLZLBRNC-CMPLNLGQSA-N 272.308 1.789 0 50 CDAA COc1c[nH]c(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc1=O 71748283 LCYXUOHHOFYYIO-BKUVIOGVSA-N 288.347 1.502 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@H]2CC(=O)O)on1 262836411 BSWLEJFZDRUUOR-VIFPVBQESA-N 266.297 1.877 0 50 CDAA Nc1nccnc1C(=O)N1CC2(CC2)c2ccccc21 172576825 VKHZRCDTPUYTAB-UHFFFAOYSA-N 266.304 1.751 0 50 CDAA CCOCCn1ccnc1-c1cc2n(n1)CCCNC2 72463790 PUHKJRFUAUNMSM-UHFFFAOYSA-N 275.356 1.276 0 50 CDAA COc1cccc(OCC(=O)N2CCCC[C@H]2[C@@H](C)N)c1 237277220 CSPGLWLASOVMSQ-DOMZBBRYSA-N 292.379 1.802 0 50 CDAA COc1cccc([C@@H](C)C(=O)N2CCO[C@H](C(=O)O)C2)c1 262184103 XXZMGEOMHUKYBN-MFKMUULPSA-N 293.319 1.111 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)Cc2cc(F)ccc2F)C1 237778119 FWHHUIVBZWQLLU-AWEZNQCLSA-N 283.274 1.831 0 50 CDAA Cn1c(CN2C[C@@H](F)C[C@H]2CO)nc2ccccc21 334302082 ZLVSPVOBGXCNAT-QWRGUYRKSA-N 263.316 1.478 0 50 CDAA O=C(O)c1cccc(CN2CCC[C@@H](c3ncn[nH]3)C2)n1 215005217 JSCOQFSGNQICRM-SNVBAGLBSA-N 287.323 1.278 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CCNC(=O)[C@H]1c1cccs1 374130802 OSEICHTXXBNSSH-CKYFFXLPSA-N 294.376 1.173 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)C12CCC2 493088588 RYKMVEQSDOKZGW-SJCWFQRBSA-N 252.358 1.178 0 50 CDAA CCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)OC)CC1)C(=O)OC 242339399 ZHMUXAKIXUNKSO-SRVKXCTJSA-N 299.367 1.424 0 50 CDAA Cc1cc(C)n2nc(SC[C@H]3CCC(=O)O3)nc2n1 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CC(=O)N[C@@H]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)C1 91254261 FTWHVVVDDNGDES-CYBMUJFWSA-N 299.374 1.547 0 50 CDAA CN(C)c1cnn(CC[C@@H]2CCCCN2C)c(=O)c1 95354844 RIXSLZHQTRGOQQ-LBPRGKRZSA-N 264.373 1.184 0 50 CDAA Cc1cc(C)c2[nH]c(CN3CC[C@@H](O)C3)cc(=O)c2c1 91657103 UQQJDSULXFCYAD-CYBMUJFWSA-N 272.348 1.712 0 50 CDAA Cc1ccc(CC(=O)NC[C@@H]2CCCOC2)cc1O 180320822 XPXWTJDLXLTBOK-ZDUSSCGKSA-N 263.337 1.786 0 50 CDAA CCn1nc(CC(N)=O)nc1CSc1ccccn1 91381439 IBMCLHFPKVHUCK-UHFFFAOYSA-N 277.353 1.013 0 50 CDAA COCc1cc(C(=O)N2CC[C@H](N)C2)ccc1F 237190194 XCVIOUIMIIKUTQ-NSHDSACASA-N 252.289 1.145 0 50 CDAA Cc1cc(C)c2[nH]c(CN3CC[C@@H](N)C3)cc(=O)c2c1 91289302 QYFXHAVXXGBTON-GFCCVEGCSA-N 271.364 1.678 0 50 CDAA CCc1cnc(N)nc1NCc1noc(C2CCC2)n1 95358222 MWTBMXSFJNLXTR-UHFFFAOYSA-N 274.328 1.884 0 50 CDAA Cc1nonc1OCCNC(=O)Nc1c(C)noc1C 96180678 OYZRIKUYRWFYCW-UHFFFAOYSA-N 281.272 1.183 0 50 CDAA O=C(c1cnn2ncccc12)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F 621898720 ZRTBZRIODUFEMK-SWPVVBRQSA-N 296.252 1.752 0 50 CDAA OC[C@@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@@H]([C@H]%11[C@H]9[C@H]([C@H]85)[C@H]4[C@H]%111)[C@H]2[C@H]([C@@H]63)[C@H]7%10 257355493 AXOZAXWLDZMMJF-BJUABIOASA-N 290.406 1.823 0 50 CDAA C[C@@H](NCc1cccc(COCc2ccco2)c1)C(N)=O 541306871 QXGHCYUXZVDLQJ-GFCCVEGCSA-N 288.347 1.960 0 50 CDAA CNC(=O)CCC(=O)N[C@H](CCN(C)C)c1ccccc1 534647956 BEKUGAAGCFFFRT-CQSZACIVSA-N 291.395 1.322 0 50 CDAA Cc1n[nH]nc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 299801387 XKYVGWPQGKNLSM-CHWSQXEVSA-N 289.383 1.060 0 50 CDAA O[C@@H](c1ccncc1)c1ccc2c(c1)CNCCO2 299792856 GMBFDJPLINYQNX-HNNXBMFYSA-N 256.305 1.645 0 50 CDAA NC(=O)C1(c2ncnn2Cc2ccccc2Cl)CC1 826828716 QTTYHZJLXHSSSO-UHFFFAOYSA-N 276.727 1.497 0 50 CDAA Cc1nc2c([nH]1)CN(C[C@H](O)c1ccccc1)CC2 670440260 HBNSNZWHDQONAG-HNNXBMFYSA-N 257.337 1.810 0 50 CDAA CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@H]2C1 685939754 HXZSYWQLVLBTLQ-SYQHCUMBSA-N 274.364 1.936 0 50 CDAA C=CC(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 1335867600 VCYUGNGZFAWOOX-UHFFFAOYSA-N 295.360 1.764 0 50 CDAA CC(=O)N[C@@H](C)C(=O)Nc1ccnn1C1CCCC1 750810492 GHIDTVUYXXRSEL-VIFPVBQESA-N 264.329 1.461 0 50 CDAA CCc1nccn1CCCNC(=O)C1=C(C)OCCO1 952981050 UJMYPRQEQYWAKF-UHFFFAOYSA-N 279.340 1.230 0 50 CDAA COC(=O)[C@H]1C[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C 72194143 VPZOZPSOJLQFGC-DTWKUNHWSA-N 287.312 1.260 0 50 CDAA in-vitro O=C1Nc2ccc(F)cc2C[C@@H]1C(=O)N[C@@H]1CCSC1 1467754339 UBSDZLDWWVONOP-GHMZBOCLSA-N 294.351 1.558 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 268891279 IRKPZELRABEECM-RYUDHWBXSA-N 277.295 1.694 0 50 CDAA CCOc1cccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 268921715 SYNZUGJTRGNVCA-BIMULSAOSA-N 277.320 1.983 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 269128638 ALXBDXKHJDDIFB-WXHSDQCUSA-N 277.295 1.862 0 50 CDAA C[C@]1(O)CCN(C(=O)c2cc(Cl)ccc2F)C[C@@H]1O 96130906 QHRLGOOZKBKEBM-AAEUAGOBSA-N 287.718 1.437 0 50 CDAA CCOC(=O)C(=O)CC(=O)c1ccc2c(c1)OCCO2 100642246 HCQWFDIMRDCCPS-UHFFFAOYSA-N 278.260 1.163 0 50 CDAA CCC1(C(=O)NCc2nccs2)CCOCC1 272164231 GNSVHNOCQDZDNV-UHFFFAOYSA-N 254.355 1.966 0 50 CDAA CC[C@H](NC(=O)c1ccnn1C(C)C)[C@H](O)C(F)(F)F 270810030 CABGEQPKAULAFF-WPRPVWTQSA-N 293.289 1.896 0 50 CDAA O=C1C[C@H](NC[C@H](c2ccco2)N2CCCC2)CCCN1 630060070 GZHQSVKNUQZXHR-ZIAGYGMSSA-N 291.395 1.675 0 50 CDAA COC(=O)N(Cc1noc(-c2cc(C)[nH]n2)n1)C1CC1 274004967 QWPCHGVLDMKYQO-UHFFFAOYSA-N 277.284 1.499 0 50 CDAA Cc1cc2c(N(C)Cc3nccn3C)nccn2n1 274762540 PDYXCVDQBJNCDZ-UHFFFAOYSA-N 256.313 1.408 0 50 CDAA C[C@]1(NC(=O)c2ncccc2O)CCO[C@H]1C1CC1 275115263 IRGOCFYMOTVYST-JSGCOSHPSA-N 262.309 1.475 0 50 CDAA C[S@](=O)CCNC(=O)c1ccc(-c2ccccc2)[nH]1 169988317 DUFPFTUJJHHGLT-IBGZPJMESA-N 276.361 1.790 0 50 CDAA COC(=O)[C@@H]1CCCN1C(=O)c1cc(C)sn1 278636354 QFQAXRNAMVCPSL-VIFPVBQESA-N 254.311 1.229 0 50 CDAA COc1ccc(/C=C/C(=O)NCc2cc[nH]n2)cc1O 170598695 RRTPGHYZOCAFOH-HWKANZROSA-N 273.292 1.454 0 50 CDAA CCOC(=O)CCCCN1CCOC[C@@H]1c1nc(C)no1 170594520 WLYZHNRFWOIUEX-GFCCVEGCSA-N 297.355 1.485 0 50 CDAA C[C@@H](NC(=O)CNC(=O)CCC1CCCC1)c1ncc[nH]1 170618662 QLYUWXZXANRSBQ-LLVKDONJSA-N 292.383 1.674 0 50 CDAA C[C@@H](CC(=O)NCc1ccc[nH]1)N1CCCCC1=O 170608034 CQQJGDJPOJQHLD-NSHDSACASA-N 263.341 1.422 0 50 CDAA C[C@H](CNC(=O)NC1Cc2ccccc2C1)N(C)C1CC1 186613063 NEQQNEHLBVEWHR-GFCCVEGCSA-N 287.407 1.936 0 50 CDAA CC(=O)c1ccc(N2CCN(CC(C)C)C(=O)[C@@H]2C)nc1 548614150 TWZITXMXTCXBKU-LBPRGKRZSA-N 289.379 1.977 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNCc1cc(C(=O)O)nn1C 635307568 ARAKWZRUOVKCIS-ZWNOBZJWSA-N 281.356 1.269 0 50 CDAA C[C@@H]1O[C@H](C)[C@H](C(=O)N[C@@H]2CCCn3nccc32)[C@H]1C 636370455 ORCNRECXLIKMTC-YCGPCKTQSA-N 277.368 1.894 0 50 CDAA O=C(N[C@@H](C(=O)O)C1CCOCC1)c1ccsc1 668309925 HZGUNUSOHOKTHA-SNVBAGLBSA-N 269.322 1.358 0 50 CDAA O=C(Cn1cc(F)ccc1=O)Nc1ccc(F)cc1F 190749290 GWVBEAXWRJBLNG-UHFFFAOYSA-N 282.221 1.904 0 50 CDAA O=C(C1CC1)[C@H]1CN(C(=O)c2ccc(F)cc2O)CCO1 669911000 AJOULLVCMBGKTO-CYBMUJFWSA-N 293.294 1.351 0 50 CDAA CCc1ccnc(CNC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c1 584824727 MXZVWOSUPRVTGR-CAOSSQGBSA-N 299.374 1.739 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)Cc1cc(C2CC2)no1 663027395 TWRLQZQIRZCYIR-GFCCVEGCSA-N 278.308 1.560 0 50 CDAA Cn1ncc(C2CC2)c1CNC(=O)[C@@H]1NCC12CCCC2 1615555420 FPXKUCAARFUEIF-AWEZNQCLSA-N 288.395 1.446 0 50 CDAA CC1(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)CCCC1 1615709262 NVOTZWIDMJRFAJ-QWRGUYRKSA-N 250.342 1.503 0 50 CDAA NCC[C@H]1CN(C(=O)Cc2cccc(Cl)c2)CCO1 219862759 VKFXPYAMHMAYGQ-ZDUSSCGKSA-N 282.771 1.459 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)c2c(C)ncnc2C)s1 1529179334 AGVFRDIZFIWXEE-MRVPVSSYSA-N 293.352 1.905 0 50 CDAA CC[C@H]1CCCCN1CC(=O)Nc1nccn1C 1529099132 RDJILTWPAOUUBQ-NSHDSACASA-N 250.346 1.623 0 50 CDAA CN(CCN(C)C1CCCC1)c1ncc(F)cn1 1529185105 JUNBFLIVHDYNJH-UHFFFAOYSA-N 252.337 1.926 0 50 CDAA Cc1csc(=O)n1CCN1C[C@@H](C)OC[C@H]1C 225177268 PKCHCEJTHNISHL-MWLCHTKSSA-N 256.371 1.327 0 50 CDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cn[nH]c3)C1)CC2 1704344676 VORIPRDDPYUURT-MRXNPFEDSA-N 297.362 1.628 0 50 CDAA CO[C@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCOC2)C1 331463649 ISAOMSAUBGESJQ-NTZNESFSSA-N 256.346 1.232 0 50 CDAA Cn1ncc(N2[C@H]3CCC[C@H]2CC3)c(Cl)c1=O 334150135 KXPZPDUEQSYFHW-IUCAKERBSA-N 253.733 1.955 0 50 CDAA Nc1ccnc(Cl)c1I 14400937 BYVMKCHHWASQFN-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA in-vitro CC(C)N1C[C@@H](CN(C)Cc2ccon2)CCC1=O 1772813172 XZJFGGINKNONDT-GFCCVEGCSA-N 265.357 1.753 0 50 CDAA Cc1c(-c2cc(C(F)(F)F)n(CCCN)n2)cnn1C 12396003 WVGCBHMGZNCCDL-UHFFFAOYSA-N 287.289 1.960 0 50 CDAA CC(C)(C)NC(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 12138865 MTSHPRGXXATLPV-CMDGGOBGSA-N 290.319 1.794 0 50 CDAA O=C(NCCCN1CCOCC1)c1ccc(F)c(F)c1 16650482 ZIAIQXWQXKWPRX-UHFFFAOYSA-N 284.306 1.417 0 50 CDAA COc1ccc(C(=O)N(C)C[C@@H]2CCCCN2C)o1 19840677 MMYXTTWXVFCTAG-NSHDSACASA-N 266.341 1.845 0 50 CDAA CC(C)(CO)COB(O)c1cccc2ccccc12 169747001 AIQWHURMQAISKJ-UHFFFAOYSA-N 258.126 1.562 0 50 CDAA COC(=O)c1sc(Nc2cccnc2)nc1N 169811213 LEWRYFSLGFWCTO-UHFFFAOYSA-N 250.283 1.651 0 50 CDAA COc1nc(C)cc(C)c1CNC(=O)c1nsnc1C 1857686508 ZHRATSHXDFGXPZ-UHFFFAOYSA-N 292.364 1.797 0 50 CDAA Cc1nnnn1-c1cccc(OC[C@H]2CC3CCN2CC3)c1 1857691743 BPYKMYXRYGYFCZ-OAHLLOKOSA-N 299.378 1.834 0 50 CDAA O=c1c2cccc(Cl)c2ncn1C[C@]1(O)CCCOC1 656699012 GANZZWCGCSMMFW-CQSZACIVSA-N 294.738 1.591 0 50 CDAA C[C@H](O)Cn1ccnc1-c1cc2ccccc2n(C)c1=O 1875240572 BVVRQRJMDBJPLK-NSHDSACASA-N 283.331 1.783 0 50 CDAA CCc1nc(CN2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)n[nH]1 225322842 ITAAVFLBYOXKJY-PWSUYJOCSA-N 299.378 1.735 0 50 CDAA C[C@H]1CCCCN1C(=O)CN[C@H]1CCCn2nccc21 640216413 ACWGSMNAAWCZKN-STQMWFEESA-N 276.384 1.709 0 50 CDAA Cc1noc(C)c1C[C@@H](C)C(=O)NC1(C(=O)O)CCCC1 237469804 ZBTPSDWNOOJPOS-SECBINFHSA-N 294.351 1.984 0 50 CDAA CC(=O)[C@@H]1[C@H](c2ccccc2)n2ncnc2N[C@]1(C)O 238901407 MBLDMKSKLGOJNN-MBNYWOFBSA-N 272.308 1.207 0 50 CDAA CCc1ccc(-c2noc(Cn3ncn(C)c3=O)n2)cc1 153934400 VAAMJDCMBLLFMO-UHFFFAOYSA-N 285.307 1.243 0 50 CDAA COC(OC)[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1 585085744 LWROGRJKWVIFPC-CHWSQXEVSA-N 279.336 1.642 0 50 CDAA Cc1ccncc1CC(=O)N1CC[C@]2(C(=O)O)CCC[C@H]12 910396279 MWYRNWDEHGOWFU-XJKSGUPXSA-N 288.347 1.788 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)NCc1ccccn1 911646671 UTBWWXKZFYHVQM-KRWDZBQOSA-N 297.358 1.507 0 50 CDAA Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cccc(O)n1 819541672 FJJBIDDCDUCVBN-UHFFFAOYSA-N 294.742 1.755 0 50 CDAA CN(CC1(O)CCCC1)S(=O)(=O)Cc1ccccc1 127416280 VPZWMGDABHJQDL-UHFFFAOYSA-N 283.393 1.753 0 50 CDAA O=C(N[C@H]1CCO[C@H]1c1nc[nH]n1)c1ncccc1Cl 952887982 BDAVWESGRREUBS-WCBMZHEXSA-N 293.714 1.113 0 50 CDAA CCc1ncnc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)c1F 952889825 HRRZVNANURLTFR-KWQFWETISA-N 292.318 1.486 0 50 CDAA CS(=O)(=O)NC(=O)c1cccc(Oc2nccs2)c1 1875391050 KIXRNWMBVALPNF-UHFFFAOYSA-N 298.345 1.625 0 50 CDAA CCOC(=O)[C@H]1CC12CCN(C(=O)NC1CC1)CC2 1875298332 XMKUDWPAKCHMCC-LLVKDONJSA-N 266.341 1.524 0 50 CDAA Cc1nc(C2CN(C(=O)NC3CCCC3)C2)no1 1875278247 LFWVUGYUOYBCOL-UHFFFAOYSA-N 250.302 1.429 0 50 CDAA CC(C)C[C@H](C(=O)O)[S@](=O)[C@H](C)c1nncn1C 1875383460 VQNLXGKLGPYAKM-CXNNERTKSA-N 273.358 1.124 0 50 CDAA Cc1c[nH]nc1CNC(=O)[C@@H]1[C@H]2CC[C@@]1(c1ccnn1C)C2 1875396005 SFDDYKHLZLJCHZ-PJODQICGSA-N 299.378 1.436 0 50 CDAA CC(C)C[C@@H]1CN(C)CCN1C(=O)c1ncc[nH]1 886600627 YRLSPGNXVQGXKC-LLVKDONJSA-N 250.346 1.212 0 50 CDAA Cc1cc(-c2nc(C(=O)N3CC[C@@H]3CO)co2)ccn1 889154954 TYUJVKDABWZZPJ-LLVKDONJSA-N 273.292 1.252 0 50 CDAA Cc1ccccc1N1CCN(c2cnc(CO)cn2)CC1 891505536 OADDZLSAQIECFO-UHFFFAOYSA-N 284.363 1.604 0 50 CDAA COc1cnc(C(=O)N2C[C@@H](N)C3(CCC3)C2)c(F)c1 1775962428 KLMHUKPNQPWDSP-LLVKDONJSA-N 279.315 1.183 0 50 CDAA Cc1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)n1 1776002310 ZPXLAMTUXIZLEZ-LBPRGKRZSA-N 287.363 1.521 0 50 CDAA O=c1[nH]c2ccccc2n1CCCN1CCOCC1 20500855 GZLWKZOTGVUAPE-UHFFFAOYSA-N 261.325 1.052 0 50 CDAA O=C(C[C@@H]1C=CCC1)NCC1(CO)CCOCC1 151692718 ULIZDBUVDKJCGG-GFCCVEGCSA-N 253.342 1.248 0 50 CDAA O=C(CC1CCCC1)N1CC[C@H](N2CCNCC2)C1 261584659 HXNDFBHVLMGSRJ-AWEZNQCLSA-N 265.401 1.073 0 50 CDAA O[C@H](CN1CCSC2(CCCCC2)C1)Cn1cccn1 175966480 QQFSIHJFYGKZDN-CQSZACIVSA-N 295.452 1.996 0 50 CDAA COCc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1 188354844 JVRAHFYZRGHSRR-QWHCGFSZSA-N 266.316 1.149 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)[nH]n1 67754566 DHZPUZBPUKUQDD-JTQLQIEISA-N 259.313 1.461 0 50 CDAA COc1ccnc(C(=O)N[C@H](CC2CC2)C(=O)O)c1 683323059 HEDAKLOEBAQVQX-LLVKDONJSA-N 264.281 1.073 0 50 CDAA CN1CCN(C[C@H]2CCCN(Cc3nccs3)C2)CC1 367622493 IFYWRZKSGNZWCX-CQSZACIVSA-N 294.468 1.603 0 50 CDAA C[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@@H]3C1=O 4555091 SUEGUTGUZJAPEV-LHNVCGPYSA-N 299.326 1.614 0 50 CDAA O=C(N[C@@H](c1ccccc1)c1nn[nH]n1)[C@@H]1CC1(F)F 2325750501 BLXOKRLSFZGZIN-IUCAKERBSA-N 279.250 1.061 0 50 CDAA CO[C@@H]1COC[C@H]1NC(=O)C1CC(C)(c2ccccc2)C1 2325796422 PGXHMLUDPNAEBV-QJKCGZJTSA-N 289.375 1.884 0 50 CDAA Cc1nc2ccc(S(=O)(=O)N3CCC3)cc2[nH]1 2325804027 PXMFVQRPZZUCOE-UHFFFAOYSA-N 251.311 1.266 0 50 CDAA C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)[C@@H](C)C(=O)O 132367739 RDNYSDRLVAPBRB-RQJHMYQMSA-N 299.710 1.908 0 50 CDAA O=C(COc1ccccc1)N[C@@H]1CCSC1=O 182429 CHSXDIVSIPLISQ-SNVBAGLBSA-N 251.307 1.214 0 50 CDAA C[C@@H](CC(=O)O)CC(=O)Nc1cccc(C(=O)O)c1 206523 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COC(=O)c1oc(CN2C[C@H](C)OC[C@H]2C)cc1C 247948352 XKRFCJZHWFTYSA-MNOVXSKESA-N 267.325 1.984 0 50 CDAA CC(=O)N1CCC(N2CCN(c3ccccn3)CC2)CC1 5092892 OBZVEWUXHHRHQI-UHFFFAOYSA-N 288.395 1.215 0 50 CDAA CCNC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12386119 JYLBWSWBJPQUHL-ZDUSSCGKSA-N 287.363 1.074 0 50 CDAA Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 16972790 LUFHDRCQRFLCJO-QMMMGPOBSA-N 290.710 1.480 0 50 CDAA Cc1cc(=O)[nH]c2c1c(O)nn2[C@@H]1CCOC(C)(C)C1 17056517 XFNGZQIQBRCVNO-SECBINFHSA-N 277.324 1.869 0 50 CDAA O=C(COc1ccccc1Cl)NCCN1CCOCC1 19854218 AEUZJVARROSDEA-UHFFFAOYSA-N 298.770 1.167 0 50 CDAA Cc1ccc(N2CCC(C(=O)N3CC[C@H](N)C3)CC2)nc1 152242617 HCEAFNNCXQVNNP-AWEZNQCLSA-N 288.395 1.166 0 50 CDAA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cnco1 222994995 XFOLINPJPBFDNR-FRRDWIJNSA-N 287.319 1.182 0 50 CDAA COc1ccc(NC(=O)[C@H]2CC[C@H]3OCCN[C@@H]3C2)cn1 1857712916 WUMYWZGNZKRIEL-CYZMBNFOSA-N 291.351 1.186 0 50 CDAA COc1ncccc1CCNC(=O)c1ccn2nccc2c1 1857711647 BKBPOHNADKBLKG-UHFFFAOYSA-N 296.330 1.710 0 50 CDAA CCCNC(=O)c1cccc(C(=O)N2CC[C@H](N)[C@@H]2C)c1 423687167 WIEKJPZOIKPDOL-FZMZJTMJSA-N 289.379 1.388 0 50 CDAA COCCCNC(=O)C(=O)Nc1ccccc1Cl 4583771 MLFRPAHUBYMVGI-UHFFFAOYSA-N 270.716 1.431 0 50 CDAA CC[C@@H](O)CN(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328641161 QKCRCKHKJLMPRO-XHSDSOJGSA-N 277.412 1.777 0 50 CDAA CCNc1ncc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cn1 248273898 XKCROBOWTMUMHB-OLZOCXBDSA-N 290.367 1.451 0 50 CDAA C[C@@H]1CN(C(=O)N(C)C2CCCC2)C[C@]2(CCOC2)O1 253397940 HFCJQDCHJDMKDN-DOMZBBRYSA-N 282.384 1.861 0 50 CDAA OC[C@@H]1CN(Cc2cncc(F)c2)c2ccccc2O1 370561703 ONURCYHNBSCAET-ZDUSSCGKSA-N 274.295 1.981 0 50 CDAA C[C@H]1C(=O)NCCN1CCc1nc(-c2ccccc2)no1 157803353 FAGJJQRCTJPJBV-NSHDSACASA-N 286.335 1.099 0 50 CDAA O=C(c1nnc(-c2ccc(F)cn2)o1)N1CCCC1 818459770 NRWDNKPUOAJLTN-UHFFFAOYSA-N 262.244 1.507 0 50 CDAA NC(=O)CC1CN(C(=O)[C@]2(c3ccccc3)CCCO2)C1 935761951 BPYXSNQMNIJZRC-MRXNPFEDSA-N 288.347 1.026 0 50 CDAA C=CC(=O)N1CCC(c2ncc(C(=O)O)cn2)CC1 1857786847 GNPGULPOZNRVND-UHFFFAOYSA-N 261.281 1.067 0 50 CDAA CCn1nccc1CNC(=O)C(F)(F)c1nccs1 856481559 XFZFIKSBLLNESM-UHFFFAOYSA-N 286.307 1.768 0 50 CDAA CCc1nnc(N(C)Cc2ncccn2)nc1CC 1144217920 MZSYFNYDCMRXIG-UHFFFAOYSA-N 258.329 1.423 0 50 CDAA CN[C@H]1CCCN(C[C@@H](O)COc2ccccc2)C1 864097324 STKOQDUZSWJHSA-UONOGXRCSA-N 264.369 1.110 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)c(C)o1 864379242 LVVYGJDKWSSZFC-SNVBAGLBSA-N 274.324 1.831 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)Cc1ccc(Cl)cc1 129375331 YXIAPKMJUJIRGB-LBPRGKRZSA-N 297.738 1.585 0 50 CDAA CC1(C)CC(C(=O)NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)C1 952887785 DPAHEPUICCTWEE-ONGXEEELSA-N 278.356 1.435 0 50 CDAA Cc1nscc1CNc1c(C)c(C)nn1CCO 1875284983 XWRZVBLEGHNHAH-UHFFFAOYSA-N 266.370 1.869 0 50 CDAA Nc1ccc(S(N)(=O)=O)cc1[C@]12CCC[C@@H]1C2 1875304121 AOXZBRQRSDNXHN-PELKAZGASA-N 252.339 1.358 0 50 CDAA C[C@H]1CCN(c2nc(N)nc(N)n2)[C@H]1c1ccccc1 884642248 FBQFVEPHJQFBRY-GXSJLCMTSA-N 270.340 1.624 0 50 CDAA Cc1cccnc1C(=O)NC[C@H]1CCO[C@@H]1c1cn[nH]c1 886086658 YEHBQARAMYVCLW-RISCZKNCSA-N 286.335 1.621 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)ccn1 887294532 CKIXCHHTALHZQS-RQJABVFESA-N 286.331 1.529 0 50 CDAA CCOc1cccc(C2=C3[C@H](C=CS3(=O)=O)ON2)c1 888102195 OPBFYZRPPDINKX-NSHDSACASA-N 279.317 1.599 0 50 CDAA Cc1cnn(-c2cccc(N3CCC[C@H](O)CC3)n2)c1 1775986232 VBXRGGIGSAAOJO-ZDUSSCGKSA-N 272.352 1.927 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NCCc1nc[nH]c1Br 1775987295 QOWBVEOFSZCPBV-RQJHMYQMSA-N 272.146 1.487 0 50 CDAA CC(C)(O)Cn1ncc2c(O)ccc(F)c2c1=O 899358226 SSCGRBRMWGEEDW-UHFFFAOYSA-N 252.245 1.012 0 50 CDAA Cc1ccc([C@@H](CC(=O)NC2CCOCC2)C(=O)O)cc1 899799273 PQVDLXHIKNJJBJ-CQSZACIVSA-N 291.347 1.849 0 50 CDAA O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc[nH]c(=O)c1 152959785 UQDACUTVNZQHQD-UHFFFAOYSA-N 271.232 1.062 0 50 CDAA COc1ccc(O)c(C(=O)N[C@H]2CCCOCC2)c1 180179288 YTBOZAYWYLUPIR-JTQLQIEISA-N 265.309 1.700 0 50 CDAA CCn1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)n1 566280350 FMHMRQQBCVYQRO-NSHDSACASA-N 274.328 1.389 0 50 CDAA CC(C)[C@@H](O)CN1CCCN(c2cccnn2)CC1 292774734 YRHIKDWWWDBONI-ZDUSSCGKSA-N 264.373 1.006 0 50 CDAA CC(C)c1nnc(CN[C@](C)(C(N)=O)C(C)C)s1 297600831 JWUYIKJBUIAEGP-LBPRGKRZSA-N 270.402 1.651 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2nc(C3CCCC3)no2)C1 344845492 DAHBWUPGHTUIED-NWDGAFQWSA-N 281.356 1.309 0 50 CDAA Cc1cnc(CN2CCC[C@@H](c3n[nH]c(C)n3)C2)cn1 328650991 JMHQVUOCIYXYQW-GFCCVEGCSA-N 272.356 1.591 0 50 CDAA Cc1ccc(O)cc1C(=O)N[C@@H]1CCC[C@H]1N(C)C 584885092 FSPBJNZFNCJBNY-ZIAGYGMSSA-N 262.353 1.913 0 50 CDAA COc1cc2c(cc1-c1ncc3c(ncn3C)n1)OCO2 2100478104 RQXLYQSXWPLQBV-UHFFFAOYSA-N 284.275 1.768 0 50 CDAA Cc1cnc(CCNC(=O)N2CC[C@H](CCN)C2)s1 2325766294 VEPSHOHLZCJRPP-NSHDSACASA-N 282.413 1.374 0 50 CDAA Cn1ncc2c1C[C@@H](C(=O)Nc1ccc3cc[nH]c3n1)CN2 2325795899 DICPPCVFTCDTTR-SNVBAGLBSA-N 296.334 1.519 0 50 CDAA CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1 466257 IHBYZPAXTCJPJK-UHFFFAOYSA-N 296.392 1.366 0 50 CDAA COC(=O)c1ccc(COC(=O)c2cnccn2)cc1 472102 RBDCPQNLDKLXEI-UHFFFAOYSA-N 272.260 1.620 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1 555713 WVLWGNBPDRYOMY-NSHDSACASA-N 261.350 1.225 0 50 CDAA Cc1ccc(CNC(=O)C(=O)NCCC(C)C)cc1 2276452 HDGBPBKZUJUYMI-UHFFFAOYSA-N 262.353 1.774 0 50 CDAA CCOC(=O)C(=O)Nc1nnc(C(C)(C)C)s1 2747701 BBWAFMNPTXYVLQ-UHFFFAOYSA-N 257.315 1.337 0 50 CDAA O=C(Cc1ccccc1)NCC(=O)N1CCCCC1 2868501 POBCFEMFIJDWID-UHFFFAOYSA-N 260.337 1.358 0 50 CDAA CCNC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 2881872 KFJLPDJWEVYELI-UHFFFAOYSA-N 284.381 1.142 0 50 CDAA CCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 2943614 ALKVDACVUWGLTI-LBPRGKRZSA-N 260.337 1.874 0 50 CDAA CCCSC(=S)N[C@H]1CCS(=O)(=O)C1 4613211 JJBRKDPOXLAAGG-ZETCQYMHSA-N 253.414 1.191 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1c1nccs1)[C@H]1C=C[C@H]2CC1 100898354 AMVFGSQRSDNNNF-XKNYDFJKSA-N 260.318 1.845 0 50 CDAA CCc1nc(N)nc(N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)c1C 101900942 IZKHIWHQYRZMDV-IMRBUKKESA-N 289.427 1.706 0 50 CDAA O=C(Nc1cc(Cl)ccc1F)C(=O)NC1(CO)CC1 225687506 XHHSVJYAOMCKGL-UHFFFAOYSA-N 286.690 1.059 0 50 CDAA Cc1nc(N(C)C)nc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)c1C 102684025 QLXZULWMDJTOTQ-ITGUQSILSA-N 276.384 1.652 0 50 CDAA CCc1nc(N)nc(N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)c1C 102806730 XKNOCTWQEWSSQT-CNDDSTCGSA-N 275.400 1.173 0 50 CDAA Cc1cccc([C@@H](C(=O)NCCc2c[nH]cn2)N(C)C)c1 65396381 ODKHOBUVGDPJBQ-HNNXBMFYSA-N 286.379 1.680 0 50 CDAA NC(=O)c1ccc(C(=O)Nc2cnc3ccccc3c2)nc1 345059121 NKRAOIXHDNWAKN-UHFFFAOYSA-N 292.298 1.981 0 50 CDAA CCc1nc(CNC(=O)N2CC[C@@H](CO)C2)cs1 304283790 KOKHGLPCQWTPMQ-SECBINFHSA-N 269.370 1.229 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](N2CC[C@H](C(=O)O)C2)C1 114337683 SZEOIRVQVOFBBA-WDEREUQCSA-N 284.356 1.402 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C)Cn1cccn1 122862935 PXMLEDWQFHFYKW-BFHYXJOUSA-N 251.374 1.922 0 50 CDAA O=C(Nc1ccc(Br)cc1)C1=NCCCN1 170621785 WBUGHXXYUJNFON-UHFFFAOYSA-N 282.141 1.779 0 50 CDAA CC(C)c1noc(-c2cccn3c(CN)nnc23)n1 409444237 YQUDYRQJHJSSGN-UHFFFAOYSA-N 258.285 1.361 0 50 CDAA CN1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)C1 67675162 UXZLAYJKDYAFEO-JTQLQIEISA-N 295.770 1.346 0 50 CDAA COC(=O)c1cnc(CSc2n[nH]c(C3CC3)n2)cn1 600515431 SIQOOZMRJSHKTN-UHFFFAOYSA-N 291.336 1.551 0 50 CDAA CC(=O)N1CCC(NCc2ccc(F)cc2)CC1 32916993 FDCNRTNMLPCSNN-UHFFFAOYSA-N 250.317 1.926 0 50 CDAA O=C(O)Cc1c(C(=O)O)nnn1-c1ccc(Cl)cc1 168520 OPKIWJQMZPREEO-UHFFFAOYSA-N 281.655 1.246 0 50 CDAA CC(C)(C)Nc1nc(Cl)nc(N2CCOCC2)n1 185470 IIAZDQIGBPKRNP-UHFFFAOYSA-N 271.752 1.572 0 50 CDAA biogenic CC1=NN(C(=O)Cn2ccc(C)n2)[C@](O)(C(F)(F)F)C1 1012138 JNFLBNRRHFSPBR-SNVBAGLBSA-N 290.245 1.051 0 50 CDAA Cc1ccc(CNC(=O)N(C)[C@@H](C)CO)cc1F 305750902 YUUZXWAMZMTPQE-JTQLQIEISA-N 254.305 1.656 0 50 CDAA CCS(=O)(=O)c1cccc(N[C@H](C)COC)c1 123781557 MHJUYCKGHAANOT-SNVBAGLBSA-N 257.355 1.927 0 50 CDAA Cc1cc(N[C@@H]2CCCCNC2=O)n2nc(C)cc2n1 72440475 UWWDEQCPECOEFW-LLVKDONJSA-N 273.340 1.427 0 50 CDAA Cc1ccc2c(c1)cc(CN1C[C@H](O)[C@@H](N(C)C)C1)n2C 215606124 JFVDVEFISVNSII-IRXDYDNUSA-N 287.407 1.593 0 50 CDAA Cc1ncc2n1CC[C@@H](C(=O)N1CCC[C@H]1c1cc[nH]n1)C2 329603988 YRQYQNBBXWYTCM-DOMZBBRYSA-N 299.378 1.841 0 50 CDAA CC(C)c1nccc(CN2CCC[C@@]3(CNC(=O)O3)C2)n1 72433404 WEJUYNNXYFKNNE-OAHLLOKOSA-N 290.367 1.674 0 50 CDAA C[C@@H](NC(=O)c1ncc[nH]1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216451322 LMEPOKGOJHSTBN-AALXLURJSA-N 289.379 1.859 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1C[C@@H]1C(=O)O 331488954 IYUZUCYVRMHEDQ-WYUUTHIRSA-N 269.341 1.419 0 50 CDAA CN1C(=O)CCc2cc(NC(=O)C3(C(=O)O)CC3)ccc21 154865362 QPKCSIZHXINXST-UHFFFAOYSA-N 288.303 1.399 0 50 CDAA CC(C)(CNC(=O)[C@H]1C[C@@H]1C(=O)O)c1cccs1 126081384 KUQZZQWQGOQMKL-IUCAKERBSA-N 267.350 1.863 0 50 CDAA COc1cccc(CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1 331804952 JGTKQWRHXIYTSR-ZDUSSCGKSA-N 287.367 1.573 0 50 CDAA CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCCCC(=O)N(C)C)C1(C)C 332067035 SRHHIVHVXCWIPB-WCFLWFBJSA-N 299.415 1.214 0 50 CDAA C[C@H](O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 32129660 ZAIJVDOCOKXULA-LURJTMIESA-N 284.164 1.653 0 50 CDAA O[C@H]1CN(Cc2cccc3[nH]ccc23)C[C@@H]1N1CCCC1 216054395 XRGOULKRVHNKRQ-IRXDYDNUSA-N 285.391 1.809 0 50 CDAA Cc1ccccc1-c1ncc(CN2CCOC[C@@H]2CO)cn1 215195396 PJFQELFCIHBNPU-HNNXBMFYSA-N 299.374 1.645 0 50 CDAA CC(C)OCC(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 158014557 DAIMFSBZQZQNNR-SNVBAGLBSA-N 283.246 1.277 0 50 CDAA Cn1ncnc1CN1CC[C@]2(CCc3ccccc3O2)C1 377645095 GFOUXZYGGXYPSZ-MRXNPFEDSA-N 284.363 1.785 0 50 CDAA Cc1cc(C)c2c(c1)CN(C(=O)[C@@]1(O)CCOC1)CC2 334600246 VJGFXSLIVOVIDF-MRXNPFEDSA-N 275.348 1.340 0 50 CDAA C[C@@H](CCO)CNc1cc(C(=O)O)c(Cl)cn1 129728542 JZWUEJCQUHMRKS-ZETCQYMHSA-N 258.705 1.864 0 50 CDAA Cc1cnc(C)c(N2CCC(N(C)c3cccnn3)CC2)n1 242287998 YKFMQVFNWVPRNJ-UHFFFAOYSA-N 298.394 1.989 0 50 CDAA CN(C)c1noc([C@H]2CCCN2C(=O)C2CCCC2)n1 242324311 YZZHPDNEQVCNQT-LLVKDONJSA-N 278.356 1.989 0 50 CDAA COCC1(CNC(=O)Cn2nc(C)cc2N)CCCC1 223555041 UWOGUDITUACZET-UHFFFAOYSA-N 280.372 1.097 0 50 CDAA CCc1ccc(CNC2CC(N(CC)CC(=O)O)C2)cn1 263491215 INRNOWDHEJFOQC-UHFFFAOYSA-N 291.395 1.671 0 50 CDAA O=C(CN1CC[C@@H](c2ccccc2)NC1=O)N1CC(F)C1 613445044 GCDVBZOHIINSIB-ZDUSSCGKSA-N 291.326 1.323 0 50 CDAA O=C(O)CCNc1nc(-c2cccnc2)nc2c1CCC2 263521022 QYWCTTQCZGXQCF-UHFFFAOYSA-N 284.319 1.914 0 50 CDAA COCCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)N(C)C 426529267 KHXFDYGUWOSJEX-ZDUSSCGKSA-N 294.395 1.620 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1nccs1 195396750 SJJBWGGLFGERET-XSOQRLTHSA-N 272.329 1.701 0 50 CDAA Cn1ncnc1CCNC(=O)c1ccccc1OC(F)F 87450586 PIZWBIUYQCEKTH-UHFFFAOYSA-N 296.277 1.389 0 50 CDAA C[C@@H](O)CSc1nnc(CCN)n1-c1ccc(F)cc1 426368306 MJMCKLMHFIXHPI-SECBINFHSA-N 296.371 1.381 0 50 CDAA O=C(NCCc1c[nH]cn1)c1ccc(-c2cc[nH]n2)cc1 82147216 LHBGYIPTHZLZDT-UHFFFAOYSA-N 281.319 1.772 0 50 CDAA COCCC[C@@H]1CCCN(C(=O)c2cc(CO)ccn2)C1 223541651 IKEKYZIIAZJKGJ-ZDUSSCGKSA-N 292.379 1.853 0 50 CDAA CSCC[C@H](O)C(=O)N(C)Cc1cc(C2CC2)on1 223379545 OWCALWNMUPNZFQ-NSHDSACASA-N 284.381 1.624 0 50 CDAA Cc1cnc(C)c(N2CCN(C(=O)c3ccccn3)CC2)n1 184049799 GBCRYKRCCRUWFT-UHFFFAOYSA-N 297.362 1.451 0 50 CDAA CCc1nnc(C)cc1C(=O)NC(C)(C)CCN 142786686 YQZQDYSPPHKRCM-UHFFFAOYSA-N 250.346 1.205 0 50 CDAA Cc1nc2c(C(=O)N3CCC4(CN(C)C4)C3)cccc2o1 614034285 IVNWIBJIOYKHLW-UHFFFAOYSA-N 285.347 1.914 0 50 CDAA CCc1c(C)nn(CCNC(=O)[C@H](C)n2cccn2)c1C 426494683 UQFDMOBOTACISF-ZDUSSCGKSA-N 289.383 1.636 0 50 CDAA Cc1c[nH]nc1CN1CCC(CN2CCCCC2=O)CC1 290477751 QPOOJKUDKJSTEC-UHFFFAOYSA-N 290.411 1.943 0 50 CDAA CCO[C@H](C(=O)N1CC[C@@H](C(=O)O)C1)c1ccccc1 178271334 AZFBLVRYLXOIDD-OLZOCXBDSA-N 277.320 1.697 0 50 CDAA C=CC(=O)NCCC(=O)N[C@@H]1CCOc2ccccc21 178438861 IWSZWKMZFAFPND-GFCCVEGCSA-N 274.320 1.319 0 50 CDAA C[C@@H]1CN(Cc2ncc[nH]2)CC[C@@]1(O)C1CCOCC1 91434855 DCYNKRYLYBYDJH-DOMZBBRYSA-N 279.384 1.409 0 50 CDAA O=C(O)c1cccc(CN2CC[C@@](O)(c3ccccc3)C2)n1 97259231 FMXOYLOKUHXLAA-KRWDZBQOSA-N 298.342 1.873 0 50 CDAA O=C(NCc1cccc(Cl)c1)c1ccc2nnnn2c1 97759465 LZPCZMMJSLRPFS-UHFFFAOYSA-N 287.710 1.708 0 50 CDAA COc1ccnc(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)n1 95527053 PBPODWLJIWBRBA-ZIAGYGMSSA-N 288.395 1.796 0 50 CDAA O=c1c2cccnc2ccn1Cc1noc([C@@H]2CCCO2)n1 95384342 HZMXTZXUUPFKRW-LBPRGKRZSA-N 298.302 1.679 0 50 CDAA Cc1csc([C@H](C)NC(=O)c2cncn2C)n1 334852716 LLFZKKVLLCQDGD-QMMMGPOBSA-N 250.327 1.676 0 50 CDAA Cc1ccc([C@H]2CN(C3CCOCC3)C[C@@H]2N)o1 91636286 CURWNNDVKNPJAQ-STQMWFEESA-N 250.342 1.494 0 50 CDAA Cc1nccn1CCN(C)C(=O)[C@H]1COc2ccccc2C1 95507055 XJRXONDMMAJBAO-OAHLLOKOSA-N 299.374 1.901 0 50 CDAA CCc1nccn1Cc1nc(-c2cccnn2)no1 95497487 WRMDKXMVQYKYCR-UHFFFAOYSA-N 256.269 1.334 0 50 CDAA CC(C)[C@@H]1CN(C(=O)c2ccc(CO)o2)C[C@H]1C(=O)O 91440992 ANLRULFLXDQEON-WDEREUQCSA-N 281.308 1.201 0 50 CDAA CNC(=O)C[C@H](C)N(C)Cc1cc(OC)ccn1 244852884 VBCOOGOAIBOXRL-JTQLQIEISA-N 251.330 1.047 0 50 CDAA C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ncn(C)n1 297088618 OQHKQWIISXYBJR-GZMMTYOYSA-N 273.296 1.459 0 50 CDAA O=C(O)CN(C(=O)c1cccc2c1OCO2)C1CC1 299746446 XKYPZGQUXSQVEP-UHFFFAOYSA-N 263.249 1.105 0 50 CDAA C[C@H](CN(C)CCO)NC1(Cc2ccccc2)CC1 534648272 DXHPULMGMNWFOX-CQSZACIVSA-N 262.397 1.664 0 50 CDAA CSCC[C@H](NC(=O)c1cc[nH]c1C)C(=O)O 534590957 JOMXUUVAEWPXRX-VIFPVBQESA-N 256.327 1.259 0 50 CDAA Cc1ccc(C(N)=O)c(NCC2(N(C)C)CCCC2)n1 534661841 JTXDUFFRMNQCSI-UHFFFAOYSA-N 276.384 1.775 0 50 CDAA CC[C@@H](NC(=O)c1ncoc1C)[C@@H](O)C(F)(F)F 270871089 NEDAJWPFKKTUSC-HTRCEHHLSA-N 266.219 1.415 0 50 CDAA CCOCCC(=O)N[C@H](C)CN1CCc2ccccc2C1 299768514 JWLMAYXXKPSLQI-CQSZACIVSA-N 290.407 1.976 0 50 CDAA COc1cccc(OC2CN(CCn3cccn3)C2)c1 299772130 YPCRUIAUTQRMCQ-UHFFFAOYSA-N 273.336 1.655 0 50 CDAA CC(C)c1ccc(C(=O)N[C@@H](C)c2nncn2C)c(O)n1 828166446 IOKDRZYPKUVCCI-VIFPVBQESA-N 289.339 1.530 0 50 CDAA O=C(Cc1cccc(F)c1F)N1CCN2C(=O)OC[C@H]2C1 493567890 UXIRXLVZWYFMDT-SNVBAGLBSA-N 296.273 1.170 0 50 CDAA CC(C)c1nc(CNC(=O)c2cc(C(F)F)[nH]n2)no1 670438277 BCDMLIIMCAKAIB-UHFFFAOYSA-N 285.254 1.784 0 50 CDAA CC1(O)CC(c2nc([C@H]3CN4CCC[C@H]4CO3)no2)C1 685942134 DWXFDZKNZLYMPN-DUEVMTECSA-N 279.340 1.234 0 50 CDAA CC[C@@H]1CN2CCC[C@H]2CN1CC(=O)N(CC)CC 239761683 CKENJVGWRLIJJW-KGLIPLIRSA-N 267.417 1.413 0 50 CDAA NC[C@@H]1CC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)NC1 757209911 GPSDDLHWXJHUCF-UKKRHICBSA-N 265.323 1.244 0 50 CDAA C[C@@H]1CC[C@H](N)[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)N1 757216091 XPGJYWYAEPVISB-NMUGVGKYSA-N 265.323 1.385 0 50 CDAA CCC[C@H](NC(=O)Cc1c[nH]c2cnccc12)c1nn[nH]n1 1343939196 NXGRJPKKRGWPKN-NSHDSACASA-N 299.338 1.276 0 50 CDAA O=C(NCCC(=O)N1CCCCC1)c1cccc(O)c1F 1362289462 DSJIGTJQFYUYFQ-UHFFFAOYSA-N 294.326 1.664 0 50 CDAA Cc1ccncc1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1 952975711 STESSQQFJDHUHG-UHFFFAOYSA-N 296.290 1.948 0 50 CDAA CC(C)[C@@H]1C=CCN1C(=O)c1nc(N)nc2c1CCCC2 952991220 ZYYQWYVLYURORK-ZDUSSCGKSA-N 286.379 1.974 0 50 CDAA O=C(NS(=O)(=O)c1ccsc1)[C@@H]1CC[C@H]2C[C@@H]2C1 408503221 SBBWTIZCYMOGSF-IVZWLZJFSA-N 285.390 1.989 0 50 CDAA Cn1nncc1CNc1ccccc1CN1CCCC1=O 1461132608 RGJIGWDQBFHELU-UHFFFAOYSA-N 285.351 1.550 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2ncoc2C2CC2)C[C@@H]1C1CC1 1565512173 CRCHMJRHZUGVCO-MNOVXSKESA-N 290.319 1.735 0 50 CDAA Cn1ncc2c(N3CCOC4(CCCC4)C3)ncnc21 268791557 AJVHVWRHLOWDLM-UHFFFAOYSA-N 273.340 1.513 0 50 CDAA C[C@@H](NC(=O)CC1CC1)c1nc(C(F)(F)F)n[nH]1 1472109015 FCVFHOFEMWPVBA-RXMQYKEDSA-N 262.235 1.801 0 50 CDAA CC(=O)N[C@H](C)C(=O)N1CCN(C2CC2)c2ccccc21 186823094 CQFDKNKSUKVTPA-LLVKDONJSA-N 287.363 1.527 0 50 CDAA Cc1cnn([C@H]2CCCN(c3cc(=O)n(C)cn3)C2)c1 579128556 DTEILHILASQGRU-LBPRGKRZSA-N 273.340 1.127 0 50 CDAA C[C@H]1C(=O)NCCCN1C(=O)c1coc(-c2ccccc2)n1 188853953 FINCTOGBVLEXKS-NSHDSACASA-N 299.330 1.692 0 50 CDAA c1cnc(CCN[C@@H]2CCCC[C@H]2N2CCOCC2)cn1 639609727 RJGLCDPLZUCDME-HZPDHXFCSA-N 290.411 1.252 0 50 CDAA OC[C@@H]1NCCOc2cc(Br)ccc21 675073534 KVNUCUSYJXNNQU-VIFPVBQESA-N 258.115 1.465 0 50 CDAA CN1C[C@H]2CC[C@H]1[C@@H](CN=c1ncc(F)c[nH]1)C2 643611580 YCNDMXSLDGBBIO-UMNHJUIQSA-N 250.321 1.180 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(C)n2C)C1 644117824 QQJZTMIVACFAPM-YPMHNXCESA-N 288.351 1.659 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CC[C@H](n2ccnn2)C1 585127004 NCUDOCIPTZGZOD-XUXIUFHCSA-N 274.368 1.878 0 50 CDAA COc1cccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1F 192981105 ZAMCDJGMFIPRLY-BETUJISGSA-N 264.344 1.828 0 50 CDAA O=C(NOCc1ccccc1)N1CCO[C@H](C(F)F)C1 194013461 NSXLGIYVDUZBEH-NSHDSACASA-N 286.278 1.794 0 50 CDAA O=C(Nc1cccc2c1CCO2)c1cnc2[nH]c(O)nc2c1 567966361 XTPVLASJNBGHCK-UHFFFAOYSA-N 296.286 1.851 0 50 CDAA CC[C@](C)(CO)C(=O)N1CCC2(CCC(O)CC2)CC1 568214226 RIYHTTORVHAKRG-OAHLLOKOSA-N 283.412 1.939 0 50 CDAA O=C(O)C1(C(=O)Nc2ccc3c(c2)CCOC3)CCC1 659200074 SYTIQEYTHHTDQD-UHFFFAOYSA-N 275.304 1.953 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cn(C)nc1C 758453434 FAVYQLNYLBQKDV-JQWIXIFHSA-N 251.330 1.872 0 50 CDAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1ccccn1 1615548668 YNNAWXHPISAQRV-RYUDHWBXSA-N 285.269 1.353 0 50 CDAA CCN(CC[C@H]1CCS(=O)(=O)C1)Cc1cnn(CC)c1 1529111436 YFVKDCVVNNJWLP-ZDUSSCGKSA-N 299.440 1.550 0 50 CDAA O=C(O)C1CN(C(=O)Cc2cccc3cccnc23)C1 1650501774 FRCABEMERNWXHH-UHFFFAOYSA-N 270.288 1.320 0 50 CDAA CCCN1C(=O)C[C@H](Sc2ncccc2C(=O)O)C1=O 1060226 MIPNVRKMENFENA-VIFPVBQESA-N 294.332 1.409 0 50 CDAA Cc1n[nH]cc1CN(C)c1ncc(F)c(N(C)C)n1 1506428397 ZGVPFCZHMRROMP-UHFFFAOYSA-N 264.308 1.350 0 50 CDAA Cc1cccnc1CN(C)C(=O)Cn1ccc(=O)cc1 1506428519 QPNJVXQVBZMDOT-UHFFFAOYSA-N 271.320 1.210 0 50 CDAA CN(CC[C@@H](O)c1ccccc1)CCn1cncn1 219580513 QMOVZMPDMVMFSN-CQSZACIVSA-N 260.341 1.334 0 50 CDAA O[C@@H]1CCCN(C[C@H](O)c2ccccc2Cl)C1 225164830 BKCIDOXVLLEOMJ-MFKMUULPSA-N 255.745 1.830 0 50 CDAA c1nncn1CCN1CCCN(C2CCCC2)CC1 1529195285 IAJAXDLNQZQLFK-UHFFFAOYSA-N 263.389 1.228 0 50 CDAA COCCN1CCC[C@]2(CCc3cnc(C)nc32)C1 1704336244 HYJQZFKPDZPFFA-HNNXBMFYSA-N 261.369 1.711 0 50 CDAA Cn1ccc(-c2nccn2CCc2cscn2)n1 1875246109 IMRUJQGLWIEMHI-UHFFFAOYSA-N 259.338 1.983 0 50 CDAA COc1nc2ccccc2cc1-c1nc(CO)nn1C 1875250590 OSEUXLPBTDQLRR-UHFFFAOYSA-N 270.292 1.531 0 50 CDAA Cc1cccc(N(C)CCNC(=O)/C=C/CN(C)C)c1 1875374286 IVCFFXNAUCLSKI-RMKNXTFCSA-N 275.396 1.665 0 50 CDAA C[C@H]1CN(Cc2cn(C(C)(C)C)nn2)CC[C@@H]1O 361603163 LSDYVSVSTPQXNH-JQWIXIFHSA-N 252.362 1.236 0 50 CDAA Cc1cc(C)cc(OCC(=O)NCCN(C)C)c1 5539421 HHZLWALYNKDTTL-UHFFFAOYSA-N 250.342 1.360 0 50 CDAA CCC1=C(C(=O)N2C[C@H](O)C3(CC3)C2)CCCO1 368994511 PYIIZPOKTVCMMR-LBPRGKRZSA-N 251.326 1.444 0 50 CDAA CCn1nc(C)c(C(=O)NC[C@@H]2CCCOC2)c1C 263873591 UQLZLEHNSAFNDL-LBPRGKRZSA-N 265.357 1.676 0 50 CDAA CC(C)C[C@H](O)C(=O)N1CCC(C2(O)CC2)CC1 1772805543 OENORSJRWOPSIY-LBPRGKRZSA-N 255.358 1.157 0 50 CDAA C[C@@]12C[C@H]1CN(C(=O)CN1CCc3ccccc3C1)C2 1775981686 MUKAIYMWCHCGAC-RDJZCZTQSA-N 270.376 1.913 0 50 CDAA CN(C)CCCNc1c(N)c(=O)oc2ccccc12 18008829 KMNGZZDRRKDPKH-UHFFFAOYSA-N 261.325 1.739 0 50 CDAA biogenic O=C(c1ccncc1)N1CCN(Cc2ccccn2)CC1 19773921 KIPWBSUSMPKQJC-UHFFFAOYSA-N 282.347 1.435 0 50 CDAA Cc1nonc1C(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857670233 CCOIRNODOCFHJX-UHFFFAOYSA-N 287.323 1.220 0 50 CDAA O=C(O)CCNS(=O)(=O)c1ccc2ccccc2c1 155625 ZARBMGXIZPSUAL-UHFFFAOYSA-N 279.317 1.593 0 50 CDAA in-vitro CCC[C@@H]1C(=O)NCCN1C(=O)c1cc2ccccc2n1C 123405782 XYTQABYHGHIVAZ-CQSZACIVSA-N 299.374 1.919 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1cnn(C(C)(C)C)c1 644182037 QXTRXQLVQRKDSP-HNNXBMFYSA-N 295.383 1.704 0 50 CDAA CN(CCNC(=O)C1CC(C)(O)C1)Cc1ccc(F)cc1 450047753 VYFROLHAUIBMKW-UHFFFAOYSA-N 294.370 1.535 0 50 CDAA CNc1nc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cs1 248073630 SUQQSXYKXFWXIA-MNOVXSKESA-N 281.381 1.727 0 50 CDAA CCc1nc(=N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)s[nH]1 585092222 KCCDITMPLYAHDU-MNOVXSKESA-N 293.396 1.588 0 50 CDAA COC[C@@H](NC(=O)c1cc(C)sn1)C1CCOCC1 585113341 QZJVEKKFCKAUNM-GFCCVEGCSA-N 284.381 1.623 0 50 CDAA COC[C@H]1CN(C(=O)Nc2cc(C(C)C)on2)CCO1 266432717 YMCFQOHVHILOKU-SNVBAGLBSA-N 283.328 1.677 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H]1CCc2c(F)cccc21 900350942 SGDDZGKKRIQXRX-AWEZNQCLSA-N 290.338 1.964 0 50 CDAA Cc1ncoc1CNC(=O)c1ccccc1-n1ccnn1 820234434 JLJQIAPSGYQNHN-UHFFFAOYSA-N 283.291 1.494 0 50 CDAA O=C1CCCN1[C@@H]1CCCN(CC2(O)CCOCC2)CC1 930728724 JGIFHQXWIWQRCF-CQSZACIVSA-N 296.411 1.005 0 50 CDAA NS(=O)(=O)c1cc2sc(C(=O)O)cc2s1 1857529580 YDTCSWGTUAFXLS-UHFFFAOYSA-N 263.321 1.308 0 50 CDAA C[C@H]1COCCN(C(=O)c2nc[nH]c2C(C)(C)C)C1 866950448 FJWZDSHUZSCFCK-SNVBAGLBSA-N 265.357 1.816 0 50 CDAA Cc1cn2nc(C(=O)N3CCC[C@H](C)[C@@H]3C)cc2c(=O)[nH]1 952882870 KPJCOGVHHWYVBJ-ONGXEEELSA-N 288.351 1.592 0 50 CDAA CC[C@@H](NC(=O)c1cnn(CCO)c1)C1CCCCC1 952995098 CSOVRJRWHXTXKV-CQSZACIVSA-N 279.384 1.964 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3=CCCOC3)n[nH]c21 1875395117 MADONJRWEIDHMK-ZJUUUORDSA-N 291.351 1.508 0 50 CDAA C[C@@H]1CCc2ccccc2N1CCC(=O)NS(C)(=O)=O 1875390846 UMIFCPKMNXKLDV-LLVKDONJSA-N 296.392 1.294 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCCc3nc[nH]c32)ns1 888101033 PYSNBAOJPQZDDL-SECBINFHSA-N 262.338 1.982 0 50 CDAA CCn1nc(C)c(COc2cnc3ccnn3c2)n1 1775989499 BRNJPDPFOLZXGL-UHFFFAOYSA-N 258.285 1.228 0 50 CDAA CCOC(=O)c1cc(C(=O)N2CCS[C@@H](C)CC2)[nH]n1 1775985597 KGDSSSNMSBAUDT-VIFPVBQESA-N 297.380 1.554 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NCCc1nc[nH]c1Br 1775987294 QOWBVEOFSZCPBV-RNFRBKRXSA-N 272.146 1.487 0 50 CDAA Cc1cnc(N2CCNCC2)c(Br)c1 38537814 KSLBPFNANUOETD-UHFFFAOYSA-N 256.147 1.562 0 50 CDAA in-vitro C[C@@H]1C[C@H](N)CCN1C(=O)CCOc1ccccc1F 237386906 BPSLZRXXAMVLIJ-VXGBXAGGSA-N 280.343 1.933 0 50 CDAA CC[C@]1(C(=O)N[C@H]2CCN3CCC[C@H]3C2)CCCN1 251265468 OFXRXVXZBXEYJF-KCQAQPDRSA-N 265.401 1.262 0 50 CDAA CN(C[C@H]1CCCCO1)CC(C)(C)CN1CCOCC1 32523836 VJXOLSIKUWYICK-OAHLLOKOSA-N 284.444 1.846 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@]2(C)CCOC2)cc1C(=O)O 161638970 ICISKNXMUINJJS-ZDUSSCGKSA-N 299.348 1.151 0 50 CDAA CN(Cc1cnc2ccccc2c1)Cc1nncn1C 286688429 CWNQVGMGTYBSSV-UHFFFAOYSA-N 267.336 1.995 0 50 CDAA COc1ccccc1C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 659226309 ANPZWMJRHQHLGN-AOOOYVTPSA-N 263.293 1.630 0 50 CDAA CCc1nc(CN2CC[C@H](O)CC(C)(C)C2)no1 331601376 HPOTYIJYNDWOLK-JTQLQIEISA-N 253.346 1.615 0 50 CDAA CCn1cc(C(=O)N[C@@H](CC2CC2)C(=O)O)c(C)n1 630158172 NGYBBDDYCXQOFK-NSHDSACASA-N 265.313 1.195 0 50 CDAA CN(C)C(=O)[C@H]1CCN(C(=O)NC2CCCCC2)C1 334647838 RXCSFZZNAVALMI-NSHDSACASA-N 267.373 1.439 0 50 CDAA O=C(c1cscn1)N1CCC([C@H]2CCNC2)CC1 377752757 XPUDENGKLBZTHI-NSHDSACASA-N 265.382 1.605 0 50 CDAA Cc1cc(C(N)=O)c(NCC2(CO)CCCC2)nc1C 828686727 ABASCKBWOBOHOQ-UHFFFAOYSA-N 277.368 1.762 0 50 CDAA COCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 2342747 FQSKKBNUGMWZES-UHFFFAOYSA-N 291.134 1.695 0 50 CDAA Cc1n[nH]cc1CNC[C@H]1CC(C(F)(F)F)=NO1 2325766957 VWWCUOVHFIDOSR-MRVPVSSYSA-N 262.235 1.515 0 50 CDAA Cc1c(N2C(=O)NC3(CC(C(C)(C)C)C3)C2=O)nnn1C 2325788226 UGGAAWNFWMORKT-UHFFFAOYSA-N 291.355 1.375 0 50 CDAA Cc1cc2c(Cc3ccco3)n[nH]c(=O)c2c(=O)[nH]1 53823 CNZVMERXOUPVOG-UHFFFAOYSA-N 257.249 1.104 0 50 CDAA CC(C)S(=O)(=O)c1cnc(-c2ccccn2)nc1N 124861 LLEOEXZPCYOBOJ-UHFFFAOYSA-N 278.337 1.303 0 50 CDAA COc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)cc1OC 228032 GUJOSGLEORDKLF-SNVBAGLBSA-N 299.330 1.989 0 50 CDAA CS(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 571565 GZJMDYRCRUOGIE-UHFFFAOYSA-N 282.365 1.684 0 50 CDAA C[C@@H](NC(=S)NC[C@@H]1CCCO1)c1ccncc1 609510 WSMCYQYINUJDKG-PWSUYJOCSA-N 265.382 1.786 0 50 CDAA C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N)cc2)C1 611125 CRYNHMDLCOBJQA-QWRGUYRKSA-N 268.382 1.935 0 50 CDAA CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 1569745 KFKWRHQBZQICHA-STQMWFEESA-N 278.352 1.172 0 50 CDAA endogenous,in-man O=C(COC[C@@H]1CCCO1)Nc1ncc(F)cc1F 2356137784 ZLMNVOQUQFAPLW-VIFPVBQESA-N 272.251 1.494 0 50 CDAA OC1CCN(c2nccn3c(-c4cncnc4)cnc23)CC1 2356147259 OOQQJUSSLFXXBI-UHFFFAOYSA-N 296.334 1.147 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccs1 2481599 OFTBUODXSAYZRC-SECBINFHSA-N 267.379 1.287 0 50 CDAA COc1cc2ncnc(N3CCNCC3)c2cc1OC 2541360 HGQPTOFRZXUHHS-UHFFFAOYSA-N 274.324 1.057 0 50 CDAA CN1CCC[C@]2(CCCN2C(=O)c2cccnc2O)C1=O 2356162171 AJNAVIGGRLZEOX-HNNXBMFYSA-N 289.335 1.014 0 50 CDAA CCOC(=O)CNC(=O)c1ccc(OCC)cc1 2800961 AQYULNLYHBFGIB-UHFFFAOYSA-N 251.282 1.378 0 50 CDAA CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1C 4137993 QKLTUZKTQSIWKO-UHFFFAOYSA-N 254.286 1.318 0 50 CDAA Cc1ccccc1-c1nnnn1[C@H]1CCS(=O)(=O)C1 4276526 KYUKEECNEIOEBZ-JTQLQIEISA-N 278.337 1.008 0 50 CDAA CC1=C(C(N)=O)[C@H](c2ccccc2F)NC(=S)N1 4574690 CLLRMKBEPJULQB-JTQLQIEISA-N 265.313 1.104 0 50 CDAA CC(=O)NCCC(=O)Nc1ccc(NC(C)=O)cc1 6336522 ZIIYUONGZJQMKL-UHFFFAOYSA-N 263.297 1.110 0 50 CDAA COc1ccccc1OCC(=O)N[C@@H](C)[C@@H]1CCCO1 6741182 IZAIHEFCVRLZQK-RYUDHWBXSA-N 279.336 1.758 0 50 CDAA CCOC(=O)[C@H](OC(C)=O)P(=O)(OCC)OCC 6758335 QHQNXSICNKWLOC-SNVBAGLBSA-N 282.229 1.705 0 50 CDAA in-vitro COc1ccc2c(c1)c1c3n2CCN(C)C3=NCC1 100011469 GVXBHSBKKJRBMS-UHFFFAOYSA-N 255.321 1.898 0 50 CDAA biogenic,in-man COc1ccc(CN2C[C@H](C(=O)O)CC2=O)cc1OC 8016318 LAGVWNLMHYIYJP-SNVBAGLBSA-N 279.292 1.137 0 50 CDAA C[C@@](CO)(CNCc1cnc2cnccn12)c1ccccc1 342174319 AVERNJJKRMKYHB-KRWDZBQOSA-N 296.374 1.769 0 50 CDAA CCc1nc(N2CC[C@H](O)[C@@H](CO)C2)c2ccsc2n1 413587701 HNZFCSMHSJLHIC-KOLCDFICSA-N 293.392 1.433 0 50 CDAA COC(=O)C[C@]1(NCc2cncc(C)c2)CCCOC1 225501622 XDSFXTUFYWZTNM-OAHLLOKOSA-N 278.352 1.592 0 50 CDAA CC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9498415 VPKNETCUMMEZAM-NSHDSACASA-N 296.392 1.890 0 50 CDAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1cc[nH]n1 100777748 KAFDLCZZUNXGPU-SFYZADRCSA-N 251.673 1.432 0 50 CDAA O=c1[nH]nc([C@@H](O)c2ccccc2)n1Cc1ccco1 65493695 AMMIXDYMFIUUNJ-LBPRGKRZSA-N 271.276 1.294 0 50 CDAA CNC(=O)[C@H]1CCC[C@@H]1NC(=O)CCc1ccncc1 345909728 JATXZJVUNYRMRJ-STQMWFEESA-N 275.352 1.045 0 50 CDAA CC[C@@H](C(=O)NC)N(c1cccc(C)c1)S(C)(=O)=O 67622013 ARGRQEIPTIQHDK-LBPRGKRZSA-N 284.381 1.286 0 50 CDAA C[C@H](C(=O)N1CCC[C@H]1[C@H]1CCCN1C)n1cccn1 248158299 WNXWDXZFXJULEB-MCIONIFRSA-N 276.384 1.529 0 50 CDAA CCc1ncc(C(=O)NCc2cccnc2N(C)C)cn1 67675489 BWJGOLPHGSACPC-UHFFFAOYSA-N 285.351 1.430 0 50 CDAA Cc1nc(CCCNC(=O)[C@H]2COCCO2)sc1C 67855995 POLGYNSUUFKVSW-LLVKDONJSA-N 284.381 1.224 0 50 CDAA CC(C)[C@H](C(=O)NCc1ccc(O)nc1)N1CCCCC1 135597819 SDFOZKDNCGABBA-OAHLLOKOSA-N 291.395 1.914 0 50 CDAA Cc1cc(C)c(C(=O)NCC(=O)NC(C)C)c(C)c1 67447087 XKPGENFHUVUENJ-UHFFFAOYSA-N 262.353 1.866 0 50 CDAA COC(=O)[C@H](c1ccsc1)N1CCCN(C(N)=O)CC1 253397093 UJORTZCEVKSDSN-NSHDSACASA-N 297.380 1.049 0 50 CDAA CNC(=O)c1ccc(Cn2nnc(-c3ccco3)n2)cc1 352021618 QBLYLHYMIFLMGB-UHFFFAOYSA-N 283.291 1.341 0 50 CDAA CC[C@@H](C(N)=O)N(c1cc(C)ccc1C)S(C)(=O)=O 65363518 XPWFDJYIJYGXOG-NSHDSACASA-N 284.381 1.333 0 50 CDAA CN1CCN(C(=O)c2cccn2C2CC2)C[C@@H]1c1ncc[nH]1 328628543 NVCDNLIDTRSXSV-CQSZACIVSA-N 299.378 1.675 0 50 CDAA OCc1ccccc1-c1nnnn1-c1ccccc1 67586932 PUIOUZBTWOKZIZ-UHFFFAOYSA-N 252.277 1.822 0 50 CDAA Cc1[nH]c2c(CN3CCO[C@H](C(N)=O)C3)cccc2c1C 216385198 MSQKVQLIHUUGDK-AWEZNQCLSA-N 287.363 1.471 0 50 CDAA c1cn(C[C@@H]2CCCO2)c(-c2cc3n(n2)CCCNC3)n1 72423068 YVKVHCWNAYHFJP-ZDUSSCGKSA-N 287.367 1.419 0 50 CDAA CSCC[C@@H](O)C(=O)NCc1cc(C)nc(C)c1 218785978 NSCCHCLNLICPSW-GFCCVEGCSA-N 268.382 1.429 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)Cn2nnnc2C)cc1C 123307960 RVLJYGXVAQGQOD-LLVKDONJSA-N 273.340 1.476 0 50 CDAA CN(CC(=O)O)C(=O)/C=C/c1cncc2ccccc12 153155355 ULRKBQUUFNVFSC-VOTSOKGWSA-N 270.288 1.791 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)CCCn3cncn3)C[C@@H]2C1 71736468 HKDXZFSFQBQLTE-KGLIPLIRSA-N 274.368 1.873 0 50 CDAA CCn1ncnc1CN1CC[C@H](n2nc(C)cc2C)C1 216078328 APYAWLSPEYKZHX-ZDUSSCGKSA-N 274.372 1.558 0 50 CDAA CCOC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 218828773 YRDJSCAEIYPOCW-UHFFFAOYSA-N 273.329 1.877 0 50 CDAA O=C(c1conc1C1CC1)N1CC([C@H]2CCOC2)C1 365664691 WMFFZXDQWYWHAP-JTQLQIEISA-N 262.309 1.661 0 50 CDAA Cc1cc(C(=O)NCCSc2nccn2C)nc(C)n1 216052440 INKRUQJVDFWHAE-UHFFFAOYSA-N 291.380 1.349 0 50 CDAA COc1cccc(F)c1C(=O)NCCCc1cnn(C)c1 218979211 YVDVKYOJUYSIEA-UHFFFAOYSA-N 291.326 1.930 0 50 CDAA C[C@@H]1CCCN1c1ccc(S(=O)(=O)NCC2CC2)cn1 172812093 HWXMARCBXUYHAX-LLVKDONJSA-N 295.408 1.759 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[C@@H]2N)C1(C)C 299738577 CIIPPJDFQMVVIA-ZDEQEGDKSA-N 268.401 1.776 0 50 CDAA O=C(O)Cc1ccccc1NC(=O)COC1CCOCC1 262775400 WFLGARGLNRRMLO-UHFFFAOYSA-N 293.319 1.448 0 50 CDAA CNC[C@H](C)C(=O)N1CCO[C@@H](c2ccccc2C)C1 237303002 WRIAKVFJQYSPJP-DZGCQCFKSA-N 276.380 1.750 0 50 CDAA Cn1cc2c(=NC[C@@H]3C[C@H]4C=C[C@H]3CC4)ncnc-2[nH]1 333760770 PFDXDVYLWQXPAY-SRVKXCTJSA-N 269.352 1.751 0 50 CDAA Cc1cc([C@@H]2CN(Cc3cnn[nH]3)CCO2)ccc1F 450637869 BFKDETOGHUSNTE-AWEZNQCLSA-N 276.315 1.826 0 50 CDAA CCc1nc([C@H](C)NC[C@H]2COCCO2)cs1 450731329 YBBRCEVKQSMROA-UWVGGRQHSA-N 256.371 1.772 0 50 CDAA C[C@@H](C(=O)NCc1cccc(Cl)c1)n1cnnn1 40286824 DKGVOOPZYCGWRC-QMMMGPOBSA-N 265.704 1.204 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2conc2C2CC2)N(C)C1 285167907 YUFFYIAIEDMYAG-RYUDHWBXSA-N 293.367 1.343 0 50 CDAA CCc1ccccc1C(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 285278726 NTZZDQCEKYHFEP-HUUCEWRRSA-N 286.375 1.942 0 50 CDAA CCn1ncc(CNC(=O)Nc2c(F)cccc2OC)n1 529064529 KRXCQRUKDOTBDK-UHFFFAOYSA-N 293.302 1.767 0 50 CDAA CC(C)c1noc([C@H](C)NC(=O)N2CCC(O)CC2)n1 426697596 VEQZOXRGQRKYDK-VIFPVBQESA-N 282.344 1.420 0 50 CDAA COCc1nc(C)cc(N(C)C[C@@H](C)C(=O)O)n1 263562808 SWUPKAZZTRAAOJ-MRVPVSSYSA-N 253.302 1.088 0 50 CDAA C[C@H](C(=O)O)C(=O)N[C@@H](C)c1ccc(Cl)cn1 263554703 NNWWTFKJPFCTTG-BQBZGAKWSA-N 256.689 1.633 0 50 CDAA C[C@@]1(C(=O)NCc2cnn3ccccc23)CCCO1 426563003 CLQBFEJXPDPZMQ-AWEZNQCLSA-N 259.309 1.520 0 50 CDAA CC[C@@](C)(O)CNC1CCN(Cc2ccccn2)CC1 177959340 FIGSSOKTJWIHNX-MRXNPFEDSA-N 277.412 1.797 0 50 CDAA C[C@@H](C(=O)O)n1cc(I)cn1 47218727 VPXFCAUGPKPCFF-BYPYZUCNSA-N 266.038 1.133 0 50 CDAA in-vitro Cc1ncn(CCNC(=O)C[C@H]2CCCOC2)c1C 426531505 AJHYMGZJFJMHNS-CYBMUJFWSA-N 265.357 1.433 0 50 CDAA Cc1ccc2cccc(C(=O)N3CC[C@@H](CN)C3)c2n1 178520583 MXFBTXADRSQTSC-LBPRGKRZSA-N 269.348 1.964 0 50 CDAA COCC[C@H]1COCCN1C(=O)c1ccc(Cl)o1 291123226 DEYDARCTGSVVMF-VIFPVBQESA-N 273.716 1.811 0 50 CDAA O=c1c2cccnc2ccn1Cc1nccn1C1CC1 95364145 BLLJRGQVADYROE-UHFFFAOYSA-N 266.304 1.976 0 50 CDAA CCc1[nH]nc2c1CN(C(=O)c1ccn(C(C)C)n1)CC2 426359636 OKXZHHLENJZHHH-UHFFFAOYSA-N 287.367 1.948 0 50 CDAA CC[C@H](c1cccnc1)N(C)C(=O)CCC(=O)O 426534408 GEKPRNRQLADPNF-LLVKDONJSA-N 250.298 1.856 0 50 CDAA COc1ccc(F)cc1-c1nc(N2CCOCC2)n(C)n1 96180303 QDWJYJCQKBOZQD-UHFFFAOYSA-N 292.314 1.466 0 50 CDAA CCN(CC)CC1(NC(=O)c2ccccc2C(=O)O)CC1 426475573 SFMMFCULBMHGIM-UHFFFAOYSA-N 290.363 1.989 0 50 CDAA CC(=O)N[C@H]1CCN(C(=O)NCc2ccc(C)cc2C)C1 334990686 VWRTURCKNXAZKX-HNNXBMFYSA-N 289.379 1.723 0 50 CDAA Cc1cnc(N)nc1NCC1(Cn2ccnc2C)CC1 92062487 RPCKILYGVOMSBF-UHFFFAOYSA-N 272.356 1.764 0 50 CDAA O=c1c2cc(F)c(F)cc2ncn1CC1(O)CCC1 336632871 VBWVMCNLOLIXNB-UHFFFAOYSA-N 266.247 1.590 0 50 CDAA CNc1ncc(CN(C)c2nc(C)nc3ncccc23)cn1 95357345 MMBRPVSCLLUKKA-UHFFFAOYSA-N 295.350 1.801 0 50 CDAA CCN(C)c1ccnc(N2C[C@H](C3CC3)[C@@H](N)C2)n1 95358085 ZJDPKKZRVLZHRO-NEPJUHHUSA-N 261.373 1.106 0 50 CDAA COCC[C@]1(O)CCN(c2cc(OC)ncn2)C[C@H]1C 91604397 IKYKVBZPBGWRMZ-BXUZGUMPSA-N 281.356 1.099 0 50 CDAA CCn1nc(C2CCOCC2)nc1CCn1ccnc1C 96138514 RESPORCEPFJCIC-UHFFFAOYSA-N 289.383 1.940 0 50 CDAA CCc1cc(C(=O)N2CCCC[C@@H]2CCO)cc(=O)[nH]1 97594756 BMOZIBNURNYQBP-CYBMUJFWSA-N 278.352 1.314 0 50 CDAA COc1cc(-c2nc3c([nH]2)CCCNC3=O)ccc1O 95363736 BIKWMPUQYVWBDR-UHFFFAOYSA-N 273.292 1.467 0 50 CDAA O=C(N[C@H]1CC[C@H](n2cnnc2)CC1)c1ccno1 244852921 VBTUZEVSTRWKHE-MGCOHNPYSA-N 261.285 1.180 0 50 CDAA O=C(NCCc1csc2ccccc12)[C@@H]1C[C@@H](O)CN1 299750218 MXBMYVXKGHDIIU-YPMHNXCESA-N 290.388 1.283 0 50 CDAA O=C(CC1(n2cccc2)CCOCC1)Nc1ncc[nH]1 253414380 XGYPXDXCKQYFGP-UHFFFAOYSA-N 274.324 1.746 0 50 CDAA Cc1cc(C(=O)NC/C=C/CO)c(C)n1[C@@H]1CCOC1 628060881 YWRMYYWIELHYEO-ITDFMYJTSA-N 278.352 1.345 0 50 CDAA O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)c1ccc(Cl)cn1 628206090 PHRMSFKZWQUVRF-BXKDBHETSA-N 292.726 1.718 0 50 CDAA CC(C)[C@H](CNC(=O)CCc1nc(Cl)n[nH]1)N(C)C 534673089 IMZLSPCQNKJNBG-VIFPVBQESA-N 287.795 1.093 0 50 CDAA CCCN(Cc1nccn1C)C(=O)N[C@@H]1CCCC[C@H]1O 534592716 MSRYKMNIYBWSKU-CHWSQXEVSA-N 294.399 1.645 0 50 CDAA Cc1cc(=NC(=O)c2ccc(Cn3ccnc3)o2)[nH]o1 1940197358 KDCVSILOJMSIOL-UHFFFAOYSA-N 272.264 1.495 0 50 CDAA CC(=O)N[C@@H](C)C(=O)N1CC(Oc2cccc(Cl)c2)C1 299768756 QBCTXWORGYBLOE-VIFPVBQESA-N 296.754 1.454 0 50 CDAA CC[C@H](NC(=O)CCCN1CCOCC1)c1ccncc1 584895574 VRBWINUYEBQWKB-HNNXBMFYSA-N 291.395 1.761 0 50 CDAA O=C(NC[C@H]1CCOC1)C1(N2CCCC2)CCCCC1 584886759 ACPFIUGLHFDPJY-CQSZACIVSA-N 280.412 1.938 0 50 CDAA Cc1nnnn1CCC(=O)NC(C)(C)CC(C)C 584904134 HTRJIZRSECBZDT-UHFFFAOYSA-N 253.350 1.313 0 50 CDAA O=C(NCc1cscc1Cl)N1C[C@@H]2C[C@H]1CN2 1548449103 GQUHKRKXVXGJNH-IUCAKERBSA-N 271.773 1.657 0 50 CDAA CC1=C(C(=O)NCc2ccc3c(c2)CCO3)OCCO1 952972187 WOXSBHRCZMQMLT-UHFFFAOYSA-N 275.304 1.516 0 50 CDAA OCCOc1ccccc1CNCc1cccc(CO)c1 952969839 KFZCWBWSZLYFBT-UHFFFAOYSA-N 287.359 1.840 0 50 CDAA CCC1=NO[C@@H](CNC(=O)CCCN2CCCC2=O)C1 952966998 GSSAIOSGSYABFH-GFCCVEGCSA-N 281.356 1.060 0 50 CDAA CCOc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1F 268913755 OSJNRSWGPDCAAF-UWVGGRQHSA-N 281.283 1.561 0 50 CDAA CC(C)Cn1nccc1C(=O)NCc1cc(=O)c(O)co1 1472229452 NPVWTKVGACCSFU-UHFFFAOYSA-N 291.307 1.128 0 50 CDAA C=CC(=O)NCCNC(=O)c1cccc([C@@H]2CCOC2)c1 270466607 BJQQRAYJCGOWNC-CQSZACIVSA-N 288.347 1.223 0 50 CDAA CO[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 218006520 XBRVSWLNYZFLOZ-IUCAKERBSA-N 259.302 1.343 0 50 CDAA CCc1ccc2occ(C(=O)N3CC(O)(CO)C3)c2c1 408522205 FKVLIPVMMKZLST-UHFFFAOYSA-N 275.304 1.174 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2c2nc3ccccc3o2)n1 275334379 QWOOWICRLHINEW-MWLCHTKSSA-N 286.291 1.832 0 50 CDAA CO[C@H]1CNC[C@@H]1NC(=O)C(C)(C)c1cccc(F)c1 170051460 AFXKJDVTQJOIIQ-STQMWFEESA-N 280.343 1.206 0 50 CDAA Cc1[nH]cnc1CC(=O)N(C)[C@H](C)c1cccnc1 278826277 JIYYHNKTYGLGRG-LLVKDONJSA-N 258.325 1.875 0 50 CDAA CC(=O)N1CC(NC(=O)c2ccc3nc(S)oc3c2)C1 170647733 UIZACNPBEXFPAE-UHFFFAOYSA-N 291.332 1.077 0 50 CDAA CNC(=O)CCN(C)Cc1ccc([Si](C)(C)C)cc1 170616839 PJAPOVDYOBLEQP-UHFFFAOYSA-N 278.472 1.800 0 50 CDAA CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2nc(C)c(C)o2)C1 189341179 UAKCDXRCEKGWLD-NWDGAFQWSA-N 292.339 1.945 0 50 CDAA CCOc1nc(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)co1 672197901 MSQURDJMYPUELF-RYUDHWBXSA-N 296.323 1.093 0 50 CDAA COC(=O)[C@H](C)N(C(=O)c1cscn1)C1CCC1 190368598 CYRWFKQKIAKNQA-QMMMGPOBSA-N 268.338 1.699 0 50 CDAA CC(=O)NC1CN(C(=O)c2ccc(C(F)(F)F)cc2)C1 190501682 SVVMKZBDYCHHQU-UHFFFAOYSA-N 286.253 1.666 0 50 CDAA COCc1nc(C)cc(N2CCC3(CC2)CNC(=O)C3)n1 674409130 BRQBUSOVFIKJFU-UHFFFAOYSA-N 290.367 1.038 0 50 CDAA CC(C)=C(F)C(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 583623162 QCQKMLSNHRRRSZ-RYUDHWBXSA-N 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in-vitro O=C(N[C@H](CC1CC1)C(=O)O)c1ccnc(C2CC2)c1 630159210 MYIQZDBUUJUQRO-CYBMUJFWSA-N 274.320 1.942 0 50 CDAA CCC[C@H]1C(=O)NCCN1C(=O)c1cc2ccccc2n1C 123406017 XYTQABYHGHIVAZ-AWEZNQCLSA-N 299.374 1.919 0 50 CDAA C[C@@H]1CNCCN1C(=O)CCCOc1ccc(F)cc1F 124494845 FFBGQCALGMTZRV-LLVKDONJSA-N 298.333 1.944 0 50 CDAA CC(C)Oc1ccccc1CC(=O)N1CCNC[C@@H]1C 126284839 LWXBTRMBCGWOFY-ZDUSSCGKSA-N 276.380 1.837 0 50 CDAA Cn1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cn1 334387736 PPCLULXRUOATSI-ZIAGYGMSSA-N 289.310 1.507 0 50 CDAA O=C(Cc1ccc2c[nH]nc2c1)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333882372 WORJCPWTENOCLS-WMHQRMGPSA-N 295.342 1.517 0 50 CDAA O=C(O)[C@@H](CNC(=O)[C@@H]1CCCOC1)Cc1ccccc1 238175381 LBXDOBSNWCRFNN-ZIAGYGMSSA-N 291.347 1.473 0 50 CDAA CCOC1(C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)CCCC1 252480254 BZAZNANGABXAAL-RYUDHWBXSA-N 282.384 1.496 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)[nH]n1 263768177 DYAUFQJCNKJSMJ-VIFPVBQESA-N 290.289 1.332 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)CN1CCCC1 386347392 AVXSWYMVIPYYFX-YJNKXOJESA-N 296.411 1.161 0 50 CDAA O=C(Cc1ccccc1F)NC1(C(=O)O)CCC1 164889021 CDHGTZLOXPGMKZ-UHFFFAOYSA-N 251.257 1.492 0 50 CDAA CC(C)=CCCN1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 1704336458 JFJCSUQVMRHGNE-LSDHHAIUSA-N 283.412 1.710 0 50 CDAA C[C@@H]1CN(C(=O)c2ccccc2-n2cccc2)CC(=O)N1 821502298 NPZGKVVXMBLOFA-GFCCVEGCSA-N 283.331 1.438 0 50 CDAA CN(C)C(=O)c1cccc(CNCCn2ccnc2)c1 921483014 AOQCWRXPKGWDIM-UHFFFAOYSA-N 272.352 1.375 0 50 CDAA Cc1nc([C@H](C)OC(=O)c2cccn3nccc23)no1 1127969924 NJEVWKXFVMAMOF-QMMMGPOBSA-N 272.264 1.944 0 50 CDAA Cc1ccc(NCc2cnn(C)c2S(N)(=O)=O)c(F)c1 952994091 UXIYJEATBOHPJI-UHFFFAOYSA-N 298.343 1.127 0 50 CDAA O=C(N[C@@H]1C=CC[C@@H](C(=O)O)C1)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875304607 PKMFUWLSDGBDBH-VEGXAWMVSA-N 279.336 1.480 0 50 CDAA O=C(c1ccc[nH]1)N1CCOc2ccccc2[C@H]1CO 887107247 DNYAZNPUMSVZKZ-CYBMUJFWSA-N 272.304 1.583 0 50 CDAA C=CC(=O)Nc1ccc(F)c(N2CCOCC2)c1 888098811 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Cc1nnsc1COC(=O)[C@H]1CCO[C@H](C)C1 240407389 FLWQPNIYKNFVKA-APPZFPTMSA-N 256.327 1.705 0 50 CDAA CCc1nnc(CNC(=O)[C@@H]2Cc3ccccc3O2)s1 220540932 KEPKBNIKQZHYJQ-NSHDSACASA-N 289.360 1.720 0 50 CDAA CCc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)[nH]1 223270144 QKHGCOMXQCFIOO-UHFFFAOYSA-N 284.319 1.677 0 50 CDAA Cn1c(=O)cc(C(=O)N2CCCC[C@@H](N)C2)c2ccccc21 82107192 OOBULCZDXFOWQN-GFCCVEGCSA-N 299.374 1.492 0 50 CDAA CN(C[C@@H]1CCCOC1)C(=O)Cc1cccc(C(=O)O)c1 263547723 UVLXNVVRDXFROJ-ZDUSSCGKSA-N 291.347 1.812 0 50 CDAA CN1CC[C@@H](N(C)C(=O)c2ccc(-c3ncccn3)cc2)C1 426544532 WEVXXTUTYDGIPL-OAHLLOKOSA-N 296.374 1.920 0 50 CDAA CC[C@@H](C(N)=O)N1CCN(c2ccnc3ccccc23)CC1 289288897 GZDGKVLWIOBIPU-HNNXBMFYSA-N 298.390 1.621 0 50 CDAA Cc1nc(-c2ccc(S(C)(=O)=O)cc2)n(C)n1 426632868 LCLMCPDKVNFLOX-UHFFFAOYSA-N 251.311 1.194 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(N)nc2)n1 222748898 SVPGBSOUKBBTKQ-JTQLQIEISA-N 273.340 1.296 0 50 CDAA Cc1cc(OCC(=O)N2CC[C@H](CN)C2)ccc1Cl 178555918 VFWPNLSRXKXZEN-LLVKDONJSA-N 282.771 1.834 0 50 CDAA Cc1cc(C)nc(NC(=O)CCc2cnn(C)c2C)n1 291167169 MTIHVBNIIQKQCA-UHFFFAOYSA-N 273.340 1.707 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1cccs1 299741583 GPBLOXKEBXETIU-IVZWLZJFSA-N 283.349 1.805 0 50 CDAA C[C@@H](C(=O)O)N1CCCN(Cc2ccc(F)cc2)CC1 237484530 JOUZZUXBZIFPPK-LBPRGKRZSA-N 280.343 1.807 0 50 CDAA CC(C)Oc1cccc(C(=O)N[C@H]2CCCCNC2=O)n1 179000181 GWJKWPDRALPDMH-NSHDSACASA-N 291.351 1.267 0 50 CDAA COCC[C@@]1(CO)CCCN(Cc2nccn2COC)C1 91860216 QZHNYQDKJSPBGV-HNNXBMFYSA-N 297.399 1.098 0 50 CDAA Cc1cnn(CCC(=O)N2CCC([C@@H](C)N(C)C)CC2)c1 91860407 MZEANHWQIBINMZ-CQSZACIVSA-N 292.427 1.770 0 50 CDAA CCCn1ncc(C(=O)N[C@H]2CCCCNC2=O)c1C 91876937 FTJDCPDGXMZJSF-LBPRGKRZSA-N 278.356 1.000 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)N2CCC(F)CC2)c1 97694957 HPSSKIHZCYNGGP-UHFFFAOYSA-N 281.283 1.968 0 50 CDAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(F)cc1 239402726 RCMPDKQHHLGASK-RECBEJSDSA-N 275.279 1.962 0 50 CDAA COCCCn1cnnc1[C@@H](C)NC(=O)c1cc(C)on1 97243743 QJXPAQJUGKPGHB-SNVBAGLBSA-N 293.327 1.102 0 50 CDAA Cc1nn(CC(N)=O)c(C)c1-c1ccc2c(c1)OCCO2 96152462 JWPQMIINSGPIGM-UHFFFAOYSA-N 287.319 1.423 0 50 CDAA C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)OC(C)(C)C 235528345 SINCIOFMDCMHQQ-MVWJERBFSA-N 255.358 1.874 0 50 CDAA O=C(NCCc1ccccn1)[C@H]1CC[C@@H](C(=O)O)C1 97475054 ZPCFFLLBTKOWNU-WDEREUQCSA-N 262.309 1.241 0 50 CDAA Cc1c(CN(C)C(=O)[C@@H]2COc3ccccc3C2)cnn1C 95522980 HOHIMNQYPSVRPL-AWEZNQCLSA-N 299.374 1.938 0 50 CDAA CCC[C@@]1(CO)CCCN(C(=O)Cn2cc(C)cn2)C1 91769840 DECYQPCSRCDMJK-OAHLLOKOSA-N 279.384 1.593 0 50 CDAA c1c([C@H]2CCOC2)nnn1Cc1noc(C2CCCC2)n1 91435095 YJKLLSQMGKCDLO-NSHDSACASA-N 289.339 1.871 0 50 CDAA CC(C)C[C@@H](NC(=O)CN1CCC[C@H]1C)C(=O)O 236770503 BPKORCPAGNZECA-GHMZBOCLSA-N 256.346 1.086 0 50 CDAA Cc1ccc([C@H](C(=O)NCCCCCN)N(C)C)cc1 91270620 RDIOWRWGJYQFRB-OAHLLOKOSA-N 277.412 1.843 0 50 CDAA O=C(NCc1ccc2nsnc2c1)[C@@H]1CCOC1 97572344 OIWHYFAETSBCOS-SECBINFHSA-N 263.322 1.344 0 50 CDAA O=C(O)[C@@H]1CCN1Cc1cccc(-n2cccn2)c1 244874330 WZNDZRFMZSRLHT-ZDUSSCGKSA-N 257.293 1.531 0 50 CDAA Cc1ccccc1CNC(=O)CN1[C@H]2CC[C@@H]1CCNC2 244884011 YDNABISRXWXTNZ-CVEARBPZSA-N 287.407 1.438 0 50 CDAA C[C@@H](COc1ccccc1)C(=O)N1CC[C@@H](C(=O)O)C1 299741370 FJEYQJFLQLGPNK-NWDGAFQWSA-N 277.320 1.635 0 50 CDAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(-c2cccnc2)[nH]n1 252494311 NRRKZKMFXALGSL-IINYFYTJSA-N 288.351 1.609 0 50 CDAA C[C@@H]1CCCCN1C1CN(Cc2cccc(C(=O)O)n2)C1 534656652 PYUGLHFXCSATNU-GFCCVEGCSA-N 289.379 1.838 0 50 CDAA O=C(CC1CCNCC1)NCCCC[C@H]1CCCO1 534578283 XKDMQJPAXSGSRR-AWEZNQCLSA-N 268.401 1.842 0 50 CDAA O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1C=CCN1 534672346 FONLFGJMEINLJR-HNNXBMFYSA-N 286.375 1.379 0 50 CDAA C[C@@H](Cn1cccn1)C(=O)NCCc1cn2ccccc2n1 820631997 NWWDERFMJCLYEC-ZDUSSCGKSA-N 297.362 1.526 0 50 CDAA Cc1cccc([C@H](NS(=O)(=O)N(C)C)C2CC2)n1 825230721 VOBUCFBVCRTTTF-GFCCVEGCSA-N 269.370 1.237 0 50 CDAA CCCn1nccc1S(=O)(=O)N[C@@H](C)c1ncc(C)[nH]1 584901984 CBSJMZQNODDJKQ-JTQLQIEISA-N 297.384 1.364 0 50 CDAA CCc1noc(CCNC(=O)C[C@@H]2CCCOC2)n1 584889317 ZRTMOYPJYZKPNI-JTQLQIEISA-N 267.329 1.107 0 50 CDAA Cc1nonc1CN(C)CCCc1c(C)n[nH]c1C 670450483 IHPWTJMQCQSEQX-UHFFFAOYSA-N 263.345 1.783 0 50 CDAA C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1cccn(C)c1=O 685939647 ATXFIQXNONHXKE-DGCLKSJQSA-N 292.383 1.189 0 50 CDAA O=C(NCc1cc[nH]n1)c1ncoc1[C@@H]1CCCO1 1339125930 FTCAYCUDKVUHNG-VIFPVBQESA-N 262.269 1.179 0 50 CDAA CC1(C)CC(CC(=O)N2CC[C@H](CO)C2)CC(C)(C)N1 952972712 UOOVVOWDFIUBLO-LBPRGKRZSA-N 282.428 1.774 0 50 CDAA CS(=O)(=O)c1cccc(-c2cncc(C(=O)O)c2)c1 65348808 UKNZELWCEQXNDA-UHFFFAOYSA-N 277.301 1.850 0 50 CDAA in-vitro CC1(C)[C@@H](O)CCN1C(=O)c1cc(-c2ccncc2)on1 408241193 UKPICWZNAKHEQA-ZDUSSCGKSA-N 287.319 1.722 0 50 CDAA O=C(/C=C/c1cc(CO)cs1)NCCc1ncc[nH]1 952969258 IJXDNMRAHJDNEW-OWOJBTEDSA-N 277.349 1.336 0 50 CDAA COC(=O)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 408337159 DZVCVWHGYWHGRR-IVZWLZJFSA-N 275.295 1.880 0 50 CDAA COc1cc2c(cc1CN[C@@H](C)c1n[nH]c(C)n1)OCO2 894774388 RFXVOGKWSDKHPI-QMMMGPOBSA-N 290.323 1.701 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@]2(CCCNC2)C1 91303964 WPWQOZQQBMPUIV-ZDUSSCGKSA-N 256.346 1.376 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](C(=O)O)C2 82170044 LYLRTOVRNNYTRC-JTQLQIEISA-N 285.340 1.877 0 50 CDAA in-vitro CCOCC1(O)CCN(C(=O)OC(C)(C)C)CC1 95644205 RXPJSQJGAHDOPU-UHFFFAOYSA-N 259.346 1.785 0 50 CDAA in-vitro O=C(CN[C@H]1CCCSC1)NC1CCCCC1 167462837 OWBGULDHZXYTQG-LBPRGKRZSA-N 256.415 1.921 0 50 CDAA COCC1(CCNC(=O)c2cnc(C3CC3)nc2)CC1 575126080 QVMGLSDNDAKCPL-UHFFFAOYSA-N 275.352 1.901 0 50 CDAA CC[C@](C)(CC(=O)OC)NC(=O)c1oc(C)nc1C 170651974 XBFULGZWWGZMNK-CYBMUJFWSA-N 268.313 1.753 0 50 CDAA CCc1nnc(S)n1CCNC(=O)C1[C@@H]2CCC[C@@H]12 170652209 IHRCCKHPMMIQIN-RKDXNWHRSA-N 280.397 1.292 0 50 CDAA C[C@@H](NC[C@@]1(O)CCC[C@H]1C)C(C)(C)n1cncn1 639210009 GJIPXWOIGKXIKM-BZPMIXESSA-N 266.389 1.542 0 50 CDAA NC(=O)c1nccnc1N1CCC[C@H](Nc2ccccc2)C1 641439356 PHIBXSJGPHKVEM-ZDUSSCGKSA-N 297.362 1.656 0 50 CDAA O=C(c1ccc2nccnc2c1)N1CCC[C@@H]1CO 61415784 FUORCSWJIOMHEI-LLVKDONJSA-N 257.293 1.227 0 50 CDAA Cc1cccc(C(N)=O)c1NCc1nc(C2CC2)nn1C 581824591 QPAOMCHUEAWFQK-UHFFFAOYSA-N 285.351 1.712 0 50 CDAA O=C(CN1CSCCSC1)NCc1nccs1 585120981 AWYUGQKAWAPRHD-UHFFFAOYSA-N 289.451 1.456 0 50 CDAA CN(C)[C@H]1C[C@H](NC(=O)c2ccn(C)n2)C12CCC2 585127619 FMEVUGRAGYXFMJ-RYUDHWBXSA-N 262.357 1.023 0 50 CDAA CNc1ncnc2c1cnn2C[C@@H](O)CC(F)(F)F 193757510 WCIYNAKXSNKQNE-LURJTMIESA-N 275.234 1.181 0 50 CDAA CCOC(=O)[C@@]1(C(C)C)CCN(Cc2nnc(C)n2C)C1 194881723 ZDCNCTSWSRZIRT-HNNXBMFYSA-N 294.399 1.535 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(CC)[C@@H]1CCOC(C)(C)C1 908256726 GWCKKZJJRWAQSZ-CYBMUJFWSA-N 296.411 1.827 0 50 CDAA N[C@H]1C[C@@H](CN2CCn3c(Cc4ccccc4)nnc3C2)C1 904339905 AMPNFOQWWAVPGP-GASCZTMLSA-N 297.406 1.422 0 50 CDAA O=C(Nc1cnn(C2CCC2)c1)[C@]12CNC[C@H]1CCOC2 1615555431 SZPNKBZVRFHRQU-ABAIWWIYSA-N 290.367 1.173 0 50 CDAA C[C@@]1(CNC(=O)c2cn3cc(CN)ccc3n2)CC1(F)F 1615555223 ZVSRHXFYSNFVDZ-ZDUSSCGKSA-N 294.305 1.568 0 50 CDAA Cc1cnc(O)c(CNC(=O)[C@]23CCC[C@H]2NCC3)c1 1615555531 URUUOLCMUHSKHL-DOMZBBRYSA-N 275.352 1.244 0 50 CDAA Cc1nn(CC(=O)N[C@@]23CCC[C@@H]2NCC3)c2ncccc12 1615549343 VQBBAFPUHJTHNS-XJKSGUPXSA-N 299.378 1.141 0 50 CDAA Cc1ccsc1C(=O)N[C@@H]1COC2(CCNCC2)C1 1857703524 UFIHEHZWVHATOS-NSHDSACASA-N 280.393 1.697 0 50 CDAA NC(=O)COc1ccc(NC(=O)c2cccnc2)cc1 619323 HHMODGQLPFXRTA-UHFFFAOYSA-N 271.276 1.198 0 50 CDAA CC[C@@H](OC)C(=O)Nc1nnc(CCN(C)C)s1 1506407417 RWLJHLLEFVMBKO-MRVPVSSYSA-N 272.374 1.006 0 50 CDAA O=C(NC[C@H](CO)Cc1ccco1)c1ccc(O)cc1F 1361808026 DVTBPCGXEGIKNN-SNVBAGLBSA-N 293.294 1.705 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)c2ccc(=O)n(C)c2)s1 1529144314 XJCZCRACEXDJQL-SSDOTTSWSA-N 294.336 1.197 0 50 CDAA CNC(=O)c1cccnc1N[C@@H](c1ncnn1C)C(C)C 1529194805 DAMSUEZLQSJCQB-LLVKDONJSA-N 288.355 1.379 0 50 CDAA Cc1cnc(NCc2c(C)n[nH]c2C)nc1N(C)C 1529114290 PEMPDUARYAYECZ-UHFFFAOYSA-N 260.345 1.803 0 50 CDAA CC(=O)Nc1nonc1NC(=O)CCc1scnc1C 1529167826 QXKFOUNHMKDLHI-UHFFFAOYSA-N 295.324 1.364 0 50 CDAA CC1=CC[C@H]2CN(C(=O)c3nnc4nc(C)ccn34)C[C@H]2C1 214847074 COGBWLVEGBCCBU-QWHCGFSZSA-N 297.362 1.861 0 50 CDAA Cc1ccccc1CSCC(=O)N[C@H]1CCNC[C@@H]1O 216966827 WMHQDPMNOAHPGS-KBPBESRZSA-N 294.420 1.067 0 50 CDAA COc1cc2c(cc1OC)CN(CC(=O)O)CC2 4866171 KOKCWVXXMLKNQC-UHFFFAOYSA-N 251.282 1.147 0 50 CDAA biogenic,in-vitro CN(C)C(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)O)CO2 1800410581 WEOHIIXDJUWHOH-SNVBAGLBSA-N 278.308 1.060 0 50 CDAA N[C]1NC(c2ccccc2OCC(=O)O)=CS1 1738810235 TWDSTRMGWLWQHL-UHFFFAOYSA-N 251.287 1.190 0 50 CDAA Cc1cnccc1N1CCN(CC[C@H]2COCCO2)CC1 1775982531 WSARRQJZNBLPBG-HNNXBMFYSA-N 291.395 1.318 0 50 CDAA C[C@]12C[C@@H]1CN(C(=O)c1ccccc1-n1cncn1)C2 1772811849 ZBAXUUYQEWIBKG-IAQYHMDHSA-N 268.320 1.749 0 50 CDAA CO[C@H](C)CC(=O)N1CCCC[C@H]1CCC(=O)O 237179074 VBEQPFHVFNNTGS-MNOVXSKESA-N 257.330 1.657 0 50 CDAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1ccc(C)cc1 5672262 YYBAEXILLYPUQV-SNVBAGLBSA-N 271.338 1.479 0 50 CDAA CCN1CCN(C(=O)c2cc(C)ccc2C)CCC1=O 12279805 JHDWCMWLVUCENW-UHFFFAOYSA-N 274.364 1.998 0 50 CDAA CCCCNS(=O)(=O)c1cccc(C(=O)NCC)c1 12866285 SJXUPXKNLSXZFP-UHFFFAOYSA-N 284.381 1.515 0 50 CDAA CCCOc1ccc(/C=c2\sc3ncnn3c2=O)cc1 13151407 MLJRVBXFYJIPSY-WQLSENKSSA-N 287.344 1.488 0 50 CDAA CCn1nc(C(=O)NC)c2c1CC[C@H](NC1CCCC1)C2 14540030 BNEFRDUSZPPLFQ-LBPRGKRZSA-N 290.411 1.652 0 50 CDAA CN1CCC[C@@]2(CCN(C(=O)Cc3cccnc3)C2)C1=O 15078198 CEDMTAHCTPRLRD-INIZCTEOSA-N 287.363 1.095 0 50 CDAA CCOC(=O)CSc1nc2ccccc2c(=O)[nH]1 18209928 VSKGYAGUEJPPQV-UHFFFAOYSA-N 264.306 1.578 0 50 CDAA Cc1ccc(Cl)c(OCCOCCNCCN)c1 19772371 UFCOQHUJXFIYFT-UHFFFAOYSA-N 272.776 1.592 0 50 CDAA CCn1nc(C)c(CCNC(=O)c2cnccn2)c1C 19838443 JXAOPSALQHWEQN-UHFFFAOYSA-N 273.340 1.282 0 50 CDAA Oc1n[nH]c(Cn2ccnc2-c2ccnc3ccccc23)n1 1857676495 IFVUTLJJIPIXPZ-UHFFFAOYSA-N 292.302 1.970 0 50 CDAA Cc1cc(CC(=O)N[C@H]2CCCCNC2=O)cc(C)n1 1857682137 JAVMZCXEAYDZID-ZDUSSCGKSA-N 275.352 1.026 0 50 CDAA Cc1[nH]nc(O)c1CC(=O)N[C@@H](C)c1ccsc1 1857682448 KMOUFGNPOOEXRH-ZETCQYMHSA-N 265.338 1.905 0 50 CDAA CN(C)[C@H]1CCN(C(=O)[C@](C)(O)CCc2ccccc2)C1 253392249 HHICDLAAOORSGV-DOTOQJQBSA-N 290.407 1.533 0 50 CDAA COc1ccc(CCC(=O)Nc2noc(C)n2)cc1OC 1875250293 MUVAVIJVEOUKOM-UHFFFAOYSA-N 291.307 1.967 0 50 CDAA CC(C)(C)OC(=O)N1CCN(C2CCNCC2)CC1 2541483 IMFPSYLOYADSFR-UHFFFAOYSA-N 269.389 1.291 0 50 CDAA in-vitro CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(C)cc1O 436930660 XMEAJKLKRKSWLF-JSGCOSHPSA-N 279.336 1.624 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1cnn(C(C)(C)C)c1 644182038 QXTRXQLVQRKDSP-OAHLLOKOSA-N 295.383 1.704 0 50 CDAA O=C(N[C@H]1CCN(c2ccccn2)C1)[C@H]1CCCOCC1 332924337 VVZDPGAPIFXBLJ-KBPBESRZSA-N 289.379 1.593 0 50 CDAA O=C(c1ccc2ncccc2c1)N1CC[C@H](CO)[C@@H](O)C1 545281002 PHGQEPMZZPOEAL-HIFRSBDPSA-N 286.331 1.050 0 50 CDAA C[C@H]1CN(C(=O)CNC2CC2)C[C@@H](c2ccc(F)cc2)O1 237738518 RQIDDGQFWCGDHG-NHYWBVRUSA-N 292.354 1.866 0 50 CDAA C[S@](=O)c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1 136153455 PCDYYNJBHNVOAB-PRWKNARSSA-N 295.360 1.361 0 50 CDAA O=C(CC1CCOCC1)N[C@@H](C(=O)O)c1ccccc1F 678986236 PJHZNECHUSDHGI-CQSZACIVSA-N 295.310 1.884 0 50 CDAA CCn1ccnc1C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C 594409029 UBDFUKASHOPPJQ-LBPRGKRZSA-N 295.383 1.999 0 50 CDAA C=Cc1ccc(C(=O)N2C[C@@H](CO)[C@@H](CO)C2)cc1 829191989 LEFKQCXMDYOFAJ-OKILXGFUSA-N 261.321 1.002 0 50 CDAA CC1=NO[C@H](C(=O)Nc2ccc3c(C)[nH]nc3c2)C1 831575409 IYPOQBNLLUJJPW-LBPRGKRZSA-N 258.281 1.975 0 50 CDAA Cc1cc(CNC(=O)[C@]23CCCC[C@H]2OCC3)no1 930659398 LTHQFECGAYQTFY-OCCSQVGLSA-N 264.325 1.949 0 50 CDAA Cn1nc(O)c2c1CN(CCn1cc(Cl)cn1)CC2 931193915 SFBOXTGCVNMJTP-UHFFFAOYSA-N 281.747 1.034 0 50 CDAA Nc1c[nH]nc1[C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 864382544 MALAVRDWNMYGSK-MRVPVSSYSA-N 275.287 1.156 0 50 CDAA Cc1ccc2nc(Cn3cnc4c(c3=O)COCC4)cn2c1 1875365892 CWKUGBGALJHOIQ-UHFFFAOYSA-N 296.330 1.320 0 50 CDAA Brc1cnc2c(cnn2CC2OCCO2)c1 1875319495 FISACOSASKBXGL-UHFFFAOYSA-N 284.113 1.567 0 50 CDAA C=CC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 1875366508 QYMGTRZMNNJKNH-NWDGAFQWSA-N 280.393 1.812 0 50 CDAA C[C@H]1Cn2nc(C(=O)Nc3ccc4c(c3)CCO4)cc2CN1 1772203670 IMNATNSXTHWECT-JTQLQIEISA-N 298.346 1.562 0 50 CDAA CCc1nc2c(C(=O)N3C[C@@H]4CC[C@]4(N)C3)ccnc2[nH]1 1775961401 YGBUQWPFFZDPNN-VFZGTOFNSA-N 285.351 1.084 0 50 CDAA COCC1(c2noc(-c3cccc4nc(O)[nH]c34)n2)CC1 897055380 RYMLKOPVPCFXTG-UHFFFAOYSA-N 286.291 1.997 0 50 CDAA CCN1CCN(CC(=O)Nc2ccc(C)cc2C)CC1 20608835 MSHGPKJJGWIGFI-UHFFFAOYSA-N 275.396 1.879 0 50 CDAA C[C@H](O)CN1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 285549965 MFULOCXKLDGBSV-DOTOQJQBSA-N 274.408 1.965 0 50 CDAA CN(C)CC[C@@H]1CCCCN1Cc1cccnc1N 72462515 FUYXUUSJJDUCMK-AWEZNQCLSA-N 262.401 1.970 0 50 CDAA CCCN1CCCN(C(=O)CCc2cn[nH]c2)CC1 584887292 UGXSOPFZLFCGJY-UHFFFAOYSA-N 264.373 1.287 0 50 CDAA COCCCn1c(N2CC[C@H]3C[C@@H]3C2)nnc1C(C)(C)O 2325769399 MWZHTJSQPPOPCG-NWDGAFQWSA-N 294.399 1.388 0 50 CDAA CC(C)Cn1cc(CN2CC[C@@](O)(c3cc[nH]n3)C2)cn1 2325775577 MBMWDDKFSNAXAZ-HNNXBMFYSA-N 289.383 1.356 0 50 CDAA C[C@@H]1CC2(CO1)CC(NC(=O)C[C@H]1CCCNC(=O)C1)C2 2325781079 IVYIJPMKLQEAJU-MAHYQRQESA-N 294.395 1.367 0 50 CDAA Cc1nc(Cn2ccnc2CO)nc2ccccc12 2325879614 AWAIJWHYXKCHIM-UHFFFAOYSA-N 254.293 1.675 0 50 CDAA COc1ccc2[nH]c(C(=O)O)c(CCNC(C)=O)c2c1 112920 JISUWGUTYVGVCN-UHFFFAOYSA-N 276.292 1.553 0 50 CDAA biogenic O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccccn1 114589 NLLQTXYPBUKVLO-OAHLLOKOSA-N 268.272 1.494 0 50 CDAA CC(=O)Nc1ccc(OC(=O)N2CCOCC2)cc1 152093 YBQWOVMEUBPGFM-UHFFFAOYSA-N 264.281 1.476 0 50 CDAA OCCN(CCO)C1CCC(c2ccccc2)CC1 221002 OQNRWILIOOJETL-UHFFFAOYSA-N 263.381 1.999 0 50 CDAA O=C(Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1 444362 BQVJLSSHPPYYDV-UHFFFAOYSA-N 272.348 1.310 0 50 CDAA Cn1nnc(NC(=O)c2ccccc2Br)n1 558129 JYCAGHLOGOWJDS-UHFFFAOYSA-N 282.101 1.225 0 50 CDAA COc1ccc(-c2cc(-c3nnc(N)o3)no2)cc1 615374 NDZPQBOFLDBDAJ-UHFFFAOYSA-N 258.237 1.982 0 50 CDAA C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)O 1473232 OYWVWLMGRUMNDR-JTQLQIEISA-N 273.288 1.808 0 50 CDAA O=C1NCCC[C@]12CCCN2Cc1cnc2ccccn12 2356139623 GKCPANAQEQVRGC-INIZCTEOSA-N 284.363 1.579 0 50 CDAA O=C(Cn1c(=O)oc2ccccc21)NCc1ccco1 2927531 HYHFDKWGFANMMO-UHFFFAOYSA-N 272.260 1.504 0 50 CDAA CS(=O)(=O)Cc1ccc(-c2ccc(CCN)cc2)nc1 2356166006 SLCBTGGGGAFDDX-UHFFFAOYSA-N 290.388 1.794 0 50 CDAA CCOC(=O)CCC(CCC(=O)OCC)C(=O)OCC 4786871 NYUHDOGHVKWGSO-UHFFFAOYSA-N 288.340 1.852 0 50 CDAA CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 6730759 GPGBRQVFFZMNKI-GXFFZTMASA-N 296.392 1.968 0 50 CDAA CC1(C)[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21 100162643 KRWNMSSUYLJMJW-UWVGGRQHSA-N 259.261 1.530 0 50 CDAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 101710713 DJHCEILBTIOMCI-FCIDVOKBSA-N 299.326 1.993 0 50 CDAA CCC(CC)n1nc(C)cc1NC(=O)c1ncn[nH]1 55211682 KRPIWSIONKGTSG-UHFFFAOYSA-N 262.317 1.923 0 50 CDAA COc1cc(CN2CCc3nncn3CC2)ccc1O 20600350 WEPNYWQUVDUXSX-UHFFFAOYSA-N 274.324 1.051 0 50 CDAA CC(=O)c1c(C)nn(CC(=O)N[C@@H]2CCSC2)c1C 20916693 DWOCDIPUDCWIJE-LLVKDONJSA-N 281.381 1.324 0 50 CDAA CC[C@H](C)OCC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O 330602017 ZRKXHHKMHGDDPB-AYDFFVQHSA-N 299.411 1.580 0 50 CDAA CCCC(=O)C(=O)N(Cc1ccccn1)[C@H](CC)CO 63882566 LUVAEVXMVWCHHF-CYBMUJFWSA-N 278.352 1.550 0 50 CDAA CCOc1ccc(C(=O)CCC(=O)N[C@H](C)CO)cc1C 63833716 ALOREGAMYSMISH-GFCCVEGCSA-N 293.363 1.854 0 50 CDAA Cc1cnc(N2CCOC[C@H]2C)nc1N1CCOC[C@H]1C 252512529 RYGXIYOFSHPSEM-CHWSQXEVSA-N 292.383 1.235 0 50 CDAA O=C1CCC(=O)N1CC(=O)N1CCCc2ccccc21 264155 RIXXFPKJHHQTKT-UHFFFAOYSA-N 272.304 1.115 0 50 CDAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCO[C@@H](CO)C1)C2 252515934 OQPWIAJQQVYFLH-ZWUHOBOKSA-N 296.411 1.604 0 50 CDAA CN(C)c1cccc(-c2cc3nncn3c(N)n2)c1 215039751 HHAFSQOUMCJANX-UHFFFAOYSA-N 254.297 1.440 0 50 CDAA CC1(C)[C@@H](OC(=O)[C@H]2C[C@H]2[N+](=O)[O-])[C@H]2CCCO[C@H]21 252673372 RCHHDPCLUZXANB-DAWVFNFOSA-N 269.297 1.398 0 50 CDAA Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1 1430106 HDZWCWWVZVJHML-UHFFFAOYSA-N 271.729 1.874 0 50 CDAA COC[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 215473031 CKTUCHUTVOVUDT-ZDUSSCGKSA-N 263.337 1.926 0 50 CDAA CN1CCC(CCNC(=O)COc2ccccc2)CC1 71376389 TWVRCAPUPWIWLI-UHFFFAOYSA-N 276.380 1.914 0 50 CDAA CS(=O)(=O)[C@H]1CCN(C(=O)c2cccnc2C2CC2)C1 328661123 WMYPTRZQSBVRFM-NSHDSACASA-N 294.376 1.218 0 50 CDAA O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccncc1F 330295783 FVVQGFDXIHMPQO-DGCLKSJQSA-N 292.310 1.431 0 50 CDAA Cc1ncoc1C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O 330333467 YIEGHCDDRDSDNB-WDEREUQCSA-N 278.308 1.193 0 50 CDAA O=C(NC[C@]1(O)CCCNCC1)c1ccc2ncccc2c1 72128439 UCVMKGNJOQWRMU-KRWDZBQOSA-N 299.374 1.469 0 50 CDAA CC(C)C1=NO[C@@H](C(=O)N(C)Cc2ncc[nH]2)C1 216201751 LZGVXMUPHSJPBZ-SNVBAGLBSA-N 250.302 1.169 0 50 CDAA CCCC[C@@H]1C=CCN1C(=O)CN1C(=O)NC(C)(C)C1=O 71707779 KLXGOUUJHIELAB-LLVKDONJSA-N 293.367 1.274 0 50 CDAA CN(C)c1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cn1 332483030 YWYBPXCKGUOPKV-UHFFFAOYSA-N 299.378 1.891 0 50 CDAA COc1c(F)ccc(CN2C[C@@H]3CN(C)C[C@@H]3C2)c1F 214970374 ONACMYUEVLVWHV-TXEJJXNPSA-N 282.334 1.967 0 50 CDAA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2ccon2)c1 282432883 JCAIFARDNKTQGG-BXUZGUMPSA-N 288.303 1.631 0 50 CDAA O=C(C1CC=CC1)N1CCN(CC(F)(F)F)CC1 76955989 VTMBAPZJRVDUGA-UHFFFAOYSA-N 262.275 1.659 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)C1CCC1 219419382 NDVXLCCEFTWGQO-HUUCEWRRSA-N 290.363 1.672 0 50 CDAA O=C(c1cccnc1C1CC1)N1CC(O)(C2CC2)C1 333110933 FIJXYVZOMVYZOU-UHFFFAOYSA-N 258.321 1.556 0 50 CDAA CCN1CC[C@H](N(C)C(=O)CCC2CCNCC2)[C@@H](C)C1 236905178 ORPMDLQGPOTXDM-HOCLYGCPSA-N 295.471 1.955 0 50 CDAA CNCC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 237192613 TYKUFCTYEUVOKF-HZMBPMFUSA-N 250.317 1.955 0 50 CDAA COc1cccc2c(N3CC[C@@]4(CNC(=O)C4)C3)nccc12 333677968 KMBAKMBZMRTMOW-QGZVFWFLSA-N 297.358 1.960 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)C[C@@H](C)O1 157896234 CAJSRNOXACEBJT-WRWGMCAJSA-N 269.341 1.513 0 50 CDAA CCc1nccn1CCNC(=O)[C@@H](O)Cc1ccccc1 219817463 NQTQEOUJVSYUSF-AWEZNQCLSA-N 287.363 1.165 0 50 CDAA CN1C(=O)CC[C@@H]1C(=O)NCc1ncoc1-c1ccccc1 376851335 XDCQGJSTUJGABU-CYBMUJFWSA-N 299.330 1.579 0 50 CDAA O=C(O)[C@@H](O)[C@H](O)c1ccc(Cl)cc1Cl 71766163 OJZQXHMKUVIAIM-SFYZADRCSA-N 251.065 1.472 0 50 CDAA CN1CC[C@H]2CN(C(=O)c3ccn(C(F)F)n3)C[C@H]21 77437290 BQLZDVFIEXXKSY-WCBMZHEXSA-N 270.283 1.054 0 50 CDAA Cc1nn(C)c(N)c1C(=O)NC[C@@H]1CCCC1(C)C 335309103 AVGABROACMJHFP-JTQLQIEISA-N 264.373 1.867 0 50 CDAA O=C(NCCc1nc2c(s1)CCC2)c1cccnc1O 219802509 RAKXTFAJAHHBKQ-UHFFFAOYSA-N 289.360 1.705 0 50 CDAA CC1=NNC(=O)[C@H]1CCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 524386920 QKISNCFETBRYRR-CYDGBPFRSA-N 277.368 1.441 0 50 CDAA C[C@H]1CCN(C(=O)N2CC[C@@H](CN3CCCC3)C2)C1 336366529 YXMUNYIOQPGRSJ-KBPBESRZSA-N 265.401 1.866 0 50 CDAA C[C@@H]1C(=O)OC[C@@H]1C(=O)N1CCC[C@H](CN2CCCC2)C1 43144596 RADYVFJDGDWEBN-MJBXVCDLSA-N 294.395 1.130 0 50 CDAA Cc1[nH]ncc1C(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 284685310 NLCHBABESRUBAY-HNNXBMFYSA-N 298.390 1.717 0 50 CDAA Cc1cccnc1CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O 284745544 VCFUVHYHHZBLSK-FVQBIDKESA-N 276.380 1.752 0 50 CDAA CCc1cc(C(=O)NC(C)(C)CN2CCCC2)n[nH]1 457015678 AXJVVZPAPVQSFS-UHFFFAOYSA-N 264.373 1.576 0 50 CDAA Cc1ccc(C2(C(=O)N3CC[C@@H](N)C3)CCOCC2)cc1 132382087 INUOJSOYAPTSJO-OAHLLOKOSA-N 288.391 1.603 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 457852464 DSXNQETVGRHXBU-XQQFMLRXSA-N 254.374 1.545 0 50 CDAA O=C(NC1CCCC1)C1CCC(Cn2cnnn2)CC1 40287986 WVLDAICJGRCWRO-UHFFFAOYSA-N 277.372 1.538 0 50 CDAA C[C@H](C(=O)NCCc1cnccn1)n1cc(Cl)cn1 220672990 HSQGJWSQGFAIFD-SECBINFHSA-N 279.731 1.246 0 50 CDAA C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 195216680 DSCHBCQMNYRQCC-VIFPVBQESA-N 290.319 1.364 0 50 CDAA Cc1cc(N2CCC[C@@H](c3nccn3C)C2)nc(N)n1 82134402 BSTNRANYZIAVEM-LLVKDONJSA-N 272.356 1.485 0 50 CDAA COCCCn1cnnc1CNC(=O)c1cc(Cl)c[nH]1 426486024 GIQMQCGWZLOSSV-UHFFFAOYSA-N 297.746 1.226 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(Cl)cn1 223678229 QYGSDECLVHUHLS-YGNMPJRFSA-N 296.754 1.515 0 50 CDAA Cc1nonc1OCCNC(=O)CCC(C)(C)C 426362117 ZBLINZIPZMJELW-UHFFFAOYSA-N 255.318 1.699 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CC[C@H](CN)C1 178532854 HYSSWHKUWSZVBA-SNVBAGLBSA-N 265.357 1.149 0 50 CDAA Cc1nccn1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 426370177 BCLLETSQJYUVHT-ZDUSSCGKSA-N 287.319 1.004 0 50 CDAA CCc1nnc(CN(CC)C(=O)NC[C@H]2CCCO2)o1 426632881 NADMVWAEMMQZPH-SNVBAGLBSA-N 282.344 1.343 0 50 CDAA Cc1ncsc1CCN(C)C(=O)CN1C(=O)CC[C@H]1C 95530199 QBJXTSHBXQJYPU-SNVBAGLBSA-N 295.408 1.463 0 50 CDAA CCOCCO[C@H]1CCN(C(=O)c2cnc(C)s2)C1 178852257 FGTZDGFWPLMZOO-NSHDSACASA-N 284.381 1.719 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1N 92078980 KZUZKIIRQUYNIZ-OLZOCXBDSA-N 274.368 1.409 0 50 CDAA O=S(=O)(NC[C@H]1CCOc2ccccc2C1)C1CC1 97088207 QZJHCGNBKLRZPU-NSHDSACASA-N 281.377 1.710 0 50 CDAA O[C@H]1[C@H]2C[C@@H]3[C@@H]4[C@@H]2C[C@H]([C@@H]4O)N(Cc2ccccc2)[C@@H]13 238882213 CSTMMPKXAKSWAE-PDGARSKASA-N 271.360 1.247 0 50 CDAA COCCCN1CC[C@H](CNc2cc(C)nc(N)n2)C1 91441418 TUGAMXWRYFILPP-GFCCVEGCSA-N 279.388 1.138 0 50 CDAA Cc1nc(CCc2cn[nH]c2)n(CC(F)(F)F)n1 96130262 BWVPHXCOOZSMSC-UHFFFAOYSA-N 259.235 1.657 0 50 CDAA c1nc(CN2C[C@@H]3CC[C@H]2C3)n(-c2ccc3c(c2)OCO3)n1 91586096 NXRFMWNMDSCBQB-NEPJUHHUSA-N 298.346 1.980 0 50 CDAA CCOCCNC(=O)[C@@H]1CCOc2ccccc2C1 97217511 KCRIARDYDQRCGR-CYBMUJFWSA-N 263.337 1.781 0 50 CDAA CC[C@@H](C(=O)N1CCC(n2cnnc2)CC1)n1cccn1 91655950 NWUNJKKUZCAJES-ZDUSSCGKSA-N 288.355 1.289 0 50 CDAA Cc1ccc(N2C[C@H]3[C@H]4[C@H]5C[C@H]3[C@@H](O)[C@H]5O[C@H]42)cc1 238900240 IDOOXBNMGJXFAS-DEBNCQAFSA-N 257.333 1.783 0 50 CDAA CN[C@]1(c2c(C)nn(C)c2Cl)CCCCC1=O 96027604 QHRBVXHGXFGVCH-GFCCVEGCSA-N 255.749 1.940 0 50 CDAA CC[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cc[nH]n1 244652006 GYCIRYWTACSWLY-NSHDSACASA-N 252.362 1.535 0 50 CDAA C[C@H]1CN(c2ncnc3cc(Cl)ccc23)CC(=O)N1 295664823 FLYSFDKZJFBYPO-QMMMGPOBSA-N 276.727 1.608 0 50 CDAA CCOCC(=O)N1C[C@@H](C)O[C@@H](c2nc(C3CC3)no2)C1 623173639 ZPVDWTFHHIDUQW-MWLCHTKSSA-N 295.339 1.272 0 50 CDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)O 299745940 UEQRJEIOZSWZMW-SDDRHHMPSA-N 285.340 1.036 0 50 CDAA COc1c[nH]c(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1=O 524733982 KFXGNAZCPPVPFC-UHFFFAOYSA-N 298.302 1.821 0 50 CDAA O=C(CC1(O)CCCCC1)N1CCO[C@]2(CCOC2)C1 183827266 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Cc1nccn1C[C@H]1CCCN1C(=O)CC1(O)CCC1 1615621930 DGOSJINGVLWTQA-CYBMUJFWSA-N 277.368 1.488 0 50 CDAA CO[C@H]1CCC[C@@H]1CNC(=O)c1cnn2ccc(N)cc12 1615614865 LXZPXKXFONUQMQ-YGRLFVJLSA-N 288.351 1.461 0 50 CDAA COc1cccc(CCC(=O)N2CC[C@@H](N)C[C@@H]2C)c1 237374942 VCKLFEXGHHJYGI-GXTWGEPZSA-N 276.380 1.966 0 50 CDAA CSCC(=O)N(Cc1c(C)nn(C)c1C)C1CC1 1506427089 VBZLWMTZCJTKCK-UHFFFAOYSA-N 267.398 1.891 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)Cc2[nH]cnc2C)c1 1857705047 PSDUULZPWWGBSM-UHFFFAOYSA-N 272.352 1.931 0 50 CDAA Cc1ccn2c(NC(=O)c3ccc(CCN)cc3)nnc2n1 1529167832 RBQOSDAKDBGFNT-UHFFFAOYSA-N 296.334 1.186 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)c(O)n1 408333577 GDNQZVDLIZKFFJ-ZJUUUORDSA-N 250.298 1.849 0 50 CDAA CS(=O)(=O)C1CN(Cc2cnc3ccc(Cl)cn23)C1 418084196 PKKQIHLIWDEEDH-UHFFFAOYSA-N 299.783 1.217 0 50 CDAA COc1ccccc1O[C@H](C)C(=O)N1CCOCC1 8040647 SIYNFRZCAOOUCP-LLVKDONJSA-N 265.309 1.321 0 50 CDAA Cn1cc(Cn2cc(CCN3CCCCC3)nn2)cn1 656446458 QJCQEXJHYOKNNN-UHFFFAOYSA-N 274.372 1.088 0 50 CDAA CC(=O)N1CCN(C(=O)[C@@H](C)Sc2ccoc2C)CC1 131544391 DQHZSASBSRHYDD-LLVKDONJSA-N 296.392 1.759 0 50 CDAA Cn1cccc1C(=O)NCC1(C(=O)O)CCCCC1 137988029 VBBIJCQPOWJCHS-UHFFFAOYSA-N 264.325 1.790 0 50 CDAA CS(=O)(=O)c1ccc(-c2nc(-c3ccon3)no2)cc1 357377874 QNIAFGCKORFQKN-UHFFFAOYSA-N 291.288 1.795 0 50 CDAA CCOCC1CCN(C(=O)C2(C(=O)O)CC2)CC1 118973246 AEJMISCSIKZXJP-UHFFFAOYSA-N 255.314 1.126 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1cccc(F)c1O 1772815653 XKAAIYRDIBSCTH-UHFFFAOYSA-N 286.266 1.733 0 50 CDAA CCn1cc(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)cn1 1775981673 CDDDSUXALDYBJC-CQSZACIVSA-N 292.427 1.982 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 5050301 BMPMCEJUODXJTL-ZCFIWIBFSA-N 257.648 1.917 0 50 CDAA CC(C)CCC[C@H]1CN(C(=O)CCC(=O)N(C)C)CCO1 12057330 MHVPSWLNTWGLJY-AWEZNQCLSA-N 298.427 1.909 0 50 CDAA COc1ccc(S(=O)(=O)NC(C)C)cc1NC(C)=O 7667646 FXPPZCFDMGJNLD-UHFFFAOYSA-N 286.353 1.340 0 50 CDAA CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)n2ncnc2N1 13132005 PNTSMIHHTLIOPG-ZDUSSCGKSA-N 299.334 1.914 0 50 CDAA CN(c1ccc(OCc2ccon2)cc1)S(C)(=O)=O 15108520 ADTZETZVGTZAAM-UHFFFAOYSA-N 282.321 1.649 0 50 CDAA COc1cccc(C(=O)NCCN2CCCCC2)c1OC 16602569 VOYWOSKPFUILDS-UHFFFAOYSA-N 292.379 1.920 0 50 CDAA Cc1cccc(OCCOCCNCCN)c1C 19772571 AWICDFZLODXSJW-UHFFFAOYSA-N 252.358 1.247 0 50 CDAA Cc1cn2nnc(C(=O)NC3CCC(C)CC3)c2c(=O)[nH]1 169776609 BQOZFOBOVLUYLW-UHFFFAOYSA-N 289.339 1.035 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCn3nccc3C1)C2 1857728272 USTNKADWHWGVIB-GFCCVEGCSA-N 282.347 1.691 0 50 CDAA Cc1cc(C(=O)NCCc2ccc(C(=O)O)cc2)ncn1 539574138 SFOSQWKYMZPLMV-UHFFFAOYSA-N 285.303 1.456 0 50 CDAA CCCn1nccc1C(=O)N[C@@H]1CCCn2ncnc21 612077025 QETCJVXHLKLHFZ-SNVBAGLBSA-N 274.328 1.150 0 50 CDAA CN1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C[C@H]2C1 413766686 ZYOFETBRKFRORK-QXSJWSMHSA-N 270.376 1.810 0 50 CDAA CC(C)(C)c1nnc2ccc(NC[C@H]3CC[C@H](O)C3)nn12 225491034 NNJDXNUYGQSQEJ-QWRGUYRKSA-N 289.383 1.995 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)NCc2ccco2)cc1 3142619 NKRADFUIPKZARM-UHFFFAOYSA-N 294.332 1.776 0 50 CDAA in-vitro N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1cnc2ccccc2c1 314246388 RYTZLNHVMMXQCK-ATGSNQNLSA-N 283.331 1.079 0 50 CDAA Cc1c(NC(=O)N[C@](C)(CO)C2CCCCC2)nnn1C 333442249 WHAUNJJORMVYTQ-CQSZACIVSA-N 295.387 1.576 0 50 CDAA C[C@H](CN(C)C(=O)[C@@H]1Cc2cccc(F)c2O1)C(=O)O 237560793 IGGOOEMOTPEIRE-KCJUWKMLSA-N 281.283 1.308 0 50 CDAA Cn1cnc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)c1 653328164 FHODRNQHSIGEKB-VXGBXAGGSA-N 285.303 1.463 0 50 CDAA O=C1CCCC[C@@H](C(=O)N2CC[C@@H]2Cc2ccccc2)N1 336318368 FVFFAXZWZRUUHF-CABCVRRESA-N 286.375 1.889 0 50 CDAA N[C@@H]1CCN(C(=O)CN2CCOc3ccc(Cl)cc32)C1 132639049 ZBSXLIZGNMNDNZ-LLVKDONJSA-N 295.770 1.098 0 50 CDAA CCCOCC(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 372340287 RIJWICBCKQDYPJ-QLPKVWCKSA-N 288.391 1.660 0 50 CDAA COCc1nc(C)cc(=NCCc2ccc(F)cn2)[nH]1 585092227 KFFIGHRUOFSMLI-UHFFFAOYSA-N 276.315 1.542 0 50 CDAA COC(=O)C1(COc2ccc3oc(C(N)=O)nc3c2)CC1 585123097 VEASHWLRVJZXCJ-UHFFFAOYSA-N 290.275 1.259 0 50 CDAA Cc1nc(O)c2c(n1)CN(Cc1snnc1C)C2 931313378 HSIUDZVPGIPELO-UHFFFAOYSA-N 263.326 1.166 0 50 CDAA O=C(c1ccccc1-n1cccc1)N1C[C@@H](O)C[C@@H](O)C1 933956233 WNSRFYKGLSMWQP-BETUJISGSA-N 286.331 1.045 0 50 CDAA O=C(O)Cc1cccc(S(=O)(=O)N[C@H]2C=CCC2)c1 849332600 RNMBBEYLQIIVNC-NSHDSACASA-N 281.333 1.311 0 50 CDAA CCOC[C@H]1CCN(C(=O)Nc2cnc(C)cn2)C1 952884897 PQZGXADBAOACOY-NSHDSACASA-N 264.329 1.675 0 50 CDAA C[C@H]1CN(c2cnc(Cl)cn2)C[C@@H]1N1CCOCC1 952995325 IRCSADCXBZCKGQ-QWRGUYRKSA-N 282.775 1.287 0 50 CDAA Cc1nnc(C(=O)NC[C@@H](O)c2ccc(O)cc2)s1 1875282506 HXZCEAPMTJGNDQ-SNVBAGLBSA-N 279.321 1.016 0 50 CDAA O=C(N[C@@H]1COCc2ccccc21)[C@H]1CC(C2CC2)=NO1 1875294266 PRDINPHWUPFHBM-HUUCEWRRSA-N 286.331 1.929 0 50 CDAA Cc1nn(CCO)c2ncc(C(=O)N3CCC3(C)C)cc12 1875321913 AUJJRQIZXFBARM-UHFFFAOYSA-N 288.351 1.357 0 50 CDAA Cc1cc(C)c(C(=O)NCCN2CCNC2=O)cc1C 1875309172 VYMQSBUDSMGPCR-UHFFFAOYSA-N 275.352 1.367 0 50 CDAA C[C@H](C(=O)NS(C)(=O)=O)c1cc2ncccc2o1 1875382693 MFGAUMRENQENKX-ZETCQYMHSA-N 268.294 1.007 0 50 CDAA C=CC(=O)N(CC)CC(=O)NC1(c2ccccc2)COC1 888563091 BYMIBKDBIHZEQO-UHFFFAOYSA-N 288.347 1.063 0 50 CDAA CC(C)(C)n1ncc2c(N[C@H]3Cc4cncn4C3)ncnc21 894996726 PNKDYTGENBTGDK-JTQLQIEISA-N 297.366 1.815 0 50 CDAA CN1CCN(C(=O)[C@H]2NCc3n[nH]cc32)Cc2ccccc21 1775985285 IJCRFUDBVIEKDF-HNNXBMFYSA-N 297.362 1.033 0 50 CDAA O=C(O)c1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)s1 263196237 LVHZHZOOEJZYEC-FKTZTGRPSA-N 281.333 1.630 0 50 CDAA Cc1ccc([C@@H]2CN(C(=O)c3cn[nH]c3C)CCO2)o1 179342629 ZZDXOCGBVJIGPB-ZDUSSCGKSA-N 275.308 1.833 0 50 CDAA COC[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCN2 646157368 SBMCPUHTLWHMHW-ZDUSSCGKSA-N 260.337 1.906 0 50 CDAA COCCOC1CCN([C@@H](C)C(=O)N2CCCC2)CC1 670452007 GNQNMINSOSRFRN-ZDUSSCGKSA-N 284.400 1.125 0 50 CDAA CC(C)(C)c1nnc(Cn2cc(S(C)(=O)=O)cn2)o1 901606419 DTOWOOHJHRPMPU-UHFFFAOYSA-N 284.341 1.015 0 50 CDAA CC1(S(=O)(=O)NC[C@H]2Cc3ccccc3CN2)CC1 721072160 IYAFJTSFNLEGET-CYBMUJFWSA-N 280.393 1.173 0 50 CDAA Cc1ccn2c(C(=O)N=c3cc(C4CCC4)[nH][nH]3)nnc2n1 2100557487 VHVZBWNLENKDTR-UHFFFAOYSA-N 297.322 1.098 0 50 CDAA O=C(c1cn(CCC2CC2)nn1)N1CCC[C@]12CCOC2 2325790156 SMULFYMZVNVBDC-OAHLLOKOSA-N 290.367 1.473 0 50 CDAA O=C(NCC1CCOCC1)c1n[nH]cc1-c1ccncc1 2325797991 DWFHKAGQXCVCJD-UHFFFAOYSA-N 286.335 1.628 0 50 CDAA O=C(NCC(=O)C1CC1)c1n[nH]cc1-c1ccncc1 2325798012 GYFABOLENSVVJG-UHFFFAOYSA-N 270.292 1.181 0 50 CDAA COc1cc(C(=S)N2CCOCC2)ccc1OC(C)=O 51284 DEZXTMQBVMICHQ-UHFFFAOYSA-N 295.360 1.628 0 50 CDAA CCC1=NN(C(=O)c2ccncc2)[C@@](O)(C(F)(F)F)C1 133948 COZFSDSZAIONRT-NSHDSACASA-N 287.241 1.944 0 50 CDAA O=C(c1ccc2c(c1)OCO2)n1nnc2ccccc21 168641 GKBXJOCPZBRUIG-UHFFFAOYSA-N 267.244 1.849 0 50 CDAA Cc1ccc(S(=O)(=O)NCc2ccc(C=O)o2)cc1 615559 VFKLNNNTDQGBDC-UHFFFAOYSA-N 279.317 1.879 0 50 CDAA CC(C)(C)n1nc(CC(N)=O)nc1-c1ccc2cc[nH]c2n1 2356136759 IGLHKQJJOKFHLW-UHFFFAOYSA-N 298.350 1.604 0 50 CDAA CCn1ccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)n1 2356140653 NPJDNNLXTOPZIW-INIZCTEOSA-N 299.378 1.746 0 50 CDAA Oc1cccnc1Nc1nccc(N2CCC[C@@H](O)C2)n1 2356145900 MHKIDCMAPFWGKL-SNVBAGLBSA-N 287.323 1.282 0 50 CDAA Cn1ccc(C(=O)Nc2ccc3c(c2)OCCO3)n1 2746983 ZECFPGIWQUBGSO-UHFFFAOYSA-N 259.265 1.444 0 50 CDAA Cc1ccn(CN2CCN(Cn3ccc(C)n3)C2=S)n1 2894231 PGUYFJWNVPDKPX-UHFFFAOYSA-N 290.396 1.214 0 50 CDAA CN(C(=S)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1 4305095 GLPROGXZGAGHSP-JTQLQIEISA-N 290.454 1.313 0 50 CDAA Cc1cc(CNC(=O)c2cc3ccccc3oc2=O)nn1C 4804841 MDZSMRJSEYFCHN-UHFFFAOYSA-N 297.314 1.765 0 50 CDAA CCc1nnc(S[C@H](C)C(=O)Nc2nccs2)n1C 6701923 XKCBRSQUFUPJBQ-SSDOTTSWSA-N 297.409 1.953 0 50 CDAA Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)O)c1 7871730 KRXDTLGLJWDPFI-QMMMGPOBSA-N 264.310 1.536 0 50 CDAA CCNC(=O)C[C@@H]1CCCCN1Cc1nc(C2CC2)n[nH]1 342063051 OEXMUMAMEPWOIG-LBPRGKRZSA-N 291.399 1.563 0 50 CDAA CCN(C[C@H](C)C(=O)O)C(=O)/C=C/c1ccncc1 225550887 MJCVNSHWBZIBGM-ZWNMCFTASA-N 262.309 1.664 0 50 CDAA Cn1nnc2cc(C(=O)NCCCc3ccccn3)ccc21 20863245 CYBQBMTWEQHARE-UHFFFAOYSA-N 295.346 1.726 0 50 CDAA CCCN(Cc1ccccc1OC)C(=O)[C@@H]1C=CCN1 55254395 NXQSNLDHJBOWTD-AWEZNQCLSA-N 274.364 1.962 0 50 CDAA COC(=O)c1n[nH]c2c1[C@H](CCSC)CC(=O)N2 65407249 VAZNYAUFEAEPEB-ZCFIWIBFSA-N 269.326 1.375 0 50 CDAA CC(C)c1cc(C(=O)N2CCc3[nH]ncc3C2)no1 20909444 ASRMXNGSUFZCKI-UHFFFAOYSA-N 260.297 1.720 0 50 CDAA CC(=O)N(C)[C@H]1CCN(C2CCC3(CCNCC3)CC2)C1 67964889 NLYCVHDUVNOERV-INIZCTEOSA-N 293.455 1.851 0 50 CDAA C[C@@H](CN(C)C(=O)c1ccnc(Cl)c1)N1CCOCC1 20256521 CSYMDRMYRVRAQK-NSHDSACASA-N 297.786 1.528 0 50 CDAA CCc1ncc2c(n1)CN(C(=O)c1[nH]cnc1C)C2 67695210 FJLWFRCUGVXOJT-UHFFFAOYSA-N 257.297 1.227 0 50 CDAA CCOc1cccc(CN2CC[C@H](O)C[C@@H]2C(=O)O)c1O 65408555 HUZGFZOQISOVLU-NWDGAFQWSA-N 295.335 1.201 0 50 CDAA CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N[C@H]1C[C@@H](C)OC1=O 252678622 GKCAGQWZLZMQEY-MQYQWHSLSA-N 296.411 1.563 0 50 CDAA COc1ccc(CCc2nc(-c3nonc3N)no2)cc1 34357 STCVSJJETPHJPP-UHFFFAOYSA-N 287.279 1.496 0 50 CDAA COc1ccc(-c2nc(-c3nonc3N)no2)cc1OC 89343 JMBYYLWFPCBVGT-UHFFFAOYSA-N 289.251 1.386 0 50 CDAA COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1OC 139018 VVYKDOVBUSRSCZ-GZMMTYOYSA-N 269.322 1.492 0 50 CDAA biogenic CC1=NN(C(=O)c2cc(C)n(C)n2)[C@@](O)(C(F)(F)F)C1 1012139 BAMPRTKDGDTSRS-JTQLQIEISA-N 290.245 1.201 0 50 CDAA O=c1c2ccccc2ncn1CCN1CCCC[C@H]1CO 32560989 OZWADIQAZMHKKL-ZDUSSCGKSA-N 287.363 1.243 0 50 CDAA CC(=O)N1CCC2(CC1)NC(=O)N(c1ccccc1)N2 1431710 UEBLNYKTYORODX-UHFFFAOYSA-N 274.324 1.059 0 50 CDAA C[C@@H](C1CCN(Cc2ncc[nH]2)CC1)N1CCN(C)CC1 77505086 YKVXXBRCHRPUHM-AWEZNQCLSA-N 291.443 1.258 0 50 CDAA CCc1cc(N2CC[C@@H](O)C2)n2nc(C)c(C)c2n1 72476916 VRGDXPAOERVURR-GFCCVEGCSA-N 260.341 1.480 0 50 CDAA COc1ccc(S(=O)(=O)/N=c2/cc(C)cc[nH]2)cc1C 36638854 NEXAVHIZTLYTHS-UHFFFAOYSA-N 292.360 1.930 0 50 CDAA Cc1nnc([C@H](C)OC(=O)c2cccc3[nH]c(=O)oc23)o1 128746529 NTLIFKCGTLAEAU-LURJTMIESA-N 289.247 1.731 0 50 CDAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1CSCN1 153558182 IQUSMIGUMZBLJY-QWRGUYRKSA-N 286.784 1.152 0 50 CDAA CCOC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 39249929 WZFOBUJYPANZMG-CQSZACIVSA-N 263.337 1.841 0 50 CDAA C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@H](CN)CO 328599775 UDFKUKQJFYLAOM-NXEZZACHSA-N 286.322 1.442 0 50 CDAA Cc1c(C(=O)N2CCNC[C@H]2C)cnn1C(C)(C)C 124512481 UQSGYHGSBDSFIM-SNVBAGLBSA-N 264.373 1.380 0 50 CDAA O=C1NCCC[C@H]1N1CC[C@@]2(CCc3ccccc3O2)C1 336008521 CKABMTVFJUMRHP-PBHICJAKSA-N 286.375 1.735 0 50 CDAA C[C@H](NC(=O)/C=C/CN(C)C)[C@@H]1CCCN(C2CCC2)C1 492446348 JALOTOMAJLYXSP-SZVFQDTKSA-N 293.455 1.873 0 50 CDAA O=C(Cc1ccccc1Cl)N1CCC[C@](O)(CO)CC1 72157164 UNUIAWWWVGDWFN-OAHLLOKOSA-N 297.782 1.618 0 50 CDAA CN1CC2(CCN(CCCn3cccc3)CC2)OC1=O 77471369 QPKSBDWUQQEVLL-UHFFFAOYSA-N 277.368 1.795 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)c1cncc2ccccc12 262796796 QSRSRTWJOUREBK-ZDUSSCGKSA-N 286.287 1.160 0 50 CDAA O=C(O)[C@H]1C[C@@H](O)CCN1CCCc1ccccc1 65420685 KYCXHONMJYRTCT-UONOGXRCSA-N 263.337 1.529 0 50 CDAA CC(C)=CCO[C@H]1CCOC[C@H]1NS(=O)(=O)C1CC1 219655832 VGCRYZROJKKECG-OLZOCXBDSA-N 289.397 1.209 0 50 CDAA CC(=O)c1cc(CN(C)C[C@H]2COCCO2)cs1 215797588 LLEVIKBEOMAKBG-LBPRGKRZSA-N 269.366 1.798 0 50 CDAA CO[C@H]1CN(c2ncnc3sccc23)CC[C@H]1N 71730567 YBLYLKDGBXUBBO-ZJUUUORDSA-N 264.354 1.244 0 50 CDAA COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)c(C)c1 237325864 DFJKPJPEVPNQLU-WCQYABFASA-N 298.408 1.409 0 50 CDAA CCN(C(=O)c1cc2sccc2[nH]1)[C@H]1COC[C@@H]1O 219885459 DWECHKLNTUHPHQ-QWRGUYRKSA-N 280.349 1.451 0 50 CDAA NCCOc1cccc(CC(=O)N2CCC(F)(F)CC2)c1 426662228 NEBOULPRZWJZSZ-UHFFFAOYSA-N 298.333 1.824 0 50 CDAA COc1cc(F)c(C(=O)N2CC[C@H](OC)C2)c(F)c1 223273430 GZFPWXJVWWNVLR-QMMMGPOBSA-N 271.263 1.834 0 50 CDAA Cc1cc(S(=O)(=O)NC[C@H](C)O)c(C)c(C)c1C 41097208 QABKKORQGKCHSR-VIFPVBQESA-N 271.382 1.579 0 50 CDAA Cc1c[nH]c(C(=O)N[C@H](c2nccn2C)C2CC2)n1 223539781 ZTZQRFWRKSMYNK-JTQLQIEISA-N 259.313 1.333 0 50 CDAA CNC(=O)[C@@H]1CCN(c2cc(C)nc(-c3cccnc3)n2)C1 420616773 ICYMXXLHIWSTEQ-CYBMUJFWSA-N 297.362 1.419 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1nc2ccccc2[nH]1 426515773 SFWRJJGDUMPSRZ-STQMWFEESA-N 288.351 1.012 0 50 CDAA CC(C)c1nnc(Cn2cc(C(N)=O)cn2)s1 530160822 NRYPHOGQUSIIKY-UHFFFAOYSA-N 251.315 1.005 0 50 CDAA CCC[C@@]1(CO)CCN(C(=O)c2cc(N(C)C)ccn2)C1 290561030 IGXYUNJDEIREQC-MRXNPFEDSA-N 291.395 1.772 0 50 CDAA CCc1ccnc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1 180325970 ASDUSIJFNDQZOV-NSHDSACASA-N 273.336 1.137 0 50 CDAA COC(=O)[C@@H]1C(=O)[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 144501865 FRSSKCYREXGZOH-YIZRAAEISA-N 269.297 1.126 0 50 CDAA CC(C)(C)n1nc(-c2ccccn2)nc1CCn1cnnn1 95511409 IXMPLYXHOMOCEA-UHFFFAOYSA-N 298.354 1.324 0 50 CDAA Cc1nc2c(N3CCC[C@@]4(CNC(=O)O4)C3)ncnc2o1 91586006 FBVLEIQYZMOVSN-CYBMUJFWSA-N 289.295 1.005 0 50 CDAA O=C1CC[C@H](NC(=O)c2cc(F)cc3nc[nH]c23)CCN1 616360469 RSOWEOXNFJQRQN-VIFPVBQESA-N 290.298 1.101 0 50 CDAA CCOC(=O)Cc1c(N)cncc1Br 142641495 NNXOBYXIYCUNNK-UHFFFAOYSA-N 259.103 1.532 0 50 CDAA CCN1CCC[C@@H](C(=O)NCc2cnc3c(c2)CCC3)C1 426656961 NYJNWQJOEVYAMQ-OAHLLOKOSA-N 287.407 1.918 0 50 CDAA CN1CCCC[C@@H]1CCC(=O)NCCSc1cn[nH]n1 95379679 IWTXVSIWIQZOSV-LLVKDONJSA-N 297.428 1.278 0 50 CDAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](N)C1 236889932 NPRDVLYEYKWFPJ-CMPLNLGQSA-N 266.316 1.543 0 50 CDAA CCOc1ccc(NC(=O)Nc2ccn(C)n2)cn1 162138331 NEHQFPUNXBPZLJ-UHFFFAOYSA-N 261.285 1.858 0 50 CDAA Cc1ccnc(NC2(CN3CCOCC3)CCCC2)n1 95358757 MSFUXCRZQAWOPN-UHFFFAOYSA-N 276.384 1.842 0 50 CDAA CC[C@H](O)Cn1nc(-c2ccccc2)nc1-c1cn[nH]n1 96149273 NNGXKUVZMUHHRK-NSHDSACASA-N 284.323 1.501 0 50 CDAA COc1cc(Cl)ccc1C(=O)N1CC[C@](C)(O)[C@@H](O)C1 96164543 IKMUHJJFECURAP-JSGCOSHPSA-N 299.754 1.306 0 50 CDAA CCNc1ccnc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)n1 91830714 JWCRBQCTONXNCW-OLZOCXBDSA-N 275.400 1.685 0 50 CDAA CCc1nc([C@H](C)NC(=O)c2ccc3c(c2)COC3)n[nH]1 535694313 ZLNILXAJAREOFS-VIFPVBQESA-N 286.335 1.888 0 50 CDAA COC(=O)[C@]1(C)CCN(C(=O)C2[C@@H]3CCC[C@@H]23)C1 245774948 OTCNSTWAFYUQAT-GPCCPHFNSA-N 251.326 1.444 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2ncccc2O)CC1 244734459 NFTNCLNLMBQORS-XYPYZODXSA-N 291.351 1.069 0 50 CDAA C[C@@H](NC(=O)C1CC=CC1)c1ncc(C(=O)O)s1 621609667 RHIZBPMSNNHYSY-SSDOTTSWSA-N 266.322 1.985 0 50 CDAA CC[C@H](C)[C@@H](C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2)n1cnnn1 604418958 XCDMQFWCFZYHNU-PEDHHIEDSA-N 289.383 1.589 0 50 CDAA COCC1(CNC(=O)C(C)(C)c2cnc[nH]2)CCC1 622011929 MIOONQYIKIDSBA-UHFFFAOYSA-N 265.357 1.620 0 50 CDAA CCS(=O)(=O)NCCc1nc(Cc2ccccc2)no1 349800930 DILVIAHVJCYRTE-UHFFFAOYSA-N 295.364 1.142 0 50 CDAA Cc1n[nH]c(CN2CCCN(C(=O)c3ccoc3)CC2)n1 252482674 DLWXTQUIINLJAS-UHFFFAOYSA-N 289.339 1.054 0 50 CDAA COCC1(CNC(=O)Cc2ccc(CO)cc2)CC1 534586784 LYOCUFMQALGNLF-UHFFFAOYSA-N 263.337 1.264 0 50 CDAA COc1coc(CN(C)C[C@@H]2CCOC2)cc1=O 268490586 RHRPYDDLFJZHCQ-JTQLQIEISA-N 253.298 1.117 0 50 CDAA COCC1(CNC(=O)CC[C@H]2CCCCN2C)CC1 534586312 ZNMBJDCYQBFLIG-CYBMUJFWSA-N 268.401 1.794 0 50 CDAA Fc1cnccc1N1CC[C@H]2[C@H](C1)OCc1cnnn12 299787154 PKLTYAIBOFELLZ-STQMWFEESA-N 275.287 1.162 0 50 CDAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3noc(C)n3)[C@H]2C1 299798753 TYGOBWWNRIXPRF-MBNYWOFBSA-N 281.356 1.536 0 50 CDAA Cc1cc(C)n(CCCC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)n1 1074592690 XHOUQVOJLLDFRD-BFHYXJOUSA-N 277.368 1.574 0 50 CDAA CCc1[nH]nc2c1CN(Cc1nc(COC)no1)CC2 824490802 ONEJKYPHEDKUST-UHFFFAOYSA-N 277.328 1.060 0 50 CDAA C[C@H](Cn1cncn1)c1ncnn1CC(F)(F)F 822280223 PPSIGMKWTIXJQN-SSDOTTSWSA-N 260.223 1.236 0 50 CDAA COCC[C@@H]1CN(Cc2cnc(C)nc2)CCO1 824384166 WEULSSQSXAPRQS-CYBMUJFWSA-N 251.330 1.022 0 50 CDAA Cc1nccn1CC[C@H](C)NCCN1CCCCC1=O 584891775 LZRYRHKOJPIIGX-ZDUSSCGKSA-N 278.400 1.572 0 50 CDAA CCCc1cc(NC2CCS(=O)(=O)CC2)nc(C)n1 823009638 KAJACVZPZYHTID-UHFFFAOYSA-N 283.397 1.727 0 50 CDAA O=C(NCc1nc(O)n[nH]1)c1ccc([C@H]2CCCO2)s1 670440831 SEZBOCKYKIILCP-SSDOTTSWSA-N 294.336 1.353 0 50 CDAA O=C(c1ccc(Cl)cn1)N1C[C@H](O)[C@@H](N2CCCC2)C1 670452147 GHMOSCMEYZSUKN-STQMWFEESA-N 295.770 1.016 0 50 CDAA CC(C)(C)N1C[C@@H](CNCC2(O)CCC2)CC1=O 1353286404 BXRWVZMCVDPLAR-LLVKDONJSA-N 254.374 1.138 0 50 CDAA N[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2)C1 132345389 GEQZJKQKUSRJPG-LBPRGKRZSA-N 266.316 1.544 0 50 CDAA C[C@@H](NC[C@@H]1[C@H]2CNC[C@H]21)c1ccccc1-n1cccn1 952973704 XVRFHVJKPYNDQW-OJLVUWQFSA-N 282.391 1.988 0 50 CDAA CC(C)[C@@H](N)C1(O)CCN(C(=O)OC(C)(C)C)CC1 958528835 WFQSEHNXRWRGCT-LLVKDONJSA-N 272.389 1.732 0 50 CDAA O[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@H]1F 952982322 GRPDPWPILPJMRT-GHMZBOCLSA-N 263.272 1.251 0 50 CDAA CC[C@H]1[C@H](NC(=O)c2cn3ccsc3n2)[C@H]2CCO[C@@H]12 1565514345 SWUVUQMVEUPPQH-QCMRWSPLSA-N 291.376 1.939 0 50 CDAA Cc1cc(NC(=O)[C@H](C)N(C)Cc2nccn2C)on1 270528861 DAWNGASLENUISO-JTQLQIEISA-N 277.328 1.176 0 50 CDAA CC(C)c1ncncc1C(=O)N1CCC(C(=O)O)CC1 269159306 WUJAZNUSCBSGTD-UHFFFAOYSA-N 277.324 1.537 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC[C@H](CN)O2)CC1 91303588 LXUKJCKJBCDGOJ-LLVKDONJSA-N 270.373 1.894 0 50 CDAA in-vitro O=C(N[C@@H](CC(F)(F)F)C(=O)O)c1ocnc1C1CC1 630179065 SDRGPHXALQLYSV-LURJTMIESA-N 292.213 1.687 0 50 CDAA COc1ccsc1C(=O)NC[C@H]1CCc2nccn2C1 275397116 RRKFFXRKVNMJIK-SNVBAGLBSA-N 291.376 1.946 0 50 CDAA CC(C)OCCCC(=O)N1C[C@@H]2CCC[C@H](C1)C2O 170594265 FNFPCDMXDQEMLS-NNQSOWQGSA-N 269.385 1.811 0 50 CDAA NC(=O)[C@@H]1CC[C@@H](C(=O)NCc2ccc3ccccc3c2)O1 170607912 OISBVUBSFRHESB-GJZGRUSLSA-N 298.342 1.489 0 50 CDAA Cc1ccoc1C(=O)OCc1nc(N(C)C)no1 170616650 ZINKNGHKNMSOHB-UHFFFAOYSA-N 251.242 1.394 0 50 CDAA COCc1noc(COc2ccc3c(c2)CCC3=O)n1 186860383 WXIUFCGFRPWQBV-UHFFFAOYSA-N 274.276 1.924 0 50 CDAA O=C(N[C@H]1CCCC[C@@H]1O)c1cc(-c2ccncc2)on1 187405266 FXKGMQXYUXLYLK-AAEUAGOBSA-N 287.319 1.770 0 50 CDAA CS[C@@H]1CCN(C(=O)CN2C(=O)Cc3ccccc32)C1 597712753 JPZUXIWZEXUNGF-GFCCVEGCSA-N 290.388 1.540 0 50 CDAA COc1cccc(CN(C)C(=O)Cc2c(C)n[nH]c2C)n1 190639111 CMVCIOIIHBAJGC-UHFFFAOYSA-N 288.351 1.631 0 50 CDAA NC(=O)C[C@@]1(O)CCCN(CC/C=C/c2ccccc2)C1 643807815 BJSPVSFOMCLWED-QVNOTHCHSA-N 288.391 1.792 0 50 CDAA NC(=O)CC1(NC(=O)Nc2ccccc2F)CCC1 584907941 LVDXXEMZVKKBAY-UHFFFAOYSA-N 265.288 1.745 0 50 CDAA C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)N(CC(N)=O)[C@@H]1C 585116129 ICRCBPNGRCYHQT-IJLUTSLNSA-N 299.415 1.485 0 50 CDAA O=C([C@@H]1C[C@H]1C1CCC1)N1CCN(c2cnccn2)CC1 571886059 GRFVROQJIKDCTF-UONOGXRCSA-N 286.379 1.561 0 50 CDAA N[C@@]12CCC[C@@H]1CN(C(=O)c1cccc3c1CCOC3)C2 1615547074 NOWNBKSWRUOWNM-CXAGYDPISA-N 286.375 1.713 0 50 CDAA Cc1nc(CN2CCC(C3CCNCC3)CC2)no1 1857739489 UAGAEAHXDASIKZ-UHFFFAOYSA-N 264.373 1.590 0 50 CDAA C[C@@H](CN(C)CCO)NCc1ccc(F)c(Cl)c1 1506415680 BIFCKSIWWZJJHV-JTQLQIEISA-N 274.767 1.881 0 50 CDAA CCCOc1ccc(OCCN2C[C@H](O)[C@@H](OC)C2)cc1 1506404385 XLZLJGUQCMADIX-HOTGVXAUSA-N 295.379 1.546 0 50 CDAA O=C(c1ccc(F)c(O)c1)N1CC(N2CCCCC2)C1 220669113 KWOCQHFCVOWCJR-UHFFFAOYSA-N 278.327 1.842 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3ccsc3)C[C@@H]2O)n[nH]1 1529100336 QKEZLKUNZITMLH-OCCSQVGLSA-N 277.393 1.815 0 50 CDAA CCS(=O)(=O)c1ccccc1N1C[C@@H](C)[C@H](C(=O)O)C1 111253672 SXGRJCHSBUTSQL-GHMZBOCLSA-N 297.376 1.637 0 50 CDAA O[C@@H]1CN(Cc2ccsc2)C[C@H]1Cc1cnccn1 1529185405 MNUNASBVKSSUBO-TZMCWYRMSA-N 275.377 1.574 0 50 CDAA CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 3517501 VIICKBRUJIDUBK-UHFFFAOYSA-N 282.365 1.676 0 50 CDAA Cc1cc(C(N)=O)c(NCC[C@@H]2CCCN(C)C2)nc1C 1704313378 OXAZKAKFOBKDGR-ZDUSSCGKSA-N 290.411 1.941 0 50 CDAA COc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1O 974070 ZCHBFHCAGSBARE-WEVVVXLNSA-N 281.289 1.733 0 50 CDAA CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3C[C@@H]3C2)cc1 628499696 MUXRRHURRNFORL-GHMZBOCLSA-N 265.334 1.182 0 50 CDAA C[C@H](CS(C)(=O)=O)N(C)c1nc2c(F)cccc2o1 683748415 BGSZAQKWNWCQSA-MRVPVSSYSA-N 286.328 1.836 0 50 CDAA CCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 4968992 OSRQEYNRWVGNFF-UHFFFAOYSA-N 296.392 1.674 0 50 CDAA biogenic CCOCCN1CCN(C[C@@H]2CCCCO2)C[C@H]1C 247034459 DIMNYQCJPCYKAR-CABCVRRESA-N 270.417 1.598 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]3(C)C2)nc(N)n1 1772804553 BPVOWKJWDJTVIG-XPTSAGLGSA-N 260.341 1.664 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNc2ncnc3cc[nH]c23)CC1 1772817583 FGZNDHYXDPFGRB-XYPYZODXSA-N 287.367 1.922 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1CCOc1ccc(F)cc1 1772701792 MYLVLBPVXKUCBJ-TZMCWYRMSA-N 292.354 1.900 0 50 CDAA CC(=O)Nc1nc(Cl)ncc1Br 15021391 UZYLQQLKDKKDDW-UHFFFAOYSA-N 250.483 1.851 0 50 CDAA Cc1ccc(-n2nnc(C(=O)NC(C)C)c2N)cc1 16626103 WLTKIGNDWZIOBU-UHFFFAOYSA-N 259.313 1.296 0 50 CDAA CCOc1ccccc1[C@H]1CC(=O)Nc2nc(C)[nH]c(=O)c21 17042832 HOOXXDYIKQASDX-LLVKDONJSA-N 299.330 1.951 0 50 CDAA Cc1cc(C)n(NC(=O)c2cccc(CN(C)C)c2)c(=O)c1 19227807 PQOWDWCSQDOGCI-UHFFFAOYSA-N 299.374 1.911 0 50 CDAA COc1cccc(CN2CCN(C)CC2)c1OC 19359537 IEZJXKHASWPGCG-UHFFFAOYSA-N 250.342 1.451 0 50 CDAA CCN1CCN(Cc2ccc(OC)cc2OC)CC1 19536863 GELRKJLGIUHMLO-UHFFFAOYSA-N 264.369 1.841 0 50 CDAA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2C)C1=O 4472362 HOMXNFWQLOMABD-RYGSOJJJSA-N 294.332 1.623 0 50 CDAA CC(=O)N[C@H](C)C1CCN(c2ncccc2C(=O)O)CC1 1857528988 FPZINTHNDVFYOF-SNVBAGLBSA-N 291.351 1.521 0 50 CDAA CC(C)n1cc(C(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)cn1 1857721724 CMOMRYLLUVBZKE-UBHSHLNASA-N 292.383 1.055 0 50 CDAA OC[C@H]1CN(c2ncc(F)c(-c3ccsc3)n2)C[C@H]1O 418965416 STWQQJDHGMMCFY-MWLCHTKSSA-N 295.339 1.134 0 50 CDAA CC[C@@]1(O)CCCN(C(=O)c2cc3cccnc3[nH]2)C1 634199571 PDYXSWHHQPARNQ-OAHLLOKOSA-N 273.336 1.940 0 50 CDAA C[C@@H]1CCCN1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 237403023 PKALSIWDPOVLNL-TZMCWYRMSA-N 290.363 1.283 0 50 CDAA CN(C(=O)Cc1ccc2c(c1)CCCO2)[C@@H]1CCC[C@H]1O 335536229 QFAKMSNZVULHQU-HUUCEWRRSA-N 289.375 1.926 0 50 CDAA C[C@@H](C(=O)Nc1ccc(C(N)=O)nc1)C1CCOCC1 133314862 MQAUUGVMYBHDRP-SECBINFHSA-N 277.324 1.182 0 50 CDAA CN1CCC(NC(=O)c2cccc3oc(O)nc23)CC1 582921744 FEHWNPAKUNRLOI-UHFFFAOYSA-N 275.308 1.357 0 50 CDAA CCN1CCCC[C@@H]1CN=c1[nH]c(SC)ncc1CO 585092499 AXTRESMNYFTWPN-GFCCVEGCSA-N 296.440 1.399 0 50 CDAA Cc1nnc(CNC(=O)c2cn(C)c3ccccc23)n1C 264355916 UCVSIQBJVBLOTN-UHFFFAOYSA-N 283.335 1.545 0 50 CDAA CCc1noc(C)c1CNc1nc(N)[nH]c2ncnc1-2 814900306 MOTCQXGBRABVSI-UHFFFAOYSA-N 273.300 1.358 0 50 CDAA Cn1ccnc(NC(=O)N2CC=CC23CCCCC3)c1=O 1123415688 UDLSLLONKKGZIL-UHFFFAOYSA-N 288.351 1.887 0 50 CDAA COc1ccc(C=O)cc1C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 924026947 HCSKQSVFQRFDNQ-YUTCNCBUSA-N 289.331 1.351 0 50 CDAA CCOCc1nc(C)cc(N2CCC[C@H]2CO)n1 929085080 UPYHEUUAZBFGSY-NSHDSACASA-N 251.330 1.283 0 50 CDAA C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(CN)cc1 1263105818 ZIPZKHSODSNVAZ-JTQLQIEISA-N 258.325 1.686 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)[C@H]2CC23CCOCC3)C1 128540335 YGRVQVUSRRAOGS-WDEREUQCSA-N 267.325 1.126 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)oc1C 952851027 CFYUEQFXDMLFML-SNVBAGLBSA-N 274.324 1.831 0 50 CDAA COC(=O)c1cc2c(N3CCC(C)CC3)[nH]cnc-2n1 1875286371 PYGXJSMUPWKZKM-UHFFFAOYSA-N 274.324 1.932 0 50 CDAA O[C@H](c1nc(-c2cc(C3CC3)[nH]n2)no1)C1CCOCC1 1875286167 NHAQFMAEEMXZIJ-LBPRGKRZSA-N 290.323 1.797 0 50 CDAA CNC(=O)Nc1ccc(S(=O)(=O)NC2(C)CC2)cc1 1875289823 RZIWHXWRZDEUCL-UHFFFAOYSA-N 283.353 1.269 0 50 CDAA CS(=O)(=O)c1cccc(OC[C@H]2C[N@]2CC2CC2)c1 1875381247 ONAINKDHPTYJCH-DOMZBBRYSA-N 281.377 1.563 0 50 CDAA C[C@H]1Cc2ccccc2N1C(=O)C[C@@H]1COCCN1 128829327 GDVFNIIRGXBQLY-WCQYABFASA-N 260.337 1.343 0 50 CDAA O[C@]1(c2cn(CCc3ccc(F)c(F)c3)nn2)CCOC1 881354154 VHDVWLLWDPCQTN-CQSZACIVSA-N 295.289 1.407 0 50 CDAA Cn1ccnc1[C@H]1C[C@H](Nc2nccn3cncc23)CCO1 894130275 DIVYHWPJQLAKCE-DGCLKSJQSA-N 298.350 1.795 0 50 CDAA Cc1cc(CN2CC[C@@](O)(c3cnn[nH]3)C2)ccc1Cl 1775958892 SPLCJFGOOCIKHY-AWEZNQCLSA-N 292.770 1.860 0 50 CDAA O=C([C@@H]1CCOC2(CCC2)C1)N1CC(OC(F)F)C1 897493971 KNONHPWVIDBXOG-SECBINFHSA-N 275.295 1.786 0 50 CDAA Nc1nc(Cl)c(N)c(NCCOc2cccc(F)c2)n1 1184801929 DCOGGAWKWGHMQB-UHFFFAOYSA-N 297.721 1.924 0 50 CDAA C[C@H]1CN(Cc2cn(Cc3cscn3)nn2)C[C@@H](C)O1 899703938 HGIGAZWSUXSDPF-PHIMTYICSA-N 293.396 1.392 0 50 CDAA c1ccc(-c2cn(CCO[C@@H]3CCOC3)nn2)cc1 899735744 PTXCQYPETOOQSH-CYBMUJFWSA-N 259.309 1.751 0 50 CDAA CCC(CC)(CNC(=O)N1CC[C@@](C)(C(=O)O)C1)OC 261863497 YCRBXTKUPLYPHE-CYBMUJFWSA-N 286.372 1.698 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2ccn(C3CCCC3)n2)C1 344914036 WTHKMXYGOXMINB-LSDHHAIUSA-N 279.384 1.580 0 50 CDAA O=C(CCc1cn[nH]c1)NCCC[C@H]1CCOC1 630005189 RIXUZSSANBECRE-NSHDSACASA-N 251.330 1.275 0 50 CDAA CCc1sc(C(=O)N2CC[C@](OC)(C(=O)O)C2)cc1C 630249894 PQPFOODGWMAFFO-CQSZACIVSA-N 297.376 1.935 0 50 CDAA O=C1CN(Cc2ccc3ncccc3c2)CCCN1 670462966 WSDSYUNYWVCFJX-UHFFFAOYSA-N 255.321 1.557 0 50 CDAA Cc1ccnc(NCC2(S(N)(=O)=O)CCC2)c1Cl 895604898 FUMWXYCFSGKPJF-UHFFFAOYSA-N 289.788 1.667 0 50 CDAA COc1ccc(-c2ccnc3nc(O)[nH]c(=O)c23)cc1 8764880 RDXAIDFQEYRCFE-UHFFFAOYSA-N 269.260 1.699 0 50 CDAA biogenic CC(C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 12382595 GVEDLRINVIFDHL-UHFFFAOYSA-N 282.365 1.147 0 50 CDAA O=C(O)CC[C@H]1C[C@H](NC(=O)c2ccnc3ccnn23)C1 2325798919 JSUOULWEYLNCBG-MGCOHNPYSA-N 288.307 1.103 0 50 CDAA Cc1cnc2n1CC[C@@H](NC(=O)Nc1cnn(C)c1)C2 2325810254 FEZHZBUPNONVBA-SNVBAGLBSA-N 274.328 1.062 0 50 CDAA Cc1nc2ccccc2c2c1C(=O)N(CC(=O)O)C2=O 53709 SLQJFOWOFRHKST-UHFFFAOYSA-N 270.244 1.224 0 50 CDAA Cc1ccc(NC(=O)CNC(=O)c2ccco2)cc1 265013 FTJASONVJZEHTB-UHFFFAOYSA-N 258.277 1.957 0 50 CDAA NS(=O)(=O)c1cc(F)c(Cl)cc1Br 2548780 GWLBKMLOIUBDJY-UHFFFAOYSA-N 288.525 1.889 0 50 CDAA Cn1nnc2cc(NC(=O)N3CCSCC3)ccc21 469682 RWUUVPQLYLHLJR-UHFFFAOYSA-N 277.353 1.549 0 50 CDAA CC(C)CNS(=O)(=O)c1ccc(CCC(N)=O)cc1 472309 IGYNRQIBRDJJKT-UHFFFAOYSA-N 284.381 1.039 0 50 CDAA O=C1NC(=O)[C@@H](Nc2cccc(C(=O)O)c2)S1 1137136 PYVHPOUTSVJAFG-QMMMGPOBSA-N 252.251 1.106 0 50 CDAA O=C1c2ccccc2C(=O)N1CCc1ccccn1 1641451 XDSOQPQMYBPJND-UHFFFAOYSA-N 252.273 1.920 0 50 CDAA N[C@@H](Cc1ccc(Br)s1)C(=O)O 2529149 LKORPMMOJAJYLC-YFKPBYRVSA-N 250.117 1.465 0 50 CDAA in-vitro O=C1NC[C@H]2CN(CCCOCc3ccccc3)C[C@@H]12 2356150118 MTOQLNRNFIFIJC-LSDHHAIUSA-N 274.364 1.271 0 50 CDAA O=C(Nc1nncs1)[C@@H]1CC(=O)N(C2CCCCC2)C1 4814433 CIOSRNKCEXTVGW-SECBINFHSA-N 294.380 1.658 0 50 CDAA CCOCC(=O)Nc1ccccc1C(=O)N1CCOCC1 4838572 TXCWVKJLHAEIES-UHFFFAOYSA-N 292.335 1.134 0 50 CDAA CN1C(=O)C2(OCCO2)c2cc(Br)ccc21 8047104 IJJAQBVHUJRFOU-UHFFFAOYSA-N 284.109 1.625 0 50 CDAA CCCCN1C[C@H](C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1=O 8270268 KSCKKBHKYKALFG-JHJVBQTASA-N 282.384 1.271 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 101115594 SEXDDVCKKZIAFB-LPWJVIDDSA-N 255.273 1.438 0 50 CDAA CCS(=O)(=O)c1ccc(N[C@@H](C(=O)NC)C(C)C)cc1 225521269 WBQLGQMGQWUKNH-CYBMUJFWSA-N 298.408 1.663 0 50 CDAA OCCNc1nc2ccccc2n1C[C@@H]1CCCO1 225506550 XUNZBAPTZBHOGJ-NSHDSACASA-N 261.325 1.620 0 50 CDAA COC[C@H](C)N(C)C(=O)[C@H]1CCC[C@H](C(=O)O)C1 111473687 WPDXRPYSEXVGRU-DCAQKATOSA-N 257.330 1.371 0 50 CDAA CC1=C[C@H](C)[C@@H]2C(=O)N(Cc3ccc[n+](C)c3)C(=O)[C@@H]2C1 105747009 PYBDZRRKYOKDCJ-CFVMTHIKSA-N 285.367 1.598 0 50 CDAA CC(C)C1=NO[C@H](C(=O)N(Cc2cnn(C)c2)C(C)C)C1 67675847 HRPYNOSDAHBMKG-AWEZNQCLSA-N 292.383 1.958 0 50 CDAA CC(C)(CO)CNc1nc2nonc2nc1N1CCCC1 20203109 CLTNFDWBJWOHEP-UHFFFAOYSA-N 292.343 1.043 0 50 CDAA CO[C@]1(CNC(=O)c2sccc2F)CCOC1 346753934 IFERODPDWYYLQH-NSHDSACASA-N 259.302 1.423 0 50 CDAA CCc1oc(C(=O)N2C[C@@H]2C(=O)O)cc1CN1CCCC1 63857464 FUUABLVKPRFOOQ-VCQTYVLVSA-N 292.335 1.347 0 50 CDAA NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 1363563233 ZQEKHJPDBCVCON-YUMQZZPRSA-N 292.726 1.666 0 50 CDAA Cc1cnn(CCNC(=O)c2cc(C(C)(C)C)nn2C)c1 117810408 QFKRJRWQAJYJAF-UHFFFAOYSA-N 289.383 1.653 0 50 CDAA Cc1cc(C(=O)NCC[C@@H]2CN(CC(C)C)CCO2)[nH]n1 67726061 PFVHYNPIWAEZFV-CYBMUJFWSA-N 294.399 1.195 0 50 CDAA O=C(O)C[C@H]1NC(=O)N(c2cccc3ncccc23)C1=O 409413102 CMHMJKYJJMXLNS-SNVBAGLBSA-N 285.259 1.134 0 50 CDAA Cc1ccc(C(=O)NCCCN2CCOCC2)o1 20166138 OXLIJZGIYWOPLU-UHFFFAOYSA-N 252.314 1.040 0 50 CDAA C[C@H](Cn1ccnc1)NCc1noc(-c2ccco2)n1 67919638 MKEQGZQBDQSRQL-SNVBAGLBSA-N 273.296 1.704 0 50 CDAA COC(=O)[C@H]1CCc2nnc([C@@]3(C)CCCO3)n2C1 601044919 SHLMHKIHJZJKBE-TVQRCGJNSA-N 265.313 1.039 0 50 CDAA Cc1cncc(/C=C/C(=O)N2CC[C@@](O)(C3CC3)C2)c1 365875730 HUGCVZAHKXJWKM-AUYOJAJCSA-N 272.348 1.777 0 50 CDAA COC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 252673679 RJOXHZUXPBZKCO-SDDRHHMPSA-N 268.357 1.818 0 50 CDAA O=C(NCc1ccn2ccnc2c1)[C@H]1CCn2cncc2C1 363163912 DZJOULIXZNPYKR-ZDUSSCGKSA-N 295.346 1.410 0 50 CDAA O[C@H]1COCCN(C/C=C/c2ccc(F)cc2)C1 77485619 CEYXLEVTVMJMHN-VSZDKKFSSA-N 251.301 1.532 0 50 CDAA Cc1cc(NC[C@H](O)C(F)(F)F)n2nccc2n1 72426957 WJLLUIIVBDQSDR-ZETCQYMHSA-N 260.219 1.373 0 50 CDAA C[C@@H]1C(=O)N(c2ncnn2C)C(=O)N1Cc1ccccc1 328596154 VESNWJNKFGUICS-SNVBAGLBSA-N 285.307 1.172 0 50 CDAA COc1cc(C(=O)NCc2csc(C)n2)on1 122774332 PKRCDXRGKBIENK-UHFFFAOYSA-N 253.283 1.378 0 50 CDAA Cc1cc(N)n(CC(=O)N2CC[C@@H](CC(C)C)C2)n1 219326386 MBTAQIACUGHRRB-LBPRGKRZSA-N 264.373 1.668 0 50 CDAA Cn1cc(Br)c2oc(C=O)cc2c1=O 217857371 XKFNMNHUUDOEHY-UHFFFAOYSA-N 256.055 1.707 0 50 CDAA C[C@](O)(CN1C(=O)C[C@]2(CCSC2)C1=O)C(F)(F)F 253426862 YYBWMSFATIUBGL-UWVGGRQHSA-N 297.298 1.182 0 50 CDAA CSc1ncc(CN2CCC[C@H](NC(C)=O)C2)cn1 216536257 CZGQLCNPCLFWMD-LBPRGKRZSA-N 280.397 1.299 0 50 CDAA O=C(NC1(C(=O)O)CC1)c1ccc(C(F)(F)F)cn1 125615792 VPIRZPLOWBCQGL-UHFFFAOYSA-N 274.198 1.447 0 50 CDAA O=C(NC[C@H]1CCCS1(=O)=O)c1cc2ccccn2c1 153858504 LQVZRTVAILERAW-CYBMUJFWSA-N 292.360 1.246 0 50 CDAA C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccnn1C)C[C@@H](C)O2 363927932 MRPKBWOGLYADHI-SUNKGSAMSA-N 294.355 1.220 0 50 CDAA O=C(N[C@H]1CCCc2nc(O)ccc21)[C@@H]1CCCN1 261876696 SWXKKHOIHPDGEF-RYUDHWBXSA-N 261.325 1.033 0 50 CDAA COc1ccc(/C=C/CN2CCN(C)[C@@H](CO)C2)cc1 215156504 RJAWDZVFBUWSNC-NHZBNJEXSA-N 276.380 1.317 0 50 CDAA O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)N1CC[C@H](n2cccn2)C1 333315538 AALMXQRLJGCIGU-RNJOBUHISA-N 260.341 1.638 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)C[C@@H]2CCC(=O)NC2)C1(C)C 333649383 KDHUZLBRCOWSFT-ZIBATOQPSA-N 282.384 1.223 0 50 CDAA O=C(NCCS(=O)(=O)c1nccs1)C1CCCC1 128488036 VXMHLBLQXOXAQY-UHFFFAOYSA-N 288.394 1.223 0 50 CDAA C[C@]1(NC(=O)c2cnc3[nH]c(O)nc3c2)CC=CCC1 333769024 RBJXCJQNKIFHCX-AWEZNQCLSA-N 272.308 1.892 0 50 CDAA C1C[C@@H]2[C@@H]3C[C@H](C[C@@H]3N[C@@H]3CCc4nnnn4CC3)[C@H]2C1 333844864 MBLHLUDFYNGSEH-JNWWKETESA-N 287.411 1.792 0 50 CDAA C[C@H]1OCCN(Cc2cccc3cc[nH]c23)[C@@H]1C(N)=O 284547320 HOQNVJRFSWLBNB-YGRLFVJLSA-N 273.336 1.243 0 50 CDAA CCc1c(C)nn(CC(=O)N(C)Cc2nc(C)c[nH]2)c1C 220513763 NMVVZKFQUJAYAL-UHFFFAOYSA-N 289.383 1.752 0 50 CDAA CNC(=O)c1cccc(CNC(=O)C[C@H]2CCCOC2)c1 192604309 VJRVMCOFOYLRCE-CYBMUJFWSA-N 290.363 1.479 0 50 CDAA COc1cccc(CNc2cc(C3CC(N)C3)nc(N)n2)c1 223887512 XTQYULZWCHSZDY-UHFFFAOYSA-N 299.378 1.884 0 50 CDAA Cn1ccnc1SCCNC(=O)C[C@H]1CCCOC1 426512288 PIYAKRSPSGMULD-LLVKDONJSA-N 283.397 1.445 0 50 CDAA CC(C)c1nc(N(C)C)nc(N(C)C[C@H](C)C(=O)O)n1 263557142 PBAHFANCSIXLRM-VIFPVBQESA-N 281.360 1.218 0 50 CDAA COCCN(Cc1ccccn1)C(=O)C[C@@H]1CCNC1 89745425 HBGRJCKTXPEVHE-ZDUSSCGKSA-N 277.368 1.056 0 50 CDAA CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)[C@H]1CCNC1 179091554 WXDUFAKXGPMNBE-ZDUSSCGKSA-N 297.358 1.476 0 50 CDAA COc1ccc(CCC(=O)N(C)[C@H]2CCNC2)cc1F 179057230 ARRBXYIEUGDLKZ-LBPRGKRZSA-N 280.343 1.587 0 50 CDAA C[C@@H]1O[C@@H](C(Cl)(Cl)Cl)N(CCN(C)C)C1=O 96026575 BCBYNSIATNYIDO-XPUUQOCRSA-N 289.590 1.492 0 50 CDAA CSCCN1CCC(Nc2ccncn2)CC1 91817798 MGQBQIBMFUTLLU-UHFFFAOYSA-N 252.387 1.716 0 50 CDAA COc1ccc(C)c(NC(=O)NCCN2CCNC2=O)c1 95497827 DKWUMGFIUAVGES-UHFFFAOYSA-N 292.339 1.150 0 50 CDAA CO[C@H]1C[C@@H](O)C12CCN(Cc1nc(C)c(C)n1C)CC2 91769001 JTSHWVNWSLWKML-KGLIPLIRSA-N 293.411 1.399 0 50 CDAA Nc1cc(CC[C@@H]2COc3ccccc3O2)ncn1 240971694 UBFSXIPQKFGRHO-LLVKDONJSA-N 257.293 1.831 0 50 CDAA OCc1cccc(CNc2cncc(-n3cccn3)n2)c1 344952961 UEESEUITIURSLC-UHFFFAOYSA-N 281.319 1.767 0 50 CDAA Cc1ccnc(SCC(=O)NCc2snnc2C)n1 244866603 VYXGNTIJKZVIDB-UHFFFAOYSA-N 295.393 1.353 0 50 CDAA COc1cc2c(cc1OC)[C@H](CC(=O)O)N(C)CC2 259273340 BGAMQWMYAOMIPT-NSHDSACASA-N 265.309 1.708 0 50 CDAA CCc1nn2c(c1C(=O)NC)N[C@@H](c1ccccc1)C2 263615523 CURLBEFYQSROCX-GFCCVEGCSA-N 270.336 1.972 0 50 CDAA O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1nc[nH]c2nccc1-2 629121963 UREWDIGYGIJKCX-ONGXEEELSA-N 272.308 1.207 0 50 CDAA COC[C@H](CO)NC(=O)CCc1ccc(C)c(OC)c1 534632957 NIJLHUUQVSKRLY-ZDUSSCGKSA-N 281.352 1.060 0 50 CDAA COCC1(CNC(=O)C(C)(C)N2CCOCC2)CCCC1 456874514 ZWYYGFXZXODHEZ-UHFFFAOYSA-N 298.427 1.420 0 50 CDAA CCn1nc(C)c(C(=O)N[C@@H](C)c2ncnn2C)c1C 299795313 LBWYCFKYBXPALS-VIFPVBQESA-N 276.344 1.139 0 50 CDAA CS(=O)(=O)NC[C@H](c1cccnc1)N1CCCCC1 824864520 YSQAKKDVKSBQFP-CYBMUJFWSA-N 283.397 1.158 0 50 CDAA CCn1nc(C)c([C@H](C)NC(=O)C2(C(=O)O)CC2)c1C 823593477 YJLLEATXSAFBBH-QMMMGPOBSA-N 279.340 1.562 0 50 CDAA OC[C@@H]1CCCN1Cc1nc(-c2ccccc2)no1 12471754 KXNVRCWORFOFIG-LBPRGKRZSA-N 259.309 1.693 0 50 CDAA Cc1csc(CN(C)Cc2c(CO)cnc(C)c2O)n1 670472069 QOCKWLHRGPUSRN-UHFFFAOYSA-N 293.392 1.985 0 50 CDAA CN1C(=O)[C@@H](NC(=O)Nc2ccncn2)Cc2ccccc21 1414445038 YJFBDTDJLVILNH-NSHDSACASA-N 297.318 1.186 0 50 CDAA COc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)ccc1F 243893862 AUTVEJUNTJZJDJ-GDGBQDQQSA-N 279.267 1.237 0 50 CDAA CNS(=O)(=O)c1c(C(=O)OC)sc2ccccc12 67172509 WZGBGUJRDIQADS-UHFFFAOYSA-N 285.346 1.596 0 50 CDAA in-vitro CN1[C@H]2CC[C@@H]1CCN(S(=O)(=O)c1ccccc1)C2 71278971 DEFSDSKFGXCVMR-OLZOCXBDSA-N 280.393 1.544 0 50 CDAA CNC(=O)c1ccc(NC(=O)c2cccn(C)c2=O)c(C)c1 952990505 YJHJRHZDOUANIF-UHFFFAOYSA-N 299.330 1.306 0 50 CDAA C[C@@H](CNC(=O)C1CCC(O)CC1)N1CCCCC1=O 407990841 MUSWTZWXXNQOLD-HIFPTAJRSA-N 282.384 1.055 0 50 CDAA c1cn(C2CCOCC2)c(-c2cc3n(n2)CCCNC3)n1 72411820 QCDJVGAZIMAMGE-UHFFFAOYSA-N 287.367 1.591 0 50 CDAA CCc1ncnc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1F 408170202 DAXOHYBYKQJVHO-CYZMBNFOSA-N 295.358 1.544 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CO[C@@H](C)C2)cc1C 408485370 HEPSLFRKCMMWBT-RYUDHWBXSA-N 297.376 1.533 0 50 CDAA CCS(=O)(=O)NC(=O)[C@H]1CCc2cc(C)ccc2O1 408488128 XIYROENVGMBAQG-GFCCVEGCSA-N 283.349 1.155 0 50 CDAA CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1nc(C2CC2)no1 268929771 XUOVDKMMJCNFQS-BBBLOLIVSA-N 293.323 1.481 0 50 CDAA C[C@H](Cc1ccccc1F)C(=O)N1CCOC[C@H]1C(=O)O 268986444 QIDSMTXQPPTOLG-MFKMUULPSA-N 295.310 1.316 0 50 CDAA O=C(N[C@H]1CCCC[C@H]1C(=O)O)c1cnn(CC2CC2)c1 630217431 LTEZMTHWAODUFU-OLZOCXBDSA-N 291.351 1.666 0 50 CDAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccnn1C 275517055 KULMQDNZWRPOFD-SWLSCSKDSA-N 289.383 1.504 0 50 CDAA CN(C)c1ncc(CNC(=O)C2(C)CCC2)n1C 170022003 JVFDUYNTKOALTD-UHFFFAOYSA-N 250.346 1.293 0 50 CDAA CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCOc2ccccc21 187334446 RDZIXAXIKNQOTP-CHWSQXEVSA-N 288.347 1.637 0 50 CDAA Cc1ccc(S(=O)(=O)[C@@H](C)c2nnnn2C)c(C)c1 188923842 CQQPCFIUWSYMTG-JTQLQIEISA-N 280.353 1.362 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2occc2C)C1 644117507 CBYJNGXMZCEMSE-MNOVXSKESA-N 275.308 1.913 0 50 CDAA CC[C@H](O)c1cn(CCOC2CCSCC2)nn1 725271151 YAFRHYXPUWIIIZ-LBPRGKRZSA-N 271.386 1.634 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1C 191872444 RYMBYPDXTAOVDG-QWRGUYRKSA-N 262.309 1.353 0 50 CDAA Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cc[nH]c2)o1 583621544 ZSQDUTGPHFRRFS-QWRGUYRKSA-N 293.302 1.053 0 50 CDAA CCc1nc(=N[C@@H]2CCc3ccccc3NC2=O)s[nH]1 585091277 QNJDKKKHYMNKFA-LLVKDONJSA-N 288.376 1.888 0 50 CDAA CNCCCN1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 649413396 YEGSPBMJLBZWRE-ZDUSSCGKSA-N 295.431 1.481 0 50 CDAA Cc1nc(C(=O)N2CC[C@H](CN(C)C)C2)ccc1C(=O)O 738340167 NNRCOLVMXFGBPR-LLVKDONJSA-N 291.351 1.112 0 50 CDAA C[C@H](C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21)n1cccn1 653328060 CYRAPQSMCHLDNC-SWHYSGLUSA-N 299.330 1.874 0 50 CDAA CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CNCCO1 195543620 QLBCFSIRLMEIKJ-CVEARBPZSA-N 290.407 1.893 0 50 CDAA Cc1nc(C)c(Cn2cnc([C@@H]3COCCN3)n2)s1 567674185 BSIBMTURXSENAK-JTQLQIEISA-N 279.369 1.061 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCC1(F)F 574978581 QHOQDJCNJLCGDC-MRVPVSSYSA-N 281.266 1.242 0 50 CDAA CCOC(=O)c1nc(=NCCCc2cccnc2)cc[nH]1 1615586093 PZHIUIUOLXPKRO-UHFFFAOYSA-N 286.335 1.515 0 50 CDAA COc1nscc1CN(C)C(=O)N=c1cc[nH]cc1F 1650506334 NBXJJUWLKYLJHC-UHFFFAOYSA-N 296.327 1.772 0 50 CDAA CC(C)n1cc(NC(=O)CN2C[C@@H]3CC[C@H]2C3)cn1 1506421082 UODCLBOZNLUKTC-YPMHNXCESA-N 262.357 1.887 0 50 CDAA Nc1cccc(C(=O)N2CCOC3(CCCC3)C2)n1 221156629 DYXVPFLACXNJNJ-UHFFFAOYSA-N 261.325 1.449 0 50 CDAA CN(C(=O)c1ccc(O)nc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529146194 JZCXJLQEKMGADR-MPZDIEGVSA-N 276.336 1.409 0 50 CDAA CC1=C(c2ccccc2)[C@@H]1C(=O)N1CCS(=O)(=O)CC1 1857695973 GRJRINFIVQYEDI-CQSZACIVSA-N 291.372 1.347 0 50 CDAA Cc1cccc(C(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)c1F 1704339584 SLOPBFXRLABHBU-GXSJLCMTSA-N 281.283 1.042 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2c(C)noc2C)CC[C@@H]1O 1704313472 QEFZWULMRZWZSR-KGYLQXTDSA-N 282.340 1.084 0 50 CDAA CO[C@@H](CNC(=O)c1cc2c(s1)CCCCC2)C(=O)O 227266102 NPCRGFKMKLMVOW-JTQLQIEISA-N 297.376 1.846 0 50 CDAA O=C1C(=O)N(CNc2ccccn2)c2ccccc21 19143707 KSZDAMIZOPZZPE-UHFFFAOYSA-N 253.261 1.681 0 50 CDAA CN(CC1CCOCC1)C[C@H]1CCC(=O)N(C)C1 1772807652 QOQKBYQMYLSWLM-CYBMUJFWSA-N 254.374 1.213 0 50 CDAA CCC1(CC)C[C@@H]1CNC(=O)c1cnc(C(N)=O)cn1 1772704803 TVVQUNFSIAZKFO-SECBINFHSA-N 276.340 1.132 0 50 CDAA CN1CC[C@H]2CC[C@@H](C1)N2c1ncc(F)c(N(C)C)n1 1772711679 CRFZUSHDDUSWHM-MNOVXSKESA-N 279.363 1.355 0 50 CDAA COc1cc(CNCCC(C)C)ccc1OCC(N)=O 12382217 CGVQUJJSMNZCBU-UHFFFAOYSA-N 280.368 1.695 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2C)cc1 12857295 QTFYPNSDEAPRFW-UHFFFAOYSA-N 281.337 1.068 0 50 CDAA CNC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 12863636 NZFCZLKHDBUQAN-UHFFFAOYSA-N 264.300 1.424 0 50 CDAA O=C(NCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 13021962 SYMDVXVIPATRBN-UHFFFAOYSA-N 279.299 1.853 0 50 CDAA O=C(c1cccn1C1CC1)N1CCN2C(=O)OC[C@@H]2C1 1857687231 MHPDAVDICOOMJL-NSHDSACASA-N 275.308 1.100 0 50 CDAA CC(C)(C)CCN1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857718705 PLPNORFWLKQJHC-KYEXWDHISA-N 253.386 1.894 0 50 CDAA CNC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1 8764138 ZQHJPIPGBODVTG-UHFFFAOYSA-N 261.256 1.955 0 50 CDAA in-vitro CN(C)c1cccc2[nH]nc(NC(=O)Cn3ccnc3)c12 1875249742 WKABFPJVZXDZNG-UHFFFAOYSA-N 284.323 1.464 0 50 CDAA COC(=O)CN(Cc1ccccc1)[C@H](C)C(=O)OC 408512969 VZSNNFZHKZZTSV-LLVKDONJSA-N 265.309 1.223 0 50 CDAA CC(=O)Oc1cc(OC(C)=O)cc(OC(C)=O)c1 1747858 CLWKAMVDWLTMKD-UHFFFAOYSA-N 252.222 1.463 0 50 CDAA in-vitro CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O 3887281 PQVVECYLSLMVBT-SNVBAGLBSA-N 275.301 1.213 0 50 CDAA in-vitro Cn1cnc2cc(C(=O)N3CCN4CCCC[C@H]4C3)ccc21 127743459 VFFGASDZOOKKND-AWEZNQCLSA-N 298.390 1.884 0 50 CDAA Cn1nccc1C1CCN(C(=O)[C@H]2CCC[C@@H]2N)CC1 237678106 UPBPHRZOBZJVBU-STQMWFEESA-N 276.384 1.254 0 50 CDAA Cn1nccc1[C@@H](CO)NC(=O)c1coc(C(C)(C)C)n1 823526296 NVXBDEUYZIRWHY-SECBINFHSA-N 292.339 1.169 0 50 CDAA O=C(c1ccc(Cn2ccnn2)o1)N1CCCC2(CC2)C1 935444774 BPZXVBLEHYGYSD-UHFFFAOYSA-N 286.335 1.936 0 50 CDAA C[C@@]1(C(=O)OCc2nc(O)n[nH]2)C[C@H]2CC[C@H]1C2 860188992 FXLBSZITILOZMV-YVZVNANGSA-N 251.286 1.380 0 50 CDAA NC(=O)CCc1nc(Cc2ccccc2Cl)no1 952877174 MCYYKZQGCGDUSD-UHFFFAOYSA-N 265.700 1.732 0 50 CDAA Cn1cc(-c2cc(CN(CCN)CC(F)F)on2)cn1 1875284371 XKBDPEXPBDFBSS-UHFFFAOYSA-N 285.298 1.101 0 50 CDAA CCn1cnc2c1CCN(C(=O)Nc1cc(C)no1)C2 1875271313 GASLSZDZPYYGND-UHFFFAOYSA-N 275.312 1.790 0 50 CDAA N=c1nc2[nH]c(SCC3[C@H]4CCC[C@H]34)nc2c(N)[nH]1 1875331742 AVFVWJUFWAHGDQ-WDSKDSINSA-N 276.369 1.486 0 50 CDAA Cn1cc(-c2cnn(-c3ccc(F)cc3)c2N)cn1 1875340158 OJBFCKSJYSFVTO-UHFFFAOYSA-N 257.272 1.994 0 50 CDAA Cn1cccc1CNC(=O)[C@@H]1CCCO[C@H]1c1ncc[nH]1 886088527 IKBLGFLICFEWGE-CHWSQXEVSA-N 288.351 1.532 0 50 CDAA CN(CCNC(=O)[C@@H]1CSCCS1)c1ccccn1 1776006138 MVRGMBYRZSUUKF-NSHDSACASA-N 297.449 1.483 0 50 CDAA O=C(CC1=CCCCC1)N1CCC(O)(C(=O)O)CC1 262497238 MXHKJEGWEHJRRN-UHFFFAOYSA-N 267.325 1.315 0 50 CDAA Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)sc1C 36972349 AWLYKIGSRABQIP-JTQLQIEISA-N 293.348 1.514 0 50 CDAA O=C(O)c1ccc(NS(=O)(=O)C[C@H]2CCCCO2)cc1 264628631 KBTIBNFDRBPRNA-GFCCVEGCSA-N 299.348 1.696 0 50 CDAA COC1(CC(=O)N2CC(F)(F)C[C@@H]2CO)CCC1 365084080 HPMUKIDOPOUOJL-SECBINFHSA-N 263.284 1.174 0 50 CDAA COc1cc2cc(C(=O)O)[nH]c2c2c1OCCC2=O 381757 NDHDDHVSYQFPDN-UHFFFAOYSA-N 261.233 1.840 0 50 CDAA C[C@@H](Cc1ccc(O)cc1)N[C@H](C)C1(O)CCOCC1 2325773681 NSWNGKYXUCPQHM-QWHCGFSZSA-N 279.380 1.843 0 50 CDAA CC12CC(CNC(=O)[C@@H]3CCCn4nccc43)(CO1)C2 2325786682 QFRZGFXBSONEIY-VCANKDNSSA-N 275.352 1.446 0 50 CDAA CC(C)C(=O)C(=O)N[C@@H](C(=O)N1CCCCC1)C(C)C 2325811428 ZBZAIDXOKAHVIX-GFCCVEGCSA-N 282.384 1.365 0 50 CDAA CCn1ncc(-c2cnc(-c3ncccn3)cn2)c1F 2325865127 OAAIERKUNCUBQJ-UHFFFAOYSA-N 270.271 1.956 0 50 CDAA Cc1cnc2c(C(=O)NCc3csc(=N)[nH]3)cccc2n1 2325868909 QBYJPVSYQVXZFA-UHFFFAOYSA-N 299.359 1.737 0 50 CDAA CC(=O)N(C)C[P@](=O)(O)CCc1ccccc1 439298 XTOZPXXQIDSCRA-UHFFFAOYSA-N 255.254 1.935 0 50 CDAA CN(C[P@@](=O)(O)CCc1ccccc1)S(C)(=O)=O 444654 HKGLMHCJVOOXAU-UHFFFAOYSA-N 291.309 1.348 0 50 CDAA CCN1CC[C@@H](NCCCN2CCCC2=O)[C@@H](C)C1 222107956 NPDZWCSZJGERSL-UONOGXRCSA-N 267.417 1.319 0 50 CDAA Nc1nnc(-c2ccccc2-c2nnc(N)s2)s1 2056831 VKLJYPGMTPXELH-UHFFFAOYSA-N 276.350 1.888 0 50 CDAA O=C(O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 2999127 WXMCOLGPDOYHNK-UITAMQMPSA-N 279.273 1.474 0 50 CDAA in-vitro Cn1ccnc1C(O)(c1ccccc1)c1nccn1C 3876372 NWIYARUDRHTEHU-UHFFFAOYSA-N 268.320 1.438 0 50 CDAA COCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1cccc(C)c1 4235158 OBQYFNIPAIEUEY-OCCSQVGLSA-N 277.320 1.616 0 50 CDAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cnc(C)nc3C)C2)n1 65404259 XNXLJLQFZCHABU-CQSZACIVSA-N 299.378 1.994 0 50 CDAA Cc1c[nH]nc1CN1CCC(CC(=O)N2CCCC2)CC1 225419758 ALDWQGDILKNIHI-UHFFFAOYSA-N 290.411 1.943 0 50 CDAA CCN(C)C(=O)NC1CCN(C(=O)OC(C)C)CC1 112751669 ISOMNRQXKVETPE-UHFFFAOYSA-N 271.361 1.657 0 50 CDAA CC(C)NC(=O)c1ccc(Cl)cc1-n1cnnn1 20426782 QMKCLCFKKUWCFE-UHFFFAOYSA-N 265.704 1.454 0 50 CDAA Cc1ncsc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 115136601 XZKPVARFXZDWHF-YIZRAAEISA-N 266.322 1.529 0 50 CDAA CCCCn1nnnc1NC(=O)N1CCO[C@@H](CC)C1 23214116 VHBXORRCLRGTHU-JTQLQIEISA-N 282.348 1.116 0 50 CDAA COCC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 20773944 WYNUWYWMFFVELJ-UHFFFAOYSA-N 267.716 1.521 0 50 CDAA c1cc(-n2cnnn2)ccc1OCc1nc(C2CC2)n[nH]1 65387922 GHYUGJFGDRXVCQ-UHFFFAOYSA-N 283.295 1.237 0 50 CDAA C[C@H](O)C(=O)N1CCc2onc(-c3ccccc3)c2C1 67803265 CXOGVZZIKCSXRA-JTQLQIEISA-N 272.304 1.607 0 50 CDAA COc1cccc(C[C@@H](C)NCCc2nnc(N)s2)c1 65397045 BNWLEHKLVMWCJU-SNVBAGLBSA-N 292.408 1.892 0 50 CDAA COc1ccccc1N1CCC(NC(=O)[C@H](C)OC)CC1 138584817 CEKHQASXVDMUBH-LBPRGKRZSA-N 292.379 1.815 0 50 CDAA COC[C@H](CO)NC(=O)[C@@H](C)CCc1cccc(F)c1 252494158 NMLHTVURPTUNRG-FZMZJTMJSA-N 283.343 1.518 0 50 CDAA O=C([C@H]1C[C@H](O)CN1)N1CC2(CCCC2)c2ccccc21 252519015 AQXGWCXECJTIAE-GXTWGEPZSA-N 286.375 1.568 0 50 CDAA N[C@H](CCC(=O)Nc1cccc2ccccc12)C(=O)O 393778 QOGFVABMAJFJDJ-GFCCVEGCSA-N 272.304 1.970 0 50 CDAA biogenic CS(=O)(=O)N1CCN(c2nc3ccccc3s2)CC1 414581 YSSKILJIEICGRQ-UHFFFAOYSA-N 297.405 1.378 0 50 CDAA CN(Cc1cn[nH]c1C(=O)O)C1Cc2ccccc2C1 71714748 INYDLFYALAOEEJ-UHFFFAOYSA-N 271.320 1.707 0 50 CDAA O=C(c1cc(O)cc(O)c1)N1CCc2cnccc21 121644337 PPDFJSDKWVTOCQ-UHFFFAOYSA-N 256.261 1.696 0 50 CDAA CCCc1nnc(S)n1CC(=O)N1C[C@@H]2CCC[C@H]2C1 154095868 ZJAYYTIFOQDFDQ-QWRGUYRKSA-N 294.424 1.778 0 50 CDAA CC(=O)C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C 331262487 DKANZHARLPTVLG-AAEUAGOBSA-N 296.411 1.897 0 50 CDAA Cc1cc(=O)c(C(=O)N2CCC3(CCCO3)CC2)c(C)[nH]1 71404245 UZHDHJOBSXRPNG-UHFFFAOYSA-N 290.363 1.777 0 50 CDAA O=C(O)[C@H]1CCc2nc3sc4c(c3c(=O)n21)CCCC4 35323840 AEZIVXQWSSCRJL-MRVPVSSYSA-N 290.344 1.909 0 50 CDAA Cc1nnc(CN2CCC[C@](F)(CO)C2)n1C1CC1 367866606 USHBEZBHKQULKN-CYBMUJFWSA-N 268.336 1.218 0 50 CDAA NCCN(CCc1ccccc1)C(=O)[C@@H]1CCOC1 261625036 ADORGRZGZRVJPF-CQSZACIVSA-N 262.353 1.053 0 50 CDAA CC(=O)c1cc(C(=O)N(C)CCc2nccs2)n(C)c1 156681821 ULMNOEAXTDBENN-UHFFFAOYSA-N 291.376 1.999 0 50 CDAA O=C(c1cccc(CO)c1)N1CCOC[C@H]1C1CC1 334444260 DTHHTBWOVDCHSA-AWEZNQCLSA-N 261.321 1.430 0 50 CDAA CCO[C@@H]1C[C@@H](Nc2cccc(C(=O)O)n2)[C@@]12CCCO2 262964793 AJNSPOMXTMAQAJ-JMSVASOKSA-N 292.335 1.918 0 50 CDAA Cc1ccc(CN2CCN3CCN(C)C[C@@H]3C2)c(F)c1F 216264789 TWXDKUVFEPVCRL-CQSZACIVSA-N 295.377 1.705 0 50 CDAA CC1(C(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)CC1 450507578 SRBWAWDJKNAQFV-UHFFFAOYSA-N 290.319 1.630 0 50 CDAA COCCc1nsc(NCc2cccnc2)n1 241644494 PRGURBAQSBAYBK-UHFFFAOYSA-N 250.327 1.734 0 50 CDAA Cn1nc(C2CC2)nc1Cn1cc(Cl)ccc1=O 335341551 LRBMPLIBTDUWJZ-UHFFFAOYSA-N 264.716 1.556 0 50 CDAA CO[C@@H]1C[C@@H](CC(=O)O)N(C(=O)c2cccc(F)c2C)C1 263246454 SGWHEWNWZIOYGR-WDEREUQCSA-N 295.310 1.838 0 50 CDAA CCc1ccccc1CCN1C[C@@H](OC)C[C@H]1C(N)=O 284461849 ACMNUACVRDFOEP-GJZGRUSLSA-N 276.380 1.366 0 50 CDAA CSc1nn(-c2cccc3c2OCC3)c(=O)o1 71777601 BYULBGRZJVKMGN-UHFFFAOYSA-N 250.279 1.482 0 50 CDAA CS(=O)(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 48961465 JVRHLIRODJZFLB-SNVBAGLBSA-N 272.345 1.201 0 50 CDAA Cc1ncsc1CCN(C)C(=O)c1ncccc1O 72476812 AGIFXEOOHFEYGJ-UHFFFAOYSA-N 277.349 1.867 0 50 CDAA NC[C@@H]1CCCCN1C(=O)NCCCc1ccc(O)cc1 417739838 GTEXQTXKBRMDSL-AWEZNQCLSA-N 291.395 1.848 0 50 CDAA COc1ccccc1[C@@H](CO)OC1CCOCC1 222576488 DBNLRXIWDMHQDJ-CQSZACIVSA-N 252.310 1.924 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(c2cnccn2)C1 286269496 GDFXNKHEUGFPRU-STQMWFEESA-N 262.357 1.166 0 50 CDAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1cnco1 222880793 UINXHCWGHXLJJD-UHFFFAOYSA-N 285.303 1.731 0 50 CDAA O=c1c2cnc3ccnn3c2ccn1CCc1cnc[nH]1 40387592 HTSIFUCZEJNYQP-UHFFFAOYSA-N 280.291 1.010 0 50 CDAA CO[C@H](C)CNS(=O)(=O)c1c(Cl)ccc(F)c1F 287328795 KSUNZWLAWASIKI-ZCFIWIBFSA-N 299.726 1.931 0 50 CDAA CCOCC(=O)N1CC(=O)N(c2cccc(C)c2)C[C@H]1C 82099052 SZEDLGVIOQDESN-CYBMUJFWSA-N 290.363 1.595 0 50 CDAA CCc1ccc(C(=O)NCCCN2CCC[C@H](O)C2)[nH]1 426552094 YJOXHRITSKYNQO-ZDUSSCGKSA-N 279.384 1.154 0 50 CDAA Cc1cc(C(=O)N2CCO[C@@H](c3ccco3)C2)no1 176724639 RAKYCUBXZQHRER-GFCCVEGCSA-N 262.265 1.790 0 50 CDAA O=C(CCO)NC[C@@H]1CCN(c2ccccc2F)C1 223163927 DGOMVMYYTFWZAK-NSHDSACASA-N 266.316 1.151 0 50 CDAA Cc1nn(-c2nn[nH]n2)c(C)c1-c1cccc(N(C)C)c1 426431144 OTENUKPITSEFHB-UHFFFAOYSA-N 283.339 1.735 0 50 CDAA CN1CCCC[C@@H]1CC(=O)NCCCc1ncc[nH]1 426361900 GNFXICMVKXHDIO-GFCCVEGCSA-N 264.373 1.333 0 50 CDAA NC(=O)CCn1cc(-c2ccc3c(c2)OC(F)(F)O3)cn1 426512074 IIIFDDYNBLSYQZ-UHFFFAOYSA-N 295.245 1.747 0 50 CDAA C[C@@H](C(=O)NCCCOC1CCCC1)N1CCN(C)CC1 338079168 LTYLNIHWKYIGRI-AWEZNQCLSA-N 297.443 1.088 0 50 CDAA O=C(NCc1ccc(F)cc1Cl)c1c[nH]nn1 147420073 XJNDJHAWIQPRDQ-UHFFFAOYSA-N 254.652 1.527 0 50 CDAA CNCc1nnc(SCCc2cccc(C)n2)n1C 426361893 FMZNSTQXRLRSFB-UHFFFAOYSA-N 277.397 1.573 0 50 CDAA COC(=O)Nc1ccc(-c2cnn(CCO)c2)cc1 96149819 WSZCOGUVQKAVCO-UHFFFAOYSA-N 261.281 1.721 0 50 CDAA CN(C)[C@H](C(=O)NC1CCOCC1)c1ccccc1F 95380942 GEPITHIEJKHEKM-AWEZNQCLSA-N 280.343 1.724 0 50 CDAA Cc1nc(CC(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cs1 91468624 JTLKDLARUGUDFC-NWDGAFQWSA-N 294.376 1.563 0 50 CDAA Cc1nncn1CCN1C(=O)COc2ccccc21 95510718 BEGAODMHVWCYKZ-UHFFFAOYSA-N 258.281 1.012 0 50 CDAA C[C@@H]1CN(C(=O)c2nn(C)cc2Cl)C[C@@]1(O)C1CCC1 92028179 UIYRGRKNFMSLCO-OTYXRUKQSA-N 297.786 1.697 0 50 CDAA Cc1cc(C(N)=O)ccc1NC(=O)NC1CCOCC1 96162601 APOWGDVCWFNBMZ-UHFFFAOYSA-N 277.324 1.394 0 50 CDAA CCC(=O)N1CCCNC(=O)[C@@H]1Cc1ccccc1 294114048 JQNJVBJZXHEBIR-ZDUSSCGKSA-N 260.337 1.356 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H]1c1[nH]nnc1C(=O)O 231948187 QHDCLZHHOOVMIS-ZETCQYMHSA-N 282.300 1.575 0 50 CDAA C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCCCC1 247679452 RPFZOBCYOHJRLX-REWJHTLYSA-N 266.385 1.687 0 50 CDAA COc1cnc(CN(C)CCN2CCCCC2=O)cc1O 244795162 RASPIZXDUFROQP-UHFFFAOYSA-N 293.367 1.240 0 50 CDAA CCNC(=O)CCN1CC(Oc2cccc(Cl)c2)C1 244724003 MLVZUBQFBXUYFX-UHFFFAOYSA-N 282.771 1.929 0 50 CDAA CN1CCO[C@H](C(=O)N2CCC[C@H]3CCC[C@H]32)C1 245444662 YGMJGFKOCNRMRR-UPJWGTAASA-N 252.358 1.108 0 50 CDAA CN(C)[C@H](C(=O)N[C@H]1CC[C@@H](N)CC1)c1cccc(F)c1 248044771 WCHIWQZNLMFAQJ-ZNMIVQPWSA-N 293.386 1.815 0 50 CDAA COCC(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244718686 LOZCYISDUMBBPS-IHRRRGAJSA-N 263.337 1.131 0 50 CDAA Cc1ccc(OC2CN([C@H](C)C(=O)NC3CC3)C2)cc1 244735144 NTLPTPNFSBEUMT-GFCCVEGCSA-N 274.364 1.725 0 50 CDAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)cc1 245226862 PGTZBVJFJKAZSJ-VMUDFCTBSA-N 297.310 1.722 0 50 CDAA Cc1nc(C)c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)[nH]1 621876418 XTJSQHRFPZFZBA-GFCCVEGCSA-N 288.355 1.170 0 50 CDAA CC(C)[C@H](C(=O)N(C)[C@H](C)C(=O)O)N1CCCCC1 299751056 PINPJVLMIMVWQQ-VXGBXAGGSA-N 270.373 1.428 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CCCOc2cccnc2)C1 299744063 QPKLKVCFCMCTKN-LLVKDONJSA-N 278.308 1.174 0 50 CDAA Nc1ccnc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)n1 299751151 PSRSCVMQKBHFSA-GFCCVEGCSA-N 298.394 1.581 0 50 CDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCOC1 299748248 GOWOGMSZODCXPM-BXUZGUMPSA-N 289.331 1.451 0 50 CDAA CCCn1nccc1S(=O)(=O)N[C@H](C)c1nc(C)no1 534591709 YICOWFWUDJZTNW-MRVPVSSYSA-N 299.356 1.024 0 50 CDAA C[C@H](NC(=O)c1cn2cccnc2n1)c1nc(C2CC2)no1 534661884 WSZSJSOWFMAQGB-QMMMGPOBSA-N 298.306 1.481 0 50 CDAA CCN1C[C@H](C(=O)NCc2ccc3nc[nH]c3c2)CC1=O 615789620 ILFWDAWIDZVZHV-LLVKDONJSA-N 286.335 1.048 0 50 CDAA O=C(NC[C@@H]1CCCO1)Nc1cccc2[nH]ncc12 299770739 MFKKVPMLJJCJML-VIFPVBQESA-N 260.297 1.863 0 50 CDAA Cc1nonc1CC(=O)NCCCc1ccccc1F 827856029 CNRQAIRSLJQKOW-UHFFFAOYSA-N 277.299 1.809 0 50 CDAA COc1cc(OC)nc(N(C)Cc2cn(C)nc2C)n1 824576922 PBIHUGNMGBXDCV-UHFFFAOYSA-N 277.328 1.172 0 50 CDAA CC/C(C)=C/CCN1CCO[C@@H](C(=O)N(C)C)C1 822289026 UUCLKKDKHPKVCY-BWODNOAJSA-N 254.374 1.522 0 50 CDAA CN(Cc1ccccc1)S(=O)(=O)NC[C@]1(C)CCCO1 823724799 XUPJNXAHUFVKKG-AWEZNQCLSA-N 298.408 1.522 0 50 CDAA Cc1nn(CCNC(=O)NC2CCC2)c(C)c1C 584884562 AFLXKGXWDTYFGD-UHFFFAOYSA-N 250.346 1.660 0 50 CDAA COc1cccc2c(=O)n([C@@H](C)c3ncnn3C)cnc12 584894338 JQCPVYWFJJDXBT-VIFPVBQESA-N 285.307 1.143 0 50 CDAA CC1=NO[C@](C)(C(=O)NCCCNc2ccc(C)cn2)C1 670473779 XBGGTTDVOAJHEG-HNNXBMFYSA-N 290.367 1.863 0 50 CDAA Cc1nonc1CN(C)C[C@@H]1Cc2ccccc2O1 670473486 AMGQZDQUDWTRHR-LBPRGKRZSA-N 259.309 1.814 0 50 CDAA CC[C@H](NC(=O)c1c(C)nc2ncccn12)c1ncc(C)[nH]1 670458875 LGILLINIGPXHIL-NSHDSACASA-N 298.350 1.950 0 50 CDAA CC(C)C1=NO[C@@H](C(=O)NCc2ccc3nc[nH]c3c2)C1 952970261 SDRFIHWBXNOADP-CQSZACIVSA-N 286.335 1.980 0 50 CDAA COC[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)cc(C)o1 1565530220 VYZXGNVBIRUXFB-JQWIXIFHSA-N 265.309 1.493 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)o1 1565526523 KIHQOGQFQRENIT-LOWVWBTDSA-N 288.347 1.810 0 50 CDAA COc1cccc(O[C@H](C)CNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1 268888263 DDNRERGPVDTYHZ-WQAKAFBOSA-N 293.319 1.299 0 50 CDAA NC(=O)c1ccccc1-c1ccc2nc(CO)[nH]c2c1 96164044 GFXHOWUYNAVPQI-UHFFFAOYSA-N 267.288 1.821 0 50 CDAA CSC[C@H](C)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275714075 VMCSVIYPNGRVGZ-DCAQKATOSA-N 298.412 1.301 0 50 CDAA CCNC(=O)CCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 276004567 PUKIVEJZGYCWEM-CQSZACIVSA-N 290.411 1.952 0 50 CDAA O=C([C@H]1CCCCO1)N(C[C@@H]1CCCN1)C1CC1 186540029 KKFMXGXPAIJFEH-WCQYABFASA-N 252.358 1.299 0 50 CDAA C[C@@H]1CCSCCN1S(=O)(=O)CCN1CCCC1 170619229 IYBJDPIXLYSAIA-GFCCVEGCSA-N 292.470 1.239 0 50 CDAA COc1ccc(C(=O)NCCCn2nc(C)cc2C)cn1 170612028 DNJRMGBHRNMKHD-UHFFFAOYSA-N 288.351 1.724 0 50 CDAA CN(C)c1nccc(=N[C@H](c2cnn(C)c2)C(C)(C)C)[nH]1 579466387 WYPCEEYNBYBWMQ-CYBMUJFWSA-N 288.399 1.897 0 50 CDAA Cc1c(C(=O)N[C@@H](C(=O)O)C(C)C)cnn1CC(C)C 190517415 FWDOOAAEMWBYFX-GFCCVEGCSA-N 281.356 1.687 0 50 CDAA CCN(CC(=O)N1C[C@H](OC)C[C@H]1c1ncc[nH]1)C1CC1 644120306 WXHVFJQXYCMPMF-OLZOCXBDSA-N 292.383 1.182 0 50 CDAA CN1C[C@H](NC(=O)C2(C)COC2)CC[C@H]1C(F)(F)F 583620060 RGCDJGSQAJFURW-BDAKNGLRSA-N 280.290 1.164 0 50 CDAA COc1ccc2nc(N3C[C@@H](OC)C[C@H]3CO)ccc2c1 583616348 YQXHOBFKKAPWCR-JSGCOSHPSA-N 288.347 1.829 0 50 CDAA CC1(C)[C@H]2CC[C@](C)(C2)CN1C(=O)[C@@H]1CCS(=O)(=O)C1 585128584 GUVCDXDELDKTMH-TYNCELHUSA-N 299.436 1.848 0 50 CDAA C[C@]1(CO)C[C@H](O)CN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585128373 ZQMGLUZDEZGQDN-DKBOKBLXSA-N 267.369 1.157 0 50 CDAA CC(C)(C(=O)N1CC[C@H](CCO)C1)N1CCCCC1 585129301 FDPWHICCCYXJSG-CYBMUJFWSA-N 268.401 1.482 0 50 CDAA C[C@@H](Nc1nccc(-c2cnccn2)n1)[C@@H]1CCCNC1 561264764 OZIUSYURCTYPDJ-VXGBXAGGSA-N 284.367 1.734 0 50 CDAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cc1cc(C)on1 734798904 JGBRZLGIDSKYTJ-CQSZACIVSA-N 286.335 1.818 0 50 CDAA Cc1c(-c2cccc(NS(C)(=O)=O)c2)cnn1C 649444161 FSKCOGIUPXWAKF-UHFFFAOYSA-N 265.338 1.767 0 50 CDAA O=C(O)[C@@]1(C(=O)N2CCN3CCC[C@@H]3C2)CC=CCC1 653303518 QNHFRRJWRLKIJU-DOMZBBRYSA-N 278.352 1.104 0 50 CDAA CCc1nc(C)c(C(=O)N[C@@H]2CC[C@@H]2COC)o1 1615000995 JGLVIIVSFLJNPJ-NXEZZACHSA-N 252.314 1.700 0 50 CDAA N[C@@H]1CC12CCC(NC(=O)COCc1ccccn1)CC2 1615546221 MYKSSPXQHGCFFB-CXOJTPOUSA-N 289.379 1.374 0 50 CDAA Cc1cc(C)c(CC(=O)N[C@]23CCC[C@@H]2NCC3)c(O)n1 1615555078 XULLYEURSJDTEW-BBRMVZONSA-N 289.379 1.347 0 50 CDAA COc1ccc(-n2ccnc2CN2C[C@H](O)[C@@H](F)C2)cc1 1615748744 VKOCHCSTWHUGQS-KBPBESRZSA-N 291.326 1.396 0 50 CDAA O[C@H](c1ccccc1)C1CCN(C[C@@H](O)CF)CC1 1875275326 WTBXKDIEJNMPLJ-LSDHHAIUSA-N 267.344 1.762 0 50 CDAA Cc1nc(N2CC[C@H](N3CCN(C)CC3)C2)ccc1Cl 1506404422 HNZAMZKTCVTEHS-ZDUSSCGKSA-N 294.830 1.870 0 50 CDAA CCc1nc(C)sc1CNC(=O)CCc1cn[nH]c1 1506398477 DNERJIZFGIKWSW-UHFFFAOYSA-N 278.381 1.986 0 50 CDAA O=C(O)CNc1cccc(C(=O)N2CCC(F)CC2)c1 1857684155 AXSGQWVYDKUOQZ-UHFFFAOYSA-N 280.299 1.757 0 50 CDAA Cc1cc(O)cc(=O)n1Cc1cn2c(n1)SCC2 1547201097 VXZPONQZOVSXPD-UHFFFAOYSA-N 263.322 1.213 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(CCS(C)(=O)=O)C2 1704358426 LIEQMBGUMKBSQF-OLZOCXBDSA-N 275.414 1.312 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)C2(N(C)C)CCC2)C1(C)C 119492129 SNOAXNGKAPAXDL-SMDDNHRTSA-N 268.401 1.791 0 50 CDAA C[C@H]1OCC[C@]1(O)CNCc1cnn(C(C)(C)C)c1 227966670 VQUXOHCFKYKJDC-RISCZKNCSA-N 267.373 1.268 0 50 CDAA CCCNC(=O)CC1(N2CCOCC2)CCCC1 363230668 LCIJMMXJRUGBLO-UHFFFAOYSA-N 254.374 1.548 0 50 CDAA O[C@H]1COCC[C@@H]1NC1CCN(C2CCCC2)CC1 1565505937 QNALVYRXWXXZLJ-GJZGRUSLSA-N 268.401 1.133 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)C=C1CCCCC1 368560895 IBBAOAYCWIFCMM-LBPRGKRZSA-N 267.325 1.579 0 50 CDAA CN1CC2(CN(Cc3c[nH]nc3C(C)(C)C)C2)OC1=O 497122556 BENYBJAGLNMMRF-UHFFFAOYSA-N 278.356 1.344 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCC(C(C)C)CC1 859631122 INRYCQXQXSPLPT-UHFFFAOYSA-N 252.358 1.525 0 50 CDAA CC[C@H](Cc1ccco1)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772808364 OALQVBHYVFZYFW-BNOWGMLFSA-N 265.353 1.133 0 50 CDAA O=C(Cc1ccccc1)N(O)Cn1nnc2ccccc21 5332539 SCTBCDNRRYGULB-UHFFFAOYSA-N 282.303 1.849 0 50 CDAA NS(=O)(=O)c1ccc(CNC(=O)CC2CCCC2)cc1 13020694 MOVVPXFONVHTGS-UHFFFAOYSA-N 296.392 1.531 0 50 CDAA CCN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(O)cc1 16091272 LSPIQGHSKHAHRT-SNVBAGLBSA-N 265.309 1.806 0 50 CDAA CCCCN1C[C@H](C(=O)N2CCC[C@@H](C)C2)CC1=O 16527275 MQMDKQYFFOECMA-CHWSQXEVSA-N 266.385 1.894 0 50 CDAA O=C(CCCN1CCOCC1)c1ccc2c(c1)OCCO2 19288417 VWYJPKOXMISZGN-UHFFFAOYSA-N 291.347 1.753 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1cccnc1)C2=O 19312802 BNTNSFQIHYJJSY-UHFFFAOYSA-N 257.337 1.307 0 50 CDAA Cc1ccc(C(=O)NCCN2CCOCC2)cc1C 19832577 JARXPMHUNKHLNV-UHFFFAOYSA-N 262.353 1.365 0 50 CDAA CN1CC[C@H](CC(=O)NCc2cccn3nccc23)C1 1857688732 YPBVMMRSSKTRQR-GFCCVEGCSA-N 272.352 1.292 0 50 CDAA O=C(Cn1cnnc1)N1CC[C@@H](c2ccc(F)cc2)C1 1857683902 QNXZWFDRWNXQDR-GFCCVEGCSA-N 274.299 1.433 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)cnc1C 1857733994 JFNGTDWJZMEBFR-GLQYFDAESA-N 289.379 1.290 0 50 CDAA C[C@@H](NCC1(CO)CCOCC1)[C@@]1(C)CCCO1 408011096 OPUWYVVNNIROMJ-CHWSQXEVSA-N 257.374 1.323 0 50 CDAA Cc1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 222380247 QCSLCAPTHHHNRT-SOUVJXGZSA-N 279.380 1.844 0 50 CDAA COc1ccccc1N1CCC[C@H](NC(=O)C(F)F)C1=O 225626386 CXFRECMBZDEKFU-VIFPVBQESA-N 298.289 1.572 0 50 CDAA CNC(=O)CNC(=O)c1ccnc(Oc2ccccc2)c1 522178202 AEEOKBLZINVHLQ-UHFFFAOYSA-N 285.303 1.350 0 50 CDAA Cc1nnsc1C(=O)N[C@H](CC(=O)O)c1cccs1 237589444 LQXVOKMLXILCKB-SSDOTTSWSA-N 297.361 1.854 0 50 CDAA Cc1noc(C)c1C[C@H](C)C(=O)N(CC(=O)O)C1CC1 237511669 ACRZPNIAFDYRJM-QMMMGPOBSA-N 280.324 1.546 0 50 CDAA O=C(COc1ccc2c(c1)CCC2)N1C[C@@H](F)C[C@H]1CO 583620515 DNXLWLDBZPMQTK-KBPBESRZSA-N 293.338 1.485 0 50 CDAA Cc1cc(NS(=O)(=O)c2cnccc2C)n(C)n1 585140328 BTLCVQYKXDROIG-UHFFFAOYSA-N 266.326 1.233 0 50 CDAA COC(=O)c1cnn2ccc(NC(=O)[C@H]3CCCO3)cc12 585125583 XRGHXRUINWYDPL-GFCCVEGCSA-N 289.291 1.238 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1cnn(C)c1 267473058 TULAPCYAMBQHAV-TZMCWYRMSA-N 265.357 1.140 0 50 CDAA Cc1csc(=O)n1CCOC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 809545224 YWCKBDTXWJAOOM-SDDRHHMPSA-N 279.361 1.974 0 50 CDAA NC(=O)c1cn(Cc2nc(C3CCCCC3)cs2)nn1 853678241 DHYOWXIGKRFJSD-UHFFFAOYSA-N 291.380 1.930 0 50 CDAA OC1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1 1875286655 ZMDDWXVZIJBUGB-UHFFFAOYSA-N 286.335 1.970 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)[C@H]1CCc2ccnn2C1 1875294970 ZXFUIXCIFXDKHP-NSHDSACASA-N 273.340 1.136 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc(OC(F)F)nc1 1875273011 UBYHGEYRBHZHDC-NSCUHMNNSA-N 286.234 1.142 0 50 CDAA Cc1cccnc1[C@H]1CCN(C[C@@H]2CNCCO2)C1 1875327186 TWVQILYGXAIKTM-KBPBESRZSA-N 261.369 1.168 0 50 CDAA Cc1noc(C2CC2)c1C(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O 1875311233 QWKKMJVVBPRNQI-ZRUFSTJUSA-N 290.319 1.699 0 50 CDAA NC[C@@H]1CN(Cc2ccccc2)Cc2nccn2C1 1775956073 NRUFRUCMEWZPJE-CQSZACIVSA-N 256.353 1.474 0 50 CDAA Cc1cc(C)cc(C(=O)N2CCOC[C@H]2CC(=O)O)c1 129326395 ZPVPPAVHGMBHEL-CYBMUJFWSA-N 277.320 1.619 0 50 CDAA CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCCn1ccnc1 182186720 OBCNOPLDROSTLS-STQMWFEESA-N 285.413 1.219 0 50 CDAA O=C(O)C[C@@H]1CCCN(C(=O)CCn2cccn2)CC1 299744574 PFHIEJXXYSANNL-GFCCVEGCSA-N 279.340 1.377 0 50 CDAA CCN(Cc1nc(-c2cccs2)no1)S(C)(=O)=O 67613934 SHQIKQUDHSMISF-UHFFFAOYSA-N 287.366 1.580 0 50 CDAA CN(Cc1cnc2ccccc2n1)C[C@H](O)C1CC1 659993810 JBPBJKFIHCKCAN-HNNXBMFYSA-N 257.337 1.833 0 50 CDAA O=C(c1ccc2ccccc2c1)N1C[C@H](O)[C@@H](CO)C1 316418992 RWFWGLXXRSKNTM-CABCVRRESA-N 271.316 1.265 0 50 CDAA C[C@@H]1CCNC[C@@H]1NC(=O)c1ccc(C(=O)O)cc1 521444037 LYZOWQUYZBQONA-SKDRFNHKSA-N 262.309 1.113 0 50 CDAA CN1CCC[C@H](CN(C)C(=O)c2cncc(O)c2)C1 330478202 KEUGYBTUPGYXJE-NSHDSACASA-N 263.341 1.201 0 50 CDAA Cn1c(CCN)nnc1SCc1cscn1 426668323 LTEHBCIBMASCHV-UHFFFAOYSA-N 255.372 1.065 0 50 CDAA O=C(CCc1cn[nH]c1)NC[C@H]1CC[C@H](CO)CC1 584893566 XCPWFTPCIPPVOU-HAQNSBGRSA-N 265.357 1.257 0 50 CDAA O=C(c1cccc(O)n1)N1CCC(C2(O)CC2)CC1 1326590250 ITCHOOKFXYDNDC-UHFFFAOYSA-N 262.309 1.164 0 50 CDAA O=C(CCc1nc(O)n[nH]1)N1CCC[C@@H]1c1cccnc1 2100482365 UFJFZRJBDKNIQW-LLVKDONJSA-N 287.323 1.202 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1cccs1)C2=O 19320885 NMAIYJUBTNUSGG-UHFFFAOYSA-N 262.378 1.973 0 50 CDAA Cc1csc(C[C@H]2CCN(C(=O)CCC(=O)O)C2)n1 2325763142 CEKKRQBIUUSVPM-SNVBAGLBSA-N 282.365 1.707 0 50 CDAA CN(C)[C@H]1C[C@H](C(=O)NCCCc2ccco2)C1 2325784858 OSNYBIOMCJAVOQ-HAQNSBGRSA-N 250.342 1.669 0 50 CDAA CNc1oc(C)nc1S(=O)(=O)c1ccccc1 192217 MQWTWKBOHKHUHH-UHFFFAOYSA-N 252.295 1.858 0 50 CDAA COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)OCO2 302884 LSWZFWPMIOHBFY-NSHDSACASA-N 293.319 1.733 0 50 CDAA Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccco1 416246 SEOMAWMNXJIBCQ-UHFFFAOYSA-N 292.364 1.790 0 50 CDAA CC(=O)O[C@@H]1CSc2n(c3ccccc3[n+]2C)C1 432643 YTQDXMMOEXRDMZ-JTQLQIEISA-N 263.342 1.503 0 50 CDAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(C)=O 486309 FXQZLCIYBPSROR-CQSZACIVSA-N 272.304 1.614 0 50 CDAA biogenic CCN1CCO[C@@H](CC(=O)Nc2cccc(F)c2)C1=O 1067994 WHAMPQODUPUREH-LBPRGKRZSA-N 280.299 1.402 0 50 CDAA CCCCCCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C 2279297 JKOYBXMFTWRJGZ-UHFFFAOYSA-N 293.371 1.070 0 50 CDAA CC(C)Oc1nccn2c(-c3cncnc3)cnc12 2356144432 XPELCMSEFPNWBN-UHFFFAOYSA-N 255.281 1.974 0 50 CDAA COc1cc(Br)c([C@@H](N)C(=O)O)cc1OC 2533946 WPSNNNNYWQWOQA-SECBINFHSA-N 290.113 1.551 0 50 CDAA C[C@H](NC(=O)c1c(Cl)cnn1C)[C@@H]1CCCO1 2778617 BHSJAKOKBWUYFJ-CBAPKCEASA-N 257.721 1.371 0 50 CDAA COc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 4263613 JPOMCZUKXAJQDN-VIFPVBQESA-N 279.321 1.190 0 50 CDAA CCOc1ccc(Cl)cc1CNc1nnnn1C 4657601 UPHWMBMFEJJATF-UHFFFAOYSA-N 267.720 1.874 0 50 CDAA COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2 6523804 AYDBLCSLKNTEJL-RFQIPJPRSA-N 289.331 1.526 0 50 CDAA in-vitro CC(=O)N1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 8764850 NYDZDLACUVHREM-UHFFFAOYSA-N 275.304 1.739 0 50 CDAA biogenic O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ncnc3nc[nH]c23)C1 225512788 ULMBKBPEIVEGOK-VXGBXAGGSA-N 299.309 1.804 0 50 CDAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C)cc1 55422028 DPGLMZMGVNDMDP-AWEZNQCLSA-N 290.363 1.249 0 50 CDAA O=C(NC[C@H]1COc2ccccc2C1)N1CCOCC1 53909525 MJWNOEJSTPOPQU-LBPRGKRZSA-N 276.336 1.280 0 50 CDAA C[C@H]1CC(=O)CC[C@H]1C(=O)NCC(=O)Cc1ccccc1 135264361 SZYMVZSFBKGAAB-BLLLJJGKSA-N 287.359 1.920 0 50 CDAA C[C@H](C1CCN(Cc2ccnn2C)CC1)N1CCOCC1 20272418 YCTOBBHQDAKAFZ-CQSZACIVSA-N 292.427 1.353 0 50 CDAA CC[C@@H](C(=O)NC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 65362033 NPZGJBRKZFOTFR-ZDUSSCGKSA-N 298.408 1.594 0 50 CDAA CN1CCC[C@H]1Cc1nc2c([nH]1)CC(C)(C)CNC2=O 65408928 BGFPYGABZHEARM-JTQLQIEISA-N 276.384 1.359 0 50 CDAA FC(F)(F)CN1CCN(C[C@H]2CCCNC2)CC1 61941404 QWEKGBRGCQTIPA-NSHDSACASA-N 265.323 1.166 0 50 CDAA CCc1[nH]nc(C(=O)NCC[C@@H]2CCCN(C)C2)c1C 67821594 BZYKQMIIMPLXRC-LBPRGKRZSA-N 278.400 1.742 0 50 CDAA C[C@H](CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N1CCOC[C@H]1C 253370236 OCUWOJHJGIJUTM-IBEHDNSVSA-N 296.455 1.889 0 50 CDAA NS(=O)(=O)c1cc(Cl)c(Br)cc1F 36533162 GOWWGEQRZSQSBM-UHFFFAOYSA-N 288.525 1.889 0 50 CDAA CC(C)[C@H](NC(=O)Cn1ccnc1)c1cccnc1 218963132 SLKRDJIGHDERRC-AWEZNQCLSA-N 258.325 1.792 0 50 CDAA CC[C@H](NC(=O)c1ccc(O)c(C)c1)[C@H]1C[C@H](O)C1 218957356 IWMOKHMYYCGYDS-XQQFMLRXSA-N 263.337 1.980 0 50 CDAA O=C(CCc1cnc[nH]1)N1CC2(CCOCC2)[C@H]1C1CC1 329331784 ZRXWVSRXKFQEEK-OAHLLOKOSA-N 289.379 1.760 0 50 CDAA COCC1(C(=O)O)CCN(C(=O)c2ccc(C)n2C)CC1 375658577 RLFMQNWEXUJEBS-UHFFFAOYSA-N 294.351 1.287 0 50 CDAA CC(C)c1noc(CCC(=O)N[C@]2(C)CCO[C@H]2C)n1 330860599 WDZGZYZHLKCRSH-IINYFYTJSA-N 281.356 1.809 0 50 CDAA CNc1nc(CN2CC[C@]3(C2)CN(C)C(=O)O3)cs1 72166862 IRWAKUMQBJIDJD-GFCCVEGCSA-N 282.369 1.211 0 50 CDAA O=C(N[C@@H](CCO)C1CCOCC1)c1cc(C2CC2)no1 331382969 JOGYCDXRCXYZAI-LBPRGKRZSA-N 294.351 1.459 0 50 CDAA COc1cc(F)c(C(=O)N2CCNC[C@@H]2C)cc1OC 126271816 OHSTWHSKDJORFP-VIFPVBQESA-N 282.315 1.277 0 50 CDAA O=C(NCc1cccc2ccccc12)[C@@H]1COCCO1 73917780 KCIMXTIDAZTETH-HNNXBMFYSA-N 271.316 1.871 0 50 CDAA CCN(C)C[C@H]1CCN(C(=O)c2ccc3cc[nH]c3n2)C1 331873280 KSKHBURJZJGTCY-GFCCVEGCSA-N 286.379 1.977 0 50 CDAA OCC(CO)n1ccnc1-c1ccc2nsnc2c1 71735980 OWRFWSTXRRAFNZ-UHFFFAOYSA-N 276.321 1.081 0 50 CDAA CC(C)=C(F)C(=O)N1CCNC[C@H]1c1nccn1C 375058042 GMJHXIOHDVXXEV-JTQLQIEISA-N 266.320 1.156 0 50 CDAA CCn1ccnc1CN(C)Cc1ccccc1OCCO 216256505 KXCCGDMRGVEHQZ-UHFFFAOYSA-N 289.379 1.906 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1ccc(-c2ncon2)cc1 237139984 SWJCARJRSBQDDW-ZDUSSCGKSA-N 286.335 1.561 0 50 CDAA O=C(NC[C@@H]1CCOC2(CCC2)C1)Nc1ccnnc1 333899513 SJGLRLIBYYETGK-LLVKDONJSA-N 276.340 1.947 0 50 CDAA CN(C)c1noc(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 337299871 QREZOXSQKRSFRF-UPJWGTAASA-N 294.399 1.651 0 50 CDAA O=C(/C=C/c1ccc2c(c1)CCO2)NCCc1cn[nH]c1 379839684 GEOOKRAIPZYXGV-DUXPYHPUSA-N 283.331 1.717 0 50 CDAA Cc1cc(C)n(CCNC(=O)c2cc(Cl)c[nH]2)c(=O)n1 426658584 VOFNFQXLVCQTQF-UHFFFAOYSA-N 294.742 1.272 0 50 CDAA CCc1[nH]nc2c1CN(C(=O)[C@@H](C)n1ccnc1)CC2 426382929 OLMMCUVSGAHNRX-SNVBAGLBSA-N 273.340 1.315 0 50 CDAA Cc1cccc(CNC(=O)N(CCO)CCN(C)C)c1 426621749 QGOUPHXVQGMGQY-UHFFFAOYSA-N 279.384 1.061 0 50 CDAA O=C(Nc1ccc(OCC(F)F)cc1)[C@H]1C[C@H]1C(=O)O 263560238 BIWINHXAHUMNFC-VHSXEESVSA-N 285.246 1.990 0 50 CDAA CC[C@H]1CN(c2ccccc2)CCN1C(=O)[C@@H](C)C(=O)O 263568993 YYLCVLCBXIASKQ-OLZOCXBDSA-N 290.363 1.835 0 50 CDAA CN(C)Cc1cccc(C(=O)N2CC=C[C@@H]2C(=O)O)c1 426661999 JNNABSRPFQZDPB-CYBMUJFWSA-N 274.320 1.213 0 50 CDAA O=C(CN1CCCC1=O)Nc1cccc(-n2cccn2)c1 49758681 OQOJTIMEQPVGKD-UHFFFAOYSA-N 284.319 1.433 0 50 CDAA O=C1NCC[C@@H]1N1CCC(COc2ccccc2)CC1 178192966 GEZNEAQQNJNSOD-HNNXBMFYSA-N 274.364 1.666 0 50 CDAA Cc1cc(C(=O)N(CCc2ccccc2)CC(=O)O)on1 178136909 CHMPXNMMBGLCHY-UHFFFAOYSA-N 288.303 1.753 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CCCc2ccccn2)C1 178266908 YQIXGSFZEBNLAS-LLVKDONJSA-N 262.309 1.337 0 50 CDAA C[C@]12CCN(c3cn[nH]c(=O)c3Cl)C[C@H]1C2(F)F 291848012 HEFNJHRVWYNZLI-XCBNKYQSSA-N 275.686 1.905 0 50 CDAA CC[C@H](NC(=O)c1ccc2c(c1)CCCO2)C(=O)O 426689836 HGNIWDLAVZJZND-NSHDSACASA-N 263.293 1.605 0 50 CDAA COc1ccc(CCC(=O)N(C)[C@@H]2CCNC2)cc1F 179057215 ARRBXYIEUGDLKZ-GFCCVEGCSA-N 280.343 1.587 0 50 CDAA C[C@H](C(=O)NCc1ncc(Cl)cn1)n1cccn1 426387308 QYNLTBNAPJAQNM-MRVPVSSYSA-N 265.704 1.204 0 50 CDAA COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 239212588 SZNNQBNLJSQTIT-DVZHBHJUSA-N 291.347 1.274 0 50 CDAA Cn1cc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)cn1 292896969 GFRSADNMSWYGKN-MRXNPFEDSA-N 298.390 1.353 0 50 CDAA CCCc1nnc(NCc2cccc(C(=O)NC)c2)o1 95365334 YNCOHBSBNPFBAL-UHFFFAOYSA-N 274.324 1.994 0 50 CDAA CCOCC1(CNC(=O)c2ccnn2C)CCC1 97681855 XRIRJJLZCLQXTA-UHFFFAOYSA-N 251.330 1.357 0 50 CDAA CCCc1nnc(NC2CCN(C(=O)NCC)CC2)o1 95375663 UMQPJJRZXBYYMY-UHFFFAOYSA-N 281.360 1.628 0 50 CDAA Cc1cnc(CNC(=O)c2cnc3ccnn3c2C)cn1 97775939 JNBPJIGKBRTXGD-UHFFFAOYSA-N 282.307 1.066 0 50 CDAA C[C@@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1 239128694 KQNZDYYTLMIZCT-UXXRCYHCSA-N 280.364 1.962 0 50 CDAA Cc1cc(C)c(C(=O)N[C@H]2COC3(CCCC3)C2)c(=O)[nH]1 91663051 PHLJYKICGXILHG-GFCCVEGCSA-N 290.363 1.823 0 50 CDAA O=C(Nc1ccc(-n2cncn2)cc1)NC1CCOCC1 95518773 DPQXHGJEJQWINN-UHFFFAOYSA-N 287.323 1.568 0 50 CDAA O=C(c1cccc(-c2ncn[nH]2)c1)N1CCC[C@H](O)CC1 294642641 DAXAVZUUYTYKAY-ZDUSSCGKSA-N 286.335 1.459 0 50 CDAA Cc1noc([C@@H]2COCCN2C(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 248509417 YXHNMOXVHUEAAF-CYDGBPFRSA-N 291.351 1.714 0 50 CDAA CN(CC(=O)NCCC[C@@H]1CCOC1)Cc1ccncc1 244852686 UWSNOHMZIXSMTP-OAHLLOKOSA-N 291.395 1.446 0 50 CDAA CC(C)[C@@H](CO)NC(=O)Cc1nnc(O)c2ccccc12 252500334 SSMCTSYJMWTVLF-CYBMUJFWSA-N 289.335 1.011 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)Cc1c(C)n[nH]c1C 534576713 GMNVSNGSJJQJFG-LLVKDONJSA-N 290.371 1.448 0 50 CDAA O=C(CCCn1cccn1)NCc1ccc(C(=O)O)cc1 262931507 XSJZOLLNXNKORN-UHFFFAOYSA-N 287.319 1.678 0 50 CDAA O=C1[C@@H]2NN=C(C(F)(F)F)[C@@H]2C(=O)N1Cc1ccccc1 263619723 FYHJTAMJTKXYFP-RKDXNWHRSA-N 297.236 1.062 0 50 CDAA N=c1[nH]c(-c2ccc3c(c2)OC(F)(F)O3)cc2nncn12 534644261 CNVXIZLYMRPDSU-UHFFFAOYSA-N 291.217 1.525 0 50 CDAA COCc1noc(CNC(=O)[C@H](C)N2CCCCCC2)n1 534583344 XJJNZPGQUNOEKR-NSHDSACASA-N 296.371 1.097 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)c1ccc2c(n1)N(C)CC2 1940197499 VKBYNZKXGUKQQP-CYBMUJFWSA-N 288.395 1.288 0 50 CDAA COC(=O)c1cccc(F)c1S(=O)(=O)Cl 146516058 FCTDEKSOHBAVEU-UHFFFAOYSA-N 252.650 1.540 0 50 CDAA O=C(O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1 299782386 JBMULZUXVBPWAA-CQSZACIVSA-N 265.284 1.882 0 50 CDAA C[C@@H](NC(=O)CNC(=O)N(C)C)c1nc2ccccc2[nH]1 299799768 ZXULHTULJUUGEQ-SECBINFHSA-N 289.339 1.011 0 50 CDAA Cc1csc(CCCNC(=O)c2cnc(C)nc2)n1 299760073 QLKINTMKEOJNHP-UHFFFAOYSA-N 276.365 1.913 0 50 CDAA C[C@H](Cn1cccn1)C(=O)NCc1ccc(F)cc1 827628056 MUBPFWDKDUBUCU-LLVKDONJSA-N 261.300 1.975 0 50 CDAA O=C1N[C@H](c2ccc(O)cc2)C(=O)N[C@H]1c1ccccc1 828321122 CLMCCWCMDGMYDT-UONOGXRCSA-N 282.299 1.421 0 50 CDAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1C=CCN1 584890570 RPIZCGGJMARRNZ-CQSZACIVSA-N 273.311 1.793 0 50 CDAA CN1CCN([C@H]2COC[C@@H]2NC2CCCCCC2)CC1 823792628 AHHJRLXEHOBGDQ-HOTGVXAUSA-N 281.444 1.314 0 50 CDAA O=C(NC[C@@H]1CCCN(Cc2ncc[nH]2)C1)c1ccoc1 828207364 GKZLJZSMKXQGQI-LBPRGKRZSA-N 288.351 1.645 0 50 CDAA CC(C)Cc1cc(CNC(=O)CCc2cn[nH]c2)on1 584893664 LYSOASIKERBTLN-UHFFFAOYSA-N 276.340 1.845 0 50 CDAA O=C(C[C@H]1CCOC1)N1CCN(CC2CCCC2)CC1 584891570 ZPGKUAOVZPZFRM-OAHLLOKOSA-N 280.412 1.747 0 50 CDAA CCCc1nc(NCCCN2CCCC[C@H]2CO)no1 670474176 KSXUMKQJDPXUSQ-LBPRGKRZSA-N 282.388 1.671 0 50 CDAA CCCCc1ncc(CN2CCCNC(=O)C2)[nH]1 670461379 IYXGZGKCYCMHBC-UHFFFAOYSA-N 250.346 1.074 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC3(COC3)C2)cc1 45028303 DVSLPPSXVDZQHH-UHFFFAOYSA-N 253.323 1.016 0 50 CDAA in-vitro CC[C@@H](CO)N(Cc1cccnc1)C(=O)CCOC 952979863 GFEVOWDOWWISGX-ZDUSSCGKSA-N 266.341 1.218 0 50 CDAA CN(CC[C@@H]1CCCCO1)S(=O)(=O)N1CCCC1 952971399 DDMWVDMDIQGOMG-LBPRGKRZSA-N 276.402 1.218 0 50 CDAA COc1cccc2ncn([C@H]3COCC[C@@H]3OC)c(=O)c12 1565505717 JNYVCDXXNIOYKX-RYUDHWBXSA-N 290.319 1.382 0 50 CDAA C[C@H]1CN(C(=O)CCc2cnccn2)C[C@]1(O)C1CC1 1565514775 XWUGUQPSUAXDBP-XHDPSFHLSA-N 275.352 1.029 0 50 CDAA O=C(O)c1cn2cc(F)cc(Br)c2n1 95635063 LBFJRGWQGMBRCK-UHFFFAOYSA-N 259.034 1.934 0 50 CDAA in-vitro Cc1nc(CN(C)S(=O)(=O)c2ccc(C)s2)no1 272248384 OQFLPKQBWPKHKI-UHFFFAOYSA-N 287.366 1.569 0 50 CDAA CCC[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](C)CO)CCO1 305837247 GBFAVXHZJATPPG-UMSGYPCISA-N 257.374 1.715 0 50 CDAA CC(C)(CO)NC(=O)c1cc(C2CCCCC2)n[nH]1 170069357 GTOCRJIAJKGHOC-UHFFFAOYSA-N 265.357 1.958 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)c2cnccn2)c(F)c1 170619594 OEELKKCHTNVZDV-UHFFFAOYSA-N 281.312 1.749 0 50 CDAA Cc1ccn(-c2ccc(NC(=O)[C@@H]3CC[C@@H]3C(N)=O)cc2)n1 577767869 NQZFOKXBVSNFDG-UONOGXRCSA-N 298.346 1.631 0 50 CDAA CCO[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1CN 631829729 YBXBSVUTUVPPNG-NVXWUHKLSA-N 290.407 1.555 0 50 CDAA C[C@]1(CNC(=O)c2c[nH]nn2)CCCN1Cc1ccccc1 188257059 OXZGTTGRDOCUCC-MRXNPFEDSA-N 299.378 1.589 0 50 CDAA COC[C@@H](Cc1ccccc1)N(C)S(=O)(=O)C1CC1 188361362 JGXDLEPZSKWDOF-CYBMUJFWSA-N 283.393 1.668 0 50 CDAA O[C@@H]1CCN(Cc2ccc3nccnc3c2)CC1(F)F 639311690 VIRFHGZRJZSKKI-CYBMUJFWSA-N 279.290 1.832 0 50 CDAA COc1cncc(CNC(=O)[C@H](C)CSC)c1 585131054 JWYWUPLROBJNES-SECBINFHSA-N 254.355 1.706 0 50 CDAA Cn1cccc1C(=O)NCCCOc1ncccn1 585129890 ATHXYQHBSLWRMD-UHFFFAOYSA-N 260.297 1.014 0 50 CDAA Cc1ccnc(NC(=O)C[C@@H]2CSCCS2)n1 194675402 CKCZWXVTQVYORG-SECBINFHSA-N 269.395 1.962 0 50 CDAA CC1(C)COC[C@H]1NC(=O)c1ccnc(C2CC2)n1 654126115 AQRSZZBSLLFCFX-LLVKDONJSA-N 261.325 1.509 0 50 CDAA C[C@@H](NC(=O)[C@@H](C(=O)O)C1CCCC1)C1CCN(C)CC1 663113146 GPTFUNQYNNLDSI-RISCZKNCSA-N 296.411 1.724 0 50 CDAA Cc1cc(F)c(C(=O)N2CCN[C@H](CCO)C2)cc1F 1616041386 QDWYLLSBYRGSTA-SNVBAGLBSA-N 284.306 1.070 0 50 CDAA CC(=O)N1CCC(NCCc2ccccc2F)CC1 213192 PEHPYGBIYRBDOC-UHFFFAOYSA-N 264.344 1.969 0 50 CDAA CN(C)c1nc(N[C@@H]2CCN(C(C)(C)C)C2)ncc1F 1506412481 DLIFEQFLXOPYEF-SNVBAGLBSA-N 281.379 1.966 0 50 CDAA CCc1c(C)noc1NC(=O)c1coc(CN)n1 1529120537 AEAVMANTLQICDL-UHFFFAOYSA-N 250.258 1.244 0 50 CDAA Cc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1C(=O)O 110987595 OPHQLUAFNHUHJB-SECBINFHSA-N 274.280 1.484 0 50 CDAA Cc1cnnc(N2C[C@H]3CCN(C)C(=O)[C@H]3C2)c1C 1857672427 BVMFERWUEAWXKX-NEPJUHHUSA-N 260.341 1.008 0 50 CDAA Cc1ncc(Cl)c(N2C[C@@H]3CNC(=O)C[C@@H]3C2)n1 1857686518 ZWVYJZIGAVHQPF-BDAKNGLRSA-N 266.732 1.011 0 50 CDAA CCOCC(=O)N1CCN(c2ccccc2OC)CC1 2734892 MPZAXQMPUMRUDZ-UHFFFAOYSA-N 278.352 1.380 0 50 CDAA O=C(COc1ccc(CO)cc1)NC1CC(F)(F)C1 614005701 WNZDDXBKIXKKPU-UHFFFAOYSA-N 271.263 1.472 0 50 CDAA O=C(CCOCC(F)(F)C(F)F)N1CCCCO1 225636127 AWHBLRJFLIFZMO-UHFFFAOYSA-N 273.226 1.848 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21 1704297073 GAFHUFJKPLXBCO-SCDSUCTJSA-N 265.332 1.993 0 50 CDAA Cc1noc(Cn2ccc3oc(=O)cc(C)c3c2=O)n1 1547204093 CIVARPINPNLZNW-UHFFFAOYSA-N 273.248 1.003 0 50 CDAA C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CCN 237707587 WUSRXIZZCVWDNT-GWCFXTLKSA-N 282.771 1.977 0 50 CDAA NC1(C(=O)N2CCc3cc(Cl)ccc3C2)CCOCC1 335192427 HZMDWAZUOQJOOH-UHFFFAOYSA-N 294.782 1.733 0 50 CDAA COc1ccc(F)cc1[C@H](C)NC(=O)C1(C(=O)O)CC1 118990057 BATNKSFEFOEHOZ-QMMMGPOBSA-N 281.283 1.876 0 50 CDAA CCC(CC)NC(=O)c1nnc(NCC2CC2)o1 849161593 CLNOCLNEWXQKTP-UHFFFAOYSA-N 252.318 1.810 0 50 CDAA C[C@]12C[C@H]1CN(C(=O)c1cccc(-n3cnnc3)n1)C2 1772819861 VWSVIEOJDFXDPE-IINYFYTJSA-N 269.308 1.144 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)C2CC2)c1 12404229 SRFXVQVJQFLBHF-AWEZNQCLSA-N 288.347 1.944 0 50 CDAA CN(C)CC[C@H]1CN(C(=O)C2CCCCC2)CCO1 12468781 CJPVCSHJAPLOIW-AWEZNQCLSA-N 268.401 1.746 0 50 CDAA O=C(NC1CCN(c2ncccn2)CC1)c1ccccc1 12916066 AZRBUVRPGBVZEX-UHFFFAOYSA-N 282.347 1.875 0 50 CDAA CC(=O)Nc1c(O)nc(SCc2ccccc2)[nH]c1=O 18093643 QQUJGZKBTNFTMT-UHFFFAOYSA-N 291.332 1.726 0 50 CDAA CCN1CCN(C(=O)Cc2ccccc2OC)CC1 19929719 BPSFVVCAZFCQNL-UHFFFAOYSA-N 262.353 1.402 0 50 CDAA c1cnc2c(c1)CN([C@@H]1CCOC3(CCNCC3)C1)CC2 1857680825 VONMVPPGSPPGOY-OAHLLOKOSA-N 287.407 1.741 0 50 CDAA O=C(O)[C@H]1COCCN(C(=O)CCc2ccccc2F)C1 1857683009 OTPAYBYPXQRGOS-GFCCVEGCSA-N 295.310 1.318 0 50 CDAA COc1ccc(C(=O)N2Cc3cnc(C)cc3C2)c(OC)n1 1857700172 BDLQEYAEEAWWEN-UHFFFAOYSA-N 299.330 1.958 0 50 CDAA N[C@H](CC(=O)O)Cc1ccc(Br)cc1 2385938 DAUFDZAPQZNOGC-VIFPVBQESA-N 258.115 1.794 0 50 CDAA in-vitro COc1ncccc1NC(=O)N1CC[C@H](C)[S@](=O)CC1 225394086 HGJSCDKBJIKCEZ-WVDJIFEKSA-N 297.380 1.465 0 50 CDAA CCN1CCN(C(=O)[C@@H](C)CSC)C[C@H]1c1ncc[nH]1 328632149 RQRIVUNTUNOGCY-RYUDHWBXSA-N 296.440 1.614 0 50 CDAA CC(=O)N[C@H](C)C(=O)N1CCC(Cc2cccnc2)CC1 330635346 UMMNYTVUUVRKNH-GFCCVEGCSA-N 289.379 1.387 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1(C(=O)O)CC1 237632390 PKMDDYIVEYMOIV-RYUDHWBXSA-N 259.305 1.832 0 50 CDAA COCC[C@@H]1CCCCN(C(=O)c2cnnn2C)C1 253395711 PJDHLDYCTDLOFS-NSHDSACASA-N 266.345 1.094 0 50 CDAA COc1ccc2[nH]c(C(=O)N[C@H]3C[C@@H](C(=O)O)C3)cc2c1 262812202 AFIVHOFWHSSCCD-AOOOYVTPSA-N 288.303 1.770 0 50 CDAA C[C@@H](NC(=O)c1cnc(C(=O)O)cn1)C1CCCCC1 263305844 VWMRJJROEWCKIH-SECBINFHSA-N 277.324 1.873 0 50 CDAA CCOC(=O)c1cnn(-c2cnc3ccccc3n2)c1N 35287586 PLIBOMRNIZZNPD-UHFFFAOYSA-N 283.291 1.574 0 50 CDAA in-vitro CN(C)C(=O)c1c[nH]nc1NCc1cc2n(n1)CCCC2 902659553 NZFRTHIKAJPSQF-UHFFFAOYSA-N 288.355 1.256 0 50 CDAA CCCN(C)CC(=O)N1CCc2occc2[C@H]1C(=O)O 910202381 IEEPXWABGAOBAQ-ZDUSSCGKSA-N 280.324 1.132 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCn2c(Cl)ccc2[C@@H]1C 861739734 UUHMPJPOKMUJHW-JTQLQIEISA-N 295.770 1.689 0 50 CDAA O=C(Nc1cccc(-n2cnnn2)c1)C1C[C@@H]2CC[C@H](C1)N2 1875267314 QYLHBSDHZSMVCS-VGPLMAKISA-N 298.350 1.131 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cc2c(nc1O)CCCC2 1875273301 NHQZASSXPZNVQW-QPJJXVBHSA-N 290.319 1.125 0 50 CDAA Cc1nnn(C)c1NC(=O)Cc1cccc(Cl)c1 1875331541 MINGYQILGFDVQH-UHFFFAOYSA-N 264.716 1.958 0 50 CDAA C[C@](O)(CN1Cc2cccc(-c3nn[nH]n3)c2C1)C(F)F 1875331017 LLRNEURYIHVNMR-ZDUSSCGKSA-N 295.293 1.198 0 50 CDAA Nc1ccc([C@@H]2CCCN2c2ncc(Cl)cn2)nn1 886086583 XDIPMQLZEXZLSM-JTQLQIEISA-N 276.731 1.844 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nc(C(C)C)n[nH]2)C1 888079176 HWTRRAAMLGKNMR-GHMZBOCLSA-N 290.371 1.613 0 50 CDAA COc1nn(C)cc1CNC(=O)[C@@H]1CCc2cccnc21 890027743 CHVKRMZENKZIOE-GFCCVEGCSA-N 286.335 1.170 0 50 CDAA Cn1ccc2[nH]c(C(=O)N3[C@H]4CC[C@H]3[C@@H](CO)C4)cc21 1775987644 NRPYULFAIYWEKK-NRUUGDAUSA-N 273.336 1.492 0 50 CDAA C[C@H](c1cccs1)N(C)C(=O)c1[nH]nc2c1CNCC2 188375337 DGLCHOZRHPJUIS-SECBINFHSA-N 290.392 1.950 0 50 CDAA CCc1ccnc(C(=O)N[C@H]2CCC[C@H]2CCO)c1 189104308 VYBUGGGOXDEFEC-STQMWFEESA-N 262.353 1.925 0 50 CDAA CN1CC2(CCN(C(=O)c3cccc4nc[nH]c34)C2)C1 614038017 JTNZNVPAJIAMCS-UHFFFAOYSA-N 270.336 1.341 0 50 CDAA O=C(c1n[nH]c2ccccc12)N1CCOCC12CC2 328682834 DEGZKGMCSAUMPH-UHFFFAOYSA-N 257.293 1.568 0 50 CDAA CC(C)(C)C1CC(NC(=O)N2CCC(O)CC2)C1 334711806 FGBLGNHJBZIHPT-UHFFFAOYSA-N 254.374 1.977 0 50 CDAA CN(C(=O)c1cnn2c1CCCC2)[C@H](CN)C1CC1 647085531 MMZUTLYWDFNJHB-CYBMUJFWSA-N 262.357 1.029 0 50 CDAA CCCc1cc(CNC(=O)c2c[nH]c(=N)s2)on1 584894345 NOUXUNXUOPHJFD-UHFFFAOYSA-N 266.326 1.426 0 50 CDAA Cc1ccc(-n2cc(CNC3CCN(C)CC3)nn2)nc1 899731210 UOJRRWAWRQOTFN-UHFFFAOYSA-N 286.383 1.155 0 50 CDAA CC1(CNC(=O)[C@]23CC[C@H]2CNC3)CC(F)(F)C1 1344531969 XVKMHBMVURQGMX-CABZTGNLSA-N 258.312 1.538 0 50 CDAA Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21 4414589 XUOQXJAMWYWMIL-UHFFFAOYSA-N 256.305 1.983 0 50 CDAA COc1cc2c(cc1-c1cnn(CC(=O)O)c1)OCO2 2100477141 JFQWQVPAUSWWRA-UHFFFAOYSA-N 276.248 1.372 0 50 CDAA CN(CCN)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 841205052 JPOIGIACKVWHSQ-UHFFFAOYSA-N 277.155 1.998 0 50 CDAA O=C(NCCn1cccc1)C1(Cc2cnn[nH]2)CCC1 2325773389 RYVAGGISZMZSKX-UHFFFAOYSA-N 273.340 1.135 0 50 CDAA NCCc1ccc(NC(=O)c2ccc(C(N)=O)o2)cc1 2325866022 YBJISSMXSSDYSH-UHFFFAOYSA-N 273.292 1.132 0 50 CDAA O=C(CSc1nnc2nc[nH]n12)[C@H]1Cc2ccccc21 1473092304 KPKGXNGZNODEJH-JTQLQIEISA-N 285.332 1.454 0 50 CDAA O=C(Cc1ccccc1)NN1C(=O)c2ccccc2C1=O 320044 GECBRYOXGAPTBT-UHFFFAOYSA-N 280.283 1.557 0 50 CDAA O=CN[C@@H](c1ccccc1)n1nnc2ccccc21 332070 SQUKXAOOVLZYMQ-CQSZACIVSA-N 252.277 1.724 0 50 CDAA COc1ccc(C(=O)[C@H]2COC(=O)C2)cc1OC 392980 MKWYWISNPJGVLR-SECBINFHSA-N 250.250 1.450 0 50 CDAA CC[C@H](Sc1nnnn1C)C(=O)Nc1nccs1 615958 DUPYYDZIXHSTEZ-LURJTMIESA-N 284.370 1.176 0 50 CDAA NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 1088182 ZSHHRBYVHTVRFK-UHFFFAOYSA-N 270.093 1.339 0 50 CDAA in-vivo COc1ccc(CN2CCC[C@@H](O)C2)cc1OC 3684383 GNPRZUFJSPOMEM-GFCCVEGCSA-N 251.326 1.661 0 50 CDAA CC(C)CCNC(=O)c1ccccc1NS(C)(=O)=O 4757050 DMYOCKWFHUUZKO-UHFFFAOYSA-N 284.381 1.834 0 50 CDAA CCSc1nnc(NC(=O)c2ccnn2C)s1 6741494 WGJAFSVNMILXAK-UHFFFAOYSA-N 269.355 1.636 0 50 CDAA NC(=O)[C@H]1CCC[C@@H](NC(=O)CC(F)(F)F)C1 133058134 LHTLXBZBZNLRTL-NKWVEPMBSA-N 252.236 1.099 0 50 CDAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)c1cccnc1S 225419009 JMONMGWCHQJTSS-SZEHBUNVSA-N 250.323 1.420 0 50 CDAA CC(C)[C@H]1C=CCN1C(=O)CSc1nnc(N)s1 55100126 YJQWGFUZMHPIJC-MRVPVSSYSA-N 284.410 1.635 0 50 CDAA Cc1nc(N(C)C)nc(N(C)Cc2cnn(C)c2C)c1C 65428699 IQXNGNMRXSWLLN-UHFFFAOYSA-N 288.399 1.838 0 50 CDAA Cc1cc(NC[C@H](O)c2cccnc2)nc(N2CCCC2)n1 65431996 MABOEFUEQYUAFZ-AWEZNQCLSA-N 299.378 1.926 0 50 CDAA COCC[C@H]1CN(Cc2ccc(O)c(C(=O)O)c2)CCO1 67966735 RLMAZMDRJLYTKI-LBPRGKRZSA-N 295.335 1.328 0 50 CDAA C[C@H]([C@H](O)c1ccc2c(c1)CCCO2)N1CCOCC1 25578600 COMWJMCMWOQQQX-WBMJQRKESA-N 277.364 1.766 0 50 CDAA CCc1cnc(C)nc1N(C)Cc1cnc(NC)nc1 65405887 CVJCNXWZNDDCQS-UHFFFAOYSA-N 272.356 1.816 0 50 CDAA CCNC(=O)c1ccc(NCCC(=O)N2CCCC2)nc1 301228392 IBCAVQYTFKHYSR-UHFFFAOYSA-N 290.367 1.256 0 50 CDAA COc1ccc(-c2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1OC 65493839 RQTCZUZHGSRALB-UHFFFAOYSA-N 292.291 1.064 0 50 CDAA Cc1cc(-c2nn3c(-c4ccncc4)nnc3s2)n(C)n1 36358580 KROBQLRXUFRPFV-UHFFFAOYSA-N 297.347 1.957 0 50 CDAA O=S(=O)(CC1CCCC1)NCC1=CCCOC1 329303378 WUCBLYQYBZGFGV-UHFFFAOYSA-N 259.371 1.443 0 50 CDAA O=C(NCc1ccc(Cl)cc1)NC[C@H]1CNCCOC1 72158292 QDUUTFXUGXWAEM-GFCCVEGCSA-N 297.786 1.375 0 50 CDAA CC1CCN([C@H](C)CNC(=O)c2ccon2)CC1 330543842 BGJSPUKAYVPDLJ-LLVKDONJSA-N 251.330 1.525 0 50 CDAA CC1(C)CCCN1C(=O)NCCN1CCCOCC1 253426358 ZMEUSBSDLLQIAI-UHFFFAOYSA-N 269.389 1.293 0 50 CDAA Cc1ncsc1C(=O)N(C)C[C@H]1CCn2ccnc2C1 328617252 CODIRUJHLASTFS-NSHDSACASA-N 290.392 1.983 0 50 CDAA CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ncc[nH]1 328622237 IIBAHDCMCXMYOT-XQQFMLRXSA-N 274.368 1.271 0 50 CDAA COCc1ncc(CN(C)Cc2c(C)noc2C)cn1 216166016 WZBZJQXBSCZPJQ-UHFFFAOYSA-N 276.340 1.860 0 50 CDAA Cc1nnc(CCNC(=O)c2c(C)nn(C)c2C)s1 219896924 VOQRTVCSJNHVCH-UHFFFAOYSA-N 279.369 1.169 0 50 CDAA COC(=O)[C@H]1CCc2nnc(Cc3ccc(F)cc3)n2C1 260494146 SUKQZZVWPJWAAC-NSHDSACASA-N 289.310 1.743 0 50 CDAA CC1=NO[C@H](C(=O)N2CCC(c3ccncc3)CC2)C1 71761446 RTRPMLLSIYNNOR-AWEZNQCLSA-N 273.336 1.952 0 50 CDAA COc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)on1 331965016 SWBJDQMAZFSVAQ-UHFFFAOYSA-N 292.295 1.394 0 50 CDAA CC1=NN(CC(=O)N[C@@H](C)c2nc(C(C)C)no2)CC1 71748822 JKXPEXDUXLGAMM-JTQLQIEISA-N 279.344 1.452 0 50 CDAA Cn1c(=O)[nH]c2ccc(C(=O)N(CC(F)F)C3CC3)cc21 127289735 HQFXXKYCCTXJRT-UHFFFAOYSA-N 295.289 1.736 0 50 CDAA C[C@@H]1COCCN(c2ccc3nnc(C(F)F)n3n2)C1 371097133 BEANUBNXIMJFDJ-QMMMGPOBSA-N 283.282 1.535 0 50 CDAA CSCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C 237302632 VIRCTFGXDBXASD-RDBSUJKOSA-N 299.484 1.541 0 50 CDAA Cc1nn(C(F)F)c(C)c1CC(=O)N[C@]1(C)CCOC1 157528514 JRHIJNSHQRSMNK-CYBMUJFWSA-N 287.310 1.733 0 50 CDAA CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H](N)C1 157984786 VXNKGFBIYIRZPC-CYBMUJFWSA-N 291.395 1.190 0 50 CDAA COC[C@]1(C(=O)O)CCCN(C(=O)CCC2CCC2)C1 262881955 KRVIKDMUGSZKCV-HNNXBMFYSA-N 283.368 1.907 0 50 CDAA CNC(=O)c1cccnc1-c1ccc(CC(=O)O)cc1 215358610 RNJXXIMPFFONST-UHFFFAOYSA-N 270.288 1.735 0 50 CDAA O[C@H](CN=c1cccc(-n2ccnc2)[nH]1)c1cccc(F)c1 378193611 YLXHQYXKJFLSOQ-CQSZACIVSA-N 298.321 1.974 0 50 CDAA O=C(NC[C@H]1CCOC1)[C@H](CO)c1ccc(F)cc1 240555667 GXBBWLOARYOZGY-ZWNOBZJWSA-N 267.300 1.054 0 50 CDAA Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 44804456 JNFGCONFCCQYHO-UHFFFAOYSA-N 292.360 1.621 0 50 CDAA COCc1cc(NC(=O)N[C@]23C[C@H]2COC3(C)C)ncn1 529024477 PXILYXCVXJIYJU-LKFCYVNXSA-N 292.339 1.312 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2ccc(C)n(C)c2=O)C1 426419991 LOTUSOZVIHENJQ-ZDUSSCGKSA-N 292.379 1.582 0 50 CDAA Cc1nnc2ncc(-c3ccc4c(c3)OCCO4)cn12 426589999 PMDRZVAMVTVESJ-UHFFFAOYSA-N 268.276 1.871 0 50 CDAA CC(=O)Nc1ccc(C(=O)O[C@H](C)CN(C)C)cc1 143841646 QLYIOURIXWBCJF-SNVBAGLBSA-N 264.325 1.752 0 50 CDAA Cc1ccccc1C1(C(=O)N2CC[C@H](C(=O)O)C2)CC1 178271421 POANETSBOCVQMW-LBPRGKRZSA-N 273.332 1.960 0 50 CDAA Cc1ccn2c(C(=O)NCCc3ccc(C)o3)nnc2n1 426606794 STZGHHODNPRRDV-UHFFFAOYSA-N 285.307 1.307 0 50 CDAA COCCc1noc([C@H](C)NC(=O)c2cc(Cl)c[nH]2)n1 426711949 AIBGHFLAGGLLDE-ZETCQYMHSA-N 298.730 1.731 0 50 CDAA CCc1nnc(CN(C)c2cc(C3CC3)ncn2)o1 91440379 QEIDWGTUDYPDJI-UHFFFAOYSA-N 259.313 1.936 0 50 CDAA C[C@H]1CN(CC(=O)O)C[C@H](c2ccc(F)cc2)O1 266047837 YAPUTKYUJBCMSS-JOYOIKCWSA-N 253.273 1.672 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)NCCN1CCNC1=O 91644562 OPORAQHYFXKOPQ-UHFFFAOYSA-N 296.396 1.330 0 50 CDAA COCC1(C(=O)N[C@H](CO)Cc2ccccc2)CCC1 97088378 CAYITRBFTKMPGP-AWEZNQCLSA-N 277.364 1.523 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)O)C1 97759112 YNVGTUFITNZFBB-UFBFGSQYSA-N 259.302 1.079 0 50 CDAA Cc1cc(C)nc(CN2C[C@@]3(CCOC3)CCC2=O)n1 91757152 UMTQBHUXLBSLLJ-HNNXBMFYSA-N 275.352 1.623 0 50 CDAA Cc1ccc2nc(C)c(C)c(C(=O)N3CC(O)C3)c2c1 97775837 BJWHXKHUXYKBOY-UHFFFAOYSA-N 270.332 1.977 0 50 CDAA Cc1cnccc1CN1CCC(N2CCC[C@H](O)C2)CC1 244701308 KDXASKYJJJFPFS-KRWDZBQOSA-N 289.423 1.811 0 50 CDAA NC[C@H](c1cccc(F)c1)N1CC[C@@H](C(=O)O)C1 247709517 HUHSLLFICFTBSZ-ZYHUDNBSSA-N 252.289 1.232 0 50 CDAA COc1ccc(C(=O)N[C@H]2C[C@@H](O)C2)cc1OC(F)F 298565197 ZXWWQORACUAWDY-DTORHVGOSA-N 287.262 1.550 0 50 CDAA CC[C@H]1[C@H](NC(=O)c2cccc(O)n2)[C@H]2CCO[C@@H]12 1074572952 CAAJSAKEHUVVAU-FQPOAREZSA-N 262.309 1.331 0 50 CDAA Cc1nnc(CN(C)C(=O)[C@@H](CO)c2ccccc2)s1 620846758 FZONRXZWXIGJOA-LBPRGKRZSA-N 291.376 1.581 0 50 CDAA CC(C)NC1CCN(C(=O)N[C@H]2CCCOCC2)CC1 181804103 BASQNFCHNUVJIP-ZDUSSCGKSA-N 283.416 1.728 0 50 CDAA Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2ccncc2)n1O 604404179 DUJKWLOQUWSETI-GFCCVEGCSA-O 276.316 1.168 0 50 CDAA biogenic CCO[C@H]1COC[C@@H]1NC(=O)Cc1ccccc1OC 534631108 SLJNFVCUZNRRBL-JSGCOSHPSA-N 279.336 1.158 0 50 CDAA CCn1ncc(CNC(=O)Cc2c(C)n[nH]c2C)c1C 534656787 QBCLQWTYKYEFKV-UHFFFAOYSA-N 275.356 1.410 0 50 CDAA O=C(NC[C@@H]1CCNC[C@H]1O)c1sccc1Cl 534654382 VCGKCLSSSZMNCH-IONNQARKSA-N 274.773 1.102 0 50 CDAA Cc1ccc(NC(=O)C2(N)Cc3ccccc3C2)cn1 648150565 MWBQDDKZMFGZMR-UHFFFAOYSA-N 267.332 1.825 0 50 CDAA CN(C[C@@H]1CCN(C)C1(C)C)C(=O)CCc1cn[nH]c1 299797029 PEUMSQARNVWZCW-ZDUSSCGKSA-N 278.400 1.531 0 50 CDAA CN1CCO[C@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)C1 566279761 RCCCYVLEPOTXOO-AVGNSLFASA-N 252.358 1.108 0 50 CDAA CCc1csc(CNS(=O)(=O)N(C)C(C)C)n1 823542180 DIBZMQUXAJEXMU-UHFFFAOYSA-N 277.415 1.380 0 50 CDAA CCc1nccn1CCCNC(=O)c1ccnc(OC)c1 823557085 AWRMDXCMMHYRBT-UHFFFAOYSA-N 288.351 1.669 0 50 CDAA COc1cc2ncn(Cc3ccon3)c(=O)c2cc1OC 584896460 QKMYZJYJBATHPN-UHFFFAOYSA-N 287.275 1.450 0 50 CDAA O=c1c2ncccc2ncn1CCc1cn2ccccc2n1 584891166 SVYIUKGNIFAYLF-UHFFFAOYSA-N 291.314 1.682 0 50 CDAA Cc1cc(CN(C)C(=O)CCC(=O)N(C)C)ccn1 584893238 QCICXTBFTMKWOO-UHFFFAOYSA-N 263.341 1.217 0 50 CDAA Cc1cccnc1C[C@H](C)NC(=O)c1cncn1C 584889729 RRCNHVXEUYKNHY-NSHDSACASA-N 258.325 1.485 0 50 CDAA COCC[C@@H]1CCCN(C(=O)CCCN2CCCC2=O)C1 584897975 FAAWCNHYSBGRGA-AWEZNQCLSA-N 296.411 1.664 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCCc1cccs1 584900776 DEMCDEGIWOCYSR-KBPBESRZSA-N 296.436 1.906 0 50 CDAA CCOCCC(=O)N(C)C[C@H]1CCN(C)C1(C)C 584887489 GJEUOABMLMQDAV-GFCCVEGCSA-N 256.390 1.602 0 50 CDAA Cc1cc(CN[C@H]2Cc3ccccc3NC2=O)n[nH]1 1329733903 BTWLBLAXQBOUNL-ZDUSSCGKSA-N 256.309 1.371 0 50 CDAA Cn1ccnc1C(=O)N1CCc2ccccc2CC1 741264404 QICDHHDACOIISX-UHFFFAOYSA-N 255.321 1.661 0 50 CDAA C=CC(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1338390816 YLJMRYRRTSJYKI-JTQLQIEISA-N 282.365 1.300 0 50 CDAA C[C@@H]1N[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)CC[C@@H]1N 757211877 KQKXTGCKNQULAL-HPENLJRUSA-N 265.323 1.385 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@@]2(CC[C@H](C(=O)O)C2)C1 91303342 LPLQXAWIGJNCNI-IINYFYTJSA-N 285.340 1.877 0 50 CDAA in-vitro C[C@@H]1C[C@H](C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)CO1 408413871 WLDJLDNENRXZOX-WXHSDQCUSA-N 288.347 1.102 0 50 CDAA COC(=O)c1cnnc(N2C[C@H](C3CC3)O[C@H](C)C2)c1 408524221 RGXKUVQUDQTEIN-BXKDBHETSA-N 277.324 1.267 0 50 CDAA O=C(NCCc1ccccc1)c1c[nH]nc1[C@H]1CCOC1 275272955 JQCVLQIKLWVELS-ZDUSSCGKSA-N 285.347 1.886 0 50 CDAA Cc1conc1Cn1cnc(C)c(Br)c1=O 720375217 UTCLIPCJPKXRPY-UHFFFAOYSA-N 284.113 1.659 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1c1ccc(O)nn1 628989063 OAKOIHDLMNSWRS-GVXVVHGQSA-N 291.351 1.661 0 50 CDAA CC(=O)Nc1cc(C(=O)N2CCC(=O)[C@@H](C)C2)ccc1F 170601716 IORWBWZRTIIFPX-VIFPVBQESA-N 292.310 1.835 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)C(=O)C1(C(=O)O)CC1 545244925 GGHLADLRCKQEMA-UHFFFAOYSA-N 273.292 1.386 0 50 CDAA C[C@H](C(=O)N1CC[C@H](C(=O)O)[C@H]2CCC[C@H]21)n1cccn1 630285053 YZROXMQTDPIFBU-FVCCEPFGSA-N 291.351 1.546 0 50 CDAA CO[C@@H]1CCC[C@H](CC(=O)N2CCC(C(=O)O)CC2)C1 668266676 RDCSDXIIMFFBBR-WCQYABFASA-N 283.368 1.905 0 50 CDAA c1ccc([C@H]2C[C@H]2N2CCO[C@@H](Cn3ccnn3)C2)cc1 639854507 HCMOSIXKYFRVGK-BZUAXINKSA-N 284.363 1.535 0 50 CDAA O[C@]1(Cn2cc(-c3ccccc3)nn2)CCCOC1 641217334 GYQMGIOAAKUTEI-AWEZNQCLSA-N 259.309 1.487 0 50 CDAA O=C(NCCCOc1ccccc1)c1cnn2ccncc12 189857120 KGUYSPRIDMASTK-UHFFFAOYSA-N 296.330 1.928 0 50 CDAA CCNC(=O)NC[C@@H](ONC(=O)OC(C)(C)C)C(C)C 585114795 ZXGKLFRCNJKZOK-SNVBAGLBSA-N 289.376 1.786 0 50 CDAA Cc1ccc(O)cc1C(=O)N1C[C@H](C)N(C)C[C@H]1C 585135287 AGBYZSGOMGHARG-NWDGAFQWSA-N 262.353 1.865 0 50 CDAA Cc1oc(NC(=O)COC[C@@H]2CCCO2)nc1C1CC1 585125375 PSQCDIIEMJLGHB-NSHDSACASA-N 280.324 1.995 0 50 CDAA O=C(NC1(CO)CCSCC1)[C@@H](CO)c1ccccc1 585110724 HTZZTTCXCIOOLF-ZDUSSCGKSA-N 295.404 1.137 0 50 CDAA Cc1cc(COc2ccc(C(=O)NC[C@H](C)O)cc2)no1 194480804 PSYGZZSREHELDT-JTQLQIEISA-N 290.319 1.673 0 50 CDAA c1nc(-c2noc([C@@H]3CCCc4nn[nH]c43)n2)co1 663160679 MEYRUHPMQCVWQV-ZCFIWIBFSA-N 258.241 1.311 0 50 CDAA N[C@]12CCC[C@H]1CN(C(=O)c1nncc3ccccc13)C2 1614616058 TWJFIPBLVNZXIE-LRDDRELGSA-N 282.347 1.583 0 50 CDAA O=C(NCC(F)(F)C1(O)CCCCC1)C1CCOCC1 1615058497 PMCVLTSMWIFTAD-UHFFFAOYSA-N 291.338 1.860 0 50 CDAA COc1cc(CCNC(=O)[C@H]2C[C@@H]3[C@@H](N)C[C@H]3C2)ccn1 1615544362 AZJPYHIJVHPYDG-MQYQWHSLSA-N 289.379 1.122 0 50 CDAA CC(C)(C)c1cnc(NCC2(OCCO)CCOCC2)o1 1615614702 QRYCJANBWYLNHE-UHFFFAOYSA-N 298.383 1.942 0 50 CDAA COC1(c2ccnn2C)CN(c2ncnc3c2CCCC3)C1 1646641021 YFLWQJDZRACTDW-UHFFFAOYSA-N 299.378 1.451 0 50 CDAA Cc1cc(C)n(C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 315964 UEZOICZTUUDXEJ-NSHDSACASA-N 297.314 1.825 0 50 CDAA COc1ccc(O[C@H](C)C(=O)NC[C@H]2CCCO2)cc1 514414 GOBAIIFKKDOXSS-BXUZGUMPSA-N 279.336 1.758 0 50 CDAA Cc1cc(C)c2[nH]ccc(=NC[C@H]3CN(C)CCN3C)c2c1 1506399571 AQOJMRGOVBEBSZ-HNNXBMFYSA-N 298.434 1.931 0 50 CDAA O[C@H]1CN(c2ccc(Cl)cn2)C[C@@H]1N1CCCCC1 1506407182 PEBAGHJCCUCRIB-STQMWFEESA-N 281.787 1.770 0 50 CDAA C[C@H](N)[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H](C)C1 221210155 XKCHECPTLKRQOW-FRRDWIJNSA-N 289.445 1.165 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2cnsc2)n[nH]1 1857699090 HNASJHDFBKRJIM-SSDOTTSWSA-N 250.327 1.536 0 50 CDAA CC[C@H](Cn1ccnc1)Nc1nc(N)c2cnn(C)c2n1 1529120413 ZIHUYOSVGSFZGP-SECBINFHSA-N 286.343 1.033 0 50 CDAA COc1ccccc1OCCC(=O)N1CC[C@@H](N)C1 237141628 YGVBWFLVUWVXDZ-LLVKDONJSA-N 264.325 1.024 0 50 CDAA Cc1cc(CCNC(=O)CC2(O)CCC2)cc(C)c1O 451082504 GLEULDSJENQXDM-UHFFFAOYSA-N 277.364 1.973 0 50 CDAA CC(C)N1C[C@@H](CN(C)CCc2cn[nH]c2)CCC1=O 1772816229 LDNNUHWDMPAKPD-CQSZACIVSA-N 278.400 1.531 0 50 CDAA OCC1(CO)[C@@H]2CN(Cc3c(F)cccc3Cl)C[C@H]21 1772705382 MMNPCMCIKNKNQX-GHMZBOCLSA-N 285.746 1.512 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CC(=O)n3ncnc3N2)cc1 13124617 YDDIVYWCRMJZNP-SNVBAGLBSA-N 271.280 1.050 0 50 CDAA COc1ccc2nc(Cn3cnc4cc[nH]c4c3=O)[nH]c2c1 1857673016 LSLUOXJFOWRIKZ-UHFFFAOYSA-N 295.302 1.658 0 50 CDAA Cc1cnnc(N2CCN(CC3CC3)[C@H](CCO)C2)c1C 1857680739 NPAJXXQDERFAQX-OAHLLOKOSA-N 290.411 1.376 0 50 CDAA CN1CCc2cc(-c3nc[nH]c4nccc3-4)cnc21 1875240678 DOAQKWVUBUEFPW-UHFFFAOYSA-N 251.293 1.964 0 50 CDAA CCn1nnc(=NC(=O)[C@@H](C)Oc2cccc(Cl)c2)[nH]1 1875243952 FUTOXOMXUNAJBW-MRVPVSSYSA-N 295.730 1.174 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@]2(CCCC[C@H]2N)C1 306140503 UVNQOHDCZZUHKK-BXUZGUMPSA-N 270.373 1.894 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cn(C)nc1C 328635659 NNVPHVPHUJDLLK-KBPBESRZSA-N 289.383 1.565 0 50 CDAA COc1ccc(CC(=O)N[C@H](C)Cn2cncn2)cc1F 123353249 FCBIIADWUCXPQO-SNVBAGLBSA-N 292.314 1.173 0 50 CDAA CN(C)C(=O)c1ccc(NC(=O)C[C@@H]2CCOC2)nc1 330954918 AUIUJDRHZSUAOA-JTQLQIEISA-N 277.324 1.149 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 238098041 LXCFSECMZDVPQB-QMMMGPOBSA-N 276.267 1.854 0 50 CDAA Cc1ccccc1OCCNC(=O)N1C[C@H](F)C[C@@H]1CO 346749421 MNNRYEFESAXLMI-CHWSQXEVSA-N 296.342 1.488 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1n[nH]c2c1CCCC2 680599891 YPAXAVXDURCLAJ-STQMWFEESA-N 293.367 1.212 0 50 CDAA COc1ccc(CN(C)C(=O)[C@@H]2CSCN2)cc1C 157486563 PZSUHWIEBYILTD-LBPRGKRZSA-N 280.393 1.625 0 50 CDAA CCOc1ccccc1CN1CCN(CC(=O)O)[C@H](C)C1 263572624 LDVJAZVIBJGFTE-CYBMUJFWSA-N 292.379 1.676 0 50 CDAA COc1ccsc1C(=O)N1CC2(CN(C)C(=O)O2)C1 497100035 PWGNWHBLGVEZCK-UHFFFAOYSA-N 282.321 1.033 0 50 CDAA O=C(Nc1ccon1)[C@@H]1CCS(=O)(=O)c2ccccc21 802988381 BJYUSTBCMQFIIP-SNVBAGLBSA-N 292.316 1.574 0 50 CDAA C=CC(=O)N[C@H](C1CCOCC1)C1(CO)CCC1 820436930 SCNJFLOHSSUMIS-CYBMUJFWSA-N 253.342 1.246 0 50 CDAA C=CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1O 820437007 YOWGWZCQLJGTBN-BDAKNGLRSA-N 263.297 1.053 0 50 CDAA O=C(c1ccccc1C1CCC1)N1CCN2C(=O)NC[C@@H]2C1 934285734 OPNOBNXYOONKPM-CYBMUJFWSA-N 299.374 1.804 0 50 CDAA COC(=O)C[C@](C)(NC(=O)CCc1cscn1)C1CC1 871232727 UUFYXMHJORGVFA-AWEZNQCLSA-N 296.392 1.924 0 50 CDAA CCNC(=O)N1CCO[C@H](c2noc(C3CC3)n2)C1 871623023 GJCQTYAGKFRRES-VIFPVBQESA-N 266.301 1.050 0 50 CDAA CC1(C)CN(C(=O)CCC2CCNCC2)CC[C@H]1N 952845052 MOIJMARYLTZYHH-CYBMUJFWSA-N 267.417 1.352 0 50 CDAA Cc1cc(O)ccc1CC(=O)NCCn1ccnc1C 952884189 VTNVSSHFLFSGOE-UHFFFAOYSA-N 273.336 1.564 0 50 CDAA CC(C)(C)c1nc(CNc2n[nH]cc2C(N)=O)cs1 952876582 CHCOWVKJPPSYPH-UHFFFAOYSA-N 279.369 1.875 0 50 CDAA Cc1cc(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)n(C)n1 237371436 HUXGAPNAEFHECL-MRVPVSSYSA-N 265.313 1.054 0 50 CDAA CCCn1cc(CNS(=O)(=O)c2ccc(C)cc2)nn1 952994096 PMNZMPVORCBDPY-UHFFFAOYSA-N 294.380 1.475 0 50 CDAA Cc1noc([C@H]2CCN(C(=O)c3cccc(O)c3F)C2)n1 1875284520 YEPWGYNCWZENAF-VIFPVBQESA-N 291.282 1.852 0 50 CDAA O=C(N[C@]1(c2ccccc2)C[C@H](O)C1)[C@@]12C[C@@H](F)[C@@H]1C2 1875395130 MPBBFOYXNIGIGV-PLPKTUSISA-N 275.323 1.901 0 50 CDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2cc[nH]c2)C1 886077767 FLGYPQGULVGMQR-MCIONIFRSA-N 277.368 1.386 0 50 CDAA CO[C@H]1CCN([C@H]2CCC[C@H]2NCCc2cn[nH]c2)C1 1775959661 NZTOHVCUFIRMFH-ZNMIVQPWSA-N 278.400 1.184 0 50 CDAA COc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)c1OC 268933973 ZVHNYUAIQGRVLF-ZJUUUORDSA-N 279.292 1.041 0 50 CDAA CC(C)CNC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 276833360 FWMIDCDUWCJXAG-JTQLQIEISA-N 299.396 1.350 0 50 CDAA CCN(Cc1ccoc1)Cc1nc(COC)no1 55393724 REWOSSLWRQKBOI-UHFFFAOYSA-N 251.286 1.831 0 50 CDAA CCc1ccsc1C(=O)N[C@H]1C[C@H](C(=O)O)C1 568284298 BOSJBWGHQSYXHY-KYZUINATSA-N 253.323 1.904 0 50 CDAA O=S1(=O)[C@H]2CC[C@H]1CN(Cc1ccc(F)cc1)CC2 528777431 VIMWGJGGSZDZGO-KBPBESRZSA-N 283.368 1.977 0 50 CDAA O=C(NCc1ccccc1)N[C@H]1CCNC12CCC2 529284904 ZYGKLPCJGSYIPW-ZDUSSCGKSA-N 259.353 1.770 0 50 CDAA CCc1n[nH]c(=NCC2(N(C)C)CCCC2)s1 534631129 GFIMPUNJNYASGD-UHFFFAOYSA-N 254.403 1.809 0 50 CDAA CN1CCC(CN(C)C(=O)CCc2cn[nH]c2)CC1 629956862 CHMNLXVZTJXJCD-UHFFFAOYSA-N 264.373 1.143 0 50 CDAA COc1cccc(C(=O)N2CC[C@@H]3NCCC[C@H]3C2)c1 715028240 PASSCLKLOOOUSI-ZFWWWQNUSA-N 274.364 1.909 0 50 CDAA O=C(CCc1ccsc1)NC1(c2nn[nH]n2)CCC1 1413506498 GPLCLVLQQBPADD-UHFFFAOYSA-N 277.353 1.389 0 50 CDAA O=C(NCC1[C@H]2CNC[C@H]12)c1ccc(-c2cc[nH]n2)s1 2325800697 BWLGLLGROJZDNI-IUCAKERBSA-N 288.376 1.333 0 50 CDAA O=C1Cc2cccc(NS(=O)(=O)c3ccco3)c2N1 2325866166 CBQFAPVMGYVAHD-UHFFFAOYSA-N 278.289 1.575 0 50 CDAA CN[C@H](C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 2325871272 FWNFCEYGFIJIOD-SNVBAGLBSA-N 292.360 1.253 0 50 CDAA CN(CCc1ccccn1)S(=O)(=O)c1ccccc1 858668 JKYBAELAPSIORH-UHFFFAOYSA-N 276.361 1.945 0 50 CDAA COc1ccc(CC2C(=O)OC(C)(C)OC2=O)cc1 2372622 QVRJFMPDKSMYSN-UHFFFAOYSA-N 264.277 1.690 0 50 CDAA Cn1cncc1C(=O)N=c1[nH][nH]c2cc(Cl)ccc12 2356149463 BISLXDIMIAXZER-UHFFFAOYSA-N 275.699 1.624 0 50 CDAA CCN(CC)C(=O)C(=O)Nc1c(F)cccc1F 2840475 ODZASSNMNUIAPC-UHFFFAOYSA-N 256.252 1.772 0 50 CDAA CCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 2855841 JNTOAQVMERFDAK-UHFFFAOYSA-N 284.381 1.183 0 50 CDAA COCCNC(=O)COc1ccc(C(C)C)cc1 2989835 CSQYYOGMELPQLV-UHFFFAOYSA-N 251.326 1.951 0 50 CDAA CC(C)C[C@H](NS(=O)(=O)c1cccs1)C(=O)O 4222981 GUFIXTKYQDLBNA-QMMMGPOBSA-N 277.367 1.526 0 50 CDAA CCc1ccc(OCC(=O)Nc2nnn(CC)n2)cc1 4501752 LIWQNFWERCBSTC-UHFFFAOYSA-N 275.312 1.273 0 50 CDAA CN(C)CCNS(=O)(=O)Cc1ccc(Cl)cc1 10111704 DQEAMWJKNZFPTL-UHFFFAOYSA-N 276.789 1.321 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2CCn2cccn2)c1 225727245 UTQJVISSKLDAJG-GOEBONIOSA-N 287.363 1.700 0 50 CDAA O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccoc1 112031631 BDYKHOSJQLQUED-MRVPVSSYSA-N 276.214 1.173 0 50 CDAA COc1cccc(SCC(=O)NCC2(C)COC2)c1 112618755 FPHLWTYQDKYMPN-UHFFFAOYSA-N 281.377 1.940 0 50 CDAA O=C1NCCCc2[nH]c(-c3noc(C4CCCC4)n3)nc21 65404272 DMTAPJOETJLTJE-UHFFFAOYSA-N 287.323 1.793 0 50 CDAA CCC[C@@H](NC(=O)C[C@H]1CCCCO1)c1nnn[nH]1 136649934 RHTYBIUEHXIYGQ-NXEZZACHSA-N 267.333 1.116 0 50 CDAA CC(=O)NC(C)(C)c1noc([C@H]2CC23CCOCC3)n1 350300233 MQMYRPZEKBQPGM-SNVBAGLBSA-N 279.340 1.725 0 50 CDAA C[C@@H]1C[C@H]1c1ccc(CN(CC(N)=O)C[C@H]2CCCO2)o1 252498235 UHFAWLXFHUMFLW-YRGRVCCFSA-N 292.379 1.869 0 50 CDAA C=CC(=O)NCCNC(=O)c1cc2ccccc2[nH]1 171781481 XETVWBSGQPZLMU-UHFFFAOYSA-N 257.293 1.200 0 50 CDAA O=C(Nc1ccn2ccnc2c1)N1CCC[C@H](O)C1 281057084 RKRCIQRTISAMTO-NSHDSACASA-N 260.297 1.323 0 50 CDAA Ic1cnn(Cc2cccnc2)c1 38537883 CYDDDZSHUDUZPN-UHFFFAOYSA-N 285.088 1.931 0 50 CDAA in-vitro Cc1n[nH]c(-c2ccc(NC(=O)[C@@H]3CCCO3)cc2)n1 127707763 BGWBQCLQVJYCBI-LBPRGKRZSA-N 272.308 1.898 0 50 CDAA Cc1ccc(C2(C(=O)N(C)CC(=O)O)CCOCC2)cc1 153125489 JRZRTDLEDAJCEJ-UHFFFAOYSA-N 291.347 1.586 0 50 CDAA O=C(NCCc1cccs1)[C@@H]1NCCc2[nH]cnc21 72478842 XYALFHSBQGZAKB-GFCCVEGCSA-N 276.365 1.017 0 50 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Cc1oncc1C(=O)NC[C@H](C)Oc1cccnc1 219124242 CEFWOFSMFQEOLM-VIFPVBQESA-N 261.281 1.575 0 50 CDAA COc1cc(C(=O)N[C@@](C)(CO)C2CCCCC2)on1 157827489 ILZJXQVXKTVFBL-AWEZNQCLSA-N 282.340 1.744 0 50 CDAA CC1(C)Cc2cccc(CN3CCC[C@](O)(CO)C3)c2O1 72153481 NOHVGJDNQJWVQT-QGZVFWFLSA-N 291.391 1.719 0 50 CDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 215231809 XZORZWRSMRGROD-NSHDSACASA-N 284.319 1.540 0 50 CDAA CCc1cnc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)s1 263188736 IFRZQKPKJLJAHH-ZJUUUORDSA-N 296.392 1.865 0 50 CDAA COc1cc(F)c(C(=O)N2CCCC[C@H]2CN)cc1OC 237296803 NIGYCWPOPJIUFP-JTQLQIEISA-N 296.342 1.796 0 50 CDAA COC[C@H]1CCCCN1C(=O)NCc1snnc1C 334085402 LRVRKKVNEUVDHZ-SNVBAGLBSA-N 284.385 1.557 0 50 CDAA CCN1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](C)CSC 241316716 LUHUULSRFSAWEP-XQQFMLRXSA-N 286.441 1.307 0 50 CDAA Cc1cc(C(=O)N2CC[C@@](CO)(C(C)C)C2)n[nH]1 334291732 DTEGSMNMYFBGKK-CYBMUJFWSA-N 251.330 1.199 0 50 CDAA Cc1c(C(=O)N2CCC[C@@H]2C(=O)O)cnn1-c1ccccc1 237749364 MISFASPKTNJONE-CQSZACIVSA-N 299.330 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282.428 1.776 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1coc(-c2ccccn2)n1 1550193828 NZWBIUYNDZQUFL-CZUORRHYSA-N 298.346 1.751 0 50 CDAA O=C(CCN1CC[C@@](O)(CO)C1)Nc1cccc(Cl)c1 244794844 QUZBDJNMHZTXMN-AWEZNQCLSA-N 298.770 1.098 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C2CCC2)C1 958528751 UGABYRSCXBBBBQ-FZMZJTMJSA-N 270.373 1.486 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1nnc2ccccn12 408474377 TUPSDNAGUXBBCW-UWVGGRQHSA-N 260.297 1.483 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 408474520 BKTDUYXMDNWRST-YPMHNXCESA-N 293.367 1.514 0 50 CDAA Cn1cc(C[C@@H]2CCN(Cc3ccc(CO)cc3)C2)cn1 305828501 NIEJJBCSAMEKJK-INIZCTEOSA-N 285.391 1.977 0 50 CDAA Cc1ccccc1-c1cc(NC(=O)[C@H]2CCC(=O)N2)[nH]n1 271714726 JQJVPEAQTJALJO-LLVKDONJSA-N 284.319 1.602 0 50 CDAA Cn1cncc1/C=C/C(=O)N[C@H]1CCOC(C)(C)C1 408521972 BABSYVONIRKUHJ-ZWNMCFTASA-N 263.341 1.507 0 50 CDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(c1nccc(C)n1)C2 1565525809 AKNYMUKRUDNKBS-OLZOCXBDSA-N 274.368 1.622 0 50 CDAA C[C@@H](NCc1nncn1-c1ccccc1)[C@@H]1CCCO1 273186151 PCOKWTZMPIWHCM-OCCSQVGLSA-N 272.352 1.924 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N2C[C@H]3CCC[C@@]3(N)C2)c1 1579822413 DVIJCGXYZQHIJZ-CZUORRHYSA-N 299.378 1.080 0 50 CDAA CC(C)[C@@H](NC(=O)c1cncc(C(=O)O)c1)c1ncon1 630184305 KDZDMRVXZDKLJH-SNVBAGLBSA-N 290.279 1.290 0 50 CDAA CN1CCN(C(=O)[C@@H]2CC=CCC2)C[C@H]1c1nccn1C 276709913 PPYSCJJAKMOPRV-KGLIPLIRSA-N 288.395 1.592 0 50 CDAA C[C@H](N[C@H]1CCN(C)C1=O)c1cccc(-n2ccnc2)c1 170088221 KOKFEYICBHYIDS-WFASDCNBSA-N 284.363 1.754 0 50 CDAA Cc1nnc(N[C@@H](CC(N)=O)C2CCCCC2)nc1C 170599641 MBYDRACXTNMCKE-LBPRGKRZSA-N 277.372 1.725 0 50 CDAA O=C(/C=C/c1cncc(O)c1)N1CCC[C@@]12CCOC2=O 186449105 KUXWUDYLZAMUDU-FAAWYNLUSA-N 288.303 1.109 0 50 CDAA C[C@@H](O)CN1CCN(Cc2ccncc2Cl)[C@H](C)C1 189553597 HEIOMEBPWIOLOD-VXGBXAGGSA-N 283.803 1.622 0 50 CDAA CCC(C)(C)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 585091356 VXERNYIPLUJQDZ-WDEREUQCSA-N 268.357 1.040 0 50 CDAA O=C(NOc1ccc(Cl)c(Cl)c1)[C@@H]1COCCO1 585126153 QJYRTVSQEHOXAI-JTQLQIEISA-N 292.118 1.819 0 50 CDAA Cc1[nH]nc(Cl)c1C(=O)N[C@H](CCO)C(C)C 585129263 DBOVYMSROLXWCL-MRVPVSSYSA-N 259.737 1.508 0 50 CDAA CN1C[C@H]2CN(c3ncnc4ccc(F)cc34)C[C@H]2C1 192806892 NVRJLQBXGYGVNF-PHIMTYICSA-N 272.327 1.767 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)n(C)n1 653332465 CRMRHEHSHVJYDJ-QWHCGFSZSA-N 299.330 1.772 0 50 CDAA Cc1ccccc1-n1nccc1CNC[C@H]1CCCNC1=O 657284969 XRXLARASGODULJ-CQSZACIVSA-N 298.390 1.797 0 50 CDAA O[C@@H]1C[C@H](NCc2cnc(C3CC3)nc2)[C@H]1n1cccn1 657517533 ZOLRPCRPLGXXLT-BFHYXJOUSA-N 285.351 1.015 0 50 CDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)c1cc2occc2[nH]1 775913809 KHXHXXAXENHOMT-UHFFFAOYSA-N 299.212 1.828 0 50 CDAA COCC[C@@H](CO)NC(=O)C1(Cc2ccc(O)cc2)CC1 1615591488 XRCCPIOTKWPSCB-ZDUSSCGKSA-N 293.363 1.229 0 50 CDAA COc1ccc(OCCNC(=O)NC2CSC2)cc1 1616037501 AATMAROMQSBULL-UHFFFAOYSA-N 282.365 1.489 0 50 CDAA Cc1ccc2ncc(CNCc3nc(N(C)C)n[nH]3)n2c1 1621112409 PVGJQYOPWZELBD-UHFFFAOYSA-N 285.355 1.117 0 50 CDAA COc1cccc([C@H](C)N(C)C(=O)c2cc(N)n[nH]2)c1 1506425723 GALYCJNETQKGHN-VIFPVBQESA-N 274.324 1.834 0 50 CDAA O=C(Nc1ccc(F)cc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 104318140 KSWHPHZJYZLCEB-KKOKHZNYSA-N 279.267 1.642 0 50 CDAA O=C(CSC1=NCCN1)Nc1cccc(Cl)c1 1994569 MICJGHOYLMGGDT-UHFFFAOYSA-N 269.757 1.971 0 50 CDAA COCCN(C(=O)[C@H](N)CC(F)(F)F)C1CCCC1 1857530813 BCQBLGVZWYGFCY-SNVBAGLBSA-N 282.306 1.684 0 50 CDAA COc1cccc(CCNC(=O)[C@@H](C)CSC)n1 440656147 XXZPNVXOIHJFBK-JTQLQIEISA-N 268.382 1.748 0 50 CDAA O=C(O)CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 238190785 FFQNRVPJDQKQFM-RQJHMYQMSA-N 271.675 1.783 0 50 CDAA Cc1cc(C)nc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)n1 5009710 RSKBOXPKGZRSEZ-UHFFFAOYSA-N 297.270 1.592 0 50 CDAA Nc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)CC(=O)N2 16995854 LFOBGAWTHVZINQ-QMMMGPOBSA-N 290.710 1.480 0 50 CDAA CC(=O)N[C@H](NC[C@@H]1CCCO1)C(Cl)(Cl)Cl 19315866 MNIUCNWXARYSQW-YUMQZZPRSA-N 289.590 1.587 0 50 CDAA CC(C)c1nccn1[C@@H](C)C(=O)N1CC2(CN(C)C2)C1 1857679335 UQUDTCZVJXJAOP-LBPRGKRZSA-N 276.384 1.342 0 50 CDAA CNc1cc(N2CCC[C@H]2CNc2cc(C)ncn2)ncn1 112555971 XHKOOWPTORZEDH-LBPRGKRZSA-N 299.382 1.698 0 50 CDAA CC[C@@H](C)CC(=O)N1CCN([C@@H](C)C(=O)NC(C)C)CC1 225629852 CCJDANGJZKDFFN-KGLIPLIRSA-N 297.443 1.480 0 50 CDAA OCCn1nccc1C1CCN(c2ccc(F)cn2)CC1 225818973 JHQNXQBZPGSMJH-UHFFFAOYSA-N 290.342 1.794 0 50 CDAA CCOC(=O)c1cnc2ccc(OC)cc2c1NCCO 5958582 GGFUURYMMCWQOI-UHFFFAOYSA-N 290.319 1.824 0 50 CDAA biogenic,in-vitro C[C@@H]1CC[C@H](C(=O)O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 238857068 XZTIGXRGMUHWCL-LPTSXCQYSA-N 287.315 1.923 0 50 CDAA in-vitro O=C(O)COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)O3)cc1 659758721 XKUNUIGERLKTNC-BETUJISGSA-N 291.303 1.153 0 50 CDAA Cn1nccc1COCC(=O)N1CCC[C@@H]1C(C)(C)C 253415376 WZQCDYYUSXPUBK-CYBMUJFWSA-N 279.384 1.974 0 50 CDAA O=C([C@@H]1CCc2ccccc21)N1CC(N2CCOCC2)C1 911650628 OPPVHAOYXSYVKS-MRXNPFEDSA-N 286.375 1.259 0 50 CDAA CCc1cnc(CN2CCC([C@@H](F)C(N)=O)CC2)s1 823540978 NGQAZAWJWUWTOS-GFCCVEGCSA-N 285.388 1.741 0 50 CDAA CCn1c(O)nnc1C1CCN(Cc2cnc(C)o2)CC1 930058728 OWWXFOAVKPGEPP-UHFFFAOYSA-N 291.355 1.680 0 50 CDAA O=C(NC[C@@H]1CCCCN1C1CC1)Nc1ncccn1 931816171 WDHXMJKOXNKNKK-LBPRGKRZSA-N 275.356 1.615 0 50 CDAA CC(C)[C@@H](NC(=O)c1cnc2[nH]ncc2c1)c1ncon1 952994419 OZSDXLODJKWBLI-SNVBAGLBSA-N 286.295 1.468 0 50 CDAA CCOc1ccc(CN2[C@H](C(=O)O)C[C@@H]3OCC[C@@H]32)cc1 1875283160 IBXFRKSMKRBOCO-KKUMJFAQSA-N 291.347 1.902 0 50 CDAA C=CC(=O)N(C)CC(=O)NCc1conc1C(C)C 1875367602 UIPYYAYORHYSAY-UHFFFAOYSA-N 265.313 1.059 0 50 CDAA CC1(N)CN(C(=O)/C=C/c2c(F)cccc2F)C1 888096366 DGIHDAWTMZJTGM-AATRIKPKSA-N 252.264 1.538 0 50 CDAA Cc1ccc(NC(=O)C(=O)N2CCS[C@@H](C)C2)nc1 888097423 JWKWOMNIYXZZLW-JTQLQIEISA-N 279.365 1.292 0 50 CDAA CN(C)[C@H]1CCN(C(=O)c2nc3ccccc3o2)C1 1775990486 GLCYEVOBBNEVAD-JTQLQIEISA-N 259.309 1.604 0 50 CDAA Cc1ccc(OC[C@@H](O)CNC2CCOCC2)c(C)c1 32529878 QQILRJJNEYPFJZ-HNNXBMFYSA-N 279.380 1.812 0 50 CDAA OCC1(O)CCN(Cc2cccc3cccnc23)CC1 67983315 CUDVNTVAIDDUEG-UHFFFAOYSA-N 272.348 1.554 0 50 CDAA CC(C)Cc1cc(-c2nnc3n2CCOCC3)no1 2100556674 OPFSLGHNWZYTLT-UHFFFAOYSA-N 262.313 1.704 0 50 CDAA Cc1cc(O)c(NC(=O)C[C@H](O)CN)cc1Cl 2325778747 MZRNIPLCMHMKSS-ZETCQYMHSA-N 258.705 1.002 0 50 CDAA Cc1cccc2nc(CNC(=O)[C@H]3C[C@@](F)(CN)C3)cn12 2325778820 QXVJJONMWWFNNF-FUKZOUPISA-N 290.342 1.336 0 50 CDAA Cn1ncnc1C1(O)CCN(c2ccnc(Cl)c2)CC1 2325790613 YETUMQHOLJZYLF-UHFFFAOYSA-N 293.758 1.352 0 50 CDAA c1ncn(-c2ccc([C@H]3NCCc4[nH]cnc43)cc2)n1 65394163 IKOFMRMRUHBZOX-CYBMUJFWSA-N 266.308 1.226 0 50 CDAA CCC[C@@](C)(CO)NC(=O)c1cnc2cc[nH]c2c1 901357975 QZCRSRYEWCLVLZ-AWEZNQCLSA-N 261.325 1.844 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccccc2)S1 51018 TYZWEONFZGQVSK-LLVKDONJSA-N 263.322 1.688 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1[C@H]1CC=CCC1 83155 IBZQAYTUWKZURD-ONGXEEELSA-N 250.298 1.471 0 50 CDAA Nc1nc(-c2cccnc2)nc(-c2cccnc2)n1 178607 VPOCSDQXCBFIPB-UHFFFAOYSA-N 250.265 1.578 0 50 CDAA Cc1ccc(C)c(N(CC(=O)N(C)C)S(C)(=O)=O)c1 379746 FEXKBIXWDZYVJZ-UHFFFAOYSA-N 284.381 1.158 0 50 CDAA Cn1c(=O)c2c(ncn2CCCc2ccccc2)n(C)c1=O 380557 COZBOOBOYNKJBR-UHFFFAOYSA-N 298.346 1.067 0 50 CDAA Nn1cnn2c(SCc3ccc(Cl)cc3)nnc12 445945 WLMNMUWJNBUWLE-UHFFFAOYSA-N 280.744 1.585 0 50 CDAA O=C1C=C(N2CCOCC2)C(=O)N1c1ccc(Cl)cc1 850797 WUBWLUZYIJQGFU-UHFFFAOYSA-N 292.722 1.429 0 50 CDAA O=C1NC(=O)[C@H](Nc2cccc(C(=O)O)c2)S1 1137135 PYVHPOUTSVJAFG-MRVPVSSYSA-N 252.251 1.106 0 50 CDAA CCCCNS(=O)(=O)c1ccc(N2CCOCC2)cc1 1792192 GKYZGPZTYAYYTL-UHFFFAOYSA-N 298.408 1.602 0 50 CDAA Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N=C(N)S1 2221831 VBDZPDRPTSJWJR-VIFPVBQESA-N 297.767 1.934 0 50 CDAA O=C(NCCOc1ccccc1)C(=O)Nc1ccccc1 2810411 BHMVRTPXEDJAFT-UHFFFAOYSA-N 284.315 1.820 0 50 CDAA COCCCNC(=O)COc1ccc(C)cc1C 2816141 MNTGEVQTOYURGK-UHFFFAOYSA-N 251.326 1.835 0 50 CDAA CC(=O)N[C@H]1C(=O)N(C)c2ccc(Br)cc21 100261669 RYRSYLBEXKGAGV-SNVBAGLBSA-N 283.125 1.603 0 50 CDAA CC(C)c1noc(CSc2n[nH]c(CO)n2)n1 225509779 ATQHSMMFLFNLJF-UHFFFAOYSA-N 255.303 1.096 0 50 CDAA C[C@@H]1CC(=O)N(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 246159517 IMXNYYSOAGOAKL-NAWOPXAZSA-N 292.379 1.322 0 50 CDAA Cc1cc(C)n(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 100112394 LXUKKUOMMLYWMT-RYUDHWBXSA-N 289.335 1.315 0 50 CDAA CC(C)[C@@H](C)NC(=O)CN1[C@@H](C)C[C@H](O)C[C@H]1C 248837026 NZFAHASOIILPDM-YVECIDJPSA-N 256.390 1.381 0 50 CDAA CC[C@H](CO)N(Cc1ccccn1)C(=O)CSC 65492909 WWVWLGZWGBHLIZ-GFCCVEGCSA-N 268.382 1.544 0 50 CDAA CC(C)NC(=O)C[C@H](C)N[C@@H]1CN(C(C)C)C[C@H]1C 252477639 RVLZQKRZMPYGSR-HZSPNIEDSA-N 269.433 1.608 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NC[C@H](C)O)c(C)c1 32110364 QSXKJEADCDAZOX-NSHDSACASA-N 257.355 1.271 0 50 CDAA Cc1ocnc1C(=O)NCCOCc1ccccc1 215627360 SUZKQVDKHJGCHB-UHFFFAOYSA-N 260.293 1.930 0 50 CDAA c1cncc(CN2CCC[C@H](Nc3ncncn3)C2)c1 219076272 HKVFWWGBCXRYOW-ZDUSSCGKSA-N 270.340 1.343 0 50 CDAA O=c1[nH]c(COc2cccc(F)c2)nc2c1CCNC2 77469912 DRCFOKHGZNKMEO-UHFFFAOYSA-N 275.283 1.134 0 50 CDAA CC[C@@H](O)Cn1ncc(N(C)Cc2ccccc2)cc1=O 72157425 CRYGPMYEELAMJZ-OAHLLOKOSA-N 287.363 1.651 0 50 CDAA Cc1ccc(C(=O)N(C)C[C@@H]2CCc3nccn3C2)n1C 328624129 JSGMJKCXZIVYNH-ZDUSSCGKSA-N 286.379 1.865 0 50 CDAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1CNCCO1 71419298 XTIFASPNOJUFJG-CQSZACIVSA-N 291.326 1.254 0 50 CDAA Cc1noc(Cl)c1CC(=O)N1CC[C@@]2(CCOC2)C1 154688075 QWDHWBDZMSZITN-CYBMUJFWSA-N 284.743 1.818 0 50 CDAA CCCc1cc(N[C@H](C)Cn2cncn2)n2nccc2n1 72423342 GLTSPVMMUIBXFS-LLVKDONJSA-N 285.355 1.774 0 50 CDAA COCc1nc(C)cc(N2CC[C@@](O)(C3CC3)C2)n1 365979221 XNBJAUJHNNFBNC-AWEZNQCLSA-N 263.341 1.283 0 50 CDAA Cc1nc(CN2CCC[C@](O)(CN(C)C)CC2)co1 72168759 SLANNVLZTMOBTQ-CQSZACIVSA-N 267.373 1.262 0 50 CDAA O=C(COc1ncccn1)Nc1ccc(F)cc1F 72437462 GQIVWZMTWLSSRV-UHFFFAOYSA-N 265.219 1.772 0 50 CDAA CN(C)c1ccc(CCNC(=O)[C@H]2CCCCO2)cc1 121756685 CVQZQWVFAPGTFD-OAHLLOKOSA-N 276.380 1.980 0 50 CDAA C[C@H](c1ccccc1)N1CCN(C(=O)Cn2ccnn2)CC1 332314121 UGTGFHJIOPSUCI-CQSZACIVSA-N 299.378 1.184 0 50 CDAA Cc1nn(C)cc1NC(=O)N[C@@H]1COc2ccccc2C1 189713734 LUODBJXMHCSUHT-LBPRGKRZSA-N 286.335 1.854 0 50 CDAA CC(C)=C(F)C(=O)N1CCC[C@H](Cn2ccnn2)C1 127102791 PYZOVURQICTQOC-NSHDSACASA-N 266.320 1.780 0 50 CDAA CC(C)c1cc(C(=O)N(C[C@H](C)C(=O)O)C2CC2)n(C)n1 236882547 NODFITOXUFUNSJ-JTQLQIEISA-N 293.367 1.869 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)NC2C[C@H]3C[C@@H]3C2)cn1 333400225 NRHPDPIEOBEYQI-GHMZBOCLSA-N 288.351 1.984 0 50 CDAA CO[C@@]1(C)C[C@H](NC(=O)C2CCNCC2)C1(C)C 237160093 RMVUTRVQASWMDJ-FZMZJTMJSA-N 254.374 1.306 0 50 CDAA O[C@H]1COCCN(Cc2cccc(-n3cccn3)c2)C1 77407243 WYCDOIKTTPJVQX-OAHLLOKOSA-N 273.336 1.065 0 50 CDAA CCCC(=O)N1CCC(NC(=O)N(CC)CC)CC1 521402346 YKTFDRGJZSIGNO-UHFFFAOYSA-N 269.389 1.829 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC(Cc2cccnc2)CC1 378410202 PCZLSFDXJWWRHD-UHFFFAOYSA-N 284.363 1.829 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)C1[C@H]2CCCC[C@H]12 136526297 SJXXQTPPKPMSSW-GARJFASQSA-N 251.326 1.888 0 50 CDAA CSC[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 239359504 AEHVWHCDSNMYCY-USZNOCQGSA-N 256.415 1.775 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1cccn1C(C)C 284696311 XBQKUQGGVXOMCP-STQMWFEESA-N 280.368 1.945 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2ccc3ccccc3c2)C1 284812755 LNQTVOZISJBWMF-DLBZAZTESA-N 299.370 1.991 0 50 CDAA COC[C@H]1CN(C(=O)COc2cccnc2)CC(C)(C)O1 285666798 YUWAFJRVZHYVGG-CYBMUJFWSA-N 294.351 1.113 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)N2CCc3cnccc32)C1 175317719 AOOHUONVASHBGX-NSHDSACASA-N 281.381 1.421 0 50 CDAA CCn1ccnc1CN(C)C(=O)c1cccc(C(=O)O)c1 426734587 XRUBLMMAGBMADF-UHFFFAOYSA-N 287.319 1.873 0 50 CDAA CC(=O)N(C[C@H]1CCCN1Cc1nnc(C)n1C)C1CC1 328634062 MLWFEIUAVZTDPE-CQSZACIVSA-N 291.399 1.099 0 50 CDAA O=C(O)CCCC(=O)N1CC[C@H](Oc2ccccc2)C1 426470708 PVJIWKGQTQCBFV-ZDUSSCGKSA-N 277.320 1.921 0 50 CDAA Cc1cccc(OCCN2C[C@@H](C(=O)O)O[C@H](C)C2)c1 530172743 PADDETREODKVCH-OCCSQVGLSA-N 279.336 1.548 0 50 CDAA CNc1nc(N2C[C@H](C3CC3)[C@@H](N(C)C)C2)ncc1F 92062234 ZUVFIPLIYDUNLH-PWSUYJOCSA-N 279.363 1.434 0 50 CDAA Cc1ncc(C(=O)N(CCC(=O)O)C2CCOCC2)s1 178154736 KRDJQTNUOXDTRK-UHFFFAOYSA-N 298.364 1.547 0 50 CDAA Cc1ocnc1C(=O)NCc1cn2c(n1)SCC2 97742906 JXZPNDCGOOUPQH-UHFFFAOYSA-N 264.310 1.215 0 50 CDAA c1ccc(NCCn2cc([C@H]3CCCNC3)nn2)cc1 95368120 XFGXRXICZHPGEJ-ZDUSSCGKSA-N 271.368 1.857 0 50 CDAA O=C(N[C@H](CO)C1CCCC1)c1ccc2oc(=O)[nH]c2c1 291258189 NCORITQRLCTGIR-GFCCVEGCSA-N 290.319 1.402 0 50 CDAA CCN1CCC(CC(=O)N[C@@H](C)Cc2cnccn2)CC1 95355884 NRTCGWNWUMRVLZ-ZDUSSCGKSA-N 290.411 1.646 0 50 CDAA c1cnc(N2CCN(C3Cc4ccccc4C3)CC2)nc1 96876698 VEHURVPMXFNHTC-UHFFFAOYSA-N 280.375 1.766 0 50 CDAA CN1CCC[C@@H](CCC(=O)NCCNc2cccnc2)C1 91503647 VXEBXCWOTRYIAK-AWEZNQCLSA-N 290.411 1.732 0 50 CDAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccnn1CC)C2 95368285 RZUFSISZIYEFJO-ZIAGYGMSSA-N 290.411 1.849 0 50 CDAA COCC1(C(=O)NCCC(=O)Nc2ccccc2)CCC1 97499700 XHWMAZKXPFPTQQ-UHFFFAOYSA-N 290.363 1.948 0 50 CDAA CC(C)COc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1 299747025 BWELRUUBCSAIJX-ZIAGYGMSSA-N 292.379 1.060 0 50 CDAA Cc1nccn1CCCc1nc([C@@H]2CCOC2)no1 299752811 VOKLLTXKFASQAS-LLVKDONJSA-N 262.313 1.711 0 50 CDAA CCn1c(CN2C[C@H](C)O[C@H](C)C2)nnc1[C@H]1C[C@@H](N)C1 252569009 VTWXLVMQTKRECA-MPZDIEGVSA-N 293.415 1.112 0 50 CDAA CCN(CCC(=O)O)C(=O)[C@H]1CSc2ccccc2O1 299752386 TZDGATFUSLWBBE-LLVKDONJSA-N 295.360 1.863 0 50 CDAA CN(C)C/C=C/C(=O)NCc1ccc2cncn2c1 297265697 PLKXIDZBSCCVSW-ONEGZZNKSA-N 258.325 1.068 0 50 CDAA CN(C[C@@H]1CCN(C)C1(C)C)C(=O)CCC(=O)O 534647913 KDFUKALHAIBXDT-JTQLQIEISA-N 256.346 1.040 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)c1n[nH]nc1C 299793183 GXNFXMXGPZIYQK-SECBINFHSA-N 259.313 1.178 0 50 CDAA CSC[C@@H]1CCCN(C(=O)NCCc2cnn(C)c2)C1 291555157 BMKAQGRFYNFNBZ-CYBMUJFWSA-N 296.440 1.747 0 50 CDAA O=C(NCc1nc(C2CCCCC2)no1)[C@@H]1CCOC1 299768000 DWEOUEKBRQQYMT-LLVKDONJSA-N 279.340 1.770 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H]1CC(C(C)C)=NO1 827791997 SOWCCEXGPXACRD-AWEZNQCLSA-N 290.367 1.141 0 50 CDAA CCS(=O)(=O)NCc1nc2ccc(OC)cc2[nH]1 824757921 YOYOWZILRANCQF-UHFFFAOYSA-N 269.326 1.011 0 50 CDAA O=C(CCCn1cncn1)NCCCc1ccccn1 828025715 NXMXJDDNKGGJHQ-UHFFFAOYSA-N 273.340 1.202 0 50 CDAA CC(C)C1=NO[C@@H](C(=O)N(C)Cc2cc[nH]n2)C1 820723158 NKMBPRICNJWUEU-LLVKDONJSA-N 250.302 1.169 0 50 CDAA O=C1CN([C@@H]2CCSC2)CCN1Cc1ccccc1 584888392 IUCYNGQHEYGBBC-CQSZACIVSA-N 276.405 1.836 0 50 CDAA Cc1[nH]nc2c1CN(Cc1cnc(N(C)C)s1)CC2 670459179 JAXRVJFKLKXHOY-UHFFFAOYSA-N 277.397 1.799 0 50 CDAA CC(=O)c1ncc(C(=O)NC[C@H]2CCCN2C(C)C)s1 670444945 BDUMGKQJEBMXMQ-LLVKDONJSA-N 295.408 1.948 0 50 CDAA CCCn1cnnc1CN(C)Cc1cnc(C)cn1 670467777 SDKBDZZQNVAYFR-UHFFFAOYSA-N 260.345 1.419 0 50 CDAA O=c1c2ccc(Cl)cc2ncn1C[C@@H]1CCNC[C@H]1O 670466683 HWBLTCXMXOGXNP-TVQRCGJNSA-N 293.754 1.020 0 50 CDAA c1nc2ccc(-c3noc(C[C@H]4CNCCO4)n3)cc2[nH]1 843188458 YNDZVDGVQNVGAX-JTQLQIEISA-N 285.307 1.144 0 50 CDAA NC[C@@H]1CC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)NC1 757209913 GPSDDLHWXJHUCF-ZDCRXTMVSA-N 265.323 1.244 0 50 CDAA COc1cnccc1-c1noc([C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)n1 1553319146 QFDIUKAOYQPAPP-IQIPOGNMSA-N 286.335 1.981 0 50 CDAA C=CC(=O)Nc1ccc(C(=O)NC[C@@]2(C)CCOC2)cc1 1543557967 STVSHQNZCOTYSO-MRXNPFEDSA-N 288.347 1.968 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C[C@H](c2ccccc2)O1 268927407 WOHDFJFUBALOTB-FMKGYKFTSA-N 289.331 1.696 0 50 CDAA C[S@](=O)Cc1noc(Cc2cccc(F)c2)n1 274067171 YEJYSJSNKYMRJK-KRWDZBQOSA-N 254.286 1.678 0 50 CDAA COc1ccc(CN2CCCC[C@@H]2c2n[nH]c(C)n2)nn1 408473361 YAQMIZWJNYVFDN-GFCCVEGCSA-N 288.355 1.639 0 50 CDAA O=C(NCCc1cccnc1)c1c[nH]nc1[C@H]1CCOC1 275337366 RZFAYYGLEKWLDV-LBPRGKRZSA-N 286.335 1.281 0 50 CDAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C(C)(C)F)C1 275741071 VKXWHZHYDOTGML-LLVKDONJSA-N 295.358 1.875 0 50 CDAA NC(=O)[C@@H]1CN(C(=O)CC2CCCCCC2)CCO1 170653964 FPITUVRGRJMWLR-LBPRGKRZSA-N 268.357 1.060 0 50 CDAA O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)[C@@H]1COCCO1 630327767 UZCYDELAFPBBPU-XQQFMLRXSA-N 291.303 1.229 0 50 CDAA Cc1cc(=O)n(C)cc1NC(=O)[C@@H]1CCCO[C@@H]1C 188688803 GKUYRVJZVDMEII-GHMZBOCLSA-N 264.325 1.447 0 50 CDAA CSc1ccc(CNC(=O)[C@H]2CCC(=O)N2C)cc1 191045873 WNMSKLGSJBHQES-GFCCVEGCSA-N 278.377 1.646 0 50 CDAA CCCc1occc1C(=O)N1CCC[C@@]1(COC)C(N)=O 643938489 QLBQACMZSFVBSW-OAHLLOKOSA-N 294.351 1.339 0 50 CDAA COCCC(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653334102 XSELPWNZSXAYRC-NEPJUHHUSA-N 263.293 1.452 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCCN1Cc1cn(C)cn1 660629534 JPCVHIUXLKDWJC-CYBMUJFWSA-N 264.373 1.157 0 50 CDAA CC(=O)NCC1CCN(c2cccc([C@H](C)O)n2)CC1 96141177 MSHKKVNLFZBXSV-NSHDSACASA-N 277.368 1.487 0 50 CDAA O=C(NC[C@H]1CCC2(CC(C(=O)O)C2)O1)c1ccccn1 1615819206 QRWIBIWRKQBLCR-LOIXOFCESA-N 290.319 1.224 0 50 CDAA Cc1cc(C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2O)on1 1616078891 QBUFJOATSKIUAP-ZFWWWQNUSA-N 292.379 1.925 0 50 CDAA CC(C)CN1CCCN(CCc2nccn2C)CC1 1529186594 IPCVSXUEAWHNCQ-UHFFFAOYSA-N 264.417 1.626 0 50 CDAA O=S(=O)(NC[C@@H]1CCCO1)c1ccc(Cl)cc1 246122 RWOHAUOVGNDHMW-JTQLQIEISA-N 275.757 1.797 0 50 CDAA CCC[C@@H](CNc1cc(OC(C)C)nc(N)n1)N(C)C 1529160169 YRCWOCKYMIPPFA-NSHDSACASA-N 281.404 1.988 0 50 CDAA Cc1ccc(C(=O)O)c(NCCN2CCCC[C@H]2CO)n1 1529179629 ZWMUIKGJSDGJFU-LBPRGKRZSA-N 293.367 1.347 0 50 CDAA CCCCNC(=O)CN1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 110649043 CDHBHYQVUMQZFV-WUHRBBMRSA-N 252.358 1.012 0 50 CDAA CCn1nccc1CN1CCC[C@@H](CC(N)=O)CC1 671470457 QKWUAHFMQKGTIF-GFCCVEGCSA-N 264.373 1.381 0 50 CDAA COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1F 6742860 NXXDPZISRDBDCX-SECBINFHSA-N 289.328 1.292 0 50 CDAA CCNC(=O)c1sc(N2CCOCC2)nc1C 1857711253 PWGACPYLWWWKED-UHFFFAOYSA-N 255.343 1.038 0 50 CDAA COc1ccc(OC)c([C@@H]2NCCc3nc[nH]c32)c1 5611084 OLJLGOINCQIVAB-ZDUSSCGKSA-N 259.309 1.662 0 50 CDAA biogenic Cc1cccc(CNC[C@@]2(O)CCCN(C)C2=O)c1 12090642 ICNZUCNJFXRAFN-HNNXBMFYSA-N 262.353 1.068 0 50 CDAA O=C(NCCN1CCOCC1)c1ccc(F)c(F)c1F 16651763 MFEZBYWFMWLVQF-UHFFFAOYSA-N 288.269 1.166 0 50 CDAA O=C1NC(=O)[C@H](CCc2nc(C3CCCCC3)no2)N1 19798941 LLOXISATGFWPDZ-VIFPVBQESA-N 278.312 1.258 0 50 CDAA Cc1ccc(C(=O)NCCN2CCOCC2)c(Cl)c1 19868008 VXLOCUJBFKOMFC-UHFFFAOYSA-N 282.771 1.710 0 50 CDAA O=C(NCc1cccc(F)c1Cl)c1cnc(O)[nH]1 1857693654 GJRHTFVXAANQCL-UHFFFAOYSA-N 269.663 1.838 0 50 CDAA Cc1cc(C)c(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc1C 1857722412 HCOUAQKZKQCKGO-UKRRQHHQSA-N 277.364 1.427 0 50 CDAA CN1CC[C@@H](n2ccnc2-c2ccccc2OCCO)C1 1857722659 MJACTZHEVQCORK-CYBMUJFWSA-N 287.363 1.798 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NC2Cc3ccccc3C2)CC[C@@H]1N 1857731955 VPGSNANETDAVFB-BPUTZDHNSA-N 288.391 1.412 0 50 CDAA CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2ccncc2)C(=O)O)C1 570106764 QDAWUBOSPBXIJZ-YNEHKIRRSA-N 292.335 1.470 0 50 CDAA Cc1cccc2c(N3CCN(CCO)CC3)ncnc12 301686439 USPLUEPKOCLHIC-UHFFFAOYSA-N 272.352 1.053 0 50 CDAA Cn1cc(-c2c[nH]cc2C(=O)N[C@@H]2CCCOCC2)cn1 428023786 XSCFQDHSPXTQFT-GFCCVEGCSA-N 288.351 1.714 0 50 CDAA NC(=O)C[C@@]1(O)CCCN(Cc2cccc3cc[nH]c23)C1 643746906 XTSVQDFZPPTMLL-INIZCTEOSA-N 287.363 1.370 0 50 CDAA CCCC(=O)N1CCN(c2nc(C)cc(NCC)n2)CC1 9620247 GFPSDJZRCYPASA-UHFFFAOYSA-N 291.399 1.666 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 237948533 ULZKRWFMWYFFLC-SNVBAGLBSA-N 283.274 1.831 0 50 CDAA COCc1cncc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 656492206 YZODXVNCDRQFAW-LLVKDONJSA-N 278.308 1.165 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccc(F)cc1 245225701 FZOLVYIGAPVLEQ-CDGCEXEKSA-N 289.306 1.965 0 50 CDAA CO[C@@](C)(C(=O)O)C(=O)Nc1n[nH]c2c(Cl)cccc12 663040623 DKBFQIYSNUHJLP-GFCCVEGCSA-N 297.698 1.645 0 50 CDAA O=C1CC(C(=O)NC2CCN(c3ccccn3)CC2)C1 136430919 LIRUXOZAZQJLFW-UHFFFAOYSA-N 273.336 1.146 0 50 CDAA CN(C[C@@H](O)C1CC1)C(=O)Nc1cnn(C)c1C(F)F 677629689 LTFOWARKDJFBMJ-SECBINFHSA-N 288.298 1.592 0 50 CDAA CCc1cc2c(N3CCNCC3)nc(C)nc2s1 20319581 RBAOJGPSFWFLAX-UHFFFAOYSA-N 262.382 1.972 0 50 CDAA Cc1cccc(C(=O)N2CC[C@H](C(=O)O)C2)c1F 164437749 JUOGPBMPFIVKMS-VIFPVBQESA-N 251.257 1.681 0 50 CDAA COc1ccnc(N2CCN([C@H](C)c3ccccn3)CC2)n1 267071121 OOZAJUXCOXRSAO-CYBMUJFWSA-N 299.378 1.763 0 50 CDAA C=CC(=O)Nc1ccc(CCNC(=O)N(C)C)cc1 1120460056 ABJJLDAGKKILTE-UHFFFAOYSA-N 261.325 1.625 0 50 CDAA Cc1cc(=NCCc2cnn[nH]2)[nH]c(C2CCC2)n1 1875288255 UIWIKHRAJXRVDC-UHFFFAOYSA-N 258.329 1.247 0 50 CDAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)c1coc(C2CCCC2)n1 1875292642 OMOLXDFDLXBOGX-WMFXKJRFSA-N 290.319 1.925 0 50 CDAA Cn1cnc2ccc(C(=O)N3CCCC34CC4)nc21 1875297042 AEOTYYAKSFCVMY-UHFFFAOYSA-N 256.309 1.737 0 50 CDAA C[C@@H](C(=O)/N=c1/ccnc2n(C)[nH]cc1-2)c1cccnc1 1875252768 OCJWPBPBRDHLDS-ICHPLGEASA-N 281.319 1.479 0 50 CDAA O=C(O)[C@@H]1CC=C[C@@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)C1 1875273552 JRKHLULELVHOJK-NJMOYASZSA-N 279.336 1.337 0 50 CDAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1cccn2nccc12 1875317879 LRRBMUDOSCYYHP-GXFFZTMASA-N 272.352 1.438 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCCOC[C@H]2C)CC1 1875369532 UNSOKWIPGXCSMF-GFCCVEGCSA-N 280.368 1.048 0 50 CDAA O=C(N[C@H](Cc1ccccn1)C(=O)O)C1CCCCC1 1875337733 DKRQYCXIDUPUGS-CYBMUJFWSA-N 276.336 1.774 0 50 CDAA NCc1cccc(CCC(=O)N2CCc3n[nH]cc3C2)c1 1875304729 RZTPUIILXPGCDT-UHFFFAOYSA-N 284.363 1.386 0 50 CDAA CN(C[C@@H]1CCCOC1)C(=O)c1cncc2nc[nH]c12 896260835 VUKPRFDBWXMUAF-JTQLQIEISA-N 274.324 1.457 0 50 CDAA CCCC[C@H](CN)NC(=O)c1[nH]nc2ccccc12 130420148 ZCBMCWIKPPAAPS-SNVBAGLBSA-N 260.341 1.810 0 50 CDAA CC(C)N1CCO[C@H](CN2CCN(CC3CC3)CC2)C1 156170739 SOKBCLLBRVHMEP-MRXNPFEDSA-N 281.444 1.123 0 50 CDAA CC(C)n1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)n1 263363668 ZDIFKSJRAQHPHM-DTORHVGOSA-N 251.286 1.057 0 50 CDAA COC1(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)CCC1 263557595 ZPBLHTKHQGDJIE-UHFFFAOYSA-N 281.312 1.210 0 50 CDAA CCc1ncnc(N[C@H]2CCC(=O)N[C@@H]2C)c1F 281624067 KOWXNTRNIGIVDV-APPZFPTMSA-N 252.293 1.257 0 50 CDAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@@](O)(CO)C1 72150945 ZYFZAAQOFJJLBJ-HNNXBMFYSA-N 274.320 1.127 0 50 CDAA CCON1CCC(NCc2scnc2C)CC1 323065070 NEQLYJPCKMFJLP-UHFFFAOYSA-N 255.387 1.957 0 50 CDAA Cc1ncoc1C(=O)NCC1(CO)CC2(CCC2)C1 333276608 DJBXXDDSNMHYIJ-UHFFFAOYSA-N 264.325 1.656 0 50 CDAA CCN(C(=O)c1c[nH]c(C)cc1=O)C1CCOCC1 716453962 VDGYBLISVDHDNA-UHFFFAOYSA-N 264.325 1.324 0 50 CDAA c1ccc2c(NC[C@H]3C[C@@H]4COC[C@@H]4O3)ncnc2c1 724566085 AFATYFTYHMEDJF-GYSYKLTISA-N 271.320 1.846 0 50 CDAA CCSCC(=O)NC[C@H](C(=O)O)c1ccc(F)cc1 2325777829 ISLHFRICRZEUPW-NSHDSACASA-N 285.340 1.863 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1n[nH]cc1-c1ccncc1 2325798047 KAXXTUWKAQOOSE-NSHDSACASA-N 272.308 1.381 0 50 CDAA Cc1ccn2c(C(=O)N[C@H]3C[C@H](CN)C3(C)C)cnc2c1 2325800030 HVIKFQHBWOLTER-YPMHNXCESA-N 286.379 1.746 0 50 CDAA CC[C@H](C)C(=O)C(=O)N[C@H](C)C(=O)NCc1ccccc1 2325810820 HDYAQNMCCXPOPH-NWDGAFQWSA-N 290.363 1.423 0 50 CDAA CC(=O)N1C[C@H](c2ccccc2)[C@](F)(C(=O)O)C1 872324221 COWVBPYPNDATOI-YPMHNXCESA-N 251.257 1.425 0 50 CDAA COc1ccc(S(=O)(=O)NCc2ccco2)cc1OC 170822 SASNCAHPVARPOR-UHFFFAOYSA-N 297.332 1.775 0 50 CDAA CC1(C)C[C@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 181024 YCLVBOXFEBJBML-OLZOCXBDSA-N 296.348 1.599 0 50 CDAA biogenic O=C(c1ccccc1)N1[C@H](O)CC[C@]12CSCC2=O 246226 CSZSRTHSTXUTBK-TZMCWYRMSA-N 277.345 1.296 0 50 CDAA biogenic O=C(O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 260189 CHOGMPPUSGFJEB-UHFFFAOYSA-N 291.328 1.863 0 50 CDAA CCOC(=O)Nc1nc(C)c(C(=O)N(C)C)s1 476495 UQALRUWBJINAOW-UHFFFAOYSA-N 257.315 1.722 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccoc1 837579 KKTDAYOTVMBJGR-JTQLQIEISA-N 250.254 1.471 0 50 CDAA CC(C)(C)OC(=O)N1CCN(CCCCN)CC1 2525356 ZVLALOSAKAKWTC-UHFFFAOYSA-N 257.378 1.278 0 50 CDAA COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H]1CCCO1 2860357 FXASVGRNWRLNHK-NSHDSACASA-N 292.335 1.237 0 50 CDAA OCC(Br)(Br)Br 3831573 YFDSDPIBEUFTMI-UHFFFAOYSA-N 282.757 1.817 0 50 CDAA in-man CN(C)CCCOC(=O)c1ccc2c(c1)OCCO2 4104422 RNJFMOQLENOXSJ-UHFFFAOYSA-N 265.309 1.566 0 50 CDAA Cc1ccc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1 4944776 SZUZKGNISXBIOL-VIFPVBQESA-N 270.292 1.135 0 50 CDAA CCn1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)n1 6698561 MIUBDXMGDCNWIM-UHFFFAOYSA-N 292.364 1.933 0 50 CDAA COCCCN1C(=O)C[C@H](Nc2ccc(F)cc2)C1=O 101130600 JXFKZATURZCNGK-LBPRGKRZSA-N 280.299 1.402 0 50 CDAA O=C1CN(C(=O)c2n[nH]c3ccccc23)[C@@H]2CCCC[C@H]2N1 225469962 OWPKECJFAZYFKL-CHWSQXEVSA-N 298.346 1.446 0 50 CDAA Cc1c[nH]c(CN(C)CCOC[C@@H]2CCCCO2)n1 20999285 CWNUFEDSUFQDFO-ZDUSSCGKSA-N 267.373 1.736 0 50 CDAA CN1CCC(N2CCC[C@H](NC(=O)C3CCCC3)C2)CC1 20201144 FZZYTNFZHFRZGR-HNNXBMFYSA-N 293.455 1.851 0 50 CDAA CN(CCO)C(=O)[C@@H]1CCCN(C2CCCCC2)C1 65531824 AELQOWYMFNMFSW-CYBMUJFWSA-N 268.401 1.482 0 50 CDAA CC[C@H](C)[C@@H](NCCc1ccncc1)C(=O)OC 351606901 VJAKHBZIDQQVIS-WCQYABFASA-N 250.342 1.801 0 50 CDAA CC(C)N(Cc1ccc(CO)o1)C[C@@H]1CCC(=O)N1 65506429 BCXLPXLNZQMQQA-NSHDSACASA-N 266.341 1.261 0 50 CDAA OC[C@H](CNc1ncc(Cl)cc1F)[C@@H]1CCOC1 281131328 YXKOSWDXZXYSDH-BDAKNGLRSA-N 274.723 1.931 0 50 CDAA C[C@H](Sc1ncccn1)C(=O)N[C@H](C)[C@H]1CCCO1 252467533 PWAWEPUAUJRHTC-OUAUKWLOSA-N 281.381 1.641 0 50 CDAA CNC(=O)c1cccnc1NC[C@@H](c1ccco1)N(C)C 301381618 ZJYLZKSDFCKPCI-LBPRGKRZSA-N 288.351 1.749 0 50 CDAA CCN(CC)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 252489751 JZEXERQXNBQUGI-INIZCTEOSA-N 293.455 1.946 0 50 CDAA O=C1NC2(CCC3(CC2)OCCO3)NN1c1ccccc1 1381966 FGXRVKDABMQIBT-UHFFFAOYSA-N 289.335 1.734 0 50 CDAA CC[C@H](CCO)CNC(=O)c1cccnc1S 125487205 LVHCDGRYCAVOAS-SECBINFHSA-N 254.355 1.509 0 50 CDAA COC(=O)c1cc(Cl)cc2c1OCC(=O)N2C 36460561 KZFHRCILXZTJNB-UHFFFAOYSA-N 255.657 1.482 0 50 CDAA Cc1c(S(N)(=O)=O)ccc(Br)c1F 36533154 NEKMWALUFKPMDZ-UHFFFAOYSA-N 268.107 1.544 0 50 CDAA COC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 34927109 AAQBBKIVIMLWIK-UHFFFAOYSA-N 272.345 1.149 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCC[C@H]2C(=O)O)s1 328591121 ULNNJVHIMMVXON-YEZKRMTDSA-N 266.322 1.540 0 50 CDAA C[C@@H](O)C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 328586907 BHGQWNRSRBEXSC-OQPBUACISA-N 273.254 1.743 0 50 CDAA O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccc(F)cn1 328644672 GBNATUYFYOYFDG-SNVBAGLBSA-N 260.272 1.231 0 50 CDAA CCS(=O)(=O)C[C@H](C)NC[C@H]1CCO[C@@H]1C(C)C 328630637 QBKKGBNJLJRWPJ-YNEHKIRRSA-N 277.430 1.460 0 50 CDAA CCc1cc(C(=O)N(C)C[C@H]2CCn3ccnc3C2)n[nH]1 328630027 PJXOXEUQUZLEOD-NSHDSACASA-N 287.367 1.503 0 50 CDAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)Cc1ccccc1O 172232602 MLYVHMRCLOLQGL-ZDUSSCGKSA-N 288.347 1.204 0 50 CDAA Cc1cc(N[C@H]2CCCCNC2=O)n2nc(C)cc2n1 72440478 UWWDEQCPECOEFW-NSHDSACASA-N 273.340 1.427 0 50 CDAA CN(C(=O)[C@@H]1CCOC1)[C@H]1CCO[C@@H]1c1cccnc1 328962344 LANCJWQYRLXQRA-HZSPNIEDSA-N 276.336 1.407 0 50 CDAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Cc1ccon1 328992674 VRVNSRRADMBJBZ-LBPRGKRZSA-N 290.323 1.157 0 50 CDAA CCS[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 123378046 HQUSMQBCYOOVLS-SFYZADRCSA-N 284.341 1.722 0 50 CDAA CC(C)c1cc(N2CCC[C@@H](C(N)=O)C2)n2nccc2n1 72412237 GQODHONWIBAWKP-LLVKDONJSA-N 287.367 1.554 0 50 CDAA CCCN(CC(N)=O)c1nc(CC)nc2sccc12 253433316 VODGLARAVWARTI-UHFFFAOYSA-N 278.381 1.955 0 50 CDAA CC(C)CCNC(=O)c1nc(CSCC(=O)O)no1 34924983 XSWPLOFBPMFKRU-UHFFFAOYSA-N 287.341 1.163 0 50 CDAA Cc1[nH]nc(CCC(=O)N2CCC[C@H](N(C)C)CC2)c1C 72173773 LYMUFHQRFWUWJM-AWEZNQCLSA-N 292.427 1.902 0 50 CDAA COC[C@@H]1CCN(C(=O)C2(NC(C)=O)CCCCCC2)C1 365639057 UNJZJVKAULKZNA-CQSZACIVSA-N 296.411 1.710 0 50 CDAA Cc1nnc(CC(=O)N[C@@H]2CN(C)Cc3ccccc32)o1 366958565 AIQBFWNCQKOACV-CYBMUJFWSA-N 286.335 1.223 0 50 CDAA Cc1nc(C)c(C(=O)N[C@H]2COCC2(C)C)nc1C 456531406 CGRMRABUASZVQY-NSHDSACASA-N 263.341 1.557 0 50 CDAA CNC[C@@H]1CCCN(C(=O)/C=C/C2CCOCC2)C1 237163761 GKYAAFSXNOIXPA-NNTXTVRGSA-N 266.385 1.427 0 50 CDAA Cc1nc(N(C)C)sc1C(=O)N[C@@H]1C=C[C@H](CO)C1 156456002 ZUFFCDWUKYGVHD-VHSXEESVSA-N 281.381 1.184 0 50 CDAA COc1cccc(OCC(=O)N2CC[C@H](N)C[C@H]2C)c1 237277666 LCBFSBVOTPYUIY-NEPJUHHUSA-N 278.352 1.412 0 50 CDAA CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2CCOCC 77505604 UKEXWBRAYOPOGV-UHFFFAOYSA-N 277.324 1.116 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CCN[C@@H](C)C1 237620353 QKBAAJJKLMWHHC-IUCAKERBSA-N 251.330 1.215 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC[C@H](c2ccncc2)C1 334142441 AJOSNSMXLWADPH-ZDUSSCGKSA-N 270.336 1.753 0 50 CDAA CN(C)c1nc(N)nc(CN2CC[C@H]3CCCC[C@H]3C2)n1 241719798 QPSFFFLMPZYHNV-NEPJUHHUSA-N 290.415 1.532 0 50 CDAA CN1C[C@]2(CCCN(Cc3cnc[nH]3)CC2)OC1=O 72168093 YDSBGQHPLBSSRB-CYBMUJFWSA-N 264.329 1.216 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N(C)[C@@H](C)c1ccncn1 221259738 DKJVSOZHYRMUOU-JTQLQIEISA-N 273.340 1.660 0 50 CDAA COC(=O)[C@@H]1CC[C@H](C(C)C)[C@@H](C(=O)OC)C1=O 43762920 JUDTYMLEFBBUNC-OPRDCNLKSA-N 256.298 1.200 0 50 CDAA CN(Cc1ccccc1)C1CN(C(=O)[C@H]2CCCO2)C1 288205066 CUYQKNAQFSUNCI-OAHLLOKOSA-N 274.364 1.508 0 50 CDAA CC(=O)Nc1cccc(NC(=O)CCc2nnc[nH]2)c1C 176806021 JEFSYMXWRZVSQR-UHFFFAOYSA-N 287.323 1.643 0 50 CDAA CCc1nccn1CCC(=O)N(CC)Cc1cnn(C)c1 222991516 HGAJIGKMSONPOZ-UHFFFAOYSA-N 289.383 1.618 0 50 CDAA CCCC[C@@H](NC(=O)NCc1ccc(C)s1)C(N)=O 426396380 GZRUAJCAVFTXMZ-LLVKDONJSA-N 283.397 1.900 0 50 CDAA Cc1ccc(C)c(O[C@H](C)C(=O)N2CCOCC2)c1 13710147 ZDFFGVFBHNADHF-CYBMUJFWSA-N 263.337 1.930 0 50 CDAA CCC[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1NC(C)=O 82097088 VIEAHMNHMSLGAI-TZMCWYRMSA-N 278.352 1.965 0 50 CDAA COc1ccc2cc(S(=O)(=O)NCCO)ccc2c1 41105588 DYFLEYKAERDXNG-UHFFFAOYSA-N 281.333 1.119 0 50 CDAA CCc1ccc2ncn(Cc3ncn[nH]3)c(=O)c2c1 43082556 MVWWEBBZTJIGED-UHFFFAOYSA-N 255.281 1.125 0 50 CDAA Cc1cc(C)n(CCCN(C)C(=O)[C@H](C)n2ccnc2)n1 426429089 RMJZIMNXABRPBB-AWEZNQCLSA-N 289.383 1.806 0 50 CDAA CNC(=O)[C@H](NC(=O)CCSC)c1ccccc1 220588998 QGKXKHKIAHUVFY-GFCCVEGCSA-N 266.366 1.343 0 50 CDAA CSCCC(=O)N[C@@H](C(=O)O)c1cccc(C)c1 223324396 XUZWVIDCOCNTIS-GFCCVEGCSA-N 267.350 1.990 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)c1ccnc(C(C)C)n1 426410412 CFQCUUWPGPDKKL-JTQLQIEISA-N 288.355 1.702 0 50 CDAA Cc1ccc(CC(=O)N2CCC(C(=O)O)CC2)cn1 265627273 ZKAXRFPQIVFECH-UHFFFAOYSA-N 262.309 1.256 0 50 CDAA CCc1nnc(CN(CC)C(=O)NCc2ccoc2)o1 426427894 GHMZFESMIFTSRE-UHFFFAOYSA-N 278.312 1.957 0 50 CDAA CSCCCNC(=O)CCc1n[nH]c(C)c1C 96154030 AVBPFQJZWLQQCV-UHFFFAOYSA-N 255.387 1.828 0 50 CDAA CCc1c(C)nc(N)nc1NCCCn1ccc(C)n1 95359502 DKAYMHGGZOVYMV-UHFFFAOYSA-N 274.372 1.937 0 50 CDAA c1ccc2[nH]c(C3CN(c4ccncn4)C3)nc2c1 91504566 GWWMARPQOLSAFA-UHFFFAOYSA-N 251.293 1.957 0 50 CDAA CNC[C@@H]1CCCN1C(=O)/C=C/c1csc(C)n1 237118695 OACRYKJZMDOYIE-FYJFLYSWSA-N 265.382 1.675 0 50 CDAA Cn1cc(C(=O)NC[C@@H]2COc3ccccc3C2)ccc1=O 95509953 RLZCTNLRBXUABK-GFCCVEGCSA-N 298.342 1.366 0 50 CDAA CC[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1C1CCCCC1)[C@@H]42 238899567 GRQDDABCUCEXTL-GCRDPWIXSA-N 291.391 1.909 0 50 CDAA Cn1ccnc1CN1CCN(Cc2ccc(Cl)o2)CC1 93108053 INUCQEPDMBAGBI-UHFFFAOYSA-N 294.786 1.984 0 50 CDAA Cc1ccc(CCCC(=O)N2CCOC[C@@H]2C(=O)O)cc1 299751503 QTBPJWVNPCLOHB-CQSZACIVSA-N 291.347 1.630 0 50 CDAA OC[C@H]1CCCN1Cc1cncn1Cc1ccccc1 244735084 NSUGLBYSKBFCRF-OAHLLOKOSA-N 271.364 1.888 0 50 CDAA Cc1cc2c(c(=O)n1C)[C@H](c1cccc(O)c1)CC(=O)O2 524730117 WJUKTZLGCLPCAE-LBPRGKRZSA-N 285.299 1.840 0 50 CDAA biogenic CCC1(O)CN(C(=O)Nc2ccnn2[C@H](C)C2CC2)C1 298207215 YQOLPKAMCNEJEK-SNVBAGLBSA-N 278.356 1.843 0 50 CDAA Cn1c(Sc2cnccn2)nnc1C1CCNCC1 534588222 SJJQCVTXLBWYTI-UHFFFAOYSA-N 276.369 1.223 0 50 CDAA CSc1cccc(NC(=O)N2CC[C@@](O)(CO)C2)c1 299769989 KORFVJRUDAKXFR-ZDUSSCGKSA-N 282.365 1.370 0 50 CDAA CSCC[C@H](N)C(=O)N1CC(OCc2ccccc2)C1 299777361 DMYJTDMMBOWEOO-AWEZNQCLSA-N 294.420 1.494 0 50 CDAA Cc1nc2c([nH]1)CN(C1CSCCSC1)CC2 825277042 UJZMQTLWALMQHC-UHFFFAOYSA-N 269.439 1.925 0 50 CDAA O=S(=O)(NCCCC[C@H]1CCCO1)N1CCCC1 828388448 DYMIYZHKCSCMQB-LBPRGKRZSA-N 276.402 1.266 0 50 CDAA Cc1cc(C)n(CCN(C)C(=O)C[C@@H]2CCOC2)n1 584886705 DFZYNWMCEAPEJH-ZDUSSCGKSA-N 265.357 1.385 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cccc(-c3ncc[nH]3)c2)n[nH]1 670469219 UEHYZTZLTJEXJG-VIFPVBQESA-N 296.334 1.994 0 50 CDAA Cn1nccc1CN1CCC(CNC(=O)C2CCC2)CC1 1001111174 WTTIDWNUVVMYSW-UHFFFAOYSA-N 290.411 1.548 0 50 CDAA CCOc1ccnc(N(C)Cc2cnn(C)c2C)n1 670447251 WCRMGUZODKQRAN-UHFFFAOYSA-N 261.329 1.554 0 50 CDAA COC1CCN(Cn2c(=O)n(C)c3ccccc32)CC1 685939960 VSSGQGYRMJCQPL-UHFFFAOYSA-N 275.352 1.408 0 50 CDAA O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)CC1CC1 1550925082 FOCILZZFEATQDL-AWEZNQCLSA-N 275.304 1.833 0 50 CDAA C[C@]1(O)CCN(CCc2c[nH]c3ccccc23)C[C@H]1O 1565513692 YOIQVSBCKFRVHZ-CVEARBPZSA-N 274.364 1.528 0 50 CDAA Fc1cccnc1N1CC[C@H](Nc2ncnc3nc[nH]c23)C1 301538534 AWOFXTSWLPMBRQ-VIFPVBQESA-N 299.313 1.578 0 50 CDAA CC[C@@H](N[C@@H](C)C1CCCC1)C(=O)N1CCOCC1 165172177 OXUDBHJOTLWNNF-GXTWGEPZSA-N 268.401 1.792 0 50 CDAA CC(=O)CCC(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O 408066300 WXWSBDNSCBYIHN-MGPQQGTHSA-N 283.368 1.134 0 50 CDAA COC1(C(=O)NS(=O)(=O)c2cnccc2C)CCCC1 408505746 XYYMKVDCDYUFHI-UHFFFAOYSA-N 298.364 1.154 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cscn1 275430585 UVDUYDNRHLHWGS-ONGXEEELSA-N 292.364 1.620 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc[nH]c2)cn1 275400854 NITXMURUJVZERS-QWHCGFSZSA-N 274.324 1.398 0 50 CDAA C[C@H](O)CNc1cncc(OC2CCCCC2)n1 170083562 FSBLRESYQYKVMC-JTQLQIEISA-N 251.330 1.981 0 50 CDAA Cc1nc(CN)cc(N2CCC(N3CCCC3)CC2)n1 71279052 PBXVBYFRELOKQK-UHFFFAOYSA-N 275.400 1.308 0 50 CDAA O[C@H](CNCc1cccc2c1CCOC2)C(F)(F)F 634727785 FLIXGWRABNQCEL-GFCCVEGCSA-N 275.270 1.772 0 50 CDAA C[S@@](=O)c1nncn1Cc1cc(Cl)ccc1F 189020882 ACTQIKUPCUMRQV-QGZVFWFLSA-N 273.720 1.856 0 50 CDAA CC(=O)N[C@@H]1CCCN(Cc2cccc3c2CCOC3)C1 639454092 OZYKEGBYEHOFRC-MRXNPFEDSA-N 288.391 1.860 0 50 CDAA CCNC(=O)NCCNC(=O)Nc1cccc(C)c1 585086326 AGFQLWBEMOZPQK-UHFFFAOYSA-N 264.329 1.436 0 50 CDAA O[C@@]1(Cn2cc(-c3ccccc3F)nn2)CCCOC1 641218523 VZAYAAAHYJTVIY-CQSZACIVSA-N 277.299 1.626 0 50 CDAA COC(=O)N[C@H](C(=O)Nc1csc(C(N)=O)c1)C(C)C 585124428 CQYBTHBWFNMPOA-VIFPVBQESA-N 299.352 1.166 0 50 CDAA CCn1nccc1CN(CCO)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 644084768 DUFSAEMEUIFYHE-YDHLFZDLSA-N 289.379 1.436 0 50 CDAA CN1C(=O)C[C@H](Nc2nc3cc(F)ccc3o2)C1=O 192627696 XMUAMGQSPNBKDY-QMMMGPOBSA-N 263.228 1.136 0 50 CDAA CN1CC[C@H](NC(=O)c2ccc(Cl)cn2)CC1=O 194197792 MVXSTNCFMRUXTI-VIFPVBQESA-N 267.716 1.086 0 50 CDAA Cc1cc(F)cc(C(=O)NC[C@@H](C)c2nncn2C)c1 194267460 LPBLITNKRNMYAU-SNVBAGLBSA-N 276.315 1.796 0 50 CDAA Cc1ccc(S(=O)(=O)NC[C@H](C)N)cc1Cl 195300168 VOMWSNCMSZLAPC-QMMMGPOBSA-N 262.762 1.274 0 50 CDAA C[C@H]1CCNC[C@H]1NC(=O)c1c(F)cc(F)cc1F 86996430 JGJCAMQSEJPZRW-WRWORJQWSA-N 272.270 1.832 0 50 CDAA CS(=O)(=O)NCC1(c2ccccc2)CCOCC1 38592044 DQHDUCNQAPOXCR-UHFFFAOYSA-N 269.366 1.284 0 50 CDAA CCc1cc(C(=O)N[C@](C)(CO)C2CC2)ccc1O 1615582679 UXBBRZJELMDQBF-OAHLLOKOSA-N 263.337 1.845 0 50 CDAA C[C@H]1C[C@H](NC(=O)CCN)CN1Cc1ccccc1 209869768 OYLLMQUUEAKRES-JSGCOSHPSA-N 261.369 1.114 0 50 CDAA Nc1cc(N)nc(SCCOc2ccccc2F)n1 2138896 XMRJVHFUISUHAM-UHFFFAOYSA-N 280.328 1.951 0 50 CDAA C[C@@H]1CCCCN1CC(=O)NC1(CO)CC=CC1 1857687272 NWPQGCUZBHDTSG-GFCCVEGCSA-N 252.358 1.058 0 50 CDAA O=C1NCCCC[C@@H]1n1ccnc1-c1nccs1 1875250263 KDDGJUCHZUQDHN-VIFPVBQESA-N 262.338 1.848 0 50 CDAA CCCc1cc(C(=O)N2C[C@@H]3CCC[C@@H](C2)C(=O)N3)no1 211982039 URNPOYYMBVHVGR-QWRGUYRKSA-N 291.351 1.368 0 50 CDAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@@H](N)C1 227454158 ZRAXDDXGRDMKBG-AAVRWANBSA-N 265.401 1.199 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)c2cc(C)n(C(F)F)n2)C1 457877250 KXYMOCKKBVYXOA-DTORHVGOSA-N 273.283 1.884 0 50 CDAA Cn1cc(CNC(=O)[C@H]2CCCO2)c(C(F)(F)F)n1 156392185 KXYMGYOFBDGACQ-MRVPVSSYSA-N 277.246 1.234 0 50 CDAA O=C(O)CCCCC(=O)N1CCC2(CCOCC2)C1 261589121 KLLOLWGFLJVLIX-UHFFFAOYSA-N 269.341 1.661 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cncc(F)c1 156677552 BTQWMTGXKCGEOP-SKDRFNHKSA-N 251.305 1.563 0 50 CDAA CC(C)CCc1cc(C(=O)N2CCc3nc[nH]c3C2)n[nH]1 1565524426 MFSPMILZEDEIBP-UHFFFAOYSA-N 287.367 1.920 0 50 CDAA Cc1cc(=O)n2c(n1)NC(=S)N[C@H]2c1ccccc1 1738811117 VXOAIJQULMGGHM-LLVKDONJSA-N 272.333 1.399 0 50 CDAA Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccccc1 11690467 OKIAGEBDCGVIEU-CYBMUJFWSA-N 286.335 1.485 0 50 CDAA CN(C)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 11873109 UEEMUPUBCKVOJG-HNNXBMFYSA-N 280.343 1.241 0 50 CDAA COCCNC(=O)CCC1CCN(C(=O)C=C(C)C)CC1 12571665 JERSIFPIUHQSTM-UHFFFAOYSA-N 296.411 1.734 0 50 CDAA O=C(NCc1ccc(F)cc1)c1cccc(-n2cnnn2)c1 12764285 MFDGANRPYIZJMI-UHFFFAOYSA-N 297.293 1.731 0 50 CDAA O=C(O)c1cc(=O)c2cc(Br)ccc2[nH]1 13821217 NYSWHDCWDSWVAJ-UHFFFAOYSA-N 268.066 1.989 0 50 CDAA CCOC(=O)[C@H](CO)NCCC(=O)c1ccc(Cl)cc1 19720553 IZYJKMUQAISXGP-LBPRGKRZSA-N 299.754 1.426 0 50 CDAA COc1ccccc1N1CCN([C@H]2CCCN(C)C2)CC1 200536336 LDEJZYGLXWHIPX-HNNXBMFYSA-N 289.423 1.911 0 50 CDAA COc1ccccc1OC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 103381384 IZIUAPHQUZQLQD-MGPQQGTHSA-N 295.379 1.544 0 50 CDAA CN(C)C[C@]1(O)CCCN(c2cc(C(C)(C)C)ncn2)C1 631345103 WHTCTPMPMJICDT-MRXNPFEDSA-N 292.427 1.667 0 50 CDAA CC(C)(C)[C@@]1(O)C[C@@](C(=O)O)(C(C)(C)C)OC1=O 6556206 NQPNKQWQQQUQDN-CHWSQXEVSA-N 258.314 1.580 0 50 CDAA C[C@H](Cc1cccs1)C(=O)N1CCO[C@@H](C(=O)O)C1 237572318 USSOUPVOIRESNH-MWLCHTKSSA-N 283.349 1.239 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 238175160 ITCGCAVHVMQPMG-VHSXEESVSA-N 269.247 1.659 0 50 CDAA O=C(O)c1ccc(C(=O)NCC(=O)N2CCCCC2)cc1 134432835 ZAFBNGISVOUFGL-UHFFFAOYSA-N 290.319 1.127 0 50 CDAA Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](O)C1CCOCC1 677894533 YBTMQSSZEQZGSD-LBPRGKRZSA-N 295.383 1.359 0 50 CDAA O=C(NCc1ccc(C(=O)O)o1)c1cc(C2CC2)[nH]n1 262114402 HNWOBYVRILIHME-UHFFFAOYSA-N 275.264 1.508 0 50 CDAA Cc1nc2n(n1)C[C@H](C(=O)Nc1ccccc1N(C)C)CC2 930102364 JUJCQOUPROOIRN-GFCCVEGCSA-N 299.378 1.854 0 50 CDAA O=c1c2cnccc2ccn1CCO[C@@H]1CC1(F)F 853696172 AYECECPZXZSKIM-LLVKDONJSA-N 266.247 1.821 0 50 CDAA Cc1noc(C)c1-c1noc([C@H]2CNC[C@@H](C)O2)n1 854161857 ZOXSEHQEXPRVCN-HZGVNTEJSA-N 264.285 1.391 0 50 CDAA Nc1c[nH]nc1[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 864382156 HADGQGMJQWEZST-QMMMGPOBSA-N 291.742 1.670 0 50 CDAA Cc1cc(N2CCC(CN(CCO)C(C)C)CC2)ncn1 952883741 XJBULQXUOYOXAT-UHFFFAOYSA-N 292.427 1.704 0 50 CDAA CC[C@@H](O)CN1CCc2nnc(-c3cnn(C)c3)cc2C1 952893993 LETZAXSZPWNQOJ-CYBMUJFWSA-N 287.367 1.006 0 50 CDAA CCOCCCCN=c1cc(CC(C)C)[nH]c(=N)[nH]1 1875275400 LKYSTKSGZSHMND-UHFFFAOYSA-N 266.389 1.738 0 50 CDAA COc1cc(CC(=O)N=c2cns[nH]2)cc(OC)c1 1875276090 MKGIVEPPBGFHKQ-UHFFFAOYSA-N 279.321 1.158 0 50 CDAA COC[C@H]1C(=O)N[C@@H](c2cc(C)nn2C2CCCC2)N1C 1875393527 IMHALZPKPSIHKA-UONOGXRCSA-N 292.383 1.382 0 50 CDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2NCCn2cccn2)C1 886082459 CJXZHFVUHIYQEM-KFWWJZLASA-N 278.400 1.115 0 50 CDAA COC1CC(N[C@H]2CCO[C@@H]2c2cnn(CC3CC3)c2)C1 888076776 BTKITLGCFLMCAL-SSHXOBKSSA-N 291.395 1.890 0 50 CDAA CCOC(=O)c1cn(C)cc1NC(=O)N(C)CCCOC 1311284162 QDJUPCKRAVWTQZ-UHFFFAOYSA-N 297.355 1.702 0 50 CDAA Cc1cccc2[nH]c(CN3CCn4nnc(CO)c4C3)cc12 894810011 RIKVJJWDGWJEAC-UHFFFAOYSA-N 297.362 1.576 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1nccc2cccnc12 1775599758 DGJCLVYLFTYXGG-MLGOLLRUSA-N 282.347 1.644 0 50 CDAA OC[C@H]1c2c[nH]nc2CN1CCOCC1CCC1 1775987350 IVNHYBXPHASFCS-ZDUSSCGKSA-N 251.330 1.075 0 50 CDAA NC(=O)c1cc(Cl)ccc1OC[C@@H](O)C(F)(F)F 158415720 JBNVYFBQPVKYJD-MRVPVSSYSA-N 283.633 1.741 0 50 CDAA C[C@H](CCCO)Nc1cc(N2CCCC2)ncn1 277291440 BIADDQQOBBHEII-LLVKDONJSA-N 250.346 1.650 0 50 CDAA CSC[C@@H]1CCCN(C(=O)CCCC(=O)O)C1 310545954 UXVDRQNNJVNQJO-SNVBAGLBSA-N 259.371 1.843 0 50 CDAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H]2COCC[C@@H]21 408069463 BNLALBUQPSQRKM-XQHKEYJVSA-N 281.352 1.213 0 50 CDAA CC(C)n1nccc1C(=O)N[C@H]1C[C@@H](C(=O)O)C1 426505667 GBMNLZCQFLXSNH-DTORHVGOSA-N 251.286 1.057 0 50 CDAA CC(C)(F)CNS(=O)(=O)Cc1cccc(C(=O)O)c1 634653858 MMDAGXPTXGCLOJ-UHFFFAOYSA-N 289.328 1.552 0 50 CDAA CC1(C)C[C@H](NC(=O)c2ccncc2)CCS1(=O)=O 888397509 DSPJIFPUSUZHOH-LLVKDONJSA-N 282.365 1.167 0 50 CDAA C[C@H]1CN(C[C@](C)(O)C(=O)O)CCN1c1ccccc1 903957929 RRBVLIORAZOJKI-WFASDCNBSA-N 278.352 1.033 0 50 CDAA Cn1cnc2nc(-c3ccc([C@@H]4CNC(=O)C4)cc3)ncc21 2100480649 MJPRZANAKGGBRG-LBPRGKRZSA-N 293.330 1.634 0 50 CDAA Cc1ccccc1OCCC(=O)N1C[C@H](O)[C@@H](F)C1 1616111079 MBBNKTHRCSMNPQ-RYUDHWBXSA-N 267.300 1.305 0 50 CDAA N[C@]1(CO)CCCN(c2nc(-c3ccccc3)ns2)C1 900376516 XQHPLAHAHLFQFZ-CQSZACIVSA-N 290.392 1.495 0 50 CDAA Cc1noc(COC(=O)c2cc(-c3ccco3)[nH]n2)n1 913299651 OAJPQCOPRVSUSI-UHFFFAOYSA-N 274.236 1.718 0 50 CDAA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCNC1=O 287701 MZURRFOUDOALSB-FZMZJTMJSA-N 299.374 1.741 0 50 CDAA biogenic CCc1ccccc1N(CC(=O)O)S(C)(=O)=O 380060 IPLDHWHTIOYGAP-UHFFFAOYSA-N 257.311 1.100 0 50 CDAA CC(C)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)O 1569747 KFKWRHQBZQICHA-QWHCGFSZSA-N 278.352 1.172 0 50 CDAA endogenous,in-man NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 1793737 PQLKEVNOEOGTII-UHFFFAOYSA-N 259.261 1.146 0 50 CDAA biogenic CCc1nc(C)ccc1OCC(=O)NCCCN(C)C 2024793 XICCHOGVPNYPFH-UHFFFAOYSA-N 279.384 1.399 0 50 CDAA CCOc1ncccc1-c1n[nH]c(N2CCOCC2)n1 2356147998 BTRDEISQIWPZHS-UHFFFAOYSA-N 275.312 1.102 0 50 CDAA CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 2967838 GRYAHKLLRIXBBX-CYBMUJFWSA-N 292.335 1.319 0 50 CDAA CC(C)(C)n1nnnc1CN1CC2CC1(C(F)(F)F)C2 459800528 FNXMFDWPEYVUST-UHFFFAOYSA-N 289.305 1.955 0 50 CDAA O=C(NCC(F)(F)F)C1CCN(CC(F)F)CC1 225385552 OKDCOUSGAYBUAH-UHFFFAOYSA-N 274.233 1.642 0 50 CDAA Nc1ccccc1C(=O)NCCNC(=O)Nc1ccccc1 225394336 RWKNQUADQXRMEX-UHFFFAOYSA-N 298.346 1.820 0 50 CDAA CC(C)[C@H](Nc1nccc(C(F)(F)F)n1)C(N)=O 225872017 GJGHWQUDSZMESE-ZETCQYMHSA-N 262.235 1.417 0 50 CDAA CCn1c(CCNS(=O)(=O)C2CC2)nc2ccccc21 173074489 IWYMNVQKOAYSJQ-UHFFFAOYSA-N 293.392 1.681 0 50 CDAA C[C@@H]1[C@H]2C[C@@H]([C@H](S(=O)(=O)NC(C)(C)C)C2=O)C1(C)C 104833595 VZDNKECTTRBKMX-SVDPJWKOSA-N 287.425 1.954 0 50 CDAA Cc1nnc(NC(=O)CNC(=O)c2ccc(F)cc2)s1 23626108 DAOYQSXEOGCDJX-UHFFFAOYSA-N 294.311 1.354 0 50 CDAA Cn1cccc1CN1CCN(C(=O)Cc2ccccc2)CC1 20064284 KUXVVXHNRQCZOA-UHFFFAOYSA-N 297.402 1.912 0 50 CDAA CCOC(=O)/C=C(\C)NCCN/C(C)=C/C(=O)OCC 22917206 HMXUQEJOCJENHF-WGDLNXRISA-N 284.356 1.099 0 50 CDAA O=C(O)C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O 170622862 DJGOZIWIKRIMOA-VIFPVBQESA-N 282.683 1.235 0 50 CDAA C[C@H](COc1ccccc1)C(=O)N1C[C@@H](F)C[C@@H]1CO 348803290 WREZLYPQACGJST-FRRDWIJNSA-N 281.327 1.633 0 50 CDAA O=C(NCc1nc2cc(F)ccc2[nH]1)c1cn[nH]c1 176115794 SBGIBHIUSVKGKV-UHFFFAOYSA-N 259.244 1.355 0 50 CDAA COc1cccc(OCCOn2nnc3cccnc32)c1 252498017 QTZURWIWWDQFBT-UHFFFAOYSA-N 286.291 1.343 0 50 CDAA Cn1c(Cc2ccccc2)nnc1S[C@@H]1COC(=O)C1 36646345 FWEOUJKLUJMJGB-NSHDSACASA-N 289.360 1.814 0 50 CDAA CS(=O)(=O)CCN1CC[C@H](Cc2cccc(CO)c2)C1 219577244 IOSQFZMOYQPWIO-CQSZACIVSA-N 297.420 1.088 0 50 CDAA COc1ncc(Cl)c(NC[C@H](CO)[C@@H]2CCOC2)n1 281010949 OVYHEQFKECNSQR-RKDXNWHRSA-N 287.747 1.196 0 50 CDAA CCN1CC[C@@H](N(C)C(=O)NCc2cccnc2)[C@@H](C)C1 229848038 QEBKOQHVRPOVJF-DZGCQCFKSA-N 290.411 1.953 0 50 CDAA C[C@H](COCC(F)(F)F)NC(=O)[C@@H]1CCCCN1 253430207 DWRFNVPSEMBMAU-BDAKNGLRSA-N 268.279 1.212 0 50 CDAA Cn1cc(CN2CCN(C3CCCC3)[C@H](CCO)C2)cn1 39500120 MKPHOEUPXWCFMJ-MRXNPFEDSA-N 292.427 1.231 0 50 CDAA N=C(O)c1cnn2c1CC[C@@H](CN[C@H]1CCSC1)C2 328626042 DTEQOXZNYGKXKC-UWVGGRQHSA-N 280.397 1.424 0 50 CDAA CC/C=C\CCCN1C[C@@H](N)C[C@H]1C(=O)NC(C)C 71278841 HUYITDYXVGLURW-LAWSMPECSA-N 267.417 1.659 0 50 CDAA CCCCO[C@H](C)C(=O)N1CCO[C@@H](c2nnc(C)o2)C1 328610275 HEOKHWNBDRZXAB-ZYHUDNBSSA-N 297.355 1.483 0 50 CDAA COc1cc(OC(C)C)ccc1[C@H](N)CC(=O)O 32919555 MKXAHDLJNBAKKN-LLVKDONJSA-N 253.298 1.957 0 50 CDAA CC1(C)C[C@@]1(C(=O)N1CC(O)C1)c1ccccc1F 216010849 IUYSVAHPSCZNTL-HNNXBMFYSA-N 263.312 1.697 0 50 CDAA Cc1cc(C)cc([C@@H](C)NS(=O)(=O)c2cnnn2C)c1 330175862 ZZPATGSDWXEFOA-LLVKDONJSA-N 294.380 1.471 0 50 CDAA CCCc1ncncc1C(=O)NCc1cnc(C)cn1 216510721 DEVZYXLUOVYITJ-UHFFFAOYSA-N 271.324 1.458 0 50 CDAA CCN(C(=O)[C@H]1COCCO1)c1cccnc1C 331269986 UDOCMWNYPMLPBR-GFCCVEGCSA-N 250.298 1.158 0 50 CDAA C[C@H](C(=O)N1CC[C@H](Cc2ccccc2)C1)n1cncn1 172631935 MDKDJBVQNROFHS-UKRRQHHQSA-N 284.363 1.930 0 50 CDAA Cc1cccc(CNC(=O)CN2CC[C@](O)(C(F)F)C2)c1 451423659 FOZIMUVZUGIOIO-OAHLLOKOSA-N 298.333 1.313 0 50 CDAA O=C(O)CSCCNC(=O)[C@H]1CCc2ccccc21 262443398 VCJJCOYOMFCSDR-LBPRGKRZSA-N 279.361 1.650 0 50 CDAA N[C@@H]1CC[C@@H](NC(=O)c2ccccc2-n2cccn2)C1 71764149 VRBBFZJQJZBJDL-VXGBXAGGSA-N 270.336 1.482 0 50 CDAA CCC[C@]1(NC(=O)c2cc3n(n2)CCCC3)CCOC1 333090732 OEPLCHOKBXBHBP-HNNXBMFYSA-N 277.368 1.908 0 50 CDAA COc1ccccc1/C=C/C(=O)N1CCC[C@H]1CN 237083979 OHPILIUEELZXPA-XEHSLEBBSA-N 260.337 1.658 0 50 CDAA CN(CC(=O)O)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F 237155046 JEHGAHYXBDATRS-SFYZADRCSA-N 269.247 1.611 0 50 CDAA Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)C(=O)O)c1 237585472 VXZIEGUWLLZYQY-NSHDSACASA-N 276.336 1.798 0 50 CDAA CCCOc1ccc(S(=O)(=O)NCCCO)cc1C 41095937 DIBKHIKSGFLBOF-UHFFFAOYSA-N 287.381 1.445 0 50 CDAA O=C(O)C1CCN(c2nnc(C(F)F)s2)CC1 379739964 HFMHFUQAWOMQTE-UHFFFAOYSA-N 263.269 1.777 0 50 CDAA Cc1cc(C(=O)NC[C@](C)(O)C(=O)O)ccc1Cl 138118276 CEMZRNVPQALGGD-LBPRGKRZSA-N 271.700 1.214 0 50 CDAA Cc1cc(CC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)n[nH]1 176079623 LQBVOEUZXADPJW-CYBMUJFWSA-N 298.346 1.182 0 50 CDAA N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](O)C1 131581560 DLQSQLUIXMYHJR-GXTWGEPZSA-N 287.363 1.021 0 50 CDAA O=C(Cn1sc2ccccc2c1=O)NCc1cccnc1 40283300 XBODQDHPYIELSQ-UHFFFAOYSA-N 299.355 1.774 0 50 CDAA N=c1[nH]cnc2cc(C(=O)N[C@@H]3CCCC[C@@H]3O)ccc12 612656528 ZTIKJQMQIPQWJT-YPMHNXCESA-N 286.335 1.076 0 50 CDAA Cc1noc(C)c1CNC(=O)c1n[nH]c2c1CCC2 329096294 YCEOIZXISPYBBY-UHFFFAOYSA-N 260.297 1.433 0 50 CDAA CCc1csc(CNC(=O)C[C@@H]2CCOC2)n1 426489798 UNKGAXQBHMVRPP-VIFPVBQESA-N 254.355 1.748 0 50 CDAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(-c2cc[nH]n2)cc1 223897664 OLTPVAZRZHKRRE-SNPRPXQTSA-N 283.331 1.984 0 50 CDAA C[C@@H](C(=O)NCCc1nc2c(s1)CCC2)n1cccn1 426503313 OHXIOYGBTMSPED-JTQLQIEISA-N 290.392 1.748 0 50 CDAA Cc1nc2ccc(CNC(=O)C[C@H]3CCOC3)cc2[nH]1 426535414 GUJXZOIHVZXPDT-GFCCVEGCSA-N 273.336 1.914 0 50 CDAA O=C1COc2c(cccc2NC(=O)[C@H]2CCCCO2)N1 291481298 QDVQKDCGTNZGNE-LLVKDONJSA-N 276.292 1.525 0 50 CDAA COc1cccc(Cn2ncnc2-c2cnn(C)c2)c1 91849073 XMIBGDBNVNSTNT-UHFFFAOYSA-N 269.308 1.736 0 50 CDAA Cc1cnn(CC(=O)NCCCn2cc(Cl)cn2)c1 144138367 STHGTDZOOHSLHT-UHFFFAOYSA-N 281.747 1.248 0 50 CDAA Cc1cc(C(=O)N(C)[C@@H]2CCNC2)c(C)n1C1CC1 179088778 YCANDBXYDPWERB-CYBMUJFWSA-N 261.369 1.874 0 50 CDAA CCN(Cc1nc(COC)no1)C(=O)c1ccn(C)c1C 426528090 UQZTXWASUKUWSB-UHFFFAOYSA-N 292.339 1.525 0 50 CDAA CSc1ncc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)cn1 91451916 WUIGKBWGYJFLLD-RNCFNFMXSA-N 281.381 1.432 0 50 CDAA CCc1csc(CCNC(=O)[C@@H]2CC(=O)N(CC)C2)n1 91562894 DWTNHLMRZIXYOS-SNVBAGLBSA-N 295.408 1.233 0 50 CDAA COC[C@H](Nc1nnc(C2CCC2)o1)c1ccnn1C 95354763 CWDWWERXGQFXCM-JTQLQIEISA-N 277.328 1.870 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](O)CO2)C1 95742947 LILGESIHSOUCBM-GXFFZTMASA-N 257.330 1.537 0 50 CDAA O=C(c1cnc(-c2ccncc2)nc1)N1CCCC[C@@H]1CO 97244214 OQWOVPIXGQPGHB-CQSZACIVSA-N 298.346 1.526 0 50 CDAA CCC[C@H](C(=O)Nc1n[nH]cc1Br)N(C)C 293981761 RHZCLWCTJSFWDM-MRVPVSSYSA-N 289.177 1.841 0 50 CDAA Cc1ncsc1CCN(C)CC(=O)NC[C@H]1CCCO1 244708245 KQBGTQRNIFBVRO-GFCCVEGCSA-N 297.424 1.221 0 50 CDAA O=C(NCCc1cnc2c(Cl)cnn2c1)[C@@H]1CCCO1 295297063 GSTYLOHBFAFJCA-NSHDSACASA-N 294.742 1.220 0 50 CDAA COc1ccc([C@@H](C)C(=O)N2CCO[C@H](C(=O)O)C2)cc1 299741992 AOSPJJPJPFURBG-MFKMUULPSA-N 293.319 1.111 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH]ncc32)C[C@@H](C)O1 246411932 BIPRENLPDLPMEF-MXWKQRLJSA-N 263.341 1.465 0 50 CDAA C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(OCC(=O)O)cc1 621539935 DEUNGYAZTHDTFW-BMIGLBTASA-N 293.319 1.447 0 50 CDAA CCC[C@H](C(=O)OC)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 244898917 ZDXKGUITOPNZOR-PREPNJAASA-N 277.320 1.135 0 50 CDAA COCCN(Cc1ccccn1)Cc1nc[nH]c1C 252483516 FDFIFRHVFQYVPU-UHFFFAOYSA-N 260.341 1.762 0 50 CDAA COC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 252538707 NERYXAZSHAQKSM-JTQLQIEISA-N 271.338 1.323 0 50 CDAA CN(Cc1cccc2[nH]ccc12)Cc1nncn1C 276890619 GHEHCWWMRQLQHZ-UHFFFAOYSA-N 255.325 1.928 0 50 CDAA O=C(NCCOCCO)c1cccc(-c2nccs2)c1 299762910 DEISRGVXHCPBQT-UHFFFAOYSA-N 292.360 1.549 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)Cc1cccnc1)C1CC1 299758069 AMXWXJJFOPWVSV-AWEZNQCLSA-N 270.336 1.625 0 50 CDAA CCOCc1nc(CC(N)=O)nn1-c1cccc(C)c1C 823338151 NWNOZTPZNBYSQX-UHFFFAOYSA-N 288.351 1.448 0 50 CDAA CC(C)n1cc(C(=O)NCCSc2nc[nH]n2)cn1 828206321 HRYSMWXQTUUXBE-UHFFFAOYSA-N 280.357 1.104 0 50 CDAA Cc1nc([C@@H]2CCC(=O)N2)n(-c2ccc(F)c(F)c2)n1 828258777 VZEOBJFNLVSKKH-NSHDSACASA-N 278.262 1.805 0 50 CDAA Cc1ccsc1C(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 584897273 ZEQQUARECGGGTI-RYUDHWBXSA-N 280.393 1.338 0 50 CDAA CC(C)(C)OC(=O)NCc1nc2c(s1)CCNC2 584879978 FFACFGNGHKIXKZ-UHFFFAOYSA-N 269.370 1.814 0 50 CDAA CCOC(=O)c1cnn(C(=O)OC(C)(C)C)c1N 585672464 XZROSVZUYRZDDX-UHFFFAOYSA-N 255.274 1.425 0 50 CDAA CCC(=O)N1CCC(C(=O)N2CCC[C@H]2COC)CC1 824469408 AVKXVCPESUMIIK-ZDUSSCGKSA-N 282.384 1.272 0 50 CDAA Cc1ncc(C(=O)NCCCC[C@@H]2CCCO2)c(O)n1 584884257 SIWFNWJQDCWPHK-LLVKDONJSA-N 279.340 1.570 0 50 CDAA Cc1ccccc1C1(NC(=O)N2CC[C@H](O)[C@H](O)C2)CC1 584892175 SEBSYOSXRTUCSZ-UONOGXRCSA-N 290.363 1.121 0 50 CDAA CN(CCC(=O)NC1CCCC1)CC1(CO)CCCC1 670467793 VMGPCWOJMLZPCS-UHFFFAOYSA-N 282.428 1.920 0 50 CDAA Cc1cc(C)n([C@H](C)CNC(=O)N2CCSCC2)n1 584894766 XGIVWVAEGXSSAQ-GFCCVEGCSA-N 282.413 1.819 0 50 CDAA Cc1nc(C)c(C(=O)N[C@H](C)c2nnc(N)s2)s1 670462220 AFKIWBMZBTXIOK-RXMQYKEDSA-N 283.382 1.685 0 50 CDAA NC[C@@H]1C[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)CCN1 757207443 BEYZMBORRMATFB-RCWTZXSCSA-N 265.323 1.244 0 50 CDAA CCOCC(=O)Nc1ccccc1N1C(=O)N[C@@H](C)C1=O 952989302 UPVZSRKADKEJHN-VIFPVBQESA-N 291.307 1.106 0 50 CDAA O=C(O)[C@@]12COC[C@@H]1CN(Cc1cccc(Cl)c1)C2 1549285889 UOSCPYDOTRINFB-FZMZJTMJSA-N 281.739 1.873 0 50 CDAA C[C@]1(c2ccccc2)CCCN1C(=O)[C@@H](N)CC(=O)O 1550218585 YDVQUOVRCLKBBV-SWLSCSKDSA-N 276.336 1.326 0 50 CDAA CC(C)c1cc(C(=O)N2CCCC[C@H]2C(=O)O)nc(N)n1 952982791 QYJPWWKBZOKLGI-NSHDSACASA-N 292.339 1.262 0 50 CDAA COc1ncc(CN[C@H]2CCCN(C(=O)C(C)C)C2)cn1 952985395 ACGALAWKEJOXJI-ZDUSSCGKSA-N 292.383 1.222 0 50 CDAA CCOCC(=O)N1CCC(C(=O)N2CC=C[C@H]2CC)CC1 952978050 DLNQPLFGFCNOET-CQSZACIVSA-N 294.395 1.439 0 50 CDAA O[C@@H](CN1Cc2ccccc2C2(CC2)C1)Cn1cccn1 186189884 QHBJHEYFTTVMGD-HNNXBMFYSA-N 283.375 1.791 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)[nH]n1 275802032 XSOMGZFKEKEYFA-ZYHUDNBSSA-N 251.330 1.509 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2c[nH]c3ncccc23)C1 169931140 SDAFQLVOSOZZDA-SECBINFHSA-N 273.292 1.500 0 50 CDAA Cc1cnc(C)c(NCCNC(=O)c2cccs2)n1 170595502 JRIDJHSDWWXEOV-UHFFFAOYSA-N 276.365 1.997 0 50 CDAA C[C@H](OC(=O)CCn1nc2ccccn2c1=O)C1CC1 170629740 NLNQTSKOTXFNDX-JTQLQIEISA-N 275.308 1.228 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N1CCCc2n[nH]cc21 280021240 DKSGSVIVMBGYBI-ZWNOBZJWSA-N 263.341 1.894 0 50 CDAA Cn1cnnc1CN1CCC(CC(F)(F)F)CC1 551711560 CYINUGKWIMPEPS-UHFFFAOYSA-N 262.279 1.980 0 50 CDAA Cc1c([C@@H](C)NC(=O)Cc2cncs2)cnn1C 188746315 OXRVVTGQTYYNSM-MRVPVSSYSA-N 264.354 1.605 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2C[C@@H]2C2CC2)cn1 190007632 HMGWZTOBHRSYPA-ZOBORPQBSA-N 275.352 1.412 0 50 CDAA Cn1ncnc1S(=O)(=O)[C@H]1CCc2c(Cl)cccc21 191064774 CGIDUNLMSPCMCU-NSHDSACASA-N 297.767 1.930 0 50 CDAA NC(=O)C[C@]1(O)CCCN(Cc2ccccc2C2CC2)C1 643746767 UNLSNDRDJPPETO-QGZVFWFLSA-N 288.391 1.766 0 50 CDAA CCCc1[nH]ccc1C(=O)N1CCC[C@@]1(COC)C(N)=O 644060446 UROISZCHXQYMFE-OAHLLOKOSA-N 293.367 1.074 0 50 CDAA CCOc1cc(C)ccc1CNC(=O)[C@H]1C[C@@H]1C(=O)O 192983120 CASVDKVHDKCTRG-RYUDHWBXSA-N 277.320 1.731 0 50 CDAA CS(=O)(=O)CC1(Cn2ccc(=O)c3ccccc32)CC1 678198554 IOHXKFSCJSAODK-UHFFFAOYSA-N 291.372 1.826 0 50 CDAA C[C@@]1(CO)C[C@H](O)CN1C(=O)Nc1ccccc1F 585137952 CQVBBIVWSZRUGR-ZANVPECISA-N 268.288 1.175 0 50 CDAA O=C1COC(=O)N1CC(=O)N1CCC[C@H]2CCCC[C@H]21 585133071 QUKUEGMNSYNKBL-GHMZBOCLSA-N 280.324 1.146 0 50 CDAA C=CC(=O)NCC1(C(=O)OC(C)(C)C)CCOCC1 585124664 LVDIRTCZCVPZOI-UHFFFAOYSA-N 269.341 1.427 0 50 CDAA Cc1cc(C)cc(C[C@H](C)NC(=O)[C@@H]2C[C@@H]2C(N)=O)c1 585129698 SAYNLOIBTAIFAF-FPMFFAJLSA-N 274.364 1.472 0 50 CDAA CN(C)C[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 732804302 VTNVUMBBXYCWSD-LLVKDONJSA-N 259.357 1.736 0 50 CDAA COCc1ccc(CNc2nc(N)[nH]c3ncnc2-3)cc1 746429881 WLWWLGTZUXJVQG-UHFFFAOYSA-N 284.323 1.645 0 50 CDAA Cn1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cn1 194919753 UPNNYWUNOXBPOB-UONOGXRCSA-N 288.326 1.915 0 50 CDAA CC(=O)N[C@H]1CCCN([C@H](CC(C)C)C(=O)O)C1 652389865 KMOLITRUBSCZCG-NWDGAFQWSA-N 256.346 1.086 0 50 CDAA Cc1ccc(S(=O)(=O)NCCN)cc1C(F)(F)F 195544432 CVRJVRONKSTUHN-UHFFFAOYSA-N 282.287 1.251 0 50 CDAA CC(C)(C)n1nnc(COc2cccn3ccnc23)n1 655690346 MLIYKEWTTQMNCX-UHFFFAOYSA-N 272.312 1.655 0 50 CDAA Cc1nc(N(CCO)C2CCC2)c2cnn(C)c2n1 784008029 JCKVHKQZJRHACP-UHFFFAOYSA-N 261.329 1.023 0 50 CDAA CCN(CC)C(=O)C[C@@H](N1CCOCC1)C(F)(F)F 1615586702 QHWZOVROKBEAKA-SNVBAGLBSA-N 282.306 1.508 0 50 CDAA Cn1cc(-c2ccc(C(=O)NC[C@H]3CCOC3)o2)cn1 1615590227 KLEIMEAICLSJSQ-SNVBAGLBSA-N 275.308 1.446 0 50 CDAA O=C1OCC[C@@H]1NC(=O)C(F)(F)c1ccc(Cl)cc1 1646072876 NRPUEVIOGWOOLV-VIFPVBQESA-N 289.665 1.864 0 50 CDAA CC(C)Oc1cc(NC[C@@H]2CCCCN2C)nc(N)n1 1506418568 ZYUGCNAAGIAJTD-NSHDSACASA-N 279.388 1.742 0 50 CDAA Cc1nn(C)c(C)c1CN(C)c1nnc2ccccn12 1506431256 GYROZQJBDNMXIF-UHFFFAOYSA-N 270.340 1.716 0 50 CDAA CCC[C@]1(CO)CN(Cc2cccnc2C)CC[C@@H]1O 1529158797 MGWKGVOIMIJQNP-JKSUJKDBSA-N 278.396 1.735 0 50 CDAA CC[C@@H](Nc1nccnc1N(C)C)c1ccnn1C 1529138643 HEIYFJDTUDVQRN-SNVBAGLBSA-N 260.345 1.839 0 50 CDAA CC1(C)C[C@H](NC(=O)C2(S(C)(=O)=O)CCC2)CCO1 408108610 SMKFYVNJVPWKJD-SNVBAGLBSA-N 289.397 1.028 0 50 CDAA COc1ccc(N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1 2879388 HVSXPSAJGMIJDL-GFCCVEGCSA-N 262.309 1.643 0 50 CDAA OC1(CNCc2ccccc2Cl)CCOCC1 112716995 FOEOBBZKBKTPLE-UHFFFAOYSA-N 255.745 1.971 0 50 CDAA COc1cc(CNC2CCN(C)CC2)cc(OC)c1 16663241 PRZRZTXSOFKCNJ-UHFFFAOYSA-N 264.369 1.888 0 50 CDAA COC(=O)C1(N)CCN(C(=O)OCc2ccccc2)CC1 34316242 PLQPYSJTFRDBOT-UHFFFAOYSA-N 292.335 1.290 0 50 CDAA in-vitro CN(Cc1nc2c(s1)CCCC2)c1n[nH]c(=N)s1 1857674377 FRJVAFPHUKSORY-UHFFFAOYSA-N 281.410 1.922 0 50 CDAA CCN(CCOC)c1nnc([C@H](N)c2ccccc2)o1 1772709156 IDDTVQYXGWNHMA-GFCCVEGCSA-N 276.340 1.590 0 50 CDAA O=C(CCc1cc(Cl)no1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775980247 WEDRLYQZJOSLQK-MYJAWHEDSA-N 284.743 1.490 0 50 CDAA COC(=O)c1ccc(OC[C@@H](O)CNC2CCCC2)cc1 5068359 KRVPGTVVOMNKKV-AWEZNQCLSA-N 293.363 1.745 0 50 CDAA C[C@H](C(=O)NCCc1cnccn1)n1cnc2ccccc21 19952045 JWFRSDFNHPZOLV-GFCCVEGCSA-N 295.346 1.746 0 50 CDAA COc1ccc(NC(=O)N[C@H]2CCOC2)cc1OC 159292204 CLRJNRLDDBEREQ-JTQLQIEISA-N 266.297 1.614 0 50 CDAA CCCNC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O 4335119 ZVZWEXWAZSQEFV-CYBMUJFWSA-N 275.352 1.952 0 50 CDAA Cc1cc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)no1 333610291 XXTJXEVVNLFFPV-UKJIMTQDSA-N 272.304 1.680 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)CCc2ccccc2F)CCO1 238193622 FIUFWEMFKDIQAO-GFCCVEGCSA-N 295.310 1.460 0 50 CDAA COCCC1(CNC(=O)[C@@]2(C)CCC(=O)NC2)CCCC1 241961408 USGLLKNHNAXRNR-HNNXBMFYSA-N 296.411 1.616 0 50 CDAA Cc1nnc(N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)o1 248049808 WRUVRQZNWFRLAA-STQMWFEESA-N 262.357 1.689 0 50 CDAA NC[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F 139842403 IOUYHTQXIPFYKF-STQMWFEESA-N 266.316 1.942 0 50 CDAA in-vitro C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)C[C@@H](C)N1 153203432 SZEGJJJHPAEWNQ-CHWSQXEVSA-N 284.363 1.695 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCO2 262097860 IREWMEQXJUFADZ-NSHDSACASA-N 291.303 1.424 0 50 CDAA Cc1cc(CNC(=O)N2C[C@@H](C)C[C@@H](C(=O)O)C2)ccn1 263161991 GGGGWNVFNSPNFY-GXFFZTMASA-N 291.351 1.642 0 50 CDAA Cc1ccc(S(=O)(=O)NCc2ccc(CCO)cc2)o1 908270334 WJECCIAGESSSPS-UHFFFAOYSA-N 295.360 1.601 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C(=O)C=C1CCC(C)CC1 818383175 MNTCLGDNOSVDRG-INSVYWFGSA-N 294.395 1.616 0 50 CDAA COc1nnc(CN2CCNC(=O)c3ccccc32)s1 930173719 LLLCKNMYTQWPFY-UHFFFAOYSA-N 290.348 1.297 0 50 CDAA C[C@H](C(=O)N1CCOC[C@@H]1CC(=O)O)c1ccccc1 235443722 LTGJBSNVBCHCRV-AAEUAGOBSA-N 277.320 1.492 0 50 CDAA CNC1(C(=O)NC[C@H](O)c2ccc(F)cc2)CCC1 864092664 SEPMHTHSCATZBM-LBPRGKRZSA-N 266.316 1.117 0 50 CDAA CC[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)C[C@@H](C)O1 236953629 FSENOTCKPFGQDB-BNOWGMLFSA-N 262.353 1.712 0 50 CDAA Cc1ccc(C(=O)O)c(N2CCN(c3ccncc3)CC2)n1 1875299068 XVUGJXSJWMQXHI-UHFFFAOYSA-N 298.346 1.810 0 50 CDAA Cn1ccc2[nH]c(C(=O)N3O[C@H]4C=C[C@H]3CC4)cc21 1875284943 WNNFDOAMBCRZBI-UWVGGRQHSA-N 257.293 1.981 0 50 CDAA Oc1nc(O)c2c(n1)CN(CCc1cccs1)C2 1875299595 PPCYOFHFVNFRJG-UHFFFAOYSA-N 263.322 1.508 0 50 CDAA CN(C(=O)c1cnn(CCN)c1)C1CCCCCC1 1875291801 LYMWJTMUCMGPJR-UHFFFAOYSA-N 264.373 1.637 0 50 CDAA C[C@@H](NC(=O)c1cc2ncccc2s1)c1nc[nH]n1 1875300577 ITYDLWSCXIUDQC-SSDOTTSWSA-N 273.321 1.905 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@H]1CCc2cc(F)ccc2O1 1875376892 MGAXKRNBUBKODH-RDFMZFSFSA-N 292.354 1.753 0 50 CDAA C=CC(=O)N[C@H](CCN1CCOCC1)c1ccc(F)cc1 1875375786 IICHFKNLPVCXEX-OAHLLOKOSA-N 292.354 1.891 0 50 CDAA O=C(Nc1cnn(CC2CC2)c1)N1C[C@@H](O)C2(CC2)C1 1772923295 YFONCEQCADAJEG-GFCCVEGCSA-N 276.340 1.282 0 50 CDAA Cc1nc2c(C(=O)N[C@H]3C[C@@H](N)C34CCC4)ccnc2[nH]1 1775961357 VEMUOABLJMIZER-MNOVXSKESA-N 285.351 1.266 0 50 CDAA CN(C)C(=O)NCc1cn(-c2cccc(F)c2)nn1 899725995 WPOKTTKAFVIIHL-UHFFFAOYSA-N 263.276 1.178 0 50 CDAA COC[C@]1(C(=O)Nc2cc(C)cc(F)c2)CCNC1 261591959 MFFYIQPDCYNODU-AWEZNQCLSA-N 266.316 1.699 0 50 CDAA O=C1CC2(CCN(c3ccc(Cl)nn3)CC2)CN1 67855554 USOKOOZFNDVBML-UHFFFAOYSA-N 266.732 1.237 0 50 CDAA O=C(CCc1cn[nH]c1)NCc1cccc(CO)c1 534578188 TXFDCCLKNBBCNQ-UHFFFAOYSA-N 259.309 1.151 0 50 CDAA C[C@@H](NC1=NC[C@H]2CSCCN12)c1ccns1 2325771455 YKSHJLTYYPDCGK-BDAKNGLRSA-N 268.411 1.581 0 50 CDAA CCC[C@@](C)(CO)NC(=O)c1cnc2[nH]ccc2n1 2325799038 OVLDWMGBMCFTKI-ZDUSSCGKSA-N 262.313 1.239 0 50 CDAA CCn1cnnc1[C@H]1C[C@H]1C(=O)Nc1ncc(C2CC2)o1 2325804627 AKHUGUGBLDNFPE-VHSXEESVSA-N 287.323 1.906 0 50 CDAA Fc1cnc(N2CCOCC2)nc1Nc1ccccn1 187097 TWHVXOGBIYMNOH-UHFFFAOYSA-N 275.287 1.591 0 50 CDAA O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1CCCO1 987655 XJCBOLFPMYQFHX-BYPYZUCNSA-N 267.232 1.674 0 50 CDAA O=C(O)CCSc1nnc(SCCC(=O)O)s1 2817934 NQNRYGGKRLWMRV-UHFFFAOYSA-N 294.379 1.672 0 50 CDAA CCOc1ccc(N2C(=O)C[C@@H](N3CCCC3)C2=O)cc1 4878332 YGXQBALCQCKHAB-CQSZACIVSA-N 288.347 1.813 0 50 CDAA O=C(NCc1ccccn1)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 6698582 RAQKQVTUZDQJHY-DZYMPVBWSA-N 288.347 1.835 0 50 CDAA COCCCCN(C)C(=O)Cc1cccc(OC)n1 416336503 ALWQVYANLFTKCL-UHFFFAOYSA-N 266.341 1.518 0 50 CDAA Cn1cc(CN2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cn1 246785345 IDRUALTXRWZJMC-UPJWGTAASA-N 263.341 1.638 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2cccnc2)[C@H]2C=C[C@H]1C2 100306204 MEGKOTWHALFPHX-QSFUFRPTSA-N 258.277 1.543 0 50 CDAA CN(C)NCc1ccccc1OCCCN1CCOCC1 67613139 GTZVFINWTHLAFT-UHFFFAOYSA-N 293.411 1.354 0 50 CDAA C[C@H](C1CCN(C(=O)c2nc[nH]n2)CC1)N1CCCC1 67674131 AICDGTYSTZZOCF-LLVKDONJSA-N 277.372 1.141 0 50 CDAA CC(C)CCCC(=O)N1CCN2CCN(C)C[C@@H]2C1 65406053 ZPPOREOKYFFXEZ-CQSZACIVSA-N 267.417 1.271 0 50 CDAA CN(C)c1ncc(NC(=O)N2CCCSCC2)cn1 253398525 WVMBGHDKHGUWSJ-UHFFFAOYSA-N 281.385 1.513 0 50 CDAA CC(C)n1c([C@H]2OCC[C@H]2C)nn(Cc2ccon2)c1=O 328620735 ABKBBKVQACUIKH-PWSUYJOCSA-N 292.339 1.760 0 50 CDAA Cc1cc(F)c(C(=O)N2CCNC[C@@H]2C)cc1F 125434404 AJNAEPRPGXPSDB-VIFPVBQESA-N 254.280 1.707 0 50 CDAA O=c1[nH]cc(-c2cccc(Br)c2)c(=O)[nH]1 332383 BSHIPMGKEWWNII-UHFFFAOYSA-N 267.082 1.493 0 50 CDAA COCCOC(=O)c1ccccc1C(=O)OCCOC 1577177 HSUIVCLOAAJSRE-UHFFFAOYSA-N 282.292 1.293 0 50 CDAA biogenic,in-vitro O=C(NC[C@H](CO)CC1CCCCC1)c1cn[nH]c1 252497371 QFAQIFSTQJTHID-GFCCVEGCSA-N 265.357 1.718 0 50 CDAA C[C@H]1CCCN(Cc2cnc3cnccn23)[C@@H]1C(=O)O 424412107 CJXCONCIQLWDGE-GWCFXTLKSA-N 274.324 1.414 0 50 CDAA CCOC[C@@H]1CCCN(C(=O)[C@H]2CCCC(O)=N2)C1 328764102 GATVOPJOQAGSPS-VXGBXAGGSA-N 268.357 1.771 0 50 CDAA OC[C@H]1CCN(Cc2c(Cl)cncc2Cl)C[C@@H]1O 72166794 PRZSPUXYIZPJMF-PELKAZGASA-N 291.178 1.564 0 50 CDAA CC(=O)c1cc(CN2CCS(=O)(=O)CC2)cs1 215036435 CJVSTNSUGQJWAM-UHFFFAOYSA-N 273.379 1.181 0 50 CDAA CC[C@H]1C(=O)N(c2ncn(C(C)(C)C)n2)C(=O)N1C1CC1 328595403 UISGQOFUHDMFLT-JTQLQIEISA-N 291.355 1.743 0 50 CDAA CCC[C@H](C)CN1CCO[C@H](CN(C)CC(=N)O)C1 328654772 XULYPODCHFMBOY-QWHCGFSZSA-N 271.405 1.590 0 50 CDAA CN1CCN(C(=O)CCc2ccccc2)C[C@@H]1c1ncc[nH]1 328625034 KHHUJPMYKWPMNY-OAHLLOKOSA-N 298.390 1.858 0 50 CDAA Cc1nnc(CN2CCCC[C@H]2CCN2CCOCC2)o1 72134411 SFDGLZBQMNQFQG-AWEZNQCLSA-N 294.399 1.455 0 50 CDAA Cc1cc(N2CCC(c3ncc[nH]3)CC2)nc(N)n1 77486970 XBRGOISXZJROFP-UHFFFAOYSA-N 258.329 1.474 0 50 CDAA CCOC(=O)c1ccc2nnc(-c3ccno3)n2c1 34926221 SCVIBRVLUDUBRH-UHFFFAOYSA-N 258.237 1.561 0 50 CDAA CCc1ocnc1C(=O)N1CCOC[C@@H]1CCOC 330920926 PTAYSGGPJGSIMV-JTQLQIEISA-N 268.313 1.115 0 50 CDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NC3CC3)ccc21 77565265 RXVQSDOROACLEB-UHFFFAOYSA-N 289.335 1.258 0 50 CDAA COC[C@@H]1CCN(C(=O)c2cc(=O)cc(C)o2)C1 219102467 ROPKFDYZDLPSRB-SNVBAGLBSA-N 251.282 1.057 0 50 CDAA CC(C)(C)c1noc(CN2C[C@@H](F)C[C@H]2CO)n1 364626147 WAKLMJNKAXGARV-IUCAKERBSA-N 257.309 1.272 0 50 CDAA CC(C)(C)CC(C)(C)NC(=O)NC[C@H]1CNCCOC1 72156061 ZREBMEHVHSHLLC-GFCCVEGCSA-N 285.432 1.736 0 50 CDAA C[S@@](=O)c1nncn1CCN1CCCc2ccccc21 154251917 IXRWUENHPQDAER-FQEVSTJZSA-N 290.392 1.468 0 50 CDAA Cn1nccc1[C@H]1CCCCN1CCCC(=O)O 261688166 CDSUTKNNHICQSU-GFCCVEGCSA-N 251.330 1.812 0 50 CDAA O=C1CCC[C@@H](CC(=O)N2CC(c3ccccc3F)C2)N1 335817971 IFZMOIXTEKDNCG-LBPRGKRZSA-N 290.338 1.810 0 50 CDAA N[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)C1 333130642 JOERWKUVVVNSEK-NSHDSACASA-N 290.367 1.968 0 50 CDAA COc1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)ccn1 77379543 JEDKURHOTXWYBS-GFCCVEGCSA-N 286.335 1.833 0 50 CDAA O=C(Nc1ccc2n[nH]cc2c1)[C@H]1CCc2nccn2C1 373596837 OLWJWADVZILSLN-JTQLQIEISA-N 281.319 1.961 0 50 CDAA CC(C)CN1CCN(Cc2cncn2C)[C@H](C)C1=O 215040689 LUIZJEJBDRUSQM-GFCCVEGCSA-N 264.373 1.109 0 50 CDAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2C(=O)O)c1 237303976 QVWUXEQNNBUQTK-IHRRRGAJSA-N 289.331 1.874 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cccc(C(=O)O)n1)C2 217611393 WPRSJMRVAKPTHN-YABSGUDNSA-N 276.336 1.637 0 50 CDAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1CCCOC1 173187127 HPBWZHAPQRPMAU-GWCFXTLKSA-N 294.399 1.446 0 50 CDAA COc1cccc(C(=O)NCCO[C@@H]2CCCCO2)c1 521394322 RUTMYCYZIYFVOE-CQSZACIVSA-N 279.336 1.968 0 50 CDAA CCc1ccc(C(=O)N[C@H]2CCCNC2=O)s1 49499248 FDZZDWOWTHREPS-VIFPVBQESA-N 252.339 1.319 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1c[nH]nc1-c1ccccc1 284644585 MTOMJXGSMYMMGE-OLZOCXBDSA-N 288.326 1.474 0 50 CDAA CN(CC(=O)Nc1cccnc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 241644548 PRQQPRIPAUFXED-BPLDGKMQSA-N 289.379 1.765 0 50 CDAA CS(=O)(=O)N(c1ccc(Cl)cc1)S(C)(=O)=O 224921659 UFDODTCGRZIEID-UHFFFAOYSA-N 283.758 1.066 0 50 CDAA CCc1nc(C)sc1CNC(=O)Cn1nc(C)cc1N 223504432 LKGKRPKGHXXZAR-UHFFFAOYSA-N 293.396 1.417 0 50 CDAA COC[C@@H](NCc1nnc(C)s1)C1CCOCC1 525857509 HGRXSHCXJNMWCB-LLVKDONJSA-N 271.386 1.378 0 50 CDAA Cc1[nH]nc(C(=O)NC2(CO)CCCC2)c1Cl 426498423 GYHBDLPHOSYCGD-UHFFFAOYSA-N 257.721 1.406 0 50 CDAA Cn1cc(Cl)cc1C(=O)NCC1(CO)CCCC1 135150416 NTUOTHCHPZSDDH-UHFFFAOYSA-N 270.760 1.961 0 50 CDAA Cc1ccccc1SCC(=O)N[C@H]1CCC(=O)N(C)C1 133308007 IMBZUNSFYSGDSL-LBPRGKRZSA-N 292.404 1.824 0 50 CDAA O=C(C[C@H]1CCCCO1)N[C@@H]1CCc2[nH]ncc2C1 176383451 XHYDCRCTLZDQSC-VXGBXAGGSA-N 263.341 1.342 0 50 CDAA Cc1cccc(CN2CCCn3nc(CO)cc3C2)n1 221421338 BDMQMNMGVOVUKE-UHFFFAOYSA-N 272.352 1.485 0 50 CDAA Cc1nc([C@H]2CCCN2C(=O)c2cn(C)nn2)cs1 288773372 BEONSPWNDFWXHP-LLVKDONJSA-N 277.353 1.557 0 50 CDAA Cc1noc(C)c1CCCNC(=O)CCCn1cncn1 84804965 WDXFWWJBKLIRLC-UHFFFAOYSA-N 291.355 1.412 0 50 CDAA CCOCCC(=O)N1CCC[C@H](Cn2ccnc2)C1 221219101 BMMJABQMBGTAII-CYBMUJFWSA-N 265.357 1.548 0 50 CDAA Cc1c(CNC(=O)N(C)CCC[C@@H]2CCCO2)cnn1C 426740309 AUVFZTZUYYWLJX-CQSZACIVSA-N 294.399 1.829 0 50 CDAA O=C(NCc1ccccn1)NC1CCN(CC2CC2)CC1 193596250 PKBKVQAYTCQUQZ-UHFFFAOYSA-N 288.395 1.755 0 50 CDAA Cc1cccc(OCCC(=O)N2CC[C@@H](CN)C2)c1C 178587532 XSNYYYDFVITBFE-AWEZNQCLSA-N 276.380 1.880 0 50 CDAA O=C(C1CCCC1)N1CCC2(CC1)OCCC[C@H]2O 91594902 SSHFFQRYWGEBFG-CYBMUJFWSA-N 267.369 1.709 0 50 CDAA CC1(C)CN(C(=O)Cc2cccnc2)C[C@@]1(O)C1CC1 91364511 QEFMDRAGPGIJQP-MRXNPFEDSA-N 274.364 1.634 0 50 CDAA CCOCCCNC(=O)c1cc2nc(C)cc(C)n2n1 97757899 RYLANAKVWREZDY-UHFFFAOYSA-N 276.340 1.503 0 50 CDAA O=C(c1ccnc(-c2ccncc2)c1)N1CCOCC1 97436765 GTCOKQPTIIECLF-UHFFFAOYSA-N 269.304 1.616 0 50 CDAA COCCC[C@@]1(CO)CCCN(C(=O)C(C)(C)OC)C1 92046365 JLJRIWRTWOKVFZ-HNNXBMFYSA-N 287.400 1.439 0 50 CDAA CC[C@@H](NC(=O)C(C)(C)N1CCCC1)c1ccnn1C 426723891 OISQUUGOMUXQMR-GFCCVEGCSA-N 278.400 1.862 0 50 CDAA Cc1ccn2ncc(C(=O)NCc3snnc3C)c2n1 292324235 JJHPVGCIZSCYMO-UHFFFAOYSA-N 288.336 1.128 0 50 CDAA CN1CCCC[C@@H]1CCC(=O)NCCCn1cccn1 95363687 SDDKHGXDOGMLFL-CQSZACIVSA-N 278.400 1.654 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239403085 RMGIGDUVERBGPU-WMESBKTJSA-N 299.326 1.618 0 50 CDAA COc1cccc([C@H]2C[C@@H]2C(=O)N2CCC[C@@H]2C(=O)O)c1 237327771 QVWUXEQNNBUQTK-HZSPNIEDSA-N 289.331 1.874 0 50 CDAA CO[C@H]1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)C1 336546594 CATZXWDRCBPNPJ-NSHDSACASA-N 286.331 1.399 0 50 CDAA CCn1cnnc1[C@H]1CCCN(c2nccc(OC)n2)C1 299571648 GYQAKINVAJWYFY-NSHDSACASA-N 288.355 1.481 0 50 CDAA COc1ccc2c(c1)CCN(C(=O)[C@H]1CC(C)=NO1)C2 244773792 PGQOALIYUAQEOA-CQSZACIVSA-N 274.320 1.745 0 50 CDAA CCN(CC)[C@@H]1CCN(CCC(=O)Nc2cccnc2)C1 244882462 XSELNYVTNQYGLL-OAHLLOKOSA-N 290.411 1.826 0 50 CDAA COC(=O)[C@H]1[C@@H]2[C@H]3[C@@H]4[C@@H]([C@H]1C(=O)OC)[C@@H]1[C@H]2[C@@]3(C)[C@]41C 253595378 CPWDDTDQGFHJFB-FYZSYFRZSA-N 276.332 1.343 0 50 CDAA COC[C@H]1CCN(CC(=O)NCc2ccccc2C)C1 252503901 VHAUNBPEIBGVRH-AWEZNQCLSA-N 276.380 1.580 0 50 CDAA CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1cc[nH]c(=O)c1 184824021 NCHOLGHJIJGCBA-CHWSQXEVSA-N 278.352 1.698 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)Cc2c(C)n[nH]c2C)[nH]1 534592825 QPFPSCRUMDEOIT-SNVBAGLBSA-N 261.329 1.478 0 50 CDAA O=C1c2nnc(O)n2CCN1Cc1cccc(Cl)c1 1775973115 LEGOTGDVJXXKAP-UHFFFAOYSA-N 278.699 1.293 0 50 CDAA O[C@H]1CC[C@H](Nc2cc([C@@H]3CCOC3)ncn2)CC1 299775941 LOMADNVECVMJNB-IJLUTSLNSA-N 263.341 1.696 0 50 CDAA CC(C)(C)c1cc(CNC(=O)c2ccc3nnnn3c2)[nH]n1 299779087 SJELPKDPDGSVMU-UHFFFAOYSA-N 299.338 1.075 0 50 CDAA CN(C)CC[C@H](NC(=O)C1(CO)CC1)c1ccccc1 299794156 JXJJZRFKVMAEKV-AWEZNQCLSA-N 276.380 1.568 0 50 CDAA CS(=O)(=O)c1cnn(-c2ccc(C=O)cc2F)c1 725252762 WZEZYTRXHDSXSK-UHFFFAOYSA-N 268.269 1.227 0 50 CDAA CCCc1cnc(N[C@@H]2CC=CC[C@H]2C(N)=O)nc1 823012032 GNHPEJKLQJYOKM-VXGBXAGGSA-N 260.341 1.661 0 50 CDAA CSc1ncc(CNC(=O)c2ccncc2F)n1C 824959638 SQQKWZYVFKGXCI-UHFFFAOYSA-N 280.328 1.606 0 50 CDAA CN=c1[nH]c(C(=O)NCc2cnn(C(C)C)c2)cs1 584900448 OLKHHEIRMMCWCZ-UHFFFAOYSA-N 279.369 1.314 0 50 CDAA COCCCC1CCN(S(=O)(=O)N(C)C(C)C)CC1 670464122 MRVGKPXNEGGOEG-UHFFFAOYSA-N 292.445 1.710 0 50 CDAA Cc1ncc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)cn1 584902267 LKRBGSRBQBLZDN-LLVKDONJSA-N 290.367 1.162 0 50 CDAA Cc1ncn(C)c1C(=O)N(C)Cc1cnc2ccccn12 584898736 LSBORFBPVXYTNU-UHFFFAOYSA-N 283.335 1.648 0 50 CDAA CO[C@@H](C)CCNC(=O)N1CC(c2ccncc2)C1 670437083 DIWOAVLBVTYABI-NSHDSACASA-N 263.341 1.615 0 50 CDAA COC(=O)c1ccc(Br)c(C(N)=O)c1 675050641 NRSBCCULYDVTJQ-UHFFFAOYSA-N 258.071 1.335 0 50 CDAA C[C@@H]1[C@H](N(C)C)CCN1C(=O)c1ccc(C(=O)O)cc1F 685944980 MNNJDHQNAFWZSQ-NOZJJQNGSA-N 294.326 1.689 0 50 CDAA COc1ccc2c(n1)N(C)CCN2C(=O)CC1CC1 1352809967 NCHVMVPHOFFOKK-UHFFFAOYSA-N 261.325 1.673 0 50 CDAA C=CC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 1353215721 ZUANFEWQXJIJQN-UHFFFAOYSA-N 270.336 1.393 0 50 CDAA CNC(=O)CN1CCC(CNC(=O)CC2CCCC2)CC1 952969893 KQMBGRKVIUEEPV-UHFFFAOYSA-N 295.427 1.141 0 50 CDAA Cc1nnsc1CN(C)CCn1cc(Cl)cn1 244817075 STZVONSIRISWEP-UHFFFAOYSA-N 271.777 1.828 0 50 CDAA C[C@@]1(NS(=O)(=O)c2ccccc2)CCO[C@H]1C1CC1 273030268 BYOYVMCOOONVPK-UONOGXRCSA-N 281.377 1.923 0 50 CDAA C[C@H](O)C(=O)NCc1nccn1CCc1ccccc1 270790114 LSZLLRYWARXXSK-LBPRGKRZSA-N 273.336 1.123 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CCO[C@@H]1C 408473952 VEGCAHHGZDOAJZ-VOAKCMCISA-N 293.367 1.274 0 50 CDAA O=C(Cc1csc(-c2ccccn2)n1)N[C@H]1C[C@@H](O)C1 408522848 MPXYCVXFUQWRBR-JGZJWPJOSA-N 289.360 1.387 0 50 CDAA COc1ccc(Cl)cc1CSC[C@H](O)CO 86660492 OYUQXEMIZMEWFC-SNVBAGLBSA-N 262.758 1.935 0 50 CDAA COC1([C@@H](CO)n2cc(C3CCC3)nn2)CCC1 899723551 AGESTYXIQQECEA-GFCCVEGCSA-N 251.330 1.648 0 50 CDAA CCC(O)(CC)CNc1ncnc2c1NC(=O)CS2 170087371 WMLUTLCCNUJYHS-UHFFFAOYSA-N 282.369 1.484 0 50 CDAA COC(=O)CCC(C)(C)NC(=O)CC(F)(F)F 170626778 SDBOKRNJCDNDAJ-UHFFFAOYSA-N 255.236 1.787 0 50 CDAA CC(C)c1ocnc1C(=O)NS(=O)(=O)c1cccnc1 170625357 AOYPMKQEUAVNPD-UHFFFAOYSA-N 295.320 1.312 0 50 CDAA COc1ccccc1CCNC(=O)[C@]1(OC)CCOC1 170608124 PPRHMGVCGGXLBU-HNNXBMFYSA-N 279.336 1.159 0 50 CDAA O=C1NCCCC[C@@H]1Sc1nc2ncncc2[nH]1 186767573 UBPGOYCLAGQYQW-QMMMGPOBSA-N 263.326 1.114 0 50 CDAA Cc1nc(CC(=O)N[C@@H](C)c2cnn(C(C)C)c2)n[nH]1 668645566 OFEKJCVXUVXTOO-VIFPVBQESA-N 276.344 1.310 0 50 CDAA C[C@H]1CC(F)(F)CCN1S(=O)(=O)CCn1ccnc1 641632232 JIMBIZZYAPAJSN-JTQLQIEISA-N 293.339 1.333 0 50 CDAA CC(C)(O)c1ccc(CNCC2OCCCO2)cc1 585137009 CRSUAQYYLMGWQD-UHFFFAOYSA-N 265.353 1.767 0 50 CDAA Cc1cc(Cn2cc(S(=O)(=O)N(C)C)cn2)cs1 585118965 KOADETZETMIYPU-UHFFFAOYSA-N 285.394 1.552 0 50 CDAA C/C=C/C=C/CN1CCN(C)[C@@H](c2nc(C)no2)C1 585117665 QNWZHMQKASHBJO-FCTYEHLBSA-N 262.357 1.799 0 50 CDAA N=c1nc(N2CCO[C@H](C3CC3)C2)c2c([nH]1)CCCC2 645214329 BFTKKORSQLYPRR-ZDUSSCGKSA-N 274.368 1.383 0 50 CDAA CCc1csc(=O)n1CC(=O)c1ccnn1C 655511112 YJASETZKPAKIPF-UHFFFAOYSA-N 251.311 1.089 0 50 CDAA Cc1ncc(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O)c(C)n1 659244368 DDWZXOQQVHTKSS-YGNMPJRFSA-N 289.335 1.323 0 50 CDAA C[C@H](CC(=O)O)CC(=O)N1CCOC[C@@H]1CC(F)F 1604106056 XEAVFVJYHKQSDO-IUCAKERBSA-N 279.283 1.370 0 50 CDAA O=C(O)c1n[nH]c2c1CN(Cc1ccncc1F)CC2 1608994125 LASLFFXNULTFBO-UHFFFAOYSA-N 276.271 1.200 0 50 CDAA O=C(Cn1nccn1)N1Cc2cnn(-c3ccccc3)c2C1 1615566428 DWEVQPRGJLLXEC-UHFFFAOYSA-N 294.318 1.006 0 50 CDAA C[C@@H](c1ccccn1)N(C)Cc1nc2ncccn2n1 1506417516 MHUJFLWSVPKLFV-NSHDSACASA-N 268.324 1.712 0 50 CDAA O[C@H](COc1ccc(Cl)cc1)CSc1ncn[nH]1 16662123 MVMZRYAZTGSKHX-SECBINFHSA-N 285.756 1.990 0 50 CDAA CCc1cc(NCCc2ncc[nH]2)nc(N(C)C)n1 1704297224 KEXSPDCDLLDXAK-UHFFFAOYSA-N 260.345 1.483 0 50 CDAA CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1576246 BPYLRGKEIUPMRJ-MRVPVSSYSA-N 261.318 1.779 0 50 CDAA in-vitro C[C@@H]1CCCN(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)C1 110678600 HLGYXICJKRWNSS-CHWSQXEVSA-N 288.413 1.076 0 50 CDAA Cc1ccc(C(=O)N(CCC(=O)O)C2CCOCC2)o1 119020369 AFUKXPJCXCAJJT-UHFFFAOYSA-N 281.308 1.684 0 50 CDAA Nc1ncc(Cl)cc1S(=O)(=O)NC1CCC1 332467443 QUWINJNIXAIGPQ-UHFFFAOYSA-N 261.734 1.148 0 50 CDAA CO[C@]1(C)C[C@H](N(C)C(=O)CC2(N)CCC2)C1(C)C 237269764 NTBDWGSMLITACS-SMDDNHRTSA-N 268.401 1.920 0 50 CDAA O=C(O)CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 134434641 RPXHKMVKRJKFIF-BQBZGAKWSA-N 253.220 1.556 0 50 CDAA CC(=O)c1cnc(NCC[C@@H]2CCCN2C)nc1C 1704325071 CQAGAYXUTSSZPS-LBPRGKRZSA-N 262.357 1.884 0 50 CDAA CNCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704350734 DAZHLGWJTGOBKX-CJNGLKHVSA-N 299.374 1.128 0 50 CDAA C[C@@H]1CC[C@@H](CCC(=O)N[C@H](C(=O)O)C(C)(C)C)O1 252477197 JXGIDYPBFOWVJV-JFGNBEQYSA-N 271.357 1.950 0 50 CDAA CS(=O)(=O)CC1(Cn2cc(Br)cn2)CC1 678063849 ZHPGAGIDISSOLY-UHFFFAOYSA-N 293.186 1.470 0 50 CDAA O=C(O)[C@@H]1C[C@H](O)CN1C[C@@H]1CCOc2ccccc21 228614676 OTUINDVYUNRSFM-GVXVVHGQSA-N 277.320 1.073 0 50 CDAA O=C(NCCCNC(=O)C(F)(F)Cl)C(F)(F)Cl 5479805 GXICZRVWHOCZOO-UHFFFAOYSA-N 299.051 1.272 0 50 CDAA Cc1ccc(C)c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169304301 VQWFIKFFDQRBPN-SYQHCUMBSA-N 287.315 1.896 0 50 CDAA Cc1cc(F)ccc1CN1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857731626 MQPFELSNXAYBPN-ZBFHGGJFSA-N 290.338 1.667 0 50 CDAA CCn1nc(C)c(S(=O)(=O)Nc2ccc(F)cn2)c1C 266338932 MFXXHGBOPIOFSG-UHFFFAOYSA-N 298.343 1.855 0 50 CDAA CO[C@@H](CNC(=O)c1ccnc(C(=O)O)c1)C(C)(C)C 237079722 GRUWBFCQEPKPLP-NSHDSACASA-N 280.324 1.571 0 50 CDAA COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)C2)cc1Cl 128803434 UVCKYZZGIYOJNK-SNVBAGLBSA-N 296.754 1.443 0 50 CDAA CCN1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CC1=O 241969508 UWUQOWHVNWBZBF-UHFFFAOYSA-N 289.310 1.498 0 50 CDAA COC[C@H]1CCN1C(=O)CNC(=O)c1ccc(C)c(C)c1 354029589 UHJXSLKJIQYYLC-CQSZACIVSA-N 290.363 1.281 0 50 CDAA O=C(c1cnn(-c2ccc(F)cc2)n1)N1CCC[C@@H]1CO 153859400 SMXIMNQBHTZBAF-GFCCVEGCSA-N 290.298 1.003 0 50 CDAA Cc1ccc(-n2cc(CN3CCOCC3)nn2)cc1 585091476 DXEYETRRUFFQFZ-UHFFFAOYSA-N 258.325 1.408 0 50 CDAA O=Cc1ccc(F)c(-c2noc(CN3CCOCC3)n2)c1 34924925 SYCRKWQCTSOLOI-UHFFFAOYSA-N 291.282 1.520 0 50 CDAA in-vitro O=C(O)[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 36258857 UCCKPUHHDIGICT-LBPRGKRZSA-N 297.376 1.257 0 50 CDAA CCS(=O)(=O)NCCN1C[C@H](C)Oc2ccc(C)cc21 267055500 DCVVBKWKHIYDMI-LBPRGKRZSA-N 298.408 1.522 0 50 CDAA C[C@@H]1CCN[C@H](C(=O)N2CCC(CC(=O)O)CC2)C1 127418591 AGHFBRLPQUFSJB-PWSUYJOCSA-N 268.357 1.088 0 50 CDAA CNC(=O)CCN(C)c1nnc(-c2ccc(O)cc2)s1 871100763 AVLQXXRDTAAPNZ-UHFFFAOYSA-N 292.364 1.483 0 50 CDAA Cc1oncc1CNC(=O)Cn1cnc(Br)c1 1875286662 ZXOIHCLQODLMSB-UHFFFAOYSA-N 299.128 1.258 0 50 CDAA O=C(NC12CC(CO)(C1)C2)[C@]1(F)C[C@H]1c1ccccc1 1875404408 HWBUUPITGMOGEF-MFNGEMCRSA-N 275.323 1.913 0 50 CDAA COc1cc(C)nc(N2N=C(C3CCOCC3)CC2=O)n1 899351370 IEJNHRWHXBRKBQ-UHFFFAOYSA-N 290.323 1.313 0 50 CDAA COc1ccc(CNCCN2CCOCC2)cc1Cl 20967704 NYILZHGYHZDXGO-UHFFFAOYSA-N 284.787 1.770 0 50 CDAA Cc1ccc(C(=O)N(CC(=O)O)C2CCOCC2)n1C 141784085 ZVELYJSIWZOJKB-UHFFFAOYSA-N 280.324 1.039 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)CC1CCOCC1 567988933 SVEPMVLLWHHQFZ-IJLUTSLNSA-N 267.325 1.267 0 50 CDAA CC(C)OC1CN(C(=O)CCC(=O)OC(C)(C)C)C1 600859372 JBDSHATUWYFKJM-UHFFFAOYSA-N 271.357 1.744 0 50 CDAA OC[C@H]1CN(Cc2ccc(F)cc2F)CC[C@H]1O 335650924 WJMXMKWKADFLPF-ZWNOBZJWSA-N 257.280 1.140 0 50 CDAA CSCCN1CCN(C(=O)c2c(O)cccc2F)CC1 584884404 SYCNAIWBYSMEBR-UHFFFAOYSA-N 298.383 1.652 0 50 CDAA COCC1(C(=O)N2CCC[C@@](F)(CO)C2)CCC1 376567066 ZOXIPEAPFCTKTF-ZDUSSCGKSA-N 259.321 1.126 0 50 CDAA CCC[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 229816 PZZFOMONLVDIMT-SNVBAGLBSA-N 262.334 1.851 0 50 CDAA COc1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1Cl 2100557263 PVAJQIZBVFLBBQ-UHFFFAOYSA-N 294.742 1.970 0 50 CDAA C[C@H]1CC(CNCc2nn(C)c(=O)c3ccccc23)=NO1 2325803224 YYKMRMTYTUHGAM-JTQLQIEISA-N 286.335 1.188 0 50 CDAA O=C(N[C@@H]1CC[C@H]2C[C@]21CO)C1(c2cc[nH]n2)CCC1 2325806469 XMRGCJJCHJXXPP-RWSFTLGLSA-N 275.352 1.109 0 50 CDAA O=C(CC1CC1)N1CC(n2cc(-c3ccncc3)nn2)C1 2325822844 RPYJAZHFKRVHCN-UHFFFAOYSA-N 283.335 1.524 0 50 CDAA O=C1COc2ccc(C(=O)c3ccccc3)cc2CN1 29010 OMIAELUTBHIIHL-UHFFFAOYSA-N 267.284 1.926 0 50 CDAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCCC1 219214 UAYVYPXRSHVSSY-UHFFFAOYSA-N 297.358 1.969 0 50 CDAA Cc1ccc(N(CC(=O)NC2CC2)S(C)(=O)=O)cc1C 308638 FNEDDSPWTHKWEF-UHFFFAOYSA-N 296.392 1.348 0 50 CDAA O=C(O)[C@H](Cc1cnc[nH]1)NC(=S)Nc1ccccc1 2290622 VNJYWYZOAOWLIT-NSHDSACASA-N 290.348 1.392 0 50 CDAA CCn1ncc(C2=NO[C@H](C(=O)Nc3cccnc3)C2)c1C 3959020 YDVYGBJABYSGKJ-AWEZNQCLSA-N 299.334 1.738 0 50 CDAA Cc1c(CC(=O)O)c(=O)oc2cc(OCC(=O)O)ccc12 4042935 UWHMXDYANAZWJA-UHFFFAOYSA-N 292.243 1.192 0 50 CDAA biogenic CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 4383795 LEMKCOBNQSHOCX-SNVBAGLBSA-N 262.309 1.271 0 50 CDAA CCOc1ccc(-n2c(=O)[nH]cc(CC)c2=O)cc1 4543162 PTGVRKJRRJZQCJ-UHFFFAOYSA-N 260.293 1.487 0 50 CDAA O=C1C[C@@H](NC2CC2)C(=O)N1c1ccc(Cl)cc1 4653681 FOZCFVNDEUQBLJ-LLVKDONJSA-N 264.712 1.724 0 50 CDAA CNC(=O)C(=O)Nc1c(F)cc(F)cc1Br 4839478 WICYQXKNOPRCGN-UHFFFAOYSA-N 293.067 1.412 0 50 CDAA CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 6678417 JNEQDWYKRPFOQI-VXGBXAGGSA-N 260.337 1.954 0 50 CDAA CC(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 6741839 IOGCDRQJQCJQJA-UHFFFAOYSA-N 278.327 1.700 0 50 CDAA O=C(Cc1cnc2ccccc2c1)N1CCC[C@H]1CO 133139357 CNWCFMAFENJBFN-AWEZNQCLSA-N 270.332 1.761 0 50 CDAA Cn1cc(CNc2ncnc3oncc23)c(C(F)(F)F)n1 225504640 LPRHVGGMGRJGTE-UHFFFAOYSA-N 298.228 1.982 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cc(F)cc3nccnc23)C1 133431189 KNNJYNHLBAHSKQ-NSHDSACASA-N 288.326 1.593 0 50 CDAA CC(C)[C@H](NCC(=O)NC1CCCCCCC1)C(N)=O 65380954 CJKNXAXIZJJVSI-AWEZNQCLSA-N 283.416 1.315 0 50 CDAA CCCn1cc(CNC(=O)c2c(O)cccc2F)nn1 1363284678 HJKCEMDHBMBLTF-UHFFFAOYSA-N 278.287 1.463 0 50 CDAA CCOC(=O)[C@H](C)NC(=O)C1(c2ccccc2F)CC1 65423549 LORXFGBWNMJQKI-JTQLQIEISA-N 279.311 1.925 0 50 CDAA CCc1nnc(NC(=O)CNC(=O)C2CCCCC2)s1 21289125 YLUDGGSNVKNJJA-UHFFFAOYSA-N 296.396 1.736 0 50 CDAA c1cncc([C@H](c2nc(C3CC3)n[nH]2)N2CCOCC2)c1 65504590 IFSGRZBYAQZKTA-CYBMUJFWSA-N 285.351 1.499 0 50 CDAA CCN(c1ccc(C(=O)O)cc1)S(=O)(=O)CC 20130262 VICCVJWRFZIBTE-UHFFFAOYSA-N 257.311 1.561 0 50 CDAA Cc1[nH]nc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1C 330805561 LXHUKDMMKFFNAW-ZDUSSCGKSA-N 294.399 1.113 0 50 CDAA Cc1ncc(C(=O)N(C)c2cnn(C)c2)c(C2CC2)n1 329355385 YXNYFFDOYGIGOM-UHFFFAOYSA-N 271.324 1.673 0 50 CDAA CC[C@H](C)n1ncc(C(=O)N2CC(=O)N(C)C2)c1C 330128859 DQWDPXSVBVGMSW-VIFPVBQESA-N 264.329 1.034 0 50 CDAA Cc1nc(CCN(C)C(=O)C(=O)Nc2ccccc2)no1 219546368 PQXOMASOXCDTRK-UHFFFAOYSA-N 288.307 1.018 0 50 CDAA CC[C@H](C(=O)O)N(c1ccc(Cl)cc1)S(C)(=O)=O 39315704 VLACUDABPCZYEB-SNVBAGLBSA-N 291.756 1.969 0 50 CDAA Cc1n[nH]c(SCCNC(=O)c2ccc(Cl)cn2)n1 71762541 LSKLDLWLJHOAFT-UHFFFAOYSA-N 297.771 1.684 0 50 CDAA N=C(O)[C@@H]1CC[C@@H](CNC(=O)NCc2cscn2)O1 332327942 PCMRKSSMVZGGDM-IUCAKERBSA-N 284.341 1.025 0 50 CDAA Cc1c(C(=O)N(C2CC2)C2COC2)nnn1C(C)C 333123373 VLOGUCARSKKZBU-UHFFFAOYSA-N 264.329 1.171 0 50 CDAA C[C@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H](C)N1 154238492 ZNEDFGXTSBPYLW-KBPBESRZSA-N 275.396 1.327 0 50 CDAA c1nc(N[C@@H]2CCCNC2)c2ncn(C3CC3)c2n1 333572286 SEJOWOMWXIAEMK-SECBINFHSA-N 258.329 1.325 0 50 CDAA C[C@H]1CC(=O)N(CCc2ccc(F)c(F)c2)C1=O 183188445 GQICBUXVNDHZGA-QMMMGPOBSA-N 253.248 1.902 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC(O)(C(=O)O)CC2)c(C)c1 261606780 AFVNUMBJNYQYLV-UHFFFAOYSA-N 291.347 1.664 0 50 CDAA CC(=O)N1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 32073868 CLZOHDGXTONINE-UHFFFAOYSA-N 297.358 1.782 0 50 CDAA Cc1cnccc1N1CCN([C@H]2CCCCNC2=O)CC1 373528651 KXRCERRFUHQVFE-HNNXBMFYSA-N 288.395 1.181 0 50 CDAA CCN(C)[C@H](C(=O)N1CC[C@H](N)C1)c1ccccc1 132554387 KVZDMONUKKDIEH-KBPBESRZSA-N 261.369 1.239 0 50 CDAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCCOC1 173187102 HPBWZHAPQRPMAU-GXFFZTMASA-N 294.399 1.446 0 50 CDAA O=C(NCCNC(=O)[C@]12CCC[C@H]1C2)c1ccc(F)cc1 521394856 TWSPKKBVMRLTDL-LRDDRELGSA-N 290.338 1.862 0 50 CDAA COc1ccc2c(c1)C[C@H](NC[C@@H]1CCC[C@H]1O)CO2 453385173 OBVFTWIFRQMOFI-CORIIIEPSA-N 277.364 1.749 0 50 CDAA CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)n(C)n2)C1 174196605 ZTFFUIOEAIPPDC-GFCCVEGCSA-N 278.400 1.758 0 50 CDAA COCCS(=O)(=O)NC(=O)[C@H]1C[C@H]1C1CCCCC1 174249774 NKIBYXHRYHNAFM-RYUDHWBXSA-N 289.397 1.295 0 50 CDAA Cc1cc(Cl)cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1 157492543 KQSGQSJSCQHEOD-LLVKDONJSA-N 283.711 1.574 0 50 CDAA CCc1nc(C)c(C(=O)N2CCO[C@@H](CC(=O)O)C2)s1 262462422 WGRUFMLSLLLPKG-VIFPVBQESA-N 298.364 1.330 0 50 CDAA Cn1cc(CNCC[C@H]2CCC(=O)N2)c(-c2ccncc2)n1 375770970 URGXLXJGDLPPAG-CQSZACIVSA-N 299.378 1.240 0 50 CDAA O=C(c1cncn1-c1ccccc1)N1CC[C@H]2CNC[C@@H]2C1 290321012 GQJJBTJLIVAWEH-UONOGXRCSA-N 296.374 1.554 0 50 CDAA Cc1nc2ccccc2n1CC(=O)N[C@@H](C(=O)O)C(C)C 178293015 NRLKVOLJDSFDJL-CQSZACIVSA-N 289.335 1.570 0 50 CDAA CCCN(CC)C(=O)Cn1ccc([C@@H]2CCCNC2)n1 426698224 KVXBDMAIMIENGP-CYBMUJFWSA-N 278.400 1.609 0 50 CDAA COC(=O)N[C@H](C)C(=O)N(C)C1Cc2ccccc2C1 223100697 WJCIZDXORNEOAP-SNVBAGLBSA-N 276.336 1.357 0 50 CDAA O=C1NCCCc2[nH]c(-c3ccccc3-n3cccn3)nc21 95363493 NPEAQUHPGZLZLX-UHFFFAOYSA-N 293.330 1.938 0 50 CDAA C[C@H](CNC(=O)NC1(C(N)=O)CCCC1)c1ccccc1 426533857 BHEDEPLFQFSCAZ-GFCCVEGCSA-N 289.379 1.887 0 50 CDAA COc1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)cn1 294407732 MJBFRXVCPZDENA-GFCCVEGCSA-N 273.340 1.936 0 50 CDAA Cc1ccsc1CN1CCOC[C@@H]1CC(=O)O 97674202 VWFQTLUJISHEGO-JTQLQIEISA-N 255.339 1.732 0 50 CDAA Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)cc1C 239434002 YWJLRPXZVKHIRG-OEUWWYETSA-N 299.326 1.109 0 50 CDAA O=C(NCCNc1cccnc1)[C@H]1COc2ccccc2C1 95531739 WFTZANWBFMZTHE-CQSZACIVSA-N 297.358 1.861 0 50 CDAA CCc1n[nH]c(C(=O)N(C)CC2(CO)CC2)c1C 97679786 WOMKKAUVCLHNBG-UHFFFAOYSA-N 251.330 1.125 0 50 CDAA Cc1csc(CN2CCCN(C)C3(CCNCC3)C2)n1 244742316 OFQANBWGMOLRHD-UHFFFAOYSA-N 294.468 1.711 0 50 CDAA Cc1ccc(F)c(NC(=O)CN2CCC[C@H](C(=O)O)C2)c1 244626803 FTBMRMFEFBCULN-NSHDSACASA-N 294.326 1.869 0 50 CDAA COc1ccc(OCCN2C[C@@H]3CC[C@H](C2)[C@@H]3N)cc1 244840215 UIYDPQWMBZQAJA-VIKVFOODSA-N 276.380 1.743 0 50 CDAA CC[C@@H](NC(=O)c1ccc(O)cn1)[C@H]1C[C@H](O)C1 244874684 XFOGDAJEPJRRRH-FBIMIBRVSA-N 250.298 1.067 0 50 CDAA O=C1CC[C@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2F)N1 247850312 GPEKNSKAKMHDMX-JLLWLGSASA-N 262.284 1.076 0 50 CDAA COc1ccc(C(=O)NC(C)(C)CN(C)C)c(OC)n1 534664027 ZPBRPUCLXAGNJL-UHFFFAOYSA-N 281.356 1.169 0 50 CDAA CC(=O)N1CCC[C@H](NC2CSCCSC2)C1 534590024 IHAJOSYZZHPYBL-NSHDSACASA-N 274.455 1.436 0 50 CDAA CCCCS(=O)(=O)N[C@@H](COC)c1ccccn1 534637079 DYJVDLCWUSORLZ-LBPRGKRZSA-N 272.370 1.489 0 50 CDAA CCCn1nccc1C(=O)NCc1nnc(CC)o1 534638520 FCWLVBFJMHJZJM-UHFFFAOYSA-N 263.301 1.169 0 50 CDAA C[C@@H](CN)Oc1cccc(CN2CCSCC2)c1 299784142 ZDKDQMKYAPTKIZ-LBPRGKRZSA-N 266.410 1.961 0 50 CDAA CN(Cc1ccnn1C)C[C@@H]1CCN(C)C1(C)C 823715245 ZFJADAWNPVYYBZ-LBPRGKRZSA-N 250.390 1.582 0 50 CDAA CCc1nn(C)c2c(=O)n(CC[C@@H]3CCCN3C)cnc12 584895896 REILDIPNLXZEGL-NSHDSACASA-N 289.383 1.177 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cc(O)cc(C(=O)O)c2)n[nH]1 828909892 IPWWFYGVKBPKII-ZCFIWIBFSA-N 290.279 1.008 0 50 CDAA C[C@@]1(CNc2cncc(C(=O)N3CCCC3)n2)CCCO1 828202654 ZRFJANIMAPKTFF-HNNXBMFYSA-N 290.367 1.694 0 50 CDAA CN(C)CCCOc1ccc(CN2CC[C@H](CO)C2)cc1 828713504 GCUABCSLARIBDQ-INIZCTEOSA-N 292.423 1.831 0 50 CDAA COC(=O)N[C@@H](C)c1n[nH]c(Cc2ccc(OC)cc2)n1 824155829 GAPPCAINPOQHHD-VIFPVBQESA-N 290.323 1.821 0 50 CDAA COCCc1noc([C@@H](C)NC2CCOCC2)n1 584887296 YMXJWLDXXPRCTL-SECBINFHSA-N 255.318 1.088 0 50 CDAA N=c1[nH]c(CNC(=O)[C@H]2CCc3ccccc32)cs1 584900397 VUFGPPMGPYEGTB-LBPRGKRZSA-N 273.361 1.902 0 50 CDAA CC(C)c1nnsc1Cn1cnc2cnccc2c1=O 670448159 BQVOQQLYTSIJOP-UHFFFAOYSA-N 287.348 1.815 0 50 CDAA CO[C@@H](C)C(=O)N1CCC(N2CCCCCC2)CC1 584896061 SPCIYEPMEATWIR-ZDUSSCGKSA-N 268.401 1.888 0 50 CDAA CCCc1ncncc1C(=O)NCCN=c1cc[nH]cc1C 670448683 RAECZSQMALOWNP-UHFFFAOYSA-N 299.378 1.396 0 50 CDAA CO[C@@H]1COC[C@@H]1NC(=O)N[C@H](C)c1ccc(F)cc1 1414664352 IKBXOLPBAWTBTA-JIMOISOXSA-N 282.315 1.600 0 50 CDAA CCOc1ccc(S(=O)(=O)NCCOC)cc1 2093591 CWNCALNDMWNDQQ-UHFFFAOYSA-N 259.327 1.010 0 50 CDAA CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)[nH]n1 1362824376 HOKWRWDSRPRYNU-CYBMUJFWSA-N 271.320 1.648 0 50 CDAA CCc1cc(CN2CCCC[C@@H]2C(=O)NC)on1 244678638 IHKQRBQLIBCPGD-GFCCVEGCSA-N 251.330 1.338 0 50 CDAA O=C(NC[C@@H]1CCCN(C(=O)C2CC=CC2)C1)C1CC1 952968502 DWKJBPSUVJCTCO-LBPRGKRZSA-N 276.380 1.717 0 50 CDAA COc1cc(NC(=O)c2occc2C)cc(-n2cnnn2)c1 952978559 ANPIQTQIWFVBTM-UHFFFAOYSA-N 299.290 1.825 0 50 CDAA C[C@H]1CCN1C(=O)c1ccccc1N1CCOCC1 881483163 ZEAXHUFLNOXCAV-LBPRGKRZSA-N 260.337 1.758 0 50 CDAA C[C@]1(O)CCN(C(=O)CCc2ccc(F)cc2)C[C@H]1O 1565509417 DECUJONRXHJOBR-HIFRSBDPSA-N 281.327 1.103 0 50 CDAA Cc1cccc(S(=O)(=O)NC(=O)[C@H]2OCC[C@H]2C)c1 408480531 CYRMFRYNKODOJH-PWSUYJOCSA-N 283.349 1.225 0 50 CDAA Cn1ccc(=O)n1CCCS(=O)(=O)c1ccccc1 408525211 PJTLMMYWKSWUFM-UHFFFAOYSA-N 280.349 1.051 0 50 CDAA COC(=O)C[C@H]1CN([C@@H]2C[C@@H]2c2ccccc2)CCO1 408520937 BYUOKCNGELMBSM-RRFJBIMHSA-N 275.348 1.806 0 50 CDAA CCc1nnsc1C(=O)N[C@H](CC)[C@H](O)C(F)(F)F 270834493 GPWNDXPMYAKRNM-SVRRBLITSA-N 297.302 1.532 0 50 CDAA O=C(N[C@H]1COc2ccccc21)c1c[nH]nc1[C@H]1CCOC1 275528550 MUHXBZKSHJNXIZ-GWCFXTLKSA-N 299.330 1.777 0 50 CDAA O=C(NCCc1csc2ccccc12)[C@H]1C[C@H](O)CN1 277556186 MXBMYVXKGHDIIU-WCQYABFASA-N 290.388 1.283 0 50 CDAA C[C@@H]1CCN(C(=O)C(=O)NC2CC2)[C@H]2CCCC[C@@H]21 170627180 IJLKEJSHIGZXCK-RTXFEEFZSA-N 264.369 1.692 0 50 CDAA CCc1nc(C(=O)N2CC[C@@]3(CNc4ccccc43)C2)no1 631519281 CSZIGLRAJAAMKY-MRXNPFEDSA-N 298.346 1.841 0 50 CDAA c1cc(-c2noc(-c3cnn(CC4CC4)c3)n2)ncn1 632133817 GDIBGABIXHFLOS-UHFFFAOYSA-N 268.280 1.800 0 50 CDAA Cn1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 581955494 NVHSJEJIAPKLKP-ZNMIVQPWSA-N 291.395 1.505 0 50 CDAA CCOc1c(Cl)cccc1CC(=O)NC1(CO)CC1 189740897 UOOAOIORDKJPTA-UHFFFAOYSA-N 283.755 1.922 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(Cn2ccnn2)CC1 189734868 JLHQVBIBZSEMFF-OCCSQVGLSA-N 292.383 1.332 0 50 CDAA C[C@@H](CCCO)NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 190313481 WVEHXPNUHNVVQE-XQQFMLRXSA-N 286.416 1.898 0 50 CDAA CC(C)n1cc(S(=O)(=O)Nc2cnsc2)cn1 585129183 AKXHNMCTGOUQQI-UHFFFAOYSA-N 272.355 1.721 0 50 CDAA Cc1cc(CN2CCC[C@]23CCNC3=O)ccc1F 585116550 AMRIZZZEGALSCH-OAHLLOKOSA-N 262.328 1.989 0 50 CDAA CCS[C@@H]1CCCCN(C(=O)c2ns[nH]c2=O)C1 585131853 HZRZOQZYJICJMV-MRVPVSSYSA-N 287.410 1.579 0 50 CDAA CO[C@]1(CNCc2nncn2-c2ccccc2)CCOC1 585117840 ZJQOHSYBMAQSFF-HNNXBMFYSA-N 288.351 1.162 0 50 CDAA COCCc1noc(CN[C@H]2CCCC2(C)C)n1 191292574 PYNTZMMTIPGKBB-JTQLQIEISA-N 253.346 1.927 0 50 CDAA CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cnns1 192350737 XQUPFJUIBRFHGG-SECBINFHSA-N 269.374 1.342 0 50 CDAA O=C(NC1(C(=O)O)CCC1)c1cccc2c1CCC2 192897038 SSFMXJMPBFSFDJ-UHFFFAOYSA-N 259.305 1.912 0 50 CDAA Cc1cccc(C(=O)N(C[C@@H](C)C(=O)O)C2CC2)n1 195551882 OMSLIAGLXSXMLG-SECBINFHSA-N 262.309 1.715 0 50 CDAA O=C(NCCNc1ncnc2ncccc12)C1CCCC1 195545107 SQJTWKGLIBUYKT-UHFFFAOYSA-N 285.351 1.743 0 50 CDAA O=C(CN1CCc2ccccc2C1=O)Nc1nncs1 572808868 VHMRZCMIIQZOBR-UHFFFAOYSA-N 288.332 1.175 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)[C@H](Nc2nccc(C(F)(F)F)n2)C1 662897582 UJGQMZPFVMOZBT-RRKCRQDMSA-N 291.229 1.131 0 50 CDAA Cn1cnc(CNC(=O)c2ccc3c(c2)[C@H](CN)CCC3)c1 1615552424 DWBTXHIOZGUWEW-AWEZNQCLSA-N 298.390 1.729 0 50 CDAA C[C@H]1C(=O)N(CC(=O)[C@H]2CCOC2)C(=O)c2ccccc21 1616042204 MUBJYNASWMOWTR-MNOVXSKESA-N 287.315 1.378 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)CNC1([C@H]2CCNC2)CC1 1616032199 RQLGOQSHUDFLQR-HIFRSBDPSA-N 299.418 1.696 0 50 CDAA CCc1nc(N(C)CC[C@H](C)N2CCCC2)no1 1506398581 SFSLIRGDROOWAA-NSHDSACASA-N 252.362 1.943 0 50 CDAA O=C(CCc1cn[nH]c1)N(CCO)Cc1ccc(F)cc1 1506323693 NEQDIGPJMCUEON-UHFFFAOYSA-N 291.326 1.503 0 50 CDAA CCN(Cc1cc(O)nc(C)n1)C[C@@H]1CCCCO1 1529150917 BCCLJULMCBYYRY-ZDUSSCGKSA-N 265.357 1.882 0 50 CDAA CN(C)c1nccnc1N1CCC[C@H](Cn2ccnc2)C1 1529173626 NTCBHEOTUABHIW-CYBMUJFWSA-N 286.383 1.656 0 50 CDAA CN(Cc1ccon1)C(=O)[C@]1(C)CC12CCNCC2 1857684421 NDWWTOTYWHSOQG-ZDUSSCGKSA-N 263.341 1.413 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(F)(F)F)C1 223394318 DJIBCPSWSLSRFY-KXUCPTDWSA-N 264.291 1.915 0 50 CDAA Cc1noc(C)c1C(=O)Nc1ccc2nn(C)nc2c1 1875240895 KDLHKXSTIZGAAE-UHFFFAOYSA-N 271.280 1.825 0 50 CDAA CC[C@@H]1CN(C(=O)c2cnn3ccccc23)CC[C@]1(C)O 213093334 LTDDBNMRMHUHCT-WBMJQRKESA-N 287.363 1.957 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(CCNC(=O)CC2)C1 110915007 HGVWDUJGUKCNHN-CQSZACIVSA-N 268.357 1.914 0 50 CDAA in-vitro COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1F 118231562 IDGNWABHMSNRKU-UHFFFAOYSA-N 295.266 1.966 0 50 CDAA CCCCNS(=O)(=O)c1cccc(C(=O)O)c1 13340454 QQZLEFLDGXHDDP-UHFFFAOYSA-N 257.311 1.463 0 50 CDAA in-vitro COC[C@H](NC(=O)c1cc(C)sn1)C1CCOCC1 585113342 QZJVEKKFCKAUNM-LBPRGKRZSA-N 284.381 1.623 0 50 CDAA O=c1cnc(Br)cn1-c1ccccn1 1772718300 SPGGRLBFQVZQKU-UHFFFAOYSA-N 252.071 1.390 0 50 CDAA Cc1ncc(-c2nccn2-c2cccc3c2nnn3C)cn1 1775983759 APMGMBWFRHFRRG-UHFFFAOYSA-N 291.318 1.919 0 50 CDAA Cc1cc(C)cc(NC(=O)N2C[C@@H]3CNC[C@]3(CO)C2)c1 1772709353 IXBQSBIRTZGNKX-XJKSGUPXSA-N 289.379 1.349 0 50 CDAA CCN(CC)C(=O)CN(C)c1cc(N)nc(SC)n1 124492845 LAAGWJKUVDRWHL-UHFFFAOYSA-N 283.401 1.085 0 50 CDAA Cc1ccn(CC(=O)N2CCO[C@H](Cc3ccccc3)C2)n1 12209830 NBSIILLPCQSCAI-MRXNPFEDSA-N 299.374 1.662 0 50 CDAA CN(C)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O 12715738 UDECBOZZCIOMAN-QGZVFWFLSA-N 290.407 1.534 0 50 CDAA OCCN1CCN(C2CCN(C3CCCC3)CC2)CC1 19359110 QGMZCRORTGXBSG-UHFFFAOYSA-N 281.444 1.003 0 50 CDAA Cc1ccc(N2C(=O)C[C@H](NC[C@H]3CCCO3)C2=O)cc1 19720182 ATIPQIZIPFWXSA-KGLIPLIRSA-N 288.347 1.396 0 50 CDAA O=C(CN1CCOCC1)NCC12CC3CC(CC(C3)C1)C2 19733250 HNGXFCPCZVNAQA-UHFFFAOYSA-N 292.423 1.651 0 50 CDAA Cc1ccc(C(=O)NCC2CCS(=O)(=O)CC2)s1 162126977 FDQXWQPIOXEQSZ-UHFFFAOYSA-N 287.406 1.611 0 50 CDAA CCC[C@]1(CO)CCN(C(=O)c2cc(C)oc2C)C[C@@H]1O 1857736244 GTOCAAKSRIRCGK-GOEBONIOSA-N 295.379 1.882 0 50 CDAA CC(=O)N1CCC[C@H](CNC(=O)c2[nH]c(C)nc2C)C1 621986434 LYIMJZLDZGWHKY-GFCCVEGCSA-N 278.356 1.015 0 50 CDAA CC1(C)CN(C(=O)c2cnn[nH]2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 328693630 FTOPOFRDUYWKEV-ZETOZRRWSA-N 290.367 1.615 0 50 CDAA O=C(Cc1ccc2c[nH]nc2c1)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 333882369 WORJCPWTENOCLS-RRCSTGOVSA-N 295.342 1.517 0 50 CDAA N=c1cc(CN2Cc3ccccc3[C@H](C(=O)O)C2)cc[nH]1 652470119 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O=C(N[C@H]1CCO[C@H]1c1nc[nH]n1)c1cc(F)ccc1F 952888123 CVKLMAFAIJWJIT-WDEREUQCSA-N 294.261 1.343 0 50 CDAA CCS[C@H]1CCCCN(C(=O)c2cc(O)nn2C)C1 1875293493 SDIMYTMOVJEQPI-JTQLQIEISA-N 283.397 1.874 0 50 CDAA O=C(c1coc2ccc(F)cc12)N1C[C@@H](CO)C[C@H]1CO 1875285948 HNAGSJHEIPZSLJ-ONGXEEELSA-N 293.294 1.387 0 50 CDAA C[C@H](C(=O)O)N(Cc1ccc(F)cc1)Cc1cn(C)nn1 1875283089 FUVCQWXMUDVYAD-SNVBAGLBSA-N 292.314 1.430 0 50 CDAA C[S@](=O)CC[C@H](N)C(=O)Nc1ccsc1Cl 1875312093 HNCBPSXPHIWBBM-MUCOVADDSA-N 280.802 1.436 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@]1(C2CC2)CCCO1 1875376890 MFXANTARMSRKBF-KQIUPUNMSA-N 252.358 1.180 0 50 CDAA CCOc1ncccc1C(=O)N1[C@@H](C)CC[C@H]1C(=O)O 1875323695 PPGSHQSELPMCNB-ONGXEEELSA-N 278.308 1.558 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(S(=O)(=O)C2CC2)C1 888102793 MSWXGNGBMHHJEY-PWSUYJOCSA-N 299.396 1.281 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N2C[C@H](N)C3(CCC3)C2)c1 1775962473 MSNDOEQAUWWSIL-ZDUSSCGKSA-N 299.378 1.080 0 50 CDAA O=C(N[C@H]1C[C@@H](Cn2cncn2)C1)C1Cc2ccccc2C1 1776003640 BXAGSNDNJRVGGW-DRQUAOQDSA-N 296.374 1.588 0 50 CDAA CC1=NN(c2ccc(-n3ccnc3)nn2)C(=O)C12CCC2 899351292 FNZGMNYATJJCON-UHFFFAOYSA-N 282.307 1.555 0 50 CDAA Cc1nnsc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 249040417 BXOXIOPQDLAHHF-BBBLOLIVSA-N 295.364 1.704 0 50 CDAA O=C(c1ccoc1)N1CCC(CN2CCOCC2)CC1 47387254 UDISIGYOTSDHLN-UHFFFAOYSA-N 278.352 1.464 0 50 CDAA N=c1ncnc2[nH][nH]c(-c3ccc4c(c3)OCCO4)c1-2 426380745 UZNOFQQMIMUUFG-UHFFFAOYSA-N 269.264 1.155 0 50 CDAA Cn1ccnc1[C@H](NC(=O)c1ccncc1F)C1CC1 574506762 YYMWUQQKQUFDKJ-GFCCVEGCSA-N 274.299 1.835 0 50 CDAA OCC1(CN2CCC([C@@H]3CCCOC3)CC2)COC1 374725249 FCPONKOQNYMFJG-CQSZACIVSA-N 269.385 1.134 0 50 CDAA C[C@](O)(CN1C[C@@H]2CC[C@H](N)[C@H]2C1)c1ccccc1 388826460 WSQJXXIDWYWYTM-TUUVXOQKSA-N 260.381 1.563 0 50 CDAA CN(C)C1(CNc2cc(O)ncn2)CCCCC1 891476459 QSMZGABDJLZGFK-UHFFFAOYSA-N 250.346 1.859 0 50 CDAA O=C(Cn1ccc2ccccc21)N[C@@H](c1nn[nH]n1)C1CC1 2325740185 YCXDJWQEWDUTNE-CQSZACIVSA-N 296.334 1.422 0 50 CDAA O=C(O)[C@@H](CNCc1cnn2c1CCC2)C1CCOCC1 2325829960 XBPDTRJFALTPHU-ZDUSSCGKSA-N 293.367 1.046 0 50 CDAA O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccccc1Cl 41439 FUWASKHJRKOVQG-LBPRGKRZSA-N 294.738 1.304 0 50 CDAA CC1(C)C[C@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 181027 YCLVBOXFEBJBML-STQMWFEESA-N 296.348 1.599 0 50 CDAA biogenic Cc1ccnc(SCC(=O)Nc2cc(C)on2)n1 419518 DEXRPKPKVAELGM-UHFFFAOYSA-N 264.310 1.812 0 50 CDAA CCCn1nnc(NC(=O)c2ccccc2Cl)n1 469516 RFVFHTIPZYIDCL-UHFFFAOYSA-N 265.704 1.989 0 50 CDAA COc1cccc([C@H](O)CNC(=O)Cc2cccs2)n1 2356146177 VPGOPWQTINCFLL-GFCCVEGCSA-N 292.360 1.544 0 50 CDAA O=C(O)CCCNC(=O)[C@@](F)(Cl)C(F)(F)F 3093307 NZZDVCXCNADEAV-LURJTMIESA-N 265.590 1.434 0 50 CDAA CCOP(=O)(OCC)[C@H]1CC(=O)N(C)C(=O)N1C 3105860 MOENEWYHEFTJMR-VIFPVBQESA-N 278.245 1.493 0 50 CDAA O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCOCC1 4503076 BSUQLAOEYMSOFS-LLVKDONJSA-N 292.310 1.037 0 50 CDAA NC(=O)[C@@H]1CCC[C@@H](NC(=O)CC(F)(F)F)C1 133058370 LHTLXBZBZNLRTL-RNFRBKRXSA-N 252.236 1.099 0 50 CDAA CC[C@]1(C)C(=O)NCCN1C(=O)COc1ccc(F)cc1 67435142 RWAVPOVOPRSDKB-OAHLLOKOSA-N 294.326 1.332 0 50 CDAA COCc1cc(CNc2nc(N(C)C)nc(C)c2C)n[nH]1 67954743 MSTKJMUWJAIRGM-UHFFFAOYSA-N 290.371 1.641 0 50 CDAA C[C@H](CO)NC1CCN(C(=O)NC2CCCCC2)CC1 65488173 JRHNJHULBRTRDV-GFCCVEGCSA-N 283.416 1.464 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)NC[C@]1(C)CCCO1 20351677 WNOOVQSLMBVEAA-AWEZNQCLSA-N 265.357 1.644 0 50 CDAA C[C@@](O)(CCc1ccccc1)C(=O)NCCc1ncc[nH]1 253392319 UYEPZKSRUSZZCO-MRXNPFEDSA-N 287.363 1.452 0 50 CDAA Cc1cnc(N(C)Cc2ccncn2)nc1N(C)C 65470600 NGNSCPHBYCJCLL-UHFFFAOYSA-N 258.329 1.277 0 50 CDAA COc1cc(C)ccc1OCCN1CCC[C@H]1C(N)=O 65491983 ASRRPCGALGSGRT-LBPRGKRZSA-N 278.352 1.332 0 50 CDAA Cc1cnc(N(C)CCc2ccncc2)nc1N(C)C 65488791 BPNFWMMVBMIIMB-UHFFFAOYSA-N 271.368 1.925 0 50 CDAA Cc1nnc(NC[C@H]2CN(C)CCN2C)c2ccccc12 68806721 SDXJTSRVBLNNCT-ZDUSSCGKSA-N 285.395 1.596 0 50 CDAA Cc1nc(=O)[nH]c(C)c1CCC(=O)NCC1=CCCCC1 67540839 MCHIGLHKINBFAO-UHFFFAOYSA-N 289.379 1.936 0 50 CDAA Cc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(F)cc1)CC2 171328314 WQFFNPAWXIBSQG-ZDUSSCGKSA-N 288.326 1.399 0 50 CDAA COCC(=O)N1CCCN(CC[C@@H](C)SC)CC1 67894627 UMBHKMVPZIPONN-GFCCVEGCSA-N 274.430 1.309 0 50 CDAA C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)C1CC1)C1CC1 518754894 QRNBYOZJOFZJLE-MJVIPROJSA-N 296.411 1.014 0 50 CDAA Cc1cc(C)n(-c2cccc(CN[C@@H](C)C(N)=O)c2)n1 32500741 LFXONOBTQDAJEG-LBPRGKRZSA-N 272.352 1.453 0 50 CDAA CC(C)S(=O)(=O)c1ccc(N2CCOCC2)cc1N 39320779 CMXBLEBHYKMWNE-UHFFFAOYSA-N 284.381 1.288 0 50 CDAA Cc1ncc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)s1 328590600 SOUGRWDTYAEPDF-ZYHUDNBSSA-N 272.414 1.699 0 50 CDAA Cn1ncnc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 150899330 NBQVTMLLZONJEB-UHFFFAOYSA-N 299.334 1.345 0 50 CDAA CC[C@@H](NS(=O)(=O)c1cc(C)cs1)C1CC(O)C1 219698296 DQWQWXSSIMVVGA-VQXHTEKXSA-N 289.422 1.884 0 50 CDAA Cn1nccc1[C@H]1CCCCN1C(=O)c1cccnc1O 282176438 RPUARKIVBLHZJR-CYBMUJFWSA-N 286.335 1.888 0 50 CDAA COCc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1F 237188843 JUPYICALHMQXCY-UHFFFAOYSA-N 295.310 1.909 0 50 CDAA CCn1cccc(NC(=O)N[C@]2(C)CCO[C@@H]2C)c1=O 333908436 DIFWIUVFEDBAHA-QMTHXVAHSA-N 279.340 1.557 0 50 CDAA CC(C)c1ncsc1C(=O)NC[C@@H]1CN(C)CCO1 448829670 BCKJZCBQBXHDEA-SNVBAGLBSA-N 283.397 1.327 0 50 CDAA C[C@H]1CCCN(C(=O)COc2ccc(F)cc2F)[C@@H]1CN 237697300 BQUMUSLRANPFIL-GXFFZTMASA-N 298.333 1.929 0 50 CDAA CCCN(CC(=O)O)S(=O)(=O)Cc1cccc(F)c1 262377746 GJFYULLXDHLUGM-UHFFFAOYSA-N 289.328 1.452 0 50 CDAA C[C@H]1c2ccccc2CN1C(=O)[C@H]1CCCN(C(N)=O)C1 334439637 VAPFKWSDVLULLX-AAEUAGOBSA-N 287.363 1.881 0 50 CDAA O=C1CC[C@@]2(CCCO2)CCN1CCCn1cccn1 72165613 UOQVASBQHPTRPR-HNNXBMFYSA-N 277.368 1.835 0 50 CDAA CCc1ccc2nc(C)cc(C(=O)N3C[C@H](O)CO3)c2c1 77300270 TXBPDLYESPMKMD-LBPRGKRZSA-N 286.331 1.854 0 50 CDAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1ncn[nH]1 215837772 YQQHVTNOTJCTJZ-SECBINFHSA-N 261.285 1.387 0 50 CDAA Cc1c(Cl)c(CN2CC[C@@H]([C@H](C)N)C2)nn1C 335558663 XSEDDSTZFZPYSN-WCBMZHEXSA-N 256.781 1.551 0 50 CDAA Cc1noc(C)c1C(=O)N[C@H](C(=O)O)c1ccsc1 522015700 ZUEDHHQJCIFFIK-JTQLQIEISA-N 280.305 1.909 0 50 CDAA CCc1cnc(CCNC(=O)N[C@@H](C)C(=O)N(C)C)s1 174152138 MHWPBFLKLTXKLZ-VIFPVBQESA-N 298.412 1.024 0 50 CDAA Cc1cc(N2CCC[C@](O)(Cn3ccnn3)C2)ccn1 284427904 FHSNHGQAHSWKDO-CQSZACIVSA-N 273.340 1.013 0 50 CDAA Cc1ccc(F)c(CN2CC3(C2)CN(C)C(=O)O3)c1 496388657 UHIUQMMJJMUQRO-UHFFFAOYSA-N 264.300 1.771 0 50 CDAA CN(CCc1nccs1)C(=O)[C@@H](CO)c1ccccc1 612909914 ZOQMMXMVNLOBPE-ZDUSSCGKSA-N 290.388 1.920 0 50 CDAA CNc1ccc(C(=O)N2CCC[C@H]2CC(=O)OC)cn1 285816004 RAFOASNEGFGFCD-NSHDSACASA-N 277.324 1.291 0 50 CDAA CC[C@@H](NC(=O)CCC(=O)O)c1cccc(C)n1 426527754 JCFUMDRILQISQN-SNVBAGLBSA-N 250.298 1.822 0 50 CDAA Cc1cnc(CNc2cc(C3CC(O)C3)nc(N)n2)cn1 223594060 TYURKBGIHDQRNQ-UHFFFAOYSA-N 286.339 1.008 0 50 CDAA O=C(NCCSc1nc[nH]n1)N1CCCCCCC1 426438970 QUGNNMVOTMKURE-UHFFFAOYSA-N 283.401 1.873 0 50 CDAA COc1ccncc1CN1CC[C@@H](N2CCOCC2)[C@H]1C 289699280 HISOKSOXZMOMKV-UKRRQHHQSA-N 291.395 1.385 0 50 CDAA O=C(O)CCCNC(=O)Cc1c[nH]c2ncccc12 178237033 BPDCZKKNRAMHCA-UHFFFAOYSA-N 261.281 1.086 0 50 CDAA Cc1nc(-c2c[nH]c(=O)c3ccccc23)n(CC(=O)O)n1 97370339 GVBFMDKTFJHVLC-UHFFFAOYSA-N 284.275 1.180 0 50 CDAA O=C(NCCc1cc[nH]n1)[C@@H]1CCCN2CCCC[C@H]12 426438916 RCXXNOBRHCUNPJ-ZIAGYGMSSA-N 276.384 1.333 0 50 CDAA Cc1nc(CN2C(=O)COc3cccnc32)cs1 95372585 HUUIZSXNGSTBEG-UHFFFAOYSA-N 261.306 1.772 0 50 CDAA COCc1cc(NC[C@H](CO)Cc2ccsc2)ncn1 95378566 JBFDNYULADMQJA-GFCCVEGCSA-N 293.392 1.948 0 50 CDAA Cc1nc(Cc2nc([C@@H]3CCOC3)no2)cs1 96140962 QZNYZXXPQPWRJU-MRVPVSSYSA-N 251.311 1.929 0 50 CDAA CC(C)c1cc(C(=O)NCCN2CCCC[C@H]2CO)on1 91585586 KLWFZXOBCINWLX-LBPRGKRZSA-N 295.383 1.375 0 50 CDAA CCN(CC)CCCNC(=O)N1CCc2nc(C)[nH]c2C1 426495892 XUJPBTALGUJOAR-UHFFFAOYSA-N 293.415 1.518 0 50 CDAA Cc1ccc(-c2noc(CCCn3cncn3)n2)nn1 91616749 FVBWHDLUYGVDSY-UHFFFAOYSA-N 271.284 1.059 0 50 CDAA COCC1(C(=O)N2C[C@@H](C(=O)O)[C@H](C(C)C)C2)CC1 91619823 LLGJWDLCLMSHFX-WDEREUQCSA-N 269.341 1.228 0 50 CDAA Cc1ccc(-c2noc([C@H]3CCCN3C(=O)C3CC3)n2)nn1 95518114 UCKLSHGRSNSECB-GFCCVEGCSA-N 299.334 1.909 0 50 CDAA COC(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 97756758 XSKIKHWPEKWVCL-ZETCQYMHSA-N 255.220 1.491 0 50 CDAA O=C([C@@H]1COCCO1)N1CCC2(C=Cc3ccccc32)CC1 97730051 JDMUXIDLGYEJNW-INIZCTEOSA-N 299.370 1.989 0 50 CDAA CCc1ncncc1C(=O)N[C@H]1CC[C@H](CO)CC1 533854197 RDIOQXKWRSYWEH-XYPYZODXSA-N 263.341 1.320 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](N2CC[C@@H](C(=O)O)C2)C1 238129500 SZEOIRVQVOFBBA-MNOVXSKESA-N 284.356 1.402 0 50 CDAA C[C@@H]1CN(C(=O)c2cnc3c(c2)CCC3)C[C@]1(C)O 91933890 UFJVVEWVZZCRON-BMIGLBTASA-N 260.337 1.413 0 50 CDAA CCS[C@@H]1CCC[C@@H]1NCC(=O)NCC(F)(F)F 233983912 NDCBUXLKWHZFFO-DTWKUNHWSA-N 284.347 1.929 0 50 CDAA Cc1c(CCC(=O)N2C[C@H](C)N(C)[C@H](C)C2)cnn1C 294080556 WSLVCPXVQDXVLE-TXEJJXNPSA-N 278.400 1.212 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)COC[C@H]1CCCCO1)C2 244866350 VUMAHLVOSJOKOR-OAHLLOKOSA-N 290.363 1.818 0 50 CDAA COC(=O)C1(CN)CCN(Cc2ccccc2)CC1 259733956 XRWHBZYARDKYBE-UHFFFAOYSA-N 262.353 1.401 0 50 CDAA CC1CCN(C[C@H]2CCCN([C@@H](C)C(=O)O)C2)CC1 299750537 NTCABUITIDBDLJ-UONOGXRCSA-N 268.401 1.903 0 50 CDAA Cc1cnc(C)c(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)n1 299745367 YKLVXMWFVOATEB-RKDXNWHRSA-N 288.273 1.193 0 50 CDAA CCOCC(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1074590712 FGWOCJUUWYXZAS-YALNPMBYSA-N 289.375 1.785 0 50 CDAA CCc1nc(CN(C)C[C@H]2CCN(C)C2(C)C)n[nH]1 252500043 SMJIOGAVWGMBFO-LLVKDONJSA-N 265.405 1.529 0 50 CDAA CN(C)CC[C@H](NC(=O)c1nccn1C)c1ccccc1 534639462 KEQGGMQKCHGXIG-AWEZNQCLSA-N 286.379 1.843 0 50 CDAA CN(C)[C@@H]1CCC[C@H]2[C@H]1NCCN2Cc1ccccc1 261508874 XWESEHYQUMTBRP-IKGGRYGDSA-N 273.424 1.943 0 50 CDAA COc1cc2c(cc1CN(C)C[C@H]1CCOC1)OCO2 355386767 RCIUAXICEYHDBP-LLVKDONJSA-N 279.336 1.892 0 50 CDAA C[C@H](Cn1cncn1)NCCCOC1CCCC1 534583293 JUMGYPNLOXYRJW-GFCCVEGCSA-N 252.362 1.606 0 50 CDAA Cc1nonc1C(=O)NCc1cc(C(C)(C)C)n[nH]1 299794543 JTVDIEDUKILMHA-UHFFFAOYSA-N 263.301 1.329 0 50 CDAA CC(=O)c1ccc(N2CCOC3(CCN(C)CC3)C2)nc1 645385571 ZAQMLJQITOGXBD-UHFFFAOYSA-N 289.379 1.585 0 50 CDAA Cn1cncc1C(=O)NCc1nc(C2CCCCC2)no1 299784576 IUWIUVWVOZOJRH-UHFFFAOYSA-N 289.339 1.781 0 50 CDAA CCCc1cc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)n[nH]1 654119904 ILIRCWOUSHWMQG-GFCCVEGCSA-N 279.384 1.985 0 50 CDAA NC(=O)C1(c2n[nH]c(-c3ccc(F)c(F)c3)n2)CC1 826828757 WQKCZENUYQKACJ-UHFFFAOYSA-N 264.235 1.267 0 50 CDAA CC[C@H](NS(=O)(=O)N(C)C)c1nc(C)c(C)s1 822668833 JTJYGQKWXADQFU-VIFPVBQESA-N 277.415 1.607 0 50 CDAA Nc1nc(CNC(=O)Cc2ccc3c(c2)OCO3)cs1 827849422 BCCADDMLBFULQS-UHFFFAOYSA-N 291.332 1.313 0 50 CDAA CN(CCn1ccnc1)C(=O)C[C@@H]1CCCOC1 584903178 XXQLLTFIWFYCDU-LBPRGKRZSA-N 251.330 1.158 0 50 CDAA CN(Cc1cnc2ccccc2n1)[C@@H]1CCNC(=O)CC1 670468965 PBKQRFWOSBKXEM-ZDUSSCGKSA-N 284.363 1.730 0 50 CDAA CN1CCC(C2CCN(C(=O)C[C@H]3CCOC3)CC2)CC1 670460413 GBDYCEYLMLZJOL-CQSZACIVSA-N 294.439 1.993 0 50 CDAA Cn1cc(CC(=O)Nc2cccnc2C2CC2)cn1 1335361359 JYDYZDGPXGHQSO-UHFFFAOYSA-N 256.309 1.874 0 50 CDAA CCc1noc(CC)c1CNC(=O)/C=C/CN(C)C 268082061 PYBBAEFFPJGNMW-BQYQJAHWSA-N 265.357 1.533 0 50 CDAA COC(=O)c1ccc2nc(Br)cn2c1 71787962 QIPNKRNFZTZQBD-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro 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279.336 1.213 0 50 CDAA Cc1cc(C)c(OCC(=O)N2CCC[C@@H](N)C2)c(C)c1 191339547 XJAWSXSNAOSRGX-CQSZACIVSA-N 276.380 1.940 0 50 CDAA CC[C@H](C(=O)O)N1CCN(Cc2cccc(F)c2)C(=O)C1 191422187 QBKXHVSDCXOOHB-CYBMUJFWSA-N 294.326 1.333 0 50 CDAA CNC(=O)c1cccc(CCN[C@@H]2CCOC[C@@H]2C)c1 192593871 PVROWHDGBXUMMR-SWLSCSKDSA-N 276.380 1.603 0 50 CDAA N[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 195554349 KGKJWSXOONSLGA-HZPDHXFCSA-N 297.358 1.761 0 50 CDAA O=C(O)[C@@H](c1ccsc1)N1CCc2nccnc2C1 659803436 HXXUJKMUCYPGIS-GFCCVEGCSA-N 275.333 1.722 0 50 CDAA Cc1nnc(CN(CC(F)F)C[C@@H](C)O)s1 660738462 QRLBMTRKMVAHSM-ZCFIWIBFSA-N 251.302 1.294 0 50 CDAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)[C@@H]1CCC[C@@H](N)C1 718111263 LJNSNOYWBFHLGP-IRCOFANPSA-N 268.357 1.216 0 50 CDAA O=C(O)c1nscc1S(=O)(=O)NCC1=CCCC1 663449310 UNPJNBBKKGKOSI-UHFFFAOYSA-N 288.350 1.230 0 50 CDAA CON(C)C(=O)CCN1CCC(c2nccc(C)n2)CC1 799165414 GIPMTTKVSNSAMQ-UHFFFAOYSA-N 292.383 1.374 0 50 CDAA Cc1ccc(OCC(=O)N2C[C@@H](O)[C@H](F)C2)cc1C 952985876 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Cn1c(-c2nc([C@]34OCCC[C@@H]3C4(F)F)no2)cnc1O 1875392887 YLDWEQNIOAYHGI-WRWORJQWSA-N 298.249 1.447 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)[C@@H]1CCCn2nccc21 887536677 WLBYTQMFBZDJCZ-GFCCVEGCSA-N 289.379 1.572 0 50 CDAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)C1CC=CC1)C2 888095488 ZHYSZTULOZWARN-KCYZZUKISA-N 292.423 1.549 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](CC(=O)O)C1 1772715991 GUXPWNGXUZZMNZ-DTWKUNHWSA-N 259.302 1.533 0 50 CDAA Cc1ncccc1CCNC(=O)[C@@]12CCCC[C@@H]1NCC2 1775769632 HWMWDVJPTBZINW-DOTOQJQBSA-N 287.407 1.971 0 50 CDAA O=C(CC1CCCCCC1)N1CCC(O)(C(=O)O)CC1 262084169 KOPRGJQWBRIKFR-UHFFFAOYSA-N 283.368 1.785 0 50 CDAA O=C(CCc1ccc(F)cc1)NCCNC1CC1 170676826 YBFIMESJOGERKL-UHFFFAOYSA-N 250.317 1.627 0 50 CDAA O=C(C1CCOCC1)N1CCC[C@@H](c2ccn[nH]2)C1 72385969 BINGXDNYEQIQGR-GFCCVEGCSA-N 263.341 1.542 0 50 CDAA c1cn2c(n1)CC[C@H](CN[C@@H]1CCCSC1)C2 328629916 ITVLCRBBLGIBMM-VXGBXAGGSA-N 251.399 1.931 0 50 CDAA CC(C)c1noc(CN2C(=O)OC(C)(C)C2=O)n1 95518252 SULBCBCYHGYHSC-UHFFFAOYSA-N 253.258 1.450 0 50 CDAA OC[C@@H]1CN(Cc2ccc3ccccc3n2)CC[C@@H]1O 396793228 FCGIJNJOLCBPOI-BBRMVZONSA-N 272.348 1.410 0 50 CDAA CC1(c2ccccc2)CC(C(=O)N[C@@H]2COC[C@H]2O)C1 2325796337 JUACTYQKNFXSMH-AOHBCEAMSA-N 275.348 1.230 0 50 CDAA Cc1cc2ccc(C(=O)N3CC(c4nn[nH]n4)C3)cn2c1 2325802238 SNRFTRWBXSKGAL-UHFFFAOYSA-N 282.307 1.000 0 50 CDAA CC(C)N(Cc1ccccc1F)C(=O)[C@@H](C)c1nn[nH]n1 2325807706 NXIHNYDRYCXTNK-JTQLQIEISA-N 291.330 1.880 0 50 CDAA CC1(C)C[C@H]1CCC(=O)N[C@@]1(c2nn[nH]n2)CCSC1 2325807800 TUWGULFBJNZFMJ-RNCFNFMXSA-N 295.412 1.474 0 50 CDAA CCCNC(=O)[C@@H](CC)NC(=O)C(=O)[C@H](C)CC 2325811389 WEOSSNMDGYXXOE-NXEZZACHSA-N 256.346 1.023 0 50 CDAA Fc1ccc2[nH]c(=NC[C@@H]3CCn4cnnc4C3)oc2c1 2325816625 KVJTZAMKYSGLSR-SECBINFHSA-N 287.298 1.655 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)Cc1cc[nH]c(=N)c1 2325864091 GNKZNNIZUHXFDP-UHFFFAOYSA-N 288.307 1.098 0 50 CDAA CO[C@H]1C[C@H](NC(=O)c2cccn3nccc23)C1(C)C 879115871 MVIZUAKPEFQCEB-STQMWFEESA-N 273.336 1.878 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c[nH]1 913539441 VPZYSOFCPXHTJR-AOOOYVTPSA-N 253.733 1.587 0 50 CDAA Cc1ccccc1C(=O)NC(=S)NC[C@H]1CCCO1 301790 VFXPRXXTTBPVIT-LLVKDONJSA-N 278.377 1.778 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)n1cnnc1N 614141 KPXGJMJMEWUZAT-UHFFFAOYSA-N 266.688 1.541 0 50 CDAA O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CC1 2943388 JSFOCRBIZICUSG-UHFFFAOYSA-N 269.304 1.189 0 50 CDAA O=C(O)C[C@H](NC(=O)Cc1ccccc1)C(F)(F)F 3121676 DABUJMJYMRAKLO-VIFPVBQESA-N 275.226 1.751 0 50 CDAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccsc1 4502623 VVOOVGDTFVXKJK-SECBINFHSA-N 277.309 1.197 0 50 CDAA Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1Cl 4851708 FGXIUCVTXOWPQG-UHFFFAOYSA-N 277.777 1.732 0 50 CDAA O=C(NC[C@@H]1CCS(=O)(=O)C1)OC1CCCCC1 6293115 FVGDWYSFNDIDNO-JTQLQIEISA-N 275.370 1.480 0 50 CDAA CCOC(=O)[C@H](Oc1ccc(OC)cc1)C(C)=O 100219098 PIJKLMFBBJCAOC-GFCCVEGCSA-N 252.266 1.595 0 50 CDAA Cc1ccc(-c2noc([C@@H](C)NC(=O)C(=O)O)n2)cc1F 225608289 SHEIVKYOECFVRA-SSDOTTSWSA-N 293.254 1.446 0 50 CDAA NC[C@@H]1OCC[C@H]1c1nc(-c2ccccc2F)no1 414641200 SWKVGYMREMAIGD-KOLCDFICSA-N 263.272 1.707 0 50 CDAA Cc1oc(-c2ccco2)nc1CC(=O)NCC1(C)COC1 112617786 BIUIFKRMHSIIOI-UHFFFAOYSA-N 290.319 1.938 0 50 CDAA Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)CC(=O)N2 9138167 UDTFEFBNTGRHRZ-SSDOTTSWSA-N 290.710 1.480 0 50 CDAA CCN(CCOc1ccc(OC)cc1)C(=O)CN(C)C 55211763 QKCKDYQIYLYQLV-UHFFFAOYSA-N 280.368 1.484 0 50 CDAA Cc1ccccc1N1CCCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 102266457 SRAXSYTWOAFOMR-FVQHAEBGSA-N 285.435 1.973 0 50 CDAA Cc1nn(CCN2C[C@@H](C(=O)O)CC2=O)c(C)c1Cl 65396465 GPMHRZVJFDIPIS-VIFPVBQESA-N 285.731 1.086 0 50 CDAA CN(CCn1ccc2ccccc21)C(=O)CS(C)(=O)=O 67847441 UTLIMTMATZBCJQ-UHFFFAOYSA-N 294.376 1.144 0 50 CDAA Cc1cc(F)cc(C(=O)N2CCC[C@H]2C(=O)O)c1 135208805 SEGVYHGOLIKHRX-NSHDSACASA-N 251.257 1.823 0 50 CDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCC(=O)N1 176592411 PAWWZEHYTFHUFA-WCQYABFASA-N 287.363 1.132 0 50 CDAA O=C(COCC1CC1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253395596 FKACYHNCZGOSPW-RRFJBIMHSA-N 281.396 1.955 0 50 CDAA CN(CC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 22606728 KXNCUTKPUQVZRS-ZDUSSCGKSA-N 296.392 1.072 0 50 CDAA CNC(=O)c1cccnc1N(C)Cc1c(C)noc1C 301375933 VVGRRHNXJPTMII-UHFFFAOYSA-N 274.324 1.682 0 50 CDAA Cc1nc2c(N(C)CCN3CCCCC3=O)ncnc2o1 63883808 KWSBZHYDQBYDNS-UHFFFAOYSA-N 289.339 1.375 0 50 CDAA C[C@H](C(=O)N[C@H]1C[C@H]1c1ccccc1)N1C(=O)CCC1=O 252518045 XZQHPJXWUXWQLJ-WXHSDQCUSA-N 286.331 1.196 0 50 CDAA C[C@H](O)CN1CCN(C[C@@H](O)c2ccccc2F)C[C@@H]1C 229374223 SSGNZJTYUPBOKE-HEHGZKQESA-N 296.386 1.246 0 50 CDAA Cc1ncsc1CCCNC[C@]1(O)CCCNC1 77519370 XPNBXNLWIJSTRW-CYBMUJFWSA-N 269.414 1.088 0 50 CDAA CCCS(=O)(=O)NC(=O)[C@H]1CSc2ccccc21 123035131 LVNWVJKAAFXEAP-JTQLQIEISA-N 285.390 1.732 0 50 CDAA Oc1ccc(Cl)c(CN2CCOC[C@H](O)C2)c1Cl 77424122 YHBYBLQCOGOHNS-MRVPVSSYSA-N 292.162 1.892 0 50 CDAA C[C@@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccccn1 335125489 PREBKHIHJMOACO-SNVBAGLBSA-N 261.325 1.309 0 50 CDAA CCNS(=O)(=O)[C@H]1CCN(Cc2ncc(C3CC3)o2)C1 362359624 OBONSLZDCXFGEE-NSHDSACASA-N 299.396 1.066 0 50 CDAA CO[C@]1(C)C[C@H](N(C)C(=O)[C@H]2CC[C@@H](N)C2)C1(C)C 262628374 JPXDPODOXGTKQA-OZTPJHRESA-N 268.401 1.776 0 50 CDAA Cc1cnc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)[nH]1 215208354 VFVBIJHZVSTAIN-GFCCVEGCSA-N 285.303 1.370 0 50 CDAA CCn1ncnc1CN1CCO[C@H](c2cccnc2)C1 216192345 JUVQMMKOTUUXCK-ZDUSSCGKSA-N 273.340 1.267 0 50 CDAA O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2cnc[nH]2)C1 335704406 IFZWEXJSQBSIMS-RISCZKNCSA-N 279.290 1.996 0 50 CDAA O[C@@H]1CN(c2cc(C(F)(F)F)nc3ncnn23)CC12CC2 368799209 IFZARLFITKFOLS-MRVPVSSYSA-N 299.256 1.104 0 50 CDAA C[C@@H](NC(=O)c1csc(-c2ccccn2)n1)C(=O)O 156462767 DWBWKKCPBNPYIH-SSDOTTSWSA-N 277.305 1.408 0 50 CDAA COC(=O)CC1(CSc2nc3cncnc3[nH]2)CC1 440586642 DJXDTLAHYLDWCT-UHFFFAOYSA-N 278.337 1.788 0 50 CDAA CN(Cc1nnnn1CC1CCOCC1)[C@@H]1CCSC1 369735911 KLYLLVBUCDLKCJ-GFCCVEGCSA-N 297.428 1.037 0 50 CDAA O=C(CCc1ccc(=O)[nH]n1)N1CCC[C@@H]1c1ccccn1 72410407 WIDWMXODVFAKFV-CQSZACIVSA-N 298.346 1.461 0 50 CDAA O=C(c1cn(CC2CC2)nn1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 333114472 SWUVUJLIXTWKJN-XDQVBPFNSA-N 284.363 1.582 0 50 CDAA O=C1N[C@@H](CO)C(=O)N1c1cccc(-c2cccs2)c1 445906579 DQQUEPCXMZOZOE-NSHDSACASA-N 288.328 1.832 0 50 CDAA O=C(NCC1(CO)CCC1)[C@@H]1CCc2cccnc21 333381556 KPUGTGOKTLWSGM-GFCCVEGCSA-N 260.337 1.390 0 50 CDAA COc1cccc(Cl)c1C(=O)N1CC[C@H](C(=O)O)C1 237265290 VGMPNIUAXWHUCJ-QMMMGPOBSA-N 283.711 1.895 0 50 CDAA CC(=O)N[C@@]1(c2ccccc2)NC(=O)c2ccccc21 71771805 YKAGSNJBOLPVNW-INIZCTEOSA-N 266.300 1.767 0 50 CDAA CN(C)CCNC(=O)Cc1c[nH]c2cc(F)ccc12 130994057 ZQWOEYAPTIPREZ-UHFFFAOYSA-N 263.316 1.527 0 50 CDAA COc1ccc([C@H](NC(=O)[C@@H]2CCCOC2)C(=O)O)cc1 263125473 FKXPNZDPPMQKQT-YPMHNXCESA-N 293.319 1.364 0 50 CDAA C[C@H]1CCN(C(=O)c2cc([C@H]3CCNC3)[nH]n2)CC1(C)C 335027771 JPQUQQVFUWAGSA-RYUDHWBXSA-N 290.411 1.995 0 50 CDAA CCc1csc(CCNC(=O)[C@@H](C)Cn2cccn2)n1 223561870 QEXCHOZDZMWREJ-NSHDSACASA-N 292.408 1.897 0 50 CDAA Cc1oc2c(c1C(=O)N[C@H]1CCOC1)C(=O)CCC2 220620389 WKWHCFRARHPKSR-VIFPVBQESA-N 263.293 1.626 0 50 CDAA CCc1ocnc1C(=O)N1CCOc2cc(O)ccc2C1 286192481 LROSUNCAUYOXCY-UHFFFAOYSA-N 288.303 1.977 0 50 CDAA Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cn1 47529349 VNYNGBHCEXRJMI-LLVKDONJSA-N 284.319 1.412 0 50 CDAA C[C@H]1CC(=O)c2cc(C(=O)NC3CC3)c(=O)[nH]c2C1 49551686 UVWCJFMOUOCOKF-SSDOTTSWSA-N 260.293 1.032 0 50 CDAA C[C@H](NC(=O)N1CC(c2ccncc2)C1)c1cnn(C)c1 426746033 ANIINTXETSUQLJ-NSHDSACASA-N 285.351 1.685 0 50 CDAA C[C@@H](C(=O)NCCc1nnc(N)s1)c1ccc(O)cc1 223878872 OTEALDHHGMUWAA-MRVPVSSYSA-N 292.364 1.288 0 50 CDAA CCCc1cc(C(=O)NCCc2csc(N)n2)no1 82109714 REAJCENHFBCRQD-UHFFFAOYSA-N 280.353 1.638 0 50 CDAA CCOc1ccccc1OCC(=O)N(C)CCN(C)C 80387777 NKVRPTLTRNSUJS-UHFFFAOYSA-N 280.368 1.484 0 50 CDAA COc1ccnc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c1 426726951 VHWGDFNKWBITOT-LLVKDONJSA-N 288.351 1.722 0 50 CDAA Cn1c(=O)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc2ccccc21 222503250 YWFZBPFVQATHJM-ZLDLUXBVSA-N 298.342 1.446 0 50 CDAA O=C1NCCCN(C(=O)c2cc[nH]c2)[C@@H]1Cc1ccccc1 294460491 QJDDMDSTNYYECR-OAHLLOKOSA-N 297.358 1.588 0 50 CDAA Cc1nc2ccccn2c1CC(=O)NC[C@@H]1C[C@H](F)CN1 426701637 PGNVIKOURXWVGB-RYUDHWBXSA-N 290.342 1.001 0 50 CDAA COc1ccccc1-n1cc(C(=O)N2CCC2)cn1 91793163 GGVZQSBQBLHRBH-UHFFFAOYSA-N 257.293 1.727 0 50 CDAA CNC[C@H]1CCN(C(=O)Cc2c(OC)cccc2OC)C1 179002590 GWSIEJNJVSQELF-GFCCVEGCSA-N 292.379 1.314 0 50 CDAA CC[C@@H](C(=O)N1CCC2(CC1)CNC(=O)C2)n1cccc1 426538481 WKGUDUAETCKSQX-ZDUSSCGKSA-N 289.379 1.568 0 50 CDAA CO[C@@H]1CCN(C(=O)C2CCN(C(C)C)CC2)C1 335291463 DYNBYPJXWBVHAY-CYBMUJFWSA-N 254.374 1.354 0 50 CDAA Cc1n[nH]c(C)c1-c1nccc(N2CC[C@@H](O)C2)n1 97307182 ODHJQCYOGFIOOM-SNVBAGLBSA-N 259.313 1.055 0 50 CDAA CCc1cnc(N)nc1NCCCc1csc(N)n1 95353694 QUUDPYFJXFSLEO-UHFFFAOYSA-N 278.385 1.705 0 50 CDAA O=C(NC[C@@H](CO)Cc1ccco1)c1ccc2nccn2c1 91708154 LAWMECBZBKCULP-LBPRGKRZSA-N 299.330 1.508 0 50 CDAA CN(C)[C@@H](C(=O)N1CCC(CO)CC1)c1ccc(F)cc1 95370886 SLIXJQAKYCGGRT-OAHLLOKOSA-N 294.370 1.659 0 50 CDAA Cc1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O 96027222 JPUGHNUHHMPVIA-UHFFFAOYSA-N 281.396 1.785 0 50 CDAA Cc1cc(C)c2c(N3CCC(O)CC3)ncnc2n1 95382810 YPQFKUDKBPIOCF-UHFFFAOYSA-N 258.325 1.603 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(Cc3ccc(C(F)(F)F)nc3)C[C@H]21 534586738 XVOXWNMHDONRRO-JZYVYDRUSA-N 286.253 1.863 0 50 CDAA C[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@@]1(O)C1CCC1 92028260 MCUPPPDUVUJIMN-PXAZEXFGSA-N 299.374 1.957 0 50 CDAA CC(=O)N1CCN([C@@H](C(=O)O)c2cc(F)ccc2C)CC1 95356659 FBYLQZFLTSHOHH-CQSZACIVSA-N 294.326 1.424 0 50 CDAA O=C1[C@H]2C[C@H]2[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 247710135 IPILPBGNJMMELT-WCBJTDJXSA-N 293.322 1.813 0 50 CDAA CC[C@@H](C)N(CC(=O)O)C(=O)CN1CCC[C@H]1C 299739084 KISGEKUHHJGZSH-GHMZBOCLSA-N 256.346 1.182 0 50 CDAA C[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)[C@H]1CN 299739582 QIBIWGANOSNCFI-SNPRPXQTSA-N 275.396 1.662 0 50 CDAA CC(=O)N1CCC[C@@H](Nc2ncccc2-c2ncon2)C1 534672472 DPZGTKSNJDCTEE-LLVKDONJSA-N 287.323 1.554 0 50 CDAA Cc1cccc(N2CC[C@@H](CNC(=O)CCC(=O)O)C2)c1 299761081 QXQJJLXNJCVQLO-ZDUSSCGKSA-N 290.363 1.802 0 50 CDAA C=Cc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1 299800650 XFBWKZSLVVLBBG-CYBMUJFWSA-N 262.309 1.867 0 50 CDAA CCn1cc(C(=O)N[C@H](C)c2nc(C3CC3)no2)cn1 299763977 ZVDREXCITGKKTL-MRVPVSSYSA-N 275.312 1.654 0 50 CDAA Cc1ccc([C@@H](O)CNC(=O)Cn2ccnc2C)cc1 296928094 AXJNFEJEUIKMLE-AWEZNQCLSA-N 273.336 1.350 0 50 CDAA Cc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)o1 299764033 QVGKVKQVRONBIB-KBPBESRZSA-N 274.324 1.525 0 50 CDAA O=C(Nc1nn[nH]n1)[C@H](c1ccccc1)n1cccc1 575443391 VZQRRUYQRXCYKI-NSHDSACASA-N 268.280 1.229 0 50 CDAA CN1CCC[C@H]1C(=O)N1CCC(N2CCSCC2)CC1 823783440 UMXQSLWMIUGZIO-AWEZNQCLSA-N 297.468 1.120 0 50 CDAA CCCOC[C@H]1CCN(C(=O)CSc2n[nH]c(C)n2)C1 584895191 IZLFXJDWRHIWIZ-NSHDSACASA-N 298.412 1.480 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)Cc1cccnc1 584891318 CROYVIFRUDSAJI-UHFFFAOYSA-N 275.396 1.957 0 50 CDAA O=C1CC[C@@H](N2CCc3nocc3C2)CCN1CC1CC1 670440217 KHFPKXGMLZSGPL-CQSZACIVSA-N 289.379 1.824 0 50 CDAA C[C@@H]1C[C@H](N)CN[C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 757213056 NNGYGHVINMQSEQ-NMUGVGKYSA-N 265.323 1.242 0 50 CDAA C=CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 1346100103 NQHWKZVZHFHETL-UHFFFAOYSA-N 260.293 1.284 0 50 CDAA Cc1ncc(CN[C@H](C(N)=O)c2ccc(Cl)cc2)n1C 1434517401 JDFSADDRDDZSSN-ZDUSSCGKSA-N 292.770 1.698 0 50 CDAA CC(C)(C)c1coc(CNC(=O)NCc2ccon2)n1 1548451827 HVUKNLDMDPRTDQ-UHFFFAOYSA-N 278.312 1.960 0 50 CDAA COc1cccc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)c1C 1553511436 TTZQNFNOBMHPCQ-BBRMVZONSA-N 289.379 1.636 0 50 CDAA COCCN1CC[C@H](CNCc2cnccc2Cl)C1 952869598 WJAMQSAAWQICAX-GFCCVEGCSA-N 283.803 1.793 0 50 CDAA CCC1(C(=O)NCCCNS(C)(=O)=O)CCCCC1 170596044 KHYARJDSTUHWCP-UHFFFAOYSA-N 290.429 1.402 0 50 CDAA C[C@H](Cc1ccccc1F)NCC(=O)N1CCOCC1 186743217 XHVUZTONHINGKV-GFCCVEGCSA-N 280.343 1.205 0 50 CDAA Cc1ncc(CN(C)CC(C)(C)CN2CCOCC2)o1 583651615 PTXJCQGDTIEERO-UHFFFAOYSA-N 281.400 1.773 0 50 CDAA Cc1nn(-c2ccccc2)cc1CNC1(C(N)=O)CC1 191487824 MUJAGWJOQCKAOC-UHFFFAOYSA-N 270.336 1.288 0 50 CDAA COc1ccc(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)cn1 1615738919 ARNJDVZSKMQXDA-HOTGVXAUSA-N 299.374 1.521 0 50 CDAA Cc1nonc1CC(=O)N1CCSC[C@@H]1C(C)(C)C 1616031849 DHBDBSGCPKNGGT-LLVKDONJSA-N 283.397 1.911 0 50 CDAA O=C(N1CCCCCC1)C1([C@]2(O)CCCNC2)CCC1 1616035967 KEOJTFTWXIGLNC-INIZCTEOSA-N 280.412 1.674 0 50 CDAA O=C(NC[C@H]1Cc2ccccc2CN1)c1cnc(C2CC2)[nH]1 1649963099 QQGNMBXKXPUUSG-CQSZACIVSA-N 296.374 1.731 0 50 CDAA CN1C(=O)NCC12CN(Cc1nc3ccccc3s1)C2 1857689796 YGLWSKUHRTWRPY-UHFFFAOYSA-N 288.376 1.506 0 50 CDAA CCCN1CC[C@@H](Nc2nc(N)nc(C)c2Cl)C1 1506428408 PSVKWUXWVSJMFY-SECBINFHSA-N 269.780 1.917 0 50 CDAA O=C(Cn1cnnc1)NCc1ccc(C(F)(F)F)cc1 1857683787 NJTVVPOTNNFOSD-UHFFFAOYSA-N 284.241 1.613 0 50 CDAA Cc1ccncc1C(=O)Nc1nnc(CCN(C)C)s1 1529173533 YCLXKAPJLGZELG-UHFFFAOYSA-N 291.380 1.598 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2ccns2)CC12CCOCC2 1800411963 RJPLMKUPILFLKN-VIFPVBQESA-N 296.348 1.097 0 50 CDAA COc1cc([C@H](N)CC(=O)O)cc(OC)c1OC 2387380 UMIWUEOAUPOOEJ-MRVPVSSYSA-N 255.270 1.187 0 50 CDAA biogenic,in-vitro Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@@H]1CC=CCC1 1704312299 OYFNXQMOIAZFJQ-CQSZACIVSA-N 290.411 1.965 0 50 CDAA Cc1csc(CCn2c(C)cc(O)cc2=O)n1 1547139635 WLFNBJJWIWZBFU-UHFFFAOYSA-N 250.323 1.870 0 50 CDAA Cc1cc(N2CC[C@@]3(CNC(=O)CO3)C2)c2ccccc2n1 1800410142 OMJAIVCXJSRLGU-QGZVFWFLSA-N 297.358 1.639 0 50 CDAA O=S(=O)(CC1CCC1)N1CCC[C@H]1[C@@H]1CCCO1 334231480 LLYYYGQJGYGYMU-STQMWFEESA-N 273.398 1.760 0 50 CDAA CCCCCOCC(=O)N1CCC[C@H]1c1nc[nH]n1 585128124 SFMDYYKBLMZROS-NSHDSACASA-N 266.345 1.675 0 50 CDAA Cc1ccc(O)cc1C(=O)N1C[C@@H](C)N(C)C[C@H]1C 585135289 AGBYZSGOMGHARG-VXGBXAGGSA-N 262.353 1.865 0 50 CDAA CC(C)Cn1cc(NC(=O)N[C@]2(C)CCOC2)cn1 164019623 OXFBJIQTRIRTGY-CYBMUJFWSA-N 266.345 1.840 0 50 CDAA CNCc1nnc(NCC2(N(C)C)CCCCC2)o1 1772705404 MWAOPGUICINUIU-UHFFFAOYSA-N 267.377 1.465 0 50 CDAA COc1cc(/C=C2\SC(=N)NC2=O)cc(OC)c1 5007272 PTRJKBPNFGCUAW-YHYXMXQVSA-N 264.306 1.842 0 50 CDAA CC(=O)N1CCC(C2CCN(C(C)=O)CC2)CC1 5855369 NSFRPXZLYNUAHL-UHFFFAOYSA-N 252.358 1.503 0 50 CDAA O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccco1 12457608 MQKSLEDHMAEGGK-AWEZNQCLSA-N 298.342 1.853 0 50 CDAA CC(=O)NCCC(=O)N1CCO[C@@H](CCCC(C)C)C1 15067027 SSZVIMVYRCXSIP-AWEZNQCLSA-N 284.400 1.566 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCn3ncnc3C1)C2 1857667016 LNRSPQJZZRVDME-LLVKDONJSA-N 283.335 1.086 0 50 CDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1Cc1cc(C(C)(C)C)n[nH]1 1857685840 WTXWKBNIGNGABH-WCQYABFASA-N 290.411 1.902 0 50 CDAA CCc1cnc(C)nc1N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857721717 CEWUZTWFNZGDGY-SWHYSGLUSA-N 276.384 1.621 0 50 CDAA CC(C)c1nc([C@@H]2CCCCN2Cc2nnnn2C)n[nH]1 408473675 AMADDGCMFFDNKZ-JTQLQIEISA-N 290.375 1.179 0 50 CDAA O=C(Cc1ccc(-n2cnnc2)cc1)N1CC[C@@H]1C1CC1 521427877 YWSGJBVKSONFRY-OAHLLOKOSA-N 282.347 1.821 0 50 CDAA O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1cncc(F)c1 230222078 TZQMEXXJKYCBPT-NGERZBJRSA-N 264.300 1.358 0 50 CDAA O=C(NC1(C(=O)O)CC1)c1cccc(N2CCCC2=O)c1 237983026 FCBJZXBEBDLZSP-UHFFFAOYSA-N 288.303 1.160 0 50 CDAA C[C@H]1C(=O)N=C(CCNC(=O)CC2=CCCCC2)NC1=O 128684676 LMUVNFDNSYHKRK-UHFFFAOYSA-N 291.351 1.074 0 50 CDAA Cc1ccccc1-c1noc(=O)n1CCCC(=O)N(C)C 241869055 SUBFKEPZYJINFZ-UHFFFAOYSA-N 289.335 1.680 0 50 CDAA C[C@H]1CN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 243893015 ANKWUKCNMZCSMB-DBWAAGBOSA-N 297.439 1.909 0 50 CDAA COC(=O)[C@H](F)CN1CCC(Oc2ccc(C)cn2)CC1 252502116 UMTABSJCSFPFPO-CYBMUJFWSA-N 296.342 1.744 0 50 CDAA CCc1oc(C(=O)N2CCOCC[C@@H]2C)cc1C(=O)O 375026682 CYHCYMOGUTVFLN-VIFPVBQESA-N 281.308 1.791 0 50 CDAA CCC1(CNS(=O)(=O)CC[C@@H]2CCOC2=O)CC1 585115766 RGRAMQWLNSCQLF-JTQLQIEISA-N 275.370 1.049 0 50 CDAA C[C@@H](CNC(=O)c1cccc([C@@H]2CCOC2)c1)C(=O)O 263301892 DJWHIKPRRPGXDV-GXFFZTMASA-N 277.320 1.641 0 50 CDAA C[C@H]1C[C@H](C(=O)N2CC3(CNC(=O)O3)C2)CC(C)(C)C1 496994609 GQYZRCPDHDPHMR-QWRGUYRKSA-N 280.368 1.770 0 50 CDAA O=C(NCc1ccc2c(c1)CNC2)[C@H]1CC[C@@H](C(=O)O)C1 386453243 HEBKLMSGDVNQES-NWDGAFQWSA-N 288.347 1.407 0 50 CDAA Cc1nc[nH]c1C(=O)N1CCc2occc2[C@@H]1C(=O)O 910203222 RWZTXXSTGZICRB-LLVKDONJSA-N 275.264 1.135 0 50 CDAA CNC(=O)COc1ccc([C@@](C)(O)[C@H]2CCCN2C)cc1 818024337 KTMMCYBDXSJKEY-GDBMZVCRSA-N 292.379 1.113 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@]2(F)CCOC[C@@]2(C(=O)O)C1 1857778243 RGMPGYLZCLLJFQ-OLZOCXBDSA-N 289.303 1.437 0 50 CDAA O=C(Nc1ccc2ncccc2c1)[C@@]12CO[C@@H](CN1)C2 1875277333 YYWJKYGICZLUEH-IUODEOHRSA-N 269.304 1.304 0 50 CDAA C[C@@H]([C@@H](O)C(=O)N[C@@H]1CCc2ccccc21)N1CCCC1 1875316223 BNKSVUXGFXJUPE-APHBMKBZSA-N 288.391 1.635 0 50 CDAA O=C(N[C@@H]1CNC[C@H]1c1ccccc1)c1cccnc1O 884432118 SLZARXHZTPOCTN-UONOGXRCSA-N 283.331 1.273 0 50 CDAA O=C(NCC[C@@H]1CCCCO1)[C@@H]1C[C@H]2C=C[C@H]1NC2 888096309 AKVVOHRWIDBSSP-XJFOESAGSA-N 264.369 1.226 0 50 CDAA CN1C(=O)N[C@H]2c3ccccc3O[C@@]13CCOC[C@H]23 1776005606 LMWRKTRGNRKYBF-SCDSUCTJSA-N 260.293 1.508 0 50 CDAA N[C@H](C(=O)N1CC[C@H]2OCCC[C@H]2C1)c1ccccc1 252586074 NGQVWZPTWQUYRU-ZNMIVQPWSA-N 274.364 1.714 0 50 CDAA O=C1CC[C@@H](NC(=O)CC2CCCCCC2)C(=O)N1 153422800 SVHBXTAPDMYEAX-LLVKDONJSA-N 266.341 1.268 0 50 CDAA FC(F)(F)[C@H]1CN(Cc2nnc(C3CC3)o2)CCO1 71748940 PPZOHNJPFXUJGU-MRVPVSSYSA-N 277.246 1.710 0 50 CDAA COCCC1CCN(C(=O)[C@H]2CCCNCC2)CC1 534663382 SMNJLFFCXBLSTK-AWEZNQCLSA-N 268.401 1.651 0 50 CDAA O=C(CN1CCC[C@H]2COCC[C@H]21)N1CCCCC1 334618568 RRPRJHGLDNMNEL-UONOGXRCSA-N 266.385 1.500 0 50 CDAA CN=c1[nH]c(C)cc(=N[C@H]2COc3ccccc3C2)[nH]1 380819815 BJDKHBXCYJEBJV-GFCCVEGCSA-N 270.336 1.086 0 50 CDAA COc1ccc(CN(C)C[C@H]2CCOC2)cc1C(=O)O 399663614 LYZIWBDJUGFDRC-GFCCVEGCSA-N 279.336 1.862 0 50 CDAA Cc1ccc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)c(O)c1 829362952 REQFPAOKNQLCCR-VIFPVBQESA-N 291.225 1.836 0 50 CDAA O=C(Cn1nnc2ccccc21)N1C[C@H]2C=C[C@H]1C2 1471511779 FZSFUUBJUSUHBX-QWRGUYRKSA-N 254.293 1.218 0 50 CDAA O=C(Cc1c[nH]c2nccc(Cl)c12)N[C@@H]1CCNC1 2325795304 XSTLPHOQXZQZBV-SECBINFHSA-N 278.743 1.237 0 50 CDAA Cn1ccc(-c2cnn([C@@]3(C(=O)O)C[C@@H]4C[C@@H]4C3)c2)n1 2325805180 WLPGAYDTNIRMGW-WDAIWFPHSA-N 272.308 1.493 0 50 CDAA c1ccn2c(-c3nccc(=NC4CCNCC4)[nH]3)cnc2c1 2325807661 KXMDITVKKBBPQO-UHFFFAOYSA-N 294.362 1.377 0 50 CDAA C[C@@]1(O)CCN(CCc2ccc(F)cc2)C[C@@H]1O 96163642 AYVYKAJJSZYAEF-UONOGXRCSA-N 253.317 1.186 0 50 CDAA CCCC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 150862373 AFCJPYDMSMNOTI-UHFFFAOYSA-N 278.327 1.797 0 50 CDAA CCOC(=O)N1N=C(CC)C[C@]1(O)c1ccncc1 302331 CPBRPNAYDGKNOC-ZDUSSCGKSA-N 263.297 1.855 0 50 CDAA Cc1occc1C(=O)NN1C(=O)c2ccccc2C1=O 358402 LBWSGHDXUQYZBF-UHFFFAOYSA-N 270.244 1.529 0 50 CDAA CC(=O)OC[C@H](COc1ccccc1)OC(C)=O 1656266 MFUHTALWGBAVOL-CYBMUJFWSA-N 252.266 1.560 0 50 CDAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cnc(C)s1)C2 2356148400 UPVTXBRQBJTCEC-GWCFXTLKSA-N 282.365 1.187 0 50 CDAA O=S(=O)(Cc1ccc(Cl)cc1)N1CCOCC1 2877280 FBLQYWNDGKICCK-UHFFFAOYSA-N 275.757 1.502 0 50 CDAA Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 2943645 ZZAREBGNFLHVQO-LBPRGKRZSA-N 262.309 1.229 0 50 CDAA CCN(CC)S(=O)(=O)c1cc(OC)ccc1OC 2985590 QJJTULIRQGNCQA-UHFFFAOYSA-N 273.354 1.734 0 50 CDAA CC(C)c1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1 2998591 DGPOPRHPFHVQCS-JTQLQIEISA-N 264.325 1.246 0 50 CDAA CCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccc(OC)cc1OC 4235153 VXQYLXZYPLXLNR-BXUZGUMPSA-N 293.319 1.698 0 50 CDAA O=C(/C=C/c1c(F)cccc1Cl)Nc1nnn[nH]1 4901924 WJQWQZIIQWOJOJ-SNAWJCMRSA-N 267.651 1.644 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)CN2C[C@@H](C)OCC2(C)C)C1 222116820 DZAPLTOPLKIUME-HZSPNIEDSA-N 282.428 1.990 0 50 CDAA COC(=O)c1nc(NC(=O)c2ccccc2Cl)n[nH]1 6372155 HTNXZTLBVIXWCB-UHFFFAOYSA-N 280.671 1.497 0 50 CDAA C[C@H]1CCN(C(=O)N[C@H](C)CO[C@@H]2CCOC2)C[C@@H]1C 245859370 FDIFHRRKYOWKIX-IGQOVBAYSA-N 284.400 1.868 0 50 CDAA COC(=O)CSc1nc(C)c(Br)c(O)n1 8767745 VSHIUJBPTYIVEP-UHFFFAOYSA-N 293.142 1.518 0 50 CDAA c1ccc(OCc2nnn(CC[C@@H]3CCCO3)n2)cc1 225532472 QETNBPCYQJTACJ-ZDUSSCGKSA-N 274.324 1.821 0 50 CDAA CC(C)[C@@H](Nc1nccc(C(F)(F)F)n1)C(N)=O 225871998 GJGHWQUDSZMESE-SSDOTTSWSA-N 262.235 1.417 0 50 CDAA CC(C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621187 BAGRJQGQOKBQBA-UHFFFAOYSA-N 272.304 1.401 0 50 CDAA biogenic CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2nc(C)c(C)o2)C1 347999589 ABAHXYZFGRLGHF-GJZGRUSLSA-N 293.411 1.977 0 50 CDAA Cc1nc2ncc(-c3ccnc(N4CCCC4)n3)c(C)n2n1 54202067 OHFQOQLHJYINLB-UHFFFAOYSA-N 295.350 1.798 0 50 CDAA CC[C@H](CO)N1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 247853802 XIIZVMWTCZSXIW-HYVNUMGLSA-N 290.407 1.033 0 50 CDAA COc1ccccc1-c1ccc(NC[C@@H](C)O)nn1 67788514 LUFSICJRCIPRNO-SNVBAGLBSA-N 259.309 1.945 0 50 CDAA Cc1ccc(C)c([C@@H]2CN(C(=O)CCN)[C@@H](C)CO2)c1 119066148 LKEVFEUBNCOJDV-ZFWWWQNUSA-N 276.380 1.941 0 50 CDAA Cc1nc([C@H](C)N2CCN(C(=O)NC(C)(C)C)CC2)no1 351617847 CXMWAYLUQBFHNO-JTQLQIEISA-N 295.387 1.565 0 50 CDAA COc1ncccc1-c1ccc(S(N)(=O)=O)cc1F 67689022 BOWLJMNTRCJUSI-UHFFFAOYSA-N 282.296 1.544 0 50 CDAA COc1ccc(C(=O)N2CCC(c3ncc[nH]3)CC2)cn1 299519386 LDHKHKZLFNDWHF-UHFFFAOYSA-N 286.335 1.833 0 50 CDAA C[C@@H]1OCC[C@@H]1NC(=O)N1CCCC[C@H]1CCO 252486600 MFTPGFWDBBLISC-SRVKXCTJSA-N 256.346 1.110 0 50 CDAA O=C1CCN(C(=O)CSc2ccc(Cl)cc2)N1 1402379 LKQVZRPJVIKVPN-UHFFFAOYSA-N 270.741 1.696 0 50 CDAA COC(=O)c1ccc(N2CCO[C@@H](CCN(C)C)C2)nc1 39460768 PJPVGYXFEQOKKQ-ZDUSSCGKSA-N 293.367 1.025 0 50 CDAA COc1cccc(OC)c1Cn1cnc2ncccc2c1=O 32517798 MUESGIZRHWDOEO-UHFFFAOYSA-N 297.314 1.857 0 50 CDAA Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc2cc[nH]c2n1 329290013 QGWYRLOGEVQIGI-NSHDSACASA-N 296.334 1.728 0 50 CDAA N#Cc1c(N)nc2c(c1-c1ccc(CO)o1)COCC2 71575632 BTYXXQZRZLSSEM-UHFFFAOYSA-N 271.276 1.360 0 50 CDAA COc1ccc(OC)c(C(=O)N(C)C[C@@H]2CCN(C)C2)c1 354955292 YJXYLMSXYJTWNR-GFCCVEGCSA-N 292.379 1.728 0 50 CDAA CO[C@@H](CNC(C)(C)C)c1ccc(O)c(CO)c1 34605306 UMHASVFLCHGDPW-ZDUSSCGKSA-N 253.342 1.960 0 50 CDAA in-vitro CN1CC[C@H]2CN(C(=O)NCCc3ccccc3)C[C@H]21 77459992 TUDUMYDCQDTUKT-LSDHHAIUSA-N 273.380 1.575 0 50 CDAA CC1(C)CN(C(=O)c2cc(Cc3ccccc3)n[nH]2)CCN1 253415371 SAEIXFNRUZYVOM-UHFFFAOYSA-N 298.390 1.825 0 50 CDAA O=C([C@H]1CC12CCNCC2)N1CCc2ccccc2C1 70251968 PYJZIIIDYDGEIR-OAHLLOKOSA-N 270.376 1.961 0 50 CDAA CC(C)OC1CC(N[C@@H]2CCCN(c3ccncn3)C2)C1 375286646 KHMIRVADDSNVQI-WLYUNCDWSA-N 290.411 1.991 0 50 CDAA Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C)CC2)c1C 35973969 QEOPBVQDPXFSQF-UHFFFAOYSA-N 296.436 1.856 0 50 CDAA Cc1nn(C)c2ncnc(NCCN3CCCCC3=O)c12 72421726 PWMFVBVQLIWLFN-UHFFFAOYSA-N 288.355 1.096 0 50 CDAA COc1cc(C(=O)N2CCc3c(cccc3OC)C2)on1 153979406 XODDFFFOYCYTQF-UHFFFAOYSA-N 288.303 1.890 0 50 CDAA Cc1ncc(C(=O)NC2(CC(=N)O)CCC2)c(C)n1 332449300 LYHKEUNIMGKMLB-UHFFFAOYSA-N 262.313 1.671 0 50 CDAA Cc1nnc(Cn2ncc(N3CCCCC3)cc2=O)s1 72133420 UVVZTBXKMSMABX-UHFFFAOYSA-N 291.380 1.442 0 50 CDAA CC[C@@H](C)[C@H](OC)C(=O)N1CC(=O)Nc2cnccc21 332705279 WSNLHNKMRIVGRU-RNCFNFMXSA-N 277.324 1.428 0 50 CDAA CO[C@H]1CN(C(=O)c2cccc3cnccc23)CC[C@H]1N 71405868 CFWFSKBLNDOLKP-CABCVRRESA-N 285.347 1.423 0 50 CDAA O=C(NC1CCNCC1)c1nn(-c2ccccc2)cc1O 262361817 JCSCJTHXHKGXRD-UHFFFAOYSA-N 286.335 1.060 0 50 CDAA COc1ccccc1/C=C/CN1C[C@H](F)C[C@H]1C(N)=O 284522503 FADHRYVODKSZMU-PBYRWIMMSA-N 278.327 1.606 0 50 CDAA COC(=O)CNC(=O)[C@H](C)N1CC[C@@H](C)C[C@H](C)C1 241684888 QGCGQDCTDKFIJT-WOPDTQHZSA-N 270.373 1.032 0 50 CDAA O=C(CCN1C[C@@H]2CC[C@H]1C2)N1CCn2cncc2C1 72169973 GMAXEFOYVPWIGE-OLZOCXBDSA-N 274.368 1.100 0 50 CDAA C[C@@H]1CCC[C@H]2CCCN(CCN3CCNC3=O)[C@@H]21 242100102 WEIVKEJJXIIWAS-HZSPNIEDSA-N 265.401 1.912 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2ccc(N(C)C(C)C)nc2)C1 284645614 UUXGTJDEMQPXJF-LSDHHAIUSA-N 293.411 1.508 0 50 CDAA CN(C)Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cn1 339285038 SENSTLHDVWMLPG-OAHLLOKOSA-N 290.411 1.309 0 50 CDAA Cc1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2)n1 44394468 VUTVGKJSWLPBJO-UHFFFAOYSA-N 277.711 1.844 0 50 CDAA Cc1cc(C)c(CNC(=O)c2cccc(OCCN)c2)cn1 426602342 DRJZAWHPSZZUOR-UHFFFAOYSA-N 299.374 1.966 0 50 CDAA O=C(NCCn1cc(Cl)cn1)[C@H](O)c1ccc(F)cc1 222992330 KCDXBFCSEGJVDX-GFCCVEGCSA-N 297.717 1.525 0 50 CDAA CNC(=O)COc1ccc([C@@H]2c3ccccc3C[C@H]2O)cc1 82137001 VAJCWCZJYZLPOB-SJLPKXTDSA-N 297.354 1.860 0 50 CDAA CCCC(=O)N1CCC[C@@H]1C(=O)N1CCn2cncc2C1 290878403 DJOIKHPPJPBNCH-CYBMUJFWSA-N 290.367 1.016 0 50 CDAA COc1cc(F)c(C(=O)N2CC[C@H](CN)C2)cc1OC 178522718 WXLVUMWNQLILFB-SECBINFHSA-N 282.315 1.264 0 50 CDAA C[C@@H](Oc1ccccc1Cl)C(=O)N1CC[C@H](CN)C1 178546961 AHHAHBNKYVELPQ-GHMZBOCLSA-N 282.771 1.915 0 50 CDAA Cc1cc(CC(=O)N(C)Cc2noc(C(C)C)n2)on1 91858886 LBADMJIKDCPMEC-UHFFFAOYSA-N 278.312 1.691 0 50 CDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc[nH]c1C)C2 91468535 DQPDPQKTPUPXMB-QWHCGFSZSA-N 289.379 1.796 0 50 CDAA Cc1nc(C)c(C)c(NC[C@H](O)CN2CCCCC2)n1 91365225 NJHFZWVGXSMXKD-AWEZNQCLSA-N 278.400 1.661 0 50 CDAA CCC[C@@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)C(=O)O 236885102 WACOIAFZIZMDLU-LLVKDONJSA-N 296.298 1.767 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)C[C@@H]1CCCN1C 97522559 PVLVAEWMCWSMSI-LBPRGKRZSA-N 288.351 1.666 0 50 CDAA COC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1=O 96024996 QGBUILFJIXXYKZ-QMMMGPOBSA-N 257.286 1.333 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCCn1ccnc1 426580711 IVCICWBQVRNAMM-LLVKDONJSA-N 261.329 1.156 0 50 CDAA NC(=O)Cn1cc(-c2cccc(-c3ccn[nH]3)c2)cn1 96166979 NNTRJHIPWBKXRG-UHFFFAOYSA-N 267.292 1.426 0 50 CDAA Cc1cnn(CCNC(=O)[C@@H]2COc3ccccc3C2)c1 91808764 USCLQZFXWACDMO-AWEZNQCLSA-N 285.347 1.559 0 50 CDAA O=C(NC1CCOCC1)c1cn2ccsc2n1 91877246 QUNLVELMQUZULD-UHFFFAOYSA-N 251.311 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280.397 1.581 0 50 CDAA Cc1cc(N2C(=O)N[C@@](C)(Cn3cccn3)C2=O)cc(C)n1 1352146690 HKTCPSQSHGQWST-HNNXBMFYSA-N 299.334 1.410 0 50 CDAA N[C@H]1CN(C(=O)NCCC(F)(F)F)CC12CCC2 1553457492 IPNMWFDOIQVUTD-QMMMGPOBSA-N 265.279 1.462 0 50 CDAA OC[C@@H]1CCCCN1CCNCc1cccc(O)c1 952971847 GMRNYCABTXYOEJ-AWEZNQCLSA-N 264.369 1.329 0 50 CDAA C[C@@H](Cn1cncn1)C(=O)NCCCc1ccco1 952983352 PGMYFDBSABLJDO-NSHDSACASA-N 262.313 1.256 0 50 CDAA CS(=O)(=O)[C@H]1CCCN(c2nc3cc(F)ccc3o2)C1 274100190 WFXAUUYFBQEYLE-JTQLQIEISA-N 298.339 1.980 0 50 CDAA COCCn1cncc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 1565528003 BKJZEEYJIWJLCG-CVEARBPZSA-N 299.374 1.949 0 50 CDAA CN(C)c1ccccc1N(C)S(=O)(=O)c1ccnn1C 269337496 BGGLDIQFWGLYRM-UHFFFAOYSA-N 294.380 1.311 0 50 CDAA COc1cc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc(C)n1 407962752 AWAVNPAEPCWLOZ-AAEUAGOBSA-N 277.368 1.611 0 50 CDAA Cn1nncc1-n1nc(C(F)(F)F)cc1C1CC1 634630833 FSDIGJIZTGAZSY-UHFFFAOYSA-N 257.219 1.897 0 50 CDAA Cc1nc(O)c2c(n1)CN(C(=O)[C@@H]1C[C@H](C)O[C@H]1C)C2 636289423 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SHLJXDHNVPJQEE-WDNDVIMCSA-N 288.395 1.592 0 50 CDAA O=C([C@H]1C[C@@H]2CC[C@H]1O2)N1CC(c2ccncc2)C1 1857705812 WWVXLZCWAIDXIN-MELADBBJSA-N 258.321 1.575 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)N(C)C1CC1 329058916 UFWNZEMVTNQLSL-CYBMUJFWSA-N 292.383 1.021 0 50 CDAA COc1ccccc1NC(=O)C(=O)NCC(C)C 2472319 HJMYGCAJPZPSAY-UHFFFAOYSA-N 250.298 1.406 0 50 CDAA COC[C@H](NC(=O)N1CCOC2(CCCC2)C1)C1CC1 126583330 NNHYCTSFSORKJF-ZDUSSCGKSA-N 282.384 1.766 0 50 CDAA O=C(c1ccc2n[nH]cc2c1)N1CCCO[C@H](CF)C1 335208359 CUUFAYKJHNAOLV-GFCCVEGCSA-N 277.299 1.764 0 50 CDAA CC(C)Oc1ccccc1CC(=O)N1CCC[C@H](N)C1 157881392 WDNRPKXCGTWWGK-AWEZNQCLSA-N 276.380 1.966 0 50 CDAA C=CC(=O)N(CC)CC(=O)NC1(COC)CCCCC1 912761753 LCKRGPYVDUJVGS-UHFFFAOYSA-N 282.384 1.486 0 50 CDAA CC(C)(C)NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 4975875 NSBKXPUBJDWVPG-JTQLQIEISA-N 252.358 1.692 0 50 CDAA Cc1ccc(N(C)C(=O)c2cnc(N(C)C)cn2)nc1 905648292 KDWBCLDUTNWDIJ-UHFFFAOYSA-N 271.324 1.523 0 50 CDAA C[C@@H](C(=O)N1CCc2ncccc21)c1cnccn1 907069180 KDCXBVLGJYBGES-SNVBAGLBSA-N 254.293 1.564 0 50 CDAA Cc1cc(S(=O)(=O)NCc2ocnc2C)sn1 907596356 ATVCTOGDBQQICK-UHFFFAOYSA-N 273.339 1.226 0 50 CDAA CCC1(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)CC1 910617381 MNSQMAGTBFTHDV-VTWZXRTESA-N 281.352 1.705 0 50 CDAA O=C(N[C@@H](CO)Cc1ccncc1)c1csc(Cl)n1 848374324 GDUWDCDWNFKWSO-SECBINFHSA-N 297.767 1.525 0 50 CDAA COC[C@@H]1CCCCN(C(=O)NCc2nonc2C)C1 864261764 RIZDKNOPSGCHFQ-LLVKDONJSA-N 282.344 1.336 0 50 CDAA CCOc1cccc(S(=O)(=O)NC2CC(C(=O)O)C2)c1 871637428 FJTFKRPDNRCFOF-UHFFFAOYSA-N 299.348 1.227 0 50 CDAA CC1(CNC(=O)C[C@@H]2CC(=O)NC2=O)CCCCCC1 874962918 QMNLKYZUKHCFRN-LLVKDONJSA-N 280.368 1.516 0 50 CDAA CN=c1[nH]c(N[C@@H]2CCC[C@H]3OCC[C@H]23)ncc1Cl 1875295419 XOZSFBMURBMOGZ-FBIMIBRVSA-N 282.775 1.963 0 50 CDAA CCc1nnc2n1C[C@@H](NC(=O)C1C3CCC1CC3)CC2 1875307427 YGVWFEKDVXWGNP-WAQQSHLVSA-N 288.395 1.708 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CCOC3CC3)n[nH]c21 1875396898 WSTVMRBCRRCEGU-ZJUUUORDSA-N 293.367 1.683 0 50 CDAA Cc1nc2c(OC[C@H]3C[N@@]3CC3CC3)cccc2n(C)c1=O 1875381504 XHYWVZQNXIWVFG-ZUOKHONESA-N 299.374 1.715 0 50 CDAA CCO[C@H]1CCN(C(=O)c2ccc3[nH]ccc3n2)C1 885322999 FPQFEMXHXDQOFT-JTQLQIEISA-N 259.309 1.814 0 50 CDAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1ccoc1Cl 887003016 RHZWXJGRZWICED-NXEZZACHSA-N 285.727 1.593 0 50 CDAA O=C(Cc1cncnc1)NC1(c2ccccc2)COC1 888564676 GJCIBOFFWBSTOS-UHFFFAOYSA-N 269.304 1.061 0 50 CDAA Cn1cnc(CNC(=O)[C@@H]2CCCN2c2ccccc2)c1 890107297 JJJDEWYCCDNGRV-HNNXBMFYSA-N 284.363 1.705 0 50 CDAA C[C@@H](C[C@@H](C)O)NC(=O)c1cc(-c2ccncc2)[nH]n1 1775997947 PTZVRZQOTCNYSV-VHSXEESVSA-N 274.324 1.361 0 50 CDAA COc1ccc(OC)c2c1CN([C@@H]1CCOC1)C[C@@H]2O 328589195 JOJIYYYIPGCIOM-PWSUYJOCSA-N 279.336 1.342 0 50 CDAA NCc1ccc(C(=O)N2CC[C@@H](C3CCOCC3)C2)o1 335379513 LHVNHUVOQBHJQN-GFCCVEGCSA-N 278.352 1.627 0 50 CDAA COC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1CCCO2 2088617671 NODNUZREMBJREV-GOEBONIOSA-N 275.348 1.841 0 50 CDAA Cc1nc2ccc(I)cc2c(=O)[nH]1 281753 CLIGMJNZKHULNR-UHFFFAOYSA-N 286.072 1.836 0 50 CDAA COc1ccc(NC(=O)CCC(=O)O)c(OC)c1 2571698 ATYXNDMCQKEELI-UHFFFAOYSA-N 253.254 1.507 0 50 CDAA biogenic Cc1cccc(CNC(=O)C(=O)NCCCOC(C)C)c1 2812061 RZMNKSGCSJIBFR-UHFFFAOYSA-N 292.379 1.543 0 50 CDAA O=c1[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc2[nH]1 4510626 YZBZAQVYPXQHNF-UHFFFAOYSA-N 295.364 1.467 0 50 CDAA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)NCc1ccccn1 6698579 RAQKQVTUZDQJHY-QUINOFQRSA-N 288.347 1.835 0 50 CDAA CCOC(=O)C1[C@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 100888629 JCYZXDVNRFDPFC-RYUDHWBXSA-N 287.315 1.602 0 50 CDAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1cn[nH]c1 50922113 DCQHCHRTIVKFRG-JTQLQIEISA-N 251.286 1.269 0 50 CDAA CN1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO 107647536 RNOFYACKXWINOM-GFCCVEGCSA-N 291.420 1.795 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1cccc(OC)c1OC 343872443 MNALYJNHSJOYPO-UONOGXRCSA-N 295.379 1.940 0 50 CDAA C[C@H](O)C1CCN(C(=O)Nc2nncs2)CC1 55224661 POQSBVNPKMKHAH-ZETCQYMHSA-N 256.331 1.163 0 50 CDAA CCOC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 246822354 NUAGYNOMYKZNEN-YDHLFZDLSA-N 280.412 1.887 0 50 CDAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCO 54363590 TVHAVNDJZAXJHO-UHFFFAOYSA-N 287.381 1.398 0 50 CDAA CC(C)c1cc(C(=O)N2[C@H]3CC[C@@H]2CC(=O)N(C)C3)[nH]n1 67674437 NLOSTWJDIAGUJT-MNOVXSKESA-N 290.367 1.368 0 50 CDAA Cc1c(Cl)cccc1NC(=O)CN1CCOCC1 20295651 DNZVWXBQUZUCSH-UHFFFAOYSA-N 268.744 1.919 0 50 CDAA C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCCC1 28286247 UITYIZHPSJIEGD-QWHCGFSZSA-N 290.363 1.427 0 50 CDAA C[C@@H]1CCN(C)C[C@@H]1N(C)c1ncnc2[nH]ccc12 214489686 UCFDYZNTNVHTGH-PWSUYJOCSA-N 259.357 1.734 0 50 CDAA in-vitro COCC[C@H]1CCCCN(CCN2CCO[C@@H](C)C2)C1 253397136 IHHVZVKZMZKQBQ-JKSUJKDBSA-N 284.444 1.846 0 50 CDAA CCn1ncnc1[C@H](C)Nc1ncc(C)c(N(C)C)n1 65452099 FYENIIIGEZXUSO-JTQLQIEISA-N 275.360 1.636 0 50 CDAA Cn1cc(Br)c(C(=O)Nc2nccs2)n1 483493 CYXOTJGNKAZAES-UHFFFAOYSA-N 287.142 1.891 0 50 CDAA C[C@@H](O)CCNC(=O)c1ccc(-c2nnc(S)o2)cc1 124260158 IYMLMZWXXGGUMZ-MRVPVSSYSA-N 293.348 1.526 0 50 CDAA CC(=O)N[C@H]1CCN(c2cc(C)nc3c(C)c(C)nn23)C1 72447237 IWGDCJFLOOMSFB-ZDUSSCGKSA-N 287.367 1.369 0 50 CDAA O=C1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnccn1 231361733 FXTDXSDMUGVEHV-CMPLNLGQSA-N 259.309 1.450 0 50 CDAA Cc1nccn1[C@H](C)C(=O)N1CCC(c2nnc[nH]2)CC1 219787261 FHJLGBJYSXRSJG-SNVBAGLBSA-N 288.355 1.277 0 50 CDAA CCOC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 79065921 ZPAXXNFEMNYXCF-LBPRGKRZSA-N 261.293 1.899 0 50 CDAA Cc1nn(C)c(Cl)c1CN(C)C(=O)[C@@H]1CCOC1 328594506 PIRKBIZGJBNAIX-SECBINFHSA-N 271.748 1.377 0 50 CDAA CN(Cc1nc(-c2ccncc2)no1)Cc1nccn1C 77459802 FEINGNMSPOUWPX-UHFFFAOYSA-N 284.323 1.497 0 50 CDAA O=C(NCc1noc(Cc2ccccc2)n1)c1ccno1 219941146 GLWJQWKSOILAQM-UHFFFAOYSA-N 284.275 1.578 0 50 CDAA Cc1nc(NS(C)(=O)=O)cc(-c2ccc(F)cc2)n1 253419000 KRAWMLGOMOONNE-UHFFFAOYSA-N 281.312 1.963 0 50 CDAA CC[C@H](OC)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C 253419893 DLHPMUBYESNPAV-UPJWGTAASA-N 254.374 1.497 0 50 CDAA CC(C)c1nnc([C@H]2CN(c3ncc(F)cn3)CCO2)o1 330150044 MXVXETHDVKSNIR-SNVBAGLBSA-N 293.302 1.700 0 50 CDAA CC(C)[C@H](O)CCNC(=O)/C=C/c1cccc(O)c1 154393119 BTMQZYKNKOWCGV-PSKZRQQASA-N 263.337 1.929 0 50 CDAA CO[C@H]1CN(c2cccc(-n3cc(C)cn3)n2)C[C@H]1OC 364611572 YXSVYBSRIUWXIO-BETUJISGSA-N 288.351 1.426 0 50 CDAA C[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@@H](C2CC2)O1 366501484 BVCAZBBPJPHWHM-SKDRFNHKSA-N 258.325 1.962 0 50 CDAA CSc1nc(C(=O)N(C)Cc2cnccn2)cs1 216097693 OYDOTHPXOFSUSG-UHFFFAOYSA-N 280.378 1.927 0 50 CDAA CC[C@@H]1[C@@H](NC(=O)c2cccnc2O)[C@@H]2CCO[C@@H]21 219433647 ICPAXEPYBGVPJR-RBLKWDMZSA-N 262.309 1.331 0 50 CDAA CC1(C)CN(CCN[C@@H]2CCCc3n[nH]cc32)CCO1 367584733 BMQQAEODJUMGLH-CYBMUJFWSA-N 278.400 1.488 0 50 CDAA C[C@H](CN(C)c1ccc(S(C)(=O)=O)cc1F)C(=O)O 261594098 NJIYVOXDZMFYDJ-MRVPVSSYSA-N 289.328 1.386 0 50 CDAA Cc1cccnc1C1(CNC(=O)[C@@H]2CCC(=O)N2C)CC1 368238703 FOEWSPNWUGHJBX-LBPRGKRZSA-N 287.363 1.159 0 50 CDAA O=C(CCCOc1ccccc1F)N1C[C@H](O)C2(CC2)C1 368750084 LYPZTNKPWONPPX-AWEZNQCLSA-N 293.338 1.968 0 50 CDAA Cc1nc(CN2CC[C@]3(CCCO3)CCC2=O)no1 71614596 CVYYXHZGUZWPFR-ZDUSSCGKSA-N 265.313 1.440 0 50 CDAA COC(=O)[C@@H]1C[C@H](F)C(=O)N1C(=O)OC(C)(C)C 39326143 QBKBNRNCKCOQQN-BQBZGAKWSA-N 261.249 1.034 0 50 CDAA in-vitro CC(C)(C(=O)N1CC[C@@H](C(=O)O)C1)c1cccs1 236693450 MCQYMMOSMIPXCR-SECBINFHSA-N 267.350 1.959 0 50 CDAA CNCC(=O)N1CCC[C@H]1Cc1ccccc1OC 237190898 QKJQSMCUJOHPCB-ZDUSSCGKSA-N 262.353 1.448 0 50 CDAA CC[C@H]1CN(Cc2nnc3n2CCOC3)CCS1 373865754 IUWWDFMYCMSVKX-JTQLQIEISA-N 268.386 1.136 0 50 CDAA Cc1ccccc1N1CCN(C(=O)Cn2cncn2)[C@@H](C)C1 77516001 BSAMUBRCIGOQPR-AWEZNQCLSA-N 299.378 1.324 0 50 CDAA Cc1ccccc1-c1nc(C(=O)NCCN)cs1 237688956 QWSQKEZHCNZRKF-UHFFFAOYSA-N 261.350 1.807 0 50 CDAA N[C@H]1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 158072022 AVPHQPSRZAIKGD-ZDUSSCGKSA-N 287.363 1.377 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C3CC3)n[nH]2)N(c2cnccn2)C1 284512607 JHQXGPMUQYIVMY-MNOVXSKESA-N 286.339 1.439 0 50 CDAA COCCC(=O)N1CCCN(c2ccc(F)cc2)CC1 82109351 AOUSLVIIKAQDRO-UHFFFAOYSA-N 280.343 1.901 0 50 CDAA CCOCCC(=O)N1CCC([C@H](O)c2nccn2C)CC1 223298424 KGVBEVCQPBZEOC-AWEZNQCLSA-N 295.383 1.119 0 50 CDAA COc1ccc(-c2cnc3ncnn3c2)c(-n2cccn2)c1 426589730 GGFPRHUEANQICM-UHFFFAOYSA-N 292.302 1.986 0 50 CDAA CCC(=O)N[C@H](c1nccn1CC)C1CCOCC1 287062458 VYLBLBCDFDHHFV-ZDUSSCGKSA-N 265.357 1.897 0 50 CDAA CSCC(=O)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 222993859 OLOJJHRPCOLZRX-JHJVBQTASA-N 280.393 1.243 0 50 CDAA Cc1ccc(-n2nc(C)cc2NC(=O)c2cccnc2)nn1 176192367 VCYWMZIDEHJTBU-UHFFFAOYSA-N 294.318 1.926 0 50 CDAA Cc1nccn1[C@H](C)C(=O)N1CCc2[nH]nc(C3CC3)c2C1 223836235 QMASKZXCFMOHPN-SNVBAGLBSA-N 299.378 1.938 0 50 CDAA O=C(O)[C@@H]1CCCN1c1ncc(Br)cn1 44137228 JXRPBXHVVATYSU-ZETCQYMHSA-N 272.102 1.293 0 50 CDAA COCCn1ccnc1CN(C)Cc1snnc1C 220328159 KTCCGBHVLMRLMM-UHFFFAOYSA-N 281.385 1.321 0 50 CDAA CCCC[C@@H](CC(=O)O)NC(=O)c1cnc(C)nc1C 426677457 LHCKVXRCEGTCEU-NSHDSACASA-N 279.340 1.857 0 50 CDAA CCO[C@H](C(=O)N1CC[C@H](C(=O)O)C1)c1ccccc1 178271313 AZFBLVRYLXOIDD-STQMWFEESA-N 277.320 1.697 0 50 CDAA Cn1cncc1C(=O)N1CC[C@](C(=O)O)(c2ccccc2)C1 426549033 ASGZHUYOQMEJFW-MRXNPFEDSA-N 299.330 1.289 0 50 CDAA CC[C@H](Oc1ccccc1C)C(=O)N1CC[C@H](CN)C1 178592141 BSLCTCMLORBGTD-KGLIPLIRSA-N 276.380 1.960 0 50 CDAA Cc1ccnc(CNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)c1 615361231 SVFPKGKYLQDFPY-GFCCVEGCSA-N 284.363 1.843 0 50 CDAA Cc1nn(CCC(N)=O)c(C)c1-c1ccc2c(c1)OCO2 96153458 IHCCCLJCNKGXPG-UHFFFAOYSA-N 287.319 1.771 0 50 CDAA Cn1nnc2cc(C(=O)N3CCC[C@@H]3c3cn[nH]c3)cnc21 615895503 OXLCQEUQFRZMIC-GFCCVEGCSA-N 297.322 1.064 0 50 CDAA CC[C@@H](NC(=O)Nc1ccc[nH]c1=O)c1cnn(C)c1 97288744 WKJDVQVCZXXNLE-SNVBAGLBSA-N 275.312 1.381 0 50 CDAA Cc1cc(C)nc(CCNC(=O)c2cc(C(F)F)[nH]n2)n1 426434016 IKDLJPYDPOKFIY-UHFFFAOYSA-N 295.293 1.727 0 50 CDAA COCc1cc(N2C[C@H]3CCC[C@@]3(CO)C2)ncn1 95380563 TUFUDMSZKBFSGA-RISCZKNCSA-N 263.341 1.222 0 50 CDAA CC(C)=CC(=O)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1 91462096 JEUUVFPPKAHQIF-CYBMUJFWSA-N 260.337 1.732 0 50 CDAA Cc1cc(N2CCC(Cc3noc(C)n3)CC2)nc(N)n1 92078330 FJYKQLCRFUUQHT-UHFFFAOYSA-N 288.355 1.518 0 50 CDAA Cc1cnc(CN2C[C@@H](C(=O)O)[C@H](C(C)C)C2)cn1 92078657 PISPQYNNVGDYGE-QWHCGFSZSA-N 263.341 1.574 0 50 CDAA CN(Cc1cn[nH]c1C(=O)O)C[C@@H]1CCCCO1 97759491 WFBWMXRZXGIHEB-JTQLQIEISA-N 253.302 1.109 0 50 CDAA CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1[C@@H]3[C@H]4[C@H]5[C@@H]3[C@@]13CC(C)(C)C[C@]53[C@@H]24 248343131 ZTACXIBNXYHYEN-KSVJPVOGSA-N 283.371 1.775 0 50 CDAA CC(C)c1ncncc1C(=O)N1CC[C@H](C(=O)O)C1 299743118 LWPRSBRQZDENCL-VIFPVBQESA-N 263.297 1.147 0 50 CDAA CC(C)(CNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccccc1F 299750225 MYTCSCGICKVYFH-NXEZZACHSA-N 279.311 1.940 0 50 CDAA Cc1ccc(F)c(NC(=O)CCS(C)(=O)=O)c1 298478468 GBJPTLRZIMRVMD-UHFFFAOYSA-N 259.302 1.507 0 50 CDAA O=C(NCc1noc([C@H]2CCCO2)n1)N1CCSCC1 534640153 VBKUFFTYSOIDJJ-SECBINFHSA-N 298.368 1.180 0 50 CDAA CCNC(=O)[C@H]1CCC[C@@H](C(=O)NCC)[C@@H]1N1CCCC1 261361517 GOOWOXXQXVQZBW-WDNDVIMCSA-N 295.427 1.139 0 50 CDAA CCOCCNC(=O)c1cccc(-c2cnc(O)nc2)c1 299795541 KOSJHFRVXAZFHE-UHFFFAOYSA-N 287.319 1.616 0 50 CDAA CC[C@H](NC(=O)CN1CCOCC1)c1cccc(C)n1 299787348 WEDNSTJFEFXMBP-ZDUSSCGKSA-N 277.368 1.290 0 50 CDAA CC1(C)C[C@@H](O)CCN(CC(C)(C)CN2CCOCC2)C1 828630087 YEDFEVZBEYMHIL-HNNXBMFYSA-N 298.471 1.828 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CCCc2cn[nH]c2)n[nH]1 828001129 YNRUHVHMUOEZBN-MRVPVSSYSA-N 262.317 1.036 0 50 CDAA Cc1cc(C(F)(F)F)nc(CNC(=O)C2(CO)CC2)n1 584902589 OXSBPMRVIYTHHN-UHFFFAOYSA-N 289.257 1.193 0 50 CDAA Cc1ccc(N2CCN(C(=O)c3nc[nH]n3)[C@@H](C)C2)cc1 584887593 BECWCWUUJLWBPA-LBPRGKRZSA-N 285.351 1.464 0 50 CDAA C=CC(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C 1336682865 ZAFSTHHPNVIUBX-UHFFFAOYSA-N 287.319 1.908 0 50 CDAA CCC(CC)CN(CC)C(=O)CCCS(N)(=O)=O 864056812 IHEWMTBQKLOXCG-UHFFFAOYSA-N 278.418 1.340 0 50 CDAA COc1ccc(CNCCCN2CCC[C@@H](O)C2)c(C)c1 952962111 AWQFQOPJCHOAMM-MRXNPFEDSA-N 292.423 1.940 0 50 CDAA COCCn1cnnc1[C@H](C)NCc1ccc(C)o1 952862152 MROGRZUWHWNKLG-NSHDSACASA-N 264.329 1.677 0 50 CDAA Cn1ccnc1C(=O)N1CCC2(CCOCC2)CC1 789724926 HYSRTUZPPXZQQT-UHFFFAOYSA-N 263.341 1.453 0 50 CDAA CCNC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565507964 HDMOZXZKBXCCLZ-YPMHNXCESA-N 294.424 1.769 0 50 CDAA Nc1ncnc(N(CCCCO)C2CC2)c1Cl 302912986 UKYLPSQCLOACGD-UHFFFAOYSA-N 256.737 1.454 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cccs2)C1 630248790 IKKVNYZOJOCUPZ-NSHDSACASA-N 255.295 1.064 0 50 CDAA COc1nnc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)s1 278587771 KSLTZLOONJPENM-RKDXNWHRSA-N 298.368 1.626 0 50 CDAA CC[C@H](Cc1ccc(C)cc1)NC(=O)NC[C@H](C)O 170614783 LGBXADOVZPDACO-GXTWGEPZSA-N 264.369 1.996 0 50 CDAA COCCn1cc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)cn1 665226665 KLOCNMHUKCWKLA-JTQLQIEISA-N 287.319 1.916 0 50 CDAA Cn1nc(C(=O)O)cc1CN[C@H]1CCCN2CCCC[C@@H]12 635314624 HUIHHAYGXGAQDE-JSGCOSHPSA-N 292.383 1.225 0 50 CDAA CC(=O)N1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)C(C)(C)C1 189994988 JWQJIOZHEBVJNB-DGCLKSJQSA-N 282.384 1.271 0 50 CDAA Cc1ccc2ncc(CN3CCC[C@@]34CCOC4=O)n2c1 190032428 JKJXLTGKJAGVKX-INIZCTEOSA-N 285.347 1.924 0 50 CDAA Cc1nc(CC(C)C)oc1C(=O)N1CCC[C@H]1C(N)=O 190287742 BTCOGQXGENNNBH-JTQLQIEISA-N 279.340 1.271 0 50 CDAA CC[C@H](C(=O)O)n1nc(-c2cccs2)oc1=O 583812383 DXTDALSAHNBBKI-ZCFIWIBFSA-N 254.267 1.601 0 50 CDAA 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COC(=O)c1cccc(NC(=O)CCSC)n1 593311687 OQJIPLIHHZYHMC-UHFFFAOYSA-N 254.311 1.560 0 50 CDAA CN1C[C@H](CNc2ncccc2C(F)(F)F)OCC1=O 885938860 CFKKUEKVDYKAIK-QMMMGPOBSA-N 289.257 1.370 0 50 CDAA COc1ccc(N2C(=O)[C@H]3CCCC(=O)N3C2=O)cc1 888088259 BKHJFUUNGDSJGN-LLVKDONJSA-N 274.276 1.543 0 50 CDAA CC(C)Oc1cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)ccn1 408094270 RTUUDBJGQYSUMV-AAEUAGOBSA-N 278.352 1.712 0 50 CDAA Cc1nc([C@@H]2CN(C(=O)c3ccco3)CCO2)no1 408154727 QPTOBHIMBHWWIA-JTQLQIEISA-N 263.253 1.185 0 50 CDAA c1ccc(C[C@@H]2CN(c3ncnc4nc[nH]c34)CCO2)cc1 271901427 QGGDPDBTSNIWSL-CYBMUJFWSA-N 295.346 1.801 0 50 CDAA CC1(Cn2cc(C(=O)N3C[C@H]4CCC[C@H]4C3)nn2)COC1 185107808 FUDWSCPFNONPQN-TXEJJXNPSA-N 290.367 1.187 0 50 CDAA CC(C)C[C@@H](C(=O)O)N1CCC(CC(=O)N(C)C)CC1 629486779 KRXBLAIQCCINBC-ZDUSSCGKSA-N 284.400 1.676 0 50 CDAA CCc1cc(C)nc(N2Cc3c(N)nn(C)c3C2)n1 663996600 JGBVVQBCFGCBIE-UHFFFAOYSA-N 258.329 1.183 0 50 CDAA CN(C(=O)NCc1ccco1)C1(CCO)CCOCC1 170081481 GIGYHFYGDVPXRI-UHFFFAOYSA-N 282.340 1.353 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)C1(O)CCC1 170083968 IGGYWTSPDBOOLO-MNOVXSKESA-N 255.358 1.611 0 50 CDAA CCc1nnc(CN2C[C@H](O)Cc3ccccc32)o1 278856174 KSRHAHLPHZMDCB-LLVKDONJSA-N 259.309 1.556 0 50 CDAA CN(C)C[C@@H](O)CNC1CCC(C(F)(F)F)CC1 170596689 DJRHRTWRGWGHTB-ILDUYXDCSA-N 268.323 1.620 0 50 CDAA CCN1C[C@H](COC(=O)Cc2cc(F)ccc2F)CC1=O 170645833 ZLFPDESVMUYWSU-SNVBAGLBSA-N 297.301 1.919 0 50 CDAA CCCc1noc(Cn2cnc3onc(C)c3c2=O)n1 631024343 UEAFQRUJFTXUIK-UHFFFAOYSA-N 275.268 1.077 0 50 CDAA C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)C(=O)O 577225660 UDDISPVKUYTSQL-MRVPVSSYSA-N 268.288 1.342 0 50 CDAA Cc1c(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cnn1C 188730806 DSHITJWBPFDWAQ-YPMHNXCESA-N 279.384 1.910 0 50 CDAA Cc1ccc(F)cc1NC(=O)C(=O)N1CCO[C@@H](C)[C@@H]1C 190023568 LOMXGAREOHJOBC-QWRGUYRKSA-N 294.326 1.708 0 50 CDAA O=c1cc(CN2CCC[C@@H](n3ccnc3)C2)[nH]c2ccnn12 595572188 WZIZWHPRFFSMMV-CYBMUJFWSA-N 298.350 1.056 0 50 CDAA O[C@@]1(Cn2ccnn2)CCN(C/C=C/c2ccccc2)C1 671492551 SOHMIHWOLKSSJZ-RRGWEWPQSA-N 284.363 1.428 0 50 CDAA N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 191353045 CJZQUHVFHBWUHT-CVEARBPZSA-N 287.407 1.601 0 50 CDAA COC[C@@H](NC(=O)NC[C@H]1CCn2ccnc2C1)C1CC1 583621112 NLPPZKHDABMCQR-WCQYABFASA-N 292.383 1.170 0 50 CDAA Nc1ncncc1C(=O)N[C@H]1CCOc2ccc(F)cc21 192348807 NFLXJWKYFUTWEW-NSHDSACASA-N 288.282 1.452 0 50 CDAA O=C(Nc1cnns1)N1CCC(Cn2cccn2)CC1 192353934 UKNCIKXYMWXWRP-UHFFFAOYSA-N 292.368 1.679 0 50 CDAA CC(C)C[C@@H](C)CN=c1ccc(N2CCNC(=O)C2)c[nH]1 585084528 MSMCQKIVXBYGJP-CYBMUJFWSA-N 290.411 1.534 0 50 CDAA COC(=O)C1CC2(CNC[C@H]2C(=O)OC(C)(C)C)C1 585139544 WAIXTEHZHVQHLH-XIRUVYRFSA-N 269.341 1.117 0 50 CDAA CCCCCOCC(=O)N1[C@@H](C)[C@@H](C(N)=O)CC[C@H]1C 585126053 MTZNXYIACCWOEP-AGIUHOORSA-N 284.400 1.694 0 50 CDAA O=C(NC[C@H]1CCCC[C@@H]1O)Nc1ccncn1 194064131 AWHGAKPCAMHDFE-ZJUUUORDSA-N 250.302 1.149 0 50 CDAA CC(C)c1ccc(-n2ccnc2S(=O)(=O)CCO)cc1 195139298 HSLAYHVVBWNSBI-UHFFFAOYSA-N 294.376 1.762 0 50 CDAA O=C(NC[C@@H]1C[C@@H]1C(=O)O)c1ccc(Br)cc1 715316001 HCCZCLAAKKRJFH-WPRPVWTQSA-N 298.136 1.900 0 50 CDAA Cn1c(S[C@@H]2C=CCCCCC2)nc(=O)c(N)c1N 1775991055 CXYHPPWAZNQJLN-SECBINFHSA-N 280.397 1.926 0 50 CDAA Cc1nc(C)c(F)c(N(C)CCc2nccc(O)n2)n1 1615548662 HYNZHAQAXOFVAQ-UHFFFAOYSA-N 277.303 1.407 0 50 CDAA N[C@H]1CC12CC(NC(=O)c1ccnc(-c3ccccn3)n1)C2 1615546219 MWLZPDNGGLQDNW-QCIACWGRSA-N 295.346 1.148 0 50 CDAA CNc1nc(N[C@@H]2CCC[C@H]2N(C)C)ncc1F 1506397215 JLHAGTHIMLJJFB-NXEZZACHSA-N 253.325 1.552 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 111184590 NGLLBGUPXHPKSD-NWDGAFQWSA-N 275.304 1.628 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)c1cc2ncccn2n1 1529146200 KBKSIYOPMKHCIA-UHFFFAOYSA-N 284.323 1.586 0 50 CDAA Cn1cnnc1CCn1ccnc1-c1cccs1 1875241893 GPSIXDRZBFJJSP-UHFFFAOYSA-N 259.338 1.983 0 50 CDAA Cc1ccc(C(=O)N2CCO[C@H]([C@@H](C)N)C2)c(F)c1 122866228 WHDSFAOILQHEJM-MFKMUULPSA-N 266.316 1.322 0 50 CDAA CC(C)N1C[C@H](CN2C[C@H](C)O[C@H](C)C2)CCC1=O 1772819672 YYQXRYWNAUXJFD-MJBXVCDLSA-N 268.401 1.743 0 50 CDAA Oc1cccc(N2CCN(CC[C@@H]3COCCO3)CC2)c1 1775980804 AZOOMAPBOSGVQU-MRXNPFEDSA-N 292.379 1.320 0 50 CDAA CCc1nc(N2CCC3(CC2)CN(C)CCO3)ncc1C 1772813528 FSLOEBXUTNJNQB-UHFFFAOYSA-N 290.411 1.648 0 50 CDAA CC[C@]12C[C@H]1CN(C(=O)c1nnc3n1CCCCC3)C2 1772804374 NMKSYDRPXCXSTB-XHDPSFHLSA-N 274.368 1.877 0 50 CDAA CCOC(=O)C(CC(C)C)(NC(C)=O)C(=O)OCC 5592110 UWLVQUHYFCNGEL-UHFFFAOYSA-N 273.329 1.034 0 50 CDAA CCN1CCN(C(=O)c2c(OC)cccc2OC)CC1 5672315 VOCSLRGKMNLIHK-UHFFFAOYSA-N 278.352 1.482 0 50 CDAA CC(C)NC(=O)C1CCC(C(=O)NC(C)C)CC1 13988013 DSHNDUCKIIQKHX-UHFFFAOYSA-N 254.374 1.842 0 50 CDAA CCNCC[C@@H]1CCC(=O)N1CCCOC(C)C 14958743 YAIIKSHECRDLAO-ZDUSSCGKSA-N 256.390 1.792 0 50 CDAA COc1ccc(CN2CCN(CCO)CC2)cc1C 19607108 YBDCFTYLRYMEQC-UHFFFAOYSA-N 264.369 1.114 0 50 CDAA CN1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 19772772 JIFNRGXVPACIKK-ZDUSSCGKSA-N 284.787 1.327 0 50 CDAA O=C([C@H]1Cc2ccc(Cl)cc21)N1CCO[C@H]2CNC[C@H]21 1857530885 MCAOGWZUNCGWBU-MJBXVCDLSA-N 292.766 1.179 0 50 CDAA CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1CNC(=O)N1 1857690746 RBTKHVVFXMMJHZ-NSHDSACASA-N 289.360 1.541 0 50 CDAA CC(C)COC[C@@H](O)CN(C)C[C@H]1CCc2nccn2C1 328655204 YDJVYSJLBVMECK-CABCVRRESA-N 295.427 1.411 0 50 CDAA Cn1cnc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)c1 653328161 FHODRNQHSIGEKB-NEPJUHHUSA-N 285.303 1.463 0 50 CDAA CCCN(CCC)C(=O)N[C@H](C)c1nnnn1C1CC1 240668067 HMDLSMDOKNDULC-SNVBAGLBSA-N 280.376 1.901 0 50 CDAA COc1cnccc1N1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1875243584 NOBWEIUOQQRIES-BXUZGUMPSA-N 288.351 1.162 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)NC[C@H](O)C1CCCCC1 407965249 LGBWZXMEIYAEBX-UZGDPCLZSA-N 269.385 1.857 0 50 CDAA NC[C@@H]1CC[C@H](NC(=O)c2ccnn2-c2ccccc2)C1 423750324 UQKULROKYDXLQA-OLZOCXBDSA-N 284.363 1.730 0 50 CDAA Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nn1C 125180389 IEZMPJRJRBKXFV-ZMLRMANQSA-N 292.383 1.608 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nc(C)no2)C1 643856064 TZOZBEZVLPMPLJ-ZJUUUORDSA-N 263.301 1.063 0 50 CDAA CN(C)c1ncccc1CNC(=O)[C@H]1CCCCO1 12589094 XSBGTJVVERCPSA-GFCCVEGCSA-N 263.341 1.333 0 50 CDAA CC(=O)NCc1ccc(C(=O)N[C@@H]2COCC2(C)C)cc1 456508361 CHOFRWRHCQJXDH-CQSZACIVSA-N 290.363 1.478 0 50 CDAA CC[C@H]1C(=O)N(C)CCN1c1ccc2nccnc2n1 585098797 BUAOADKSBZOPJD-NSHDSACASA-N 271.324 1.082 0 50 CDAA O=C(NC1(CO)CCSCC1)[C@H]1CCC[C@@H]2CCCN21 585121956 HOOMOXFGRVBWMI-CHWSQXEVSA-N 298.452 1.378 0 50 CDAA O=C(O)Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1F 263095500 CKNFLPLXPJPEIT-NSHDSACASA-N 267.256 1.570 0 50 CDAA Nc1c(C(=O)NC2(C3CC3)CCC2)cnn1-c1ccccn1 925716419 QJJJXMBLEGGSMZ-UHFFFAOYSA-N 297.362 1.912 0 50 CDAA COCc1nccc(N2CC[C@@H](N(C)C)[C@H]2C)n1 928995731 IYNHGTIAPYEZJA-GHMZBOCLSA-N 250.346 1.152 0 50 CDAA CC(=O)NC1CN(C(=O)[C@@]2(c3ccccc3)CCCO2)C1 935574305 ATRICOVTSUMSHI-INIZCTEOSA-N 288.347 1.039 0 50 CDAA COCC1(S(=O)(=O)N(C)Cc2ccoc2C)CCC1 952995369 JSXJMROHZMRXHZ-UHFFFAOYSA-N 287.381 1.919 0 50 CDAA CCCn1ncc(CN2CC[C@H](CNC)C2)c1C 1875299002 VPXVZPYVBIOFHK-CYBMUJFWSA-N 250.390 1.643 0 50 CDAA N=c1[nH]ccc(=NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[nH]1 1875275819 UXMFLZXAJPBMEL-DOMZBBRYSA-N 288.326 1.028 0 50 CDAA O=C(Cn1ccnn1)O[C@H]1CCCc2ccccc2C1=O 1875263355 SLTHTRHMWFXZMO-ZDUSSCGKSA-N 285.303 1.409 0 50 CDAA Cc1cnccc1[C@H](C)NC[C@]1(CO)COC[C@@H](C)N1C 1875399230 SFPNRAYMPYPWEV-YCPHGPKFSA-N 293.411 1.122 0 50 CDAA C[C@@H]1CCN(c2nc(N)nc(N)n2)[C@@H]1c1ccccc1 884642249 FBQFVEPHJQFBRY-KOLCDFICSA-N 270.340 1.624 0 50 CDAA Cc1cnc2c(c1)N(C(=O)[C@@H](C)c1cnccn1)CC2 888145786 MSXKXWOMJDXJLV-NSHDSACASA-N 268.320 1.873 0 50 CDAA C[C@@H]1COCCN1c1cc(Cl)c2cnn(C)c2n1 891755505 WYRLITUUXSUFFM-MRVPVSSYSA-N 266.732 1.847 0 50 CDAA CN1CCN(c2ncnc3c2ncn3C)C[C@@H]1C(C)(C)C 895100329 AFSFTUILENGCGA-LLVKDONJSA-N 288.399 1.530 0 50 CDAA O=C(N[C@@]12CCC[C@@H]1NCC2)c1nccc2cccnc12 1775599753 DGJCLVYLFTYXGG-BLLLJJGKSA-N 282.347 1.644 0 50 CDAA N[C@@H]1CCN(C(=O)CCc2ccccc2Cl)C1 237980959 ZNTAEIKQYCIKIH-LLVKDONJSA-N 252.745 1.832 0 50 CDAA Cc1nccn1CCCNc1ncnc2[nH]cnc12 32517841 PWNJYJWOHVLCHB-UHFFFAOYSA-N 257.301 1.360 0 50 CDAA CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)O)s1 268933928 ZPYGRYQRJGDJLQ-JTQLQIEISA-N 296.348 1.043 0 50 CDAA C[C@@H](CO)N1CCN(c2cccc(C(F)(F)F)n2)CC1 301815688 GTNQNWXIMYGJKG-JTQLQIEISA-N 289.301 1.603 0 50 CDAA CN1CC[C@H](N2CCc3[nH]nc(C(F)(F)F)c3C2)C1=O 363490727 SLYBEPADDZEJRR-VIFPVBQESA-N 288.273 1.017 0 50 CDAA COCC1(CN=c2[nH]ccnc2C(=O)O)CCCC1 584896352 JBYRHZXDOWLXAF-UHFFFAOYSA-N 265.313 1.215 0 50 CDAA O=C(c1noc(-c2cccnc2)n1)N1CC(C2CC2)C1 2325736887 KXXNVLCEOCNVSF-UHFFFAOYSA-N 270.292 1.614 0 50 CDAA CN(C[C@@H]1CCC(=O)N1)c1ncncc1-c1ccccc1 2325764759 ZVHCZJDBYWDUOO-ZDUSSCGKSA-N 282.347 1.858 0 50 CDAA CO[C@H](C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)C)C1)C(C)C 1415337811 MOCQWHXLRJRUAK-STQMWFEESA-N 298.427 1.668 0 50 CDAA C[C@@H](C(=O)O)C(=O)NC1(c2nccc(C(F)F)n2)CCC1 2325788549 NZEMIVDOVLVJRA-SSDOTTSWSA-N 299.277 1.630 0 50 CDAA CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccn2ncccc12 2325798004 FRRFKROTPOTWKL-VXGBXAGGSA-N 259.309 1.224 0 50 CDAA C[C@@H]1CC(=O)NN1C(=O)c1ccc(-c2cn[nH]c2)cc1 1433600351 YZKBJDIIJGXXNU-SECBINFHSA-N 270.292 1.342 0 50 CDAA COc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1O 123703 JWNFSTNMEBJXKG-XVKPBYJWSA-N 255.295 1.189 0 50 CDAA biogenic COc1cc(F)cc(-c2nc(N3CCOCC3)n[nH]2)c1 2356148778 RBQRUWUZXHAVHE-UHFFFAOYSA-N 278.287 1.456 0 50 CDAA COCCN1Cc2nnc(C3CCC3)n2[C@@H](C)C1=O 2356158159 DBHFUZHYPWMPBM-VIFPVBQESA-N 264.329 1.095 0 50 CDAA CCCCc1cc(=O)oc2cc(OCC(N)=O)ccc12 4151876 GJHKPFZZURACEG-UHFFFAOYSA-N 275.304 2.000 0 50 CDAA CCc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc1 4870356 ZGDUPHXMRBGYJB-CYBMUJFWSA-N 299.334 1.697 0 50 CDAA CCC1(CC)C(=O)NC(=O)N=C1SCC(=O)OC 4955380 CWXQWYXEYUYILJ-UHFFFAOYSA-N 272.326 1.347 0 50 CDAA COc1ccc(CCNc2cc(=O)nc(N)[nH]2)cc1 8763109 NGPGNZOMBBGPNW-UHFFFAOYSA-N 260.297 1.015 0 50 CDAA O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H]2C=CC=C[C@@H]12 100738566 VJTVHSXUMUZJAO-VXGBXAGGSA-N 283.283 1.437 0 50 CDAA CNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613637 MEKHLDSDOLTVFE-UHFFFAOYSA-N 258.277 1.013 0 50 CDAA biogenic CCc1csc(CN[C@@H](C)Cn2cncn2)n1 67713996 KAWPQQXPMZSIGU-VIFPVBQESA-N 251.359 1.475 0 50 CDAA COc1ncccc1C(=O)NC[C@@H](C)Oc1cccnc1 67739885 SOMZJAWVAMZMNT-LLVKDONJSA-N 287.319 1.683 0 50 CDAA CC1=NC(=O)C2(CCN(C(=O)NC3CCCC3)CC2)N1 63844843 IGIRPUSGUHWYLW-UHFFFAOYSA-N 278.356 1.021 0 50 CDAA C[C@@H]1C[C@@H](OC[C@@H](O)CN2CCN(C)CC2)CC(C)(C)C1 22937536 YVAWMZJIRZQCSS-OWCLPIDISA-N 298.471 1.826 0 50 CDAA COc1cc(N2CCC(Oc3cccnc3)CC2)ncn1 65399227 CMCCNSMWKOXMSI-UHFFFAOYSA-N 286.335 1.928 0 50 CDAA CN1CCN(C(=O)c2ccc(Nc3ncccn3)cc2)CC1 170544759 LSXQHZPAYMFNEO-UHFFFAOYSA-N 297.362 1.608 0 50 CDAA Cc1cc(C)cc(OCCN(C)C(=O)CS(C)(=O)=O)c1 63883537 JYHLUMORJRJDOM-UHFFFAOYSA-N 299.392 1.185 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1ccncc1F 328618970 FIUWRHHLJROFSQ-NSHDSACASA-N 288.326 1.752 0 50 CDAA CCS[C@H]1CCC[C@@H]1NCC(=O)NCC(F)(F)F 252493474 NDCBUXLKWHZFFO-IUCAKERBSA-N 284.347 1.929 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NC[C@H](NC(=O)[C@@H]1C[C@H]1C)C1CC1 252517765 QRQJNEXUEFMRGQ-WHIOXUINSA-N 264.369 1.309 0 50 CDAA CC[C@@H](CO)NC(=O)NCCc1ccc2c(c1)CCO2 252539917 ORKLRBILIDWYSX-ZDUSSCGKSA-N 278.352 1.234 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3ncccc3C)n2CC1 601045368 WQRILLFGOFZHOQ-NSHDSACASA-N 286.335 1.774 0 50 CDAA Cc1c[nH]c([C@H](C)NC(=O)c2ccc(CO)cc2)n1 218852756 DITJPZQLKFKMRS-JTQLQIEISA-N 259.309 1.701 0 50 CDAA COC(=O)c1cccc(CNC(=O)[C@@H](O)c2ccccc2)c1 121334235 GBRBHNRHPBAUJU-HNNXBMFYSA-N 299.326 1.823 0 50 CDAA CN[C@H]1CCCN(C(=O)[C@@H](C)n2nc(C)cc2C)C1 151028480 WJZBRVXAWGUASS-OLZOCXBDSA-N 264.373 1.271 0 50 CDAA CCOc1ccccc1/C=C/C(=O)N(C)[C@@H]1CCNC1 328596446 QKYXPHQRTZHGHE-MYSGNRETSA-N 274.364 1.919 0 50 CDAA CCOC[C@@H]1CCN(C(=O)c2ccc3nonc3c2)C1 328592793 RNNORNJNDWUYIS-SNVBAGLBSA-N 275.308 1.721 0 50 CDAA Cn1ccs/c1=N\C(=O)Cc1c[nH]c2ncccc12 158249457 ZPKOZSGWELHYBZ-SSZFMOIBSA-N 272.333 1.633 0 50 CDAA CC1CCN(C(=O)C(=O)N2CCc3ccncc32)CC1 336483533 PXUSUYNJHWTNEI-UHFFFAOYSA-N 273.336 1.229 0 50 CDAA C[C@@H]1CCN(C(=O)c2cccc(C(N)=O)c2)[C@H](C(=O)O)C1 125012137 GELFSLHJYHUMNM-SKDRFNHKSA-N 290.319 1.111 0 50 CDAA COc1cc(C)ccc1OCC(=O)N1C[C@@H](F)C[C@H]1CO 330584640 WJYBWZGQINNZTP-RYUDHWBXSA-N 297.326 1.314 0 50 CDAA CC(C)(C)[C@@H](C#N)NC(=O)c1cnc(N)c(Cl)c1 122151486 SJPGHFNJMNXKRM-SECBINFHSA-N 266.732 1.985 0 50 CDAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2)C1(C)C 261804675 WEEHSGKQHDRZLP-IJLUTSLNSA-N 254.374 1.400 0 50 CDAA C[C@H]1COCCN(C(=O)c2ccnc3c2ncn3C)C1 376368878 URRMFGDQGUMEMN-SNVBAGLBSA-N 274.324 1.077 0 50 CDAA COC[C@@H](NC(=O)Cc1cccs1)c1ccnn1C 219152803 KXDDDNOUAQYFIU-LLVKDONJSA-N 279.365 1.528 0 50 CDAA CN1C[C@@H](NC(=O)c2ccc3ncsc3c2)CCC1=O 172490553 QZBZOONSZHWFMH-JTQLQIEISA-N 289.360 1.647 0 50 CDAA COc1ccc(Cn2nnnc2C2CCOCC2)cn1 520205199 HTSPUUOVIPMCOP-UHFFFAOYSA-N 275.312 1.019 0 50 CDAA CCOC(=O)c1ccc2nnc(-c3cncnc3)n2c1 34926222 CNGDYWVUIILUMH-UHFFFAOYSA-N 269.264 1.363 0 50 CDAA CCOc1cccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)O)C2)c1 282332357 OBFYKUNHIJDRCJ-VXGBXAGGSA-N 299.392 1.477 0 50 CDAA CC(C)(NC(=O)c1cccnc1)C(=O)NCC1CCCC1 126995918 CEJZBIBIJILYIN-UHFFFAOYSA-N 289.379 1.896 0 50 CDAA Nc1nc2c(c(NCCCc3ccncc3)n1)CCNCC2 72468237 VEOBVURQHGKCAS-UHFFFAOYSA-N 298.394 1.187 0 50 CDAA CCCc1nc(C(N)=O)nn1Cc1noc(C(C)(C)C)n1 332655209 NHOHJJASBDHNQR-UHFFFAOYSA-N 292.343 1.058 0 50 CDAA Cc1csc(CCCNC(=O)c2noc(C)c2CO)n1 218793042 FBDXLVBRKWHVJV-UHFFFAOYSA-N 295.364 1.603 0 50 CDAA O=C(CS(=O)(=O)C1CC1)N(C1CCC1)C1CCC1 333091850 OJLHPYOESBWYID-UHFFFAOYSA-N 271.382 1.497 0 50 CDAA Fc1ccc(CCN2CCN3CCOC[C@H]3C2)cc1F 335997001 QAPIJSVNZJQDBZ-CYBMUJFWSA-N 282.334 1.524 0 50 CDAA COc1cccc(OCC(=O)N2CCCC[C@@H]2[C@H](C)N)c1 237277154 CSPGLWLASOVMSQ-SWLSCSKDSA-N 292.379 1.802 0 50 CDAA COc1nc(C)cc(N2CCC[C@@H]([C@@H]3CCNC3)C2)n1 333635296 BJBQUAPRDVQRGQ-CHWSQXEVSA-N 276.384 1.620 0 50 CDAA COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCC(=O)O)c1 263138298 MHMCKWLTVOCJNS-ONGXEEELSA-N 279.292 1.008 0 50 CDAA CC(C)[C@H]1CCO[C@H]1C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2 333973191 XPOWPZUAKOJOFM-LXTVHRRPSA-N 296.411 1.027 0 50 CDAA C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1sccc1Cl 336261923 WZJCBWZKFBIPBO-RQJHMYQMSA-N 281.786 1.545 0 50 CDAA N=c1ccn(CC(=O)c2ccc3c(c2)OCCO3)cc1 334157753 PHCTVAYFSQQXRW-UHFFFAOYSA-N 270.288 1.622 0 50 CDAA CN1C[C@@]2(CCN(Cc3cccc4nonc34)C2)OC1=O 72478720 JFFKWNZBPFVCDL-CQSZACIVSA-N 288.307 1.249 0 50 CDAA COC[C@H]1CN(C(=O)Cc2cccnc2)CC(C)(C)O1 285417260 HERYGAONWDFTSE-CYBMUJFWSA-N 278.352 1.277 0 50 CDAA Cc1csc(SCC(=O)N[C@H](C)Cn2cncn2)n1 220733647 DMUPALIZJRYXRV-MRVPVSSYSA-N 297.409 1.340 0 50 CDAA C[C@@H](NC(=O)NC1CCN(C)CC1)c1ccncc1F 241634576 PNNOGVGHALLXSQ-SNVBAGLBSA-N 280.347 1.675 0 50 CDAA CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CCC[C@@H]1C(=O)O 40450047 QEWWMIPVCWMFSG-HTQZYQBOSA-N 273.285 1.314 0 50 CDAA CN1CCO[C@H](C(=O)N2CCC=C(c3ccncc3)C2)C1 286133730 DGLVRYGRADBZNW-HNNXBMFYSA-N 287.363 1.028 0 50 CDAA C[C@H](NC(=O)c1ncccc1O)c1nc(C(C)(C)C)no1 175583696 YTSUQXPIOILVMU-QMMMGPOBSA-N 290.323 1.959 0 50 CDAA COCCOCC(=O)N1CCCN(c2ccccc2)CC1 193527134 XQQGEESAPXTGRD-UHFFFAOYSA-N 292.379 1.388 0 50 CDAA COC(=O)CNC1(c2noc(C)n2)CCCCCC1 610212984 QZDFSTBUBCPGIK-UHFFFAOYSA-N 267.329 1.690 0 50 CDAA CCc1c(C)nn(CCNC(=O)[C@@H](C)OC(C)C)c1C 426627889 ZHPHSPMUIUFRHI-CYBMUJFWSA-N 281.400 1.992 0 50 CDAA CCOc1cc(N[C@@H]2Cc3ccccc3NC2=O)ncn1 528197088 INDURYABGIFQIG-GFCCVEGCSA-N 284.319 1.851 0 50 CDAA CCCc1cc(C(=O)NCc2cnn3cccnc23)n(C)n1 82121232 JHBTVBOJLRQRHZ-UHFFFAOYSA-N 298.350 1.345 0 50 CDAA CC[C@H](NC(=O)c1cnc(O)cn1)c1cc(C)ccn1 222416728 JYAMCECCDZOTFO-JTQLQIEISA-N 272.308 1.767 0 50 CDAA c1cnn(Cc2ccc(CN3C[C@@H]4CCN[C@@H]4C3)cc2)c1 426651972 GJOULWHOEBBBRF-DLBZAZTESA-N 282.391 1.725 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)NC[C@H]2CCOC2)c1 426530663 AOHMYOVYXYLMEX-SECBINFHSA-N 279.292 1.160 0 50 CDAA Cc1ccn2c(C(=O)NCCc3ncnn3C)c(C)nc2c1 426412262 KUATVRTXEOIZHF-UHFFFAOYSA-N 298.350 1.052 0 50 CDAA Cc1c(C(=O)NC[C@@H]2CCCN2)cnn1-c1ccccc1 178765678 CVZZIUORQNVQEW-ZDUSSCGKSA-N 284.363 1.663 0 50 CDAA O=C(NC[C@H](CO)Cc1ccsc1)C1CCOCC1 97572131 RYAHXQGKGSZUED-GFCCVEGCSA-N 283.393 1.442 0 50 CDAA Cc1nc(C)c(C)c(N2CC[C@]3(CCN(C)C3)C2)n1 95360270 PVSSIRAMKSKHEQ-HNNXBMFYSA-N 260.385 1.934 0 50 CDAA CCc1nnc(CN2C(=O)CC3(CCCC3)CC2=O)o1 95501957 FHWOVSFCDBHMTN-UHFFFAOYSA-N 277.324 1.841 0 50 CDAA COC(=O)[C@@H]1[C@@H]2C[C@H]2CN1C(=O)c1sccc1OC 247813830 FGNXISLFYSGLQD-XKSSXDPKSA-N 281.333 1.390 0 50 CDAA CN1C(=O)CCC12CCN(C[C@H](O)c1ccccc1)CC2 244840249 UJRXYALPUJEPNY-HNNXBMFYSA-N 288.391 1.807 0 50 CDAA Cc1n[nH]c(CN(C)Cc2ccc(-n3cccn3)cc2)n1 244773934 PJAHYXILHGDUGP-UHFFFAOYSA-N 282.351 1.931 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)O 299748732 HZOACPRZZJLYQQ-KGYLQXTDSA-N 261.321 1.702 0 50 CDAA O=C(C[C@@H]1C=CCCC1)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 298896221 KETFCDCGSNGXDZ-NEPJUHHUSA-N 290.367 1.550 0 50 CDAA CC(C)[C@@H](CO)Nc1cc([C@H]2C[C@@H](O)C2)ncn1 252540321 PCSUXVVNCCMPNK-JFGNBEQYSA-N 251.330 1.144 0 50 CDAA CCN(CC)CC1(NC(=O)c2c(O)cccc2O)CC1 534587339 PKKSCPJLMIVMNX-UHFFFAOYSA-N 278.352 1.702 0 50 CDAA COc1ccc(-c2c(C)nn(CC(=O)O)c2C)cn1 534577706 ISPKAMRZGVEBBO-UHFFFAOYSA-N 261.281 1.655 0 50 CDAA CCOc1ccccc1NC(=O)N[C@H]1COC[C@@H]1OC 289569175 RQYZHRXRLKOCQF-AAEUAGOBSA-N 280.324 1.621 0 50 CDAA COCCn1cncc1CN1CCC[C@H](c2ncc[nH]2)C1 299794854 JAMMEUMSNGAXLZ-ZDUSSCGKSA-N 289.383 1.632 0 50 CDAA CC(C)c1nccn1[C@H](C)C(=O)N=c1cnn(C(C)C)[nH]1 1940195724 IJISNRLITXTHER-LLVKDONJSA-N 290.371 1.801 0 50 CDAA O=C(NCCCc1nc2cc(F)ccc2[nH]1)[C@H]1CCOC1 299801495 YULPQQPUUGOMCG-JTQLQIEISA-N 291.326 1.787 0 50 CDAA C[C@@H](C(=O)N(C)C)N1CC(Oc2ccccc2F)C1 299797515 RRNOMACQXRXDGI-JTQLQIEISA-N 266.316 1.365 0 50 CDAA Cc1nonc1CC(=O)N[C@H](c1cccnc1)C(C)C 299782369 XNARFJJUDHHASB-AWEZNQCLSA-N 274.324 1.829 0 50 CDAA CCc1n[nH]cc1C(=O)NC[C@H]1CCN(C2CCCC2)C1 299758399 MRZCMWYLPWLTAS-GFCCVEGCSA-N 290.411 1.966 0 50 CDAA C[C@@H](CN1CCc2ccccc2C1)NCc1nc(O)n[nH]1 821294795 IZJVUKUTFCPEFW-NSHDSACASA-N 287.367 1.047 0 50 CDAA CC[C@@H](Cn1ccnc1)NS(=O)(=O)c1c(C)noc1C 822640599 NGHWCANZPWLFHW-NSHDSACASA-N 298.368 1.245 0 50 CDAA COCC[C@H]1CN(C(=O)c2ccn(C)c2C)CCO1 584891713 BFTHUZHUCBOBQH-LBPRGKRZSA-N 266.341 1.211 0 50 CDAA COC1CCN(C(=O)NCc2ccc3nc[nH]c3c2)CC1 584889190 UWCGHKDQRVAXLJ-UHFFFAOYSA-N 288.351 1.883 0 50 CDAA FC(F)(F)c1n[nH]c(CN[C@H]2CN3CCC2CC3)n1 670457527 SQUXERSOXOIZNV-QMMMGPOBSA-N 275.278 1.007 0 50 CDAA CCCCn1ncnc1-c1cnc(N(C)C)nc1C 670435495 PZBOZXCQWMRDFA-UHFFFAOYSA-N 260.345 1.910 0 50 CDAA CC(C)[C@@H](NC(=O)CCCn1cnnn1)c1ccccc1 670436157 GOWXCNPEXHZQQJ-OAHLLOKOSA-N 287.367 1.967 0 50 CDAA CC1=CCCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 1353511629 QWCNFSYYXPXHGJ-HUUCEWRRSA-N 271.364 1.973 0 50 CDAA C[C@H]1CN(c2nccnc2N(C)C)CC[C@]1(O)C1CCC1 1565516318 NCDPQHDWLRCNMO-BLLLJJGKSA-N 290.411 1.920 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCCCOc1ccc(F)cc1 268877430 BZAKLPIIMYIUSC-NEPJUHHUSA-N 281.283 1.432 0 50 CDAA O=c1oc2ccccc2cc1Cn1nnc(C2CC2)n1 1473023430 XTKQVMBRLIVHOL-UHFFFAOYSA-N 268.276 1.705 0 50 CDAA CN(C)CCN(CC(=O)O)C(=O)c1cc(F)cc(F)c1 170047757 RJUTYDFAKBQMOM-UHFFFAOYSA-N 286.278 1.053 0 50 CDAA Cc1cnc(C(=O)N2CCC(O)(C(F)F)CC2)c(O)c1 408377876 SCQSMMLIMBOCGS-UHFFFAOYSA-N 286.278 1.328 0 50 CDAA C[C@H]1CCN(CC(=O)N[C@H]2CCOC(C)(C)C2)C1 408517999 RJLUFBWQISIMIP-RYUDHWBXSA-N 254.374 1.402 0 50 CDAA CS[C@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1N(C)C 271098648 MJAXLAINCZCQHO-RYUDHWBXSA-N 266.414 1.575 0 50 CDAA Cc1ccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)o1 276318085 NZJOAIAHLZJKKM-LSDHHAIUSA-N 290.367 1.945 0 50 CDAA C[C@H](C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCC[C@H]21)n1cccn1 630285071 YZROXMQTDPIFBU-MROQNXINSA-N 291.351 1.546 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCOCC(F)(F)C2)cc1 630297919 DAUMLTMCBSZGEO-UHFFFAOYSA-N 285.246 1.493 0 50 CDAA CO[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)C1CCC1 633138603 QLDJFIZVIHKXKJ-LBPRGKRZSA-N 279.292 1.844 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)n[nH]1 583618380 RSBCFCJRWQFELX-SCZZXKLOSA-N 290.289 1.473 0 50 CDAA CC(C)[C@@H](CCO)NC(=O)[C@]1(c2ccccc2)C[C@H](O)C1 585129305 FFGRVIMUNZRDRA-INMHGKMJSA-N 291.391 1.602 0 50 CDAA CC(=O)N[C@@H]1CCCN(Cc2ccccc2C(=O)O)C1 586051751 DNGNWJCJUICABX-CYBMUJFWSA-N 276.336 1.485 0 50 CDAA CCc1ccccc1OCCCN1C(=O)CNC1=O 194363962 BQUOCAYJRNJRTE-UHFFFAOYSA-N 262.309 1.570 0 50 CDAA CN1C(=O)Cc2cc(NC(=O)C3CCOCC3)ccc21 194667298 QXMLTZXPWDDHMO-UHFFFAOYSA-N 274.320 1.571 0 50 CDAA O=C(Nc1ccn(Cc2ccccc2)n1)[C@H]1CCCNC1 195187574 MBAAKVSNRWBMNH-AWEZNQCLSA-N 284.363 1.870 0 50 CDAA C[C@@H]1CCN(C(=O)[C@@]2(C(=O)O)CC=CCC2)C[C@H]1CN 656852806 LCZIKXYENQOQTE-LALPHHSUSA-N 280.368 1.241 0 50 CDAA Cn1cnc(N2CCC[C@@H](CC(F)(F)F)C2)cc1=O 574770741 LVMQFHWZHZOTKT-VIFPVBQESA-N 275.274 1.949 0 50 CDAA C[C@@H]1CCOCCN1C(=O)Cc1ccc2n[nH]cc2c1 793773187 OZZURSWPPKDSOW-LLVKDONJSA-N 273.336 1.743 0 50 CDAA COc1nccnc1N1CCC[C@]2(CCN(C)C2)C1 1506415795 CRVWDGQJWBZBIA-CQSZACIVSA-N 262.357 1.407 0 50 CDAA Cn1nc(C(=O)NCCCNc2cccnc2)nc1Cl 1857692865 XXWOLVLSKXYLSJ-UHFFFAOYSA-N 294.746 1.096 0 50 CDAA Cn1ccnc1NC(=O)C[C@@H]1NC(=O)c2ccccc21 1469047355 APQMSYXCPUPGLX-NSHDSACASA-N 270.292 1.233 0 50 CDAA O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@@H](CO)[C@@H](O)C1 215505156 IBOZZKWIIORBLK-XPTSAGLGSA-N 292.310 1.122 0 50 CDAA C[C@]1(O)CCOC2(CCN(C(=O)C3CCC3)CC2)C1 1704357168 DDGBOHYMCITUAL-AWEZNQCLSA-N 267.369 1.709 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)Cc1c(C)noc1C 344645503 IADGCKBWNGNZAO-NWDGAFQWSA-N 282.340 1.096 0 50 CDAA Cc1nnc(CN2CC(F)(F)C[C@H]2CO)n1C1CC1 364598660 IZJZNHZXROLJNT-JTQLQIEISA-N 272.299 1.123 0 50 CDAA CCc1n[nH]cc1C(=O)NCc1cccn2nccc12 1772810328 KGCMCUNFLCFCGK-UHFFFAOYSA-N 269.308 1.550 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1n[nH]c2c1CCCC2 1772814988 GNMNFMWUICWSMU-UHFFFAOYSA-N 296.334 1.490 0 50 CDAA CC(C)N1C[C@H](CN2CCN(CC3CC3)CC2)CCC1=O 1775980602 DYBWYEDZBLLCSO-INIZCTEOSA-N 293.455 1.661 0 50 CDAA COC(=O)[C@H](C(=O)NCc1cccnc1)C1CCCC1 16193587 JJGFYLMUVIXIDB-ZDUSSCGKSA-N 276.336 1.677 0 50 CDAA CCN1CCC(NC(=O)COc2ccccc2F)CC1 16580606 GYNUGMMPSHQPPL-UHFFFAOYSA-N 280.343 1.805 0 50 CDAA Cc1ncoc1C(=O)NCCc1cn2ccsc2n1 19227374 OIDRKMSAQKQOMP-UHFFFAOYSA-N 276.321 1.665 0 50 CDAA Cn1c(=N)n(C[C@H](O)COc2ccccc2)c2ccccc21 19289892 VEDNAASDVOTMIR-ZDUSSCGKSA-N 297.358 1.899 0 50 CDAA Cc1ccc2n1CCN(C(=O)c1nnc3n1CCCC3)[C@@H]2C 19535411 LFGYDTLCCJAVDK-GFCCVEGCSA-N 299.378 1.941 0 50 CDAA O=C(Nc1nccs1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169299961 SUGSIWBFIBIQDM-XSPKLOCKSA-N 264.306 1.605 0 50 CDAA CS[C@@H]1CCC[C@H](NC(=O)C2(C(=O)O)CC2)C1 154903783 DDLMVMZGVDVJNG-DTWKUNHWSA-N 257.355 1.642 0 50 CDAA Cc1cnnc(N2CCN(c3ccccc3)C(=O)C2)c1C 1857681036 VPGDUQUXDXGPFA-UHFFFAOYSA-N 282.347 1.947 0 50 CDAA CN(CCc1ccc(F)cc1)C(=O)[C@H]1C[C@@H]1C(=O)O 258782585 YQKIPAXACPJTJD-RYUDHWBXSA-N 265.284 1.547 0 50 CDAA O=C1NC(=O)[C@](Cc2ccccc2)(c2ccccc2)N1 440060 ITLQPKUEVLGNAG-INIZCTEOSA-N 266.300 1.964 0 50 CDAA in-vitro CNC(=O)c1cccc(CNc2ncnc(N)c2Cl)c1 302777231 GBSUJDYSPKWOTK-UHFFFAOYSA-N 291.742 1.684 0 50 CDAA CC[C@H](COc1ccccc1)NC(=O)[C@@]1(F)CCNC1 225488684 BBEAKQNQUZYKKV-IUODEOHRSA-N 280.343 1.662 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 620120403 HIJOCWPOIFWJSP-JFUSQASVSA-N 287.319 1.552 0 50 CDAA CS(=O)(=O)Nc1ccc(-c2csc(N)n2)cc1 3888532 VIZDVARUPDOMRC-UHFFFAOYSA-N 269.351 1.764 0 50 CDAA in-vitro FC(F)(F)c1cn2c(n1)CC[C@H](CN[C@H]1CCOC1)C2 328629900 ISWDLTVUVAMRBM-ZJUUUORDSA-N 289.301 1.843 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)ns1 335665306 YKQHYOFINIIFNZ-BXKDBHETSA-N 279.365 1.239 0 50 CDAA C[C@@H]1CN(c2nc(-c3ccccc3)no2)CC(=O)N1C 669663856 HZEGZJJHEVPHFJ-SNVBAGLBSA-N 272.308 1.404 0 50 CDAA C[C@H](CO)NC(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 252486970 PYYHAKKDLJSKIU-LERXQTSPSA-N 296.342 1.726 0 50 CDAA CSCC(C)(C)C(=O)N1CCCN(C(=O)C2CC2)CC1 253630005 SFIHEFDGRNSUOB-UHFFFAOYSA-N 298.452 1.847 0 50 CDAA O=C(CN1CC[C@@]2(C1)C(=O)Nc1ccccc12)NCC1CC1 375317681 GANPIJCADUTYKR-KRWDZBQOSA-N 299.374 1.108 0 50 CDAA O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCCC1 159228309 UTWCGSLPQXWGMH-NSHDSACASA-N 264.329 1.547 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2CCCN2)C[C@@H](c2ccc(F)cc2)O1 161565474 YZBQTAMYLUTYLD-CQDKDKBSSA-N 292.354 1.866 0 50 CDAA Cn1ncc(CNc2nccn3nc(C(F)(F)F)cc23)n1 389960422 ZILOJNRMYZQXDJ-UHFFFAOYSA-N 297.244 1.489 0 50 CDAA Cc1cc(O)ccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704308738 IXVCUBDKUGXNNA-STQMWFEESA-N 290.363 1.103 0 50 CDAA CNC(=O)[C@@H]1CN(Cc2cnc(C)o2)c2ccccc2O1 929861811 UDVDHCUOWHVBOC-AWEZNQCLSA-N 287.319 1.497 0 50 CDAA CC1=NO[C@@H](C(=O)Nc2ccc3c(C)[nH]nc3c2)C1 831575408 IYPOQBNLLUJJPW-GFCCVEGCSA-N 258.281 1.975 0 50 CDAA C[C@H](CNC(=O)NCc1cnc(Cl)cn1)C1CC1 864095272 BHVMNZMXYBYWAJ-MRVPVSSYSA-N 268.748 1.975 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)NC(=O)CC1CC1 1875285359 LCPPDKYRNHBPME-UHFFFAOYSA-N 283.349 1.609 0 50 CDAA C[C@H]1CN(C(=O)c2cnc3c(c2)C(=O)CCC3)CCO1 1875271368 YQAXFDWMFUSITB-JTQLQIEISA-N 274.320 1.462 0 50 CDAA C=CC(=O)N1CCC[C@H](C(=O)N2CC(OCC(C)C)C2)C1 1875302984 PXLBBQSIRWOYHH-ZDUSSCGKSA-N 294.395 1.294 0 50 CDAA COCc1nc(C)c(C(=O)OC[C@@H]2CC(C)=NO2)s1 888099468 LHECQHHOIAZQIK-VIFPVBQESA-N 284.337 1.920 0 50 CDAA O=C(N[C@H](CC(F)(F)F)C1CC1)c1ccn2nnnc2c1 888092872 MJHSGFCGOUADDI-SECBINFHSA-N 299.256 1.585 0 50 CDAA Cc1cnc2c(C(=O)N3CCC34CCN(C)CC4)cnn2c1 896658968 WBUMXRORCAYKTO-UHFFFAOYSA-N 299.378 1.348 0 50 CDAA C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)c2ccccc2)CCN1C 237565224 ORQWIPGFNICWQT-SNPRPXQTSA-N 275.396 1.628 0 50 CDAA CCCN1CCN(CC(=O)Nc2cccc(C)c2)CC1 20595169 HVIIWQBGWHUZRD-UHFFFAOYSA-N 275.396 1.961 0 50 CDAA COCc1cccc(C(=O)N2C[C@@H](OC)C[C@H]2CO)c1 345480674 XIXRROKTDHRSCX-KBPBESRZSA-N 279.336 1.055 0 50 CDAA N[C@@]1(C(=O)O)CCN(Cc2ccc3occc3c2)C1 67846923 ULBSXSBQBJQYHM-AWEZNQCLSA-N 260.293 1.421 0 50 CDAA COc1ccc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c(F)c1 331338352 JJEQRCDSDIRYAJ-ZANVPECISA-N 283.299 1.056 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1)N2C[C@@H](O)CC1CCCC1 332939355 JIOGUHRGESVFDD-RDBSUJKOSA-N 266.385 1.281 0 50 CDAA C[C@@H](O)CCc1cn(Cc2cncc(F)c2)nn1 641073100 MGLMJZBTXJUOND-SECBINFHSA-N 250.277 1.174 0 50 CDAA COCC1(C(=O)N2CCC[C@](F)(CO)C2)CCC1 376567065 ZOXIPEAPFCTKTF-CYBMUJFWSA-N 259.321 1.126 0 50 CDAA CCc1nc(CCNC2CSCCSC2)no1 584888436 AJLZAUZUDYULEH-UHFFFAOYSA-N 273.427 1.613 0 50 CDAA O=C(c1cn[nH]c1)N1CCC(Oc2ccncc2)CC1 828138388 MUJAISCLAXEJFV-UHFFFAOYSA-N 272.308 1.488 0 50 CDAA Cc1cccnc1NC(=O)[C@H](CN)C1CCOCC1 864735964 JIDRIJYETOJMFZ-GFCCVEGCSA-N 263.341 1.330 0 50 CDAA COc1ncccc1Nc1ncc(C)c(N(C)C)n1 2100548140 VLGGMEDVZZHWHA-UHFFFAOYSA-N 259.313 1.998 0 50 CDAA COc1cccc(-c2nc3ccccc3c(=O)n2N)c1 268023 JMZXATOUUZELER-UHFFFAOYSA-N 267.288 1.786 0 50 CDAA O=C(O)[C@H](NCC=C1CCOCC1)C1(O)CCCCC1 2325803600 QAOFEPACEJCBLL-ZDUSSCGKSA-N 283.368 1.461 0 50 CDAA COC[C@H]1C[C@H](NC(=O)C(=O)C2CCCCC2)C1 2325811388 WEDXLIMVCQZSID-UMSPYCQHSA-N 253.342 1.677 0 50 CDAA Cc1cc(-c2ccccc2)nc2cc(C(N)=O)nn12 317973 CFOUSGFXETXEKJ-UHFFFAOYSA-N 252.277 1.804 0 50 CDAA Cc1cccc(NC(=O)C[C@H]2SCCNC2=O)c1 2443930 BOLKFSMQXORQAR-LLVKDONJSA-N 264.350 1.555 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)O)c2)C1 2641090 OGTFNSKWZVXMCO-SNVBAGLBSA-N 283.349 1.805 0 50 CDAA CC[C@H](C)NC(=O)CN(c1ccccc1C)S(C)(=O)=O 2959715 QBYZOUHUJIMHQB-LBPRGKRZSA-N 298.408 1.676 0 50 CDAA Cc1ccccc1NC(=O)CSc1nncn1C 3396709 PGRVRXANCRPUJJ-UHFFFAOYSA-N 262.338 1.854 0 50 CDAA CC(C)C[C@@H](NS(=O)(=O)c1cccs1)C(=O)O 4222982 GUFIXTKYQDLBNA-MRVPVSSYSA-N 277.367 1.526 0 50 CDAA C1CC[C@H]2OCCOCCOCCOCCO[C@H]2C1 4262183 GQRWGIWRQMNZNT-OKILXGFUSA-N 274.357 1.394 0 50 CDAA CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 4275571 ZYQGYKHIXASKDI-JTQLQIEISA-N 280.305 1.983 0 50 CDAA CCOc1cc(S(=O)(=O)NC(C)C)ccc1F 6703020 CTJMZQBOFKGKNQ-UHFFFAOYSA-N 261.318 1.911 0 50 CDAA CCn1cc(S(=O)(=O)NCC2CCCCC2)cn1 6742263 QABBTQIXOPCGTG-UHFFFAOYSA-N 271.386 1.762 0 50 CDAA Cc1ccc(CN(C)C(=O)CCCn2cncn2)o1 54056909 SMKYEPYBJNVQSE-UHFFFAOYSA-N 262.313 1.618 0 50 CDAA C[S@@](=O)C1(CNC(=O)c2cc(-c3ccco3)[nH]n2)CC1 225673108 ZRJJWXYOCLACJJ-HXUWFJFHSA-N 293.348 1.311 0 50 CDAA CCn1cc(CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cn1 23541104 UCZJHVJPATYTEX-CYBMUJFWSA-N 287.367 1.366 0 50 CDAA C[C@H](O)CN1CCN(Cc2ccncc2Cl)[C@@H](C)C1 249497017 HEIOMEBPWIOLOD-RYUDHWBXSA-N 283.803 1.622 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2cc(C)no2)C1 348024363 XFOCINZEHIOEJJ-KBPBESRZSA-N 279.384 1.668 0 50 CDAA NC(=O)c1cccnc1N1CCC[C@@H](C(F)(F)F)C1 24053427 HPLTTWZZHJRPES-MRVPVSSYSA-N 273.258 1.959 0 50 CDAA C[C@H](NC(=O)CC(C)(C)O)c1nc2ccccc2[nH]1 280498055 HMTYWUMFXHQYRP-VIFPVBQESA-N 261.325 1.901 0 50 CDAA Cn1cc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21 20901875 WGOKUCNTXITREE-UHFFFAOYSA-N 285.347 1.516 0 50 CDAA COc1ccc2c(c1)C[C@H](C(=O)Nc1cc(C)n[nH]1)CO2 119606638 ZXJGBTMAWBCMSW-NSHDSACASA-N 287.319 1.917 0 50 CDAA CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 252572194 YYBZOHAVEAJLIG-LPWJVIDDSA-N 294.395 1.317 0 50 CDAA Cc1ccc(CCC(=O)N(C)[C@H]2CCNC2=O)s1 355321623 XKPCELPNJGOWSO-NSHDSACASA-N 266.366 1.336 0 50 CDAA NC(=O)c1cnc(N2CCO[C@@H]3CCC[C@H]32)c(Cl)c1 230168070 GVNWMUDGYVDHMR-GHMZBOCLSA-N 281.743 1.592 0 50 CDAA C[C@H](Oc1cnc2ccccc2c1)C(=O)NC1COC1 601843962 WGLRGAKQNGLPMN-JTQLQIEISA-N 272.304 1.517 0 50 CDAA O=C(Nc1ccc(F)cn1)N[C@H]1CCCn2ncnc21 122476248 NUHPBVQNGJXFNU-VIFPVBQESA-N 276.275 1.469 0 50 CDAA CCOC(=O)C(C)(C)c1csc(CS(C)(=O)=O)n1 123966094 WSCIPKMLZOKGAR-UHFFFAOYSA-N 291.394 1.528 0 50 CDAA O=S1(=O)CC[C@H](c2noc([C@@H]3C[C@@H]3C3CC3)n2)C1 329585493 RDNBTFIACOWDIN-IVZWLZJFSA-N 268.338 1.485 0 50 CDAA CN(Cc1cnccn1)C(=O)CCc1cccnc1 215582979 BTKGVASWXFBKBX-UHFFFAOYSA-N 256.309 1.463 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CCNC[C@H]1C 124586404 SRVWRUMIYODNNO-GFCCVEGCSA-N 264.373 1.217 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 238102897 GBQJSBXGOKELAP-LBPRGKRZSA-N 297.314 1.690 0 50 CDAA O=C(O)CNC(=O)C1(c2ccc(F)cc2F)CCOCC1 238163984 XUHLYKPIMVFASN-UHFFFAOYSA-N 299.273 1.214 0 50 CDAA O=S(=O)(C[C@@H]1CCCO1)Nc1cccc2c1CCO2 330110457 QNWBBQYQSGGRNB-JTQLQIEISA-N 283.349 1.542 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 262597403 JFFHFGFGQRBHOR-XQQFMLRXSA-N 293.294 1.446 0 50 CDAA Cn1nccc1NC(=O)N1CCCN(CC(F)F)CC1 125704277 NGADCVWURMOBOD-UHFFFAOYSA-N 287.314 1.225 0 50 CDAA CCOc1cc(C)c(S(=O)(=O)NCCCO)cc1C 36177284 XEHGFRJLTQGICN-UHFFFAOYSA-N 287.381 1.363 0 50 CDAA CCCn1cc(CN2CCC[C@](O)(CN(C)C)C2)c(C)n1 72453863 JYYAUFICKXZDBR-INIZCTEOSA-N 294.443 1.490 0 50 CDAA CN(C)c1noc(CN[C@@]2(CO)CCc3ccccc32)n1 369046947 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AMRGVTXLWSDGCD-NSHDSACASA-N 290.367 1.990 0 50 CDAA CC(C)C(=O)N1CCC(CN)(C(F)(F)F)CC1 725264660 CMISLPZCYDCOKH-UHFFFAOYSA-N 252.280 1.772 0 50 CDAA O=S(=O)(NCCCC[C@H]1CCCO1)c1cn[nH]c1 828388934 WWVSUJXZTBVDCN-JTQLQIEISA-N 273.358 1.037 0 50 CDAA CCOCCC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 823318404 NUBNKVDGOFUDAK-UHFFFAOYSA-N 294.351 1.762 0 50 CDAA Cc1nc(O)c(Cl)c(NC[C@@H]2CC(=O)N(C3CC3)C2)n1 828248283 WHVAZRYZMRLNKJ-QMMMGPOBSA-N 296.758 1.567 0 50 CDAA COc1cc(C(=O)NCCN=c2cc[nH]cc2C)ccn1 824852006 NAZATAIVFKVOGN-UHFFFAOYSA-N 286.335 1.057 0 50 CDAA CCCc1ncncc1C(=O)NCCn1cnc(C)c1C 823018944 RDSFDIVIJOPBHQ-UHFFFAOYSA-N 287.367 1.672 0 50 CDAA CC(C)(NC(=O)C[C@H]1CCCCO1)c1cc(C(=O)O)on1 585134311 MSAAUFPVHMWSCU-SECBINFHSA-N 296.323 1.683 0 50 CDAA CC(C)Cc1nc(CN(C)C(=O)c2cncn2C)no1 584885351 DUBWHKAQXACDKR-UHFFFAOYSA-N 277.328 1.274 0 50 CDAA CCOc1ccnc(N2CC[C@@](O)(c3ccccc3)C2)n1 670443576 NNYCUMWWYGUYQV-INIZCTEOSA-N 285.347 1.973 0 50 CDAA CC(C)Cc1nc(CNC(=O)c2ccncc2F)no1 584899335 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C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@@H](C)C2)C[C@H]1C(N)=O 408037819 HXFITNAITBGHIX-FDYHWXHSSA-N 266.385 1.783 0 50 CDAA Cc1nccc(NC2CCN(C(=O)C3CC3)CC2)n1 408239917 GYAGLEVADKXGHK-UHFFFAOYSA-N 260.341 1.598 0 50 CDAA COCC(=O)Nc1cc(N(C)C)c(Br)cn1 408520566 LWPQNPFZNWRNEA-UHFFFAOYSA-N 288.145 1.495 0 50 CDAA CN(Cc1ccco1)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275313734 OVPXKVRXRZMBNG-SNVBAGLBSA-N 275.308 1.779 0 50 CDAA O=C(O)c1ccc(N2CCN3C(=O)CC[C@H]3C2)s1 168604963 YFUWKOMJBNVPAG-QMMMGPOBSA-N 266.322 1.257 0 50 CDAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cscn1 275460406 HAFVHVFJDUAPJF-RYUDHWBXSA-N 278.381 1.887 0 50 CDAA O=C(N[C@@H]1COc2ccccc21)c1c[nH]nc1[C@H]1CCOC1 275528554 MUHXBZKSHJNXIZ-GXFFZTMASA-N 299.330 1.777 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ncccc1O 277268164 GVWOKHGEDQLFEO-ONGXEEELSA-N 250.298 1.931 0 50 CDAA CC(=O)c1cc(C(=O)N[C@@H](C)C2=CCN(C)CC2)n(C)c1 272998607 RSNBVVRMGNZXSD-NSHDSACASA-N 289.379 1.608 0 50 CDAA C[C@@H](Oc1ccc(NC(=O)[C@@H]2CCCO2)cc1F)C(=O)O 630259955 SGQDXLAASFTVSB-PELKAZGASA-N 297.282 1.795 0 50 CDAA CSC[C@H](C)C(=O)N1CCC[C@@H]1CS(C)(=O)=O 585113633 BUERJTWFFFHFTM-VHSXEESVSA-N 279.427 1.021 0 50 CDAA Cc1occc1C(=O)N[C@H](CC(=O)O)C(F)(F)F 829371827 PXOYCFSVKSWAIL-SSDOTTSWSA-N 265.187 1.723 0 50 CDAA O=C(CN1C(=O)CCOc2ccccc21)Nc1cccnn1 736023694 MAOIQBBPABOPCK-UHFFFAOYSA-N 298.302 1.231 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(C)on2)C1 644116868 COPJPXFKZRTSHZ-KOLCDFICSA-N 276.296 1.308 0 50 CDAA CC(C)N(C)C(=O)[C@@H]1CCCN1C1CCOCC1 192940171 CTVOFHCQACHAKX-ZDUSSCGKSA-N 254.374 1.497 0 50 CDAA CC(=O)N1CCN(c2nc(-c3cccnc3)cs2)CC1 648294403 FLVXSWDEQHFIPS-UHFFFAOYSA-N 288.376 1.874 0 50 CDAA Cc1nnsc1C(=O)Nc1ccnn1C(C)C 194792868 BEPULMSTTRNMIB-UHFFFAOYSA-N 251.315 1.876 0 50 CDAA Cc1nn(C)c(C)c1OCC(=O)NOCC(F)(F)F 766768487 MFMWPQJMHPJOIB-UHFFFAOYSA-N 281.234 1.026 0 50 CDAA Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1csnn1 1615591772 ZYEAJDCDGCZGBX-QMMMGPOBSA-N 279.369 1.308 0 50 CDAA COCCNC(=N)NC12CC3CC(CC(C3)C1)C2 1615612235 DSYFGKLMBSNSOL-UHFFFAOYSA-N 251.374 1.716 0 50 CDAA C[C@H]1C[C@@H](NC(=O)CCN)CN1Cc1ccccc1 209869824 OYLLMQUUEAKRES-GXTWGEPZSA-N 261.369 1.114 0 50 CDAA CCCc1cc(C(=O)NC(C)(C)CCC(=O)NC)n[nH]1 1506420368 AHVMRUYPBKSORG-UHFFFAOYSA-N 280.372 1.397 0 50 CDAA O=C(NCC1(O)CCCCCC1)[C@@H]1C[C@H]2CC[C@H]1O2 225441629 HWRGXICAJMQYDW-JHJVBQTASA-N 267.369 1.755 0 50 CDAA CNC(=O)/C(=C\c1ccc(Cl)cc1)NC(C)=O 462555 HPNVRDQJQQLFDV-YRNVUSSQSA-N 252.701 1.563 0 50 CDAA CCOC(=O)C(C(=O)Nc1ccccc1)C(=O)OCC 1649094 UQFFIFUYIQXSPD-UHFFFAOYSA-N 279.292 1.368 0 50 CDAA Cc1cc(N2CC[C@@H](NCCC(C)C)C2=O)n(C)n1 236737108 LDDMCKZUOSFGEJ-GFCCVEGCSA-N 264.373 1.470 0 50 CDAA NCc1cc(C(=O)N2CCC[C@@H](N)C2)sc1Cl 1875287509 MFWCUAWMEOAKGR-MRVPVSSYSA-N 273.789 1.424 0 50 CDAA Cc1ccc(NC(=O)Cn2nc(C)c(C)cc2=O)cc1 1848442513 MDLOOEFHFBUWQR-UHFFFAOYSA-N 271.320 1.807 0 50 CDAA Cc1nc(CC(=O)N(C)c2cnn(C)c2)c(C)s1 157618455 IQTRPCAYTIOFDU-UHFFFAOYSA-N 264.354 1.699 0 50 CDAA Nc1nc(N)c2c(n1)NC(=O)C[C@H]2c1ccc(Cl)cc1 1772491130 PZPMVPJOBVBPHY-QMMMGPOBSA-N 289.726 1.769 0 50 CDAA Cc1ccc2c(C(=O)N3CCC[C@H]3C3(O)CC3)cnn2c1 1772815444 LGPZWWFBOHRLDD-AWEZNQCLSA-N 285.347 1.772 0 50 CDAA OCc1nc2ccc(-n3ccnc3[C@H]3CCCNC3)cc2[nH]1 1775979465 IJGZQKDOQJPGRB-NSHDSACASA-N 297.362 1.708 0 50 CDAA C[C@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H](C)O1 16580411 UTJMKSQGXMDKLO-AOOOYVTPSA-N 285.290 1.979 0 50 CDAA O=C(NCCCN1CCOCC1)c1ccc(F)cc1 19419618 CLYHTLUZSFPREV-UHFFFAOYSA-N 266.316 1.278 0 50 CDAA C[C@H]1CN(C(=O)CCCc2ccccn2)C[C@@H](C)N1 153260307 SLWBSKPEKXAKHM-BETUJISGSA-N 261.369 1.613 0 50 CDAA COC(=O)c1ccc(N)c(I)c1 393290 MRLVFVTVXSKAMX-UHFFFAOYSA-N 277.061 1.660 0 50 CDAA in-vitro CC[C@@H]1OCCC[C@H]1C(=O)NCc1ncnn1C(C)(C)C 408469778 QPRGHIOAEVENJM-NEPJUHHUSA-N 294.399 1.855 0 50 CDAA CCC[C@@](C)(O)C(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 328617465 CUYUNFNVJBCNIC-SWLSCSKDSA-N 294.399 1.166 0 50 CDAA CS(=O)(=O)C1(C(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)CCC1 333980892 ANUABVGVMPXLIB-CHWSQXEVSA-N 297.420 1.601 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 238086759 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Cc1nsc(NC(=O)c2c3c(nn2C)CCC3)n1 906835809 OACGLGIGONPZBY-UHFFFAOYSA-N 263.326 1.321 0 50 CDAA Cc1nc(O)c2c(n1)CN(c1ncc(C(=O)O)s1)C2 910387510 WKVDYXDNFFTXDV-UHFFFAOYSA-N 278.293 1.166 0 50 CDAA O=C(NC1CCCCCC1)[C@]12CNC[C@H]1CCOC2 911939927 XOLRQQVFMMLUNY-DOMZBBRYSA-N 266.385 1.452 0 50 CDAA C=CC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 848979208 PFCATARPMRHZPI-SNVBAGLBSA-N 295.364 1.245 0 50 CDAA CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)O 237002103 YRTUNKNGKFSCLR-VIFPVBQESA-N 251.282 1.710 0 50 CDAA C[C@H](CNC(=O)N[C@H]1CCCC12OCCO2)C1CC1 864095288 BSXKPEPRMGAYNF-PWSUYJOCSA-N 268.357 1.627 0 50 CDAA CC(C)(C)CC(=O)N[C@H](C(=O)O)[C@H](O)c1ccncc1 952849792 RMZNYXANHHAOMD-NWDGAFQWSA-N 280.324 1.121 0 50 CDAA CCn1nnc(C)c1CN1Cc2c[nH]nc2C[C@H](C)C1 952884042 SEYKCEGZTCMNLZ-JTQLQIEISA-N 274.372 1.524 0 50 CDAA CCCCNC(=O)N[C@H]1CCN(c2nc(C)cc(O)n2)C1 952882242 SUMGWWSDHIQVGC-NSHDSACASA-N 293.371 1.169 0 50 CDAA Cn1nccc1[C@H]1CC[C@](C(=O)O)(n2ccnc2)C1 1875280767 QDBQESXIRXASNO-GWCFXTLKSA-N 260.297 1.364 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc(C(C)(C)C)cn1 1875272996 QUJOYFJEPGVKSD-AATRIKPKSA-N 276.336 1.838 0 50 CDAA CCc1cccc2ccc(C(=O)N[C@@H]3COC[C@@H]3O)nc12 1875284680 HAFAGBDOXPXEND-KGLIPLIRSA-N 286.331 1.287 0 50 CDAA CCn1ncc(-c2nnc(-c3cccc(=O)n3C)o2)c1C 1875279265 KOIJQIVGRGNPDO-UHFFFAOYSA-N 285.307 1.627 0 50 CDAA CCc1ncc(C(=O)N[C@@H]2Cc3cccc(O)c3C2)[nH]1 1875263855 UCYVMMIQLFLPBL-SNVBAGLBSA-N 271.320 1.575 0 50 CDAA CCC(O)(CC)CNC(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875393870 NYZOIMDQBMRMOP-VHSXEESVSA-N 295.383 1.713 0 50 CDAA Cc1cccc(CONC(=O)[C@@H]2C[C@H]3C[C@@H]3CO2)n1 1875310931 HDGLASCDENECEE-WZRBSPASSA-N 262.309 1.363 0 50 CDAA CO[C@H]1C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1 1772715976 FWFCALXGWPCREW-IUCAKERBSA-N 259.302 1.343 0 50 CDAA C[C@H]1CC[C@@H](C(=O)NS(=O)(=O)Oc2ccccc2)C1 1775997230 YHOMAVQGTLKMFI-WDEREUQCSA-N 283.349 1.863 0 50 CDAA Cc1cccc(N2CC[C@H](NCCC(=O)O)C2=O)c1 1776004595 UPRJMPSIVNFQEA-LBPRGKRZSA-N 262.309 1.165 0 50 CDAA CC(C)(C)n1cnc(C(=O)N[C@@H]2CCCC3(C2)N=N3)n1 1776006837 WYYUPIWZPPNALG-SECBINFHSA-N 276.344 1.868 0 50 CDAA Nc1cccc(CNc2ncnc3c2CCCC3)n1 1187717074 PGOJOZKXVWDJSH-UHFFFAOYSA-N 255.325 1.945 0 50 CDAA O=S1(=O)CCC(N[C@@H]2CCc3ccccc3C2)CC1 37269951 TZWVVKWLRCMFGW-OAHLLOKOSA-N 279.405 1.711 0 50 CDAA O=C(O)c1cccc(N2CCC[C@]3(CCOC3)C2)n1 263433076 UIFIMNCJMJSENT-AWEZNQCLSA-N 262.309 1.787 0 50 CDAA CN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1ccc2c(c1)OCO2 39644536 SBKFDUTYUXGTPX-NOZJJQNGSA-N 277.276 1.409 0 50 CDAA C=CC(=O)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 404184072 ACFWICWWQPPDNO-HOTGVXAUSA-N 286.375 1.674 0 50 CDAA Cc1nccn1[C@H](C)C(=O)N(CC(=O)O)CC(C)C 426534495 RQNMVXVXVFRHLR-SNVBAGLBSA-N 267.329 1.322 0 50 CDAA CCOC(=O)c1cc2cc(S(=O)(=O)N(C)C)ccc2o1 260032778 IOECYZVWMLMUMD-UHFFFAOYSA-N 297.332 1.860 0 50 CDAA C(CN=c1nc2c(c[nH]1)CCCCC2)=C1CCNCC1 2325783268 JRDQMTUIZRDDQL-UHFFFAOYSA-N 272.396 1.889 0 50 CDAA Cc1ccc([C@@H]2CCN2C(=O)C2(C(N)=O)CCC2)cc1 2325810175 CEZFCTDCFTZWSR-ZDUSSCGKSA-N 272.348 1.924 0 50 CDAA C=CC(=O)N1CCC(n2nnc3ccccc32)CC1 2325895238 IUVZIJGZLDPHJH-UHFFFAOYSA-N 256.309 1.781 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C(=O)O)C2)cc1 287847 HIMLZRXNJNAMFK-RYUDHWBXSA-N 297.376 1.917 0 50 CDAA CC(C)C[C@H](NN1C(=O)c2ccccc2C1=O)C(=O)O 410072 FHMNHRUSKTWERX-NSHDSACASA-N 276.292 1.287 0 50 CDAA CCc1nnc(NC(=O)CSc2nccc(C)n2)s1 419513 NNDTVUBBYKDXLQ-UHFFFAOYSA-N 295.393 1.930 0 50 CDAA COC1(CN(C)C)CCN(c2ccncc2F)CC1 2356146730 SHKKQIIBCTWFJV-UHFFFAOYSA-N 267.348 1.768 0 50 CDAA NC(=O)c1ccc(OCc2ccc3c(n2)NCC3)cc1 2356154881 NXHZGYOKUYYZDV-UHFFFAOYSA-N 269.304 1.728 0 50 CDAA CC(C)C[C@H]1C[C@](C)(C(=O)CNc2nncs2)OC1=O 2828620 MYHRNAIZIKEEDA-TVQRCGJNSA-N 297.380 1.887 0 50 CDAA COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 3897566 PQBDQRBERNYQAC-UHFFFAOYSA-N 251.326 1.492 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1C(=O)c1ccc(C)cc1 4253070 JVZUDLORHQXHAK-LBPRGKRZSA-N 288.303 1.306 0 50 CDAA N[C@H](Cc1ccc(O)c(Br)c1)C(=O)O 6091892 HGWOSUKIFQMEIF-SSDOTTSWSA-N 260.087 1.109 0 50 CDAA endogenous,in-man CCn1c(S)nnc1CNC(=O)CC[C@H]1CCCCO1 110715387 VYALWNGPAQIGMX-SNVBAGLBSA-N 298.412 1.552 0 50 CDAA Cc1cc(=O)[nH]c2c1c(=O)[nH]n2[C@@H]1C[C@H](C)N(C)C[C@@H]1C 8578868 MVFIEUFRENOXDE-GARJFASQSA-N 290.367 1.228 0 50 CDAA CN1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21 9164628 OZPNYAHEDUKMPF-MRXNPFEDSA-N 280.283 1.638 0 50 CDAA biogenic CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](O)c1ccccc1)C2 100016396 ZTVIKZXZYLEVOL-YJNKXOJESA-N 275.348 1.888 0 50 CDAA world Cc1nn(C)cc1[C@H](C)NC(=O)CCc1csc(N)n1 20637137 WZWCRGCPCRPUAW-QMMMGPOBSA-N 293.396 1.577 0 50 CDAA O=C(CSC[C@@H]1CCCCO1)N=c1cccn[nH]1 346050002 HYMHHHOJAJVWDW-JTQLQIEISA-N 267.354 1.139 0 50 CDAA CCN1CCC[C@@H]1CNc1cc(CCN)nc(C)n1 67966788 DKVIHULQEBBUFP-CYBMUJFWSA-N 263.389 1.182 0 50 CDAA CC(C)(C)c1nc(N2CCOCC2)ncc1C(=O)O 115036552 HDFUHULGKLRKDB-UHFFFAOYSA-N 265.313 1.309 0 50 CDAA CCC[C@H]1C(=O)NCCN1C(=O)N(CC)C(C)C 119188235 XQTKKNNPELQNJG-NSHDSACASA-N 255.362 1.437 0 50 CDAA CN(C)CCc1noc(Cn2ncc3ccccc32)n1 20536451 GZHYKXQADLBSHT-UHFFFAOYSA-N 271.324 1.572 0 50 CDAA COCCN(Cc1cccnc1)C(=O)c1cc(C)nn1C 68159635 MRBJGZLNXVTGMK-UHFFFAOYSA-N 288.351 1.412 0 50 CDAA COC[C@@H](Nc1cc(OC)ncn1)c1ccnn1C 65371092 TXXHIZGAIWOJPE-SECBINFHSA-N 263.301 1.018 0 50 CDAA CCNC(=O)c1ccc(N[C@@H]2CCC[C@H]3OCC[C@@H]23)nn1 230155211 XHKLHUSPBDVPCJ-DMDPSCGWSA-N 290.367 1.596 0 50 CDAA O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1458122 LPHNSRGOBYCMLU-NSHDSACASA-N 269.322 1.314 0 50 CDAA C[C@H]1CCc2c(sc3ncn(CCC(N)=O)c(=O)c23)C1 32576511 WVVZAUGIDYAMQW-QMMMGPOBSA-N 291.376 1.458 0 50 CDAA O=C(NC[C@@H]1CCn2ccnc2C1)c1ccncc1Cl 328619592 GBWWTAUEXTYXIU-SNVBAGLBSA-N 290.754 1.924 0 50 CDAA CN(C)C(=O)c1ccc(NC[C@H](O)c2ccccc2)nc1 32511603 UDEALUINJMIMQW-AWEZNQCLSA-N 285.347 1.929 0 50 CDAA CCc1cnc([C@H](C)N2CCC(=O)NC2=O)s1 126096592 DHDSTINLBZGMJO-ZETCQYMHSA-N 253.327 1.708 0 50 CDAA O=C(O)C1(C(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 154856661 LHUZNAZCCUEUTQ-LBPRGKRZSA-N 293.294 1.590 0 50 CDAA CN(Cc1nccs1)C(=O)NCCCc1cnn(C)c1 74873183 MYHJPIXNSQZJIA-UHFFFAOYSA-N 293.396 1.651 0 50 CDAA CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1C 36450924 LTIJSBJNBACWEN-LKAWMXSOSA-N 280.320 1.469 0 50 CDAA CN(C(=O)NC1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CC1 368364738 XBOWBVWRSUACTA-GHMZBOCLSA-N 295.383 1.656 0 50 CDAA COc1cccc2c(=O)n([C@H](C)Cn3cccn3)cnc12 32509000 ZTZOQPFHINRFTJ-LLVKDONJSA-N 284.319 1.863 0 50 CDAA CC(C)Cc1cc(CNC(=O)[C@H]2CC[C@@H](N)C2)no1 72448088 JOWKYKKANJSWFU-WDEREUQCSA-N 265.357 1.617 0 50 CDAA CNC(=O)N1CCC2(CC1)C[C@H](O)c1ccccc1O2 914127095 WHSMRQUZLDIBLP-LBPRGKRZSA-N 276.336 1.677 0 50 CDAA C[C@H]1CCCN(C(=O)/C=C/c2ccnn2C)[C@H]1CN 156908028 GDVOBBWQOYIQSU-ILBNWAPMSA-N 262.357 1.019 0 50 CDAA CCCc1cc(C(=O)N2CCC[C@@H](N)CC2)no1 72153367 DNTXCEZEKYNEIY-SNVBAGLBSA-N 251.330 1.581 0 50 CDAA Cc1cc(C)n(CC(=O)NC[C@@H]2OCCc3ccccc32)n1 370893860 XLJARXVHUHKUHH-INIZCTEOSA-N 299.374 1.930 0 50 CDAA O=C(CN1CCCCCCC1)N1CCn2cncc2C1 72148474 UJOUWESPIZSZLZ-UHFFFAOYSA-N 276.384 1.491 0 50 CDAA COC1CCC(NC(=O)NC[C@@H](O)C2CCC2)CC1 333607638 NMTFGQXNSCSKPH-WXRRBKDZSA-N 270.373 1.404 0 50 CDAA CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H]2C(=O)O)s1 237313674 ZXADGSSIXFFBLB-IUCAKERBSA-N 298.364 1.848 0 50 CDAA Cn1cc(C(=O)N2CCC[C@@H](CCO)CC2)c(C2CC2)n1 333796607 XJGRBAQWTLYOFA-GFCCVEGCSA-N 291.395 1.922 0 50 CDAA O=C(N[C@H]1CN2CCC1CC2)c1cn(-c2ccccc2)nn1 72164974 JXELNNAUCLLLSX-AWEZNQCLSA-N 297.362 1.091 0 50 CDAA Cc1c(CNC(=O)[C@H]2NCCO[C@@H]2C)oc2ccccc12 262287830 OMBNOVNSNPTQCG-ABAIWWIYSA-N 288.347 1.734 0 50 CDAA CC(C)N1CCC(C(=O)N2C[C@@H](F)C[C@H]2CO)CC1 334477488 PEMDSQFGPYSHED-STQMWFEESA-N 272.364 1.038 0 50 CDAA COC[C@@]1(C(=O)O)CCCN(C(=O)CCC2CCC2)C1 262881956 KRVIKDMUGSZKCV-OAHLLOKOSA-N 283.368 1.907 0 50 CDAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cc(-c2ccccc2O)n[nH]1 219763114 UXQMJTXICMCBLG-ZETOZRRWSA-N 299.330 1.690 0 50 CDAA CC(C)C(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2)C1 263011550 XFRWMJQWMOAOJE-QWHCGFSZSA-N 261.321 1.969 0 50 CDAA CN(C)Cc1ccc(-c2nc3c([nH]2)CCCNC3=O)cc1 216375957 HDBXNAFEWGYLFB-UHFFFAOYSA-N 284.363 1.814 0 50 CDAA O=C(N1Cc2ccccc2CO1)[C@@]1(O)CCSC1 335876913 DPPJMHJBUPUPOK-CYBMUJFWSA-N 265.334 1.328 0 50 CDAA CCCc1cc(C(=O)NCCc2nc(CC)no2)no1 82098545 GSUOASGAILSNMM-UHFFFAOYSA-N 278.312 1.545 0 50 CDAA COCCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)N(C)C 426396398 JWWFHCCSQKSMNU-GFCCVEGCSA-N 282.359 1.751 0 50 CDAA C[C@H](N)CCNC(=O)Cc1csc(-c2ccoc2)n1 178657241 WMHMHAFCVBXBFT-VIFPVBQESA-N 279.365 1.799 0 50 CDAA CN(C)C(=O)CCN(C)C(=O)c1ccc2c(c1)CCCO2 426510601 IGOGYKARQKUCID-UHFFFAOYSA-N 290.363 1.562 0 50 CDAA CN1CC[C@@H](NC(=O)c2scc3c2CCCC3)C1=O 220009403 DVDFMSXIASUDIL-LLVKDONJSA-N 278.377 1.587 0 50 CDAA CC(=O)NC(C)(C)C(=O)N(C)Cc1n[nH]c2c1CCCC2 426518783 LFOKCDQALWHAPA-UHFFFAOYSA-N 292.383 1.162 0 50 CDAA CNC[C@H]1CCN(C(=O)c2ccc(-n3cccn3)cc2)C1 178980460 FLBRRZCOFKONDJ-CYBMUJFWSA-N 284.363 1.554 0 50 CDAA c1cnc2[nH]cc(CCN=c3[nH]cnc4c3CCC4)c2c1 532781148 SOMKFDYFMDJRTH-UHFFFAOYSA-N 279.347 1.918 0 50 CDAA CC[C@](C)(CC(=O)O)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 237115200 KOTJAOUGFFLIDT-QMTHXVAHSA-N 284.356 1.003 0 50 CDAA Cc1cc(F)ccc1C(=O)N1C[C@H](CO)[C@H](CN(C)C)C1 91651547 NSHLZVDQVNJEIX-CHWSQXEVSA-N 294.370 1.376 0 50 CDAA CC(C)c1noc([C@@H](C)NC(=O)N2CCC(O)CC2)n1 426697595 VEQZOXRGQRKYDK-SECBINFHSA-N 282.344 1.420 0 50 CDAA c1cc(CN[C@@H]2CCSC2)cc(-c2nnn[nH]2)c1 95220659 YLLHVGFGTBOLPF-LLVKDONJSA-N 261.354 1.462 0 50 CDAA Cc1cnc(CNC(=O)N2CC(N3CCCC[C@@H]3C)C2)[nH]1 426661366 RAXPSKWSWUNTQG-LBPRGKRZSA-N 291.399 1.486 0 50 CDAA Cc1cccc([C@H](C(=O)NCc2cc(C)[nH]n2)N(C)C)c1 95368992 RCBNVDDXSIQPJH-OAHLLOKOSA-N 286.379 1.946 0 50 CDAA CCN(CC(F)(F)F)C(=O)Cn1cccc(OC)c1=O 95524236 SBNHSMBAUCJMOK-UHFFFAOYSA-N 292.257 1.268 0 50 CDAA CNc1ccccc1C(=O)N1CCN(c2cnn(C)c2)CC1 293690841 KEJZOPPBFYAGDQ-UHFFFAOYSA-N 299.378 1.424 0 50 CDAA O=C(NC1(C(=O)O)CCC1)c1ccc(O)cc1F 232380156 LXEZYHJOBIKZIJ-UHFFFAOYSA-N 253.229 1.268 0 50 CDAA COCC[C@]1(CO)CCCN(c2cc(OC)ncn2)C1 91586765 BUAHTAQEUPHYGO-CQSZACIVSA-N 281.356 1.101 0 50 CDAA COc1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)nn1 294502440 ZVBKFLKVIQMBCC-LLVKDONJSA-N 274.328 1.331 0 50 CDAA COc1ccc(-c2cncc(C(=O)N3CCCC3)n2)cn1 97813838 YEZLDXAABDLDRY-UHFFFAOYSA-N 284.319 1.783 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@@H]([C@H](C)N)C2)cn1 299738819 GWEGYSOPVGKASS-GXTWGEPZSA-N 261.369 1.518 0 50 CDAA COCc1nc(CN(C)CCc2scnc2C)no1 240203795 JTMHKBSKYJCPJV-UHFFFAOYSA-N 282.369 1.655 0 50 CDAA CC[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1Cc1ccccc1)[C@@H]42 244811358 SBMJODKIBJOTSH-DDHKBXJMSA-N 299.370 1.777 0 50 CDAA CSCc1noc(CN(C)CCn2ccnc2C)n1 244707965 KKWFQUWARLYISV-UHFFFAOYSA-N 281.385 1.570 0 50 CDAA O=C(Nc1n[nH]c2c(Cl)cccc12)[C@H]1CCCN1 182821221 ANVSNPTVLJOULF-SECBINFHSA-N 264.716 1.907 0 50 CDAA C[C@H](c1ccccc1)N1C(=N)S[C@@H]2CS(=O)(=O)C[C@H]21 251577512 VPTURGDGEBLVCX-YUSALJHKSA-N 296.417 1.897 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CNCC(C)(C)O2)C1 253388076 BBHDSFHBVLRZHG-UHFFFAOYSA-N 256.346 1.374 0 50 CDAA CS(=O)(=O)CCC(=O)N1CC[C@@H]1c1ccc(F)cc1 618049349 AKOBZOPSSHRIOA-GFCCVEGCSA-N 285.340 1.534 0 50 CDAA C[C@@H](NC(=O)c1ccc(Cl)cn1)c1ncnn1C 354552928 VMMQYZGMNWHTKM-SSDOTTSWSA-N 265.704 1.355 0 50 CDAA O=C(O)c1ncc(C(F)(F)F)cc1-n1ccnc1 263624216 OKHNABIQJIIFNM-UHFFFAOYSA-N 257.171 1.984 0 50 CDAA CC1(C(=O)NC[C@@H]2CCN(C3CCCCC3)C2)COC1 534635500 GWZJIZCYQCRASB-ZDUSSCGKSA-N 280.412 1.794 0 50 CDAA CC(C)(C)OC(=O)C(=O)Nc1ccc(CCN)cc1 261506730 ALXOMXHFDMCHPR-UHFFFAOYSA-N 264.325 1.468 0 50 CDAA CCOCCC(=O)N1CCCC2(CCOCC2)C1 377819707 YCYJMFZVOZTHML-UHFFFAOYSA-N 255.358 1.832 0 50 CDAA Cc1cc(C(=O)Nc2ccnn2Cc2ccncc2)nn1C 1940197781 QBWCQKVRUVEBSE-UHFFFAOYSA-N 296.334 1.621 0 50 CDAA CSCC[C@H](O)C(=O)NCCn1nc(C)c(C)c1C 299773395 GVVNBQMSRRDVIP-LBPRGKRZSA-N 285.413 1.039 0 50 CDAA Nc1cc(C(=O)N2CCCN(C3CCCC3)CC2)n[nH]1 299801503 ZLTMHFPSVPOFDQ-UHFFFAOYSA-N 277.372 1.082 0 50 CDAA C[C@@H](CS(C)(=O)=O)N1CCC(CN2CCCC2)CC1 821740679 YCTHRDWWLZQORB-ZDUSSCGKSA-N 288.457 1.227 0 50 CDAA CCC[C@H](CNc1ncc(C)c(N(C)C)n1)N(C)C 584896866 YUDCEUNFJOBJBH-GFCCVEGCSA-N 265.405 1.993 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1ccc2nc(CO)[nH]c2c1 584885419 QLUPPDIKLPLGJI-UHFFFAOYSA-N 299.334 1.359 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2cc(F)ccc21 581737886 VOGRKHPUDNHFNA-OLZOCXBDSA-N 277.295 1.931 0 50 CDAA O=C1C[C@@H](NCCCNC(=O)c2cccs2)CCCN1 585134821 KTWCFVLQDHHNHM-NSHDSACASA-N 295.408 1.126 0 50 CDAA COCc1nc([C@H]2CCOC2)n(-c2ccncc2)n1 670451698 CALJHNSAILPCPU-JTQLQIEISA-N 260.297 1.313 0 50 CDAA CC(C)CC(=O)N1CCN(C[C@H]2CCCOC2)CC1 670439138 JTAYOUQJWVUZCC-CQSZACIVSA-N 268.401 1.603 0 50 CDAA CCc1nc(CNC(=O)NCC2(COC)CCC2)co1 1365149907 XBYYNFBGSGGIGD-UHFFFAOYSA-N 281.356 1.853 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cn1nc2ccccc2n1 670465631 YXWITIIUKGWDLI-SECBINFHSA-N 298.350 1.649 0 50 CDAA Cc1ncn(CCN[C@@H](C)CN(C)C(C)C)c1C 670457318 ZGTHVUQOZGMSGU-LBPRGKRZSA-N 252.406 1.818 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@H](C)Cc3cnn(C)c3)c2n1 1337303423 KWNZMQBKLAKDPM-LLVKDONJSA-N 298.350 1.132 0 50 CDAA CC(C)[C@H]1C[C@H](N2CCCC2)CN1Cc1nncn1C 1414071440 YMYOEKQQLXWTOM-UONOGXRCSA-N 277.416 1.510 0 50 CDAA Cc1cc(CCC(=O)N[C@H]2CCNC23CCC3)no1 1354382235 SNDXSRGUTSTPOG-LBPRGKRZSA-N 263.341 1.316 0 50 CDAA Cc1cc(NC(=O)[C@@H]2C=CCN2)cc2sc(N)nc12 952972384 ZWSMSFCEZMEQNT-VIFPVBQESA-N 274.349 1.653 0 50 CDAA C[C@@H]1CCN[C@H](C(F)(F)F)[C@@H]1NC(=O)C(F)(F)F 958644903 GTQOSWWDWQRJCK-PBXRRBTRSA-N 278.196 1.594 0 50 CDAA C[C@@H]1CCCCN1C1CN(C(=O)CN2CCCCCC2)C1 952990109 GBQQOBJCIXULPV-OAHLLOKOSA-N 293.455 1.948 0 50 CDAA O=C(CCNC1(CO)CCC1)Nc1cccc(F)c1 952878162 ZHXNHOBAUZLBQU-UHFFFAOYSA-N 266.316 1.659 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)c2ccns2)C1 958528252 LLILTSKFDXHRON-ZWNOBZJWSA-N 299.396 1.515 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cn2cccc(C)c2n1 1565513638 YVFIYGRZDPUJNT-STQMWFEESA-N 289.335 1.176 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cc2sccc2[nH]1 1565526185 GTACOMCDLIHOEW-QWRGUYRKSA-N 280.349 1.763 0 50 CDAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1cscn1 275521287 LECBQDTZBSGYLE-GXFFZTMASA-N 278.381 1.744 0 50 CDAA CO[C@H](C)c1nc(CN(C)C(=O)N(C)C)cs1 170021969 WCKIPIQWHIEQIO-MRVPVSSYSA-N 257.359 1.964 0 50 CDAA 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CCC[C@H]1COCCN1C(=O)c1cnn2ccn(C)c12 65394699 MEDPRLRYDUZHDJ-NSHDSACASA-N 276.340 1.314 0 50 CDAA CCc1ccccc1NC(=O)CN(C)S(C)(=O)=O 22606463 ROAJMHUWTKXJGS-UHFFFAOYSA-N 270.354 1.079 0 50 CDAA Cc1nn(C)c2ncc(N[C@H](C)CC(=O)N(C)C)cc12 128220869 KEGLHDYEFPOAEL-SECBINFHSA-N 275.356 1.555 0 50 CDAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C(N)=O)C(C)C 230151070 MXFYDEQHFPEDPJ-MQYQWHSLSA-N 298.427 1.986 0 50 CDAA COc1ccc([C@H](NC(=O)c2cnnn2C)C2CC2)cc1 281054365 SRWMGGXYIVHIBF-CQSZACIVSA-N 286.335 1.705 0 50 CDAA COC(=O)c1ccc(C)c(NC(=O)c2ccn(C)n2)c1 1002068 IZSZSMWTKDULGD-UHFFFAOYSA-N 273.292 1.767 0 50 CDAA O=C(O)Cn1cc(NC(=O)CCOc2ccccc2)cn1 38029724 NIBHSFJVEHSQIS-UHFFFAOYSA-N 289.291 1.375 0 50 CDAA Nc1nccnc1C(=O)Nc1cccc(-c2ncc[nH]2)c1 124438950 DRVNICCWGMJOLO-UHFFFAOYSA-N 280.291 1.701 0 50 CDAA Cc1cc(C)c(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)o1 328642783 YMHHUCSHQCUKQA-AAEUAGOBSA-N 289.335 1.890 0 50 CDAA COCc1nc(CNC(=O)CSc2ccncc2)no1 219313281 FZHCHTKKIOOWNW-UHFFFAOYSA-N 294.336 1.020 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CCCOC2)cn1 328637796 OVIWYJAQHHXUHV-HZSPNIEDSA-N 265.357 1.409 0 50 CDAA COCc1cc(CN2C[C@@H]3CN(C)C[C@@H]3C2)ccc1OC 216113359 NGKMNSOGIXYXFP-IYBDPMFKSA-N 290.407 1.835 0 50 CDAA CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 36289216 PSXKCNHXVNGMOQ-UHFFFAOYSA-N 288.800 1.666 0 50 CDAA CN(CCN1CCOC1=O)[C@H]1Cc2ccccc2[C@H]1O 241590506 PFKVXLHPNBMHBA-UONOGXRCSA-N 276.336 1.029 0 50 CDAA CN(CC1(O)CCCC1)C(=O)c1cccnc1S 153962155 WLBVXQBNYSWSKF-UHFFFAOYSA-N 266.366 1.747 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 363190722 ZPPPHSQSPHXEKN-FRRDWIJNSA-N 279.340 1.426 0 50 CDAA CNCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 37822445 FWWMESRISCGHGG-LBPRGKRZSA-N 268.744 1.459 0 50 CDAA COC[C@]1(C)NC(=O)N(Cc2sccc2Cl)C1=O 332696399 WHVNUSDUJDNQCM-NSHDSACASA-N 288.756 1.858 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H](CC(N)=O)C2)c(C)n1C1CC1 368646501 VQROONWFDODVGJ-LBPRGKRZSA-N 289.379 1.777 0 50 CDAA COc1ccc(CN2C[C@@H](O)C3(CC3)C2)c(OC)c1 368728582 JPQXTRFMIIUSOP-CQSZACIVSA-N 263.337 1.661 0 50 CDAA CS(=O)(=O)Nc1ccc(N)cc1Br 36743410 UPFULSAWOMTSII-UHFFFAOYSA-N 265.132 1.403 0 50 CDAA Oc1nc(N2CCN(CC3CCCC3)CC2)ncc1F 32576690 PSPARVAKUWIDCQ-UHFFFAOYSA-N 280.347 1.634 0 50 CDAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H]1CN 237632195 AXLXBZKCAZIOGG-VHSXEESVSA-N 284.306 1.682 0 50 CDAA C[C@H]1C[C@H]1C(=O)NCCc1ccc(OCC(=O)O)cc1 237638950 ULTRKOFVVRDBHA-GXFFZTMASA-N 277.320 1.465 0 50 CDAA Cc1nc(C(=O)N[C@H](C)c2ccc(F)cc2F)n(C)n1 334669034 LHOFKSBRGKKXGJ-SSDOTTSWSA-N 280.278 1.893 0 50 CDAA CC[C@](C)(NC(=O)c1cc(C(C)C)nn1C)C(=O)O 262412438 JIAKDBXBSBSALC-ZDUSSCGKSA-N 267.329 1.527 0 50 CDAA CCN(CCCCO)c1cc([C@H]2CCOC2)nc(C)n1 426602486 MDTCZQCZZDCWRO-ZDUSSCGKSA-N 279.384 1.888 0 50 CDAA CC(C)[C@@H](C(N)=O)n1cnc2c(F)cccc2c1=O 42460208 ZNDIYHQTNDSNPU-NSHDSACASA-N 263.272 1.218 0 50 CDAA CCO[C@H](C)C(=O)N(C)Cc1noc(CC(C)C)n1 426486187 PCBDODHVARMJPB-SNVBAGLBSA-N 269.345 1.652 0 50 CDAA O=C(Cn1cccn1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223744236 AXULNPTYUTZHPO-XZDPQHSOSA-N 289.379 1.593 0 50 CDAA Cn1ccnc1SCCNC(=O)C(C)(C)N1CCCC1 426399382 JJLDENHAIUFFOA-UHFFFAOYSA-N 296.440 1.503 0 50 CDAA O=C(CCC(F)(F)F)N1CCC(c2ncn[nH]2)CC1 82981171 QGBRREJKZDESBW-UHFFFAOYSA-N 276.262 1.853 0 50 CDAA CC[C@@H]1CCCCN1CC(=O)NCc1nccn1C 221246468 IPAYFAWOLGZSSI-GFCCVEGCSA-N 264.373 1.301 0 50 CDAA CCOC(=O)c1cn(CC(=O)c2ccsc2)nn1 221632796 CVXCZFDDNCWWHM-UHFFFAOYSA-N 265.294 1.399 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CC[C@H](C(=O)O)C1 237021456 CCZFTIYZGLMSST-VIFPVBQESA-N 281.283 1.771 0 50 CDAA O=C1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 95347205 SYTTZHPHENTYSR-UHFFFAOYSA-N 256.349 1.046 0 50 CDAA biogenic C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccnc(-n2ccnc2)c1 237451163 XYMUUHUFWDSZNZ-JSGCOSHPSA-N 299.378 1.609 0 50 CDAA COCC1(CNC(=O)c2cc(=O)cc(C)[nH]2)CCC1 426412795 SRMTYTUCWOHAEE-UHFFFAOYSA-N 264.325 1.230 0 50 CDAA C[C@@H]1CN(c2nccnc2N(C)C)CC[C@@]1(O)C1CCC1 91713507 NCDPQHDWLRCNMO-WBMJQRKESA-N 290.411 1.920 0 50 CDAA CN1C[C@@H](N)C[C@H]1C(=O)NCc1ccc2c(c1)CCCC2 97468671 IJYXWDMZLYQVQZ-HOTGVXAUSA-N 287.407 1.213 0 50 CDAA CC(=O)c1ccc(-c2nc(N)nc3[nH]ncc23)cc1 97515145 SXAJUARZNSHXEJ-UHFFFAOYSA-N 253.265 1.805 0 50 CDAA Cc1nc(N)cc(N2CCN[C@@H](c3ccccc3)C2)n1 91768818 ALUSIDXCXLQOEZ-CYBMUJFWSA-N 269.352 1.518 0 50 CDAA Cc1cn2nc(C(=O)O)cc2c(Br)n1 230458239 TXXSBANFEFKALP-UHFFFAOYSA-N 256.059 1.498 0 50 CDAA Cc1ncc(S(C)(=O)=O)c(NCc2cc(C)on2)n1 95362914 JNNOCHGOIHSOFQ-UHFFFAOYSA-N 282.325 1.097 0 50 CDAA COc1ccc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)o1 91644017 FMZFUVOIFGCGTN-HNNXBMFYSA-N 292.335 1.373 0 50 CDAA CN1CCC[C@@H]1CC(=O)NCCNc1cccnc1 97394011 VNINAVWPEKPVBA-CYBMUJFWSA-N 262.357 1.094 0 50 CDAA OCc1cc(F)cc(I)c1 96028520 FVPNYCKCRUTKOB-UHFFFAOYSA-N 252.026 1.923 0 50 CDAA C[C@H](c1ccncn1)N(C)Cc1ccc(C(=O)N(C)C)o1 244787957 QGYRKUBFLXHMHX-LLVKDONJSA-N 288.351 1.964 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H]1CCCCNC1=O 248893294 GOEIJTLSDPPCPR-CYDGBPFRSA-N 264.369 1.598 0 50 CDAA Cc1nnsc1CN(C)Cc1noc([C@@H]2CCCO2)n1 244795434 RGHZQJIZQKMMQN-VIFPVBQESA-N 295.368 1.713 0 50 CDAA C[C@@H]1C[C@H](NCc2nncn2-c2ccccc2)[C@@H](C)O1 296284602 FKHXGCFFTVXXMQ-BZPMIXESSA-N 272.352 1.923 0 50 CDAA CC[C@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1CC(F)F 182909325 ULFHNPKEQAPIGZ-JQWIXIFHSA-N 277.359 1.158 0 50 CDAA CCCN(CC(=O)O)C(=O)c1occc1Br 184897535 AWISEXDOKSSLPV-UHFFFAOYSA-N 290.113 1.979 0 50 CDAA Cc1cc(C)n([C@H](C)CNC(=O)Nc2cn(C)nn2)n1 299776483 LHTIBKOCBFPLPI-SNVBAGLBSA-N 277.332 1.011 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)NCc1cccs1 828029636 GKQLCCPITQYVKR-UHFFFAOYSA-N 290.392 1.785 0 50 CDAA C[C@@H](NC(=O)CN1CCCC1=O)C1=CCCCC1 827832033 ZXAJMANJBRHYOU-LLVKDONJSA-N 250.342 1.614 0 50 CDAA CC[C@@H](C)Cc1nc(-c2ccon2)n(CCO)n1 828778251 BNMVEMRMBQNJBO-SECBINFHSA-N 250.302 1.514 0 50 CDAA CCCc1nc(-c2nc3csnc3c(=O)[nH]2)co1 585137140 JZELRNKMOMWQQA-UHFFFAOYSA-N 262.294 1.987 0 50 CDAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H](O)C(C)C)n1 584895148 AEXVRXRHGKWARH-SNVBAGLBSA-N 291.273 1.437 0 50 CDAA CCOC(=O)c1ccc[n+]([O-])c1/C=C/c1ccnn1CC 585136059 OFNZVXHLOPTPKD-BQYQJAHWSA-N 287.319 1.884 0 50 CDAA COCCn1cncc1CNC(=O)c1cc(C)nc(C)c1 584902774 KUJAHYJQLZMAIM-UHFFFAOYSA-N 288.351 1.471 0 50 CDAA C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1cnnn1C 585134844 LVTGDIZJMGHJQX-OCCSQVGLSA-N 289.383 1.896 0 50 CDAA C/C(Cl)=C/CS(=O)(=O)c1n[nH]c(C2CC2)n1 585136526 JLBXPCZEMRAHNI-XQRVVYSFSA-N 261.734 1.598 0 50 CDAA O=C(NCc1nc(O)n[nH]1)c1ccc2scnc2c1 670457688 AFLFZVDDIFDZPO-UHFFFAOYSA-N 275.293 1.050 0 50 CDAA O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](c2nn[nH]n2)C1 1349002331 MFESVMWWLLVUOW-SNVBAGLBSA-N 296.334 1.240 0 50 CDAA CN(C)c1nc(CNC(=O)C23CCCN2CCC3)cs1 1361741091 WMQDINHYRCQKEB-UHFFFAOYSA-N 294.424 1.454 0 50 CDAA CN(C)c1cc(CN2CCn3cncc3C2)ccn1 1559883048 DFLNPZULQCCSRV-UHFFFAOYSA-N 257.341 1.360 0 50 CDAA CC[C@@H](NC(C)=O)c1n[nH]c(COc2ccccc2)n1 952862217 NLQUFFJBSBDBGD-GFCCVEGCSA-N 274.324 1.971 0 50 CDAA CCc1[nH]nc(-c2nc(-c3ccco3)nn2CCO)c1C 952980059 XFUJYKKDSOGWEZ-UHFFFAOYSA-N 287.323 1.791 0 50 CDAA CCCCNC(=O)N1CCC[C@@H](c2cn(C)nn2)C1 1562010884 KWBVIAJAPITURC-LLVKDONJSA-N 265.361 1.504 0 50 CDAA O=C(C1CCCCC1)N1CCCN([C@H]2CCOC2)CC1 1565522101 QABWFPRKBYGWRM-HNNXBMFYSA-N 280.412 1.890 0 50 CDAA Cc1ccccc1S(=O)(=O)NCc1cccnc1 362681 VOEPZRJQAQFRPF-UHFFFAOYSA-N 262.334 1.869 0 50 CDAA COc1ccc2c(c1)[C@H](NC[C@@H](O)CN(C)C)CCCO2 305112170 GIVXVRZWBZVMSE-IUODEOHRSA-N 294.395 1.421 0 50 CDAA Nc1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)ccn1 170089296 YQVZEGBIOPTIAC-HNNXBMFYSA-N 291.395 1.824 0 50 CDAA CNC(=O)C1CN(C(=O)[C@H](C)Oc2ccccc2Cl)C1 186137752 KMZFPGIWWNCPCO-VIFPVBQESA-N 296.754 1.312 0 50 CDAA C[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2F)CCN1 188400664 XLLFBPNWAPVHKK-LLVKDONJSA-N 298.333 1.944 0 50 CDAA Cn1nccc1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 188687155 MWBDRQHLXOOCOO-PWSUYJOCSA-N 265.357 1.601 0 50 CDAA COC(=O)C1(CNC(=O)c2nc[nH]c2C(C)(C)C)CC1 585089363 HIIXHLDIRDGBNC-UHFFFAOYSA-N 279.340 1.390 0 50 CDAA CCOC(=O)[C@@H](F)[C@H]1CCN(c2nc(CC)ns2)C1 585092258 LZSICUZULWYJPU-WPRPVWTQSA-N 287.360 1.828 0 50 CDAA CC(C)OCCCN=c1ccc(-c2ccnn2C)n[nH]1 585092910 UAAGFJWLUVJHLE-UHFFFAOYSA-N 275.356 1.526 0 50 CDAA COCCOc1cccc(C(=O)N(C[C@H](C)O)C2CC2)c1 585091134 CKKZJHMOZWWQGZ-LBPRGKRZSA-N 293.363 1.697 0 50 CDAA COC[C@@H](NC(=O)c1cccn1C)C1CCOCC1 585113333 PKOYJZKYGFYFTD-GFCCVEGCSA-N 266.341 1.197 0 50 CDAA Cc1nc(CNC(=O)[C@@]23CCC[C@@H]2C3)sc1C(=O)O 643428482 XHDNLIACSFNJKD-AMIZOPFISA-N 280.349 1.956 0 50 CDAA CC(C)(O)[C@@H]1CCCN1Cc1cn(C(C)(C)C)nn1 191479647 ZILQEQFIJMWGJV-LBPRGKRZSA-N 266.389 1.768 0 50 CDAA C[C@@H]1OCCN(c2nc(=N)[nH]c3c2CCCC3)[C@@H]1C 645190717 NQARNTHFLNQRNH-ZJUUUORDSA-N 262.357 1.382 0 50 CDAA CC(C)OC[C@@H](O)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O 193848838 KAULIVBBXVLQOT-HZMBPMFUSA-N 286.372 1.129 0 50 CDAA COc1ccc([C@@H](C)CCNC(=O)NCC(=O)O)cc1 563927518 OGLDLVCZWWHVOK-JTQLQIEISA-N 280.324 1.573 0 50 CDAA COc1ccc(=O)n(CC(=O)NCCC2CCCCC2)n1 194572017 DCVGWRUBYZOIIF-UHFFFAOYSA-N 293.367 1.339 0 50 CDAA O=C(C[C@@H]1CCOC1)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653334031 WSZHWKCQKDVYLE-GDLCADMTSA-N 289.331 1.842 0 50 CDAA Cc1ccnc(OC2CCN(c3ncnn3C)CC2)c1 653467758 YDJAKTVHAAMEMG-UHFFFAOYSA-N 273.340 1.566 0 50 CDAA C=CC(=O)NCCC(=O)N1CC(Nc2ccc(F)cc2)C1 913492641 UIFCZSGNAUZDDV-UHFFFAOYSA-N 291.326 1.141 0 50 CDAA Cc1cnc(CCNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)c(C)c1 1615001314 PLMYNUNFKSFRPH-TUVASFSCSA-N 287.407 1.731 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1cnn(C(C)(C)C)c1 1615604601 APROZDJPZSISBY-UHFFFAOYSA-N 285.369 1.525 0 50 CDAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N[C@@H]3C2(Cl)Cl 137455375 GIVOSROXPRXLJK-ACLDMZEESA-N 284.208 1.898 0 50 CDAA Cc1ccc(CN(C)C(=O)c2cccc(-n3cnnc3)n2)o1 1506399907 FOGVPZWMLMEUOR-UHFFFAOYSA-N 297.318 1.836 0 50 CDAA CCN(CCCCO)Cc1cccc(C(=O)O)c1 220578510 OQHLNMYRKOEVQD-UHFFFAOYSA-N 251.326 1.979 0 50 CDAA Cc1ccc(C(=O)NCCn2cc(Cl)cn2)cc1O 220651259 CMXPNLONVNMENE-UHFFFAOYSA-N 279.727 1.981 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1F 222485874 XOOKKNOBOAZHCF-WISYIIOYSA-N 277.251 1.418 0 50 CDAA CCn1ncc(C)c1NC(=O)[C@@H]1CCCCN1C(C)=O 1529181303 RAQIRBIUMJAPGX-LBPRGKRZSA-N 278.356 1.551 0 50 CDAA CCOC[C@H](O)Cn1nnnc1C=Cc1ccccc1 1857533214 JRSMRUTXNZUPOI-CYBMUJFWSA-N 274.324 1.241 0 50 CDAA Cc1nc(-c2nc3ccccn3c2C)n(CCCO)n1 1857677816 NLVSVJDJLYLSEM-UHFFFAOYSA-N 271.324 1.592 0 50 CDAA CCC[C@H]1COC[C@H]2CN(CCn3ccnc3)CCN12 1875245371 XAYJMYHPXHREJW-LSDHHAIUSA-N 278.400 1.068 0 50 CDAA COC(=O)CCc1cccc(Cl)c1OCC(N)=O 408518409 GCSPBZGYUKKYNN-UHFFFAOYSA-N 271.700 1.310 0 50 CDAA Cc1ncc(CN(CCO)C(=O)c2sccc2C)[nH]1 1704329513 VSTMFNAGQOSICS-UHFFFAOYSA-N 279.365 1.723 0 50 CDAA CCCc1cnc(C)nc1N1CC[C@H](CC(=O)NC)C1 1704300847 ACCVTQRUYLJLBL-GFCCVEGCSA-N 276.384 1.700 0 50 CDAA CO[C@@H](C)C(=O)Nc1cccc(CCC(=O)O)c1 227931233 QUTVDJRVXVDAJK-VIFPVBQESA-N 251.282 1.677 0 50 CDAA O=C(O)CN(CC1CC1)C(=O)c1ccc(F)cn1 228564208 YVZKTOIHUIGIFX-UHFFFAOYSA-N 252.245 1.158 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CCNC[C@@H]1C 125459651 TXVNCXVXXBTTBC-IUCAKERBSA-N 251.330 1.215 0 50 CDAA CSCCC(=O)N[C@H]1CCOC2(CCOCC2)C1 491043275 ANWCICKLJWZGSK-NSHDSACASA-N 273.398 1.584 0 50 CDAA Cc1ccccc1NC(=O)N1CCN(S(C)(=O)=O)CC1 6725617 YQYDKULNJFAKKC-UHFFFAOYSA-N 297.380 1.104 0 50 CDAA Cc1nsnc1C(=O)N(C)CCc1noc(C(C)C)n1 1775984224 KLMOMQLIEGCZGR-UHFFFAOYSA-N 295.368 1.668 0 50 CDAA C[C@@]12C[C@@H]1CN(C(=O)c1ccc(N3CC(=O)NC3=O)cc1)C2 1772811161 QJBFXVZWVIHVOM-BZNIZROVSA-N 299.330 1.225 0 50 CDAA COc1nc(N[C@@H](CC(C)C)c2ncnn2C)ncc1F 1772703396 KXUYINXGNMAXLJ-JTQLQIEISA-N 294.334 1.952 0 50 CDAA NC(=O)/C=C\C(=O)Nc1cccc(C(F)(F)F)c1 13482292 OGNPTIHTAUNLNC-PLNGDYQASA-N 258.199 1.685 0 50 CDAA COc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169364083 UDBOPXKFAIRNQR-NDBYEHHHSA-N 289.287 1.288 0 50 CDAA CCOc1ccc(C(=O)NCC2(CO)CCOCC2)cc1 151717883 HAQZJMQQGJQCBS-UHFFFAOYSA-N 293.363 1.604 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(CC=Cc2ccccc2)C1 1857532641 SOHMIHWOLKSSJZ-MRXNPFEDSA-N 284.363 1.428 0 50 CDAA C[C@@H]1CN2C[C@@H](NC(=O)c3cccc(Cl)c3)C[C@H]2CO1 1857698472 SVNAHDJWOUZOPP-SWHYSGLUSA-N 294.782 1.931 0 50 CDAA CC[C@]12COC(=O)N1CCN(c1ccc(C(C)=O)cn1)C2 1857704075 CKTFFVQXJPPVSX-HNNXBMFYSA-N 289.335 1.705 0 50 CDAA CC(C)(C)[C@H](O)CNc1nccc(-c2cnccn2)n1 450328096 GJZIGLKBVNWYOL-GFCCVEGCSA-N 273.340 1.753 0 50 CDAA CCc1noc(CN2C(=O)[C@]3(CCNC3)c3ccccc32)n1 1875247657 ZPSQEKFQTBTSCT-INIZCTEOSA-N 298.346 1.410 0 50 CDAA O=C(NCCCn1ccnc1)C(=O)Nc1ccc(F)cc1 3024395 JFJXKELSPXNJPL-UHFFFAOYSA-N 290.298 1.167 0 50 CDAA CC(C)Oc1ccc(CCNC(=O)[C@H](O)C(C)(C)O)cc1 585121223 IWOJYHSBJIFXQX-AWEZNQCLSA-N 295.379 1.264 0 50 CDAA CCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 263762405 IFYOZKQPDMYNQH-NSHDSACASA-N 287.367 1.701 0 50 CDAA Cc1nnsc1[C@H](C)n1nc(-c2ccco2)oc1=O 901440478 SWWCOEWOFJEYEE-ZETCQYMHSA-N 278.293 1.866 0 50 CDAA Cc1cc(C)cc([C@H](O)CNc2ccc(C(=O)O)nn2)c1 844213316 WVRJREULXYLYBN-CYBMUJFWSA-N 287.319 1.937 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCc2cc(C)ccc21 858746455 ZJEKVLFJHNSLCK-CQSZACIVSA-N 272.348 1.743 0 50 CDAA O=C(NC1CCCC1)N1CCN(c2ncccn2)CC1 9874264 MYCFJUTVBNKMPM-UHFFFAOYSA-N 275.356 1.251 0 50 CDAA OCCn1ccc(=NCc2c(F)ccc(Cl)c2F)[nH]1 1875284714 IUCNBBYNMKAGIP-UHFFFAOYSA-N 287.697 1.841 0 50 CDAA Cc1cccc([C@@H](O)CNCc2cc3n(n2)CCCO3)c1 1875274110 IPVOZAUGUNOZPI-HNNXBMFYSA-N 287.363 1.797 0 50 CDAA COCc1nccc(CSc2nc(O)ncc2F)n1 1875292017 UBSLLIFQIOSSEC-UHFFFAOYSA-N 282.300 1.550 0 50 CDAA CN(Cc1cncn1C)C(=O)c1coc(CC2CC2)n1 1875278706 WYEFCFJFXLOTEC-UHFFFAOYSA-N 274.324 1.633 0 50 CDAA C=CC(=O)NC[C@]1(O)CCCc2ccc(OC)cc21 1875374943 KYGAMOKBQLRWJN-OAHLLOKOSA-N 261.321 1.521 0 50 CDAA O=C(N=c1[nH]oc2c1CCCCC2)[C@H]1CCCOC1 1875302895 LSRMJRPJSWWZML-JTQLQIEISA-N 264.325 1.731 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1CN(c1ncnc3[nH]cnc13)C2 1875304684 QXWCPCWNFDNBBL-KXUCPTDWSA-N 287.323 1.290 0 50 CDAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F 1875311334 VGVARGATPNWIOH-IGCDUFEOSA-N 299.317 1.893 0 50 CDAA O=C1CN(c2ccc3ncccc3n2)C[C@H]2CCCCN12 1875305703 YZJOCVYYSJKTAS-GFCCVEGCSA-N 282.347 1.831 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC[C@H]1c1ccc(F)c(F)c1 1875380545 RSWQPXLOQOLZHD-ZDUSSCGKSA-N 294.301 1.883 0 50 CDAA Cn1nccc1[C@H](O)CNC(=O)C1(c2ccccc2)CC1 886258808 KYIUGOATVIKVNR-CQSZACIVSA-N 285.347 1.302 0 50 CDAA COC(C)(C)CC(=O)Nc1c[nH]ccc1=NC1CC1 888095706 TYCAGHGBRGOQFI-UHFFFAOYSA-N 263.341 1.831 0 50 CDAA CC(C)[C@H](O)CN1CC[C@@](CO)(c2cccc(F)c2)C1 888101428 VJJSBVPODGPLCP-HZPDHXFCSA-N 281.371 1.778 0 50 CDAA CCN(CC(=O)OC)C(=O)c1c(Cl)ccc2c[nH]nc12 1775999372 PZMPNOLZQJKVOS-UHFFFAOYSA-N 295.726 1.851 0 50 CDAA C[C@H]1C[C@H](n2ncc3cn(C)nc3c2=O)C[C@@H](C)O1 899359782 GTMOMMKHLGISTF-DOFRTFSJSA-N 262.313 1.259 0 50 CDAA CN(C)CCCNC(=O)c1cccc2cccnc12 22501005 UMJAKNCDDYESEY-UHFFFAOYSA-N 257.337 1.916 0 50 CDAA C1=C[C@H]2C[C@H]1C[C@@H]2CNCCOC[C@H]1CCCO1 156142338 OYXSPBCNEATJKV-BYNSBNAKSA-N 251.370 1.984 0 50 CDAA CCNc1nc(C(=O)N2CCC[C@H](OCCO)C2)cs1 186730811 NTPBTYOKSOQXEE-JTQLQIEISA-N 299.396 1.188 0 50 CDAA Cc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)no1 407962726 NYTPOPUIXDRTTC-TUAOUCFPSA-N 279.340 1.534 0 50 CDAA Cc1nc([C@@H]2CN(Cc3c(Cl)cnn3C)CCO2)n[nH]1 328600546 YMEYOXPPGIAYGN-NSHDSACASA-N 296.762 1.074 0 50 CDAA CN1CCN(C(=O)CN2CCC3(CCCC3)C2)CC1 93177441 FBWTWQMGIDVXAN-UHFFFAOYSA-N 265.401 1.027 0 50 CDAA Cc1nn(C(C)C)cc1CN(C)[C@H]1CCCCNC1=O 374248488 BXDWCFSRPDZYQT-AWEZNQCLSA-N 278.400 1.873 0 50 CDAA O=C(O)CCCC(=O)Nc1cccc(C(=O)O)c1 151536 NCFQGQSIOGBLOT-UHFFFAOYSA-N 251.238 1.578 0 50 CDAA O=C(O)c1cc(I)ccc1O 156387 SWDNKOFGNPGRPI-UHFFFAOYSA-N 264.018 1.695 0 50 CDAA CN(C)CCNS(=O)(=O)c1ccc(Cl)cc1 577390 ZEIRXYXCGPDADI-UHFFFAOYSA-N 262.762 1.180 0 50 CDAA Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 966602 KUFKGDZHWPMXNX-NFFDBFGFSA-N 285.299 1.366 0 50 CDAA biogenic CC(C)(C)C(=O)NC(=S)N[C@@H]1CCSC1=O 4834257 KCJXSUDSJKGINZ-ZCFIWIBFSA-N 260.384 1.055 0 50 CDAA O=C(O[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 4952682 HGEZSIBCDBJVEL-JTQLQIEISA-N 274.725 1.684 0 50 CDAA CS(=O)(=O)Cc1ccc(C(=O)NC2CC2)cc1 6648055 UIABSBNIOYXTRK-UHFFFAOYSA-N 253.323 1.123 0 50 CDAA COc1ccc(CN2C[C@@H](C(=O)O)CC2=O)cc1OC 8016323 LAGVWNLMHYIYJP-JTQLQIEISA-N 279.292 1.137 0 50 CDAA CC(C)(C)OC(=O)N1CCc2n[nH]c(=O)cc2C1 8700319 CEWAOXZXQMSMQT-UHFFFAOYSA-N 251.286 1.063 0 50 CDAA Cc1ncsc1CCNC(=O)N[C@H]1CCCNC1 418248313 RXPWCIWUDSMIPZ-JTQLQIEISA-N 268.386 1.045 0 50 CDAA COc1ncc(C(=O)N2CCOc3ccccc32)cn1 20255380 RSXUHJCQJHXKNO-UHFFFAOYSA-N 271.276 1.524 0 50 CDAA C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cnnn2)c1 20427699 BBFVOEMPRYOUDS-FZMZJTMJSA-N 285.351 1.971 0 50 CDAA CCCN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H]1CCNC1 178903382 JWBIJBCASHUXLR-CYBMUJFWSA-N 290.363 1.558 0 50 CDAA Cc1cc2c(c(-c3cccc(N)n3)c1)O[C@H](CN)C2 67910308 QVERDXCFXVJOFX-NSHDSACASA-N 255.321 1.901 0 50 CDAA Cc1cccnc1C(=O)N[C@@H](C(=O)O)c1c(C)n[nH]c1C 67934236 QYXHTKURBZIDKN-GFCCVEGCSA-N 288.307 1.286 0 50 CDAA Cc1cnn([C@H](C)[C@H](C)N[C@H]2C[C@@H](C)OC2=O)c1 252474566 HPMNODGYQYOTHD-KXNHARMFSA-N 251.330 1.435 0 50 CDAA COc1ccccc1S(=O)(=O)CC1CCNCC1 34928971 HRBOXNDLHYGOKM-UHFFFAOYSA-N 269.366 1.469 0 50 CDAA Cc1cnc2c(C(=O)NCCOc3ccccc3)cnn2c1 65420635 CVMOBCSIZALDDB-UHFFFAOYSA-N 296.330 1.847 0 50 CDAA Cn1ncc2c1C[C@H](C(=O)Nc1nccs1)CC2 280972810 JKMUFDLCOXZGJT-MRVPVSSYSA-N 262.338 1.620 0 50 CDAA C/C(=C\c1ccccc1)CNC[C@@H]1CCNC[C@H]1O 72152334 DRGCIDMDCVBBQC-FKZVYCBESA-N 260.381 1.650 0 50 CDAA OCC1(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)COC1 121086162 KANMKIHTKLQCQH-RISCZKNCSA-N 299.317 1.081 0 50 CDAA CSCC[C@H](O)C(=O)NCc1n[nH]c2c1CCCCC2 216451564 CXROGORHZAHDJZ-ZDUSSCGKSA-N 297.424 1.409 0 50 CDAA Cc1cc(N2CCCN([C@@H](C)CO)CC2)nc(C2CC2)n1 364953169 FJBZMQVDUNEIBJ-ZDUSSCGKSA-N 290.411 1.555 0 50 CDAA Cc1ccc2oc(-c3nc(CCN(C)C=O)no3)cc2n1 328594937 GGWHYZPTCLKQHF-UHFFFAOYSA-N 286.291 1.817 0 50 CDAA CCOC(=O)[C@@H](C(C)=O)[C@@H](NC(C)=O)c1ccccc1 71771100 GMHTZOWJZBVCAF-KBPBESRZSA-N 277.320 1.632 0 50 CDAA Cc1cnn(CC(=O)N2CC=C(c3ccnn3C)CC2)c1 329318547 QYFIQDAHIZQSJI-UHFFFAOYSA-N 285.351 1.241 0 50 CDAA COCCN(C)c1nc(C(C)C)nc2c1cnn2C 72157788 XBKDJFWBLSCOAT-UHFFFAOYSA-N 263.345 1.569 0 50 CDAA CC(C)(O)[C@H]1CCCN1Cc1cc(C(N)=O)cs1 154430713 VAQBFRWLXOEMHW-LLVKDONJSA-N 268.382 1.582 0 50 CDAA COCCn1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 368528901 VXCXGYUMPPXGPX-MJBXVCDLSA-N 279.384 1.433 0 50 CDAA COC[C@H](O)CN1C[C@@H](C)CN(C)c2ccccc21 128003776 JRFSOWIHPOEFBN-QWHCGFSZSA-N 264.369 1.586 0 50 CDAA Cc1cc(=NC(=O)N(C)C[C@@H]2CCCN2C)[nH]n1C(C)C 333477937 FFFHIEAVBDTJOH-ZDUSSCGKSA-N 293.415 1.752 0 50 CDAA NCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 77421163 VYOYHHSEIPCSEW-NSHDSACASA-N 266.316 1.402 0 50 CDAA COc1ccc(F)cc1C(=O)N1C[C@@H](C)S(=O)[C@H](C)C1 334188958 KHOZLTSTORMSTB-NXEZZACHSA-N 299.367 1.816 0 50 CDAA OC[C@@H]1CCCCN1CCNc1ccc2cc[nH]c2n1 72430780 YNEMGRGMQANMLI-ZDUSSCGKSA-N 274.368 1.822 0 50 CDAA C[C@H](c1cccc(O)c1)N(C)C(=O)c1cnnn1C 282652450 HNJVUTSPKMUTJC-SECBINFHSA-N 260.297 1.354 0 50 CDAA Nc1cc(C(=O)NCc2cc(-c3ccccc3)n[nH]2)n[nH]1 219447968 LBQUSXZOQBYCGK-UHFFFAOYSA-N 282.307 1.312 0 50 CDAA Cc1cc(C(=O)NCc2nccn2CC(C)C)[nH]n1 130829734 OWTJODAKTAGZRP-UHFFFAOYSA-N 261.329 1.501 0 50 CDAA Cc1ncc(CN2CCC(O)(CN3CCCC3)CC2)[nH]1 216460686 UMWGTODJRDCMOP-UHFFFAOYSA-N 278.400 1.141 0 50 CDAA COC[C@@H]1[C@H](NC(=O)c2cc(C)ccc2O)[C@H]2CCO[C@@H]12 1074584802 SSFTWAXGSIOOEV-PZTHBURQSA-N 291.347 1.480 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(c2ncc(F)cn2)C1 284512737 JJDVBEVDCCQJIR-ZJUUUORDSA-N 278.291 1.009 0 50 CDAA Nc1c(C(=O)O)cnn1-c1cc(F)ccc1Cl 44893740 BAVCTQYCESDIDT-UHFFFAOYSA-N 255.636 1.945 0 50 CDAA C[C@@H]1CCC[C@@H](CC(=O)O[C@H]2CCS(=O)(=O)C2)C1 240540843 GPQQGQISJMNCEN-UTUOFQBUSA-N 274.382 1.933 0 50 CDAA CCc1cc(C(=O)NC[C@H](C)C(=O)O)oc1CC 192883402 CXENOLRHRYYDIN-QMMMGPOBSA-N 253.298 1.855 0 50 CDAA CC(C)n1ccc(C(=O)N(C)CCCc2nccn2C)n1 426526337 ZMGRJQBCXJWVDQ-UHFFFAOYSA-N 289.383 1.902 0 50 CDAA CCCN(CCO)c1cc([C@@H]2CCOC2)nc(C)n1 426441922 PQRWJEUNAHOVMI-GFCCVEGCSA-N 265.357 1.498 0 50 CDAA O=C(O)[C@@H]1CC2(CCN(c3ccc(Cl)cn3)CC2)CN1 82087542 LDHCZRDZHYZDQV-NSHDSACASA-N 295.770 1.768 0 50 CDAA C[C@@]1(C(=O)NCCCOc2cccnc2)CCCO1 426420316 ZLEPCXDKNYGELK-AWEZNQCLSA-N 264.325 1.536 0 50 CDAA CCCc1cc(C(=O)N2CCN(c3cccnc3)CC2)[nH]n1 91859404 QXXZUBDDQYYFMW-UHFFFAOYSA-N 299.378 1.720 0 50 CDAA Cn1cc(Cl)c(C(=O)N[C@@H](CO)c2ccc(F)cc2)n1 97360117 VHXWXOCBOMPMPM-NSHDSACASA-N 297.717 1.676 0 50 CDAA COc1cccc(-c2nc3c([nH]2)CCCNC3=O)c1 95392354 NYTCTLDWDQIKAS-UHFFFAOYSA-N 257.293 1.761 0 50 CDAA C[C@@H](NC(=O)C[C@H]1CCOc2ccccc21)C(=O)O 237633954 HYTSCTORFSRYCM-NXEZZACHSA-N 263.293 1.532 0 50 CDAA CO[C@H]1C[C@@H](O)C12CCN(c1ncnc3c1CCC3)CC2 91757173 NZCPVONVCKAHTL-KGLIPLIRSA-N 289.379 1.332 0 50 CDAA Cn1ncc(C(=O)NC[C@@H]2CCCc3ccccc32)c1N 181107279 GQZCRDHETLUPAF-LBPRGKRZSA-N 284.363 1.852 0 50 CDAA O=c1cc(CN2[C@H]3CC[C@@H]2CCNC3)nc2sccn12 244852707 UXEXKAQXLPXZJK-NEPJUHHUSA-N 290.392 1.082 0 50 CDAA Nc1ncc(CC[C@H]2COc3ccccc3O2)cn1 244795266 RCTLEZURSWZPBL-NSHDSACASA-N 257.293 1.831 0 50 CDAA C[C@H](NC(=O)CC1CCOCC1)c1ncc(C(=O)O)s1 621609964 YYROSAGOCRLLAQ-QMMMGPOBSA-N 298.364 1.835 0 50 CDAA Cc1nnc(CN2CCN3CCCC[C@@H]3C2)s1 299765715 QLTZJYMKPBMGJM-LLVKDONJSA-N 252.387 1.517 0 50 CDAA O=C(c1cnc2ccccc2c1)N1CCOC[C@@]12CCOC2 297064021 KZJMNFWIDUAKSB-KRWDZBQOSA-N 298.342 1.866 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)CCO1 299743565 LJHZVXLLNNHGIM-AVGNSLFASA-N 293.294 1.241 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)COc2cccc(F)c2)C1 299740345 YQPZBWGYRSSJEO-RYUDHWBXSA-N 280.343 1.790 0 50 CDAA CCS(=O)(=O)CC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 183825771 GEHACRNMPGIHPC-TUAOUCFPSA-N 273.398 1.458 0 50 CDAA COc1ccnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)c1 534676210 GGLWUYDETMUEJP-CQSZACIVSA-N 298.342 1.964 0 50 CDAA C[C@H](NS(=O)(=O)C1CC1)c1nc2ccccc2n1C 534584681 GBYBQFJGLPYAJJ-VIFPVBQESA-N 279.365 1.716 0 50 CDAA CC(=O)N[C@@H](C)C(=O)NCCc1nc2ccccc2o1 561420286 XHQNREWQGSBCLY-VIFPVBQESA-N 275.308 1.011 0 50 CDAA Cn1ccnc1CCNc1cc([C@@H]2CCOC2)ncn1 299784827 IBNBTCNFNQTUHZ-LLVKDONJSA-N 273.340 1.369 0 50 CDAA Cc1nn(CCNC(=O)Cc2ccncc2)c(C)c1C 299778071 RIWFEWZLHDCRAF-UHFFFAOYSA-N 272.352 1.562 0 50 CDAA CCOC(=O)CCC(=O)N1CCCSC1=S 725376893 YIBZGYLBRPMHFY-UHFFFAOYSA-N 261.368 1.580 0 50 CDAA O=C(O)[C@]12COC[C@H]1CN(CCOc1ccccc1)C2 662220755 VOUXCBBFIYYKJG-IUODEOHRSA-N 277.320 1.098 0 50 CDAA COC(C)(C)C[C@H](C)N1CCC(CO)(CN(C)C)CC1 824250086 PQJYJXCHXTYRQS-AWEZNQCLSA-N 286.460 1.826 0 50 CDAA CN(C)C[C@@H]1CCN(C(=O)CCC2CCCC2)C[C@H]1O 670457703 MENRWFLDSVMQFB-LSDHHAIUSA-N 282.428 1.728 0 50 CDAA CCc1csc(CCNC(=O)c2c[nH]c(=N)s2)n1 584902118 QFALGOBQXIKMDW-UHFFFAOYSA-N 282.394 1.547 0 50 CDAA CCOCCC(=O)NCc1nc(C)cc(C(F)(F)F)n1 584897190 TYEVDXAWTJDHBA-UHFFFAOYSA-N 291.273 1.847 0 50 CDAA COc1ccc(O)c(C(=O)NCC2(n3cccn3)CC2)c1 1548505489 NFHBFQDKOPSUHR-UHFFFAOYSA-N 287.319 1.516 0 50 CDAA CC1(C)OC[C@H](c2cn(CCCCCN)nn2)O1 958528055 RASYZPBITWCCPZ-LLVKDONJSA-N 254.334 1.231 0 50 CDAA C[C@@H](C(N)=O)N1CCC(CNC(=O)c2ccccc2)CC1 952976949 NQNOJWOTKCIKKI-LBPRGKRZSA-N 289.379 1.002 0 50 CDAA CC(=O)c1cc(CNCCN2CCCC[C@H]2CO)n(C)c1 952962445 BSFBBUBMRSGZIG-HNNXBMFYSA-N 293.411 1.164 0 50 CDAA COc1cc(CNCCN2CCCC[C@H]2CO)ccc1F 952988760 PDGPHAZABRZTOU-AWEZNQCLSA-N 296.386 1.771 0 50 CDAA CC1=C(C(=O)N2CC[C@H](n3nc(C)cc3C)C2)OCCO1 952988711 OWYLKYZLWUNUQO-ZDUSSCGKSA-N 291.351 1.552 0 50 CDAA Cc1nc(CS(=O)(=O)N2CCC[C@H]2C2CC2)no1 1463029283 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CC1(c2nccc(=NC(=O)COC[C@H]3CCCO3)[nH]2)CC1 585079587 OXNXFAHYZQFELD-LLVKDONJSA-N 291.351 1.084 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)(CNCc2cscn2)C1 585116596 CBRKSZGAHIIBBB-UHFFFAOYSA-N 299.396 1.215 0 50 CDAA CN(C)c1ccc([C@@H]2CCCN2C(=O)CC(C)(C)O)nn1 643903661 JBULWTDNAAIQED-LBPRGKRZSA-N 292.383 1.367 0 50 CDAA Cc1nnc(CCNC(=O)[C@H]2CCCN2C2CC2)s1 562219583 WEYYPNOYNDUPFL-LLVKDONJSA-N 280.397 1.132 0 50 CDAA COCc1cccc(S(=O)(=O)N[C@@H]2CCCN[C@H]2C)c1 193455647 SWRZQDYROQAWKE-SMDDNHRTSA-N 298.408 1.252 0 50 CDAA CO[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(F)(F)F 652068689 LJSPMPKCGNFTED-RQJHMYQMSA-N 269.219 1.029 0 50 CDAA Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)NCCO 195577817 MEWUAYXNLKKBFG-GFCCVEGCSA-N 288.351 1.915 0 50 CDAA Cc1nc(CCn2nnnc2C2CCOCC2)cs1 575734373 IYOAIBYWKZBSCW-UHFFFAOYSA-N 279.369 1.575 0 50 CDAA CO[C@H]1CCC[C@@H](CC(=O)N2CCC(C(=O)O)CC2)C1 668266677 RDCSDXIIMFFBBR-YPMHNXCESA-N 283.368 1.905 0 50 CDAA CN1CC[C@](N)(c2nc(C3CC(F)(F)C3)no2)C1 888078202 XRLZIWUIBMKWKR-SNVBAGLBSA-N 258.272 1.072 0 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6698326 RCMOKJPEXSEXRV-UHFFFAOYSA-N 275.348 1.903 0 50 CDAA C[C@]12C[C@@H]1CN(C(=O)CN1CCOc3ccccc3C1)C2 1775979374 LQKUSTVFXKBYEN-RHSMWYFYSA-N 286.375 1.749 0 50 CDAA CS(=O)(=O)C[C@H]1CCCN(c2ncnc3cc[nH]c23)C1 1772808097 GDEDPEQAWFNRDL-JTQLQIEISA-N 294.380 1.219 0 50 CDAA c1ccc(CNCc2nnc3n2CCSCC3)cc1 1772806818 GCVRSOKWTVTPBU-UHFFFAOYSA-N 274.393 1.857 0 50 CDAA CCN(C)C[C@]1(O)CCCN(CC2CCCCC2)C1=O 12205489 AGWUNTCOTMTNGO-MRXNPFEDSA-N 282.428 1.872 0 50 CDAA Cc1nc2n(n1)[C@H](C(=O)Nc1cccc(F)c1)CC(=O)N2 14164339 VXYKRZCUDBGWCQ-JTQLQIEISA-N 289.270 1.248 0 50 CDAA CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)C1CC1 14964738 XKMOMMVBUOBXNA-NSHDSACASA-N 260.341 1.446 0 50 CDAA COc1cccc(CCNC(=O)Nc2nc(C)n(C)n2)c1 19218819 KSGKMYWWEVGPHK-UHFFFAOYSA-N 289.339 1.496 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3CCC3)n[nH]c21 1857529614 NJLYEXLEGHPPPA-BDAKNGLRSA-N 263.341 1.962 0 50 CDAA CN(Cc1ccccn1)[C@@H]1CCOC2(CCNCC2)C1 1857670841 FPYOPJNCYLSMTQ-OAHLLOKOSA-N 275.396 1.815 0 50 CDAA Cc1cc(C)c(C(=O)O)c(N2C[C@H]3C[C@H](O)C[C@H]3C2)n1 1857692308 YSYHHCNRBASCNI-GDNZZTSVSA-N 276.336 1.604 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)NCc2ncccc2C)C[C@H]1N 1857711586 IBCJPRCJWKJLSD-OUCADQQQSA-N 277.368 1.149 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1c(Cl)cnn1C 248150665 TYUXRUZTCQFURI-ZJUUUORDSA-N 282.775 1.240 0 50 CDAA COCC1(O)CCN(C(=O)N[C@@H](C)c2ccccn2)CC1 340189405 UTPAWNNPCXWLFG-LBPRGKRZSA-N 293.367 1.326 0 50 CDAA O=C(Nc1ccccc1F)C(=O)NC1CCCC1 2994243 HMDYLTKXIKATQR-UHFFFAOYSA-N 250.273 1.823 0 50 CDAA CC1(C)CC(NC(=O)N2CCC[C@]2(C)CO)CC(C)(C)N1 121952449 VXLZVGIMJLESKC-MRXNPFEDSA-N 297.443 1.852 0 50 CDAA CC(=O)N1CCC(Nc2cccc(-c3ncn(C)n3)c2)CC1 153578456 MGEJQJDJCIWFEE-UHFFFAOYSA-N 299.378 1.905 0 50 CDAA c1cnn(-c2cncc(N3CCC(n4ccnc4)CC3)n2)c1 264957417 WUQPMXXVKSVCBI-UHFFFAOYSA-N 295.350 1.700 0 50 CDAA Cn1cc([C@@H]2OCC[C@H]2NCCc2ccns2)cn1 930764565 UIVCRLIZCUQBPE-OLZOCXBDSA-N 278.381 1.539 0 50 CDAA c1nnc(CN2CCn3c(CC4CC4)nnc3C2)s1 930849612 RJVGCSRNHKLFLF-UHFFFAOYSA-N 276.369 1.098 0 50 CDAA C[C@H]1C[C@H](NC(=O)c2ccn(Cc3ccccc3)n2)C(=O)O1 839777098 MQGQPBIFWDCROA-FZMZJTMJSA-N 299.330 1.365 0 50 CDAA O=C(C=C1CCC1)NC[C@H](C(=O)O)C1CCOCC1 864145560 OKZBGZJPIJZBQU-LBPRGKRZSA-N 267.325 1.340 0 50 CDAA NS(=O)(=O)N1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 866135039 DCQDWTURFRIZLK-GFCCVEGCSA-N 297.380 1.006 0 50 CDAA COC[C@@](C)(CC(=O)O)NC(=O)c1cc(C)ccc1F 237196777 JRBLCGWKARYWLT-CQSZACIVSA-N 283.299 1.744 0 50 CDAA C[C@@H]1CCCC[C@H]1CC(=O)NCCn1ccc(O)nc1=O 952994508 PYTOMRZPUADRBM-NEPJUHHUSA-N 293.367 1.282 0 50 CDAA COC(C)(C)c1noc(CN2C[C@H]3CC[C@H]3C2)n1 1875281477 CWLXJWULDZOKPD-AOOOYVTPSA-N 251.330 1.793 0 50 CDAA CN1CC[C@@H](CN(C)Cc2c[nH]nc2-c2ccnn2C)C1 1875292286 CNYKZNWUAGOTNO-GFCCVEGCSA-N 288.399 1.194 0 50 CDAA C=CC(=O)NCCC1(O)CCN(c2ccccc2)CC1 1875368432 QWRFEFUPEZLNCX-UHFFFAOYSA-N 274.364 1.710 0 50 CDAA O=C(NCC=C1CCNCC1)c1n[nH]cc1-c1ccncc1 1875313772 UIHFXKPKWVUYOX-UHFFFAOYSA-N 297.362 1.511 0 50 CDAA Cc1nc2c(s1)[C@@H](N(C)Cc1nnn(C)n1)CCC2 194445374 ALIVGEVCLKSDRV-JTQLQIEISA-N 278.385 1.484 0 50 CDAA C[C@H]1C[C@@H](O)CN(C(=O)c2ccncc2Cl)C1 335101076 WTDLLLHKXMIVRU-DTWKUNHWSA-N 254.717 1.578 0 50 CDAA COC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1 8856945 JIBAGNYYBIVERV-UHFFFAOYSA-N 284.362 1.867 0 50 CDAA CC(=O)N1CCCCN2CCCC[C@H]2CC(=O)NCCC1 2100533343 LAQPNRGLZHOFMU-HNNXBMFYSA-N 295.427 1.380 0 50 CDAA COc1ccc(-c2cnc(S(C)(=O)=O)nc2)cc1 353516 DVABPSIFHUMCIK-UHFFFAOYSA-N 264.306 1.556 0 50 CDAA COc1cc(CN(C)C2CCN(C)CC2)cc(OC)c1O 207008 BNHCWWOOMVLOPK-UHFFFAOYSA-N 294.395 1.935 0 50 CDAA COc1ccc(OC)c(S(=O)(=O)n2ccc(C)n2)c1 802726 PQIKGKCABNVHHS-UHFFFAOYSA-N 282.321 1.446 0 50 CDAA COc1ccc(NC(=O)c2cnccn2)cc1OC 1055094 OWZDBADUGCVRBO-UHFFFAOYSA-N 259.265 1.746 0 50 CDAA O=C(CC12CC3CC(CC(C3)C1)C2)Nn1cnnc1 4195925 BAQKYWBIXFKGSM-UHFFFAOYSA-N 260.341 1.955 0 50 CDAA COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 6697994 SPRGBXNKRUHQAC-QWHCGFSZSA-N 290.363 1.499 0 50 CDAA Cc1nsc(NC(=O)N2CCCC[C@@H]2CCO)n1 55270079 ZLQAVVGPLPKQDW-SECBINFHSA-N 270.358 1.615 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)C1CC1 224705675 NJHWOZQDGGYJMA-UPJWGTAASA-N 259.305 1.975 0 50 CDAA Cc1nn(C)c2nc(N3C[C@H]4[C@H](CN(C)C)[C@H]4C3)sc12 101771625 PNESLEWACXXAPR-RTCCRHLQSA-N 291.424 1.582 0 50 CDAA Cc1cnn(CC(=O)N[C@H](C)c2c(C)nn(C)c2C)c1 67302935 VKUIBFITLPEDFJ-SNVBAGLBSA-N 275.356 1.419 0 50 CDAA C[C@H](N[C@@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCCO1 248580730 IJUHIDWPZOLMOQ-ZWKOPEQDSA-N 266.316 1.509 0 50 CDAA Cc1cc([C@H]2CC(=O)NCc3nc4c(C)cccn4c32)n[nH]1 67513576 BKZAUAJVRYJQMS-LLVKDONJSA-N 295.346 1.826 0 50 CDAA CCN(C)c1ccnc(N(C)CCN2CCCC2)n1 65374020 LXDUOXPMELUYBL-UHFFFAOYSA-N 263.389 1.465 0 50 CDAA CCc1ccc(CN2CCn3nc(C(=O)O)cc3C2)nc1 65424204 HPKCFIUDQDFUAV-UHFFFAOYSA-N 286.335 1.555 0 50 CDAA CCn1cc(CCN2CC[C@@H](C)[C@@H](OC)C2)cn1 348191593 VXXTXPUCMDWYCN-OCCSQVGLSA-N 251.374 1.802 0 50 CDAA COc1ccc2c(c1)nc(CNC(=O)C1CC1)n2C 184161003 ZFHNTIRNMREBDJ-UHFFFAOYSA-N 259.309 1.608 0 50 CDAA CN(CCc1cn[nH]c1)C(=O)CN1CCCCCC1 67654730 VHBPAILXPRJEFW-UHFFFAOYSA-N 264.373 1.287 0 50 CDAA COc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[nH]2)on1 139543313 ORHOWYZBVRKTNZ-UHFFFAOYSA-N 289.251 1.622 0 50 CDAA O=C(CCc1nc[nH]n1)N1CCOC[C@H]1c1ccccc1 363354681 AQNYGIVEMUALII-ZDUSSCGKSA-N 286.335 1.337 0 50 CDAA Cn1[nH]cc2/c(=N/C(=O)[C@@H]3COc4ccccc43)ccnc1-2 253393274 XXAGZDKBFWSGAA-MCMJHOFTSA-N 294.314 1.457 0 50 CDAA Cc1nsc(NC(=O)N[C@@H](C)Cn2cccn2)n1 63857099 JZSKIDZDODBJAP-ZETCQYMHSA-N 266.330 1.253 0 50 CDAA CC(=O)N1CCC(N[C@H](C)CCCC(C)(C)O)CC1 32507890 QTAQABKQKLQNPF-GFCCVEGCSA-N 270.417 1.917 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCOC[C@@H]2CC(F)F)cc1 1602320393 RZPDYOZVKHDTPI-NSHDSACASA-N 299.273 1.881 0 50 CDAA C[C@H](O)CN1CCN(CCO[C@@H]2CCCC[C@H]2C)C[C@H]1C 252474547 HJKMFYUHPTUJKZ-WCXIOVBPSA-N 298.471 1.969 0 50 CDAA CN(C/C=C/CN(C)c1ccn(C)n1)c1ccn(C)n1 253416964 XWSOPRJIEUGCLZ-AATRIKPKSA-N 274.372 1.282 0 50 CDAA CN1CCN(C(=O)c2cc(=O)[nH]o2)C[C@@H]1c1ccccc1 215089284 SASJWUUWDPUIED-GFCCVEGCSA-N 287.319 1.097 0 50 CDAA Cc1nc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cn1C 329014113 PPEMBCPDXCDYQY-UHFFFAOYSA-N 295.368 1.062 0 50 CDAA CN(Cc1cc(-c2ccccc2)[nH]n1)C[C@]1(O)CCNC1 77287789 IRNXIMXMHGBMGD-INIZCTEOSA-N 286.379 1.233 0 50 CDAA O=C1C[C@]2(CCN(c3ncnc4c3CCCCC4)C2)CN1 432926240 WOIXGACPKIJQCA-MRXNPFEDSA-N 286.379 1.462 0 50 CDAA CC(C)N(Cc1cccnc1)C(=O)c1cncn1C 362572769 LWMPZLJWORVMNX-UHFFFAOYSA-N 258.325 1.866 0 50 CDAA COCc1cnc(NC(=O)[C@H]2CN(C(C)C)CCO2)s1 367625642 AWRLTQHCKNEJEO-LLVKDONJSA-N 299.396 1.337 0 50 CDAA O=C(CCOc1ccccc1)NCc1cnc2cnccn12 215328176 CPVFMZIOWNXWRW-UHFFFAOYSA-N 296.330 1.815 0 50 CDAA CC(C)(C)c1n[nH]cc1CN1CC[C@@H](CC(N)=O)C1 368133361 IVBJMBBFXRZSAL-JTQLQIEISA-N 264.373 1.405 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)c1c(F)cccc1OC 219994632 MQEWLLQUOBUETC-SECBINFHSA-N 292.314 1.937 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)Cc1ccc2c(c1)OCO2 215007972 BSAUMYLMGPSCJT-UHFFFAOYSA-N 287.319 1.614 0 50 CDAA CO[C@H]1CCCN(Cc2cnc(-c3cnn(C)c3)nc2)C1 368438874 OTUGHJBYRUYVKF-AWEZNQCLSA-N 287.367 1.488 0 50 CDAA 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CDAA O=C(COc1cccc(F)c1)N1C[C@@H]2CCC[C@H](C1)C2O 172357983 KVJXXINVMKIDJO-HBBFGDNQSA-N 293.338 1.824 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H](O)c1ccccc1 120758806 OCYNPYAKJYPATC-QLFBSQMISA-N 277.364 1.897 0 50 CDAA O=C(O)c1cccc2c1C(=O)[C@@H](C[C@H]1CCCO1)N2 1304629 KCDRRTUGZOGETE-LDYMZIIASA-N 261.277 1.931 0 50 CDAA Cn1cnc2cc(C(=O)N3CC(c4ccncc4)C3)cnc21 72163458 MUHDXSLTTMGBQH-UHFFFAOYSA-N 293.330 1.603 0 50 CDAA CNc1sc(C(C)=O)c2nc(C)n(C)c(=O)c12 71772340 QOOSFWMFZUSTMY-UHFFFAOYSA-N 251.311 1.548 0 50 CDAA Cc1c[nH]c([C@@H](C)NC(=O)c2ccc(CO)cc2)n1 218852693 DITJPZQLKFKMRS-SNVBAGLBSA-N 259.309 1.701 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1C[C@H](C)N[C@H](C)C1 153821825 PCHVVQCTHYHRHQ-AEJSXWLSSA-N 265.357 1.604 0 50 CDAA CCc1nc(CCNC(=O)[C@H]2C[C@@H]2C(=O)O)sc1C 362497325 IRZPHAFGBJCKBT-IUCAKERBSA-N 282.365 1.393 0 50 CDAA CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccccc2)C1=O 126962191 PCEFSPKXNHLDEV-INIZCTEOSA-N 298.346 1.777 0 50 CDAA Cc1ncc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)s1 77489896 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1449588270 CPEHAKHPIYUZOE-NSHDSACASA-N 263.341 1.408 0 50 CDAA Cc1cnc(C(=O)N[C@@H]2CCNC23CCC3)cc1C 1344128762 VRPRUZCKVDIYDU-CYBMUJFWSA-N 259.353 1.713 0 50 CDAA Cc1cc(-c2ncnn2CC(F)(F)F)nc(N)n1 952873716 NQRNKCONNIUOLN-UHFFFAOYSA-N 258.207 1.188 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)c2nccs2)C1 958528783 VFJHBQNLDUSWDG-TVQRCGJNSA-N 299.396 1.515 0 50 CDAA OCc1cc(I)nc2c1OCCC2 77011127 ZFAPERIRUSRQTI-UHFFFAOYSA-N 291.088 1.504 0 50 CDAA in-vitro NCCc1ccc(CNC(=O)C23CCCN2CCC3)cc1 1580314317 KQQGOXWBDMSKHO-UHFFFAOYSA-N 287.407 1.432 0 50 CDAA CC(C)Cc1nc(=NCc2cnc3nccn3c2)s[nH]1 408518513 LHSGNQKWAQZOLJ-UHFFFAOYSA-N 288.380 1.813 0 50 CDAA O=S1(=O)CC[C@@H](Nc2ncc(Cl)cc2F)C1 86710159 OYQUPPOVCYHVFJ-SSDOTTSWSA-N 264.709 1.473 0 50 CDAA COc1cc(C)nc(N2CCO[C@@H](c3ccco3)C2)n1 674708652 BIMTUZZOVYWTON-GFCCVEGCSA-N 275.308 1.965 0 50 CDAA CC(C)=C(F)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 583620463 ZJGXBQVKFKZNRX-QJPTWQEYSA-N 271.332 1.638 0 50 CDAA Cn1nccc1CCC(=O)N1CCC[C@@H](CCC(=O)O)C1 191212496 ULGWVZARUQEYPT-LBPRGKRZSA-N 293.367 1.456 0 50 CDAA COC(=O)c1cc(=NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1C 585128662 JRCQUCGQFUFJPI-DCAQKATOSA-N 291.351 1.393 0 50 CDAA CCS[C@H]1CCCCN(C(=O)[C@@H]2CCCNC2=O)C1 585132401 VSSFRCBCUVULEB-NWDGAFQWSA-N 284.425 1.647 0 50 CDAA O=C(CCc1ccc(F)c(F)c1)N[C@H]1COCC[C@@H]1O 710984587 PIUYNRVUKPBRLQ-STQMWFEESA-N 285.290 1.163 0 50 CDAA CC(=O)Nc1cc(Cl)ccc1NC(=O)[C@H](C)C(=O)O 566299987 IIMIDBBCTAQEST-LURJTMIESA-N 284.699 1.958 0 50 CDAA C[C@H](NC(=O)[C@]1(C(=O)O)CC=CCC1)c1ncon1 653309397 BQGFHUXQIAESBQ-UFBFGSQYSA-N 265.269 1.058 0 50 CDAA NC[C@@H]1CCCc2ccc(C(=O)NCc3cnn[nH]3)cc21 662487945 OXTHRJXKWRVJMV-LBPRGKRZSA-N 285.351 1.113 0 50 CDAA O=C(CCOCC(F)F)N1CC(Nc2ccccc2)C1 1615001063 KSSYTZYMVBEKBE-UHFFFAOYSA-N 284.306 1.981 0 50 CDAA CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cnn2ccc(N)cc12 1615546160 KHGZNYTYPHGNEU-BJOHPYRUSA-N 286.335 1.214 0 50 CDAA O=C1NCCCC[C@@H]1NCc1cccn1C(F)F 1616032503 ULTBUTBESWVBNW-JTQLQIEISA-N 257.284 1.642 0 50 CDAA COc1ccccc1CCNC1CCN(C(C)=O)CC1 217698 FBBNDFXGPFFITM-UHFFFAOYSA-N 276.380 1.838 0 50 CDAA CCCN(C)CC(=O)Nc1nc(C(=O)O)c(C)s1 910786096 KRGQXUVQGCAWSG-UHFFFAOYSA-N 271.342 1.430 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2ccnc(C)n2)C[C@@H]1O 1704315377 BHIIBUBSRMVHHG-FZMZJTMJSA-N 279.340 1.227 0 50 CDAA C=CC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1120461384 ZZTIMLWCWGLZPP-SNVBAGLBSA-N 254.330 1.688 0 50 CDAA COc1cc(F)ccc1CN(CCO)Cc1ncc[nH]1 1704314271 XHOLQMFFDCWQCL-UHFFFAOYSA-N 279.315 1.552 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCCc2ccc(C)cc2)CC[C@@H]1O 1704316028 IXLGDULTIASFBB-OWCLPIDISA-N 291.391 1.830 0 50 CDAA OC[C@H]1CCN(Cc2ccc(F)cc2F)C[C@@H]1O 336522442 MXXTYTJZJLKUEV-MFKMUULPSA-N 257.280 1.140 0 50 CDAA CN1CCN(Cc2cccc3cccnc23)CC1=O 119495618 OGNWQOKVOKIJIF-UHFFFAOYSA-N 255.321 1.509 0 50 CDAA Nc1nc(SCC(=O)Nc2ccc(F)cc2)n[nH]1 3222046 WYAIRKLUYQYLNQ-UHFFFAOYSA-N 267.289 1.257 0 50 CDAA CC(C)(C)c1ccc(C(=O)NC2(C(N)=O)CC2)s1 119587292 SFIKQSKWNGQLCW-UHFFFAOYSA-N 266.366 1.793 0 50 CDAA CNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 4839984 JXWHSUCQEQDABF-UHFFFAOYSA-N 283.353 1.222 0 50 CDAA Ic1ccc(N2CCOCC2)nc1 19015131 RBMHFKCAFPUVRT-UHFFFAOYSA-N 290.104 1.523 0 50 CDAA in-vitro CCc1ccccc1OCc1nnc2n1CCOC2 567564854 MNHOISIGPNKIBJ-UHFFFAOYSA-N 259.309 1.950 0 50 CDAA CNC(=O)[C@@H]1CCCN1C[C@@H](O)c1cccc(Cl)c1 229836517 QKMTVVLZMDOUEE-QWHCGFSZSA-N 282.771 1.584 0 50 CDAA Cc1ccsc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 262478993 VKSOKXZQOVXLCO-VIFPVBQESA-N 289.378 1.542 0 50 CDAA CO[C@H]1CCCN(CCOc2cccc(C(=O)O)c2)C1 230268028 RXAXVMXEZUFEDM-AWEZNQCLSA-N 279.336 1.874 0 50 CDAA COc1ccccc1OCCN(C)CC[C@H]1COCCO1 1775979468 IOARUOFEZZQBJF-AWEZNQCLSA-N 295.379 1.811 0 50 CDAA CN1CCC[C@H]1CC(=O)NCc1[nH]nc2ncccc12 1772814425 YLOMIERGQGDEIR-JTQLQIEISA-N 273.340 1.058 0 50 CDAA CC(=O)c1cccc(NC(=S)NN2CCN(C)CC2)c1 5041525 MKJAPIQSNDFAJP-UHFFFAOYSA-N 292.408 1.338 0 50 CDAA Cc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1C 5647406 OEBCIEVXOKKWFD-SNVBAGLBSA-N 277.349 1.798 0 50 CDAA Cn1ccnc1CN[C@H]1CC(=O)N(CC2CCCCC2)C1 12298067 LISNGJXXCBTHBZ-AWEZNQCLSA-N 290.411 1.691 0 50 CDAA CCOCCCNC(=O)C1CCN(C(=O)C(C)(C)C)CC1 12865107 DRCGPBAQROOEJP-UHFFFAOYSA-N 298.427 1.814 0 50 CDAA CCCOc1ccccc1-c1nc(O)c2n[nH]nc2n1 14953365 REZGGXNDEMKIQB-UHFFFAOYSA-N 271.280 1.909 0 50 CDAA world O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 16604477 NNMTUBBMSYLZME-AWEZNQCLSA-N 288.347 1.150 0 50 CDAA COc1ccc(C)cc1-c1noc(C[C@H]2CCC(=O)N2)n1 19761517 TTYITRHVRBKQOB-SNVBAGLBSA-N 287.319 1.875 0 50 CDAA CN1CCC[C@@H](n2ccnc2-c2ccc(C(N)=O)cc2)C1 1857684368 LGSZBRDEQJWPQM-CQSZACIVSA-N 284.363 1.916 0 50 CDAA Cc1ccc2nc[nH]c(=NCCN3CCC[C@@H](C)C3)c2n1 1857698057 UTBFRPPEHAHEQZ-GFCCVEGCSA-N 285.395 1.899 0 50 CDAA Cc1nc(CN2CCO[C@H](c3ccccn3)C2)cn1C 1857704344 OOHIPPKAOCBCJA-HNNXBMFYSA-N 272.352 1.697 0 50 CDAA COC[C@H](NC(=O)N1CCC[C@@H](n2cncn2)C1)C1CC1 119920937 KGZJIEPBICOSBG-OLZOCXBDSA-N 293.371 1.050 0 50 CDAA CCOc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1 2900237 MFMUQRZMDHIIAV-UHFFFAOYSA-N 299.330 1.735 0 50 CDAA CC[C@@H](Nc1cnn(-c2ccccc2F)c1C)C(N)=O 126765132 YZEANEAIANVJSC-LLVKDONJSA-N 276.315 1.996 0 50 CDAA C[C@H](NC(=O)N1CC[C@](C)(F)C1)c1nnc2n1CCCC2 336470235 ACIQUPDKBGKHFG-HZMBPMFUSA-N 295.362 1.819 0 50 CDAA CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 12421542 DRWLQTLBVYLJAO-UHFFFAOYSA-N 284.319 1.244 0 50 CDAA CCc1cccc(N(C)C(=O)CCn2ncn(C)c2=O)c1 564779539 WNYBGJCYVKNJOX-UHFFFAOYSA-N 288.351 1.197 0 50 CDAA CCCOCC(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 253375972 ROZCXKHGDFBIJA-KGLIPLIRSA-N 291.347 1.740 0 50 CDAA Cn1cnc2cc(C(=O)N3CCC[C@H]3c3ncon3)ccc21 577077272 YRZZVWVGTGSOMJ-ZDUSSCGKSA-N 297.318 1.934 0 50 CDAA Cn1nnc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)n1 585141438 VXCGMBHBUUUJOG-OIBJUYFYSA-N 295.705 1.289 0 50 CDAA CSC[C@@H](C)C(=O)NCc1nnc2ccc(Cl)cn12 585131278 QPKZDJIVMGUXBC-MRVPVSSYSA-N 298.799 1.998 0 50 CDAA Cc1cc(C(=O)N2CCC(O)(C(=O)O)CC2)cc(C)c1F 263518547 FWDYGQLARGFSKG-UHFFFAOYSA-N 295.310 1.494 0 50 CDAA CCO[C@H]1C[C@](NC(=O)c2coc(C)c2)(C(=O)O)C1(C)C 263517620 FNWPVJFUNWJQTD-NHYWBVRUSA-N 295.335 1.976 0 50 CDAA Cc1ccccc1C1(C(=O)N2CC3(CNC(=O)O3)C2)CC1 496985417 MELWTLBODWVODD-UHFFFAOYSA-N 286.331 1.347 0 50 CDAA Cc1noc(C)c1CN1C[C@H]2COC[C@@H]1CN(C)C2 1704313297 IFOOKVPLDOVZIN-STQMWFEESA-N 265.357 1.054 0 50 CDAA CC1(C)C[C@@H](NC(=O)N[C@@H](c2ncccn2)C2CC2)CO1 923173358 LYHJIEPGKFUWIG-VXGBXAGGSA-N 290.367 1.794 0 50 CDAA CN(C)c1nc(O)cc([C@H]2CCN(c3cnccn3)C2)n1 864311929 COMWIRQXKFTJAW-JTQLQIEISA-N 286.339 1.032 0 50 CDAA O=C(NCCOC1CCCCCC1)N1CCOCCN1 953092072 SIEJCFNDPGUARL-UHFFFAOYSA-N 285.388 1.272 0 50 CDAA C[C@@H](NCC1(n2ccnn2)CC1)[C@H]1COc2ccccc2C1 1875298815 OJBBDJSWUJTKCL-UKRRQHHQSA-N 298.390 1.997 0 50 CDAA OC[C@@H]1CN(Cc2nncs2)c2ccc(F)cc2O1 1875271482 NMRYSWMBNFJRNO-VIFPVBQESA-N 281.312 1.437 0 50 CDAA CCn1ccc(CN=c2[nH]c(Cl)nc3[nH]ccc23)n1 1875286964 OYMYTIVOHKRIEX-UHFFFAOYSA-N 276.731 1.862 0 50 CDAA CCCC[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)nc2)NC1=O 1875290290 ORFQEKIZAURCOJ-GHMZBOCLSA-N 295.770 1.451 0 50 CDAA COc1cncc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)n1 876840285 OKFYYTMVSNKUIB-QWHCGFSZSA-N 298.346 1.052 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 236855100 VRUFMOAXKGYMEZ-RWMBFGLXSA-N 277.320 1.224 0 50 CDAA O=C(Nc1cnc2[nH]ncc2c1)[C@@]12CCCC[C@@H]1NCC2 1772322371 LYMZFRRRAXPPEC-SWLSCSKDSA-N 285.351 1.819 0 50 CDAA COc1nccnc1CN1CC[C@@H](c2noc(C)n2)C1 896233857 XTCJOWUNWKCJEX-SNVBAGLBSA-N 275.312 1.166 0 50 CDAA Cc1ccoc1C(=O)N1[C@@H]2CC[C@@H](C2)CS1(=O)=O 1775987819 QDBYRFONVVRHBW-VHSXEESVSA-N 269.322 1.542 0 50 CDAA NC1(c2noc([C@@H]3NCC[C@@H]4CCCC[C@@H]43)n2)CC1 900017563 MBMNQRCFGNFDNL-GARJFASQSA-N 262.357 1.858 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 262320003 VNDCTYLDVDLZNF-YUTCNCBUSA-N 276.384 1.981 0 50 CDAA COC[C@@](C)(CCO)NC(=O)c1cc(C)c(C)s1 272486185 NPZIGISURFQMAU-CYBMUJFWSA-N 271.382 1.882 0 50 CDAA CNC[C@H]1CCCN(C(=O)Cc2csc(C)n2)C1 170047986 LVVXZRUEQRYKAD-LLVKDONJSA-N 267.398 1.452 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)CCO1 567408817 DUWYYIWBJXIROT-SJHCENCUSA-N 281.352 1.513 0 50 CDAA O[C@H](CN1CCCC[C@@H]1c1nccs1)Cn1cccn1 195439797 IYJNWOKZTXSGRO-CHWSQXEVSA-N 292.408 1.928 0 50 CDAA Cc1csc([C@H]2CCCCN2Cc2nnn(C)n2)n1 328597837 APJGFKIKJYPGLH-SNVBAGLBSA-N 278.385 1.702 0 50 CDAA COc1ccc(CN2CCC[C@H]3C(=O)NC[C@H]32)c(F)c1 568034020 FGOWCNHUMJCAGD-TZMCWYRMSA-N 278.327 1.545 0 50 CDAA O=C(O)c1cccc(CN2CCO[C@H]([C@@H]3CCOC3)C2)c1 2325777530 JHAPYSNDACMDPQ-CABCVRRESA-N 291.347 1.622 0 50 CDAA Cc1ccsc1-c1cn(C[C@@]2(O)CCNC2)nn1 2325778217 JXMGBPCWJLVGLW-GFCCVEGCSA-N 264.354 1.039 0 50 CDAA NC[C@H]1C[C@@H](NC(=O)c2cn(-c3ccccc3)cn2)C1 2325795085 CLRXJQLWGZESBQ-TXEJJXNPSA-N 270.336 1.339 0 50 CDAA O=S(=O)(NCc1cscn1)c1cnc(C2CC2)o1 2325803475 JIBIDBCUVJINCK-UHFFFAOYSA-N 285.350 1.487 0 50 CDAA C[C@@]1(C(=O)O)COC[C@H]1NC(=O)C[C@@H]1C[C@@H]2C=C[C@H]1CC2 2325810079 HZYMSMBIXVKCEJ-WUGLTUCPSA-N 293.363 1.585 0 50 CDAA C[C@H]1NC(=O)CC[C@H]1CNC(=O)C(=O)C1CCCCC1 2325811346 QNCSUZSVLZGXMU-PWSUYJOCSA-N 280.368 1.167 0 50 CDAA Cc1c(C(=O)N2CCC[C@H]2C(N)=O)cnn1CCC(C)C 127864385 WYIXWFWHNLLDID-ZDUSSCGKSA-N 292.383 1.328 0 50 CDAA Cn1cnc2nc(N3CCC[C@@H](c4cc[nH]n4)C3)ncc21 2356152310 XYOXCRJSKVEAPC-SNVBAGLBSA-N 283.339 1.470 0 50 CDAA Cc1cc(Cl)ccc1OCCOCCN(C)CCO 2974996 WYSSOVVGVDDKRU-UHFFFAOYSA-N 287.787 1.968 0 50 CDAA NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1OCCc2ccccc21 133182016 LODCESWUWYCOQT-UONOGXRCSA-N 288.347 1.167 0 50 CDAA NC1=Nc2nc3ccccc3n2[C@@H](c2ccncc2)N1 8969704 ZJBYTXKKYSOWRW-LBPRGKRZSA-N 264.292 1.528 0 50 CDAA COc1ncccc1C(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 112816195 NXKDEUACJDAYRZ-FSZOTQKASA-N 290.319 1.319 0 50 CDAA COC(=O)c1cc(Br)cc(C(=O)OC)n1 26898864 WYROXHCDUWIUMW-UHFFFAOYSA-N 274.070 1.417 0 50 CDAA C[C@H](c1cccs1)N(C)C(=O)CCCS(N)(=O)=O 67743487 LYXTZHPCSYNTCO-SECBINFHSA-N 290.410 1.336 0 50 CDAA CN1CCN(c2nccc(C3CCCC3)n2)C[C@H]1CCO 106944218 GNDOIOJMZRZDBZ-CQSZACIVSA-N 290.411 1.637 0 50 CDAA Cc1cc(C)n(C[C@@H]2CN(C[C@H]3CCCCO3)CCO2)n1 247397632 YAQJTUAEGNMPDH-CVEARBPZSA-N 293.411 1.770 0 50 CDAA CCCc1nnc(S)n1CC(=O)N[C@@H](C)c1ccoc1 135175459 YHVXXZDRHBGURN-VIFPVBQESA-N 294.380 1.990 0 50 CDAA COC(=O)c1cc([C@@H]2CC(=O)Nc3n[nH]cc32)ccc1O 65406791 FHASZVYKAMYUSH-QMMMGPOBSA-N 287.275 1.376 0 50 CDAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 248767359 XIHUEXSCZNMWKJ-BTFPBAQTSA-N 298.427 1.992 0 50 CDAA CC(C)[C@H](C)NC(=O)CN1[C@@H](C)C[C@H](O)C[C@H]1C 248837023 NZFAHASOIILPDM-RNJOBUHISA-N 256.390 1.381 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)Cc1cccnc1 67847025 GYAZCSCWICIGRD-CYBMUJFWSA-N 258.325 1.416 0 50 CDAA CCN1CCC[C@](C)(CN2CCC[C@@H](CO)C2)C1 20539776 XJCQVGGYQAVAFX-CABCVRRESA-N 254.418 1.813 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2 422757065 JGZAEBVCIQAEDQ-BFZBTATKSA-N 252.358 1.199 0 50 CDAA Cc1nc(O)cc(CCNC(=O)CN2CCCCCC2)n1 65370052 ZFVWBRDFNYVWDD-UHFFFAOYSA-N 292.383 1.025 0 50 CDAA CN1CCC(c2n[nH]c(=O)n2CC2CCCCC2)CC1 65384218 XZQGUQVMEMYNFP-UHFFFAOYSA-N 278.400 1.961 0 50 CDAA COc1cccc(Cn2cnc3snc(C)c3c2=O)n1 352013779 LYJARPSOPFBPCI-UHFFFAOYSA-N 288.332 1.613 0 50 CDAA COc1cccc(CNN(C)C)c1OCCCN(C)C 67603376 OSXRQMLLSONWBX-UHFFFAOYSA-N 281.400 1.592 0 50 CDAA c1n[nH]c2c1CC[C@@H](c1nc([C@H]3CCOC3)no1)C2 120113392 ZHKFRHYAOICTDX-SCZZXKLOSA-N 260.297 1.569 0 50 CDAA CN(C)C(C)(C)CNC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 230101798 MJZJAAIRQXMNAI-YNEHKIRRSA-N 283.416 1.583 0 50 CDAA CCOc1ccc(C(=O)N(C)Cc2noc(C)n2)o1 67740024 YIHCLZDAIGGPPR-UHFFFAOYSA-N 265.269 1.642 0 50 CDAA CCCN1CCN(Cc2cccc(OC)c2)[C@H](CCO)C1 39557782 FIYXUWWHSRIBDO-MRXNPFEDSA-N 292.423 1.974 0 50 CDAA O=c1c2ccncc2ncn1C[C@H](O)CC1CCCC1 252488983 JDGICICTRKUESJ-GFCCVEGCSA-N 273.336 1.733 0 50 CDAA C[C@H](CN1CCCCC1)NC(=O)N1CCN2CCC[C@H]2C1 252441997 FYVYZQWKSDCYGT-CABCVRRESA-N 294.443 1.350 0 50 CDAA CC[C@H](C)n1c(=O)[nH]c(C)c(Br)c1=O 178092 CTSLUCNDVMMDHG-YFKPBYRVSA-N 261.119 1.579 0 50 CDAA biogenic,in-vitro COCCN1C[C@@H](O)C[C@H]1c1cccc(OC)c1 282027524 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O=C1C[C@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@H]2N1 1857713794 OALPGUAITDSQAO-SMDDNHRTSA-N 283.331 1.057 0 50 CDAA c1cc(-c2nccn2C[C@@H]2CNCCO2)n2nccc2c1 1857731307 PESHHRNHQPOAPZ-ZDUSSCGKSA-N 283.335 1.186 0 50 CDAA CCC[C@]1(CO)CCN(c2nc(C)nc(C)c2C)C[C@@H]1O 1875250160 BXIDZIALBIJHIV-GOEBONIOSA-N 293.411 1.752 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3cccn3C)n2CC1 601043877 JQHCRMMBHLDOFY-JTQLQIEISA-N 274.324 1.409 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](C(=O)O)C1CCOCC1 2599272 MAJWUTNRLZHCBX-SECBINFHSA-N 259.302 1.391 0 50 CDAA in-vitro C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1nc[nH]n1 631318207 MDLXFYWLKGDPSH-AAEUAGOBSA-N 270.336 1.752 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc2occc2c1 643764161 QBEOXTBCVGGQOO-MRXNPFEDSA-N 288.347 1.899 0 50 CDAA N[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 132368817 TYTNKLLLPXSWPL-AWEZNQCLSA-N 292.354 1.434 0 50 CDAA CCOCCN1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 248289439 JJINLJJHHABPRB-KGLIPLIRSA-N 281.327 1.962 0 50 CDAA COc1cccc(OC)c1-c1nc(N)nc2nc[nH]c12 234905029 KVDHOOWLSZIDSE-UHFFFAOYSA-N 271.280 1.619 0 50 CDAA Cn1cc(-c2nsc(NC(=O)[C@H]3CCCS3)n2)cn1 900797254 GZQFEGQLCOVRFA-MRVPVSSYSA-N 295.393 1.773 0 50 CDAA COC[C@H](NC(=O)c1ccc(C)c2c1CCC2)C(=O)O 909661061 DQARBOYWMZANRV-ZDUSSCGKSA-N 277.320 1.313 0 50 CDAA CC(C)[C@H](CO)ONC(=O)C12CCC(C(=O)O)(CC1)CC2 911810654 CHZZEPZCRLYXRU-QGLTVNCISA-N 299.367 1.476 0 50 CDAA Fc1cccnc1NCc1cc(O[C@@H]2CCNC2)ccn1 818626737 HWMQCUGZFQNXBX-CYBMUJFWSA-N 288.326 1.969 0 50 CDAA C[C@](O)(C(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2)c1ccc(F)cc1 936053594 OPJRSHUCAFJXAW-LOHUMSBYSA-N 293.338 1.405 0 50 CDAA CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)O)CC2)CC1 950756046 DZIFKQXTEVCPEC-UHFFFAOYSA-N 285.340 1.613 0 50 CDAA Cc1nn(C(C)C)cc1NC(=O)c1cc(O)nn1C 1875299463 LRRRIDULACBTDT-UHFFFAOYSA-N 263.301 1.464 0 50 CDAA CCC[C@@H](N)CNC(=O)c1ccnc2ccncc12 1875266256 GLFJCKMCNCDNKN-SNVBAGLBSA-N 258.325 1.487 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2n[nH]c(C3CC3)n2)CC1 1875265527 LHJPORYHQZMCPX-UHFFFAOYSA-N 293.371 1.739 0 50 CDAA CC[C@@H](C)C(=O)NS(=O)(=O)c1ccc(C)nc1Cl 1875382532 FNFUKMXDWVWFMG-SSDOTTSWSA-N 290.772 1.894 0 50 CDAA C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H]1COC2(CC2)C1 1875300430 CEBCOQFIIQYERE-NXEZZACHSA-N 294.376 1.304 0 50 CDAA Cn1cc(NCc2cnnn2C2CC2)c(OC2CCC2)n1 1875404236 ASRRJKDOXDAQHT-UHFFFAOYSA-N 288.355 1.890 0 50 CDAA COc1cc(C)ccc1CN[C@H]1CS(=O)(=O)C1(C)C 877871150 LFSLGGCSPMMWPA-ZDUSSCGKSA-N 283.393 1.669 0 50 CDAA O=C(O)CC[C@]1(NC(=O)Cc2ccc(O)cc2)CCOC1 1775998260 UFUMEEGFQNKIMI-HNNXBMFYSA-N 293.319 1.075 0 50 CDAA Cc1ccc(OC[C@H](O)CN[C@@H]2CCO[C@H]2C)c(C)c1 32523771 YEGOIUNTNBMTEZ-RRFJBIMHSA-N 279.380 1.810 0 50 CDAA COc1ccccc1[C@H]1CCN(Cc2cnn(C)n2)C1 289540993 CLTOIBQQZHZZLY-LBPRGKRZSA-N 272.352 1.813 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)Cc1ccnn1C 348360365 DNALYGYPFPFFDZ-UHFFFAOYSA-N 255.325 1.928 0 50 CDAA Nc1ccnc(N2CCC[C@H](CN3CCCCC3)C2)n1 96163592 FWSQLYGTTBMKCU-CYBMUJFWSA-N 275.400 1.761 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2nc3ccccc3n2C)C1 311816200 MLLYXCJDFSHCNO-QWRGUYRKSA-N 261.325 1.159 0 50 CDAA COc1ccc(CNCc2nc(O)n[nH]2)c(Cl)c1OC 392463207 MLYHEMTZXIOQRH-UHFFFAOYSA-N 298.730 1.471 0 50 CDAA Cc1cc(C(=O)N(C)Cc2ncc(C)[nH]2)nc(C)n1 825261491 UTCBGDPJNSEOTM-UHFFFAOYSA-N 259.313 1.397 0 50 CDAA COc1cc2c(cc1-c1nccc(N(C)C)n1)OCO2 2100542803 FZUCNAWHVOOOFI-UHFFFAOYSA-N 273.292 1.947 0 50 CDAA O=C(NO[C@H]1CCCCO1)c1ccnn1CC1CC1 2325776147 UQLHORQPISAQJB-LBPRGKRZSA-N 265.313 1.481 0 50 CDAA CC(=O)Nc1cccc(CCOC(=O)Cc2cc[nH]n2)c1 2325780132 JKNNQJMSXSGDFS-UHFFFAOYSA-N 287.319 1.697 0 50 CDAA Cc1ncn(-c2ccc(NC(=O)C3(N)CC3)cc2)c1C 2325795786 YRJCGLAHHXSFTN-UHFFFAOYSA-N 270.336 1.919 0 50 CDAA C[C@@H]1CCn2ncc(C(=O)N[C@H]3C[C@H](CN)C3(C)C)c2C1 2325799788 XRFJXZQKSQODIN-GYSYKLTISA-N 290.411 1.569 0 50 CDAA COCC1(C(=O)N2CCC(n3cncc3C)CC2)COC1 2325811909 HHCUWUGELZYWHU-UHFFFAOYSA-N 293.367 1.018 0 50 CDAA O=c1c[n+]([O-])c2ccccc2n1OCc1ccccc1 102134 PMEATRHYSZISDG-UHFFFAOYSA-N 268.272 1.264 0 50 CDAA CCc1c(C)sc(NC(=O)CCCC(=O)O)c1C(N)=O 215106 VCNWQHCSJNKBAO-UHFFFAOYSA-N 298.364 1.911 0 50 CDAA Cc1ncc(N2C(=O)S[C@@](C)(CCO)[C@@H]2C)c(N)n1 398316 QPVCWGDRQVRPDH-MADCSZMMSA-N 282.369 1.570 0 50 CDAA CCN(CC)CCNC(=O)COc1ccccc1O 2466331 NCSBBWXZYWTPRZ-UHFFFAOYSA-N 266.341 1.229 0 50 CDAA COC[C@@]12COC[C@@H]1CN(c1nc(C)c3c(n1)CCC3)C2 2356147837 SHXFLGLTONALQE-LRDDRELGSA-N 289.379 1.373 0 50 CDAA N=C(N)C1CCN(C(=O)OCc2ccccc2)CC1 2547902 ZTXCTYJVTHUYGK-UHFFFAOYSA-N 261.325 1.971 0 50 CDAA N=c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)c[nH]1 2356158221 FQUMMDCPVPWJQM-LSDHHAIUSA-N 297.358 1.485 0 50 CDAA CCn1nc(C)cc1C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 225470344 NXXFGMLZQHPCAQ-RYUDHWBXSA-N 290.367 1.095 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2ccc3ccc(F)cc3n2)C1 343341119 LFHATLLPKOIBNB-STQMWFEESA-N 276.311 1.960 0 50 CDAA O=C1[C@@H]2[C@H](C(=O)N1c1nccs1)[C@H]1C=C[C@H]2C12CC2 100734728 HBEUBZNIGMQIGT-KYXWUPHJSA-N 272.329 1.845 0 50 CDAA Cc1n[nH]c(SCC(=O)NCCCCN2CCCC2)n1 55382909 QHLOAGFFLLIDRM-UHFFFAOYSA-N 297.428 1.197 0 50 CDAA COc1cccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)c1 246503275 HPLSDEDZCURTPE-MGPQQGTHSA-N 276.336 1.814 0 50 CDAA Cc1ccn(CCNC(=O)c2onc3ccccc23)n1 20778032 IEVJWKLSIAGSAJ-UHFFFAOYSA-N 270.292 1.763 0 50 CDAA O[C@H]1CCN(c2ccnc(NCc3ccncc3)n2)C1 65384230 MXCKEGJHQWVYQD-LBPRGKRZSA-N 271.324 1.055 0 50 CDAA CC(C)Cc1cc(C(=O)NCC[C@H]2CN(C)CCO2)[nH]n1 67774261 MWLVXCBYJYZMTN-ZDUSSCGKSA-N 294.399 1.059 0 50 CDAA C[C@H](CN1Cc2ncccc2C1=O)Oc1cccnc1 65469330 GEMSPDGFUXWZRM-LLVKDONJSA-N 269.304 1.900 0 50 CDAA CN1CCN(C(=S)C(=O)Nc2ccc(F)cc2)CC1 20482149 KJGKJULIHQUWQG-UHFFFAOYSA-N 281.356 1.339 0 50 CDAA Cc1ccc2nc([C@@H](NC(CO)CO)C(C)C)[nH]c2c1 67604480 ZRPXRRIIHNQBIM-AWEZNQCLSA-N 277.368 1.511 0 50 CDAA CCN1CCC[C@H](NCc2ccccc2-n2cncn2)C1 65393921 YLRUECLBCKQFFL-HNNXBMFYSA-N 285.395 1.841 0 50 CDAA O=C(Nc1ccncc1F)N[C@@H]1CCCOCC1 184197230 HHWSDLMAXDLXNB-SECBINFHSA-N 253.277 1.911 0 50 CDAA Cc1ccn2cc(Cn3cnc4cnccc4c3=O)nc2c1 32558323 VLRFOAHVIKAHHB-UHFFFAOYSA-N 291.314 1.796 0 50 CDAA O=C(Cc1ccccc1F)N=c1ccn([C@H]2CCNC2)[nH]1 328615611 AYRINISLACPCPB-LBPRGKRZSA-N 288.326 1.160 0 50 CDAA O=C(O)c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c[nH]1 123675541 IORFBCCKIUXOBS-IUCAKERBSA-N 284.337 1.134 0 50 CDAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(C2CC2)n1 329813699 TWKXZUXCAMVOSW-YGRLFVJLSA-N 286.379 1.567 0 50 CDAA Cc1nc(-c2cccc(NC(=O)C3(N)CCCC3)c2)n[nH]1 37769111 RGAQUYIJSDJPLF-UHFFFAOYSA-N 285.351 1.990 0 50 CDAA Cc1nnc(SCC(=O)NCc2cccnc2)o1 74714015 VBHCNPYUYLXGTM-UHFFFAOYSA-N 264.310 1.182 0 50 CDAA Cn1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1=O 78907053 RSDDBJCKRYNZOH-UHFFFAOYSA-N 294.314 1.823 0 50 CDAA Cc1cccnc1C1(CN[C@@H]2CCCS(=O)(=O)C2)CC1 368288128 LJEMMIQVYYKQDA-CYBMUJFWSA-N 294.420 1.588 0 50 CDAA COc1cc(F)c(C(=O)N2C[C@H](O)C3(CC3)C2)cc1OC 368727439 JJWMUFWVJHFEIO-ZDUSSCGKSA-N 295.310 1.440 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)c3cnn(C(C)C)c3)C2)n1 77377128 HMCFRXCTSACIMU-UHFFFAOYSA-N 287.367 1.974 0 50 CDAA COc1cc(C)sc1C(=O)N1CCN[C@@H](C)C1 237117730 LIZBZUJRPFEDNY-QMMMGPOBSA-N 254.355 1.499 0 50 CDAA COc1cc2c(cc1CNC(=O)C[C@@H]1CCNC1)CCC2 216485483 ATYWOCKLVXZYIN-LBPRGKRZSA-N 288.391 1.800 0 50 CDAA C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)C(=O)O 122661884 ZDEKJDWAQYANPV-ZETCQYMHSA-N 268.338 1.813 0 50 CDAA Cc1cc2c(cc1C)O[C@H](C(=O)N1CCN[C@@H](C)C1)C2 237763685 OLKCDDOWNZCUJD-WFASDCNBSA-N 274.364 1.427 0 50 CDAA NC[C@H]1CCCCN1C(=O)c1ccc(Cn2ccnc2)cc1 237959977 KXVNIWXPVPINAW-MRXNPFEDSA-N 298.390 1.885 0 50 CDAA OCC1(CN2CC[C@H](n3ncc4ccccc43)C2)COC1 374740109 UAQIOZUBMSQFNV-AWEZNQCLSA-N 287.363 1.292 0 50 CDAA CCCc1ccc(CN2CC[C@@H](NC(C)=O)C2)o1 215751484 QWTINSPHBIFZAL-GFCCVEGCSA-N 250.342 1.943 0 50 CDAA Cc1cc(C(=O)O)nc(N2CCN(c3ccccn3)CC2)n1 72240810 GRAXHTDRISDWEL-UHFFFAOYSA-N 299.334 1.205 0 50 CDAA COc1cccc2c1OC[C@@H](C(=O)N1CCCOCC1)C2 76140418 BQAZKOSEHPHNDI-ZDUSSCGKSA-N 291.347 1.495 0 50 CDAA O=C(N=c1cc[nH]cc1)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O 454292369 LKXAMRRMJQWSAY-BFHYXJOUSA-N 275.352 1.661 0 50 CDAA C[C@@H]1CN(c2ncccc2F)C[C@H]1C(=O)N1CCOCC1 284768544 ZBWPEBRABSFKFJ-VXGBXAGGSA-N 293.342 1.152 0 50 CDAA COc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)O)c(O)c1 132720944 ZMWZFHNJJLLICN-SFYZADRCSA-N 267.281 1.240 0 50 CDAA CCN(CC)[C@H](CNc1ncncn1)c1ccco1 223195873 QJUOWBTXSSZHFK-LLVKDONJSA-N 261.329 1.960 0 50 CDAA CC(C)c1nncn1CCNC(=O)[C@@H]1C[C@H]1C1CC1 176110801 CYCBWMJOPHCBBR-NWDGAFQWSA-N 262.357 1.564 0 50 CDAA Cc1nc(CC(=O)N[C@H](C)c2nc[nH]n2)c(C)s1 178639303 VORZMWAHWNZFRZ-ZCFIWIBFSA-N 265.342 1.298 0 50 CDAA COCCN1C[C@H](Cc2ccc(OC)c(F)c2)CC1=O 222694026 YHFSYLXEWFGWTR-GFCCVEGCSA-N 281.327 1.872 0 50 CDAA COCc1cc(CN(C)[C@@H]2CCN(C)C2)ccc1OC 223791491 YTLVWSPVMXRUPJ-OAHLLOKOSA-N 278.396 1.978 0 50 CDAA COc1ccc(CCNCc2cnc(N)nc2)cc1OC 46085502 HICNAYHVKUOHPF-UHFFFAOYSA-N 288.351 1.408 0 50 CDAA Cc1n[nH]c([C@H]2CCCN2Cc2cccc3nonc23)n1 97814985 XXMBJRULMXCCFF-GFCCVEGCSA-N 284.323 1.986 0 50 CDAA CCOCCC(=O)N1CCCN(c2ccnc(C)c2)CC1 91468314 YPCUTEVECHDEOW-UHFFFAOYSA-N 291.395 1.855 0 50 CDAA O=C(Nc1ccc2c(c1)OCO2)N1C[C@@H]2CC[C@H]1CNC2 97636641 XYEYRWDQBXFHLZ-PWSUYJOCSA-N 289.335 1.631 0 50 CDAA 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O=C1C[C@H](C(=O)NCCc2ccncc2)C2(CCCC2)O1 827693844 WEXGTNZUAGSRQC-CYBMUJFWSA-N 288.347 1.616 0 50 CDAA C[C@@H](NC(=O)C1(N)CC1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 820723345 CSSIUNNAJJMNHD-GRBUOMEOSA-N 278.396 1.314 0 50 CDAA Cc1cc(Cl)cc2c1NC(=O)CN(CCN(C)C)C2=O 584898043 UCDKYKUKAWOSMA-UHFFFAOYSA-N 295.770 1.604 0 50 CDAA O=S1(=O)C[C@H](O)c2cc(C(F)(F)F)ccc21 585656357 ZDKNTCGWIWXAPH-ZETCQYMHSA-N 252.213 1.526 0 50 CDAA NCCc1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 584885848 RWTDAKCNWBLAIL-CQSZACIVSA-N 284.363 1.198 0 50 CDAA Cc1c([C@H](C)NC(=O)c2cc(C(F)F)[nH]n2)cnn1C 584892129 LTRQRIKQRFCABU-LURJTMIESA-N 283.282 1.880 0 50 CDAA CC[C@@H](C)Cc1nc(CNC(C)=O)n(-c2cccnc2)n1 670472309 RVNKFJMAJUWHFY-LLVKDONJSA-N 287.367 1.887 0 50 CDAA CS(=O)(=O)c1ncnn1C[C@@H]1CCCC12CCOCC2 1434456449 VYSFMNYYKHHBQA-NSHDSACASA-N 299.396 1.279 0 50 CDAA O=C(O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)no1 629766100 LZCARZCEXLSGEL-JTQLQIEISA-N 277.255 1.929 0 50 CDAA COc1ccc(CNCCN2CCCC[C@H]2CO)cc1F 952991521 TZCAWAYISSBOIY-AWEZNQCLSA-N 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RDHMSAKSBQQJBQ-UONOGXRCSA-N 276.380 1.960 0 50 CDAA Cc1nc(S)sc1CC(=O)N1CC[C@@]2(CCOC2)C1 154578442 ZVTLZVAKBHLQLJ-CYBMUJFWSA-N 298.433 1.922 0 50 CDAA Cc1ccc(OCCC(=O)N2CC[C@H](CN)C2)c(C)c1 178558487 CYOPXXLLBQXUGE-CQSZACIVSA-N 276.380 1.880 0 50 CDAA COc1cccc(CN(C)Cc2cnn(C)c2C)n1 408514328 XQUWLWYADRGHQK-UHFFFAOYSA-N 260.341 1.764 0 50 CDAA Cn1ncc(Cl)c1CN1CC2(CCOCC2)C1 335156707 SYLCTSDBOXUVNA-UHFFFAOYSA-N 255.749 1.686 0 50 CDAA Cc1cc(C(=O)N2CCc3n[nH]c(C)c3C2)nc(C)n1 584896760 UZERLOGPUNLALM-UHFFFAOYSA-N 271.324 1.323 0 50 CDAA Cc1c(NC(=O)CN2CCc3ccccc3CC2)cnn1C 2100539555 NXDORVZWZBWTCE-UHFFFAOYSA-N 298.390 1.768 0 50 CDAA Cc1cc(Cl)ccc1OCCNC(=O)c1cnn[nH]1 2325790503 QWYPSBBMKCDAGR-UHFFFAOYSA-N 280.715 1.575 0 50 CDAA COC1(C(=O)N2CCc3cc(C)ccc32)CC(N)C1 2325801033 RPEZDBPSBCICMH-UHFFFAOYSA-N 260.337 1.390 0 50 CDAA CCc1cccc2c1CCN(c1nc(=N)nc3[nH][nH]cc1-3)C2 2325806133 XPPVNJZKHFESKR-UHFFFAOYSA-N 294.362 1.842 0 50 CDAA CC(=O)C1(NC(=O)C(=O)C2CCCC2)CCCC1 2325811223 DOTWKYPKTBMXFH-UHFFFAOYSA-N 251.326 1.764 0 50 CDAA O=C(O)c1cc(N2CCC[C@H](OCC3CC3)C2)ncn1 871594235 FKLCHMFRBBNGTH-NSHDSACASA-N 277.324 1.570 0 50 CDAA O=C(O)[C@@H]1CCCO[C@H]1c1cnn(CC2CC2)c1 886088093 KOLRZBCSTXPCHK-NEPJUHHUSA-N 250.298 1.845 0 50 CDAA COc1ccc(OC[C@@H](O)CNC(C)(C)C)cc1 73750 FYEVFMXDPUKBJG-NSHDSACASA-N 253.342 1.823 0 50 CDAA CC1CCN(S(=O)(=O)c2cccc3nonc23)CC1 209531 OOWWVYVDEDEPBV-UHFFFAOYSA-N 281.337 1.643 0 50 CDAA CC1(C)CC(=O)c2cnc(NC(=O)C3CC3)nc2C1 210285 SJJRZWNVXGPJKW-UHFFFAOYSA-N 259.309 1.980 0 50 CDAA CCSc1nnnn1-c1ccc2c(c1)OCO2 253705 ITPYLBFXCLIDDJ-UHFFFAOYSA-N 250.283 1.503 0 50 CDAA CCOC(=O)[C@H](C)c1nn(C)c(=O)c2ccccc12 334979 OYUBCTAHBCJQIZ-SECBINFHSA-N 260.293 1.600 0 50 CDAA O=C(NCc1ccncc1)[C@H]1CCCC[C@H]1C(=O)O 375304 WQCMSIZCJMYSFA-NWDGAFQWSA-N 262.309 1.589 0 50 CDAA CCOC(=O)c1cc(C(=O)O)cc(C(=O)OCC)c1 396133 GAVXMTRMXPWCCV-UHFFFAOYSA-N 266.249 1.738 0 50 CDAA COc1ccc(NC(=O)CSc2nnc(C)n2C)cc1 421365 QEGLTKSIZOTUDQ-UHFFFAOYSA-N 292.364 1.863 0 50 CDAA COc1nccn2c(-c3cccc(CO)c3)cnc12 2356154997 SOTIARRMXCMHJH-UHFFFAOYSA-N 255.277 1.897 0 50 CDAA COC(=O)c1ccccc1NC(=O)c1ccnn1C 2737178 MKVVJWRRLDTYJC-UHFFFAOYSA-N 259.265 1.459 0 50 CDAA Cc1cccc(-c2nnn(CC(=O)NC(C)(C)C)n2)c1 2871249 MGIUPHXAWURGTP-UHFFFAOYSA-N 273.340 1.563 0 50 CDAA CCc1nnc(NC(=O)c2ccn(CC)n2)s1 6741740 GOUVNDOIOHXRJN-UHFFFAOYSA-N 251.315 1.569 0 50 CDAA CCOC(=O)CN1CCN(c2ccc3ccccc3n2)CC1 6758138 KQWWPZVAFLVECF-UHFFFAOYSA-N 299.374 1.920 0 50 CDAA CC1CCN(S(=O)(=O)Nc2ccccn2)CC1 8714468 LIDSBJHFVBJTMA-UHFFFAOYSA-N 255.343 1.470 0 50 CDAA COC(=O)C[C@@H](O)CNC(=O)C[C@@H](C)c1ccc(F)cc1 600467320 JORLOFBIYRLFCC-ZWNOBZJWSA-N 297.326 1.360 0 50 CDAA COC(=O)[C@H](C)N(C)C(=O)[C@H]1CCc2ccccc21 225476126 ULWUPPNBTWARNZ-GWCFXTLKSA-N 261.321 1.736 0 50 CDAA CCc1ncc(CN2CCO[C@@H](COCC3CC3)C2)cn1 414440601 YQAYXKOZPSCXKN-OAHLLOKOSA-N 291.395 1.666 0 50 CDAA COc1ccc(CN2CCC[C@@H](NC(=O)C(C)C)C2)nn1 225770272 GEAKQWHXOYUQGO-GFCCVEGCSA-N 292.383 1.222 0 50 CDAA C[C@H]1C[C@@H](C(=O)N2C[C@@H](C)OC(C)(C)C2)CCN1C 225748853 IFTMEZITXDHWAS-XQQFMLRXSA-N 268.401 1.743 0 50 CDAA CC(C)[C@@H](C)n1nccc1NC(=O)CS(C)(=O)=O 55182571 RNNMOSVYUAPZOQ-SECBINFHSA-N 273.358 1.083 0 50 CDAA O=C1CC(=O)[C@H](n2cncn2)[C@@H](c2ccccc2)C1 100007810 HHERVNGKLVPCLC-TZMCWYRMSA-N 255.277 1.535 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCOCC1 248153265 UWQPYIMAIHCPBB-ZIAGYGMSSA-N 266.385 1.498 0 50 CDAA CNC(=O)c1ccccc1-c1cccc2c1O[C@@H](CN)C2 67742166 SXEBHWPTIBKMOG-GFCCVEGCSA-N 282.343 1.975 0 50 CDAA OCCCN1CCc2[nH]nc(-c3cccc(F)c3)c2C1 67974407 SYPAZHQUOCMCLT-UHFFFAOYSA-N 275.327 1.956 0 50 CDAA NCc1ccc(CS(=O)(=O)NCc2ccccc2)cc1 20548742 LELQEKKWXPKVGK-UHFFFAOYSA-N 290.388 1.765 0 50 CDAA C[C@@H](NC(=O)C1(C(=O)O)CC1)[C@@H]1COc2ccccc21 119012514 UPAKWFCSYSWATA-KOLCDFICSA-N 275.304 1.532 0 50 CDAA CC(C)=CCC[C@@H](C)CN1CCN(CCO)CC1 23281355 UBYXKDQTFDGSGI-OAHLLOKOSA-N 254.418 1.979 0 50 CDAA CC[C@H](C(=O)NC)N(c1cc(C)ccc1C)S(C)(=O)=O 65361887 ZFPWOPRUBZHRNB-GFCCVEGCSA-N 298.408 1.594 0 50 CDAA C[C@H](NC(=O)[C@H]1C[C@H]1c1ccco1)C(=O)NC1CCCC1 252478020 ZVDVHPCBXLFSDD-UHTWSYAYSA-N 290.363 1.947 0 50 CDAA COCCN1[C@@H](C)CN(C(=O)c2cccn2C)C[C@H]1C 121005999 HWBNLQIPCBGCML-BETUJISGSA-N 279.384 1.206 0 50 CDAA Cc1ccc(F)c(NC(=O)NCCCn2cncn2)c1 79155471 GCOOABOMPDTADH-UHFFFAOYSA-N 277.303 1.937 0 50 CDAA CN(C)CC[C@@H]1CCCCN1S(=O)(=O)c1cccnc1 77489878 AFAUEHSCJMNFBI-ZDUSSCGKSA-N 297.424 1.577 0 50 CDAA O=S(=O)(Cc1ccon1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 328815051 GGLBKICIOHOEAU-XRRVDJEJSA-N 282.365 1.482 0 50 CDAA COc1cccc(CN[C@H](C)CO[C@H]2CCOC2)c1 151218028 JMSWLMROTACXQG-DOMZBBRYSA-N 265.353 1.979 0 50 CDAA Cn1nc([C@@H]2CCCN2Cc2nccs2)nc1N 284288682 NTZPYBJFJXYCLN-QMMMGPOBSA-N 264.358 1.191 0 50 CDAA C=Cn1cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cn1 364589695 NRPCEIRBVGTFHK-AVGNSLFASA-N 260.341 1.069 0 50 CDAA Cc1nn(CCC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c(C)c1C 1074549705 XKOWEKPONRRETG-BFHYXJOUSA-N 277.368 1.492 0 50 CDAA Cn1nnnc1CN1CCC[C@H]1CN1CCc2ccccc21 368850774 SSHKNVKMMZIPQQ-AWEZNQCLSA-N 298.394 1.237 0 50 CDAA COc1cc(F)c(C(=O)N2CC[C@@H](N)C[C@H]2C)cc1OC 237297265 BJPRGDJTELYPNE-NXEZZACHSA-N 296.342 1.795 0 50 CDAA Cc1nc([C@H](C)NC(=O)COCc2ccccc2)n[nH]1 216465862 VJUIDILVCJFVPH-JTQLQIEISA-N 274.324 1.507 0 50 CDAA Cn1cnc(C(=O)N2CCCc3ccccc3CC2)n1 333968832 UBJPKQKUQGHQAR-UHFFFAOYSA-N 270.336 1.446 0 50 CDAA CO[C@@H]1C[C@H](N(C)C(=O)NCC2=CCCOC2)C12CCC2 334098029 UFPIUVWHQQZECG-UONOGXRCSA-N 294.395 1.932 0 50 CDAA CCc1cc(N2CCC(CO)CC2)n2nccc2n1 72458583 FQCUVHURHYWJCS-UHFFFAOYSA-N 260.341 1.500 0 50 CDAA COC(=O)CN1CCC[C@@H]1c1nc(C(C)C)no1 77471787 COUVNFKSZDXOEA-SECBINFHSA-N 253.302 1.503 0 50 CDAA CCN(CCOC)c1cc(C2CCNCC2)ncn1 71278959 XLKQXEBIWCIALK-UHFFFAOYSA-N 264.373 1.416 0 50 CDAA CCCC[C@@H]1NC(=O)N(Cc2ccoc2C(=O)OC)C1=O 521395012 PFFIJNKMQHETLS-JTQLQIEISA-N 294.307 1.677 0 50 CDAA CO[C@H]1C[C@@H](CN(C)c2nc(C)cc(C)n2)N(C)C1 284582422 PKROEBPDAIYQDV-STQMWFEESA-N 264.373 1.249 0 50 CDAA COC[C@H]1CN(C(=O)Cc2ccc(C)nc2)CC(C)(C)O1 284890771 ARLNHCOWXPCZSL-CQSZACIVSA-N 292.379 1.585 0 50 CDAA C[C@@H]1C(=O)NCCN1Cc1ncc(-c2cccc(F)c2)o1 175162694 SKCHYFGWUHROMW-SNVBAGLBSA-N 289.310 1.801 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(OC)c(O)c1 220703010 SVESYGSXIFFRQF-BXUZGUMPSA-N 295.335 1.325 0 50 CDAA CCc1ccc(CNC(=O)c2ccc(N)nc2)nc1 222263720 INPVVYUIPLLRBN-UHFFFAOYSA-N 256.309 1.551 0 50 CDAA COc1cc(C(=O)NCCSC)ccc1OCCN 426701661 RONIHYXBLFRSLG-UHFFFAOYSA-N 284.381 1.126 0 50 CDAA O[C@@]12CCCC[C@H]1CN(c1ncnc3nc[nH]c13)CC2 220357480 NQXVGOLUHWKTPK-IINYFYTJSA-N 273.340 1.484 0 50 CDAA biogenic O=C(NCc1cccc2c1OCO2)[C@@H]1CCn2ccnc2C1 160303378 RJDRDKAQUJFBRK-LLVKDONJSA-N 299.330 1.491 0 50 CDAA Cc1ccc(CCNC(=O)CCCn2cncn2)o1 223298020 JIDJRXQYGSHSMN-UHFFFAOYSA-N 262.313 1.319 0 50 CDAA Cc1cc(C(=O)N2CCNC(=O)C2)c2ccc(F)cc2n1 46317407 WYQUECWWIZGBKH-UHFFFAOYSA-N 287.294 1.254 0 50 CDAA CCn1ncnc1[C@@H](NC(=O)c1cnc(C)cn1)C1CC1 222723886 FXKIOQNYLCSPLN-LBPRGKRZSA-N 286.339 1.278 0 50 CDAA Cc1n[nH]cc1CN1CCCN(CC(F)F)CC1 290549048 RSYQCBBFRWUKIQ-UHFFFAOYSA-N 258.316 1.491 0 50 CDAA O=C(NCc1nnc2ccccn12)c1ccn(C(F)F)n1 220103810 USZLBSCEIOMYNM-UHFFFAOYSA-N 292.249 1.251 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)NC[C@@H]2CCOC2)c1 426530665 AOHMYOVYXYLMEX-VIFPVBQESA-N 279.292 1.160 0 50 CDAA C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1CC(=O)O 82097673 DCTPCLLPIGZSGW-SECBINFHSA-N 282.727 1.462 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc(N)nc2)n1 222748833 SVPGBSOUKBBTKQ-SNVBAGLBSA-N 273.340 1.296 0 50 CDAA Cc1ccc2nc(C)c(C)c(C(=O)N[C@@H]3CCNC3=O)c2c1 95513078 YCELJOHNDZYCTC-CQSZACIVSA-N 297.358 1.778 0 50 CDAA COc1cccc([C@H]2CCN2C(=O)CN2CCOC2=O)c1 95513329 UEGBGJLNPVJPAS-CYBMUJFWSA-N 290.319 1.421 0 50 CDAA C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](c3ccccc3)[C@@H]12 230104901 MPIISNQCEKKBQG-SQNXGDPESA-N 288.351 1.369 0 50 CDAA CCc1c(C(=O)NCCS(C)(=O)=O)[nH]c2ccccc12 97813864 BGXZDQQTWUPIIE-UHFFFAOYSA-N 294.376 1.505 0 50 CDAA CCOc1ccccc1CC(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91289532 IMDQOVDTAWKRAY-CABCVRRESA-N 288.391 1.824 0 50 CDAA COc1cccn(CC(=O)N2CC=C(C)CC2)c1=O 95523674 RXGHCRQWGLCZEU-UHFFFAOYSA-N 262.309 1.036 0 50 CDAA CN1CCO[C@H](C(=O)N2CCC[C@@H]3CCC[C@H]32)C1 245444664 YGMJGFKOCNRMRR-XQQFMLRXSA-N 252.358 1.108 0 50 CDAA O=C(c1ccc2nccn2c1)N1CCCC[C@@H]1c1nc[nH]n1 181356548 TWTVWWHRJBWEHT-GFCCVEGCSA-N 296.334 1.820 0 50 CDAA C[C@H](Cc1cnccn1)N(C)CCC(=O)Nc1cccnc1 244787685 QBPVXGSAGFYYKF-CYBMUJFWSA-N 299.378 1.763 0 50 CDAA O=c1[nH]ccn1CCN1CCCC2(CCOCC2)C1 244723604 MEIWPUCUFNIBSQ-UHFFFAOYSA-N 265.357 1.069 0 50 CDAA C[C@@H]1SCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[C@@H]1C 343065320 JEPMTNZNMUMMLZ-IYKVGLELSA-N 255.383 1.906 0 50 CDAA CCC[C@]12CNC[C@](CCC)(CN(CC)C1)[C@@H]2O 250221049 WKQPIKSIYRSCAO-QDMKHBRRSA-N 254.418 1.859 0 50 CDAA Cc1c(OCC(=O)Nc2ccccn2)c(=O)ccn1C 263587494 HMHINIDTDPDPCQ-UHFFFAOYSA-N 273.292 1.106 0 50 CDAA Cc1ccnc(CC(=O)NCC[C@@H]2CCCOC2)c1 534635532 MFFFGJAHHYWTAH-ZDUSSCGKSA-N 262.353 1.865 0 50 CDAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccco1 299778548 QMGSKGYGUZDETQ-RYUDHWBXSA-N 264.325 1.263 0 50 CDAA O=C(c1cccc2ncsc12)N1CCS(=O)(=O)CC1 1940197348 JGIQJRLMVMIEAY-UHFFFAOYSA-N 296.373 1.167 0 50 CDAA CC(C)c1nc(CCNC(=O)CCCn2cccn2)no1 299777522 NCZPAFRYURSSME-UHFFFAOYSA-N 291.355 1.529 0 50 CDAA CC(C)[C@H](C(=O)N[C@@H](C)CO)N1Cc2ccccc2C1=O 299754337 BCKMAVHWUXPSMB-SMDDNHRTSA-N 290.363 1.164 0 50 CDAA biogenic CC(C)Cc1nc([C@H]2CCC(=O)NC2)n(CC(C)(C)O)n1 821477613 RCGZJKMFXHQBOR-NSHDSACASA-N 294.399 1.241 0 50 CDAA CC(C)(C)n1nc(CC(N)=O)nc1[C@H]1CC12CCC2 826842458 TZNNALHFQGCULI-SECBINFHSA-N 262.357 1.719 0 50 CDAA COC(=O)[C@@H]1CCN1c1ccc2cccnc2c1C(=O)O 725345689 WPDKSCFQMZOVEF-NSHDSACASA-N 286.287 1.685 0 50 CDAA CC[C@@]1(O)CCCN(Cc2cnc(OC)nc2)C1 822691561 VDHGFZAUKAOYLJ-CYBMUJFWSA-N 251.330 1.222 0 50 CDAA CC1(C)CNC(=O)[C@@H]1NC[C@H](c1ccco1)N1CCCC1 585134639 DFVZVXRBZFVQHQ-OCCSQVGLSA-N 291.395 1.531 0 50 CDAA Cc1cc(C)c(CN2C[C@@H](CO)[C@H](CO)C2)c(C)c1CO 828784517 GNHZUXYOHIYRPH-GJZGRUSLSA-N 293.407 1.137 0 50 CDAA CCc1noc([C@@H](C)NC(=O)c2nn(C)cc2Cl)n1 823569532 XQTONDWHZFONLN-ZCFIWIBFSA-N 283.719 1.510 0 50 CDAA COC[C@H](C)C1CCN(S(=O)(=O)C(C)C)CC1 824332774 VNPIMLZGSJBPKV-NSHDSACASA-N 263.403 1.719 0 50 CDAA Cc1nn(CCCNC2CCOCC2)c(C)c1C 584903974 IQGWODBTJFRGDR-UHFFFAOYSA-N 251.374 1.967 0 50 CDAA O=C1C[C@H](NC(=O)CCCn2cncn2)c2ccccc2N1 584884474 WOJJEUNSOKSNCK-ZDUSSCGKSA-N 299.334 1.258 0 50 CDAA O=c1c2c(F)cccc2ncn1CC[C@@H]1CCCN1 670436365 SIZPKDJQYOSCNX-JTQLQIEISA-N 261.300 1.678 0 50 CDAA Cc1nc([C@@H]2OCC[C@@H]2NC(=O)c2c[nH]cc2C)n[nH]1 685941853 IIRCIKDOASNZHA-WDEREUQCSA-N 275.312 1.010 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCCCO2)c2ccccc21 131981388 HJHIVEKLUFZVMQ-YPMHNXCESA-N 275.304 1.771 0 50 CDAA COCC(=O)N1CCC(CNC(=O)c2cccs2)CC1 948649711 FFGXXOYIDMURDD-UHFFFAOYSA-N 296.392 1.363 0 50 CDAA COC(=O)c1cnn2cc(Br)ccc12 71257459 HCGDDQYSLHRKRM-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro Cn1ccnc1SCCNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565507559 KBEDOYUUSZUCOB-ZJUUUORDSA-N 297.380 1.129 0 50 CDAA COC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565515274 OJVUPEMVLIRZKF-PWSUYJOCSA-N 281.381 1.806 0 50 CDAA Cc1nnsc1C(=O)N1C[C@H](C)[C@@](O)(C2CCC2)C1 1565513295 UDDHAHBTVSXADZ-ISVAXAHUSA-N 281.381 1.470 0 50 CDAA C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(C(=O)O)cc1 268961788 ZHJDUDOIYYRNQA-ZWNOBZJWSA-N 293.319 1.309 0 50 CDAA CC[C@@H]1CN(C(=O)NCCc2ccncc2C)CCO1 270056355 OULBCEBSZGGZKC-CQSZACIVSA-N 277.368 1.753 0 50 CDAA CN(CC1(O)CCOCC1)c1ncnc2c(F)cccc12 302867533 ZMYNJRIHSWZUGC-UHFFFAOYSA-N 291.326 1.747 0 50 CDAA O=S1(=O)CCC[C@H](NC[C@H]2CCC(F)(F)C2)C1 305899469 UISFUDCRCLZKOT-UWVGGRQHSA-N 267.341 1.589 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CC[C@@H](C(=O)O)C1 222174873 XHQUNDPTQYOSTK-WHGOUJPWSA-N 280.324 1.764 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CC[C@@H](C)OC 275406599 SMJVUFLBSPSMLQ-DYEKYZERSA-N 295.383 1.664 0 50 CDAA CCN1CCN(CCSc2ccccc2)C(=O)C1=O 40456332 ZJZCOSLORQCKOA-UHFFFAOYSA-N 278.377 1.469 0 50 CDAA COC(=O)[C@H](NC(=O)Cc1ccsc1)c1ccn(C)n1 170605750 ZRXIPFFEIPUFOA-GFCCVEGCSA-N 293.348 1.055 0 50 CDAA CC[C@]1(C)CN(C(=O)NCCCC(C)(C)CO)CCO1 170604318 PNNNAZKOZCQUKO-OAHLLOKOSA-N 286.416 1.996 0 50 CDAA COc1cccc([C@H](C(=O)O)N(C)Cc2cnn(C)c2)c1 634690016 BBMMCVNNSDRQOO-CQSZACIVSA-N 289.335 1.686 0 50 CDAA CC(C)n1cc(C(=O)N[C@@H]2COc3ccccc3C2=O)cn1 188679016 UMJNYWIEQAZCSK-CYBMUJFWSA-N 299.330 1.838 0 50 CDAA Cc1n[nH]c(=NC[C@@H]2OCCN(C)[C@H]2c2ccccc2)o1 583617560 VBMWVZQFOFNITD-KBPBESRZSA-N 288.351 1.284 0 50 CDAA O[C@@]1(c2cnn[nH]2)CCCN(CCC2CCCC2)C1 583617991 QWQCFSHJGSSSDV-AWEZNQCLSA-N 264.373 1.668 0 50 CDAA O[C@H]([C@H]1CCN(C[C@@H]2CCc3ncnn32)C1)C(F)(F)F 639667233 YKEAHCCWPXMHTP-ATZCPNFKSA-N 290.289 1.011 0 50 CDAA C[C@@H](c1ccncc1)N(C)C(=O)c1ccc2c(c1)B(O)OC2 584937637 AKDMFHQTIDCBHY-NSHDSACASA-N 296.135 1.133 0 50 CDAA Cc1nnsc1C(=O)N(CC(=O)O)Cc1ccccc1 192121066 YHOAEECVKJZBLG-UHFFFAOYSA-N 291.332 1.574 0 50 CDAA CC(C)C[C@@H]1NC(=O)[C@H](c2ccc(O)cc2)NC1=O 1613878535 FKPKUBXWJWBDFP-RYUDHWBXSA-N 262.309 1.094 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)c1sccc1OC 1614998574 HFBQUIICMKNDOQ-RKDXNWHRSA-N 255.339 1.912 0 50 CDAA Cc1nonc1CC(=O)N[C@H]1COc2cccc(Cl)c21 1615052591 VJQSXXCFDQJJTP-JTQLQIEISA-N 293.710 1.824 0 50 CDAA CCc1nccn1CCC(=O)Nc1cnn2c1NCCC2 1506397695 CAXOIEUWMXPZNA-UHFFFAOYSA-N 288.355 1.486 0 50 CDAA CCc1noc(NC(=O)[C@H]2CCN(CCOC)C2)c1C 1506406932 SFTXLMQNNZDLSU-NSHDSACASA-N 281.356 1.452 0 50 CDAA CC(C)N(C)C[C@@H](C)NCC1(Cn2cccn2)CC1 1506405979 YIXFHJRKPHKVBU-CQSZACIVSA-N 264.417 1.982 0 50 CDAA CC[C@@H]1CCCCN1CC(=O)Nc1nccn1C 1529099131 RDJILTWPAOUUBQ-LLVKDONJSA-N 250.346 1.623 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(C(=O)O)CNCC[C@H]12 211174647 NXSFCOFBYPGVMY-TVQRCGJNSA-N 270.329 1.060 0 50 CDAA in-vitro CCn1c(C)cc(C)c(C(=O)N[C@H]2CC[C@H](N)C2)c1=O 211283463 FTFUNUOLEKECBK-RYUDHWBXSA-N 277.368 1.095 0 50 CDAA O[C@@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCOCC1 105606585 YQHLULJNYGIRMM-ZQDZILKHSA-N 269.385 1.132 0 50 CDAA COc1cc(N)c(Cc2nnc(C)c(C)n2)cc1OC 205367155 CEOJRUQYZYOVQU-UHFFFAOYSA-N 274.324 1.679 0 50 CDAA CC[C@@H]1SCCn2c(-c3nc[nH]c3C(=O)NC)nnc21 1800410097 OBVMQERXBKYSAB-ZETCQYMHSA-N 292.368 1.226 0 50 CDAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2ccco2)C1 643754808 GFEJNFFBVPWNHM-AWEZNQCLSA-N 266.341 1.085 0 50 CDAA CCOC(=O)c1ccc2nnc(Br)n2c1 238294843 SPYYVVLTACWPLV-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA CCN1CCN(CCOc2ccc(C=O)cc2)CC1 23094348 NKJUABQRXOGQKI-UHFFFAOYSA-N 262.353 1.515 0 50 CDAA in-vitro OC[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O 583789164 XCQKHLJFHCGOAH-YPMHNXCESA-N 289.297 1.881 0 50 CDAA C[C@@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 123205759 KEZSUZCBIFWAEA-QMMMGPOBSA-N 276.292 1.022 0 50 CDAA Cc1cccc(CC(=O)N2CCC3(CC2)OCCO3)c1 6698407 SASFGOLCSDOJNM-UHFFFAOYSA-N 275.348 1.903 0 50 CDAA CCCCc1nc(CN2C[C@@H](N)C[C@@H](O)C2)c(Cl)[nH]1 1857673418 SDTCHPSMRJACJO-VHSXEESVSA-N 286.807 1.300 0 50 CDAA CN(CC[C@@H]1COCCO1)Cc1nc2ccccc2[nH]1 1775979088 XNYCJGZEDXNXAU-GFCCVEGCSA-N 275.352 1.800 0 50 CDAA CCc1[nH]nc2c1CN(C[C@H]1CCC(=O)N(C)C1)CC2 1775980711 IBEYNKNAUXQNPU-NSHDSACASA-N 276.384 1.199 0 50 CDAA CN1C[C@H](CN2CC(Oc3ccc(F)cc3)C2)CCC1=O 1775980485 BVZXEKPFYFGVDZ-GFCCVEGCSA-N 292.354 1.757 0 50 CDAA O=C(Nc1ccc(N2CCCC2=O)cc1)c1nc[nH]n1 5996982 BXLGRQGYCZYLCH-UHFFFAOYSA-N 271.280 1.184 0 50 CDAA O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCC1CC1 12030045 ADEFYTRGCJQQSX-QGZVFWFLSA-N 294.439 1.920 0 50 CDAA O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCCO1 12590350 IPZNCSOWXBWVCU-UHFFFAOYSA-N 292.726 1.757 0 50 CDAA CCCCc1n[nH]c(SCC(=O)Nc2nncs2)n1 18122733 QPUZXGOBRREZSK-UHFFFAOYSA-N 298.397 1.730 0 50 CDAA C[C@@H](c1ccccc1)N1C(=O)C[C@H](N2CCOCC2)C1=O 19881626 WAAUHEXNMRRHAK-JSGCOSHPSA-N 288.347 1.207 0 50 CDAA Cc1nn(C)c2ncc(C(=O)O)c(N[C@H]3CCN(C)C3)c12 161638515 XHVOKJGYSWKJNT-VIFPVBQESA-N 289.339 1.091 0 50 CDAA O=C1CC2(CCN(C[C@H]3CC=CCC3)CC2)OCCN1 1857685304 QYUDGHNIVBEVPA-AWEZNQCLSA-N 278.396 1.714 0 50 CDAA CCC(=O)N[C@@H]1C[C@H]2CO[C@@H](c3ccccc3)CN2C1 1857718476 VRJDRZAGGJKEHQ-QLFBSQMISA-N 274.364 1.727 0 50 CDAA C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H]1COCCN1 225488850 FXXUPBAXIYYWAM-VHDGCEQUSA-N 274.364 1.379 0 50 CDAA O=C(CCc1nn[nH]n1)N1CCC[C@@H]1c1cccc(F)c1 630788704 LNQDRGCOUVRVCO-GFCCVEGCSA-N 289.314 1.635 0 50 CDAA CO[C@@H]1CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 331913758 KUOJJXUCUACHHV-CYBMUJFWSA-N 272.308 1.128 0 50 CDAA Cc1cccc2c(N3CCO[C@@H]4CCN(C)C[C@H]43)ncnc12 242263390 XYPKNWLFYIBACQ-HUUCEWRRSA-N 298.390 1.848 0 50 CDAA CN[C@H]1CCCN(C(=O)CCOc2ccccc2OC)C1 133203960 WHZQEXMWTCNAOR-ZDUSSCGKSA-N 292.379 1.675 0 50 CDAA C[C@@H]1CC(=O)Nc2ccc(C(=O)N[C@H]3C[C@H](O)C3)cc2N1 912729555 NCXRPZPAJAUFGJ-FBIMIBRVSA-N 289.335 1.082 0 50 CDAA O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(CO)c(F)c1 252481770 CROOXCWKLANVES-NSHDSACASA-N 292.354 1.532 0 50 CDAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCOC(C)=O)C1 585141416 VLVVWKCIDAIAKJ-OCCSQVGLSA-N 284.400 1.566 0 50 CDAA C[C@@H]1CC[C@@H](CCC(=O)N2CCC[C@@H]2CC(=O)O)O1 262864803 FLSZZMNFYHOROD-UTUOFQBUSA-N 269.341 1.800 0 50 CDAA C[C@H]1CCn2ncc(C(=O)N3CC(C)(C(=O)O)C3)c2C1 910059354 DHOIDOWGHVPAJV-VIFPVBQESA-N 277.324 1.012 0 50 CDAA O=C1Nc2ccc(Br)cc2CC[C@H]1O 1857783053 LNGBCFLMWJJIKL-SECBINFHSA-N 256.099 1.695 0 50 CDAA COc1cc([C@@H](C)NC(=O)C2=C(C(=O)O)CCC2)sn1 1875291190 QPLPJXIJZVIQAJ-SSDOTTSWSA-N 296.348 1.894 0 50 CDAA COC(=O)c1nc(NC(=O)[C@H](C)OC)n2ccccc12 1875276294 WWPFHJHBZNAENX-QMMMGPOBSA-N 277.280 1.094 0 50 CDAA Cc1cn2ccnc(C(=O)NCc3coc(C)c3)c2n1 1875324163 KHJUQVISIUGRQT-UHFFFAOYSA-N 270.292 1.869 0 50 CDAA C=CC(=O)N[C@H](CCc1ccc(OC)cc1)C(=O)OC 1875369950 SIEPVDDOKAAGGC-CYBMUJFWSA-N 277.320 1.472 0 50 CDAA Nc1cccc(CNC(=O)c2c[nH]c3nccc-3c2)n1 1875346893 DEZJPOWYLSFUAB-UHFFFAOYSA-N 267.292 1.422 0 50 CDAA C=CC(=O)N1CCC(C(=O)NC2(C)CC(F)C2)CC1 1875370132 CNDQERUTDXJBBL-UHFFFAOYSA-N 268.332 1.418 0 50 CDAA CCN(CCS(C)(=O)=O)C[C@@H]1COc2ccccc2O1 248240204 GUFXOLAGHPPJHT-GFCCVEGCSA-N 299.392 1.193 0 50 CDAA O=C1NCC[C@H]2CCCN(c3cncc(Cl)n3)[C@@H]12 883022057 MNHHYAMTELVLLV-LDYMZIIASA-N 266.732 1.235 0 50 CDAA COCc1nc(O)cc(N2CCC[C@H](c3ncc[nH]3)C2)n1 892301310 XZDNZHKMICBFMV-JTQLQIEISA-N 289.339 1.436 0 50 CDAA CCc1c[nH]c2ncnc(N3CC[C@@H](c4n[nH]c(C)n4)C3)c12 894208465 IJTZRBNVPARPLR-LLVKDONJSA-N 297.366 1.941 0 50 CDAA Clc1cncnc1N1CCN(c2ccnnc2)CC1 895964101 NZKRHJACBGNVOS-UHFFFAOYSA-N 276.731 1.247 0 50 CDAA O[C@@H]1C[C@@H](NCc2cncc(F)c2)C12CCOCC2 895917442 QTOLFLRAKXGBJD-CHWSQXEVSA-N 266.316 1.240 0 50 CDAA COc1ncccc1NC(=O)C[C@@H]1C[C@H](O)C1(C)C 1775989091 CJDSHDVCRBEJKX-ONGXEEELSA-N 264.325 1.826 0 50 CDAA CNC[C@H]1CCCN1C(=O)COc1ccc(C)cc1 237227849 RHSHVQHBFZVNFO-CYBMUJFWSA-N 262.353 1.584 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc32)C1 251672889 VDDQKABIPCSTSC-SCRDCRAPSA-N 274.364 1.748 0 50 CDAA O=C(Cc1ccn[nH]1)N1CCCC[C@H]1c1cc[nH]n1 285858000 APTFWSFRBQARGS-LBPRGKRZSA-N 259.313 1.429 0 50 CDAA Cc1nc(C)c(CNC(=O)C[C@H]2CCCNCC2)o1 563096798 KZRYNFFLEFWCCT-LBPRGKRZSA-N 265.357 1.687 0 50 CDAA Cc1n[nH]c(CN2CCC[C@H]2Cn2ccnc2C)n1 292645884 ZXXQINNXBFWURY-LBPRGKRZSA-N 260.345 1.283 0 50 CDAA COCC1(C(=O)N2C[C@H]3CCC[C@@]3(N)C2)CCC1 621683183 REJKNCJXEUCNPH-BXUZGUMPSA-N 252.358 1.143 0 50 CDAA O=C(CCC(F)(F)F)N1CCC[C@@H](c2nc[nH]n2)C1 331306843 ZTONWPZJCWRBOK-MRVPVSSYSA-N 276.262 1.853 0 50 CDAA CN1CCOc2cccc(N[C@@H]3CO[C@H](CO)C3)c21 2325801647 QNMMZZSHAGYZGD-QWRGUYRKSA-N 264.325 1.077 0 50 CDAA Cc1cncc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)c1 379267795 KQSQTUTYKPUDOQ-QWRGUYRKSA-N 287.285 1.884 0 50 CDAA O=S(=O)(c1ccccc1)N1CC[C@@H]2NCCC[C@@H]2C1 714995138 XWVZDIIJNBKTHD-OCCSQVGLSA-N 280.393 1.449 0 50 CDAA Cc1conc1C(=O)N1CC[C@H]2CC[C@@H](O)[C@H]1C2 721575029 CJJXPLAXBOOVEU-GMTAPVOTSA-N 250.298 1.359 0 50 CDAA COc1ccc(Cc2nc(Cn3ccnn3)no2)c(C)c1 904098998 AFIJMFMXPNJSCW-UHFFFAOYSA-N 285.307 1.617 0 50 CDAA CNC(=O)Cc1nc([C@H]2CC[C@@H](N)CC2)n(C(C)(C)C)n1 2100473236 HIGJIMGBZOPWDU-PHIMTYICSA-N 293.415 1.307 0 50 CDAA COC[C@@]12COC[C@@H]1CN(C(=O)CCc1ccccn1)C2 2100543388 RPHBLHPDQFHTCL-BBRMVZONSA-N 290.363 1.136 0 50 CDAA CC(C)C[C@@H](C(=O)NCc1nc(=O)o[nH]1)c1ccccc1 2325715668 FNENDKSVQGDGBM-GFCCVEGCSA-N 289.335 1.809 0 50 CDAA Cc1n[nH]c2nc(O)c(C(=O)N(C)[C@H](C)C(F)F)cc12 2325800184 VFINWIQFRZTCBJ-ZCFIWIBFSA-N 284.266 1.698 0 50 CDAA COC1(C(=O)NC[C@@H]2CCCc3ccccc32)CC(N)C1 2325801031 RODZTZRFBROPKJ-CBCUQQMYSA-N 288.391 1.729 0 50 CDAA COCC1(C(=O)Nc2nc3ccc(C)cc3[nH]2)COC1 2325811946 YYGSARUUOUCAGK-UHFFFAOYSA-N 275.308 1.473 0 50 CDAA Cc1nnc([C@H](C)N2CCCC[C@H]2CN2CCOCC2)o1 245289572 CTIXUAKXMOYDNX-JSGCOSHPSA-N 294.399 1.626 0 50 CDAA CCN1C(=O)N[C@H](c2cccnc2)C(C(=O)OC)=C1C 67408 OLTVUSSSEQRDLG-GFCCVEGCSA-N 275.308 1.615 0 50 CDAA CCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 121412 GPRMLEQARAQNLJ-UHFFFAOYSA-N 265.265 1.608 0 50 CDAA CCOC(=O)c1c(-c2ccccc2)nc(=O)[nH]c1C 168451 SWIRDXKNRHFQJR-UHFFFAOYSA-N 258.277 1.922 0 50 CDAA Cc1ccc(S(=O)(=O)n2nc(C)cc2N)cc1 1063977 OZAPGSHYLRMKFD-UHFFFAOYSA-N 251.311 1.319 0 50 CDAA O=C(NCCc1ccccc1)C(=O)Nc1nccs1 2240089 VNEDQRYZXCCJRS-UHFFFAOYSA-N 275.333 1.441 0 50 CDAA aggregator CCCNc1nc(Cl)nc(NCC(=O)OCC)n1 2464127 BRDYHUGRYOPAIM-UHFFFAOYSA-N 273.724 1.322 0 50 CDAA Cc1cccc(CNC(=O)C(=O)NCc2ccoc2)c1 2810702 GVAOOTBKQGJZQK-UHFFFAOYSA-N 272.304 1.521 0 50 CDAA CCOc1ccc(C(=O)CCN[C@H](C(=O)O)[C@@H](C)O)cc1 2922160 GQYQIBTUZZSYDH-YGRLFVJLSA-N 295.335 1.082 0 50 CDAA c1ccc2c(c1)OCCOCCOCCOCCO2 4240640 FNEPSTUXZLEUCK-UHFFFAOYSA-N 268.309 1.508 0 50 CDAA in-vitro CCN(CCNC(=O)[C@@H]1[C@H]2CNC[C@H]21)c1cccc(C)c1 102675138 PGNPLWJGXKORMQ-ZSHCYNCHSA-N 287.407 1.403 0 50 CDAA O=C(CCc1ncccn1)NC[C@H](O)c1ccccc1 812454504 MSHHCGCERXRVAZ-ZDUSSCGKSA-N 271.320 1.259 0 50 CDAA COc1cccc(CN2CCN(C)[C@H](CCO)C2)c1 104396730 PRELKPJCCVHDGS-CQSZACIVSA-N 264.369 1.194 0 50 CDAA CCO[C@@H]1C[C@@H](N(C)CC(=O)NC[C@H]2CCCO2)C1(C)C 247312235 WBPCDOZWOBPXHX-MGPQQGTHSA-N 298.427 1.417 0 50 CDAA Cc1nc(CCN)cc(N(C)Cc2ncccc2C)n1 67770614 WCMVHTKJVQCCSJ-UHFFFAOYSA-N 271.368 1.626 0 50 CDAA Cc1nn(CC(=O)N2CCCC[C@@H]2C(=O)O)c(C)c1Cl 136502484 NAWYDKQJCNKCIF-SNVBAGLBSA-N 299.758 1.619 0 50 CDAA CCCc1nc(N)nc2c1C(=O)[C@H](C(=O)OC)C(C)(C)C2 22341872 LLPWWMAEOKENOR-LLVKDONJSA-N 291.351 1.566 0 50 CDAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccncc1Cl 250172497 MPABUWHZXLAKDG-POZPLHJXSA-N 280.711 1.813 0 50 CDAA O=C(O)C[C@@H](NC(=O)c1ccc(CO)cc1)C1CC1 137158155 FAKWNFVRZOUWMN-GFCCVEGCSA-N 263.293 1.162 0 50 CDAA Cc1cc(-c2nnc3sc(-c4ccncc4)nn23)[nH]n1 22502001 KUKHCMIXVSTHCI-UHFFFAOYSA-N 283.320 1.946 0 50 CDAA O=C(O)CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O 170622860 CTSOOJIRMDKVSL-JTQLQIEISA-N 296.710 1.625 0 50 CDAA CCCc1nc(CN(C)C(=O)c2c(O)cccc2O)no1 67643113 QOCVKNFWYFJLQA-UHFFFAOYSA-N 291.307 1.706 0 50 CDAA CCCNS(=O)(=O)c1ccc(N2CCCCC2=O)cc1 12002117 YXFBDLADGUFQHM-UHFFFAOYSA-N 296.392 1.892 0 50 CDAA O=C1CC[C@@H](NC(=O)CCc2ccc(Cl)cc2)C(=O)N1 152182529 DOSSUOKQOZQLPO-LLVKDONJSA-N 294.738 1.194 0 50 CDAA O=C(c1cccnc1S)N1CCOC2(CCOCC2)C1 119651334 CNCRTXZJGFFAPN-UHFFFAOYSA-N 294.376 1.392 0 50 CDAA CN(CCCc1cnn(C)c1)C(=O)c1cccnc1 67790198 AYQZXKYQGBXBBR-UHFFFAOYSA-N 258.325 1.520 0 50 CDAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCNC[C@@H]2C)c1 125445265 YNGHHRANQQACSL-CQDKDKBSSA-N 274.364 1.619 0 50 CDAA O=C1c2ccccc2C(=O)N1N1C(=O)c2ccccc2C1=O 96925 PSZKUURJDMPKFK-UHFFFAOYSA-N 292.250 1.494 0 50 CDAA biogenic CC(C)(C)OC(=O)N1CCN(c2ccncc2N)CC1 35368294 SSZANZXFYGCOGL-UHFFFAOYSA-N 278.356 1.721 0 50 CDAA c1ccc(-c2noc(-c3cn4cccnc4n3)n2)nc1 32603507 UGPBMPIGQOOQHS-UHFFFAOYSA-N 264.248 1.841 0 50 CDAA OCc1nccc(-c2ccccc2)c1-c1nnn[nH]1 72447045 WXVFJNOJIGFPOC-UHFFFAOYSA-N 253.265 1.421 0 50 CDAA Cc1nccc(CN2CC[C@@](CO)(c3ccccc3)C2)n1 368263732 CIHHEKYZLSWFCR-QGZVFWFLSA-N 283.375 1.921 0 50 CDAA O=C(c1cn[nH]c1)N1CC(c2nc3ccccc3[nH]2)C1 216032146 JNTYQBTWGIEKSG-UHFFFAOYSA-N 267.292 1.526 0 50 CDAA CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccncc1 252518056 YOHJKTFFEVJTDV-UONOGXRCSA-N 297.424 1.231 0 50 CDAA C[C@H](NC(=O)c1ccn2ccnc2c1)c1nnnn1C1CC1 252510913 ZRGFJOBCLJFSGW-VIFPVBQESA-N 297.322 1.147 0 50 CDAA O=C(NCCC1=CCCCCC1)N1C[C@H](O)[C@@H](CO)C1 331611930 KEGYFLHHOCSILP-KGLIPLIRSA-N 282.384 1.262 0 50 CDAA CC[C@@H](C)n1[nH]c(=NC(=O)N2CC(N(C)C)C2)cc1C 331789242 PNMAQVFOECGLOR-SNVBAGLBSA-N 279.388 1.362 0 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260.337 1.497 0 50 CDAA O=C1c2ccccc2C(=O)N1c1cccc(CO)c1 40619997 WMVFXFHZAQLFHT-UHFFFAOYSA-N 253.257 1.980 0 50 CDAA COC[C@@H]1CCCN(C(=O)Cc2ccc(C(=O)O)cc2)C1 263314100 HCQAAVBPIHVAKU-CYBMUJFWSA-N 291.347 1.812 0 50 CDAA CN(C(=O)CSc1ccc(Cl)cc1)[C@@H]1CCNC1=O 340456111 WUAPLRQDLYKYLV-LLVKDONJSA-N 298.795 1.779 0 50 CDAA COc1cccc(CN2CCN(C)[C@H](C)C2)c1OC 43058629 BSKLUCGUPGRDHQ-GFCCVEGCSA-N 264.369 1.840 0 50 CDAA CN(C(=O)[C@H]1CCOC1)[C@@H](Cc1ccccc1)C(=O)O 263471651 RZPHFKFLEGLTOZ-STQMWFEESA-N 277.320 1.177 0 50 CDAA CSc1nsc(NC(=O)COC[C@@H]2CCCO2)n1 530998869 GLRLNZVBTCCMRM-ZETCQYMHSA-N 289.382 1.394 0 50 CDAA CCc1cccc(OCCCN(C)C(=O)NCC(=O)O)c1 426420030 MPYILXMPLFYQJF-UHFFFAOYSA-N 294.351 1.744 0 50 CDAA CN(Cc1cnccn1)C(=O)CSCC1CC1 220688090 JANADIKTRHDLOP-UHFFFAOYSA-N 251.355 1.578 0 50 CDAA COC[C@H]1CCN(C(=O)CN(C)Cc2cccnc2)C1 221397629 ZCDJHBAQXFNKQD-AWEZNQCLSA-N 277.368 1.008 0 50 CDAA Cn1cccc1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 132176718 NBMPPNTVNOMKPC-LBPRGKRZSA-N 275.283 1.121 0 50 CDAA CC[C@@H](NC(=O)c1ccnnc1)c1cn2cccnc2n1 220089075 NIKLNBIBPWLORD-LLVKDONJSA-N 282.307 1.400 0 50 CDAA CN(C)c1cnn(CC(=O)N2CCCCCCC2)c(=O)c1 95530023 PEDLNKRCFIVISW-UHFFFAOYSA-N 292.383 1.102 0 50 CDAA Nc1ncc(Br)nc1I 95929612 BSENCWHIBZDGKM-UHFFFAOYSA-N 299.897 1.426 0 50 CDAA in-vitro Cc1nc(CN2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)no1 91745716 DEQDXYKOEDEJQT-QWHCGFSZSA-N 290.367 1.211 0 50 CDAA CO[C@@H]1COCC[C@H]1CC(=O)Nc1nccn1CC(C)C 294450927 GXIJQQJZPBJWEN-QWHCGFSZSA-N 295.383 1.919 0 50 CDAA CCOCC(=O)N1CCn2nc(Cc3ccccc3)cc2C1 97505303 RYXWZEFOPRQRIK-UHFFFAOYSA-N 299.374 1.853 0 50 CDAA CNc1nc(-c2nc(CC(C)C)nn2CC(=O)O)cs1 97713587 RXESRCIMBOBDCC-UHFFFAOYSA-N 295.368 1.726 0 50 CDAA Cc1cc(C)n(C(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)n1 239274682 AOFJPWBHGXBNTE-GWOFURMSSA-N 264.281 1.018 0 50 CDAA FC(F)(F)c1cccc(-n2ncnc2Cn2cnnn2)c1 91894690 COFUIHBTRCSNDA-UHFFFAOYSA-N 295.228 1.321 0 50 CDAA Cc1nccn1CC1(CNC(=O)[C@H]2CCCCN2C)CC1 97413391 XOCVSAORZYXODT-CQSZACIVSA-N 290.411 1.572 0 50 CDAA Cc1nc2ccccc2nc1CN1C(=O)NC2(CCC2)C1=O 299657537 PRCGWBYGNASXLL-UHFFFAOYSA-N 296.330 1.913 0 50 CDAA CC1(C)C[C@@H](O)CCN(C(=O)Cc2cncs2)C1 622656795 LYZRLBIJPBASTL-JTQLQIEISA-N 268.382 1.695 0 50 CDAA Cc1nc(C(C)(C)NS(=O)(=O)c2cccs2)no1 299570402 BCYXGOLTPMLDEO-UHFFFAOYSA-N 287.366 1.653 0 50 CDAA Cc1cccc2oc(CNC(=O)CCn3cnnc3)nc12 534672398 LZPLTNUIVDIANN-UHFFFAOYSA-N 285.307 1.434 0 50 CDAA CC(C)c1nc(N2CCC[C@@]3(CCNC3)C2)no1 534592702 GWFVNFPEDKEGKH-ZDUSSCGKSA-N 250.346 1.773 0 50 CDAA CC(C)C[C@@H](NS(=O)(=O)C(C)C)c1ncnn1C 534582506 GKZOFPPJSMBBKX-SNVBAGLBSA-N 274.390 1.230 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)NCC(C)(C)CO)c1 534667005 PZZXJBBHZCRSNX-UHFFFAOYSA-N 281.308 1.142 0 50 CDAA COc1c[nH]c(C(=O)NCc2cc(C(C)C)on2)cc1=O 534661248 GWHQXMOBPMRARR-UHFFFAOYSA-N 291.307 1.425 0 50 CDAA CCCn1ncnc1[C@@H](C)NS(=O)(=O)c1cccnc1 534665387 KVWCQYRMBGEMFK-SNVBAGLBSA-N 295.368 1.123 0 50 CDAA CCCC[C@@H](NC(=O)NCC(N)=O)c1cccnc1 534643545 QZAWNHLEIAFEFR-LLVKDONJSA-N 264.329 1.097 0 50 CDAA CS(=O)(=O)c1ccc(-c2cnc(C(=O)O)nc2)cc1 675070084 PDEBQUQSMRYMED-UHFFFAOYSA-N 278.289 1.245 0 50 CDAA CCOc1ccnc(N2CCC[C@@H](CCC(N)=O)C2)n1 670454833 OAMSVGVCKNEHCT-NSHDSACASA-N 278.356 1.357 0 50 CDAA CCc1cc(C(=O)N(C)Cc2nncn2CC)on1 584899568 DMPSCLJEYSOMEY-UHFFFAOYSA-N 263.301 1.121 0 50 CDAA COC[C@@H](C)NC(=O)C1CCN(CC=C(C)C)CC1 670468173 IPSJWIDXTLFUGD-CYBMUJFWSA-N 268.401 1.816 0 50 CDAA O=C(NCCSc1cnn[nH]1)c1cccn1C1CC1 670462229 KVOCUNKWCJIYQV-UHFFFAOYSA-N 277.353 1.463 0 50 CDAA Cc1c([C@H](C)NC(=O)Nc2ccnc3ccnn23)cnn1C 1336482513 INQZLGLHZYCPBD-VIFPVBQESA-N 299.338 1.654 0 50 CDAA CC(C)c1nc(CCNC(=O)c2nccn2C)cs1 741260498 FOZYEHMFOZAEKU-UHFFFAOYSA-N 278.381 1.973 0 50 CDAA O=S1(=O)CCc2nc(Cl)nc(Cl)c2C1 44831710 AGJGXYNUEZKNJB-UHFFFAOYSA-N 253.110 1.254 0 50 CDAA in-vitro NC[C@@H]1CNC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 757218611 VHILDOGCIBXCCO-LMLFDSFASA-N 265.323 1.101 0 50 CDAA CCN1CC[C@H]1CNC(=O)Cc1c[nH]c2cnccc12 1483674276 KFOJBHGGEXXXCQ-LBPRGKRZSA-N 272.352 1.316 0 50 CDAA CCn1nncc1C(=O)N1CC(C)(C)OC(C)(C)C1 408063093 PCCVTQUVMYIZGL-UHFFFAOYSA-N 266.345 1.328 0 50 CDAA CC(C)(CO)C(C)(C)NC(=O)[C@@H]1C[C@]12CCOC2 408233353 TXDXWVAOXSPKCF-HZMBPMFUSA-N 255.358 1.326 0 50 CDAA Cc1nnc2ccc(N3CCC[C@@H](CCO)CC3)nn12 517023221 UTYWEIPHSACYQL-GFCCVEGCSA-N 275.356 1.422 0 50 CDAA CCc1cnc(CC(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)[nH]1 635939548 PXHQEMYFFNADGT-SWLSCSKDSA-N 291.395 1.931 0 50 CDAA O=C(Cc1cccc2c1CCNC2)NC[C@@H]1CCC[C@H]1O 637964174 HSWIXWQCHHNXFW-GOEBONIOSA-N 288.391 1.152 0 50 CDAA O=C(c1ccccc1-c1cn[nH]c1)N1CC[C@H]2CCN[C@H]2C1 638204290 YTSYQIPBYGPOAH-WBMJQRKESA-N 296.374 1.901 0 50 CDAA CN(C)c1ccc(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)cc1F 562635720 HEXVUXFTYUIVSP-GXSJLCMTSA-N 293.342 1.276 0 50 CDAA O=C(COC[C@H]1CCCO1)NCc1noc2ccccc12 575069584 BKXMZLLLTYVFGD-LLVKDONJSA-N 290.319 1.640 0 50 CDAA C[C@]1(C(F)F)CN(c2nc(N)nc3c2CCCC3)CCO1 664690243 QDISMIVMMPOFRZ-CQSZACIVSA-N 298.337 1.798 0 50 CDAA C[C@@]1(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)C[C@H]2CC[C@H]1O2 575992224 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N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](N2CCCC2)C1 223406525 FEWCJAQIIVSGDM-MGPQQGTHSA-N 265.401 1.201 0 50 CDAA Cc1cc(C[C@@H]2CN(c3ccccn3)C[C@H]2O)on1 1529162248 YITWGHFTHDFKND-DGCLKSJQSA-N 259.309 1.418 0 50 CDAA CC(C)(C)NC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529139347 QATPWERYNOGHMQ-OLZOCXBDSA-N 276.336 1.157 0 50 CDAA COc1c(CN[C@@H]2CCN3CCCC[C@@H]23)c(C)nn1C 226327225 AICHSUINHAWPNB-KGLIPLIRSA-N 278.400 1.454 0 50 CDAA COC(=O)[C@H]1CCc2nnc(CC(C)C)n2CC1 601044445 PWNHLVKXLMJDNH-JTQLQIEISA-N 251.330 1.602 0 50 CDAA CC(C)(C)OC(=O)N1CCn2nc(C(=O)O)cc2C1 205319933 QIUBDRRELVWSKR-UHFFFAOYSA-N 267.285 1.332 0 50 CDAA in-vitro COc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)ccc1C(=O)O 227175634 JUVYOBQCLNVRHS-LDYMZIIASA-N 279.292 1.899 0 50 CDAA Cc1cccc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)n1 1800411115 GAUGDHNWXJTOOI-AWEZNQCLSA-N 290.363 1.703 0 50 CDAA CCN(C)c1ccnc(N(C)Cc2cc(C)on2)n1 1704308772 JFLNMHNHLAFOOS-UHFFFAOYSA-N 261.329 1.866 0 50 CDAA CCOC(=O)C1CCN(C(=O)CO[C@@H](C)CC)CC1 130358355 ATTXSPJIWTVALH-NSHDSACASA-N 271.357 1.603 0 50 CDAA Cc1noc(CCCC(=O)N2CCCC[C@@H]2CN)n1 131140847 ZWSYDZVLAVGJDI-LLVKDONJSA-N 266.345 1.041 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)cc1F 228342794 MTNPTYVDXYCNQG-GHMZBOCLSA-N 286.372 1.634 0 50 CDAA O=C(O)[C@H]1CN(C(=O)Cc2ccc(Cl)s2)CCO1 263170655 QAYNGPUTDXXDOD-MRVPVSSYSA-N 289.740 1.256 0 50 CDAA CCCc1cc(N2CCC([C@@H](O)CO)CC2)nc(C)n1 1772816237 LGJJRDDHIHZZIG-AWEZNQCLSA-N 279.384 1.307 0 50 CDAA Cc1nc(COC[C@@H]2CCCCO2)n(-c2cnn(C)c2)n1 1772805168 JDTFZIJCXPNQSD-ZDUSSCGKSA-N 291.355 1.395 0 50 CDAA COCc1nnc(NCc2cc(OC)ccc2OC)o1 1772710434 ALSBIFGOZSVWRF-UHFFFAOYSA-N 279.296 1.845 0 50 CDAA COCc1nnc(NC[C@@H]2COc3ccccc3O2)o1 1772707081 SLJYVAYUICCWKU-SECBINFHSA-N 277.280 1.468 0 50 CDAA OC[C@@H](O)C1CCN(c2nc(-c3ccccc3)no2)CC1 1772707210 UDKSXRJDKYXTEU-CYBMUJFWSA-N 289.335 1.306 0 50 CDAA Cc1ccc(F)cc1CN1C[C@@H]2COCC[C@]2(CO)C1 1772710345 QEBNZKRNWWYHQN-GDBMZVCRSA-N 279.355 1.965 0 50 CDAA O[C@H]1C[C@@H]2CN(C3CCN(C4CCCC4)CC3)C[C@H]12 1772703829 JPGGNGJUJJWCGE-KCXAZCMYSA-N 264.413 1.706 0 50 CDAA Cc1cc(C)n(C2CN(c3ncnc4cc[nH]c34)C2)n1 1772809351 UDXGKAGMAIWKEU-UHFFFAOYSA-N 268.324 1.833 0 50 CDAA O=c1ccc(Br)nn1-c1ccncc1 1772718290 PRUONTMEOLBEAV-UHFFFAOYSA-N 252.071 1.390 0 50 CDAA O=S1(=O)N=C(Nc2cccnc2)c2ccccc21 16576758 RMNYMLPTFFOGSD-UHFFFAOYSA-N 259.290 1.643 0 50 CDAA O=C(O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 19685882 SVDPDXOCPJDHOA-UHFFFAOYSA-N 283.349 1.562 0 50 CDAA O=C(NCc1nc2ncccc2o1)c1onc2ncccc12 1857672751 HCXHXDJLQUXHSX-UHFFFAOYSA-N 295.258 1.689 0 50 CDAA CCc1nc(-c2ccc([C@H]3CNC(=O)C3)cc2)n(C)n1 1875243001 KYZZJLFWNYNJSN-GFCCVEGCSA-N 270.336 1.648 0 50 CDAA CN1CCN(Cc2nnc3n2Cc2ccccc2CC3)CC1 1875249493 WKZCZRAGINUFNL-UHFFFAOYSA-N 297.406 1.172 0 50 CDAA CCOC(=O)Oc1c(OC)cc(C(=O)O)cc1OC 156006 KSIOSIYBQLJZIW-UHFFFAOYSA-N 270.237 1.937 0 50 CDAA biogenic,in-vitro O=Cc1c(N2CCCCC2)nc2ccccn2c1=O 297929 BIEKQSISVQMOKS-UHFFFAOYSA-N 257.293 1.497 0 50 CDAA in-vitro CO[C@@H]1CN(C(=O)c2ccoc2Cl)C[C@H]1c1cnn[nH]1 622166558 NRWNKOGKMQKYDF-WCBMZHEXSA-N 296.714 1.306 0 50 CDAA CCn1nncc1C(=O)N(CC1CCC1)CC1CC1 329099045 YYNLJHBAYIWLSJ-UHFFFAOYSA-N 262.357 1.950 0 50 CDAA Cn1nnnc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 332940558 AOVHPTWVRGKARQ-IJLUTSLNSA-N 277.372 1.433 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC[C@H]1O 249512050 NZTNIJWJOAEUKR-SCDSUCTJSA-N 288.347 1.342 0 50 CDAA C[C@H](NC(=O)CCCc1ccccc1)c1nnnn1C 252499292 RYHANWLGJCOQRN-NSHDSACASA-N 273.340 1.410 0 50 CDAA OC[C@]1(Cc2ccccc2)CCCN1CCn1cccn1 253427471 BGWKTJPYEXIHNV-QGZVFWFLSA-N 285.391 1.953 0 50 CDAA COc1ccc2c(c1)OCCN(c1nccc(OC)n1)C2 374572354 ODVFLJFFSBOBMK-UHFFFAOYSA-N 287.319 1.893 0 50 CDAA NC[C@H](NC(=O)c1ccc(N2CCOC2=O)cc1)C1CC1 159152265 VJFKVXVKXMAAJX-ZDUSSCGKSA-N 289.335 1.110 0 50 CDAA CC1(NC(=O)c2cccc(-n3ccnn3)c2)CCC1 161835513 SMPXADFSLFWELM-UHFFFAOYSA-N 256.309 1.940 0 50 CDAA Cc1ccc([C@H](C)CNC(=O)N2CCn3cnnc3C2)cc1 162319811 BVDZOJUCAYVIBD-CYBMUJFWSA-N 299.378 1.915 0 50 CDAA Cc1ncc2c(n1)[C@@]1(CCCN(c3nccc(N)n3)C1)CC2 1704325988 SQJDGKASSJYJMS-INIZCTEOSA-N 296.378 1.642 0 50 CDAA Cc1cccc(CN2CC[C@H](C(=O)O)[C@H](O)C2)c1F 1704313432 NLASFERWCBKCMT-NWDGAFQWSA-N 267.300 1.402 0 50 CDAA C[C@H]1CCOCCN1C(=O)c1ncnc2sccc12 831697152 DEOZVYPXNHQMTH-VIFPVBQESA-N 277.349 1.942 0 50 CDAA CC1(C)[C@]2(C(=O)NOC[C@@H]3CCOC3)CC[C@@]1(C)C(=O)O2 861248634 QZSYUFSYJNZVIJ-WKPIXPDZSA-N 297.351 1.193 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 861957771 JCQHZOYOBJACQJ-UONOGXRCSA-N 294.395 1.030 0 50 CDAA CC(C)(C)OC(=O)N1CC([C@H]2CCCNC2=O)C1 950756217 ZTOBDWYFRFQILD-SNVBAGLBSA-N 254.330 1.380 0 50 CDAA Cc1ccc(-c2noc([C@H]3COC(=O)N3)n2)cc1F 952883586 VJDKUEXEMHEVAI-SECBINFHSA-N 263.228 1.965 0 50 CDAA CCN(CC)S(=O)(=O)N1CC(c2ccccn2)C1 952880322 CQUPXYKKAZYPRA-UHFFFAOYSA-N 269.370 1.067 0 50 CDAA COCC[C@H](NC(=O)c1cc(C)ncn1)c1cccnc1 952993681 KBJQLVYAHWGNGI-ZDUSSCGKSA-N 286.335 1.688 0 50 CDAA CC[C@@]1(C(=O)Nc2cccc(CNC)c2)CCNC1=O 876510065 NINKAJZSCVAAPN-OAHLLOKOSA-N 275.352 1.261 0 50 CDAA O=S1(=O)CC[C@@H](CCNc2ncnc3cnccc23)C1 1875275949 TXGPTELEIFFBIN-SNVBAGLBSA-N 292.364 1.262 0 50 CDAA O=C(Cc1ccc(C(=O)O)cc1)N[C@H]1C[C@H]2C[C@@H](O)[C@@H]1C2 1875304592 OQLNCXVSBHCDHD-AHLTXXRQSA-N 289.331 1.203 0 50 CDAA CC1(c2nn[nH]n2)CCN(C(=O)c2ccccc2)CC1 1875322674 AJAGRZLRJVQQSW-UHFFFAOYSA-N 271.324 1.394 0 50 CDAA CC1CCC(OCC(=O)N[C@@H](C)[C@H](C)C(=O)O)CC1 877871055 JDYPRRWRVXITQW-YECOWLKZSA-N 271.357 1.807 0 50 CDAA C[C@@H]1CCC[C@H](NC(=O)Nc2cn(C)nc2C(N)=O)C1 888095793 WHVAGRVMHVHZJP-BDAKNGLRSA-N 279.344 1.219 0 50 CDAA COC[C@@H](C)C(=O)NCCNC1CCCCCC1 237156140 KGSBYGNPZIPGEL-GFCCVEGCSA-N 256.390 1.698 0 50 CDAA CO[C@@H]1COC[C@@H]1NC(=O)N(C)Cc1c(C)cccc1C 895325995 XSPJZDUAABAJRT-LSDHHAIUSA-N 292.379 1.859 0 50 CDAA C[C@@H](CC(=O)N=[S@](C)(=O)CCO)c1ccc(F)cc1 1775989747 AKDVIZOPGLFEFB-APBUJDDRSA-N 287.356 1.936 0 50 CDAA C[C@H](NC(=O)N1CCC[C@H]1C(F)F)c1ccn(C)n1 1775993142 AWNFNLITGGOPCT-WPRPVWTQSA-N 272.299 1.920 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@H]2CC(=O)O)ncn1 257649227 BNRDSLSIDJPMII-SNVBAGLBSA-N 263.297 1.254 0 50 CDAA CC(C)(CCC(=O)O)NC(=O)c1ccc2nccn2c1 262613908 LOMBWCCBCCPFFC-UHFFFAOYSA-N 275.308 1.708 0 50 CDAA O=C(C[C@H]1CCOC1)Nc1ccnc(C(=O)O)c1 401267208 RRUOGFUEBVQJNS-MRVPVSSYSA-N 250.254 1.145 0 50 CDAA O=S1(=O)CCCN1[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 328588245 MLKWFZIDPBOEOJ-LSDHHAIUSA-N 298.452 1.843 0 50 CDAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cc[nH]n3)C[C@H]2C1 2100534697 UJNNKZBDJHLIAZ-MPZDIEGVSA-N 276.384 1.601 0 50 CDAA Cn1c(CN2C[C@H](c3ccccc3)CC2=O)n[nH]c1=S 5982166 KHKVHVKMKHXUFS-LLVKDONJSA-N 288.376 1.994 0 50 CDAA CC1(C)CCc2cc(N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)nnc21 2325790544 SUYNCZCIMXEHLZ-QIRZIZBZSA-N 285.391 1.906 0 50 CDAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(F)cc1 227901 WBCGNXMFSRXUSV-NSHDSACASA-N 263.268 1.876 0 50 CDAA C=CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 407686 LEVRCPBRWHOYCD-UHFFFAOYSA-N 297.318 1.027 0 50 CDAA O=C(COc1ccc(Cl)cc1)NN1CCOCC1 433111 IAKJBOIPSPUQGJ-UHFFFAOYSA-N 270.716 1.082 0 50 CDAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(C)=O 486308 FXQZLCIYBPSROR-AWEZNQCLSA-N 272.304 1.614 0 50 CDAA biogenic COC(=O)Cc1cc(=O)oc2c(OC)c(OC)ccc12 1050503 UKPMNUOKYHRWFI-UHFFFAOYSA-N 278.260 1.526 0 50 CDAA C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C)C2)C1 2936042 KHMRLDMXJPZIBQ-RYUDHWBXSA-N 252.358 1.503 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 4697735 FLJJAJJARNCUPA-QHSOUUPTSA-N 299.282 1.218 0 50 CDAA O=C(c1ccco1)N1CCN(C(=O)C2CCCC2)CC1 4810950 VWADBVXMEWJFAT-UHFFFAOYSA-N 276.336 1.754 0 50 CDAA COc1cc(CN2CCC[C@@H](CO)C2)cc2c1OCO2 4948195 URPGSBSFLHUJNG-LLVKDONJSA-N 279.336 1.628 0 50 CDAA CC(C)SC(=S)N[C@@H]1CCS(=O)(=O)C1 4954748 MXPDQAHTHLGMCH-SSDOTTSWSA-N 253.414 1.190 0 50 CDAA Cc1cccnc1N1C(=O)[C@H]2C[C@@H](C)CCN2C1=O 225453996 JVNZLWYFXYOFPT-GXSJLCMTSA-N 259.309 1.957 0 50 CDAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)[C@H]1CCNC1 55413929 IAIPZJFUYHGRNY-NSHDSACASA-N 286.331 1.958 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccncc1F 20209600 WPRNJVUHQQPWJH-ZDUSSCGKSA-N 293.342 1.694 0 50 CDAA CCOC(=O)C(=CNc1ncccc1C)C(=O)OCC 100664808 MJNGQOQDYCQJQJ-UHFFFAOYSA-N 278.308 1.812 0 50 CDAA Cc1cn2ccnc(C(=O)NCCn3cccc3)c2n1 346183633 NXSMTGKENAJDKG-UHFFFAOYSA-N 269.308 1.269 0 50 CDAA C[C@@H](C(=O)Nc1ccc2c(c1)CCN2)S(C)(=O)=O 135221550 PYWFYBLSLDYKSN-QMMMGPOBSA-N 268.338 1.026 0 50 CDAA O=C(CN1CCOCC1)Nc1cccc(Br)c1 20388652 IAHCNKULHLKBIL-UHFFFAOYSA-N 299.168 1.720 0 50 CDAA COc1ccccc1C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(=O)O 250992155 MLDWFXFJDVRBKS-WCFLWFBJSA-N 291.347 1.805 0 50 CDAA NCc1cn(CC2CCN(Cc3ccccn3)CC2)nn1 23338835 ZIASYIHRCNCVEY-UHFFFAOYSA-N 286.383 1.044 0 50 CDAA COC[C@H](C)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 171453956 STSRBXYAJVVLJX-GXTWGEPZSA-N 290.363 1.359 0 50 CDAA O=C(NCc1ccccn1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230154494 AQOLKAMAOGSBNA-MJBXVCDLSA-N 275.352 1.838 0 50 CDAA CN[C@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1 150992710 AVDUARDJTFIVCW-OCCSQVGLSA-N 261.369 1.786 0 50 CDAA COCCN1CCC[C@H](NC(=O)N2C[C@H]3[C@H](C2)C3(C)C)C1 252669113 GNHFDXCALNMQCL-IHRRRGAJSA-N 295.427 1.395 0 50 CDAA C[C@H](CNC(=O)C1(C(=O)O)CC1)c1nccs1 235462280 SLTPTQOAEOBZID-SSDOTTSWSA-N 254.311 1.228 0 50 CDAA C[C@H]1CN(C(=O)Nc2nc3c(s2)COCC3)CCC1=O 281051590 XEUXIEPAAKQTPN-QMMMGPOBSA-N 295.364 1.659 0 50 CDAA CCN1CCN(C(=O)c2ncoc2C)C[C@@H]1c1ncc[nH]1 328620964 HMPLGUZKPSCSFP-LLVKDONJSA-N 289.339 1.225 0 50 CDAA COc1ccc(F)c(F)c1CN1CCO[C@@H](CCO)C1 216118756 NZLPEYMGTMNMCZ-JTQLQIEISA-N 287.306 1.557 0 50 CDAA O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCN(c2ccccn2)C1 253419309 LYNJHZVFXPZQLE-NWDGAFQWSA-N 286.335 1.087 0 50 CDAA O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1c1nccn2cnnc12 281705098 BZGXJBSLIKVDAS-JHJVBQTASA-N 287.367 1.644 0 50 CDAA Nc1ncnc(N2CC[C@@H](Oc3ccccn3)C2)c1Cl 375411858 ADCPLIQKXXUXKS-SECBINFHSA-N 291.742 1.765 0 50 CDAA Cc1cnn(CC(=O)N[C@H]2CCCC[C@H]2C(=N)O)c1 331151556 UISYPJSXJKAQBL-MNOVXSKESA-N 264.329 1.402 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1nncn1C1CC1 285973066 WOWHGYPNJDMIEN-WPRPVWTQSA-N 250.302 1.367 0 50 CDAA O=C(NCc1cnc[nH]1)C1(c2ccccc2F)CC1 359148100 TUTNQWCWPQJLBL-UHFFFAOYSA-N 259.284 1.897 0 50 CDAA O=C(NC[C@H]1CCCOC1)[C@H]1CCCN1CC(F)(F)F 360040374 WTQGKDMHMZSPMJ-GHMZBOCLSA-N 294.317 1.556 0 50 CDAA Cc1nc([C@@H](C)NC(=O)Cc2sc(S)nc2C)no1 153032892 FPSJISQRZCTLGM-ZCFIWIBFSA-N 298.393 1.852 0 50 CDAA CCc1ccc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)c(O)c1 332498869 YWTFLXLXHRLJLA-QWHCGFSZSA-N 263.337 1.844 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cn[nH]c2)c1 282351626 FFEGHQKLTAZNON-GXTWGEPZSA-N 287.319 1.366 0 50 CDAA c1ccc([C@@H](CCn2cncn2)Nc2ncncn2)cc1 219510734 OLYKRYKMFLEDFD-CYBMUJFWSA-N 281.323 1.707 0 50 CDAA N=C(N)NCc1cc(Br)c2c(c1)OCCO2 261894773 UTEYTUPJBTTYBG-UHFFFAOYSA-N 286.129 1.203 0 50 CDAA NC(=O)c1cccc(C[C@@H]2CCN(C(=O)c3ccno3)C2)c1 72172975 BSLPRFUOWCJEQG-LBPRGKRZSA-N 299.330 1.478 0 50 CDAA CCOc1ccc(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc1 1074600143 AMPGUAGSTHCAMG-RRFJBIMHSA-N 275.348 1.921 0 50 CDAA O=C(O)CCC(=O)Nc1cc(C(F)(F)F)cnc1O 262073362 FTMLTOJZIUYMLM-UHFFFAOYSA-N 278.186 1.609 0 50 CDAA Nc1c(N2CC[C@@H](c3ccco3)C2)ncnc1-n1cccn1 372180624 OGJAYTPIWIUSKJ-LLVKDONJSA-N 296.334 1.831 0 50 CDAA CN1CCC(OCCCn2ccnc2[C@@H]2CCOC2)CC1 77420790 OKEJRSQJMCUDOT-CQSZACIVSA-N 293.411 1.888 0 50 CDAA CC(C)(O)[C@H]1CCN(C(=O)CCc2cccc(O)c2)C1 215150524 BROIXUMAWNXTAS-ZDUSSCGKSA-N 277.364 1.944 0 50 CDAA Cc1cccc(C2(C(=O)N3CCCO[C@H](CN)C3)CC2)c1 335024377 OJUQAXFBLLXCSD-OAHLLOKOSA-N 288.391 1.603 0 50 CDAA Cc1n[nH]c(C)c1CN1CCN(C2CCCC2)C(=O)C1 215628318 AQJIMPLMWZNXEW-UHFFFAOYSA-N 276.384 1.613 0 50 CDAA CCc1nn(C)cc1NC(=O)[C@@H]1CCc2cncn2C1 335553691 PFGVCRFYHWBEQZ-SNVBAGLBSA-N 273.340 1.380 0 50 CDAA Cc1nn(C)cc1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 335695625 DNJYKIIJGFLXAL-LBPRGKRZSA-N 292.383 1.057 0 50 CDAA COC[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)[C@@H]2CCO[C@@H]21 222887056 GOYFTZITABXUPJ-RNJOBUHISA-N 280.299 1.000 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1 221635982 RLKFVWILYFZZED-SNVBAGLBSA-N 294.355 1.263 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)CCCC(=O)O 426419967 JKHYBTHPZRXYPM-UHFFFAOYSA-N 270.373 1.574 0 50 CDAA COC(=O)CCN1CCN([C@H](C)c2ccccn2)CC1 177113977 FVKCXHOZSQTPFA-CYBMUJFWSA-N 277.368 1.323 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)CCCOc1ccccc1 223183294 QOZWIZYSPMNGMZ-HUUCEWRRSA-N 293.363 1.766 0 50 CDAA Cc1nc(C2CCN(C(=O)NCc3ccoc3)CC2)n[nH]1 426620295 VIMHBOYRCNQKTB-UHFFFAOYSA-N 289.339 1.795 0 50 CDAA CC(C)(C)c1cc(CNC(=O)N2CCC[C@H]2CO)[nH]n1 426517978 TVCFCNXWPZUBEG-NSHDSACASA-N 280.372 1.374 0 50 CDAA CSCC(=O)NC[C@@H]1COc2ccccc2C1 47833580 MMVYHKGUCQIBAC-SNVBAGLBSA-N 251.351 1.717 0 50 CDAA CC(C)Cc1cc(CSc2nnc(CCN)n2C)no1 426434119 OHEXRUBTNTWEQQ-UHFFFAOYSA-N 295.412 1.795 0 50 CDAA Fc1cc(-c2cnn(-c3nn[nH]n3)c2)c2ncccc2c1 426401697 HAQAAUSEGWCNHT-UHFFFAOYSA-N 281.254 1.740 0 50 CDAA CC[C@H](NC(=O)c1ccc(C)n(C)c1=O)c1ccncc1 426478848 FXRRWRKLQUZSLW-AWEZNQCLSA-N 285.347 1.970 0 50 CDAA CSc1ccc(S(=O)(=O)NCC[C@@H](C)N)cc1 178915097 NYJMBRVUECEWLB-SECBINFHSA-N 274.411 1.424 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cccc3c2OCO3)C1 179007408 XODJQHZDVJQRCC-SNVBAGLBSA-N 262.309 1.097 0 50 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1.604 0 50 CDAA CCc1cnccc1C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 347768543 HGARAXWDYSTVCC-LSDHHAIUSA-N 289.379 1.189 0 50 CDAA COC[C@@H](C)NCC1(Cn2nc(C)cc2C)CC1 65374632 NGYRRMWRINPUAI-GFCCVEGCSA-N 251.374 1.905 0 50 CDAA CN(Cc1ccn[nH]1)C(=O)c1cccc(-n2cccn2)c1 20818848 MKSDVOPQIQEUGB-UHFFFAOYSA-N 281.319 1.868 0 50 CDAA CC(C)c1cc(C(=O)NCCNC(=O)C(F)(F)F)on1 67742280 AJAKKOUPAALMTA-UHFFFAOYSA-N 293.245 1.206 0 50 CDAA COCCn1cnnc1[C@@H](C)NC1CCSCC1 65493270 GXQNGAKRFRWORN-SNVBAGLBSA-N 270.402 1.471 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)O)C1 306145222 OUTDNQJTOMOMAU-IVZWLZJFSA-N 271.313 1.343 0 50 CDAA COc1cc(C(=O)NC[C@H]2CCN(C)C2)c2ccccc2n1 67723725 LAPNYWFIDLSUFR-GFCCVEGCSA-N 299.374 1.925 0 50 CDAA CC(C)NC[C@H](O)COc1ccc2[nH]cc(CCN)c2c1 196448 ZSLHLIONVFHYSW-ZDUSSCGKSA-N 291.395 1.407 0 50 CDAA biogenic O=C(NC(=O)c1ccccc1)NC(=O)c1ccccc1 347630 VCXYSAZTMYGBLO-UHFFFAOYSA-N 268.272 1.966 0 50 CDAA biogenic COc1ccccc1CCC(=O)NC[C@@H]1C[C@H](F)CN1 216469742 CECJTCVLIIHACM-STQMWFEESA-N 280.343 1.444 0 50 CDAA CO[C@]1(C)C[C@@H](NC(=O)[C@]2(C)CCNC2)C1(C)C 430070099 WTPORTZLMROTLY-LERXQTSPSA-N 254.374 1.306 0 50 CDAA CN(C(=O)C[C@H]1SC(N)=NC1=O)C1CCC(C)(C)CC1 124901222 LRIHQHNXBHJSOG-SNVBAGLBSA-N 297.424 1.760 0 50 CDAA O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@H](F)C1 331887894 WOKGVSJZXUZEFN-QMMMGPOBSA-N 273.285 1.148 0 50 CDAA Cc1c[nH]nc1CNC[C@@H]1CC(=O)Nc2ccccc21 368233315 XIQIKGVIKFALAP-NSHDSACASA-N 270.336 1.934 0 50 CDAA Cc1cccc2nnc(-c3cnn4cccnc34)n12 32540686 FTMTVEKMHHKFNC-UHFFFAOYSA-N 250.265 1.747 0 50 CDAA C[C@H]1CN(C(=O)c2ccc3c(c2)N(C)CCO3)CCO1 376430560 XDURAECNTLTJIV-NSHDSACASA-N 276.336 1.376 0 50 CDAA CCN(C)C(=O)[C@H]1CSCN1C(=O)C1=CCCCC1 128085669 XJGOHRYLAZSTEE-GFCCVEGCSA-N 282.409 1.867 0 50 CDAA c1cn([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)nn1 333479115 PBQVKVZTEQHWEM-JTQLQIEISA-N 269.312 1.391 0 50 CDAA Cc1ccnc(N2CCC[C@H](c3nc(N(C)C)no3)C2)n1 239667891 BRURYQLHCYEIMK-NSHDSACASA-N 288.355 1.618 0 50 CDAA C[C@]1(c2ccccc2)C[C@@H]1C(=O)N1CC(S(C)(=O)=O)C1 333756828 OFHLZQVUPQTJNW-UKRRQHHQSA-N 293.388 1.220 0 50 CDAA NC(=O)COc1cccc(CN2CCC(F)CC2)c1 215576703 KEOMUIJJDZOMBG-UHFFFAOYSA-N 266.316 1.485 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1c(Cl)nc2ccccn12 238078439 YMIHGEOSFSPJOP-QMMMGPOBSA-N 293.710 1.677 0 50 CDAA CC(C)[C@@](C)(CC(=O)O)NC(=O)c1cccnc1 262903477 IFMQXBSYKFWQCT-CYBMUJFWSA-N 250.298 1.701 0 50 CDAA CNCC(=O)N1CCC[C@H]1c1nc2c(C)cccc2[nH]1 71639467 BHINWJAEAOYNMD-LBPRGKRZSA-N 272.352 1.754 0 50 CDAA CN1CCN(C(=O)[C@H]2C[C@]23CCNC3)c2ccccc2C1 335411496 GBPCDVNVIQFNOT-PBHICJAKSA-N 285.391 1.465 0 50 CDAA O=C(O)c1n[nH]c2c1CN(Cc1ccncc1Cl)CC2 1602566784 FNMYJHNDTHOWCU-UHFFFAOYSA-N 292.726 1.715 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@]2(CC2(F)F)[C@H]1C(=O)O 1536219920 XVQDSBDLNVUPSN-LDWIPMOCSA-N 263.240 1.716 0 50 CDAA C[C@@H](C[C@@H](O)c1ccco1)Nc1ccnc(C(N)=O)c1 132724397 GKNCLLPUVWDGSG-JOYOIKCWSA-N 275.308 1.698 0 50 CDAA O=C(CCC(=O)c1ccc(F)cc1)NCCn1cccn1 194142838 PXOKNUAWOMCWOW-UHFFFAOYSA-N 289.310 1.802 0 50 CDAA COc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1C 41095360 VUOLKBZORQZTMV-LBPRGKRZSA-N 299.392 1.769 0 50 CDAA CC(C)c1[nH]ccc1C(=O)N[C@@]1(CCO)CCOC1 287062059 MFSQXALTJFKOEV-AWEZNQCLSA-N 266.341 1.409 0 50 CDAA CC(C)CN(Cc1cnn(C)c1)C(=O)C[C@H]1CCOC1 426628856 UYSJEWAQAJBRBM-CYBMUJFWSA-N 279.384 1.831 0 50 CDAA COCCCOC1CN(C(=O)c2ccoc2C)C1 176924252 CBGJAAXJSIWMGX-UHFFFAOYSA-N 253.298 1.466 0 50 CDAA CN(C)C[C@H](O)c1cc2n(n1)CCCN(CC1CCC1)C2 222782589 SNISBODOUULBRR-INIZCTEOSA-N 292.427 1.484 0 50 CDAA O=C(NCc1ccc2c(c1)CCCO2)c1cc(CO)ccn1 222951493 LCXXFVRIMFXXPJ-UHFFFAOYSA-N 298.342 1.829 0 50 CDAA C[C@@H]1CN(c2nc(C(N)=O)cs2)CC(C)(C)O1 292613027 WZHVDDXPOFTGGL-SSDOTTSWSA-N 255.343 1.246 0 50 CDAA Cc1cnn(CCCNC(=O)[C@@H]2COc3ccccc3C2)c1 95509371 UHVCKRQUNWOQHA-HNNXBMFYSA-N 299.374 1.949 0 50 CDAA Cc1nc(-c2ccc3c(c2)OCO3)n(CC(=O)O)n1 96151043 QVZJDZNBIVZDMS-UHFFFAOYSA-N 261.237 1.067 0 50 CDAA CC(C)[C@@H]1C=CCN1C(=O)c1cnc(C2CC2)[nH]c1=O 91617037 ALAUSEPTVHUYTC-LBPRGKRZSA-N 273.336 1.684 0 50 CDAA COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 97756757 XSKIKHWPEKWVCL-SSDOTTSWSA-N 255.220 1.491 0 50 CDAA Cn1ncc(Br)c1[C@@]12CCOC[C@H]1O2 521399634 ZXSDPHLCAMFTKX-VXNVDRBHSA-N 259.103 1.197 0 50 CDAA O=C(O)c1n[nH]cc1CN(CCO)C1CCCCC1 240824799 QKXZISUPBDCJEU-UHFFFAOYSA-N 267.329 1.235 0 50 CDAA CN(Cc1nccs1)c1cc([C@H]2C[C@@H](O)C2)ncn1 244884216 YHPBHQKJTOKLBT-AOOOYVTPSA-N 276.365 1.808 0 50 CDAA Cn1c(CNC(=O)c2ccncc2)nnc1C1CCC1 184010198 IPWQOCCSOUENAX-UHFFFAOYSA-N 271.324 1.408 0 50 CDAA O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1C=CCN1 534672347 FONLFGJMEINLJR-OAHLLOKOSA-N 286.375 1.379 0 50 CDAA COC(=O)CNC(=O)C[C@@H](c1ccsc1)n1cccc1 263587032 BFGQJWOCWHMZFL-LBPRGKRZSA-N 292.360 1.818 0 50 CDAA CCn1c(C)cc(C(=O)NCc2nc(COC)no2)c1C 534636232 HYAKUHCWSBUDCE-UHFFFAOYSA-N 292.339 1.584 0 50 CDAA Cn1nccc1-c1ccnc2nc(-c3ccco3)nn12 263587469 HFSKODXFRRULRW-UHFFFAOYSA-N 266.264 1.785 0 50 CDAA Cc1ccc(F)cc1C(=O)N1CCOC[C@@H](C(=O)O)C1 700400346 XCXUGUHUGBOATH-JTQLQIEISA-N 281.283 1.307 0 50 CDAA Cc1cccc([C@@H](CNC(=O)c2cn[nH]c2)N(C)C)c1 534592240 NODQIWFJVFTYOI-CQSZACIVSA-N 272.352 1.751 0 50 CDAA COC[C@H](NC(=O)c1cc(C)nc(C)n1)c1ccccn1 534634204 DHOHMFJMFDLIRJ-AWEZNQCLSA-N 286.335 1.606 0 50 CDAA COCC1(CNC(=O)C[C@@H](C)n2ccnc2C)CC1 534590172 LDAUEWQSZQMHGJ-LLVKDONJSA-N 265.357 1.685 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cccnc1O 299802403 ZJEXWKHIXNGGFD-RYUDHWBXSA-N 294.355 1.016 0 50 CDAA CCn1ncnc1[C@@H](NC(=O)c1cncs1)C1CC1 299776767 HEQLDHLLBDRDLQ-JTQLQIEISA-N 277.353 1.636 0 50 CDAA CCn1nc(CN[C@H]2CCNC(=O)CC2)c2ccccc21 396749440 PCNFMZUADDYYFI-GFCCVEGCSA-N 286.379 1.815 0 50 CDAA Cc1cc(C(=O)NC[C@H](C)c2nc(C)cs2)nc(N)n1 299797685 OQLHGSUVEFPGHS-ZETCQYMHSA-N 291.380 1.666 0 50 CDAA CCOCC(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 823316700 VKXZOQKDURURBN-UHFFFAOYSA-N 280.324 1.372 0 50 CDAA COCC1(CNC(=O)c2ccnc(OC)c2)CCC1 824346763 DPYKFHRTHKASJP-UHFFFAOYSA-N 264.325 1.637 0 50 CDAA CO[C@H]1CN(Cc2c(C)cc(C)c(CO)c2C)C[C@@H]1O 584889186 DLTRUIDUMZDCGQ-HOTGVXAUSA-N 279.380 1.296 0 50 CDAA CCc1ccc(C(=O)N(C)Cc2nc(CCOC)no2)[nH]1 584893440 SRYDYCPMIABQQY-UHFFFAOYSA-N 292.339 1.421 0 50 CDAA Cc1cc(C(=O)N2CCC3(CCO3)CC2)c(O)nc1C 584886777 JFUVYOXENBJSID-UHFFFAOYSA-N 276.336 1.799 0 50 CDAA Cc1cccc(-n2ncnc2CCCN2CCOCC2)n1 670456246 DCDWDSVCCHYLFS-UHFFFAOYSA-N 287.367 1.236 0 50 CDAA CC[C@@H](NC(=O)C1CCOCC1)c1ncc(C)[nH]1 670471151 NNMSZBNMOWCOGC-LLVKDONJSA-N 251.330 1.712 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)CN2CCCC2=O)cn1 670444879 RDACXHCDVYAXCH-LLVKDONJSA-N 261.325 1.190 0 50 CDAA CC(C)(C)[C@@H]1CCN(C(=O)c2cocn2)CCO1 1350087363 GKCACAVGRZRJCL-NSHDSACASA-N 252.314 1.952 0 50 CDAA O=C(NCCCN1CCOCC1)c1cc(F)ccc1F 16647512 MTTOCOXOXXOBHS-UHFFFAOYSA-N 284.306 1.417 0 50 CDAA Cc1sccc1C(=O)NS(=O)(=O)C[C@H]1CCCO1 408495964 OUPKLIKMHVPJIR-SECBINFHSA-N 289.378 1.295 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2c2cnc3ccccc3n2)n1 275205701 AINOPANVQYIFOR-ZWNOBZJWSA-N 297.318 1.634 0 50 CDAA C[C@H]1CNC[C@@H](C)OB(B2OC(C)(C)C(C)(C)O2)O1 170011638 IGLQSAGCEMHFPH-AOOOYVTPSA-N 268.959 1.059 0 50 CDAA in-vitro Cn1ccc(NC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)n1 170618503 NOQZDVWTFLEZHM-UHFFFAOYSA-N 298.224 1.415 0 50 CDAA C[S@](=O)c1nncn1CC(=O)C(C)(C)c1ccccc1 280062843 ZGRHEHVBTISWIZ-FQEVSTJZSA-N 291.376 1.562 0 50 CDAA Cn1nncc1CC(=O)N1CCC[C@H](Cc2ccccc2)C1 668366220 FUDHHSHZRHPWCP-OAHLLOKOSA-N 298.390 1.839 0 50 CDAA O=C(CCC(F)(F)F)N1CCNC[C@H]1c1ccncc1 581720860 HRBIQPKERGHVRJ-NSHDSACASA-N 287.285 1.897 0 50 CDAA Cc1cccc2c1C[C@@H](C(=O)NCc1ncccc1O)N2 638279803 SCXAOKISNHWEAD-ZDUSSCGKSA-N 283.331 1.749 0 50 CDAA Cn1ccc2c(C(=O)NCc3cnn[nH]3)cccc21 673918769 ISMMVJPKTXVSSX-UHFFFAOYSA-N 255.281 1.226 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(N(C)C)cn1 190487017 KZHCACJUWOUWBE-JQWIXIFHSA-N 263.341 1.901 0 50 CDAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CCC[C@H]2C[C@@H]21 585082959 NPXYFLXIPJNQOY-JQWIXIFHSA-N 258.325 1.792 0 50 CDAA O=C(NCCCCO)c1cccc2scnc12 585121015 CAPQCCHUWMCSDP-UHFFFAOYSA-N 250.323 1.799 0 50 CDAA CN(Cc1ccns1)Cc1nnnn1C(C)(C)C 585116027 DRUCVDTVGTTZGD-UHFFFAOYSA-N 266.374 1.517 0 50 CDAA CO[C@@H](C)C(=O)NCc1c(C(=O)O)oc2ccccc12 738049259 KVIXHGBGVCOHGU-QMMMGPOBSA-N 277.276 1.782 0 50 CDAA C[C@@H](O)C1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1 195543393 LNVOSNSYMLUQSS-WBMJQRKESA-N 288.391 1.493 0 50 CDAA CCCc1occc1C(=O)N(CC(=O)O)C1CCOCC1 571135712 AFIJLTXKXPUXRW-UHFFFAOYSA-N 295.335 1.938 0 50 CDAA Cc1noc([C@H](C)N2CCN(CC(C)(F)F)CC2)n1 1615623180 LXBDDKSNBCOSDU-VIFPVBQESA-N 274.315 1.712 0 50 CDAA O=C(OC1CCCC1)N1CCN(Cc2cnccn2)CC1 1616036203 PPRPXSPPZWNWSP-UHFFFAOYSA-N 290.367 1.673 0 50 CDAA CC(C)N1CCC[C@H]1CNc1cc(C(N)=O)ccn1 1506396940 PPMQRPUOVFTGDI-LBPRGKRZSA-N 262.357 1.465 0 50 CDAA C[C@H]1CCCCN1C1CN(c2nccnc2N(C)C)C1 1529167454 JWUOWYOUWRAFAP-LBPRGKRZSA-N 275.400 1.606 0 50 CDAA NC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 131695232 UUFVVLWSPSYTSS-QMMMGPOBSA-N 292.763 1.591 0 50 CDAA Cc1cncc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 1704337250 YPIUNTWSPRRQGR-ZIAGYGMSSA-N 270.336 1.850 0 50 CDAA Cc1cc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc(C)c1F 1704314830 VLWOPMGCUQQTPS-KGLIPLIRSA-N 292.354 1.389 0 50 CDAA CCC1=C(C(=O)N2C[C@@H](O)C3(CC3)C2)CCCO1 368994510 PYIIZPOKTVCMMR-GFCCVEGCSA-N 251.326 1.444 0 50 CDAA CCN(CC)CCCN1CC(=O)N[C@H]2CCCC[C@H]21 230245955 BRIYFEAZGSDLHR-UONOGXRCSA-N 267.417 1.461 0 50 CDAA CO[C@H](CN)CC(=O)NCCc1c[nH]c2ccccc12 232118559 VSJBZMAHWPPQES-LBPRGKRZSA-N 275.352 1.190 0 50 CDAA CN(CCCn1cccn1)C[C@H]1CCC(=O)N(C)C1 1775984506 WNAARFFERHDXBT-CYBMUJFWSA-N 264.373 1.073 0 50 CDAA Cc1nnc2n1CCN(Cc1ccc3c(c1)CCO3)CC2 12245457 XEHJYGLXWSMHNZ-UHFFFAOYSA-N 284.363 1.580 0 50 CDAA O=C(O)C1CCN(c2ncnc3ccsc23)CC1 12370757 VWNHOIKUCNKRDY-UHFFFAOYSA-N 263.322 1.992 0 50 CDAA Cc1cc(=O)n2nc(COc3ccccc3)nc2[nH]1 16956675 SPRCDTLDRJOFOK-UHFFFAOYSA-N 256.265 1.305 0 50 CDAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCN1CCCC1 18143972 UHZVARWABQKUTG-VXGBXAGGSA-N 282.771 1.600 0 50 CDAA CC(C)OC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1[C@H]1C[C@H]12 169619825 MRYDRSPUGRYMMW-IQMQYZSSSA-N 250.294 1.707 0 50 CDAA COC(=O)CCCC(=O)N[C@H]1CCCc2c1c(C)nn2C 1857691924 GUZBTNWLNXMGPG-NSHDSACASA-N 293.367 1.565 0 50 CDAA c1ccn2c(Cn3ccnc3-c3cnc[nH]3)cnc2c1 1875248799 PDJSTCCJLSFWEG-UHFFFAOYSA-N 264.292 1.969 0 50 CDAA COc1ccc(CCNC(=O)N[C@H]2C[C@@](C)(O)C2)cc1 419422385 XDXFZVQGYXUXQE-JNSHFYNHSA-N 278.352 1.450 0 50 CDAA CO[C@@H]1CCCCC[C@@H]1NC(=O)N1CC[C@H]([C@@H](C)O)C1 230225083 PWVLZYPDTUCPLU-ZOBORPQBSA-N 284.400 1.746 0 50 CDAA CSCCCN1C[C@H](O)C[C@@H]1c1nc(C)no1 328614862 AMVGRBQHPZEYPO-NXEZZACHSA-N 257.359 1.239 0 50 CDAA C[C@H]1CN(C(=O)Cc2cccc3c2CCNC3)[C@H](C)CO1 637929968 RHVYUKGIQGVVIB-OLZOCXBDSA-N 288.391 1.511 0 50 CDAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)Cc1cccc(F)c1 237633246 LSFIAXFFADIORD-GXFFZTMASA-N 286.372 1.467 0 50 CDAA COc1cc(NCc2nc3ccccc3c(=O)[nH]2)ncn1 32498409 DEPJVWXCYNXHKV-UHFFFAOYSA-N 283.291 1.334 0 50 CDAA Cc1nccc(N2CCC(c3nncn3C)CC2)n1 266327748 GJJJHKPJOGXNSB-UHFFFAOYSA-N 258.329 1.298 0 50 CDAA CNC(=O)COc1ccc([C@](C)(O)[C@H]2CCCN2C)cc1 818024339 KTMMCYBDXSJKEY-ZBFHGGJFSA-N 292.379 1.113 0 50 CDAA Cn1cc(CCNC(=O)N2CCCC2)c2cccnc21 866147839 XUMDQRIMQZHHKY-UHFFFAOYSA-N 272.352 1.921 0 50 CDAA Cn1cncc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 236072797 OEHNSYYUQRIITB-VWYCJHECSA-N 277.324 1.278 0 50 CDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](c2ccc(OC)c(O)c2)NC1=O 1875278866 QQNWRHBKCNZUES-AQUOVQTQSA-N 292.335 1.103 0 50 CDAA C[C@H]1CCCn2c(CC(=O)NOCC3CC3)cnc21 1875274284 CREOYDPCQFPKSL-JTQLQIEISA-N 263.341 1.781 0 50 CDAA O=C(NCCc1ccnc(O)c1)c1cccc2nc(O)[nH]c12 1875335097 SEUKHKXGYKNNEM-UHFFFAOYSA-N 298.302 1.342 0 50 CDAA CN(C)C/C=C/C(=O)NCc1ncccc1-n1cccn1 1875374113 BAAGWUZTSWFAHX-QPJJXVBHSA-N 285.351 1.001 0 50 CDAA Cc1[nH]nc2c1CN(C(=O)N=c1cc[nH]cc1)CC2 1875315598 AQDWOFJGPIYCCQ-UHFFFAOYSA-N 257.297 1.125 0 50 CDAA O=C1NCc2ccc(C(=O)NCCCc3cn[nH]c3)cc2N1 1776005133 BWDCVGKKBGPXPK-UHFFFAOYSA-N 299.334 1.407 0 50 CDAA O=C(NCc1cn([C@H]2CCOC2)nn1)c1ccccc1 899725550 SZSFOVUVZJLJIB-ZDUSSCGKSA-N 272.308 1.170 0 50 CDAA CN1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 22800699 BNDNNCCQGPSPAB-UHFFFAOYSA-N 290.392 1.482 0 50 CDAA Cc1nnnn1-c1cccc(NC(=O)c2ccoc2)c1 41985378 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O=C(NOCc1cccnc1)c1cc(O)nc(C2CC2)n1 1329056378 WAVAOTQUNIRXTI-UHFFFAOYSA-N 286.291 1.316 0 50 CDAA CS[C@@H](C)C(=O)N(C)CCCCN1CCOCC1 584900279 ZOKVVQHFASAETE-LBPRGKRZSA-N 274.430 1.309 0 50 CDAA CC(C)[C@H](CNc1cccc(C(=O)N(C)C)n1)N(C)C 584900405 KIAOLUBXIZCYOT-ZDUSSCGKSA-N 278.400 1.782 0 50 CDAA COCCn1cnnc1[C@@H](C)NC(=O)c1ccncc1C 584901214 MWOPPUNAUWEPFJ-LLVKDONJSA-N 289.339 1.119 0 50 CDAA O=c1c2c(F)cccc2ncn1CC1(CO)CCOCC1 584894280 XXPICCKYUSGDIR-UHFFFAOYSA-N 292.310 1.325 0 50 CDAA CC(=O)NC[C@H]1CCCN(Cc2nc(C)c(C)n2C)C1 670444606 DKEKVFFQVXHLAY-CQSZACIVSA-N 278.400 1.385 0 50 CDAA CN(C)C(=O)N1CCC(C(=O)N2CCCC2)CC1 53919792 FCGQPJWDDQXEPE-UHFFFAOYSA-N 253.346 1.002 0 50 CDAA O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCc2c(F)cccc2C1 1553426208 VBUKLDRDJQVHSK-KKUMJFAQSA-N 290.338 1.230 0 50 CDAA CSCC[C@H](NC(=O)c1ccncc1C)C(=O)O 385363449 GRTRASYZUMLLMO-JTQLQIEISA-N 268.338 1.326 0 50 CDAA CC[C@@H]1C=CCN1C(=O)c1ccc(S(C)(=O)=O)cc1 952967546 ZQBXLWKVIVFSJV-GFCCVEGCSA-N 279.361 1.881 0 50 CDAA Oc1n[nH]c(CNCc2ccccc2Cn2cccn2)n1 952983820 RRCYIOHWBHTYTP-UHFFFAOYSA-N 284.323 1.045 0 50 CDAA COc1ccc(Cl)cc1-c1nc(C(=O)N(C)C)n[nH]1 952981006 NBXJGGQBTRISKR-UHFFFAOYSA-N 280.715 1.836 0 50 CDAA Cc1ccnc(NC(=O)C2CCS(=O)(=O)CC2)c1 408144376 JSHLSUUJJPUKDS-UHFFFAOYSA-N 268.338 1.153 0 50 CDAA CCOc1ccccc1CN1C[C@@H](C)[C@H](C(N)=O)C1 408474004 YCCDNPYZAHGYAX-DGCLKSJQSA-N 262.353 1.639 0 50 CDAA O=C1CCCC[C@H](C(=O)NC[C@@H]2C[C@H]2c2cccnc2)N1 408522797 LUJANFOBYLMPKU-MELADBBJSA-N 287.363 1.360 0 50 CDAA CC(C)(C)SCCNC(=O)NC[C@@H]1CC[C@@H](O)C1 170608201 GZMHPSWAGSMMNC-GHMZBOCLSA-N 274.430 1.978 0 50 CDAA Cc1[nH]cnc1CC(=O)N[C@@H]1COc2ccccc2C1 279196853 KICZVMDHJSQNAA-LBPRGKRZSA-N 271.320 1.381 0 50 CDAA Cn1ccc2ccc(NC(=O)N[C@]3(CO)CCOC3)cc21 186109119 VAOCMPNCFRXDFO-HNNXBMFYSA-N 289.335 1.451 0 50 CDAA C[C@H](O)CNc1cc(N2CCC[C@H](F)C2)ncn1 581930764 JIXLEOOSLZHNAD-UWVGGRQHSA-N 254.309 1.208 0 50 CDAA CCO[C@@H]1C[C@](CO)(NC(=O)Cc2ccncc2)C1(C)C 188803454 SJPUSZLAILOBJY-CZUORRHYSA-N 292.379 1.306 0 50 CDAA Cc1cc(C)c2c(c1)CCN(c1nccn(C)c1=O)C2 189229929 JCEJIGWWWHYBIA-UHFFFAOYSA-N 269.348 1.960 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(CO)c(F)c1 189446423 ZSIGJWRGMCLFEK-GXFFZTMASA-N 281.327 1.749 0 50 CDAA Cc1nc2ncnn2c(NC[C@@H](O)c2cccnc2)c1C 584908167 ZIEILPRYUBUMOX-GFCCVEGCSA-N 284.323 1.282 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@H]1CCC(=O)O1 585127684 HFHYVYBULGYCDV-NNYUYHANSA-N 251.326 1.635 0 50 CDAA O=C(CCc1ccncc1)NCCCOc1ncccn1 585130636 XBYHVKLDQLVSAW-UHFFFAOYSA-N 286.335 1.390 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCCn1cnnc1O 585126608 CZVRLAWUDDIRDX-SRVKXCTJSA-N 278.356 1.316 0 50 CDAA N=c1nc(N2CCOCC3(CCC3)C2)c2c([nH]1)CCCC2 645211625 IQWCLHRTKCYZKX-UHFFFAOYSA-N 288.395 1.775 0 50 CDAA OCCN[C@H]1CCCN(Cc2ncc(Cl)s2)C1 708643509 ZSIDTRPJJFUGPF-VIFPVBQESA-N 275.805 1.343 0 50 CDAA Cn1cc([C@H]2CSCCN2C(=O)C[C@@H]2CCCO2)cn1 191999032 HBSGFWDENMQRGG-QWHCGFSZSA-N 295.408 1.606 0 50 CDAA O=C(NC[C@@]1(O)CCc2ccccc21)Nc1cnns1 192322880 ADNWTYWZDCFYTC-ZDUSSCGKSA-N 290.348 1.494 0 50 CDAA C[C@@H](Nc1nccc(-c2cnccn2)n1)[C@H]1CCCNC1 561264761 OZIUSYURCTYPDJ-NEPJUHHUSA-N 284.367 1.734 0 50 CDAA COc1cc(CCNC(=O)[C@H]2CCCN2)ccc1F 195555078 OTECRNNYXMDYHA-GFCCVEGCSA-N 266.316 1.245 0 50 CDAA COc1c(N)ncnc1N1CCC(Cn2cccn2)CC1 570827093 ORLDOWAOCPLKMC-UHFFFAOYSA-N 288.355 1.181 0 50 CDAA Cc1nonc1CN1C[C@@H](C(F)(F)F)OC(C)(C)C1 795067199 XMCQNOBWHFZGHW-VIFPVBQESA-N 279.262 1.920 0 50 CDAA CC(C)C[C@H]1C[C@@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 1615002928 PGTLJAMENDSPIU-ZFWWWQNUSA-N 299.378 1.756 0 50 CDAA COc1ccnc(CNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)c1F 1615553499 LOKHIXHBMHYMGR-DBIOUOCHSA-N 293.342 1.219 0 50 CDAA COc1nsc(CN[C@@H]2CCc3ncnn3C2)c1Cl 1616039157 XSLQGXDDNMHWAG-SSDOTTSWSA-N 299.787 1.501 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1ccc2ccccc2c1 407949 MTBLFHJIPMDFST-CYBMUJFWSA-N 279.361 1.889 0 50 CDAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)c2cnn[nH]2)cc1 1506399006 VQEXQXFKNVHSJV-HNNXBMFYSA-N 299.378 1.844 0 50 CDAA CSc1ccccc1C(=O)N1C[C@@H]2CC(=O)N[C@@H]2C1 1857703402 KVXMOKSVQMRSCP-GXSJLCMTSA-N 276.361 1.369 0 50 CDAA CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(C)n2)C1 1506403376 QSIAMYIIHVURNW-SECBINFHSA-N 253.733 1.616 0 50 CDAA CCc1nn(C)c(NC(=O)[C@@H]2CCCN(C)C2)c1CC 1506400270 CKMQJYALXPPLBX-LLVKDONJSA-N 278.400 1.825 0 50 CDAA CC[C@@H](NS(=O)(=O)N1CCCCC1)c1ccnn1C 1506419486 CWPNXSJQSYXRSD-LLVKDONJSA-N 286.401 1.192 0 50 CDAA O=C(O)/C=C/c1ccc(S(=O)(=O)N2CCCC2)cc1 535261 HEVXYJIQQRXSEG-VMPITWQZSA-N 281.333 1.569 0 50 CDAA biogenic,in-vitro Cc1cc(C(=O)Nc2c3c(nn2C)CSC3)no1 1529168220 ZTTWNJFLKKMMNV-UHFFFAOYSA-N 264.310 1.716 0 50 CDAA COc1ccc(OCc2nnc(S)n2C)cc1 6557177 NZMQXAVVJCNYRY-UHFFFAOYSA-N 251.311 1.691 0 50 CDAA in-vitro COc1ccc(CC(=O)N2CCN[C@@H](C)C2)c(Cl)c1 237175266 IWQLXXLWOBAAJW-JTQLQIEISA-N 282.771 1.711 0 50 CDAA CC(C)c1ncncc1C(=O)N(C)[C@@H](C)C(=O)O 262929428 XFGTVFVMBKXJMC-QMMMGPOBSA-N 251.286 1.145 0 50 CDAA Cn1nccc1CN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 122895874 WGQOAFFFPSMXRI-STQMWFEESA-N 294.399 1.956 0 50 CDAA Cn1ccc(C2CCN(C3CCOCC3)CC2)cc1=O 1772816200 IFYJJCCJGXUBDB-UHFFFAOYSA-N 276.380 1.744 0 50 CDAA CCc1ccccc1OCCN1C[C@H]2C[C@@H](O)[C@H]2C1 1772707477 SZQQRNFWXTWRCR-QLFBSQMISA-N 261.365 1.940 0 50 CDAA CC(=O)N[C@@H]1C(=O)N(C)c2ccc(Br)cc21 5050159 RYRSYLBEXKGAGV-JTQLQIEISA-N 283.125 1.603 0 50 CDAA CC(C)NC(=O)[C@@H]1CCCN(C2CCN(C)CC2)C1 12205930 PEXVNUNEIOBZQA-CYBMUJFWSA-N 267.417 1.317 0 50 CDAA CC(C)(C)CN1C[C@@H](NC(=O)CCc2ccco2)CC1=O 15064821 LWLNQUYUMYXXMT-LBPRGKRZSA-N 292.379 1.975 0 50 CDAA O=C1c2ccccc2C(=O)N1CCCn1cccn1 169726166 XVMAETWCOTYRCA-UHFFFAOYSA-N 255.277 1.569 0 50 CDAA COc1cc(C)ccc1OCCON1C(=O)CCC1=O 2868374 GPNXEQFTVVNUFS-UHFFFAOYSA-N 279.292 1.463 0 50 CDAA COCCCNC(=O)C(=O)Nc1cccc(C)c1C 2993850 CWRRFWLXEMKLSN-UHFFFAOYSA-N 264.325 1.395 0 50 CDAA Cc1ncc2c(I)[nH]nc2n1 205747076 SGACRMKVGCVCJZ-UHFFFAOYSA-N 260.038 1.266 0 50 CDAA Cc1ccc2c(c1)c1c(n2C[C@@H](O)CO)C(=O)CCC1 3879961 HHPJGUUNRWULQC-LLVKDONJSA-N 273.332 1.822 0 50 CDAA Cc1ccc(Br)c(CS(N)(=O)=O)c1 156951303 RJHLNEPAKYBNEL-UHFFFAOYSA-N 264.144 1.546 0 50 CDAA Cc1nc([C@H]2CCn3nccc3C2)n(-c2cnn(C)c2)n1 1857679841 XRTMNFYYCPOCPU-NSHDSACASA-N 283.339 1.236 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)c2cnc(O)[nH]2)c1 1857692873 YJNWFTYKUNCGSJ-UHFFFAOYSA-N 260.297 1.399 0 50 CDAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 192870 LNWAYWWOYHEHJX-UHFFFAOYSA-N 268.228 1.580 0 50 CDAA in-vitro CC[C@H](C)OCC(=O)N1CCO[C@@H](c2ccco2)C1 120477015 GHLPVJHXYUTXNL-WCQYABFASA-N 267.325 1.995 0 50 CDAA CO[C@@]1(C)CCCN(C(=O)CCc2cnccn2)CC1 330079143 IMYYNHYUGRRULA-HNNXBMFYSA-N 277.368 1.827 0 50 CDAA Cn1ccnc1[C@H]1CCCN1Cc1ccc(C(N)=O)cc1 368429503 OKIMUKISXDCSKN-CQSZACIVSA-N 284.363 1.856 0 50 CDAA Cc1cc(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)no1 262083482 HEJWMGZFYAIULC-RTXFEEFZSA-N 292.335 1.770 0 50 CDAA CC(C)c1nc2ccccc2n1Cc1noc(C(N)=O)n1 904052135 GCAXNOXHHHWYNT-UHFFFAOYSA-N 285.307 1.690 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(F)cc1)C2 1704313619 KAWYFHBBWQEEEU-FZMZJTMJSA-N 278.327 1.228 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)Nc1ccn(C)n1 912124893 WBYBRVIJIMKXND-OAHLLOKOSA-N 286.335 1.168 0 50 CDAA Cc1nnc([C@H](C)N[C@@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)s1 926164450 MJSVRSVSALUCBV-MIKCJTPRSA-N 265.382 1.921 0 50 CDAA Cn1cc(CN2C[C@H](CO)Cc3cccc(F)c32)cn1 828725769 YRWSKFFJZQEHNQ-LLVKDONJSA-N 275.327 1.730 0 50 CDAA CN(C[C@H](O)CO)C(=O)c1ccc(C(F)F)c(F)c1 935193321 QKZGVOQTTHNFPB-QMMMGPOBSA-N 277.242 1.189 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1ccc(OC2COC2)cc1 861178629 OJLYMWWJQSFKSO-UHFFFAOYSA-N 290.319 1.047 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C 861957103 PZHIOIAXVXQZTK-NSHDSACASA-N 298.383 1.067 0 50 CDAA Cc1ccc2ncc(CN[C@]3(CO)CCOC3)cc2c1 952877657 SVYMNWFALYOFIC-INIZCTEOSA-N 272.348 1.784 0 50 CDAA CC1(C)C(C(=O)NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)C1(C)C 952888099 CQRUWNNBVRACHV-UWVGGRQHSA-N 292.383 1.681 0 50 CDAA Cn1cc(Cc2nc([C@]3(C)CCCCO3)no2)cn1 952992797 BOMDGHWDQLSRKZ-ZDUSSCGKSA-N 262.313 1.810 0 50 CDAA CCc1c[nH]c2ncnc(N3CC[C@@H](CO)[C@@H]3C)c12 1163167380 XLDYKPANIDIEEI-ONGXEEELSA-N 260.341 1.727 0 50 CDAA CCOc1ccnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1 1875275786 OHODFTLMXXQIHK-GFCCVEGCSA-N 278.356 1.180 0 50 CDAA C=CC(=O)N1CC(C(=O)N2CCC[C@H]2C2(C)CC2)C1 1875387724 USCVDSPAXWQHSM-LBPRGKRZSA-N 262.353 1.422 0 50 CDAA O=C(c1cc2ccsc2[nH]1)N1CCC[C@@](O)(C(=O)O)C1 1875393927 RGHNNLIEDFHHQC-ZDUSSCGKSA-N 294.332 1.281 0 50 CDAA CN(CC(=O)O[C@H]1CCC2(COC2)C1)[C@H]1CCSC1 1875318843 WOSSODBMMFVILD-RYUDHWBXSA-N 285.409 1.536 0 50 CDAA O=C1NCCN1C1CCN(Cc2nccn2C2CC2)CC1 891405517 DEWFVOYXSBWFII-UHFFFAOYSA-N 289.383 1.208 0 50 CDAA COC[C@H](O)CNc1ccc2cc(Cl)cnc2n1 893722399 DOJZFGUHXOKGIQ-SNVBAGLBSA-N 267.716 1.702 0 50 CDAA CN1CCC[C@@H]1c1cc(C(=O)N2CCCCC2)n[nH]1 895427765 KLGLUUTXEBKCEG-CYBMUJFWSA-N 262.357 1.803 0 50 CDAA CC[C@@H]1CN(C[C@H](O)COc2ccccc2)C[C@H]1O 252512146 NFQZBSHZLRFEQB-VNHYZAJKSA-N 265.353 1.129 0 50 CDAA Cc1nnc(CN(C)Cc2nc(C3CC3)no2)s1 299764207 YBGXQRDLDBMRRJ-UHFFFAOYSA-N 265.342 1.739 0 50 CDAA C[C@H](O)CCCN[C@@H]1CCCC[C@H]1S(C)(=O)=O 331166240 BGCOPQSAOAZNBG-QJPTWQEYSA-N 263.403 1.093 0 50 CDAA C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NC[C@@H](CC1CC1)C(=O)O 630199612 FXVOOSPAWUFONR-DMWPJOQESA-N 269.341 1.417 0 50 CDAA C[C@H]1NCCC[C@H]1C(=O)NCc1noc2c1CCCC2 639034007 WUMXFAZOSCRNSM-GHMZBOCLSA-N 277.368 1.558 0 50 CDAA CC1CCC(CN2C[C@@H]3OCCN(C)[C@H]3C2)CC1 336329198 JRBOKPHKHFWPRU-WUCCLRPBSA-N 252.402 1.828 0 50 CDAA O=C(O)c1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)ccn1 386759434 HVJVJROCCXQBJY-WCABBAIRSA-N 262.265 1.286 0 50 CDAA O[C@@H](CN1CC[C@H](C2CCOCC2)C1)c1cccnc1 878300972 JTQWOLTZZDRXQB-HOTGVXAUSA-N 276.380 1.864 0 50 CDAA COC(=O)c1cnc(Nc2ncc(C)c(N(C)C)n2)nc1 2100537582 QPNLBZZZAWWNEF-UHFFFAOYSA-N 288.311 1.171 0 50 CDAA c1cnc(-c2nccc(C3CN(CC4CC4)C3)n2)nc1 2325779707 YSRSYPAVXGPWSI-UHFFFAOYSA-N 267.336 1.743 0 50 CDAA O=C(O)[C@H]1CC=CCN1C[C@H](O)Cc1cccc(F)c1 2325803487 JXRLISAVWHEZCD-ZIAGYGMSSA-N 279.311 1.444 0 50 CDAA O[C@@H]1CCC[C@H]1N1CCN(c2ccnc3ncccc23)CC1 872441556 HDMMGTWSCZVWJN-HZPDHXFCSA-N 298.390 1.665 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2O)c1 317797 LJJUDIOQLWVAAH-UHFFFAOYSA-N 293.300 1.891 0 50 CDAA Nc1nc(-c2ccco2)nn1C(=O)c1cccs1 350109 FKSBYRRUPVAOMS-UHFFFAOYSA-N 260.278 1.870 0 50 CDAA Cc1ccc(-c2ccc(=O)n(CC(=O)O)n2)c(C)c1 4543083 SEMQOMFUPCHVGY-UHFFFAOYSA-N 258.277 1.612 0 50 CDAA Cc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1 4866266 IXQOSBOQMFDUIO-UHFFFAOYSA-N 279.299 1.983 0 50 CDAA COC(=O)CSc1nnc(-c2cccs2)n1C 6728950 PITOVAJJEUUPPU-UHFFFAOYSA-N 269.351 1.809 0 50 CDAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1 100620879 LAFKZPDITZBAJG-GVARAGBVSA-N 298.342 1.656 0 50 CDAA CCN(Cn1nc(O)ccc1=O)c1ccc(C)cc1 8782293 FIKPIAGJIAKSHJ-UHFFFAOYSA-N 259.309 1.741 0 50 CDAA CCN(CC)C(=O)CN(C)Cc1ncc([C@H](C)O)s1 225637273 MMLXOXARXVSUOA-JTQLQIEISA-N 285.413 1.497 0 50 CDAA CCO[C@H]1COC[C@@H]1Nc1cc(NC(C)C)ncn1 65459132 UNTVAOMDAFORNY-QWRGUYRKSA-N 266.345 1.513 0 50 CDAA COc1cc(N[C@@H]2CCCN(Cc3cccnc3)C2)ncn1 65488612 PALNNWMOBXDZOA-CQSZACIVSA-N 299.378 1.957 0 50 CDAA CCc1ccccc1OCCN[C@H](C)c1nnn[nH]1 65451333 NKGQKNCHLOFTLO-SNVBAGLBSA-N 261.329 1.492 0 50 CDAA Cc1nc(C)n(CCNC(=O)CC[C@@H]2CCCCN2C)n1 65406349 BPKPDOHUTKQNPZ-AWEZNQCLSA-N 293.415 1.276 0 50 CDAA C[C@@H](c1ccc(F)cc1)N(C)CCCC(=O)NC(N)=O 139127774 BFEOABLVDBFBRZ-JTQLQIEISA-N 281.331 1.794 0 50 CDAA COc1ccc2[nH]c(CNC(=O)c3ccc(=O)[nH]c3)cc2c1 67908029 SYOAFQXGWGMKEZ-UHFFFAOYSA-N 297.314 1.795 0 50 CDAA NC[C@H]1Cc2cccc(-c3ccccc3C(N)=O)c2O1 67712953 WEJQBZTUZREQEI-LLVKDONJSA-N 268.316 1.715 0 50 CDAA CCCc1ncncc1C(=O)N1Cc2cnc(CC)nc2C1 67973770 DSCIIKVMQCGVTJ-UHFFFAOYSA-N 297.362 1.938 0 50 CDAA Cc1cnc(NC[C@@H](CO)[C@@H]2CCOC2)nc1C 281043109 RLGRFQWKPOELHO-NEPJUHHUSA-N 251.330 1.150 0 50 CDAA Cc1nc([C@@H](C)NS(=O)(=O)C[C@H]2CCCO2)cs1 330635060 CTBPXPOVNAENQR-PSASIEDQSA-N 290.410 1.611 0 50 CDAA COc1cccc(N2Cc3nn(C(C)C)c(=O)n3C2=O)c1 65363059 JMZFKHWLYOMWOM-UHFFFAOYSA-N 288.307 1.623 0 50 CDAA COc1ccccc1N1CCN(c2nnc(N)s2)CC1 1418534 OJONZTNAFUVHRQ-UHFFFAOYSA-N 291.380 1.456 0 50 CDAA Cc1cnc(C)c(NCCN2CCOC(C)(C)C2)n1 184103488 HDMBUCLULVRALQ-UHFFFAOYSA-N 264.373 1.616 0 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COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(=O)O 299753406 YDIOUJZEAUWVDV-YIZRAAEISA-N 281.283 1.732 0 50 CDAA CN(C)CC(C)(C)CNc1cc([C@H]2C[C@@H](N)C2)ncn1 252550364 SLXCUXCMBXQWRM-TXEJJXNPSA-N 277.416 1.681 0 50 CDAA O=C(O)Cn1cc(-c2ccc3c(c2)OCCO3)cn1 534668566 VYKOSFHASOVRKY-UHFFFAOYSA-N 260.249 1.406 0 50 CDAA COc1ccccc1C1CCN(C(=O)[C@@H]2C=CCN2)CC1 534580389 DRVKUGPOVBFSMV-HNNXBMFYSA-N 286.375 1.929 0 50 CDAA CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc2cccc(F)c2o1 534575270 HRDINCDQOWQHFX-AAEUAGOBSA-N 292.310 1.631 0 50 CDAA Cn1ncc2ncc(C(=O)NC3Cc4ccccc4C3)cc21 1940197138 ULMLGDAGIJHWFX-UHFFFAOYSA-N 292.342 1.866 0 50 CDAA C[C@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2O1 299779253 UUNGNTYDBXLSDQ-LBPRGKRZSA-N 290.363 1.072 0 50 CDAA CCc1n[nH]c(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)c1C 299777760 ONAYMYBYTBUBCL-JYAVWHMHSA-N 290.411 1.693 0 50 CDAA O=C(Cc1cccnc1)NC1CCN(c2cnccn2)CC1 299788702 WWHKIJPQWTVYLA-UHFFFAOYSA-N 297.362 1.199 0 50 CDAA Cc1ncsc1CCNC(=O)[C@@H](C)Cn1cncn1 827628001 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1.881 0 50 CDAA COC[C@@H]1[C@H](NC(=O)Cc2cccc(O)c2)[C@H]2CCO[C@@H]12 1565528827 SSJRPRLVRYWZDE-RRCSTGOVSA-N 291.347 1.101 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(CCOC(=O)N2)C1 91363968 QTLHYQWDUPJIEP-LBPRGKRZSA-N 256.302 1.496 0 50 CDAA in-vitro C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)c1ccccn1 275265674 IPIGIUJFOVXNSG-WDEREUQCSA-N 286.335 1.800 0 50 CDAA COc1nc(C)nc(N[C@@H](C)CN2CCOCC2)c1C 170598831 PZCLKFLBNXQGFL-JTQLQIEISA-N 280.372 1.235 0 50 CDAA Cc1nc(CN(C)Cc2cnnn2Cc2ccccc2)no1 668797573 CLFGLDBHYIAWAH-UHFFFAOYSA-N 298.350 1.650 0 50 CDAA Cc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)no1 578591174 MFGXYDRCLGVQNN-UHFFFAOYSA-N 282.296 1.079 0 50 CDAA FC1(F)CCC[C@@H]1NCc1cn(C[C@@H]2CCOC2)nn1 631135786 DMDBOHXYVKVHSM-JQWIXIFHSA-N 286.326 1.592 0 50 CDAA CCOc1ccc(NC(=O)N2C[C@@H](N)C[C@@H]2C)nc1C 632957391 XSLQJDVQZBKXKO-ONGXEEELSA-N 278.356 1.742 0 50 CDAA Cc1ccc(CCC(=O)N2CCC[C@@](O)(CO)C2)cc1 72145382 QUIYIAUCJBTOIO-INIZCTEOSA-N 277.364 1.273 0 50 CDAA CCN(C(=O)c1cnn(CC2CC2)c1)[C@H](C)C(=O)O 633137629 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Cc1nccn1[C@@H](C)C(=O)NCCCc1ncc[nH]1 426490207 KANPPRBYAFUBTP-JTQLQIEISA-N 261.329 1.225 0 50 CDAA CCOc1ccnc(NC[C@]2(C)CCN(C)C2)n1 823399289 IAEZOGYTHQMPOG-ZDUSSCGKSA-N 250.346 1.629 0 50 CDAA Cc1ccc(Br)c(C(=O)NC2([C@H](C)O)CC2)n1 825678786 WHBAUZTVULHUND-QMMMGPOBSA-N 299.168 1.796 0 50 CDAA COc1cc(F)ccc1CN[C@@H](C)c1nncn1C 952873241 JNGJHALTRBTQNL-VIFPVBQESA-N 264.304 1.814 0 50 CDAA CC1(C)C[C@H](Nc2nccs2)CCS1(=O)=O 896997543 AUIFNAJYAWPAHG-MRVPVSSYSA-N 260.384 1.911 0 50 CDAA Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(F)c2)n1 4094552 DVVXLGIUOFRSIV-UHFFFAOYSA-N 293.323 1.948 0 50 CDAA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)NO[C@@H]1CCOC1)C2 2325792569 TYQVOYKAPBUENG-ADEWGFFLSA-N 279.340 1.152 0 50 CDAA C[C@@H]1C[C@H]1c1noc(CC(=O)NO[C@H]2CCCCO2)n1 2325798194 VBGULRSCOUOQTH-LNLATYFQSA-N 281.312 1.310 0 50 CDAA COc1ccc(CNC[C@H]2CCCO2)c(OC)c1 268563 UMUVEGLNWVUCTM-CYBMUJFWSA-N 251.326 1.972 0 50 CDAA COc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)c(OC)c1 546123 BDIRAJHDCVWGIX-SECBINFHSA-N 299.330 1.989 0 50 CDAA 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0 50 CDAA Cn1cc(-c2cc(CN3CCCC[C@@H]3C(=O)O)on2)cn1 566625068 HOIYVSFTMGKOSQ-CYBMUJFWSA-N 290.323 1.514 0 50 CDAA Cc1nccnc1C(=O)NCCc1c(C)nn(C)c1C 666259102 RMFQNZYBRGISIS-UHFFFAOYSA-N 273.340 1.108 0 50 CDAA COc1ccnc(CNC(=O)N2CCCO[C@H](C)C2)c1F 666636364 QMJGQBBWYDGLSU-SNVBAGLBSA-N 297.330 1.550 0 50 CDAA O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1C=CCN1 1857694773 XDMGSJHMXZYVOH-NSHDSACASA-N 254.692 1.623 0 50 CDAA CCCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O 101129345 RBTUTAHZJMPQMZ-ZDUSSCGKSA-N 275.352 1.702 0 50 CDAA COc1cccc(C(=O)N(C)CC(OC)OC)c1 440639 YUBAYXCHRKRNRU-UHFFFAOYSA-N 253.298 1.386 0 50 CDAA Cc1c(NC(=O)[C@H]2Cc3ccccc3C(=O)N2)cnn1C 1506410500 LMIVUQHIWYWHAR-GFCCVEGCSA-N 284.319 1.022 0 50 CDAA O=c1[nH]nc(SCC2CC2)n1C[C@H]1CCCO1 122806203 WUSZOURFVRZILO-SECBINFHSA-N 255.343 1.253 0 50 CDAA CCN1CCOC[C@@H]1C(=O)NCc1nc(C)c(C)s1 330656318 LFXYDKJALGKNCA-LLVKDONJSA-N 283.397 1.097 0 50 CDAA CNC1CCN(S(=O)(=O)c2sc(C)nc2C)CC1 237104962 RUUUISNXVDCRCN-UHFFFAOYSA-N 289.426 1.132 0 50 CDAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CC[C@H](N)C2)c1 237427804 PBUWPKUYHNWFDF-MNOVXSKESA-N 282.771 1.975 0 50 CDAA NS(=O)(=O)C[C@@H]1CC[C@H](Nc2nccs2)C1 1262716917 WGWDBPBBUXECRA-SFYZADRCSA-N 261.372 1.012 0 50 CDAA COc1cccc(C(=O)N2CCOC[C@@H](C)C2)c1OC 372881686 OFNIWEACVUIJSZ-NSHDSACASA-N 279.336 1.812 0 50 CDAA CNCCC(=O)N1CCC(Oc2ccccn2)CC1 262438719 URMCEDUFKSBMKS-UHFFFAOYSA-N 263.341 1.061 0 50 CDAA [O-][n+]1c2ccc3nonc3c2nn1-c1ccc(F)cc1 858750 VCPJMVJEQAJBHG-UHFFFAOYSA-N 271.211 1.334 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)C[C@H]1CCC(=O)N(C)C1 1772813514 DUYZKNSETAXCJI-GFCCVEGCSA-N 286.379 1.863 0 50 CDAA CC(C)[C@H](CNC(=O)c1cncn1C)N1CCCC1 1772805377 MLVZSKIYBVPDHM-LBPRGKRZSA-N 264.373 1.270 0 50 CDAA COCc1noc(-c2ccc(N3CCCOCC3)nc2)n1 19595160 RONPZMZAIBOQQV-UHFFFAOYSA-N 290.323 1.505 0 50 CDAA Cc1nonc1CC(=O)N[C@@H]1CCCc2c1c(C)nn2C 1857679885 ZGCVRLPEWOFXHD-SNVBAGLBSA-N 289.339 1.156 0 50 CDAA CN(CCn1cnc2ccccc21)c1ncnc2[nH]cnc12 1857691999 KAZFODPVKGZCAD-UHFFFAOYSA-N 293.334 1.839 0 50 CDAA O[C@@H]1CN(c2ccnc3[nH]ncc23)C[C@H]1Cc1ccccn1 1857723067 VUGXQGHEPUULBM-IAQYHMDHSA-N 295.346 1.393 0 50 CDAA C[C@H]1CN(C(=O)COCc2ccccc2)C[C@]1(O)C1CC1 710031333 JWGZRYBQVVDBEA-SUMWQHHRSA-N 289.375 1.823 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CCCC[C@H]1CN 236824980 VSTUWQYRYRQWTI-ZDUSSCGKSA-N 278.400 1.736 0 50 CDAA C[C@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@H](C)C(=O)O 133068244 XVDQADRMVGUWEZ-QWRGUYRKSA-N 287.319 1.711 0 50 CDAA C[C@H]1C[C@@H](C(=O)N2CC3(CNC(=O)O3)C2)CC(C)(C)C1 496994614 GQYZRCPDHDPHMR-WDEREUQCSA-N 280.368 1.770 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cnn(C)c1 267289053 BQCWWICBNIVXMS-CHWSQXEVSA-N 280.372 1.280 0 50 CDAA Cn1nncc1NC(=O)[C@@H]1C[C@]1(C)c1ccccc1 905124644 UINDFCSNKOVBGX-SMDDNHRTSA-N 256.309 1.731 0 50 CDAA Cn1nccc1[C@H]1CCCN1C(=O)[C@@H]1CSCCS1 928371409 DJPRGKYBGJQTGZ-NEPJUHHUSA-N 297.449 1.932 0 50 CDAA CC(C)CNC(=N)NCCNC(=O)c1ccc(F)cc1 848995786 QQVVOKBTNPUMKZ-UHFFFAOYSA-N 280.347 1.325 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCOCC2 128613719 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MRZAASNXJCBSDF-UHFFFAOYSA-N 262.361 1.325 0 50 CDAA C[C@H](O)C(F)(F)C(=O)N[C@@](C)(C(=O)O)c1ccccc1 2325796117 USGIZPNAXKQBKT-QPUJVOFHSA-N 287.262 1.119 0 50 CDAA Cc1cccn2c(NC(=O)[C@H]3C4CCN3CC4)cnc12 2325811311 OHQOPBQHHICFSH-CYBMUJFWSA-N 270.336 1.675 0 50 CDAA NC1=NC(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S1 169843 FMYLMGMUSZSSGT-MRVPVSSYSA-N 283.740 1.625 0 50 CDAA CCCC1=NN(C(=O)OC)[C@@](O)(C(F)(F)F)C1 248782 DKLZXFUOYUQEQJ-QMMMGPOBSA-N 254.208 1.866 0 50 CDAA CCOC(=O)N1CCN(C(=O)COc2ccccc2)CC1 318521 WXUDFHFVAHSFFS-UHFFFAOYSA-N 292.335 1.366 0 50 CDAA COC(=O)[C@@H]1[C@@H](C(C)C)N(c2ccccc2)O[C@@]1(C)O 1198564 AKRXFMFKOIECJQ-GZBFAFLISA-N 279.336 1.961 0 50 CDAA O=C(O)CCCCCNC(=O)c1ccccc1O 2116043 PBQUGICHNLXXKT-UHFFFAOYSA-N 251.282 1.767 0 50 CDAA biogenic CN(C)C(=O)c1ccc(-c2ccc(-c3n[nH]c(=N)[nH]3)o2)cc1 2356136345 QRHSPNCYFZQCGB-UHFFFAOYSA-N 297.318 1.846 0 50 CDAA O=C1NC[C@H]2CN(C(=O)CCCOc3ccccc3)C[C@@H]12 2356168471 FGTWYTZZFLVUQK-GXTWGEPZSA-N 288.347 1.050 0 50 CDAA O=S1(=O)CC[C@@H](n2nnnc2-c2ccc(Cl)cc2)C1 4333049 XEUZPESYQHMTFX-SNVBAGLBSA-N 298.755 1.353 0 50 CDAA O=C(C[C@@H]1C=CCC1)OCCCCN1CCOCC1 225525534 QVSMRINKIXANNU-CQSZACIVSA-N 267.369 1.998 0 50 CDAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 59739867 CIIKZYBQADSDIN-STQMWFEESA-N 296.411 1.566 0 50 CDAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2Cn2cccn2)cn1 248140001 PXAHWWVGYOYUMU-SOUVJXGZSA-N 299.378 1.411 0 50 CDAA CCCc1ccc(CN2CCN(C)[C@H](C(=O)O)C2)o1 67490421 TWQPYKBHWZLQLT-ZDUSSCGKSA-N 266.341 1.433 0 50 CDAA CS[C@H](C)CNC(=O)C[C@H](C)[C@@H]1CCCNC1 136172676 ODEQEDMBMIFSCU-QJPTWQEYSA-N 258.431 1.880 0 50 CDAA NC[C@@H]1Cc2cccc(-c3n[nH]c(=O)c4ccccc34)c2O1 67542293 JQHFYEDOIHQOCF-NSHDSACASA-N 293.326 1.852 0 50 CDAA Cc1ccccc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 20418535 GQBVROIEMFKOOP-INIZCTEOSA-N 288.391 1.818 0 50 CDAA CCc1cnccc1-c1noc([C@@]2(C)CNC(=O)C2)n1 350216668 SDLONCHXTKNEKH-CQSZACIVSA-N 272.308 1.472 0 50 CDAA Cc1csc(CN(C)c2nc(N)c3cnn(C)c3n2)n1 302898444 RUWQOIWRGHFYGB-UHFFFAOYSA-N 289.368 1.347 0 50 CDAA CN1CCN(C)C2(CCN(c3ccc(Cl)cn3)CC2)C1 67894741 JWHSZXBDTUMAFN-UHFFFAOYSA-N 294.830 1.951 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2ccncc2Cl)[C@H]2CCO[C@H]21 1074560123 OFWDXLSZMNBRRF-RSLMWUCJSA-N 296.754 1.515 0 50 CDAA CCN(CC1CCOCC1)C(=O)CN1CCCCCC1=O 67787028 JTNODDDEFWHXDC-UHFFFAOYSA-N 296.411 1.664 0 50 CDAA O=C(c1ccoc1)N1CCCO[C@H](Cn2cccn2)C1 215578314 OQKOKFAHJUHANA-ZDUSSCGKSA-N 275.308 1.407 0 50 CDAA Cc1cnc(CNC(=O)c2cccc3ccnn23)cn1 72159155 QWWJRTJULUNPTH-UHFFFAOYSA-N 267.292 1.363 0 50 CDAA COc1cccc(OC)c1OC[C@H]1CNC(=O)O1 71772275 TWWPOSGEDWDEPU-MRVPVSSYSA-N 253.254 1.191 0 50 CDAA CC[C@@H](C)OCC(=O)N1CCC(CCC(=O)OC)CC1 120407685 GJEYNVBVNAJYHH-GFCCVEGCSA-N 285.384 1.993 0 50 CDAA COCCOCCNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 230102952 AICOPTFZTWMPKN-MELADBBJSA-N 284.400 1.870 0 50 CDAA C[C@H](C(=O)N1C[C@@H](CO)c2ccccc21)c1cncnc1 329308049 ZLUUZHOIARDCAJ-AAEUAGOBSA-N 283.331 1.703 0 50 CDAA C[C@H]1OCC[C@H]1S(=O)(=O)Cc1ncc(C2CC2)o1 328812201 BIVKOVYLRHXQMZ-LDYMZIIASA-N 271.338 1.644 0 50 CDAA C[C@H](Cc1cnccn1)NC(=O)c1ccc(F)c(O)c1 215349729 RQHDWICTRIQELG-SECBINFHSA-N 275.283 1.682 0 50 CDAA CNc1nc(C(=O)N[C@H](C)Cc2cnccn2)cs1 215004339 YXIKZKNZSHLPFY-MRVPVSSYSA-N 277.353 1.336 0 50 CDAA c1nc(N2CC[C@H](n3cncn3)C2)c2cc[nH]c2n1 375321690 XAFNVRMYELKWLB-VIFPVBQESA-N 255.285 1.001 0 50 CDAA C[C@H](O)c1ncc(CN[C@@H](CO)Cc2ccccc2)s1 253427599 GGKGJNKEMWJMGD-WCQYABFASA-N 292.404 1.890 0 50 CDAA CC[C@H](C)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21 253415657 WRUQIZGODQCBFJ-KXEXLPOGSA-N 251.370 1.093 0 50 CDAA O=C(c1cccnc1S)N1CCO[C@@H]([C@@H]2CCCO2)C1 151821828 IUCLYVJDQGJEFL-NWDGAFQWSA-N 294.376 1.390 0 50 CDAA NC1(COc2ccc(Br)cc2)COC1 71654932 NQNWWCMNLZJDTN-UHFFFAOYSA-N 258.115 1.556 0 50 CDAA Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CCCNC3)C2)no1 158643480 YNJPHMDIKOKMNE-OLZOCXBDSA-N 292.383 1.159 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)Cc1cccc(O)c1 219341539 IWJIPIBJVVVWTI-SNVBAGLBSA-N 274.324 1.424 0 50 CDAA COc1ccccc1[C@@H](CN)N1CC[C@H](C(=O)O)C1 35622859 DMSZWLDMGGTLDP-CMPLNLGQSA-N 264.325 1.102 0 50 CDAA Cc1cnc(CNC(=O)c2cccc([C@H]3CCNC3)c2)cn1 72165881 QHLUXLJRDVEHRL-HNNXBMFYSA-N 296.374 1.792 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC(CC(=O)O)CC2)[nH]1 34927265 DQHZMKZJEDRFKR-UHFFFAOYSA-N 264.325 1.958 0 50 CDAA Cc1cc(N)n(CC(=O)N2CCCC[C@@H]2c2ccccn2)n1 216361707 NWNLBTSNONHEJJ-CQSZACIVSA-N 299.378 1.923 0 50 CDAA Cc1ccncc1N1CCN([C@@H]2CCCCNC2=O)CC1 374159021 DQYKZZBIZBAHLT-CQSZACIVSA-N 288.395 1.181 0 50 CDAA CC(C)OCC(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 158014718 DAIMFSBZQZQNNR-JTQLQIEISA-N 283.246 1.277 0 50 CDAA O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1c[nH]nn1 72154085 LRLLYMOGTZTWGM-TZMCWYRMSA-N 286.335 1.672 0 50 CDAA Cc1cc(C[C@H](C)N[C@H]2CCNCC[C@H]2C)n[nH]1 333347046 ZNFTZGPOEKWVHY-SUNKGSAMSA-N 250.390 1.627 0 50 CDAA Cc1nc(C2CCC2)nn1Cc1nnnn1C(C)(C)C 333510920 JCVAOZSUUOVUPL-UHFFFAOYSA-N 275.360 1.644 0 50 CDAA Cc1c[nH]nc1CN1C[C@H](C)NC(=O)c2ccccc21 378128299 NUHRSGKGUILFLD-NSHDSACASA-N 270.336 1.857 0 50 CDAA CC(C)OCCCn1ccnc1-c1cc2n(n1)CCNC2 72436324 TVLGJUQUKHWTNE-UHFFFAOYSA-N 289.383 1.665 0 50 CDAA CC(=O)N1CCN(C(=O)Cn2ccc3ccccc32)[C@@H](C)C1 336310337 FLOKCEFOICSPJM-ZDUSSCGKSA-N 299.374 1.721 0 50 CDAA CCc1ncc(CNC(=O)C23CCCN2CCC3)o1 333954428 FIIXNGIBMMLVHO-UHFFFAOYSA-N 263.341 1.482 0 50 CDAA O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(=O)[nH]1 216195396 HIXLOIYNMPUUQR-CYBMUJFWSA-N 298.298 1.027 0 50 CDAA CC(C)S(=O)(=O)CCC[S@](=O)C1CCCC1 129233651 PBFLFBFZEBFTME-OAHLLOKOSA-N 266.428 1.891 0 50 CDAA CCn1ccnc1CNC(=O)N1CC[C@](C)(F)C1 334519469 RGDZUSLDSGYZAB-LBPRGKRZSA-N 254.309 1.547 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@H]1CC(=O)O 129389807 IWCVKAJXMFNXAI-NWDGAFQWSA-N 293.319 1.156 0 50 CDAA COC[C@H]1CN(Cc2cnc3cnccn23)CC(C)(C)O1 284530356 KZCPBTULVUPFQP-CYBMUJFWSA-N 290.367 1.355 0 50 CDAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)[C@H]1CC12CC2 263223242 PMHZEXHHXOUKIJ-NWDGAFQWSA-N 277.295 1.910 0 50 CDAA C[C@H](C(=O)N1CCN(C)C[C@H]1c1ccccc1)n1ccnc1 242155930 WUKBSKFTDHRESL-ZBFHGGJFSA-N 298.390 1.959 0 50 CDAA C[C@H](Cn1cccn1)NC(=O)CN(C)C1CCCC1 222861906 VYBPLEKNBKGRDX-GFCCVEGCSA-N 264.373 1.262 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C(=O)O 221127291 BANLPUBDXKFACM-RQJHMYQMSA-N 299.245 1.638 0 50 CDAA CCN1CCN(C(=O)Nc2ccc(Cl)nc2)CC1 49200660 YVGMDFNRHUGNTM-UHFFFAOYSA-N 268.748 1.904 0 50 CDAA O=C(c1cccc2[nH]c(=O)oc12)N1CCOCC(F)(F)C1 288462005 DWWLUGUZUOWEKM-UHFFFAOYSA-N 298.245 1.229 0 50 CDAA CC(C)Cn1cncc1CNC(=O)Cc1ccccn1 223582994 HKFHPHJCTVKYGC-UHFFFAOYSA-N 272.352 1.793 0 50 CDAA Cc1cnc(C(=O)N2CCCN(CC(C)C)CC2)[nH]1 221346069 NSKNBOCSFXVHGL-UHFFFAOYSA-N 264.373 1.522 0 50 CDAA CC(=O)N1CCC[C@H](C(=O)Nc2cc(C3CC3)n(C)n2)C1 290970121 QSEMHLCCXFVDLB-LBPRGKRZSA-N 290.367 1.495 0 50 CDAA NC[C@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 178536000 VBHJSRVSXRCKKJ-GFCCVEGCSA-N 287.363 1.234 0 50 CDAA CN1CC[C@H](CN(C)C(=O)Cc2ccsc2)C1 223888799 CFXFKFCALAJIPC-LBPRGKRZSA-N 252.383 1.701 0 50 CDAA CC(C)c1cc(C(=O)NCCSc2ncn[nH]2)n(C)n1 82096615 YPVMKXWITMQLRM-UHFFFAOYSA-N 294.384 1.184 0 50 CDAA Cc1ccc(C(=O)NCCCc2ccccn2)c(=O)n1C 426668171 AGUMJKFCMSFULK-UHFFFAOYSA-N 285.347 1.451 0 50 CDAA Cn1cc(Br)c2cnc(C(=O)O)nc21 238540577 KWIUHNYSXDWPMC-UHFFFAOYSA-N 256.059 1.429 0 50 CDAA O=C(c1ccc([C@H]2CCCNC2)cc1)N1CCOCC1 95353495 JZYYBNFHEBQXKX-HNNXBMFYSA-N 274.364 1.626 0 50 CDAA Cc1c(CNC(=O)[C@@H]2COc3ccccc3C2)cnn1C 95519202 YBINQZPLQUZQTD-ZDUSSCGKSA-N 285.347 1.596 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCc1nccn1C(C)C 426535224 SITBRBUYHBCUIR-LLVKDONJSA-N 275.356 1.846 0 50 CDAA COc1ccccc1NC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239025617 BWUUDOLJYRIBIG-XZMAXGJCSA-N 287.315 1.831 0 50 CDAA CN(C)c1ccc(CN2CC[C@]3(CCCNC3=O)C2)cn1 92019761 PCMNPOGHGDRWGE-MRXNPFEDSA-N 288.395 1.250 0 50 CDAA Cn1nc(C(C)(C)C)cc1C(=O)NCCCCC(=O)O 237667674 CKJSCVLNQZDXRT-UHFFFAOYSA-N 281.356 1.702 0 50 CDAA Cc1nc(C2(Cn3ccnc3)CC2)n(CCc2cnc[nH]2)n1 97425666 NTHNQMVMMBWRNC-UHFFFAOYSA-N 297.366 1.481 0 50 CDAA CNc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2C(C)C)ccn1 97681872 JHVDCKPRDXMMHW-ZDUSSCGKSA-N 290.367 1.062 0 50 CDAA O=C(N[C@@H]1CN[C@H](C(=O)O)C1)c1cc2c(s1)CCCC2 95499858 WUIBXUMJFVFGNW-UWVGGRQHSA-N 294.376 1.172 0 50 CDAA CC(C)c1cc(N2CC[C@@]3(CN(C)C(=O)O3)C2)nc(N)n1 95360443 UDFAFMOZNJPAMQ-CQSZACIVSA-N 291.355 1.213 0 50 CDAA O=C(O)[C@@H](Cc1ccco1)n1cc(-c2nccs2)nn1 95359736 FDAIICHRIWLFAP-SNVBAGLBSA-N 290.304 1.863 0 50 CDAA COc1cnc(CN(Cc2noc(C)n2)C(C)C)cc1O 244882528 XTNXZLNXRVVBIE-UHFFFAOYSA-N 292.339 1.898 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H]5[C@H](O[C@]2(C)[C@H]53)[C@H]4O)c1 244673806 HVYIZCQICMAECY-WWSZPUHDSA-N 285.343 1.700 0 50 CDAA O=C([C@H]1CC[C@@H](O)CC1)N1CC(Oc2ccc(F)cc2)C1 244894056 YZFNSTQTSQKHLH-BJHJDKERSA-N 293.338 1.966 0 50 CDAA Cc1cc(NC(=O)N[C@H](CO)C(C)(C)C)ccn1 183545664 CBZOTUOVJMJOGL-LLVKDONJSA-N 251.330 1.919 0 50 CDAA CC(C)C[C@@H](NC(=O)N1CC(O)C1)c1cccnc1 534587286 PMMXXMKUGBYYSI-CYBMUJFWSA-N 263.341 1.555 0 50 CDAA Cc1cnn([C@H](C)CNC(=O)CCCc2cn[nH]c2)c1 534588382 PJBZZDITSWRRJO-GFCCVEGCSA-N 275.356 1.615 0 50 CDAA CCn1ncnc1[C@H](NC(=O)CSC)C1CC1 299781870 WMNVDTMJPVPMOI-SNVBAGLBSA-N 254.359 1.228 0 50 CDAA CC[C@@H](C(=O)N(C)Cc1cc(C)no1)N(C)CC 822541618 LTLORLRSJXGAOK-LBPRGKRZSA-N 253.346 1.672 0 50 CDAA CCCS(=O)(=O)NCC1(C(F)(F)F)CCNCC1 725264720 MZLGHSRIXFSMCH-UHFFFAOYSA-N 288.335 1.248 0 50 CDAA COCC1(CNc2ncc(F)c(OC)n2)CCC1 824347211 RPPGZHPWZJEXEJ-UHFFFAOYSA-N 255.293 1.853 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)[C@H](C)CN1CCCC1 827627144 GHRXGQKWDBXGLS-CQSZACIVSA-N 290.411 1.072 0 50 CDAA Cc1cc(C(=O)NC[C@H](C(C)C)N2CCCC2)c(O)cn1 584891271 MRJUCFPQNHBVLH-CQSZACIVSA-N 291.395 1.946 0 50 CDAA CSCC(=O)NC[C@@H]1CC(=O)N(C2CCCC2)C1 584900616 LQUGHYHZCJHSNB-JTQLQIEISA-N 270.398 1.257 0 50 CDAA Cc1nccn1C[C@H](C)NCc1cccc(CO)c1 828827575 GJTVCIWCBGZKFV-LBPRGKRZSA-N 259.353 1.862 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2cn(C)c(C)cc2=O)C1 584893226 QTCMUMFINLVANO-ZDUSSCGKSA-N 292.379 1.582 0 50 CDAA COc1ccccc1CC(=O)N1CC[C@@H]2NCCC[C@H]2C1 1076109058 KFPGFWGFSNCRNC-GJZGRUSLSA-N 288.391 1.838 0 50 CDAA CCc1nccn1CCCn1cnc2cccnc2c1=O 584897592 PVNANJYTRRFGMV-UHFFFAOYSA-N 283.335 1.641 0 50 CDAA CC(C)c1noc([C@H](C)NS(=O)(=O)N2CCCC2)n1 670460368 QICHBQKPDFNIAS-VIFPVBQESA-N 288.373 1.184 0 50 CDAA CCCCC[C@H](C)NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239175799 QQPSTRPSJRTBSS-CLPYTZEMSA-N 281.352 1.726 0 50 CDAA COC(=O)c1cc2n(n1)CCN2C(=O)OC(C)(C)C 95803066 LGPJXYSOSAXTID-UHFFFAOYSA-N 267.285 1.425 0 50 CDAA in-vitro O=C(NCc1coc(-c2ccccc2)n1)[C@H]1C[C@H]1C(=O)O 268881631 DOJZNHMADVCJBQ-NWDGAFQWSA-N 286.287 1.679 0 50 CDAA C/C(=C\C(=O)N1CCOC[C@@H]1C(=O)O)c1cccc(F)c1 268982485 NWCHWDDZHKHTCD-UTSBKAFOSA-N 293.294 1.541 0 50 CDAA CC1(S(=O)(=O)NC(=O)[C@H]2CCCC(F)(F)C2)CC1 408346088 OVBXZNVIWGWSHN-QMMMGPOBSA-N 281.324 1.810 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)Nc1cccc(C)n1 275071414 WOHRGZMZHMAHAC-GFCCVEGCSA-N 262.357 1.996 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1nc2ccccn2n1 277718314 SWGBGLKUWIVIFK-WDEREUQCSA-N 274.324 1.873 0 50 CDAA C[C@@H]1OCC[C@H]1Nc1cccnc1N1CCC(O)CC1 170067649 GPRYSGYPQHZGLJ-WCQYABFASA-N 277.368 1.632 0 50 CDAA Cc1ccc2ncnc(N[C@H]3CC(=O)N(C)C3=O)c2c1 170083729 LDPIKYFVNNYDDC-NSHDSACASA-N 270.292 1.107 0 50 CDAA Cc1cccc(N2C(=O)[C@H]3C[C@H](C)CCN3C2=O)n1 170613912 OJBUPUIBZFZGOP-MWLCHTKSSA-N 259.309 1.957 0 50 CDAA Cc1occc1C(=O)NCCn1c(C)nnc1S 170641418 RNLJMRBOYMFIPG-UHFFFAOYSA-N 266.326 1.207 0 50 CDAA O[C@@]1(Cn2ccnn2)CCN(Cc2nc3ccccc3o2)C1 671554900 XYFMJMVGKNHWHE-HNNXBMFYSA-N 299.334 1.056 0 50 CDAA CC(C)Cn1ccnc1CNC(=O)[C@H]1CCCO[C@@H]1C 188055708 MHIWMVJIHOLFIR-OLZOCXBDSA-N 279.384 1.970 0 50 CDAA CCc1nocc1CN1CCC[C@@H](N2CCCC2=O)C1 582502401 UKJJJRDJHJBQOA-CYBMUJFWSA-N 277.368 1.824 0 50 CDAA Cn1cnc(CCCNC(=O)Cc2ccc(Cl)cc2)n1 585089667 YQVNUGQKOMACTH-UHFFFAOYSA-N 292.770 1.760 0 50 CDAA c1cn([C@H]2CCN(CCO[C@H]3CCCCO3)C2)nn1 585116405 UMVUIHPKVSJAKZ-STQMWFEESA-N 266.345 1.068 0 50 CDAA CCSCCSCC(=O)N=[S@@](C)(=O)N(C)C 585118960 KKNWADOGPBTNKT-MRXNPFEDSA-N 284.472 1.574 0 50 CDAA CCOC(=O)c1cnc(NCc2nocc2C)nc1C 708233097 ANXUPVIJMDJHKE-UHFFFAOYSA-N 276.296 1.870 0 50 CDAA Cc1ncc(C(=O)NC[C@H](CC2CC2)C(=O)O)c(C)n1 652098452 DTHBZSGOUWLHOD-NSHDSACASA-N 277.324 1.324 0 50 CDAA O=C1CC[C@@H](C(=O)N2Cc3cc(F)c(F)cc3C2)N1 655316540 SISKDMHAWOWRTN-NSHDSACASA-N 266.247 1.086 0 50 CDAA CC1(C)CCC[C@H](NC2CCN(S(C)(=O)=O)CC2)C1 67846905 QUWBTSVIOZKVMZ-ZDUSSCGKSA-N 288.457 1.969 0 50 CDAA CC(C)(C)[C@H](CN)NC(=O)c1ccc(C(=O)O)cc1 572165447 SWGYVDFCHBGLTM-NSHDSACASA-N 264.325 1.488 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1n1cc(C(=O)O)cn1 757122193 CENBOCXXEKDEFW-ZJUUUORDSA-N 297.311 1.046 0 50 CDAA C[C@@H](NC(=O)NCc1ccon1)[C@H]1CCCCO1 1615057147 YIYKTIDXVVCPCS-MWLCHTKSSA-N 253.302 1.431 0 50 CDAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cn(C2CC2)nn1 1616043211 SYTUJDXYGWXHQB-NSHDSACASA-N 286.339 1.154 0 50 CDAA O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOCC1 619390 ZZIPSNQSMMHFIR-UHFFFAOYSA-N 293.706 1.919 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N[C@@H]1COCC[C@H]1O 219749501 WUQVMOAAKPLZGJ-VXGBXAGGSA-N 269.728 1.528 0 50 CDAA OC1CCN(C(=S)Nc2ccc(F)cc2)CC1 540034 KWDCFIJLUVMCMR-UHFFFAOYSA-N 254.330 1.979 0 50 CDAA O=C(C1CCC1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529162058 SVRHVTRIOBXHIA-ZIAGYGMSSA-N 260.337 1.244 0 50 CDAA CN(Cc1nccs1)c1ncnc(N)c1Cl 225480399 ZPRJYOUMAIPENC-UHFFFAOYSA-N 255.734 1.805 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cnc(C)cn3)C[C@@H]21 1704343367 BMKQUDIKWVJIAY-DVOMOZLQSA-N 289.379 1.798 0 50 CDAA CC(=O)CC1(C(=O)O)CN(C(=O)OC(C)(C)C)C1 259466129 RCMPWLCOIQSOIV-UHFFFAOYSA-N 257.286 1.287 0 50 CDAA COc1ccccc1CCN(C)C(=O)[C@H]1CSCN1 158786545 UIBLNHOONIZUAC-GFCCVEGCSA-N 280.393 1.359 0 50 CDAA CC(=O)N1CCN(c2ccc(Br)cn2)CC1 32129657 QHIUYPWBDOIIAF-UHFFFAOYSA-N 284.157 1.513 0 50 CDAA in-vitro O=c1c(Br)ccnn1-c1cccnc1 1565505269 IFHXDGZUKJYOFW-UHFFFAOYSA-N 252.071 1.390 0 50 CDAA O[C@H](COCc1ccccc1F)CN1CCC[C@@H](O)C1 229106572 GWXUYWSBRAAXDS-KGLIPLIRSA-N 283.343 1.160 0 50 CDAA CC(C)N1C[C@@H](CN(C)CCC(C)(C)O)CCC1=O 1775981318 KAASIHJSEZEJCZ-CYBMUJFWSA-N 270.417 1.726 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)c2csc(C3CC3)n2)CCO1 124743792 JAYCFDBIMMTOSI-VIFPVBQESA-N 296.348 1.336 0 50 CDAA 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CDAA Cc1ccc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)cc1C 1857738845 BAUUPKJMTSNZJC-IMJJTQAJSA-N 288.391 1.895 0 50 CDAA O=C(O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 264377 UCJZOPGTBSDHOE-NWDGAFQWSA-N 289.287 1.990 0 50 CDAA CCC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1cccnc1 119824324 IKRLKGGGTDEMET-CQSZACIVSA-N 289.379 1.831 0 50 CDAA CCn1ncnc1CN1CCC[C@@H]1c1ccc(O)nn1 528786665 HBQHKAIBHDNDIO-LLVKDONJSA-N 274.328 1.131 0 50 CDAA CCc1nc(C2CCN(C(=O)Cc3ccon3)CC2)n[nH]1 330168025 ZPKUYQQHHPDTCU-UHFFFAOYSA-N 289.339 1.304 0 50 CDAA CN(C(=O)c1ncc2c(F)cccn12)[C@@H]1CCCNCC1 638193647 VSJLNIIJTCJGDY-LLVKDONJSA-N 290.342 1.688 0 50 CDAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(=O)n(C)n1 242140871 WQAQNEQIXZSJGZ-OUAUKWLOSA-N 263.341 1.335 0 50 CDAA CC(=O)NC1CN(C(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)C1 248881458 WYUYXHIPBDCAHQ-BZUAXINKSA-N 299.374 1.245 0 50 CDAA CCCc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 19338644 FCQAVEZABJZXRE-MRXNPFEDSA-N 292.423 1.626 0 50 CDAA O=C(CN1CC[C@]2(C1)C(=O)Nc1ccccc12)NCC1CC1 375317683 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284.363 1.902 0 50 CDAA Cc1cc(F)ccc1NC(=O)CN[C@H](C)Cn1ccnc1 67818672 PTNXDMAQRXCVMG-GFCCVEGCSA-N 290.342 1.947 0 50 CDAA C[C@@H](Cc1ccccc1F)NN1CCN(C)CC1 23280924 YLZJOSVFXYQDAL-LBPRGKRZSA-N 251.349 1.509 0 50 CDAA NS(=O)(=O)c1ccccc1-c1cccc(C(=O)O)c1 65336929 GHTXHTSFJAZACO-UHFFFAOYSA-N 277.301 1.699 0 50 CDAA CCOC(=O)N1CCC(N[C@@H](C)c2ncnn2CC)CC1 65405644 FXMFTDAQOPUMIF-NSHDSACASA-N 295.387 1.570 0 50 CDAA CCn1cnnc1CCNC(=O)C1CCN(C(C)C)CC1 65397832 ADTMJZJKHRYFRF-UHFFFAOYSA-N 293.415 1.077 0 50 CDAA CCOCCN1CCN(Cc2nnc(C3CC3)o2)C[C@H]1C 252474354 BOJHCSMPGNTRIW-GFCCVEGCSA-N 294.399 1.490 0 50 CDAA CC(C)[C@H]1CN(C)CCN1C(=O)NO[C@H]1CCCCO1 252514922 FCANMRQJAYKPBQ-OLZOCXBDSA-N 285.388 1.426 0 50 CDAA CC1=NN(C(=O)c2ccncc2)[C@@](O)(c2cccnc2)C1 77486 IFZZGQGFJBBMPL-HNNXBMFYSA-N 282.303 1.544 0 50 CDAA Cc1nc(CCCNC(=O)[C@@H]2COCCO2)sc1C 67855994 POLGYNSUUFKVSW-NSHDSACASA-N 284.381 1.224 0 50 CDAA Cc1nc2cc(CNC(=O)[C@H]3CCCO3)ccc2n1C 74998942 GDZSKELBEQBZND-CQSZACIVSA-N 273.336 1.677 0 50 CDAA CCCn1ccnc1-c1nccn1CCn1cnnc1 72436523 UTODCXOXYJKOME-UHFFFAOYSA-N 271.328 1.448 0 50 CDAA N=C(O)NCCC(=O)N1CCC(CC(F)(F)F)CC1 330522348 IBYFFJQYHKBWKQ-UHFFFAOYSA-N 281.278 1.650 0 50 CDAA CC[C@H]1COCCN1C(=O)CCn1nnc2ccccc21 77323508 YWERHEUBGSCICS-LBPRGKRZSA-N 288.351 1.459 0 50 CDAA C[C@@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1c1ccccc1 154811323 IFTCLXMQGDLNJC-KWCYVHTRSA-N 262.353 1.618 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)N2CC[C@H](CN)C2)cc1 71416065 ILOYQKLXGMBJBM-CYBMUJFWSA-N 275.396 1.993 0 50 CDAA O[C@@H](CN1CCOCC1)c1ccc(-c2cncnc2)cc1 32576227 NOSUSJMJIWMLAK-INIZCTEOSA-N 285.347 1.509 0 50 CDAA O=C1CSc2ncnc(NC[C@H]3CCSC3)c2N1 366085901 OVCWLEMXCGHXNH-SSDOTTSWSA-N 282.394 1.686 0 50 CDAA COCC1(CNc2ncc(C)cn2)CCNCC1 261582825 RJGCVQDPMPXXKI-UHFFFAOYSA-N 250.346 1.213 0 50 CDAA CNC[C@@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 237179596 UMGCNSQVPQCNHH-NSHDSACASA-N 282.334 1.965 0 50 CDAA CC[C@@H](NC(=O)Cn1nc(C)cc1N)c1ccncc1 216465481 QFBQMOWOWAHFFT-GFCCVEGCSA-N 273.340 1.436 0 50 CDAA 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292.379 1.486 0 50 CDAA C[C@H](NC(=O)c1ccncc1Cl)[C@@H](C)N1CCOCC1 174294315 NYMMGMPQELDOBM-WDEREUQCSA-N 297.786 1.574 0 50 CDAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(F)cn1 285028524 ZLGIOUOXJRBXOP-QLFBSQMISA-N 280.343 1.583 0 50 CDAA O=C(CCc1cccc(Cl)c1)N[C@@H]1CCOC[C@H]1O 223417672 XYRQMVVJLHRONR-CHWSQXEVSA-N 283.755 1.539 0 50 CDAA O=C(NCCc1ccccc1F)N[C@H]1C[C@@H]2OCC[C@H]12 222449750 MRIMPNRBFHBXKD-XBFCOCLRSA-N 278.327 1.845 0 50 CDAA COc1ccc2c(C(=O)N3CC[C@@H](O)C3)cc(C)nc2c1 426628656 ALSUXDWMNNCVJS-LLVKDONJSA-N 286.331 1.759 0 50 CDAA CC(C)c1cc(C(=O)N(C2CC2)[C@@H](C)C(=O)O)cc(O)n1 263541560 DDBSVUNIUPVNBK-VIFPVBQESA-N 292.335 1.988 0 50 CDAA CNc1cc(N2CCC[C@@H]2CNc2nccnc2C)ncn1 290682715 SNTWEXCWFBLZBJ-GFCCVEGCSA-N 299.382 1.698 0 50 CDAA NC[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2)C1 178527668 WDKRYLYIPIKEDH-LLVKDONJSA-N 282.771 1.916 0 50 CDAA CC[C@H](NC(=O)Cn1ccnc1)c1nccs1 220332706 MXXZIZBIPPOTFC-VIFPVBQESA-N 250.327 1.607 0 50 CDAA CCCc1noc(CCCC(=O)N2CCN3CC[C@H]2C3)n1 615564357 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0 50 CDAA O=C(c1ccc2nc(O)[nH]c2n1)N1Cc2ccc(O)cc2C1 1167329111 JEGBQSVCUZMASZ-UHFFFAOYSA-N 296.286 1.525 0 50 CDAA Cc1nn(C)c(C)c1CN1CC(C)(C)NC(C)(C)C1 888095907 KKEGSMGKEGBIFZ-UHFFFAOYSA-N 264.417 1.999 0 50 CDAA Cc1cnn([C@@H]2[C@@H](NCc3cncn3C(C)C)C[C@H]2O)c1 888077035 DZTLIQPJHLKPBJ-RRFJBIMHSA-N 289.383 1.433 0 50 CDAA C[C@@H]1CCC[C@@H](NC(=O)Nc2cn(C)nc2C(N)=O)C1 888095811 WHVAGRVMHVHZJP-RKDXNWHRSA-N 279.344 1.219 0 50 CDAA NCc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)co1 1775962600 VBRPLDGYYRNXTF-ZIAGYGMSSA-N 271.320 1.093 0 50 CDAA O=C(N=c1ncnc2[nH][nH]cc1-2)c1ccc(F)cc1 1776004209 HZFLIHVJPYPULY-UHFFFAOYSA-N 257.228 1.118 0 50 CDAA CCO[C@@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 144141508 JAGGSNHPLQASJM-GFCCVEGCSA-N 264.325 1.026 0 50 CDAA O=C(O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)o1 271946687 XWLYUXLXLLHNGZ-IVZWLZJFSA-N 279.292 1.665 0 50 CDAA Cc1ncc(CN[C@H](CO)C2CCCCC2)n1C 568901578 BLURIRABJFUDTL-CQSZACIVSA-N 251.374 1.759 0 50 CDAA CCc1cnc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)o1 613589078 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IGYPCRLXNWFHTI-UHFFFAOYSA-N 299.338 1.139 0 50 CDAA CCc1n[nH]c(SCC(=O)NCC(C)(C)CN(C)C)n1 55327307 NKONBHITGKIFOP-UHFFFAOYSA-N 299.444 1.163 0 50 CDAA N[C@@H](Cc1ccc(Oc2ccccc2)nc1)C(=O)O 44284807 GZESALHEKQECEZ-LBPRGKRZSA-N 258.277 1.828 0 50 CDAA NCc1nc(Cc2ccccc2Br)no1 55334470 GQQMTTRDVSRYNN-UHFFFAOYSA-N 268.114 1.882 0 50 CDAA C[C@H](Cn1cccn1)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248085696 BGJZJDRRCQDOFD-RBSFLKMASA-N 290.411 1.604 0 50 CDAA COC(=O)[C@@H](O)CNC(=O)c1cc2cc(C)c(C)cc2o1 135092235 HLECAONFIONKRL-NSHDSACASA-N 291.303 1.313 0 50 CDAA O=C1c2cccnc2CN1Cc1n[nH]c2c1CCC2 67674763 ABKHLTVWOXIKNG-UHFFFAOYSA-N 254.293 1.449 0 50 CDAA CSC(C)(C)C[C@H](C)NCCS(=O)(=O)N(C)C 67642894 SNMYCPAFCLWRJH-JTQLQIEISA-N 282.475 1.388 0 50 CDAA CCc1oc(C(=O)N2C[C@H]2C(=O)O)cc1CN1CCCC1 63857466 FUUABLVKPRFOOQ-PIJUOJQZSA-N 292.335 1.347 0 50 CDAA COc1ccc(C(=O)N[C@@H]2CCOC2)c(OC)c1 179012560 AFFDNYZRPJTTDL-SECBINFHSA-N 251.282 1.223 0 50 CDAA COc1ccc(C[C@@H](C)N2CCN(C=O)CC2)cc1OC 23282288 RXLYWYRZRCTNCI-CYBMUJFWSA-N 292.379 1.409 0 50 CDAA CCN(Cc1cnn(CC)c1)C(=O)c1cnc(OC)nc1 20210412 IUVNFEPKGRWAPS-UHFFFAOYSA-N 289.339 1.364 0 50 CDAA COc1ccc2cc([C@@H]3NCCc4[nH]cnc43)c(O)nc2c1 65407827 ZUNCJYUYMOFLAU-AWEZNQCLSA-N 296.330 1.907 0 50 CDAA NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc3c2CCO3)C1 252497342 QEFIBVVOLDUABX-SNVBAGLBSA-N 289.335 1.351 0 50 CDAA CC(C)c1cc(C(=O)N2CCCN([C@H](C)CO)CC2)no1 252496343 PHBOYVBICTWMKM-GFCCVEGCSA-N 295.383 1.327 0 50 CDAA COc1ncc(Cl)c(NC[C@@H](CO)[C@@H]2CCOC2)n1 281010938 OVYHEQFKECNSQR-BDAKNGLRSA-N 287.747 1.196 0 50 CDAA CC[C@H](C(=O)N(C)c1cccnc1OC)N1CCCC1=O 331237345 HHYMJVBGEXOJQQ-LLVKDONJSA-N 291.351 1.454 0 50 CDAA CC(C)C(=O)N1CCC(CN[C@H](C)Cn2cncn2)CC1 65530636 JTSRCTYEBGSSPH-CYBMUJFWSA-N 293.415 1.151 0 50 CDAA COCc1c(C(=O)Nc2cnc3n2CCCC3)noc1C 67473165 IEFUNPTXUMXXGX-UHFFFAOYSA-N 290.323 1.915 0 50 CDAA O=C(O)[C@H]1CS[C@H](C(=O)O)CC(c2ccccc2)=N1 187360 CNFDHDGTMZDLAH-MNOVXSKESA-N 279.317 1.519 0 50 CDAA biogenic CC(C)n1cc(C(=O)N(C)C2CCS(=O)(=O)CC2)cn1 77484890 VOWGVEPHTPRGCG-UHFFFAOYSA-N 299.396 1.113 0 50 CDAA Nc1ncccc1CN1CCC[C@](O)(CN2CCCC2)C1 77406084 IOEMTTWALLKRJD-INIZCTEOSA-N 290.411 1.087 0 50 CDAA CC[C@@H](C)C(=O)N1CCn2nc(CCC(=O)O)cc2C1 72144046 ZQDPNONXQZLBQN-SNVBAGLBSA-N 279.340 1.289 0 50 CDAA CC(C)[C@H](C(=O)N=c1cc(C2CC2)[nH][nH]1)N1CCCC1=O 328923162 CWIYPBAABZNBEP-CQSZACIVSA-N 290.367 1.295 0 50 CDAA C[C@H]1C[C@H](Cn2nc(-c3cnn(C)c3)ccc2=O)CCO1 329772303 HHYSOHUODZIGRM-NWDGAFQWSA-N 288.351 1.459 0 50 CDAA CSc1sc2c(O)cc(=O)[nH]c2c1C(N)=O 36359880 SLAOETORVIZSAG-UHFFFAOYSA-N 256.308 1.116 0 50 CDAA Cc1cc(Cl)ccc1C(=O)NC[C@](C)(O)C(=O)O 235761130 FPWKRSXRQHHJCE-LBPRGKRZSA-N 271.700 1.214 0 50 CDAA O=C1NCCN1[C@@H]1CCCN(Cc2cnn3ccccc23)C1 362370284 XUTLBDGJTLZBPG-CQSZACIVSA-N 299.378 1.324 0 50 CDAA CCn1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c(C(C)C)n1 154263664 IAPJDDQLHWYALM-RYUDHWBXSA-N 278.400 1.849 0 50 CDAA CC(=O)/N=c1\sccn1CC(=O)c1cccs1 71771511 VHUVQKJDONXCTM-QXMHVHEDSA-N 266.347 1.941 0 50 CDAA CC(C)(C)n1cc(CN2CCO[C@H]3CCOC[C@@H]32)nn1 366495371 GFZWMVDRXRXQAM-STQMWFEESA-N 280.372 1.023 0 50 CDAA CC(C)n1ccc(=NC(=O)N[C@H](C)[C@H]2CCCCO2)[nH]1 333229877 GKPPJUOBJSOSOH-VXGBXAGGSA-N 280.372 1.965 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@@H](C(=O)O)C1 237033393 WCDIQKZCLYCYKZ-GFCCVEGCSA-N 277.320 1.561 0 50 CDAA Cc1nn(C)c2nc(-c3ccncc3)nc(NC[C@@H](C)O)c12 72456695 XXQWXFNVKAPFSR-SECBINFHSA-N 298.350 1.526 0 50 CDAA O[C@H]1CCCN(c2ccnc(-c3cccc4ccnn34)n2)C1 215900798 SXXMLLGNICFJGK-ZDUSSCGKSA-N 295.346 1.752 0 50 CDAA CO[C@@]1(CNC(=O)c2cc(C)n(C(C)C)n2)CCOC1 450634668 HGOVVJXNRQGYET-CQSZACIVSA-N 281.356 1.308 0 50 CDAA Cc1cnc(CNC(=O)CCCn2cncn2)c(C)c1O 219932061 OIRYJLYUDRUGEZ-UHFFFAOYSA-N 289.339 1.092 0 50 CDAA CCCN(C(=O)c1oc(C)nc1C)[C@@H]1CCNC1 132666955 AYWUMQHAWRDBCO-LLVKDONJSA-N 251.330 1.506 0 50 CDAA C[C@H](C(=O)Nc1cnn(C(C)(C)C(=O)O)c1)n1cccn1 262838307 SZZJDIXJJKHQRX-SECBINFHSA-N 291.311 1.099 0 50 CDAA C[C@@H](C(=O)O)C(=O)NCc1ccc(Cn2cccn2)cc1 263042469 CNHBNTXJUXBETB-LLVKDONJSA-N 287.319 1.268 0 50 CDAA CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N[C@@H]1C[C@@H](C)OC1=O 229829426 GKCAGQWZLZMQEY-YIYPIFLZSA-N 296.411 1.563 0 50 CDAA C[C@@H](NC(=O)N1CC(c2ccncc2)C1)c1cnn(C)c1 426746032 ANIINTXETSUQLJ-LLVKDONJSA-N 285.351 1.685 0 50 CDAA CCOc1ccc(C(=O)NCCc2nc(C3CC3)no2)o1 221197121 AZPQPDZRBLQQEJ-UHFFFAOYSA-N 291.307 1.911 0 50 CDAA CC(=O)c1[nH]c(C)c(C(=O)NCC[C@H]2CCOC2)c1C 223081448 FBYVLPYNJCKSBF-LBPRGKRZSA-N 278.352 1.991 0 50 CDAA N#Cc1ccc(CNC(=O)CCCn2cncn2)cc1 47828546 PZUQDQKTXRGJKC-UHFFFAOYSA-N 269.308 1.246 0 50 CDAA N[C@H]1CCCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 82133448 CZOYWJZDJOHKOA-LBPRGKRZSA-N 290.411 1.561 0 50 CDAA COC[C@H](O)CN(C)C(=O)c1ccc2c(c1)CCCO2 426549859 COVHILWKBSQMGI-CYBMUJFWSA-N 279.336 1.091 0 50 CDAA O=C(C[C@@H](n1cccn1)C(F)(F)F)N[C@@H]1CCC[C@H]1O 616199151 WXJKWPSNICFZBB-OPRDCNLKSA-N 291.273 1.406 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]1C(=O)O 178938718 IOKMCDSPMQISEP-RISCZKNCSA-N 288.347 1.513 0 50 CDAA CCCc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)no1 97814923 YRVCIPKRCWYRFB-ZFWWWQNUSA-N 285.347 1.982 0 50 CDAA COCC[C@@]1(C(=O)O)CCCN(Cc2c(C)noc2C)C1 91663636 WXTFFCIPTYUTRW-HNNXBMFYSA-N 296.367 1.995 0 50 CDAA C[C@@H]1CCCN(C(=O)COCc2ccccc2)[C@H]1CN 179224004 UHCUIRKGARCZSB-HIFRSBDPSA-N 276.380 1.789 0 50 CDAA Cc1cc(CN(C)Cc2c(C)nn(CCO)c2C)no1 92254081 BUZFEDUFZVVKTB-UHFFFAOYSA-N 278.356 1.421 0 50 CDAA C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CCN1C 237528427 MFMUPWBRPGZHPJ-BPUTZDHNSA-N 289.423 1.498 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 237404879 VLJOGGSTPRKVJY-FKULILBMSA-N 287.363 1.137 0 50 CDAA CCc1cnc(N2CCO[C@@H](CCOC)C2)nc1 95373206 RQJYBIUAQOPDCQ-LBPRGKRZSA-N 251.330 1.281 0 50 CDAA Cc1cc(F)cc(C(=O)N(CC(=O)O)C2CCOCC2)c1 237656639 HGWXCTWPGZUPRX-UHFFFAOYSA-N 295.310 1.840 0 50 CDAA C[C@H](C(=O)NC1CCCCC1)N(C)Cc1ncc[nH]1 244787609 QAGIBPFBSWVENL-LLVKDONJSA-N 264.373 1.679 0 50 CDAA COCCN(C)CC(=O)N(C)[C@H](C)Cc1cc(C)ccn1 244641265 GMLPLFFIDDIOIG-CQSZACIVSA-N 293.411 1.358 0 50 CDAA CN(CCc1ccccc1)c1cc([C@H]2C[C@@H](N)C2)nc(N)n1 244787557 PZIMXJJFQPQVDF-OKILXGFUSA-N 297.406 1.942 0 50 CDAA CC(C)(Cc1ccccc1)C(=O)N[C@H]1[C@@H]2CNC[C@@H]21 295215603 MCSYDHNNYDKUDS-WDNDVIMCSA-N 258.365 1.589 0 50 CDAA Cc1cccc(CCNC(=O)COC[C@H]2CCCCO2)n1 244659642 HGHPTNWGRJIMOY-OAHLLOKOSA-N 292.379 1.634 0 50 CDAA CN1CC[C@H](Nc2ccc3nncn3n2)[C@@H]1c1ccccc1 297398189 FOIPMNMDMZIAGT-BBRMVZONSA-N 294.362 1.982 0 50 CDAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@@H]([C@H]5[C@@H]2[C@]3(C)[C@]54C)[C@H]1C(=O)OC 253595377 CPWDDTDQGFHJFB-BFXCORFDSA-N 276.332 1.343 0 50 CDAA Cn1ccc(CC(=O)N2CCO[C@@](C)(c3ccccc3)C2)n1 183728826 VOOZMXKWFDVNPN-QGZVFWFLSA-N 299.374 1.737 0 50 CDAA COc1ccc([C@@H](NC(C)C)[C@H]2C[C@H](O)C2)cn1 253378484 GKGWFEKMJKYTPQ-YRGRVCCFSA-N 250.342 1.900 0 50 CDAA O=C(N[C@@H]1CC[S@](=O)C1)c1occc1Br 408309732 YWDAGDVYPVGSBI-BAHMLBHCSA-N 292.154 1.293 0 50 CDAA CCn1nc(C)cc1S(=O)(=O)N[C@@H](C)c1cccnc1 534589114 FVGCAUNSEIQPNN-NSHDSACASA-N 294.380 1.646 0 50 CDAA CCCN1CCCN(C(=O)C[C@H]2CCOC2)CC1 365470264 RAPRVWAJMRKPOB-CYBMUJFWSA-N 254.374 1.357 0 50 CDAA CC(C)(C)OC(=O)N1CCC(F)(F)C[C@H]1CN 118100126 YCUWLCXEBURJHQ-QMMMGPOBSA-N 250.289 1.980 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccnn1C 822182781 VPLDNQQGXKNQKI-QMMMGPOBSA-N 261.329 1.261 0 50 CDAA Cc1ncc([C@H](C)NC(=O)c2c(C(=O)O)cnn2C)s1 902306979 YEOMCAVWPPJMEF-LURJTMIESA-N 294.336 1.374 0 50 CDAA Cc1ccc(CNC(=O)c2nn(C)c3c2C[C@@H](O)CC3)o1 828635567 IWOCQTRWFDJSGS-JTQLQIEISA-N 289.335 1.101 0 50 CDAA CCCn1nccc1C(=O)NCC(C)(C)N1CCCC1 584896868 ZRWXMLYSGYOQMQ-UHFFFAOYSA-N 278.400 1.897 0 50 CDAA CN(CCCn1cccn1)CCC1(O)CCCC1 670434328 UNRLJWUJWAGADF-UHFFFAOYSA-N 251.374 1.900 0 50 CDAA CCOC1(CNC(=O)N[C@H]2CCn3ccnc32)CCCC1 1434807502 NEFUNQPGOYRWDJ-LBPRGKRZSA-N 292.383 1.976 0 50 CDAA O=C1CC[C@@H](NCCn2cccn2)CCN1CC1CC1 952977201 XHMXPQORKXIHBI-CQSZACIVSA-N 276.384 1.264 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1cccc2cccnc12 1565512087 WISAJOMBXKRNNZ-JSGCOSHPSA-N 295.342 1.785 0 50 CDAA CCN(CCN1C[C@@H]2CC[C@H]1C2)CCn1cccn1 1565530476 NJGARIIICZQUNI-CABCVRRESA-N 262.401 1.689 0 50 CDAA c1csc(-c2ncc(CN3CC[C@@H]4CNC[C@@H]43)cn2)c1 1565515579 RPKJTEAVQKVPAK-OLZOCXBDSA-N 286.404 1.999 0 50 CDAA Cc1cnccc1CNC(=O)[C@@H](O)CCc1ccccc1 275197006 GCDOTNDOIUBTJV-INIZCTEOSA-N 284.359 2.000 0 50 CDAA C[C@@H](C(=O)NS(=O)(=O)c1cccs1)C1CCC1 408498684 KTBKCMQVESMBCC-MRVPVSSYSA-N 273.379 1.989 0 50 CDAA COCCc1nnc(SCC2(COC)CCC2)n1N 408516952 IEJLIQBTPRPTBT-UHFFFAOYSA-N 286.401 1.090 0 50 CDAA Oc1nccnc1N1CCC[C@@H](NCc2cccnc2)C1 275707212 XYPWMDYVESKUDD-CYBMUJFWSA-N 285.351 1.336 0 50 CDAA C[C@](O)(CNC(=O)C1=COCCO1)C1CCCCC1 170090429 WPTDFOPYSJUOFN-AWEZNQCLSA-N 269.341 1.322 0 50 CDAA CC(C)(C)OC(=O)N1CCc2ncc(C=O)n2CC1 91303758 JILQEJQCJIJDDT-UHFFFAOYSA-N 265.313 1.489 0 50 CDAA in-vitro CN(C(=O)c1cc(O)nc2ncn(C)c12)c1ccccc1 581110050 KDAHOTJBRBCKEO-UHFFFAOYSA-N 282.303 1.951 0 50 CDAA COC[C@@H]1CCN1C(=O)Nc1cnc2c(c1)c(C)nn2C 644985660 VXIIVMUHAPXJEZ-NSHDSACASA-N 289.339 1.529 0 50 CDAA NS(=O)(=O)Cc1noc2cc(Br)sc12 197045664 UEHVQGYCPGGNDH-UHFFFAOYSA-N 297.155 1.440 0 50 CDAA CCN(C(=O)c1c(Cl)cnn1C)[C@H](C)C(=O)O 663123866 GHIFKKIWKSEDIV-ZCFIWIBFSA-N 259.693 1.009 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)[C@@H](C)N1C(=O)[C@H]1CCCO1 1614994304 DYNLWTFNXCNGCO-CHWFTXMASA-N 255.314 1.266 0 50 CDAA Nc1cccc(CNC(=O)C2(Nc3ccccc3)CC2)n1 1615058213 YKRZIVWNRVTCRP-UHFFFAOYSA-N 282.347 1.925 0 50 CDAA Cn1cnc(CNC(=O)c2ccc3c(c2)[C@@H](CN)CCC3)c1 1615552428 DWBTXHIOZGUWEW-CQSZACIVSA-N 298.390 1.729 0 50 CDAA Cc1c(NC(=O)[C@H]2NCCOc3ccccc32)cnn1C 1615615852 SHSXCMOCFOCHIT-AWEZNQCLSA-N 286.335 1.390 0 50 CDAA O=C(N[C@@H]1CCNC[C@H]1F)c1ccc(C(F)(F)F)cn1 1616038606 HSIBRACKRNNXBZ-RKDXNWHRSA-N 291.248 1.530 0 50 CDAA COc1cc(C(=O)N2CCOC[C@@H]2C2CC2)ccn1 1324869822 CZGWGYWZEVRPPF-GFCCVEGCSA-N 262.309 1.341 0 50 CDAA CC[C@@H](C(=O)Nc1cnn2c1NCCC2)n1cccn1 1506400903 GUMQHEOSPDRXTI-NSHDSACASA-N 274.328 1.485 0 50 CDAA Cc1cc(N)n(CC(=O)N(C)Cc2c(C)noc2C)n1 1506403944 XVJWQZJUHYAFEC-UHFFFAOYSA-N 277.328 1.037 0 50 CDAA CCC[C@@]1(CO)CN(C(=O)c2scnc2C)CC[C@@H]1O 1857717847 BHBVVHAMKBZUQR-FZMZJTMJSA-N 298.408 1.437 0 50 CDAA Cc1nc(C(=O)N(CCC(=O)O)C2CCOCC2)cs1 408519122 YOBLLECFKWGYJH-UHFFFAOYSA-N 298.364 1.547 0 50 CDAA CC(C)n1cc(NC(=O)CN(C)Cc2ccncc2)cn1 1529192150 PDEMRWSFTYVLIZ-UHFFFAOYSA-N 287.367 1.930 0 50 CDAA Cc1nncn1CCN(C)Cc1nc(-c2ccncc2)no1 1529189793 YNSDXYFOOBKUNV-UHFFFAOYSA-N 299.338 1.164 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1Cl 6658247 CXINCYRLVYRZCZ-SNVBAGLBSA-N 252.701 1.866 0 50 CDAA in-vitro O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccon1 1616068858 HMPTWTCNLMLAJX-DGCLKSJQSA-N 273.292 1.057 0 50 CDAA COC(=O)C[C@@H](c1c(O)n(C)c(C)cc1=O)C(C)C 1547206318 HBPZXWPYPPBNAC-SNVBAGLBSA-N 267.325 1.702 0 50 CDAA COC(=O)Cc1ccc(NC(=S)N2CCOCC2)cc1 477240 WRCUHMCHPPDUES-UHFFFAOYSA-N 294.376 1.431 0 50 CDAA OC[C@@H](O)C1CCN(C2Cc3ccccc3C2)CC1 1772701066 BIMFHRFUCBOOJG-MRXNPFEDSA-N 261.365 1.219 0 50 CDAA CN1CC[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1=O 1772807813 BDUZIYOJHDLMDZ-NEPJUHHUSA-N 282.347 1.544 0 50 CDAA COC[C@H](C)NCc1cc2cc(C)ccc2n(C)c1=O 12182249 XGNQLXVTWOKPAJ-LBPRGKRZSA-N 274.364 1.971 0 50 CDAA CCN1C(=O)C[C@H](C(N)=O)[C@H]1c1cccc(C)c1C 12404688 WTFFTTUGFLCAJL-GXTWGEPZSA-N 260.337 1.698 0 50 CDAA O=C1C[C@@H](N2CC2)C(=O)N1c1cccc(Cl)c1 19534872 KFRGYJUMBFZVCZ-SNVBAGLBSA-N 250.685 1.288 0 50 CDAA CC(=O)N1CCC(C(=O)N[C@H](C)C(C)(C)C)CC1 6725415 XSQAYGMRUCLSNW-SNVBAGLBSA-N 254.374 1.796 0 50 CDAA C[C@H]1CN(c2cncc(N)n2)CCN1c1ccc(F)cn1 1857672789 IFXZGBXGPNYFOS-JTQLQIEISA-N 288.330 1.308 0 50 CDAA Nc1cncc(N2CCN[C@H](c3ccccc3)C2)n1 1857668182 YEWYITPKDFFDDJ-LBPRGKRZSA-N 255.325 1.210 0 50 CDAA O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCn2nccc2C1 1875245657 KHFXERSJRHUZPF-LBPRGKRZSA-N 299.330 1.491 0 50 CDAA Cn1ncc2c(N3C[C@H]4C[C@H](O)CC[C@H]4C3)ccnc21 334121266 LLWNDTGHLUIADZ-QJPTWQEYSA-N 272.352 1.566 0 50 CDAA O=C(CC1CCOCC1)NCCc1ccc(C(=O)O)cc1 238075482 OBMFTGOTNWKZCJ-UHFFFAOYSA-N 291.347 1.860 0 50 CDAA COc1cc(CNC(=O)C[C@@H]2CCOC2)ccc1C(=O)O 338080872 FIABYDQFGSLNOF-NSHDSACASA-N 293.319 1.436 0 50 CDAA COC(=O)c1cccc(N(C)C[C@H]2CCC[C@H]2O)n1 769913802 RVVYDANLDDXJAO-ZYHUDNBSSA-N 264.325 1.465 0 50 CDAA CN(C[C@H]1CCC=CO1)[C@@H](C(N)=O)c1cccc(F)c1 252491009 LIDAXOLBLKUVLN-ZIAGYGMSSA-N 278.327 1.977 0 50 CDAA CC(C)(C)n1nnnc1CN1CCC[C@@H]1c1cn[nH]c1 585116265 OCGRICLRPAKXNO-LLVKDONJSA-N 275.360 1.488 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCc1cccc2c1OCC2 912833309 MOVYODUSUIZUJN-UHFFFAOYSA-N 288.347 1.272 0 50 CDAA C1CCc2oc(CN[C@@H]3CCNC34CCC4)nc2C1 903471462 JLPUIBONMLECAW-CYBMUJFWSA-N 261.369 1.928 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1C(=O)/C=C(\C)C1CC1 818384687 MTOSFLZKEABVET-SLZMIMFISA-N 280.368 1.096 0 50 CDAA Cc1nnsc1Cn1cnc2c(cnn2C2CC2)c1=O 919330225 DXFDSYWDFRKZMX-UHFFFAOYSA-N 288.336 1.136 0 50 CDAA O=S(=O)(CCC1CC1)N1CCC[C@H](n2ccnn2)CC1 828388566 IRCFMKMOOSLSRL-ZDUSSCGKSA-N 298.412 1.435 0 50 CDAA Cc1ncsc1CN1CCCC[C@H]1CS(N)(=O)=O 931231777 SYCIRFTZJMVVFF-JTQLQIEISA-N 289.426 1.095 0 50 CDAA CN(C(=O)Nc1noc2c1CCCC2)C1(CO)CCC1 934349345 MHKDVHIRQRCWAN-UHFFFAOYSA-N 279.340 1.932 0 50 CDAA Cc1cncc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c1 864279233 OXBLOTTZDSDUMG-ZDUSSCGKSA-N 292.335 1.247 0 50 CDAA CC(C)c1coc([C@@H]2CCCN2C(=O)C2=NNC(=O)C2)n1 1875297240 ICHUJMVIRPZJGI-NSHDSACASA-N 290.323 1.337 0 50 CDAA CN(C)c1nc(N2CC(CO)C2)c2ccccc2n1 1875368934 HMGXAPJIMDDPIQ-UHFFFAOYSA-N 258.325 1.124 0 50 CDAA C[C@@H]1NCCN(C(=O)C[C@@H](O)c2ccccc2)[C@@H]1C 888096874 UXQMATVNQFZIBY-OUCADQQQSA-N 262.353 1.319 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2ncccc2F)C1 888077585 KFBTWIBZTNSKBG-MWLCHTKSSA-N 262.288 1.910 0 50 CDAA CC(C)c1cc(C(=O)N2CCC(=O)N3CCC[C@@H]32)n(C)n1 888172081 DYIUCOZCMHCXOV-ZDUSSCGKSA-N 290.367 1.338 0 50 CDAA CCc1cc(C(=O)N2CCOC[C@@]2(C)C2CC2)no1 890594966 YRAVTSMRSCBLDQ-AWEZNQCLSA-N 264.325 1.878 0 50 CDAA Cc1cnc(NCCN2Cc3ccccc3OCC2=O)nc1 895449460 PVQXAWSQCGYOIB-UHFFFAOYSA-N 298.346 1.618 0 50 CDAA N[C@]12CCC[C@H]1CN(C(=O)c1nccc3cccnc13)C2 1775961427 ZDSAEKUJFRMDTD-LRDDRELGSA-N 282.347 1.583 0 50 CDAA CCc1nsc(N2CCCN([C@@H](CC)C(=O)O)CC2)n1 191438656 LNDCOMRLPNCQAI-JTQLQIEISA-N 298.412 1.476 0 50 CDAA CCC[C@@H](CNC(=O)c1ccc(F)c(O)c1)N(C)C 534577660 XFNMJIXETLUVFE-NSHDSACASA-N 268.332 1.991 0 50 CDAA CC(C)C[C@H](C(=O)O)N1CCN([C@@H]2CCC[C@H]2O)CC1 629484016 DYPVOHIGEDFXJI-MGPQQGTHSA-N 284.400 1.017 0 50 CDAA CN(C)C(=O)N1CCN([C@@H]2CCC(C)(C)C2)CC1 1258602170 IWQHEPJAIDFZHS-GFCCVEGCSA-N 253.390 1.864 0 50 CDAA C[C@@H](CN1CC[C@@](O)(c2cc[nH]n2)C1)CC(F)(F)F 2325772102 ZDANBXNUAHKNKZ-KOLCDFICSA-N 277.290 1.892 0 50 CDAA COCC1(C(=O)Nc2nc3ccc(F)cc3n2C)COC1 2325811926 RSOJLTUZJAOFIK-UHFFFAOYSA-N 293.298 1.314 0 50 CDAA O=C(Nc1cccc(CCO)c1)c1c[nH]c2ncnc(O)c12 2325864851 BGSAZQOUTVVLCQ-UHFFFAOYSA-N 298.302 1.451 0 50 CDAA CC(C)c1nn(C)cc1-c1cc(S(N)(=O)=O)ccc1N 863692979 WTHWSMLAXFWZRL-UHFFFAOYSA-N 294.380 1.440 0 50 CDAA Cc1nn(C)c(C)c1CN1CC[C@H](OC(F)F)C1 952962957 LZWLEEPXLZTNPR-JTQLQIEISA-N 259.300 1.850 0 50 CDAA NC(=O)N1CCC(CCCC2CCN(C(N)=O)CC2)CC1 56744 CCWJQXMSRPVJPF-UHFFFAOYSA-N 296.415 1.738 0 50 CDAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCc1ccncc1 214697 WHQJJCMFRKVKNY-NEPJUHHUSA-N 260.293 1.365 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 2576049 NQFMEKCHBQAPAY-KGOITJQVSA-N 285.299 1.920 0 50 CDAA CCOCCSc1nnc2nc(C)cc(C)n12 2871770 AXQWUUWSJHUBJM-UHFFFAOYSA-N 252.343 1.870 0 50 CDAA aggregator CCCNC(=O)c1sc(N)c(C(=O)OC)c1C 2880702 BXBMEMUCJVDNRO-UHFFFAOYSA-N 256.327 1.565 0 50 CDAA O=C(COc1ccccc1)NCC(=O)Nc1nccs1 2996331 LIWWSXGTCBNYTC-UHFFFAOYSA-N 291.332 1.277 0 50 CDAA CN1CCN(NC(=S)Nc2cc(F)cc(F)c2)CC1 4741408 OVILSVVUBZORGF-UHFFFAOYSA-N 286.351 1.414 0 50 CDAA O=C(O)/C=C\C(=O)Nc1ccc(OC(F)F)cc1 4746287 WCVNEIQZAAIBBX-WAYWQWQTSA-N 257.192 1.867 0 50 CDAA COc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)c(OC)c1 4902255 XVWAWYRXHBCKIF-XFFZJAGNSA-N 292.360 1.733 0 50 CDAA COc1cc2c(cc1OC)/C(=C/C(N)=O)NC(C)(C)C2 100091723 OQRJKZFNEBBXDC-XFFZJAGNSA-N 276.336 1.454 0 50 CDAA CC(=O)NCCNC(=O)CCn1c(C)cc2ccccc21 55167354 IVXLRRHTNIDOIF-UHFFFAOYSA-N 287.363 1.592 0 50 CDAA COc1cccc(-c2ncc[nH]2)c1O[C@@H](C)C(=O)O 67981933 HQHCSUQTYJKFOL-QMMMGPOBSA-N 262.265 1.937 0 50 CDAA COc1ccc(Cn2c(Cc3ccncc3)n[nH]c2=O)cc1 65386299 SQLHAQUVUZHQMJ-UHFFFAOYSA-N 296.330 1.614 0 50 CDAA Cc1c(CN2CC[C@@H](C(=O)N3CCCC3)C2)cnn1C 347461996 UPTCMEQWIWACEK-CYBMUJFWSA-N 276.384 1.173 0 50 CDAA CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1(C)C 60285701 LNFZLZSNGMJITN-CYBMUJFWSA-N 257.337 1.877 0 50 CDAA Cc1cc(CN2C[C@@H](F)C[C@H]2CNCc2cc[nH]n2)on1 347652287 FFLFXXGKXWZBCP-AAEUAGOBSA-N 293.346 1.408 0 50 CDAA CN1CC[C@@H](O)[C@H](CN(C)Cc2ccsc2)C1 20540145 POQYGPCOMYOBTA-QWHCGFSZSA-N 254.399 1.493 0 50 CDAA CS(=O)(=O)CCNCc1c[nH]nc1-c1ccc(F)cc1 62423124 FZYJVQFEZXNSGS-UHFFFAOYSA-N 297.355 1.350 0 50 CDAA CC[C@@H](C)[C@H](NCCc1ccncc1)C(=O)OC 351606903 VJAKHBZIDQQVIS-YPMHNXCESA-N 250.342 1.801 0 50 CDAA CCOc1ccc(OC[C@H](O)CN2CCO[C@@H](C)C2)cc1 229469956 BOSNCQIGCUKHJH-UONOGXRCSA-N 295.379 1.546 0 50 CDAA C/C(=C\C(=O)N1CCO[C@@H](C(=O)O)C1)C(C)(C)C 328595266 PQHBHIRNADDJHW-TTZKWOQHSA-N 255.314 1.291 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O=C(O)[C@@H]1COCCN1C(=O)CC/C=C/c1ccccc1 268971556 GXQMJQRPKHRCHK-PXYYCUNGSA-N 289.331 1.792 0 50 CDAA O=S(=O)(c1cn[nH]c1)N1CCC2(CCCC2)C1 393929321 GTGDZBDLHHLYKJ-UHFFFAOYSA-N 255.343 1.365 0 50 CDAA O=C(O)[C@H](CC(F)F)NS(=O)(=O)c1cccs1 275370975 YRHOHAUGEJSXCA-YFKPBYRVSA-N 285.293 1.135 0 50 CDAA CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1O[C@H](C)C[C@@H]1C 408053014 NGVFMYKTGQZUDD-SFDCQRBFSA-N 296.411 1.707 0 50 CDAA CC(C)(O)C(=O)NC1CCN(CC2CCCC2)CC1 185898141 LDSOVHMCGWMSTI-UHFFFAOYSA-N 268.401 1.528 0 50 CDAA CN1CCC[C@@]2(CCN(Cc3ncccc3O)C2)C1 552111055 NMQTYVONEPPPLP-OAHLLOKOSA-N 261.369 1.705 0 50 CDAA COC[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)C1CC1 188515482 VUQPXLKONRUJRX-AWEZNQCLSA-N 286.331 1.683 0 50 CDAA Cc1cc(CCNC(=O)[C@@H]2CCCO2)cc(C)c1O 188740267 XWDSWJCSHWVAPU-ZDUSSCGKSA-N 263.337 1.847 0 50 CDAA CON(C)C(=O)COc1ccnc(Br)c1F 585118286 JAXKQIDSEKZTLX-UHFFFAOYSA-N 293.092 1.382 0 50 CDAA CC[C@H](O)[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121768 ZBDHHXKRDOPZCN-YUTCNCBUSA-N 296.411 1.158 0 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1.046 0 50 CDAA Cc1noc(C)c1CCC(=O)Nc1cnn2c1NCCC2 1506418982 VKHXTPLIWTVPGO-UHFFFAOYSA-N 289.339 1.875 0 50 CDAA CCCO[C@@H]1CCCN(c2cncc(C(=O)N(C)C)n2)C1 1506402373 OABHSMFPFKNFFY-GFCCVEGCSA-N 292.383 1.574 0 50 CDAA Cc1nnc(SCC(=O)N(C)Cc2ccncc2C)o1 1506413606 JSPBZYLPNGIDLN-UHFFFAOYSA-N 292.364 1.832 0 50 CDAA Cc1cccc(NC(=O)CC(=O)N2CC[C@H](N(C)C)C2)c1 1506409761 SPDHNLUFHDGANZ-AWEZNQCLSA-N 289.379 1.486 0 50 CDAA CCCSc1ncc(CN2CC[C@@H]3CNC[C@@H]32)cn1 213397671 NRDNJKFYHWEPCO-OLZOCXBDSA-N 278.425 1.772 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)O 407985939 RZOBBGRZUFFURI-VIFPVBQESA-N 271.313 1.487 0 50 CDAA CCCCCC(=O)N1C[C@@H](O)[C@H](Cc2cc(C)no2)C1 1704352370 XJVIAGAPYNHJCP-TZMCWYRMSA-N 280.368 1.925 0 50 CDAA CN(C)S(=O)(=O)CCCN1CCC[C@H]1c1ccco1 116287543 URENUZGVRGXZFI-LBPRGKRZSA-N 286.397 1.698 0 50 CDAA C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cccs1 121631047 GXOACVGCIBPURK-DTWKUNHWSA-N 273.379 1.396 0 50 CDAA O=C(Cn1cnnn1)N1CC(Cc2ccccc2Cl)C1 378041757 FRNILKQDHNRAML-UHFFFAOYSA-N 291.742 1.028 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](CO)C2)cc1 5545516 KRIZHDVUBIBSIY-GFCCVEGCSA-N 269.366 1.388 0 50 CDAA CCOC(=O)c1c[nH]c2ccc(C)cc2c1=NCCCO 5958559 YHWPDELGHOBYME-UHFFFAOYSA-N 288.347 1.936 0 50 CDAA CC(C)(C)n1ncc(C(=O)O)c1I 162120492 RVPPEYUQMYMQIH-UHFFFAOYSA-N 294.092 1.941 0 50 CDAA Cc1cc(C)n(CC(=O)Nc2ccccc2C)c(=O)n1 1994190 SKMGIDCINXYBDI-UHFFFAOYSA-N 271.320 1.807 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)NC[C@@H](C)CN(C)C 2881517 POVREMZLKFLXJK-OLZOCXBDSA-N 264.369 1.768 0 50 CDAA Cc1nc(C)c(Cn2ccnc2S(C)(=O)=O)s1 267001630 CRCSZEAMPYHVII-UHFFFAOYSA-N 271.367 1.408 0 50 CDAA COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(C)nc1 248877263 WDBJMRLVFWUMFX-IHRRRGAJSA-N 288.347 1.804 0 50 CDAA Cc1ccc(C(N)=O)c(-c2ccc([C@@H]3CNC(=O)C3)cc2)n1 1875243176 UNUXMDJUCURNQH-ZDUSSCGKSA-N 295.342 1.759 0 50 CDAA O=C([C@H]1CC12CCCC2)N1CCOC[C@H]1c1nc[nH]n1 328904100 IUUPKGWDDXKAIV-MNOVXSKESA-N 276.340 1.285 0 50 CDAA Cc1oc(C(C)C)nc1C(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 329124223 XMNOEONEAJQAIM-QJPTWQEYSA-N 278.352 1.949 0 50 CDAA CC(C)[C@H](C(=O)N(C)[C@@H]1COC[C@H]1O)c1cccnc1 329349631 DCETZVHQVDLMER-MCIONIFRSA-N 278.352 1.039 0 50 CDAA CC(=O)N(C)c1cccc(NC(=O)C2(C(=O)O)CCC2)c1 649243663 XSVIVDYCHPPUGK-UHFFFAOYSA-N 290.319 1.863 0 50 CDAA COCC1(C2CCC2)CN(C(=O)NCc2cnc(C)o2)C1 665115505 KSIDZTSASKPMIO-UHFFFAOYSA-N 293.367 1.941 0 50 CDAA CO[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CC[C@H](O)C2)C1 252537644 LXTUOFLFWFYROH-ZDEQEGDKSA-N 270.373 1.404 0 50 CDAA Cc1nc(C(=O)N2CCC=C(c3cnn(C)c3)C2)no1 902990053 HIAQYGGDHZDWFU-UHFFFAOYSA-N 273.296 1.041 0 50 CDAA Cn1ccnc1-c1noc([C@@H]2NCCOc3ccccc32)n1 904608376 XPOZBBZQZIBBTL-GFCCVEGCSA-N 297.318 1.542 0 50 CDAA Cn1cc(C2=CCCN(S(=O)(=O)c3ccoc3)C2)cn1 907364610 LPCPSGJSGOCWBT-UHFFFAOYSA-N 293.348 1.491 0 50 CDAA Cn1cncc1C(=O)N[C@H]1CCc2ccccc2OC1 809804015 PHDJUAKGSIYZHQ-LBPRGKRZSA-N 271.320 1.544 0 50 CDAA CC(C)NC(=O)[C@@H](C)NC(=O)Cc1ccn(C(C)C)n1 822792549 AGEFQFNNLPXDSC-LLVKDONJSA-N 280.372 1.036 0 50 CDAA O=C(CN1CCC(c2ncco2)CC1)Nc1nccs1 931448078 ZFKLTVZIXVXJID-UHFFFAOYSA-N 292.364 1.949 0 50 CDAA Cc1nnc([C@H]2CN(C(=O)C=C3CCC3)C[C@@H](C)O2)o1 855974684 AGSZDGQDXFSKGU-BXKDBHETSA-N 277.324 1.777 0 50 CDAA CC1(C)CN(C(=O)Cn2cnnc2O)[C@H]1c1ccccc1 952886800 ATVDCMKRTJRNKN-ZDUSSCGKSA-N 286.335 1.593 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)N1CC[C@@](O)(Cc2cccc(F)c2)C1 1875257370 GMPVHPXUQRNMRZ-DIOULYMOSA-N 292.354 1.923 0 50 CDAA CN(CC(=O)O[C@@H]1CCC2(COC2)C1)[C@H]1CCSC1 1875318842 WOSSODBMMFVILD-NWDGAFQWSA-N 285.409 1.536 0 50 CDAA COc1cc(C(F)(F)F)nc(N(C)Cc2ncccn2)n1 895063727 XRLYKULAYASTIQ-UHFFFAOYSA-N 299.256 1.930 0 50 CDAA N[C@@]12CCC[C@@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2 1775960803 UQVBTYYXNOMBGZ-IAQYHMDHSA-N 270.336 1.516 0 50 CDAA CO[C@H](C)C1=NN(c2ncnc3ccsc23)C(=O)C1 899348920 PHLDCDUXNRNAKP-SSDOTTSWSA-N 276.321 1.819 0 50 CDAA CNC(=O)NCc1cn(-c2cc(OC)ccc2Cl)nn1 899705929 LMABWGPGUWFLMD-UHFFFAOYSA-N 295.730 1.358 0 50 CDAA C[C@H]1CNCCN1C(=O)COc1cccc(F)c1 262027813 NTWZVJKHOFWBDH-JTQLQIEISA-N 252.289 1.025 0 50 CDAA COc1ccnc(NC[C@H]2CCc3nccn3C2)n1 275574734 OQGBNMGFJURECN-SNVBAGLBSA-N 259.313 1.356 0 50 CDAA O[C@@H]1CCOC[C@H]1NCc1cccc(C(F)(F)F)c1 631258131 MZOSDYUIOQRXRE-VXGBXAGGSA-N 275.270 1.945 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)c1ncnc(N)c1Cl 369545111 CTVHLCHROIVGPD-VIFPVBQESA-N 292.774 1.608 0 50 CDAA C[C@H](C(=O)Nc1nnc2ccccn12)n1cc(Cl)cn1 2100548043 TUMNDTBTELAOEX-MRVPVSSYSA-N 290.714 1.779 0 50 CDAA COC(=O)[C@H]1CC[C@H](CCCO)N1C(=O)OC(C)(C)C 953119865 XXDDUFJNQKGHGY-WDEREUQCSA-N 287.356 1.700 0 50 CDAA O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(C2CCCC2)C1 219845 RLNDDYZKYVBPFV-DGCLKSJQSA-N 280.368 1.073 0 50 CDAA Cn1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2)n1 878200 WNVVPRHMFKWVAG-UHFFFAOYSA-N 293.710 1.869 0 50 CDAA Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC(=O)N1 6658243 ONLSZDPOFUENLW-SECBINFHSA-N 252.701 1.866 0 50 CDAA CCCCNC(=O)CN(C)c1ncnc2oc(C)nc12 55060463 GAVKTSOACLHDSE-UHFFFAOYSA-N 277.328 1.279 0 50 CDAA Cc1cc(C(=O)NCC2(Cn3ccnc3C)CC2)on1 102545401 JWYOVLNNOWNJTN-UHFFFAOYSA-N 274.324 1.698 0 50 CDAA NCCCN1CCN(c2ccccc2Cl)CC1 54009812 UOJJKDOJCHDJQF-UHFFFAOYSA-N 253.777 1.811 0 50 CDAA NC(=O)[C@@H](c1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 225736401 WNOPIEBUJGYUMQ-HZPDHXFCSA-N 297.358 1.761 0 50 CDAA CO[C@@H](CNC(=O)c1ccc(SC)cc1)C(=O)O 227270501 YYONRZWXMBGGRJ-JTQLQIEISA-N 269.322 1.238 0 50 CDAA CS(=O)(=O)N(CCCC(=O)O)c1ccc(F)cc1 113876317 NHLQPFZPSMVFMN-UHFFFAOYSA-N 275.301 1.457 0 50 CDAA Cn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21 100534612 ZUFMARVSGCUMJI-UHFFFAOYSA-N 296.286 1.286 0 50 CDAA CNc1cc(C(=O)N2CCC[C@@H]2c2nonc2C)ccn1 20598743 XLYDPWHRSNYLIL-LLVKDONJSA-N 287.323 1.792 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2ccn[nH]2)C1 67726410 ZJSYNMOONRYMCM-LBPRGKRZSA-N 287.367 1.698 0 50 CDAA COc1cc(N[C@H](C)c2nnc(N)s2)ncn1 65452565 IIVWGIOANDTTIK-RXMQYKEDSA-N 252.303 1.092 0 50 CDAA CC(C)N1CCC[C@H](N2C[C@H](C)OCC2(C)C)C1=O 248734800 KLQUOSQWWIXHJL-STQMWFEESA-N 268.401 1.885 0 50 CDAA CCc1ccccc1OCCN1CCN(C(C)=O)CC1 65398710 SQAUFESPPQNZJI-UHFFFAOYSA-N 276.380 1.792 0 50 CDAA CC[C@H](C(=O)NC)N(c1cccc(C)c1)S(C)(=O)=O 67622018 ARGRQEIPTIQHDK-GFCCVEGCSA-N 284.381 1.286 0 50 CDAA Cc1nc(C(=O)N(C)Cc2snnc2C)c(C)o1 67849942 DKZPDDUSUDEGCN-UHFFFAOYSA-N 266.326 1.724 0 50 CDAA Cc1nc(CN)cc(NCCNc2ccccc2)n1 67756576 ZARYTNVKLCQDGO-UHFFFAOYSA-N 257.341 1.768 0 50 CDAA CCNC[C@H](O)COCCCN1CCC[C@@H](C)C1 23549977 HPIOXBOTTXBOLI-KGLIPLIRSA-N 258.406 1.095 0 50 CDAA CCOC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 20167644 VHKMTBFYPCUORM-UHFFFAOYSA-N 276.380 1.676 0 50 CDAA Clc1cnc(N2CCN(Cc3cncnc3)CC2)nc1 65397818 UBYWJFYDEQBAJJ-UHFFFAOYSA-N 290.758 1.242 0 50 CDAA Cc1cc(C)n([C@@H](C)C(=O)NCCc2ccnn2C)n1 185837651 JGSCTNBXHCWNFO-LBPRGKRZSA-N 275.356 1.153 0 50 CDAA O=C(Nc1ccc(F)cn1)N1CCC[C@@H](n2cncn2)C1 122289789 RWQRARCUVILUSP-LLVKDONJSA-N 290.302 1.681 0 50 CDAA O=C(CC1CCNCC1)NC[C@@H](O)c1ccccc1F 151452841 JGVCFOIKMGFDHN-CQSZACIVSA-N 280.343 1.365 0 50 CDAA CCCn1c(NC(=O)[C@H]2COCCN2)nc2ccccc21 150695653 GQYBCHRQFSNNMT-GFCCVEGCSA-N 288.351 1.373 0 50 CDAA CN(CCc1ccncc1)C(=O)COC[C@@H]1CCCCO1 215632360 ZOEHPOSGLHQQEU-HNNXBMFYSA-N 292.379 1.668 0 50 CDAA Cc1ncn(-c2ccc(NC(=O)c3ncn(C)n3)cc2)c1C 360942162 GUWXQGZURQEDFE-UHFFFAOYSA-N 296.334 1.870 0 50 CDAA Cc1ccccc1OCCNC(=O)[C@H]1C[C@H]1C(=O)O 262566486 BLMOZFRTNRAWRJ-WDEREUQCSA-N 263.293 1.211 0 50 CDAA Cc1cc(C(=O)N2CCNC[C@@H]2C)nn1C(C)(C)C 126308034 XHMMRBPYDPCFTK-NSHDSACASA-N 264.373 1.380 0 50 CDAA CNCC(=O)N(Cc1ccccc1OC)C(C)C 71405825 RHVXDLYZJJZEFZ-UHFFFAOYSA-N 250.342 1.652 0 50 CDAA Cc1c[nH]nc1CN[C@@H]1CCCN(c2cnn(C)c2)C1 367974712 UEWWRWRJSPCTSO-GFCCVEGCSA-N 274.372 1.210 0 50 CDAA Cc1[nH]c(=O)[nH]c(=O)c1CN1C[C@H]2C3CCC(CC3)[C@H]2C1 72154061 IHNYMNYVTYKQAT-QCBYLEPLSA-N 289.379 1.240 0 50 CDAA CN1Cc2ccccc2[C@@H](Nc2ccc(C(N)=O)cn2)C1 372296738 FTTSEDXKCPNARZ-AWEZNQCLSA-N 282.347 1.779 0 50 CDAA COCc1cc(C(=O)N2CC[C@@H](N)C2)ccc1F 237190018 XCVIOUIMIIKUTQ-LLVKDONJSA-N 252.289 1.145 0 50 CDAA Cn1ccnc1-c1cccc(CNC(=O)C(F)F)c1 373273324 WZQAGAXSWOQEKJ-UHFFFAOYSA-N 265.263 1.968 0 50 CDAA C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H]1C(=O)O 237632329 NCHKTYMQMGIDCX-UFBFGSQYSA-N 299.273 1.808 0 50 CDAA Cc1ccccc1CCNC(=O)CN1CCC[C@H]1C(=O)O 237723789 RBWDXGCVBDSEHV-AWEZNQCLSA-N 290.363 1.203 0 50 CDAA Cc1c[nH]c(CCN[C@H]2CCOC3(CCOCC3)C2)n1 77321641 NSQJEPKZJOVUFU-ZDUSSCGKSA-N 279.384 1.578 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCO1)c1cccs1 237953788 GXMRHJOWOBPZFS-IUCAKERBSA-N 269.322 1.559 0 50 CDAA CC(C)(C)C(=O)NCCNc1cc(N2CCCC2)ncn1 72437100 PWBFDKHBDCNYIW-UHFFFAOYSA-N 291.399 1.651 0 50 CDAA CCC1(CNS(=O)(=O)c2cncc(OC)c2)CC1 282496052 GBFWMUCRFPXBOG-UHFFFAOYSA-N 270.354 1.559 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)nc1 238086648 DEJIUXSOSGMVTB-CYBMUJFWSA-N 297.314 1.833 0 50 CDAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCS[C@H]2COCC[C@H]21 136568442 NERAOMWROXOGCW-QNSTZXKLSA-N 279.405 1.932 0 50 CDAA O=S(=O)(c1ccco1)N1CC2(CCOCC2)[C@H]1C1CC1 335909641 DPGHISHQGGAVOD-CYBMUJFWSA-N 297.376 1.859 0 50 CDAA Cc1ncc(CNS(=O)(=O)C[C@H](C)C2CC2)s1 1363927449 GGIKSTDMJKDEKO-QMMMGPOBSA-N 274.411 1.917 0 50 CDAA CCN(CC)S(=O)(=O)NC[C@@H]1COc2ccccc2C1 49126552 VBMKCMUDBLLTBR-GFCCVEGCSA-N 298.408 1.414 0 50 CDAA CCOc1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)cc1 284672175 UYEUCEUYISERSJ-ZWNOBZJWSA-N 276.336 1.279 0 50 CDAA Cc1nccn1CCN(C)c1ncnc2[nH]ccc12 198185067 YQCRTVNYGBSUDT-UHFFFAOYSA-N 256.313 1.599 0 50 CDAA CCN(Cc1nc(C(C)C)no1)C(=O)CCC(=O)O 426361162 LCTFLIDRTYQJFT-UHFFFAOYSA-N 269.301 1.406 0 50 CDAA Cc1ncsc1C(=O)N[C@H](CO)CN1CCCCC1 288644408 XQOYYPFFSHVJHP-NSHDSACASA-N 283.397 1.028 0 50 CDAA CCc1ccc(C(=O)NCC2(N(C)C)CCOCC2)[nH]1 426374437 VRBFKQQRTVQQIQ-UHFFFAOYSA-N 279.384 1.418 0 50 CDAA Cc1nonc1CSc1nnc([C@H]2CCCNC2)n1C 426513745 RVBSFHRJDBJIAI-VIFPVBQESA-N 294.384 1.266 0 50 CDAA COCCN(Cc1cnn(C)c1)C(=O)NCc1ccoc1 426388375 HOUZQKPBXMZZFN-UHFFFAOYSA-N 292.339 1.371 0 50 CDAA Cc1csc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)n1 239235630 WJRPHTSFHUPAIQ-FNCVBFRFSA-N 280.305 1.044 0 50 CDAA C[C@H](C(=O)NCCc1nc2c(s1)CCC2)n1cccn1 426503316 OHXIOYGBTMSPED-SNVBAGLBSA-N 290.392 1.748 0 50 CDAA CCCn1nccc1C(=O)N[C@H]1COCC1(C)C 615981414 GHEVTEXHUOOSHW-NSHDSACASA-N 251.330 1.448 0 50 CDAA Cc1nnc(N(C)C(=O)Cc2ccc3c(c2)CCO3)s1 291910600 SEZSWLOZVSRHAW-UHFFFAOYSA-N 289.360 1.987 0 50 CDAA CC(C)c1ncc(CN2CCN([C@@H]3CCNC3)CC2)cn1 97618861 KVWALNMOGSHDEY-OAHLLOKOSA-N 289.427 1.080 0 50 CDAA CC[C@@H](C(=O)Nc1cncc(C)c1)N1CCCC1=O 267529367 VACPDLAUAHFDDX-LBPRGKRZSA-N 261.325 1.730 0 50 CDAA Cc1ccnc([C@@H](NC(=O)Cn2cccnc2=O)C2CC2)c1 97776272 FCZPJIDOFBXCPG-HNNXBMFYSA-N 298.346 1.214 0 50 CDAA CN(C)[C@@H](C(=O)NC1(CO)CCCC1)c1ccc(F)cc1 95373646 VMKCWBLQGSZEHT-CQSZACIVSA-N 294.370 1.850 0 50 CDAA Cc1cnccc1CN1CCC(N2CCC[C@@H](O)C2)CC1 244701309 KDXASKYJJJFPFS-QGZVFWFLSA-N 289.423 1.811 0 50 CDAA CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCNC2)n1 242688159 VHNXABCBAGXMDM-SNVBAGLBSA-N 272.356 1.020 0 50 CDAA CC(C)[C@@H](CNC(=O)c1cnns1)c1ccnn1C 240412632 FNMGULOGBSLGDT-SECBINFHSA-N 279.369 1.441 0 50 CDAA O=C(O)c1nc2cccnc2n1CC1CCOCC1 255190797 ZNURLWNLMJLYLF-UHFFFAOYSA-N 261.281 1.556 0 50 CDAA BrC12C3[C@@H]4C5[C@@H]3[C@H]1C([C@H]42)C51OCCO1 254740535 UXIMUUDQGPJUPI-LFEKEBNMSA-N 255.111 1.245 0 50 CDAA CCn1cc([C@H](C)NC(=O)c2cccnc2F)cn1 297299424 XRTQORDCAHQUJW-VIFPVBQESA-N 262.288 1.928 0 50 CDAA Cc1cc(C(=O)NCc2nc3ccc(F)cc3[nH]2)nn1C 358169120 MYEHKANDJNCQHK-UHFFFAOYSA-N 287.298 1.674 0 50 CDAA CN(C)c1nc(=NCCCOC2CCCC2)[nH]cc1F 534576701 QPTFKDBIDIKRAL-UHFFFAOYSA-N 282.363 1.865 0 50 CDAA CC1(C)SC[C@@H](C(=O)NC2(C3CCCC3)CC2)NC1=O 534676757 ZBSOIEDNWWUMLF-NSHDSACASA-N 296.436 1.836 0 50 CDAA C[C@H](NC(=O)C1(Cn2ccnc2)CC1)c1cccnc1 534590856 CNTXRTSTHCVLIQ-LBPRGKRZSA-N 270.336 1.936 0 50 CDAA CCN(CCn1cccn1)C(=O)[C@H]1CCCNCC1 534661941 LPJNFULPINRKEC-ZDUSSCGKSA-N 264.373 1.121 0 50 CDAA CC(C)C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)n1cccc1 263586987 AQMFYRLOYAVHSW-CHWSQXEVSA-N 298.408 1.379 0 50 CDAA Cc1ncn(C)c1C(=O)N[C@H]1CCCN(C2CCCC2)C1 299798577 SZJUFPVZEVKHIK-ZDUSSCGKSA-N 290.411 1.865 0 50 CDAA CN(C)CC[C@@H](NC(=O)C1(CO)CC1)c1ccccc1 299794167 JXJJZRFKVMAEKV-CQSZACIVSA-N 276.380 1.568 0 50 CDAA COc1ccc([C@H]2Cn3nnc(CO)c3CO2)cc1 643919578 AJAGVOSJQVRSRO-CYBMUJFWSA-N 261.281 1.051 0 50 CDAA O=C(Nc1cccc2cn[nH]c12)N1CC[C@H]2CNC[C@H]21 299794626 LSVZJQWTUPGREW-JOYOIKCWSA-N 271.324 1.389 0 50 CDAA CN(C)C(=O)c1cncc(NCCC2(O)CCCC2)n1 823641980 LCWNXNJEYCVBOM-UHFFFAOYSA-N 278.356 1.286 0 50 CDAA CS(=O)(=O)N[C@H](Cn1ccnc1)c1ccccc1 824864416 BOSRGHKTOIXRTN-GFCCVEGCSA-N 265.338 1.174 0 50 CDAA Cc1nccn1[C@H](C)CC(=O)N(C)CCn1ccnc1 584886003 WYKZTAQVAYLQHL-GFCCVEGCSA-N 275.356 1.498 0 50 CDAA CC(C)Cn1cncc1CNC(=O)c1ccc(CO)o1 828826003 SFPKNBZQTPUROQ-UHFFFAOYSA-N 277.324 1.554 0 50 CDAA Cc1ccc2nc(CN(C)Cc3n[nH]c(C)n3)[nH]c2c1 670436530 QXUOAKVLSCSVJW-UHFFFAOYSA-N 270.340 1.930 0 50 CDAA Clc1ccc2c(c1)CN(CCn1cnnc1)CCO2 670442823 SVTPYVOXYIJBJU-UHFFFAOYSA-N 278.743 1.826 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)N1C[C@H](C)O[C@H](C)C1 670458661 IOPDLXJPYQYBIH-OYQDBORRSA-N 296.411 1.264 0 50 CDAA C[C@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1cccn(C)c1=O 685939648 ATXFIQXNONHXKE-WCQYABFASA-N 292.383 1.189 0 50 CDAA Cc1nnc(C(=O)NCc2nc(C)c(C)s2)s1 185462386 WZXIWPCOHUCFIS-UHFFFAOYSA-N 268.367 1.850 0 50 CDAA CN(c1ccccn1)S(=O)(=O)Cc1noc(C2CC2)n1 1474846943 LZIZDGCRYMALKX-UHFFFAOYSA-N 294.336 1.308 0 50 CDAA Cc1ccc(NS(=O)(=O)N2CCC[C@@H]2C)c(O)n1 408330822 OJQDQFXEUYOQOM-VIFPVBQESA-N 271.342 1.237 0 50 CDAA COc1ccc(Cl)c(CN2C[C@@H](C)[C@H](C(N)=O)C2)c1 408473657 GNNSSCNTXQNATF-BXKDBHETSA-N 282.771 1.902 0 50 CDAA O=C(NC[C@H]1CCCCN1CCO)c1ccnc(Cl)c1 408519908 PIHXCHRWCCTUAB-GFCCVEGCSA-N 297.786 1.312 0 50 CDAA CCn1cc(CNC[C@H]2CC[C@@H](c3nc(C)no3)O2)cn1 275262055 IAQMKVJKBUKXAW-OLZOCXBDSA-N 291.355 1.604 0 50 CDAA COC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 90513320 WOUKHGQKKHAEFL-UHFFFAOYSA-N 293.138 1.639 0 50 CDAA in-vitro CCN(C(=O)NC1CCN(c2ncccn2)CC1)C(C)C 170696437 LETNRUKBVNIBQO-UHFFFAOYSA-N 291.399 1.885 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(Cc2nc3ccccc3o2)C1 671554901 XYFMJMVGKNHWHE-OAHLLOKOSA-N 299.334 1.056 0 50 CDAA CC[C@]1(CO)CCCN(C(=O)Cc2ccccc2O)C1 187148189 YKZZFPHUBDWWEQ-INIZCTEOSA-N 277.364 1.946 0 50 CDAA CO[C@@](C)(CO)CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585091123 ZGONPBDUFAHRKO-ZJQBRPOHSA-N 255.358 1.326 0 50 CDAA C[C@H]1CN(Cc2cccc3c2CCOC3)C[C@H](CO)O1 639606945 OEPIRAMYWQFNJE-SWLSCSKDSA-N 277.364 1.341 0 50 CDAA CC1CCC(NC(=O)Cn2cc(F)ccc2=O)CC1 190754277 BREMZEPDDIERPJ-UHFFFAOYSA-N 266.316 1.682 0 50 CDAA C[C@](O)(Cc1ccccc1)C(=O)N1Cc2c[nH]nc2C1 647796351 VJIQKZCVFNTBQP-HNNXBMFYSA-N 271.320 1.246 0 50 CDAA CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(-n2nn[nH]c2=O)cc1 194317415 LXCNCRPTQRCYGD-VHSXEESVSA-N 289.339 1.576 0 50 CDAA O=C(NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)C(F)F 194816511 OOWNSQVUCRSZPV-VXGBXAGGSA-N 284.306 1.003 0 50 CDAA CN(CCn1cccn1)[C@@H](C(=O)O)c1ccc(F)cc1 566625645 WZYRJCJFDLBPSC-CYBMUJFWSA-N 277.299 1.780 0 50 CDAA O=C(NCCc1cccnc1)N1CCC[C@@H](CO)C1 199924087 XUJLHOJAYDRHHM-CYBMUJFWSA-N 263.341 1.038 0 50 CDAA CC[C@H]1CN(C)CCN1C(=O)Nc1cc2c(nn1)CCC2 1615627669 WZDNEYWDYGTBAS-LBPRGKRZSA-N 289.383 1.523 0 50 CDAA Cn1ccc2ccc(C(=O)N3C[C@H](O)[C@@H](F)C3)cc21 1616103629 HLKIJOVJCSICHC-AAEUAGOBSA-N 262.284 1.333 0 50 CDAA O=C(CN1CCCCC1)N[C@H]1CCCCCC[C@@H]1O 1857671298 DIVMVBWJXWLLQB-KBPBESRZSA-N 268.401 1.672 0 50 CDAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 218605623 RCXPMBPHUIYBOA-JTQLQIEISA-N 278.308 1.092 0 50 CDAA COC(=O)c1ccc(NC(=S)NC[C@H]2CCCO2)cc1 612670 OCMBHKDKASATNT-GFCCVEGCSA-N 294.376 1.939 0 50 CDAA CCOCCC(=O)NCCCc1c(C)n[nH]c1C 222980251 KZYMAWZLKHUZHR-UHFFFAOYSA-N 253.346 1.502 0 50 CDAA CN(C)c1nccnc1N(C)CCN1CCCCCC1 1529159085 NVPWCYYAJCOXFF-UHFFFAOYSA-N 277.416 1.855 0 50 CDAA CCC(=O)Nc1ccc(NC(=O)[C@H](C)C(=O)O)cc1 229348650 JTPNNVBNSIJBST-QMMMGPOBSA-N 264.281 1.694 0 50 CDAA CN1CC[C@H](NC(=O)N2CC(C)(C)[C@H]2C2CC2)C1=O 336020430 PPYIESGBCABBDB-WDEREUQCSA-N 265.357 1.047 0 50 CDAA OC[C@@H]1CCN(Cc2ccc(F)cc2F)C[C@@H]1O 336522440 MXXTYTJZJLKUEV-GWCFXTLKSA-N 257.280 1.140 0 50 CDAA O=C1NC(=O)[C@@]2(CC(=O)c3cc(Br)ccc32)N1 584648726 MWDLWLPHIPRYNP-NSHDSACASA-N 295.092 1.070 0 50 CDAA CN1CC[C@@H]2CN(c3ncnc4ccsc34)C[C@@H]2C1=O 1772807777 AHANXDCMVUBZEG-ZJUUUORDSA-N 288.376 1.606 0 50 CDAA Nc1cc(-c2cccc(N)c2C(=O)O)ccc1C(=O)O 5200412 QZZNDWGCUFSPKQ-UHFFFAOYSA-N 272.260 1.914 0 50 CDAA COc1cc(C)c(C)cc1S(=O)(=O)NC(C)C 11614107 UWROLXHKVKRJCE-UHFFFAOYSA-N 257.355 1.999 0 50 CDAA O=C1C[C@@H](NC2CCOCC2)CN1CCc1ccccc1 11874570 IRCFSYWKZQXVFT-MRXNPFEDSA-N 288.391 1.599 0 50 CDAA COc1ccc(CN2CCNCC2)c(OC)c1OC 19358638 UHWVSEOVJBQKBE-UHFFFAOYSA-N 266.341 1.118 0 50 CDAA world Cc1ccc(N2C(=O)C[C@H](N3CCOCC3)C2=O)cc1C 19890903 UNTPGNGPVZPQEP-AWEZNQCLSA-N 288.347 1.268 0 50 CDAA N[C@@H](Cc1ccc(O)c(Br)c1)C(=O)O 6091875 HGWOSUKIFQMEIF-ZETCQYMHSA-N 260.087 1.109 0 50 CDAA endogenous,in-man CCOC(=O)c1c(C)nn2c(C)c(C(C)=O)cnc12 4820710 AMTHJTLARDOYDR-UHFFFAOYSA-N 261.281 1.725 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cncnc3)n[nH]c21 1857528574 FXHUGZWGSPLZBP-BDAKNGLRSA-N 287.323 1.152 0 50 CDAA Cn1nnc(-c2ccc(OC[C@H]3CC4CCN3CC4)cc2)n1 1857683957 SPZBZSJFJOMZFT-CQSZACIVSA-N 299.378 1.740 0 50 CDAA COc1cnc2ccccc2c1C(=O)N1CC(CN(C)C)C1 615507064 XCBZDNJRHPRCAZ-UHFFFAOYSA-N 299.374 1.877 0 50 CDAA CCOc1cc(C(=O)NC[C@@H]2CN(C)CCO2)ccc1C 113159817 KUYQFTAEJHNIOH-CQSZACIVSA-N 292.379 1.454 0 50 CDAA CCN1CCN(c2ncnc3c(F)cccc23)CC1=O 433751674 OVBIXZBCBASDPZ-UHFFFAOYSA-N 274.299 1.437 0 50 CDAA Cc1cccc([C@@H]2CCCN2C(=O)CCNC(N)=O)c1 124180949 MCSNOKIVHPXJCT-ZDUSSCGKSA-N 275.352 1.717 0 50 CDAA CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCOCC1 11636989 NAZZOCYUQWEGDJ-AWEZNQCLSA-N 279.336 1.711 0 50 CDAA Cc1cc(=O)c(C(=O)NCc2ccc3c(c2)CCO3)cn1C 569467680 JGHXQQRYHISPTL-UHFFFAOYSA-N 298.342 1.559 0 50 CDAA COc1ccccc1[C@H]1CCN(C(=O)c2c[nH]nn2)C1 150803000 LFHBYYFZNQKTCW-JTQLQIEISA-N 272.308 1.443 0 50 CDAA Cc1ccsc1CCNC(=O)C[C@@H]1CNCCO1 258909429 JKNISMQBBFVZAM-LLVKDONJSA-N 268.382 1.094 0 50 CDAA COc1cc(CN2C[C@@H](CO)Oc3ccccc32)ccn1 367117038 KLKJHMCKOLVMEW-ZDUSSCGKSA-N 286.331 1.850 0 50 CDAA O=C(NCc1ccc(C(=O)O)cc1)N[C@@H]1CCCOCC1 261666707 LAOPTMDAHCRKAK-CYBMUJFWSA-N 292.335 1.753 0 50 CDAA 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C=CC(=O)NC[C@H]1CSCCN1Cc1ccccc1 1335866191 GPIPBHIKYFNAFD-AWEZNQCLSA-N 276.405 1.906 0 50 CDAA CN(Cc1noc(C2CC2)n1)C(=O)C12CCCN1CCC2 1363035001 OURJENUOWXINEE-UHFFFAOYSA-N 290.367 1.534 0 50 CDAA NCc1cccc(C(=O)NC2(c3nc[nH]n3)CCC2)c1 1548562219 LSBNDUZHTBNDEB-UHFFFAOYSA-N 271.324 1.073 0 50 CDAA C[C@]1(O)CCN(CCCCOc2ccccc2)C[C@H]1O 1565513198 AGBUSNAYHSSIKD-CVEARBPZSA-N 279.380 1.663 0 50 CDAA O=C(Nc1cnns1)c1cc2ccccc2oc1=O 170605793 YAUIKRGTGQQMAZ-UHFFFAOYSA-N 273.273 1.897 0 50 CDAA CC[C@@H](NS(=O)(=O)c1ccc(C)c(Cl)c1)C(=O)O 270489254 LVPFDOJHOWVJEA-SNVBAGLBSA-N 291.756 1.790 0 50 CDAA CNC(=O)CCNC(=O)C(F)(F)c1ccccc1F 270813370 MLAWCPJEGBZFQB-UHFFFAOYSA-N 274.242 1.170 0 50 CDAA CC[C@H](C)[C@@H]1NC(=O)N(Cc2c[nH]nc2C)C1=O 277143682 AOBGRXDVECCSAD-XVKPBYJWSA-N 250.302 1.185 0 50 CDAA Cn1nccc1N1CCC[C@@H](Nc2ccccn2)C1=O 170090389 YGBMTZAXLAAGLP-LLVKDONJSA-N 271.324 1.423 0 50 CDAA CO[C@H]1CNC[C@@H]1NC(=O)CCc1ccc(C)cc1C 170051411 UWQQKZLRTVSOKP-GJZGRUSLSA-N 276.380 1.339 0 50 CDAA CO[C@H]1CNC[C@H]1NC(=O)C(C)(C)c1cccc(F)c1 170051456 AFXKJDVTQJOIIQ-OLZOCXBDSA-N 280.343 1.206 0 50 CDAA CCS[C@@H]1CCC[C@H]1NC(=O)c1cncnc1 273933016 KSPWQJUUMOEMSB-GHMZBOCLSA-N 251.355 1.881 0 50 CDAA Cc1ccccc1-n1cc(CNC[C@H]2CCC[C@H]2O)nn1 673602930 OJIMJABBMVCYME-CZUORRHYSA-N 286.379 1.826 0 50 CDAA O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)COB2O 584935155 AFEPNBCWONOCDJ-AVGNSLFASA-N 299.179 1.460 0 50 CDAA CC[C@@H](C)CN(C)[C@@H]1CCN(CCC(=O)OC)C1=O 585094196 OEPYSUCRPIPTGG-VXGBXAGGSA-N 270.373 1.128 0 50 CDAA CN(CC1(N(C)C)CCC1)C(=O)NCCn1ccnc1 187818815 LLYBKBWVODTOED-UHFFFAOYSA-N 279.388 1.009 0 50 CDAA C[C@@H]1NCCC[C@@H]1NC(=O)c1cccnc1C1CC1 638204831 GAVFHDUADMOZGG-GWCFXTLKSA-N 259.353 1.829 0 50 CDAA CN(C)c1noc(CN(Cc2ccncc2)C2CC2)n1 192771807 BGBYDARZEDECCH-UHFFFAOYSA-N 273.340 1.695 0 50 CDAA CC1(C(N)=O)CN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 572163106 SRJNWBCVEGGWHE-GARJFASQSA-N 250.342 1.147 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)n1 598762253 NFYONEKTYKEPNN-HTGLOVNISA-N 297.424 1.884 0 50 CDAA C[C@@H]1CN(c2cccc(F)c2)CCN1C(N)=S 1614620690 FGTWSDFEGWYZIB-SECBINFHSA-N 253.346 1.580 0 50 CDAA Cc1nn(Cc2ncoc2C2CCC2)c(=O)s1 1615588530 QYDXGCUVFAYAJZ-UHFFFAOYSA-N 251.311 1.917 0 50 CDAA CN(CCCN1CCCC1)C(=O)c1cncc(N(C)C)c1 1615612897 CSKUXFIKWOULRK-UHFFFAOYSA-N 290.411 1.706 0 50 CDAA CCc1c(C(=O)N[C@H]2Cc3cnccc3NC2=O)ccn1C 1616040285 DETTYZKYMTYCLC-ZDUSSCGKSA-N 298.346 1.276 0 50 CDAA COc1ccc(C(=O)NC[C@@H]2CCCO2)c(OC)c1 288281 ZTZUUWLVMCVNEM-NSHDSACASA-N 265.309 1.613 0 50 CDAA COC[C@H](c1ccccn1)N(C)Cc1cncnc1 1506403764 NQUOIUPIOXRNEF-CQSZACIVSA-N 258.325 1.691 0 50 CDAA CCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 93048 GRBBKURKXPJOKW-UHFFFAOYSA-N 296.396 1.581 0 50 CDAA COC(=O)[C@@H](CCSC)NC(=O)c1cccs1 2806741 YUOSMZKMASOXEA-MRVPVSSYSA-N 273.379 1.773 0 50 CDAA Nc1cccc2c(I)n[nH]c12 14985902 PKVMOBFPBGHIFO-UHFFFAOYSA-N 259.050 1.750 0 50 CDAA in-vitro O=C(/C=C/c1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1 1202781 GFPKHNPIANRRGN-MVIFTORASA-N 299.779 1.657 0 50 CDAA Fc1ccc2c(c1)CCc1nnc(-c3cnccn3)n1-2 1772806274 AXWNGAVTPDLJDF-UHFFFAOYSA-N 267.267 1.962 0 50 CDAA CC(C)c1nccc(CN2CCOC[C@@H](C(=O)O)C2)n1 1772816550 PKVVCYYKPWBRLY-NSHDSACASA-N 279.340 1.133 0 50 CDAA CC(C)N(CCNc1nnc(C(C)(C)N)o1)C(C)C 1772706774 PNTADJGLQXEXFP-UHFFFAOYSA-N 269.393 1.794 0 50 CDAA CC1=C(C(N)=O)[C@H](c2ccccc2Cl)NC(=S)N1 5757477 IUFOKBIDMREVEE-JTQLQIEISA-N 281.768 1.618 0 50 CDAA CC(C)OCCCNC(=O)c1nc2ccccc2c(=O)[nH]1 16649848 CVNJUOYAMWNQCL-UHFFFAOYSA-N 289.335 1.468 0 50 CDAA O=S(=O)(NCc1ccccc1)c1ccc(O)cc1 19733497 ZFIFUZYGTBRPMC-UHFFFAOYSA-N 263.318 1.871 0 50 CDAA COc1cccc(-n2ccc3c(cnc4ncnn43)c2=O)c1 19959005 XABQKYYZKYNPRX-UHFFFAOYSA-N 293.286 1.437 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 169578063 WXNXDJZLDYGMOY-KKOKHZNYSA-N 275.691 1.783 0 50 CDAA Cc1cc(N2CCCN(c3cncc(N)n3)CC2)ccn1 1857676430 HCDWHKRSGHHSIE-UHFFFAOYSA-N 284.367 1.479 0 50 CDAA O=C1CCOC2(CCN(Cc3ccsc3)CC2)CN1 1857730764 WLJFFNHYVSRPDC-UHFFFAOYSA-N 280.393 1.619 0 50 CDAA CC[C@H]1C(=O)N(CC)CCN1C(=O)[C@H](O)C1CCCCC1 408416902 PFPGWGLCOHTVCA-UONOGXRCSA-N 296.411 1.397 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)CC1(O)CCCC1 328620099 GRFGPVIWECTRGI-ZDUSSCGKSA-N 291.395 1.599 0 50 CDAA CC1(C)CNCC[C@H](NC(=O)c2ccc(C(=O)O)cc2)C1 630577163 VGDVDWQDUMZWMM-ZDUSSCGKSA-N 290.363 1.893 0 50 CDAA CCOC[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 236981335 RAKPVRMCNLGEMX-BBRMVZONSA-N 288.391 1.586 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H](N)C2)c(Cl)cc1F 237705675 ZUJUCTQGBPXGSJ-MRVPVSSYSA-N 256.708 1.961 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2C)N(C)C1 346548545 JLULUENLUPJJIB-KBPBESRZSA-N 296.798 1.984 0 50 CDAA CCO[C@@H](C)C(=O)N1CC[C@@](C(=O)O)(c2ccccc2)C1 571526211 NWTPGACNXDURPY-LRDDRELGSA-N 291.347 1.666 0 50 CDAA CN1CCC[C@]2(CO)CCN(Cc3ccoc3)C[C@@H]12 1704337830 GXCBFSYUFJIELM-HUUCEWRRSA-N 264.369 1.558 0 50 CDAA Cc1ncc(C(=O)N2CCc3occc3[C@@H]2C(=O)O)n1C 910206571 UYTOIPNSYQKYAU-GFCCVEGCSA-N 289.291 1.146 0 50 CDAA C[C@@H](c1ncccn1)N1CCC(n2cnnc2O)CC1 930284934 IYMUITOCXZNZJG-JTQLQIEISA-N 274.328 1.172 0 50 CDAA O=C(Nc1cnn[nH]1)[C@@H]1OCC[C@@H]1c1ccccc1 935595824 TVWKLYOXSRYRPW-ZYHUDNBSSA-N 258.281 1.316 0 50 CDAA CC(C)n1cc(NC(=O)[C@@](C)(O)C2CCC2)cn1 1144006690 ROFWYDSASBEMNH-ZDUSSCGKSA-N 251.330 1.954 0 50 CDAA CC[C@H]1NC(=O)N(C[C@H](O)Cc2cccc(Cl)c2)C1=O 864095899 LTOXGFONGOKJDG-VXGBXAGGSA-N 296.754 1.574 0 50 CDAA COc1cccc(-n2cc(CNC(=O)c3cocn3)nn2)c1 1875255705 APZUNKDMZZTTPJ-UHFFFAOYSA-N 299.290 1.194 0 50 CDAA CN(C[C@H]1OCCc2ccccc21)c1cc[nH]c(=N)n1 1875275452 WGWMECUWTCDVPT-CYBMUJFWSA-N 270.336 1.639 0 50 CDAA C[C@@H]([C@@H](O)C(=O)N[C@H]1CCc2ccccc21)N1CCCC1 1875316224 BNKSVUXGFXJUPE-VBNZEHGJSA-N 288.391 1.635 0 50 CDAA O=C(c1nc2ncccn2n1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 885219471 WODLXOSJKDEXNU-CHWSQXEVSA-N 297.362 1.775 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)O)c1ccccc1 236862720 HDGNDOMODGLTIM-FRRDWIJNSA-N 277.320 1.744 0 50 CDAA Cc1noc(C[C@@]2(O)CCCN(Cc3cc[nH]c3)C2)n1 886096714 KDHRJVSHSNPWOX-AWEZNQCLSA-N 276.340 1.276 0 50 CDAA COc1cc(CN2CCC(C(N)=O)CC2)cc(OC)c1 19634728 NVYTVMXKJKNBOT-UHFFFAOYSA-N 278.352 1.401 0 50 CDAA COCc1ccc(Nc2nccnc2C(N)=O)cc1 1174918395 BQUCTPFIOZUXAC-UHFFFAOYSA-N 258.281 1.466 0 50 CDAA COC(=O)C1CC2(C1)N=[S@@](C)(=O)c1ccccc1N2 1772795139 WMKWNRYCKIXBOZ-RSIHPMSXSA-N 280.349 1.848 0 50 CDAA CC(C)(C)c1nc(C(=O)Nc2n[nH]c(CO)n2)cs1 1775986865 MGQHMRWKXQUIPS-UHFFFAOYSA-N 281.341 1.303 0 50 CDAA Cc1ccccc1CN1CC(=O)N(CCn2ccnc2)C1=O 1776002530 VFEVOBFSQPNKBT-UHFFFAOYSA-N 298.346 1.656 0 50 CDAA CC(C)(C)OC(=O)N1CC(n2cc(C=O)cn2)C1 238176085 UDFJFPFFGIFHGX-UHFFFAOYSA-N 251.286 1.487 0 50 CDAA CC(C)n1ccnc1CN1CCCC[C@@H]1C(=O)O 262303031 QSGKOSOFTFMQSY-LLVKDONJSA-N 251.330 1.903 0 50 CDAA O=C(CCC1CCCC1)N1CCC(O)(C(=O)O)CC1 262414899 BWVMPMODZXHCMG-UHFFFAOYSA-N 269.341 1.395 0 50 CDAA Cc1nsc(N2CCN(Cc3c(C)noc3C)CC2)n1 266324357 GBRUHYVSHQAMLJ-UHFFFAOYSA-N 293.396 1.774 0 50 CDAA CC(C)(CNC(=O)c1ncccc1F)N1CCOCC1 665339092 VYSIMTPGKKOAHQ-UHFFFAOYSA-N 281.331 1.061 0 50 CDAA C[C@H](O)[C@H]1CCCN1C(=O)COc1ccc(F)cc1 618913264 VWJLDDJQVLQGQX-GXFFZTMASA-N 267.300 1.576 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)O)C2)ccn1 710201443 SHJZZGFGIDINPO-YMTOWFKASA-N 262.309 1.573 0 50 CDAA COC(=O)[C@H]1CN(c2ccc(OC)cc2)N=C1C(C)=O 4281876 HGOODTPHWIFRCU-LBPRGKRZSA-N 276.292 1.249 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)NCc1sc(C)nc1C 2100534514 LXVRKFLQPKETFZ-SNVBAGLBSA-N 287.454 1.845 0 50 CDAA CCOC(=O)c1sc(SC)c(C(N)=O)c1N 335294 QPRZQLYYWCXADO-UHFFFAOYSA-N 260.340 1.328 0 50 CDAA Cc1ccc(NC(=O)C(=O)Nc2ccccn2)cc1 37867171 DRTAHNRKUXXYNG-UHFFFAOYSA-N 255.277 1.967 0 50 CDAA C[C@H]1CC(=O)NC[C@@H]1c1nc(-c2cc[nH]c3nccc2-3)no1 2325783713 WJGPJIKCHNWGJH-KWQFWETISA-N 297.318 1.804 0 50 CDAA O=C(NCCCCc1ccncc1)c1cccc2nncn12 2325802703 WLBPVZXMHRTKSP-UHFFFAOYSA-N 295.346 1.877 0 50 CDAA CCN(C(C)C)S(=O)(=O)N[C@@]12CCC[C@@](C)(C1)OC2 2325806115 VOVVEQDYKYWZNI-STQMWFEESA-N 290.429 1.653 0 50 CDAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(CCN)cc1 53767 AKNMFKYHSBWRLH-LBPRGKRZSA-N 282.409 1.751 0 50 CDAA Cc1noc(C)c1C(=O)NCc1ccc2c(c1)OCO2 111976 GOIMJAGJZKVRNX-UHFFFAOYSA-N 274.276 1.950 0 50 CDAA COc1ccc(S(=O)(=O)NC2CCCC2)cc1 272548 WITRMUHEXKYGRJ-UHFFFAOYSA-N 255.339 1.916 0 50 CDAA NC(=O)COC(=O)COc1ccc(Cl)cc1Cl 466462 SFILTLHBWURQKM-UHFFFAOYSA-N 278.091 1.401 0 50 CDAA Cc1nccn1CC(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356137530 OXTRWAOZBBSKCC-INIZCTEOSA-N 299.378 1.421 0 50 CDAA Cc1occc1-c1cc(=NC(=O)NC[C@@H](C)CN)[nH]o1 415608903 FZKDVZDRHVIKMF-QMMMGPOBSA-N 278.312 1.381 0 50 CDAA Cc1ccc2c(c1)N(CC(=O)N1CCSC1)C(=O)CO2 20860272 MSLMRAVOBJIXSE-UHFFFAOYSA-N 292.360 1.253 0 50 CDAA Cc1ccc(NCCNC(=O)c2ccc(F)cc2)nn1 57791632 AWDXFYYWQSLCGO-UHFFFAOYSA-N 274.299 1.766 0 50 CDAA CCc1ccc([C@H](C)C(=O)N[C@H]2CCN(C(N)=O)C2)cc1 114365016 ZNJHBODTEKZYHM-FZMZJTMJSA-N 289.379 1.622 0 50 CDAA CN1CCN(C(=O)[C@@]23CC[C@@H](C2)C(C)(C)C3=O)CC1 20291636 LXVPELZWNPIMQG-NHYWBVRUSA-N 264.369 1.156 0 50 CDAA Cc1nc(-c2noc(C(=O)N3CC[C@@H](C)C3)n2)co1 350337455 WBDCRBIDAVIUBP-SSDOTTSWSA-N 262.269 1.515 0 50 CDAA COc1ncc(-c2nccn2CCc2cnc[nH]2)cn1 67713729 KSUDNEJRTBIZDG-UHFFFAOYSA-N 270.296 1.315 0 50 CDAA CCCN(Cc1nccn1C)C(=O)c1ccnc(NC)c1 65399399 SMXNEYFQCQLEGD-UHFFFAOYSA-N 287.367 1.909 0 50 CDAA CC(C)(O)[C@H]1CCCN1Cc1ccc2c(c1)NC(=O)CO2 352884102 KVIDRBYJPOTDNW-CQSZACIVSA-N 290.363 1.753 0 50 CDAA O=C(N1CCC[C@@H](c2ccn[nH]2)C1)C1(Cn2cccn2)CC1 67954461 CIURYCNCWNAVSG-CYBMUJFWSA-N 299.378 1.793 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3ccc[nH]3)n2CC1 601043555 CYGONLAUMIQIGE-VIFPVBQESA-N 260.297 1.399 0 50 CDAA C[C@H](O)CN1CCN([C@H](C)c2cccnc2)C[C@H]1C 252475108 SRZSJHATCWPYQU-HZSPNIEDSA-N 263.385 1.530 0 50 CDAA CCn1nccc1CCN1CCO[C@H](c2nccs2)C1 253421348 VANPZPPGLSKWKM-ZDUSSCGKSA-N 292.408 1.976 0 50 CDAA C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@@]2(F)CCNC2)C1 252671451 VUQJPRZUQYDKFM-MLGOLLRUSA-N 291.370 1.807 0 50 CDAA CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 261887 VPXRIBOJICTEAH-PWSUYJOCSA-N 285.365 1.773 0 50 CDAA biogenic Cc1nc2nnc3c(=O)n(-c4ccccc4C)ccc3n2n1 72442169 IKPZFTYKDIDEEZ-UHFFFAOYSA-N 292.302 1.440 0 50 CDAA Cc1cc(NCc2nnc(C)o2)n2nc(C)cc2n1 72458079 LIFIOMGGBXZSAW-UHFFFAOYSA-N 258.285 1.650 0 50 CDAA COC(=O)c1coc(=O)c2cc(OC)c(OC)cc12 149772727 TUZNCNKIMLFQLX-UHFFFAOYSA-N 264.233 1.597 0 50 CDAA O=C(Nc1cnccn1)c1cccc(OCC(F)F)n1 125607661 DUMBNYYDNNEGIS-UHFFFAOYSA-N 280.234 1.768 0 50 CDAA C[C@@H](CC(=O)N(C)c1ccccn1)N1CCCCC1=O 331263463 NUJRYXQEPBAKIJ-LBPRGKRZSA-N 275.352 1.836 0 50 CDAA CC1(CNC(=O)c2ccc3[nH]c(=O)[nH]c3n2)CCCC1 282992901 HTBJZKWELUNSOT-UHFFFAOYSA-N 274.324 1.561 0 50 CDAA CC(C)c1nccc(CN(C)CCn2cccn2)n1 215796525 SHNYIVHDOUTFTI-UHFFFAOYSA-N 259.357 1.929 0 50 CDAA CNC(=O)c1cc(C)ccc1NC(=O)c1ncccc1O 127490021 SSPHEOKJJZIWKI-UHFFFAOYSA-N 285.303 1.708 0 50 CDAA C[C@H](Oc1cccc(CO)c1)C(=O)N1CCCOCC1 372361613 RKYQZIDTIGOCBL-LBPRGKRZSA-N 279.336 1.195 0 50 CDAA COc1ccccc1C[C@@H](C)NN1CCOCC1 214343372 JUDKJAHXPKRQPK-GFCCVEGCSA-N 250.342 1.463 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2sccc2OC)C1 128861171 VCERHUAVSXBMOW-SECBINFHSA-N 254.355 1.581 0 50 CDAA 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Cc1cccc(CN(C)Cc2nnc(O)nc2O)c1C 1875273956 NLMRJQRKNUBWNQ-UHFFFAOYSA-N 274.324 1.532 0 50 CDAA O=C(NC[C@@H]1C[C@H]1c1ccco1)c1cc(O)cc(=O)o1 1875272559 GGTUQXLBTHPRCM-WCBMZHEXSA-N 275.260 1.472 0 50 CDAA CCOC(=O)Nc1cccc(C(=O)N[C@H](C)CC(=O)O)c1 1875263643 AGVBPBPPHXGSDY-SECBINFHSA-N 294.307 1.848 0 50 CDAA CC(C)(C)CC(=O)N[C@@H](C(=O)O)c1cscn1 1875311046 LFEMEAZZQBIUNI-SECBINFHSA-N 256.327 1.821 0 50 CDAA C=CC(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1875369791 IEKCWNCHWUQRJX-GHMZBOCLSA-N 268.357 1.982 0 50 CDAA O=C(NCC[C@@H]1CCCCO1)[C@H]1C[C@H]2C=C[C@H]1NC2 888096312 AKVVOHRWIDBSSP-ZOBORPQBSA-N 264.369 1.226 0 50 CDAA Cc1c(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)cnn1C 1775957714 JWHADBCTZNKMIO-QWHCGFSZSA-N 289.339 1.182 0 50 CDAA CS(=O)(=O)C1(C(=O)Nc2ccc(C(=O)O)cc2)CCC1 263084130 HFAOWWFNLQWYMO-UHFFFAOYSA-N 297.332 1.291 0 50 CDAA O=C(O)C[C@H](NC(=O)N1CCOCC1)c1ccccc1 40524124 TWLMQOLRCAXEKN-LBPRGKRZSA-N 278.308 1.244 0 50 CDAA O=C(c1ccncc1)N1CCN(Cc2ccco2)CC1 54992018 TYJIUPGQSKNDSN-UHFFFAOYSA-N 271.320 1.633 0 50 CDAA COc1cc(NC(=O)C[C@H]2CCOC2)ccc1C(=O)O 401360046 DTPJWRHUBPQDEO-SECBINFHSA-N 279.292 1.759 0 50 CDAA CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](O)CC1 332277396 FMBKFZWLTDPVOM-CYBMUJFWSA-N 290.429 1.343 0 50 CDAA C[C@@H]1C[C@H](O)CN(C(=O)c2ccncc2Cl)C1 335101075 WTDLLLHKXMIVRU-BDAKNGLRSA-N 254.717 1.578 0 50 CDAA COCC1(CNC(=O)[C@H]2CC[C@@H](N)C2)CCCC1 584902120 BGZKPFHFONEFRS-NWDGAFQWSA-N 254.374 1.437 0 50 CDAA Cn1nc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1C(F)F 934950329 CMICVPJKLUKVDR-XVKPBYJWSA-N 273.283 1.391 0 50 CDAA O=C(C[C@H]1CCc2ccccc2N1)NC[C@H]1CNC(=O)O1 2325795463 HCFZZOULKUQRII-NEPJUHHUSA-N 289.335 1.028 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)c1cc[nH]c(=N)c1 2325864227 JMOJRGWNUDKHTF-UHFFFAOYSA-N 274.280 1.170 0 50 CDAA CN(C)c1cccnc1C(=O)Nc1cnn2c1CCCC2 913666709 INSLYCPVBMOTFO-UHFFFAOYSA-N 285.351 1.933 0 50 CDAA COc1cccc(OCCc2nnc(N)s2)c1 4966601 YMWTVIPFTLZFOC-UHFFFAOYSA-N 251.311 1.750 0 50 CDAA CCOc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 6697131 IBTXOLDWAIWCPU-LLVKDONJSA-N 298.364 1.394 0 50 CDAA O=C(N(CC(F)F)[C@@H]1CCCNC1)C(F)(F)F 1535631974 JYGADYUUSKLSMN-ZCFIWIBFSA-N 260.206 1.394 0 50 CDAA Cn1nccc1CCN1C[C@@H](O)C[C@H]1c1cccc(F)c1 225787046 IXIJUFKGMFROOI-HOTGVXAUSA-N 289.354 1.910 0 50 CDAA COC(=O)c1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)o1 100639504 DLCVRBKLVKDPFR-GHMZBOCLSA-N 291.303 1.741 0 50 CDAA CCN1CC[C@@H](CNC(=O)[C@H]2COc3ccccc32)C1 247210729 LYYGCMDCHYBDDY-JSGCOSHPSA-N 274.364 1.621 0 50 CDAA C[C@H](CCc1ccccc1)N1CCN(S(C)(=O)=O)CC1 54967125 YTAUQTFUAAIMHX-CQSZACIVSA-N 296.436 1.585 0 50 CDAA COC(=O)c1ccc(C(=O)NC[C@H]2CCCCO2)nc1 20210424 OYWCVZHKVNTGJI-LLVKDONJSA-N 278.308 1.167 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)N1CCC(OC2CCCC2)CC1 262586646 GTFFXZIWHYKPDB-OLZOCXBDSA-N 281.352 1.657 0 50 CDAA O=C(c1ccc(Cl)nn1)N1CCS[C@@H]2COCC[C@H]21 252508284 XJGJEABVKNGFOB-NXEZZACHSA-N 299.783 1.477 0 50 CDAA Cc1nonc1C(=O)N1Cc2cnc(CC(C)C)nc2C1 67712977 CIOMXHYKULAFRG-UHFFFAOYSA-N 287.323 1.523 0 50 CDAA Cc1ccn2cc(C(=O)N3CCc4[nH]ncc4C3)nc2c1 32519469 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ROVMYGMFNKHYGJ-SECBINFHSA-N 275.295 1.689 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccon2)c1 282432904 JCAIFARDNKTQGG-SMDDNHRTSA-N 288.303 1.631 0 50 CDAA O=S(=O)(CC1CC1)N1CCOC[C@H](C2CCC2)C1 366215190 BOOVVLMATBWNJA-CYBMUJFWSA-N 273.398 1.475 0 50 CDAA Cc1cc(S(=O)(=O)NCCCCCO)c(F)cc1F 241287104 LJYMSWOOHSATGL-UHFFFAOYSA-N 293.335 1.714 0 50 CDAA COC[C@@H]1CCCCN1Cc1c(C)nn(CCO)c1C 216057630 HPCJCDVLMODZRF-AWEZNQCLSA-N 281.400 1.493 0 50 CDAA c1cc(CN2CCN([C@H]3CCNC3)CC2)cs1 261557489 RUNNHIZYJXKICE-ZDUSSCGKSA-N 251.399 1.228 0 50 CDAA Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@H](N)C2)n1 158560929 GPFQATOESZZXER-VXGBXAGGSA-N 250.346 1.011 0 50 CDAA O=C(Cc1noc([C@@H]2C[C@@H]2C2CC2)n1)N1CCCC1 333212082 PWCXBHKKMRNJEL-GHMZBOCLSA-N 261.325 1.748 0 50 CDAA O=C([C@H](O)c1ccccc1)N1CCC2(CCOC2=O)CC1 371148589 NIVVKYKZMUBRNU-CYBMUJFWSA-N 289.331 1.276 0 50 CDAA O=C(Nc1nccs1)[C@@H]1CCCN1Cc1ccon1 158132712 UZBZCYBJGVGMNP-JTQLQIEISA-N 278.337 1.734 0 50 CDAA O=C(Cc1ccccc1)N[C@H](C(=O)O)[C@@H]1CCCOC1 262749358 JTXSRHJBEOSIFQ-OCCSQVGLSA-N 277.320 1.225 0 50 CDAA NCCn1cc(C(=O)NCCSC2CCCCC2)nn1 77287349 ZMYQNICGGOGGHI-UHFFFAOYSA-N 297.428 1.033 0 50 CDAA CC1(C)CC[C@H](C(=O)N2CCC[C@@]3(CCOC3)C2)O1 335040694 COBPWXYGCNXBFT-IUODEOHRSA-N 267.369 1.973 0 50 CDAA NC(=O)c1ccccc1-c1nccc(N2CCC[C@@H](O)C2)n1 215894359 LLEJNHSHPSFYEL-LLVKDONJSA-N 298.346 1.204 0 50 CDAA CCCn1cnnc1Cn1ccnc1-c1cccnc1 71747079 GRFNUWLBNUWUKI-UHFFFAOYSA-N 268.324 1.995 0 50 CDAA CN(Cc1nnc[nH]1)C(=O)C[C@H]1CCOc2ccccc21 174176532 UGQCXPJTXZVTBL-LLVKDONJSA-N 286.335 1.720 0 50 CDAA O=C(c1ccc(CN[C@@H]2CCCNC2)cc1)N1CCCC1 71278753 WRWFNNINSCENTH-MRXNPFEDSA-N 287.407 1.764 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cc[nH]c2C)N(C)C1 285059417 JVOGVYJOKOVIOZ-RYUDHWBXSA-N 265.357 1.114 0 50 CDAA COc1cccc(CC(=O)N[C@H]2CCCSC2)n1 338829447 HUTHMNOVGVXIKQ-NSHDSACASA-N 266.366 1.645 0 50 CDAA O=C(NCCNC1CCCCCC1)[C@@H]1CCCCN1 131945085 FUWYPGTYJRLVOM-AWEZNQCLSA-N 267.417 1.557 0 50 CDAA CC(C)(C)c1nn(CCCNC(=O)C2CCCC2)c(=O)o1 132194080 HEIRQHOWULCUSZ-UHFFFAOYSA-N 295.383 1.830 0 50 CDAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cncn2C)C1 177271087 WSPGUDKBQVTECW-UONOGXRCSA-N 292.427 1.937 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CCCNC2=O)n1C(F)F 426734164 TUPYWPQAJMPZOF-QMMMGPOBSA-N 271.267 1.200 0 50 CDAA CN(C)CCCNC(=O)C1=CN(C)/C(=C/N=O)C=C1 136471126 GYIDKOGHDPYABU-FMIVXFBMSA-N 264.329 1.048 0 50 CDAA C[C@@]1(NC(=O)c2cc(F)c(F)c(F)c2F)CCOC1=O 291352774 AHURKQLNKPNWMU-GFCCVEGCSA-N 291.200 1.678 0 50 CDAA C[C@@H](C(=O)NCC1(O)CCN(C)CC1)c1ccc(O)cc1 223620493 DEDIRSYPRHSEOF-GFCCVEGCSA-N 292.379 1.069 0 50 CDAA COc1csc(C(=O)N[C@]2(C(=O)O)CCSC2)c1 161382571 ANXHAAYBCLLGBP-LLVKDONJSA-N 287.362 1.447 0 50 CDAA C[C@@]1(C(=O)NCCc2noc(C3CC3)n2)CCCO1 426544737 IRBSWGJIYNPSDZ-ZDUSSCGKSA-N 265.313 1.175 0 50 CDAA CCOC(=O)COc1ncc(Br)cn1 144025897 ZJSYJWWREUOLMC-UHFFFAOYSA-N 261.075 1.181 0 50 CDAA c1ccc(-n2nnnc2N2CCC[C@@]3(CCOC3)C2)cc1 95374517 GNSWBSFBSWADNU-OAHLLOKOSA-N 285.351 1.669 0 50 CDAA CC1(C)CNC(=O)c2nc([C@@H]3CCCOC3)[nH]c2C1 95388222 WBUVOTPFWYNHJM-SECBINFHSA-N 263.341 1.616 0 50 CDAA C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc(OCC(=O)O)cc1 621539936 DEUNGYAZTHDTFW-BONVTDFDSA-N 293.319 1.447 0 50 CDAA CCc1nnc(CNC(=O)CC2CCN(CC)CC2)s1 95530952 QGMJMBADTSKEQU-UHFFFAOYSA-N 296.440 1.839 0 50 CDAA CCn1ccnc1C1CCN(C(=O)[C@@H]2CCN(C)C2)CC1 97775451 GSFXEYFTSOGJQV-CQSZACIVSA-N 290.411 1.561 0 50 CDAA Cc1nccc(C2CCN(c3ncncc3C(=O)O)CC2)n1 95378159 QTTOEKRUJKJZQQ-UHFFFAOYSA-N 299.334 1.657 0 50 CDAA O=C(Nc1cccnc1Cl)N1CCOC[C@@H](CO)C1 95517435 ORQNDEGJHXDQAI-SECBINFHSA-N 285.731 1.208 0 50 CDAA CC[C@@H](C(=O)N1CCN(c2cccnc2)CC1)n1cccn1 91860003 XVEQNHHFMKVTJA-HNNXBMFYSA-N 299.378 1.578 0 50 CDAA Cc1cc(NCc2cc(C(C)(C)C)[nH]n2)nc(N)n1 91906516 OIZAYTAZGWLSLL-UHFFFAOYSA-N 260.345 2.000 0 50 CDAA C[C@H]1CN(C)C[C@@H](C)N1C(=O)C[C@H]1CSCCS1 245339213 RFGFFKOVVZHFNM-TUAOUCFPSA-N 288.482 1.776 0 50 CDAA CC[C@@H](NC(=O)CN(C)CCOC)c1ncccc1C 534653322 CIAGVFKEJZYSDD-CYBMUJFWSA-N 279.384 1.536 0 50 CDAA O=C1CCC2(CCN1)CCN(CCn1cccn1)CC2 299796186 OFGFLGAKJBHNLQ-UHFFFAOYSA-N 276.384 1.265 0 50 CDAA Cc1cccc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 299766997 GPPPWRJDEZABPJ-GJZGRUSLSA-N 285.351 1.327 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(F)cc1F 299756430 IEGNIGJLNYSGIE-RYUDHWBXSA-N 286.278 1.890 0 50 CDAA CC[C@@H](C(=O)NCc1ccc(O)cc1)N(C)CC 822555771 KACKJRWZKRWFDU-ZDUSSCGKSA-N 250.342 1.739 0 50 CDAA CN(C)CC(C)(C)CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076049961 YVUPCVCRLZRFFY-KGLIPLIRSA-N 293.415 1.012 0 50 CDAA Cc1cc(C[C@@H](C)n2cnc3ccncc3c2=O)n[nH]1 584903428 LFTRESUQAHAOBM-SNVBAGLBSA-N 269.308 1.627 0 50 CDAA Cc1c[nH]c(C(=O)N2CCN(CC(F)(F)F)CC2)n1 584886574 XXBIITIFPHWWIZ-UHFFFAOYSA-N 276.262 1.038 0 50 CDAA COCCN(C)CC(=O)N1CC[C@H](C2CCCCC2)C1 584898429 CZMCWGVIFQKVCH-HNNXBMFYSA-N 282.428 1.993 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CCc2nncn2C)cs1 670454414 OVANNWYRTLCOCX-MRVPVSSYSA-N 279.369 1.390 0 50 CDAA c1cncc(O[C@H]2CCN(Cc3csnn3)C2)c1 131352074 KSDOUAWJTCYSNO-LBPRGKRZSA-N 262.338 1.586 0 50 CDAA Cc1cc(C)n(CCCN(C)Cc2c[nH]nc2C(=O)O)n1 670469274 MHNFRWRTESTDGT-UHFFFAOYSA-N 291.355 1.443 0 50 CDAA CC(=O)CC1(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)CCC1 1412683730 DUNKKAIVZVCKMS-GFCCVEGCSA-N 294.351 1.189 0 50 CDAA CC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 685945203 SEUGCZVKZLGKQQ-HZPDHXFCSA-N 286.375 1.871 0 50 CDAA O=C(O)[C@@H](F)[C@@H]1CCN(C(=O)C2CCCCC2)C1 1517366602 ZTBVUVOCWBMTEH-MNOVXSKESA-N 257.305 1.838 0 50 CDAA CCC[C@]1(CO)CCN(c2cccc(C)n2)C[C@H]1O 1529153928 WTARPVNMJQVEKS-UKRRQHHQSA-N 264.369 1.740 0 50 CDAA CCC[C@]1(CO)CCN(Cc2cccnc2)C[C@H]1O 1529191243 VNSFSTDJJLVRMM-HUUCEWRRSA-N 264.369 1.427 0 50 CDAA Nc1c(C(=O)C(=O)O)ccc(Br)c1F 1384380898 YMAUWUUBQZRFAS-UHFFFAOYSA-N 262.034 1.438 0 50 CDAA CC[C@@H](C(=O)N(C)Cc1cc(C)on1)N(C)CC 952979247 ZPOUSNGFBUOMAX-LBPRGKRZSA-N 253.346 1.672 0 50 CDAA CC(C)c1nc([C@@H]2CCCCN2Cc2nncn2C)n[nH]1 408473737 OXGMKHZGGXSWMC-NSHDSACASA-N 289.387 1.784 0 50 CDAA CCOC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 408517905 OOVDAYPLLGRWBJ-STQMWFEESA-N 254.374 1.213 0 50 CDAA CC(C)[C@H](NCc1cnc(N(C)C)nc1)C(C)(C)O 276654798 UUNNAFYRJYSCAX-LBPRGKRZSA-N 266.389 1.428 0 50 CDAA COCCNC(=O)c1[nH]cnc1C(=O)c1ccccc1 170600131 FZRWIBUNTROMKD-UHFFFAOYSA-N 273.292 1.017 0 50 CDAA Cc1cccc(C)c1NC(=O)N[C@H]1C(=O)NCC1(C)C 585120058 LXUKBZGSRFRIKR-LBPRGKRZSA-N 275.352 1.950 0 50 CDAA CCn1ncc2ncn(CC(=O)C(C)(C)C)c(=O)c21 585118733 ZWBIQBSAAZCMQR-UHFFFAOYSA-N 262.313 1.228 0 50 CDAA Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1CCCO[C@@H]1C 188504159 NZUUEUIKXZUNDY-TZMCWYRMSA-N 279.384 1.511 0 50 CDAA CCO[C@H]1C[C@H](NCc2c[nH]c(=N)[nH]c2=N)C12CCCC2 638705737 QIMULVPUTLRXFF-RYUDHWBXSA-N 291.399 1.129 0 50 CDAA C[C@@H]1CCCN1C(=O)Cc1ccc(-n2cnnc2)cc1 563881457 IYKHAHHCZCIIOB-GFCCVEGCSA-N 270.336 1.821 0 50 CDAA NC(=O)N1CCCN(Cc2cc(Cl)cs2)CC1 194366837 NUQPJQZUACSRBE-UHFFFAOYSA-N 273.789 1.988 0 50 CDAA CC[C@@H]1CCCN1C(=O)c1ccc2oc(O)nc2n1 668086992 XSLAOSQZGHAIAI-MRVPVSSYSA-N 261.281 1.943 0 50 CDAA N[C@@H]1CN(Cc2cc(CO)ccc2F)CC12CCC2 1615057522 HWQGONIWXRGTCG-CQSZACIVSA-N 264.344 1.631 0 50 CDAA Cc1cnn(-c2cccc(N3CCN[C@H](C)C3)n2)c1 1615049399 QVOLJMVZKPQYGR-GFCCVEGCSA-N 257.341 1.374 0 50 CDAA Cc1nonc1Cn1cnc2c(C)csc2c1=O 222226084 KSEFPPCKMTUCCK-UHFFFAOYSA-N 262.294 1.506 0 50 CDAA CCN(CCn1cccn1)c1ncc(F)c(OC)n1 1529198599 FCFILCCIFAGIIP-UHFFFAOYSA-N 265.292 1.347 0 50 CDAA Cc1nc(N)ncc1C(=O)N(C)C1CCSCC1 223431933 WHHTXEUNGSPZNL-UHFFFAOYSA-N 266.370 1.335 0 50 CDAA CC(C)[C@@H](CNc1cc2nncn2c(N)n1)N1CCCC1 1529168007 UAGMRNRODKYAGK-LLVKDONJSA-N 289.387 1.239 0 50 CDAA CCN(CCO)C(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 467396 QQHIIVUOYFMFFW-LSDHHAIUSA-N 267.369 1.613 0 50 CDAA biogenic O=C(Nc1c[nH]nc1-c1nccs1)[C@@H]1CCCO1 333682997 IJVHVCOJKKQHPE-QMMMGPOBSA-N 264.310 1.651 0 50 CDAA COc1cc(F)ccc1CN(CCO)Cc1[nH]cnc1C 1704312104 ZXZDFTIVYYWNJN-UHFFFAOYSA-N 293.342 1.860 0 50 CDAA O=C1CN(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccccc1 1058245 FFBIEQYGWLQSSR-OAHLLOKOSA-N 294.310 1.857 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CC2=CCCC2)CC12CCOCC2 1800411850 PPCIUMIOXYBEST-CYBMUJFWSA-N 293.363 1.827 0 50 CDAA CCOC(=O)c1[nH]nc(N)c1-c1cccc(OC)c1 4809987 VHAAUCJBDGRTKU-UHFFFAOYSA-N 261.281 1.844 0 50 CDAA CC[C@@H]1[C@@H](C)CCN1CC(=O)N1CCO[C@@H](C)C1 230241740 YLGTWCIERSEJTK-RWMBFGLXSA-N 254.374 1.354 0 50 CDAA Cc1cccc(CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)n1 1772812142 BRALSMCJQKULAE-OCCSQVGLSA-N 259.353 1.300 0 50 CDAA CC(C)(C)CN1CCC[C@](O)(CN2CCCO2)C1=O 12299440 VRHKHTLWHAQPLT-AWEZNQCLSA-N 270.373 1.023 0 50 CDAA CN(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 16626135 NITJPSVIFCWIHW-UHFFFAOYSA-N 266.366 1.689 0 50 CDAA c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1 19537374 OQDPVLVUJFGPGQ-UHFFFAOYSA-N 298.346 1.528 0 50 CDAA investigational Cc1cccc(NC(=O)C[C@@H](C(=O)O)N2CCOCC2)c1 5041324 TYMTWRGZZIQNPB-ZDUSSCGKSA-N 292.335 1.109 0 50 CDAA COc1ccccc1N(C(C)=O)[C@@H]1C=CS(=O)(=O)C1 1236230 GIHHAEKBSZAURW-LLVKDONJSA-N 281.333 1.359 0 50 CDAA O=C(Oc1cccc(-c2nnco2)c1)N1CCOCC1 4487266 ZTZXSQSVNAXEHW-UHFFFAOYSA-N 275.264 1.568 0 50 CDAA CN1C(=O)N(C)C2(CCN([C@@H]3CCC(C)(C)C3)CC2)C1=O 1857673997 WPFWWDIGXZXBCY-GFCCVEGCSA-N 293.411 1.924 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)c1nc(Cl)n(C)n1)C1CC1 1857684129 ZYQZVYSPBFNLMC-QMMMGPOBSA-N 294.746 1.083 0 50 CDAA Cc1noc([C@@H]2CN([C@@H](CC(C)C)C(=O)O)CCN2C)n1 629487946 FCILCNLURJRAPC-RYUDHWBXSA-N 296.371 1.166 0 50 CDAA C[C@H](NC(=O)c1ccn(-c2cccc(F)c2)n1)C(=O)O 237489316 QJJSTWUVTPGVOL-QMMMGPOBSA-N 277.255 1.214 0 50 CDAA O=C(O)C1(C(=O)N[C@H]2COc3cc(F)cc(F)c32)CC1 372886770 ZKNGXMXLFXFZKK-QMMMGPOBSA-N 283.230 1.379 0 50 CDAA O=C(O)c1cccc(CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)c1 262152706 JSMDXJGGNOGZOE-MGPQQGTHSA-N 289.331 1.611 0 50 CDAA COc1ccc(C(=O)NC2(C(=O)O)CCC2)cc1F 164862142 SBIRIMIOJSFQSN-UHFFFAOYSA-N 267.256 1.571 0 50 CDAA Cc1nc2ccc(N(C)Cc3c(C)noc3C)nn2n1 804344393 IKKPIYLOCVEUCP-UHFFFAOYSA-N 272.312 1.674 0 50 CDAA CCOCc1nc(C)cc(N2CCO[C@@H](CCF)C2)n1 928995663 GEJDFALUCZZVTG-LBPRGKRZSA-N 283.347 1.886 0 50 CDAA C=CC(=O)NCCC(=O)N[C@H](C)c1cccc(C)c1 837169416 QIRYSMVCGIRTDB-GFCCVEGCSA-N 260.337 1.865 0 50 CDAA CCN1CCCN(c2nc(N)nc(C3CCCC3)n2)CC1 865528661 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O=S(=O)(C[C@@H]1C[C@@H]2CCCC[C@@H]21)NCCn1ccnc1 1875288508 IQRWXZMZHZEPFE-IHRRRGAJSA-N 297.424 1.629 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]3C[C@H](O)CC[C@H]32)on1 1875307285 MLVSVWONFVKGTQ-IJLUTSLNSA-N 264.325 1.749 0 50 CDAA C[C@H](NC(=O)[C@H]1CNCC12CCCCC2)C(C)(C)N 1875328541 XRAKTJNEOCAIDA-NWDGAFQWSA-N 267.417 1.398 0 50 CDAA NC(=O)c1ccc(CC(=O)Nc2cccn3nccc23)cc1 1875349519 AIZIFFUTNVHPOL-UHFFFAOYSA-N 294.314 1.614 0 50 CDAA COc1cc(CN2CCNCC2)c(F)cc1Cl 1875303639 GSIJDGFHAWNEBI-UHFFFAOYSA-N 258.724 1.893 0 50 CDAA Cn1nc2c(c1C(=O)N1CC(Cc3ccoc3)C1)CCC2 890576313 BGFWWRYXIPPGND-UHFFFAOYSA-N 285.347 1.817 0 50 CDAA COc1ccc(F)c(CN2CC(C)(C)O[C@@H]3COC[C@H]32)n1 1776002640 OPRLNIIMRUAGOB-CHWSQXEVSA-N 296.342 1.608 0 50 CDAA CN(CC(=O)O)C(=O)c1ccncc1C(F)(F)F 263578767 SZRUJFOLTRVHNR-UHFFFAOYSA-N 262.187 1.257 0 50 CDAA Cc1nc(C2CCN(C[C@@H]3CCOC3)CC2)no1 97797420 BEKBOYCKIMGMEJ-NSHDSACASA-N 251.330 1.594 0 50 CDAA CO[C@@]1(CO)CCCN(C(=O)NCc2ccccc2)C1 401886335 KSIXLYQHONMSQF-HNNXBMFYSA-N 278.352 1.370 0 50 CDAA O=C(O)c1cccc(C(=O)N2CCO[C@H](C3CC3)C2)c1 426470650 NULKIDCZCUJIST-ZDUSSCGKSA-N 275.304 1.636 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCCCC1)[C@H]1CCOC1 630265878 WAKUGFSMHRYLOO-NWDGAFQWSA-N 269.341 1.420 0 50 CDAA CC[C@@]1(O)CCN(C(=O)c2ccc3n[nH]cc3c2)C1 336118329 SBXFHQRZDUBPED-CQSZACIVSA-N 259.309 1.550 0 50 CDAA COc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 111168 LNGQSIFKSWPQHF-UHFFFAOYSA-N 298.408 1.410 0 50 CDAA CN(Cc1cnccn1)Cc1ccc(C(N)=O)s1 2325719779 OTAOMHUXWJAVRQ-UHFFFAOYSA-N 262.338 1.269 0 50 CDAA O=C(O)Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cn1 901695083 XKBPGPUXEMVAHT-WDEREUQCSA-N 291.332 1.771 0 50 CDAA Cn1nccc1[C@@H]1CCCCN1c1nc(C(=O)O)co1 910378142 HRALTPAFBVAHGX-NSHDSACASA-N 276.296 1.838 0 50 CDAA C[C@@H]1CC(NC(=O)c2cc[nH]c(=O)c2)C[C@@H](C)O1 123111252 VLTINZYTUIIMHF-RKDXNWHRSA-N 250.298 1.061 0 50 CDAA CC(=O)Oc1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 30105 BDJMJGKXSFGPPK-QWRGUYRKSA-N 277.320 1.861 0 50 CDAA CC(=O)N(C(C)=O)n1c(C(C)C)nc2ccccc2c1=O 57079 PBWKVEBFTVIGAR-UHFFFAOYSA-N 287.319 1.551 0 50 CDAA C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)O)c2)C[C@@H](C)O1 60882 SHIDBEVAWHWDFA-NXEZZACHSA-N 299.348 1.183 0 50 CDAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc(OC)cc1 81267 UEINHOJEXGUNBB-LBPRGKRZSA-N 275.304 1.746 0 50 CDAA CCOc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1 128653 WHCOCRPZHNFYOF-WDEREUQCSA-N 253.323 1.874 0 50 CDAA Cn1cnnc1SCC(=O)N1CCc2ccccc21 269727 QNIXRLGNXDWEPP-UHFFFAOYSA-N 274.349 1.497 0 50 CDAA COc1cc(CN(C)C2CCN(C)CC2)cc2c1OCO2 216558 XYUUKVRNWVQZFN-UHFFFAOYSA-N 292.379 1.950 0 50 CDAA Cc1nnc2c(N3CCOCC3)nc3ccccc3n12 236472 BBHRGNVJEVZTOD-UHFFFAOYSA-N 269.308 1.423 0 50 CDAA CS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 254863 UKDQQMUWOMVLCG-UHFFFAOYSA-N 268.743 1.147 0 50 CDAA CCc1c(C)sc(NC(=O)[C@H]2CCCO2)c1C(N)=O 442333 CBRIKAZQPJWNOH-SECBINFHSA-N 282.365 1.835 0 50 CDAA CCCCNC(=O)C(=O)NCc1ccccc1Cl 2338485 XVGYMQDJOPDKGJ-UHFFFAOYSA-N 268.744 1.873 0 50 CDAA N[C@H](Cc1ccc(Br)s1)C(=O)O 2529148 LKORPMMOJAJYLC-RXMQYKEDSA-N 250.117 1.465 0 50 CDAA Cc1nn(C)c2c1[C@H](Nc1ncc3c(ncn3C)n1)CCC2 2356139148 CCOHGKQYTSSIFE-SNVBAGLBSA-N 297.366 1.895 0 50 CDAA O=C(O)CSCC(=O)NCc1ccccc1Cl 2557495 MWFKAGWQAPBSSY-UHFFFAOYSA-N 273.741 1.774 0 50 CDAA COc1ccc(OCCCN2C(=O)NC(C)(C)C2=O)cc1 2844567 HOCBHRAHLKMKJM-UHFFFAOYSA-N 292.335 1.795 0 50 CDAA O=C(NCc1ccco1)C(=O)Nc1ccc2c(c1)OCO2 2967969 PLGJJHXRZORJJY-UHFFFAOYSA-N 288.259 1.263 0 50 CDAA O=C(NN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 4805547 SXYOVUQQDCOYFO-UHFFFAOYSA-N 279.384 1.502 0 50 CDAA COc1ccc(CC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 6731949 DGZVKKXGNVMJEZ-SMDDNHRTSA-N 263.337 1.921 0 50 CDAA COC(=O)[C@@H](C)N(C)C(=O)[C@H]1CCc2ccccc21 225476160 ULWUPPNBTWARNZ-MFKMUULPSA-N 261.321 1.736 0 50 CDAA Cc1ncc(C(=O)N2CCC[C@@H]([C@@H](C)N)C2)s1 226265796 BEBNTWUBIORUNI-PSASIEDQSA-N 253.371 1.651 0 50 CDAA CO[C@H]1C[C@@H](CN(C)c2ccnc3ccncc23)N(C)C1 343883381 UZUBXQTXJZTKJX-STQMWFEESA-N 286.379 1.785 0 50 CDAA Cc1cccc(N(CCCC(=O)O)S(C)(=O)=O)c1C 113879091 WYSLZZDPBHQXAU-UHFFFAOYSA-N 285.365 1.934 0 50 CDAA CONC(=O)C(=O)Nc1cc(Br)ccc1C 134755651 KVMILRTYEVKGPR-UHFFFAOYSA-N 287.113 1.374 0 50 CDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@H]2C[C@@H]21 101043515 KXVWFEGJEZGMMS-CYDGBPFRSA-N 267.288 1.102 0 50 CDAA COc1cc(CN2CCOCC2)cc2c1OCO2 23281403 MUAUIYWDSCJXES-UHFFFAOYSA-N 251.282 1.256 0 50 CDAA CCO[C@H](CC)CNC(=O)c1c(O)cccc1O 67691001 BOHWTVKWKQXCIA-SECBINFHSA-N 253.298 1.643 0 50 CDAA C[C@@H](CCn1cccn1)N1CCn2nc(C(=O)O)cc2C1 65385584 MVQJGONYKKMYSF-NSHDSACASA-N 289.339 1.072 0 50 CDAA COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc1 1074562256 COYHEVKFUFVMOT-YNEHKIRRSA-N 283.349 1.151 0 50 CDAA Cc1cnc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cn1 252515156 HRABKGAOYPWVDS-CYZMBNFOSA-N 275.352 1.671 0 50 CDAA CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H]2COCCO2)C1(C)C 252517401 HQWXAQVHPLTNPI-XQQFMLRXSA-N 267.369 1.756 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2-c2ncccc2C)C1 601044859 RZQDIPFDJSNTEI-JTQLQIEISA-N 272.308 1.384 0 50 CDAA NC(=O)[C@@H]1CCCN1C(=O)Cn1ccc2ccccc21 32103677 WOFSRPWGDXLOST-ZDUSSCGKSA-N 271.320 1.118 0 50 CDAA CCCc1nc(C)c(CN2CC[C@@H](N(C)CCO)[C@H]2C)o1 429160518 HJXDVEHBSRUBEU-ZIAGYGMSSA-N 295.427 1.822 0 50 CDAA COC[C@H]1CCC[C@H]1Nc1nc(C)nc2c1cnn2C 72122342 VHDQLFFYNGEOLF-ZYHUDNBSSA-N 275.356 1.899 0 50 CDAA CCN1CCN(C(=O)c2ncccc2C)C[C@@H]1c1ncc[nH]1 328639208 WSZRCDWNTVGWQC-CYBMUJFWSA-N 299.378 1.632 0 50 CDAA O=C(CCn1ccnc1)N1CCC[C@@H]1c1cc[nH]n1 329122232 WPPQGYAMZPEQBY-GFCCVEGCSA-N 259.313 1.360 0 50 CDAA CC1(C)CN(C(=O)[C@H]2CCC(O)=N2)C[C@@H](C(F)(F)F)O1 329225369 DANKSBOHTLNKQF-SFYZADRCSA-N 294.273 1.674 0 50 CDAA CCc1cc(N[C@H]2CCNC2)n2nc(C)c(C)c2n1 77390598 GGAYBYOQPRKERW-LBPRGKRZSA-N 259.357 1.682 0 50 CDAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CCCOc1ccccc1 219356379 ZKXUIHRGMHTBMW-GJZGRUSLSA-N 292.379 1.291 0 50 CDAA CC(=O)c1cccc(C(=O)NCCCn2ccccc2=O)c1 218857975 DYZAZIZGRRVJNI-UHFFFAOYSA-N 298.342 1.871 0 50 CDAA CN(CCO)c1ccc(-c2ccccc2C(=O)O)nn1 215982682 CFGUADRGMQUOKO-UHFFFAOYSA-N 273.292 1.270 0 50 CDAA CC(C)/C=C/CN1CCC(C(=O)O)(n2ccnc2)CC1 72479589 FDLQDUCYYQVRHV-ONEGZZNKSA-N 277.368 1.971 0 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289.339 1.632 0 50 CDAA CCCN(c1ccc(C(=O)OC)cc1)S(C)(=O)=O 85262434 NKNGTSPDWCXNHK-UHFFFAOYSA-N 271.338 1.649 0 50 CDAA O=C(Nc1ncc(CCO)s1)c1cnc2n1CCC2 614914264 FPKJAPOMSWHHFY-UHFFFAOYSA-N 278.337 1.073 0 50 CDAA CCCC(=O)N1CCC(C(=O)Nc2nncs2)CC1 40456070 USWAMSOZXZOING-UHFFFAOYSA-N 282.369 1.515 0 50 CDAA Cc1csc2c(=O)n(Cc3csc(N)n3)cnc12 222204231 MQGJUXZKWSIBRK-UHFFFAOYSA-N 278.362 1.853 0 50 CDAA COc1ccc(CC(=O)N2CC[C@H](CN)C2)c(Cl)c1 299739978 UJDWQKMABMGFJI-SNVBAGLBSA-N 282.771 1.698 0 50 CDAA CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@H](C)C(=O)O)C1 299751756 RPACOMMOAJFTIR-QJPTWQEYSA-N 270.373 1.476 0 50 CDAA COc1ccc(CC(=O)N(C)[C@@H]2CCNC2)c(Cl)c1 299740262 XRFWEQXNWPDKCZ-LLVKDONJSA-N 282.771 1.711 0 50 CDAA COC(=O)c1cccc(Br)c1C(=O)O 137138120 RVJZCJPXZZKUNU-UHFFFAOYSA-N 259.055 1.934 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCCc1cnn(C)c1 426518712 FYQKRNUZGYBANS-LLVKDONJSA-N 275.356 1.235 0 50 CDAA COCC(=O)N[C@H](Cn1ccnc1)c1ccccc1 221197427 ZUQJTEMYHYUNDT-CYBMUJFWSA-N 259.309 1.387 0 50 CDAA C[C@H](C(=O)N1CCOc2c(Cl)cccc21)n1cncn1 177762870 LYMWWZNXLOGMAE-SECBINFHSA-N 292.726 1.918 0 50 CDAA Cc1csc([C@H](C)NC(=O)c2csc(N)n2)n1 80272537 JWPXTFBZVAUOHD-LURJTMIESA-N 268.367 1.981 0 50 CDAA Cc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)cnn1C 426379759 NYQYYQLWCQLFMV-UHFFFAOYSA-N 279.365 1.646 0 50 CDAA CCS(=O)(=O)NC[C@@H]1COc2ccccc2C1 49126535 IRMXLOAXXJUVOK-SNVBAGLBSA-N 255.339 1.177 0 50 CDAA CC(C)(CO)NC(=O)c1ccc(-c2ncccn2)cc1 426378219 QMIRMGFTLUPXEY-UHFFFAOYSA-N 271.320 1.644 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 141839890 MPBLVPMGVIUHFH-FHIRATQRSA-N 299.326 1.096 0 50 CDAA CN(C(=O)c1ccc(N2CCCC2)c(F)c1)[C@@H]1CCNC1 179103716 BYFSIFZUFVPXIE-CYBMUJFWSA-N 291.370 1.860 0 50 CDAA COCCn1ccnc1[C@H]1CCCN(c2cnccn2)C1 95512918 VANIDPQRIUCDOB-ZDUSSCGKSA-N 287.367 1.704 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CC[C@@H](N)C2)n(Cc2ccccn2)n1 237813805 JSEDGYXWOHPTJI-CHWSQXEVSA-N 299.378 1.701 0 50 CDAA CCCN(CCOC)C(=O)[C@@H](C)n1ccnc1C 426624704 BOSJTUAABNLKJG-LLVKDONJSA-N 253.346 1.638 0 50 CDAA Cc1c(CC(=O)N(C)C[C@H]2CCCN(C)C2)cnn1C 292860352 RCGSILGVMPSZRX-ZDUSSCGKSA-N 278.400 1.071 0 50 CDAA C[C@H](Cn1cncn1)NC(=O)Nc1ccc2c(c1)COC2 92163079 DMLRDXRRLDHTJS-SNVBAGLBSA-N 287.323 1.519 0 50 CDAA NC(=O)[C@H]1CCCCN1C(=O)CCc1ccc2[nH]ccc2c1 179765891 LRRPJJITHABZKX-OAHLLOKOSA-N 299.374 1.967 0 50 CDAA CNC(=O)c1ccc(C)c(NC(=O)c2cncn2C)c1 335134148 KUDOGCLLUSDHEW-UHFFFAOYSA-N 272.308 1.340 0 50 CDAA CN1CC[C@]2(CCN(C(=O)c3ocnc3C3CC3)C2)C1 293871278 LGFWFRNHLFJDTJ-HNNXBMFYSA-N 275.352 1.720 0 50 CDAA CCN1CCC[C@H](NC(=O)c2cnc(C)nc2C)C1 180278758 RJBZJEZKLJSBGH-LBPRGKRZSA-N 262.357 1.308 0 50 CDAA Cc1ncc(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)c(C)n1 180526001 NOTYEGLOMAIEDN-DZGCQCFKSA-N 277.368 1.764 0 50 CDAA COc1ccccc1CNC(=O)CN(C)CC1(C)COC1 244795508 RHPUHRZHBLCXMM-UHFFFAOYSA-N 292.379 1.280 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)O1 245967140 DXPUNUKAGYDOQH-FDYHWXHSSA-N 253.342 1.724 0 50 CDAA O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCOC1 247489716 LYOVOFCACMPYMH-GXTWGEPZSA-N 292.354 1.947 0 50 CDAA CNC(=O)c1[nH]nc2c1CN(CCCc1ccco1)CC2 252488257 IOGWXTFUDMXNBV-UHFFFAOYSA-N 288.351 1.353 0 50 CDAA C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)[C@@H]1C 183060391 FPCSTTFTHPWYNP-VHSXEESVSA-N 283.349 1.834 0 50 CDAA O=C1NCCN[C@H]1Cc1ccc(-c2cccnc2)cc1 252479012 AZIXHPYHFUKOBP-HNNXBMFYSA-N 267.332 1.379 0 50 CDAA C[C@@H](NC(=O)c1n[nH]cc1Cl)c1nc(C2CC2)no1 534652500 OPYBHICEGYRIKF-RXMQYKEDSA-N 281.703 1.815 0 50 CDAA O=C(Cc1n[nH]c2ccccc12)N1CCC2(CCO2)CC1 374466956 NHIQFMTTZJHXII-UHFFFAOYSA-N 285.347 1.887 0 50 CDAA C[C@@]1(C(=O)NCc2cc(-c3cccnc3)no2)CCCO1 299784026 RZLDRILPSRBFLN-HNNXBMFYSA-N 287.319 1.922 0 50 CDAA CCn1ncnc1[C@@H](NC(=O)CSC)C1CC1 299781851 WMNVDTMJPVPMOI-JTQLQIEISA-N 254.359 1.228 0 50 CDAA CCn1nnc(=NC(=O)c2c[nH]nc2C2CCCCC2)[nH]1 1940196907 DAQRPKWINBSIFO-UHFFFAOYSA-N 289.343 1.138 0 50 CDAA O=C1C[C@H](C(=O)O)Cc2nc(NC(=O)C3CCC3)sc21 299760368 FXLQGRHYQVAOQU-SSDOTTSWSA-N 294.332 1.711 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)Cn1nc3ccccc3n1)CC2 827971523 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KQIHCYDJWKPXDO-KWQFWETISA-N 295.726 1.927 0 50 CDAA CC(C)(CO)C(C)(C)NC(=O)[C@H]1C[C@@]12CCOC2 408233355 TXDXWVAOXSPKCF-QMTHXVAHSA-N 255.358 1.326 0 50 CDAA Cc1nc([C@H]2CCCCN2C(=O)c2c[nH]nc2C)n[nH]1 408469804 RPBWCPDIMXWBCC-LLVKDONJSA-N 274.328 1.512 0 50 CDAA CN(Cc1cccnc1)c1cc(N2CCOCC2)ncn1 278462277 VTAMTYOXEMNEHK-UHFFFAOYSA-N 285.351 1.345 0 50 CDAA CN(c1nc(CN2CCOC[C@H]2C(=O)O)cs1)C1CC1 516932092 AQXYFIXMEWSMOD-NSHDSACASA-N 297.380 1.027 0 50 CDAA O=C(O)[C@H](CNS(=O)(=O)C1CC1)c1ccc(F)cc1 580890638 ONHIGOHLNRNGJY-LLVKDONJSA-N 287.312 1.076 0 50 CDAA CC(C)COCCN1CC[C@@](O)(c2cn(C(C)C)nn2)C1 583614630 AEPGHUZTHQPLMU-HNNXBMFYSA-N 296.415 1.425 0 50 CDAA CC1(C)CN(C(=O)CCCc2nn[nH]n2)[C@@H]2CCC[C@@H]21 635970062 VWRLKOSHLVAUQI-WDEREUQCSA-N 277.372 1.560 0 50 CDAA COC(=O)c1ccc(CN=c2cc(C)nc(C)[nH]2)nc1 585092413 VSZKHYLIUANTRD-UHFFFAOYSA-N 272.308 1.309 0 50 CDAA O=S(=O)(C[C@H]1CCCO1)Nc1cnn2ccccc12 585118896 HCUVQLHHVPIQAF-SNVBAGLBSA-N 281.337 1.255 0 50 CDAA O=C(COC[C@H]1CCCO1)Nc1cc2ccccc2nn1 585125270 MDKAAZQKVFUVPW-GFCCVEGCSA-N 287.319 1.764 0 50 CDAA CC(C)(C)n1nnnc1CNC1(c2ccncc2)CCC1 585116191 KLXHGHMFILRGSZ-UHFFFAOYSA-N 286.383 1.992 0 50 CDAA COCCO[C@@H]1CCN(c2nc(C)cc(OC)n2)C1 681992591 NNWYXJQHAHWGRH-LLVKDONJSA-N 267.329 1.035 0 50 CDAA CC(C)Oc1cccc(C(=O)N(C)CCC(=O)O)n1 683313608 UGICCJTYQKGKNL-UHFFFAOYSA-N 266.297 1.416 0 50 CDAA O=C(NCCc1cnc[nH]1)[C@@H]1Cc2ccccc2S1 78723765 SEKVMIMFDUXPGC-ZDUSSCGKSA-N 273.361 1.785 0 50 CDAA CN(c1ccc(O)cc1)S(=O)(=O)c1ccco1 194207397 ABKFSXWYLMOHDG-UHFFFAOYSA-N 253.279 1.810 0 50 CDAA C[C@H](N)CNC(=O)c1csc(-c2ccccn2)n1 194896859 PMGVNFDHRPLLQP-QMMMGPOBSA-N 262.338 1.282 0 50 CDAA COCc1csc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c1 663054146 KDLHWKZLSIWARA-AXFHLTTASA-N 295.360 1.972 0 50 CDAA COC[C@H]1CCCN(C(=O)c2cn(C)c(O)n2)CC1 1615621454 UWTPKDIHKJGMSS-JTQLQIEISA-N 267.329 1.014 0 50 CDAA CC(C)c1ccsc1C(=O)N1CCO[C@H](C(=O)O)C1 236811720 PCSFAFPFUMJXKQ-JTQLQIEISA-N 283.349 1.797 0 50 CDAA NC1CCC(NC(=O)c2cnn3ccccc23)CC1 226235831 HMIYQYYQFKTEKW-UHFFFAOYSA-N 258.325 1.334 0 50 CDAA CNC(=O)c1cccnc1N1CC(N2CCCCC2)C1 1704341532 WQSFWWQBUSEPFJ-UHFFFAOYSA-N 274.368 1.116 0 50 CDAA O=C(Cn1cccnc1=O)N1CC[C@H]1c1cccs1 1857686510 ZKGKXGDECSROEZ-JTQLQIEISA-N 275.333 1.278 0 50 CDAA CC(C)n1cncc1-c1nccn1[C@@H]1CCN(C)C1=O 1857708449 UYEQGWOCHWLAJK-LLVKDONJSA-N 273.340 1.731 0 50 CDAA S=C(NC[C@@H]1CCCO1)Nc1ccc2c(c1)OCCO2 4999202 VVPSJMGACJKDRY-NSHDSACASA-N 294.376 1.923 0 50 CDAA CCc1nc(N)nc(N[C@H](C)c2ncnn2C)c1C 1772708337 GAUVOKUZZKCRBY-MRVPVSSYSA-N 261.333 1.231 0 50 CDAA OC[C@]12CNC[C@H]1CN(CCCOc1ccc(F)cc1)C2 1772710811 WRMMOBREASERSA-XJKSGUPXSA-N 294.370 1.108 0 50 CDAA COc1cccc([C@H]2NCCc3nc[nH]c32)c1OC 5611239 NPVLUFAQMUIFDN-GFCCVEGCSA-N 259.309 1.662 0 50 CDAA biogenic COCC(=O)OCc1cc2cccc(C)c2[nH]c1=O 5818558 XCCWRFRACSHYAS-UHFFFAOYSA-N 261.277 1.526 0 50 CDAA Cc1cccc2c1NC(=O)[C@@]2(O)N1CCC[C@@H](C)C1 169295198 NLTGZYXSRUOCDQ-MEBBXXQBSA-N 260.337 1.824 0 50 CDAA CC[C@@]1(C(=O)NCCn2cc(Cl)cn2)C[C@@H]2CC[C@H]1N2 1857674821 ZHVXRIMMDVYFRF-OUCADQQQSA-N 296.802 1.573 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccncc2C)C1 644120708 LCVYPUIASQRUNA-YPMHNXCESA-N 286.335 1.715 0 50 CDAA C[C@@H]1CCN(C(=O)NCCNC(=O)C(C)(C)C)C[C@@H]1C 127209980 VLSPDYWVRYTNIX-NEPJUHHUSA-N 283.416 1.836 0 50 CDAA N[C@H]1CCN(C(=O)CCc2ccc3c(c2)OCCCO3)C1 238058787 ZJDALTKTYHOIRI-ZDUSSCGKSA-N 290.363 1.340 0 50 CDAA COc1nc(C(=O)NCCOC(C)=O)cc2ccccc12 239653974 BLZDDNCQCUJHSH-UHFFFAOYSA-N 288.303 1.536 0 50 CDAA C[C@@H](Cc1ccccc1)C(=O)NCc1nccc(N)n1 131589670 GEEXYYOFEXCHEV-NSHDSACASA-N 270.336 1.554 0 50 CDAA Cc1occc1C(=O)N1c2ccccc2C[C@H]1C(N)=O 253425482 CYWSEWZZCRLNFJ-ZDUSSCGKSA-N 270.288 1.645 0 50 CDAA CN1C[C@@H](c2nc(Cn3cnc4ccccc43)no2)CC1=O 357477948 WBSJWGPJPKLRTR-JTQLQIEISA-N 297.318 1.413 0 50 CDAA CO[C@]12CCC[C@@]1(C(=O)N1CC(OC(F)F)C1)CCO2 822271481 CUOBHXAPJVGAMV-STQMWFEESA-N 291.294 1.370 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)O)C[C@H]21 1857781193 VKYCBUMZNGRMMN-IVZWLZJFSA-N 271.313 1.486 0 50 CDAA CC(C)[C@@H](O)CN1CC(O)(c2ccc(Cl)cc2)C1 852019702 DQKFPDHTBBVWES-ZDUSSCGKSA-N 269.772 1.860 0 50 CDAA Cc1conc1CNC(=O)N[C@H]1c2ccccc2C[C@H]1O 952882044 RHVWSLHODHTUQG-KGLIPLIRSA-N 287.319 1.441 0 50 CDAA CCNC(=O)CN(C)CC1([C@H]2CCCCO2)CCC1 952994898 WGHLIBIWBXPAGJ-CYBMUJFWSA-N 268.401 1.794 0 50 CDAA C[C@H](C(=O)N1CCC(c2nnc(O)o2)CC1)n1cccc1 1875255481 JNRVBMBXBYOOOP-SNVBAGLBSA-N 290.323 1.544 0 50 CDAA O=C1CCN(C(=O)c2n[nH]cc2C2CC2)[C@@H](C2CC2)C1 1875274451 XTWDXDPUUORCDU-CYBMUJFWSA-N 273.336 1.871 0 50 CDAA C[C@H](ONC(=O)[C@H]1CCc2c[nH]nc21)c1ccncc1 1875298160 PQWOJIOVOAQJJB-CABZTGNLSA-N 272.308 1.644 0 50 CDAA Cc1nc(C(N)=O)ccc1NC(=O)c1c(Cl)cnn1C 1875303435 XFFBQEITEKQQPX-UHFFFAOYSA-N 293.714 1.128 0 50 CDAA Cc1cc(NC(=O)C[C@@H]2OB(O)c3ccccc32)ccc1O 1875380631 UNYXWLZUURCOMK-HNNXBMFYSA-N 297.119 1.488 0 50 CDAA Cc1ccc(CN(C)C(=O)[C@@H]2NCc3ncncc32)c(C)c1 1775962218 ZUIWVSWSGRYREV-MRXNPFEDSA-N 296.374 1.896 0 50 CDAA CC(C)=C(F)C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 1775958909 ZPFVTFOLDIPWOK-QJPTWQEYSA-N 271.332 1.638 0 50 CDAA O=C(Cc1ccn(CC(F)(F)F)n1)N[C@H]1CCC[C@@H]1O 899814458 ZXHATAMIBLTULM-UWVGGRQHSA-N 291.273 1.018 0 50 CDAA CC(C)n1ccc(C(=O)NC2(C(=O)O)CCC2)n1 263184722 WMIYCSGDQOGKAR-UHFFFAOYSA-N 251.286 1.201 0 50 CDAA Cc1cc(C)n(C2CN(Cc3nnc(C)s3)C2)n1 299782319 VLHJIEPMHALCRM-UHFFFAOYSA-N 263.370 1.717 0 50 CDAA CCNc1nc(C)cc(NCCNC(=O)C(C)(C)C)n1 67622504 UPRMEGVTGOGCOM-UHFFFAOYSA-N 279.388 1.791 0 50 CDAA COC1CCC(NC[C@@H]2CCc3nccn3C2)CC1 328629593 IJWRHBGZZJKZAQ-HSBZDZAISA-N 263.385 1.993 0 50 CDAA CC(=O)NCC1CCN(Cc2nnc(C)s2)CC1 330655478 NXHVNMFUFDQLLM-UHFFFAOYSA-N 268.386 1.195 0 50 CDAA COc1ccc(C)cc1-c1nc(N2CCOCC2)n[nH]1 2100482736 VFIRCMQVNGSWID-UHFFFAOYSA-N 274.324 1.625 0 50 CDAA C[C@@H]1CN(C2CC2)CCN1C(=O)Cn1nc2ccccc2n1 2100482964 JFCWURIXBDAFNQ-GFCCVEGCSA-N 299.378 1.126 0 50 CDAA Cc1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1F 2100534481 KLYBKBHUNOKNCL-UHFFFAOYSA-N 262.288 1.756 0 50 CDAA C[C@H](N)c1ccc(NC(=O)[C@H]2OCCO[C@H]2C)cc1 1857527078 WFCCVKAPBLIUII-KWBADKCTSA-N 264.325 1.449 0 50 CDAA O=C1C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1 20534032 VHUKMDNJWNRRMF-GFCCVEGCSA-N 299.330 1.422 0 50 CDAA O=C1N[C@@H](C(=O)N[C@H]2C[C@@H](c3ccccc3)C2)CO1 2325786910 YXGBFXSJSWRXHR-GRYCIOLGSA-N 260.293 1.157 0 50 CDAA CC1(C)CC[C@@H](C(=O)NC[C@@H]2CNC(C)(C)C2)OC1 2325809159 KWWOJMNMNVYFOM-NEPJUHHUSA-N 268.401 1.696 0 50 CDAA COc1ccc(CNC(=O)c2c(C)cnn2C)cc1 411163915 GSKHLPWNYLUWDQ-UHFFFAOYSA-N 259.309 1.667 0 50 CDAA CN(C)S(=O)(=O)c1ccc2c(c1)nc1n2CCC1 188717 ZEFYIAHIHXUYQV-UHFFFAOYSA-N 265.338 1.233 0 50 CDAA CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 269692 GNCXFROBWRZEJR-UHFFFAOYSA-N 296.392 1.150 0 50 CDAA O=C(COc1cccc(-n2cnnn2)c1)Nc1ccccc1 411602 HURKKPSRCVCWTB-UHFFFAOYSA-N 295.302 1.680 0 50 CDAA CCN(CC)CCNC(=O)Cn1c(C)nc2ccccc21 2180671 VMXUYNLNOJCHFU-UHFFFAOYSA-N 288.395 1.803 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NCCCN(C)C)c(C)c1 2743232 SEBQJCFLWSXNGP-UHFFFAOYSA-N 284.425 1.842 0 50 CDAA COC(=O)c1ccc(NC(=O)c2cnccn2)cc1 2773995 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Cc1cc(NC[C@H](O)c2ccncc2)n2nc(C)cc2n1 72439045 MKKKZASOOVFPRL-ZDUSSCGKSA-N 283.335 1.887 0 50 CDAA CCc1ccc(C(=O)N2CCc3c(ncn(C)c3=O)C2)o1 328629724 PCLXYYCIHDTJHQ-UHFFFAOYSA-N 287.319 1.134 0 50 CDAA COc1nc2c(cc1C(=O)N1CCn3cncc3C1)CCC2 72168936 IODJUUJRAKKFOS-UHFFFAOYSA-N 298.346 1.431 0 50 CDAA O=C(C[C@@H]1COC(=O)C1)Nc1ccc2nc(S)[nH]c2c1 121783592 RGKRGZCNOPIPQS-ZETCQYMHSA-N 291.332 1.743 0 50 CDAA O=C([C@@H](O)Cc1ccccc1)N1CC[C@]2(CCCOC2)C1 357101040 MKIIVQZEEKUZBS-DOTOQJQBSA-N 289.375 1.619 0 50 CDAA O=C(C(C1CC1)C1CC1)N1CCC[C@H](c2nc(O)n[nH]2)C1 328793521 RZEUOQHITVHWET-NSHDSACASA-N 290.367 1.653 0 50 CDAA C[C@@H]1OCC[C@H]1S(=O)(=O)Cc1ncc(C2CC2)o1 328812196 BIVKOVYLRHXQMZ-GZMMTYOYSA-N 271.338 1.644 0 50 CDAA Cc1nccn1-c1cccc(=N[C@@H]2C=C[C@H](CO)C2)[nH]1 364331051 JEOREJXKINBHJL-QWHCGFSZSA-N 270.336 1.347 0 50 CDAA O=C(Cc1ncccc1F)N1CCCC[C@H](CO)C1 366204697 RCGZNERAVQDGNQ-NSHDSACASA-N 266.316 1.384 0 50 CDAA O=C(CN1CCCC1)N1CCC2(CCOCC2)CC1 71735878 ZNHMBWYPXWZIHV-UHFFFAOYSA-N 266.385 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CDAA CN(Cc1nc2ccccc2[nH]1)C(=O)CCc1nncn1C 584903273 XRKSKLGMVIACJQ-UHFFFAOYSA-N 298.350 1.283 0 50 CDAA Cc1nc2ccc(CC(=O)NC[C@@H](CO)C(C)C)cc2[nH]1 670459245 MPSZTKOXRAJLIL-ZDUSSCGKSA-N 289.379 1.795 0 50 CDAA O=C(Cc1ccc(O)c(F)c1)NCc1cccc(CO)c1 670468814 ZKBWHOAJDWHPMJ-UHFFFAOYSA-N 289.306 1.883 0 50 CDAA CN1CC[C@H](N(C)C(=O)NCc2csc(N(C)C)n2)C1 670456078 BAVIFSRLHHNUJA-NSHDSACASA-N 297.428 1.055 0 50 CDAA Nc1nc(N)c2c(n1)NC(=O)C[C@H]2c1ccccc1F 670416050 CMTNBRWIZJFLFB-ZETCQYMHSA-N 273.271 1.254 0 50 CDAA Cc1noc(C)c1CC(=O)N1CCN(C(C)(C)C)CC1 685945186 GGXFXPGJUGILLF-UHFFFAOYSA-N 279.384 1.777 0 50 CDAA COc1ccccc1CN1[C@@H](C)COC[C@H]1C(=O)O 1875283539 WBOKMASVRKEQPQ-JQWIXIFHSA-N 265.309 1.369 0 50 CDAA CCCCNC(=O)CN(C)Cc1cncn1C1CC1 244708363 KSKCIJBPRQYVKW-UHFFFAOYSA-N 264.373 1.566 0 50 CDAA COC(C)(C)CC(=O)NCCCN(C)c1ccccn1 1455154269 PINZGTIVPOLPFK-UHFFFAOYSA-N 279.384 1.839 0 50 CDAA COc1ccc(F)c(CNCCN2CCC[C@H](CO)C2)c1 952972888 HCUBPNPNLLRIDR-ZDUSSCGKSA-N 296.386 1.628 0 50 CDAA O=C(O)CCN1CCC[C@H](CNC(=O)C2CCC2)C1 952991901 XCEPASMGISKYLD-LLVKDONJSA-N 268.357 1.089 0 50 CDAA C[C@@H]1CN(c2ccc3nccnc3n2)Cc2cncnc21 1458554282 BPSAMSOCOCRBJG-SNVBAGLBSA-N 278.319 1.939 0 50 CDAA Cn1nccc1C1(O)CCN(c2ncnc3c2CCC3)CC1 1548520151 AIUDRMFUDQCRLP-UHFFFAOYSA-N 299.378 1.187 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cccn1C1CC1 1565512272 PFSHOGTXTUOQNP-AAEUAGOBSA-N 264.325 1.357 0 50 CDAA N[C@H]1CC[C@@H](C(=O)NCc2cnc3c(c2)CCC3)C1 1565508968 GREQEBGUXYLUFA-OLZOCXBDSA-N 259.353 1.314 0 50 CDAA C=CC(=O)NCCC(=O)Nc1ccc(Cl)cc1C(N)=O 1465407914 YWLOPYHDZLNGHX-UHFFFAOYSA-N 295.726 1.070 0 50 CDAA COc1nnc(NC(=O)N2C[C@@H]3CCCN3C[C@H]2C)s1 276557526 PBRNOIJIFIGOPT-BDAKNGLRSA-N 297.384 1.247 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(Cc2ccc3c(c2)CCC3)C1 671492440 SBOGIPFPFXLEPM-QGZVFWFLSA-N 298.390 1.404 0 50 CDAA Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc3nnnn3c1)CC2 675138767 BGVOODZOSHEHLN-AWEZNQCLSA-N 293.330 1.850 0 50 CDAA COC[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC(C)(C)O1 583616789 CTFJVFSEKYBHDQ-LBPRGKRZSA-N 294.399 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1.775 0 50 CDAA CC(=O)N(c1ccccc1C)[C@H]1C=CS(=O)(=O)C1 4856200 KCMIVQFOEZIFIK-LBPRGKRZSA-N 265.334 1.659 0 50 CDAA O=C1C[C@@H](NC[C@H]2CCCO2)C(=O)N1c1ccc(F)cc1 4903747 JWUKCIQEXQYHGG-CHWSQXEVSA-N 292.310 1.226 0 50 CDAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1cccnc1 6700333 QKKBKGWFCAEHLV-HOAMVYINSA-N 288.347 1.835 0 50 CDAA O=C(NC[C@@H]1CCCO1)Nc1ccc2c(c1)OCO2 6726848 AJDPSUCJANVVKF-JTQLQIEISA-N 264.281 1.716 0 50 CDAA CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 101037856 TUUZZRNQKSTHBQ-JRTVQGFMSA-N 296.990 1.764 0 50 CDAA Cc1[nH]ncc1C(=O)OC[C@H]1Cc2ccccc2O1 225613521 UENQLWTZVPQHIO-LLVKDONJSA-N 258.277 1.879 0 50 CDAA CCc1nnc(NC(=O)c2ccc(F)nc2)s1 226913207 DTMADIUGRCFUBC-UHFFFAOYSA-N 252.274 1.887 0 50 CDAA CCCCc1nnc(NC(=O)C(=O)N2CCCCC2)s1 58965504 HSYUWYBIAHCHRL-UHFFFAOYSA-N 296.396 1.832 0 50 CDAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1CCCNC1 246755478 PUWPONPSXPYXNB-HZSPNIEDSA-N 282.428 1.944 0 50 CDAA CC(C)CC(=O)N1CCC(NC(=O)c2cn(C)cn2)CC1 178222315 QHWLAROEKLHBKL-UHFFFAOYSA-N 292.383 1.187 0 50 CDAA CCC[C@@H](C(=O)OC)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100673149 ZDXKGUITOPNZOR-UHFZAUJKSA-N 277.320 1.135 0 50 CDAA CCOC(=O)CN1CCN(c2ncccc2C)CC1 67921971 ITWHMSAAOQPCRN-UHFFFAOYSA-N 263.341 1.075 0 50 CDAA NC(=O)CC[C@@H]1CCCN(Cc2ccccc2C(=O)O)C1 67964935 PZESMRLKHCBJKS-LBPRGKRZSA-N 290.363 1.862 0 50 CDAA C[C@@H]([C@@H](O)c1ccc2c(c1)CCCO2)N1CCOCC1 25578580 COMWJMCMWOQQQX-BLLLJJGKSA-N 277.364 1.766 0 50 CDAA C[C@@H]1CCCN(C(=O)CCN2CC(N3CCCCC3)C2)C1 65499548 AWSIYZRJNAPBNU-OAHLLOKOSA-N 293.455 1.805 0 50 CDAA COC(=O)Cc1onc(C)c1I 113828879 FLNLZTLROGTAKR-UHFFFAOYSA-N 281.049 1.303 0 50 CDAA CCN(Cc1c(CO)cnc(C)c1O)C[C@H]1CCCO1 67673685 IUHILNMXOOHCEY-CYBMUJFWSA-N 280.368 1.589 0 50 CDAA c1csc(-c2ccn(Cc3nnc4n3CCOC4)n2)c1 280748138 MBYRMDIZOVUVBL-UHFFFAOYSA-N 287.348 1.782 0 50 CDAA CCNc1ncc(C(=O)NCC[C@H]2CCCN(C)C2)cn1 67563337 HNRWKWYQVXALPE-GFCCVEGCSA-N 291.399 1.370 0 50 CDAA O=c1c2ccccc2ncn1CCCN1CCC(O)CC1 32516131 YRRXTMNLYDQTBS-UHFFFAOYSA-N 287.363 1.243 0 50 CDAA COC(=O)C(=C/C(Br)=C/N(C)C)C(=O)OC 32650132 JCJZFNQGWUGEAC-SREVYHEPSA-N 292.129 1.057 0 50 CDAA O=C1NC(=O)[C@@](c2ccccc2)(c2ccc(O)cc2)N1 119638 XEEDURHPFVXALT-OAHLLOKOSA-N 268.272 1.475 0 50 CDAA biogenic,world O=C(CC1CCC1)NC[C@H]1CC(=O)N(C2CC2)C1 181184787 KOYVFJCHRWJDRF-LLVKDONJSA-N 250.342 1.304 0 50 CDAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C1(C)C 229284341 VOYSZMAAJWTKOG-UPJWGTAASA-N 278.396 1.949 0 50 CDAA CO[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](O)C1CC1 229843542 DMUWDVHXYUKMON-QJPTWQEYSA-N 256.346 1.014 0 50 CDAA Cc1ccc(-c2cccnc2)cc1NC(=O)Cn1cnnn1 253427972 BWHKCQRXTZXBAO-UHFFFAOYSA-N 294.318 1.682 0 50 CDAA Cc1sc2ncn(CCOCCO)c(=O)c2c1C 32581942 QJXCUSRGNCKPKL-UHFFFAOYSA-N 268.338 1.084 0 50 CDAA O=C([C@H]1CC12CCNCC2)N1CCC([C@@H]2CCCN2)CC1 334167177 ABADQGQAIVGXFT-CABCVRRESA-N 291.439 1.367 0 50 CDAA Cc1n[nH]c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1Cl 217774991 SSLYPPJSSDUPCS-QMSLJYSESA-N 255.705 1.134 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)CCc3n[nH]c(C)n3)C[C@@H]2C1 71615033 SRJLOWMKJCTDCB-OLZOCXBDSA-N 274.368 1.860 0 50 CDAA CS(=O)(=O)N(CC[C@H]1CCCCO1)Cc1ccccn1 330834685 WKTBQCPPZNLXKV-CQSZACIVSA-N 298.408 1.802 0 50 CDAA CC[C@@H](NC(=O)c1c(C)coc1CC(=O)O)[C@@H]1CCCO1 262875948 GNAOICZJNIOIFQ-MNOVXSKESA-N 295.335 1.903 0 50 CDAA CO[C@H]1C[C@@H](CO)N(CCc2nc3ccccc3n2C)C1 331767645 MAYVJXLSFSOETR-STQMWFEESA-N 289.379 1.197 0 50 CDAA CCc1nc(CN(C)Cc2nc(C)cs2)n[nH]1 181709891 RWCIFHGUKDBZTQ-UHFFFAOYSA-N 251.359 1.764 0 50 CDAA COCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 174249739 NKIBYXHRYHNAFM-VXGBXAGGSA-N 289.397 1.295 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2ccncc2)C1 284660800 WGJBDLDWAUVSKX-OLZOCXBDSA-N 273.340 1.470 0 50 CDAA C[C@@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1cccnc1 174520671 BSHIXJITHRYPSC-UKRRQHHQSA-N 273.380 1.882 0 50 CDAA C[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1cccs1 263339027 RNDANOCLFYEKLJ-HLTSFMKQSA-N 253.323 1.831 0 50 CDAA Cc1ccc(F)c(CN(C)C(=O)[C@@H](C)C(=O)O)c1 263543365 FFRUXNSHNDXHBS-SECBINFHSA-N 253.273 1.813 0 50 CDAA CCNc1nc(C)cc(N2CCN(C(=O)C(C)C)CC2)n1 82230210 YFRIPUJXDSTBRT-UHFFFAOYSA-N 291.399 1.521 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)[C@@H](N2CCc3ccccc3CC2)C1 227340929 ALBKJDCBTBGXHD-JYJNAYRXSA-N 289.375 1.400 0 50 CDAA C[C@@H](O)CSc1nnc(CN)n1Cc1ccccc1 426503212 CNVGSSZSUSOKFY-SNVBAGLBSA-N 278.381 1.258 0 50 CDAA CC[C@@H](O)CSc1nnc(CN)n1-c1ccc(F)cc1 426563080 AZGZXQYPHAMXND-LLVKDONJSA-N 296.371 1.728 0 50 CDAA CC[C@H](C)[C@@H](C(=O)O)n1nnc2ccccc2c1=O 43748693 NTNMVFQETBLBRH-KWQFWETISA-N 261.281 1.463 0 50 CDAA O=C(CCc1ccc2c(c1)OCO2)N[C@H]1C[C@@H]2OCC[C@H]12 223677957 JFRSDQCGHBSGRV-DYEKYZERSA-N 289.331 1.642 0 50 CDAA COc1ccc2oc(CNC(=O)C[C@H]3CCOC3)nc2c1 426661353 QBZHGKTXWMEGSO-SNVBAGLBSA-N 290.319 1.879 0 50 CDAA COCC[C@H]1COCCN1C(=O)c1cncc(F)c1 291310129 XQUICMNPPFNACQ-LBPRGKRZSA-N 268.288 1.098 0 50 CDAA CCOC(=O)NCCCC(=O)NCCc1ccccc1 97758819 HTOYBIILVCHURC-UHFFFAOYSA-N 278.352 1.872 0 50 CDAA biogenic,in-vitro O=C(CCc1nc([C@@H]2CCOC2)no1)NC1CCCC1 96163198 SLUGTDDJTMNPCC-SNVBAGLBSA-N 279.340 1.565 0 50 CDAA c1cn(CCCc2ncnn2-c2ccc3c(c2)OCO3)cn1 91819846 PGYRIERNTRRMAY-UHFFFAOYSA-N 297.318 1.825 0 50 CDAA COC(=O)c1ccc(C2=NOC3(CCNCC3)C2)nc1 140770198 OQNTUTPOPLLSFR-UHFFFAOYSA-N 275.308 1.115 0 50 CDAA COc1cccc(NCC2C(=O)OC(C)(C)OC2=O)c1 96028554 AVKWULHLJPAAGK-UHFFFAOYSA-N 279.292 1.559 0 50 CDAA CCCCc1c(C)nc(N)nc1N1CCC[C@@H](CO)C1 91943648 OKVVDSWLFONOEU-GFCCVEGCSA-N 278.400 1.919 0 50 CDAA COC(=O)[C@H]1CC(=O)CCN1C(=O)c1ccccc1 96028459 DOUOUMOLFFTTEU-GFCCVEGCSA-N 261.277 1.033 0 50 CDAA CCNc1ncc(C(=O)N[C@H](CC)c2ccnn2C)cn1 91679586 NAGWAVXTGXDHKR-LLVKDONJSA-N 288.355 1.523 0 50 CDAA CN1CCCCC[C@H]1C(=O)NC(C)(C)c1nnc(N)s1 97570796 XRNXWMYSXVSOOC-VIFPVBQESA-N 297.428 1.346 0 50 CDAA CCOC1CCN(c2ncncc2C(=O)O)CC1 95365979 WXXJUFUCIVWPIW-UHFFFAOYSA-N 251.286 1.180 0 50 CDAA CC(C)Cn1nccc1NC(=O)N1CCCC[C@@H]1CO 95521330 FWVHPWAEHFOYPA-GFCCVEGCSA-N 280.372 1.918 0 50 CDAA Cc1ccnn1CCN1CCC[C@H](N(C)C)CC1 244795164 RATBPGJHDNHATC-AWEZNQCLSA-N 250.390 1.608 0 50 CDAA CC1(C)[C@H](CNC(=O)c2nc[nH]c3nccc2-3)C1(F)F 619382834 RYJYWEDDNHGZNK-QMMMGPOBSA-N 280.278 1.931 0 50 CDAA COCc1n[nH]c(NC(=O)[C@@H](CC(C)C)n2cccc2)n1 253405245 IELSKCBJEIQDJA-LLVKDONJSA-N 291.355 1.979 0 50 CDAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(C(C)C)[nH]n1 252549504 RJOLKCUEKZNUBR-JOYOIKCWSA-N 253.346 1.670 0 50 CDAA Cc1nc(CC(=O)NC2(CO)CCCC2)c(C)s1 182710536 DNRINNGDNXDGON-UHFFFAOYSA-N 268.382 1.724 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1CCO[C@H]2CCC[C@@H]21 299119101 DXSVFPMTXUTBSQ-KBPBESRZSA-N 277.368 1.739 0 50 CDAA CN(C[C@H]1CCOC1)C(=O)NCCCNc1cccnc1 534668526 QJXUABQDQORIPY-CYBMUJFWSA-N 292.383 1.562 0 50 CDAA Cc1ncncc1C(=O)NCc1ccccc1-n1ccnc1 351796402 VTYMHIBLBTXYNO-UHFFFAOYSA-N 293.330 1.901 0 50 CDAA O=C(O)CNC1CCN(c2ccccc2Cl)CC1 534652345 QSJXTVMVVWFCOR-UHFFFAOYSA-N 268.744 1.983 0 50 CDAA Cc1ccccc1[C@@H](CNC(=O)C1(C)COC1)N(C)C 534654316 MUCQXEDJWHCHFF-CQSZACIVSA-N 276.380 1.750 0 50 CDAA CN(CCS(=O)(=O)c1ccccc1)CC1(C)COC1 625786353 FTFYXJSBSGTTDS-UHFFFAOYSA-N 283.393 1.429 0 50 CDAA CC(C)c1nc(O)ccc1C(=O)N1CC[C@@H](N(C)C)C1 1940197798 RNKGMEMJKZEMKB-LLVKDONJSA-N 277.368 1.687 0 50 CDAA CN1CCC(O)(CCNC(=O)c2ccc(F)cc2O)CC1 299757974 LZYALZWRTKDAGJ-UHFFFAOYSA-N 296.342 1.108 0 50 CDAA CC1=NO[C@](C)(C(=O)NCCc2nncn2C(C)C)C1 299777779 LOTZTOYITFLGAI-ZDUSSCGKSA-N 279.344 1.073 0 50 CDAA Cc1nc2ccc(-c3ncnn3CC(C)(C)O)cc2[nH]1 825106319 LMKNXRPZPGXEOM-UHFFFAOYSA-N 271.324 1.901 0 50 CDAA O=C(CCCN1CCCC1=O)NCCc1ccc(O)cc1 828026347 OTXDVYHZTMHGGR-UHFFFAOYSA-N 290.363 1.454 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1c(C)ncn1C 584886621 MGTBAWHCCWMWNM-MRVPVSSYSA-N 275.356 1.570 0 50 CDAA Cc1sc2ncn([C@H]3COC[C@@H]3O)c(=O)c2c1C 584902580 BVRUDOMLOQVXSA-IUCAKERBSA-N 266.322 1.007 0 50 CDAA Cc1cccc(C[C@H](C)NC(=O)Cn2ccccc2=O)n1 584887715 UXCYQCHIVLSMIH-ZDUSSCGKSA-N 285.347 1.299 0 50 CDAA COc1cccc(SCC(=O)NCc2nonc2C)c1 736140566 YMTVXHCJABHEKG-UHFFFAOYSA-N 293.348 1.795 0 50 CDAA CCc1[nH]nc2c1CN(C(=O)c1ccn(C)c1C)CC2 584895061 KTUFPOZRTIPIJI-UHFFFAOYSA-N 272.352 1.818 0 50 CDAA COc1ccc(Cn2ncnc2C[C@@H](C)NC(C)=O)cc1 670472296 DMBILQCDSPJXFQ-LLVKDONJSA-N 288.351 1.402 0 50 CDAA C[C@@H]1CCN[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[C@@H]1N 757216245 ZLMYRHUJGGZDCW-KAMPLNKDSA-N 265.323 1.242 0 50 CDAA Cc1cncnc1N1CCC(NC2CCOCC2)CC1 1548484810 RFOIPIQNLSTVBS-UHFFFAOYSA-N 276.384 1.522 0 50 CDAA COc1ccc(CN2C[C@H]3COC[C@@]3(C(=O)O)C2)c(F)c1 1549338944 PZCRBRNAUSWBGI-NHYWBVRUSA-N 295.310 1.367 0 50 CDAA COCc1nc(CN(C)[C@H](C)c2nccs2)no1 244678794 IKNFOZIMTJUVOI-MRVPVSSYSA-N 268.342 1.866 0 50 CDAA Cc1ccc(CNC(=O)N2C[C@@H](O)[C@H](F)C2)cc1 952969844 PHPLHBOIZRGFOH-VXGBXAGGSA-N 252.289 1.219 0 50 CDAA C[C@@H](CNCc1nc(O)n[nH]1)Cc1ccc2c(c1)OCO2 952990516 QTEBHFOLPPBIAF-SECBINFHSA-N 290.323 1.207 0 50 CDAA CCOc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)o1 1565506011 YTAGHTWRNMYZLS-VZLIPTOUSA-N 294.351 1.126 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 269217557 YSOWRNFGAIROFG-OCCSQVGLSA-N 289.331 1.624 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N1CCn2nc(C)nc2C1 408274870 PWWVJMFATLIODW-VXGBXAGGSA-N 278.356 1.134 0 50 CDAA C[C@H](NCCCn1cc(CO)nn1)[C@H]1CC2CCC1CC2 630060997 VINKOJZQGWYMFN-WLIAPVHPSA-N 292.427 1.965 0 50 CDAA Cc1c(C(=O)Nc2cnc(C(C)C)nc2)cnn1C 279874555 GVLOYNCNAFSYBK-UHFFFAOYSA-N 259.313 1.894 0 50 CDAA CC1(C)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)[C@@H]2CCO[C@H]21 669102580 IOEVSFIHORRZBH-OTMMVIPVSA-N 290.367 1.154 0 50 CDAA CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1CC[C@@H](CO)CC1 585132259 RMVQFHAEKQRYIB-FRRDWIJNSA-N 268.401 1.527 0 50 CDAA CC1(C)COC(=O)[C@@H]1NC(=O)Nc1ccc(F)cn1 585119450 HYZSAQJJCCXRPZ-VIFPVBQESA-N 267.260 1.294 0 50 CDAA CCc1nn(C)c(CC)c1CNC(=O)[C@H]1CCCO[C@@H]1C 189763444 WZFWDYGBBHQHCA-NEPJUHHUSA-N 293.411 1.976 0 50 CDAA Cc1conc1CNc1ccc(S(C)(=O)=O)cn1 708371039 DYWQVTNJBKMSPW-UHFFFAOYSA-N 267.310 1.394 0 50 CDAA CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2ccnc(O)c2)C1 649098987 BXCDORQOPVICJN-PHIMTYICSA-N 264.325 1.863 0 50 CDAA CCCC1(C(=O)O)CCN(CCN2CCOCC2)CC1 62847092 DDJZPFAOGBJWEX-UHFFFAOYSA-N 284.400 1.286 0 50 CDAA Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)c1 195544571 BNIYWYFVJDFDOE-GXFFZTMASA-N 286.372 1.540 0 50 CDAA NC[C@H]1CCCc2ccc(C(=O)NCc3cnn[nH]3)cc21 662487944 OXTHRJXKWRVJMV-GFCCVEGCSA-N 285.351 1.113 0 50 CDAA CO[C@](C)(C(=O)O)C(=O)Nc1cc(C)cc(F)c1 663039625 LCRRHMWYVCGCEA-LBPRGKRZSA-N 255.245 1.562 0 50 CDAA CCN1CCN(C(=O)CCc2ccco2)C[C@]12CCOC2 1614829779 QCVBSFAMGBIDKX-INIZCTEOSA-N 292.379 1.535 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC(C)(C)F 1615544563 CBAZGOSHJYXRTO-HNNXBMFYSA-N 280.343 1.660 0 50 CDAA COc1cccnc1C(=O)N1CCCC[C@@]12CCOC2 1615615651 QDWPGVHAZATNAK-HNNXBMFYSA-N 276.336 1.875 0 50 CDAA O[C@@H]1CCC[C@@H]1CNC1CCN(Cc2ccccn2)CC1 1615626854 FCZAIQPZUMRYAB-RHSMWYFYSA-N 289.423 1.797 0 50 CDAA O[C@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@@H]1F 1615817428 GRPDPWPILPJMRT-QWRGUYRKSA-N 263.272 1.251 0 50 CDAA CCn1cncc1CNC(=O)c1ccc(F)cc1O 1772701996 ITFMXSDPRIUSQG-UHFFFAOYSA-N 263.272 1.678 0 50 CDAA CCC[S@](=O)c1ccc2[nH]/c(=N\C(=O)OC)[nH]c2c1 17 VXTGHWHFYNYFFV-LJQANCHMSA-N 281.337 1.681 0 50 CDAA biogenic,world Cc1cc(C)n(C[C@@H](C)NCCCn2ccnc2)n1 1506416663 KLMBRDKOHTWFQS-CYBMUJFWSA-N 261.373 1.765 0 50 CDAA COc1nccnc1NC[C@@H]1CCCN1C(C)C 1506423140 UDAPIBCXZMTXIL-NSHDSACASA-N 250.346 1.770 0 50 CDAA CCCN1CCC[C@@H](Nc2nccnc2C(=O)O)C1 1506399508 ONCBALUZZYYGSX-SNVBAGLBSA-N 264.329 1.461 0 50 CDAA Cn1ccnc1NC(=O)c1ccccc1-n1cnnc1 1506397580 WLYFNKMJPGZIMW-UHFFFAOYSA-N 268.280 1.253 0 50 CDAA Cc1nncn1CCN1C[C@]2(C)CN(C)C[C@](C)(C1)C2 1506419431 PNBJICXMNFVJQJ-GASCZTMLSA-N 277.416 1.250 0 50 CDAA CCN(C[C@@H]1CCCO1)C(=O)CSc1nnc(C)o1 1506431478 LVIJZSIAJDXUAQ-JTQLQIEISA-N 285.369 1.498 0 50 CDAA O=C(NCC1CCOCC1)[C@@H]1Cc2ccccc2CN1 111174493 CZAMLULGKGXBNU-HNNXBMFYSA-N 274.364 1.244 0 50 CDAA Cc1nn[nH]c1C(=O)N(Cc1ccco1)C(C)(C)CO 1529173390 VRLNHWWUNMXMCC-UHFFFAOYSA-N 278.312 1.119 0 50 CDAA O=C(c1cccs1)[C@@H](O)O[C@H](O)C(=O)c1cccs1 1775965249 YELKVLYPTIGJLS-RYUDHWBXSA-N 298.341 1.529 0 50 CDAA OC[C@@H]1C[C@@H](O)CN1C[C@@H]1CCC2(CCCCC2)O1 225528335 ONVICQYWLIWPIY-MJBXVCDLSA-N 269.385 1.296 0 50 CDAA CN1C(=N)S/C(=C/c2ccc3c(c2)OCO3)C1=O 5017874 IZCAHAQWLWVOMW-CMLXQLBBSA-N 262.290 1.896 0 50 CDAA O=C(NC[C@@H]1CCN(C2CC2)C1)c1c(O)cccc1F 119383423 UOLFTHDFNCZECV-JTQLQIEISA-N 278.327 1.745 0 50 CDAA CCOCCCN1CCC[C@@H](c2nnc3n2CCC3)C1 120360496 PQPJAPNGWKOWFU-CYBMUJFWSA-N 278.400 1.830 0 50 CDAA O=C1CN(CC[C@H]2COCCO2)CCN1c1ccccc1 1775981846 XDJFOOBCNSACCE-HNNXBMFYSA-N 290.363 1.141 0 50 CDAA OC[C@@H]1CCCCN1CCCNc1ncnc2cc[nH]c12 1772810434 GONXJDCQONEXJE-LBPRGKRZSA-N 289.383 1.607 0 50 CDAA CCCC1(C(=O)O)CCN(C(=O)c2cncn2C)CC1 232928343 GWLXCXDTQADAMS-UHFFFAOYSA-N 279.340 1.527 0 50 CDAA Cc1ccc(C(=O)NCc2[nH]nc3ncccc23)c(O)n1 1772810435 MVSDZTUWEBNFBY-UHFFFAOYSA-N 283.291 1.297 0 50 CDAA Cc1ccc2nc(SCC(=O)N3CCOCC3)[nH]c2c1 5165039 GHCFJLHOZBVCHE-UHFFFAOYSA-N 291.376 1.822 0 50 CDAA C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN 11680943 VOBHXZCDAVEXEY-JSGCOSHPSA-N 263.385 1.190 0 50 CDAA fda COC(C)(C)CNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12429272 KOFSXQSQKZQGLK-GFCCVEGCSA-N 296.411 1.709 0 50 CDAA O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ncccn1 13424052 JFLDOPNVPHHHCM-HWKANZROSA-N 269.260 1.857 0 50 CDAA CCC[C@@]1(CO)CN(C(=O)c2ccncc2F)CC[C@@H]1O 1857716497 AVJOBLQEUNPBGI-ZFWWWQNUSA-N 296.342 1.206 0 50 CDAA O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 613228 GHRGMZSLIAQQEZ-UHFFFAOYSA-N 279.292 1.944 0 50 CDAA O=C(NCc1ccccn1)C(=O)Nc1ccc(F)cc1 2315654 OMIQEKRQHZTNGI-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA CCc1ccccc1NC(=O)C(=O)N1CCOCC[C@@H]1C 225495123 CTPYZURNMINCPD-LBPRGKRZSA-N 290.363 1.825 0 50 CDAA COC(CN1CC[C@@](O)(Cc2cccc(Cl)c2)C1)OC 328587705 FMZXRHACZJJVFR-OAHLLOKOSA-N 299.798 1.938 0 50 CDAA CCn1cc(C(=O)N2CCC(Cn3ccnn3)CC2)cn1 332103752 QZHFXZFCAGTGDR-UHFFFAOYSA-N 288.355 1.047 0 50 CDAA COc1ccccc1C[C@@H](CNC(=O)C1CCC1)C(=O)O 237209896 YZWASTHUAIXCLT-ZDUSSCGKSA-N 291.347 1.855 0 50 CDAA Cc1noc([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1 551884720 RTUDHOCGWQHJKU-LLVKDONJSA-N 297.318 1.884 0 50 CDAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 659160074 RMXPMZJWEMAUHM-BXKDBHETSA-N 291.351 1.709 0 50 CDAA CN(C(=O)[C@@H]1CCOC1)[C@H]1CCC[C@H]1n1cccn1 1875393878 OITUNOAVGUODLL-FRRDWIJNSA-N 263.341 1.472 0 50 CDAA Cc1cc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)OC(C)(C)C)no1 592749399 OYDNMZPQZTWSQF-VXGBXAGGSA-N 294.351 1.919 0 50 CDAA CCc1cc(N2CCN(c3ncccn3)CC2)nc(C)n1 266039023 UNMVQASZNYUVLF-UHFFFAOYSA-N 284.367 1.464 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)N1CCOCC1 260191 SSTJFSULEYMREW-UHFFFAOYSA-N 269.728 1.886 0 50 CDAA C[C@]1(CN)CCN(c2cc(C(F)F)nc3ncnn23)C1 905632748 CYPJHFLIESLLHU-GFCCVEGCSA-N 282.298 1.237 0 50 CDAA Cc1noc(C[C@H]2CCCN(Cc3cnns3)C2)n1 933569655 ZGHPPBWZIQUKLW-SNVBAGLBSA-N 279.369 1.684 0 50 CDAA O=C(Nc1nn[nH]n1)c1noc2c1CCc1ccccc1-2 1136946785 MMLPVXTZUCWNRL-UHFFFAOYSA-N 282.263 1.206 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCNC2=O)C1 950756117 QBWBDKLNMNWYSK-WDEREUQCSA-N 268.357 1.770 0 50 CDAA CC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 1875252376 YGCJTVYNOWMYCV-SNVBAGLBSA-N 283.353 1.079 0 50 CDAA CC[C@H](CC(=O)N(C)C[C@@H](O)C1CC1)CN(C)C 1875279698 SSEDIWMVESEJJW-DGCLKSJQSA-N 256.390 1.194 0 50 CDAA Cc1ccc(C)c(NC(=O)NN2CCC(O)CC2)c1 1875288980 OCAYRULCLPQKPF-UHFFFAOYSA-N 263.341 1.797 0 50 CDAA O[C@H](c1nc(-c2cnn3ccccc23)no1)C1CC1 1875285885 DTGHMFDGRFMJLR-NSHDSACASA-N 256.265 1.828 0 50 CDAA N[C@H](c1cn(C[C@@H]2CCCC[C@@H]2O)nn1)[C@@H]1CCCO1 1875269975 FSZMIUOXCFLTFJ-DOERSZECSA-N 280.372 1.008 0 50 CDAA c1c[nH]c2nc(=N[C@H]3CCc4ncsc4C3)ccc-2n1 1875287019 RRFGSYITEIKQBX-VIFPVBQESA-N 283.360 1.824 0 50 CDAA CC(=O)N1CC(CNC(=O)c2cc3c(C)cccc3[nH]2)C1 1875321534 MCUFTDYVPKNOAR-UHFFFAOYSA-N 285.347 1.684 0 50 CDAA C=CC(=O)N[C@H](C)[C@H](c1ccccc1)N1CCOCC1 1875376251 PZEXAGTXHVJZMK-CZUORRHYSA-N 274.364 1.751 0 50 CDAA Cc1ccc(OCCCC(=O)NS(C)(=O)=O)cc1C 1875391098 DCOOMGLAJDYIRD-UHFFFAOYSA-N 285.365 1.538 0 50 CDAA Cc1[nH]nc2c1C[C@H](NC(=O)c1cnn3ccccc13)CC2 1875307661 ISJQYTUKVLYVHG-LLVKDONJSA-N 295.346 1.653 0 50 CDAA CO[C@@H]1CN(c2ccncc2Cl)C[C@H]1c1cn(C)nn1 886080326 WUXJDODMCPNUJS-TVQRCGJNSA-N 293.758 1.482 0 50 CDAA Cc1c(NC(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)cnn1C 888076018 OLYPPCQKSMYYQB-ZYHUDNBSSA-N 289.339 1.558 0 50 CDAA CCC(=O)N[C@@H]1CCN(c2nc(O)cc(C(C)C)n2)C1 888231641 SHJPNROCUCTIAQ-SNVBAGLBSA-N 278.356 1.411 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 137571100 MFUCMTIVYRQXAH-DDHJBXDOSA-N 261.277 1.503 0 50 CDAA CCO[C@H]1C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 270539504 PNVKMPSFKQTADI-ZOBORPQBSA-N 261.321 1.186 0 50 CDAA Cc1occc1C(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 262263373 MKVQNDJXWZRIDY-RKDXNWHRSA-N 291.225 1.923 0 50 CDAA O=C(N[C@H](C(=O)O)c1ccccc1)C1CC(F)(F)C1 262702168 KZQOIJOCZNIJSN-JTQLQIEISA-N 269.247 1.974 0 50 CDAA CC(C)(C)N1CC[C@@H](CNC(=O)CCc2cn[nH]c2)C1 299798393 RODJATATOMVEQO-ZDUSSCGKSA-N 278.400 1.579 0 50 CDAA CC(C)n1cnnc1CN(C)C[C@H]1CCCOC1 299803166 YSPKDOBCDGLSIK-GFCCVEGCSA-N 252.362 1.717 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCCCC1)[C@H]1CCCOC1 630266329 WHAVDHXNTAJERK-QWHCGFSZSA-N 283.368 1.810 0 50 CDAA C[C@@H](NC(=O)CN1CCn2cncc2C1)c1cccs1 647939764 ZYCJGOXQDARKLE-LLVKDONJSA-N 290.392 1.638 0 50 CDAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)N1CCNC1=O 685945175 BYPICHFBSHCXNV-NEPJUHHUSA-N 265.357 1.050 0 50 CDAA CO[C@H]1COCC[C@@H]1N=c1[nH]c2ccccc2s1 380910358 UXGJYGCWGGCAPF-ONGXEEELSA-N 264.350 1.934 0 50 CDAA CC(C(=O)N[C@@H]1CCC[C@H]1c1nn[nH]n1)=C1CCC1 2325808737 HMYJYYHPKQQCMU-GHMZBOCLSA-N 261.329 1.452 0 50 CDAA O=C(N[C@H]1CCc2cc(O)ccc2C1)[C@@H]1C2CCN1CC2 2325811200 AMPBYMQXYHZOBF-HOCLYGCPSA-N 286.375 1.460 0 50 CDAA O=S(=O)(c1ccccc1Cl)N1CCn2cncc2C1 72158549 RCFVDLLZEZTNHG-UHFFFAOYSA-N 297.767 1.741 0 50 CDAA OC[C@H]1N=C(c2ccccn2)O[C@H]1c1ccccc1 210273 FBXZTVLHMLAKBJ-KGLIPLIRSA-N 254.289 1.961 0 50 CDAA CC(=O)OCCn1c(C)nc2cc(C(=O)O)ccc21 281259 IHHWJXUODPWVQF-UHFFFAOYSA-N 262.265 1.606 0 50 CDAA CCOc1c(CNc2nnnn2C)cccc1OC 360508 WYEVSYLECRSZDI-UHFFFAOYSA-N 263.301 1.230 0 50 CDAA COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)C1 371559 SNUXUUSFIRPMMT-UHFFFAOYSA-N 261.277 1.879 0 50 CDAA CC[C@@H](C(=O)Nc1c[nH]c(=O)[nH]c1=O)c1ccccc1 2868565 WRYOBZNVYSSZLO-SNVBAGLBSA-N 273.292 1.196 0 50 CDAA CCC1(CC(=O)c2ccccc2)C(=O)NC(=O)NC1=O 3171622 ILCXKPATIGJTTJ-UHFFFAOYSA-N 274.276 1.022 0 50 CDAA COC(=O)CNC(=O)COc1ccc(Cl)cc1Cl 4005845 YKJUUNHTELMGKK-UHFFFAOYSA-N 292.118 1.661 0 50 CDAA O=C(c1cccnc1)N1N=C(C2CC2)C[C@@]1(O)C(F)(F)F 4178996 QOKMFADAFNKJQC-GFCCVEGCSA-N 299.252 1.944 0 50 CDAA C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C 4957918 YBMWGNIBPOIYQV-GYPVXTSCSA-N 278.396 1.796 0 50 CDAA Nc1nc(-c2ccccc2I)n[nH]1 6557544 GZHPAQZSCZABHN-UHFFFAOYSA-N 286.076 1.659 0 50 CDAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cncc(F)c1 134067958 NXJHTOSVJSJUSV-ZDUSSCGKSA-N 288.278 1.646 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(CO)cc1 344355974 BFUYKWOUVPBXIB-LSDHHAIUSA-N 265.353 1.415 0 50 CDAA c1nc2c(c(NCc3ccc4nsnc4c3)n1)CCNC2 67648885 XEBXRDWEINNCKC-UHFFFAOYSA-N 298.375 1.739 0 50 CDAA COCCN(Cc1cnn(C)c1)C(=O)c1cncc(C)c1 55169110 XWWLSMPBYRYGDK-UHFFFAOYSA-N 288.351 1.412 0 50 CDAA C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 247210561 RTZMWZXTUSKWAH-GMTAPVOTSA-N 274.386 1.051 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)C(F)(F)F)C(=O)C1 100016242 FUHZEIWXMXDMSS-ZETCQYMHSA-N 295.257 1.944 0 50 CDAA O=C(Nn1cnnc1)[C@H]1CCCCN1Cc1ccccc1 67755979 HKTBATHIKJFJFD-CQSZACIVSA-N 285.351 1.403 0 50 CDAA CCCn1nc(C)c(CNC(=O)c2nnc(C)o2)c1C 67674383 QVUBEIZTGWBHBX-UHFFFAOYSA-N 277.328 1.531 0 50 CDAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cnc(C)nc3C)C2)n1 65404260 XNXLJLQFZCHABU-AWEZNQCLSA-N 299.378 1.994 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 20427447 ABCYACJEIBTFEM-NSHDSACASA-N 271.324 1.534 0 50 CDAA Cc1cc(C)nc(N(C)CCCc2cnn(C)c2)n1 65387706 BSPMMCGHPWFVAH-UHFFFAOYSA-N 259.357 1.896 0 50 CDAA O=C([C@@H]1CNCCN1c1ccccc1)N1CCCCO1 20995021 ORWMVJDPCSYWFW-AWEZNQCLSA-N 275.352 1.019 0 50 CDAA Cc1cc(C(=O)NC(C)C)ccc1N(C)S(C)(=O)=O 65364762 GXYJSSRAUIQDAY-UHFFFAOYSA-N 284.381 1.529 0 50 CDAA Cc1nc(C)c(C(=O)N2CCC[C@H]3OCC[C@H]32)o1 366539497 IVSWQHOJIGSCBW-GHMZBOCLSA-N 250.298 1.685 0 50 CDAA C=CC(=O)NCC[C@@H]1CN(Cc2ccccc2)CCO1 311695049 QERLCJXHQJYVSA-OAHLLOKOSA-N 274.364 1.580 0 50 CDAA CCC[C@@]1(C(=O)O)CCCN(C(=O)CSC)C1 62870600 SNZWJDLODVLNPF-GFCCVEGCSA-N 259.371 1.843 0 50 CDAA Cc1cc(C)nc(CCNC(=O)c2ncc(F)cc2F)n1 219484129 HMULUDREQMNEJK-UHFFFAOYSA-N 292.289 1.739 0 50 CDAA CC[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)C[C@@H](C)O1 171880764 CPUYFMSINCEHPD-SKDRFNHKSA-N 265.357 1.595 0 50 CDAA O=C(CSc1ccncc1)NCCc1cnccn1 219905719 OPXULEHCCZWKLO-UHFFFAOYSA-N 274.349 1.323 0 50 CDAA C[C@@H](CN(C)C(=O)[C@H]1CCCC1(C)C)c1nn[nH]n1 330070349 XAFHIXWQKCZAII-VHSXEESVSA-N 265.361 1.588 0 50 CDAA COCCNCC(=O)N1C[C@H](C)CN(C)c2ccccc21 152301826 AXGBAYWHBBMANO-CYBMUJFWSA-N 291.395 1.342 0 50 CDAA CCNC(=O)c1cccnc1N1CC[C@H](COC)C1 32580842 OCIPCCJWKALFDN-NSHDSACASA-N 263.341 1.304 0 50 CDAA COc1ccc2c(c1)OCC(C(=O)N1CCC[C@H](N)C1)=C2 158433329 DFSSAWHGBGWPIJ-ZDUSSCGKSA-N 288.347 1.421 0 50 CDAA CC(C)Oc1cncc(N(C)C[C@@H](O)C2CC2)n1 126571419 IBWPAVSANOHIKY-LLVKDONJSA-N 251.330 1.471 0 50 CDAA C[C@H](c1nnnn1C1CC1)N1CCC(c2cn[nH]c2)CC1 365266249 KCPRBBFANAEDDN-SNVBAGLBSA-N 287.371 1.672 0 50 CDAA COC(=O)[C@@H]1CCCCN1CCO[C@@H]1CCCCO1 157147516 ULJYZCUBWDOYIL-QWHCGFSZSA-N 271.357 1.557 0 50 CDAA CCc1nc(CN2CCCC[C@H]2c2nc(O)n[nH]2)no1 333630684 AFCGMNVGKIPDTA-QMMMGPOBSA-N 278.316 1.183 0 50 CDAA CC[C@@]1(O)CCN(C(=O)c2sc(C)cc2OC)C[C@H]1O 72474541 QOWMTHFPIFGAJV-BXUZGUMPSA-N 299.392 1.413 0 50 CDAA O=C([C@H]1OCCc2ccccc21)N1CC(=O)N(C2CC2)C1 334494671 XQEYUCBAQANRLF-HNNXBMFYSA-N 286.331 1.091 0 50 CDAA CC(C)(O)CC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 334436909 QMFWBISCZSNXQK-OLZOCXBDSA-N 281.327 1.621 0 50 CDAA COc1cc(C)ccc1OCCC(=O)N(C)[C@H]1CCNC1 521394617 MBHUTRAHQDYAQA-ZDUSSCGKSA-N 292.379 1.593 0 50 CDAA O=S(=O)(c1cccs1)N1CCN2CCCC[C@H]2C1 241173119 KGFADPWEHJJIIF-NSHDSACASA-N 286.422 1.607 0 50 CDAA COC[C@H](CNC(=O)c1ccc(C)c2c1CCC2)OC 450515213 GSBCOPASHAKJGU-LBPRGKRZSA-N 277.364 1.875 0 50 CDAA CNC(=O)CC1CCN(c2ccnc(C(C)C)n2)CC1 173921490 NEADLSCXGOPTCP-UHFFFAOYSA-N 276.384 1.953 0 50 CDAA CN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3O)sc2C1 242164700 WXCDPZGMIPGMPP-MWLCHTKSSA-N 295.408 1.164 0 50 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50 CDAA CCOc1ccccc1CNCCNC[C@H](C)O 19370633 KILLFNAAZZVBED-LBPRGKRZSA-N 252.358 1.145 0 50 CDAA COc1csc(C(=O)N2CCOC[C@H]2CC(=O)O)c1 161422712 OCAHDOAWUCAGNQ-MRVPVSSYSA-N 285.321 1.072 0 50 CDAA COc1cccc([C@@H]2CCN2C(=O)c2nonc2C)c1 1857702900 SWCXFOPEPDULBX-LBPRGKRZSA-N 273.292 1.974 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)C(=O)O)C1 258720558 XVWXZSYLVHAWLT-SNVBAGLBSA-N 281.255 1.078 0 50 CDAA COc1ncccc1NC(=O)N1CC[C@@H](C)[S@@](=O)CC1 225394043 HGJSCDKBJIKCEZ-SBKAZYGRSA-N 297.380 1.465 0 50 CDAA Cc1ccnc(N2CCO[C@H](CN(C)CC3CC3)C2)n1 328625813 DMRINSUAWTYXFV-CQSZACIVSA-N 276.384 1.332 0 50 CDAA CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCc2cnccc21 126514472 OYGHXTPAWWNHAE-AWEZNQCLSA-N 287.363 1.618 0 50 CDAA CO[C@H](CNC(=O)c1ccnc(C(=O)O)c1)C(C)(C)C 237203993 GRUWBFCQEPKPLP-LLVKDONJSA-N 280.324 1.571 0 50 CDAA Cn1ccc(CC(=O)N[C@@](C)(C(=O)O)c2ccccc2)n1 663141118 JNOKEKZEOOROHU-OAHLLOKOSA-N 287.319 1.079 0 50 CDAA C[C@@H](CN(C)c1nnc(-c2ccccn2)s1)C(=O)O 263549012 JHYSKDJBTZLCKZ-QMMMGPOBSA-N 278.337 1.757 0 50 CDAA Cn1nc(Cl)c(C(=O)NC23CCN(CC2)C3)c1Cl 913636590 LWYHNUCVJUESGK-UHFFFAOYSA-N 289.166 1.305 0 50 CDAA Cc1ccc(C)c(CC(=O)NC2(C(=O)O)CCC2)c1 164860667 RTZURXSORWZTRZ-UHFFFAOYSA-N 261.321 1.969 0 50 CDAA Cc1ccc(CNc2n[nH]cc2C(=O)N(C)C)nc1 902660867 JSNBCIVLWDWYTF-UHFFFAOYSA-N 259.313 1.427 0 50 CDAA CCOC(=O)[C@@H]1C[C@H]1C(=O)OCc1cnc(C)s1 909842749 QJGANYHQDQUEFY-NXEZZACHSA-N 269.322 1.694 0 50 CDAA C[C@@H](N)C1CCN(C(=O)c2onc3c2CCCC3)CC1 911752804 GVHUKLBLUGEDJR-SNVBAGLBSA-N 277.368 1.753 0 50 CDAA CCn1ncc(CN[C@@H](C)c2ccnc(OC)c2)n1 839106519 IYXCMSGDSPTNHN-JTQLQIEISA-N 261.329 1.552 0 50 CDAA C=CC(=O)NCc1nnc2n1CCC[C@@H]2C(F)(F)F 820437422 GLIMKDOIAGRJQB-ZETCQYMHSA-N 274.246 1.520 0 50 CDAA Nc1ccncc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 127555125 SXXKBZWDRFXKDD-QWHCGFSZSA-N 261.325 1.447 0 50 CDAA C=CC(=O)N(C)CC(=O)N1Cc2ccccc2C(F)(F)C1 860280324 HPGMUKLVZIOCFP-UHFFFAOYSA-N 294.301 1.765 0 50 CDAA CN(CCC(=O)O)C[C@H]1CCN(Cc2ccccc2)C1 237242222 WIGMNAXLIQBXKE-OAHLLOKOSA-N 276.380 1.915 0 50 CDAA COC[C@@H](C)C(=O)N1CCCC[C@H]1CCC(=O)O 237154268 UYYZZNLEPJWCOW-MNOVXSKESA-N 257.330 1.515 0 50 CDAA CCOc1cc(N2CCC[C@H]2c2nc[nH]n2)nc(C)n1 1875287013 RNBOMZAXLVFFLM-JTQLQIEISA-N 274.328 1.643 0 50 CDAA C/C=C/C(=O)N[C@H](C(=O)OC)[C@H]1CCc2ccccc21 1875290318 RTSCHNFLYSSONO-YEZGLVMTSA-N 273.332 1.950 0 50 CDAA COC(=O)/C=C/CNC(=O)C1(c2ccc(F)cc2)CC1 1875333150 FAXGDXLBLHMYAF-NSCUHMNNSA-N 277.295 1.703 0 50 CDAA Cc1nc2c(OC[C@@H]3C[N@@]3CC3CC3)cccc2n(C)c1=O 1875381502 XHYWVZQNXIWVFG-RNODOKPDSA-N 299.374 1.715 0 50 CDAA C[C@H](Oc1ccc(OC[C@H]2C[N@]2CC2CC2)cc1)C(N)=O 1875381054 IQJMVRRWEXWHCG-SRBZOADZSA-N 290.363 1.412 0 50 CDAA Cn1cnc2ccc(C(=O)O[C@H]3CCC4(COC4)C3)nc21 1875317583 DPIKZZBUTVAUTJ-JTQLQIEISA-N 287.319 1.694 0 50 CDAA CSC(C)(C)C(=O)NCC[C@@H](C(=O)O)C(C)C 1875334363 LELIKNIUORDYDS-SECBINFHSA-N 261.387 1.991 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)C2Cc3ccccc3C2)C1 236438258 LFXJZDAVUJJBFI-ZDUSSCGKSA-N 273.332 1.725 0 50 CDAA O=C(c1ccc(F)cc1O)N1C[C@@H]2CCC[C@H](C1)N2 163986457 KMVMYXHCXYJLEP-PHIMTYICSA-N 264.300 1.498 0 50 CDAA Cc1nsc(NC(=O)N2CCC(CO)CC2)n1 55168468 BZWSNPBXKOQOQC-UHFFFAOYSA-N 256.331 1.083 0 50 CDAA CC1(CN2CCC3(CCNCC3)C2)CCOCC1 426427883 DUSJLZIKXWUIOG-UHFFFAOYSA-N 252.402 1.879 0 50 CDAA O=C(c1cc2c(s1)CCCC2)N1CC=C[C@H]1CO 91562879 OQOJIRSNBDIMRP-NSHDSACASA-N 263.362 2.000 0 50 CDAA CCCOC[C@H]1CCN(c2nc(N)ncc2CC)C1 95387755 XUSGYGPENDBWFA-NSHDSACASA-N 264.373 1.874 0 50 CDAA CCOC(=O)CSc1nnc(-c2ccncc2)o1 531378 GBGSFSOAHHTBRH-UHFFFAOYSA-N 265.294 1.787 0 50 CDAA CCc1ncc(CN2CCN(C[C@H]3CCCO3)CC2)[nH]1 2325788415 DKHDVSDMEDMJSE-CQSZACIVSA-N 278.400 1.269 0 50 CDAA CN1CCCC[C@@H]1CNC(=O)c1n[nH]cc1-c1ccncc1 2325798223 XUUWQFYCTMXVEJ-CYBMUJFWSA-N 299.378 1.686 0 50 CDAA Cc1ncn(C)c1Cn1cc(COc2cccc(O)c2)nn1 2325806141 YJPSVPWUSSZMEA-UHFFFAOYSA-N 299.334 1.653 0 50 CDAA Cc1ccccc1NC(=O)C[C@H](C(=O)O)N(C)C 195875 JFFJTSPKUAQRKL-LLVKDONJSA-N 250.298 1.338 0 50 CDAA COc1ccc(S(=O)(=O)Nc2ccncc2)cc1OC 321003 OHQBPOCBXDNIDY-UHFFFAOYSA-N 294.332 1.900 0 50 CDAA Cc1ccc(NN=c2c(=O)c3ccccc3c2=O)cc1 436434 OKEGNICAYCHHHZ-UHFFFAOYSA-N 264.284 1.672 0 50 CDAA CCc1ccccc1NC(=O)C[C@@H]1SCCNC1=O 2326307 GSPCXFMOQXEVAD-LBPRGKRZSA-N 278.377 1.809 0 50 CDAA CCn1ccc(-c2nnc3n2[C@@H](C)C(=O)N2CCC[C@H]32)n1 2356157329 GCVKQCCPXMFZKN-GXSJLCMTSA-N 286.339 1.400 0 50 CDAA CC(=O)NCC(=O)OCC(=O)c1ccc2ccccc2c1 2751355 VVHRFRKUIPVXFN-UHFFFAOYSA-N 285.299 1.702 0 50 CDAA CCc1nc(O)ccc1C(=O)NCCn1cnc(C)c1C 2356163957 YJHUANOTLLPHNX-UHFFFAOYSA-N 288.351 1.593 0 50 CDAA COc1ccc(CN2CCC[C@]23CCCN(C)C3=O)cn1 2356165620 LMLKELJIJKAYOE-INIZCTEOSA-N 289.379 1.677 0 50 CDAA Cn1c(=O)n(C)c2cc(N3CCCCC3)c(N)cc21 4708969 ZOMSUTGXSSYGLG-UHFFFAOYSA-N 260.341 1.450 0 50 CDAA Cc1cccc(C)c1NC(=O)CN1CCC(C(N)=O)CC1 4834006 BCLHJCJSNPETKF-UHFFFAOYSA-N 289.379 1.439 0 50 CDAA COc1cccc(CNCc2ccco2)c1OCC(N)=O 4999692 QYOSIQZHQXXZPG-UHFFFAOYSA-N 290.319 1.442 0 50 CDAA CC1(C)CN(C(=O)COCCOc2ccccc2)C[C@H]1O 225738503 VNXICGRHDFNWAC-CQSZACIVSA-N 293.363 1.311 0 50 CDAA CCc1ccccc1NC(=O)C[C@@H]1SC(=N)NC1=O 9014221 YZLYNJOOOQCIFT-JTQLQIEISA-N 277.349 1.744 0 50 CDAA Cc1nsc(NC(=O)N2CCC[C@@](C)(O)C2)n1 55401355 AAVSGBPNWVVPIY-SNVBAGLBSA-N 256.331 1.225 0 50 CDAA NC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 55053949 JYLPLDCEDOFEJD-UHFFFAOYSA-N 288.178 1.601 0 50 CDAA COc1ccc2c(c1)OC[C@H](C(=O)NC1CCOCC1)C2 64394069 OAXXXHKXKDVAGT-GFCCVEGCSA-N 291.347 1.542 0 50 CDAA Cc1cc2nc(CN[C@@H](C)Cn3cncn3)[nH]c2cc1C 67785655 VLQXAMOEFNUJPI-LBPRGKRZSA-N 284.367 1.950 0 50 CDAA C[C@@H]1CN(C[C@H]2CCCCO2)CCN1Cc1nccn1C 248131541 NIAXHGPKRGJJAJ-HUUCEWRRSA-N 292.427 1.495 0 50 CDAA C[C@@H](NC(=O)CN1CCCC[C@H]1C(N)=O)c1ccccc1 248378930 LBPHCHXZPCFGHQ-OCCSQVGLSA-N 289.379 1.204 0 50 CDAA C1CC[C@H](OCCN2CCOC[C@]23CCOC3)OC1 249607386 RMJOFSLVEWRJKK-UONOGXRCSA-N 271.357 1.021 0 50 CDAA CC[C@@H](C)CNC(=O)NCc1nc(-c2ccncc2)n[nH]1 422206534 KKQQZEKSSHFWGH-SNVBAGLBSA-N 288.355 1.712 0 50 CDAA Cc1ncc(CNc2ccc(C(N)=O)c(F)c2)cn1 349764411 OBCPTZUPMRANQK-UHFFFAOYSA-N 260.272 1.635 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CN[C@H](C)Cn1cccn1 328630473 PXMLEDWQFHFYKW-MGPQQGTHSA-N 251.374 1.922 0 50 CDAA C=CC(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1 328600109 VQSNIMHNQQQRFU-JTQLQIEISA-N 267.329 1.948 0 50 CDAA O=C(N1CCC[C@H](c2ccn[nH]2)C1)C1(Cn2cccn2)CC1 67954459 CIURYCNCWNAVSG-ZDUSSCGKSA-N 299.378 1.793 0 50 CDAA CC(C)CN1CCN(Cc2ccoc2)[C@@H](CCO)C1 32523739 TYQLEBGYFUCJNH-HNNXBMFYSA-N 266.385 1.804 0 50 CDAA CCCn1cc(CN2CCO[C@@H]3CCN(CC)C[C@@H]32)cn1 354129485 DDOYIVSAZWDHKL-JKSUJKDBSA-N 292.427 1.588 0 50 CDAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1cccn1C 252517839 SRJCUJJWDMOGNA-TZMCWYRMSA-N 299.440 1.175 0 50 CDAA Cc1nnc(CNC(=O)c2cccc(-n3cccn3)c2)o1 77320130 LJOCCMFCBVYSDC-UHFFFAOYSA-N 283.291 1.494 0 50 CDAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(C)nc(C)c1 216091582 KJZWFZXKVVCRRJ-TVQRCGJNSA-N 250.342 1.835 0 50 CDAA Cc1nn(C)c(C)c1C(=O)NCCc1cc(C)n(C)n1 253401193 MPEMRFDDNIJTSX-UHFFFAOYSA-N 275.356 1.051 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccnn1C 124563707 ZBOSTKYEFIBWBR-ZYHUDNBSSA-N 266.345 1.603 0 50 CDAA COC[C@@H]1CN(Cc2ncnn2C(C)C)CC(C)(C)O1 330523031 JGWHAIOPMDUUJA-LBPRGKRZSA-N 282.388 1.485 0 50 CDAA C[C@@]1(C(=O)Nc2cnn(CC(=N)O)c2)CCCOC1 330767435 LKWRLSUGNPBRQJ-GFCCVEGCSA-N 266.301 1.174 0 50 CDAA COCCC1(NC(=O)c2cn3cccnc3n2)CCCC1 126138062 DZNUZLPLNRCGSH-UHFFFAOYSA-N 288.351 1.808 0 50 CDAA Cc1ccnc(OCC(=O)NCc2ccc(F)cc2)n1 77134190 QQXNHMOEYWXLIN-UHFFFAOYSA-N 275.283 1.619 0 50 CDAA COC(=O)[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C 38777680 ROHLQPZIUYTLGR-VIFPVBQESA-N 257.286 1.128 0 50 CDAA in-vitro c1cc2nonc2cc1CN1CCCn2cncc2C1 72134466 KEIOVMKZRNKLLP-UHFFFAOYSA-N 269.308 1.825 0 50 CDAA Cc1cc(=N[C@@H]2CCN(C3CCOCC3)C2=O)cc[nH]1 376319793 FBDCQASLVJBMFH-CQSZACIVSA-N 275.352 1.004 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)CSC(F)(F)F)C1 156215512 PUHOHNAGMSDDOL-SFYZADRCSA-N 270.320 1.825 0 50 CDAA CO[C@@H]1COC[C@@H]1NC(=O)Nc1ncc(C(C)(C)C)s1 333866000 ODHILZJOGUCWKT-DTWKUNHWSA-N 299.396 1.976 0 50 CDAA COc1ccccc1C1CCN(C(=O)CNC(N)=O)CC1 220264676 PAIYDKIXDOZGPS-UHFFFAOYSA-N 291.351 1.070 0 50 CDAA CN1CC[C@H]2CCN(C(=O)c3cc(C4CC4)on3)[C@H]2C1 240333281 FCSOOITZNUIIQC-GWCFXTLKSA-N 275.352 1.718 0 50 CDAA Cc1cc(Cl)cc2c(=O)n([C@H]3CCN(C)C3=O)cnc12 43016801 VSIUYDHGARJEMM-NSHDSACASA-N 291.738 1.762 0 50 CDAA C[C@]1(CNC(=O)c2cccc(OC(F)F)c2)CCC(=O)N1 457173911 OIRIIDKFYLVLEI-CQSZACIVSA-N 298.289 1.687 0 50 CDAA O=C(c1cncc(-c2ccncc2)n1)N1CCOCC1 426646944 ACTYVKMMQGWSAO-UHFFFAOYSA-N 270.292 1.011 0 50 CDAA CCCSCC(=O)N(C)CCn1ccnc1C 222829831 KCUYJOZSTRFJHG-UHFFFAOYSA-N 255.387 1.793 0 50 CDAA COc1cccc(CN[C@H]2CCC[C@]2(C)CO)n1 225570191 MOUPIAWKSNHACU-GXTWGEPZSA-N 250.342 1.731 0 50 CDAA Cc1ccc(-c2cc(C(=O)NCCC(=O)O)n[nH]2)c(C)c1 263582939 ZGBPUMMDXSOXCZ-UHFFFAOYSA-N 287.319 1.898 0 50 CDAA Cc1noc(C)c1[C@H]1CCCN1C(=O)CN1CCOC1=O 220162984 RGNPEEKGQLKZOH-LLVKDONJSA-N 293.323 1.407 0 50 CDAA CCOc1cc(=O)n2c(c1C(=O)OC)CCCC2 221631463 HAMWBYNINQXPOT-UHFFFAOYSA-N 251.282 1.370 0 50 CDAA O=C(O)CC1(NC(=O)c2n[nH]cc2Cl)CCCCC1 426596615 OOYBONXXZKMRAO-UHFFFAOYSA-N 285.731 1.971 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)CCc1cc(Cl)no1 426489554 NOVBAXRWSUPFBF-SECBINFHSA-N 286.715 1.726 0 50 CDAA C=CC(=O)NCCC(=O)N1CCc2ccccc2[C@@H]1C 178526226 ZLXXHUFHYIGOMO-LBPRGKRZSA-N 272.348 1.825 0 50 CDAA CC(=O)c1ccc(C(=O)N2CC=C[C@@H]2C(=O)O)s1 426580978 LSMZEDWWAWFKIY-MRVPVSSYSA-N 265.290 1.416 0 50 CDAA CC1(C)CNC(=O)c2nc([C@H]3CCCCO3)[nH]c2C1 95363995 VHZIOSOWSKZGMD-SNVBAGLBSA-N 263.341 1.963 0 50 CDAA Cn1cc(NC(=O)NCCCNc2cccnc2)cn1 96138578 CQIDPQGVWVZIDV-UHFFFAOYSA-N 274.328 1.439 0 50 CDAA CCN(CC(=O)O)[C@@H]1CCN(c2ccccc2)C1=O 236996400 GSYIGWNNBNJOSE-GFCCVEGCSA-N 262.309 1.198 0 50 CDAA NC(=O)[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1 92735475 UWXNVFUYVZXQMZ-ZIYVKSGCSA-N 264.300 1.025 0 50 CDAA CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(C)c2)C1 335143006 SDLQSEYQNYLWNS-GFCCVEGCSA-N 296.392 1.060 0 50 CDAA CCOC(=O)[C@@H]1ON2CCCC[C@@H]2[C@]1(O)C(F)(F)F 239403204 RPWHQXMROMNIFP-KHQFGBGNSA-N 283.246 1.011 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccn1C 91893491 VGBAHDBSJAILNI-ZDUSSCGKSA-N 277.368 1.498 0 50 CDAA C[C@@H](c1ccncn1)N(C)C(=O)CCCN1CCCC1=O 244764052 PAKIONHGYZOIGE-LBPRGKRZSA-N 290.367 1.399 0 50 CDAA CCN(C)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C(C)C 295615737 MTQXISUASDDIMN-AWEZNQCLSA-N 292.379 1.928 0 50 CDAA CN1CCCC[C@@H]1CN1CCN(c2ccc(O)cc2)CC1 244626789 FSVMOSNTZYVOKD-MRXNPFEDSA-N 289.423 1.999 0 50 CDAA CC(C)(C)[C@@H]1CN(c2nc(=N)[nH]c(=N)[nH]2)c2ccccc21 624160715 IDDYSIZYEXPGOW-SNVBAGLBSA-N 284.367 1.978 0 50 CDAA CC[C@H](NC(=O)CCc1cnn(C)c1)c1ncnn1CC 534645926 PXKIBUUFAJTFEF-LBPRGKRZSA-N 290.371 1.232 0 50 CDAA CCCn1ccnc1CNC(=O)c1ccnc(OC)c1 534590255 STNJTHGGYMKUQX-UHFFFAOYSA-N 274.324 1.627 0 50 CDAA O=C(NCc1cccc(Cl)c1F)N1CC(O)C1 534661868 RVEXLLSUUYHDDB-UHFFFAOYSA-N 258.680 1.365 0 50 CDAA COc1ccc(NC(=O)N[C@@H]2CCOC2)cc1NC(C)=O 299773441 BEQMZBCKLOERAA-LLVKDONJSA-N 293.323 1.564 0 50 CDAA N[C@H]1CCN(C(=O)Nc2snnc2-c2ccccc2)C1 299801084 VRQRXQJXPDEWDL-JTQLQIEISA-N 289.364 1.770 0 50 CDAA CCc1nc(CN(C)Cc2cnc(N(C)C)s2)no1 823576072 DFURXOMZPVUORQ-UHFFFAOYSA-N 281.385 1.787 0 50 CDAA O=S(=O)(NCc1nc2ccc(F)cc2[nH]1)N1CCCC1 826607781 NFEOXIHYAHTXEO-UHFFFAOYSA-N 298.343 1.132 0 50 CDAA CCOCCN1CCC(CNC(=O)c2ccon2)CC1 823331711 QPNHEOWARQHOQD-UHFFFAOYSA-N 281.356 1.153 0 50 CDAA C[C@H](NC(=O)CCS(C)(=O)=O)c1ccc2[nH]ccc2c1 827996474 HNMHXCOVHGMLRX-JTQLQIEISA-N 294.376 1.780 0 50 CDAA CC(C)CC(C)(C)NC(=O)[C@H]1CSC(C)(C)C(=O)N1 670442277 PBRDYKBWBCLOTQ-SNVBAGLBSA-N 286.441 1.938 0 50 CDAA COc1ccccc1CC(=O)NCCn1cnc(C)c1C 670453708 XXXVXXONVAYBLY-UHFFFAOYSA-N 287.363 1.867 0 50 CDAA O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)NC1CCCC1 685939705 BOASFOHSGSGYOE-UONOGXRCSA-N 281.400 1.482 0 50 CDAA O=C(c1cn2c(n1)COCC2)N1CCOC[C@@H]1CC1CC1 886474621 UZFNTPLHEYRXFN-LBPRGKRZSA-N 291.351 1.054 0 50 CDAA COc1ccnc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)n1 1565529291 XVAQCVWINCXNHM-GHYVTOPFSA-N 290.367 1.149 0 50 CDAA Cc1ccncc1N1CCN(C(=O)[C@](C)(O)C(C)C)CC1 408260682 HZZLXXFICZATRA-MRXNPFEDSA-N 291.395 1.446 0 50 CDAA CCC(CC)N1C[C@H](C(=O)N[C@H](C)c2cn[nH]c2)CC1=O 270225651 MDGYKSZURQNXBH-GHMZBOCLSA-N 292.383 1.624 0 50 CDAA CCOCC(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 170605861 KBJLEMQYEJSWKP-SNVBAGLBSA-N 296.333 1.802 0 50 CDAA O=C(O)[C@@H](O)c1ccc(O)c(OC(F)(F)F)c1 514284317 AWEMPCNWIXXQSP-ZETCQYMHSA-N 252.144 1.409 0 50 CDAA Cc1occc1[S@@](=O)Cc1nnnn1-c1ccccc1 170606446 HVHOYTNLCZBGNB-FQEVSTJZSA-N 288.332 1.872 0 50 CDAA Cc1cccc(OCCN(C)c2nc(=O)c3cn[nH]c3[nH]2)c1 170598837 YYCIWRSDYOQNCZ-UHFFFAOYSA-N 299.334 1.470 0 50 CDAA COc1nc(C)cc(=N[C@H]2CC(=O)N(C(C)(C)C)C2)[nH]1 583412075 PCAXWFUVSSZGEN-JTQLQIEISA-N 278.356 1.027 0 50 CDAA C[C@@H]1CCN(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)C1 632645971 ZCDTXWPKCQYOGN-RKDXNWHRSA-N 291.277 1.433 0 50 CDAA Cn1c(CN[C@@H]2CCCN(CCO)C2)cc2ccccc21 638530313 RFMPLISPSFHNFW-OAHLLOKOSA-N 287.407 1.725 0 50 CDAA CCOc1cnc(C(=O)N[C@H]2CCCN(CC)C2)cn1 189202237 ZFQPCATYXNSUQA-NSHDSACASA-N 278.356 1.089 0 50 CDAA OCc1ccc(-c2cn(CCC[C@@H]3CCOC3)nn2)cn1 641070733 LKIYJJIESRSTKW-GFCCVEGCSA-N 288.351 1.649 0 50 CDAA NC(=O)c1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)o1 565659653 GGTJUIXEHQMQFF-ZDUSSCGKSA-N 298.342 1.800 0 50 CDAA O=C(Nc1nc[nH]n1)c1sc(N2CCCC2)nc1Cl 746871556 FOBPSPXKHFKMGK-UHFFFAOYSA-N 298.759 1.767 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2C[C@H]1CS2 578667150 HYJJHDONRUTJHA-IUCAKERBSA-N 277.349 1.390 0 50 CDAA O=C(N1CC[C@H](c2ccccc2)C1)C12CC(CN1)C2 694785757 URVAUKRKZPKBSU-UGWHAMFMSA-N 256.349 1.755 0 50 CDAA Cc1ccc(N2CCCC2)c(C(=O)N[C@H]2CNC(=O)C2)c1 779372005 JMHRDFUZCJPTTJ-GFCCVEGCSA-N 287.363 1.214 0 50 CDAA Cc1ccc(OCCN(C)C(=O)N[C@@H](C)C(=O)O)cc1 1506395831 IXJJHVSMMVVFRR-NSHDSACASA-N 280.324 1.488 0 50 CDAA Cc1cc(C)n(CCCC(=O)N2CCCNC(=O)[C@@H]2C)n1 1615058708 UXAQHJBDBBGTKP-ZDUSSCGKSA-N 292.383 1.017 0 50 CDAA CN(CC(CO)CO)C(=O)c1cc(F)c(Cl)cc1F 1615554074 WKQJBUIUGCPJSR-UHFFFAOYSA-N 293.697 1.291 0 50 CDAA CCc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)s1 1616112423 LLMKMLCZMPWJSF-IUCAKERBSA-N 279.358 1.014 0 50 CDAA CCn1ncnc1CN1CC(n2nc(C)cc2C)C1 215813848 ISVBLCAYNKCQNO-UHFFFAOYSA-N 260.345 1.168 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)c2cc(C)nc(N)n2)cn1 219456635 DPIMTUVNTBRUND-SNVBAGLBSA-N 271.324 1.562 0 50 CDAA Cc1ncsc1CCNC(=O)[C@@H](N)C(C)(C)C 220548417 DYDMYBBSGVZPAT-SNVBAGLBSA-N 255.387 1.484 0 50 CDAA CCNC(=O)c1ccc(N(C)Cc2c[nH]nc2C)nc1 1529095245 QDCTYSPGJDUVFQ-UHFFFAOYSA-N 273.340 1.499 0 50 CDAA Cc1ccc(OCCN2CC[C@@H](O)[C@@H](CO)C2)c(C)c1 1529153760 VAKHUIONFUVZRO-HUUCEWRRSA-N 279.380 1.357 0 50 CDAA NC(=O)c1csc(C(=O)NC[C@H]2CC[C@@H](F)C2)c1 1857530704 YEOXJSXBLLRKRQ-IONNQARKSA-N 270.329 1.715 0 50 CDAA CN1CCO/C1=C(C#N)\C=C1\Nc2ccccc2C1=O 448197 STPIOLQIKOSAJA-LFLKHMTOSA-N 267.288 1.876 0 50 CDAA CC[C@]1(O)CCN(C(=O)/C=C/c2ccccc2)C[C@@H]1O 212984121 ANGFSQYDYBLDGD-IVFUDNFBSA-N 275.348 1.434 0 50 CDAA O=C(NC1CCC1)[C@H]1CC(=O)N(c2nccs2)C1 365844851 TXFYZESEFHMFTD-QMMMGPOBSA-N 265.338 1.165 0 50 CDAA CN1CCC[C@]2(CCN(C(=O)Cc3cccnc3)C2)C1=O 15078200 CEDMTAHCTPRLRD-MRXNPFEDSA-N 287.363 1.095 0 50 CDAA NC(=O)c1cccnc1N1CCO[C@H](Cc2ccccc2)C1 15080526 XCJHLUKZAAZKCZ-CQSZACIVSA-N 297.358 1.628 0 50 CDAA C[C@H](c1ccccc1)N1C(=O)C[C@H](N2CCOCC2)C1=O 19881624 WAAUHEXNMRRHAK-OCCSQVGLSA-N 288.347 1.207 0 50 CDAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CO)CC2 1857701758 VJNSBJSNHNHHDG-UHFFFAOYSA-N 285.347 1.007 0 50 CDAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)Cn1cccc1 1857670499 QQVCIVULDRJXKL-GUTXKFCHSA-N 262.353 1.640 0 50 CDAA O[C@H]1CNC[C@@H]1n1ccnc1-c1ccnn1-c1ccccc1 1857674648 RLTWPGYZPGIBCO-GJZGRUSLSA-N 295.346 1.241 0 50 CDAA Cn1nc(C2CC2)cc1-c1ncnn1[C@@H]1CCOC1 1857674882 BPPZAKDBWAHJHK-SNVBAGLBSA-N 259.313 1.517 0 50 CDAA O=C1C[C@H]2N(Cc3cc4ccccc4o3)CC[C@]23OCCN13 1857724092 LSHJOPGXILDBLA-WBVHZDCISA-N 298.342 1.966 0 50 CDAA C[C@H]1CN(C[C@H]2CCCN2C(=O)CC(C)(C)N)C[C@@H](C)O1 237675608 BVKZQLSZIUNXBR-HZSPNIEDSA-N 297.443 1.214 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(-c3ccc(C)o3)n2CC1 601044088 NFBRUUNGWFTBKU-SNVBAGLBSA-N 275.308 1.972 0 50 CDAA COC(=O)C[C@H]1CN(Cc2cccc(N)c2)CCO1 408519027 SSVSHNMPKLWXSX-ZDUSSCGKSA-N 264.325 1.033 0 50 CDAA Cc1cc2c(cc1C)N[C@H](CC(=O)NC(C)C)C(=O)N2 4189067 QPZLGDYGWUUTHS-CYBMUJFWSA-N 275.352 1.951 0 50 CDAA O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(F)F 241897265 TXCZLRLJWWWGPR-OLZOCXBDSA-N 298.333 1.251 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 261883788 SBKHPWHCUGDIQB-MRVPVSSYSA-N 292.316 1.950 0 50 CDAA C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](C)O[C@]2(CCOC2)C1 376670754 IPCNPUWRAVYMKX-TYNCELHUSA-N 284.400 1.169 0 50 CDAA Cc1cc(C)n(-c2ccc(NC3CCN(C)CC3)nn2)n1 265575778 MGJUPGWBLWHTFA-UHFFFAOYSA-N 286.383 1.785 0 50 CDAA C[C@H](C(=O)N1[C@H]2CC[C@H]1c1ccccc12)S(C)(=O)=O 265708132 HNDYACQBPLYNDG-ICCXJUOJSA-N 279.361 1.838 0 50 CDAA CNc1ccccc1CN[C@H]1CCc2nnnn2CC1 902600935 IHZAJJRMUALAQZ-LBPRGKRZSA-N 272.356 1.210 0 50 CDAA c1cc(Cn2cc(-n3cccc3)cn2)cc(-c2nn[nH]n2)c1 826516308 GFLNQRYIPHNSQQ-UHFFFAOYSA-N 291.318 1.902 0 50 CDAA Cc1ccc(C(N)=O)cc1OCC[C@@H]1CCCC(=O)O1 1875281165 SHJXGFNPQSIWMD-LBPRGKRZSA-N 277.320 1.959 0 50 CDAA CN1CCCc2ccc(NC(=O)NCc3cnn[nH]3)cc21 1875296550 CXGCCWPVFKLLML-UHFFFAOYSA-N 286.339 1.509 0 50 CDAA NCc1cc(C(=O)N2CCC[C@H](N)C2)sc1Cl 1875287510 MFWCUAWMEOAKGR-QMMMGPOBSA-N 273.789 1.424 0 50 CDAA COc1ccc(-c2cncnc2)cc1CNC1(C(N)=O)CC1 1875269917 ATMRWRVMWDMIGP-UHFFFAOYSA-N 298.346 1.260 0 50 CDAA CCc1nc(O)cc(CN[C@@H]2C[C@H](O)C23CCC3)n1 1875281595 JMQRYPZAZLZTEO-MNOVXSKESA-N 263.341 1.138 0 50 CDAA N=c1cc(N2CCC[C@@H](Cn3cncn3)C2)c(Cl)c[nH]1 1875271945 SGPGAVUWPDVKDC-SNVBAGLBSA-N 292.774 1.656 0 50 CDAA O=C(N[C@H]1CC[C@@H](O)C1)c1ccc(OC(F)F)nc1 1875271736 OMASLTDSVYSXMM-DTWKUNHWSA-N 272.251 1.326 0 50 CDAA C[C@@H](C(=O)NS(C)(=O)=O)c1cc2ncccc2o1 1875382692 MFGAUMRENQENKX-SSDOTTSWSA-N 268.294 1.007 0 50 CDAA CN1CC[C@@H](OC(=O)c2c[nH]nc2-c2cccs2)C1=O 1875305146 IRDVXMGJTPCKIW-SECBINFHSA-N 291.332 1.526 0 50 CDAA Cc1cc(NCc2cc(C(=O)O)n[nH]2)n2nc(C)cc2n1 1875333111 BCLWPDDWCMBTMV-UHFFFAOYSA-N 286.295 1.380 0 50 CDAA CS[C@H](C)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248106338 GAYVOXCCMSEGAX-IJLUTSLNSA-N 256.415 1.823 0 50 CDAA Cn1cc(Cl)cc1C(=O)N[C@]1(c2ncc[nH]2)CCOC1 886093398 JZMFOQYMILBJMB-CYBMUJFWSA-N 294.742 1.447 0 50 CDAA CO[C@H]1CCN([C@H]2CCC[C@H]2NCc2nnc(C)o2)C1 886082560 OQLRDRMXFIQCJQ-XQQFMLRXSA-N 280.372 1.109 0 50 CDAA C[C@H]1C[C@H]1C(=O)NCc1ccc(-c2nc[nH]n2)cc1 1775992669 MEOCEQQHKHSNKJ-JOYOIKCWSA-N 256.309 1.744 0 50 CDAA O=C(O)[C@@H]1CC[C@@H](C(=O)N[C@H]2C[C@H]3C=C[C@H]2CC3)O1 899847802 QUNFYUGZJZNUAK-HTFCKZLJSA-N 265.309 1.090 0 50 CDAA O=C(c1ccc2c(c1)CCCC2)N1CCOC[C@@H]1CO 168630176 NSZAXSUQHHSHKU-HNNXBMFYSA-N 275.348 1.399 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2-c2ccc(C)o2)C1 260467651 ROUFWNMBDHSZNA-VIFPVBQESA-N 261.281 1.582 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)N1CCOC2(CCCCC2)C1 263522054 HRWZZPAVYGCFFI-QWRGUYRKSA-N 267.325 1.269 0 50 CDAA Cc1ccc(O)c(C(=O)N(C)[C@H]2CCCCNC2=O)c1 362335402 KSQGVWIXEZIZQN-LBPRGKRZSA-N 276.336 1.441 0 50 CDAA COCc1nc(CN2CCc3ccccc3CC2)no1 679534739 MUUUWWQQVOKFQO-UHFFFAOYSA-N 273.336 1.817 0 50 CDAA Cc1ccc(N2C(=O)C[C@@H](Sc3nnc[nH]3)C2=O)cc1 18122400 SAPBJHBAACSRFO-SNVBAGLBSA-N 288.332 1.537 0 50 CDAA COc1ccc(OCCCNC2=NCCCCN2)cc1 849215504 NJMHUXGGRLPTTK-UHFFFAOYSA-N 277.368 1.793 0 50 CDAA O=c1c2ccccc2n2c(O)nnc2n1-c1ccccc1 1307817 YNJRWDBNJZZHNY-UHFFFAOYSA-N 278.271 1.739 0 50 CDAA Cc1ccc(S(=O)(=O)C2=CCS(=O)(=O)C2)cc1 1395937 FYBHTOTWYLRZGD-UHFFFAOYSA-N 272.347 1.081 0 50 CDAA CC(C)OC(=O)N[C@H](O)C(Cl)(Cl)Cl 2141213 FFEQAEQESABLOR-SCSAIBSYSA-N 250.509 1.810 0 50 CDAA COCCNS(=O)(=O)c1c(C)cc(C)cc1C 2494420 WOYRSWOYWLFJRE-UHFFFAOYSA-N 257.355 1.537 0 50 CDAA C[C@H](Cc1cnccn1)N(C)Cc1ccn2ncnc2c1 2356165139 VJISOMWORCNYCH-GFCCVEGCSA-N 282.351 1.582 0 50 CDAA CC(C)=C(NC(=O)c1ccccc1)C(=O)N1CCOCC1 2901150 PSKLZOPZDSYZCI-UHFFFAOYSA-N 288.347 1.569 0 50 CDAA COC(=O)c1ccccc1NC(=O)c1ccc[n+]([O-])c1 3138837 PEIMWOZPIFNYLR-UHFFFAOYSA-N 272.260 1.359 0 50 CDAA Cc1cc(OCC(=O)NCC(=O)O)cc(C)c1Cl 4136944 AASICLWMQFCHOT-UHFFFAOYSA-N 271.700 1.536 0 50 CDAA O=C(CSc1ccccc1)NN1CCOCC1 4750260 IKGMEWVYPJRICD-UHFFFAOYSA-N 252.339 1.142 0 50 CDAA O=C(NCCCNC(=O)c1ccccn1)c1cccnc1 6700941 HVMPAPDVKHEZIY-UHFFFAOYSA-N 284.319 1.027 0 50 CDAA CC(=O)Nc1ccccc1N1CCN(C(C)=O)CC1 8904607 LRJWBHXRBUEXRO-UHFFFAOYSA-N 261.325 1.314 0 50 CDAA COC(=O)c1cccc(NC(=O)c2ccon2)c1N 225554839 FYISJSLRSORXJJ-UHFFFAOYSA-N 261.237 1.296 0 50 CDAA NC(=O)C1=NO[C@H](CNCc2ccccc2Cl)C1 225601357 XYUMUGDNSFKQTP-VIFPVBQESA-N 267.716 1.060 0 50 CDAA CCS[C@H](C)C[C@@H]1CC(=O)CC(=O)[C@@H]1C(=O)OC 100837945 CVZKLPQJZINCBZ-KBVBSXBZSA-N 272.366 1.856 0 50 CDAA CCNS(=O)(=O)c1ccccc1N1CCCC1 310343076 DKQQMRKLIUDMPG-UHFFFAOYSA-N 254.355 1.585 0 50 CDAA Cc1nc(-n2cnnc2)ccc1-c1ccc(C(N)=O)cc1 67895888 UXUSRBDBKZNCSO-UHFFFAOYSA-N 279.303 1.737 0 50 CDAA CNC(=O)[C@@H]1CCC[C@H]1NC(=O)CCc1ccncc1 345909724 JATXZJVUNYRMRJ-CHWSQXEVSA-N 275.352 1.045 0 50 CDAA Cc1cc(C)n(-c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)n1 65380298 HZBKJGKGMCTRRF-LBPRGKRZSA-N 299.330 1.927 0 50 CDAA COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)ccc1F 119413765 QLZQXFSIUOUACD-ZYHUDNBSSA-N 294.326 1.608 0 50 CDAA COCc1cc(C)c2c(N)c(C(N)=O)sc2n1 36747 LFKLESQIFQYMHC-UHFFFAOYSA-N 251.311 1.432 0 50 CDAA O=C(O)Cc1ccccc1S(=O)(=O)C(F)F 128546105 UCWUCWSQVMGESD-UHFFFAOYSA-N 250.222 1.310 0 50 CDAA Cc1nc(CCCNC(=O)[C@@H]2CCC(=O)N2)sc1C 219860544 JUQMHWONYGCQAW-JTQLQIEISA-N 281.381 1.087 0 50 CDAA CN1CCN(S(=O)(=O)C2CC2)[C@H](c2ccccc2)C1 122751976 NFDVRQMAMXKUTJ-AWEZNQCLSA-N 280.393 1.467 0 50 CDAA Cn1ccnc1C(=O)N1CCCC[C@@H]1CN1CCCC1 215695354 UAVVQYHULSTLNB-CYBMUJFWSA-N 276.384 1.511 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2CCCOC(C)C)n1 328628366 NRFMTNTXZKMLRN-VXGBXAGGSA-N 269.345 1.301 0 50 CDAA CC(C)(C)OC(=O)NC1CCN(C2CCNCC2)CC1 37373683 HKBOBJSFRQIKQQ-UHFFFAOYSA-N 283.416 1.728 0 50 CDAA CC[C@@H]1C[C@H](CNC[C@H]2CCCCS2(=O)=O)CCO1 329592510 ZJVYWRBGRXLILC-MGPQQGTHSA-N 289.441 1.749 0 50 CDAA CC[C@H](NC(=O)c1cc(C2CC2)no1)[C@@H](O)C(F)(F)F 281987419 PGTHELCZRMTZDW-OIBJUYFYSA-N 292.257 1.984 0 50 CDAA Cc1cccc2nc(CNC(=O)[C@H]3CCCCO3)cn12 122951742 DOOKPPRHCGIVSX-CYBMUJFWSA-N 273.336 1.828 0 50 CDAA CN(CCCc1nccn1C)c1ncc(F)c(O)n1 32509043 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COc1ccc(CN2CCC[C@H](O)CC2)cc1C(=O)O 584900346 NOWKPDZXWGYEQZ-LBPRGKRZSA-N 279.336 1.740 0 50 CDAA C[C@H](NCCCNc1ccccc1)c1cnnn1C 585134583 AVEQMTWWRWWCLW-LBPRGKRZSA-N 259.357 1.968 0 50 CDAA O=C1CN(CC2=Cc3cc(Cl)ccc3OC2)CCCN1 670443014 VEXKBHMGDYSDFF-UHFFFAOYSA-N 292.766 1.938 0 50 CDAA CNCc1nc(-c2ccco2)nn1CC(C)(C)O 952872231 KYNKCUWSIXWTJY-UHFFFAOYSA-N 250.302 1.028 0 50 CDAA CC(C)n1ccc(C(=O)NCc2cc3n(n2)CCCO3)n1 408517175 BAHPLAQNUUOKIX-UHFFFAOYSA-N 289.339 1.373 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)Nc1nc2cccnc2n1C 277092289 RYGUFKXBZQQUED-NXEZZACHSA-N 274.324 1.722 0 50 CDAA Cc1ccc(CNC(=O)c2cc(Cl)cn2C)c(=O)n1C 278448088 VUFJGZRXTXRMAX-UHFFFAOYSA-N 293.754 1.616 0 50 CDAA CC(C)n1ncnc1Cn1nc(C(F)(F)F)ccc1=O 278739812 QFURNIBFAJAOTR-UHFFFAOYSA-N 287.245 1.483 0 50 CDAA COC(=O)c1ccc(N2CCC[C@@H](N(C)C)C2)nc1OC 170598861 VIIYRVHJKUQIMO-LLVKDONJSA-N 293.367 1.407 0 50 CDAA Cc1cc(C)n2ncc(C(=O)N3CCC(=O)[C@@H](C)C3)c2n1 170601724 KRWVIIOCCVPVSN-VIFPVBQESA-N 286.335 1.397 0 50 CDAA CO[C@H](C)c1cccc(NC(=O)C(=O)NCC2CC2)c1 170620474 LBBBTBWVMCNACD-SNVBAGLBSA-N 276.336 1.859 0 50 CDAA CC(C)n1nnnc1CN1CC[C@]2(C1)OCc1ccccc12 186611893 HVSGXMPGNQPFFN-MRXNPFEDSA-N 299.378 1.885 0 50 CDAA OCc1cn([C@@H]2CCCN(CCc3cccnc3)C2)nn1 550225745 OEMASBUNMACICD-OAHLLOKOSA-N 287.367 1.045 0 50 CDAA COC[C@H](C)n1c(=O)ncn1-c1cc(C)ccc1C 189324121 GYRFXWUSKWZUGO-LBPRGKRZSA-N 261.325 1.858 0 50 CDAA C[C@@H]1NCC[C@@H]1C(=O)NCc1ncc(-c2ccccc2)o1 583497480 QVFHSHXUSPOARI-AAEUAGOBSA-N 285.347 1.956 0 50 CDAA C[C@H](NC(=O)c1cccc(C(=O)O)c1)[C@@H]1CCCNC1 585090313 YGNOOXTXDUUMEF-GXFFZTMASA-N 276.336 1.503 0 50 CDAA O=C(NCc1nccs1)[C@@H]1CCN1C1CCCC1 585121402 OKLNXAMTJRUPLD-NSHDSACASA-N 265.382 1.776 0 50 CDAA CC(C)CO[C@@H](C)C(=O)NCCc1cn2cccnc2n1 585130883 FFZMNUHZYVFAKS-LBPRGKRZSA-N 290.367 1.449 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(F)cc(F)c1 643847972 SZOZSGDVLUYGDC-CQSZACIVSA-N 299.273 1.671 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)COCC2CC2)C1 644118659 STHZGYJXTWTXST-NEPJUHHUSA-N 279.340 1.125 0 50 CDAA CO[C@H]1CCC[C@@H]1CN=c1[nH]c(=N)[nH]c2c1CCCC2 645204958 CXSPIVGCKRFHGB-MFKMUULPSA-N 276.384 1.417 0 50 CDAA c1cc(N2CCN(CC3CCNCC3)CC2)ccn1 682702675 CVRVGAGUVACJDT-UHFFFAOYSA-N 260.385 1.203 0 50 CDAA C[C@@H]1CCNC(=O)[C@H]1Nc1ncc(Br)cn1 193523451 CJUZMCSAKMKEHO-SVRRBLITSA-N 285.145 1.176 0 50 CDAA CN1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)C1=O 194982945 YPWBIRURZQQPJP-YNEHKIRRSA-N 291.326 1.212 0 50 CDAA C[C@@H](NC(=O)c1cc(Cl)cn1C)c1nccc(=N)[nH]1 566555897 YPHROQHIMVLSBX-SSDOTTSWSA-N 279.731 1.372 0 50 CDAA C[C@H]1CCN(C(=O)c2nc[nH]c3nccc2-3)[C@@H](C(=O)O)C1 659156243 KJXAZCQTXPSJHV-WCBMZHEXSA-N 288.307 1.235 0 50 CDAA CO[C@]1(CO)CCCN(C(=O)NCc2cccc(C)c2)C1 663574746 HQNZWJFVGRNGAK-MRXNPFEDSA-N 292.379 1.678 0 50 CDAA COC(=O)c1cccc(CN2CCCCC2(CO)CO)c1 1615606228 VLSBRJNGYMZRBU-UHFFFAOYSA-N 293.363 1.183 0 50 CDAA CCNc1cccnc1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C 1616040451 KCMZQQONRZZXNU-BXUZGUMPSA-N 288.395 1.726 0 50 CDAA Cc1ccc(C(=O)O)c(NCCCN2CCC(O)CC2)n1 1506420285 APVHDUGUDHJCGX-UHFFFAOYSA-N 293.367 1.347 0 50 CDAA CCc1nn(C)c(NC(=O)c2cnn(CC)c2)c1C 1506398124 WCNXIBIQPOVLSD-UHFFFAOYSA-N 261.329 1.760 0 50 CDAA Cn1cc(CCn2ccnc2-c2cnsc2)cn1 1857732099 BSLCTEZKOUYEAU-UHFFFAOYSA-N 259.338 1.983 0 50 CDAA Cc1nc(CNC(=O)[C@@H]2CCCCO2)sc1C(=O)O 110788475 ITJCNNUWIYSEDF-QMMMGPOBSA-N 284.337 1.335 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCNC[C@H]1C 124366577 TXVNCXVXXBTTBC-RKDXNWHRSA-N 251.330 1.215 0 50 CDAA Cc1c[nH]cc(C(=O)Nc2ccnn2C(C)C)c1=O 334018606 PTWDGMWANWXAAW-UHFFFAOYSA-N 260.297 1.713 0 50 CDAA C[C@]1(OC(=O)c2ccc(F)c(F)c2)CCS(=O)(=O)C1 242242288 XTNMKJCFAMSVGF-LBPRGKRZSA-N 290.287 1.699 0 50 CDAA Cc1nsnc1C(=O)N1CC[C@H](O)C[C@@H]1C1CC1 1772710340 PVVUXQGECCXYOW-VHSXEESVSA-N 267.354 1.222 0 50 CDAA CN([C@@H]1C=CCCC1)[C@H]1CCC[C@H]1S(C)(=O)=O 248034023 ITBGSKFSEXMHMF-FRRDWIJNSA-N 257.399 1.993 0 50 CDAA CC1=C[C@H]2O[C@@H]3C[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 5767450 ZSRVBNXAPSQDFY-OJVARPOJSA-N 266.337 1.013 0 50 CDAA CCS(=O)(=O)N[C@@H]1CC(=O)N(CC2CCCCC2)C1 11841506 CVLDVDSVTFGYPW-GFCCVEGCSA-N 288.413 1.107 0 50 CDAA O=C([C@@H]1CC(c2ccccc2O)=NO1)N1CCCC1 13123425 AYQVEVCDPOXJRR-ZDUSSCGKSA-N 260.293 1.508 0 50 CDAA CC(C)Oc1ccccc1OCCN1CCNCC1 19973761 FXLYLSRLSIJBKI-UHFFFAOYSA-N 264.369 1.758 0 50 CDAA CCCS(=O)(=O)c1ccc2[nH]/c(=N\C(=O)OC)[nH]c2c1 5424275 CLSJYOLYMZNKJB-UHFFFAOYSA-N 297.336 1.347 0 50 CDAA world CN1C[C@H](C(=O)Nc2cccc(-c3nccn3C)c2)CC1=O 154157762 ZWKKSBSYZAQWAO-GFCCVEGCSA-N 298.346 1.504 0 50 CDAA N[C@@H]1COC2(CCN(c3cnc4ccccc4n3)CC2)C1 1857680401 IINHQVPUENPAOM-LBPRGKRZSA-N 284.363 1.716 0 50 CDAA C[C@H]1CN2C[C@@H](NC(=O)Nc3ccccc3F)C[C@H]2CO1 1857724518 ZNKLTJDPNUCKBA-SRVKXCTJSA-N 293.342 1.809 0 50 CDAA O=C([C@H]1CCn2nccc2C1)N1CCc2nocc2C1 1857726712 AKLBOVBMSDNYHC-JTQLQIEISA-N 272.308 1.018 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1cccc2[nH]ccc12 643762565 BNPMSBMKFSUNEX-MRXNPFEDSA-N 287.363 1.634 0 50 CDAA CCCn1[nH]c(=NC(=O)CCc2cccnc2)cc1C 1875250667 VUWXVVSDINNIAE-UHFFFAOYSA-N 272.352 1.990 0 50 CDAA CN(C)S(=O)(=O)c1ccccc1Br 4208966 OGYMDBJRCOBHEY-UHFFFAOYSA-N 264.144 1.699 0 50 CDAA in-vitro O=C(O)c1cc(F)cc(S(=O)(=O)N2CCCC2)c1 237987884 XGNBMNXNIZGBPR-UHFFFAOYSA-N 273.285 1.308 0 50 CDAA Cc1ccc(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 16624177 XDPNZGDFJMPKSY-QLFBSQMISA-N 279.380 1.844 0 50 CDAA CCn1nncc1C(=O)N[C@H]1c2ccc(F)cc2O[C@@H]1C 575603207 PYSVOCVHALESNV-AMIZOPFISA-N 290.298 1.689 0 50 CDAA C[C@H](C(=O)O)N(C)Cc1nc(-c2ccccc2)c[nH]1 262744188 DBXBNIYBUOFAOO-SNVBAGLBSA-N 259.309 1.982 0 50 CDAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)c1cnn2ccccc12 263535254 YWGGUSCAALRGID-WDEREUQCSA-N 287.319 1.660 0 50 CDAA Cc1cc(C(=O)Cn2cnccc2=O)c(C)n1C1CC1 267441745 WDYSOFADVDKEFQ-UHFFFAOYSA-N 271.320 1.879 0 50 CDAA CC(C)Cc1ccc(C(=O)N[C@@]2(C(=O)O)CCOC2)s1 907611547 XNVBTYINNGDJNB-AWEZNQCLSA-N 297.376 1.920 0 50 CDAA Cc1nsc2ncn(C[C@@H]3CCC4(COC4)O3)c(=O)c12 917662744 QDCAJRJXLXATGB-VIFPVBQESA-N 293.348 1.109 0 50 CDAA C=CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 820436577 CCVWURSDLGYTSC-UHFFFAOYSA-N 272.348 1.452 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccn1 858847370 HCXWMQZYYUUPSO-NSHDSACASA-N 261.325 1.245 0 50 CDAA CC[C@H]1CN(C(=O)NCc2ocnc2C)C[C@@H](C)O1 864095256 AXWSJTHXJXINIH-KOLCDFICSA-N 267.329 1.692 0 50 CDAA COC1(c2nccn2C)CN(c2ccc3nccnc3n2)C1 952881873 DPNQPEZWLQLUKX-UHFFFAOYSA-N 296.334 1.120 0 50 CDAA Cc1nocc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952848990 PMRUICIETAANKS-NWDGAFQWSA-N 276.296 1.436 0 50 CDAA O=C(Nc1cnn(-c2ccncc2)c1)[C@]12CCC[C@H]1NCC2 876749623 BDVYJMQFBGSDBR-ZBFHGGJFSA-N 297.362 1.738 0 50 CDAA CC(C)c1ccc(CC(=O)N2CC[C@H](OCCO)C2)cc1 1875307508 ONJMEOLJSSRLOR-INIZCTEOSA-N 291.391 1.962 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2ncc(Cl)cn2)C1 888077828 XNEAPUAGXSHTQJ-NXEZZACHSA-N 279.731 1.820 0 50 CDAA C[C@H]1c2ccccc2C[C@H]1NC(=O)N[C@H]1CC[S@@](=O)C1 888101663 NMFNKXKMTWVGTJ-BRTMORCKSA-N 292.404 1.535 0 50 CDAA Cn1nc(C2CC2)nc1CN1C[C@H](N)C2(CCC2)C1 1775962378 IQEWULCVQAKILG-NSHDSACASA-N 261.373 1.006 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)COC1CCCCC1 237494437 KTUWMPFMTFIWHW-RYUDHWBXSA-N 254.374 1.674 0 50 CDAA CCOC(=O)CN1CCN(c2ccccc2OC)CC1 36147603 IFZJJWRQNABGQZ-UHFFFAOYSA-N 278.352 1.380 0 50 CDAA CCNc1nc(C)cc(N2CC[C@@H](C)[C@@H](CO)C2)n1 700453942 BAZWCVRSWRPNHS-ZYHUDNBSSA-N 264.373 1.672 0 50 CDAA C[C@@H]1CCCN(CCN2C[C@@H]3CC[C@H](C2)O3)[C@@H]1C(=O)O 333643174 XQCMDYYGUPVJHS-MQYQWHSLSA-N 282.384 1.035 0 50 CDAA C[C@@H]1CNCCN1S(=O)(=O)c1cc(F)c(F)cc1F 193353516 LDOQZLXQUBNBFF-SSDOTTSWSA-N 294.298 1.086 0 50 CDAA C[C@@H](NC(=O)CCc1nn[nH]n1)c1ccc(C2CC2)cc1 2325760291 FZBWTVCNMVAZAJ-SNVBAGLBSA-N 285.351 1.887 0 50 CDAA Cc1ccc2cc(CN(C)C[C@H]3COCCN3)ccc2n1 2325776986 VZLGKTBHJMLZJH-INIZCTEOSA-N 285.391 1.963 0 50 CDAA Cc1scnc1Cn1cc([C@@]2(O)CCCNCC2)nn1 2325808660 RQZXGBLQFQOIAV-CYBMUJFWSA-N 293.396 1.052 0 50 CDAA O=C(Cn1cnc2ccccc2c1=O)NC1CCCCC1 104750 KUEYVDIRGJWTGD-UHFFFAOYSA-N 285.347 1.845 0 50 CDAA O=C(CCC1CCCCC1)Nc1c[nH]c(=O)[nH]c1=O 802309 LZGPPPRUCWLEJQ-UHFFFAOYSA-N 265.313 1.362 0 50 CDAA O=C(O)CCCNC(=O)c1cncc(Br)c1 2266507 RNPIEIFEHJKBGP-UHFFFAOYSA-N 287.113 1.439 0 50 CDAA Cc1ccc2nc(CN3C[C@H]4COC[C@@]4(CO)C3)cn2c1 2356167126 IVGCBOBOFMCSPN-BBRMVZONSA-N 287.363 1.083 0 50 CDAA CCOC(=O)CCCCSc1nc(O)c2nc[nH]c2n1 6380519 LEZZZMBQTOCMOG-UHFFFAOYSA-N 296.352 1.884 0 50 CDAA CSc1nc(C)c(I)c(=O)[nH]1 6680594 ZJXNKOCFKZYAGQ-UHFFFAOYSA-N 282.106 1.405 0 50 CDAA COc1cc2oc(=O)c(CC(=O)O)c(C)c2cc1OC 8733265 QAGBBRMCALSESL-UHFFFAOYSA-N 278.260 1.746 0 50 CDAA biogenic CCC(CC)(NC(=O)c1noc2c1CCCC2)C(N)=O 225524353 VOVRPVSXOHXSFV-UHFFFAOYSA-N 279.340 1.327 0 50 CDAA Cc1nn(CC(=O)O)c(C)c1NC(=O)NC(C)(C)C 55413375 MBADHZHYVSWXGU-UHFFFAOYSA-N 268.317 1.505 0 50 CDAA CC(=O)NCCC(=O)Nc1ccnn1[C@H](C)C(C)C 55576145 OGMFHEHTHCEMBX-SNVBAGLBSA-N 266.345 1.565 0 50 CDAA C[C@H](C(=O)O)N(c1cccc(F)c1)S(C)(=O)=O 20130832 BRJYZKCQLGVXFE-SSDOTTSWSA-N 261.274 1.065 0 50 CDAA Cc1cc(CC(=O)N(Cc2cnn(C)c2)C(C)C)on1 67675182 HWPFXXULIKEVOP-UHFFFAOYSA-N 276.340 1.696 0 50 CDAA O=C(COCC(F)(F)F)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO 305113244 DPYWWDINKZQXCA-KBIXCLLPSA-N 281.274 1.089 0 50 CDAA O=C(Cc1ccc(O)c(Cl)c1)N[C@@H]1C[C@H]2OCC[C@@H]12 1074602429 BFUQNDGYGWIUKF-UFGOTCBOSA-N 281.739 1.882 0 50 CDAA CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 35941568 VONBSZVCFHEBKP-UHFFFAOYSA-N 290.388 1.776 0 50 CDAA aggregator c1n[nH]c2c1CC[C@@H](c1nc([C@@H]3CCOC3)no1)C2 120113119 ZHKFRHYAOICTDX-PSASIEDQSA-N 260.297 1.569 0 50 CDAA CC(C)(C)OC(=O)N1CCCn2nc(C(=O)O)cc21 218611009 FJPKYMPZOKJEBL-UHFFFAOYSA-N 267.285 1.727 0 50 CDAA CCc1nc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2OC)n[nH]1 328949002 HEKIZXGRGIWPCD-XQQFMLRXSA-N 294.399 1.383 0 50 CDAA CC[C@@H](NCc1cn(C(C)C)nn1)[C@@H]1CCCO1 328593433 IOHDDOBOTVZRAI-OLZOCXBDSA-N 252.362 1.906 0 50 CDAA C1CC2(CCO1)COCCN(c1nnc(C3CC3)o1)C2 329367465 IWOJYKIYTDATKF-UHFFFAOYSA-N 279.340 1.580 0 50 CDAA C[C@@H](NC(=O)c1ccc(-c2ccco2)cc1)c1nc(=O)[nH][nH]1 215934710 LXTAFQLIRGEKRG-SECBINFHSA-N 298.302 1.849 0 50 CDAA Cc1[nH]ncc1C(=O)N1CCCN(C2CCCC2)CC1 172423309 AWMVVGSXNIWONX-UHFFFAOYSA-N 276.384 1.809 0 50 CDAA Cc1nsc(C)c1-c1noc(C2=NN(C)C(=O)CC2)n1 330213336 FHFKDCZKMUCIQI-UHFFFAOYSA-N 291.336 1.766 0 50 CDAA Cc1ncoc1C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)O 235295940 JYMGYWYHDOYOTA-VXNVDRBHSA-N 252.270 1.308 0 50 CDAA Cc1nc(C(C)(C)NC(=O)c2cccc(C(=O)O)n2)no1 262630074 OFPAFEFEGMZORZ-UHFFFAOYSA-N 290.279 1.136 0 50 CDAA Cc1noc(CN(C)C(=O)CCn2nc(C)c(C)c2C)n1 71638803 QERVIXTUEIRTDP-UHFFFAOYSA-N 291.355 1.548 0 50 CDAA CC1(C)CCC[C@@]1(O)CNC(=O)C[C@H]1CCCC(=O)N1 332915383 WOZFHHIIUDDTSX-IAQYHMDHSA-N 282.384 1.103 0 50 CDAA Cc1ccc(OCCN2CC[C@H](CO)[C@@H](O)C2)c(Cl)c1 72125408 BWMMEHFVZJHDFW-OCCSQVGLSA-N 299.798 1.702 0 50 CDAA CN(C)C/C=C/C(=O)NCc1noc(-c2cccs2)n1 493579101 AUQFIKUIBFJRAD-ZZXKWVIFSA-N 292.364 1.532 0 50 CDAA O=C([C@@H]1C[C@H]1c1cccnc1)N1CCCc2n[nH]cc21 333414332 HVPJWWWCZGFERY-NWDGAFQWSA-N 268.320 1.888 0 50 CDAA CC[C@@H]1CN(C(=O)CC[C@H]2CCC(=O)N2)C[C@@H](CC)O1 333656710 ANPBFCZXDKDWDL-JHJVBQTASA-N 282.384 1.461 0 50 CDAA COc1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)nn1 282627807 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CCCc1cc(C(=O)NCc2ncc3c(n2)CCC3)no1 82137475 GGDRFCMVTKXBOD-UHFFFAOYSA-N 286.335 1.836 0 50 CDAA CN(C)Cc1ccnc(NC(=O)c2ccc3nncn3c2)c1 176939966 RQGNBDTZERUFON-UHFFFAOYSA-N 296.334 1.438 0 50 CDAA Nc1nc(C2CC(O)C2)cc(N2CCC(F)(F)CC2)n1 223432012 KZMMSORCNZKHHE-UHFFFAOYSA-N 284.310 1.533 0 50 CDAA CCc1nnc(CNC(=O)c2ccc(C)cc2O)o1 220182186 JVOXHOCSXJRGPZ-UHFFFAOYSA-N 261.281 1.576 0 50 CDAA Cc1[nH]c2ccc(OCc3nnn(C)n3)cc2c1C 289336463 FGGATKWRBKPIEH-UHFFFAOYSA-N 257.297 1.887 0 50 CDAA c1cn(CCCN=c2cc([C@H]3CCOC3)nc[nH]2)cn1 426635595 WCLHYYHUYUGNLH-LBPRGKRZSA-N 273.340 1.101 0 50 CDAA OCCO[C@@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 178696534 QJFRLLCRLCZEIW-CYBMUJFWSA-N 295.383 1.701 0 50 CDAA C[C@H](c1ccc(-c2nnc(C(=O)N(C)C)[nH]2)cc1)N(C)C 426440458 YWAAUPVAUPIKQD-SNVBAGLBSA-N 287.367 1.796 0 50 CDAA CCO[C@H](C)C(=O)N(C)CCCc1nccn1C 426514831 PBRTVRKFXVFADY-LLVKDONJSA-N 253.346 1.236 0 50 CDAA COCc1ccc(-c2nc([C@@H]3CCOC3)no2)o1 96162311 RJHZNFDRGWYGPM-MRVPVSSYSA-N 250.254 1.980 0 50 CDAA 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Cc1nnc(C2(C)CN(C(=O)N[C@@H]3CC=CCC3)C2)o1 952891084 VXAFKGJHRPMSRJ-LLVKDONJSA-N 276.340 1.770 0 50 CDAA O=C(Cn1ccnn1)O[C@@H]1CCCc2ccccc2C1=O 1875263354 SLTHTRHMWFXZMO-CYBMUJFWSA-N 285.303 1.409 0 50 CDAA O=C(O)[C@H]1C=CCN(C(=O)C2(Nc3ccccc3)CC2)C1 1875304755 TYADSSVYJXVBLF-LBPRGKRZSA-N 286.331 1.730 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)[C@H]1CCc2cccnc21 887534281 FQNADDXDEJOJSS-ZDUSSCGKSA-N 286.375 1.923 0 50 CDAA CCCN(C)C(=O)N[C@@H](c1ccccc1)[C@@](C)(O)C(=O)O 1775990892 BHWXZYYZYFZQJG-SWLSCSKDSA-N 294.351 1.615 0 50 CDAA N[C@@H]1CN(C(=O)c2cccc3c2CCN3)CC12CCC2 1775962617 WIWLRKXLZAXEJG-CQSZACIVSA-N 271.364 1.608 0 50 CDAA C[C@@H](N(C)Cc1nnc2n1CCCCC2)C(C)(C)O 649889234 WNCSWACRAXYLMD-LLVKDONJSA-N 266.389 1.596 0 50 CDAA C[C@H](CC(=O)N=c1ccn(C)c(O)n1)c1ccc(F)cc1 892309030 NDDWGQWCFOOTOY-SNVBAGLBSA-N 289.310 1.886 0 50 CDAA C[C@@H](C(=O)NCc1cc(=O)c(O)co1)N1CCCCCC1 1472229144 KZCSNJGEYZAEIB-NSHDSACASA-N 294.351 1.226 0 50 CDAA COC(=O)CSc1nc2nc(C)cc(C)n2n1 108034 XLFHHBIMUCGONX-UHFFFAOYSA-N 252.299 1.006 0 50 CDAA NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 446101 GJXPMGCXUXSFJW-UHFFFAOYSA-N 276.317 1.586 0 50 CDAA O=C1c2ccccc2C(=O)N1c1nnc(S)s1 550405 POHQXTLOKNHKCJ-UHFFFAOYSA-N 263.303 1.627 0 50 CDAA Cc1cc(N2CC[C@H](O)[C@](CC3CC3)(C(=O)O)C2)ncn1 2356152247 VCTDYHPNEMJZBZ-SWLSCSKDSA-N 291.351 1.227 0 50 CDAA COC1(CN(C)C)CCN(Cc2nncn2C(C)C)CC1 2356152913 HNVGCIYJFWHJSE-UHFFFAOYSA-N 295.431 1.402 0 50 CDAA COc1ncccc1-c1cnc2c(OC)nccn12 2356156112 RSVYOXHQWGINLD-UHFFFAOYSA-N 256.265 1.809 0 50 CDAA Cc1nnc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)s1 2749012 AMJSZHWUJLEZEJ-SFYZADRCSA-N 267.310 1.452 0 50 CDAA COc1ccc(C)cc1NC(=O)C(=O)N1CCCCC1 2845910 IYGQSBJFLKEMLD-UHFFFAOYSA-N 276.336 1.955 0 50 CDAA COc1ccc(OC)c([C@@H]2C=C(C(=O)O)NC(=O)N2)c1 4014564 HNWCQBBEAZICEC-VIFPVBQESA-N 278.264 1.026 0 50 CDAA CCOC(=O)[C@@H]1C(=O)CC(=O)C[C@@H]1CCC(C)(C)OC 8467349 NUTOEECARYXNPK-GWCFXTLKSA-N 284.352 1.919 0 50 CDAA Cc1nc(N2CCOCC2)nc2c1C(=O)C[C@@H](C)C2 10156850 FSUNCVNXUIOZHC-VIFPVBQESA-N 261.325 1.387 0 50 CDAA CC(=O)Nc1cccc(Cl)c1N1CCN(C(C)=O)CC1 10010416 DJEZEFLQKZCPGE-UHFFFAOYSA-N 295.770 1.967 0 50 CDAA CCCn1c(-c2ccccc2)nc2c(=O)n(C)c(=O)[nH]c21 9319048 HZRVVJDJSSQEPB-UHFFFAOYSA-N 284.319 1.500 0 50 CDAA CS[C@H](C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 57066502 CDMOLSIZRGOBNP-CYBMUJFWSA-N 299.484 1.224 0 50 CDAA Nc1nccnc1C(=O)Nc1ccccc1-n1cccn1 114678967 XYNSXFGQGVYVBN-UHFFFAOYSA-N 280.291 1.497 0 50 CDAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 54244988 RGSPPTRGPDEWCR-GFCCVEGCSA-N 296.754 1.916 0 50 CDAA CCOC(=O)c1c(NC(=O)/C=C\C(N)=O)sc(C)c1C 102961817 PHQAHULBLGKQQG-WAYWQWQTSA-N 296.348 1.522 0 50 CDAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cnc[nH]1 344612923 ZNPMGMLPVHVWNS-BFHYXJOUSA-N 265.357 1.426 0 50 CDAA CC(C)O[C@H](C)C(=O)NCC1=CSC2=NCCN12 102818168 UZAQITJSHBKARN-SECBINFHSA-N 269.370 1.176 0 50 CDAA O=C(Cn1c(=O)oc2ccccc21)NCc1ccoc1 53020096 JWGJTWPEVAKIRT-UHFFFAOYSA-N 272.260 1.504 0 50 CDAA CC1(C)CC(Nc2ccc3nncn3n2)CC(C)(C)N1 24990857 CJGMUPXZIDUXFP-UHFFFAOYSA-N 274.372 1.845 0 50 CDAA COc1ccc(-c2nccn2CCO)cc1Cn1cncn1 67754438 CTGSSPDWVMMZGD-UHFFFAOYSA-N 299.334 1.191 0 50 CDAA CCn1c(CCNS(C)(=O)=O)nc2ccccc21 65974981 NMSSEKNKFWEDQO-UHFFFAOYSA-N 267.354 1.148 0 50 CDAA CCCN1CCN(CC(=O)NCc2ccccc2)CC1 20595114 GOWJAAKVCNZFGY-UHFFFAOYSA-N 275.396 1.330 0 50 CDAA CCC[C@H](NCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)O 249322303 RMIQOFXHSVQDHQ-LPWJVIDDSA-N 284.400 1.770 0 50 CDAA C[C@H](COc1ccccc1)C(=O)N1C[C@@H](F)C[C@H]1CO 348803289 WREZLYPQACGJST-AGIUHOORSA-N 281.327 1.633 0 50 CDAA Cn1cc(CN[C@H]2CCCN(Cc3ccccn3)C2)cn1 23374413 SPPZNSYHPGCXON-INIZCTEOSA-N 285.395 1.569 0 50 CDAA COc1ccnc(N2CCCC[C@H]2c2cn[nH]c2)n1 120298589 AHEHOMQVTOBEIY-NSHDSACASA-N 259.313 1.940 0 50 CDAA CCCO[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 65796034 YRLYCOVFLCGACB-LBPRGKRZSA-N 284.381 1.661 0 50 CDAA Cc1csc2ncn(C[C@@H]3CCS(=O)(=O)C3)c(=O)c12 32587073 IKPAMJPQZLHWBE-VIFPVBQESA-N 298.389 1.201 0 50 CDAA COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1 36833632 FQWFNSIPERCXIG-UHFFFAOYSA-N 277.729 1.181 0 50 CDAA CO[C@@H](C(=O)NCCn1cccn1)c1ccccc1 183354647 NKQWPVSLDCKFNW-CYBMUJFWSA-N 259.309 1.387 0 50 CDAA CCc1noc(C)c1CNC(=O)[C@H]1CCc2nncn2C1 354879833 RPUQBZXEBRDSFY-JTQLQIEISA-N 289.339 1.016 0 50 CDAA O=C(NCc1cnc2cnccn12)c1ccc2c(c1)OCO2 215668749 KBGXCXLIOLPEIV-UHFFFAOYSA-N 296.286 1.388 0 50 CDAA CCN1CCN(C(=O)[C@@H](C)Oc2cccc(OC)c2)CC1 33359549 VQDOIWABIVIBCB-CYBMUJFWSA-N 292.379 1.627 0 50 CDAA CN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C[C@H]1c1nccn1C 328620213 GUVYOVUZXFQJCR-MCIONIFRSA-N 288.395 1.281 0 50 CDAA CN(C)C(=O)C1(C(=O)Nc2ccc3c(c2)CCO3)CC1 253419924 NSDTWIPOOHRAPW-UHFFFAOYSA-N 274.320 1.428 0 50 CDAA Cc1nc[nH]c1CN1CCC[C@@H](C(=O)c2nccn2C)C1 77485544 CWYZIVIAKIQDNA-GFCCVEGCSA-N 287.367 1.547 0 50 CDAA Cc1cscc1NC(=O)NCCN1CCOCC1 124042458 UBJGUAJYHJREDM-UHFFFAOYSA-N 269.370 1.510 0 50 CDAA O=C1[C@H]2[C@H]([C@@H]3C=C[C@H]2C3)S(=O)(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]12 216337842 GQQKMTDKKNGWRQ-FGLKITABSA-N 276.357 1.365 0 50 CDAA CO[C@H]1CN(c2cc(C(C)C)nc(C)n2)CC[C@H]1N 71763554 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215555492 SIWDTTQLJJXJRN-HNNXBMFYSA-N 275.304 1.311 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)CCc2nccs2)C1 261818669 NGPPQTYEWONZND-VIFPVBQESA-N 268.338 1.399 0 50 CDAA C/C=C/c1ccc(OCC(=O)N2CCNCC2)c(OC)c1 237095257 BJXATCJDYWYXFR-ONEGZZNKSA-N 290.363 1.539 0 50 CDAA O=C1CN(C(=O)c2cc(C3CC3)no2)CN1CC1CC1 333410858 DDQRJGQUSBXDJG-UHFFFAOYSA-N 275.308 1.204 0 50 CDAA Cc1nnsc1COC(=O)[C@@H]1CCO[C@H](C)C1 240407392 FLWQPNIYKNFVKA-VXNVDRBHSA-N 256.327 1.705 0 50 CDAA COc1ccc(N(C)C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)nc1 333871739 PKZLKQCHLFQQCB-WCQGTBRESA-N 274.320 1.668 0 50 CDAA CC[C@H]1CN(CC)CCN1C(=O)Nc1ccnnc1 333813120 HGHJNYDFNJKIRW-LBPRGKRZSA-N 263.345 1.425 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H]2CC(=O)O)on1 262836409 BSWLEJFZDRUUOR-SECBINFHSA-N 266.297 1.877 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)/C=C/C1CCOCC1 492315293 ARKRUUCESXAPFI-PGLGOXFNSA-N 253.298 1.045 0 50 CDAA C[C@H]1CN(CC(=O)O)C[C@@H](c2ccc(F)cc2)O1 237662774 YAPUTKYUJBCMSS-CABZTGNLSA-N 253.273 1.672 0 50 CDAA CCCc1cc(C(=O)N2CCN(C(=O)OCC)CC2)no1 72158863 PMXIXLHJAGPRGR-UHFFFAOYSA-N 295.339 1.541 0 50 CDAA C[C@H]1CCCCN1C1CN(Cc2c[nH]nc2C(=O)O)C1 219663401 VZVWYKULYAAIKL-JTQLQIEISA-N 278.356 1.167 0 50 CDAA Cc1ncc(CNS(=O)(=O)C[C@@H](C)C2CC2)s1 1363927448 GGIKSTDMJKDEKO-MRVPVSSYSA-N 274.411 1.917 0 50 CDAA O=C1CC[C@H](C(=O)N2CC[C@@H]3CCCC[C@@H]32)CN1 226016346 ZAFBIBKUHHUFNS-SRVKXCTJSA-N 250.342 1.304 0 50 CDAA CC(C)n1cc(C(=O)N[C@@H](C)CCc2cccn2C)nn1 340746193 UARWQSHIBYNEAI-LBPRGKRZSA-N 289.383 1.949 0 50 CDAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@@H]2CCNC2)C1 263284571 TZLRTSGBDOAQIH-BZUAXINKSA-N 293.455 1.709 0 50 CDAA CN(C)c1ncncc1NC(=O)c1ccc2nccn2c1 178323355 IUNUBYPJBOJUEJ-UHFFFAOYSA-N 282.307 1.443 0 50 CDAA C[C@@H]1OCCN(C(=O)NCc2ccc(C(=O)O)cc2)[C@@H]1C 263338524 OFBIZHMUZHXRQP-MNOVXSKESA-N 292.335 1.704 0 50 CDAA COc1ccnc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)c1 223893031 SRNNUUWJGSNDJJ-JYAVWHMHSA-N 289.379 1.502 0 50 CDAA COC(=O)c1cn(Cc2ncc(C)c(OC)c2C)nn1 227654196 DQUICOZHPSHTLE-UHFFFAOYSA-N 276.296 1.133 0 50 CDAA CCn1nc(-c2cccc3ccnn23)nc1N(C)C 426624781 PBRNHOVKDDKPOR-UHFFFAOYSA-N 256.313 1.679 0 50 CDAA CCS(=O)(=O)NC1CCN(Cc2ccc(C)o2)CC1 289436261 LKIDJRGRLCCKEA-UHFFFAOYSA-N 286.397 1.492 0 50 CDAA Cc1cc(CN(C)C(=O)C[C@@H]2CCCC(=O)N2)no1 289839174 DQLCRAMMVIZQPJ-JTQLQIEISA-N 265.313 1.000 0 50 CDAA Cc1nc2n(n1)C[C@H](NC(=O)c1c(C)nsc1C)CC2 292273801 OBXNPXPWPZBBET-SNVBAGLBSA-N 291.380 1.405 0 50 CDAA c1cc2[nH]c([C@H]3CCOC3)nc2cc1-n1cnnn1 97346742 FJKVHTJKWWFTTO-QMMMGPOBSA-N 256.269 1.043 0 50 CDAA COc1ccccc1/C(C)=C/C(=O)N(C)[C@@H]1CCNC1 179103242 MCPLYNCXVBIVTG-RSKUSDAESA-N 274.364 1.919 0 50 CDAA Cc1nc(-c2cnc(C)[nH]c2=O)n(-c2ccc(F)cc2)n1 96148619 ATYASQGGRNTCOJ-UHFFFAOYSA-N 285.282 1.774 0 50 CDAA Cc1nonc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91620993 LCDSMRVZHIOSTC-ABAIWWIYSA-N 295.383 1.378 0 50 CDAA Cc1ccccc1[C@H](C(=O)NCC(=O)NC(C)C)N(C)C 95517582 XIOKABVQMFILIR-OAHLLOKOSA-N 291.395 1.239 0 50 CDAA COc1ccc(-c2nc(N(C)C)n(C)n2)cc1F 96153708 HVRVYZDLIPMKOT-UHFFFAOYSA-N 250.277 1.696 0 50 CDAA Cc1cc2cc(C(=O)NC[C@@H]3CNCCO3)ccc2o1 97475045 MSFKLVWMSLKALD-ZDUSSCGKSA-N 274.320 1.459 0 50 CDAA O=C1NCCCc2[nH]c(-c3cc(-c4ccccn4)no3)nc21 95386265 FWEDTWUJPKFHOJ-UHFFFAOYSA-N 295.302 1.803 0 50 CDAA Cc1[nH]nc(CCc2nc([C@@H]3CCOC3)no2)c1C 96165692 HSKLKXZDNMMSAN-SNVBAGLBSA-N 262.313 1.699 0 50 CDAA CO[C@@H]1CCN(CC(=O)Nc2ccccc2NC(C)=O)C1 244811668 SIYHVVWLFMEVSV-GFCCVEGCSA-N 291.351 1.304 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1NC(=O)CCC(F)(F)F 613659933 GCIIAWPQJHKQBJ-RKDXNWHRSA-N 252.280 1.928 0 50 CDAA Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](C(=O)O)C1 534593384 YESOCEYVGPCAPV-ZDUSSCGKSA-N 281.356 1.366 0 50 CDAA CN(C)Cc1ccccc1CNC(=O)NCCF 534646680 XFCXAQABRXSUEN-UHFFFAOYSA-N 253.321 1.517 0 50 CDAA CCCc1cnc(C)nc1NC[C@H]1CN(C(C)=O)CCO1 534672970 CNOHULMYXRYXSU-AWEZNQCLSA-N 292.383 1.397 0 50 CDAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc3ccccc23)CN1 299760313 FLIANXOPYVIZFN-WFASDCNBSA-N 298.342 1.473 0 50 CDAA CN(CCc1cn[nH]c1)c1cc([C@@H]2CCOC2)ncn1 299775349 DRVGZQYOVYUMPG-GFCCVEGCSA-N 273.340 1.383 0 50 CDAA Cc1ccc(CC2(NC(=O)CCn3nnnc3C)CC2)cc1 299779512 VXROYNKXJNDQBM-UHFFFAOYSA-N 299.378 1.572 0 50 CDAA COc1cc(Br)cn2ncc(C(=O)O)c12 644152019 BGKFALGNEKIVLS-UHFFFAOYSA-N 271.070 1.804 0 50 CDAA CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](O)CC2 823836857 MRRJVFDEOMEQLQ-LBPRGKRZSA-N 285.347 1.141 0 50 CDAA Cc1cccc([C@H](NS(=O)(=O)c2cn[nH]c2)C2CC2)n1 825230588 CNEIQDZVCADXMX-CYBMUJFWSA-N 292.364 1.543 0 50 CDAA CC[C@@H](OC)C(=O)NCCC(=O)Nc1cccc(C)c1 822555071 HRBLUULNGAIUAX-CYBMUJFWSA-N 278.352 1.865 0 50 CDAA Cc1cc(CNS(=O)(=O)CCn2cccn2)ccc1F 585139107 UEBQGADYZXETIY-UHFFFAOYSA-N 297.355 1.450 0 50 CDAA Cc1cc(CN(C)Cc2c(CO)cnc(C)c2O)no1 584895236 ALIZTNQOZWVWBJ-UHFFFAOYSA-N 277.324 1.516 0 50 CDAA CC(C)Cc1cc(C(=O)NCc2cnc3cnccn23)no1 670444914 KKLYPAGGVUKFGO-UHFFFAOYSA-N 299.334 1.846 0 50 CDAA CCCc1ncncc1C(=O)N1CC[C@H](CC(=O)NC)C1 670439844 BKIVMYOGQRDOAW-LLVKDONJSA-N 290.367 1.027 0 50 CDAA COc1cc(C(=O)N[C@@H]2CC[C@@H](N)C2)ccc1F 244874209 WWNRKCHVYYGPEJ-NXEZZACHSA-N 252.289 1.444 0 50 CDAA OC[C@H]1CCCN(CCNCc2cccc(O)c2Cl)C1 952976177 USTFRNIOSIXXJU-LBPRGKRZSA-N 298.814 1.840 0 50 CDAA CC(C)CN1CC[C@H](CNCc2ccc(CO)o2)C1 952980187 WKYXUNCNRAYTNK-CYBMUJFWSA-N 266.385 1.839 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)Cc1noc2ccccc12 1565507506 XBQIEPOLHUWXSI-FZMZJTMJSA-N 290.319 1.290 0 50 CDAA C[C@H]1C[C@H](C(=O)Nc2nnc(C(F)F)s2)CC(=O)N1 408162417 WLKDUOKCZJVLJL-WHFBIAKZSA-N 290.295 1.329 0 50 CDAA CC(C)CN(C(=O)C1CCS(=O)(=O)CC1)C(C)C 408147533 GZCMEBCQXINJKL-UHFFFAOYSA-N 275.414 1.704 0 50 CDAA C[C@H](c1ccccn1)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 221673557 AWDYBHQWZGTUJP-DGCLKSJQSA-N 295.408 1.299 0 50 CDAA Cc1n[nH]cc1CNC(=O)NC[C@H]1CCO[C@@H]1C(C)C 273216222 OHZOUEKCENBEDY-DGCLKSJQSA-N 280.372 1.578 0 50 CDAA CCOC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1 90470645 JZPKVZMVVCCMSR-VHSXEESVSA-N 273.329 1.167 0 50 CDAA in-vitro Cc1ccsc1[C@H]1C[C@H]1C(=O)N1CC(C)(O)C1 170614781 RQLNHLVZKKUBRT-VHSXEESVSA-N 251.351 1.753 0 50 CDAA COC[C@@H](NC(=O)c1cc[nH]c1C)[C@H]1CCCO1 279308240 BNBWGDGRSMBADR-VXGBXAGGSA-N 252.314 1.247 0 50 CDAA Cc1oc2ccccc2c1C(=O)N1CCO[C@H](C(N)=O)C1 185350462 SOUMDVBWZWMTHL-LBPRGKRZSA-N 288.303 1.068 0 50 CDAA Cc1ccc(C(=O)NCCN2CC=CCC2)c(O)n1 279906020 FBSWTILDBKFHFB-UHFFFAOYSA-N 261.325 1.087 0 50 CDAA C[S@](=O)c1ccc(C(=O)NCC2(C(=O)O)CC2)cc1 598659583 XZSJUQWNZWMVPJ-IBGZPJMESA-N 281.333 1.019 0 50 CDAA CCc1cc(N2CCC[C@@]3(CCS(=O)(=O)C3)C2)ncn1 631299748 BWUGKTMQBRJQEW-CQSZACIVSA-N 295.408 1.444 0 50 CDAA c1ccc2c(CN[C@H]3CCc4c[nH]nc4C3)n[nH]c2c1 675156059 WNXAFYMISMNQSO-NSHDSACASA-N 267.336 1.933 0 50 CDAA C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1O2)C(=O)Cc1ccccc1 676705992 GBEAOLMHWSEVDJ-OEYIWLLWSA-N 287.359 1.870 0 50 CDAA CCC1(CO)CCN(C(=O)Cc2cncs2)CC1 188668137 KVRDUTOMCIVYKA-UHFFFAOYSA-N 268.382 1.697 0 50 CDAA Cn1cncc1CCC(=O)N1CCOc2cc(F)ccc21 189056537 IEMPKEBLYNAOOW-UHFFFAOYSA-N 289.310 1.917 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1nnc[nH]1 189060668 GVWKCBKQOKDZJK-MFKMUULPSA-N 280.372 1.305 0 50 CDAA COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccncc1 189905615 GPEILOQFFVGENC-UPJWGTAASA-N 274.320 1.495 0 50 CDAA CCc1cc(N2CCC[C@](O)(CC(=O)N(C)C)C2)ccn1 643718007 NUQFILATEMRNNF-INIZCTEOSA-N 291.395 1.454 0 50 CDAA O=C1CC[C@@H](NC(=O)c2cc3cccnc3[nH]2)[C@H](C2CC2)N1 560741001 NSAPHOXFLRSQEM-RISCZKNCSA-N 298.346 1.350 0 50 CDAA COc1ncncc1CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 647187715 USEJGLFYQBMQTF-JHJVBQTASA-N 277.368 1.778 0 50 CDAA CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(C)=O 195579163 NHANSSSZCNPWIT-FRRDWIJNSA-N 284.425 1.788 0 50 CDAA c1nc(NCCCN2CCOCC2)c2[nH]ccc2n1 1772813827 WCYPDWGLWPXFGZ-UHFFFAOYSA-N 261.329 1.092 0 50 CDAA OC[C@H](O)C1CCN(c2nc3ccccc3o2)CC1 1772814154 LWCFXAWFIWAPDF-LBPRGKRZSA-N 262.309 1.397 0 50 CDAA O=C1CCN(Cc2cc(Cl)c3c(c2)OCO3)N1 1616035083 QMTVQAPQDBRGPA-UHFFFAOYSA-N 254.673 1.306 0 50 CDAA O=C(C[C@H]1CCCO1)N[C@@H]1CO[C@H]1c1ccccc1 1653243163 WUNKUQHQTCQIAB-NFAWXSAZSA-N 261.321 1.812 0 50 CDAA C[C@H](O)CN(Cc1ccc(F)c(F)c1)C[C@H](C)O 757414 VTCDSSQEVGFXPI-UWVGGRQHSA-N 259.296 1.528 0 50 CDAA Cc1nn(C)c(C)c1CN(C(=O)c1cncn1C)C1CC1 1506400503 AOVUDABCIVWKQJ-UHFFFAOYSA-N 287.367 1.575 0 50 CDAA C[C@@H](CN(C)CCO)NC1CC(C)(C)NC(C)(C)C1 1506428258 YOUWQRQYCJJPOD-LBPRGKRZSA-N 271.449 1.198 0 50 CDAA Cc1cnc(N2CCC[C@H](O)CC2)nc1N(C)C 1506405805 LPPOZAWPFPEFFK-NSHDSACASA-N 250.346 1.202 0 50 CDAA CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O 128390 LDCUXIARELPUCD-JTQLQIEISA-N 286.125 1.581 0 50 CDAA in-vitro CC(C)Cc1nc(C[C@H]2C[C@H](C)NC(=S)N2)n[nH]1 210118729 JMORAAYWIIVULO-DTWKUNHWSA-N 267.402 1.171 0 50 CDAA NC(=O)CSc1nnc2ccc3ccccc3n12 387182 BBIZGWAMFPJROF-UHFFFAOYSA-N 258.306 1.460 0 50 CDAA CC(C)(C)OC(=O)NC1(C(=O)O)CCSCC1 1081433 FTTKMOOFKYOPQD-UHFFFAOYSA-N 261.343 1.862 0 50 CDAA in-vitro COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccoc1Cl 332668749 HPDQBXFQINKXGW-DTWKUNHWSA-N 273.716 1.809 0 50 CDAA C[C@@H]1CC(C)(C)CN1C(=O)NCCN1CCSCC1 334576792 IEEYPRSQNJCVPX-GFCCVEGCSA-N 285.457 1.865 0 50 CDAA Cc1ncc(CN(CC(=O)O)Cc2ccsc2)[nH]1 1704309774 SKCPZEBELCYLOT-UHFFFAOYSA-N 265.338 1.866 0 50 CDAA CCc1ccc(CC(=O)N(CCO)Cc2ncc[nH]2)cc1 1704307759 DMDDAHIRGXCAOX-UHFFFAOYSA-N 287.363 1.536 0 50 CDAA C[C@@H]1COCCN1C[C@@H](O)COc1ccc(F)cc1 229223272 HAEJDGLLQWWROH-DGCLKSJQSA-N 269.316 1.286 0 50 CDAA Cc1cc(=O)n2c(n1)NC(=S)N[C@@H]2c1ccccc1 1738811144 VXOAIJQULMGGHM-NSHDSACASA-N 272.333 1.399 0 50 CDAA O=C(c1cnc(O)c(Cl)c1)N1CCC[C@@H](C2(O)CC2)C1 1772769811 STIQMBOOSJXOTG-SNVBAGLBSA-N 296.754 1.818 0 50 CDAA CN(CCN1CCCCCC1)C[C@@H]1CCC(=O)N(C)C1 1775981137 AHUXUCXCKYMYEZ-HNNXBMFYSA-N 281.444 1.663 0 50 CDAA C[C@@]12C[C@@H]1CN(C(=O)CN1CCOc3ccccc3C1)C2 1775979373 LQKUSTVFXKBYEN-PBHICJAKSA-N 286.375 1.749 0 50 CDAA CCc1cnc(N)nc1NC[C@@H](CO)Cc1ccco1 1772708291 BNCMFOIILGRFMX-JTQLQIEISA-N 276.340 1.477 0 50 CDAA CCCc1cc(CN(C)c2ncc(F)c(OC)n2)n[nH]1 1772702073 PLTCQBSMYUKEBZ-UHFFFAOYSA-N 279.319 1.936 0 50 CDAA COc1ccccc1CN(C)C[C@@H]1CCC(=O)N(C)C1 1772810275 JYXQDCGIAHEGCY-ZDUSSCGKSA-N 276.380 1.995 0 50 CDAA CN1CCC2(CC1)CN(c1nnc(C3CCC3)o1)CCO2 1772817389 CWOHINYOKFFOLL-UHFFFAOYSA-N 292.383 1.638 0 50 CDAA CC[C@]12C[C@@H]1CN(C(=O)c1nn(C)c(=O)c3ccccc13)C2 1772814892 SVCDRQSWKAJLFB-PIGZYNQJSA-N 297.358 1.806 0 50 CDAA C[C@H]1CO[C@H](C)CN1CC(=O)N1[C@@H](C)CCC[C@H]1C 247946355 IGEPMHBDBSMXOY-RFQIPJPRSA-N 268.401 1.885 0 50 CDAA CC(=O)Nc1ccc(CN2CCC[C@H](CO)C2)cc1 12379617 WISZMOROTTWOPT-AWEZNQCLSA-N 262.353 1.849 0 50 CDAA Cc1ccc(O[C@@H](C)C(=O)NC2CCN(C)CC2)cc1 16580042 JTXCTXMYYBFHQX-ZDUSSCGKSA-N 276.380 1.973 0 50 CDAA COc1ccccc1/C=C/CN1CCN(CCO)CC1 19634672 WCQSWRRSLAZTJM-GQCTYLIASA-N 276.380 1.318 0 50 CDAA CN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)CC1 19810932 ZMBSZRAWHINMPB-JKSUJKDBSA-N 278.396 1.546 0 50 CDAA biogenic O=C(O)C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O 166983691 QLPCDVODFJPCDD-NSHDSACASA-N 284.271 1.739 0 50 CDAA Cc1ncc(-c2nccn2C[C@@H]2CC(=O)N(C)C2)n1C 1857675184 NDOCYNFKDLLHGB-LLVKDONJSA-N 273.340 1.070 0 50 CDAA COCC(=O)N1CCN(c2ccccc2OC(C)C)CC1 408516712 QXJNNZYVIBEPLQ-UHFFFAOYSA-N 292.379 1.769 0 50 CDAA CC(C)(C)OC(=O)N1Cc2cncn2C[C@@H](CO)C1 306128282 GVYNBDUBWFTAFQ-JTQLQIEISA-N 267.329 1.242 0 50 CDAA in-vitro CSC1(CNC(=O)c2cnn(-c3cccnc3)c2)CC1 619133788 VXWZCMICNHTYLE-UHFFFAOYSA-N 288.376 1.893 0 50 CDAA CCNC(=O)C1(NC(=O)c2c[nH]c(CC)n2)CCCC1 252508775 XTDZBPKYPJMZAB-UHFFFAOYSA-N 278.356 1.151 0 50 CDAA CCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 19520368 YXOPOCKDPBGDMH-UHFFFAOYSA-N 268.382 1.154 0 50 CDAA Cc1cnc2c(C(=O)N3CCC[C@@]3(C)C(=O)O)cnn2c1 902107048 MLQWOPKPLNBCRI-AWEZNQCLSA-N 288.307 1.117 0 50 CDAA Oc1nc2cccc(-c3nc(-c4cnccn4)no3)c2[nH]1 904648814 CKXKYXRVVWJHSG-UHFFFAOYSA-N 280.247 1.776 0 50 CDAA COc1cccc(S(=O)(=O)NCc2cnoc2)c1OC 907310733 UFABCHXPTSULAN-UHFFFAOYSA-N 298.320 1.170 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1ccnc2ccncc12 923193964 HQEXOKMACBPBOR-DEKYYXRVSA-N 297.314 1.469 0 50 CDAA O=C(NS(=O)(=O)c1ccsc1)c1cnn2c1CCC2 835227297 AQMLEYSKDQRZPX-UHFFFAOYSA-N 297.361 1.010 0 50 CDAA O=C(O)C1(n2nnc([C@@H]3CCCCS3)n2)CCCC1 1875280648 GOZLBYBFRKQISQ-VIFPVBQESA-N 282.369 1.985 0 50 CDAA COC(=O)c1cc(C2CCN(CC3CC3)CC2)[nH]n1 1875299823 XLVDFQZFDDTBAN-UHFFFAOYSA-N 263.341 1.786 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc2nc(C)n(C)c2c1 1875273440 YDXQDMBPVSKNHE-SNAWJCMRSA-N 287.319 1.341 0 50 CDAA CCCn1ncc(CN2CC[C@@H](CNC)C2)c1C 1875299003 VPXVZPYVBIOFHK-ZDUSSCGKSA-N 250.390 1.643 0 50 CDAA Cc1ccc2ncccc2c1C(=O)N[C@@H]1CCC(=O)NC1=O 1875293057 AWBZPOUYTUPACE-GFCCVEGCSA-N 297.314 1.078 0 50 CDAA Cc1nc2ccc(S(=O)(=O)N3C[C@H]4CC[C@H]4C3)cc2[nH]1 1875321370 GJBIPVVEVNYSDO-PHIMTYICSA-N 291.376 1.902 0 50 CDAA COC[C@@](C)(CC(=O)O)NC(=O)c1ccc(C)c(C)c1 237198002 DPZQLHNMEIJPLP-OAHLLOKOSA-N 279.336 1.913 0 50 CDAA CC(=O)N1CC[C@H](Oc2ccnc(CN(C)C)c2)C1 886095438 WLNBSYVRWUCZFC-AWEZNQCLSA-N 263.341 1.143 0 50 CDAA CCc1ocnc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 886097314 ROEUITORMJWNIK-JTQLQIEISA-N 287.323 1.587 0 50 CDAA Cn1ncc(CN2CCS(=O)(=O)C(C)(C)C2)c1C1CC1 892128040 CVBUNYJFISVJPZ-UHFFFAOYSA-N 297.424 1.307 0 50 CDAA COc1cccc(OC)c1C(=O)NCCc1ncc[nH]1 135554486 WAPPUGUYGOGVCP-UHFFFAOYSA-N 275.308 1.399 0 50 CDAA COc1ccc(CC(=O)N2C[C@H](C)N[C@H](C)C2)cc1F 153190722 AOKANGMFJBJZMR-PHIMTYICSA-N 280.343 1.586 0 50 CDAA COc1cc(C)nc(CN2C[C@H](CO)OC(C)(C)C2)c1 163832414 BFWHIMPCSLNHNZ-CQSZACIVSA-N 280.368 1.370 0 50 CDAA CO[C@H](CNC(=O)[C@H]1CCN[C@@H]1C)c1ccccc1 517365663 IYOISFIYDOXGQZ-KWCYVHTRSA-N 262.353 1.488 0 50 CDAA OC[C@H](O)CCNc1cc(C(F)(F)F)ccn1 584895927 QHYTTYVAEBDIBP-MRVPVSSYSA-N 250.220 1.256 0 50 CDAA Cc1[nH]nc2c1N(C(=O)c1cn(C(C)C)nn1)CCC2 2325766866 XDNNIERPIUJGTA-UHFFFAOYSA-N 274.328 1.484 0 50 CDAA Cc1cc(O)c(NC(=O)c2coc(C3CC3)n2)c(=O)o1 2325821371 JNVQQSQRXPVKBI-UHFFFAOYSA-N 276.248 1.772 0 50 CDAA O=C(c1ccnc(C2CC2)n1)N1CCC[C@H](c2ncon2)C1 1471968766 YJVWQFJDFZMHNH-NSHDSACASA-N 299.334 1.757 0 50 CDAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1n[nH]c2ccccc12 220381515 QHSYHELADIYRKG-ZHAHWJHGSA-N 257.293 1.470 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1cccs1 40379 SUFSVEMYEKMZAQ-VIFPVBQESA-N 268.363 1.714 0 50 CDAA CC(C)(C)C(=O)CON1C(=O)c2ccccc2C1=O 51520 KVJZKVCHNVZXEF-UHFFFAOYSA-N 261.277 1.829 0 50 CDAA CC(C)(C)NC(=O)CN1C(=O)c2ccccc2C1=O 135075 BGPPBQVMSZONFU-UHFFFAOYSA-N 260.293 1.197 0 50 CDAA O=S(=O)(NC1CCCCC1)c1cccc2nonc12 212845 SFXDOYGYPUYVPN-UHFFFAOYSA-N 281.337 1.834 0 50 CDAA Cc1cc(C(F)(F)F)nn1CC(=O)NC[C@H]1CCCO1 325705 MWZJSHFKQVQABK-SECBINFHSA-N 291.273 1.506 0 50 CDAA COC[C@H](C)NC(=O)c1ccc(OC)cc1OC 455707 OPISJGBYYADOQH-VIFPVBQESA-N 253.298 1.469 0 50 CDAA COc1cccc(C(=O)NC2=NCCS2)c1OC 1054864 YBRKJYPAHPVSCU-UHFFFAOYSA-N 266.322 1.536 0 50 CDAA O=C1NCCC[C@@]12CCCN2CCn1cc(Cl)cn1 2356138514 NVDGGSQLUWTLML-CYBMUJFWSA-N 282.775 1.281 0 50 CDAA Cc1cc(=O)cc(C(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)o1 2356141113 VTLSUIAIHYQYOC-PJXYFTJBSA-N 277.320 1.466 0 50 CDAA COc1ccc(C(=O)N2CCC[C@@]23CCCNC3=O)cc1 2356166373 VGOGTVJXWIIATK-MRXNPFEDSA-N 288.347 1.580 0 50 CDAA O=C(c1ccc(F)c(F)c1)N1CCC[C@]12CCCNC2=O 2356168030 MVACCISAQJSIHM-HNNXBMFYSA-N 294.301 1.850 0 50 CDAA CCO[P@](C)(=O)[C@H](CC(=O)OC)C(=O)OC 3002597 XAQIMZALXDQEAW-QZTNRIJFSA-N 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CDAA CN1CC[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2C1=O 1772819413 LARDKEQLBLAMOE-MNOVXSKESA-N 294.301 1.515 0 50 CDAA Cc1noc(CN(C)c2nc(C)ncc2Cl)n1 1772705255 LYKXAWPEZJUHGV-UHFFFAOYSA-N 253.693 1.766 0 50 CDAA CN(C)Cc1nnc(NC[C@@H]2COc3ccccc3O2)o1 1772705867 SNHVNIIQFNHIEI-SNVBAGLBSA-N 290.323 1.383 0 50 CDAA CN1CCN(NC(=S)Nc2cccc(Cl)c2)CC1 5052104 SLRMQZMLDLLWBT-UHFFFAOYSA-N 284.816 1.789 0 50 CDAA O=C1C[C@@H](NC2CCOCC2)CN1Cc1cccc(F)c1 12073428 YOJMAYJKHIWDRP-OAHLLOKOSA-N 292.354 1.695 0 50 CDAA Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCC(=O)N1 169352262 MZSKJPCWJQIVEV-ZDUSSCGKSA-N 285.347 1.345 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccnc3)n[nH]c21 1857528330 XXNLDLZPCKRAEP-ZJUUUORDSA-N 286.335 1.757 0 50 CDAA Cc1cccc2nc(CCN(C)c3n[nH]c(=N)s3)[nH]c12 1857680105 GTBOLKVCAUDCFY-UHFFFAOYSA-N 288.380 1.814 0 50 CDAA C[C@H]1OCC[C@@]1(O)CNC1CCN(C2CCCCC2)CC1 328587692 FIRAJBRWUZXJHK-RHSMWYFYSA-N 296.455 1.913 0 50 CDAA C[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)CC2(CCC2)O1 335360210 RTHOKPBNZUNJFU-GFCCVEGCSA-N 291.395 1.868 0 50 CDAA Cc1ccc(C(=O)NCc2nnc(C3CCC3)n2C)o1 129190151 NTHLVWAGKKFCRX-UHFFFAOYSA-N 274.324 1.914 0 50 CDAA O=S(=O)(Cc1nc(C2CC2)n[nH]1)c1cc(F)ccc1F 125026931 MOANOTOKGCVFNF-UHFFFAOYSA-N 299.302 1.934 0 50 CDAA CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc(C)no2)C1 331373682 CINHNWFMXBMBOP-ZJUUUORDSA-N 291.311 1.012 0 50 CDAA CCOCCC(=O)N1CCN(c2ccc(OC)cn2)CC1 331357055 SSLBPIKQYAKNPO-UHFFFAOYSA-N 293.367 1.165 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)Nc2ccc3oc(=O)[nH]c3c2)C1 236447462 MTUAUIKTLKTSPI-SFYZADRCSA-N 290.275 1.561 0 50 CDAA CCCn1cc(C(=O)N2CCCC[C@@H]2[C@H]2CCNC2)cn1 333884060 WUVOMSSRRXJGII-DZGCQCFKSA-N 290.411 1.897 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1cccc(O)c1 239308952 HBNYZMLHGBYMEJ-CTTWBBHYSA-N 281.311 1.950 0 50 CDAA CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)CCc1ccoc1 240244153 DKIFQKDPXZBJLL-CHWSQXEVSA-N 283.368 1.486 0 50 CDAA CN1CC[C@@H]2CN(C(=O)c3c4c(nn3C)CCCC4)C[C@@H]21 248107174 GBXQTWYDVCFTSH-RISCZKNCSA-N 288.395 1.075 0 50 CDAA COCCCN(CC(N)=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 252488570 IUVMUFOWDHZDPN-CAEXGNQWSA-N 280.412 1.635 0 50 CDAA NC(=O)Nc1cccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c1 376193881 GFMDVFVOJOPHQC-LBPRGKRZSA-N 299.334 1.188 0 50 CDAA Cn1cc(C(C)(C)NC(=O)c2ccc(Cl)o2)nn1 585125334 ODYVKBRZYHSZOU-UHFFFAOYSA-N 268.704 1.727 0 50 CDAA Cc1nc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c[nH]1 264760174 UELHSARYYNHPMM-UHFFFAOYSA-N 292.383 1.485 0 50 CDAA Cc1ncc(S(=O)(=O)N2C[C@@H](C)Oc3ccccc32)[nH]1 264796270 UBMRPQYGVSRFCI-SECBINFHSA-N 293.348 1.694 0 50 CDAA Cc1nc2c([nH]1)CC[C@@H](C(=O)N(C)C[C@H]1CCCOC1)C2 163336153 WPMDFGLFVKBYIV-CHWSQXEVSA-N 291.395 1.708 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1CNCCc1cccnc1 825096270 DKEIFPBWIRBVSI-LSDHHAIUSA-N 286.379 1.725 0 50 CDAA CCn1cc(Cl)c(NC(=O)Cc2cncnc2)n1 924799432 SGEJDNKURDYBRX-UHFFFAOYSA-N 265.704 1.528 0 50 CDAA COc1c(Cl)cccc1CNC(=O)Nc1cnnn1C 931276934 LOGRRHHBRIZYPH-UHFFFAOYSA-N 295.730 1.799 0 50 CDAA Cc1cc(-n2cccn2)nc(N[C@H]2CC[C@H](CN)CC2)n1 1875282164 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O=C(NCC1(CO)CCOCC1)c1c(F)cccc1F 151492533 AVPWJTWTGGUQGQ-UHFFFAOYSA-N 285.290 1.484 0 50 CDAA O=C(O)CN(CC(=O)O)C[C@H]1CCOc2ccccc21 162040158 IRRBULXYHSNNOS-SNVBAGLBSA-N 279.292 1.024 0 50 CDAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCCn1ccnc1 182186742 OBCNOPLDROSTLS-CHWSQXEVSA-N 285.413 1.219 0 50 CDAA CN1CCCN(Cc2ccc3ccccc3n2)CC1=O 191130216 KLDBGXVRDMSAAF-UHFFFAOYSA-N 269.348 1.899 0 50 CDAA O=C(NC[C@H]1CNCCCO1)c1ccc(Cl)s1 333186059 OARFTBQIJLPZSD-MRVPVSSYSA-N 274.773 1.510 0 50 CDAA N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](C2CCCCC2)C1 638414896 UKXAGCRIJBACLZ-MJBXVCDLSA-N 266.385 1.531 0 50 CDAA CCCc1nnc(NCCCN2CCOCC2)o1 95387536 CUSLLXCOWTYVEY-UHFFFAOYSA-N 254.334 1.156 0 50 CDAA CSc1ccc(-c2nnn(CC(=O)O)n2)cc1 111837 UPXFBSRHBKKZPR-UHFFFAOYSA-N 250.283 1.147 0 50 CDAA Cc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1 192005 KAQWNTZFUOSELA-UHFFFAOYSA-N 269.351 1.956 0 50 CDAA CCCCSCCSc1nnc2n(N)cnn12 2290430 KLUCPTBRSNSTBR-UHFFFAOYSA-N 272.403 1.265 0 50 CDAA CCOC(=O)[C@H](NCC1COCOC1)C1CCCCC1 2325771936 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CN(CCN1C(=O)C[C@H]2NCC[C@H]21)c1ccccc1 1800414549 SWBDXMKUBPRUAM-ZIAGYGMSSA-N 259.353 1.086 0 50 CDAA CN(CC1CCOCC1)C(=O)NC1CCOCC1 408060073 RWMSGXFUJPBBSR-UHFFFAOYSA-N 256.346 1.233 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@H](C)[C@@](O)(C3CC3)C2)n[nH]1 222183829 LVVUUPYBOCRXJJ-ZUZCIYMTSA-N 277.368 1.766 0 50 CDAA COC(C)(C)c1cn(Cc2cncc(F)c2)nn1 641073409 RLPFNRJXCUTXRD-UHFFFAOYSA-N 250.277 1.742 0 50 CDAA CC(C)=CCN1CCC(S(=O)(=O)N2CCCC2)CC1 336499900 BSROYXIWDQDNBP-UHFFFAOYSA-N 286.441 1.843 0 50 CDAA O=C(NCc1cccn2nccc12)C1CCOCC1 1772804719 DQZWNHNTFFRMJY-UHFFFAOYSA-N 259.309 1.377 0 50 CDAA C=CC(=O)Nc1cc(C(C)=O)ccc1N1CCOCC1 1772718321 LWAYJLUFKFZQBE-UHFFFAOYSA-N 274.320 1.850 0 50 CDAA Cc1cc(C)cc(N([C@H](C)C(=O)O)S(C)(=O)=O)c1 5028150 WAMURHWJBRYSQL-SNVBAGLBSA-N 271.338 1.543 0 50 CDAA CCN1CCN(C(=O)c2ccc(C)cc2C)CCC1=O 15001131 QVGJTACKPVNQHP-UHFFFAOYSA-N 274.364 1.998 0 50 CDAA COCCNC(=O)c1sc(-c2cccnc2)nc1C 16649756 PDZBUFQRZFCPIX-UHFFFAOYSA-N 277.349 1.890 0 50 CDAA C[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@@H](C)N1 153260531 SLWBSKPEKXAKHM-CHWSQXEVSA-N 261.369 1.613 0 50 CDAA CC1=CC[C@H]2CN(C(=O)c3ccn4nnnc4c3)C[C@H]2C1 216528592 DGTXKUBSAMCGMK-QWHCGFSZSA-N 283.335 1.553 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1(C(=O)O)CC1 237637801 PKMDDYIVEYMOIV-NWDGAFQWSA-N 259.305 1.832 0 50 CDAA CN(CCC1CCOCC1)C(=O)c1ccc(C(=O)O)cn1 563154590 QPZYOOAWRBIHHG-UHFFFAOYSA-N 292.335 1.669 0 50 CDAA C1CC(c2nc(CN3CCO[C@H](C4CC4)C3)no2)CCO1 368888160 LDEXTMKIAAKLIX-ZDUSSCGKSA-N 293.367 1.574 0 50 CDAA COc1ccnc(N[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)n1 583616705 FYQNJSUWWNBVDI-BDAKNGLRSA-N 290.289 1.922 0 50 CDAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)[C@@H]1CCCO1 262878358 KIMFIJUHYNWUGL-RYUDHWBXSA-N 281.283 1.289 0 50 CDAA Cc1cc(NC(=O)[C@H](C)C(=O)O)c(C)c(C)c1O 263554751 NONKHXQUCNPLOU-VIFPVBQESA-N 251.282 1.977 0 50 CDAA Cc1ccncc1NC(=O)[C@@H](C(C)C)N1CCCC1=O 264283920 URNAYVKZTJQGOT-CQSZACIVSA-N 275.352 1.976 0 50 CDAA CC(C)c1nnc(C(=O)NCc2cccnc2N)s1 902686120 CMYXZVZUVGZWST-UHFFFAOYSA-N 277.353 1.569 0 50 CDAA COc1nn(C)cc1C(=O)N1CCCCc2cccnc21 906111942 OJHXHWOQFQTXNM-UHFFFAOYSA-N 286.335 1.807 0 50 CDAA Cc1nccc(NC(=O)NCC[C@@H]2CCCC[C@@H]2O)n1 930840817 XGAXMFHVDNNVED-RYUDHWBXSA-N 278.356 1.848 0 50 CDAA O=C(Cn1cccn1)N1CCn2c(cnc2C(F)(F)F)C1 834333027 YJTSNKQMRUUYNX-UHFFFAOYSA-N 299.256 1.141 0 50 CDAA Cn1cc(-c2cccc(C(=O)Nn3ccccc3=O)c2)cn1 1161080195 DFFLMRFBWKAAIL-UHFFFAOYSA-N 294.314 1.633 0 50 CDAA C1C[C@H]2[C@@H](C1)C1(CCOCC1)CN2c1nnnn1C1CC1 952849391 OUEAMEJGXBPFFS-OLZOCXBDSA-N 289.383 1.794 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cc(C)n(C(C)C)n1 1875272874 BGYVDHOZGSGZGE-AATRIKPKSA-N 265.313 1.231 0 50 CDAA Cc1cc(=O)n(C)cc1NC(=O)OCC(F)(F)F 1875262199 TZSKGQVXZZUMEN-UHFFFAOYSA-N 264.203 1.805 0 50 CDAA Oc1cc(N2CC(O)(C3CC3)C2)c2cccnc2n1 1875295096 QQCJERQBVLECKS-UHFFFAOYSA-N 257.293 1.297 0 50 CDAA CN(C)C/C=C/C(=O)NCc1cccc2c1CCOC2 1875376582 BNXOAOMRKYWLGL-QPJJXVBHSA-N 274.364 1.493 0 50 CDAA CO[C@H]1CCC[C@@H]1S(=O)(=O)Nc1cnc(C2CC2)nc1 1875362643 NTSKPTNLPOUFNZ-RYUDHWBXSA-N 297.380 1.663 0 50 CDAA Cc1cn(C)nc1CN(C=O)C[C@@H](CC(C)C)N(C)C 1875324831 CJFHWLUQNDDTJI-CQSZACIVSA-N 280.416 1.663 0 50 CDAA C[C@H]1CN(C(=O)c2ccoc2)CCN1C(=O)NCC1CC1 1875357332 BUBHNGMKFZNDDU-NSHDSACASA-N 291.351 1.546 0 50 CDAA Cc1cnccc1CN[C@H]1COC[C@H]1Oc1cnn(C)c1 886080463 ZANKSVGRYPGZQW-LSDHHAIUSA-N 288.351 1.060 0 50 CDAA COc1cccc([C@H](C)C(=O)N2CCN(CCF)CC2)c1 957791251 JEVPGJFBNNEBEK-ZDUSSCGKSA-N 294.370 1.912 0 50 CDAA C/C(Cl)=C/C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 1776000415 SMTHOOZUZXVAEQ-RASWUEQRSA-N 256.733 1.399 0 50 CDAA NC(=O)c1cn(C[C@@H]2CC3(CCCCC3)CO2)nn1 1189035206 WYAMESLYBVBVKS-JTQLQIEISA-N 264.329 1.116 0 50 CDAA Cc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1Cl 262461869 INWHHIXJEAGRKK-UHFFFAOYSA-N 297.738 1.700 0 50 CDAA CCc1nccn1CCCN[C@H]1CCCN(CC)C1 65461409 TTXJGRNDBFSAAU-AWEZNQCLSA-N 264.417 1.910 0 50 CDAA Cc1nnsc1CN1CCC(N2CCCC2=O)CC1 71746904 DOHIPCLXYWQTCX-UHFFFAOYSA-N 280.397 1.433 0 50 CDAA O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC(O)(CO)C1 615428519 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SULMRBFTBGXNGF-RBSFLKMASA-N 297.395 1.955 0 50 CDAA COc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)cn1 276683729 LLJRUCFUJYWKOA-KOLCDFICSA-N 250.298 1.844 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](O)C[C@@H]1C 170091067 YZFUQGGLJKOTCG-JQWIXIFHSA-N 287.356 1.668 0 50 CDAA Cc1cc(=O)c(CO)nn1CCCc1ccccc1 170083284 WAQDWVOAQKISET-UHFFFAOYSA-N 258.321 1.677 0 50 CDAA C[C@@]1(C(=O)O)CCCN1S(=O)(=O)C[C@@H]1CCC1(F)F 630447444 YDSRKNIRZKLDNZ-WPRPVWTQSA-N 297.323 1.301 0 50 CDAA C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@H](C(=O)O)C1 584908120 QZPGFUAXLQNQHS-FROQITRMSA-N 293.294 1.541 0 50 CDAA CC[C@H]1C(=O)NCCN1CC1CN(C(=O)OC(C)(C)C)C1 585079862 BQPSIXMVIYEJKL-LBPRGKRZSA-N 297.399 1.064 0 50 CDAA CN(CCCO)Cc1ccc(Br)nc1N 585116545 AHVRMBPLCMGLPJ-UHFFFAOYSA-N 274.162 1.241 0 50 CDAA O=C(NCc1nccs1)[C@H]1CC[C@@H]2CCCCN21 585122141 OMFJSSWRPHVFCR-WDEREUQCSA-N 265.382 1.776 0 50 CDAA CCn1cc(C2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)cn1 188753822 AOVHLZCOFYYSIG-UONOGXRCSA-N 294.374 1.309 0 50 CDAA Cn1cc([C@@H]2CSCCN2Cc2ccon2)cn1 191198482 KJYQKXDBONCGIH-LBPRGKRZSA-N 264.354 1.698 0 50 CDAA CC(C)(C(=O)N1CC[C@H](CO)[C@@H](O)C1)c1ccccc1 192003775 RLLJNFQIPUZLAN-OCCSQVGLSA-N 277.364 1.166 0 50 CDAA COc1ncncc1CN1CCC[C@H]1[C@@H]1CCCN1C 648007859 DIQZMHZZPYRCPW-KBPBESRZSA-N 276.384 1.544 0 50 CDAA Cn1nccc1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 193840661 FXKSDANXEGTLRU-OAHLLOKOSA-N 298.390 1.672 0 50 CDAA O=S(=O)(N[C@]12CCC[C@H]1CNC2)c1ccccc1 711351773 NDWQYMLOGBMVGG-AAEUAGOBSA-N 266.366 1.107 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)n(C)n1 653332463 CRMRHEHSHVJYDJ-CHWSQXEVSA-N 299.330 1.772 0 50 CDAA O=C(Nc1ccc2ncnn2c1)N1C[C@H]2CCC[C@H]2C1 653625190 SURDRUTWPGBBPC-PHIMTYICSA-N 271.324 1.993 0 50 CDAA O=C(O)c1cccc(N2CCC[C@@](O)(C(F)(F)F)C2)n1 718941751 YNBSUNWTDYWOMN-NSHDSACASA-N 290.241 1.673 0 50 CDAA CCO[C@@H]1CCCC[C@H]1n1cc(CNC(=O)NC)nn1 899725650 UVMYUEATDWSYDB-VXGBXAGGSA-N 281.360 1.227 0 50 CDAA Cc1ocnc1C(=O)N1CCC(C2CCNCC2)CC1 1875242802 CISLQMHLHKAEIP-UHFFFAOYSA-N 277.368 1.835 0 50 CDAA CCSCCN1CCC[C@](CO)(CN(C)C)C1 1506400256 BGCDYONHSBOFML-ZDUSSCGKSA-N 260.447 1.376 0 50 CDAA Cc1nn(C)cc1NC(=O)CN(C)C1CCCC1 1506398105 LNNGJOLRJSZJRU-UHFFFAOYSA-N 250.346 1.541 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)NCc1cnc(C)cn1 1506425032 BTNZUXZHGOVJLD-JTQLQIEISA-N 264.373 1.568 0 50 CDAA CC(=O)c1ccc(OC[C@H](O)CNC(C)C)cc1 195595 LXTVJPGACWPWOL-CYBMUJFWSA-N 251.326 1.627 0 50 CDAA in-vitro O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)cc1 225752367 HFFOVZSEJHRHBK-WYUUTHIRSA-N 277.251 1.418 0 50 CDAA Cc1cc(O)cc(=O)n1C[C@H](O)c1cccc(O)c1 1547139393 PDQJYZJQXAGHDA-ZDUSSCGKSA-N 261.277 1.302 0 50 CDAA Nc1nccc(Cl)c1I 14400926 BWMULFKDCVPGNF-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA in-vitro O=C(Cc1noc2ccccc12)NO[C@H]1CCOC1 1875259119 COCUFFWQHXKNHI-VIFPVBQESA-N 262.265 1.207 0 50 CDAA CCCN1CCC(N2CCC(C(=O)O)CC2)CC1 19735730 WVQARFWGLDYKMP-UHFFFAOYSA-N 254.374 1.657 0 50 CDAA in-vitro Cc1ccc(Br)c(NCC(C)(CO)CO)n1 712346620 MFFRTTQYTHOFTL-UHFFFAOYSA-N 289.173 1.555 0 50 CDAA C[C@@H](CN[C@]1(CO)CCOC1)c1ccc(F)cc1 225480801 IDLKHXRAEOPYAM-FZMZJTMJSA-N 253.317 1.670 0 50 CDAA Cc1cc(C)nc(N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1704299652 PCVICQCJKUBDFO-TZMCWYRMSA-N 287.367 1.165 0 50 CDAA O=C(c1cccnc1NCc1cc[nH]n1)N1CCCC1 1704297153 IUGFZIGDUSMXDG-UHFFFAOYSA-N 271.324 1.653 0 50 CDAA CCCO[C@H]1CCCN(c2nc(C)cc(C(=O)O)n2)C1 231950620 MFGCATRPZCKZFZ-NSHDSACASA-N 279.340 1.879 0 50 CDAA CN1CCC2(CC1)CCN(C[C@H]1CCC(=O)N(C)C1)C2 1775981826 WYVVLMHSQVNCCF-AWEZNQCLSA-N 279.428 1.273 0 50 CDAA Cc1nnnn1Cc1ccc(C(=O)N2C[C@@H]3C[C@@]3(C)C2)cc1 1772806897 LWUHYWIBGCFCAO-HOCLYGCPSA-N 297.362 1.512 0 50 CDAA COc1ccc(OC[C@@H](C)NS(C)(=O)=O)cc1 12383565 WJELKXJQFMPPHV-SECBINFHSA-N 259.327 1.012 0 50 CDAA CC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12584567 KNDVYYXYTGQLDV-CYBMUJFWSA-N 264.300 1.105 0 50 CDAA CCOC(=O)c1cnc(NCc2ccccc2)[nH]c1=O 13563092 WMTXGJNOINUZEU-UHFFFAOYSA-N 273.292 1.559 0 50 CDAA CN1CCN(C(=O)COc2ccc(Cl)cc2)CC1 19642817 AIRBUCRNNZNZLR-UHFFFAOYSA-N 268.744 1.493 0 50 CDAA Cc1cc(C)c(NC(=O)CN2CCOCC2)c(C)c1 19799288 UGYRHNYMGSCWQU-UHFFFAOYSA-N 262.353 1.883 0 50 CDAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1nccn1C 1857687226 LYJPUSQEGUHFTC-UHFFFAOYSA-N 286.339 1.078 0 50 CDAA C[C@@H](CC(=O)NCc1nc2ncccc2o1)n1cccn1 1857672463 DUQQEYRRSBTMEI-JTQLQIEISA-N 285.307 1.687 0 50 CDAA COc1ccc(-c2nccn2C[C@]2(O)CCNC2)cc1F 1857740018 DWFDFKRQEUYRGC-HNNXBMFYSA-N 291.326 1.422 0 50 CDAA CCc1nsc(N(C)C[C@H]2CCc3nccn3C2)n1 328623756 JLNUVMWSPCMFQI-SNVBAGLBSA-N 277.397 1.996 0 50 CDAA O=C1[C@H](Sc2nc(O)cc(C3CC3)n2)CCN1C1CC1 333082246 QTPUACBRPCILOD-LLVKDONJSA-N 291.376 1.915 0 50 CDAA COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H]1CCCO1 9763943 OLKNXEOXMHABML-GFCCVEGCSA-N 299.392 1.769 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(-n3cccn3)cc2)C1 237659013 LQMYYLWMFXKJLL-MRXNPFEDSA-N 299.330 1.809 0 50 CDAA O=C(CN1CCC[C@@H]1C(=O)O)Nc1ccc(Cl)cn1 238094884 QDFJPQAFYZMFRD-SECBINFHSA-N 283.715 1.223 0 50 CDAA O=C(O)COc1ccc(/C=C2/SC(=O)NC2=O)cc1 15011574 WXMCOLGPDOYHNK-WEVVVXLNSA-N 279.273 1.474 0 50 CDAA in-vitro Cc1noc(C)c1C(=O)N1C[C@@H](N)[C@H](c2ccccc2)C1 261797095 QPPCFCIURKJSBY-UONOGXRCSA-N 285.347 1.858 0 50 CDAA COC(=O)C12CC(CN1C(=O)c1ccc(C)c(OC)c1)C2 585113578 ATMDEYHBFZEMLF-UHFFFAOYSA-N 289.331 1.781 0 50 CDAA O=C(OC[C@@H]1CCCOC1)c1cc(F)cc2nn[nH]c12 800258770 ZEUFEOATEZZLLN-MRVPVSSYSA-N 279.271 1.680 0 50 CDAA Cn1nnc2c(C(=O)OCc3ccc(F)cn3)ccnc21 801495026 CELWILQXHQGZHM-UHFFFAOYSA-N 287.254 1.254 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCNC12CCCC2 902430555 CFQUYIKULPGZBY-OWCLPIDISA-N 271.408 1.875 0 50 CDAA COC1CC(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)C1 906256522 WCCOOVIGNROEPI-UHFFFAOYSA-N 296.273 1.675 0 50 CDAA CCC(=O)N1CCCN(Cc2ccc(C(=O)O)cc2)CC1 820257019 RKRPBBYRMMERGM-UHFFFAOYSA-N 290.363 1.829 0 50 CDAA O=C(NCCc1ccc[nH]1)c1ccc2c(c1)C(=O)NCCO2 935150893 HSBKBKVWUYRDBK-UHFFFAOYSA-N 299.330 1.109 0 50 CDAA O=C(N[C@@H]1C=CCC1)c1ccccc1N1CCOCC1 855424216 CKMIBOYMGRKORF-CYBMUJFWSA-N 272.348 1.972 0 50 CDAA CC(=O)c1cccc(N(C)CCc2cnccn2)n1 865653375 FJECQMXDOWLFBD-UHFFFAOYSA-N 256.309 1.753 0 50 CDAA CC(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc[n+]([O-])c1 952876875 HFABSLHYILARHO-GXTWGEPZSA-N 293.367 1.893 0 50 CDAA C[C@@H]1C[C@@]2(C(=O)NCc3nc(C(F)(F)F)n[nH]3)C[C@@H]12 1875294507 HHBMRERNAHVPBT-GOZTUDAPSA-N 274.246 1.486 0 50 CDAA CO[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1n[nH]c2c1CCC2 1875308770 VULZEFIODSHVIF-PSJXJDHFSA-N 275.352 1.442 0 50 CDAA O=C(Nc1nc2c(s1)CCC2)N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12 1875304180 CKHVDFNXEUYQEH-KBIXCLLPSA-N 293.392 1.770 0 50 CDAA C=CC(=O)N1CCC(C(=O)NC2(C3CC3)CC2)CC1 1875370680 YYAVUVOLZSGVEY-UHFFFAOYSA-N 262.353 1.470 0 50 CDAA CCS(=O)(=O)N1CCN(Cc2ccccc2C)CC1 19520370 GWGCHYYNEVMUCZ-UHFFFAOYSA-N 282.409 1.462 0 50 CDAA COc1nn(C)cc1C(=O)NC[C@@H]1CCCC(C)(C)O1 890120875 ZRKNCOKKEWLQHL-JTQLQIEISA-N 281.356 1.506 0 50 CDAA Cn1cc(C(=O)N2CC[C@@H](Cc3nccs3)C2)cn1 890229736 NXUFIPCNIFUDCR-JTQLQIEISA-N 276.365 1.581 0 50 CDAA COC(=O)[C@H]1SCCN1C(=O)CCc1cccc(O)c1 1775999885 XOWRHOUBFLFATR-CYBMUJFWSA-N 295.360 1.399 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)CCc3cccs3)C[C@@H]21 252587584 ZIGZRERIIHCQSD-KGYLQXTDSA-N 264.394 1.876 0 50 CDAA Cc1ccncc1C(=O)N1CCC(CC(=O)O)CC1 257654601 CNBBJDRCVBBQNP-UHFFFAOYSA-N 262.309 1.717 0 50 CDAA COc1ccc(CN2C(=O)CN(C3CC3)C2=O)cc1F 261373951 NBWBHHRMDRTVBI-UHFFFAOYSA-N 278.283 1.761 0 50 CDAA C[C@H]1CO[C@H](C)CN1C(=O)Cc1ccc(C(=O)O)cc1 263301069 DEZBSDXULXQRQF-WDEREUQCSA-N 277.320 1.563 0 50 CDAA CO[C@H](CNC(=O)[C@@H]1CCN[C@@H]1C)c1ccccc1 517365664 IYOISFIYDOXGQZ-MRVWCRGKSA-N 262.353 1.488 0 50 CDAA CCN(Cc1cnn(CC)c1)C(=O)NC1(C(=O)O)CC1 426415289 GYWLJVVBZZCNLX-UHFFFAOYSA-N 280.328 1.052 0 50 CDAA CC(C)c1nnc(N2CCN(CCC(=O)O)CC2)s1 534666202 WYBJTBXOCQDDNS-UHFFFAOYSA-N 284.385 1.258 0 50 CDAA Cn1cncc1C(=O)NCc1cccc2c1CCCN2 335433340 JEVKQWOUPOTPCH-UHFFFAOYSA-N 270.336 1.708 0 50 CDAA CCOc1cc(NCc2nc(C)cc(O)n2)ncn1 894378434 YNBNYNLPNNIXBA-UHFFFAOYSA-N 261.285 1.291 0 50 CDAA CN1CCC[C@]2(CCCN2C(=O)c2ccc(O)nc2)C1=O 2100543337 QBQVPYADCSOJIS-HNNXBMFYSA-N 289.335 1.014 0 50 CDAA CCN1CCn2c(nnc2-c2ccccc2C)C1=O 2100555192 MWUZGRKMLMCRMM-UHFFFAOYSA-N 256.309 1.729 0 50 CDAA O=C([C@H]1C[C@@H]2CC[C@H](C1)O2)N1CCC[C@@H]2CC[C@@]21C(=O)O 2325806947 PSDVXWACCPFUJE-MXOJCPGVSA-N 293.363 1.800 0 50 CDAA CCc1noc([C@H](C)N2CCN(C(=O)C3CC3)[C@@H](C)C2)n1 2325815798 MJLBLCBVVDRFBO-QWRGUYRKSA-N 292.383 1.636 0 50 CDAA Cc1c(CNC(=O)C(=O)N2CCC2)noc1-c1ccccc1 2325818047 UQOPGCKZLCLKNM-UHFFFAOYSA-N 299.330 1.499 0 50 CDAA N=c1nc2c(c[nH]1)CN(c1ncnc3ccc(O)cc13)C2 2325862783 IQCGKNSSGIFTTQ-UHFFFAOYSA-N 280.291 1.058 0 50 CDAA CC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 279172 VQDMJWVOZWUBSW-GHMZBOCLSA-N 276.336 1.894 0 50 CDAA COc1ccc(Nc2nc(OC)nc(OC)n2)c(OC)c1 620378 RQCSSOQFYWTRLC-UHFFFAOYSA-N 292.295 1.650 0 50 CDAA NC1=NC(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S1 2227993 WJSYVWNZCZWFIX-MRVPVSSYSA-N 283.740 1.625 0 50 CDAA C[C@@]1(C(=O)N=c2cc(-c3ccco3)[nH][nH]2)CCC(=O)O1 2356143810 XHTNCDSWTMWGEM-ZDUSSCGKSA-N 275.264 1.126 0 50 CDAA Cc1cccc(CCN2CCC[C@]23CCCNC3=O)n1 2356146446 HEQOEDUKTOZUGD-INIZCTEOSA-N 273.380 1.677 0 50 CDAA COc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 2656176 PKEODVXQCNEPJX-UHFFFAOYSA-N 273.310 1.080 0 50 CDAA COc1ccc(C)cc1NC(=O)CSc1nnnn1C 3264927 ZYZLZCUXNXBTHM-UHFFFAOYSA-N 293.352 1.258 0 50 CDAA CCOc1ccc(C[C@@H]2SC(=N)NC2=O)cc1 4075851 BXAFQNAEYXEBHY-JTQLQIEISA-N 250.323 1.794 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 4785193 ZVOHAGXAHBJJNM-GFCCVEGCSA-N 299.348 1.323 0 50 CDAA Cc1cc(C)n(C[C@@H]2CCCN2[C@H]2CCOC2=O)n1 247919677 NKARYDGFYXGRKW-STQMWFEESA-N 263.341 1.280 0 50 CDAA Cc1nc(Cc2noc(Cc3ccc4n[nH]cc4c3)n2)no1 345855262 WVBGEOJBFRICAP-UHFFFAOYSA-N 296.290 1.819 0 50 CDAA COc1ncccc1-c1ccc(S(N)(=O)=O)s1 67894878 HSCBKPHIUAQFSP-UHFFFAOYSA-N 270.335 1.466 0 50 CDAA O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CCOC1 179030923 NQHRZMPSMHCPDM-LBPRGKRZSA-N 265.284 1.694 0 50 CDAA CC[C@@H](C)[C@@H](NCCc1ccncc1)C(=O)OC 351606898 VJAKHBZIDQQVIS-DGCLKSJQSA-N 250.342 1.801 0 50 CDAA Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 229356485 MPNYDNIYCCXNRF-NEPJUHHUSA-N 299.396 1.197 0 50 CDAA Cn1cnc2cc(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)ccc21 1074575123 JJEPZFKLRGQPPQ-MISXGVKJSA-N 271.320 1.481 0 50 CDAA CNc1cc(C(=O)NC[C@@]2(C)CC(C)=NO2)ccn1 65383897 QRTUJLUDFPUFPO-CYBMUJFWSA-N 262.313 1.408 0 50 CDAA CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12 5895 ULFRLSNUDGIQQP-UHFFFAOYSA-N 269.352 1.912 0 50 CDAA biogenic,fda COc1cc2c(cc1OC)[C@H](CC(=O)O)CC(=O)N2 34929342 MGHAPYBRWPXHSP-ZETCQYMHSA-N 265.265 1.604 0 50 CDAA Cc1cccc(C(=O)NCC(=O)Nc2nnc(C)s2)c1 37143226 SSALIFIVCFFXCW-UHFFFAOYSA-N 290.348 1.523 0 50 CDAA Cn1nccc1C(=O)NCc1cn2cc(Cl)ccc2n1 121274234 POPALUMWYYQMDM-UHFFFAOYSA-N 289.726 1.651 0 50 CDAA CCc1noc(C)c1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@H]1COC 219282353 NTZXEWLUTONOFT-NUZBWSBOSA-N 294.351 1.325 0 50 CDAA COC[C@@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 218930704 RIDYKQYYVPUDRT-LLVKDONJSA-N 251.330 1.145 0 50 CDAA Brc1cn2nc(Br)nc2cn1 307533857 BAJUHIQABQGBLO-UHFFFAOYSA-N 277.907 1.649 0 50 CDAA COc1ccc(C)cc1/C=C/C(=O)N(C)[C@H]1CCNC1 328596360 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55042631 FJJXUBCYGVHZCB-UHFFFAOYSA-N 288.351 1.291 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(CCCCc2ccccn2)C1 65419370 MVMCNOHUIQKNDT-LLVKDONJSA-N 262.309 1.337 0 50 CDAA CC[C@@H](NC(=O)c1ccnc(NC)c1)c1ccnn1C 65421711 ORPCUYBUUMFCOS-LLVKDONJSA-N 273.340 1.738 0 50 CDAA CN1CCC/C(=C\O/C=C2\CCCN(C)C2=O)C1=O 22015671 JALVQPBTLJNQLR-WGDLNXRISA-N 264.325 1.275 0 50 CDAA CCCc1nc(CN2CCN(CCOC)[C@@H](CC)C2)no1 229387616 TXDNRVXRJTZXEZ-ZDUSSCGKSA-N 296.415 1.565 0 50 CDAA C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H](c1cnn(C)c1)N(C)C 230129757 BZEFKLGASUUINS-KWCYVHTRSA-N 293.415 1.511 0 50 CDAA COc1cc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)ccc1C 1074625245 JHRZISFVOWNATJ-OUCADQQQSA-N 261.321 1.911 0 50 CDAA CN(C(=O)c1cc2n(n1)CCCO2)c1ccccn1 332183051 PCONREYNSJHCSZ-UHFFFAOYSA-N 258.281 1.337 0 50 CDAA CN(C)c1ccccc1CN[C@H](CS(C)(=O)=O)C1CC1 252503502 VEAKITGJBUVXOE-CQSZACIVSA-N 296.436 1.665 0 50 CDAA O=C(O)c1ccc(N2C(=O)C=CC2=O)cc1Cl 181049 HQOFUIDDNBUQEK-UHFFFAOYSA-N 251.625 1.468 0 50 CDAA O=c1ccc(Br)c(Br)[nH]1 75251061 CCKJYPOAUOWZTD-UHFFFAOYSA-N 252.893 1.900 0 50 CDAA Cn1ncnc1N1C(=O)C2(CCCCCC2)N=C1O 328596082 RKVABBNWWXKMAB-UHFFFAOYSA-N 263.301 1.169 0 50 CDAA CC(C)[C@@H](C(N)=O)n1ccnc1-c1ccccc1C(=O)O 71738786 YOEORZHKJOSFKU-LBPRGKRZSA-N 287.319 1.931 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cscn2)C1 328630409 JIXJUSYKGDXQKK-LBPRGKRZSA-N 295.408 1.326 0 50 CDAA CC(C)[C@H]1CN(c2ncccn2)CCC(=O)N1CC1CC1 71416382 DUUFGAMXSZAHQW-CQSZACIVSA-N 288.395 1.950 0 50 CDAA Cc1cnc(C)c(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1 253428964 GDXXIMXKPIWDSQ-DOMZBBRYSA-N 277.368 1.868 0 50 CDAA O=C(NCc1ccc[nH]1)C(=O)Nc1ccc2c(c1)CCC2 123911529 UQYHXUTYGPWQPL-UHFFFAOYSA-N 283.331 1.758 0 50 CDAA CCCc1ncncc1C(=O)NCCc1cnc[nH]1 215422879 ZIVBLHIASIXZIT-UHFFFAOYSA-N 259.313 1.125 0 50 CDAA CC(=O)NC(C)(C)c1noc([C@]2(F)CCOC2)n1 332360057 JFJNGISOOUGMAB-NSHDSACASA-N 257.265 1.026 0 50 CDAA CC(C)NC(=O)C1=C(O)CN(c2ccccc2)C1=O 217441010 PIVJIENLPTYSCX-UHFFFAOYSA-N 260.293 1.370 0 50 CDAA CC(C)C(=O)NCCN=c1ccc(-c2ccccc2)n[nH]1 338382732 OJFWALIHFUJBMB-UHFFFAOYSA-N 284.363 1.750 0 50 CDAA COc1cccc([C@@H]2C[C@@H](O)CN2Cc2c[nH]cn2)c1 282162910 LVDMULYDWJDNIS-HIFRSBDPSA-N 273.336 1.726 0 50 CDAA CCOc1ccc(C(=O)NCc2cnn3cccnc23)o1 218840644 JQWSEZCWAGDDJM-UHFFFAOYSA-N 286.291 1.651 0 50 CDAA COc1cc(F)c(C(=O)N2CCCNCC2)cc1OC 237296845 FZYSLRZVBHRBDJ-UHFFFAOYSA-N 282.315 1.278 0 50 CDAA CCC[C@H](C)N1CC2(CCN(C(=O)COC)CC2)OC1=O 77470880 ZFEAEUAKZWPRBA-LBPRGKRZSA-N 298.383 1.635 0 50 CDAA CCn1nnc(C)c1C(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 333962044 MOUWVJHQIPMTLS-OCCSQVGLSA-N 274.368 1.867 0 50 CDAA Cc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)nc1C 334062865 ZTXXFLKBXZUQEE-LLVKDONJSA-N 270.336 1.709 0 50 CDAA CC(C)=CCN1CCN(Cc2cc(C)n[nH]2)C[C@H]1CCO 39466366 YFHIGPYGFPHRQM-MRXNPFEDSA-N 292.427 1.553 0 50 CDAA O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CC[C@@H](C2CC2)C1 334449233 JRNLFJYAOHYCTP-LLVKDONJSA-N 299.330 1.089 0 50 CDAA c1ccc(CNc2nnc(N3CCOCC3)o2)cc1 521398297 WPKHTQVUZSUKNM-UHFFFAOYSA-N 260.297 1.518 0 50 CDAA C[C@@](O)(CCNC1=NCCCCN1)c1ccccc1 521396922 GMVUSKSURKITHS-OAHLLOKOSA-N 261.369 1.613 0 50 CDAA CCSCCCNC(=O)CN1Cc2ccccc2C1=O 283312552 OBWWYVNGRRIGAX-UHFFFAOYSA-N 292.404 1.902 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1c1nccc(C(F)(F)F)n1 284603787 RGTVUVGHHJFMOG-IUCAKERBSA-N 291.273 1.736 0 50 CDAA Cc1ccnn1CCC(=O)N1CCCN2CCC[C@H]2C1 222373410 HUDRKRTVUYVSRZ-AWEZNQCLSA-N 276.384 1.278 0 50 CDAA CCCn1cc(CNC(=O)[C@H](C)n2ccnc2C)cn1 426388535 RPDSSXCFAIVLLP-NSHDSACASA-N 275.356 1.675 0 50 CDAA CN(C)c1ccc(-c2nc(N3CCCCC3)n(C)n2)cn1 426431753 IBALRGWKDJNTPB-UHFFFAOYSA-N 286.383 1.933 0 50 CDAA COc1cc(CCNC(=O)N2CC[C@@H](O)C2)cc(OC)c1 426734511 NLJIYBAVNKEISD-GFCCVEGCSA-N 294.351 1.023 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2ccc(C)n(C)c2=O)C1 426419984 LOTUSOZVIHENJQ-CYBMUJFWSA-N 292.379 1.582 0 50 CDAA Cn1nncc1CNc1ccc(C(F)(F)F)cn1 288274291 QPPRGXCALLQNSR-UHFFFAOYSA-N 257.219 1.841 0 50 CDAA CC(C)(C)COC(=O)NCc1cc2n(n1)CCNC2 82083790 ZMKNEQQICZGBBU-UHFFFAOYSA-N 266.345 1.259 0 50 CDAA CC(C)Cn1c(CN)nnc1SCC[C@@H]1CCOC1 426545504 XBWIDXRGBIIEFV-NSHDSACASA-N 284.429 1.912 0 50 CDAA N=c1[nH]c([C@H]2CCOC2)cc(=NCCCc2ccccc2)[nH]1 426496972 RDEGXOCULLQPDL-AWEZNQCLSA-N 298.390 1.860 0 50 CDAA CC[C@@H](NC(=O)c1cnc(SC)nc1)c1ccnn1C 220509737 BYDVMSNXEBKMQP-SNVBAGLBSA-N 291.380 1.813 0 50 CDAA Cc1cc(-c2cncc(C(=O)N3CCCC3)n2)[nH]n1 97323878 ZRWBZLPUXCJQPH-UHFFFAOYSA-N 257.297 1.411 0 50 CDAA Cc1cc(CNC(=O)CC[C@@H]2CCCN(C)C2)n(C)n1 91908380 SDITWYPNWNRDDK-ZDUSSCGKSA-N 278.400 1.467 0 50 CDAA CN1C[C@H](C(=O)N2CCc3[nH]cnc3C2)Oc2ccccc21 96163134 QJPVNURWFKYGNB-OAHLLOKOSA-N 298.346 1.192 0 50 CDAA OCCn1nc(C2CCCC2)nc1[C@H]1CCOC1 96139531 WSRXBHKLILTVER-NSHDSACASA-N 251.330 1.432 0 50 CDAA CC(C)CCN1C[C@@]2(CCCN(CC(N)=O)C2)CCC1=O 91526860 IQSOXIJZKOXNHC-INIZCTEOSA-N 295.427 1.222 0 50 CDAA CN(C(=O)CCc1cccc(F)c1F)[C@H]1CCNC1 179050872 AGPCRFZFRLCRCE-NSHDSACASA-N 268.307 1.718 0 50 CDAA CSCC[C@H](NC(=O)c1ccncc1Cl)C(=O)O 91449028 QCEGBEMKMVDJCJ-VIFPVBQESA-N 288.756 1.671 0 50 CDAA COCCN1C[C@@H](Cc2cccc(OC)c2)CC1=O 244873527 WRSPEDFSVHUTCO-ZDUSSCGKSA-N 263.337 1.733 0 50 CDAA O=C(CCN1CCSCC1)NCc1ccccc1F 244811537 SGLZIGXHNPVJJP-UHFFFAOYSA-N 282.384 1.881 0 50 CDAA O=C(N[C@H](C1CCNCC1)[C@H]1C[C@@H](O)C1)c1ccsc1 244852528 UUAQFAMOSLTJHU-HZSPNIEDSA-N 294.420 1.617 0 50 CDAA O=C([C@@H]1C[C@@H](F)CN1Cc1ccco1)N1CCOCC1 299745910 UAALGMFPUGTQPU-YPMHNXCESA-N 282.315 1.051 0 50 CDAA CCCCOc1ccccc1C(=O)N[C@H]1CCNC1=O 244893035 YUBOSPQMHDULNX-LBPRGKRZSA-N 276.336 1.484 0 50 CDAA CCn1ccnc1CNC(=O)CN1CCCCCCC1=O 295786689 QNXGKDFHQQNZSV-UHFFFAOYSA-N 292.383 1.312 0 50 CDAA O=C(NCCn1cccc1)[C@H]1COc2ccccc2O1 253412698 RTEANWQUDJLBMM-CQSZACIVSA-N 272.304 1.444 0 50 CDAA O=C(Nc1ccc(Cl)nc1)N1CC2(CCOC2)C1 296702630 ZFLIOHMRIBBISI-UHFFFAOYSA-N 267.716 1.989 0 50 CDAA Cc1ocnc1CNC(=O)NC[C@]1(O)CCCC1(C)C 297186070 FSRPUUVGQMPDSU-CQSZACIVSA-N 281.356 1.723 0 50 CDAA COCCN1CC(O)=C(c2nc3ccccc3[nH]2)C1=N 252539641 OFMJRHQTVNNKMR-UHFFFAOYSA-N 272.308 1.771 0 50 CDAA Cc1ccc(CCNC(=O)COC[C@@H]2CCCCO2)o1 252509992 YZOMERXCKKEUQI-AWEZNQCLSA-N 281.352 1.832 0 50 CDAA CCN(CC1CC1)S(=O)(=O)NC[C@@H]1Cc2ccccc21 183823310 QVUKVTUPMZDFLH-AWEZNQCLSA-N 294.420 1.893 0 50 CDAA O=C(Nc1ccncc1F)N1CC[C@@]2(CCOC2)C1 184147630 LHVZLDZFXFRQAT-CYBMUJFWSA-N 265.288 1.865 0 50 CDAA Cc1cc(=O)cc(C(=O)NCC2(Cn3cccn3)CC2)o1 534644678 QYKZJZIGAUIOFB-UHFFFAOYSA-N 287.319 1.355 0 50 CDAA Cc1ccc(C)c(OCCNC(=O)N2CC[C@H](N)C2)c1 826951606 GYUSMKVLMAHXJB-ZDUSSCGKSA-N 277.368 1.425 0 50 CDAA C[C@@H](Cn1ccnc1)N1CCCN(C(=O)C2CCC2)CC1 821751103 FWFJNARUBLFHQD-AWEZNQCLSA-N 290.411 1.606 0 50 CDAA C[C@H](NC(=O)c1cncs1)c1nnc(N)s1 670471194 FQIMQVACNLXHKS-BYPYZUCNSA-N 255.328 1.068 0 50 CDAA CN1CCC[C@H]1C(=O)NCCSC(F)(F)F 748551912 VDIPHUQIWJQCBH-ZETCQYMHSA-N 256.293 1.450 0 50 CDAA Cc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)nn1C 239415206 TZNUZBSBXWBGFB-FSZOTQKASA-N 275.308 1.190 0 50 CDAA COc1cccnc1C(=O)CP(=O)(OC)OC 1535541367 IDMSYTJMBWIQPT-UHFFFAOYSA-N 259.198 1.759 0 50 CDAA CC(C)(O)C1CN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 1551487341 RRKNQLOKAFWFAR-ZIAGYGMSSA-N 289.379 1.023 0 50 CDAA CC[C@H](C(=O)N1CCC2(CCC(=O)N2C)CC1)N(C)CC 952967656 KRKNXCIKFSVXOS-CYBMUJFWSA-N 295.427 1.330 0 50 CDAA CC(C)(C)OC(=O)N1CCC(O)([C@@H](N)C2CCC2)CC1 958528961 ZXYYMTGQUGHDTR-LBPRGKRZSA-N 284.400 1.876 0 50 CDAA CC[C@@H]1C=CCN1Cc1ccc(OCC(N)=O)c(OC)c1 952975511 LDGLDDWKPNWQRY-CYBMUJFWSA-N 290.363 1.710 0 50 CDAA CC(C)(C)OC(=O)[C@@H](N)CC(=O)OCc1ccccc1 74938248 OFNHAOOUAHIECU-LBPRGKRZSA-N 279.336 1.789 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CCC(c2nc(N)n[nH]2)CC1 205208388 HWWSOHMZIWEUHY-UHFFFAOYSA-N 267.333 1.501 0 50 CDAA CCOc1cc(N2CCC(OC)CC2)nc(C)n1 408518354 CINDJBVVAJIHRN-UHFFFAOYSA-N 251.330 1.799 0 50 CDAA O=C1NC2(CCCC2)C(=O)N1CCC[C@H]1CCOC1 515146181 YDCBPHGEGHVDIM-NSHDSACASA-N 266.341 1.668 0 50 CDAA CC(C)[C@H](NC(=O)c1cncc(C(=O)O)c1)c1ncon1 630184304 KDZDMRVXZDKLJH-JTQLQIEISA-N 290.279 1.290 0 50 CDAA Cc1nonc1CNCc1nn(C)cc1Br 393321614 LKKPFNAUGBAHQE-UHFFFAOYSA-N 286.133 1.164 0 50 CDAA Cc1csc([C@H]2CCCN(C(=O)[C@H]3CSCN3)C2)n1 167087105 MWWAXUPMVCOGTJ-WDEREUQCSA-N 297.449 1.820 0 50 CDAA COc1ccc2c(c1)[C@@H](NC(=O)c1cn[nH]c1)CCO2 274332965 AZQLZRYQBZNCSC-LBPRGKRZSA-N 273.292 1.672 0 50 CDAA Cc1nn(C)cc1CCC(=O)Nc1cncc(C(=O)O)c1 1594484340 LLTLEVWAQHBYDS-UHFFFAOYSA-N 288.307 1.393 0 50 CDAA Cc1nnc(N(C)[C@@H]2CCCN(CC(C)(C)C)C2=O)n1C 585115961 BRFJQVLZNKBTIC-GFCCVEGCSA-N 293.415 1.597 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H]2c2nc[nH]n2)ns1 585131315 RMVQOKQJBDDOBU-VIFPVBQESA-N 263.326 1.547 0 50 CDAA C[C@H](O)[C@H](O)CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 585117048 PWBWDRJZJOMYTR-MWODSPESSA-N 297.786 1.951 0 50 CDAA CN1C[C@H](C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)CC1=O 188693210 KODROXVCORLBOO-WZRBSPASSA-N 282.384 1.032 0 50 CDAA C[C@@H](c1nnnn1C)N1CCO[C@H](c2ccc(F)cc2)C1 188717031 SQPFFQBHJIVPSB-GWCFXTLKSA-N 291.330 1.484 0 50 CDAA COc1ccnc(C(=O)N[C@](C)(CC(=O)O)C(C)C)c1 648341441 CMAGWXBZKLLIIX-CQSZACIVSA-N 280.324 1.709 0 50 CDAA O=C(O)[C@]1(C(=O)NCc2cscn2)CC=CCC1 653304706 VCTRFZRIDWKFTJ-GFCCVEGCSA-N 266.322 1.570 0 50 CDAA Cc1cc(CC(=O)NC[C@@]2(O)CCCC2(C)C)n(C)n1 576145810 DQMKURXPFALNLM-HNNXBMFYSA-N 279.384 1.328 0 50 CDAA Cn1ccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)n1 585080740 HIIUGNNKQCGZHN-UHFFFAOYSA-N 291.738 1.417 0 50 CDAA Cc1cnc(-c2cccc(NC(=O)[C@@H]3COCCO3)c2)[nH]1 585127566 DJPFSUZSDUXIQO-ZDUSSCGKSA-N 287.319 1.739 0 50 CDAA C[C@H](NC(=O)Cn1nccc1N)[C@@H]1C[C@H]2CC[C@H]1C2 1616037090 BRLMUHCQIWIMIW-BJDJZHNGSA-N 262.357 1.406 0 50 CDAA O=C(O)CCN1CCC(CNC(=O)c2ccco2)CC1 1506408430 DXMZRTNQBDRBCD-UHFFFAOYSA-N 280.324 1.196 0 50 CDAA COC(=O)[C@H]1CCc2nnc(CC(C)(C)C)n2CC1 601044188 OVOFEVWQRNTEAN-JTQLQIEISA-N 265.357 1.992 0 50 CDAA C[C@H]1CN(C(=O)OCC(F)(F)F)CC[S@](=O)C1 225836965 JESQJGDSFUWPHT-SKLCBMLGSA-N 273.276 1.386 0 50 CDAA COc1cccnc1N(C)C(=O)[C@H]1CCCCO1 121411423 VMNKDSPGWISWRJ-LLVKDONJSA-N 250.298 1.622 0 50 CDAA NC[C@H](C(=O)NCc1cccnc1O)C1CCCCCC1 1615548896 UJVFJMALXIEABD-AWEZNQCLSA-N 291.395 1.949 0 50 CDAA CC(C)n1cnc(S(=O)(=O)N(C)c2ncccc2F)c1 154400926 PZGKHRNZMLHFGY-UHFFFAOYSA-N 298.343 1.823 0 50 CDAA NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 4839750 GHYWHYHXKQASKQ-UHFFFAOYSA-N 283.353 1.352 0 50 CDAA CCN(C)C(=O)NCCc1ccc(OC)c(OC)c1 134238851 XTZREUDNDCYQGF-UHFFFAOYSA-N 266.341 1.908 0 50 CDAA Cc1ncc(Cl)c(N2CCC3(CC2)COC(=O)O3)n1 1772701238 MQWCBCSCTFEZCW-UHFFFAOYSA-N 283.715 1.944 0 50 CDAA Cc1ncc(Cl)c(N2C[C@@H]3CCC[C@H](C2)C(=O)N3C)n1 1772703811 ZVIKYANBJLKQIK-MNOVXSKESA-N 294.786 1.886 0 50 CDAA COC(=O)c1sccc1NC(=O)C[N@]1C[C@@H]1C 1857525204 WZTQTUCHLJRMFW-CPFSXVBKSA-N 254.311 1.177 0 50 CDAA NC(=O)c1csc(C(=O)NC[C@H]2CC[C@H](F)C2)c1 1857530703 YEOXJSXBLLRKRQ-CBAPKCEASA-N 270.329 1.715 0 50 CDAA CC(=O)c1cc(N)ccc1OC[C@@H](O)CNC(C)C 5138351 DBUJVRULIBQHKT-LBPRGKRZSA-N 266.341 1.209 0 50 CDAA in-vitro CCN1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 12718384 AQNSOVOIMRZZSQ-CYBMUJFWSA-N 286.339 1.085 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)c(C)c1 13124462 DFDSXSIGTTWVGK-NSHDSACASA-N 285.307 1.417 0 50 CDAA CCOc1ccccc1C(=O)NC1CCN(C)CC1 16602655 HKMWOQNIJSGQEV-UHFFFAOYSA-N 262.353 1.909 0 50 CDAA COc1ccccc1NC(=O)CSc1nc(C)n[nH]1 18093677 NIFQOFODJFOXKK-UHFFFAOYSA-N 278.337 1.853 0 50 CDAA Cc1nc(CC(=O)N[C@@H](C)Cn2cncn2)c(C)s1 153342096 TXUVKDYPLXHKJU-QMMMGPOBSA-N 279.369 1.099 0 50 CDAA O=C(N[C@H]1CCCOC12CCNCC2)c1ccc[nH]1 1857690095 WAAYCYBVEZGDBR-LBPRGKRZSA-N 263.341 1.046 0 50 CDAA Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)nc2ccccn12 1857672440 CYLXWEJFDYCGTJ-ITGUQSILSA-N 285.347 1.771 0 50 CDAA CC[C@H](c1ncnn1CC)n1ccnc1-c1cc[nH]c(=N)c1 1857705174 WJMAWUNJSZBZLU-GFCCVEGCSA-N 297.366 1.968 0 50 CDAA Cc1ccc(C(=O)NC(=S)NC[C@H]2CCCO2)cc1 301598 RPFREANMLWCYMJ-GFCCVEGCSA-N 278.377 1.778 0 50 CDAA OCCc1ccccc1-c1cnc(N2CCC[C@H](O)C2)nc1 629761244 USAAMGWWJSEVLQ-HNNXBMFYSA-N 299.374 1.640 0 50 CDAA COCC(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 328641488 XYWPYNUYGLBIKH-JTQLQIEISA-N 268.382 1.976 0 50 CDAA Cn1ccnc1[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 331976048 VKEQAROAEGZTRV-JHJVBQTASA-N 292.383 1.223 0 50 CDAA Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCOC2)C(=O)O)c1 237655551 CCAPPNYXZHQJAO-KBPBESRZSA-N 291.347 1.391 0 50 CDAA O=C(Cn1ccc2ccccc21)N[C@H]1CCn2ccnc2C1 548639089 JNZJQNZSKXYUBB-AWEZNQCLSA-N 294.358 1.969 0 50 CDAA CCc1ncsc1C(=O)NC1(CC(=O)O)CCOCC1 663123203 UVUHQDWIKZLSOJ-UHFFFAOYSA-N 298.364 1.459 0 50 CDAA O=c1[nH]c2cccnc2n1-c1ccc2c(c1)OCO2 137306415 QPSXAAGDASBOCX-UHFFFAOYSA-N 255.233 1.443 0 50 CDAA CC[C@H]1CCCCN1C(=O)CN(C)[C@H](C)C(=O)O 251665247 HGCDNPMULLMWGT-MNOVXSKESA-N 256.346 1.182 0 50 CDAA C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1nnnn1C 252500791 TVKZXWPCHIQFIO-MRVPVSSYSA-N 270.296 1.182 0 50 CDAA CCn1ccnc1C(=O)N(C)[C@H]1CCCc2c1cnn2C 376632831 BCDABYXKEOJSOV-LBPRGKRZSA-N 287.367 1.786 0 50 CDAA CCc1ccccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704307970 OAYFUUICIOIFGW-ZFWWWQNUSA-N 288.391 1.652 0 50 CDAA O=C(O)[C@H](CO)NC(=O)C1(c2ccc(F)cc2)CCCC1 842050161 MHEMCBKCXQZROR-LBPRGKRZSA-N 295.310 1.199 0 50 CDAA Cc1nn(CC(=O)NCC(F)F)c2ncccc12 933890693 PYDIMZOWVAADFR-UHFFFAOYSA-N 254.240 1.121 0 50 CDAA O=C1NC[C@@H]2CN(c3ccncc3C(F)(F)F)CCN12 865594170 UHRSLGFFPCYMKI-MRVPVSSYSA-N 286.257 1.314 0 50 CDAA COc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 12623010 QZZSVYRAVUDVMQ-TXEJJXNPSA-N 278.352 1.743 0 50 CDAA CN1CC[C@@H](NCc2cccc(C(N)=O)c2)C12CCCC2 1875285555 QQGDQJQNLBJFTE-OAHLLOKOSA-N 287.407 1.892 0 50 CDAA Cc1nc(S(=O)(=O)Cc2ccn(C)c(=O)c2)cs1 1875281849 AHKABDPNMAKCBC-UHFFFAOYSA-N 284.362 1.124 0 50 CDAA COc1cccc([C@H](C)C(=O)N2C[C@H](CO)C[C@@H]2CO)c1 1875273543 IFNYRBCPOWNENS-OUCADQQQSA-N 293.363 1.000 0 50 CDAA C[C@H](NCc1cc[nH]n1)c1cnnn1-c1ccccc1 1875346625 JQIQIRHBFVHSTO-NSHDSACASA-N 268.324 1.841 0 50 CDAA CCC1(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)COC1 1875395172 PESLOFWMWLIYJT-VHSXEESVSA-N 293.367 1.588 0 50 CDAA CCOc1cc(N2CCC[C@@H]2c2ccc(N)nn2)ncn1 886086745 ZNYIPTWJHVXREE-LLVKDONJSA-N 286.339 1.589 0 50 CDAA C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CCOc2ccccc21 887051546 OMFRVDQQJQQETP-NHYWBVRUSA-N 274.320 1.079 0 50 CDAA Cc1ncoc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 888095014 JWXGWGRSCKIVIU-NWDGAFQWSA-N 290.323 1.446 0 50 CDAA C[C@H]1CN(c2cc(Cl)c3cnn(C)c3n2)CCO1 891651576 UABFIWZGTSEJHY-QMMMGPOBSA-N 266.732 1.847 0 50 CDAA CC(C)NC(=O)CCN[C@H]1CCCC[C@H]1c1ccnn1C 1775994791 DDVAOXREPBLFTA-KGLIPLIRSA-N 292.427 1.951 0 50 CDAA C[C@@H](NC(=O)c1ccccc1N1CCCC1=O)c1nc[nH]n1 1776002285 WMDXTRIHCCFTNC-SNVBAGLBSA-N 299.334 1.423 0 50 CDAA OC1(Cc2cn(C[C@H]3CCCCNC3)nn2)CCC1 899740376 GUCPMISPHGURSD-LBPRGKRZSA-N 264.373 1.125 0 50 CDAA COc1cccc(C(=O)N2[C@H]3CCNC[C@H]2CC3)c1 262279675 VJLPRBBJXVFICL-CHWSQXEVSA-N 260.337 1.662 0 50 CDAA CN1CCC(O)(CNC(=O)c2sccc2Cl)CC1 286129877 NZAIQTAEJHRTCJ-UHFFFAOYSA-N 288.800 1.588 0 50 CDAA Cn1cncc1C(=O)NC[C@@]1(O)CCCC1(C)C 294576578 XTNJTTVXYMUSPP-ZDUSSCGKSA-N 251.330 1.091 0 50 CDAA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1O 299872766 HBVZYCQWUQTTIK-KKOKHZNYSA-N 259.261 1.059 0 50 CDAA COc1ccccc1N(C)C(=O)[C@H](C)O[C@@H](C)C(=O)O 634864531 NTMIBABDEFMXIN-UWVGGRQHSA-N 281.308 1.536 0 50 CDAA CC(C)(C)n1cc(CN[C@@H](CO)c2ccsc2)nn1 359671533 GAWIXTVEINECNI-LBPRGKRZSA-N 280.397 1.918 0 50 CDAA Nc1ncc[nH]c1=NCc1ccc(OC(F)(F)F)cc1 2325728941 WIZWCDSTBHBUFR-UHFFFAOYSA-N 284.241 1.991 0 50 CDAA CSC1CCN(C(=O)Cn2nnc3ccccc32)CC1 1413400406 WSIZBMZNJDVPCL-UHFFFAOYSA-N 290.392 1.785 0 50 CDAA CCN(C[C@H](C)c1nn[nH]n1)C(=O)c1cc2cccn2cn1 2325808946 CCGHYUKESWZSKP-JTQLQIEISA-N 299.338 1.113 0 50 CDAA CC1(c2cc(C(=O)N3CC[C@@]4(C[C@@H]4C(=O)O)C3)no2)CC1 2325812707 AHGNGQCKWIUCGC-RFAUZJTJSA-N 290.319 1.663 0 50 CDAA OCc1cnn(Cc2nnc(-c3ccc(F)cc3)o2)c1 2325843347 CGEORSOFUGMDTL-UHFFFAOYSA-N 274.255 1.613 0 50 CDAA COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1OC 178510 ILHPIMUGIKGXDJ-UHFFFAOYSA-N 292.335 1.041 0 50 CDAA CCCc1cc(=O)oc2c(C)c(OCC(N)=O)ccc12 253041 SZQZZINOLVHVPD-UHFFFAOYSA-N 275.304 1.918 0 50 CDAA CCN(CC)CCOC(=O)COc1ccc(OC)cc1 2009578 CDOHBQBWALXALM-UHFFFAOYSA-N 281.352 1.959 0 50 CDAA O=C(Nc1cccc(C(F)(F)F)c1)C(=O)NC1CC1 2814023 LVOVTMAFCLOIDS-UHFFFAOYSA-N 272.226 1.923 0 50 CDAA C[C@@H](C(N)=O)N1CCC2(CC1)OCCc1sccc12 2356158529 NPMDMIFXVGUYRR-JTQLQIEISA-N 280.393 1.486 0 50 CDAA CC[C@@H](C(=O)N=c1cc[nH]c(C)c1OC)n1cccn1 2356166850 CBEQJFDHHVOMQF-LBPRGKRZSA-N 274.324 1.607 0 50 CDAA CCN(CC)CCn1nnc2c(=O)oc3ccccc3c21 4902851 IYKURIOGTBMJSX-UHFFFAOYSA-N 286.335 1.880 0 50 CDAA biogenic Cc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1 4942693 MYLLSTUHMGMJED-LLVKDONJSA-N 256.265 1.570 0 50 CDAA CCCCCNC(=O)c1ccccc1NS(C)(=O)=O 6244164 YNTJXKZFHIBYLE-UHFFFAOYSA-N 284.381 1.978 0 50 CDAA O=c1c(C(F)(F)F)cccn1Cc1nnnn1C1CC1 225501608 MACSUQDTZKDBQV-UHFFFAOYSA-N 285.229 1.237 0 50 CDAA CC(C)CC1(CNC(=O)COCc2nncn2C)CC1 342813249 PPAWVQKJELCBAG-UHFFFAOYSA-N 280.372 1.274 0 50 CDAA CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(C)o1 20542271 MTWOXHMRUFTHQO-KGLIPLIRSA-N 292.379 1.799 0 50 CDAA CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(Cc2cc[nH]n2)C1 343959474 AZUFMHHUHNYRPL-NEPJUHHUSA-N 288.355 1.367 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1CCOc1ccccc1OC 344375437 VWTXDBNYTRCGBO-UONOGXRCSA-N 295.379 1.810 0 50 CDAA CCCO[C@H]1CCCN(C(=O)CCn2cncn2)C1 67360367 NGLHAXGWLYIMFO-LBPRGKRZSA-N 266.345 1.086 0 50 CDAA CN(C(=O)[C@@H]1COCCN1CC1CCC1)C1CCC1 353510696 RZCXIFHGNYOEAN-AWEZNQCLSA-N 266.385 1.498 0 50 CDAA O=C(NC[C@H](CO)c1cccnc1)c1sccc1F 354994515 BJFIDDOGZCHJHW-SNVBAGLBSA-N 280.324 1.788 0 50 CDAA Cc1noc(C2CN(C(=O)c3cnccc3C)C2)n1 434381029 ZLASADPDGBACNZ-UHFFFAOYSA-N 258.281 1.321 0 50 CDAA CN1CCC[C@@H](NC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)C1 253132786 PRUAIVNBQJCEIR-JHJVBQTASA-N 297.399 1.271 0 50 CDAA O=C([C@H](O)c1ccc(Cl)cc1F)N1CCOCC1 253431887 VARPLHKBECVVNT-LLVKDONJSA-N 273.691 1.371 0 50 CDAA Cc1nc[nH]c1CN1CCC[C@H](C(=O)c2nccn2C)C1 77485543 CWYZIVIAKIQDNA-LBPRGKRZSA-N 287.367 1.547 0 50 CDAA CN(CC(F)(F)F)C(=O)N1CCC2(CC1)CNC(=O)C2 331705663 WZPPLWMCMWVUFF-UHFFFAOYSA-N 293.289 1.203 0 50 CDAA O=C(NC1(C(=O)O)CCCC1)[C@H](O)c1cccc(Cl)c1 217182398 BIOQCLRLJGIPBA-LLVKDONJSA-N 297.738 1.887 0 50 CDAA CCCN(CC(=O)O)S(=O)(=O)c1cc(C)cs1 263114600 GHHWZLDOEPUKLM-UHFFFAOYSA-N 277.367 1.542 0 50 CDAA Cc1cc(N2CCOC[C@@H]2c2nc[nH]n2)nc(C2CC2)n1 376434461 KXULQHSLCYHNPE-LLVKDONJSA-N 286.339 1.358 0 50 CDAA CN[C@H]1CCCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 261848358 XRWSQCIAKBIFRY-OLZOCXBDSA-N 293.415 1.048 0 50 CDAA Cc1csc(CCCNC(=O)[C@H](C)N(C)C)n1 78708210 ODSMHJQSBQWCEU-JTQLQIEISA-N 255.387 1.450 0 50 CDAA C[C@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)C(C)(F)F 454978233 OQCQBWXJQZUMBI-ZETCQYMHSA-N 270.283 1.941 0 50 CDAA CN1CCOc2ccc(C(=O)N3CC[C@@](F)(CO)C3)cc21 377250104 BGJHVTDOBOAGCH-HNNXBMFYSA-N 294.326 1.062 0 50 CDAA C[C@@H](C(=O)O)c1cccc(NC(=O)[C@H]2CCCO2)c1 262832979 BSSWHEPRDVOIEK-BXKDBHETSA-N 263.293 1.992 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)/C=C/c2c(F)cccc2F)C1 237951150 ASHBOQBRAURKCR-XNPJLODASA-N 281.258 1.911 0 50 CDAA CN(CCc1ccncc1)C(=O)COC[C@H]1CCCCO1 215632407 ZOEHPOSGLHQQEU-OAHLLOKOSA-N 292.379 1.668 0 50 CDAA O=C(N[C@@H]1CCC[C@H]1O)c1cnoc1-c1ccccc1 135438148 HGHMCBYVSGQWCE-CHWSQXEVSA-N 272.304 1.985 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)NC1(CO)Cc2ccccc2C1 335735379 FGOSLRHYCOKHEU-WFASDCNBSA-N 289.375 1.448 0 50 CDAA OC[C@H]1CCN(c2ccc(-c3ccccc3)nn2)C[C@@H]1O 72145642 LIOVCASSUHQMEV-HIFRSBDPSA-N 285.347 1.323 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)NC1(CO)Cc2ccccc2C1 336272758 YLSUBAQCBWCKHL-RISCZKNCSA-N 275.348 1.058 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1cc(C)c(OC)cc1C 41096302 RKPWHAIDANSGAK-LLVKDONJSA-N 287.381 1.361 0 50 CDAA Cc1cnn(C)c1CNc1ccc2c(c1)OCC(=O)N2 285403674 INWXFWORBQFFLX-UHFFFAOYSA-N 272.308 1.672 0 50 CDAA Cc1nc(CCNC(=O)NC[C@@H]2CCCN2)sc1C 426701760 XPRGKXAHEHUAPJ-NSHDSACASA-N 282.413 1.354 0 50 CDAA O=C1C[C@@H](c2cccc3nsnc23)C2=CNNC2=N1 198214147 SOXVVOZJSNEWEX-ZETCQYMHSA-N 271.305 1.095 0 50 CDAA CN(Cc1nccs1)C(=O)[C@@H]1CCc2nnn(C)c2C1 290474250 ZHNPEWWJGPCRAT-SECBINFHSA-N 291.380 1.035 0 50 CDAA C[C@]1(C(=O)O)CCCCN1C(=O)CCCN1CCCC1=O 426403482 KCUXIQIONHUAKC-OAHLLOKOSA-N 296.367 1.245 0 50 CDAA COc1ccc(F)cc1C(=O)NCc1ccncn1 223846339 SLKVFNHBYKIKLF-UHFFFAOYSA-N 261.256 1.554 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](CN)C1 178573154 BHEQMCGDGXCKAM-VHDGCEQUSA-N 258.365 1.906 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC(c2ncon2)CC1 426412723 PDDLVUCKVPMSGF-UHFFFAOYSA-N 289.339 1.522 0 50 CDAA COCc1cc(-c2ccc(S(C)(=O)=O)cc2)ncn1 97553152 OHVQBCREQWDTEH-UHFFFAOYSA-N 278.333 1.694 0 50 CDAA CC1(C)CN(CCC(=O)NC2CCCC2)C[C@]1(C)O 91304771 OJNMVVDUWGGWTC-HNNXBMFYSA-N 268.401 1.528 0 50 CDAA C[C@@H](C(=O)N1CC(c2ccncc2)C1)n1cccn1 426728339 WICAIVBZHCGKDA-NSHDSACASA-N 256.309 1.465 0 50 CDAA CCc1cnc(N(C)C[C@@H]2CCCN(CCO)C2)nc1 95387894 HERHICNBDHHHNK-AWEZNQCLSA-N 278.400 1.180 0 50 CDAA Cc1ccc2[nH]c(C(=O)NCC[C@H](O)C(=O)O)c(C)c2c1 95528387 FHFFKCNAFBFCPD-LBPRGKRZSA-N 290.319 1.350 0 50 CDAA CCN(CC)CC1(NC(=O)[C@H](C)n2ccnc2C)CC1 426511570 FEQUVORSKVQMEI-LBPRGKRZSA-N 278.400 1.743 0 50 CDAA O=C(NCc1cccc(-c2nnn[nH]2)c1)[C@H]1CCCCO1 95143724 XCQMUNSMFMRWCF-GFCCVEGCSA-N 287.323 1.052 0 50 CDAA C1CC(c2nnc(NCc3nnc4n3CCC4)o2)C1 95388077 SBTCTNSOAAMKSV-UHFFFAOYSA-N 260.301 1.487 0 50 CDAA CC(C)(C)OC(=O)N1[C@@H]2COC[C@H]1C[C@@H](CC(=O)O)C2 238790023 NBKLDQPKXKJHSL-RTCCRHLQSA-N 285.340 1.876 0 50 CDAA c1cc(N2CCC(N3CCSCC3)CC2)ncn1 95364658 MJTFVBMWGRJTAV-UHFFFAOYSA-N 264.398 1.494 0 50 CDAA Cn1cncc1CNCCc1ccc2c(c1)OCO2 237930675 RXQKKOQMJLVJHX-UHFFFAOYSA-N 259.309 1.481 0 50 CDAA COc1ccc([C@]2(C(=O)NCCCO)CC2(C)C)cc1 97759165 ZOLICBNFNRHYAT-INIZCTEOSA-N 277.364 1.862 0 50 CDAA CNCC(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1 299739502 PKDZGVWNVDQEIN-ZIAGYGMSSA-N 267.417 1.319 0 50 CDAA Cc1nn([C@H]2CC(=O)[C@H]3OC[C@H]2O3)c(=S)s1 254489063 QMKPZJRWARXWIR-ARDNSNSESA-N 258.324 1.238 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N2CCCN(C)CC2)cc1C 252490301 KONFDCRIDVGPBC-UHFFFAOYSA-N 296.436 1.938 0 50 CDAA CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1cc[nH]c(=O)c1 184824062 NCHOLGHJIJGCBA-QWHCGFSZSA-N 278.352 1.698 0 50 CDAA O=C(NCc1cc(C2CC2)on1)c1cc2ncccn2n1 534592752 YFDZLVMCHMLLCA-UHFFFAOYSA-N 283.291 1.525 0 50 CDAA COCC(C)(C)CNC(=O)CC[C@@H](C)N1CCN(C)CC1 534649975 ALUXVEPPHCBEPU-CQSZACIVSA-N 299.459 1.191 0 50 CDAA CO[C@@H]1CCN(CC(=O)NCCc2ccc(Cl)cc2)C1 361372484 ODPOCBNBKFRGJR-CQSZACIVSA-N 296.798 1.719 0 50 CDAA Cc1ccc(C)c(CC(=O)N2CCN3C(=O)OC[C@@H]3C2)c1 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CC(C)C[C@@H](NC(=O)Cc1cccnc1)c1ncnn1C 67872824 VUAUMMBKQNGODI-CYBMUJFWSA-N 287.367 1.656 0 50 CDAA C[C@@]1(C(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@@H]1F 424594024 QAKGSMQQIGHSGD-XJKSGUPXSA-N 290.338 1.943 0 50 CDAA CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)O)[C@H]3C1=O 335521 XQUKRSXQGQAECI-XJIUQZFPSA-N 299.326 1.620 0 50 CDAA CCCC[C@@H]1C=CCN1C(=O)Cn1ccc(=O)cc1 71753722 KDRUNSIIGQHFNX-CYBMUJFWSA-N 260.337 1.806 0 50 CDAA Cc1nc([C@H]2CN(c3noc(C(C)(C)C)n3)CCO2)no1 253419534 OQALGWCBYTWIDR-SECBINFHSA-N 293.327 1.636 0 50 CDAA CC(C)c1nccn1CCCNC(=O)c1cn[nH]c1 215019042 JYMJPEDJUJRWTH-UHFFFAOYSA-N 261.329 1.550 0 50 CDAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1CCCN1 153560632 GLUXHDHYSWHQBV-RYUDHWBXSA-N 268.744 1.242 0 50 CDAA O=C1N[C@H]([C@@H]2CCCOC2)C(=O)N1C[C@@H]1CCCSC1 332826869 LEHFFSVRNMXDIC-QJPTWQEYSA-N 298.408 1.477 0 50 CDAA CCC(CC)n1nccc1C(=O)N1CCO[C@H](C(=O)O)C1 236733804 QPFISEHNNNLHDK-LBPRGKRZSA-N 295.339 1.170 0 50 CDAA COCCn1ccnc1CN(C)[C@H](C)c1ccon1 215992405 QRTALCIYLIXNSE-LLVKDONJSA-N 264.329 1.711 0 50 CDAA O=C(c1ccc(-c2ncon2)cc1)N1CC[C@](O)(C2CC2)C1 366917837 QUSIAEDUNVBHME-MRXNPFEDSA-N 299.330 1.724 0 50 CDAA O=c1c2sccc2ncn1CCN1CCCC[C@@H]1CO 32565462 WBNZTLBIKSPPHX-LLVKDONJSA-N 293.392 1.305 0 50 CDAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1cc(Cl)nc(N)n1 241644330 PPYLPWSHLVVYRC-YIZRAAEISA-N 295.774 1.335 0 50 CDAA COCCN(Cc1ccncc1)C(=O)[C@@H]1CCOC1 216476269 MIPYLNVLMNWWID-CYBMUJFWSA-N 264.325 1.093 0 50 CDAA O=C(c1ccc2c(c1)OCCO2)N1C[C@@H](F)C[C@H]1CO 368418180 CTEJIUCKMRICHP-QWRGUYRKSA-N 281.283 1.003 0 50 CDAA C[C@@H]1C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CN1C1CC1 237588752 PKOMXYJDQCCKOO-INWMFGNUSA-N 287.407 1.298 0 50 CDAA COc1csc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1 128863540 WFQIWBUFIWVTPV-RKDXNWHRSA-N 254.355 1.579 0 50 CDAA COC(=O)c1[nH]c(C)c(C(=O)NN2CCCCC2=O)c1C 156378855 DQLYEGSIJJPFDT-UHFFFAOYSA-N 293.323 1.075 0 50 CDAA C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)O 33443330 XUGLZRLZWKAKGQ-GFCCVEGCSA-N 290.363 1.875 0 50 CDAA CC[C@H](C)N1CCN(C(=O)/C=C/CN(C)C)CC1 493590337 UHLRJMCWHNHYBI-YBJDMEARSA-N 253.390 1.047 0 50 CDAA Cc1cc(C)c(C(=O)N2CC[C@](F)(C(=O)O)C2)o1 262738032 IWJQVCIIGCLTTK-GFCCVEGCSA-N 255.245 1.535 0 50 CDAA CC(C)CC(C)(C)C(=O)N1CCN([C@@H]2CCNC2)CC1 377535800 MJNLTXLIINWPOB-CQSZACIVSA-N 281.444 1.565 0 50 CDAA Cc1ccnc(C[C@@H](C)N(C)C(=O)Cc2nonc2C)c1 221313493 OYPRQZACGSVFEK-LLVKDONJSA-N 288.351 1.714 0 50 CDAA COCCN1C[C@H](Cc2cccc(CO)c2)CC1=O 223857387 MPPIWJZKHXTESE-CQSZACIVSA-N 263.337 1.216 0 50 CDAA COC(=O)N1CCN(C(=O)CCc2scnc2C)CC1 82146107 OSSGZZXESSUKME-UHFFFAOYSA-N 297.380 1.295 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)CCn1cncn1 220174941 OBSGONABXFAQEV-GFCCVEGCSA-N 273.340 1.119 0 50 CDAA CCc1cc(C(=O)NC[C@@H](C)C(=O)O)oc1CC 192883391 CXENOLRHRYYDIN-MRVPVSSYSA-N 253.298 1.855 0 50 CDAA Cc1cc(NC(=O)Cn2ccnc2C)n(-c2ccccn2)n1 48282123 FFNXLVOLNOUINN-UHFFFAOYSA-N 296.334 1.719 0 50 CDAA O=C(c1ccccn1)[C@H]1CCCN(c2ncncn2)C1 222964077 HADBCQXVZXFEQM-NSHDSACASA-N 269.308 1.366 0 50 CDAA COCCn1cnnc1[C@@H](C)NC(=O)c1cc(C)oc1C 222415351 GNKJWAKQQOSUMT-SNVBAGLBSA-N 292.339 1.625 0 50 CDAA COCc1cc(CNC(=O)Nc2cnn(C(C)C)c2)[nH]n1 426518408 VYARFFNYCJFSHL-UHFFFAOYSA-N 292.343 1.655 0 50 CDAA O=C(O)[C@H]1[C@@H](C(=O)N2CCCCCC2)[C@H]2C=C[C@H]1C2 221609333 BCXDAYVGRBLLJD-ZDEQEGDKSA-N 263.337 1.912 0 50 CDAA O=C(CC[C@@H]1CCNC1)Nc1ccc(-n2ccnc2)nc1 134496327 XFBKQXUVRKJGAC-GFCCVEGCSA-N 285.351 1.596 0 50 CDAA Cc1cncn1C1CCN(C(=O)[C@@H](O)C2CC2)CC1 613608802 KREYWEZTUNZGKX-ZDUSSCGKSA-N 263.341 1.126 0 50 CDAA CN1C(=O)C[C@@H](CNC(=O)c2cnco2)c2ccccc21 221270398 ORTQHARXKWRSLD-JTQLQIEISA-N 285.303 1.555 0 50 CDAA C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@@H](N)C1 237360875 CMIHSVIIUVJQBN-CMPLNLGQSA-N 250.317 1.564 0 50 CDAA Cc1nc(CNC(=O)N(C)CCC[C@@H]2CCCO2)n[nH]1 426693824 RPCMMMPHVDOAEH-LLVKDONJSA-N 281.360 1.214 0 50 CDAA COc1cccc(Cn2nc(Cn3cncn3)nc2C)c1 91713116 KMTPFJHEKJKZKJ-UHFFFAOYSA-N 284.323 1.283 0 50 CDAA CCc1ncc(C(=O)N2CC(c3ccccn3)C2)cn1 97660658 QVWNDMMJSIVGST-UHFFFAOYSA-N 268.320 1.674 0 50 CDAA O=C(NCC1CCN(CCO)CC1)c1ccncc1Cl 330488511 KDSVPVOFJROPFY-UHFFFAOYSA-N 297.786 1.169 0 50 CDAA CCc1cc(N2CCCO[C@H](Cn3cccn3)C2)ncn1 95352016 NDBDJEGIBYFDSY-AWEZNQCLSA-N 287.367 1.531 0 50 CDAA Cc1cnn(CCCn2ncn3cccc3c2=O)c1 95386608 ZJXCZTSQJPMZKY-UHFFFAOYSA-N 257.297 1.091 0 50 CDAA CCc1cnc(CNC(=O)c2cncnc2C2CC2)o1 622518827 IZRUHEFPEDVTRE-UHFFFAOYSA-N 272.308 1.834 0 50 CDAA COC(=O)c1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2 259923035 FLWATAIFHPZVOT-UHFFFAOYSA-N 281.312 1.420 0 50 CDAA CC(C)Cc1noc(CNC(=O)c2nn(C)cc2Cl)n1 534580314 SCZHEDDONPPDBG-UHFFFAOYSA-N 297.746 1.585 0 50 CDAA COCc1noc(CN[C@@H](C)Cn2nc(C)cc2C)n1 534577733 WSFRCSGJZUUPSO-JTQLQIEISA-N 279.344 1.208 0 50 CDAA CCn1cnc(NC(=O)Cc2cc(C)nc(C)c2)n1 1940193706 MRFOJSNWRNLFDL-UHFFFAOYSA-N 259.313 1.491 0 50 CDAA COc1ccc(C(=O)Nc2cnn(C(C)C)n2)c(OC)n1 1940195792 MTLYTXQUAHEBBP-UHFFFAOYSA-N 291.311 1.524 0 50 CDAA Cc1nc2ccccc2n1CC(=O)N[C@@H](C)Cn1cncn1 299273655 WAJSZJHKYQSMMO-NSHDSACASA-N 298.350 1.141 0 50 CDAA C[C@H]1C[C@]2(CCCN(C(=O)OC(C)(C)C)C2)NC1=O 725255736 KRMCJNVMISNYFB-HZMBPMFUSA-N 268.357 1.912 0 50 CDAA CC(C)C1=NO[C@H](C(=O)NCCNc2cccnc2)C1 827792027 XTTMQQXYVJMRIZ-ZDUSSCGKSA-N 276.340 1.411 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2ccc3nnnn3c2)cs1 584884075 INZCLOSYNPYFSW-ZETCQYMHSA-N 288.336 1.380 0 50 CDAA COCCCn1cnnc1CNC(=O)Cc1cccs1 584897227 ZALTWJVTXRQXNS-UHFFFAOYSA-N 294.380 1.235 0 50 CDAA CCc1nccn1CCC(=O)NCc1cc(C2CC2)n[nH]1 584887575 ANTXRYOVKYVXIK-UHFFFAOYSA-N 287.367 1.753 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N2C[C@H]3CCC[C@]3(N)C2)c1 1579822412 DVIJCGXYZQHIJZ-CJNGLKHVSA-N 299.378 1.080 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)c2oc(C)nc2C)C1(C)C 170090056 IIBYKLWHPKLWGZ-ABAIWWIYSA-N 296.367 1.587 0 50 CDAA O=C(N1CC[C@@H](Cc2ccccc2)C1)C1(O)CCC1 273258293 SSAHUVZBPYOSJP-AWEZNQCLSA-N 259.349 1.993 0 50 CDAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1ncccn1 275548480 NDLKRXXEXXIMHT-CMPLNLGQSA-N 259.313 1.400 0 50 CDAA O=C(NCCN1CCCCC1)Nc1cnns1 170612388 ARHQBUYPSWXCSJ-UHFFFAOYSA-N 255.347 1.146 0 50 CDAA C[C@@H](c1nnnn1C1CC1)N(C)CCc1ccccn1 170611953 HMGDWNQOCLQPJY-NSHDSACASA-N 272.356 1.639 0 50 CDAA CC(C)Cn1cc(C(=O)NCc2nnc(S)o2)cn1 170614255 PUHXJNXRLBXUBY-UHFFFAOYSA-N 281.341 1.141 0 50 CDAA O=C(NCc1nnc(S)n1C1CC1)[C@H]1C[C@H]1C1CC1 170655869 IUCVKKJLYFNLGL-UWVGGRQHSA-N 278.381 1.564 0 50 CDAA NS(=O)(=O)c1ccccc1N1CC[C@H]([C@H]2CCOC2)C1 631176573 AZXHSFONSBOGMH-RYUDHWBXSA-N 296.392 1.197 0 50 CDAA Cc1cc(CNc2nccc(N3CCOCC3)n2)no1 675720605 DCMZDNUDLQZQJZ-UHFFFAOYSA-N 275.312 1.222 0 50 CDAA C/C(=C\C(=O)N(C)CCN(C)C1CC1)c1cnccn1 585086771 FXMZDKPLPZQDQU-ZRDIBKRKSA-N 274.368 1.433 0 50 CDAA CC(=O)NC1(c2nc(C(C)C)no2)CCOCC1 585114003 VQAHWPWVRLCLHR-UHFFFAOYSA-N 253.302 1.335 0 50 CDAA CO[C@H](CNCCc1ccncc1C)C1CCOCC1 585116602 CHWQMXIPFQOYDZ-MRXNPFEDSA-N 278.396 1.964 0 50 CDAA CCCC(O)(CCC)CC(=O)N1CCCNC(=O)[C@@H]1C 188098762 BLRUKWWGWPGQQA-LBPRGKRZSA-N 284.400 1.445 0 50 CDAA O=C(NCc1ccccc1OC1CCC1)[C@H]1C[C@H](F)CN1 188599409 FWXLDUUPLCCIBN-GXTWGEPZSA-N 292.354 1.934 0 50 CDAA CC(C)c1noc(CCNC(=O)N2C[C@@H](C)[C@H](CO)C2)n1 188788729 PGXHNIZHIMPCOM-MNOVXSKESA-N 296.371 1.005 0 50 CDAA COCCn1cc(NC(=O)[C@@H]2CCCO[C@H]2C)cn1 188926999 MNRSFZIRBMBTSL-CMPLNLGQSA-N 267.329 1.283 0 50 CDAA Cn1cc(-c2csc(NC(=O)C(C)(C)CN)n2)cn1 564939453 AYDUQGAXYLIGRE-UHFFFAOYSA-N 279.369 1.467 0 50 CDAA CN(CC[C@@H]1CCCCN1C)C(=O)C1(C(=O)O)CC=CC1 663061386 GZGKWZICYXCJLJ-ZDUSSCGKSA-N 294.395 1.740 0 50 CDAA C=CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 749408206 FCBQTPICMHAJDO-UHFFFAOYSA-N 272.348 1.727 0 50 CDAA C[C@@H]1CCN(C(=O)CC[C@H](N)c2ccccc2)C[C@H]1CN 579932243 ABNHRXCXWCBLES-BMFZPTHFSA-N 289.423 1.910 0 50 CDAA Cc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 18323170 NPILUBFPJSFHAY-SECBINFHSA-N 263.322 1.490 0 50 CDAA Cn1nc(C2CC2)nc1CN[C@@]12CCC[C@H]1NCC2 1615058612 PCTZHLJHBXTYKX-BXUZGUMPSA-N 261.373 1.067 0 50 CDAA COCC1(NC(=O)c2ccc(N(C)C)cc2)CCOCC1 1615590439 NGNNWDGEWDYHPD-UHFFFAOYSA-N 292.379 1.678 0 50 CDAA CC[C@@H](C(=O)NCc1nc(C)no1)C1(O)CCCCC1 1615587240 WAUVXQZOAQCJBT-NSHDSACASA-N 281.356 1.716 0 50 CDAA CC(C)(C(=O)O)C(=O)N1CCC(C(C)(F)F)CC1 1875287601 QLJBWHPXJZBLFB-UHFFFAOYSA-N 263.284 1.991 0 50 CDAA Cc1cnc2c(C(=O)Nc3cnn4c3NCCC4)cnn2c1 1506418436 HYQJNGFKQKQKNR-UHFFFAOYSA-N 297.322 1.302 0 50 CDAA CC[C@H]1CN(CCn2cnnc2C)CCN1C(C)C 1506398894 ZJTXINQWRKRCCW-AWEZNQCLSA-N 265.405 1.391 0 50 CDAA Cn1cnc2c1c(=O)n(C/C=C/c1ccccc1)c(=O)n2C 93654 JRYRALKJGZYKHM-RMKNXTFCSA-N 296.330 1.147 0 50 CDAA biogenic CCc1ncnc(N(CC)CCN2CCOCC2)c1F 1529171781 BGOMFBAGTLRJGZ-UHFFFAOYSA-N 282.363 1.337 0 50 CDAA O=C(N[C@H]1CCCCCC[C@@H]1O)c1cscn1 1857675020 HZYQJCAQTSIEIX-ONGXEEELSA-N 254.355 1.957 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)c(C)s1 209471464 TXVQXKPLJTXTDO-MNOVXSKESA-N 286.422 1.347 0 50 CDAA Cc1cc(CO)oc1C(=O)NC1(C)CCOCC1 407994696 CBTDFRJKGSUPOO-UHFFFAOYSA-N 253.298 1.379 0 50 CDAA CC[C@@H](C)OCC(=O)N1CCC(CC(=O)OC)CC1 337464415 RIWCPDQZRZTPKW-LLVKDONJSA-N 271.357 1.603 0 50 CDAA Cc1cccc(C)c1NC(=O)N1C[C@@H]2CNC[C@]2(CO)C1 1772702052 QHDSSKOELDLMFT-XJKSGUPXSA-N 289.379 1.349 0 50 CDAA CN(C[C@H]1CCC(=O)N(C)C1)CC1(CO)CCCC1 1775979563 WVWMDHRRNIECAY-CYBMUJFWSA-N 268.401 1.339 0 50 CDAA CN(C(=O)c1cccs1)[C@]1(C)CCS(=O)(=O)C1 5014298 PHHCUJPKGOSLCU-LLVKDONJSA-N 273.379 1.397 0 50 CDAA CCOc1ccc(Cl)cc1S(=O)(=O)N(C)C 11613797 HVWSVFBCVJMEJN-UHFFFAOYSA-N 263.746 1.989 0 50 CDAA COCCCNC(=O)c1cn(Cc2ccccc2F)nn1 12297483 LCZRNIZKFBFJEY-UHFFFAOYSA-N 292.314 1.232 0 50 CDAA CCOc1cccc(C(=O)NC2CCN(C)CC2)c1 16606062 LYVKJNOOEJKELL-UHFFFAOYSA-N 262.353 1.909 0 50 CDAA NC[C@@H](Cc1cccc(Br)c1)C(=O)O 16696850 XHOJQDSCSICOOX-MRVPVSSYSA-N 258.115 1.651 0 50 CDAA COc1c2c(cc3c1[C@H](CC(C)=O)N(C)CC3)OCO2 19701720 NUSQKVCQWJLSEH-NSHDSACASA-N 277.320 1.932 0 50 CDAA biogenic CCCN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 19789556 BHUONWUMGUNRAG-HNNXBMFYSA-N 290.363 1.381 0 50 CDAA Cc1cn2nnc(C(=O)NCC3CCCCC3)c2c(=O)[nH]1 169768998 JTQUOMJEQMPRMP-UHFFFAOYSA-N 289.339 1.036 0 50 CDAA COC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2CC=CCC2)C1 157862731 MMQPLULLCAURAK-QWHCGFSZSA-N 280.368 1.937 0 50 CDAA O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(C2CCCCC2)C1 2941048 AKDODHQNUBLKDI-TZMCWYRMSA-N 294.395 1.463 0 50 CDAA COc1ccccc1NC(=O)C(=O)NCc1ccccn1 2897865 XLUPFHYDRAMGJK-UHFFFAOYSA-N 285.303 1.345 0 50 CDAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cccc2c1OCO2 649453031 PHQCNERJWXASMX-DVVUODLYSA-N 289.287 1.493 0 50 CDAA C[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)C[C@@H](C)O1 129885375 CIYSERMVKMXICP-AOOOYVTPSA-N 289.335 1.116 0 50 CDAA CO[C@@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)C(C)C 241515559 OGGZAPLGCHVVEM-NEPJUHHUSA-N 295.387 1.333 0 50 CDAA CNC(=O)C[C@H](C)NC(=O)c1ccc(C)c2c1CCC2 456470468 WOKJGVPFMAKSDR-NSHDSACASA-N 274.364 1.738 0 50 CDAA C[C@@H]1CN(C(=O)c2cccn2Cc2ccccc2)CC(=O)N1 386973955 HCRKKBPFDFFLLY-CYBMUJFWSA-N 297.358 1.497 0 50 CDAA O=C(O)[C@]12C[C@H]1CCCN2Cc1nnc2n1CCCCC2 903935207 HFYOBDUEXYSTHO-ABAIWWIYSA-N 290.367 1.444 0 50 CDAA O=C(O)[C@H]1CCN1S(=O)(=O)c1cc2ccccc2o1 812447019 FDPVLLHCLODWES-SECBINFHSA-N 281.289 1.280 0 50 CDAA CCN1CCN(C[C@H](O)COCc2ccccc2)CC1 19790728 JLCAHOLJNZHZOZ-INIZCTEOSA-N 278.396 1.202 0 50 CDAA CCCS(=O)(=O)N1CCN(Cc2ccco2)CC1 19842769 VAZXZUYWSCAMOQ-UHFFFAOYSA-N 272.370 1.137 0 50 CDAA CCc1ccc(-c2noc(CCCS(N)(=O)=O)n2)cc1 952877150 LYPOSBXGYZDDAA-UHFFFAOYSA-N 295.364 1.520 0 50 CDAA Cc1cccc(F)c1CNC[C@H](O)c1cnn(C)c1 1875284937 WMHXYQSWVAMEDO-AWEZNQCLSA-N 263.316 1.691 0 50 CDAA C[C@]1(C(=O)N[C@H](Cc2ccccc2O)C(=O)O)CC1(F)F 1875393839 MXAOKRRHVBFWNW-NOZJJQNGSA-N 299.273 1.549 0 50 CDAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CS1 1875300892 VCZGSLNNHPJDBK-IIRVCBMXSA-N 281.377 1.664 0 50 CDAA C=CC(=O)N[C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 1875376249 PZEXAGTXHVJZMK-BBRMVZONSA-N 274.364 1.751 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCc1ncccc1Cl 1875367492 HTFRIPLWLRMJKY-UHFFFAOYSA-N 281.743 1.386 0 50 CDAA Cc1cc(CNc2nc(C)nc3c2cnn3C)cc(O)n1 894240175 WEOLFAREZBYIBP-UHFFFAOYSA-N 284.323 1.693 0 50 CDAA CC(C)(C)c1nc(C(=O)N=[S@@](C)(=O)CCO)cs1 1775999311 RPKCBAONSCIHSD-SFHVURJKSA-N 290.410 1.671 0 50 CDAA Cc1nn[nH]c1NC(=O)Nc1ccc2c(n1)CCC2 1775986716 PGFVMQYVSXDRIB-UHFFFAOYSA-N 258.285 1.641 0 50 CDAA CCc1cnc(N2CCN([C@H](C)C(=O)O)CC2)s1 262683496 XBAKSLRASAPLLW-SECBINFHSA-N 269.370 1.301 0 50 CDAA CO[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)O)C1)c1ccccc1 263172606 GEQLQZITMXKMQL-GRYCIOLGSA-N 263.293 1.354 0 50 CDAA CCNc1cc(C)nc(NCCNC(=O)C(C)(C)C)n1 67601936 BPUMFDUTZSLPMW-UHFFFAOYSA-N 279.388 1.791 0 50 CDAA CNC(=O)[C@@H](C)N(C)Cc1cccc(C(=O)OC)c1 67695042 WFDKSWJIMSMCNP-SNVBAGLBSA-N 264.325 1.040 0 50 CDAA Cn1c(CCN)nnc1SC[C@@H](O)c1ccccc1 426711484 PQGOLIQTLVOBGF-LLVKDONJSA-N 278.381 1.142 0 50 CDAA CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1 4727407 MDLOJMASXZWORL-GFCCVEGCSA-N 250.273 1.775 0 50 CDAA O=C(O)c1ccc(-c2n[nH]c(N3CCOCC3)n2)cc1 2100545457 WARRJQQZNMWDHZ-UHFFFAOYSA-N 274.280 1.007 0 50 CDAA Cn1ncc2ncc(C(=O)N3CC(c4ccncc4)C3)cc21 2100554917 HVGPCEOBXHEUHK-UHFFFAOYSA-N 293.330 1.603 0 50 CDAA O=C(Nc1ccc(Cl)cc1)N[C@@H]1CNCC[C@H]1O 299785778 MBGNAAHORSFJBJ-GHMZBOCLSA-N 269.732 1.184 0 50 CDAA CCC(CC)CNC(=O)c1ccnc2c1CNCC2 2325778366 VRZWTFNPYSDLKP-UHFFFAOYSA-N 261.369 1.893 0 50 CDAA COCC1(c2nc(-c3cc[nH]c4nccc3-4)no2)COC1 2325809761 IEEUZKQCNAHLDZ-UHFFFAOYSA-N 286.291 1.479 0 50 CDAA C[C@H]1CN(C(=O)c2cnnn2C2CC2)c2cccnc2O1 2325814577 RQBDZJUMOXWDFF-VIFPVBQESA-N 285.307 1.436 0 50 CDAA NNc1nc2ccccc2c(=O)n1-c1ccccc1 96509 VNBHFDXTDVKBRK-UHFFFAOYSA-N 252.277 1.671 0 50 CDAA CC(CO)(CO)NC(=O)Nc1ccc(Cl)c(Cl)c1 409034 YWKASOPZWNIOTO-UHFFFAOYSA-N 293.150 1.858 0 50 CDAA CCn1c2ccccc2n2c(SCC(=O)O)nnc12 609210 RAZCIDFHBWNBTF-UHFFFAOYSA-N 276.321 1.881 0 50 CDAA CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1 1070177 YTPYAEDROVEOLL-UHFFFAOYSA-N 264.281 1.476 0 50 CDAA C[C@H]1C[C@@H](C)C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1=O 2115567 YPHMISFOHDHNIV-LLHIFLOGSA-N 281.352 1.042 0 50 CDAA biogenic,in-vitro O=C(O)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 2520442 FBVNKQODFQWCAI-ZETCQYMHSA-N 257.648 1.917 0 50 CDAA CCOCCCNC(=O)c1ccc2c(c1)OCO2 2818815 FFPAFAKDJLEUSC-UHFFFAOYSA-N 251.282 1.572 0 50 CDAA C[C@@H](CC(=O)O)CC(=O)N1CCN(c2ccccc2)CC1 4677810 CGSVFBINEFTMFK-CYBMUJFWSA-N 290.363 1.836 0 50 CDAA CC[C@@H](C)NCc1ccc(OCC(N)=O)c(OC)c1 6743648 JMEHNMKTHHMAJV-SNVBAGLBSA-N 266.341 1.447 0 50 CDAA COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H](C)C1=O 55378730 IVBZCMSOGWPACW-YPMHNXCESA-N 261.321 1.497 0 50 CDAA C[C@@H]1CN(C(=O)N[C@H](C)CO[C@@H]2CCOC2)CC[C@H]1C 245859362 FDIFHRRKYOWKIX-AAVRWANBSA-N 284.400 1.868 0 50 CDAA Cc1cccc(N(CCCC(N)=O)S(C)(=O)=O)c1 8481269 NPIKQHVEHKUFCH-UHFFFAOYSA-N 270.354 1.027 0 50 CDAA Cn1cc(CNC(=O)Nc2cnc(C(C)(C)C)nc2)cn1 171318384 KXBFQVCTUHUEPL-UHFFFAOYSA-N 288.355 1.829 0 50 CDAA Cc1cnn(C[C@H]2CN(CCNC(C)(C)C)CCO2)c1 414696474 PKAAWTJXJPWQHS-CQSZACIVSA-N 280.416 1.280 0 50 CDAA COc1cccc(N(CCCC(=O)O)S(C)(=O)=O)c1 113879693 VLHRJALDCQRCHM-UHFFFAOYSA-N 287.337 1.326 0 50 CDAA CCCCN(Cc1ccco1)C(=O)CCc1n[nH]c(N)n1 55052986 KZMVNYUVTWWATK-UHFFFAOYSA-N 291.355 1.741 0 50 CDAA O=C(C1CCC1)N1CCCN(Cc2ncc[nH]2)CC1 65422268 JWXNYDXCKUOBAB-UHFFFAOYSA-N 262.357 1.244 0 50 CDAA Cc1cncc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 345840512 OBCLQKNRGOCGPS-XHSDSOJGSA-N 276.380 1.752 0 50 CDAA Cc1cccc([C@H](C(=O)N2CCC(N)CC2)N(C)C)c1 65404435 JRTRFGFAOQWPJA-OAHLLOKOSA-N 275.396 1.547 0 50 CDAA C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc(C(C)(C)C)on1 135696827 PHCILBVEJUMSNB-ZRNGKTOUSA-N 286.397 1.811 0 50 CDAA CC[C@H](Oc1ccccc1OC)C(=O)N1CCN(C)CC1 20018718 NFLIAOMNYPLLIN-ZDUSSCGKSA-N 292.379 1.627 0 50 CDAA c1ccc(CN(CCn2cccn2)[C@@H]2CCCNCC2)nc1 435619818 WRZHRQRUFHJFEB-QGZVFWFLSA-N 299.422 1.922 0 50 CDAA Cn1nccc1/C=C/C(=O)Nc1ccc(O)cc1F 119536583 QPXWRULOVOVCMZ-GORDUTHDSA-N 261.256 1.917 0 50 CDAA CCOc1cc(N2C[C@@H]3CCCN3C[C@@H]2C)ncn1 124649696 MJZDZZNIWDKGKD-RYUDHWBXSA-N 262.357 1.548 0 50 CDAA CC(C)(C)c1nc(CCNC(=O)[C@H]2CCNC2)cs1 423824286 KNOXVFYNOKADJU-JTQLQIEISA-N 281.425 1.709 0 50 CDAA CCn1c([C@H]2CCCNC2)nn(CCC=C(C)C)c1=O 67739814 ZPDFYVUHJKAOFY-ZDUSSCGKSA-N 278.400 1.888 0 50 CDAA Cc1ccc(S(=O)(=O)NCCCn2cncn2)cc1C 32498276 RJOGFWGPZIYANG-UHFFFAOYSA-N 294.380 1.264 0 50 CDAA Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 57493 VACCAVUAMIDAGB-UHFFFAOYSA-N 270.339 1.230 0 50 CDAA biogenic,world N=C(N)NCCc1c[nH]c2cccc(Br)c12 849084875 QUIPGSHZCOGPNJ-UHFFFAOYSA-N 281.157 1.956 0 50 CDAA O=C(C[C@@H]1C=CCC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 252507106 YJBVQZBEMNUPMY-RBSFLKMASA-N 278.396 1.400 0 50 CDAA CCn1ccc(C(=O)NCCc2ccc(F)cc2)cc1=O 216129744 DUZYQCMKABSADJ-UHFFFAOYSA-N 288.322 1.980 0 50 CDAA C[C@@H](O)C[C@@H]1COCCN1C(=O)Cc1ccc(Cl)cn1 354699450 QMDABUFUCJWTBS-ZWNOBZJWSA-N 298.770 1.276 0 50 CDAA C[C@@H](NC(=O)Cn1ccccc1=O)c1nc2ccccc2[nH]1 78952639 UUCIPEQTPRSSDG-LLVKDONJSA-N 296.330 1.602 0 50 CDAA CS[C@@H](C)CCN1CCN(Cc2noc(C)n2)CC1 215806244 IEZOPCMOPDTJGQ-NSHDSACASA-N 284.429 1.637 0 50 CDAA NCCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71757198 MLNRXEVXHAVJLK-KBAYOESNSA-N 299.418 1.424 0 50 CDAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 329452476 NHTZTBLLRFQUNH-RTXFEEFZSA-N 285.409 1.316 0 50 CDAA N[C@@H]1CC[C@@H](NC(=O)c2cccc(-c3ncc[nH]3)c2)C1 71405623 SWMFNGTZABULTQ-CHWSQXEVSA-N 270.336 1.686 0 50 CDAA CCOC1(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)CCCC1 253421719 KCBUFIZJSHAJIW-RYUDHWBXSA-N 287.425 1.704 0 50 CDAA C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[S@](=O)C1 253421105 QAFLDTKXGLQHIH-QPFGOUBPSA-N 267.341 1.505 0 50 CDAA Cc1cc(C)cc(C(=O)N[C@@H](CO)c2ccnn2C)c1 458149878 HJBLFLQNPAMWPI-ZDUSSCGKSA-N 273.336 1.500 0 50 CDAA CN1C[C@@H](NC(=O)c2cc(-c3ccccc3)on2)CCC1=O 150733424 KMWLWYGVWKGUQO-LBPRGKRZSA-N 299.330 1.692 0 50 CDAA O=C(CO)N1CCC[C@H](COc2ccc(F)cc2)C1 72409624 ISGBHUMVBQGYTC-NSHDSACASA-N 267.300 1.435 0 50 CDAA O=C(c1cc2nccnc2cc1F)N1CCO[C@@H](CF)C1 332513044 IVQROGIXIOGDOJ-VIFPVBQESA-N 293.273 1.579 0 50 CDAA O=C(N[C@@H](C(=O)O)C1CC1)c1ccnc(Br)c1 236449823 RKYGCABSEGHSKV-SECBINFHSA-N 299.124 1.437 0 50 CDAA COc1cc(C)sc1C(=O)N1C[C@@H](C)N[C@H](C)C1 154118030 GRHRFAMUMOUJIA-RKDXNWHRSA-N 268.382 1.888 0 50 CDAA CC(=O)N1CC(C(=O)N2CCC3(CCC3)CC2)C1 367827420 VSRFUWDEBDWNSG-UHFFFAOYSA-N 250.342 1.257 0 50 CDAA CCCCNC(=O)CN(C)C(=O)c1cc(C)nc(C)c1 216254618 KEGNZIGOXNXQMH-UHFFFAOYSA-N 277.368 1.687 0 50 CDAA Cc1cnn([C@@H](C)CNc2ncnc3c2c(C)nn3C)c1 72428504 QVSDWFNERSBQLO-JTQLQIEISA-N 285.355 1.850 0 50 CDAA C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)O)c1ccc(F)cc1 237595484 FQGUXDNBCNTZKH-MFKMUULPSA-N 294.326 1.552 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cccc(-n2cccn2)c1 237527465 YAPOEPIGQHDDSP-JSGCOSHPSA-N 284.363 1.824 0 50 CDAA O=C(c1cnc2ccc(F)cc2c1)N1C[C@@H](F)C[C@H]1CO 334248692 XXKJFXABYNUJDC-STQMWFEESA-N 292.285 1.919 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCOC1)c1ccc(F)cc1 262104640 JJABQMHUJFJMMW-YPMHNXCESA-N 295.310 1.884 0 50 CDAA O=C(Cn1ncc2ccccc21)N1CC(F)(F)C[C@@H]1CO 372504565 LGUWUOTWSBASMN-LLVKDONJSA-N 295.289 1.265 0 50 CDAA COc1cccc(CC(=O)NCCOCC(F)(F)F)n1 338751426 WPRTWZYRIRODOD-UHFFFAOYSA-N 292.257 1.328 0 50 CDAA O=C(N[C@@H]1CCOC2(CCSCC2)C1)C1CC1 334660481 AHCXTTBTPUSTQG-LLVKDONJSA-N 255.383 1.957 0 50 CDAA Cn1cncc1CNCC(=O)N1CCCc2ccccc21 237922937 RKRDRXSGTJACMM-UHFFFAOYSA-N 284.363 1.489 0 50 CDAA CCCc1n[nH]cc1C(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 72151393 URSNRASCTBHNKN-AWEZNQCLSA-N 292.339 1.029 0 50 CDAA O=C(O)CN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 238159355 KRVFUUFYDAEVLS-NSHDSACASA-N 265.284 1.805 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H]1CCCC(=O)C1 133972612 BVXOBOZFBWEAKK-WCBMZHEXSA-N 271.313 1.724 0 50 CDAA O=C(NC[C@@]1(O)CCCNCC1)Nc1ccccc1 72154735 PEGQZDCHPUIUCM-CQSZACIVSA-N 263.341 1.313 0 50 CDAA Cc1oncc1C(=O)NCCC12CCCN1CCC2 223678162 SKMSECDVBZZKOZ-UHFFFAOYSA-N 263.341 1.731 0 50 CDAA CSCc1noc(CNC(=O)c2cc(C(C)C)on2)n1 82160968 HNALBQPTLDOJDA-UHFFFAOYSA-N 296.352 1.974 0 50 CDAA COC(=O)Cn1nc(-c2ccc(SC)cc2)ccc1=O 44918931 KFYFYBDYXCBNII-UHFFFAOYSA-N 290.344 1.805 0 50 CDAA CCN1CCN(C(=O)c2ccc3c(c2)ncn3C)[C@@H](C)C1 288260066 FLQQAJXQDRXUPQ-LBPRGKRZSA-N 286.379 1.740 0 50 CDAA Cc1cnccc1NCCNC(=O)C(=O)c1cccnc1 221228957 COSUCZXCNKSPNQ-UHFFFAOYSA-N 284.319 1.196 0 50 CDAA Cc1ccc(C)c(N2CCN(C(=O)[C@@H](C)C(=O)O)CC2)c1 263561352 RUNARRJGDHTGRH-CYBMUJFWSA-N 290.363 1.673 0 50 CDAA O=C(CCCc1cccs1)NC[C@@H]1C[C@H](F)CN1 82133936 PEXHQXABOKOROW-QWRGUYRKSA-N 270.373 1.887 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1ncc(C)s1 225398836 PMQJTFGNHYBOOQ-LURJTMIESA-N 250.345 1.228 0 50 CDAA c1ccc(OCCN2CCN(C[C@@H]3CCOC3)CC2)cc1 47707359 CFJPNRMYYHXODX-INIZCTEOSA-N 290.407 1.720 0 50 CDAA CN(CCCN(C)c1cnn(C)c1)c1cnn(C)c1 177796824 PUSSANCCGGQPRF-UHFFFAOYSA-N 262.361 1.116 0 50 CDAA CC(=O)NCC(=O)N[C@@H](c1ccncc1)c1ccccc1C 221335830 NOJCXPAAKDNVSR-KRWDZBQOSA-N 297.358 1.732 0 50 CDAA CNCc1nnc(SCc2csc(C)n2)n1C 426414430 AZWDHNLFYSLDRZ-UHFFFAOYSA-N 269.399 1.592 0 50 CDAA O=C(Cc1cccnc1)NCCC12CCCN1CCC2 223768229 YVSNOMLXIMQQAQ-UHFFFAOYSA-N 273.380 1.759 0 50 CDAA Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)O)CC1 226087499 MOQMRUUXAWZSDP-UHFFFAOYSA-N 297.376 1.621 0 50 CDAA O=C(c1cncc(-c2cncnc2)n1)N1CCCC1 97773099 MARSJVGFLLLOSQ-UHFFFAOYSA-N 255.281 1.170 0 50 CDAA CCOCc1cc(CN(C)Cc2nnc[nH]2)ccc1OC 179790578 DHLSNXAZERXLER-UHFFFAOYSA-N 290.367 1.982 0 50 CDAA CCCC[C@H](CC(=O)O)NC(=O)c1cc(=O)cc(C)n1C 426383119 KCBQIIBZQXRWHB-LLVKDONJSA-N 294.351 1.457 0 50 CDAA Cc1cc(CC(=O)N2CCCC[C@H]2CCC(=O)O)no1 237593186 MBZCLUMLFMUAPQ-LBPRGKRZSA-N 280.324 1.771 0 50 CDAA Cc1nccn1CC1(CNC(=O)C[C@@H]2CCCN2C)CC1 97602242 XFWONAZNZHZHTJ-AWEZNQCLSA-N 290.411 1.572 0 50 CDAA CCO[C@@H](C)CN(C)c1nc(N)nc(C)c1CC 95377098 TZHKWIMWLWAUBP-VIFPVBQESA-N 252.362 1.791 0 50 CDAA CC(C)c1cc(C(=O)N(C)[C@@H](C)C(=O)N(C)C)n(C)n1 91445138 LOPXPAUDKOQYIX-JTQLQIEISA-N 280.372 1.092 0 50 CDAA CCOc1ccc(CN(C)CCNC)cc1CO 97773239 PXRJQAXIHGBMMM-UHFFFAOYSA-N 252.358 1.229 0 50 CDAA Cc1ccc(N2CCN(c3ncccc3C)CC2)nn1 96149839 KPIYWOMRPULKHJ-UHFFFAOYSA-N 269.352 1.815 0 50 CDAA O[C@H]1C[C@@H](c2cc(NCCc3ncc[nH]3)ncn2)C1 244673910 HXXBUASUZXPXCL-AOOOYVTPSA-N 259.313 1.093 0 50 CDAA Cc1nc(C(=O)NCC2(N(C)C)CCOCC2)cs1 244626535 FNNHKRHMXQCRFU-UHFFFAOYSA-N 283.397 1.292 0 50 CDAA O=C(Cn1cccn1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 248756100 JLCVRHMLKRBYTL-XHJNMGKDSA-N 259.353 1.824 0 50 CDAA CN(CC(=O)NCc1cccs1)Cc1cc[nH]n1 243892935 AMFYBEOWLFAXHA-UHFFFAOYSA-N 264.354 1.219 0 50 CDAA CC[C@H](C(=O)NCCCc1cnn(C)c1)n1cccn1 244724253 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LYZIWBDJUGFDRC-LBPRGKRZSA-N 279.336 1.862 0 50 CDAA NC(=O)c1ccc(-c2ccc(N3CCNCC3)cc2)cc1 200586788 DIURHXQLZIKKOA-UHFFFAOYSA-N 281.359 1.862 0 50 CDAA COC(=O)[C@@H]([C@H](C)O)N(C)C(=O)c1cccc(SC)c1 2325755025 WMUNLURLDXGNBW-JOYOIKCWSA-N 297.376 1.403 0 50 CDAA Cc1ccccc1C1=CCN(C(=O)C[C@@H]2COC[C@H]2O)C1 2325779764 ACZASLWPQMWTFJ-GDBMZVCRSA-N 287.359 1.618 0 50 CDAA COc1ccccc1[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](F)CN2)C1 2325786463 NDNCTTOUNNYTTQ-BYNQJWBRSA-N 292.354 1.757 0 50 CDAA Cc1cc(N2Cc3ncnc(O)c3C2)n2nc(C)cc2n1 2325812980 ZECNBQNXHWHBLX-UHFFFAOYSA-N 282.307 1.362 0 50 CDAA Cn1ncc2cc(CN[C@@H]3CCN(C4CC4)C3)cnc21 865451198 KKDLBWAWWGKSKU-CYBMUJFWSA-N 271.368 1.295 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cccnc2)S1 201310 JIMCLUSORBQODG-GFCCVEGCSA-N 278.337 1.257 0 50 CDAA CCCCOc1ccc(C(=O)NCC(=O)O)cc1 2106756 UCEXMJMSILZCHZ-UHFFFAOYSA-N 251.282 1.680 0 50 CDAA biogenic CSC[C@H](C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 341783346 NIZURDRSIKYAEZ-PTOFAABTSA-N 270.398 1.159 0 50 CDAA CCOc1ccc(C(=O)CCN[C@H](C(=O)O)[C@H](C)O)cc1 2922162 GQYQIBTUZZSYDH-HZMBPMFUSA-N 295.335 1.082 0 50 CDAA C[C@@H]1CCC[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O 3904010 MTPZXTRTBTYMHA-BPYAMOTFSA-N 259.305 1.832 0 50 CDAA CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccco1 4833926 SZPPQESDUZEIQS-ZRDIBKRKSA-N 270.288 1.797 0 50 CDAA CC(C)(CCN=c1[nH]cnc2[nH]ccc12)S(C)(=O)=O 413521154 OFBRRZLSNGNIBK-UHFFFAOYSA-N 282.369 1.005 0 50 CDAA N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 50242065 ZPYGTWZGQPKRPU-MRVPVSSYSA-N 278.736 1.201 0 50 CDAA COCCNC(=O)Nc1cc(OC)c(OC)c(OC)c1 9875759 SYUGIJQNEXXZCY-UHFFFAOYSA-N 284.312 1.480 0 50 CDAA CSCC[C@@H](NC(=O)Cc1cccs1)C(=O)O 22174432 ONIHSHMDBGLMBW-SECBINFHSA-N 273.379 1.613 0 50 CDAA CN(C)C(=O)N1CCC(c2nc([C@@H]3CCOC3)n[nH]2)CC1 102543837 CXOSXBFRRODXCL-LLVKDONJSA-N 293.371 1.170 0 50 CDAA CCNC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O 65362827 YTTXKHRXJVJVLT-NSHDSACASA-N 284.381 1.286 0 50 CDAA COC(=O)c1ncc2c(n1)CN(C(=O)OC(C)(C)C)C2 114494662 SFGJZWXBHBVJPV-UHFFFAOYSA-N 279.296 1.514 0 50 CDAA Cc1ccc(NC(=O)CN2C[C@H](C(=O)O)CC2=O)c(F)c1 65384725 ZJBMTEXUXSJNCL-SECBINFHSA-N 294.282 1.006 0 50 CDAA Cc1nc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)cs1 65397035 BENDUOGGGFFFBJ-AAEUAGOBSA-N 295.408 1.435 0 50 CDAA CC(C)N(CCC(N)=O)C(=O)C1C(C)(C)C1(C)C 67975461 RRYRLGSTKNQQFM-UHFFFAOYSA-N 254.374 1.781 0 50 CDAA O=C(Nc1nnc(C(F)(F)F)s1)c1cnsn1 119505022 XNDJIERFZACVRR-UHFFFAOYSA-N 281.244 1.661 0 50 CDAA CC(C)c1cc(C(=O)NCC[C@H]2CN(C)CCO2)no1 67447099 HJRGIMNNYNICKI-NSHDSACASA-N 281.356 1.249 0 50 CDAA CCn1c(C)nnc1SCCNc1cc(OC)ncn1 65495592 SMFCUGIKHVFGPX-UHFFFAOYSA-N 294.384 1.609 0 50 CDAA Cc1noc(C)c1CCS(=O)(=O)[C@@H]1CCOC1 330135734 MYAHKXPKMMSCKM-SNVBAGLBSA-N 259.327 1.038 0 50 CDAA CCSc1ncc(CN(C)Cc2ccn[nH]2)cn1 216424485 ORTJECNQEIDZOK-UHFFFAOYSA-N 263.370 1.944 0 50 CDAA CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2ccco2)C1 331455335 YJBYFXYTNYELCU-NEPJUHHUSA-N 262.313 1.370 0 50 CDAA O=C(Cc1ccc2n[nH]cc2c1)N1CCOCC12CC2 328708512 QLDSROBIJDVPNG-UHFFFAOYSA-N 271.320 1.497 0 50 CDAA CN1C[C@H](CNCc2ccnn2C)Cc2ccccc21 253433376 WFDOBDMUFSUYRW-ZDUSSCGKSA-N 270.380 1.818 0 50 CDAA Cc1[nH]cnc1CN1CCC[C@](O)(CN2CCCC2)C1 77505878 VYZKZZACHREVBV-HNNXBMFYSA-N 278.400 1.141 0 50 CDAA COC(=O)[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C 38777679 ROHLQPZIUYTLGR-SECBINFHSA-N 257.286 1.128 0 50 CDAA in-vitro CC(C)c1cc(C(=O)N2CCCC[C@H]2CN)nn1C 130970139 YDRJEWWOYKQFLL-NSHDSACASA-N 264.373 1.497 0 50 CDAA Nc1ccc(N2CCCC2=O)cc1N1CCCC1=O 30834327 CHYGOPFDCKJIPO-UHFFFAOYSA-N 259.309 1.522 0 50 CDAA c1cncc(N2CCN(C[C@H]3CCCNC3)CC2)c1 77301857 LEBOALCMFFTLIR-AWEZNQCLSA-N 260.385 1.203 0 50 CDAA CO[C@H](C)CN1CCn2c(nnc2-c2cccnc2)C1 363721826 VXOAHLFILXYWNE-LLVKDONJSA-N 273.340 1.191 0 50 CDAA Cc1cc2c(=O)n(C[C@@H]3COCCO3)cnc2s1 32541456 OCDYKROKUVTFSB-SECBINFHSA-N 266.322 1.182 0 50 CDAA O=C([C@H](O)C1CCCCC1)N1CC[C@@H](N2CCCC2)C1 363850710 DRFIGHDMHNBPNI-HUUCEWRRSA-N 280.412 1.624 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc([S@](C)=O)cc2)C[C@@H](C)N1 154196192 BBWRLDBXECEFOA-XCJKDKRRSA-N 280.393 1.246 0 50 CDAA COc1cc(F)c(C(=O)N2CCN[C@H](C)C2)cc1OC 155023952 OUDNINOMWHOSFI-SECBINFHSA-N 282.315 1.277 0 50 CDAA CCc1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)[nH]1 219322996 XZNTWIFBPZCRJJ-UHFFFAOYSA-N 298.390 1.930 0 50 CDAA Clc1ccc(CN2CCN([C@H]3CCNC3)CC2)s1 261572940 MCJDCWRUDHDDNS-NSHDSACASA-N 285.844 1.881 0 50 CDAA COCCNCC(=O)N1C[C@H](C)Oc2cc(F)ccc21 237154678 IOMQGNKLVBWLJT-JTQLQIEISA-N 282.315 1.176 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]1CCC[C@H]1N 237251835 LNDOYHDYCFNMPP-VXGBXAGGSA-N 286.379 1.659 0 50 CDAA C[C@H](COc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 237422461 PQGVNHYGAWMUTC-YPMHNXCESA-N 277.320 1.777 0 50 CDAA CC(C)Cn1cncc1CN1CCC[C@](O)(CN(C)C)C1 72156523 XQFGVEHKSRKDIX-INIZCTEOSA-N 294.443 1.428 0 50 CDAA O=C(N[C@H]1CCCNC1)N1CCC[C@H](C2CC2)C1 334932732 PSCUAOWUCFGGNE-STQMWFEESA-N 251.374 1.570 0 50 CDAA C[C@@H](c1ccon1)N(C)S(=O)(=O)NCc1ccccc1 71751493 DUXPHZJAQLIURZ-NSHDSACASA-N 295.364 1.702 0 50 CDAA C[C@@H]1CCCC[C@H]1OCCN1CCCC[C@H]1C(N)=O 242164651 WWSRHLHABOZBNO-HZSPNIEDSA-N 268.401 1.922 0 50 CDAA Cc1c(C(=O)N2CC(O)(C(F)F)C2)cnn1C(C)C 335539419 MOJIYXLOHPCNNW-UHFFFAOYSA-N 273.283 1.224 0 50 CDAA CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nncs1 377514380 GDICXERHUKZMLG-NSHDSACASA-N 288.332 1.454 0 50 CDAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H]2CC(=O)O)n1 262908361 JHFZDWSQRIUWPY-QWHCGFSZSA-N 293.367 1.917 0 50 CDAA Cc1cccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c1C 284513226 FMIAWHOIAWDXAG-ZWNOBZJWSA-N 260.337 1.497 0 50 CDAA CNC(=O)[C@]1(C)CCN(C(=O)c2onc3c2CCCC3)C1 614363061 SZKIUHCZFKUNNM-OAHLLOKOSA-N 291.351 1.152 0 50 CDAA O=C(c1ccoc1Cl)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 286207228 JKJRKVUHLKFXQS-YUSALJHKSA-N 299.754 1.935 0 50 CDAA Cc1cc(CN(C)C(=O)CSCCN2CCCC2)on1 221221196 VKGZSHOFABGAOC-UHFFFAOYSA-N 297.424 1.770 0 50 CDAA O=C(NCCn1cc(Cl)cn1)[C@@H](O)c1ccc(F)cc1 222992267 KCDXBFCSEGJVDX-LBPRGKRZSA-N 297.717 1.525 0 50 CDAA Cc1ocnc1-c1noc([C@H]2CN(C)C[C@@H](C)O2)n1 527545471 UMIYQIVVDFOWTO-VXNVDRBHSA-N 264.285 1.425 0 50 CDAA CCOCC1(CNC(=O)[C@H](C)n2ccnc2C)CC1 426661251 MQOBHKSJIAWCEF-NSHDSACASA-N 265.357 1.685 0 50 CDAA CC[C@@H](Oc1ccccc1C)C(=O)N1CC[C@H](CN)C1 178592154 BSLCTCMLORBGTD-ZIAGYGMSSA-N 276.380 1.960 0 50 CDAA NC[C@@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 178550219 KGCKVNZHWHMTHE-VIFPVBQESA-N 286.734 1.665 0 50 CDAA CC(C)n1nccc1C(=O)NCCc1cccn1C 426541577 SROOSRUBNUCRCS-UHFFFAOYSA-N 260.341 1.775 0 50 CDAA CC(C)c1cc(C(=O)NC2CCOCC2)nc2ncnn12 91876847 MEYJUIHHCRJUDA-UHFFFAOYSA-N 289.339 1.157 0 50 CDAA O=C1CC[C@@]2(CCOC2)CN1CCc1ccccn1 91643320 RBBYGTWPYJFUFV-OAHLLOKOSA-N 260.337 1.653 0 50 CDAA CN(CC1(CO)CCOCC1)c1cc(C2CC2)ncn1 91604700 BRWXNUIEAWXWEF-UHFFFAOYSA-N 277.368 1.579 0 50 CDAA COc1ccccc1N1CCN(C[C@H]2CCOC2)CC1=O 426428288 KYEYXMFZPPPRMO-CYBMUJFWSA-N 290.363 1.380 0 50 CDAA Cn1c(CN2CCC[C@](O)(CO)CC2)cc2ccccc21 97505437 VRVDPTFCPXCLFC-QGZVFWFLSA-N 288.391 1.888 0 50 CDAA Cc1nncn1CCn1sc2ccccc2c1=O 95354383 SAWCUEYTKZZYSX-UHFFFAOYSA-N 260.322 1.663 0 50 CDAA CNc1cc(C(=O)N2CC[C@](C)(O)[C@H](C)C2)ccn1 91997380 LCQALQBORULLDO-YGRLFVJLSA-N 263.341 1.356 0 50 CDAA CC(C)Cc1cc(Cn2cc(-c3nccn3C)nn2)on1 91943183 UCUUOXOZRNGLKS-UHFFFAOYSA-N 286.339 1.913 0 50 CDAA Cc1ccc2nc(Cn3ncn4cccc4c3=O)cn2c1 95361957 WRUSYXXJRMQUJV-UHFFFAOYSA-N 279.303 1.500 0 50 CDAA NC(=O)c1cccnc1C[C@@H]1COc2ccccc2C1 91625130 BMQSVQSFSRSDNE-LLVKDONJSA-N 268.316 1.974 0 50 CDAA COc1ccc(-c2nc3c([nH]2)CCCNC3=O)c(OC)c1 95386877 LFTBKLBRRSEFSX-UHFFFAOYSA-N 287.319 1.770 0 50 CDAA CNC[C@H]1CCCN(C(=O)[C@H](C)c2c(C)noc2C)C1 237304680 FWQMUKNNOSBFGJ-ZWNOBZJWSA-N 279.384 1.853 0 50 CDAA Cc1ccc2nc(CN3CCOC[C@@H]3CO)[nH]c2c1C 244701021 JYOVJTKBMVEJMN-LBPRGKRZSA-N 275.352 1.373 0 50 CDAA O[C@H](CN1CCCN(c2ncccn2)CC1)c1ccccc1 244758103 OSKPNSQTTVMOSD-MRXNPFEDSA-N 298.390 1.722 0 50 CDAA CCn1ccnc1CNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C 295701995 JAFFAUDGNNJHMH-AVGNSLFASA-N 278.400 1.781 0 50 CDAA CNC(=O)CN1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 296132805 ZDWOYBQWDCPQJY-CYBMUJFWSA-N 272.352 1.754 0 50 CDAA Cc1cc(NC(=O)c2ccc3c(c2)OCO3)nc(=O)[nH]1 181915834 BOMKHRYXJIGWJP-UHFFFAOYSA-N 273.248 1.059 0 50 CDAA O=C1CC[C@@H]2CN(C[C@H]3CCOC3)CC[C@@H]2N1C1CC1 343555451 XLWKOTKFGILDGQ-NFAWXSAZSA-N 278.396 1.498 0 50 CDAA Cc1[nH]ncc1CCCN[C@H]1CCCC[C@H]1S(C)(=O)=O 182329367 FKFNPUKLGNAEGM-UONOGXRCSA-N 299.440 1.596 0 50 CDAA CC[C@@H](C)c1cc(C(=O)N2CCOC[C@H]2C(=O)O)on1 299741945 ALCFDSUFEOWGTA-SCZZXKLOSA-N 282.296 1.114 0 50 CDAA CC(C)N(C)C(=O)C(=O)Nc1cccc(-n2ccnc2)c1 163345809 WZHIEDUECGSPLE-UHFFFAOYSA-N 286.335 1.678 0 50 CDAA CCn1ccc(C(=O)Nc2cccc(C(=O)NC)c2C)n1 520585179 HVBDFRZHLGAXKD-UHFFFAOYSA-N 286.335 1.823 0 50 CDAA NC(=O)Cc1csc(NC(=O)CCn2cccc2)n1 524732637 GEEAYNRLSZVMKX-UHFFFAOYSA-N 278.337 1.001 0 50 CDAA c1ccc(COCCC2(CNC3=NCCN3)CC2)cc1 184597132 BMHLKVHQXVQDPK-UHFFFAOYSA-N 273.380 1.922 0 50 CDAA CC(C)n1ccnc1CNC(=O)CCCn1cccn1 534634854 VMDCCZDYSRBLPS-UHFFFAOYSA-N 275.356 1.757 0 50 CDAA C[C@@]1(C(=O)NCCCc2nccs2)CCCO1 356895739 QMGGDFMWZUDGMK-LBPRGKRZSA-N 254.355 1.761 0 50 CDAA Cc1ccccc1[C@@H](CNc1cncc(C(N)=O)n1)N(C)C 534592699 DIEJXMWCZAMXID-CQSZACIVSA-N 299.378 1.599 0 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Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@@](C)(C(=O)O)C2)n1 262104216 CTTWOIDHNGBDHB-SWLSCSKDSA-N 293.367 1.774 0 50 CDAA CCC1(CC)[C@H](NC(=O)[C@H](N)C2CCOCC2)C[C@H]1OC 262117170 WBFAVGUESWCDPL-MGPQQGTHSA-N 298.427 1.450 0 50 CDAA Cc1nc(CCC(=O)N2CC(c3cccnc3)C2)n[nH]1 72151884 HYIPVDDAONCXFH-UHFFFAOYSA-N 271.324 1.067 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1Nc1cc(C2CC2)ncn1 219371913 CFESBKJAELIZEU-DRABBMOASA-N 275.352 1.816 0 50 CDAA CCc1nc(CN2CCC[C@H](OCC3CC3)C2)n[nH]1 375321325 UYUFASSTUYHENK-LBPRGKRZSA-N 264.373 1.758 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 238086875 WJLFKQTVBLBGPD-NEPJUHHUSA-N 289.331 1.876 0 50 CDAA COc1ccc(CN2CCNC(=O)C[C@H]2C)c(OC)c1 377887470 FRESGXSUMPUNCD-LLVKDONJSA-N 278.352 1.414 0 50 CDAA O=C(c1cc[nH]n1)N1CCCN(c2ccc(F)cc2)CC1 77456888 OXLMRZMDKDASCL-UHFFFAOYSA-N 288.326 1.901 0 50 CDAA CC(C)Oc1ccc(CCNC(=O)[C@H]2COC(=O)N2)cc1 495856482 FIYAXMNCYYADMK-CYBMUJFWSA-N 292.335 1.241 0 50 CDAA C[C@H]1CN(C)[C@H](C)CN1C(=O)C1Cc2ccccc2C1 336410511 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Cc1ccn2c(F)c(C(=O)NCCc3cn[nH]c3)nc2c1 426429096 SAXOCXBQRDNFPJ-UHFFFAOYSA-N 287.298 1.477 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)Cc2cccnc2)cc1 223544092 LTMCVXRDSPYVQU-UHFFFAOYSA-N 297.358 1.642 0 50 CDAA CC(=O)NC1CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 426726744 JKKYUPZWIWUJFT-GFCCVEGCSA-N 290.367 1.085 0 50 CDAA O=C(c1ccc([C@@H]2CCCNC2)cc1)N1CCOCC1 95353494 JZYYBNFHEBQXKX-OAHLLOKOSA-N 274.364 1.626 0 50 CDAA CCC[C@H](Nc1ncnc2nc(C)cc(C)c12)C(=O)NC 95355145 AHYNOZAXQGLWFP-NSHDSACASA-N 287.367 1.968 0 50 CDAA O=C1COc2cccnc2N1CCn1cnc2ccccc21 95360206 BAILAGJZVANQJU-UHFFFAOYSA-N 294.314 1.857 0 50 CDAA Cn1nc(I)c2cc(N)cnc21 95708162 VFHDTXLRRMAKIV-UHFFFAOYSA-N 274.065 1.155 0 50 CDAA O=C(O)c1ccc(C[C@@H]2CCN(CCCO)C2)cc1 91585773 NPXKOHRGJATTSE-ZDUSSCGKSA-N 263.337 1.632 0 50 CDAA CCC[C@@]1(CO)CCCN(CCCn2nnnc2C)C1 91656356 BROVNWILRZVPMK-CQSZACIVSA-N 281.404 1.246 0 50 CDAA COCC[C@@]1(C(=O)O)CCCN(C2CCOCC2)C1 92022863 YSUUIHLJRALEEX-AWEZNQCLSA-N 271.357 1.369 0 50 CDAA 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1.165 0 50 CDAA Cc1nc(C2CCN([C@@H](C)Cn3cccn3)CC2)n[nH]1 821746055 PFYOPNZNUXNGKS-NSHDSACASA-N 274.372 1.578 0 50 CDAA CSCc1nc(CCNC(=O)c2cc(N)n[nH]2)cs1 824919870 RHSVUTSMGPPRRV-UHFFFAOYSA-N 297.409 1.284 0 50 CDAA C[C@@H](C(=O)N1CCN(CC(F)(F)F)CC1)n1cccc1 820621498 NJQONRGBQAIBJC-NSHDSACASA-N 289.301 1.756 0 50 CDAA CC1(C)CC(CC(=O)N2CCC[C@H]2CO)CC(C)(C)N1 828784106 QTMQJBXDEHHVTN-ZDUSSCGKSA-N 282.428 1.917 0 50 CDAA CCN1CCN(C(=O)C2(COC)CCC2)CC1(C)C 584887404 MXRLWFWKIAWJDM-UHFFFAOYSA-N 268.401 1.746 0 50 CDAA COCCn1cncc1CNC(=O)c1n[nH]c2ccccc12 584889280 MVZPGAQKXBFQJC-UHFFFAOYSA-N 299.334 1.336 0 50 CDAA O=C1CC[C@@H](CN2CCCN(C(=O)c3ccoc3)CC2)O1 670437734 KAOXKRSGKAXPDC-ZDUSSCGKSA-N 292.335 1.133 0 50 CDAA O=C(C[C@@H]1CCOC1)NC1CCN(C2CCOCC2)CC1 670472383 FQBAHXZBEAMUGK-ZDUSSCGKSA-N 296.411 1.173 0 50 CDAA O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1C[C@H]2CCC[C@H]2C1 685939645 PBLKBKWJSOBAIQ-LJISPDSOSA-N 293.411 1.291 0 50 CDAA O=C1CCC2(CCN(CCn3cc(Cl)cn3)CC2)N1 243892344 AGNVOIXGIPGJFV-UHFFFAOYSA-N 282.775 1.281 0 50 CDAA Cc1c(S(=O)(=O)NC(=O)CC2=CCCCC2)cnn1C 408479882 GQUWMMLXSIAYTP-UHFFFAOYSA-N 297.380 1.424 0 50 CDAA CCOC[C@@H]1CCN(C(=O)c2cccc3nc(O)[nH]c23)C1 408518188 WKYJNGMYQSYQGW-SNVBAGLBSA-N 289.335 1.767 0 50 CDAA Cc1cc(C(C)C)nc(N2CCN(C(=O)N(C)C)CC2)n1 186015336 IKRYYYGZJIEXKU-UHFFFAOYSA-N 291.399 1.712 0 50 CDAA CO[C@H](C)CS(=O)(=O)Nc1cccc(C(=O)O)c1C 278705343 SJVLSRZYOBPDRF-MRVPVSSYSA-N 287.337 1.470 0 50 CDAA CN1C[C@H](NCc2cn(C)nc2C2CCCCC2)CC1=O 273124510 RXTPMMWIYQPWIT-CQSZACIVSA-N 290.411 1.788 0 50 CDAA Cc1ccc(S(N)(=O)=O)c(N2C[C@@H](C)[C@@](C)(CO)C2)c1 631373176 UUUZJTMPFRLPFT-BXUZGUMPSA-N 298.408 1.097 0 50 CDAA Cc1nn(C)cc1CN[C@H]1CCCO[C@@H]1c1nccn1C 275558737 NUJNMLSFMWURJC-KBPBESRZSA-N 289.383 1.472 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCc2c[nH]nc2C1 750793093 CASFGGSOPXXZQB-ZDUSSCGKSA-N 257.293 1.028 0 50 CDAA CC1CN(C(=O)Cc2nnc(-c3ccccc3)o2)C1 632767915 VYZBWYUXJLISKV-UHFFFAOYSA-N 257.293 1.757 0 50 CDAA O=C(c1cccc(Cn2ccnn2)c1)N1C[C@H]2COC[C@H]2C1 634773142 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CCn1c(CCN2C(=O)C[C@H]3NCC[C@H]32)nc2ccccc21 1857683434 TUPASUCWOOCXCP-UKRRQHHQSA-N 298.390 1.562 0 50 CDAA N[C@H](CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 237964778 LIONXARLQBUDBF-YPAMNDHTSA-N 287.407 1.723 0 50 CDAA C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@@H]1CCCO1 133386293 ONVVRBYRXHZWFZ-SNPRPXQTSA-N 292.379 1.457 0 50 CDAA COc1ccc2c(c1)OCC(C(=O)N1CC[C@@H](N)C1)=C2 237527015 QWJRQRPUYNRJBT-GFCCVEGCSA-N 274.320 1.031 0 50 CDAA Cc1nc([C@H](C)N2Cc3ccccc3[C@@H](C(=O)O)C2)n[nH]1 652469841 GBWOXZQJWKPSEH-ZANVPECISA-N 286.335 1.858 0 50 CDAA CC(C)[C@H](O)C(=O)N1CCN(c2ncccc2Cl)CC1 352103238 YZMRQBBSRNPYCM-LBPRGKRZSA-N 297.786 1.401 0 50 CDAA CN(C)[C@@H](C(=O)N1Cc2cncnc2C1)c1ccccc1 576647430 DMLIMOPGDYWJSP-OAHLLOKOSA-N 282.347 1.622 0 50 CDAA Cc1cc(C)c(C(=O)NC[C@H](C(=O)O)C2CCOCC2)o1 262838813 BZJUGZZJXPVAQM-LBPRGKRZSA-N 295.335 1.754 0 50 CDAA COc1ccccc1-c1cn(CC[C@@H]2CCNC2=O)nn1 902917731 CBMJGAUSBVJBSZ-NSHDSACASA-N 286.335 1.480 0 50 CDAA NCc1cccc(NC(=O)[C@@H]2CCc3cncn3C2)c1 911650000 ZPAGVNBSAQTRHY-GFCCVEGCSA-N 270.336 1.543 0 50 CDAA COC(C)(C)[C@H](C)NC(=O)N[C@H]1CCc2nc(C)nn2C1 916377839 KUXWIJROHABQPI-ONGXEEELSA-N 295.387 1.014 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C12CCOCC2 1857784133 CPGBOXYHYSXEOT-VIFPVBQESA-N 271.313 1.487 0 50 CDAA CC(C)(C)OC(=O)N[C@@]1(C(=O)O)C[C@H](O)C1(C)C 1857780068 GCCLMUDJBQQGFC-JVXZTZIISA-N 259.302 1.125 0 50 CDAA O=C(O)[C@H](CNc1ccnc(C2CC2)n1)C1CCOCC1 863735386 VPUCXJBFWJEZFM-GFCCVEGCSA-N 291.351 1.893 0 50 CDAA Cc1ccc2c(c1)C=C(C(=O)N1CC[C@@H](C(=O)O)C1)CO2 872717391 JZUARTWWVBFHMG-LLVKDONJSA-N 287.315 1.704 0 50 CDAA O=C(COc1ccncn1)Nc1ccnn1C1CCCC1 952876384 OPTJDTYHFLTGGD-UHFFFAOYSA-N 287.323 1.806 0 50 CDAA CCn1nnc(C)c1CN1CC[C@@H](CCN(C)C)C1 952880292 CIFPFWKNCSBTSY-CYBMUJFWSA-N 265.405 1.380 0 50 CDAA CC(C)Nc1nnccc1C(=O)N1CC[C@@H](CCCO)C1 952994121 QGRGAVMCWAMWDC-GFCCVEGCSA-N 292.383 1.532 0 50 CDAA COCC1(CC(=O)Nc2ccc(O)cc2O)CC1 952993711 KQDUDIUNAVOHAX-UHFFFAOYSA-N 251.282 1.853 0 50 CDAA COc1ccc2cc(C(=O)N3CCN(C)CC3)ccc2n1 1875292335 DXDHHOUHEWIDJQ-UHFFFAOYSA-N 285.347 1.631 0 50 CDAA Cc1nc([C@@H]2CCCNC2)sc1C(=O)N[C@@H](C)C(=O)O 1875291227 RVQIZYSRGSHBJZ-DTWKUNHWSA-N 297.380 1.121 0 50 CDAA Cc1cc(C(=O)N[C@@H](CCN)C(F)F)c2c(n1)CCCC2 1875277102 HETDHEFXSCFOSU-ZDUSSCGKSA-N 297.349 1.981 0 50 CDAA CC(C)c1noc(=O)n1CCS(=O)(=O)c1ccccc1 1875391570 CXDRXAGSQKYHCK-UHFFFAOYSA-N 296.348 1.434 0 50 CDAA C=CC(=O)N[C@H]1Cc2ccc(C(=O)OCC)cc2C1 1875369053 OFFSOEWRVGAGME-ZDUSSCGKSA-N 259.305 1.633 0 50 CDAA O=C(c1n[nH]c2ccccc12)N1CCN(c2cn[nH]c2)CC1 1875319669 NDNXFTGSJZMYKW-UHFFFAOYSA-N 296.334 1.248 0 50 CDAA Cc1nnc([C@H]2CCCN(Cc3nonc3C)[C@H]2C)o1 886077968 LORIQTZOSFQLGU-ONGXEEELSA-N 277.328 1.838 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCn2ccnc2)C1 888102925 VKQHGTSERFZMGK-KGLIPLIRSA-N 289.383 1.685 0 50 CDAA N[C@@H]1C[C@@H](NC(=O)c2cccc3c2CCNC3)C12CCC2 1775961158 DGNPFQHFBKSKAA-HUUCEWRRSA-N 285.391 1.332 0 50 CDAA C[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)n2)CC1 275804222 KSRMDRHYVZGIGP-SNVBAGLBSA-N 289.301 1.603 0 50 CDAA CN(CCn1cccn1)Cc1ccc(C(=O)O)cc1F 563278509 XDHYWXWKMPKPEO-UHFFFAOYSA-N 277.299 1.852 0 50 CDAA COCc1noc(CN2CC(Oc3ccccc3)C2)n1 670438493 QVENDHLFOMEASO-UHFFFAOYSA-N 275.308 1.479 0 50 CDAA Cc1nc2n(n1)CCN(C[C@H](O)CC1CCCC1)C2 375480050 CHTGVAOONBIUPG-CYBMUJFWSA-N 264.373 1.343 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCc3ncccc3C2)n[nH]1 2325774775 RMCWNUVDJBGRBK-LLVKDONJSA-N 256.309 1.400 0 50 CDAA NC(=O)C1CC(NC(=O)N[C@@H]2CCC3(CCCC3)C2)C1 2325780712 JWQHUNPKEHZHCF-MOENNCHZSA-N 279.384 1.662 0 50 CDAA COc1ccc2c(c1)[C@@]1(NC(=O)c3ccccc3N1)C(=O)N2 209946 ULFPRSXGJFRYCQ-MRXNPFEDSA-N 295.298 1.656 0 50 CDAA COc1ccc([C@@H]2SC(N)=NN2C(C)=O)cc1 241074 UHYYHFHWFQYWEU-JTQLQIEISA-N 251.311 1.519 0 50 CDAA COC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O 308145 VHNZFXKDCIJJSH-UHFFFAOYSA-N 262.261 1.831 0 50 CDAA biogenic CCOC(=O)[C@@H](C)c1nn(C)c(=O)c2ccccc12 334977 OYUBCTAHBCJQIZ-VIFPVBQESA-N 260.293 1.600 0 50 CDAA COC(=O)c1ccccc1NC(=O)Nc1cnccn1 610041 UICWJBSNQLXDQG-UHFFFAOYSA-N 272.264 1.907 0 50 CDAA CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 617670 LJNJGKLSDYVJRF-LBPRGKRZSA-N 263.293 1.981 0 50 CDAA COCC(=O)Nc1cc(C(=O)OC)ccc1Cl 1006567 WQICTTKXWGETHH-UHFFFAOYSA-N 257.673 1.712 0 50 CDAA O=C(CSc1nncc(=O)[nH]1)Nc1ccc(Cl)cc1 4248973 FEFCFOVHWWTFHR-UHFFFAOYSA-N 296.739 1.549 0 50 CDAA CCn1nnnc1NCc1cc(Cl)ccc1OC 4488583 RPRKHRSBDYHCME-UHFFFAOYSA-N 267.720 1.967 0 50 CDAA O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCCC1 4997606 XHKZMYDVDNYISS-UHFFFAOYSA-N 289.360 1.638 0 50 CDAA CCS(=O)(=O)N1CCN(c2ccc(C)cc2)[C@H](C)C1 6715781 XIPXSXVJTZZYEC-CYBMUJFWSA-N 282.409 1.855 0 50 CDAA O=C(Oc1ccccc1)c1cncc(-n2ccnn2)c1 225776366 NWRSNCWHJFZMIA-UHFFFAOYSA-N 266.260 1.882 0 50 CDAA CCn1cc(C(=O)Nc2ccc(-n3ccnn3)cc2)cn1 114260928 QRKCQDOMTNYUCX-UHFFFAOYSA-N 282.307 1.736 0 50 CDAA O=S1(=O)CC[C@@H](Nc2nc3cc(F)ccc3o2)C1 114446337 YYMRBKUELZMRKV-MRVPVSSYSA-N 270.285 1.566 0 50 CDAA COc1cccc(N2CCN(C3CCN(C)CC3)CC2)c1 23279975 CWEGPAJENJZUGJ-UHFFFAOYSA-N 289.423 1.911 0 50 CDAA COCC(=O)NC[C@H]1CCCN(Cc2cccc(O)c2)C1 67869180 PGZRSXCKGBEHNU-CQSZACIVSA-N 292.379 1.367 0 50 CDAA CCOC(=O)Cc1cc(=O)oc2cc(O)cc(O)c12 26476643 ONXVDIQDSYRPNN-UHFFFAOYSA-N 264.233 1.310 0 50 CDAA biogenic CCOCCN1CCN([C@H](C)c2nc(C)no2)C[C@H]1CC 248045673 VGHPIHGAJPZZMI-TZMCWYRMSA-N 296.415 1.872 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1Nc1ncc(C)c(N(C)C)n1 65387982 WKWQCFDWCKNISN-STQMWFEESA-N 293.415 1.371 0 50 CDAA COCc1nc(NC(=O)[C@H](C(C)C)n2cccc2)n[nH]1 409413936 LRLQNHPVRIBJGG-NSHDSACASA-N 277.328 1.588 0 50 CDAA CCCn1ncc(C(=O)N(CC)Cc2noc(C)n2)c1C 65433442 QKXFSCPGSWDXHR-UHFFFAOYSA-N 291.355 1.955 0 50 CDAA CCc1[nH]nc(C(=O)NCC[C@H]2CCCN(C)C2)c1C 67821596 BZYKQMIIMPLXRC-GFCCVEGCSA-N 278.400 1.742 0 50 CDAA COC(CNS(=O)(=O)c1c(C)cc(C)cc1C)OC 384247 BVXYIXISRCAWDV-UHFFFAOYSA-N 287.381 1.509 0 50 CDAA O=C(CN1CC[C@H]1c1ccccc1F)NC[C@H]1CCCO1 252671884 ONGNJJHFUIXZSQ-DOMZBBRYSA-N 292.354 1.868 0 50 CDAA C[C@@H]1CN(C(=O)C[C@@H](C)C2CCNCC2)[C@H](C)CO1 429701891 VYRKZEQWIGLHOU-JHJVBQTASA-N 268.401 1.648 0 50 CDAA CN1CC[C@H]2OCCN(c3nc4cc(F)ccc4o3)[C@H]2C1 328590769 ZCFCHTKOBYYADL-GXTWGEPZSA-N 291.326 1.876 0 50 CDAA COc1nccnc1-c1cc(NCCO)nc2[nH]ccc12 72174143 IFYKOGQBGYMDAV-UHFFFAOYSA-N 285.307 1.433 0 50 CDAA Cc1ncncc1C(=O)N[C@H]1c2ccccc2C[C@H]1O 123207155 IRMGDLNTRHMJEE-KGLIPLIRSA-N 269.304 1.173 0 50 CDAA O=C([C@@H]1C[C@@H]1C1CC1)N1CCOC[C@@H]1c1ncon1 329467308 WNZLFERGAGDSSX-GMTAPVOTSA-N 263.297 1.016 0 50 CDAA Cn1cc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)cn1 129896949 PTFRFTBPJFAULV-LBPRGKRZSA-N 261.256 1.501 0 50 CDAA Cc1cc(N=c2ccc3nnnn3[nH]2)nn1[C@@H](C)C1CC1 329614250 DAEYTCQZCUAWLW-VIFPVBQESA-N 284.327 1.161 0 50 CDAA Cc1ncoc1C(=O)N(C[C@H]1CCOC1)C1CC1 329950477 HURPDQQBFYRZJE-SNVBAGLBSA-N 250.298 1.624 0 50 CDAA CC(C)(C)c1ncc(C(=O)NCc2ccncc2)c(=O)[nH]1 77521275 QWWUDTQUPAKKPA-UHFFFAOYSA-N 286.335 1.392 0 50 CDAA CN(C)C[C@]1(O)CCN(C(=O)c2cc3sccc3[nH]2)C1 72137167 CJCXPLBGJMFWJZ-CQSZACIVSA-N 293.392 1.368 0 50 CDAA O=C([C@H]1CCCOC1)N1CCN[C@H](c2cccc(F)c2)C1 253630009 UQFXPRGPMBJTNZ-ZFWWWQNUSA-N 292.354 1.725 0 50 CDAA Cn1nccc1CCC(=O)N1CCC(N2CCCC2)CC1 120016104 FFRNAOVJJCSCIM-UHFFFAOYSA-N 290.411 1.440 0 50 CDAA CC(=O)c1cc(CN2CC[C@@]3(C2)CN(C)C(=O)O3)n(C)c1 215404571 XZFNHUGVSVJQKN-HNNXBMFYSA-N 291.351 1.254 0 50 CDAA CCOc1ccc(S(=O)(=O)NC[C@@H](C)O)c(C)c1C 36638823 OUDMHVSCUKEWSK-SECBINFHSA-N 287.381 1.361 0 50 CDAA COC(=O)[C@H]1CCc2nnc(Cc3ccccc3F)n2C1 260313598 LEQGIRFEBFNQOD-NSHDSACASA-N 289.310 1.743 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C 262864146 HOIXXFFNOIGAGC-MNOVXSKESA-N 298.383 1.345 0 50 CDAA Cc1cccc(C(=O)N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)c1 337131070 BHDGMUXMFSNAML-OAGGEKHMSA-N 289.375 1.997 0 50 CDAA Cn1cnnc1CN(C[C@@H]1CCCO1)C1CCCC1 173579147 SBUBDRIVZZLCCA-ZDUSSCGKSA-N 264.373 1.739 0 50 CDAA Cc1cc(F)c(C(=O)N2CCC(N)CC2)cc1F 237649029 QQSHIEURIWCCNS-UHFFFAOYSA-N 254.280 1.837 0 50 CDAA CCOCCOCC(=O)Nc1ccc(C)cc1O 129148839 BNWKINBFRAOEIH-UHFFFAOYSA-N 253.298 1.692 0 50 CDAA Cc1nnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)o1 376424249 WPYSWEUFWQXGFM-LBPRGKRZSA-N 253.302 1.152 0 50 CDAA C[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H](C2CC2)O1 373428350 UIKVSQDXNYVWCE-ZANVPECISA-N 275.352 1.538 0 50 CDAA O[C@@]1(c2c[nH]nn2)CCN(c2nc3cc(F)ccc3o2)C1 284556663 NXBWXBQYMVSKAV-ZDUSSCGKSA-N 289.270 1.183 0 50 CDAA CN1CCC[C@H](C(=O)N2CCOC3(CCCCC3)C2)C1=O 336207651 JCSCNIZEHMDEIO-ZDUSSCGKSA-N 294.395 1.417 0 50 CDAA COc1ccc(OCCN2CCN[C@@H](C)C2)cc1 40456364 OAEWWXORXMIVFZ-LBPRGKRZSA-N 250.342 1.368 0 50 CDAA COc1cc(C)c(Br)cc1S(N)(=O)=O 41096008 PCMGOJLPHXXIIO-UHFFFAOYSA-N 280.143 1.414 0 50 CDAA CC(=O)CC[C@@H]1C(=O)c2c(O)cc(O)cc2N(C=O)[C@@H]1C 44123102 FUKYMMXGVQFBLQ-KOLCDFICSA-N 291.303 1.631 0 50 CDAA COc1cccc(CSc2nnc(CN)n2C)c1OC 426615541 OGVHPDXQWUYCKJ-UHFFFAOYSA-N 294.380 1.583 0 50 CDAA C[C@H](c1ccncn1)N(C)C(=O)c1n[nH]c(N)c1Cl 220745284 MVTFBGPDXOJCJN-ZCFIWIBFSA-N 280.719 1.269 0 50 CDAA O=C(NCC1CCN(c2ncccn2)CC1)c1cccnc1 43976708 MIFOTYNPFPYXRM-UHFFFAOYSA-N 297.362 1.518 0 50 CDAA c1ccc2c(-c3cn(C[C@H]4CNCCO4)nn3)ccnc2c1 95387151 CABAVMYMPKZESK-GFCCVEGCSA-N 295.346 1.482 0 50 CDAA CCOCCSc1nnc(CN)n1-c1ccc(F)cc1 426597284 UJVPZFQTPVLTRY-UHFFFAOYSA-N 296.371 1.994 0 50 CDAA O=C(O)CN(C(=O)CC[C@@H]1CCCCO1)C1CCOCC1 532601942 FOUJHXHPTZTHIB-ZDUSSCGKSA-N 299.367 1.428 0 50 CDAA NC(=O)C1(NC(=O)c2ccccc2-c2ncc[nH]2)CCCC1 97742872 QJAIUIGAUSDCLW-UHFFFAOYSA-N 298.346 1.605 0 50 CDAA Cc1c([C@@H](C)NC(=O)CN)cnn1-c1ccc(F)cc1F 91943913 PBBCBNQIOHPETF-MRVPVSSYSA-N 294.305 1.595 0 50 CDAA CC[C@H](C(=O)N(C)C)n1ccc2ncccc2c1=O 95386671 QJWLSMMCBMPYEO-GFCCVEGCSA-N 259.309 1.436 0 50 CDAA CO[C@@]1(C)C[C@@H](NC(=O)C2CCNCC2)C1(C)C 237156251 RMVUTRVQASWMDJ-RISCZKNCSA-N 254.374 1.306 0 50 CDAA CSCCc1nc(-c2c(C)noc2C)n(CC(=O)O)n1 97713501 VAHKNNQPYUHFJV-UHFFFAOYSA-N 296.352 1.540 0 50 CDAA CC[C@@H](C(=O)NCc1cnn2cccnc12)n1cccn1 91586791 YGBVGYSNJWIPCZ-LBPRGKRZSA-N 284.323 1.193 0 50 CDAA CCCNS(=O)(=O)c1ccc(-c2ncnn2C)cc1 91680307 UOAZXHZVTSCAEH-UHFFFAOYSA-N 280.353 1.170 0 50 CDAA CCn1ccc(CN2CC(N3CCCC[C@H]3C)C2)n1 244652078 GZKAUEOOJPYJLU-CYBMUJFWSA-N 262.401 1.962 0 50 CDAA CC[C@H](C(=O)N(C)Cc1noc(C2CC2)n1)N1CCCC1 243892353 AGRLOMJJPMWGPL-GFCCVEGCSA-N 292.383 1.780 0 50 CDAA COCc1nc(CN(C)Cc2ccc3nonc3c2)no1 244723829 MIFBEKXTACARHZ-UHFFFAOYSA-N 289.295 1.384 0 50 CDAA O=C(NCCC1=CCCCC1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 247372225 HGLQREXPUNVVBE-SYQHCUMBSA-N 293.363 1.871 0 50 CDAA Cc1cc(=O)c2cc(NC3=CC(=O)NC3)ccc2[nH]1 524734274 PAZFQWNVAJANSJ-UHFFFAOYSA-N 255.277 1.262 0 50 CDAA Cc1nnc(CN2CCC[C@H](c3nccn3C)C2)o1 252484322 FUHGQJQKKRXJCN-NSHDSACASA-N 261.329 1.491 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)C2(N)Cc3ccccc3C2)C1 299739820 RPBAFNCNHKYSSK-BETUJISGSA-N 272.392 1.987 0 50 CDAA COCC1(CNC(=O)c2cc(O)cc(C(=O)OC)c2)CC1 534587388 PYNSDJWQNCBXJA-UHFFFAOYSA-N 293.319 1.335 0 50 CDAA O=C(NCc1nc(C2CC2)no1)c1ccncc1Cl 534577684 REVXSBFZTMOZQG-UHFFFAOYSA-N 278.699 1.925 0 50 CDAA CSC[C@H](NC1CCN(Cc2ccco2)CC1)C(=O)O 534672368 YVHDRWABEMXLHI-ZDUSSCGKSA-N 298.408 1.650 0 50 CDAA CCc1noc(C)c1C(=O)N1CC[C@H](c2nc(C)no2)C1 299781635 RRBSAXCVDVGWJA-JTQLQIEISA-N 290.323 1.867 0 50 CDAA CCCc1nc(CNC(=O)CCCn2cncn2)cs1 299774681 HXDBGZUXDCZNRO-UHFFFAOYSA-N 293.396 1.784 0 50 CDAA COC(=O)c1cc(Br)c(NC(C)=O)o1 725343634 VOLINUWWKOMICG-UHFFFAOYSA-N 262.059 1.787 0 50 CDAA COc1ccc2ncn(Cc3cnn(C)c3C)c(=O)c2c1 824757807 KDTKAUFBXFYQKH-UHFFFAOYSA-N 284.319 1.495 0 50 CDAA Cc1cc(C)n(CCNC2Cc3ccccc3C2)c(=O)n1 825130927 VVSUVKNJKAJISM-UHFFFAOYSA-N 283.375 1.617 0 50 CDAA Cc1cccnc1C(=O)NC1(C(N)=O)CCCCCC1 584897820 JHAZGPPNCPLDEG-UHFFFAOYSA-N 275.352 1.698 0 50 CDAA COc1ccc2ncn([C@H](CO)CCSC)c(=O)c2c1 584896674 ARPXYZGLRGEJRV-JTQLQIEISA-N 294.376 1.692 0 50 CDAA Cc1nn(CCCNC(=O)C[C@@H]2CCOC2)c(C)c1C 670469794 RXFACUJJGISIGY-AWEZNQCLSA-N 279.384 1.741 0 50 CDAA COc1nc(N(C)CC2(CO)CCC2)ncc1F 670461343 BTHRXJGTCMMRGJ-UHFFFAOYSA-N 255.293 1.223 0 50 CDAA C[C@H]1C[C@H](C[C@@H](N)C2(O)CCNCC2)C[C@@H](C)O1 958528002 LOZNDGXDZWMNDC-YVECIDJPSA-N 256.390 1.022 0 50 CDAA CN(C)[C@@H](CNC(=O)CN1CCCCCC1)c1ccco1 952973334 SCRXHEVLYNQZPG-AWEZNQCLSA-N 293.411 1.875 0 50 CDAA COC[C@H]1[C@H](NC(=O)Cc2c(C)noc2C)[C@H]2CCO[C@H]21 1565528284 WDALEMBUMWYPQW-DZGBDDFRSA-N 294.351 1.000 0 50 CDAA COCc1cc(N2C[C@H](C)[C@@](O)(C3CC3)C2)ncn1 1565511191 FDJWJLYJYWPHDS-IINYFYTJSA-N 263.341 1.220 0 50 CDAA CNS(=O)(=O)c1ccc(N2CCCCCC2)nc1 301166023 HTXJZOGZZQGXDR-UHFFFAOYSA-N 269.370 1.370 0 50 CDAA COc1ccc([C@@H]2CCN(c3ccc(C(N)=O)nn3)C2)cc1 301364821 RRKNDGCLFLMMJM-GFCCVEGCSA-N 298.346 1.578 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)O)C1 407986693 CAHYRJPYGDWRSC-QMMMGPOBSA-N 281.312 1.832 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2CC[C@H](C(N)=O)c3ccccc32)CO1 408412085 NHIUWMUJDGDYAM-WZRBSPASSA-N 288.347 1.417 0 50 CDAA C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(=O)O 268908506 QIEKXIAAGCQSNH-FBIMIBRVSA-N 291.303 1.151 0 50 CDAA CN(C)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 169891289 WYNOHVBOSVNULP-UHFFFAOYSA-N 281.400 1.829 0 50 CDAA CCc1ncsc1C(=O)N[C@H](C)c1ncon1 272239776 XBYXRISHHCWSDG-ZCFIWIBFSA-N 252.299 1.580 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2C(=O)O 91304142 YKUHLURNVRVYFU-ULKQDVFKSA-N 255.314 1.964 0 50 CDAA in-vitro CCn1nc(C)cc1C(=O)Nc1ccc(C(N)=O)cc1C 751082608 NWVBLKABYMQEEP-UHFFFAOYSA-N 286.335 1.871 0 50 CDAA CC[C@H]1C(=O)NCCN1Cc1cnc2ccccc2n1 585094174 MSEWMBUHGZFZRO-AWEZNQCLSA-N 270.336 1.340 0 50 CDAA CC[C@H](C)NC(=O)CCC(=O)CCC(=O)N[C@@H](C)CC 585089468 PKMCKJUZOIMIDZ-RYUDHWBXSA-N 284.400 1.945 0 50 CDAA COC(=O)CC[C@@H](Sc1cccc(O)c1)C(=O)OC 585118168 FIJRXJOCALUPRS-LLVKDONJSA-N 284.333 1.979 0 50 CDAA CO[C@@H]1CN([C@@H]2CCCN(CC(C)(C)C)C2=O)CCO1 585116101 HJPMHTSQOGWMMW-OLZOCXBDSA-N 284.400 1.328 0 50 CDAA Cc1cc(=O)n(C)cc1NC(=O)[C@H]1CCCO[C@H]1C 188688868 GKUYRVJZVDMEII-QWRGUYRKSA-N 264.325 1.447 0 50 CDAA CC(C)c1nnc2ccc(NC(=O)[C@H]3COCCO3)cn12 189278439 IEHQOYHKPHSAHZ-LLVKDONJSA-N 290.323 1.207 0 50 CDAA CC(C)c1[nH]ncc1C(=O)N1CC[C@H](N2CCOCC2)C1 189443415 HTSHOTJJTGMAOZ-LBPRGKRZSA-N 292.383 1.080 0 50 CDAA Cc1noc(C)c1-c1ccc(C(=O)NCC(=O)O)s1 573220637 IMLOVUZQBWIQDZ-UHFFFAOYSA-N 280.305 1.834 0 50 CDAA CC(C)n1cnnc1CNC(=O)[C@H](C(=O)O)C(C)(C)C 663110224 KAUITBVWMLCWGH-SNVBAGLBSA-N 282.344 1.222 0 50 CDAA O=C([C@H](O)C1CC1)N1CCC(c2nccs2)CC1 667946375 HUPNEPIPFLDWJI-LLVKDONJSA-N 266.366 1.620 0 50 CDAA C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNC[C@@H](C)O 1775987145 DHXXZAUOOYWPBI-QJPTWQEYSA-N 272.389 1.602 0 50 CDAA CCOCCCC(=O)N1CC[C@@]2(CCCN2C)C1 1615003633 ZFTTYMYDRPZCFN-AWEZNQCLSA-N 254.374 1.500 0 50 CDAA COCc1noc([C@@]2(N)CCc3c(OC)cccc32)n1 1615056826 AUWDPQWZLYFFDQ-CQSZACIVSA-N 275.308 1.373 0 50 CDAA COc1ccc(O[C@@H](C)C(=O)NC[C@@H]2CCCO2)cc1 514415 GOBAIIFKKDOXSS-FZMZJTMJSA-N 279.336 1.758 0 50 CDAA O=C(NCCc1cn[nH]c1)c1cnc2ccccc2n1 214960022 GZIAIONABARTEQ-UHFFFAOYSA-N 267.292 1.325 0 50 CDAA CN(Cc1ccc(F)c(Cl)c1)[C@H]1COC[C@@H]1O 216381400 OUJIHQKVXNEKJT-RYUDHWBXSA-N 259.708 1.671 0 50 CDAA Cc1nc(CS(=O)(=O)NCCc2cnoc2)cs1 907384111 JSGFIAXXWDECAQ-UHFFFAOYSA-N 287.366 1.102 0 50 CDAA CC[C@H](C)[C@H](NC(=O)Cc1ccc(Cl)nc1)C(=O)OC 110668659 OVEDXEDFGVASHE-ZANVPECISA-N 298.770 1.981 0 50 CDAA CC1(C)CC[C@H](N2CCC(c3nc(=N)[nH][nH]3)CC2)C1 1857666734 OFTACGQURKMEGN-NSHDSACASA-N 263.389 1.975 0 50 CDAA Cc1noc(C)c1CCCn1cnc2cc[nH]c2c1=O 1857700528 DNZZSSKZIRRAHT-UHFFFAOYSA-N 272.308 1.962 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(c1cncc(C(=O)O)n1)C2 1704297433 RRSRJEDTFIRDFZ-IUODEOHRSA-N 291.351 1.960 0 50 CDAA Cn1cncc1CN(CCO)C(=O)CC1CCCCC1 1704337270 QADYBDDLLYWICR-UHFFFAOYSA-N 279.384 1.711 0 50 CDAA Cn1cccc1C(=O)NCc1nc(C(F)(F)F)no1 585130019 FLCJOXBPJMBPSQ-UHFFFAOYSA-N 274.202 1.357 0 50 CDAA O=S(=O)(NC[C@H]1CCCO1)c1cc(F)ccc1F 6741930 WJFAMXMLGDVBOT-SECBINFHSA-N 277.292 1.422 0 50 CDAA Cc1ccccc1C(=O)NCc1n[nH]c(=S)n1C 5981921 YKYCCBZEEBWORV-UHFFFAOYSA-N 262.338 1.716 0 50 CDAA CC(C)(C)OC(=O)NC[C@@H](N)c1ccc2c(c1)OCO2 12357113 SPSZUBZMVYTJJF-SNVBAGLBSA-N 280.324 1.940 0 50 CDAA CN1CCN(C(=O)c2ccc(Br)s2)CC1 16602853 YLBDNLACBKXGPE-UHFFFAOYSA-N 289.198 1.898 0 50 CDAA O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCCC1 165731454 FYFJLDUHPTUOEU-AUZPSNTRSA-N 290.363 1.030 0 50 CDAA Nc1cncc(N2CCN(CCc3ccccc3)CC2)n1 1857673220 PWULAJWSFYZCBU-UHFFFAOYSA-N 283.379 1.424 0 50 CDAA Cc1nc(N2CCO[C@H]3C[C@H](CO)C[C@@H]32)nc2c1CCC2 1857726747 AVKMZHXWOUJWSV-UGFHNGPFSA-N 289.379 1.250 0 50 CDAA COCCC1(CNC(=O)[C@]2(C)CCC(=O)NC2)CCCC1 241961409 USGLLKNHNAXRNR-OAHLLOKOSA-N 296.411 1.616 0 50 CDAA COC1(C)CN(C(=O)c2cnc3nc(C)ccc3c2O)C1 408057742 ZABZVVPEVLWCRT-UHFFFAOYSA-N 287.319 1.505 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCc1nncn1C(C)C 408474618 HGJHVVLQSWEKCT-OCCSQVGLSA-N 294.399 1.926 0 50 CDAA O=C1Nc2cccc(I)c2C1=O 2585421 NYWOXCHAPWQNFC-UHFFFAOYSA-N 273.029 1.426 0 50 CDAA in-vitro CCCC[C@@H](N)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 236709358 UWRJZXJWZLBNTP-UONOGXRCSA-N 292.427 1.719 0 50 CDAA CO[C@@]1(c2nnc(CN3CCC=C(C)C3)o2)CCOC1 644273345 LRXYYMKXCJHQGW-AWEZNQCLSA-N 279.340 1.484 0 50 CDAA CSCCCCNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1N 252532978 FPPRXQOIQMHGAA-FIQHERPVSA-N 256.415 1.619 0 50 CDAA Cc1cc(C(=O)N2CCN[C@H](C)C2)ccc1-n1cncn1 155256652 MFGKSALYOOTHKH-GFCCVEGCSA-N 285.351 1.010 0 50 CDAA COc1cc2c(cc1OC)C(=O)C1(CCN(C)CC1)NC2 261507338 HNQVUWSNUQOQCQ-UHFFFAOYSA-N 290.363 1.454 0 50 CDAA C[C@H](CNC(=O)c1cccc([C@@H]2CCOC2)c1)C(=O)O 263301896 DJWHIKPRRPGXDV-ZWNOBZJWSA-N 277.320 1.641 0 50 CDAA COC(=O)c1ccc(CNc2n[nH]c(C)n2)cc1C 902077360 PTQRPGGOIBFXTH-UHFFFAOYSA-N 260.297 1.820 0 50 CDAA CCc1nsc(NCCN(C)C(=O)c2cscn2)n1 1101519140 RRWUWYJDTUVFBW-UHFFFAOYSA-N 297.409 1.741 0 50 CDAA Cc1ccnn1CC(=O)Nc1nccnc1C(C)C 906424806 BVWIAUVLJALQCH-UHFFFAOYSA-N 259.313 1.744 0 50 CDAA Cc1n[nH]cc1C(=O)N1CCc2occc2[C@@H]1C(=O)O 910203337 VNIKGNAJSPYKHB-LLVKDONJSA-N 275.264 1.135 0 50 CDAA Cc1coc(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)c1 910610946 LEXSBKGHHRKHIU-LOIXOFCESA-N 293.319 1.730 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CCCC[C@H]1SC 911870623 FBIVCPSCSUZMHN-VXGBXAGGSA-N 284.425 1.811 0 50 CDAA C[C@@H]1CCN(c2nc3ccccc3c(=O)n2CCO)C1 828776331 PSHOCGQUOKLTRG-LLVKDONJSA-N 273.336 1.235 0 50 CDAA Cc1nnc(C2(C)CN(C(=O)[C@@H]3O[C@H](C)C[C@H]3C)C2)o1 952892464 NQBRNNDOWPITQJ-FXPVBKGRSA-N 279.340 1.291 0 50 CDAA CCCOc1cccc(NC(=O)[C@@]2(N)CC[C@H](O)C2)c1 952884251 RPOJIQADDSFYRL-SWLSCSKDSA-N 278.352 1.656 0 50 CDAA O=C(Nc1ccc2c(c1)OCO2)c1cc2n(n1)CCOC2 1875266527 GSTLOESJPLPIMP-UHFFFAOYSA-N 287.275 1.394 0 50 CDAA C[S@@](=O)c1ccc(C(=O)N2CC3(CC(O)C3)C2)cc1 1875274495 DDBYIFWZIDUSBF-LJQANCHMSA-N 279.361 1.021 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2F)C1 1875322270 OARHQXYZGXIEBX-SECBINFHSA-N 289.314 1.878 0 50 CDAA Cc1nccn1CCNC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C 878555148 QZUFPECCFXWNOK-HZMBPMFUSA-N 287.367 1.397 0 50 CDAA O=C(O)c1ccc(/C=C/C(=O)N2CCN3CC[C@H]2C3)cc1 888096153 MFQUOWQAJPMNHB-ZRFDWSJLSA-N 286.331 1.315 0 50 CDAA Cc1nnc(N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)nc1C 896683035 LOZBOMIOOZLLDR-LLVKDONJSA-N 296.396 1.400 0 50 CDAA Cc1ccccc1N1CCC[C@@H](NCCC(=O)O)C1=O 1776004075 MWNPBMMGHKPBNR-GFCCVEGCSA-N 276.336 1.555 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2-c2cccnc2)C1 259649375 IGUNUCALXLJCLE-SECBINFHSA-N 258.281 1.076 0 50 CDAA CS(=O)(=O)C1(CNc2ncc(Cl)cc2F)CC1 280573028 VQKARBRHJPYSHV-UHFFFAOYSA-N 278.736 1.863 0 50 CDAA CN(C(=O)Cc1ccsc1)[C@H]1C[C@@H](C(=O)O)C1 659231535 SDEGLKQSMNWKOI-AOOOYVTPSA-N 253.323 1.612 0 50 CDAA Cc1nc(N[C@H](C)c2nnn[nH]2)c2sccc2n1 95355173 LNCGSRPMADXLAY-RXMQYKEDSA-N 261.314 1.686 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2nc3ccccc3nc2C)C1 343776099 NHJKCBGVTBHJOE-RYUDHWBXSA-N 273.336 1.524 0 50 CDAA O=C(CCc1cn[nH]c1)NCCSC(F)(F)F 863858657 LSYFWOVHTRHQPY-UHFFFAOYSA-N 267.276 1.712 0 50 CDAA COc1ccc(-c2noc(C(=O)NC(C)C)n2)cc1OC 4721672 ZTOYTAVJWIVMNG-UHFFFAOYSA-N 291.307 1.892 0 50 CDAA CCc1onc(C)c1-c1nc([C@H]2C=CC=NC2=O)no1 2325762499 QYSYLXFGWXGTCZ-MRVPVSSYSA-N 272.264 1.846 0 50 CDAA Cc1onc(-c2ccsc2)c1C(=O)NN1CCCC1=O 2325769888 KOJYGVASMUXJQT-UHFFFAOYSA-N 291.332 1.979 0 50 CDAA CO[C@@H]1CNC[C@@H](C(=O)Nc2ccc3cnn(C)c3c2)C1 2325776920 NPNPIBIWMSNTPR-AAEUAGOBSA-N 288.351 1.136 0 50 CDAA CC(C)C[C@H](C(=O)NCc1nc(=N)[nH][nH]1)c1ccccc1 2325801081 VIZDQEVMABUROI-LBPRGKRZSA-N 287.367 1.663 0 50 CDAA Cc1ccc2c(c1)N(C)CCN2C(=O)c1coc(O)n1 2325804548 ZQFHGLJLSNJBIO-UHFFFAOYSA-N 273.292 1.785 0 50 CDAA Cc1nc(CC(=O)N2C[C@@H]3CC[C@H]2[C@H](C(=O)O)C3)co1 2325808351 SOUAHOGSBIVRDQ-JLLWLGSASA-N 278.308 1.237 0 50 CDAA O=c1nc[nH]n1-c1cccc(-c2ccc3nncn3c2)c1 2325824613 JNYKLZBGAXVSDL-UHFFFAOYSA-N 278.275 1.270 0 50 CDAA COc1ccc(/C(C)=C/C(=O)N2CC[C@H](N)C2)cc1 132388116 RJXXZIVZWFZZMT-STRFDMGBSA-N 260.337 1.658 0 50 CDAA O=S(=O)(NC[C@H]1CCCO1)c1cccc2nsnc12 33206 QNCQJOMNJVFJEL-MRVPVSSYSA-N 299.377 1.149 0 50 CDAA O=C(Cn1ncnn1)OCc1ccccc1Cl 306640 WOCILMDODSOAEE-UHFFFAOYSA-N 252.661 1.070 0 50 CDAA O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 310724 YSGRDNRIPMCECV-CYBMUJFWSA-N 294.376 1.118 0 50 CDAA CCn1ccc(-c2nnc3n2[C@@H](C)C(=O)N(C2CC2)C3)n1 2356136518 XXWVQXVEBLKIBD-VIFPVBQESA-N 286.339 1.227 0 50 CDAA COC(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 2383929 RQDZKOOUQIDZOG-SSDOTTSWSA-N 265.256 1.804 0 50 CDAA CCc1ccc(NC(=O)C[C@@H]2OCCN(CC)C2=O)cc1 2437281 PTLDNXFMAAUODH-AWEZNQCLSA-N 290.363 1.825 0 50 CDAA CSCC[C@H](NC(=O)c1occc1C)C(=O)O 2487492 YMWOJDLASIWRIA-QMMMGPOBSA-N 257.311 1.524 0 50 CDAA O=C(NCCN1CCCC1)c1ccc2c(c1)OCCO2 2849634 UJLLFPZPUHUQIO-UHFFFAOYSA-N 276.336 1.283 0 50 CDAA CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 2943450 YZUKKPJSUIOQPV-NSHDSACASA-N 292.335 1.319 0 50 CDAA COC(=O)c1c(N2C(=O)C=CC2=O)sc(C)c1C 4117736 OVFMHUCYMNCCOT-UHFFFAOYSA-N 265.290 1.581 0 50 CDAA Cn1cc(C(=O)O)c(-c2ccc3c(c2)OCCCO3)n1 4205267 WGYBUURGUCPCNU-UHFFFAOYSA-N 274.276 1.947 0 50 CDAA Cc1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4333216 TVKVZVRESYXNRE-NSHDSACASA-N 299.417 1.390 0 50 CDAA CC(C)(C)c1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 6746532 YVXKQBGDZPLMRP-UHFFFAOYSA-N 287.319 1.613 0 50 CDAA NC(=O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 133465301 KBUMUEWCWJPVAR-VIFPVBQESA-N 287.241 1.257 0 50 CDAA COC(=O)CN1CCCN(Cc2cnccc2C)CC1 225497505 RGUAWCPFKJBCAI-UHFFFAOYSA-N 277.368 1.071 0 50 CDAA Cc1noc(C)c1CNc1ncnc2nc(N)ccc12 134710137 LPZRKYYMFKJDIA-UHFFFAOYSA-N 270.296 1.824 0 50 CDAA CNC(=O)Cc1ccc(NC(=O)c2cccnc2)cc1 29358881 LKVVEWFSYFXBFG-UHFFFAOYSA-N 269.304 1.622 0 50 CDAA COC[C@@H](C)NC(=O)[C@H]1CC(c2ccccc2Cl)=NO1 20550791 RLUFSBOUCUQGLJ-NOZJJQNGSA-N 296.754 1.984 0 50 CDAA C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3cnnn3)cc2)C1 20427009 DBRVMMASDXTNSI-VXGBXAGGSA-N 285.351 1.780 0 50 CDAA CN1CCC2(CC1)CCN(C(=O)c1n[nH]cc1Cl)C2 67974565 IJDPHZXAYBDSDZ-UHFFFAOYSA-N 282.775 1.621 0 50 CDAA CCN1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 23402894 JMZVIKBHBORCAI-GFCCVEGCSA-N 280.343 1.757 0 50 CDAA C[C@H](C(=O)N1CCCC1)N1CCCC[C@H]1Cn1cncn1 253378009 YYCUTIJGGFRPEX-KGLIPLIRSA-N 291.399 1.144 0 50 CDAA COc1cc(NCCNc2ncccc2C)ncn1 65508888 XUJKIFGWJWIWIE-UHFFFAOYSA-N 259.313 1.713 0 50 CDAA COC(=O)[C@@H](Sc1nc2cncnc2[nH]1)C1CC1 358839456 HENSDWBRGMKZGQ-QMMMGPOBSA-N 264.310 1.397 0 50 CDAA O=[S@@]1Cc2cc3c(cc2CO1)CO[S@@](=O)C3 70632044 CLTMVLOQEWPTSD-IYBDPMFKSA-N 258.320 1.074 0 50 CDAA O=C(Cc1ccccc1O)NCc1ccc2[nH]c(=O)[nH]c2c1 184135742 KOEHXKZFUZIADH-UHFFFAOYSA-N 297.314 1.421 0 50 CDAA CCNC(=O)CCN1C[C@H](O)C[C@H]1c1cccc(OC)c1 281995363 CQFSXALBAMKOCA-HIFRSBDPSA-N 292.379 1.329 0 50 CDAA Cc1ccccc1[C@H](C(=O)O)N1CCn2ncnc2C1 328597169 FDACBTLHTLNILD-CYBMUJFWSA-N 272.308 1.228 0 50 CDAA CCc1csc(CC(=O)N2CCCn3nccc32)n1 328699408 VPLPEMNAYBKOCZ-UHFFFAOYSA-N 276.365 1.881 0 50 CDAA Cc1noc([C@@H](C)N2CCC[C@H]2Cn2nc(C)nc2C)n1 257365640 CQKRHFUPSHRJJF-RNCFNFMXSA-N 290.371 1.812 0 50 CDAA COc1cccc2ccc(CN3CCOC[C@@H]3CO)nc12 215482410 LTIZOWIBBHPLMJ-AWEZNQCLSA-N 288.347 1.437 0 50 CDAA Cc1ccc(N2CC[C@@H](NC(=O)C(C)C)C2=O)cc1 152923074 YXBBQZUNFPBEOY-CYBMUJFWSA-N 260.337 1.873 0 50 CDAA C[C@H]1CC[C@H](C(=O)NCCc2nnc(S)n2C2CC2)O1 153655896 JJXJUBFUIYDIAR-WCBMZHEXSA-N 296.396 1.128 0 50 CDAA C[S@](=O)c1nncn1CCN1CCCc2ccccc21 154252022 IXRWUENHPQDAER-HXUWFJFHSA-N 290.392 1.468 0 50 CDAA CC(C)CONC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 124522177 VHEPCZKTLWSMAH-NWDGAFQWSA-N 283.372 1.274 0 50 CDAA O=C(COc1ccc(F)cc1)N1CCC2(CCN2)CC1 335150927 UPNRFYLRRVSTTA-UHFFFAOYSA-N 278.327 1.559 0 50 CDAA CCc1noc(C)c1NC(=O)[C@@H]1C[C@H](OC)CN1C 330562391 JKCMIAAJEVEMMS-ONGXEEELSA-N 267.329 1.203 0 50 CDAA Cn1cc(Cl)cc1C(=O)NCCNc1cccnc1 215006509 JXSJNULFSIAJEK-UHFFFAOYSA-N 278.743 1.915 0 50 CDAA CNC(=O)Cn1ccc2ccc(NC(=O)C3CC3)cc21 173115282 UIRNPMYMKZFAHX-UHFFFAOYSA-N 271.320 1.736 0 50 CDAA C[C@@H]1C[C@H](C(=O)Nc2nc(-c3cnn(C)c3)cs2)CO1 331418790 RALQWKFSTWYQBY-BDAKNGLRSA-N 292.364 1.907 0 50 CDAA OC[C@@]1(F)CCN(Cc2cccc(-n3cccn3)c2)C1 368537367 IANIOXDTHNFPRX-OAHLLOKOSA-N 275.327 1.779 0 50 CDAA NC(=O)Cc1occc1C(=O)N1CC[C@@H](c2ccco2)C1 368511888 NUULXWLHKHWAJI-SNVBAGLBSA-N 288.303 1.530 0 50 CDAA COc1ccc([C@@H](NC(=O)C(=O)O)C2CCOCC2)cc1 368627560 XEXSEPOWIJCKFM-CYBMUJFWSA-N 293.319 1.364 0 50 CDAA CCN1CC[C@H](N(C)C(=O)CC(C)(C)N)[C@@H](C)C1 236848008 CPPHQXLEJGKPIF-RYUDHWBXSA-N 255.406 1.303 0 50 CDAA Cc1c(NC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)nnn1C 333361293 LCOCCLBDUCKFEL-SKDRFNHKSA-N 287.323 1.767 0 50 CDAA c1cncc(OC2CCN(C[C@@H]3CCOC3)CC2)c1 215785803 NFTJJOQBIIHMFH-ZDUSSCGKSA-N 262.353 1.961 0 50 CDAA C[C@@H](CCNC(=O)NC1CCSCC1)[S@@](C)=O 334082454 PFRNANSLHROJQB-HUTHGQBESA-N 278.443 1.338 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@H]1CCOC1)c1ccc(F)cc1 237963884 BFYJDPYFKKJGBJ-JQWIXIFHSA-N 281.283 1.494 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)c1cccc2c1CCC2 263292113 RFBGZVMDFIKMQK-ZDUSSCGKSA-N 275.304 1.101 0 50 CDAA CO[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1 177953724 XXIJDBDSNBJHJF-LBPRGKRZSA-N 263.293 1.636 0 50 CDAA Cn1cc(CCOC(=O)C[C@@H]2C(=O)Nc3ccccc32)cn1 132172095 XARSHJMYVPONFR-ZDUSSCGKSA-N 299.330 1.632 0 50 CDAA Cc1cc(=O)c(OCC(=O)N2CCc3ccccc3C2)co1 194687329 ZTUICJORZOXCKO-UHFFFAOYSA-N 299.326 1.912 0 50 CDAA O=C(CC1CC1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 220198044 ZWMMNGFWTCJYKO-CHWSQXEVSA-N 276.336 1.534 0 50 CDAA CCc1nc(-c2ccc(N3CCNCC3)cc2)n(C)n1 426599597 MSLVGGPCPGOTST-UHFFFAOYSA-N 271.368 1.454 0 50 CDAA CN(C)[C@@H]1CCCN(C(=O)COc2cccnc2)CC1 221430718 LHYCSNLMLFUPJR-CYBMUJFWSA-N 277.368 1.403 0 50 CDAA COc1cc(C)sc1C(=O)N1CC[C@H](CN)C1 178581715 ZRAHTGPOZPMBGT-SECBINFHSA-N 254.355 1.486 0 50 CDAA CC(C)OCCN=c1cc([C@H]2CCOC2)nc[nH]1 426484926 WGYMKDZLGHOODS-NSHDSACASA-N 251.330 1.239 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)CCCO2 426440200 ALWGFEREVZMIPJ-ZFWWWQNUSA-N 291.347 1.545 0 50 CDAA O=C(NCc1ccccc1Cl)[C@@H]1CCc2nncn2C1 335801963 XBXLNAPBCUGBPV-LLVKDONJSA-N 290.754 1.810 0 50 CDAA O=c1c2cccn2cnn1Cc1nc(-c2ccco2)no1 95391198 BZAWCMBFRIRVKA-UHFFFAOYSA-N 283.247 1.187 0 50 CDAA CCSCCNC(=O)Nc1ccc(F)c(C(N)=O)c1 97775449 GEJKFSSXWQAOTE-UHFFFAOYSA-N 285.344 1.799 0 50 CDAA O=C1N=CNC(=O)[C@H]1c1ccc(Br)cc1 143083513 WIAOAGQDGIYGMM-UHFFFAOYSA-N 267.082 1.217 0 50 CDAA CC(C)[C@H](CO)NC(=O)c1ccc(-c2cnccn2)cc1 426485965 BPNGUTYQRNNAIB-HNNXBMFYSA-N 285.347 1.890 0 50 CDAA CCNC(=O)Nc1ccc(OC)c(NC(=O)COC)c1 96165077 AQTGFVIYJOWRQC-UHFFFAOYSA-N 281.312 1.422 0 50 CDAA CCc1nnc(N(C)Cc2nc(CC(C)C)no2)o1 95361862 XBJHTLUGRPJXGV-UHFFFAOYSA-N 265.317 1.850 0 50 CDAA Cc1cccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 245338778 ONFMNARFWUSLEU-MRVWCRGKSA-N 272.348 1.734 0 50 CDAA CO[C@@H]1CCN(C(=O)CN(C)Cc2ccc(C)cc2)C1 243893794 AUIAWZJZVMPAMX-OAHLLOKOSA-N 276.380 1.674 0 50 CDAA CN1CCN(C(=O)CC2Cc3ccccc3C2)CC1 244718684 LOYSLMYOMGYOMW-UHFFFAOYSA-N 258.365 1.566 0 50 CDAA CC[C@@H](C(=O)Nc1nccs1)N(C)CCn1cccn1 240228088 KFWRFNBIVLHFSH-NSHDSACASA-N 293.396 1.689 0 50 CDAA O=C(c1cnn2ncccc12)N1CC[C@@H]2[C@@H]1[C@@H]2C(F)(F)F 621898721 ZRTBZRIODUFEMK-WHGOUJPWSA-N 296.252 1.752 0 50 CDAA CNC(=O)CNC(=O)c1oc2cc(C)ccc2c1C 526052163 AQLVPWHNBIWTRA-UHFFFAOYSA-N 260.293 1.525 0 50 CDAA C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)[C@@H]1C 183060369 FPCSTTFTHPWYNP-NXEZZACHSA-N 283.349 1.834 0 50 CDAA Nc1nccnc1C(=O)Nc1cnc2c(c1)CCCC2 541145569 JXZSEYLWHAEHEF-UHFFFAOYSA-N 269.308 1.585 0 50 CDAA Nc1nc(N2CC(c3cccnc3)C2)cc([C@H]2C[C@@H](O)C2)n1 252568961 VRRXMPUATSIEMA-BJHJDKERSA-N 297.362 1.296 0 50 CDAA CC[C@@H](NC(=O)c1csc(C)n1)c1ncnn1CC 534644696 JWWYWNLYLQHVLV-SECBINFHSA-N 279.369 1.944 0 50 CDAA CC(C)CN1CCCN(C(=O)c2ccnnc2)CC1 372284868 FPKGPAYEAZPVGA-UHFFFAOYSA-N 262.357 1.281 0 50 CDAA O=C(NCC1(O)CCCCC1)[C@H]1CCn2nccc2C1 1857708471 VTSLWEORNADMHX-LBPRGKRZSA-N 277.368 1.257 0 50 CDAA CN(C[C@@H]1CCCO1)S(=O)(=O)CC1CCCC1 823723054 QQUJALJVFNQMIS-LBPRGKRZSA-N 261.387 1.617 0 50 CDAA Cn1cccc(C(=O)NCCCC[C@@H]2CCCO2)c1=O 584897757 WJKOXYIMQYYJRL-GFCCVEGCSA-N 278.352 1.464 0 50 CDAA CCCCc1ncc(CN2CCO[C@H](C(=O)N(C)C)C2)[nH]1 584885166 ZIDXAHGHRNVXAL-ZDUSSCGKSA-N 294.399 1.041 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cn1ccnc1C 584899271 VHHPAYRNCRNOQZ-SECBINFHSA-N 275.356 1.419 0 50 CDAA CCCc1ncncc1C(=O)NCc1nncn1CCC 670447969 SFWYQSIQEUEBMU-UHFFFAOYSA-N 288.355 1.361 0 50 CDAA C[C@@](O)(CN1CCC[C@@H](Cn2ccnn2)C1)C(F)(F)F 241587905 OYBLWSZGJUEHQP-GHMZBOCLSA-N 292.305 1.303 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)NCC2CCCCC2)[C@H]2C=C[C@H]1O2 245227994 UWOWKGPJBKLTCL-FDYHWXHSSA-N 279.336 1.337 0 50 CDAA CC(C)c1nnc(CN(C)CCc2cnn(C)c2)o1 244763998 OZJPDDGGPMJFTA-UHFFFAOYSA-N 263.345 1.601 0 50 CDAA CCC[C@H]1CN(CCn2cc(Cl)cn2)C[C@@H]1NC(C)=O 1565514737 BQKNJMKCVFPJCD-JSGCOSHPSA-N 298.818 1.773 0 50 CDAA Cc1ccccc1S(=O)(=O)Cc1nc(N(C)C)no1 408518796 AYBQEJRIDOJDRW-UHFFFAOYSA-N 281.337 1.418 0 50 CDAA Cc1cc(C(=O)NCc2cc[nH]n2)ccc1-n1cncn1 169997040 JMWRBHRXACONMX-UHFFFAOYSA-N 282.307 1.229 0 50 CDAA COc1cc(C(=O)Nc2[nH]c(=O)ncc2F)ccc1F 170088503 DUBNNXFYBUPULX-UHFFFAOYSA-N 281.218 1.309 0 50 CDAA CS(=O)(=O)Nc1ccc(F)c(Br)c1 90558391 HCVCTXOLCJFCPE-UHFFFAOYSA-N 268.107 1.960 0 50 CDAA in-vitro O=C(NC[C@@H]1CCc2nccn2C1)N1C[C@@H]2CCC[C@H]2C1 279020339 UVKZVLXTKRQMMF-IHRRRGAJSA-N 288.395 1.887 0 50 CDAA CC[S@@](C)(=O)=NS(=O)(=O)Oc1ccc(OC)cc1 585115224 ROLCGABNARGGMK-QGZVFWFLSA-N 293.366 1.437 0 50 CDAA Cc1cc(NC(=O)c2cnn[nH]2)nn1[C@@H](C)C1CC1 680228132 QCVJLQOYZCVYSU-QMMMGPOBSA-N 260.301 1.533 0 50 CDAA CCCc1nc(C)c(C(=O)N2CC(n3ccnc3)C2)o1 551166689 UCUMVZCPNQPJTA-UHFFFAOYSA-N 274.324 1.829 0 50 CDAA C[C@H]1CN(Cc2cccc3c2CCOC3)C[C@@H](CO)O1 639606946 OEPIRAMYWQFNJE-WFASDCNBSA-N 277.364 1.341 0 50 CDAA CCc1nn(C)c(OC)c1CNC(=O)[C@@H]1CCCO[C@H]1C 189964879 BMFUKCWMABPWKT-WDEREUQCSA-N 295.383 1.422 0 50 CDAA Cc1ccc(F)c(NC(=O)[C@H]2CC[C@H](C(=O)O)O2)c1 191159418 DBBYGCYYADOUKK-GHMZBOCLSA-N 267.256 1.705 0 50 CDAA C[C@H](O)C(=O)N1CCc2cc(Br)ccc2C1 191590169 RDNRMGNWERTRTH-QMMMGPOBSA-N 284.153 1.715 0 50 CDAA COc1cccc(CS(=O)(=O)C[C@H]2CCOC2)c1 193863258 FOEPHBHNVCPHGK-LBPRGKRZSA-N 270.350 1.647 0 50 CDAA c1ccc([C@H]2CN(CCn3cnnc3)CCO2)cc1 1506419643 UJWNTBYOJDSHAW-CQSZACIVSA-N 258.325 1.352 0 50 CDAA Cc1cccc(C[C@@H](C)Nc2cc(NCCO)ncn2)n1 1506404705 ABHWPWRHGCXGRG-GFCCVEGCSA-N 287.367 1.627 0 50 CDAA C[C@H](c1ccccc1)n1nccc1NC(=O)CCN 1529091884 RXYXDLBGOKDEIM-LLVKDONJSA-N 258.325 1.780 0 50 CDAA COCC(=O)N1CC[C@](C)(O)[C@H](Cc2ccccc2)C1 216995707 JVGAFGWGGYBEDL-ZBFHGGJFSA-N 277.364 1.475 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)C1 219521436 PXXMYBAAABMOTM-VXGBXAGGSA-N 260.403 1.695 0 50 CDAA Cc1ncc(Cl)c(N(C)Cc2noc(C)n2)n1 1704316561 VAOZVVHLFGGLFR-UHFFFAOYSA-N 253.693 1.766 0 50 CDAA Cc1cccc(NC(=O)CCN2C(=O)CCC2=O)c1C 7070226 XPCJYPBXCBWRIS-UHFFFAOYSA-N 274.320 1.781 0 50 CDAA Cc1ccc(CCC(=O)N2CCC[C@H](C(=O)O)C2)o1 237676681 SQBQIWNWLBHDSS-NSHDSACASA-N 265.309 1.844 0 50 CDAA CC[C@H](C)OCC(=O)N1CCC(CC(=O)OC)CC1 337464418 RIWCPDQZRZTPKW-NSHDSACASA-N 271.357 1.603 0 50 CDAA CC[C@H]1CN(C(=O)C(C)C)C[C@@]2(CCCOC2)O1 373613194 OZJBFYOJEIKQFX-GXTWGEPZSA-N 255.358 1.829 0 50 CDAA CN1C[C@@H](CN2CCN(c3ccccc3)CC2)CCC1=O 1772810806 MDCAZCFHMQGCJH-HNNXBMFYSA-N 287.407 1.677 0 50 CDAA CCN(CC)C(=O)[C@H](C)OC(=O)c1ccc(O)cc1 16091274 LSPIQGHSKHAHRT-JTQLQIEISA-N 265.309 1.806 0 50 CDAA CC(C)CN1CCN(CCCn2cccn2)C[C@@H]1CCO 19227992 JULKFGCENXZHFE-INIZCTEOSA-N 294.443 1.298 0 50 CDAA COC(=O)CC(CC(=O)OC)c1ccc(OC)c(OC)c1 19625167 YNJPFZFJYDJSSM-UHFFFAOYSA-N 296.319 1.914 0 50 CDAA biogenic,in-vitro Cn1cnnc1NC(=O)c1ccc(Br)cn1 164069460 YENKGLSUMWJXPX-UHFFFAOYSA-N 282.101 1.225 0 50 CDAA C[C@@]1(C(=O)N[C@H]2CC[C@H](O)CC2)CC12CCNCC2 1857684239 FAVZOMLQHOUWKR-OBJOEFQTSA-N 266.385 1.186 0 50 CDAA Cc1ccccc1CC1(NC(=O)[C@H]2C[C@@H](O)C2)CC1 1857685626 MRUXTHQLDOWIAV-OKILXGFUSA-N 259.349 1.957 0 50 CDAA Cc1cnnc(N2CCC[C@@H](CN3CCOCC3)C2)c1C 1857668727 HZMVUSWXYPECOQ-HNNXBMFYSA-N 290.411 1.642 0 50 CDAA CC1(C)CC[C@H](N2CCc3c(O)nc(=N)[nH]c3C2)C1 1857677345 XGEIMXORQRSLKK-VIFPVBQESA-N 262.357 1.532 0 50 CDAA CCn1ccnc1[C@H](N[C@@H]1CCOC1)C1CCOCC1 343404301 RBLRTXMSFDCKSG-ZIAGYGMSSA-N 279.384 1.749 0 50 CDAA CC[C@](C)(C(=O)OC)N(Cc1nonc1C)CC1CC1 408524916 YXGLHOSVDGATCK-CQSZACIVSA-N 281.356 1.932 0 50 CDAA CCOC(=O)C[C@@H]1NCCC[C@H]1NC(=O)OC(C)(C)C 4203237 JWIFFLUEVLMGJF-MNOVXSKESA-N 286.372 1.585 0 50 CDAA in-vitro CC1(C)CCCN[C@H]1CNC(=O)COc1ccccc1 232968416 VUOSCEHRSZIWEH-AWEZNQCLSA-N 276.380 1.960 0 50 CDAA CCc1cccc2c1N(C(=O)c1cccc(C(N)=O)n1)CC2 541013010 DBFBHZGDFFGWQU-UHFFFAOYSA-N 295.342 1.946 0 50 CDAA CCOc1ncccc1C(=O)N1CCC[C@@H](C(=O)O)C1 237006375 WFASYQLFIJATHQ-SNVBAGLBSA-N 278.308 1.417 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@@](C)(C(=O)O)C1 237412943 WIJATZDIMNHUTE-RMLUDKJBSA-N 280.324 1.718 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 239203326 SDOCVRCDRWCALS-FJJYHAOUSA-N 277.320 1.186 0 50 CDAA biogenic,in-vitro CCN1CN(C(=O)NC[C@@H](C)c2nc(C)cs2)CC1=O 252501878 UKCKGZTZZGGKGO-SECBINFHSA-N 296.396 1.386 0 50 CDAA CCCN(CC(=O)O)C(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 253369427 CIOUUXNVZKBXME-XZPDDHLCSA-N 251.326 1.602 0 50 CDAA COc1cccc([C@H](C)C(=O)N2CCC[C@@H](N)C2)c1 157855846 OPYIJWUQUAEWCE-WCQYABFASA-N 262.353 1.748 0 50 CDAA C=CC(=O)N(CC)CC(=O)Nc1ccc2c(c1)CCCO2 900494429 RNDXBZUCESLCAW-UHFFFAOYSA-N 288.347 1.985 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2nnc(CC)s2)C[C@H]1O 1704304042 MJCREFSHIBNNEC-RNCFNFMXSA-N 299.396 1.543 0 50 CDAA Cc1nocc1NC(=O)NC[C@@H]1CCCN1CC(F)F 931813454 YINYTLSOWFFPSK-VIFPVBQESA-N 288.298 1.834 0 50 CDAA CC(=O)N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 952849921 HZWSSOAWJBMIIY-NEPJUHHUSA-N 262.357 1.900 0 50 CDAA Cc1nc(C)c(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)o1 952849246 URACSBHNFVAPKJ-NWDGAFQWSA-N 290.323 1.744 0 50 CDAA C[C@@H](NC(=O)c1ccc([C@@H]2CCCN2)s1)C(=O)O 1875280032 QNAHKDKTPSZBKT-SFYZADRCSA-N 268.338 1.376 0 50 CDAA O=C(N[C@H]1C[C@@H](CO)[C@@H]2C[C@H]12)c1nnc2ccccc2c1O 1875313633 UXXQZISFUPMGSJ-DJFWLOJKSA-N 299.330 1.082 0 50 CDAA c1cc2c(cn1)N1CC[C@@H](C1)N2C[C@@H]1[C@@H]2CCOC[C@@H]21 1875356568 QRGDWFLCCCLARQ-FQUUOJAGSA-N 271.364 1.763 0 50 CDAA C=CC(=O)N[C@@H]1CCCN(c2cnc3ccccc3n2)C1 1875375385 AXLWJNDBOCBNED-GFCCVEGCSA-N 282.347 1.901 0 50 CDAA CCS(=O)(=O)N(C)Cc1ccc(-c2ccccn2)nc1 886093428 MXOWQRCQVLQOJE-UHFFFAOYSA-N 291.376 1.925 0 50 CDAA Cc1ncc2c(n1)CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O 958749680 SYKBATIHPBKJBP-JTQLQIEISA-N 279.296 1.661 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)o1 237990790 OFKFTTHGBFUJEQ-BDAKNGLRSA-N 267.281 1.259 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N2C[C@H](C(=O)O)c3ccccc32)O1 155498395 MLLIJIHVXWWDQM-CDMKHQONSA-N 275.304 1.769 0 50 CDAA C[C@@H](C(=O)O)N(C(=O)c1ccc(F)cn1)C1CC1 262781871 ODKRACWKVVKDSX-ZETCQYMHSA-N 252.245 1.298 0 50 CDAA C[C@@H](O)c1cn(Cc2ccc3ncccc3c2)nn1 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O=C(O)c1ccc(CNC(=O)c2cnn(CC3CC3)c2)cc1 630096150 IJBILWRAKMCICH-UHFFFAOYSA-N 299.330 1.921 0 50 CDAA Cc1cc(CNC(=O)c2ccnn2CC2CCC2)no1 630826422 QMOVNNPWQNSYDU-UHFFFAOYSA-N 274.324 1.910 0 50 CDAA C[C@H](c1cccnc1)N(C)C(=O)c1ccc2c(c1)B(O)OC2 584940628 WAUZINGMCOFUDB-LLVKDONJSA-N 296.135 1.133 0 50 CDAA C[C@H](CC(=O)NCCn1ccnn1)Cc1cccc(F)c1 584908514 YFCBHPVNNHZPOJ-LBPRGKRZSA-N 290.342 1.802 0 50 CDAA CN(Cc1cccs1)C(=O)COCc1cn[nH]c1 585123025 QUJCOGWABJBHJU-UHFFFAOYSA-N 265.338 1.646 0 50 CDAA C[C@H]1CN(C)c2ccccc2N(C(=O)[C@H]2CNCCO2)C1 187452751 SYCKUWLRKNRUSW-SWLSCSKDSA-N 289.379 1.094 0 50 CDAA NC(=O)NCCC(=O)N1CCN(C2CC2)c2ccccc21 187541914 GCUJCEHOMJYJKQ-UHFFFAOYSA-N 288.351 1.060 0 50 CDAA CCN(CC(N)=O)C(=O)C(F)(F)c1ccccc1 189699660 OECDOTNDSCRULO-UHFFFAOYSA-N 256.252 1.112 0 50 CDAA COc1ccccc1CN(C(=O)c1n[nH]nc1C)C1CC1 189881281 IKZDBDBSNRQRIN-UHFFFAOYSA-N 286.335 1.927 0 50 CDAA COc1ncccc1OCc1nnc([C@@H]2CCCOC2)o1 643648880 ZHQRDKOZEKXMIR-SNVBAGLBSA-N 291.307 1.946 0 50 CDAA CN1CC[C@]2(CCN(Cc3ccc(N(C)C)nc3)C2)C1 644843077 NILNUHUARCBRLM-INIZCTEOSA-N 274.412 1.675 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2OC(C)(C)O[C@H]2[C@H]1C(=O)O 197010585 FRDGVQODRPFOOR-XHNCKOQMSA-N 287.312 1.210 0 50 CDAA Cc1cc(C(=O)OCc2nc(O)n[nH]2)c(F)cc1F 774961012 GFZNSIOBJIHVBX-UHFFFAOYSA-N 269.207 1.454 0 50 CDAA O=C(CN1CCC(c2cnco2)CC1)NCC1CC1 1615550739 MEAJKIMVAYUFQN-UHFFFAOYSA-N 263.341 1.380 0 50 CDAA COc1ccc(CC(=O)NC[C@H]2CCCO2)cc1OC 209641 MXATUNZBBVVKIE-GFCCVEGCSA-N 279.336 1.542 0 50 CDAA biogenic c1ccc(N2CC[C@@H](NCCc3ncc[nH]3)C2)cc1 1506418394 XNDDXDYHSKOLPQ-CYBMUJFWSA-N 256.353 1.821 0 50 CDAA CC(C)(C)[C@H]1CN(C(=O)CN)C[C@@H](c2ccccc2)O1 1529089566 ANRALZMIPQTQSF-UONOGXRCSA-N 276.380 1.960 0 50 CDAA NC(=O)[C@@H]1CCCCN1c1ncc(Br)cn1 111751865 KVHSNEPGNKNDTF-QMMMGPOBSA-N 285.145 1.083 0 50 CDAA CC[C@@H](CO)N(Cc1cccnc1)Cc1nc(C)no1 1529152622 VITQAOFBBPTMCF-ZDUSSCGKSA-N 276.340 1.546 0 50 CDAA O=C(c1scc2c1CCCC2)N1C[C@H](O)CO1 1857694256 HVFXEZXEKDTIMD-VIFPVBQESA-N 253.323 1.375 0 50 CDAA Cc1ccc2nc(N3C[C@@H](C(N)=O)CC3=O)sc2c1 1857695507 MHYVNTWPJTXDMK-QMMMGPOBSA-N 275.333 1.443 0 50 CDAA Cc1cccc(C)c1CNC(=O)[C@]12CNC[C@H]1CCOC2 1615614840 LVXMQOQGXBHNBO-PBHICJAKSA-N 288.391 1.546 0 50 CDAA COc1ccnc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 1704344192 QIFLREUJHVEGLM-CHWSQXEVSA-N 286.335 1.550 0 50 CDAA CNC(=O)c1cccnc1NC[C@H](C)N1CCCC1 1704346956 DAAPQKVYMFCUHM-NSHDSACASA-N 262.357 1.337 0 50 CDAA C[C@H](NS(C)(=O)=O)c1nc(C2CCCCC2)no1 225428042 ZWYXLFBKTCJRBD-QMMMGPOBSA-N 273.358 1.728 0 50 CDAA C[C@@H]1CN(C(=O)CC[C@@H](N)c2ccccc2)CCN1 237414055 IDTYUZQYQNTBGV-TZMCWYRMSA-N 261.369 1.287 0 50 CDAA Cc1nc(C[C@@H]2CC2(F)F)n(-c2cnn(C)c2)n1 1772808727 ABGKLCGAWMUKJJ-MRVPVSSYSA-N 253.256 1.507 0 50 CDAA Cn1nnc2c(-n3ccnc3-c3cc[nH]n3)cccc21 1772809510 CRHQUTUYTHZNFC-UHFFFAOYSA-N 265.280 1.544 0 50 CDAA CCn1cc(CNc2ncc(F)c(N(C)C)n2)c(C)n1 1772703042 GJLWSVYXGMXKAC-UHFFFAOYSA-N 278.335 1.819 0 50 CDAA c1ccc(CN2CCN(CC[C@H]3COCCO3)CC2)cc1 1775979230 JMXWXCCBTCRCFP-KRWDZBQOSA-N 290.407 1.610 0 50 CDAA COCC(=O)N1CCC(CO)(CCc2ccccc2)CC1 12089927 WCXHEZOLQJODRF-UHFFFAOYSA-N 291.391 1.867 0 50 CDAA CCN(CC)C(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 12138877 HBGCCSJGVXGWQH-MDZDMXLPSA-N 290.319 1.748 0 50 CDAA CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 16626612 NMSDKDBCNUITQD-UHFFFAOYSA-N 288.344 1.216 0 50 CDAA COc1cccc(C=O)c1OCCN1CCOCC1 19201168 WWOLOKZLMZZKJY-UHFFFAOYSA-N 265.309 1.219 0 50 CDAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)C1Cc2ccccc2C1 616775736 XJPAMVZLJPJBMB-ARFHVFGLSA-N 297.358 1.089 0 50 CDAA CCN1CCN(C(=O)[C@H]2CCCCO2)C[C@H]1c1ncc[nH]1 328640581 XMYSCDVVPYADAC-QWHCGFSZSA-N 292.383 1.184 0 50 CDAA O=C(C[C@@H]1CCOC1)N[C@@H](C(=O)O)c1cc(F)ccc1F 739220739 CAMNBNAJWFZQJE-ISVAXAHUSA-N 299.273 1.633 0 50 CDAA C[C@]1(CNC(=O)CCc2ccc(F)cc2)CCC(=O)N1 457176935 RAAMVINELLEVBY-OAHLLOKOSA-N 278.327 1.543 0 50 CDAA COC(=O)C1(C(=O)NCc2nc3ccccc3[nH]2)CC1 133934635 MGFHFDASZHUDSI-UHFFFAOYSA-N 273.292 1.132 0 50 CDAA CCOc1cc(N2CCN(c3ccccn3)CC2)ncn1 135991339 MMOSNUILSGCPOD-UHFFFAOYSA-N 285.351 1.597 0 50 CDAA NC(=O)N1CC[C@@H](NC(=O)c2coc3ccccc23)C1 265135968 TYVKERPQHNCJDE-SECBINFHSA-N 273.292 1.316 0 50 CDAA C[C@]1(O)CC2(CCN(Cc3ccsc3)CC2)OC[C@@H]1O 1704297560 TVAZVDUDLLBFIQ-KBPBESRZSA-N 297.420 1.615 0 50 CDAA O=C(NOC[C@@H]1CCOC1)[C@]1(c2ccccc2)C[C@H](O)C1 828873692 NKYFCGRWQYTUOK-XPKDYRNWSA-N 291.347 1.163 0 50 CDAA CCc1nnc(CN2CCC(c3ncco3)CC2)o1 931451227 UFECPMGBBDBFTI-UHFFFAOYSA-N 262.313 2.000 0 50 CDAA CC[C@@H](O)CN1CC(C)(c2nnc(-c3cccnc3)o2)C1 854079172 JWOIRMNDNPPKGO-GFCCVEGCSA-N 288.351 1.476 0 50 CDAA CC[C@H](C)CN1CCC(O)(c2ccnn2C)CC1 952882503 RMZWHQLKYFISQZ-LBPRGKRZSA-N 251.374 1.750 0 50 CDAA COc1cc(CN(C)C(=O)Cc2ccco2)sn1 952995780 YRWRSDDKHJQNGP-UHFFFAOYSA-N 266.322 1.946 0 50 CDAA C[C@H](ONC(=O)[C@H]1CC(C2CC2)=NO1)c1ccncc1 1875298218 RZAABSLVRJXGIP-TVQRCGJNSA-N 275.308 1.745 0 50 CDAA Nc1nc(Cl)nc2c1ncn2CCO[C@H]1CCCCO1 1875279012 JCASMNUMXWPSNT-QMMMGPOBSA-N 297.746 1.605 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H]1CCOc2ccccc2C1 1875377343 XWUUGBMVWONAQD-LHRNQBEKSA-N 274.364 1.614 0 50 CDAA CC(C)C[C@@H](CCO)NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C 1875300713 OJAPDFGGXOTWKK-OUAUKWLOSA-N 271.357 1.257 0 50 CDAA Cc1cc(C(=O)NC2(C(C)(C)C(=O)O)CCC2)n[nH]1 1875340803 SDWRSWMLGOXEPP-UHFFFAOYSA-N 265.313 1.481 0 50 CDAA O=C1CCC[C@@H](C(=O)NCc2ccc(-c3cnco3)cc2)N1 888094297 IOCKEHCJEQWUIY-ZDUSSCGKSA-N 299.330 1.627 0 50 CDAA COc1cc(CN[C@@H]2CN3CCC2CC3)cc(OC)c1 19948350 AITUAHIRCSIPTC-MRXNPFEDSA-N 276.380 1.888 0 50 CDAA O=C([C@H]1CSCCS1)N1CC[C@@]2(CO)CCC[C@@H]12 899438087 HKHNOOLIKAYWES-NQBHXWOUSA-N 287.450 1.599 0 50 CDAA OC[C@@H]1CCN(Cc2nc(C3CCCC3)no2)C1 154128981 GCYKLAGSWMEDPS-SNVBAGLBSA-N 251.330 1.541 0 50 CDAA C[C@@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)[C@H](C)CO1 263301066 DEZBSDXULXQRQF-GHMZBOCLSA-N 277.320 1.563 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2cc(C(F)(F)F)ccn2)C1 311903339 CTZJANPXEGICGG-UWVGGRQHSA-N 276.258 1.686 0 50 CDAA CC(C)(C)n1cc(CN[C@H](CO)c2ccsc2)nn1 359671530 GAWIXTVEINECNI-GFCCVEGCSA-N 280.397 1.918 0 50 CDAA O=C(O)CCN(CC1CC1)C(=O)c1ccc(F)cn1 683304394 JOVMEGOXMFVQHZ-UHFFFAOYSA-N 266.272 1.548 0 50 CDAA c1cnc2nc(N3CCC[C@]34CCNC4)ccc2n1 900452623 UZZLDRCQWSEKFK-CQSZACIVSA-N 255.325 1.357 0 50 CDAA Fc1cc(F)cc(-c2nc(N3CCOCC3)n[nH]2)c1 2100557639 XLPDZXJAEZNCAY-UHFFFAOYSA-N 266.251 1.587 0 50 CDAA C[C@@H]1CC(=O)N[C@@H]1C(=O)N1CCC=C(c2ccccc2)C1 2325767657 NVEGNQPKVJBFQZ-WBMJQRKESA-N 284.359 1.827 0 50 CDAA O=C([C@@H]1[C@H]2CC(F)(F)C[C@H]21)N1CCCc2nn[nH]c21 2325789896 VCXJVTOWIWSEBN-QMSLJYSESA-N 268.267 1.375 0 50 CDAA Cn1nccc1-c1ccnc(N2CCOC[C@@H]2CF)n1 2325890758 LDSDAMVLAJSHEM-JTQLQIEISA-N 277.303 1.052 0 50 CDAA CN1C(=O)C(C)(C)c2cc(C(=O)Nc3cnn[nH]3)ccc21 935595396 FBJFWYVTWLKTOL-UHFFFAOYSA-N 285.307 1.311 0 50 CDAA COc1ccc(NC(=O)c2cnn3cccnc23)cc1OC 211035 IUTFRDAABYLLJP-UHFFFAOYSA-N 298.302 1.999 0 50 CDAA Cc1cc(Br)ccc1-[n+]1cc(=O)o[nH]1 390065 LXRJYVSKUROGRU-UHFFFAOYSA-O 256.079 1.316 0 50 CDAA COc1cccc(OC)c1OCCCNC[C@H](C)O 2880969 KYTHIKNEZDLFAM-NSHDSACASA-N 269.341 1.443 0 50 CDAA CCN(CC)C(=O)CCn1c(=O)oc2ccccc21 4121511 QDUYWBRLVJGBSA-UHFFFAOYSA-N 262.309 1.853 0 50 CDAA COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4C[C@H]2C[C@H]34)cc1 4975372 OXPKZJGYHZGSIU-IFVOIRTQSA-N 287.315 1.831 0 50 CDAA COc1ccc(NC(=O)NCCN2CCCC2)cc1 6819218 PNOLXCFRYFMNSC-UHFFFAOYSA-N 263.341 1.913 0 50 CDAA CO[C@H](C)CS(=O)(=O)Nc1ccccc1N(C)C 225399500 URXABBYTVLVELE-SNVBAGLBSA-N 272.370 1.529 0 50 CDAA O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(CCn2cccn2)C1 225520847 KDCOGIXRJNVITF-WFASDCNBSA-N 293.317 1.969 0 50 CDAA CO[C@H]1CCCN(C(=O)[C@H]2CCCC23OCCO3)C1 225809270 AKBKHNWJOGQWNP-NWDGAFQWSA-N 269.341 1.167 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@]23C=C[C@@]12CC(C)(C)C3 104291807 JREVYNUBLHSBBO-DPDCMNJDSA-N 285.347 1.377 0 50 CDAA CN1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)s1 23541887 BXNBHHKLWIRUBG-NSHDSACASA-N 280.393 1.987 0 50 CDAA COc1cc(CN2CCC[C@H](CO)C2)ccc1O 23115118 NZFPAOIVNXCIEP-LBPRGKRZSA-N 251.326 1.605 0 50 CDAA O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1 55069844 RAABDWOLDAIKPN-UHFFFAOYSA-N 297.362 1.237 0 50 CDAA CCOc1ccc2[nH]c(=O)c(CN3CC(O)C3)cc2c1 67743067 SQMOCPDVXGHHNE-UHFFFAOYSA-N 274.320 1.103 0 50 CDAA CN1CCN(CCOc2ccc3c(c2)CCC3)CC1 20652521 WTNJGBOBOZXTTD-UHFFFAOYSA-N 260.381 1.802 0 50 CDAA CCc1nc(C)sc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074565235 CTIWVCJBMKBZBP-JMJZKYOTSA-N 266.366 1.921 0 50 CDAA CNCc1n[nH]c(=O)n1-c1cccc(Cl)c1Cl 65406966 ATTTZHBLAUPCJW-UHFFFAOYSA-N 273.123 1.587 0 50 CDAA Cc1cc(C)nc(NCCCN2CCC[C@H](O)C2)n1 65431297 YQMNLKUAAXWZNL-ZDUSSCGKSA-N 264.373 1.352 0 50 CDAA CN(C)c1cc(NC(=O)[C@@H]2OCCc3ccccc32)ncn1 280676824 AEONPPZZRPITML-OAHLLOKOSA-N 298.346 1.795 0 50 CDAA O=S(=O)([C@H]1CCOC1)N1CCC[C@@H]1c1ccco1 229711026 PIHQNXHBEQTLQR-WDEREUQCSA-N 271.338 1.535 0 50 CDAA CNCCc1noc(COc2ccccc2F)n1 66323478 QSMDQWNPTTUVSM-UHFFFAOYSA-N 251.261 1.550 0 50 CDAA COc1cccc(O[C@H](C)C(=O)N2CCN(C)CC2)c1 33359621 PFXWPFUKOIGYSF-GFCCVEGCSA-N 278.352 1.237 0 50 CDAA CCCc1cncnc1N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(C)=O 219354590 ALNOZCGYLZZNIW-XJFOESAGSA-N 290.367 1.133 0 50 CDAA Cc1nnc([C@H](C)NC(=O)c2cc(F)ccc2O)o1 219340862 KGDWOGRFASNINW-LURJTMIESA-N 265.244 1.714 0 50 CDAA NC(=O)CN1CCO[C@@H](Cc2cccc3ccccc23)C1 71738767 GJYVNNPNPUTVNW-HNNXBMFYSA-N 284.359 1.568 0 50 CDAA COC[C@@H](O)CN1CCC[C@@H](N(C(C)=O)C2CCC2)CC1 328627677 GLYXGRRTSAGYSZ-CVEARBPZSA-N 298.427 1.249 0 50 CDAA O=C(O)Cc1cc(Br)ccc1C(=O)O 71250911 WDKVNGVXRHWUEQ-UHFFFAOYSA-N 259.055 1.774 0 50 CDAA O=C(NC[C@H](O)Cc1ccccc1)Nc1ccc(F)cn1 123219949 JIDWRFXRMWNSQO-CYBMUJFWSA-N 289.310 1.946 0 50 CDAA CCC(CC)N1C[C@H](C(=O)N(C)Cc2cc[nH]n2)CC1=O 330729273 HFQLBHPQSJQCHF-LLVKDONJSA-N 292.383 1.405 0 50 CDAA O=C(c1ccc2nc(S)oc2c1)N1CCC[C@@H]1CO 153933626 UFZOXXLFMJRRFR-SECBINFHSA-N 278.333 1.713 0 50 CDAA Cc1ncc(S(=O)(=O)NCC[C@H]2CCCCO2)s1 329373056 JSKXXDFSUUOUGF-SNVBAGLBSA-N 290.410 1.689 0 50 CDAA Cc1ccn(-c2ccc(N3CCC[C@](F)(CO)C3)nn2)n1 376187676 LPOZPBYHZDIHGQ-CQSZACIVSA-N 291.330 1.272 0 50 CDAA O[C@@H]1COCCN(Cc2ccc(F)c(F)c2F)C1 77406214 PYECJNUTTHBIKJ-VIFPVBQESA-N 261.243 1.297 0 50 CDAA CC[C@@]1(O)CCN(c2ccnc(N3CCCCC3)n2)C1 490053735 MQKAOKMCSCRIPA-OAHLLOKOSA-N 276.384 1.818 0 50 CDAA O=C(N[C@H]1CCc2c[nH]nc2C1)[C@@H]1CCOc2ccccc21 332911960 LIXYAGLIUAGOIL-GXTWGEPZSA-N 297.358 1.950 0 50 CDAA CNC(=O)Cc1noc(Cc2ccc(O)cc2Cl)n1 132018058 NPLPWSMYIZCZNO-UHFFFAOYSA-N 281.699 1.308 0 50 CDAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CN2CCC1CC2 240540880 GPXXOKMAIMUDTG-VHDGCEQUSA-N 277.412 1.023 0 50 CDAA C[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)NC[C@H]1CCCO1 241961352 URRVTEZRCXBMGK-ZOBORPQBSA-N 294.399 1.106 0 50 CDAA C[C@H]1CN(C(=O)c2cnnn2C)C[C@H](c2ccsc2)O1 241911294 UBHQYNJENRTYJS-JOYOIKCWSA-N 292.364 1.479 0 50 CDAA COC(=O)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1 79035520 BGVYDBFINWQMMD-LBPRGKRZSA-N 261.293 1.899 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 334371858 QNNMMNYSASFZLW-QWHCGFSZSA-N 275.283 1.497 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(F)F)[C@H](CC)C1 262538686 KPAFUXLKODNQTH-LOWVWBTDSA-N 291.386 1.548 0 50 CDAA O=C(O)[C@H]1CC12CCN(C(=O)CCc1ccccn1)CC2 262529280 PFNYJKRBPUSMJT-CYBMUJFWSA-N 288.347 1.728 0 50 CDAA O=C(NC[C@@H](C(=O)O)c1ccc(F)cc1)[C@@H]1CCCCO1 262851366 HWDLEVOHGRYQAN-OLZOCXBDSA-N 295.310 1.679 0 50 CDAA Cc1nc(=N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)s[nH]1 521394812 GNHURZQPTUADCL-YPMHNXCESA-N 288.376 1.700 0 50 CDAA CCc1cc(N2C[C@H](C)N(CCO)[C@H](C)C2)nc(C)n1 450799398 WXCOFFSQQDFVPZ-TXEJJXNPSA-N 278.400 1.239 0 50 CDAA CCC[C@H](NC(=O)c1cc(C)nc(Cl)c1)c1nnn[nH]1 130727884 SAZMXDCPSCSONL-VIFPVBQESA-N 294.746 1.828 0 50 CDAA CCc1cnc(NC(=O)N[C@@H](C)CN2CCCC2=O)s1 174215343 QPFDRJXYOYFFFL-VIFPVBQESA-N 296.396 1.838 0 50 CDAA C[C@@H](Oc1ccccc1)C(=O)NCCCN1CCOCC1 47465830 QBEYHHHOPDYLBI-CQSZACIVSA-N 292.379 1.292 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1c[nH]c(C)n1 286785783 JMWNDDJHNCXYLE-KWCYVHTRSA-N 293.367 1.374 0 50 CDAA CCOC[C@@H]1CN(C(=O)NCC[C@H](C)F)CCO1 527970561 ZOOPLECYNFSSIY-QWRGUYRKSA-N 262.325 1.181 0 50 CDAA C[C@H](Cn1cccn1)C(=O)NCCCOc1cccnc1 426370219 BSKRSGBOKCYYAQ-CYBMUJFWSA-N 288.351 1.500 0 50 CDAA CCO[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)c1ccccc1 178271344 AZFBLVRYLXOIDD-CHWSQXEVSA-N 277.320 1.697 0 50 CDAA Cc1nc(C2CC(O)C2)cc(N2CCn3cccc3C2)n1 222274107 IAHSIIDFHVSIHP-UHFFFAOYSA-N 284.363 1.845 0 50 CDAA Cc1cnc(C(=O)N2CCC[C@H](C(C)(C)O)C2)[nH]1 221268203 ZYLRTDXVGHXSHW-JTQLQIEISA-N 251.330 1.341 0 50 CDAA CC[C@@H](c1cccnc1)N(C)C(=O)CN1CCN(C)C1=O 426739634 FNOMYRONDXAJNQ-ZDUSSCGKSA-N 290.367 1.359 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)n1 239403302 RSOCNUKPESVLTB-OOAGNDBOSA-N 280.327 1.948 0 50 CDAA CCN(C[C@@H]1CCCCO1)C(=O)c1cnc(OC)nc1 426479171 ZGOTVWDJHARHBQ-LBPRGKRZSA-N 279.340 1.516 0 50 CDAA CN(CCc1cccc2ccccc12)C(=O)[C@@H]1C[C@H](O)CN1 239722534 CDDYEFDSBDEFEM-RDJZCZTQSA-N 298.386 1.564 0 50 CDAA CCC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1 294114043 JQNJVBJZXHEBIR-CYBMUJFWSA-N 260.337 1.356 0 50 CDAA CCN(CCOC)C(=O)[C@@H](c1ccc(F)cc1)N(C)C 95388032 GFUHWVFLWUJRFJ-CQSZACIVSA-N 282.359 1.923 0 50 CDAA CCCc1cc(C(=O)NCCn2nc(C)nc2C)[nH]n1 91486891 FULNFDBKNMBOLV-UHFFFAOYSA-N 276.344 1.001 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91738423 VFDCQWRWAUHACB-KGLIPLIRSA-N 276.384 1.155 0 50 CDAA Cc1cc(C)n(CCNC(=O)C[C@H]2CCCOC2)n1 97301484 XYHJYSSIAOJOGV-CYBMUJFWSA-N 265.357 1.433 0 50 CDAA CNc1nc(C)cc(C(=O)N(C)C(C)(C)COC)n1 293906278 HPKQJMRBOSJNTR-UHFFFAOYSA-N 266.345 1.324 0 50 CDAA COCCC[C@H]1CCCN(CCn2cncn2)C1 244840313 UKWOBQQHHHMJIA-CYBMUJFWSA-N 252.362 1.417 0 50 CDAA CC=NNC(=O)CCNC(=O)c1ccccc1Cl 254288618 MVMGHBXKEDKNDU-UHFFFAOYSA-N 267.716 1.582 0 50 CDAA Cc1cn(C)nc1C(=O)N(C)Cc1noc(C2CC2)n1 622719701 SGJACGMZFHABOQ-UHFFFAOYSA-N 275.312 1.261 0 50 CDAA CC1=C[C@@H]2[C@@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 253591372 MTLZTPKNVYBKCV-GBJTYRQASA-N 293.326 1.659 0 50 CDAA C[C@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccnnc1 297516999 XSUSMBBGLSIPGS-WCQYABFASA-N 275.356 1.567 0 50 CDAA O=C1C[C@@H](n2nc(-c3ccco3)oc2=S)[C@H]2CO[C@H]1O2 254407345 BOGUVYJQFALYGX-CGYDSVCVSA-N 294.288 1.721 0 50 CDAA COCCN(Cc1ccsc1)C(=O)[C@@H]1C=CCN1 534664000 ROSSQBPWQBFYIA-LBPRGKRZSA-N 266.366 1.251 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1cccc(OC)c1F 534586849 ZLEQSHUPSDBZRA-JQWIXIFHSA-N 283.299 1.368 0 50 CDAA COC(=O)N1CCCC[C@H]1C(=O)NC1(CO)CCCCC1 534644738 PMVYIEKRHHICAN-LBPRGKRZSA-N 298.383 1.419 0 50 CDAA O=C(O)[C@H]1CCCN(Cc2cnn3cccnc23)C1 534674537 URDDMSANAPCDKJ-JTQLQIEISA-N 260.297 1.026 0 50 CDAA Cc1nn(C(C)C)c(C)c1C(=O)NCCc1nccn1C 299773656 FDXKSPLUCIJWNU-UHFFFAOYSA-N 289.383 1.787 0 50 CDAA CCCNc1ccccc1C(=O)N[C@@H]1CC(=O)N(CC)C1 391586063 WJIQPBZIULIOIP-GFCCVEGCSA-N 289.379 1.859 0 50 CDAA CCn1nc(-c2ccco2)nc1C[C@H](C)N1CCOCC1 823600814 XQYAMMBVTPBBOY-LBPRGKRZSA-N 290.367 1.821 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)C(=O)Cn1ccnc1C 584900309 KDDXXWILGNMCRV-UHFFFAOYSA-N 289.383 1.623 0 50 CDAA Cc1nccn1CCNC1CSCCSC1 584904063 LNTLKNRODCVTRO-UHFFFAOYSA-N 257.428 1.630 0 50 CDAA O=C(NCCCN1CCCC[C@@H]1CO)c1cncc(F)c1 584890596 FFNUUEKJWFLWMQ-CQSZACIVSA-N 295.358 1.187 0 50 CDAA CNc1ncccc1CN1C[C@H](O)[C@@H](OC(C)C)C1 584891918 MYFAWEBYCNBEIY-STQMWFEESA-N 265.357 1.093 0 50 CDAA CN1CCC[C@@H]1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 584887386 FJPUYFAPSUQVOK-GFCCVEGCSA-N 292.770 1.927 0 50 CDAA O=C1CCCN1CCc1ncnn1-c1ccc(F)c(F)c1 670459806 LDFFARPWIAJZKO-UHFFFAOYSA-N 292.289 1.710 0 50 CDAA CCCc1noc(CN(C)[C@H]2CCNC(=O)CC2)n1 670468811 XUFWLLPTIBGHGE-SNVBAGLBSA-N 266.345 1.123 0 50 CDAA O=C1CN(Cc2cccc(O)c2Cl)CCCN1 670439649 KRZLXCOTCKXWEN-UHFFFAOYSA-N 254.717 1.368 0 50 CDAA CC1=CC[C@H]2CN(CC(=O)Nc3cnn(C)c3C)C[C@H]2C1 1565514740 FHYDWJJFHNIEGK-UONOGXRCSA-N 288.395 1.955 0 50 CDAA O=C(NCC1CCN(C(=O)CO)CC1)C1CCCCCC1 952981109 KHMJYJCSAYLBEM-UHFFFAOYSA-N 296.411 1.304 0 50 CDAA Cc1ccc(S(=O)(=O)NCCC(=O)O)c(F)c1F 629292482 NLEDIDZJRUDWSS-UHFFFAOYSA-N 279.264 1.026 0 50 CDAA CC[C@H](NC(=O)c1cnc(C)s1)[C@@H](O)C(F)(F)F 270860423 LPMFYCKANYAMEA-POYBYMJQSA-N 282.287 1.883 0 50 CDAA CC(=O)NCCCOC(=O)C[C@H]1OCCc2ccsc21 170621123 IIILLQQIQFWCSO-GFCCVEGCSA-N 297.376 1.821 0 50 CDAA CC[C@@H](SC)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 276733046 QYYAPLYGIZLNFQ-VXGBXAGGSA-N 296.440 1.377 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CCOC(=O)N2)C1 95628916 PSJVWIIBVVDMHJ-ZDUSSCGKSA-N 270.329 1.886 0 50 CDAA in-vitro CC(C)n1nccc1C(=O)N[C@@H]1CCn2ccnc2C1 547983621 XQAKSYSEFQINKG-LLVKDONJSA-N 273.340 1.405 0 50 CDAA Cc1ncc(CN2CCN([C@H](C(=O)O)C3CC3)CC2)s1 635015949 IXTWCGLBMNBUDR-ZDUSSCGKSA-N 295.408 1.432 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1COc2ccccc2C1=O 188678965 HQQXTKXNHPZXMC-CYBMUJFWSA-N 299.330 1.329 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)C[C@H]1COC(=O)C1 188696960 ZEVPIADHZBUYMC-GYSYKLTISA-N 283.368 1.507 0 50 CDAA Cc1nc(S)sc1CC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 191474708 OVMDAVQHUFJPPF-HRDYMLBCSA-N 284.406 1.719 0 50 CDAA CC[C@@H](C(=O)O)N1CCC(c2cnn(CC)c2)CC1 191430812 OSCFEWVHRLRFSZ-ZDUSSCGKSA-N 265.357 1.946 0 50 CDAA C[C@@H](O)C1CCN(C(=O)[C@@H]2NCCc3ccccc32)CC1 195543390 LNVOSNSYMLUQSS-MLGOLLRUSA-N 288.391 1.493 0 50 CDAA CN(C)S(=O)(=O)c1cnn(Cc2ncc(C3CC3)o2)c1 677653527 PJWUCWRLRSHCIY-UHFFFAOYSA-N 296.352 1.047 0 50 CDAA Cn1cc(CN2CCc3ccccc3[C@@H]2CC(=O)O)nn1 1615548000 HPRNNAZXYADCMH-AWEZNQCLSA-N 286.335 1.389 0 50 CDAA O=C(O)CCC(=O)Nc1nc(CC2CC2)ns1 1616044065 JEUGIXQEYCHWEL-UHFFFAOYSA-N 255.299 1.294 0 50 CDAA O=C(O)c1coc(NC[C@@H]2CC(=O)N(C3CCCC3)C2)n1 1506421933 LJLMRTKABKFXCL-VIFPVBQESA-N 293.323 1.576 0 50 CDAA O=C(c1cccnc1)N1CCC(N2CCSCC2)CC1 1506398266 XYNRPUFJDNJSCB-UHFFFAOYSA-N 291.420 1.735 0 50 CDAA CN(CC[C@@H]1CCCCO1)C(=O)c1cccc(O)n1 1506403086 VLDFZRZZBDCABF-NSHDSACASA-N 264.325 1.818 0 50 CDAA N=c1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)[nH][nH]1 1857692086 NPSGCXZULDSFJU-VIFPVBQESA-N 285.229 1.251 0 50 CDAA Cn1ccc(CCN[C@@H]2C[C@H](N)c3ccccc32)n1 227220875 WQOWSBRSMYISFG-LSDHHAIUSA-N 256.353 1.697 0 50 CDAA O=C(O)[C@H]1CCN(Cc2cccc(Cl)c2)C[C@H]1O 1704313040 KVESESGKOXEOFI-NWDGAFQWSA-N 269.728 1.607 0 50 CDAA COCCCn1cnnc1CNc1nc(C)ncc1Cl 1704336541 XOMXFOCIHMSEMQ-UHFFFAOYSA-N 296.762 1.679 0 50 CDAA CCOC(=O)c1nc(N)sc1Br 1104931 TWGNDRMYYDZGFI-UHFFFAOYSA-N 251.105 1.665 0 50 CDAA in-vitro Cc1ccc(C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)o1 331699209 ZAEUTXJVKPAFHF-NSHDSACASA-N 285.365 1.627 0 50 CDAA Cc1ccc(O)c(C(=O)N2CC[S@](=O)CC[C@@H]2C)c1 334482850 YCKLMJGZLHAUKV-JEOXALJRSA-N 281.377 1.684 0 50 CDAA CCOCc1nc(C2CCOCC2)nn1[C@@H]1CCOC1 1772819667 YTUQRNRJZLPNRY-GFCCVEGCSA-N 281.356 1.670 0 50 CDAA CN(C)c1ccc(CCNc2nnc(C(C)(C)N)o2)cc1 1772701259 DBMKEEGJEBSHOZ-UHFFFAOYSA-N 289.383 1.984 0 50 CDAA CCOc1ccccc1-c1n[nH]c(SCC(N)=O)n1 5686540 ONMPDFPQERFKQZ-UHFFFAOYSA-N 278.337 1.448 0 50 CDAA CCc1noc(C)c1C(=O)Nc1ccccc1C(N)=O 13326876 WWCDIXMPEZVEQR-UHFFFAOYSA-N 273.292 1.897 0 50 CDAA COC(=O)[C@H](NC(=O)c1cnccn1)c1cccc(C)c1 19300418 NINXVUASLGWBAC-CYBMUJFWSA-N 285.303 1.429 0 50 CDAA Cc1cnnc(N2CCC[C@@H](CS(C)(=O)=O)C2)c1C 1857679386 JVAKVMJLMZZOEI-GFCCVEGCSA-N 283.397 1.354 0 50 CDAA c1ccc([C@H]2CN3C[C@H](N=c4cncc[nH]4)C[C@H]3CO2)cc1 1857686360 SCYOJHKGBZLHQF-OWCLPIDISA-N 296.374 1.525 0 50 CDAA Cc1nonc1OCCNC(=O)[C@H]1CC[C@@H]2CCC[C@@H]21 1857695709 VFIXBKPGJIJLAP-SRVKXCTJSA-N 279.340 1.699 0 50 CDAA O=C(Cc1cccc(O)c1)N1CC[C@]2(CCCOC2)C1 328586929 YKQDUDXHALPUDY-MRXNPFEDSA-N 275.348 1.964 0 50 CDAA NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 113650 BAZMTMFDJLMFKM-UHFFFAOYSA-N 294.307 1.725 0 50 CDAA Cc1ccc(CCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4387481 DJNNBIJDHDMUPE-CQSZACIVSA-N 295.404 1.621 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)C[C@@H]1CCCCO1 328626941 MFRLDAQEUHZLBQ-KGLIPLIRSA-N 291.395 1.863 0 50 CDAA CO[C@@H]1CC[C@@H](NC(=O)c2cccc(C(=O)O)c2)C1 234844868 IBJKVTHUSXLDOU-VXGBXAGGSA-N 263.293 1.682 0 50 CDAA C[C@@H](C(=O)N1CCC(C(=N)O)CC1)N(C)Cc1ccoc1 330937588 APAFSALGQFRBOF-NSHDSACASA-N 293.367 1.874 0 50 CDAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC2(CCO)CC2)C1 331891048 AOLCCHUTKUKUSN-LBPRGKRZSA-N 296.411 1.302 0 50 CDAA C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN)C1 237522783 XCLYUVHVRWOJHI-OKILXGFUSA-N 289.423 1.739 0 50 CDAA CCn1nncc1CN[C@H]1CC(=O)N(C2CCCCC2)C1 557175610 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1.820 0 50 CDAA Cc1nn2c(CN[C@H]3CCOC[C@@H]3C)c(C)nc2s1 277553568 RDICGWAGQZXCEP-KWQFWETISA-N 280.397 1.922 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2C[C@H]2CO)cc1 170088808 LFPQZOQUQBTAKR-GWCFXTLKSA-N 283.393 1.643 0 50 CDAA C[C@@H]1CN(CCn2c(-c3cccs3)noc2=O)CCO1 170605588 JXFBTWNWXHRFRD-SNVBAGLBSA-N 295.364 1.286 0 50 CDAA CC[C@@]1(CO)CCCN(c2ncnc3[nH]ccc23)C1 275011779 JNLSGDNIKRSNQF-CQSZACIVSA-N 260.341 1.947 0 50 CDAA C[C@H](O)[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccoc2)C1 583974348 WNHCVOVGXMFNPQ-QWRGUYRKSA-N 289.335 1.903 0 50 CDAA O=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1O2)c1c[nH]c2ccccc12 585135346 CPWDOCWNQCQOSV-OASPWFOLSA-N 292.360 1.766 0 50 CDAA O=C(NCc1cc2ccccc2s1)N[C@H]1COC[C@H]1O 636640325 LGNDAFRBGBEPPQ-NWDGAFQWSA-N 292.360 1.460 0 50 CDAA CO[C@H](Cn1cc(CNC(C)=O)nn1)C1CCCCC1 641183707 GLZVHHBPVSWJQK-CQSZACIVSA-N 280.372 1.510 0 50 CDAA CCN(CC(=O)O)C(=O)c1cnn(CC(C)C)c1C 190792801 UPWPKCOBQIBJSG-UHFFFAOYSA-N 267.329 1.394 0 50 CDAA Cc1ccc(CN2CC[C@H](NC(=O)C(C)(C)F)C2=O)cc1 192294063 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CO[C@](C)(C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1F 1615615378 OUVNQAVQLQDJHM-WFASDCNBSA-N 295.310 1.763 0 50 CDAA CC(C)N1CCC[C@H](N[C@@]23C[C@@H]2COC32CCC2)C1=O 1616037788 FYDYLTVDHGCSNN-WWGRRREGSA-N 278.396 1.687 0 50 CDAA CN(CC[C@H](O)c1ccccc1)CCn1cncn1 219580586 QMOVZMPDMVMFSN-AWEZNQCLSA-N 260.341 1.334 0 50 CDAA O=C(C1CCC1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529112902 VGEFYZQATKRKBQ-TZMCWYRMSA-N 260.337 1.244 0 50 CDAA CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](N)[C@H](O)C1 1875242048 LAGXIVYHCDQQRE-BFHYXJOUSA-N 262.353 1.133 0 50 CDAA COC[C@H](NS(=O)(=O)c1ccc(C)o1)[C@@H]1CCCO1 331202479 QTVNNAYAFAGXTK-QWRGUYRKSA-N 289.353 1.060 0 50 CDAA CC(C)N(CCc1nccs1)C(=O)CN1CCCC1=O 132461568 IAEAFBWNAIHRCR-UHFFFAOYSA-N 295.408 1.545 0 50 CDAA CCCCS(=O)(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 248146633 FBAFGDRQHQCWCB-MNOVXSKESA-N 275.370 1.159 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2ncccc2C)C[C@@H]1O 1704305687 QLQWXEXKIYQQGJ-WFASDCNBSA-N 278.352 1.832 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)CCCC(C)C)C[C@H]2O)n[nH]1 1704353748 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293.334 1.932 0 50 CDAA CCc1cc(N2CCN(c3nncc(C)c3C)CC2)ncn1 1857679232 ZKVXGURTJVCCDZ-UHFFFAOYSA-N 298.394 1.772 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1CCN1CCCc2ccccc21 1857693310 QZENGVJAXLZDEL-GDBMZVCRSA-N 285.391 1.402 0 50 CDAA Cn1ccc2c(C(=O)N3C[C@H]4[C@@H](O)C[C@H]4C3)cccc21 1857699364 OANXWBBZPMAMCT-ZBINZKHDSA-N 270.332 1.631 0 50 CDAA c1nc(N2C[C@@H]3C[C@H](C2)[C@@H]2CCCCN2C3)c2nc[nH]c2n1 1857738399 GNFLGFNMOOLFJQ-UPJWGTAASA-N 298.394 1.664 0 50 CDAA N=c1ccnc(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)[nH]1 339774762 FBPAKOZMKBLFDK-OLZOCXBDSA-N 288.326 1.336 0 50 CDAA Cc1nc(-c2cn3c(n2)CCNCC3)n(-c2ccccc2)n1 1875250453 ZXRFUDNADMEUPZ-UHFFFAOYSA-N 294.362 1.585 0 50 CDAA O=C(c1cccc(Br)c1)N1CCOCC1 29882 ZVHMYYPSUJGLHH-UHFFFAOYSA-N 270.126 1.922 0 50 CDAA in-vitro COC1(c2nc(Cc3ccccc3)no2)CCNCC1 225498225 IESMTPXBTJCQOT-UHFFFAOYSA-N 273.336 1.886 0 50 CDAA CC(C)C[C@@H](CN)C(=O)N[C@H]1CCc2[nH]ncc2C1 225470111 XFUWOJJXZQEHAW-JQWIXIFHSA-N 264.373 1.004 0 50 CDAA C[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1cccc(F)c1 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C=C=CCNS(=O)(=O)C[C@@H]1CCCC2(CCC2)O1 952993292 MKZRQFWANVZWSY-LBPRGKRZSA-N 271.382 1.739 0 50 CDAA O=C(N=c1[nH][nH]c2cc(O)ccc12)[C@@H]1CCC[C@H](O)C1 1875267843 AABLTFYAGFODAG-BDAKNGLRSA-N 275.308 1.180 0 50 CDAA CC12CC(NC(=O)c3cccc(Cn4ccnn4)c3)(C1)C2 1875274734 WGIHHYOIWKXQFO-UHFFFAOYSA-N 282.347 1.999 0 50 CDAA O=C1CCC(NC(=O)c2nnc3ccccc3n2)CC1 1875271093 PBQCSPVHALXWPD-UHFFFAOYSA-N 270.292 1.266 0 50 CDAA C[C@H]1CCCN(C(=O)Cn2c(C(C)(C)C)noc2=O)C1 1875391373 WDIRXVJBORQPSS-JTQLQIEISA-N 281.356 1.392 0 50 CDAA Cn1cnc2ccc(C(=O)O[C@@H]3CCC4(COC4)C3)nc21 1875317584 DPIKZZBUTVAUTJ-SNVBAGLBSA-N 287.319 1.694 0 50 CDAA CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1 887268503 NMEULACYEZDUFK-QJPTWQEYSA-N 254.399 1.577 0 50 CDAA CC(C)(C)OC(=O)NCC12CCC(N)(CC1)CO2 1772770610 IOLQBNHVTAOWSI-UHFFFAOYSA-N 256.346 1.552 0 50 CDAA COc1nc(C)cc(C)c1CN(C)C(=O)[C@@H]1NC[C@@H]2C[C@@H]21 1776008230 WRUPQOZURCUIJB-SGMGOOAPSA-N 289.379 1.273 0 50 CDAA Cc1nn(C)c2sc(C(=O)NCC3(C(=O)O)CC3)cc12 166961299 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O[C@@]1(C2CC2)CCN(c2ccc3nnc(C(F)F)n3n2)C1 377471855 XQAPLLKLMISJMD-ZDUSSCGKSA-N 295.293 1.413 0 50 CDAA C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCNC(=O)C1 334200310 NZQZTFNZROHLOO-NXEZZACHSA-N 278.377 1.720 0 50 CDAA CCS(=O)(=O)NC[C@H]1COc2ccccc2C1 49126532 IRMXLOAXXJUVOK-JTQLQIEISA-N 255.339 1.177 0 50 CDAA CN1C[C@H](NC(=O)CCc2ccc(F)cc2)CCC1=O 133693258 GCCOTKPMVJNIEX-CYBMUJFWSA-N 278.327 1.495 0 50 CDAA Cc1cc(C)nc(N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)n1 284623172 SAIYOKUWPADCRD-LZWOXQAQSA-N 291.395 1.850 0 50 CDAA CC(C)N(C(=O)CS(=O)(=O)O)c1ccccc1 43215004 BFSZJLBDHMMCAH-UHFFFAOYSA-N 257.311 1.316 0 50 CDAA in-vitro CCS(=O)(=O)NCc1nc2c(C)cccc2[nH]1 130036025 UJVICODVRRZHML-UHFFFAOYSA-N 253.327 1.311 0 50 CDAA CCO[C@@H](C)C(=O)NCCc1noc(C2CCCC2)n1 426503034 BUILAQNTXPWFBD-JTQLQIEISA-N 281.356 1.811 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)cc1F 225787811 ZMOCZOVQVFHKJC-WISYIIOYSA-N 297.257 1.782 0 50 CDAA O=C(NCc1cccs1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 137322494 QFQGWRWEAGNSDM-FSZOTQKASA-N 277.345 1.887 0 50 CDAA Cc1[nH]nc(C(=O)NCCc2ccco2)c1Cl 426360058 ZKJJPJWVIJAZNB-UHFFFAOYSA-N 253.689 1.937 0 50 CDAA O=C(N[C@@H](CO)C1CCCC1)c1cc(C2CC2)no1 291379497 WTTWWCLMIXPGEQ-LBPRGKRZSA-N 264.325 1.833 0 50 CDAA COc1ccc(CCC(=O)N[C@@H](C)C(=O)N(C)C)cc1 46826989 SMXWGJFGASLGIT-NSHDSACASA-N 278.352 1.221 0 50 CDAA CCOCCC(=O)N1CCc2[nH]nc(CC)c2C1 222440863 IFGPHIHNHVFHEA-UHFFFAOYSA-N 251.330 1.283 0 50 CDAA CCc1ncc(C(=O)N[C@H](CC)c2nc(C)c[nH]2)cn1 95363633 ZCYXLAUWKOEZRP-LLVKDONJSA-N 273.340 1.952 0 50 CDAA NCCCOc1ccc(F)cc1C(=O)N1CCC[C@@H]1CO 426534076 PXLHTNUMBXQDCE-GFCCVEGCSA-N 296.342 1.150 0 50 CDAA CC[C@](O)(CCCO)CNC(=O)c1csc(C)n1 96153986 KOEUVBMJDPLTOW-LBPRGKRZSA-N 272.370 1.095 0 50 CDAA CN1CCC(CCC(=O)N[C@@H](CO)c2ccccc2)CC1 97553155 ZUMXUXUARSSYGH-INIZCTEOSA-N 290.407 1.958 0 50 CDAA Cc1cc(CNC(=O)[C@H]2COc3ccccc3O2)n(C)n1 96147946 NRUMJKMCHMVDGD-CQSZACIVSA-N 287.319 1.185 0 50 CDAA Cc1c(Cl)c(C(=O)N2CC[C@](C)(O)[C@H](C)C2)nn1C 91504868 UASINIOENLZDGL-OQPBUACISA-N 285.775 1.615 0 50 CDAA O=C1N[C@H]2CCC[C@@H]1CN(Cc1ccsc1)C2 97729681 RCDRTYFZXHRZSL-NEPJUHHUSA-N 250.367 1.849 0 50 CDAA CCc1nocc1CN(C)C(=O)[C@H]1CCCCC(=O)N1 294139024 OFQTYEZTRYPUOS-GFCCVEGCSA-N 279.340 1.254 0 50 CDAA CCCc1nnc(N2CCC[C@@H](N(C)C)CC2)o1 95383596 FCUOJITZKYEBKB-LLVKDONJSA-N 252.362 1.943 0 50 CDAA CN1CC[C@]2(CCC1=O)CN(Cc1ccco1)CCN2C 91518567 YSFSYAOLWWIUON-MRXNPFEDSA-N 291.395 1.408 0 50 CDAA C[C@@H](CNC(=O)Nc1ccnn1C)Oc1cccnc1 96164486 FRIHIQFDRAZUTM-JTQLQIEISA-N 275.312 1.404 0 50 CDAA CC[C@H](C)[C@@H](CO)NC(=O)c1cnn(C)c1-n1cccc1 230214375 SOASEDPOPIMUQR-WCQYABFASA-N 290.367 1.348 0 50 CDAA OCCN1CCN(Cc2c(F)cccc2Cl)CC1 95202017 UTKVLKAISOYNHN-UHFFFAOYSA-N 272.751 1.589 0 50 CDAA COc1cc(CN2CCOCCC2=O)cc(OC)c1 95506561 HUXKLRKXJCLCEV-UHFFFAOYSA-N 265.309 1.453 0 50 CDAA O=C1[C@H]2C=C[C@@H]([C@@H]3C[C@H]13)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 247710129 IPILPBGNJMMELT-LZXPERKUSA-N 293.322 1.813 0 50 CDAA Cc1ccncc1CN(C)C(=O)[C@H](C)c1ccnn1C 622573277 IQMJKOOZBFHYHW-GFCCVEGCSA-N 272.352 1.886 0 50 CDAA O=C(NCc1ccc(F)cc1)c1nnc([C@H]2CCOC2)o1 299746000 UQOMCVJPOCIAKF-JTQLQIEISA-N 291.282 1.643 0 50 CDAA CS(=O)(=O)CCN1CC[C@H](n2cnc3c2CCCC3)C1 299750353 NEVATHSQCPPTCS-LBPRGKRZSA-N 297.424 1.053 0 50 CDAA Cn1cc(CCn2c(=O)sc3c(F)cccc32)nn1 629181982 YVXJVHNLWJVFFP-UHFFFAOYSA-N 278.312 1.573 0 50 CDAA CSCC(=O)N[C@@H](CC(C)C)c1ncnn1C 534662462 NFCWHNCNZQSWDS-VIFPVBQESA-N 256.375 1.382 0 50 CDAA O=C(N[C@H]1CCCNC1=O)c1cccc(-c2cn[nH]c2)c1 534640804 AXSGTOKJIVQJMC-ZDUSSCGKSA-N 284.319 1.085 0 50 CDAA CCOCCCNS(=O)(=O)c1ccc(F)cc1 2803646 HNINHEMZXNITQN-UHFFFAOYSA-N 261.318 1.531 0 50 CDAA Cc1n[nH]nc1C(=O)N[C@@H]1CCCN(C2CCCC2)C1 299778939 QVZIKLBWYKJRNI-LLVKDONJSA-N 277.372 1.250 0 50 CDAA CC[C@@H](NC(=O)c1nn(C)c(C)c1Cl)c1nc(C)no1 299774448 IALNEJWBOGDJCM-MRVPVSSYSA-N 297.746 1.954 0 50 CDAA COCCOCCN(C)C[C@H]1CCN(C)C1(C)C 824447763 WNHOLVLPTRVANW-CYBMUJFWSA-N 258.406 1.312 0 50 CDAA CN(C)C[C@@H]1COCCN(CC(C)(C)N2CCCCC2)C1 823690206 NRTYAZAUFRVVTN-INIZCTEOSA-N 297.487 1.761 0 50 CDAA Cc1c([C@@H](C)NC(=O)c2cc(C(F)F)[nH]n2)cnn1C 584892130 LTRQRIKQRFCABU-ZCFIWIBFSA-N 283.282 1.880 0 50 CDAA CN(C)Cc1ccccc1CN(C)C(=O)c1ccnn1C 823712731 LVHRAGYSRJLKNC-UHFFFAOYSA-N 286.379 1.754 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)n1cnc2nccnc2c1=O 584894836 ITCULFXUNWWQNA-SNVBAGLBSA-N 284.323 1.146 0 50 CDAA Cc1csc([C@H](C)NC(=O)CCCn2cnnn2)n1 584898127 MRJWFPUMPLKRDS-VIFPVBQESA-N 280.357 1.096 0 50 CDAA CC[C@H](C)[C@H](NC(=O)NC(C)(C)CC(N)=O)C(F)(F)F 585135894 HOUJOOLJRKQDDU-CBAPKCEASA-N 297.321 1.917 0 50 CDAA CN=c1[nH]c(C(=O)N(C)Cc2cc(C(C)C)no2)cs1 584902015 BOTIAZZQIPUFEQ-UHFFFAOYSA-N 294.380 1.990 0 50 CDAA Cc1ccc(N2CCN(CCOCCO)[C@@H](C)C2)cc1 670435523 OUFJATZWKPKZQJ-HNNXBMFYSA-N 278.396 1.514 0 50 CDAA N=c1nc(N2CCOC3(CC3)C2)c2c([nH]1)CCCC2 1875302653 AWANEQFKYLHZKP-UHFFFAOYSA-N 260.341 1.137 0 50 CDAA CCn1ncnc1CN[C@H]1COc2c(cccc2OC)C1 684560416 KYIHNYGGRIBBON-GFCCVEGCSA-N 288.351 1.400 0 50 CDAA O=C(NCc1ccns1)[C@@H]1Cc2ccccc2O1 1557522290 RQCIMPGKFQSLDL-LBPRGKRZSA-N 260.318 1.763 0 50 CDAA CCCCN(Cc1ccncc1)C(=O)[C@H]1C=CCN1 952982117 VJYQEQPRPLQNIP-CQSZACIVSA-N 259.353 1.738 0 50 CDAA CC1=C(C(=O)NC2CC(C)(C)NC(C)(C)C2)OCCO1 952987279 LCTBIFOOBFBPCX-UHFFFAOYSA-N 282.384 1.690 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)c2cncn2C)C1 952971635 HVKRRTNTCCIIDT-LLVKDONJSA-N 251.330 1.451 0 50 CDAA Cc1nc(CC(=O)N2CC[C@H]([C@H](F)C(=O)O)C2)cs1 1548598514 LCDGERNSXCRSSI-KWQFWETISA-N 286.328 1.265 0 50 CDAA Cc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2C)cc(C)n1 952974733 OVOWDNJMRPBAKZ-NSHDSACASA-N 261.325 1.001 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)Nc1ccccn1 275860016 JJXFQONFPRREOB-LLVKDONJSA-N 271.324 1.662 0 50 CDAA O=C(CC1(O)CCCCC1)N1CCCC[C@H]1c1nc[nH]n1 305744845 MPBGVXCVKUGJCT-LBPRGKRZSA-N 292.383 1.944 0 50 CDAA O=S(=O)(Cc1ccnc(Cl)c1)C[C@H]1CCCO1 408512932 BSGOQEXGGOPNTE-SNVBAGLBSA-N 275.757 1.829 0 50 CDAA COC(=O)CN(OC)[C@H]1CCCOc2ccccc21 408513169 AFNWEHHLOBLRRT-LBPRGKRZSA-N 265.309 1.937 0 50 CDAA C[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C)C1CC1)C1CC1 408516517 BHKFTXMBKPVCPP-NWDGAFQWSA-N 296.411 1.016 0 50 CDAA Cc1cc(S(=O)(=O)NC2CN(C(C)C)C2)c(C)s1 170603664 GBUFZTTZZPAJCR-UHFFFAOYSA-N 288.438 1.736 0 50 CDAA Cc1ccccc1CC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275394588 RNQQXZRPAVBOGE-HOCLYGCPSA-N 299.374 1.917 0 50 CDAA CCOc1cccc(CNC(=O)[C@@]2(C)CCN(C)C2=O)c1 585121634 UQRPVFAEESATSL-MRXNPFEDSA-N 290.363 1.570 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2cccnc2)C1(C)C 188833895 KJQJCYPPZMBSIO-DOMZBBRYSA-N 278.352 1.378 0 50 CDAA C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cnccn2)C1=O 192578853 WWOFDHRTVPUUOV-JTQLQIEISA-N 298.302 1.229 0 50 CDAA Cc1nnc(N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)nc1C 665751859 CZPVUKWHWIVKJK-HIFRSBDPSA-N 297.362 1.920 0 50 CDAA Nc1nnc(SC[C@@H]2CCCCNC2=O)s1 721040098 XHYILLKOYZGSNY-LURJTMIESA-N 258.372 1.129 0 50 CDAA Cc1c(C(=O)N(CC(N)=O)CC(C)C)ccc2cncn12 1647131027 ZALJQHZDQMIOMA-UHFFFAOYSA-N 288.351 1.226 0 50 CDAA Cc1ccc([C@H](C)NC(=O)c2ccn(C)c(=O)c2)cn1 1857692427 DFDOTVYZBBRDKQ-NSHDSACASA-N 271.320 1.580 0 50 CDAA CCCN1CCCN(CCn2cnnc2C)CC1 1506404389 DBIXBRIKYDCWOH-UHFFFAOYSA-N 251.378 1.004 0 50 CDAA CCc1cc(C)c(C(=O)N2CCO[C@@H](C(=O)O)C2)o1 237125253 MJRNDEXVJYBAKE-SNVBAGLBSA-N 267.281 1.076 0 50 CDAA NS(=O)(=O)CCCNCC1C2CC3CC(C2)CC1C3 693918832 BNXLRZMPCBCHFC-UHFFFAOYSA-N 286.441 1.327 0 50 CDAA O=C(/C=C/c1ccccc1)N1CCC([C@@H](O)CO)CC1 1772707437 SNOAYMANUWHZBW-LFAOLKIESA-N 275.348 1.292 0 50 CDAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccnc1 248163471 YTBXLWJGFMCOJD-UONOGXRCSA-N 259.353 1.780 0 50 CDAA Cc1nonc1OCCn1nnnc1-c1ccccc1 5533403 FTGJDLCUMHUEEE-UHFFFAOYSA-N 272.268 1.111 0 50 CDAA Cc1nc[nH]c1CN[C@H]1CC(=O)N(CCc2ccccc2)C1 12445734 JTPFPRUFGGQLJF-HNNXBMFYSA-N 298.390 1.651 0 50 CDAA CS(=O)(=O)c1ccc(N)c(Br)c1 15443876 BZKULEPZXDVWPQ-UHFFFAOYSA-N 250.117 1.435 0 50 CDAA COC(=O)[C@H]1CCCCN1C(=O)c1cnc(C)nc1C 19537632 MWHOUKSGORVUSB-GFCCVEGCSA-N 277.324 1.261 0 50 CDAA COc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169299436 RXUSSKXDZAVMFJ-LPWJVIDDSA-N 289.287 1.288 0 50 CDAA O=C1C[C@H]2CN(Cc3ccc4ncccc4c3)C[C@H]2N1 1857675611 FPQIZTVVKZCOOR-DZGCQCFKSA-N 267.332 1.555 0 50 CDAA CC(=O)N[C@H](C(=O)O)c1csc(Br)c1 306244764 PTIQFNVDBCWIIX-ZETCQYMHSA-N 278.127 1.772 0 50 CDAA O=C(O)CCN1C(=O)COc2ccc(Cl)cc21 4242328 REQQIWCFXWGLDY-UHFFFAOYSA-N 255.657 1.540 0 50 CDAA in-vitro COCc1nsc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1 328588377 DGBCOBNFMJIIQL-GXFFZTMASA-N 299.396 1.459 0 50 CDAA Clc1ccc(CN2CCO[C@H](Cn3ccnn3)C2)nc1 639855061 KKFFJMWTDDBMJZ-ZDUSSCGKSA-N 293.758 1.228 0 50 CDAA Cc1noc(-c2ccccc2C(=O)N[C@H]2CCNC2)n1 127156242 SEUGRGZZAKJRFZ-JTQLQIEISA-N 272.308 1.137 0 50 CDAA Cn1c(C(=O)N(CC(=O)O)C2CC2)cc2ccccc21 237708754 XVUAAOPTSQPYCC-UHFFFAOYSA-N 272.304 1.868 0 50 CDAA CC[C@@H](NC(=O)N1CC[C@@H](CN(C)C)C1)c1noc(C)n1 130234234 FCNQJRMTYWTAEI-NWDGAFQWSA-N 295.387 1.422 0 50 CDAA CN(C[C@H]1CCCOC1)C(=O)c1cnn2cccnc12 264516083 MCMYRNQHGFNUKD-LLVKDONJSA-N 274.324 1.228 0 50 CDAA NC(=O)NCCC(=O)N1CCC[C@@H](Nc2ccccc2)C1 164013482 RXWMQWOFIKMMOC-CYBMUJFWSA-N 290.367 1.148 0 50 CDAA Cc1cc(S(=O)(=O)NCCc2cnoc2)c(C)o1 907385091 XCIXDZQKPPMJOK-UHFFFAOYSA-N 270.310 1.405 0 50 CDAA CCn1cc(NC(=O)[C@H]2NCCOc3ccccc32)cn1 912477770 CODZJVMJKBVJPU-AWEZNQCLSA-N 286.335 1.565 0 50 CDAA O=C(NCCC1CCCCC1)[C@H]1NCC12CCOCC2 852785385 IRNGSAQSNVVRPI-CQSZACIVSA-N 280.412 1.842 0 50 CDAA O=C(C[C@@H]1CCCNC1)N[C@H]1C[C@@H](O)c2ccccc21 852853967 APOCKKXAFFKAHS-TUKIKUTGSA-N 274.364 1.671 0 50 CDAA C=C=CCNS(=O)(=O)[C@H]1CCc2ccccc2[C@@H]1OC 952877200 MSLAYIUFBVSLAJ-GJZGRUSLSA-N 293.388 1.949 0 50 CDAA CCc1nc([C@@H](C)NC(=O)N2CCOCCN2)cs1 1875272021 KRSYZRFPMLZRCP-SECBINFHSA-N 284.385 1.313 0 50 CDAA CCN1CCC(NC(=O)NCc2cncn2CC)CC1 1875288839 GECIIJYUYRDTDZ-UHFFFAOYSA-N 279.388 1.187 0 50 CDAA O=C1CCN(C[C@H]2CCCO2)C(=O)N1CCCCF 1875293127 DAHORBZECKNQKX-LLVKDONJSA-N 272.320 1.569 0 50 CDAA C[C@@H](CO)CNC(=O)Nc1cc(C(F)(F)F)ncn1 1875289319 HRKOPLXEWLQODN-ZCFIWIBFSA-N 278.234 1.245 0 50 CDAA Cc1cnn(C[C@H](C)NC(=O)N2CCC[C@H]2CCO)c1 888093330 SACPIZOTVDWMDI-STQMWFEESA-N 280.372 1.136 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccncc2C)C1 888077608 LCVYPUIASQRUNA-DGCLKSJQSA-N 286.335 1.715 0 50 CDAA c1ccc2c(c1)N[C@]1(CCCSC1)n1nnnc1-2 1775998083 ZMHPZYZMNBTOEQ-GFCCVEGCSA-N 259.338 1.945 0 50 CDAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)Nc3cnc4[nH]ncc4c3)C[C@H]21 1775960841 BDDRGHCPYKTOTF-JTRYMVSWSA-N 271.324 1.270 0 50 CDAA CCc1ccccc1O[C@@H](C)C(=O)N1CCOCC1 30872107 KUMUEZWUDKZUET-LBPRGKRZSA-N 263.337 1.875 0 50 CDAA COc1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)ccc1C 659229252 SULQGNWOMFYOCE-TXEJJXNPSA-N 277.320 1.939 0 50 CDAA c1nc2n(n1)CCC[C@@H]2Nc1nc(C2CC2)ns1 301552551 HORCUEOOODYIFX-QMMMGPOBSA-N 262.342 1.954 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)Cc1cccs1 74800469 LUXRSHSWHISOPO-UHFFFAOYSA-N 263.366 1.989 0 50 CDAA Cc1csc([C@@H]2CCCCN2Cc2nnn(C)n2)n1 328597833 APJGFKIKJYPGLH-JTQLQIEISA-N 278.385 1.702 0 50 CDAA CSCCC(=O)N1CC[C@@](O)(c2ccccc2)C1 584889368 ABQJNERGCOKCIU-AWEZNQCLSA-N 265.378 1.860 0 50 CDAA C[C@H](Cc1cccnc1)NC(=O)c1cnc(N)s1 1263247223 PUBACCJQOKJUHR-MRVPVSSYSA-N 262.338 1.481 0 50 CDAA COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 1280665 LLPOLZWFYMWNKH-CMKMFDCUSA-N 299.370 1.933 0 50 CDAA biogenic,fda Cc1ncc2c(c1CNC(=O)C1CCOCC1)CCNC2 299771523 QEWQKHSOGZGERE-UHFFFAOYSA-N 289.379 1.079 0 50 CDAA O=C(O)[C@H]1C=CCCN1C(=O)[C@@H](CO)c1ccccc1 2325788547 NWFAWJLHXZUSSH-QWHCGFSZSA-N 275.304 1.004 0 50 CDAA CN(C(=O)c1ccc(-c2cn[nH]c2)cn1)C1CCNCC1 876510714 YTRGWMMKQMROSL-UHFFFAOYSA-N 285.351 1.296 0 50 CDAA NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O 102041 IFOSTEFURZGGGV-UHFFFAOYSA-N 284.271 1.736 0 50 CDAA COc1cc(OC)c(C(=O)NC[C@@H]2CCCO2)cc1OC 365342 RKXLGVSIOQXKTN-JTQLQIEISA-N 295.335 1.621 0 50 CDAA COC(=O)C1CCN(C(=O)NC2CCCCC2)CC1 471470 NMJGYZHLUKUUIX-UHFFFAOYSA-N 268.357 1.914 0 50 CDAA CS(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 1396313 IBXQCKICWBABKX-UHFFFAOYSA-N 288.332 1.768 0 50 CDAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cnc[nH]2)C1=O 2356151552 NEFLMFKKOXDFJJ-OAHLLOKOSA-N 290.367 1.415 0 50 CDAA O=C(OC[C@H]1CCS(=O)(=O)C1)c1ccccc1 4020846 KHGHJAVOAGCYET-SNVBAGLBSA-N 254.307 1.278 0 50 CDAA CCN(CC)C[C@H](O)COc1ccccc1C(C)=O 4320468 CSNITBQQXAQVFX-ZDUSSCGKSA-N 265.353 1.971 0 50 CDAA CCOc1ccc(S(=O)(=O)Nc2ccon2)cc1 6706545 CNILAZIOFBHGDV-UHFFFAOYSA-N 268.294 1.874 0 50 CDAA COc1ccc(-c2noc(C(=O)NC3CC3)n2)cc1OC 6747591 ZTXVVPKGSPBIOB-UHFFFAOYSA-N 289.291 1.646 0 50 CDAA O=S(=O)(c1cnn[nH]1)[C@H]1CCc2c(F)cc(F)cc21 133440261 RWQCUZJMTDHNOF-JTQLQIEISA-N 285.275 1.544 0 50 CDAA CCN1CC[C@@H](CN(CC)Cc2nccn2C)C1 65404653 MSNKTVJDMNCVSZ-CYBMUJFWSA-N 250.390 1.584 0 50 CDAA C[C@@H]1CC[C@@](CO)(N(C)CCN2CCOC[C@H]2C)C1 249531410 JMPQTLDCXLWPIH-RBSFLKMASA-N 270.417 1.190 0 50 CDAA c1cc(-c2noc(CCN3CCOCC3)n2)cs1 20774379 BHWKWMFKUXULLL-UHFFFAOYSA-N 265.338 1.673 0 50 CDAA CC(C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12001840 URFPMSPMXVDVQT-UHFFFAOYSA-N 282.365 1.500 0 50 CDAA CC(=O)c1cccc(NC(=O)CCNC(=O)C(C)C)c1 65363728 INANCTJZBAZUCK-UHFFFAOYSA-N 276.336 1.990 0 50 CDAA Oc1cnc2cccnc2c1I 66054282 IIIXVGZRTWCKQJ-UHFFFAOYSA-N 272.045 1.940 0 50 CDAA CCN(C(C)=O)[C@H]1CCN(c2nc(C)cc(C)n2)C1 65386774 CJJWQSRGVUNCEQ-ZDUSSCGKSA-N 262.357 1.541 0 50 CDAA CCc1ncc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cn1 67803139 FDHACSDZQWWDHD-QWHCGFSZSA-N 274.368 1.348 0 50 CDAA N=C(O)c1cccc(CN2C[C@@H](F)C[C@H]2CO)c1 330540375 MJSBWXZDDCREAT-RYUDHWBXSA-N 252.289 1.475 0 50 CDAA CCC1CCC(C(=O)NCC(=O)N2CC[C@H](CN)C2)CC1 67605291 PXZDSHQLHXTDCJ-ROKHWSDSSA-N 295.427 1.126 0 50 CDAA O=c1[nH]c2cc(Cl)cc(Br)c2[nH]c1=O 217049349 BDJGONAGKAPRQI-UHFFFAOYSA-N 275.489 1.632 0 50 CDAA COc1ccc2ncn([C@@H](C)Cn3cccn3)c(=O)c2c1 32573228 SXRMBYRKDLNDGT-NSHDSACASA-N 284.319 1.863 0 50 CDAA CCN1C[C@]2(CCCN(C(=O)c3ccc[nH]3)C2)CCC1=O 72429591 PAHFLMCTHJZFQM-INIZCTEOSA-N 289.379 1.879 0 50 CDAA O=C([C@H]1CCc2nncn2C1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 329347049 RRIAWGOGXNHTHP-HTVCTNPSSA-N 286.379 1.345 0 50 CDAA COC(=O)c1nc(NC(C)=O)ccc1Br 38956249 JMJWQHXXOYHKPM-UHFFFAOYSA-N 273.086 1.589 0 50 CDAA COc1ccc(-c2noc(CN[C@@H](CO)C(C)C)n2)cc1 71774455 SSPFUUQHLGAKJV-ZDUSSCGKSA-N 291.351 1.852 0 50 CDAA CN1Cc2ccccc2[C@@H](NC(=O)CC2(O)CCCC2)C1 375893216 XVXGFMFABQMWHX-HNNXBMFYSA-N 288.391 1.985 0 50 CDAA C[C@](O)(CC(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1)C1CC1 333335637 XAVJEPCZAVGTTF-MEDZGJRSSA-N 267.369 1.157 0 50 CDAA CCS(=O)(=O)c1ccccc1N1CC[C@H](CC(N)=O)C1 367929879 XFANBUFGLWDSGY-LLVKDONJSA-N 296.392 1.182 0 50 CDAA CN1Cc2ccccc2[C@H](NC(=O)CC2(O)CCCC2)C1 375893217 XVXGFMFABQMWHX-OAHLLOKOSA-N 288.391 1.985 0 50 CDAA Cc1c[nH]nc1CNC1CCN(C[C@H]2CCOC2)CC1 368089270 KVXVXJOJXPDNCO-CYBMUJFWSA-N 278.400 1.309 0 50 CDAA CN(CCCO)C(=O)[C@H]1COc2ccc(Cl)cc21 369110525 BTISGFBCRMLDKY-NSHDSACASA-N 269.728 1.657 0 50 CDAA COc1cnc(C(=O)NC[C@H]2Cc3ccccc3O2)nc1 338854987 OTCPEAVNHWZMJH-LLVKDONJSA-N 285.303 1.219 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](C2CCC2)C1 334006404 UJDAPNDNPUMKGQ-AWEZNQCLSA-N 277.368 1.597 0 50 CDAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)[C@@H]1CCCO1 32511621 QHNSIYADVJUCTG-GJZGRUSLSA-N 285.347 1.920 0 50 CDAA O=C(O)CCN(C(=O)C[C@@H]1C=CCC1)C1CCOCC1 238064884 UECDTTLNVNYFRQ-GFCCVEGCSA-N 281.352 1.825 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)Cc1ccccc1OC(F)F 238068702 DFWFLKFFNWRCRQ-JTQLQIEISA-N 299.273 1.906 0 50 CDAA Cc1nn(-c2ccccn2)c(N2CCN(C)CC2)c1C=O 38352504 WBECHJJHACZWAK-UHFFFAOYSA-N 285.351 1.140 0 50 CDAA CC[C@@H](NC(=O)/C=C/CN(C)C)c1c(C)noc1C 492251553 XWALVOYLZISGJQ-ABZNLYFFSA-N 265.357 1.977 0 50 CDAA O=C([C@@H]1CSCN1)N1CCc2c(F)cccc21 335549656 NQMVNWFDIFGZED-JTQLQIEISA-N 252.314 1.377 0 50 CDAA COCCN1CN(C(=O)Nc2ccsc2)CC1=O 282602792 GGNOTXGKCHJCEV-UHFFFAOYSA-N 269.326 1.028 0 50 CDAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCCCC1 133866695 CDGRQZMTXGNWAG-UHFFFAOYSA-N 275.761 1.492 0 50 CDAA COC(=O)CC[C@H](C(=O)OC)N(C)CCc1ccccc1 521396529 SFHIXXXESFZUKV-CQSZACIVSA-N 293.363 1.656 0 50 CDAA CC(=O)c1cc(C(=O)N[C@H]2CCC(=O)NC2)ccc1C 240555578 GWLLAFKIYLDMKS-LBPRGKRZSA-N 274.320 1.206 0 50 CDAA COCc1nc(CNC(=O)N[C@H]2CCC[C@H]2F)cs1 454982858 ZVRWRDSJEQDYBT-ZJUUUORDSA-N 287.360 1.979 0 50 CDAA COc1ccc(Cl)cc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 284718337 ZNRSAJAMUVQMEQ-LDYMZIIASA-N 296.754 1.542 0 50 CDAA NC(=O)[C@]1(O)CCCN(Cc2ccc(Cl)cc2F)C1 284748874 FCWWPQNQAQJBHM-ZDUSSCGKSA-N 286.734 1.291 0 50 CDAA COc1ccc(/C=C/CN2CCN(C)[C@H](CO)C2)cc1 225323602 RJAWDZVFBUWSNC-BWPKMQGJSA-N 276.380 1.317 0 50 CDAA COc1nc(C)cc(C)c1Cn1cnc2c(cnn2C)c1=O 286433472 DUYLZVPMUCSBHZ-UHFFFAOYSA-N 299.334 1.199 0 50 CDAA C[C@@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1ncc[nH]1 496636699 ODKLFOGDGNBOGG-NXEZZACHSA-N 294.355 1.596 0 50 CDAA N[C@H]1CCCCN(C(=O)c2ncc(F)cc2F)C1 82127906 ONRJMGMJCCWMMV-VIFPVBQESA-N 255.268 1.313 0 50 CDAA CC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)CC1 135510259 BGBWZMDSNXKRNP-LLVKDONJSA-N 258.362 1.310 0 50 CDAA Clc1nc(N2CCOCC2)c2scnc2n1 43203890 IDEMCEDIFJOUMT-UHFFFAOYSA-N 256.718 1.576 0 50 CDAA COc1ccc(CCC(=O)N[C@H](C)C(=O)N(C)C)cc1 46826991 SMXWGJFGASLGIT-LLVKDONJSA-N 278.352 1.221 0 50 CDAA Cn1cncc1-c1cccc(C(=O)N2CCC[C@H](O)C2)c1 426711984 FFRWVPWNFFSHDR-AWEZNQCLSA-N 285.347 1.684 0 50 CDAA COCCN(Cc1ccncc1)C(=O)C[C@H]1CCOC1 426715852 JIDQCDPYYXPNHO-CQSZACIVSA-N 278.352 1.483 0 50 CDAA Cn1cc(NC(=O)NCCc2nccs2)cn1 195319783 YGFRRVSTEZBXIL-UHFFFAOYSA-N 251.315 1.241 0 50 CDAA COCc1cc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)ncn1 529024480 PXILYXCVXJIYJU-YMTOWFKASA-N 292.339 1.312 0 50 CDAA CCc1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)oc1CC 178281201 WUFXQVLIOCZJOG-GFCCVEGCSA-N 281.308 1.330 0 50 CDAA Cc1ccc(F)c(NC(=O)NCCc2ncnn2C)c1 88336460 MLZKQUYWARUPKT-UHFFFAOYSA-N 277.303 1.627 0 50 CDAA N[C@@H]1CCN(Cc2ccc(-c3ccccc3F)o2)C[C@H]1O 426475559 RDUBEZHMWLMHOV-HUUCEWRRSA-N 290.338 1.980 0 50 CDAA COCC[C@@H]1COCCN1C(=O)[C@H](C)c1cccnc1 291118417 CUVXXARCVPBEAX-TZMCWYRMSA-N 278.352 1.449 0 50 CDAA CCc1c(C)nc(N)nc1N[C@H](CO)CC(C)C 95364238 OCFUWRBEPAFWOQ-JTQLQIEISA-N 252.362 1.749 0 50 CDAA CCCN1CCC(CC(=O)N[C@H](C)c2nncn2C)CC1 95364584 XWOCKFFFYQQGGH-GFCCVEGCSA-N 293.415 1.504 0 50 CDAA COC(=O)c1ccc2ccn(C[C@H]3CCCO3)c(=O)c2c1 95366207 PMBBVEBOIHEYDW-CYBMUJFWSA-N 287.315 1.967 0 50 CDAA CCC[C@H]1CN(C(=O)c2ccnc(NC)c2)C[C@@H]1N 91808123 YTQDNNNZHOYVNR-RYUDHWBXSA-N 262.357 1.323 0 50 CDAA Cc1ocnc1C(=O)NC(C)(C)c1nnc(N)s1 97758014 CVCMVIQPBNXAPE-UHFFFAOYSA-N 267.314 1.082 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)/C=C/c2ccccn2)C1 237528049 DCJYMPQUOCZXOH-VBROQKIQSA-N 260.293 1.418 0 50 CDAA Cc1nocc1CN[C@@]1(CO)CCOc2ccccc21 293268184 NGWXURXSGDBJGN-OAHLLOKOSA-N 274.320 1.743 0 50 CDAA CO[C@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1 330447279 HZIGMZDXYMYJRT-ZDUSSCGKSA-N 297.376 1.068 0 50 CDAA Cc1oc(=O)n([C@H](C)C(=O)NC2CCCC2)c1C 95372291 LGTHYPMZMRNWHL-SECBINFHSA-N 252.314 1.678 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](N)C3)C2)no1 237773058 YMSZFGQUBMNJRV-RWMBFGLXSA-N 292.383 1.287 0 50 CDAA NC[C@H]1CN(c2ccc(Br)c(F)c2)C(=O)O1 142375178 AFLKSCUXTJDCNS-ZETCQYMHSA-N 289.104 1.872 0 50 CDAA CCOCc1nc(CCCn2cncn2)n(C(C)(C)C)n1 95519963 MOOBSYYEWGULCF-UHFFFAOYSA-N 292.387 1.794 0 50 CDAA O=C(Nc1cccnc1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 230087672 HDYMYZCBMWKEJQ-DJIHRAIXSA-N 261.325 1.610 0 50 CDAA O[C@H]1C[C@@H](c2cc(NCCc3nccs3)ncn2)C1 243892603 AJQGBLGZTTWOCJ-AOOOYVTPSA-N 276.365 1.826 0 50 CDAA c1ccc(CN2CCC(NC[C@H]3CCCO3)CC2)nc1 295008450 JGJWTMIHHDIRPG-MRXNPFEDSA-N 275.396 1.815 0 50 CDAA O=C(O)COc1ccc(-c2cnccn2)cc1CN1CCC1 244659544 HEOHXNCCSOTEGL-UHFFFAOYSA-N 299.330 1.813 0 50 CDAA COC(=O)[C@]1(N)C[C@@]1(C)c1ccc(Br)cc1 521399722 KXGDFZBDHKTHEN-NWDGAFQWSA-N 284.153 1.981 0 50 CDAA CCOCC1(CNC(=O)[C@@H](C)N2CCCC2=O)CCC1 534643000 VWEFNEAKVBYTST-GFCCVEGCSA-N 282.384 1.320 0 50 CDAA CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@@H]1COC[C@@H]1c1ccccc1 629255142 UWBONILSBLMQOQ-SLBVQIDZSA-N 289.375 1.646 0 50 CDAA COc1cc(C(=O)NCCCc2nccs2)ccn1 534663940 INHWZDGUYXJRFA-UHFFFAOYSA-N 277.349 1.909 0 50 CDAA Oc1cc(CN2CC[C@H](O)C2)nc2ccc(F)cc12 299794546 JUFINOXADGMCHM-NSHDSACASA-N 262.284 1.646 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@@H](c2nccn2C)C2CC2)o1 299791263 CTLKFTIYQIUNLT-CYBMUJFWSA-N 287.319 1.563 0 50 CDAA COC[C@H](C)C1CCN(C(=O)c2c(C)ncn2C)CC1 299797244 PXTQJFSDAMGWGS-NSHDSACASA-N 279.384 1.863 0 50 CDAA CCCc1cnc(C)nc1N(CCOC)CC(=O)O 823012007 CRTRSZZAOZRHOT-UHFFFAOYSA-N 267.329 1.275 0 50 CDAA c1ccc(CCn2ncnc2CCCn2cncn2)cc1 829065390 IPKGBWJMJAPLIK-UHFFFAOYSA-N 282.351 1.745 0 50 CDAA Cc1nc2cc(CNC(=O)[C@H]3C=CCN3)ccc2n1C 827690932 QNJXPTNXAIYLEZ-GFCCVEGCSA-N 270.336 1.026 0 50 CDAA CCC[C@H](CN=c1nc(N(C)C)[nH]s1)N(C)C 584901421 KDJFWVWGZKRZFJ-SECBINFHSA-N 257.407 1.168 0 50 CDAA COc1ccc2ncn(CC3(CO)CCCC3)c(=O)c2c1 584893554 BCQIHXNWOOYBAR-UHFFFAOYSA-N 288.347 1.958 0 50 CDAA Cc1ccccc1OCCC(=O)N[C@H]1CCC(=O)N(C)C1 584889613 BXGFVDYNCJQTQP-ZDUSSCGKSA-N 290.363 1.501 0 50 CDAA Cc1nc(C)n(CCCn2cnc3cccnc3c2=O)n1 584892900 YVZGVMZLQSRHFN-UHFFFAOYSA-N 284.323 1.090 0 50 CDAA C=CC(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 1356519926 GPWNNRVTQLLSJM-ZDUSSCGKSA-N 258.321 1.337 0 50 CDAA O=C(O)[C@H](C(=O)N=c1cc[nH]c2ccncc12)C1CCCC1 1350424564 WQMQNMIBDUHNEO-AWEZNQCLSA-N 299.330 1.881 0 50 CDAA COc1cc(C)cc(CNC(=O)N2C[C@@H]3CC[C@@]3(N)C2)c1 1553468887 UYLPKTKAFPGDEP-XJKSGUPXSA-N 289.379 1.636 0 50 CDAA Cc1nccn1-c1ccc(CNC(=O)c2nccn2C)cc1 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1.262 0 50 CDAA COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N1Cc1ccccc1 34161201 VOUOTBJQQLQSCY-STQMWFEESA-N 277.320 1.366 0 50 CDAA in-vitro O=C(O)CN1CCN(C[C@H]2CCOc3ccccc32)CC1 162029502 NOHIYOLQSXPUAW-CYBMUJFWSA-N 290.363 1.255 0 50 CDAA Cc1cccnc1CNS(=O)(=O)N1CCCC[C@@H]1C 264208253 ROALODAOGNSJAD-LBPRGKRZSA-N 283.397 1.599 0 50 CDAA CCn1nc(C)c(S(=O)(=O)N(C)c2cnn(C)c2)c1C 266261600 ZMQMAVORZUSKRY-UHFFFAOYSA-N 297.384 1.078 0 50 CDAA O=C(C1Cc2ccccc2C1)N1C[C@@H]2CCN[C@@H]2C1 236402953 QGMRIGUPUZIAHA-DZGCQCFKSA-N 256.349 1.222 0 50 CDAA CCOC[C@H]1C(=O)N(c2c(C)noc2C)C(=O)N1C 900219662 QTUFLJJZHWTGDL-VIFPVBQESA-N 267.285 1.095 0 50 CDAA CC(C)(NC(=O)[C@H]1CC12CC2)c1cc(C(=O)O)on1 909925872 AUCUNWMKZNEFCF-SSDOTTSWSA-N 264.281 1.524 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1cn(C(C)C)nc1C 818629677 JCPXUZKZYUIZEN-HNNXBMFYSA-N 295.383 1.838 0 50 CDAA CCc1cc(N2CC(OC)(c3ccnn3C)C2)ncn1 952994565 XMBKZRVIEDRAMJ-UHFFFAOYSA-N 273.340 1.134 0 50 CDAA CN(C(=O)c1cc(C(N)=O)[nH]n1)[C@H]1CCc2ccccc21 1875292901 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O=C(N[C@H]1CC12CC(O)C2)c1ccc(-c2cn[nH]c2)cn1 888947499 XKJPUUBEHWJUEN-QRJNDHJOSA-N 284.319 1.115 0 50 CDAA C=CC(=O)Nc1cc(F)ccc1OCCN1CCOCC1 1775997995 XWEXFMPYKDMSQM-UHFFFAOYSA-N 294.326 1.661 0 50 CDAA COc1ccc(CC(=O)N2C[C@H](C)N[C@@H](C)C2)cc1F 153190820 AOKANGMFJBJZMR-QWRGUYRKSA-N 280.343 1.586 0 50 CDAA NC(=O)c1cnc(NCCCC(=O)O)c(Cl)c1 263405374 KJEXNAFUUDADGF-UHFFFAOYSA-N 257.677 1.111 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)CC1CCC1 263528818 VLHDPSIQJYZZEM-KOLCDFICSA-N 275.370 1.301 0 50 CDAA O=C(O)C[C@@H](NC(=O)N1CCOCC1)c1ccccc1 40524123 TWLMQOLRCAXEKN-GFCCVEGCSA-N 278.308 1.244 0 50 CDAA CN1CCCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 301383594 DADJNBXHWPKOFH-MELADBBJSA-N 250.386 1.977 0 50 CDAA O=C(NCc1csc2c1CCCC2)[C@@H]1C=CCN1 534642932 GXJJDMDJLVQPTJ-LBPRGKRZSA-N 262.378 1.771 0 50 CDAA COc1ccccc1CCNC(=O)N[C@H](C)C(=O)O 217333725 SQRKQJOUHFFBMM-SECBINFHSA-N 266.297 1.010 0 50 CDAA N[C@H]1CC12CC(NC(=O)c1ccc(F)c(O)c1F)C2 2325795102 FEALPEDPKISMFO-UNWJSIQESA-N 268.263 1.280 0 50 CDAA FC(F)Cn1nccc1CN1CCNC[C@H]1c1cn[nH]c1 2325800708 CLQXQQJGPSNGFL-LBPRGKRZSA-N 296.325 1.018 0 50 CDAA COC(=O)/C=C/CNC(=O)C(=O)Nc1ccc(Cl)cc1 2325812167 LSDKDMQZJXFSQH-NSCUHMNNSA-N 296.710 1.124 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)O 237350354 AUCLUXBNGHOFAK-YPMHNXCESA-N 276.336 1.240 0 50 CDAA CCC1=NN(C(=O)C(C)C)[C@](O)(C(F)(F)F)C1 108280 OZLVZPOXYMOILR-SECBINFHSA-N 252.236 1.892 0 50 CDAA COc1ccc(OC)c([C@H]2N[C@H](C(=O)O)CS2)c1 146774 GKKMNMNGFBXVQW-ONGXEEELSA-N 269.322 1.492 0 50 CDAA CC(=O)Nc1ccc(NC(=O)c2cnccn2)cc1 204637 DCEPIVCSIAYBCM-UHFFFAOYSA-N 256.265 1.687 0 50 CDAA O=C(CN1C(=O)COc2ccccc21)NCc1ccco1 219666 VMMAEDPAIDGVGJ-UHFFFAOYSA-N 286.287 1.321 0 50 CDAA CC(C)NC[C@@H](O)COc1ccc(CC(=O)O)cc1 1849614 PUQIRTNPJRFRCZ-GFCCVEGCSA-N 267.325 1.051 0 50 CDAA in-vitro O=C(O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)O 2406205 ZPXCXBRPCFSCHI-VIFPVBQESA-N 285.683 1.388 0 50 CDAA COc1ccc(C=O)c(I)c1O 2766695 KLXKKFGRNPBWGM-UHFFFAOYSA-N 278.045 1.818 0 50 CDAA CC[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)n1cccn1 2356166033 UEXRISLJXQILDX-TUAOUCFPSA-N 279.340 1.594 0 50 CDAA COc1ccc(Cc2nn3c(=O)c(C)nnc3s2)cc1 6719723 HLZZJRLMVNVANU-UHFFFAOYSA-N 288.332 1.454 0 50 CDAA Nc1c(C(=O)NCC(=O)O)sc2nc3c(cc12)CCC3 8748734 QCQZOQFDWSALAZ-UHFFFAOYSA-N 291.332 1.182 0 50 CDAA COc1cc(C(=O)Nc2ccc(N3CCC3=O)cc2)on1 225611783 PCKBOZKACYLBGR-UHFFFAOYSA-N 287.275 1.672 0 50 CDAA C[C@@H](Sc1nncn1C)C(=O)Nc1nccs1 9225675 XNEMFVGERXKULJ-ZCFIWIBFSA-N 269.355 1.391 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1CC1(O)CCC(C)CC1 344378083 YSRDZMUUCGRZDR-GQKFXUNGSA-N 271.401 1.663 0 50 CDAA CO[C@@H]1C[C@@H](c2nncn2C)N(CCN2CCCCC2)C1 344507074 IRAZLPXGPNJLLW-KGLIPLIRSA-N 293.415 1.063 0 50 CDAA CCN(C/C=C/c1ccccc1)C(=O)C[C@H]1CNCCO1 55060776 WQMDMGWCRFPOME-FSNWXROXSA-N 288.391 1.927 0 50 CDAA CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 65363729 OWZZRSUWACQBIX-UHFFFAOYSA-N 290.772 1.486 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(c2nccc(C)n2)C1 347908586 XQNRTDZCCFWVJA-KBPBESRZSA-N 276.384 1.475 0 50 CDAA O[C@@H]1CCCN(CCCNC2CSCCSC2)C1 67472677 SHWFGPSZQKCBHU-CYBMUJFWSA-N 290.498 1.271 0 50 CDAA CC[C@]1(C)C(=O)NCCN1Cc1nc2ccccc2[nH]1 67935039 DMNWUGYENYPNNN-OAHLLOKOSA-N 272.352 1.663 0 50 CDAA COc1ccc(OC)c(-c2nnc3cnccn23)c1 32590571 FAWSBLXTQNZEAZ-UHFFFAOYSA-N 256.265 1.809 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1cccc2c1OCC2 67834453 BLANPUSQLHNRMB-STQMWFEESA-N 277.320 1.155 0 50 CDAA O=c1c(N2CCCCC2)nsnc1N1CCCCC1 22130621 WDMZVNNCWYVRDF-UHFFFAOYSA-N 280.397 1.879 0 50 CDAA CCOC(=O)N1CCN(Cc2nc(CC3CC3)no2)CC1 20877820 VSMNNORYAWQGKF-UHFFFAOYSA-N 294.355 1.296 0 50 CDAA C[C@H](Oc1ccccc1)c1ccnc2nc(N)nn12 167908 DSCTYAIKYWSTFP-VIFPVBQESA-N 255.281 1.847 0 50 CDAA Cc1noc(N)c1C(=O)Nc1ccc2c(c1)OCCO2 1430321 YFHDZYAMKOBIPX-UHFFFAOYSA-N 275.264 1.589 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC(=O)c2ncc(F)cc2F)n1 219313199 NRJBFGHMDYANLT-VIFPVBQESA-N 294.305 1.992 0 50 CDAA COc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1C 35993526 XZPHFVMVZXMMPY-UHFFFAOYSA-N 298.408 1.248 0 50 CDAA NC(=O)N1CCN(c2ncccc2C(F)(F)F)CC1 146946158 OUSOXBIYGMJWFG-UHFFFAOYSA-N 274.246 1.301 0 50 CDAA CC[C@H]1CN(Cc2ccccc2OCCO)CCO1 216367010 YUVJLAFLGXAQFY-AWEZNQCLSA-N 265.353 1.669 0 50 CDAA CN(C(=O)c1cc(C(=N)O)cs1)[C@@H]1CC(C)(C)OC1=O 328593090 ZJQTWMLUDHDWJC-MRVPVSSYSA-N 296.348 1.798 0 50 CDAA Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1cnn[nH]1 328596710 RRFOEUZHDPYRGR-UHFFFAOYSA-N 297.318 1.964 0 50 CDAA CCN(c1ncnc2c1ncn2CC)[C@@H]1CCOC1 328593965 DZFCGMRFOSGZSP-SNVBAGLBSA-N 261.329 1.461 0 50 CDAA c1ccc([C@H]2OCC[C@@H]2CN=c2ncnc3[nH][nH]cc2-3)cc1 328611404 LITSTMKRNCPYOE-TZMCWYRMSA-N 295.346 1.916 0 50 CDAA CCc1nc(CN2CCC[C@H]2CN(C(C)=O)C2CC2)n[nH]1 328649852 VGHQAJDXRQZFHW-ZDUSSCGKSA-N 291.399 1.342 0 50 CDAA Cc1ccc(C(=O)N(C)C[C@H]2CCc3nccn3C2)n1C 328624125 JSGMJKCXZIVYNH-CYBMUJFWSA-N 286.379 1.865 0 50 CDAA Cc1ccc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)o1 328648014 UGHBMUCMEMBBST-SNVBAGLBSA-N 276.296 1.407 0 50 CDAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NC(C)(C)C(N)=O)o1 360973964 WNVIDHPXNAOTNE-YTWAJWBKSA-N 290.363 1.887 0 50 CDAA CN(C)C(=O)N[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 368309032 XONZINYAFSBFRB-MYJAWHEDSA-N 269.345 1.123 0 50 CDAA C[C@H](O)C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 71748117 NVTJLUYTFIOYMR-VIFPVBQESA-N 289.310 1.481 0 50 CDAA Cn1ccnc1[C@H]1N(S(=O)(=O)CC2CC2)CC1(C)C 333141228 YUNLMOKIJPQUQN-LLVKDONJSA-N 283.397 1.543 0 50 CDAA CC(C)CONC(=O)N1CCN(c2nccs2)CC1 128058182 FMONZBGXABETOW-UHFFFAOYSA-N 284.385 1.562 0 50 CDAA CO[C@H]1CCN(C(=O)N=c2ccc(C3CC3)n[nH]2)C1 333603797 VOXAAQOAWBLQDI-JTQLQIEISA-N 262.313 1.029 0 50 CDAA O=C(Cc1ccccc1)N[C@H](C(=O)O)[C@H]1CCCOC1 262749357 JTXSRHJBEOSIFQ-JSGCOSHPSA-N 277.320 1.225 0 50 CDAA CN(C)C/C=C/C(=O)NCc1ccc2ccccc2n1 491866949 KAQAPPKPSIWDMN-VMPITWQZSA-N 269.348 1.969 0 50 CDAA CNC(=O)[C@H]1CCN(C(=O)c2ccc(F)c(OC)c2)C1 218963034 BGQCYXYVXCXPQI-JTQLQIEISA-N 280.299 1.042 0 50 CDAA O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cccc(CO)c1 492586803 ZJLWKBBUBXBWOZ-QWHCGFSZSA-N 277.364 1.707 0 50 CDAA O=C(c1cc(C2CC2)on1)N1CCN[C@H](c2ccncc2)C1 374371965 MUNOUTYZKOXXAN-AWEZNQCLSA-N 298.346 1.734 0 50 CDAA CCc1oc(C(=O)N2CC[C@](O)(C(F)F)C2)cc1C 334542596 JDQWGXCWLSOMJK-CYBMUJFWSA-N 273.279 1.993 0 50 CDAA Cc1c(CNC(=O)c2cc3[nH]cnc3cc2F)cnn1C 241969497 UWQQIJSMUFQYDW-UHFFFAOYSA-N 287.298 1.674 0 50 CDAA CC1=C[C@@H](C)CN(C(=O)C2(S(C)(=O)=O)CCC2)C1 334919645 ODQQCDWXICZWJJ-SNVBAGLBSA-N 271.382 1.378 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C(=O)O 262541331 RKALTKGRLPHDFB-MGPQQGTHSA-N 289.331 1.622 0 50 CDAA O=C(NCCC(=O)N1CCCC1)Nc1cccnc1Cl 49206983 KILGFUMMJTYFRG-UHFFFAOYSA-N 296.758 1.869 0 50 CDAA O=C(CCOc1ccccc1)NC1(C(=O)O)CCOCC1 131762248 WSKYNCKADDLJTG-UHFFFAOYSA-N 293.319 1.206 0 50 CDAA COc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)ccc1F 222537729 ZVAQCNMLIHBMGQ-YABSGUDNSA-N 279.311 1.677 0 50 CDAA Cc1nc(S)sc1CC(=O)N[C@H]1CCC[C@H]1O 132878529 OBMSTRMSTWQYDW-JGVFFNPUSA-N 272.395 1.312 0 50 CDAA COc1cc(C(=O)N2CCC[C@H]2C(F)(F)F)on1 527629564 KNLXVPIGVBBMIW-ZETCQYMHSA-N 264.203 1.850 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](O)C2)c2ccc(F)cc2n1 82108998 JIKWNONTBDGMCA-NSHDSACASA-N 274.295 1.889 0 50 CDAA Cc1[nH]c(C(=O)N2CCCO[C@@H](C)C2)c(C)c1C(=O)O 426707605 ZYXLGCUSTQJXKS-QMMMGPOBSA-N 280.324 1.581 0 50 CDAA CCn1cnc2c(N(C)C[C@H](C)C(=O)O)ncnc21 263538478 BAJTUTMZGGXAOM-QMMMGPOBSA-N 263.301 1.003 0 50 CDAA Cc1nn(C(C)C)cc1C(=O)N1CCC2(CN(C)C2)C1 614033213 ICRFGBUGGNEPLY-UHFFFAOYSA-N 276.384 1.550 0 50 CDAA O=C(c1ccc(CN2CCCCC2)cc1)N1CC(O)C1 97499502 DDNUQVWOHFHILX-UHFFFAOYSA-N 274.364 1.489 0 50 CDAA CCCN(CCO)C(=O)c1cnc(C(C)C)nc1 97773200 XIPOHKYHOXWQIC-UHFFFAOYSA-N 251.330 1.445 0 50 CDAA CCc1cc(C[C@H]2CCCCO2)nc(N2CCOCC2)n1 91621126 YPUYSPVLIKVTKU-OAHLLOKOSA-N 291.395 1.987 0 50 CDAA C[C@H](C(=O)N(C)Cc1cnc2ccccc2n1)N(C)C 426486005 FKVXJGBVQNFHJV-LLVKDONJSA-N 272.352 1.538 0 50 CDAA c1cc2nncn2nc1-n1nc(CC2CC2)nc1C1CCC1 91425577 NPOGWALLLIKDEE-UHFFFAOYSA-N 295.350 1.925 0 50 CDAA COc1cc(F)c(CN2CCOC2=O)cc1OC 95505588 UDYHWVBHASHCIL-UHFFFAOYSA-N 255.245 1.795 0 50 CDAA COCCCN(C)C(=O)c1cc(OC)cc(C(=O)O)c1 426571638 QFPBZQQVUXXBMM-UHFFFAOYSA-N 281.308 1.502 0 50 CDAA COc1cc(C)sc1C(=O)N[C@@H]1CCCNC1 97570956 ABOJBDMWSLDGDH-SECBINFHSA-N 254.355 1.547 0 50 CDAA Cc1ccc(NC[C@@H]2CCN([C@H]3C[C@H](C)OC3=O)C2)nc1 230165295 VSASMZSSGSEMJL-IHRRRGAJSA-N 289.379 1.828 0 50 CDAA NCCCNC(=O)COc1ccc(Cl)c2cccnc12 238075819 SSRGPBJLKUEWLZ-UHFFFAOYSA-N 293.754 1.732 0 50 CDAA O=c1cc(N2CCCCC2)cnn1CCCn1cccn1 95365673 VGHNDTXAOPTVAI-UHFFFAOYSA-N 287.367 1.520 0 50 CDAA O=C1NCCCN(C(=O)c2cc[nH]c2)[C@H]1Cc1ccccc1 294460489 QJDDMDSTNYYECR-HNNXBMFYSA-N 297.358 1.588 0 50 CDAA Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)no1 97775974 DCBLQJFNSZXHLS-AAEUAGOBSA-N 257.293 1.338 0 50 CDAA Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1CC(C)(C)O 90685578 JFOCTAMIXFTZBB-UHFFFAOYSA-N 290.319 1.417 0 50 CDAA CC[C@](C)(CC(=O)O)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 237110180 KOTJAOUGFFLIDT-IINYFYTJSA-N 284.356 1.003 0 50 CDAA CC(C)(C)c1cc(-c2nc3c([nH]2)CCCNC3=O)[nH]n1 95363964 BLBSGBUBENTMNO-UHFFFAOYSA-N 273.340 1.773 0 50 CDAA CN(Cc1nccs1)[C@@H](C(=O)O)c1ccc(CO)cc1 95378681 UTWRODIEKRDGOR-CYBMUJFWSA-N 292.360 1.893 0 50 CDAA COC(=O)C1=C(C(=O)OC)[C@H]2C3C4[C@@H]5C=C[C@@H]4[C@@H]2[C@H]5[C@H]13 254793838 XRAWORWDCDAGNT-METNIBSFSA-N 272.300 1.183 0 50 CDAA O=C(COc1ccc(F)cc1)N[C@@H]1C[C@H]2OCC[C@@H]12 1074594457 NPRVAJOREMIWHZ-YNEHKIRRSA-N 265.284 1.498 0 50 CDAA C[C@@H](CC(=O)N1CCC(C)(C(=O)O)CC1)N1CCCC1 534589622 UFQOJSKZBAVFPD-LBPRGKRZSA-N 282.384 1.574 0 50 CDAA CC[C@H](NC(=O)c1cn2ccccc2n1)c1ncnn1C 534667852 PTGSNSKNUPZLRD-JTQLQIEISA-N 284.323 1.344 0 50 CDAA CSCC[C@H](C(=O)NCCn1ccnc1)n1cccc1 263588703 XKOLLLBXDSCORE-CYBMUJFWSA-N 292.408 1.795 0 50 CDAA CCn1nccc1S(=O)(=O)NCC1(C(C)C)CC1 274640015 LWZWAPPZFONRPX-UHFFFAOYSA-N 271.386 1.618 0 50 CDAA CC(C)n1[nH]cnc1=NC(=O)c1ccc2ccn(C)c2n1 1940195361 OKDTWCHRUYFPOV-UHFFFAOYSA-N 284.323 1.420 0 50 CDAA CCCCOCC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 299768456 ORSDNZWVPHRMHL-UHFFFAOYSA-N 293.367 1.116 0 50 CDAA Cn1nccc1C(=O)N1CCN(C2CCCCC2)C(=O)C1 828286432 PXLNHVVCFNESQF-UHFFFAOYSA-N 290.367 1.037 0 50 CDAA COCCC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 824371986 UPKJULDCYKXFFO-UHFFFAOYSA-N 276.336 1.483 0 50 CDAA CCc1nc(C)c(C(=O)NCCCn2ccccc2=O)o1 584887854 SKGABJYBFVLKOI-UHFFFAOYSA-N 289.335 1.527 0 50 CDAA O=c1c2nccnc2ncn1CCc1cn2ccccc2n1 584893089 SNMJOJORQBHSPH-UHFFFAOYSA-N 292.302 1.077 0 50 CDAA CN=c1[nH]c(C(=O)NCc2noc(CC(C)C)n2)cs1 584893645 YINQHSIPEFMLIY-UHFFFAOYSA-N 295.368 1.118 0 50 CDAA Cc1nc([C@@H](C)NC(=O)Cc2c(C)noc2C)n[nH]1 670452987 SUVWGVCCZVLTSI-SSDOTTSWSA-N 263.301 1.138 0 50 CDAA O=c1c2c(Cl)cccc2ncn1CCO[C@H]1CCOC1 1413941825 DUFFUPRTKDCXAN-JTQLQIEISA-N 294.738 1.855 0 50 CDAA O=c1[nH]cc(Cl)cc1I 66054230 DKIIUJUXHIPYFQ-UHFFFAOYSA-N 255.442 1.633 0 50 CDAA in-vitro CCCN1CCC[C@H](Nc2ncc(F)c(OC)n2)C1 952862163 MVBUQUCIJOWYRA-JTQLQIEISA-N 268.336 1.911 0 50 CDAA CCc1cnc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)nc1 1565530062 AIFVOTAXASTWCE-RNJOBUHISA-N 262.357 1.168 0 50 CDAA COc1cc(N[C@H]2C[C@H]3OCC[C@@H]23)nc(OC)n1 1565506539 QBRPDSNSHOCENT-XHNCKOQMSA-N 251.286 1.083 0 50 CDAA Cc1nccn1CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 1565515518 QXEISVJMKQKSBL-KBPBESRZSA-N 277.368 1.752 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)CO1 408413867 WLDJLDNENRXZOX-RAIGVLPGSA-N 288.347 1.102 0 50 CDAA C[C@@H]1CN(C(=O)c2c(O)cccc2F)C[C@@]2(CCOC2)O1 408416783 VWFCLVXOJRJVEM-MEBBXXQBSA-N 295.310 1.551 0 50 CDAA COc1cc(CCNC(=O)[C@@H]2C[C@H]2C(=O)O)ccc1C 268874159 AKJMANMHDCHCFR-VXGBXAGGSA-N 277.320 1.383 0 50 CDAA CC1(C2(NC(=O)c3ccc(C(N)=O)cc3)CC2)CC1 408520779 WOLLOSRFRIEEOE-UHFFFAOYSA-N 258.321 1.848 0 50 CDAA CC(C)CCNC(=O)[C@H](C)N1CCC[C@@H](C(=O)O)C1 222640324 BBSGIUADHNMVDC-NWDGAFQWSA-N 270.373 1.334 0 50 CDAA NCCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 269131889 VOQHVMPHQQEOTA-UONOGXRCSA-N 262.353 1.450 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccnc(F)c2)[C@@H]1CN 170677067 DHKJKYIJEWVMTQ-GXSJLCMTSA-N 251.305 1.420 0 50 CDAA CC(C)(C)[C@@H]1CN(S(=O)(=O)c2cccnc2)CCO1 279806068 PNYWAGHMCCTUPU-LBPRGKRZSA-N 284.381 1.517 0 50 CDAA COCC1=CCN(c2cn[nH]c(=O)c2Cl)CC1 274626341 MHGHHOCCTZKLFD-UHFFFAOYSA-N 255.705 1.206 0 50 CDAA Cn1ccc(CN[C@H]2CCCN(c3nccnc3O)C2)c1 275611454 QYAWLJGIOKSCOV-ZDUSSCGKSA-N 287.367 1.279 0 50 CDAA CCN1CCCN(C(=O)c2cc(F)ccc2F)CC1=O 190441121 FRPPFTUISQMNAU-UHFFFAOYSA-N 282.290 1.659 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1ccc(C)c(F)c1 643763152 VBJRXQSTGSKNLM-HNNXBMFYSA-N 280.343 1.600 0 50 CDAA Cc1cc(CC(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)no1 644807820 GLYACXRXPWYYCP-PSASIEDQSA-N 291.273 1.406 0 50 CDAA O=C(O)C1CCN(C(=O)C[C@H]2OCc3ccccc32)CC1 653472340 MUHZJCZYUKWPSP-CQSZACIVSA-N 289.331 1.971 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)NCC2CC2)C1(C)C 195578218 NYFYVHHWXUPHDK-RISCZKNCSA-N 270.373 1.262 0 50 CDAA C[C@@]1(CN)CCN(C(=O)c2cc3c(s2)CCNC3)C1 662560370 IQPFCGSQVKUIPK-AWEZNQCLSA-N 279.409 1.205 0 50 CDAA N[C@@H]1CC[C@@H](NC(=O)c2cccc3nccnc23)C1 71762969 YHPBJGDNJRLGSW-NXEZZACHSA-N 256.309 1.239 0 50 CDAA C[C@@H](O)CNc1cc(N2CCC[C@@H](F)C2)ncn1 581930763 JIXLEOOSLZHNAD-NXEZZACHSA-N 254.309 1.208 0 50 CDAA CCn1cc([C@@H](C)NC(=O)c2cn3c(n2)CCC3)cn1 584608515 ROUFCSXLUCUHJU-SNVBAGLBSA-N 273.340 1.537 0 50 CDAA CCc1nc(O)sc1S(=O)(=O)NCC1(CC)CC1 585115598 JQTBEGINUPKIOY-UHFFFAOYSA-N 290.410 1.880 0 50 CDAA CCN(Cc1ccncc1)C(=O)c1nc[nH]c1C(=O)O 88657054 AXUUGHWAILICDY-UHFFFAOYSA-N 274.280 1.165 0 50 CDAA N[C@@H](Cc1cn([C@@H]2C=CCCCCC2)nn1)C(=O)O 1601176353 ONLLVNIOUWOCQK-NEPJUHHUSA-N 264.329 1.294 0 50 CDAA OC[C@@H](O)C1CCN(c2cnc3ccccc3n2)CC1 1772819928 XUJKZVSTJQXXJJ-CQSZACIVSA-N 273.336 1.199 0 50 CDAA CC(C)N1CC[C@H](CN(C)CCCn2ccnc2)C1 1506402950 LDBZVSSLMFJTPG-OAHLLOKOSA-N 264.417 1.935 0 50 CDAA COc1cc(N(C)CCCc2c(C)n[nH]c2C)nc(N)n1 1506425259 ODBKCBYEDYJJLD-UHFFFAOYSA-N 290.371 1.476 0 50 CDAA O=C(C1CCCC1)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1529174225 QWCYHZGODNAELH-CABCVRRESA-N 274.364 1.634 0 50 CDAA CC(C)N1CN(CCCC(=O)O)CSC1=S 1857526159 SDSJOUULFAEODC-UHFFFAOYSA-N 262.400 1.810 0 50 CDAA COc1ccc(C)nc1N1CCC[C@H](CS(C)(=O)=O)C1 1857666932 ZDMAJQSKCCOCQN-LBPRGKRZSA-N 298.408 1.660 0 50 CDAA OC[C@H]1C[C@@H]2OCCN(Cc3ccccc3F)[C@H]2C1 1857668325 GYELJSYVQCMQAW-UGFHNGPFSA-N 265.328 1.797 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 5252975 TUZRKETZXNMRCF-SECBINFHSA-N 253.685 1.773 0 50 CDAA in-vitro CC(C)[C@@H](CNC(=O)CC1(O)CCCCC1)ON 1875309304 GBLRFPXAMMGDDZ-LLVKDONJSA-N 258.362 1.103 0 50 CDAA COc1cccc(NC(=O)N2CCC(C)(CO)CC2)n1 667328007 BSYKAHMDGRNTFN-UHFFFAOYSA-N 279.340 1.717 0 50 CDAA COC(=O)CCCC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 159227239 HZWQHZOYVWXBQQ-CHWSQXEVSA-N 282.384 1.272 0 50 CDAA CCOC[C@H](O)CN1CCC[C@@H](N2CCCCC2)C1 229675556 SPUUREFEEZSIIY-HUUCEWRRSA-N 270.417 1.334 0 50 CDAA CCOC(CN1CC(=O)N[C@H]2CCCC[C@H]21)OCC 230113683 MRBKZPOMDOIKKE-NWDGAFQWSA-N 270.373 1.129 0 50 CDAA CC(C)NC(=O)c1nnn(-c2ccc(F)cc2)c1N 16648495 NXUNHTNBQXDGFH-UHFFFAOYSA-N 263.276 1.127 0 50 CDAA Cc1cccc(C)c1NC(=O)N1C[C@H]2CNC[C@@]2(CO)C1 1772702049 QHDSSKOELDLMFT-CJNGLKHVSA-N 289.379 1.349 0 50 CDAA COc1ccc(CNC(=O)[C@@H]2CCCN2C)cc1OC 5171218 XDICPEWCQDSCJS-LBPRGKRZSA-N 278.352 1.414 0 50 CDAA COC[C@H](C)NC(=O)c1ccc(N2CCOCC2)cc1 12383544 VCTKXWPUWUEOHC-LBPRGKRZSA-N 278.352 1.288 0 50 CDAA O=C(NCCC(=O)N1CCOCC1)c1ccccc1Cl 15420896 HPTOQRVGZMXPIH-UHFFFAOYSA-N 296.754 1.319 0 50 CDAA CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O 16033560 XVSZLKIPUMTCOW-GFCCVEGCSA-N 294.307 1.689 0 50 CDAA CCOC(=O)C[C@H]1COCCN1C(=O)c1cncc(C)c1 19145804 BWISSLQUXVUCFC-ZDUSSCGKSA-N 292.335 1.184 0 50 CDAA O[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 19607180 XWJKGJYZVKNBCC-YYUOFMGYSA-N 295.423 1.665 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)cc1 19685901 YRZWIHBEJNXXFX-GFCCVEGCSA-N 297.376 1.870 0 50 CDAA Cc1nc(NC(=O)CN2CCOCC2)sc1C 19852618 GJQUCDDZOFAKTH-UHFFFAOYSA-N 255.343 1.031 0 50 CDAA Cc1cc(C)n([C@H]2CCN(c3n[nH]c(=N)s3)C2)n1 1857670581 VYPTVBUCVWWAMJ-VIFPVBQESA-N 264.358 1.215 0 50 CDAA O=C(CNc1cccnc1)NCc1nc2ncccc2o1 1857679258 QRFJRCGCRIFAFR-UHFFFAOYSA-N 283.291 1.346 0 50 CDAA CCN1CCN(C(=O)c2cc[nH]c2)C[C@H]1c1nccn1C 328628982 OHQBVFOPPMPPCL-ZDUSSCGKSA-N 287.367 1.267 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)CC[C@H]1CCOC1 328631608 RCBFURMONGTOGF-KBPBESRZSA-N 291.395 1.721 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2CN)nn1C 236598913 GGVVZINHSUBEPM-BXUZGUMPSA-N 278.400 1.743 0 50 CDAA CC(C)CCn1cc(C(=O)N2CCC[C@@H]2C(=O)O)nn1 236644884 BEULHAHOWRPAJM-LLVKDONJSA-N 280.328 1.013 0 50 CDAA C[C@H]1CCCN1CC(=O)N[C@H](Cc1ccccc1)C(=O)O 237576599 PKALSIWDPOVLNL-GXTWGEPZSA-N 290.363 1.283 0 50 CDAA CCc1ncsc1C(=O)Nc1ccn(CC(=O)O)n1 663145397 SFPBMTIBOHATMQ-UHFFFAOYSA-N 280.309 1.239 0 50 CDAA CCc1nc(CN2[C@H](C(=O)OC)C[C@@H]3CCCC[C@H]32)n[nH]1 248481823 ILRMZAFCWCZFEF-TUAOUCFPSA-N 292.383 1.673 0 50 CDAA C[C@H](c1nnnn1C)N1CCO[C@@H](c2cccc(F)c2)C1 249365331 OJHWULHHLMDDBD-ZWNOBZJWSA-N 291.330 1.484 0 50 CDAA CCn1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cn1 249699675 XAXWODCOMZAIBJ-NEPJUHHUSA-N 277.324 1.086 0 50 CDAA CC(C)OC[C@@H]1CN(C(=O)c2ccnc(O)c2)CCO1 372185663 KEJSBULJJKLPBY-LBPRGKRZSA-N 280.324 1.053 0 50 CDAA CC1(C)O[C@H]2O[C@H](CO)[C@H](OCc3ccccc3)[C@H]2O1 34629528 ACGQAKYHAOEVJI-XJFOESAGSA-N 280.320 1.441 0 50 CDAA O=C(c1cccc2nn[nH]c12)N1CC[C@@H]2OCCC[C@@H]2C1 163670800 KTGFVBXROBKCHL-MFKMUULPSA-N 286.335 1.599 0 50 CDAA O=C(O)c1ccnc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1 902106504 XOUXUKUVKMZICZ-PWSUYJOCSA-N 276.292 1.533 0 50 CDAA Cc1ncoc1CNS(=O)(=O)c1cn(CC(C)C)cn1 907598151 OXDAFTKTJRBOIG-UHFFFAOYSA-N 298.368 1.314 0 50 CDAA CC(=O)N1CCC[C@H]1c1nc(-c2cnn(C)n2)cs1 864369567 VZTWNUFBZLREJA-NSHDSACASA-N 277.353 1.622 0 50 CDAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccco3)CC2)O1 952888181 GEQOAKKIAMZBKX-NWDGAFQWSA-N 292.335 1.165 0 50 CDAA Cc1nc2[nH][nH]cc-2c(=NCCc2ccns2)n1 1875286759 DQKGCYLCOJPWEI-UHFFFAOYSA-N 260.326 1.146 0 50 CDAA COC(=O)c1ccc2c(c1)nc(NC(=O)c1ccc[nH]1)n2C 1875344617 NALMCFAZHFUOOO-UHFFFAOYSA-N 298.302 1.940 0 50 CDAA C=CC(=O)N(C)CC(=O)NC[C@@H](C)c1cc(F)cc(F)c1 1875370315 JZFCZCULEZRPPH-SNVBAGLBSA-N 296.317 1.829 0 50 CDAA COc1nc2ccccc2cc1C(=O)NCC1OCCO1 1875330137 MYNMXJSZQXORFQ-UHFFFAOYSA-N 288.303 1.346 0 50 CDAA Cn1cc(C[N@@]2C[C@H]2COc2ccc3c(c2)C(=O)OC3)cn1 1875378415 CQMMADRLMYWRDI-DJJJIMSYSA-N 299.330 1.354 0 50 CDAA CC(C)=CCN1CCC[C@](O)(Cc2nncn2C)C1 886088126 CHOYYUOSYMWGQZ-AWEZNQCLSA-N 264.373 1.151 0 50 CDAA c1cn(C2CC2)c(CN2CCC[C@H](n3cncn3)C2)n1 891943881 HXVJGSVAFWAQMG-ZDUSSCGKSA-N 272.356 1.647 0 50 CDAA Cc1nc(CNc2ccn(CCO)n2)sc1C 893363279 HTOBCENVMHOHEO-UHFFFAOYSA-N 252.343 1.561 0 50 CDAA COc1ccc2c(=O)n([C@@H]3CCCOC3)ncc2c1 899354003 BGDAQNWKZLJNPP-LLVKDONJSA-N 260.293 1.757 0 50 CDAA Cc1nnsc1CN1CCCN(c2ncccn2)CC1 252487794 IBRUDBLMPLDVFN-UHFFFAOYSA-N 290.396 1.349 0 50 CDAA c1cnc(N2CCN([C@@H]3CCSC3)CC2)nc1 23282616 SSZODLMWUJPRBQ-LLVKDONJSA-N 250.371 1.104 0 50 CDAA COc1ccc(CN(C)C(=O)C2(C(=O)O)CC2)cc1F 154759744 JXXCAHAYRUABBU-UHFFFAOYSA-N 281.283 1.658 0 50 CDAA CC(C)N(CC(=O)O)S(=O)(=O)c1ccsc1 261572786 IHNKFNQSEXTUKV-UHFFFAOYSA-N 263.340 1.232 0 50 CDAA CCc1ccccc1C(=O)N1CCC(O)(C(=O)O)CC1 262780634 OCKZPDSWNXVGBZ-UHFFFAOYSA-N 277.320 1.301 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NC1CC(c2ccccc2)C1 268933980 ZWFGQYNUPQHJKN-TYUFSLCMSA-N 259.305 1.770 0 50 CDAA FC(F)(F)CN1CCN(CC[C@@H]2CCOC2)CC1 437574249 AXBUOMBAAUQPFM-LLVKDONJSA-N 266.307 1.593 0 50 CDAA COc1ccc(Cl)c(Cn2cnccc2=O)c1 335754464 USUPIFOQGMPGMK-UHFFFAOYSA-N 250.685 1.954 0 50 CDAA Cc1ccc(C(=O)O)c(N2CCO[C@H](C3CC3)C2)n1 710064594 ACQYYBQLPYHBON-LBPRGKRZSA-N 262.309 1.703 0 50 CDAA CC(C)OCC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907941631 SXZOFDLNRPARPE-XWLWVQCSSA-N 255.314 1.027 0 50 CDAA Cc1nc(-c2nnc3n2CCSCC3)cs1 2100483383 PRWXMHFUBLNSDH-UHFFFAOYSA-N 252.368 1.999 0 50 CDAA COc1ccc(-c2nc(-n3ccnc3)n[nH]2)c(OC)c1 2100537118 JHRUNACMVHSZPO-UHFFFAOYSA-N 271.280 1.675 0 50 CDAA COc1cc2c(cc1-c1ncc(C(=O)O)n1C)OCO2 2100539633 QTLRTVJDZQSKEK-UHFFFAOYSA-N 276.248 1.523 0 50 CDAA C[C@@H](NC1=NC[C@@H]2CSCCN12)c1ccns1 2325771458 YKSHJLTYYPDCGK-RKDXNWHRSA-N 268.411 1.581 0 50 CDAA Cc1cc(C)nc(CSc2nc(C)nc(=N)[nH]2)c1 2325772618 GSCQPKYGJRYEPI-UHFFFAOYSA-N 261.354 1.897 0 50 CDAA COc1ccc(C(=O)c2cn([C@H](C)C(=O)O)nn2)cc1 2325869981 DYUAQCKLTVBHCE-MRVPVSSYSA-N 275.264 1.163 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 28409 NWRGSNIXTLZBBB-UHFFFAOYSA-N 270.354 1.722 0 50 CDAA COC(=O)C[C@]1(C)OC[C@@H](CN2CCCCC2)O1 191956 GMGIMSPSNKVNFU-DGCLKSJQSA-N 257.330 1.167 0 50 CDAA COC(=O)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 205302 KCFVGPBYSHTOJY-HZGVNTEJSA-N 266.219 1.866 0 50 CDAA C[C@@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 319279 MGBMWLCECWIBOG-NXEZZACHSA-N 280.349 1.245 0 50 CDAA CN(C)c1cccc2c(S(=O)(=O)NCCN)cccc12 1642348 CSJXLKVNKAXFSI-UHFFFAOYSA-N 293.392 1.143 0 50 CDAA in-vitro CCOC(=O)CNC(=O)Nc1ccc(F)cc1F 2167751 DJGPYRHWODDPSJ-UHFFFAOYSA-N 258.224 1.649 0 50 CDAA O=C(NC[C@H](O)c1cccc(O)n1)c1cc(C2CC2)no1 2356156666 MBEIQGCZCXQHHK-NSHDSACASA-N 289.291 1.116 0 50 CDAA O=C(NCc1ccco1)C(=O)N1CCCCCC1 4122217 YCDQLFZPGUBAEX-UHFFFAOYSA-N 250.298 1.298 0 50 CDAA CC1(C)[C@H]2C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]21 100162646 GZHUFBQLZMZFFG-NXEZZACHSA-N 259.261 1.530 0 50 CDAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cc[nH]n1 100777755 KAFDLCZZUNXGPU-HTQZYQBOSA-N 251.673 1.432 0 50 CDAA Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(N)=O 10314493 OHIGZWRMDUTPIV-UHFFFAOYSA-N 290.344 1.895 0 50 CDAA Cn1cncc1CCOC(=O)[C@H]1CC1(Cl)Cl 225607340 LPKKEBHSXWPNGM-MRVPVSSYSA-N 263.124 1.700 0 50 CDAA COCC1(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)CCC1 65399288 CPNAHJMDKHZHGL-JTQLQIEISA-N 265.357 1.582 0 50 CDAA Cn1ccnc1CN(CCO)C(=O)[C@@H]1CC=CCC1 67981947 QJQIQCJXDQQVFH-GFCCVEGCSA-N 263.341 1.097 0 50 CDAA CCn1ccnc1CN(C)c1cc(N(C)C)ncn1 65385341 DSUOHICPFVPRIQ-UHFFFAOYSA-N 260.345 1.395 0 50 CDAA O=C(NCCc1ncc[nH]1)c1ccc(Cl)cn1 135480537 MHXHVWVCVQOGLA-UHFFFAOYSA-N 250.689 1.431 0 50 CDAA CC/C=C(\C)CN1CC[C@H](CNC(=O)c2nc[nH]n2)C1 67879041 VXMKLOHBYZZZSM-KBVBDRTLSA-N 277.372 1.213 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1Cc1ccccc1 115451995 HPAYEMRCHCWDMA-LPWJVIDDSA-N 255.273 1.125 0 50 CDAA CCCc1cc(NC[C@H]2CCCN2)n2nccc2n1 72412109 FAPRYUYQZNZYBE-GFCCVEGCSA-N 259.357 1.846 0 50 CDAA C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1c[nH]nn1 118985819 FADNYNMDTALVPK-NOZJJQNGSA-N 272.308 1.269 0 50 CDAA Cn1cc(-c2cncc(C(=O)N[C@@H]3C=C[C@H](CO)C3)c2)cn1 363591997 JOCYNUXIPKWKAQ-XHDPSFHLSA-N 298.346 1.149 0 50 CDAA NS(=O)(=O)c1ccc(-c2cccc(C(=O)O)c2)cc1 65336925 JZRKLNYQOQWANL-UHFFFAOYSA-N 277.301 1.699 0 50 CDAA CCCO[C@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 67112016 SQDIXZDEMAXNBY-ZDUSSCGKSA-N 278.352 1.417 0 50 CDAA CCOc1cc2c(cc1OCC)[C@@H](C(CO)CO)NCC2 32099029 DLPCTIQNIDHILA-MRXNPFEDSA-N 295.379 1.272 0 50 CDAA C[C@]12CCC(=O)N1[C@H](C(=O)N1C[C@H]3CCC[C@H]3C1)CS2 154049633 WXSKQXPUGBARTM-OXIQGZBJSA-N 294.420 1.699 0 50 CDAA C[C@H](C(=O)N=c1ccn([C@@H]2CCNC2)[nH]1)c1ccsc1 328631445 QYDYDIFBWUIRTR-CMPLNLGQSA-N 290.392 1.643 0 50 CDAA Cc1cc(N(C)CCn2cccn2)n2nc(C)cc2n1 72431198 KBTCXJGGTWDISA-UHFFFAOYSA-N 270.340 1.679 0 50 CDAA C=CC(=O)NCCC(=O)N1C[C@H]2CCCN2c2ccccc21 490624067 NWITXRHNHYBPEY-CYBMUJFWSA-N 299.374 1.694 0 50 CDAA Cc1csc2c(=O)n([C@@H](CO)C(C)C)cnc12 32529604 LTWPANZXTIIQFC-VIFPVBQESA-N 252.339 1.956 0 50 CDAA CN(Cc1ccccc1C(=O)O)CC1(CO)CCOCC1 215944388 YBURQOVWNZHGHB-UHFFFAOYSA-N 293.363 1.606 0 50 CDAA C[C@H](NC(=O)/C=C/CN(C)C)[C@H]1CCCN(C2CCC2)C1 492446345 JALOTOMAJLYXSP-LZPJFDPBSA-N 293.455 1.873 0 50 CDAA COc1ccc(NC(=O)C[C@H]2CCCCNC2=O)c(C)n1 374217401 OEFTVMJBMPRXGE-LLVKDONJSA-N 291.351 1.644 0 50 CDAA Cc1cc(C(=O)NC[C@@H](C)Oc2cccnc2)cc(=O)[nH]1 215809584 PRSHTSLKOPTXEA-LLVKDONJSA-N 287.319 1.276 0 50 CDAA CN(C)c1ncc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=N)O)n1C 333462219 LVCKGBHZPWTALW-UHTWSYAYSA-N 291.399 1.622 0 50 CDAA NC(=O)c1ccc(N2CC[C@H](O)c3ccccc3C2)nn1 374933137 XJWOKYWMDBJRGF-ZDUSSCGKSA-N 284.319 1.019 0 50 CDAA Cc1ccn(CCC(=O)N(C)CC[C@@H]2CCCCO2)n1 215915936 WWEQSWZLGDOFLW-AWEZNQCLSA-N 279.384 1.999 0 50 CDAA O=C(NC[C@@H]1CCCC1(F)F)c1cc2n(n1)CCO2 333826443 KSRYPWQPPPHEOG-QMMMGPOBSA-N 271.267 1.441 0 50 CDAA CO[C@H]1CCN(C(=O)N[C@H]2COCc3ccccc32)C1 333902881 JBFSNSAKIHCHQK-JSGCOSHPSA-N 276.336 1.688 0 50 CDAA CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](C)C2(CCC2)C1 378415311 NJFUKGMUYSUILF-NWDGAFQWSA-N 281.400 1.862 0 50 CDAA COc1c[nH]c(C(=O)N2CC(c3cccnc3)C2)cc1=O 72159342 XXFJUXOPNLHOOX-UHFFFAOYSA-N 285.303 1.018 0 50 CDAA O=C(CCc1ccc(F)cc1F)N[C@@H]1COCC[C@H]1O 220570061 GQSAIAYEVRAOBL-CHWSQXEVSA-N 285.290 1.163 0 50 CDAA COc1ccc(-c2ccc(=O)n(CC(=O)O)n2)c(F)c1 41127936 QXBLODFBZBHAPA-UHFFFAOYSA-N 278.239 1.143 0 50 CDAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@H]2CCNC2)C1 263284576 TZLRTSGBDOAQIH-PMPSAXMXSA-N 293.455 1.709 0 50 CDAA O=C(CSc1cccc(O)c1)N1CCOCC1 130884666 MKOYRMRIIYRYRA-UHFFFAOYSA-N 253.323 1.343 0 50 CDAA CCCn1cc(I)c(CC(=O)O)n1 223249761 PEEKGGJZMUEXHH-UHFFFAOYSA-N 294.092 1.525 0 50 CDAA Cc1ccsc1CN(C)C(=O)[C@H]1COCCO1 47953811 LURSSTWSERQWQQ-SNVBAGLBSA-N 255.339 1.430 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)NCCc1cnn(C)c1)C2 426503278 LQSHBWUDBHWUAT-WDNDVIMCSA-N 292.383 1.029 0 50 CDAA CCCN(CCO)C(=O)N[C@H](C)c1ccc(C)nc1 426490087 CXGLGDRZWVRMQJ-GFCCVEGCSA-N 265.357 1.865 0 50 CDAA COc1ccc(F)cc1CC(=O)N1CC[C@@](F)(C(=O)O)C1 263529731 LUZDHETYBJKDOO-AWEZNQCLSA-N 299.273 1.402 0 50 CDAA CN1CC[C@@H](N(C)C(=O)c2nc3ccccc3[nH]2)C1 426497159 HQIFHUCHKPDLDY-SNVBAGLBSA-N 258.325 1.339 0 50 CDAA COc1ccsc1C(=O)N1CCC[C@@H]1C(=O)O 161365336 LDPBOXSOCAUTAA-SSDOTTSWSA-N 255.295 1.446 0 50 CDAA Fc1ccc(N2CCN(c3ncncn3)CC2)cc1Cl 220460830 LUUIVXYVTDDTBZ-UHFFFAOYSA-N 293.733 1.991 0 50 CDAA O=C(Cn1nccc1[C@@H]1CCCNC1)NCC(F)(F)F 426498747 RIWHREULNRZVPR-SECBINFHSA-N 290.289 1.029 0 50 CDAA Cc1ccc(OCC(=O)N2CC[C@H](CN)C2)cc1C 178534913 DHEKFWLHSWEPHZ-CYBMUJFWSA-N 262.353 1.489 0 50 CDAA CCc1c(C(=O)N[C@H](CC)C(N)=O)cnn1C(C)(C)C 291808533 XTWOIHNFBADUEL-SNVBAGLBSA-N 280.372 1.194 0 50 CDAA Cn1nccc1CCC(=O)NCC1(O)CCCCC1 97475084 UZHKCDCEAYCSPW-UHFFFAOYSA-N 265.357 1.164 0 50 CDAA Cc1ncc(C(=O)NC[C@]2(C)CCCC[C@H]2O)c(C)n1 180526018 NOTYEGLOMAIEDN-HIFRSBDPSA-N 277.368 1.764 0 50 CDAA CC[C@@H](NC(=O)c1ccc(F)c(O)c1)[C@H]1C[C@H](O)C1 244794710 QSARNQGSHKQDAI-CKYFFXLPSA-N 267.300 1.811 0 50 CDAA C[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)[C@H]1CN 299739583 QIBIWGANOSNCFI-YUELXQCFSA-N 275.396 1.662 0 50 CDAA COc1cccc2c1OCC(C(=O)NCCCC(=O)O)=C2 299753088 WUEFNVQUHUAXTD-UHFFFAOYSA-N 291.303 1.452 0 50 CDAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCNC1 299738456 BACNUXLKWWPVLG-OLZOCXBDSA-N 273.380 1.463 0 50 CDAA COC(=O)[C@H]1[C@H]2C[C@@H]3[C@@H](C(=O)OC)[C@@H]4C[C@H]1[C@@H]1[C@H]2[C@@H]3[C@@H]14 257358189 SCBCSFDSFNSKCV-DVOZRKJFSA-N 276.332 1.343 0 50 CDAA CN1CCCN(C[C@H]2CCCOC2)CC12CCNCC2 534666306 LXFWJZBRVOPZAI-OAHLLOKOSA-N 281.444 1.173 0 50 CDAA COC(=O)N1CCCC[C@@H]1C(=O)NCC1(CO)CCCC1 534637673 XDVYJTQFMOZHCW-GFCCVEGCSA-N 298.383 1.276 0 50 CDAA CC(C)[C@H](CNC(=O)Cc1ccc(CO)cc1)N(C)C 534637020 VIDFFRCJOZFWGD-HNNXBMFYSA-N 278.396 1.424 0 50 CDAA CCCn1ccnc1CNC(=O)N(C)Cc1ccon1 534581817 SKYQWKWSIGSCQF-UHFFFAOYSA-N 277.328 1.623 0 50 CDAA CCOCC1(CNC(=O)c2c(C)ncn2C)CCC1 534587359 OTRUDPHMNHIBBA-UHFFFAOYSA-N 265.357 1.665 0 50 CDAA O=C(CCc1ccncc1)NCC[C@@H]1CCCOC1 534661746 SPZOSGWNIVKZEY-AWEZNQCLSA-N 262.353 1.947 0 50 CDAA COc1cccc(-n2cc(CNC(=O)[C@@H]3C=CCN3)cn2)c1 534657557 DOBPCMOCYBNYFG-HNNXBMFYSA-N 298.346 1.025 0 50 CDAA Cc1noc([C@H]2CCN(C(=O)CCc3cccnc3)C2)n1 299779816 IPFRIDSIOJSOKV-ZDUSSCGKSA-N 286.335 1.722 0 50 CDAA Cc1nc(C[C@H](C)N2CCCCCC2)n(CCO)n1 828776945 MXVZYUVKMDWAKY-LBPRGKRZSA-N 266.389 1.386 0 50 CDAA COCCN1CC[C@@H](CNC2CSCCSC2)C1 824412471 WEWGTKZMKDEOKA-LBPRGKRZSA-N 290.498 1.393 0 50 CDAA O=C(NCC1CCN(Cc2ccoc2)CC1)[C@@H]1CCOC1 827778565 KHGRLIBEZYVKGO-OAHLLOKOSA-N 292.379 1.644 0 50 CDAA O=C(c1sccc1Cl)N1CCN2C(=O)OC[C@@H]2C1 495753188 LEBZNAXTEFSHET-ZETCQYMHSA-N 286.740 1.678 0 50 CDAA CC(C)c1nnc(N2C[C@@H](C(=O)O)CC2=O)s1 585122780 GFJSJSKIAPBTJH-LURJTMIESA-N 255.299 1.099 0 50 CDAA C[C@H](CCCC(C)(C)O)NC(=O)c1nccn1C 821820763 NJNDAYXQEFAWIQ-SNVBAGLBSA-N 253.346 1.480 0 50 CDAA CCOC(=O)N1CC[C@H](NCCn2ccnc2C)C1 584888074 XYBWXCHDSGRXRX-LBPRGKRZSA-N 266.345 1.012 0 50 CDAA CCCC[C@H](C(N)=O)n1cnc2ccncc2c1=O 584904001 TYSPIJBGYMWUAL-LLVKDONJSA-N 260.297 1.008 0 50 CDAA CO[C@@H]1CCOC[C@H]1n1cnc2c(C)c(C)ccc2c1=O 584886526 ZMJCDQHHELDFLR-ZIAGYGMSSA-N 288.347 1.990 0 50 CDAA Cc1cc(C)c(CNC(=O)N2CCCC[C@@H]2CO)cn1 584889256 BVYOAFPJNRRWSK-CQSZACIVSA-N 277.368 1.755 0 50 CDAA Cc1nn[nH]c1C(=O)N1CCC[C@@H](Cn2ccnc2C)C1 584901447 XKAMSLBKPXUMGS-LBPRGKRZSA-N 288.355 1.170 0 50 CDAA CCN1CCCN(C(=O)[C@]2(C)CC(C)=NO2)CC1 584887082 JRDYQTGYMPYUFU-ZDUSSCGKSA-N 253.346 1.096 0 50 CDAA CN1C[C@]2(CCN(CC3=CCCCC3)C2)OCC1=O 670428821 AYGLBVKZUOIAHR-HNNXBMFYSA-N 264.369 1.420 0 50 CDAA CCc1nc(CN(C)C[C@H]2Cc3ccccc3O2)n[nH]1 670460959 CUDMBTKCYJEBAW-GFCCVEGCSA-N 272.352 1.803 0 50 CDAA Cc1ccnc(N[C@@H](CO)[C@@H](O)c2ccc(Cl)cc2)n1 585132678 KWEIONVVFKOYIZ-STQMWFEESA-N 293.754 1.945 0 50 CDAA COc1cccc2c(=O)n(Cc3snnc3C)cnc12 584900413 WXHYFQGVTWHUDI-UHFFFAOYSA-N 288.332 1.613 0 50 CDAA CCc1nccn1CCC(=O)N[C@@H](C)c1nnc(N)s1 670452215 OIUCNYYZQFLVBO-QMMMGPOBSA-N 294.384 1.147 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cn1nc2ccccc2n1 670465632 YXWITIIUKGWDLI-VIFPVBQESA-N 298.350 1.649 0 50 CDAA CCC[C@@H](NC(=O)Cc1c[nH]c2cnccc12)c1nn[nH]n1 1343939194 NXGRJPKKRGWPKN-LLVKDONJSA-N 299.338 1.276 0 50 CDAA COCCc1noc(CN(C)C(=O)C[C@H]2CCCOC2)n1 952972961 WYOWJGBEQVKHPZ-LLVKDONJSA-N 297.355 1.034 0 50 CDAA Cc1cccc2nc(N3CCN(CC(N)=O)CC3)sc12 280112837 VXEPPCHDPSVFDP-UHFFFAOYSA-N 290.392 1.212 0 50 CDAA O=C1Nc2ccc(F)cc2C[C@@H]1C(=O)N[C@H]1CCSC1 1467754367 UBSDZLDWWVONOP-WDEREUQCSA-N 294.351 1.558 0 50 CDAA Cn1cc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(C(C)(C)C)n1 408189706 YERRSEIVCNALRB-GMXVVIOVSA-N 291.395 1.561 0 50 CDAA C[C@@H](c1ccccc1)N1CCN2CCS(=O)(=O)C[C@@H]2C1 408522510 AMDNEVVUHZEVKX-ZFWWWQNUSA-N 294.420 1.162 0 50 CDAA Cc1c(CS(C)(=O)=O)cccc1NCCC1OCCO1 170613210 KBMSIKRIHIUNER-UHFFFAOYSA-N 299.392 1.715 0 50 CDAA CCCCCOCC(=O)NC[C@H](CC)C(=O)OC 585089887 YMIYYSRMTXRFAW-NSHDSACASA-N 259.346 1.509 0 50 CDAA CCC(CC)C(=O)NCc1cn([C@@H](C)C(=O)C2CC2)nn1 585138867 NQOIINYBOGHIFC-JTQLQIEISA-N 292.383 1.871 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cnn2ccccc12 585128408 ANSYNJAMESQZFM-NWDGAFQWSA-N 289.335 1.857 0 50 CDAA COc1cc(CNC(=O)c2cc(C)sn2)on1 585131048 JSDRXXWMYJIMEY-UHFFFAOYSA-N 253.283 1.378 0 50 CDAA CCO[C@H](C)C(=O)N(CCc1nn[nH]n1)CC(CC)CC 736616291 NHJOGACYWVHWOZ-LLVKDONJSA-N 297.403 1.432 0 50 CDAA CCCC(O)(CCC)CC(=O)N1CCCNC(=O)[C@H]1C 188098790 BLRUKWWGWPGQQA-GFCCVEGCSA-N 284.400 1.445 0 50 CDAA CC1(C)CN(c2nnc(-c3ccccn3)s2)CCN1 643050242 ANXWHZOLOYMINI-UHFFFAOYSA-N 275.381 1.788 0 50 CDAA Cc1nnc(N2CC[C@@H](C(=O)NCc3ccccc3)C2)o1 645362802 SIQLOOIYCPOKLN-CYBMUJFWSA-N 286.335 1.521 0 50 CDAA CC(C)Oc1cc(C(=O)N2Cc3cncnc3C2)ccn1 576239970 NNICGTHNWHRGKD-UHFFFAOYSA-N 284.319 1.815 0 50 CDAA c1ccc2[nH]c(CN3CCN4CCC[C@@H]4C3)nc2c1 97632092 UXYBQSIVLQHLRD-GFCCVEGCSA-N 256.353 1.843 0 50 CDAA Cc1conc1C(=O)N1CC2(CCOCC2)CC[C@@H]1CO 1615549865 STVHMICKBUEXJP-GFCCVEGCSA-N 294.351 1.377 0 50 CDAA O=C(N[C@]12CCC[C@H]1NCC2)c1cc2cnccc2[nH]1 1650441556 RVWRTQQGPWAWBZ-HIFRSBDPSA-N 270.336 1.577 0 50 CDAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCc1ccncc1 101440906 KOGIDHMJCULLSY-RVMXOQNASA-N 274.320 1.445 0 50 CDAA Cc1csc(CN(C)c2cc(NCCO)ncn2)n1 1506414620 GUYUUPCYHGLQJM-UHFFFAOYSA-N 279.369 1.282 0 50 CDAA O=C(CCc1cccnc1)N1CCc2[nH]ncc2C1 215715065 PFEKLASKTGNYSI-UHFFFAOYSA-N 256.309 1.322 0 50 CDAA CC1(C)C[C@@H]1C(=O)N1CCOC2(CCNCC2)C1 1506402083 IJQLPDWXWRZGJL-LLVKDONJSA-N 252.358 1.014 0 50 CDAA CN(Cc1cncn1C)C[C@@H]1Cc2ccccc2O1 216505860 KAQZPVSHGMKJPX-AWEZNQCLSA-N 257.337 1.856 0 50 CDAA c1ccc(CN2CCCN(CCn3ccnc3)CC2)nc1 1506422317 NWPPPHBGVKGHJG-UHFFFAOYSA-N 285.395 1.486 0 50 CDAA Cc1nn[nH]c1C(=O)N(C)Cc1ccc2nsnc2c1 1506430817 YODSXGPWDZMXDL-UHFFFAOYSA-N 288.336 1.390 0 50 CDAA CSc1ncc(CN2C[C@H]3C[C@@H](O)C[C@H]3C2)cn1 1800409417 GGOMNHBLUPNLCW-ZSBIGDGJSA-N 265.382 1.401 0 50 CDAA COc1cc(C(=O)O)cc(-c2cccnc2N(C)C)n1 1875249368 YLZWLTIJOWRWPN-UHFFFAOYSA-N 273.292 1.916 0 50 CDAA OC[C@@]12CNC[C@H]1CN(CCCOc1ccc(F)cc1)C2 1772710804 WRMMOBREASERSA-BBRMVZONSA-N 294.370 1.108 0 50 CDAA C[C@H]1CN(CC(=O)Nc2nccs2)C[C@@H](C)O1 13320280 OQPPXXBSGIDLDA-DTORHVGOSA-N 255.343 1.191 0 50 CDAA CCOc1ccc(N2C(=O)C[C@@H](NC3CC3)C2=O)cc1 5565173 QPMKMEGMRHAONT-CYBMUJFWSA-N 274.320 1.469 0 50 CDAA CN1CCC(NC(=O)c2c(F)cccc2F)CC1 16580680 YSZZIMSUTUAKPW-UHFFFAOYSA-N 254.280 1.789 0 50 CDAA Nc1n/c(=N/C(=O)c2ccc(F)cc2)[nH]n1-c1ccccc1 18096622 FLGUNXUEIFFMEC-UHFFFAOYSA-N 297.293 1.663 0 50 CDAA NC(=O)CC[C@H]1CCCN(C(=O)Cc2cccnc2)C1 19792264 RQISFWPHIMLAFJ-GFCCVEGCSA-N 275.352 1.128 0 50 CDAA CSCC[C@H](CO)NC(=O)Cc1c(C)noc1C 154948828 JUQWLBWFBVJHGB-SNVBAGLBSA-N 272.370 1.064 0 50 CDAA Cn1nc(C2CC2)cc1CNC(=O)[C@H]1C[C@H]2C[C@@H](N)[C@H]2C1 1857528895 XUXBHUYFKXWUBI-AUZPSNTRSA-N 288.395 1.287 0 50 CDAA Cc1cc(C)c(OCCN2C(=O)C[C@H]3NCC[C@H]32)c(C)c1 1857692246 VWQXWLVSKWNSPO-HUUCEWRRSA-N 288.391 1.953 0 50 CDAA Cc1nc[nH]c1-c1nccn1-c1cnn(CCCC(N)=O)c1 1857705058 QPPYPZGARBFXMN-UHFFFAOYSA-N 299.338 1.033 0 50 CDAA O=C1NCCC[C@H]1n1ccnc1-c1cnc2ccccn12 1875245507 COZWLNKADWFUGE-LLVKDONJSA-N 281.319 1.649 0 50 CDAA CN(CCCc1nc2ccccc2[nH]1)C(=O)[C@@H]1CCNC1 423763071 QYUWNJMNMBSFHG-GFCCVEGCSA-N 286.379 1.563 0 50 CDAA 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0 50 CDAA Cc1ncsc1CCNC(=O)/C=C/c1cnc(N)nc1 952988382 NUHFTTBQBDWTAJ-NSCUHMNNSA-N 289.364 1.196 0 50 CDAA Cc1cc(C(=O)N2CCCN([C@H]3CCSC3)CC2)no1 1565522080 PWCPCJAGBJLANC-LBPRGKRZSA-N 295.408 1.636 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccns1 404434075 DBMVJDIJSKPBEK-SSDOTTSWSA-N 258.299 1.794 0 50 CDAA CCOc1cc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)ccc1OC 268918532 RAEYTQKUDKGYQR-MNOVXSKESA-N 293.319 1.431 0 50 CDAA O=c1c2c(ncn1C[C@H](O)c1ccccc1F)CCCC2 270516648 PVTFZNJBOBZMLK-HNNXBMFYSA-N 288.322 1.995 0 50 CDAA COCCc1nsc(N2CCC3(CC2)OCCO3)n1 170022116 WWKYLSOPLXDEQV-UHFFFAOYSA-N 285.369 1.070 0 50 CDAA O=C(NCCc1ccsc1)c1c[nH]nc1[C@H]1CCOC1 275332109 RHGBAXDQVACWOB-NSHDSACASA-N 291.376 1.948 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1Cc1cc(F)ccc1F 643765011 JYQHBOIGKOEEAJ-HNNXBMFYSA-N 298.333 1.692 0 50 CDAA NC(=O)NC(=O)CCN[C@@H]1CCSc2ccccc21 558652789 VJUOGTMEVHNIMO-SNVBAGLBSA-N 279.365 1.398 0 50 CDAA CO[C@@H]1CCC[C@H]1CN=c1[nH]c(=N)[nH]c2c1CCCC2 645204957 CXSPIVGCKRFHGB-GXFFZTMASA-N 276.384 1.417 0 50 CDAA COc1ncncc1CN1CCC[C@@H]1CN1CCCCC1 648003562 MZWSKLZJSCHJPZ-OAHLLOKOSA-N 290.411 1.936 0 50 CDAA COc1ccc2c(c1)OCC[C@H]2N=c1[nH]c(C(=O)O)co1 649390344 XXFZWKUULXQWFG-SNVBAGLBSA-N 290.275 1.739 0 50 CDAA Cn1cc(-c2cc(CSc3nnc(O)[nH]3)on2)cn1 194626216 FFQBADSQEGKORL-UHFFFAOYSA-N 278.297 1.191 0 50 CDAA Cc1nc(C)c(C(=O)NCCN2CCOC(C)(C)C2)s1 194901590 VEPIIWORLPUFEP-UHFFFAOYSA-N 297.424 1.601 0 50 CDAA Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCNC2)c(O)c1 653125693 UKNHLQXNINLITG-GFCCVEGCSA-N 260.337 1.667 0 50 CDAA Cc1cc(CCNC(=O)[C@]23C[C@H]2CCN3)cc(C)c1O 567659548 TUXVPGLPRKDZJO-CJNGLKHVSA-N 274.364 1.420 0 50 CDAA CCCn1nccc1C(=O)N[C@H]1CCc2nc(C)ncc2C1 666031193 JJPMQNQVROLBEL-ZDUSSCGKSA-N 299.378 1.679 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(Cc2cccc3cc[nH]c23)C1 671492976 PSQJLHFMZKHWIC-MRXNPFEDSA-N 297.362 1.396 0 50 CDAA O=C(c1cccc2nc(O)[nH]c12)N1CC[C@H](n2cccn2)C1 580903615 VTKFNYCDKZZFSX-JTQLQIEISA-N 297.318 1.552 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)Nc1c[nH]nc1Br 585130434 PVLWECGLFQAVAV-UHFFFAOYSA-N 298.144 1.693 0 50 CDAA C[C@@H](c1cnn(C)c1)c1nc(Cc2cnsn2)no1 585120265 CNHPJLZQEMMWQS-ZETCQYMHSA-N 276.325 1.397 0 50 CDAA O=C(/C=C/c1ccco1)NCc1nc(C(F)(F)F)n[nH]1 775906530 ACAZZLHTYNJBCJ-ONEGZZNKSA-N 286.213 1.746 0 50 CDAA O[C@H](CF)CN1CCC([C@@H](O)c2ccccc2)CC1 1875275323 WTBXKDIEJNMPLJ-CABCVRRESA-N 267.344 1.762 0 50 CDAA O[C@H]1CN(C2CCN(C3CCCC3)CC2)C[C@@H]1F 1615750858 SPLPPOBHEUHYTK-KBPBESRZSA-N 256.365 1.408 0 50 CDAA Cc1cccnc1CN(C)CC[C@@H]1COCCO1 1775983045 XHFFSJLJNILPNY-CYBMUJFWSA-N 250.342 1.627 0 50 CDAA O=C(Cn1c(=O)oc2ccccc21)N1CCCCC1 99507 BPMLWQYAKBSZTJ-UHFFFAOYSA-N 260.293 1.607 0 50 CDAA Cn1ccnc1SCCNC(=O)c1ncccc1O 214995067 GTSBMWXAEKXRQC-UHFFFAOYSA-N 278.337 1.043 0 50 CDAA CN(CCN(C)C1CCCC1)c1cc(NCCO)ncn1 1506400855 PJGRFBDXQNBXGJ-UHFFFAOYSA-N 293.415 1.191 0 50 CDAA c1ccc(N2CC[C@@H](N3[C@H]4CC[C@@H]3[C@@H]3CNC[C@@H]34)C2)cc1 1506411272 PIDUZWHHSWHDRW-SFFUCWETSA-N 283.419 1.948 0 50 CDAA CCN1C(=O)/C(=C/c2ccc(O)cc2)N(C)C1=S 474283 QKTLJPBZTLIGHH-FLIBITNWSA-N 262.334 1.812 0 50 CDAA O=C(CCN1CCCCCC1=O)N[C@@H]1C=CCC1 1857685235 FFHPFLBYTLDRNV-GFCCVEGCSA-N 250.342 1.614 0 50 CDAA CN(CC1(C)COC1)C(=O)CN1Cc2ccccc2C1 1857706605 NIMSRWRPQBMNRH-UHFFFAOYSA-N 274.364 1.497 0 50 CDAA CC(C)=CC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 215311481 DHULFQNEJHILEC-KGLIPLIRSA-N 294.395 1.175 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)CC[C@@H]1O 1704336008 SKMCNVVZDAOQSU-VHDGCEQUSA-N 295.354 1.660 0 50 CDAA Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C(=O)O)c1 262482612 WAJMSMANFLHLQB-ZETCQYMHSA-N 277.729 1.400 0 50 CDAA Cc1cccc(OC2CN(C[C@@H]3CCC(=O)N(C)C3)C2)c1 1775978452 NXQBRAKLBOITQU-CQSZACIVSA-N 288.391 1.926 0 50 CDAA Cc1nccn1CCCN1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772705224 LSKBAMRNQLWYKW-HIFRSBDPSA-N 293.367 1.005 0 50 CDAA CCOc1ccc(C(=O)N2CCN(C)CC2)cc1C 13582381 ONTYFWQYEFXPSV-UHFFFAOYSA-N 262.353 1.781 0 50 CDAA O=C(NCCN1C(=O)c2ccccc2C1=O)c1ccco1 13957007 BMKWYJZRMOGNOT-UHFFFAOYSA-N 284.271 1.306 0 50 CDAA C[C@H]1CN(Cc2nc(-c3cnccn3)no2)C[C@@H](C)O1 15961923 JSLNECWCURSEEM-AOOOYVTPSA-N 275.312 1.136 0 50 CDAA CCCCN1C[C@H](C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1=O 16527369 KSCKKBHKYKALFG-RWMBFGLXSA-N 282.384 1.271 0 50 CDAA Cc1cnnn1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1 16606477 QBGPCRKKTGKDKE-CQSZACIVSA-N 286.335 1.485 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1ccc(O)cc1)C2O 19321394 OXSPIAOLBFIIBH-UHFFFAOYSA-N 274.364 1.409 0 50 CDAA biogenic C[C@]1(N2CCOCC2)CC(=O)N(c2ccccc2)O1 19460896 RRFOYKJICZPJBQ-CQSZACIVSA-N 262.309 1.403 0 50 CDAA O=C1N[C@H]2C[C@@H]1N(C(=O)C1(c3ccccc3)CCCCC1)C2 1857677138 QJQOQELHWCWLRP-GJZGRUSLSA-N 298.386 1.988 0 50 CDAA CCCn1cc(-n2ccnc2-c2cnc(=NCC)[nH]c2)cn1 1857687007 MYEQPDAPESDKDY-UHFFFAOYSA-N 297.366 1.790 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)c1ncccc1O)C2 1857709795 RRUDQPBBQMGPHF-UHFFFAOYSA-N 255.277 1.647 0 50 CDAA O=C1C[C@H](c2ccc(-c3nnc4ccccn34)cc2)CN1 1875240848 HZZPYVCZSKUUJJ-ZDUSSCGKSA-N 278.315 2.000 0 50 CDAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1[C@H]1CC=CCC1 4833961 VSIMRWHTBRBEGT-AAEUAGOBSA-N 294.351 1.488 0 50 CDAA CC(=O)NCC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 131266775 NXHSJKFDRWWCSI-KGLIPLIRSA-N 276.336 1.159 0 50 CDAA COC[C@@H](N)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 262319340 QDJMGYITGZKQRO-AMIZOPFISA-N 284.306 1.384 0 50 CDAA COC(=O)CCNC(=O)c1sc2ncccc2c1N 585129725 TXGDIIVWCFSUQV-UHFFFAOYSA-N 279.321 1.171 0 50 CDAA CC1(c2ccccc2)CC(NC(=O)[C@H]2C[C@H]2C(=O)O)C1 263580226 VRLZTRFWDRXKPX-BWAOXVRWSA-N 273.332 1.944 0 50 CDAA Cn1c(N[C@H]2CCCCNC2=O)nc2ccc(F)cc21 814255793 ALBBXLUCXSZYBM-NSHDSACASA-N 276.315 1.793 0 50 CDAA O=C(O)[C@H]1CCN(Cc2c(F)cccc2F)C[C@H]1O 1704313155 FXGWNNUTBZKZEE-QPUJVOFHSA-N 271.263 1.232 0 50 CDAA COc1ccc(CN2CCN(C)CC2)cc1OC 19536702 GUAKUQMPNSSVAV-UHFFFAOYSA-N 250.342 1.451 0 50 CDAA O=C1NC[C@H](C2CC2)n2cc(Br)cc21 1857778788 BXOPGAFQXFGMAX-SECBINFHSA-N 255.115 1.945 0 50 CDAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1sccc1Cl 864095776 BHXBPOVUWMHOBU-ZCFIWIBFSA-N 297.785 1.885 0 50 CDAA Cc1ccc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)nn1 952889589 BXTQFRFUFVIGMN-ONGXEEELSA-N 260.301 1.093 0 50 CDAA N[C@@H](CC1CC1)C(=O)N1CCC(Cc2cc[nH]n2)CC1 1875315132 JICLRUXKRJUGOZ-AWEZNQCLSA-N 276.384 1.318 0 50 CDAA C[C@@H]1CN(c2ccc(OCC(F)(F)F)nn2)C[C@H]1CO 884632266 BQERMIOVSWAHRS-BDAKNGLRSA-N 291.273 1.482 0 50 CDAA C[C@@H](N)CONC(=O)c1ccc(Br)s1 888094363 LZQUVFQQZKCSPK-RXMQYKEDSA-N 279.159 1.519 0 50 CDAA CC1(C)NC(=O)CC[C@H]1NC[C@@H]1Cc2ccccc2CN1 1775962742 BHHVEVNWWZYZGQ-LSDHHAIUSA-N 287.407 1.348 0 50 CDAA Cc1nc(=NC(=O)C(C)(C)Nc2ccccc2)n(C)[nH]1 897844331 OILVJAYJOCSARE-UHFFFAOYSA-N 273.340 1.375 0 50 CDAA Cn1cc(CC2CN(C(=O)[C@@H]3Cc4ccccc43)C2)cn1 899012308 CZVMQCXAJZVQBD-MRXNPFEDSA-N 281.359 1.761 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](CN2CCCCC2)C1 237942423 CDHWWXDRFKCWHZ-RRFJBIMHSA-N 279.428 1.448 0 50 CDAA COc1cc(NC(=O)c2cc[nH]c(=O)c2)cc(OC)c1 152709079 YUCAXZBEIKXADW-UHFFFAOYSA-N 274.276 1.644 0 50 CDAA CN(Cc1nnc(-c2ccccc2)o1)S(C)(=O)=O 32497758 IMZDHJYHFJMFGU-UHFFFAOYSA-N 267.310 1.128 0 50 CDAA COc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1Cl 293208391 ZPBNXMHZFTXCQX-UHFFFAOYSA-N 296.754 1.699 0 50 CDAA O=C(O)C[C@H]1CCCN(C(=O)COCC(F)(F)F)CC1 299742858 IYMWVQYMGUCSGB-VIFPVBQESA-N 297.273 1.669 0 50 CDAA CC1(C)CCC[C@@]1(O)CNC(=O)[C@@H]1CCCOC1 334324468 KJYDGMFQFZLDDY-BXUZGUMPSA-N 255.358 1.470 0 50 CDAA CSc1ccccc1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 219880073 WZKVYFNWTNTPBV-RYUDHWBXSA-N 280.393 1.155 0 50 CDAA N=C(NCc1ccccn1)N1CCN(c2ccccn2)CC1 2325720307 LNUMEHKYHWWVIZ-UHFFFAOYSA-N 296.378 1.323 0 50 CDAA Cc1csc(C[C@@H]2CCN(C(=O)CCC(=O)O)C2)n1 2325763141 CEKKRQBIUUSVPM-JTQLQIEISA-N 282.365 1.707 0 50 CDAA CO[C@]1(C(F)(F)F)C[C@@H](NC(=O)NC2CCC2)C1 2325789048 ASKSZNUTZGSDRZ-CZMCAQCFSA-N 266.263 1.948 0 50 CDAA CC[C@H](C)Oc1cccc(NC(=O)[C@H]2CCCN2)n1 2325796020 MGAXYNAFWSJNNX-WDEREUQCSA-N 263.341 1.949 0 50 CDAA CCc1nc(CN2[C@@H](C(=O)O)CCC2(C)C)n[nH]1 2325798833 CJOGJZQWYAJVRI-MRVPVSSYSA-N 252.318 1.195 0 50 CDAA CNC(=O)C1CCN(Cc2nc3cc(F)ccc3o2)CC1 132577462 YDJTUQYHFQHGIJ-UHFFFAOYSA-N 291.326 1.925 0 50 CDAA CCOC(=O)N1CCN(C(=O)c2cccs2)CC1 29362 ARSWMQVJDOVPTA-UHFFFAOYSA-N 268.338 1.662 0 50 CDAA COc1ccc(OC)c(NC(=O)c2cnccn2)c1 35626 KGJRTMQGZLEMJX-UHFFFAOYSA-N 259.265 1.746 0 50 CDAA CC(=O)c1cccc(NC(=S)NN2CCOCC2)c1 611885 UQSPQYHVCQYUDD-UHFFFAOYSA-N 279.365 1.423 0 50 CDAA Cc1ccc(Cc2cncc(O)c2)cc1S(=O)(=O)O 2495713 SFGZPWOHNSNBLT-UHFFFAOYSA-N 279.317 1.933 0 50 CDAA Cc1ccc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4892281 GWSNXLDLNOSAOK-YBJDMEARSA-N 279.361 1.312 0 50 CDAA CC(C)OC[C@H](O)C[S@](=O)Cc1ccccc1 4948509 RGRKFEQYNLZNMK-GUYCJALGSA-N 256.367 1.721 0 50 CDAA COCCNC(=O)c1ccc(CN2CCCC2)cc1 10363546 PZQWEVUOOUKREW-UHFFFAOYSA-N 262.353 1.659 0 50 CDAA COC(=O)CCN1CCN(Cc2occc2C)[C@H](C)C1 225328601 ZBIFTAVLHKHXNV-CYBMUJFWSA-N 280.368 1.657 0 50 CDAA O=c1[nH]c(-c2ncccn2)nc2cc3c(cc12)OCO3 225663039 KGBOEMXYLCWMTB-UHFFFAOYSA-N 268.232 1.109 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@H]2CSCCS2)[C@H]1CN 247447908 YPTNKOUPVBBDQH-OUAUKWLOSA-N 274.455 1.421 0 50 CDAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100301349 RNCUXXBHUIJUFX-GVARAGBVSA-N 297.310 1.923 0 50 CDAA CCCN1CCN(CC(=O)N[C@@H](C)c2ccccc2)CC1 20595108 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0 50 CDAA O=C(c1nc2cccnc2s1)N1CC[C@@H](n2cccn2)C1 291928586 PAFSTNKOYZOQED-SNVBAGLBSA-N 299.359 1.975 0 50 CDAA Nc1cncc(-c2ccc(N3CCSCC3)nn2)c1 426405207 XGNQWWZJLPFORD-UHFFFAOYSA-N 273.365 1.674 0 50 CDAA CNc1nc(N2CC[C@@](O)(COC)C(C)(C)C2)ncc1F 91691672 TZTHCHYKZAQILJ-CQSZACIVSA-N 298.362 1.271 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1Cc1noc(C3CCCC3)n1)N2 95500055 YYKDPKKBOOTQNA-NEPJUHHUSA-N 290.367 1.580 0 50 CDAA Cc1ocnc1C(=O)NCCOc1ccc(C(=O)O)cc1 537479248 FMPLLUZVYOWOFV-UHFFFAOYSA-N 290.275 1.490 0 50 CDAA CC(=O)OC[C@H]1[C@@](C)(COC(C)=O)[C@H]2CC[C@@]1(C)O2 252427670 BGBMIIVTOSYOIQ-REWJHTLYSA-N 270.325 1.686 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](Cn3cncn3)C2)C1 299738835 HBKFEHZCYSWXLP-MELADBBJSA-N 291.399 1.034 0 50 CDAA CCOc1ccc(OCC)c(S(=O)(=O)n2cncn2)c1 261490502 AAFABNYNDSCFJO-UHFFFAOYSA-N 297.336 1.313 0 50 CDAA Cc1cc(C)c(CNC(=O)Cc2c(C)n[nH]c2C)cn1 456867903 WLXDOOZYDKXFAY-UHFFFAOYSA-N 272.352 1.897 0 50 CDAA Cc1cc(C(=O)N2CCCN(CC(C)C)CC2)cc(O)n1 364939253 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AHWJLZYBAUJJBU-CQSZACIVSA-N 298.427 1.156 0 50 CDAA CC(C)c1ncc(CN(C)Cc2nncn2C)cn1 583374934 PHUAKCUMSCPZJF-UHFFFAOYSA-N 260.345 1.361 0 50 CDAA O=C1CN([C@H]2CCSC2)CCN1C1CCCCC1 670443486 ZIJJRJVUMHCWRE-ZDUSSCGKSA-N 268.426 1.969 0 50 CDAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cnco1 1565507050 KSPTYGXKMZTNOU-AAEUAGOBSA-N 280.324 1.545 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)Cc1n[nH]c2ccccc12 1565507397 NAJHZUXWHABZGY-RYUDHWBXSA-N 298.346 1.042 0 50 CDAA COCCCN1CCC(CNC(=O)[C@@H]2CC23CC3)CC1 952982262 QYJJICNYLBNOGM-AWEZNQCLSA-N 280.412 1.651 0 50 CDAA CCOC(=O)c1cc(I)[nH]n1 66348301 PKGRSCADNBDVRY-UHFFFAOYSA-N 266.038 1.191 0 50 CDAA in-vitro c1cnc(-c2nc(CNC[C@@H]3CCOC3)cs2)cn1 952860014 SEQCNAAIQFZQFU-JTQLQIEISA-N 276.365 1.726 0 50 CDAA Cc1ccc(-c2cc(C(=O)N3CC(C(=O)O)C3)n[nH]2)o1 952977798 JNGOSPICASYPOW-UHFFFAOYSA-N 275.264 1.135 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)CCc2cscn2)C1 268940031 DVSMGTWKRLEHBF-GFCCVEGCSA-N 268.338 1.399 0 50 CDAA O=C(N[C@@H]1CCOC[C@@H]1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 629246230 SPCOHVYYAUKZDP-KHMAMNHCSA-N 281.396 1.859 0 50 CDAA COC(=O)C1(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CCC(C)CC1 408091888 XTJYVAJJICEZOO-VECWZWDRSA-N 295.379 1.792 0 50 CDAA C/C=C(\C)C(=O)O[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 222007665 SJAYHIRBFZOKFR-MJMLHWTPSA-N 260.355 1.852 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3ncccc23)C1 165502059 AZIVLCQRNPMLPA-SNVBAGLBSA-N 287.319 1.429 0 50 CDAA CO[C@@H](CN1CC[C@](OC)(C(=O)O)C1)c1ccc(F)cc1 629369877 AHEKZIRJULIALA-DZGCQCFKSA-N 297.326 1.689 0 50 CDAA Cc1cncc(N2CCN(Cc3ccc(O)cc3)CC2)n1 630095390 DSYRETGIHVEOAJ-UHFFFAOYSA-N 284.363 1.813 0 50 CDAA COC(=O)C1(c2ncc(Br)cn2)CC1 95803886 HZNFYESIZQQWCI-UHFFFAOYSA-N 257.087 1.444 0 50 CDAA in-vitro CO[C@@H]1C[C@@H](c2nnc3cnccn23)N(CC=C(C)C)C1 583618017 UWBOQHVPEONCGY-OLZOCXBDSA-N 287.367 1.852 0 50 CDAA CCOC(=O)c1cnn(CCc2scnc2C)n1 585118335 KSPUJPYCIANCFN-UHFFFAOYSA-N 266.326 1.462 0 50 CDAA COc1cccnc1N(C)C(=O)c1cn(C(C)(C)C)nn1 191932947 DGFJOZUYUIQSKV-UHFFFAOYSA-N 289.339 1.713 0 50 CDAA Cc1noc2ncnc(NC[C@@H](C)N3CCOCC3)c12 193387285 MEVJOXCQWIYHHG-SECBINFHSA-N 277.328 1.059 0 50 CDAA Cn1nnc(CN2CC[C@H](Oc3ccccc3Cl)C2)n1 193471639 XIUYRTFFHDNGLA-JTQLQIEISA-N 293.758 1.517 0 50 CDAA COc1ccc(C[C@@H](C)C(=O)Nc2cn(C)nn2)cc1 573502139 ZWGDRYGFCODQAM-SNVBAGLBSA-N 274.324 1.641 0 50 CDAA O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@](O)(CO)C1 72150132 OIAWJXMXVRDMBA-ZDUSSCGKSA-N 285.727 1.005 0 50 CDAA COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cn1 192866791 ZKVXSDVOKKMJKD-UHFFFAOYSA-N 292.360 1.911 0 50 CDAA C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1C(=O)[C@@H]1CCCO1 1614994305 DYNLWTFNXCNGCO-RCWTZXSCSA-N 255.314 1.266 0 50 CDAA O=C(NCC1CCC(F)CC1)[C@]12CNC[C@H]1CCOC2 1615551234 BATOXQRXIHURGL-CTBQFLBTSA-N 284.375 1.257 0 50 CDAA NC(=O)c1ccc(C(=O)N2CCCC[C@@]23CCOC3)s1 1615613841 AFHXFXQROQZHCA-AWEZNQCLSA-N 294.376 1.632 0 50 CDAA CC1=NO[C@@](C)(C(=O)Nc2nnc(CCN(C)C)s2)C1 1506413801 VXGUHHUPFAGJMX-GFCCVEGCSA-N 297.384 1.136 0 50 CDAA CN(CC[C@H]1CCCCO1)c1ccc(C(N)=O)cn1 1506399294 LTHDBSHDXBXQNT-GFCCVEGCSA-N 263.341 1.576 0 50 CDAA CCNC(=O)[C@H]1CCN(c2ccc(C(C)=O)cn2)C1 1529186426 YSRQJJLIGOGJCB-LBPRGKRZSA-N 261.325 1.247 0 50 CDAA COc1ccc(F)cc1[C@@H](C(=O)O)N(C)CC1(C)COC1 1529104020 KCWNJTIUELEAPK-ZDUSSCGKSA-N 297.326 1.928 0 50 CDAA N=c1[nH]cc(C(=O)N[C@H]2CCCCCC[C@@H]2O)s1 1857721385 MHUKUWKKGVESTH-IUCAKERBSA-N 269.370 1.369 0 50 CDAA CC(C)(C)CC(=O)N[C@H](C(=O)O)c1cscn1 1875311047 LFEMEAZZQBIUNI-VIFPVBQESA-N 256.327 1.821 0 50 CDAA COc1cn(C)nc1[C@@H](C)Nc1ncnc2onc(C)c12 1559288346 YWBPNELQLPEDCS-MRVPVSSYSA-N 288.311 1.841 0 50 CDAA Cc1nc(C)c(C(=O)NC[C@H]2Cc3nnc(C)n3C2)s1 1772710404 QORKKXLKHIBNDE-SNVBAGLBSA-N 291.380 1.262 0 50 CDAA Cc1nc(N)nc(N2C[C@H]3CCCN3C(=O)[C@@H]2C)c1Cl 1772701906 CEJSTNYBEQVOHR-DTWKUNHWSA-N 295.774 1.220 0 50 CDAA C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(N)=O)CC1 12380350 LHTYRZVHROMAOV-SNVBAGLBSA-N 294.326 1.317 0 50 CDAA COCCCNC(=O)c1ccc(N2CCOCC2)cc1 14401766 ZGYGWBAXMGWUIJ-UHFFFAOYSA-N 278.352 1.290 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1cc(Cl)nc(Cl)c1 169980284 OAIPPMAIVLYALK-UHFFFAOYSA-N 291.971 1.642 0 50 CDAA O=C1CC2(CCN(Cc3ccsc3)CC2)OCCN1 1857703594 OEQPZLJSJCPEOP-UHFFFAOYSA-N 280.393 1.619 0 50 CDAA Cc1ccc2ncnc(N[C@@H]3C[C@H]4CO[C@H](C)CN4C3)c2n1 1857739139 KKBUIWMESRDSAA-UPJWGTAASA-N 299.378 1.607 0 50 CDAA O=C(OCc1ccccc1)N1CCN(C2COC2)CC1 114762948 VJDWVTGQLRWGKY-UHFFFAOYSA-N 276.336 1.340 0 50 CDAA in-vitro CCN(C(=O)c1cnc2ccccc2c1C)[C@@H]1CCNC1=O 334750405 XAWQAMAZQRXTLD-OAHLLOKOSA-N 297.358 1.894 0 50 CDAA CC1(C)CCN(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)C1 654638656 GSEUAEQJVYQEPX-JTQLQIEISA-N 293.371 1.598 0 50 CDAA CC(C)[C@H]1OCC[C@H]1C(=O)NC1(CC(=O)O)CCOCC1 663123457 MXOKQPPUXGOGRP-DGCLKSJQSA-N 299.367 1.188 0 50 CDAA COC[C@@]1(C(=O)O)CCCN(C(=O)CC2(OC)CCC2)C1 262829542 FSNXTMFBOPIIAD-CQSZACIVSA-N 299.367 1.285 0 50 CDAA C[C@@H](C(=O)O)N1CCO[C@H](CCc2ccccc2)C1 263565673 FSESOXPKCPDCFH-GXTWGEPZSA-N 263.337 1.793 0 50 CDAA C[C@H](NC(N)=O)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 266968984 WFPOIQIBKHYLMT-SCRDCRAPSA-N 289.379 1.523 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc(Cl)c1F)C2 1704336174 UVPOAHJQQSAQHP-MNOVXSKESA-N 298.745 1.426 0 50 CDAA C=CC(=O)N[C@@H](C1CCOCC1)C1(CO)CCC1 820436931 SCNJFLOHSSUMIS-ZDUSSCGKSA-N 253.342 1.246 0 50 CDAA COc1ccc(C(=O)CSc2nccc(=O)[nH]2)cc1 18066021 QNNAXIFUOIRDHX-UHFFFAOYSA-N 276.317 1.754 0 50 CDAA CCCCc1nc(C2=NO[C@@H](C(=O)O)C2)c(Cl)[nH]1 1857533495 GEVWUPODVWOECA-SSDOTTSWSA-N 271.704 1.983 0 50 CDAA C=CC(=O)N(C)CC(=O)NC[C@H](C)c1cccc(C)c1 859547464 IZKCGMQYDCCECM-ZDUSSCGKSA-N 274.364 1.859 0 50 CDAA O=C1CC[C@@H](NCc2cnc(C3CC3)o2)C2(CCC2)N1 952994794 RJOJWVWPJWSPNR-GFCCVEGCSA-N 275.352 1.843 0 50 CDAA O=C1CCN(CC2CC2)C(=O)[C@@H](CCc2ccccc2)N1 1875290166 BYQDEZUZLQOLHT-OAHLLOKOSA-N 286.375 1.746 0 50 CDAA Cc1[nH]nc2ncc(C(=O)N3C[C@H]4CC[C@H]4C3)cc12 1875271814 DDKNMQZALWQQET-AOOOYVTPSA-N 256.309 1.748 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCc2cc(O)c(C)cc2C1 1875369842 LXZZFVQAFWBUDU-UHFFFAOYSA-N 288.347 1.230 0 50 CDAA C=CC(=O)N1CCC(C(=O)NCCCC(C)(C)O)CC1 1875367739 JCTYHVFBEKOBFU-UHFFFAOYSA-N 282.384 1.078 0 50 CDAA COc1cc(C(=O)N[C@H](C)c2nc(O)n[nH]2)ccc1F 1875354614 YJHYCPZNMFQHPC-ZCFIWIBFSA-N 280.259 1.149 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCN[C@H]3C2(C)C)cc1 1875306667 BQFHVFQYNPKJDB-MGPQQGTHSA-N 294.420 1.660 0 50 CDAA C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(n2)CCC3)C1 1875371499 CZEIOPYFLGZUAH-ZDUSSCGKSA-N 299.374 1.933 0 50 CDAA O=C(c1cnsn1)N1CCOc2ccccc2[C@@H]1CO 887109201 GYYBNWXUUXHZHJ-NSHDSACASA-N 291.332 1.106 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2coc(C)c2)C1 888077522 GMFKWGLJBBMFJL-VXGBXAGGSA-N 275.308 1.913 0 50 CDAA Cn1cnc(CNC(=O)[C@@H]2CCN(c3ccccc3)C2)c1 890107100 IICOWRJMFRBTKH-CYBMUJFWSA-N 284.363 1.563 0 50 CDAA Cc1ncoc1CNC(=O)c1ncn(C(C)(C)C)n1 1180040172 FDZTWJMAQYEWCS-UHFFFAOYSA-N 263.301 1.260 0 50 CDAA Cn1nncc1CNC(=O)N[C@@H]1CCCc2ccccc2C1 894877162 XDDJHCAIHBAYTJ-CQSZACIVSA-N 299.378 1.562 0 50 CDAA FC(F)(F)c1ccc(N2CCO[C@@H](c3nc[nH]n3)C2)nc1 1775992046 WWOPLHMBGWILFO-SECBINFHSA-N 299.256 1.796 0 50 CDAA Fc1c(F)c(F)c(-[n+]2cn3c(n2)CCC3)c(F)c1F 38307484 VASMYZBMPCWVBE-UHFFFAOYSA-N 276.188 1.802 0 50 CDAA in-vitro Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2CN)cc1 237442624 FWQJXVGYWZRXBU-OLZOCXBDSA-N 262.353 1.712 0 50 CDAA CCCc1nnc(NC[C@@H]2CN(C)CCO2)s1 152338508 LZPZBKBWBMCQTO-SECBINFHSA-N 256.375 1.233 0 50 CDAA O=C(NCC1(CO)CCC1)[C@@H]1OCCc2ccccc21 183263541 GCZRDGJROXPDDV-CQSZACIVSA-N 275.348 1.579 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(F)cc2Cl)C1 311827981 OQGNCQCBPQIFAQ-UWVGGRQHSA-N 287.718 1.701 0 50 CDAA CC(C)(F)CNS(=O)(=O)c1ccc(CC(=O)O)cc1 634653799 KOUICFURDDNLAW-UHFFFAOYSA-N 289.328 1.340 0 50 CDAA Cc1nc(C(=O)NC[C@@]2(O)CCCC2(C)C)co1 647223686 CYFQADAUOBKMEJ-ZDUSSCGKSA-N 252.314 1.654 0 50 CDAA CC(C)c1cccc(C(=O)NCC[C@@H](O)CO)c1 584900779 INSCBYSKXMBOTM-CYBMUJFWSA-N 251.326 1.283 0 50 CDAA CCn1nc(C)c(C(=O)N[C@H]2CC[C@H](N)C2)c1C 213071136 IXMSVYHZXVVNOK-QWRGUYRKSA-N 250.346 1.129 0 50 CDAA O=C(C1=C2CCN=C2NC=C1)N1CCCC[C@@H]1c1ncc[nH]1 2325768440 BVUFCYPWYLBETG-CYBMUJFWSA-N 297.362 1.679 0 50 CDAA O=C(NC[C@H]1CCCCNC1)c1n[nH]cc1-c1ccncc1 2325796592 ZXLNDRSEQATYDS-LBPRGKRZSA-N 299.378 1.591 0 50 CDAA CC1(C)[C@@H](NC(=O)c2ccn3c2CCCC3)C[C@H]1CN 2325800003 FHCXSQPCWUHCDL-FZMZJTMJSA-N 275.396 1.928 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 68724 TVEBRNUNWHDRLC-UHFFFAOYSA-N 282.365 1.820 0 50 CDAA CNC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(F)cccc1Cl 306811 HYPOMXVOVZAHCP-NSHDSACASA-N 297.717 1.853 0 50 CDAA Oc1c(F)cc(-c2nc(N3CCOCC3)n[nH]2)cc1F 2356144962 UHYDVXVKNCXOKS-UHFFFAOYSA-N 282.250 1.292 0 50 CDAA Cc1cccc(OCCOCCN(C)CCO)c1C 2975081 CSSLCSYGKRPMNM-UHFFFAOYSA-N 267.369 1.623 0 50 CDAA C[C@@H](Sc1nnc(N)s1)C(=O)Nc1nccs1 4841107 PBDNUYZJJDBHFC-SCSAIBSYSA-N 287.395 1.696 0 50 CDAA CC1(NC(=O)CSc2nnc(N)s2)CCC1 55175149 GEVMJHCQJNJJEU-UHFFFAOYSA-N 258.372 1.271 0 50 CDAA CCN1CCN(C[C@H](O)COc2ccccc2OC)CC1 20819732 LTVGEDJHAVOKEW-AWEZNQCLSA-N 294.395 1.072 0 50 CDAA C[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)CCS1 247401167 BGRXJMQXZJVTPJ-BDAKNGLRSA-N 282.331 1.587 0 50 CDAA COC(=O)C(=O)CC(=O)c1ccc(SC)cc1 100684805 DYLAIVKRVREVCV-UHFFFAOYSA-N 252.291 1.723 0 50 CDAA Cc1ccc(OC[C@H](O)CN2C[C@H](C)OC[C@H]2C)cc1 248003759 FFBIRCAWBLTSQF-QLFBSQMISA-N 279.380 1.844 0 50 CDAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1cccnc1 20599708 PMSGXFTTZTVKCX-LBPRGKRZSA-N 287.363 1.603 0 50 CDAA CCC1=NO[C@@H](CNCc2nc(-c3ccco3)no2)C1 65421947 DOACXGOGFTWEHU-SNVBAGLBSA-N 276.296 1.974 0 50 CDAA N=C(N)SCCOC(=O)NCc1ccccc1 23549854 NELQYEMEUVDCJF-UHFFFAOYSA-N 253.327 1.539 0 50 CDAA C[C@H]1C[C@@H](CN)CN1Cc1cnc(N2CCOCC2)s1 346680385 NKYJHOAKIXKYBB-RYUDHWBXSA-N 296.440 1.149 0 50 CDAA C[C@H](OCC(F)(F)F)C(=O)N1CCCC[C@@H]1C(=O)O 136463227 TVVSLNOKHILLRN-JGVFFNPUSA-N 283.246 1.420 0 50 CDAA C[C@@]1(C(=O)N2CC[C@H](n3cccn3)C2)CCCN=C1O 329636732 VIRCBZGLVCMWKW-SMDDNHRTSA-N 276.340 1.413 0 50 CDAA COCCOc1cccc(C(=O)N2C[C@@H](O)CC[C@@H]2C)c1 421999108 BCDBIVQPXILQCE-JSGCOSHPSA-N 293.363 1.697 0 50 CDAA CC(C)(C)OC(=O)N1CCC(/C=C/C(N)=O)CC1 309595821 ZGZJCNCCRZDXMX-SNAWJCMRSA-N 254.330 1.675 0 50 CDAA NC(=O)c1noc([C@@H]2CCCN2C2CCCC2)n1 328641136 QJOJZSCHVWUVOU-VIFPVBQESA-N 250.302 1.248 0 50 CDAA CCOC(=O)N1CCC(NCCSc2ncn[nH]2)CC1 65420328 NKACWMQISXIKJO-UHFFFAOYSA-N 299.400 1.107 0 50 CDAA CN1CCC[C@H](CNC(=O)CCOc2ccccc2)C1 67771160 JLBIEBJTKJKYST-CQSZACIVSA-N 276.380 1.914 0 50 CDAA CCCCO[C@@H](C)C(=O)N1CCO[C@H](c2nnc(C)o2)C1 328610271 HEOKHWNBDRZXAB-JQWIXIFHSA-N 297.355 1.483 0 50 CDAA Nc1nnc(Cc2nc(CCc3ccccc3)n[nH]2)s1 65406593 ZGBLZWIGVRGEIG-UHFFFAOYSA-N 286.364 1.614 0 50 CDAA CC(=O)SCCC(=O)N1[C@H](C(=O)O)CSC1(C)C 39331944 JDWIZPVZEYYNJR-QMMMGPOBSA-N 291.394 1.421 0 50 CDAA CCOc1ccc2nc(S(N)(=O)=O)sc2c1 56721 OUZWUKMCLIBBOG-UHFFFAOYSA-N 258.324 1.342 0 50 CDAA biogenic,world Cc1ccc2nc(N3C(=O)CNC3=S)sc2c1 473443 LPWUFYBASCWVCI-UHFFFAOYSA-N 263.347 1.826 0 50 CDAA Cc1nc(-n2cccc2)sc1C(=O)NCCC(=O)O 36357304 HSKMMCVYEUMDSZ-UHFFFAOYSA-N 279.321 1.447 0 50 CDAA C[C@H]1CCN(c2noc(-c3ccccc3)n2)C[C@H]1O 253369490 DCQOCNKAEUIDRP-CMPLNLGQSA-N 259.309 1.944 0 50 CDAA C[C@H]1CN(C(=O)Cc2ccc3c(c2)OCCO3)C[C@H](C)N1 154025601 HMMYDUGONDLCJZ-RYUDHWBXSA-N 290.363 1.209 0 50 CDAA CNC(=O)C(C)(C)CNC(=O)Nc1ccc(F)cn1 122494474 WNAVVHZZKFZMFZ-UHFFFAOYSA-N 268.292 1.114 0 50 CDAA CN(CCN(C)C1CC1)C(=O)c1conc1C(F)(F)F 328592851 MHOUDNYSTKSDRX-UHFFFAOYSA-N 291.273 1.860 0 50 CDAA C/C=C/CN1CCCn2nc(CCC(=O)O)cc2C1 72422308 JGXKLFZFLDCLHS-NSCUHMNNSA-N 263.341 1.682 0 50 CDAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 215231763 XZORZWRSMRGROD-LLVKDONJSA-N 284.319 1.540 0 50 CDAA c1nc(CN=c2[nH]nc([C@H]3CCCO3)o2)cs1 331390129 JNAHEIAVJSRXAU-MRVPVSSYSA-N 252.299 1.412 0 50 CDAA COc1ncccc1N(C)C(=O)c1cc(C2CC2)n(C)n1 331432448 CJNWFQRQPXNNRI-UHFFFAOYSA-N 286.335 1.978 0 50 CDAA OC1(CN2CCCC2)CCN(Cc2cccnc2)CC1 216014804 ZRJRZXJPHHIYES-UHFFFAOYSA-N 275.396 1.504 0 50 CDAA COc1cc(F)c(CNC[C@@H]2COCCO2)cc1OC 32603546 MRHMGMGPWPTJCE-LLVKDONJSA-N 285.315 1.348 0 50 CDAA Cc1cc(N2CCC[C@H](O)CC2)n2nc(C)cc2n1 72456941 MTVOUPGYBKQTKE-LBPRGKRZSA-N 260.341 1.697 0 50 CDAA 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266.293 1.415 0 50 CDAA O=C(NCc1ccc(C(F)(F)F)cc1F)N1CC(O)C1 426651992 MQERXTZUMADZKR-UHFFFAOYSA-N 292.232 1.731 0 50 CDAA CC(=O)NC[C@H]1CN(CCCc2cnccc2C)CCO1 290175895 YTAIPFIJXBJVDI-INIZCTEOSA-N 291.395 1.160 0 50 CDAA O=C1C[C@@H](C(=O)NCc2ccc(-n3ccnc3)cc2)CCN1 178042293 SBHUUJRVJROLDJ-ZDUSSCGKSA-N 298.346 1.015 0 50 CDAA Cc1cc(F)cc(C)c1C(=O)NC[C@@H]1CCCS1(=O)=O 612524393 VQUXSZLDKHWNBX-LBPRGKRZSA-N 299.367 1.750 0 50 CDAA CN1CCC(OCCCNC(=O)c2ccncc2)CC1 222482246 ZFYKCSHGPCPQGJ-UHFFFAOYSA-N 277.368 1.312 0 50 CDAA CC(C)(CO)NC(=O)c1cccc(-c2cnc(N)cn2)c1 426555354 BLFOQAMMYPSEQE-UHFFFAOYSA-N 286.335 1.227 0 50 CDAA Cc1nc(Cc2nc([C@H]3CCOC3)no2)cs1 96140963 QZNYZXXPQPWRJU-QMMMGPOBSA-N 251.311 1.929 0 50 CDAA CN(C(=O)c1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCNC1 179119402 FDFTVAZIQZMEIS-GFCCVEGCSA-N 288.326 1.650 0 50 CDAA CN(C)CCN(C)c1ncnc2c1Cc1ccccc1OC2 96150793 XUOXGTJULSEVKB-UHFFFAOYSA-N 298.390 1.958 0 50 CDAA CN(Cc1nccs1)[C@@H](C(=O)O)c1ccoc1 95523284 NCRVEZCRIKNOJO-SNVBAGLBSA-N 252.295 1.994 0 50 CDAA CC1(C)CN(Cc2nnc(C3CC3)o2)CC[C@]1(C)O 91603427 JFTODZSPFDJNQO-AWEZNQCLSA-N 265.357 1.930 0 50 CDAA Cc1nc(C)n(CCNc2nc3c(s2)c(C)nn3C)n1 96166069 LZSPPFJZSRFDQG-UHFFFAOYSA-N 291.384 1.659 0 50 CDAA NCc1nc(C(=O)Nn2cnc3ccccc32)cs1 238058465 WLWRRRVXOYHGRN-UHFFFAOYSA-N 273.321 1.335 0 50 CDAA C[C@@H](NC(=O)c1ccc2c(c1)CCCC2=O)c1nncn1C 293117064 OXPUOGDYUOVEES-SNVBAGLBSA-N 298.346 1.825 0 50 CDAA CCOC(=O)CCn1cnc2cc(F)c(F)cc2c1=O 179871168 SNZIEUPUGYKYHM-UHFFFAOYSA-N 282.246 1.628 0 50 CDAA CC1(C)C[C@H](C(=O)NCCc2c[nH]cn2)CCO1 97635000 KOQYFFSCYBFTGT-SNVBAGLBSA-N 251.330 1.274 0 50 CDAA Cc1nn(C)c2nc(NCCSc3cnn[nH]3)sc12 95507774 PHYJCRGOHPDWOQ-UHFFFAOYSA-N 295.397 1.661 0 50 CDAA CC1(C)CNC(=O)c2nc(CCc3cccnc3)[nH]c2C1 95360343 VPDLJQOCDRWCTJ-UHFFFAOYSA-N 284.363 1.902 0 50 CDAA CCc1nc(CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)no1 245289931 GCSLMGCGKMZQEL-OASPWFOLSA-N 265.357 1.877 0 50 CDAA O=C(O)C[C@@H]1CN(Cc2ccsc2)C[C@@H]1c1cnn[nH]1 1076090568 VCXGCKNXWTWEKG-MNOVXSKESA-N 292.364 1.557 0 50 CDAA CC(CO)(CO)NC(=O)c1cccc(OC2CCCC2)c1 183504790 XSRAUFMZMLXPFJ-UHFFFAOYSA-N 293.363 1.481 0 50 CDAA CCN(CC)CC1(NC(=O)CCc2cn[nH]c2)CC1 534673590 HFQBZVNUEDLVAN-UHFFFAOYSA-N 264.373 1.333 0 50 CDAA Cn1cccc1CCC(=O)N[C@H](C(=O)O)c1ccccc1 534647351 JUCYWZBKWKJTLK-HNNXBMFYSA-N 286.331 1.900 0 50 CDAA COc1ccc(N2C(=O)CNCC23CCCC3)cc1 85344191 JYAHGPRYBCHRIX-UHFFFAOYSA-N 260.337 1.944 0 50 CDAA C[C@H](CN1CCc2ccccc2C1)NCCn1ccnn1 534638684 ICYUVQLWTMLUPW-CQSZACIVSA-N 285.395 1.315 0 50 CDAA COC(=O)[C@@]12CCOC[C@@H]1CN(C[C@@H]1CCC=CO1)C2 373485428 NSIQDNNPLNRRRF-KCQAQPDRSA-N 281.352 1.191 0 50 CDAA COc1ccc(NC(=O)N[C@H]2COC[C@@H]2OC)cc1OC 289473880 JHRGMUOKZCGEEK-GWCFXTLKSA-N 296.323 1.239 0 50 CDAA C[C@@H](Cc1cnccn1)N(C)C(=O)CCCC(=O)O 299800392 XFLPZEGOUVGWIZ-JTQLQIEISA-N 265.313 1.121 0 50 CDAA COc1ccc(C(C)(C)C)cc1NC(=O)NC[C@H](O)CO 299802303 YSGSYDDFRJOBFB-NSHDSACASA-N 296.367 1.467 0 50 CDAA CC[C@H](O)CN1C(=O)CC[C@@H]1CCNCc1ccccc1 299768946 HBXPXHXRUPXXLV-CVEARBPZSA-N 290.407 1.928 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)Cn1ncc2ccccc21 584894797 WJJNLLDJQSAXCM-AWEZNQCLSA-N 297.362 1.828 0 50 CDAA CC1=NO[C@H](COC(=O)CN2CCCCCCC2=O)C1 585135774 AXDAEKOILQCDBJ-LBPRGKRZSA-N 282.340 1.487 0 50 CDAA CCCc1nc(N2CCC3(CCN(C)C3)CC2)no1 670455468 OZBIIYLDQVCQCA-UHFFFAOYSA-N 264.373 1.944 0 50 CDAA CNC(=O)C[C@H]1CCN(C2CSCCSC2)C1 670457267 VHGQVMISAKCSHZ-SNVBAGLBSA-N 274.455 1.293 0 50 CDAA COCCn1cncc1CNC(=O)c1cc(C(C)C)no1 670453148 AFDODQWHDPUIPH-UHFFFAOYSA-N 292.339 1.571 0 50 CDAA C[C@H]1CNCC[C@H]1c1ccc(NS(C)(=O)=O)cc1 757207499 BJGHMSCCGWMMEG-GXFFZTMASA-N 268.382 1.771 0 50 CDAA CCOC1(C(=O)N[C@@H]2CCn3ccnc32)CCCC1 1544082455 UFPWRZHHVFCJJA-LLVKDONJSA-N 263.341 1.793 0 50 CDAA O=C(NC[C@H]1CCCN(c2cnsn2)C1)c1ccoc1 952874143 XISAKZJAZVFELU-SNVBAGLBSA-N 292.364 1.778 0 50 CDAA Cc1ncncc1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 1549135498 HYDKGOJWIPIXDY-TZMCWYRMSA-N 297.314 1.828 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(O)nc2)C[C@]1(O)C1CCC1 1565528099 LCFPENXPSZXFAA-ZUZCIYMTSA-N 276.336 1.410 0 50 CDAA CO[C@H](C)C(=O)Nc1cc(C)ccc1NC(=O)CN(C)C 952962742 CPQHUERDNPODDT-LLVKDONJSA-N 293.367 1.469 0 50 CDAA COc1cnc(NC(=O)N2CCC[C@@](C)(O)CC2)s1 408143468 WCYWSMKYTRFMNI-GFCCVEGCSA-N 285.369 1.921 0 50 CDAA CC[C@H](OC)C(=O)N1CCOc2ncc(C)cc21 270617708 GICVQPJVYSUHCG-NSHDSACASA-N 250.298 1.540 0 50 CDAA COCCC(=O)N1CCO[C@H](C)[C@H]1c1nc(C2CC2)no1 514804022 WNZIGBQQJFSLTC-SKDRFNHKSA-N 295.339 1.272 0 50 CDAA N#Cc1ccc(-c2cnc(Cn3ccnn3)o2)cc1 170084334 AASIENZBQABQHY-UHFFFAOYSA-N 251.249 1.853 0 50 CDAA O=C1N[C@@H](c2ccccc2F)C(=O)N1CC(F)(F)F 170091256 CXDDCADLJDOGSI-QMMMGPOBSA-N 276.189 1.981 0 50 CDAA COc1ccc2c(c1)OC[C@H](N[C@H]1CC[C@@H](CO)C1)C2 515992354 FXCOTIKPOMDKHF-KWCYVHTRSA-N 277.364 1.749 0 50 CDAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1 90471010 AULIHHKCGONFAV-SECBINFHSA-N 275.370 1.902 0 50 CDAA in-vitro Cc1cnc(COC(=O)c2cc(C3CC3)[nH]c(=O)c2)o1 170598060 XCKMQNJAHLDECO-UHFFFAOYSA-N 274.276 1.906 0 50 CDAA CN1CC[C@H](COC(=O)c2ccn3cncc3c2)C1 170610746 NIPKBAPEWLFVTJ-NSHDSACASA-N 259.309 1.443 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2cnn(C(F)F)c2)C1 630098662 TZJKHRVXHXQKIV-ZETCQYMHSA-N 273.239 1.215 0 50 CDAA C[C@@H]1C(=O)N([C@H]2CCCn3nccc32)C(=O)N1C1CC1 630996675 DUPIKIOJIJATEL-SKDRFNHKSA-N 274.324 1.533 0 50 CDAA CCOC[C@@H](C)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C 583619173 LLJKFHHULAHONX-IJEWVQPXSA-N 294.443 1.818 0 50 CDAA Cc1cc(NC(=O)[C@@H](C)Nc2cnn(CC(F)F)c2)on1 186303767 AXDPJJBKWTWZEI-MRVPVSSYSA-N 299.281 1.884 0 50 CDAA CC(C)(C)OC(=O)[C@@](C)(O)CN[C@@H]1CCC[C@H]2C[C@H]21 549376100 FVDLTYUJOZHBPQ-YFCNSXCBSA-N 269.385 1.857 0 50 CDAA CC(C)(C)n1nnnc1CN1CC[C@H](c2ncc[nH]2)C1 585116140 IPVPFBXTCRPBOH-JTQLQIEISA-N 275.360 1.141 0 50 CDAA CC(=O)NC(C)(C)c1noc(CN2CCC(C)(C)C2)n1 585133360 GLWCZXMEYVULLN-UHFFFAOYSA-N 280.372 1.673 0 50 CDAA CCN(CC)CC[C@@H](CO)NCc1ccoc1C 585118097 BHGUEYINFMNQOJ-AWEZNQCLSA-N 254.374 1.770 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(C)c2ccccc21 188864885 DMPVKRAIWOUPCW-RYUDHWBXSA-N 288.347 1.811 0 50 CDAA C[C@@H]1CN(C(=O)c2ncc3c(F)cccn23)C[C@H]1CN 638906178 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HGBAQLTWFIMGCK-UHFFFAOYSA-N 268.280 1.253 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)CO[C@H]1CCCC[C@H]1C 408519236 ZSWFHFLWXXYNAK-RFGFWPKPSA-N 268.401 1.920 0 50 CDAA CN(C)c1nccnc1NCc1cccnc1-n1cncn1 1704299598 PNPRPFHJEIQLSW-UHFFFAOYSA-N 296.338 1.130 0 50 CDAA CCc1nnc(NC(=O)c2cc(OC)ccn2)s1 115973103 OJHCQMFSUMQYEJ-UHFFFAOYSA-N 264.310 1.756 0 50 CDAA CC(C)c1ccc(C(=O)NC(C)(CO)CO)s1 120628062 JOJURMSANHZYRB-UHFFFAOYSA-N 257.355 1.345 0 50 CDAA CN(C)Cc1nnc(NCCc2ccc(F)cc2)o1 1704313021 KOAJWCBUEZQJMD-UHFFFAOYSA-N 264.304 1.925 0 50 CDAA O=C(NCC1CSC1)c1cn2c(n1)CCCC2 854871709 FTSPPBBLWGUWKZ-UHFFFAOYSA-N 251.355 1.312 0 50 CDAA CN(CCOc1ccccc1)CC[C@@H]1COCCO1 1775978774 VQAAEKWPULESAZ-OAHLLOKOSA-N 265.353 1.803 0 50 CDAA C[C@@H](CN1CCOCC1)NCc1ccc2cn[nH]c2c1 134526972 AKFZYPAWTYFSRT-LBPRGKRZSA-N 274.368 1.373 0 50 CDAA CCn1ncnc1[C@H](C)Nc1ncc(F)c(OC)n1 1772700312 BOSNYPWPKPCULD-ZETCQYMHSA-N 266.280 1.409 0 50 CDAA CCCN1CCC[C@@H](Nc2nnc(CNC)o2)C1 1772812067 HOUKDSUZOSTDDT-SNVBAGLBSA-N 253.350 1.075 0 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292.379 1.675 0 50 CDAA Fc1cnccc1-c1nc(-c2cnc3cnccn23)no1 350941335 RYWYLTZBTWMAMW-UHFFFAOYSA-N 282.238 1.980 0 50 CDAA O=C(Nc1nccs1)N1CCCN(C(=O)C2CC2)CC1 153093232 YZPQOSMLVUZONJ-UHFFFAOYSA-N 294.380 1.619 0 50 CDAA CCc1oc(C(=O)N2CCOCC[C@H]2C)cc1C(=O)O 375026681 CYHCYMOGUTVFLN-SECBINFHSA-N 281.308 1.791 0 50 CDAA C[C@H](OCCCNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccccc1 262643487 QKKLNSQHGYNDGD-UBHSHLNASA-N 291.347 1.991 0 50 CDAA C[C@H]1OCC[C@@H]1NC(=O)NCc1nccc2c1CCCC2 921704438 ALPCGYNSTYOVIE-RISCZKNCSA-N 289.379 1.937 0 50 CDAA C=CC(=O)N(C)CC(=O)N=[S@]1(=O)CCc2ccccc21 926039091 XKFOPSMWLUEUMQ-FQEVSTJZSA-N 292.360 1.241 0 50 CDAA COC[C@H](O)CN1CC[C@H](C)N(Cc2ccccc2)CC1 127232279 OZZUYPFAUTVLHI-DOTOQJQBSA-N 292.423 1.590 0 50 CDAA CN1CCN(c2cccc(C(=O)O)n2)Cc2cccnc21 873072212 RGFQPNNZVSVBRV-UHFFFAOYSA-N 284.319 1.631 0 50 CDAA CC(C)NC(=O)CN1Cc2c[nH]nc2C(C)(C)C1 1875273860 WVZRBPGKAIUCFH-UHFFFAOYSA-N 250.346 1.028 0 50 CDAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)C1=Cc2ccccc2C1 1875282413 CRQBUTATRWAZRA-INIZCTEOSA-N 296.370 1.896 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H](C)Oc1ccccc1Cl 1875311572 FNDJVHYYSLXRSH-YVFTVSHDSA-N 297.738 1.953 0 50 CDAA CC(C)OC1CCN(C(=O)c2cc(C(=O)O)n[nH]2)CC1 1875393290 CTFUUSWZHOEGFD-UHFFFAOYSA-N 281.312 1.138 0 50 CDAA CN(C)Cc1cc(C(=O)N2CCC[C@@H](F)C2)ccn1 1875339624 QNGSNNAAVMJPSE-GFCCVEGCSA-N 265.332 1.717 0 50 CDAA C[C@H](CO)N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 135529297 IFANTXLKJGYDMU-MRVPVSSYSA-N 297.298 1.707 0 50 CDAA O=C1Nc2ccccc2CC[C@H]1N1CCC(O)CC1 236489957 BVSBJNGYHPDDJG-CQSZACIVSA-N 260.337 1.397 0 50 CDAA CN(CCOc1ccccc1F)C(=O)C1(C(=O)O)CC1 154766510 COBYNQFTOBUOQH-UHFFFAOYSA-N 281.283 1.528 0 50 CDAA CC(C)(C)NC(=O)CCN1CCC[C@H](CCCO)C1 670457426 IPMHNWUVVAMDTR-CYBMUJFWSA-N 270.417 1.776 0 50 CDAA CC(C)n1nccc1C(=O)N1CC[C@H](O)C1(C)C 334687856 SCZNACHNIVXSJY-NSHDSACASA-N 251.330 1.449 0 50 CDAA CCn1ccnc1CN1CC(F)(F)C(F)(F)C1 335592437 WRAQZBLUDIMEFR-UHFFFAOYSA-N 251.227 1.989 0 50 CDAA Cc1cnn(C)c1CN1CC[C@@H](O)CC(C)(C)C1 336226723 HKQIOFXWNGHTOH-GFCCVEGCSA-N 251.374 1.711 0 50 CDAA Cc1ncnc(C)c1C(=O)NCc1csc(N)n1 827597714 GHDNAHVXJGDGRI-UHFFFAOYSA-N 263.326 1.062 0 50 CDAA CCOC(=O)c1ccc(N[C@@H]2C=CS(=O)(=O)C2)cc1 1071810 LLLSDWAECHMAMG-GFCCVEGCSA-N 281.333 1.586 0 50 CDAA CCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 4727625 PLIHOYNACXRNKF-UHFFFAOYSA-N 282.365 1.149 0 50 CDAA Cn1cnc2nc(-c3ccc([C@H]4CNC(=O)C4)cc3)ncc21 2100480648 MJPRZANAKGGBRG-GFCCVEGCSA-N 293.330 1.634 0 50 CDAA Cn1ccc2ccc(C(=O)NCc3cc(CN)ccn3)nc21 2100482392 WBHLPLBXGQUIBU-UHFFFAOYSA-N 295.346 1.357 0 50 CDAA CCN(CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2N)C1 299740209 XATJOCDLWKDGDC-BFHYXJOUSA-N 267.417 1.304 0 50 CDAA O=C(C[C@@H]1COC[C@H]1O)NC[C@@H]1CC12CCSCC2 2325780304 XAHDARHTKJIFRX-GRYCIOLGSA-N 285.409 1.033 0 50 CDAA O=C(O)[C@@H]1CO[C@@H]2CN(Cc3ccnc4[nH]ccc34)C[C@@H]21 2325787195 IXIKAJMATDDSHZ-JHJVBQTASA-N 287.319 1.094 0 50 CDAA C[C@H]1C[C@H]1c1noc(CC(=O)N=c2cc(C3CC3)[nH][nH]2)n1 2325798094 MOUZMCAEZLMSBM-IONNQARKSA-N 287.323 1.397 0 50 CDAA CC[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CCNC1=O 2325800200 WDAOHUKSPJWVKC-BBGACYKPSA-N 250.342 1.208 0 50 CDAA COC1(CNC2=NC[C@@H]3CC[C@@H](C)CN23)CCSCC1 2325864503 QJMOKJXWJFTHHD-OLZOCXBDSA-N 297.468 1.958 0 50 CDAA CCOC(=O)c1c[nH]c2c(C(=O)OC)cccc2c1=O 121062 ULYDEAPQWZWKJY-UHFFFAOYSA-N 275.260 1.491 0 50 CDAA biogenic O=C(N[C@@H](O)C(=O)c1ccccc1)c1ccccc1 262477 JWVPVXMVKOSSRU-HNNXBMFYSA-N 255.273 1.618 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)cc1 390727 WVCKOBQPSKPTQX-VIFPVBQESA-N 257.311 1.089 0 50 CDAA Cc1cccc(OCC(=O)NC2=NCCS2)c1C 513787 WZKKGMOJIXABPH-UHFFFAOYSA-N 264.350 1.901 0 50 CDAA C[C@H](Cn1cncn1)NC(=O)C1(C)CCCCC1 20453002 STJAPQXSOMBONV-LLVKDONJSA-N 250.346 1.753 0 50 CDAA CC[C@@H](C)n1nccc1NC(=O)c1ccc2nnnn2c1 55308632 HZQAWTQFIDDJEJ-SECBINFHSA-N 285.311 1.544 0 50 CDAA C[C@H](N)C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 246467013 COFJXYQBTCAEFS-GFQSEFKGSA-N 262.353 1.711 0 50 CDAA CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OC 10386511 MZLMYEBHXZBIBS-LLVKDONJSA-N 271.338 1.225 0 50 CDAA COc1ccc2c(c1)CN(C(=O)C(=O)O)CCS2 38314370 FPWBHFYYVSNIFZ-UHFFFAOYSA-N 267.306 1.214 0 50 CDAA investigational Cc1cnn(CCCNC(=O)c2ccc3nccn3c2)c1 68325640 VCTONPLYZHHLET-UHFFFAOYSA-N 283.335 1.659 0 50 CDAA O=C(NCc1nc2ccccc2c(=O)[nH]1)c1cscn1 20562828 QPZYGSPBSBAPEK-UHFFFAOYSA-N 286.316 1.310 0 50 CDAA CN1CCC(Cc2noc(CCn3cccc3)n2)CC1 67724425 MHLIADPBRROCED-UHFFFAOYSA-N 274.368 1.998 0 50 CDAA CCN1CCN(C[C@@H](O)COc2ccccc2OC)CC1 20819728 LTVGEDJHAVOKEW-CQSZACIVSA-N 294.395 1.072 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(-n3cnnn3)cc2)C1 20427010 DBRVMMASDXTNSI-TXEJJXNPSA-N 285.351 1.780 0 50 CDAA C[C@@H]1OCC[C@@H]1[S@@](=O)Cc1cn2ccccc2n1 179099040 GBNZRYRVDBQVJO-RSNWOKGLSA-N 264.350 1.760 0 50 CDAA CC(C)c1cc(C(=O)N(C)Cc2nccn2C)no1 121328456 RUSWZRGVMXFQMF-UHFFFAOYSA-N 262.313 1.804 0 50 CDAA CC[C@H](NC(=O)c1ccc(O)cc1F)C1CC(O)C1 218982409 OAGJLXSMNBNVCH-RHYVWVDMSA-N 267.300 1.811 0 50 CDAA Cc1[nH]c(=O)c(C(=O)N(C)CCN(C)C)c(C)c1Cl 216282862 NXGWRVOSQJYYCJ-UHFFFAOYSA-N 285.775 1.279 0 50 CDAA CO[C@H](CNC(=O)N[C@H]1CCCC[C@H]1CO)C(C)C 252517678 OLVYCLKEVXJDQB-RWMBFGLXSA-N 272.389 1.508 0 50 CDAA Cc1nn(CCO)cc1CN(C)Cc1nc2ccccc2[nH]1 215111891 OQRYPDAEYCXZCM-UHFFFAOYSA-N 299.378 1.692 0 50 CDAA Cc1nc(O)cc(C2CCN(Cc3nccn3C)CC2)n1 72171612 OAQDDUXXUDLQAM-UHFFFAOYSA-N 287.367 1.604 0 50 CDAA CC(C)CCC[C@@H]1CN(Cc2c[nH]c(=O)[nH]c2=O)CCO1 71764661 AQUWADRQKWQFOZ-CYBMUJFWSA-N 295.383 1.090 0 50 CDAA CC(C)N1C[C@@H](C)[C@@H](N[C@H]2CCN3CCC[C@@H]3C2)C1 358263838 HOUMOIQGVSYEBN-QXSJWSMHSA-N 265.445 1.932 0 50 CDAA COc1cc(C)cc2c1OCC[C@@H]2NC(=O)C(=O)O 364172331 QDSZGCBGMWKPPD-VIFPVBQESA-N 265.265 1.028 0 50 CDAA C[C@H](C(=O)N[C@H]1CN(c2ccccc2)C1=O)C1CC1 360852808 QROYLYFJGVGLDH-GWCFXTLKSA-N 258.321 1.564 0 50 CDAA CC(C)CCc1noc(CN2C[C@@H](F)C[C@H]2CO)n1 332645177 BOWQKMBEVYPQCO-QWRGUYRKSA-N 271.336 1.563 0 50 CDAA C[C@H]1CNCCN1C(=O)[C@@H]1Oc2ccccc2[C@H]1C 126023846 ICOMDHXXJVIDRB-MISXGVKJSA-N 260.337 1.371 0 50 CDAA COc1cccc(/C(C)=C/C(=O)N2CCN[C@@H](C)C2)c1 155155764 ONPBGYAGLNTYHJ-SRXBQZRASA-N 274.364 1.919 0 50 CDAA O=C(/C=C/c1ccccc1Cl)N1CCO[C@H]2CNC[C@H]21 367183986 DVFAGQZUGPGPMY-IHDARNGBSA-N 292.766 1.552 0 50 CDAA Clc1ccc(CN2CCN([C@@H]3CCNC3)CC2)s1 261572939 MCJDCWRUDHDDNS-LLVKDONJSA-N 285.844 1.881 0 50 CDAA COc1cncnc1NC(=O)NC[C@H](O)c1ccsc1 240278287 DQASYMLJROLODN-VIFPVBQESA-N 294.336 1.402 0 50 CDAA O=C(O)C(=O)N[C@H]1CCCOc2c(Cl)cccc21 368129457 QUXRXLCDTLODJG-VIFPVBQESA-N 269.684 1.755 0 50 CDAA Cc1ccc(C)c(CC(=O)N2CCN(C)[C@@H](CCO)C2)c1 219201012 MIHJMLXLDFDHMS-INIZCTEOSA-N 290.407 1.371 0 50 CDAA CC(C)N1CCCC[C@H]1CN1C[C@H](O)C2(CC2)C1 335241316 LGSQISVMLLYJLK-KBPBESRZSA-N 252.402 1.706 0 50 CDAA Cc1nnc(NC(=O)N(C)C[C@@H]2CCOC2)s1 175149991 MPADKLIXYOVKEG-QMMMGPOBSA-N 256.331 1.347 0 50 CDAA CC(C)c1ccc(C(=O)N2CC(O)(C(F)F)C2)nc1 335568211 IYMIMMOOOQYZGY-UHFFFAOYSA-N 270.279 1.657 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1nc[nH]n1 174566407 UHSSSKBJJVFUSJ-MWLCHTKSSA-N 272.308 1.548 0 50 CDAA Cc1csc(CNS(=O)(=O)N2CCCCCC2)n1 43273121 RGKNGKDHGGJNEK-UHFFFAOYSA-N 289.426 1.662 0 50 CDAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)Cc2cncs2)C1 263106618 BJINVNXYSXCBBY-IUCAKERBSA-N 268.338 1.255 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1sc(C)nc1CC 223451029 JNKUYRDDLHGIFS-VXGBXAGGSA-N 298.408 1.938 0 50 CDAA C[C@H]1OCCN[C@@H]1c1nc(COc2ccccc2F)no1 263294199 WCJMOOHJDZYARJ-RNCFNFMXSA-N 293.298 1.837 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)N[C@H](C(=O)O)C(C)C)c1 426387209 DKTRRRQSLUOMPI-NSHDSACASA-N 295.291 1.232 0 50 CDAA Cc1cccc(OCCN(C)c2cnc(C(=O)O)cn2)c1 263423543 QGPYXYQAPQQDLA-UHFFFAOYSA-N 287.319 1.998 0 50 CDAA CC(C)c1cc(C(=O)NCc2ncc3c(n2)CCC3)n(C)n1 82136820 AXJBPRGUMNHZAW-UHFFFAOYSA-N 299.378 1.752 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cc(F)cc3nccnc23)C1 178985658 GTSQEOKIYCCFHC-JTQLQIEISA-N 288.326 1.450 0 50 CDAA CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)c1 197911282 IHYOLVRNCLHVSL-UMPJEAMMSA-N 297.310 1.722 0 50 CDAA C[C@@H]1CCCC[C@@H]2C(=O)C=C[C@@H](O)[C@H]2CC(=O)O1 137496371 WTQWDNIIFGEBSZ-MPPDQPJWSA-N 252.310 1.614 0 50 CDAA CCc1cc(C(=O)N2CC[C@H](C(=O)O)C2)oc1CC 178273550 GHCRYESMPKKTRN-JTQLQIEISA-N 265.309 1.951 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(C)n1 82147342 MGEZQQCKYSVYPY-AWEZNQCLSA-N 289.379 1.863 0 50 CDAA Cc1csc([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)CCO2)n1 222188115 LPIRMWHADVIRNS-MXWKQRLJSA-N 282.365 1.529 0 50 CDAA COc1ccc2nc(CCNC(=O)NCCF)[nH]c2c1 426622990 OIVLEUNROGTBIW-UHFFFAOYSA-N 280.303 1.383 0 50 CDAA CN(C)CCCNC(=O)N(C)CC[C@H](O)c1ccccc1 426529305 MUEYCKXZVKQLGU-HNNXBMFYSA-N 293.411 1.703 0 50 CDAA CC(=O)N1C[C@H](C(C)C)[C@@H](NC(=O)c2snnc2C)C1 91269936 IIRYMEXGMNFRQX-MNOVXSKESA-N 296.396 1.079 0 50 CDAA Cc1c(I)ccc(N)c1C(=O)O 144941187 NWUJRNVBMONXGY-UHFFFAOYSA-N 277.061 1.880 0 50 CDAA in-vitro C[C@@H](NC(=O)CN1CCC(C(N)=O)CC1)C1=CCCCC1 91695839 MRJGEUYATVKJMN-GFCCVEGCSA-N 293.411 1.189 0 50 CDAA O=C(NCC(F)(F)F)c1c[nH]c(=O)c2ccccc12 97515068 CKJPMZXIOUTMAY-UHFFFAOYSA-N 270.210 1.820 0 50 CDAA O=C(NCc1ccc2nc(O)[nH]c2c1)N1CCSCC1 426411134 AUMHXLGYXYQOEA-UHFFFAOYSA-N 292.364 1.527 0 50 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TUTLCZYPHMNJDX-VCTAVGKDSA-N 270.336 1.888 0 50 CDAA CCc1noc(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)n1 902988251 OCSDMNBICCIFSX-SNVBAGLBSA-N 280.372 1.434 0 50 CDAA O=C(Cc1ccc(C(F)(F)F)cc1)NC1(C(=O)O)CC1 203661150 QZHUHKKRLMMJQB-UHFFFAOYSA-N 287.237 1.981 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccsc1 72588 QJKNCYMVAPBLOZ-SECBINFHSA-N 252.295 1.549 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cccs2)S1 89946 BIPYEWPIKKNUMI-LLVKDONJSA-N 283.378 1.923 0 50 CDAA COc1ccc(S(=O)(=O)n2cnc(C)c2)cc1 313637 WJJCAGFRLRUZCA-UHFFFAOYSA-N 252.295 1.437 0 50 CDAA Nn1c(COc2ccccc2)nnc1SC(F)F 612808 NEYKKGVGPSFWOW-UHFFFAOYSA-N 272.280 1.886 0 50 CDAA O=C(NCCc1ccc(Cl)cc1)C(=O)NC1CC1 2848427 OJXUXAGDENFBLQ-UHFFFAOYSA-N 266.728 1.277 0 50 CDAA O=C1CCC(=O)N1OCCCCOc1ccccc1 2868216 RFEHGQVMRDHQPX-UHFFFAOYSA-N 263.293 1.926 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc1 2900792 ZYFUNXTYNIYYJI-NSHDSACASA-N 271.338 1.383 0 50 CDAA in-vitro O=C(O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 4198685 XGOXPTXOQXHIDL-UHFFFAOYSA-N 283.349 1.996 0 50 CDAA Cc1cccc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1 4944774 KELBVIAXJKVCBX-VIFPVBQESA-N 270.292 1.135 0 50 CDAA O=C(O)COCC(=O)N1CCCCc2ccccc21 6668285 CFYXNUWASZWFFO-UHFFFAOYSA-N 263.293 1.457 0 50 CDAA Cc1ccn(C(=O)CCN2C(=O)c3ccccc3C2=O)n1 6743488 GLPSPRDBRNCSSR-UHFFFAOYSA-N 283.287 1.518 0 50 CDAA O=C(CC1(O)CCC1)N[C@H]1CCN(c2ccc(F)cc2)C1 412958831 ZHWSMTLOLOVJGL-ZDUSSCGKSA-N 292.354 1.826 0 50 CDAA CC(=O)Nc1ccn([C@H]2CCN(C[C@H](O)C(C)C)C2)n1 225847635 SKOGHYBTNUHTDD-STQMWFEESA-N 280.372 1.105 0 50 CDAA COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1C 9140087 IQCNYNZRYQKHNY-UHFFFAOYSA-N 276.336 1.341 0 50 CDAA CO[C@H]1C[C@@H](CO)N(Cc2ccn(-c3ccccc3)n2)C1 344014206 LJAAQIPZPXBWKM-HOTGVXAUSA-N 287.363 1.454 0 50 CDAA Cc1nsc(NC(=O)N2CCC[C@](C)(O)C2)n1 55401359 AAVSGBPNWVVPIY-JTQLQIEISA-N 256.331 1.225 0 50 CDAA COc1ccc(N(CCCC(=O)O)S(C)(=O)=O)cc1 113879075 GRBOPQHXSGEWPI-UHFFFAOYSA-N 287.337 1.326 0 50 CDAA CCc1csc(CN[C@H](C)Cn2cncn2)n1 67713997 KAWPQQXPMZSIGU-SECBINFHSA-N 251.359 1.475 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)C2CCOCC2)C1 347986197 BXACFQILIBACJK-GJZGRUSLSA-N 296.411 1.125 0 50 CDAA CCC[C@H](C)NS(=O)(=O)Cc1noc(C2CC2)n1 1363761595 AEIMNLWIVVLQJK-QMMMGPOBSA-N 273.358 1.555 0 50 CDAA CO[C@H]1C[C@H](C(=O)N(C)C)N(C(=O)OC(C)(C)C)C1 138889197 LTWCBJMKCSRGAY-VHSXEESVSA-N 272.345 1.099 0 50 CDAA COc1ccccc1CC(=O)NC[C@@H]1CCN(C)C1 66652583 ULIXRAHICVYATP-LBPRGKRZSA-N 262.353 1.306 0 50 CDAA COCc1ncc(CN2CCC[C@H](c3ccn[nH]3)C2)cn1 67934281 SIPHQRQUYKDTEA-ZDUSSCGKSA-N 287.367 1.726 0 50 CDAA CC(C)c1cc(C(=O)NCCn2cccn2)n(C)n1 174129860 LNQVIKGEEIXNNF-UHFFFAOYSA-N 261.329 1.170 0 50 CDAA Cc1nc(N[C@H]2CCN(C(C)C)C2=O)c2cnn(C)c2n1 172151557 IGSIBPQLDIXVCR-NSHDSACASA-N 288.355 1.093 0 50 CDAA CCOC(=O)c1ccc(N)c(I)n1 306810809 VHNKLFOTQLAAEU-UHFFFAOYSA-N 292.076 1.445 0 50 CDAA COC(=O)[C@@H]1CCc2nnc([C@]3(C)CCCO3)n2CC1 601044403 PKOUVAIGPGAGJV-YGRLFVJLSA-N 279.340 1.429 0 50 CDAA CCCc1nc(C)cc(NCCc2nnc(N)s2)n1 65373970 OIWQDRGPGDCVBG-UHFFFAOYSA-N 278.385 1.826 0 50 CDAA CC[C@@]1(C(=O)O)CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 62869994 ZHHMTUXIMDFLLN-OAHLLOKOSA-N 293.367 1.672 0 50 CDAA O=C(N=c1ccc(C2CC2)n[nH]1)[C@H]1COc2ccccc2C1 329313704 DESSNDXNJFAZPS-CYBMUJFWSA-N 295.342 1.966 0 50 CDAA CCc1noc(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)n1 252512215 OCVGDLWYOLZNKY-TUAOUCFPSA-N 292.383 1.511 0 50 CDAA NS(=O)(=O)c1ccc(Br)c(F)c1 404227 QTICZSSQSQDJEX-UHFFFAOYSA-N 254.080 1.236 0 50 CDAA biogenic,in-vitro CN(C(=O)OC(C)(C)C)c1cccc(S(N)(=O)=O)c1 149454984 ZBMCSZNQBVGNIU-UHFFFAOYSA-N 286.353 1.705 0 50 CDAA Cc1onc(N)c1S(=O)(=O)N1CCCC[C@H]1C 72240889 LQDPTHXVRTZCKH-SSDOTTSWSA-N 259.331 1.128 0 50 CDAA COc1csc(C(=O)N2CC[C@@H](N)C[C@@H]2C)c1 124749526 DMHRNJCIUZIWTM-DTWKUNHWSA-N 254.355 1.709 0 50 CDAA CCN1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 36289223 WNSZIPYAVBFSOF-UHFFFAOYSA-N 298.408 1.330 0 50 CDAA Cc1cc(C)nc(N2CCC(N3CCOCC3)CC2)n1 32565362 WQNHHLLCRAAELF-UHFFFAOYSA-N 276.384 1.394 0 50 CDAA CC(C)c1ncc(CN(C)C(=O)c2cncc(O)c2)cn1 355821226 QKVUZEHAEHMYQQ-UHFFFAOYSA-N 286.335 1.973 0 50 CDAA CCc1nccc(CN2CC[C@@]3(C2)CN(C)C(=O)O3)n1 216396788 WAJGDEWZFKQSHG-AWEZNQCLSA-N 276.340 1.066 0 50 CDAA C[C@@H](NC(=N)O)C(=O)N1CC[C@H](Nc2ccccc2)C1 330535563 WBJUYWRVEQRCAA-PWSUYJOCSA-N 276.340 1.170 0 50 CDAA CN(CC1CC1)C[C@H]1CN(C(=O)c2ccc[nH]2)CCO1 328648447 UOIHSDBFAUBEQY-ZDUSSCGKSA-N 277.368 1.198 0 50 CDAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2cccnc2C)C1 331765598 AXIZWBFFZBGXHW-OLZOCXBDSA-N 273.340 1.470 0 50 CDAA O=C(c1cc2nccnc2cc1F)N1CCO[C@H](CF)C1 332513037 IVQROGIXIOGDOJ-SECBINFHSA-N 293.273 1.579 0 50 CDAA C[C@H](C(=O)O)N(C(=O)Cn1ncc2ccccc21)C1CC1 262645600 QYJKKXRACLZUIT-SNVBAGLBSA-N 287.319 1.500 0 50 CDAA CCN1CCN(S(=O)(=O)c2ccc(C)s2)CC1 36096778 OPLMCAFDEKHXSZ-UHFFFAOYSA-N 274.411 1.383 0 50 CDAA Cn1ccnc(NC(=O)c2cnc(C(C)(C)C)s2)c1=O 129512757 RADLJESARROIRJ-UHFFFAOYSA-N 292.364 1.787 0 50 CDAA O=C1[C@H]2COCCN2C(=O)N1c1ccc(F)c(C2CC2)c1 335084867 JLFJOPUADBXNDV-CYBMUJFWSA-N 290.294 1.871 0 50 CDAA O[C@]1(c2c[nH]nn2)CCN(Cc2cc(F)cc(F)c2)C1 285402836 GEZUBBFSUZOTLK-CYBMUJFWSA-N 280.278 1.176 0 50 CDAA CCCc1cc(C(=O)NCCN2CCC[C@H](CO)C2)no1 82114801 SJCAQZBUIXHVFF-LBPRGKRZSA-N 295.383 1.061 0 50 CDAA CC(=O)N(C)c1cccc(NC(=O)c2nccnc2N)c1 175236741 IMPYKWYDZNMRKJ-UHFFFAOYSA-N 285.307 1.294 0 50 CDAA OC[C@H](O)CSCc1cc(F)cc2c1OCOC2 177435768 XUYHVSQIAHTOLQ-NSHDSACASA-N 274.313 1.279 0 50 CDAA COc1nscc1NC(=O)NC[C@@]1(C)CCCO1 1365077704 QRXGSFWUPHEPLS-LLVKDONJSA-N 271.342 1.842 0 50 CDAA COC[C@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 221201349 BLGCXRBLGCLWIF-NSHDSACASA-N 271.320 1.738 0 50 CDAA CCc1cnc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)nc1 223674152 AIFVOTAXASTWCE-YVECIDJPSA-N 262.357 1.168 0 50 CDAA CCN(CC)C(=O)c1ccc(CS(C)(=O)=O)cc1 42629778 YPXRGKTWWZZTTC-UHFFFAOYSA-N 269.366 1.713 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)C(=O)c2cccnc2)n1 222798857 FZVVLFZTOPKANG-GFCCVEGCSA-N 283.331 1.715 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)COc1ccccc1 220372551 BWMJIGAOOQQGDC-XNISGKROSA-N 291.347 1.232 0 50 CDAA O=C(CCc1cnccn1)N1CCC(c2ncon2)CC1 426667442 KKZDQXHVOXVFCH-UHFFFAOYSA-N 287.323 1.198 0 50 CDAA Cc1cccc(N2CCC(N[C@@H]3CCNC3)CC2)c1 426422771 FPQXPLLGUNKIPQ-OAHLLOKOSA-N 259.397 1.915 0 50 CDAA Cc1ccc(CC(=O)N[C@H]2CC[C@@H](CO)CC2)cc1O 180356298 OAMMORRLAIXBJZ-MQMHXKEQSA-N 277.364 1.910 0 50 CDAA Cc1cncc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1 97570967 AQYIWJRGWDNTSB-UHFFFAOYSA-N 284.367 1.181 0 50 CDAA COc1ccc2cc(C(=O)NCCn3ccnn3)n(C)c2c1 426615224 WRTBMEQHRIHIQX-UHFFFAOYSA-N 299.334 1.208 0 50 CDAA Cc1ccc(-c2cc(C(=O)NCCc3c[nH]cn3)n[nH]2)o1 97527394 OIGHKWWIHNYQNJ-UHFFFAOYSA-N 285.307 1.674 0 50 CDAA CC(=O)N1CCC[C@@H](C(=O)Nc2cc(C3CC3)n(C)n2)C1 290970119 QSEMHLCCXFVDLB-GFCCVEGCSA-N 290.367 1.495 0 50 CDAA O=C(C[C@@H]1CNCCO1)N1CCC[C@H]1c1ccccc1 91299512 WMYVKKFCIFSXOQ-CABCVRRESA-N 274.364 1.729 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2c(Cl)nc3ccccn23)C1 178990129 LZKGKDLBBOUHQE-JTQLQIEISA-N 292.770 1.669 0 50 CDAA Cc1cc(=O)cc(C(=O)NCCCOC2CCCC2)[nH]1 426519271 PBCUROWMTJNKIN-UHFFFAOYSA-N 278.352 1.762 0 50 CDAA C[C@@H](C(=O)NCc1cnc2cnccn12)N1CCCCC1 426383727 CVAHVKAOSGTTKC-LBPRGKRZSA-N 287.367 1.220 0 50 CDAA Cc1nnsc1CN1C[C@@H](C(=O)O)[C@H](C2CC2)C1 91550429 VSKJTZVNKFLDHS-VHSXEESVSA-N 267.354 1.389 0 50 CDAA Cc1cnn(CC2CCN(C(=O)[C@H]3CCCCO3)CC2)c1 336491394 FIALLWWBLGRUIU-OAHLLOKOSA-N 291.395 1.999 0 50 CDAA CC1(C)CN(C(=O)c2ncccc2O)C[C@]1(C)O 92002675 VFTDKJFPAMGRQH-ZDUSSCGKSA-N 250.298 1.020 0 50 CDAA CC(C)n1nc([C@@H]2CCOC2)nc1CNC1CC1 97529034 XXTQWOXADMMHAK-SNVBAGLBSA-N 250.346 1.615 0 50 CDAA CCN(CC(=O)O)C(=O)[C@H]1CCCN1Cc1ccccc1 236959085 LINHLMLUUXHUMB-CQSZACIVSA-N 290.363 1.584 0 50 CDAA Cc1ncn(CC(=O)N2CC[C@@](O)(c3ccccc3)C2)c1C 244718693 LPGPZBJPJJHHQR-KRWDZBQOSA-N 299.374 1.620 0 50 CDAA Cn1cncc1CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 257316909 VHNKXRAAHBQKNV-HUUCEWRRSA-N 273.336 1.044 0 50 CDAA CN(C(=O)c1cc(OCC(F)F)ccn1)c1cnn(C)c1 182978998 QUWOHHUVVVMCMM-UHFFFAOYSA-N 296.277 1.736 0 50 CDAA CN(CCC(=O)O)C(=O)c1ccccc1N1CCOCC1 299739707 ADLZVDQHMDSLMZ-UHFFFAOYSA-N 292.335 1.070 0 50 CDAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cnc[nH]1 252489325 JOFOAPUHGANADZ-QMMMGPOBSA-N 262.338 1.982 0 50 CDAA CCCCN1CCOC[C@@H]1C(=O)NCc1cccnc1 184168423 QTCKJPDANHLJTJ-CQSZACIVSA-N 277.368 1.199 0 50 CDAA CC(C)[C@@H](C(=O)N[C@@H](C)CO)N1Cc2ccccc2C1=O 257198515 BCKMAVHWUXPSMB-FZMZJTMJSA-N 290.363 1.164 0 50 CDAA biogenic Cc1cnn([C@@H](C)CNC(=O)c2c[nH]c(=N)s2)c1 534655947 WCKIWKCAFJKRTD-QMMMGPOBSA-N 265.342 1.052 0 50 CDAA CC(C)c1cc(CNC(=O)N2CCCC[C@@H]2CO)no1 534668536 AUJDFEHCGGTMPR-GFCCVEGCSA-N 281.356 1.854 0 50 CDAA CCN1CCC[C@H]1C(=O)NCC1(COC)CCCC1 534665395 SNSCTSLKTOVIKJ-ZDUSSCGKSA-N 268.401 1.794 0 50 CDAA CCc1noc([C@H](C)NC(=O)c2nn(C)cc2Cl)n1 823569531 XQTONDWHZFONLN-LURJTMIESA-N 283.719 1.510 0 50 CDAA C[C@@H](CN1CCCC1)NC(=O)N1CC(c2ccncc2)C1 821793846 HLUQKDBUZMTGJB-ZDUSSCGKSA-N 288.395 1.675 0 50 CDAA Cc1nncn1CCN(C)C[C@H]1CCN(C)C1(C)C 823690234 RRXCHIUDHABVQW-CYBMUJFWSA-N 265.405 1.249 0 50 CDAA COc1nc(NCCC2(O)CCCC2)ncc1F 824845859 WVRAGMISLPVQDE-UHFFFAOYSA-N 255.293 1.731 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CC[C@@H](OC)C2)cc1C 751981421 KXFXRMJNYSRQTA-GFCCVEGCSA-N 299.392 1.803 0 50 CDAA Cn1c(Cl)cnc1CN1c2ccccc2C[C@@H]1CO 852405524 ZFDCUXDYRNWZNX-LLVKDONJSA-N 277.755 1.997 0 50 CDAA CC(=O)c1cc2c(cc1NC(=O)[C@H]1CCCO1)OCCO2 952983756 XAZLOUICUHNQCV-GFCCVEGCSA-N 291.303 1.778 0 50 CDAA CC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)O 269086197 NDFVNTBVXPTVMG-ZDUSSCGKSA-N 279.292 1.183 0 50 CDAA CN(c1nc(=O)c2cn[nH]c2[nH]1)[C@H]1CCc2ccccc21 170598810 XPKFMGWCWYCUKM-LBPRGKRZSA-N 281.319 1.770 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2CCCN2C2CCOCC2)C[C@@H](C)O1 170592314 LAAPVYCPAFRECG-GUTXKFCHSA-N 296.411 1.266 0 50 CDAA O=S1(=O)COCCN1Cc1ccc(F)cc1F 91412245 FMDWJNJQDFSIBZ-UHFFFAOYSA-N 263.265 1.084 0 50 CDAA O=C(CCc1cccc2c1OCO2)NCC1(O)CCCC1 185664057 WHUBQNJGJDGMNW-UHFFFAOYSA-N 291.347 1.769 0 50 CDAA O=C(NCc1noc(-c2cccs2)n1)OCCF 583651647 PZQKRKFDXAKSLF-UHFFFAOYSA-N 271.273 1.994 0 50 CDAA CC[C@H](C)[C@H](CN1CCN(C)[C@H](c2nc(C)no2)C1)OC 583650971 DKFRXFXJWLJOGB-UBHSHLNASA-N 296.415 1.728 0 50 CDAA O=C(CCc1ccccn1)N1CCNC[C@@H]1c1ccncc1 584524632 ZGLQTQLWVUHHAZ-MRXNPFEDSA-N 296.374 1.582 0 50 CDAA O=C(O[C@@H]1CCOC1)N1CCN(c2ccncc2)CC1 585135254 ZVTRUYIIQRFFAJ-CYBMUJFWSA-N 277.324 1.129 0 50 CDAA CCC[C@H](CNC(=O)c1cc(OC)ns1)C(=O)O 585134019 AWEIPMGKHSMIDH-SSDOTTSWSA-N 272.326 1.382 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ccn[nH]2)CC1 187864129 MGCOIQLKXBMXKI-DGCLKSJQSA-N 277.368 1.931 0 50 CDAA CC(C)c1ccc(S(=O)(=O)[C@@H](C)c2nnnn2C)cc1 188923032 ZFWUSGUZVMCPJG-JTQLQIEISA-N 294.380 1.868 0 50 CDAA COC[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCCO1 189473648 JSFYDLKMIJARLO-GJZGRUSLSA-N 277.364 1.882 0 50 CDAA CC[C@]1(C)CN(C(=O)N[C@@H]2CCCOCC2)CCO1 190810334 PIAHRZXZACJTMB-TZMCWYRMSA-N 270.373 1.766 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cc[nH]c(=N)c2)C1 643856028 SBYYJHGFZFVXKW-NEPJUHHUSA-N 273.340 1.179 0 50 CDAA COC(=O)[C@H](C)N(Cc1nnc(C)o1)C1CCC1 192382622 GRJIPIQGNXXQPC-QMMMGPOBSA-N 253.302 1.294 0 50 CDAA O=C(NCc1ccc2c(c1)OCCO2)C1(O)CCCC1 194443665 FOQBORWPGKMKEU-UHFFFAOYSA-N 277.320 1.379 0 50 CDAA O=C(CCc1cccc(F)c1F)N[C@@H]1CCCCNC1=O 194735809 FTSCBFHUUOGGNC-GFCCVEGCSA-N 296.317 1.682 0 50 CDAA Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)c1 195544572 BNIYWYFVJDFDOE-GWCFXTLKSA-N 286.372 1.540 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1 567051839 AHHNHGZJQOVZKM-RWMBFGLXSA-N 290.319 1.092 0 50 CDAA CCN1CCC[C@H](CNC(=O)c2ccn(CC)n2)C1 567944212 GQWBWIRVIZCDAC-GFCCVEGCSA-N 264.373 1.365 0 50 CDAA CO[C@@H]1CCC[C@@H]([C@H](CO)NS(=O)(=O)C2(C)CC2)C1 657076251 OZZQJWWSAPYTGW-UTUOFQBUSA-N 291.413 1.024 0 50 CDAA Cc1nocc1COc1cccc(C(=O)NCCO)c1 663975999 OQXFMOFAZBPQSB-UHFFFAOYSA-N 276.292 1.284 0 50 CDAA Cc1ncc2c(n1)CN(Cc1cccc(C(N)=O)c1)CC2 1615559794 LGMKXYXNNGETGJ-UHFFFAOYSA-N 282.347 1.442 0 50 CDAA COCCCC(=O)Nc1nc(C(=O)OC)c2ccccn12 1615614557 OPRVESNRZUZAIW-UHFFFAOYSA-N 291.307 1.486 0 50 CDAA CCn1ncc(CN(C)c2cc(NCCO)ncn2)c1C 1506403812 WCQADBTVNIJSKH-UHFFFAOYSA-N 290.371 1.042 0 50 CDAA Cc1ncsc1CCN(C)c1ncc2cn[nH]c2n1 1857677509 FLZPDQQBLOGEAO-UHFFFAOYSA-N 274.353 1.797 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](N2CCCC2)C1 227276852 FEWCJAQIIVSGDM-MELADBBJSA-N 265.401 1.201 0 50 CDAA C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccsc1 669900591 XVLLNAVLPNLHIE-PSASIEDQSA-N 252.339 1.594 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(C)=O 4839250 XXKJBDDQVFVOAF-UHFFFAOYSA-N 298.364 1.438 0 50 CDAA C=CC(=O)Nc1ccc(N2CCN(C)CC2)c(F)c1 1772718336 UXRJTNWWBDDYHA-UHFFFAOYSA-N 263.316 1.702 0 50 CDAA O=C([C@H](O)c1ccccc1F)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775982553 WYCCNHYYSFOVGE-YAMSLAJTSA-N 279.311 1.088 0 50 CDAA Cc1cccn2cc(CN3C[C@@H]4CCCN4C(=O)[C@H]3C)nc12 1772702113 UKVVSMLNLZQVCA-HIFRSBDPSA-N 298.390 1.838 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCC2)cc1N 11736802 QXQAVWWMHBVRQZ-UHFFFAOYSA-N 256.327 1.062 0 50 CDAA O[C@](C1=NCCN1)(c1ccc(Cl)cc1)c1ccccn1 11616987 DITYEPYMBCHKLF-OAHLLOKOSA-N 287.750 1.973 0 50 CDAA in-man CC(C)(C)CN1CCC[C@](O)(CN2CCCCC2)C1=O 12302527 JCRYOGPGGVULMQ-INIZCTEOSA-N 282.428 1.872 0 50 CDAA NCCS[C@@H]1CC(=O)N(c2ccccc2)C1=O 19765499 BPLRIIWVDGMZTA-SNVBAGLBSA-N 250.323 1.010 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 169578065 WXNXDJZLDYGMOY-WYUUTHIRSA-N 275.691 1.783 0 50 CDAA O=c1c2[nH]ccc2ncn1CCN1CCCCCC1 1857698267 JCZOMGDKAHDLKP-UHFFFAOYSA-N 260.341 1.601 0 50 CDAA Cn1ccnc1-c1csc(N2CCOCC2)n1 408524706 XZVWMTJIRMIMBF-UHFFFAOYSA-N 250.327 1.380 0 50 CDAA CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N2CCCCCC2)C1 225388331 GFTZAYYUWMMUST-UKRRQHHQSA-N 295.427 1.378 0 50 CDAA O=C(Cn1cccn1)N1CC[C@@H]1c1ccc(F)cc1 618050433 YOPWRBDKOSYVJU-CYBMUJFWSA-N 259.284 1.996 0 50 CDAA Cc1ccccc1C1(C(=O)N2CCO[C@H](C(=O)O)C2)CC1 123483255 DPEQUIDTTCPLRY-ZDUSSCGKSA-N 289.331 1.339 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](C(=O)O)C1 237413253 VMABQPLHGGQBDY-XVKPBYJWSA-N 266.297 1.328 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)CCC2CCOCC2)C1 237522173 ZWUBBLPPXNXOKB-CQSZACIVSA-N 269.341 1.516 0 50 CDAA COc1cc(C(=O)O)ccc1CCNC(=O)C1(C)CC1 450526595 VXZPVMBLORZXIM-UHFFFAOYSA-N 277.320 1.852 0 50 CDAA C[C@@H]1C[C@@H](C)[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)O1 263574110 NIBHDYJCTCHUIP-HBJVGIJOSA-N 291.347 1.612 0 50 CDAA CC1CCN([C@H](CNC(=N)N)c2ccccc2)CC1 263967913 MSPXRXAFEMNKEL-CQSZACIVSA-N 260.385 1.943 0 50 CDAA CO[C@@H]1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1 234957925 WOUBQMZAPSEJPT-KFWWJZLASA-N 274.364 1.385 0 50 CDAA COc1cccc(S(=O)(=O)NCCc2cnoc2)c1 907383755 GLUIUFGUANSEPE-UHFFFAOYSA-N 282.321 1.204 0 50 CDAA Cc1noc(C[C@H]2CCCN(S(=O)(=O)C3(C)CC3)C2)n1 907498005 LOHFTOFFXAYKAS-LLVKDONJSA-N 299.396 1.515 0 50 CDAA C[C@H]1CCc2nc(C(=O)N3C[C@H]4COC[C@H]4C3)cn2C1 913790552 ZRNDKDGLKKNWNC-SDDRHHMPSA-N 275.352 1.184 0 50 CDAA Cc1ccc(O)cc1C(=O)N[C@@H](C(=O)O)[C@@H]1CCCOC1 909535879 AZPIFGKBVPHICR-ZWNOBZJWSA-N 293.319 1.310 0 50 CDAA COc1cccc(CN2CCN(c3nc[nH]n3)CC2)c1C 930868285 HVLSYZGLPDKWET-UHFFFAOYSA-N 287.367 1.444 0 50 CDAA C[C@H]1Cn2nc(C(=O)Nc3ccc4c[nH]nc4c3)cc2CN1 1121946596 WRJGTPPBQNDDLH-VIFPVBQESA-N 296.334 1.503 0 50 CDAA CCOc1cccc(C(=O)NS(=O)(=O)C2CC2)c1 851294790 UUHGGCGLRNIEQY-UHFFFAOYSA-N 269.322 1.307 0 50 CDAA CC(=O)N[C@@H]1CC12CCN(c1nccc(C)n1)CC2 952895084 SNSQLJLNLMMPMG-GFCCVEGCSA-N 260.341 1.280 0 50 CDAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3conc3C)C2)o1 952890745 ICNPBTFSSMHJHW-MNOVXSKESA-N 290.323 1.816 0 50 CDAA C[C@H]1CC[C@@H](CS(=O)(=O)N2CCCc3n[nH]cc32)O1 1875298115 ORTBVJDUTKPRJS-UWVGGRQHSA-N 285.369 1.060 0 50 CDAA CC(C)[C@]1(CO)CCN(c2ccc(-n3ccnc3)nn2)C1 1875260461 XYTICZHJTLYKST-OAHLLOKOSA-N 287.367 1.507 0 50 CDAA N[C@@H]1C[C@@H](C(=O)O)CN(C/C=C/c2ccccc2)C1 1875302656 AWSWTMSAOCUSHN-HMJDLUCASA-N 260.337 1.434 0 50 CDAA O=C(Cc1cc(C(F)(F)F)n[nH]1)N1CCSC1 1875335333 CJNQIFLMJZPEOF-UHFFFAOYSA-N 265.260 1.504 0 50 CDAA CCC1(CC)CNC(=O)[C@@H]1NC(=O)C1CCSCC1 886722790 KXMIXEDAMVDEIG-NSHDSACASA-N 284.425 1.551 0 50 CDAA Cn1cnc(CNC(=O)[C@@H]2CCO[C@H]2c2ccccc2)c1 890103950 FHHSTRKWGSYIPQ-CABCVRRESA-N 285.347 1.814 0 50 CDAA Cc1ccc(C)c(C(=O)N2CC(O)(c3cc[nH]n3)C2)c1 1775987099 ORTVBWSNNKREIT-UHFFFAOYSA-N 271.320 1.370 0 50 CDAA O=C(NCc1ncc(C(F)(F)F)[nH]1)[C@@H]1CCCS1 1775984898 KBXKUYVILXXSFS-LURJTMIESA-N 279.287 1.940 0 50 CDAA CC1(CNC(=O)c2ccncc2Br)COC1 154596176 QKGAHUPOACQTNX-UHFFFAOYSA-N 285.141 1.610 0 50 CDAA C[C@H]1CCCN(C(=O)CC2CCOCC2)[C@H]1CN 156955591 IYGSGJRFMBXOCL-AAEUAGOBSA-N 254.374 1.389 0 50 CDAA CN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc2c(c1)OCO2 39644537 SBKFDUTYUXGTPX-RNCFNFMXSA-N 277.276 1.409 0 50 CDAA Cc1nsc(NC(=O)[C@@H]2CCc3cn[nH]c3C2)n1 266365022 HRSBTHVWGKKHJO-SSDOTTSWSA-N 263.326 1.313 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(C)cc(Cl)c2)C1 284966257 WUVNLBBNKKVAQI-QWHCGFSZSA-N 283.755 1.870 0 50 CDAA CCN=c1[nH]c(C(=O)N2CCOCC23CCC3)cs1 612776623 PERCYVIMFPJJAH-UHFFFAOYSA-N 281.381 1.392 0 50 CDAA O=S1(=O)CCC[C@H](NCc2ccc3nc[nH]c3c2)C1 531257231 UZBJONIRTHCMAX-NSHDSACASA-N 279.365 1.230 0 50 CDAA COCC1(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 335967587 GUNSNRCNHGUNTA-WFASDCNBSA-N 267.369 1.567 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCC(=O)N1 343404548 MYPKFARTWKDOFH-NOOOWODRSA-N 250.342 1.445 0 50 CDAA COc1cnc(NC(=O)[C@@H]2CCCc3c2ncn3C)s1 2325780187 MQLJJAHEEXKZNB-MRVPVSSYSA-N 292.364 1.944 0 50 CDAA CO[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cccn2nccc12 2325791210 AZPFNLZSGYILLS-REJLFOLJSA-N 285.347 1.878 0 50 CDAA CC1=C(c2cccc(CNS(C)(=O)=O)c2)CNCC1 2325848306 DFTDDJKGJQBRHL-UHFFFAOYSA-N 280.393 1.503 0 50 CDAA Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)o1 1054594 RFURXZGPPHBLQS-UHFFFAOYSA-N 286.335 1.649 0 50 CDAA COCCCNC(=O)COc1ccccc1Cl 2049697 HRPIHSZIIHWTFI-UHFFFAOYSA-N 257.717 1.872 0 50 CDAA CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O 2390944 RFCVXVPWSPOMFJ-STQMWFEESA-N 278.352 1.172 0 50 CDAA endogenous,in-vitro CCCCOC[C@@H](O)Cn1c(CO)nc2ccccc21 2476660 JKTQANWKWFQOKR-LBPRGKRZSA-N 278.352 1.706 0 50 CDAA COc1ccc(NC(=O)C(=S)N2CCOCC2)cc1 2879159 GJJUVLSZRDAWMH-UHFFFAOYSA-N 280.349 1.293 0 50 CDAA COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 3806721 OROGSEYTTFOCAN-DNJOTXNNSA-N 299.370 1.501 0 50 CDAA biogenic,fda CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 4501653 OMFFMPHXNDLYOA-SNVBAGLBSA-N 285.365 1.925 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)NCCc1ccc(F)cc1 6740976 HPNWBDGGZCFWDL-UHFFFAOYSA-N 297.355 1.389 0 50 CDAA COc1ccc(NC(=O)C[C@@H](C)n2cncn2)cc1 7616321 BKEACHBIJRZAEX-SNVBAGLBSA-N 260.297 1.877 0 50 CDAA C[C@H](NCCc1ccc2c(c1)OCO2)c1ccc(=O)[nH]n1 225631745 WVOFKTYAPBJNFV-JTQLQIEISA-N 287.319 1.392 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1cccc2c1OCO2 343871325 MBAIRCMBOOEGLD-QWHCGFSZSA-N 279.336 1.651 0 50 CDAA CN(C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccccn1 134551936 LEXYISOVBDXZSO-ZDUSSCGKSA-N 287.363 1.693 0 50 CDAA CCN(CC)C(=O)[C@H]1CCCN(c2nccc(NC)n2)C1 65376555 AJBNKRNXXWJCMI-LBPRGKRZSA-N 291.399 1.603 0 50 CDAA CCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)n[nH]c1=O 67909170 WCWIVPATIMHYFW-GFCCVEGCSA-N 286.335 1.107 0 50 CDAA O=C([C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 20522507 CVCXQKQISVUPBX-HNNXBMFYSA-N 274.364 1.510 0 50 CDAA CCCN(CCC)C(=O)c1cc(CN2CCOCC2)on1 67757074 ACKWSOPBZBUQOZ-UHFFFAOYSA-N 295.383 1.769 0 50 CDAA O=C(O)Cc1ccccc1-n1ccc(-c2cnccn2)n1 67805712 FCTQDZRHBWVGSF-UHFFFAOYSA-N 280.287 1.956 0 50 CDAA O=c1c2ccncc2ncn1Cc1ccc2nsnc2c1 32590293 QCKDGPUOPAHNMP-UHFFFAOYSA-N 295.327 1.845 0 50 CDAA CCOc1cccc(CNc2nc(N(C)C)n[nH]2)c1 253429662 OEXQSEHSELKHRM-UHFFFAOYSA-N 261.329 1.882 0 50 CDAA NC(=O)C[C@@H]1CCCN(C(=O)N2CCc3ccccc32)C1 252537159 KMIQCZAKAIRZQC-LBPRGKRZSA-N 287.363 1.757 0 50 CDAA CS(=O)(=O)CC(=O)c1ccc(C(F)(F)F)cc1 153885 RFYXRUBKCQDSQT-UHFFFAOYSA-N 266.240 1.933 0 50 CDAA in-vitro Cc1c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cnn1C 229380753 IKJPBGIRMLNEBQ-NEPJUHHUSA-N 278.400 1.579 0 50 CDAA C[C@H](N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccncc1 229308447 GFQDUNIMFZSDMA-SGMGOOAPSA-N 297.424 1.402 0 50 CDAA O=C(c1ccccn1)N1N=C(C(F)F)C[C@]1(O)C(F)F 374823 JXJMUSPAQFRNIX-NSHDSACASA-N 291.204 1.502 0 50 CDAA Cc1nn(CCNC(=O)c2ccncc2)c(C)c1C 74799903 GDDVBYAABBIEDA-UHFFFAOYSA-N 258.325 1.633 0 50 CDAA COC(=O)c1ccc(=O)n(CCSC(C)(C)C)n1 253392551 LPBIVKRGAWXWTF-UHFFFAOYSA-N 270.354 1.562 0 50 CDAA CCCc1nnc(S)n1CC(=O)NC[C@@]1(C)CCCO1 153001293 IDCPXGBHQSCKRP-CYBMUJFWSA-N 298.412 1.205 0 50 CDAA COc1ccnc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 331857223 FJBSPCCUIZIEDL-ARFHVFGLSA-N 292.379 1.452 0 50 CDAA COCC(=O)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 372839950 PCNLINGEEWDGMP-AWEZNQCLSA-N 283.755 1.492 0 50 CDAA Cc1ccc2c(c1)OCCN2S(=O)(=O)C[C@@H]1CCCO1 172813295 LNGXTUGCBMJKJW-LBPRGKRZSA-N 297.376 1.703 0 50 CDAA CC(=O)N1CCc2c(nc(C)nc2NCCOC(C)C)C1 71760131 IPQBIEMHJFBZQR-UHFFFAOYSA-N 292.383 1.527 0 50 CDAA C[C@@H](C(=O)N(C)[C@H](C)C(=O)O)N1CCc2ccccc2C1 262731600 BYTABPFXLYHGOM-NWDGAFQWSA-N 290.363 1.365 0 50 CDAA COc1cnc(NC(=O)N[C@H]2CCO[C@H]2C2CC2)nc1 333241052 ZTFPPHGZXPXLLG-QWRGUYRKSA-N 278.312 1.174 0 50 CDAA O=S1(=O)CCC(CN2CC[C@@H](O)C23CCCC3)CC1 333398191 DZLIERYRIJCBHV-CYBMUJFWSA-N 287.425 1.191 0 50 CDAA CCc1cc(NCCn2cc(C)nn2)n2nccc2n1 72419634 NSOHWDRLJLXRCC-UHFFFAOYSA-N 271.328 1.304 0 50 CDAA NC1(CNC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CCC1 333672624 NJVFLZCHYPQTFW-NSHDSACASA-N 277.372 1.180 0 50 CDAA Cc1cc(C)n(CC(=O)N[C@H](C)C2CCCC2)c(=O)n1 456777098 YUPMOOPFTUHMCI-GFCCVEGCSA-N 277.368 1.555 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@@H](C)[C@@H]2CN)no1 237506683 ZYIJMTGPRUDYCY-SKDRFNHKSA-N 251.330 1.111 0 50 CDAA Cc1nc2ccc(N3CCC(c4ccncn4)CC3)nn2n1 334124203 NXFYQARCVGKCRR-UHFFFAOYSA-N 295.350 1.607 0 50 CDAA COCOCCC[C@]1(C)[C@@H]2CCCC(=O)[C@@]21C(=O)OC 71786485 FKUFARCZQRLSES-NILFDRSVSA-N 284.352 1.936 0 50 CDAA CCO[C@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 229485274 UCSQHVDBYCNDHD-UONOGXRCSA-N 262.353 1.714 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2scnc2c1 222577198 BLJMTCILXUZQRC-ZYHUDNBSSA-N 292.360 1.830 0 50 CDAA Cc1ccc2nccc(C(=O)N[C@@H]3CCOC[C@H]3O)c2c1 223527070 CVOXNVQVMTZVMJ-HUUCEWRRSA-N 286.331 1.423 0 50 CDAA O=C1NCC[C@H]1N1CC2(CCC2)c2c(F)cccc21 336354185 SIMCYLCGUGYSMX-GFCCVEGCSA-N 260.312 1.956 0 50 CDAA O=C(N[C@@H]1CCc2ncnn2C1)c1cc2ccccn2c1 174815913 CLSFWUBDOGEXOC-GFCCVEGCSA-N 281.319 1.276 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cc(C)n[nH]2)C1 286394558 NJIGXAPWUNPDDW-STQMWFEESA-N 292.383 1.043 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)Nc2nc(C)n(C)n2)C1 48170701 SHPBLKJVMYBYPL-LLVKDONJSA-N 281.360 1.404 0 50 CDAA COc1ncccc1-c1nc(N2CCCCC2)n(C)n1 426409285 IMZFRLSZAKDYBF-UHFFFAOYSA-N 273.340 1.876 0 50 CDAA C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Cc1cnnn1C 611786383 OYNQSHDQFNIXEK-ZFWWWQNUSA-N 298.390 1.837 0 50 CDAA Cc1[nH]c(C(=O)N2CCC3(CCO3)CC2)c(C)c1C(=O)O 426652948 NVMLSMHRMKORKM-UHFFFAOYSA-N 292.335 1.725 0 50 CDAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@H](CN)C1 178530036 IBCFTXKFLAADGC-NXEZZACHSA-N 284.306 1.539 0 50 CDAA c1ccc(CCN=c2cc([C@H]3CCOC3)nc[nH]2)nc1 426376563 SYMBAMDKOWRJGM-LBPRGKRZSA-N 270.336 1.452 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cn3cccc(C)c3n2)n[nH]1 426408877 COZVVTLQMDNYSL-VIFPVBQESA-N 284.323 1.560 0 50 CDAA Cn1cncc1CSc1nnc([C@H]2CCCNC2)n1C 426387797 CZCOCPMYCLAFRZ-JTQLQIEISA-N 292.412 1.308 0 50 CDAA Cc1nc(O)c2c(n1)CN(C(=O)C[C@@H]1CCCOC1)C2 426505928 VWFOFGIJOVEGST-JTQLQIEISA-N 277.324 1.150 0 50 CDAA CCCc1nnc(N2CCC3(CC2)CC(=O)NC(=O)C3)o1 95391767 UMUKUOFXEQTPLQ-UHFFFAOYSA-N 292.339 1.045 0 50 CDAA O=C(c1ccc[nH]1)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95503348 AOIKIPWYNMHAIK-OAHLLOKOSA-N 299.374 1.334 0 50 CDAA COCCc1nc([C@@H]2COc3ccccc3O2)n(C)n1 95500222 CCHCKSUIGIEFBS-LBPRGKRZSA-N 275.308 1.517 0 50 CDAA CN(C)[C@@H](C(=O)NC1CCOCC1)c1ccccc1F 95380943 GEPITHIEJKHEKM-CQSZACIVSA-N 280.343 1.724 0 50 CDAA Cn1cc(Cl)cc1C(=O)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91754881 DSSISMNXKGRAJW-TXEJJXNPSA-N 298.770 1.026 0 50 CDAA CNc1nc(N2CCC3(CC2)OCCC[C@H]3O)ncc1F 91644763 SRYRJBZMNZNHGS-LLVKDONJSA-N 296.346 1.168 0 50 CDAA CN1C[C@@]2(CCCN(CCn3cc(Cl)cn3)C2)OC1=O 244601998 DVWFVJIPISVEQL-CYBMUJFWSA-N 298.774 1.453 0 50 CDAA CC(C)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)n(C)n1 244795472 RGZXGRJXGVNVHV-PHIMTYICSA-N 293.367 1.917 0 50 CDAA Cc1noc(C)c1CC(=O)NCCCOc1cccnc1 244748702 OMVXGADYNNOTKC-UHFFFAOYSA-N 289.335 1.814 0 50 CDAA OC[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]6[C@H]3[C@H]3[C@H]7[C@@H]6[C@@H]6[C@H]8[C@H]9[C@H]([C@H]1[C@@H]4[C@@H]9[C@H]56)[C@@H]([C@H]87)[C@@H]32 257355494 AXOZAXWLDZMMJF-GTEOYHCXSA-N 290.406 1.823 0 50 CDAA Fc1ccc(N2CC[C@H](NCCn3cncn3)C2)cc1 534668544 LLVYYZVZIJRVNP-ZDUSSCGKSA-N 275.331 1.286 0 50 CDAA CCCn1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c(C)n1 534658921 UYANAFJHZXWPSG-DGCLKSJQSA-N 290.367 1.151 0 50 CDAA CCn1cc(CN(C)S(=O)(=O)c2cccnc2)cn1 545263870 CZKURXJAXUXTGB-UHFFFAOYSA-N 280.353 1.119 0 50 CDAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(Cl)cc1 299763702 PNARCPFGTPZJKP-KBPBESRZSA-N 295.814 1.766 0 50 CDAA C[C@@]1(C(=O)NC[C@H]2CCCCS2)CCC(=O)N1 821848537 MBBUFUPVXPRFCV-SKDRFNHKSA-N 256.371 1.057 0 50 CDAA CCCC(=O)[C@@]1(NC(C)=O)Cc2ccccc2NC1=O 575419795 VLRCGOIJRCQQCB-HNNXBMFYSA-N 274.320 1.425 0 50 CDAA CC(=O)Nc1ccc(CNc2nccnc2C(N)=O)cc1 1365209052 SVXJVNDJVAMZBS-UHFFFAOYSA-N 285.307 1.146 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)Cn2ccccc2=O)n1 584887714 UXCYQCHIVLSMIH-CYBMUJFWSA-N 285.347 1.299 0 50 CDAA CCCn1cc(S(=O)(=O)NCc2ccnc(C)c2)cn1 823033013 HMWYGUVVFSUNFH-UHFFFAOYSA-N 294.380 1.475 0 50 CDAA Cc1cccc2nc(CCNC(=O)C[C@@H]3CCOC3)[nH]c12 584889956 MQRJXFHGGYAPRD-LBPRGKRZSA-N 287.363 1.957 0 50 CDAA Cc1nc(CCCNC(=O)N2CC(O)C2)sc1C 584889068 NNPFDRDPYDBUKF-UHFFFAOYSA-N 269.370 1.079 0 50 CDAA CC(C)n1cc(CN(C)C(=O)c2c[nH]c(=N)s2)cn1 584903892 NDQMYVZHZXSALW-UHFFFAOYSA-N 279.369 1.605 0 50 CDAA COc1ncc(C(=O)N2CC(C)(C)CC[C@H]2CO)cn1 1548493187 SBYMUUJGHWXEPM-NSHDSACASA-N 279.340 1.108 0 50 CDAA CC1=C(C(=O)NCCCNc2cccnc2)OCCO1 952991200 PUTHRXDGEDLNNR-UHFFFAOYSA-N 277.324 1.278 0 50 CDAA CC1(C)[C@@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@H]21 408103877 NUGWNFQGSIMRFD-GHMZBOCLSA-N 266.366 1.577 0 50 CDAA Cc1c(C(=O)NS(=O)(=O)C2(C)CC2)cnn1C(C)(C)C 408349838 MKDJNRDQJJAHOB-UHFFFAOYSA-N 299.396 1.559 0 50 CDAA COCCCN1CCC(NC(=O)c2cccnc2C)CC1 170980631 BYUQUPOZBWPRGK-UHFFFAOYSA-N 291.395 1.621 0 50 CDAA O=C(c1nc[nH]n1)N1CC[C@H](Cc2ccc(F)cc2)C1 269575780 VDKQVMZYCKDGCA-LLVKDONJSA-N 274.299 1.649 0 50 CDAA C=CC(=O)N(CC)CC(=O)NC1(c2ncc(C)[nH]2)CCC1 1471477215 ISBODOVAEMAJIE-UHFFFAOYSA-N 290.367 1.248 0 50 CDAA O=C(O)[C@H]1NCCc2cc(Br)ccc21 82048365 LOEFNPKFRHLLSR-VIFPVBQESA-N 256.099 1.721 0 50 CDAA in-vitro CN(Cc1ccon1)C[C@@H]1C[C@H](F)CN1c1ccncn1 275548845 DZUNRCRSFKERCX-AAEUAGOBSA-N 291.330 1.513 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cnn(C)c1 277056242 JBOMZRMUBXULME-CHWSQXEVSA-N 265.357 1.584 0 50 CDAA COC(=O)C(=O)CC(=O)c1ccccc1Br 100085222 VKMVKAZSQQFHRS-UHFFFAOYSA-N 285.093 1.764 0 50 CDAA in-vitro O=C(NCc1nnc(S)n1C1CC1)C1[C@@H]2CCCC[C@@H]12 170647584 LGTFZEOIGFTIBO-NXEZZACHSA-N 292.408 1.954 0 50 CDAA CCc1nc(CC(=O)NCC[C@H](C)NC)cs1 170677027 ZNFVJWKMMWERCZ-VIFPVBQESA-N 255.387 1.362 0 50 CDAA NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1C=CCCC1 188520576 MKOMZBZMXAHUGD-XQQFMLRXSA-N 264.369 1.893 0 50 CDAA CO[C@@H](C)C(=O)Nc1ccc2nnc(C(C)C)n2c1 189246313 XDHJEPFFZJYEDR-VIFPVBQESA-N 262.313 1.826 0 50 CDAA CCN(CC(N)=O)C(=O)/C(C)=C/c1ccc(C)cc1 189668962 MHSNYPVESOCFEC-FMIVXFBMSA-N 260.337 1.732 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ncc(Cl)n1C 190074853 CMLYEFQHAZOTNC-VHSXEESVSA-N 285.775 1.847 0 50 CDAA C[C@H](O)CN(C(=O)Nc1ccsc1)[C@@H](C)CO 190087528 FOQZJHVTYIJYPL-IUCAKERBSA-N 258.343 1.344 0 50 CDAA Cc1ccc(CNC(=O)Cn2cc(F)ccc2=O)cc1F 190751487 CNOBFHXMSOPYSF-UHFFFAOYSA-N 292.285 1.751 0 50 CDAA Cc1c(Cl)cccc1C(=O)N1CC[C@H](CO)[C@@H](O)C1 192659376 SJCSTYKKMZIDDX-MFKMUULPSA-N 283.755 1.464 0 50 CDAA CO[C@](C)(C(=O)O)C(=O)Nc1n[nH]c2cc(F)ccc12 663041490 JIYBRVLWYNKAMX-LBPRGKRZSA-N 281.243 1.130 0 50 CDAA CCCn1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)O)C2)cn1 576043726 XPSWPBCIEZIJSR-QMTHXVAHSA-N 279.340 1.476 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1Oc1cn[nH]c1 675050676 HGAOODPGHGHKQM-ZJUUUORDSA-N 269.301 1.081 0 50 CDAA CCc1c(NC(=O)[C@@H]2CCC(=O)N2C)cnn1CC(C)C 585083070 SNZYVEIRKFFFBK-ZDUSSCGKSA-N 292.383 1.661 0 50 CDAA Cc1coc(C(=O)N(C)[C@H](C)CN2CCOCC2)c1C 585082005 PBVGVTRCPYEALT-GFCCVEGCSA-N 280.368 1.689 0 50 CDAA Cc1cc(C(=O)N[C@H](C)c2nccn2C)ns1 585113921 YSVHXDYGKLFDPP-MRVPVSSYSA-N 250.327 1.676 0 50 CDAA CCNc1ncc(C(=O)N2CCC[C@H]2COCC)cn1 91416612 VYCXLNXCHOPHSN-LBPRGKRZSA-N 278.356 1.550 0 50 CDAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@H]1CCCN1 1506408758 PPVVNOCJDGSHNR-LLVKDONJSA-N 292.770 1.927 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)c1cncc(Cl)c1 220034799 DFIOLTNBNWWSIP-UHFFFAOYSA-N 250.689 1.730 0 50 CDAA O=C(Nc1cnn2c1NCCC2)c1ccc(Cl)cn1 1506426437 OPTYQEBMPQRFNK-UHFFFAOYSA-N 277.715 1.999 0 50 CDAA Cc1cc(-c2nc(=NCC(=O)O)cc[nH]2)ccc1F 1506398252 AAJKBNGPUWXXCA-UHFFFAOYSA-N 261.256 1.510 0 50 CDAA CCCn1ccnc1CNC(=O)[C@H](O)CCSC 222583121 XYHNCEIGRRYFCR-SNVBAGLBSA-N 271.386 1.023 0 50 CDAA C[C@@H]1CNCCN1C(=O)[C@@H]1CCOc2ccccc21 111188995 DGIVSORBBMSFHR-DGCLKSJQSA-N 260.337 1.373 0 50 CDAA Cc1ccc2nc(CNc3cc4nncn4c(N)n3)[nH]c2c1 1529185898 SCYYTDZUZROUIN-UHFFFAOYSA-N 294.322 1.503 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2COCCN2C)c(C)c1O 408051747 LOTXJPSCTNBUIG-LBPRGKRZSA-N 264.325 1.278 0 50 CDAA COC1(CNc2nccc(N(C)C)n2)CCOCC1 120593106 LNAZTFAGNPPTKE-UHFFFAOYSA-N 266.345 1.150 0 50 CDAA CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cccs1 242088020 WBDYABXTLWSCQE-LLVKDONJSA-N 288.438 1.853 0 50 CDAA CC[C@H](C)[C@H](C)NC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 245289820 FJIFGYRNCMHSLD-NNYUYHANSA-N 290.429 1.638 0 50 CDAA COCCNCCNC(=O)c1ccc(Cl)c(C)c1 135630904 NOWYVCNJEWHDHS-UHFFFAOYSA-N 270.760 1.614 0 50 CDAA CC(C)(C)OC(=O)N1Cc2cnc(S(C)(=O)=O)nc2C1 15022225 OWHKZXFLURWFDL-UHFFFAOYSA-N 299.352 1.131 0 50 CDAA CCCc1noc(CN2CCCC[C@H]2CCO)n1 15075059 VEECALCOEVGJLW-NSHDSACASA-N 253.346 1.759 0 50 CDAA OCCOCCNc1cncc(Br)c1 152921746 GITNOJBLFFHSJP-UHFFFAOYSA-N 261.119 1.265 0 50 CDAA Nc1cncc(N2CCC(Oc3cccnc3)CC2)n1 1857677452 CGKSQJQNLKHLBY-UHFFFAOYSA-N 271.324 1.502 0 50 CDAA C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCOC2(CCCCC2)C1 408521702 IIVVUWSDHUTBPW-QWRGUYRKSA-N 282.340 1.045 0 50 CDAA CN(CC1CCCCC1)C(=O)[C@H]1CCc2nnn(C)c2C1 335163030 UTTTXVNRNHQPBD-ZDUSSCGKSA-N 290.411 1.959 0 50 CDAA Cc1nn(C)cc1[C@H](C)NC(=O)c1conc1C(C)(C)N 565219009 UBLYCHSJGGMVHG-QMMMGPOBSA-N 291.355 1.401 0 50 CDAA COc1ncc(Cl)c(N2CCC[C@H](CC(N)=O)CC2)n1 671439801 XOAIKPZGMDZHTK-VIFPVBQESA-N 298.774 1.621 0 50 CDAA O=C(O)[C@@H](c1ccccc1)N1CCN(c2cnccn2)CC1 565778089 BTZYIFYXMMUREO-OAHLLOKOSA-N 298.346 1.425 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc(C)cc1 353214336 CRUIEVUEGPLDGY-GJZGRUSLSA-N 277.364 1.848 0 50 CDAA CCN1CCN(C(=O)C[C@@H](O)C(C)C)C[C@H]1c1ncc[nH]1 583623241 ZPAFACJXFFBVCX-QWHCGFSZSA-N 294.399 1.022 0 50 CDAA Cc1cc(C)cc(C[C@@H](C)NC(=O)CN2CCOC2=O)c1 585129429 JCIJHZJYRMLOGD-CYBMUJFWSA-N 290.363 1.803 0 50 CDAA C=CC(=O)N(CC)CC(=O)NC[C@H](C)c1c(C)noc1C 901181536 SSRBFZXVNWWVAE-JTQLQIEISA-N 293.367 1.546 0 50 CDAA Cc1nc(CN2CC[C@](F)(CO)C2)nc2ccccc12 802013330 ABBKINJFIKKBTJ-OAHLLOKOSA-N 275.327 1.845 0 50 CDAA CC(C)(O)CC(=O)N1CCOc2ccccc2[C@@H]1C(=O)O 911057312 NVRVTAGABJLWBF-CYBMUJFWSA-N 293.319 1.194 0 50 CDAA CC(C)OCC(=O)N1CCOc2ccccc2[C@H]1C(=O)O 911050744 FKIWVIFUIOSNOO-AWEZNQCLSA-N 293.319 1.458 0 50 CDAA Cc1nccc(NC(=O)NCc2cnn(CCF)c2)n1 930839963 RMYCNVWSGXAEJO-UHFFFAOYSA-N 278.291 1.273 0 50 CDAA CCNCCNC(=O)c1cc(-c2ccccc2)on1 236987898 ISVWRPOSKWITON-UHFFFAOYSA-N 259.309 1.681 0 50 CDAA Cc1ccc(C(=O)OCCN2CCC=N2)c(F)c1 952832967 VYKNDMHLYLKQBF-UHFFFAOYSA-N 250.273 1.982 0 50 CDAA C[C@H](ONC(=O)CC1OCCCO1)c1ccncc1 1875298207 RIKBIDAFIZFQJS-JTQLQIEISA-N 266.297 1.344 0 50 CDAA CCN(CC)C(=O)[C@H](C)N1CCC(Cc2cc[nH]n2)CC1 1875275030 QLQFQKXGYFXMBV-ZDUSSCGKSA-N 292.427 1.921 0 50 CDAA CC1=NO[C@@](C)(CNC(=O)[C@H]2OCCc3ccccc32)C1 1875300933 WIQSEJHQAJIERA-GOEBONIOSA-N 288.347 1.972 0 50 CDAA C[C@@H]1COCC[C@@H]1C(=O)N=c1[nH]oc2c1CCCCC2 1875302994 QIFNBEAPDIUYJZ-MNOVXSKESA-N 278.352 1.977 0 50 CDAA CC1(C)CN(C(=O)/C=C/CN2CCCC2)CCO1 1875338131 OHJLEENIXKJCCI-AATRIKPKSA-N 252.358 1.276 0 50 CDAA CCOCCOC(=O)c1cc(-c2ccccc2O)[nH]n1 888097712 ZMNBNVDMDHUASK-UHFFFAOYSA-N 276.292 1.976 0 50 CDAA N[C@@]12CCC[C@@H]1CN(C(=O)c1n[nH]cc1C(F)(F)F)C2 1775961068 GPUUGKPYEBADAX-RDDDGLTNSA-N 288.273 1.382 0 50 CDAA CN1C[C@H]2CN(c3cccc(-n4ccnc4)n3)C[C@H]2C1 1776002518 PRPOGMYJYITUDA-BETUJISGSA-N 269.352 1.265 0 50 CDAA C[C@@H](O)C[C@@H](C)NC(=O)c1ccc2nc(Cl)nn2c1 1776005272 CIEABYOIJRQZLE-HTQZYQBOSA-N 282.731 1.272 0 50 CDAA C=CC(=O)N1CCC(c2nc(C(=O)O)co2)CC1 1776004690 OIHGOHSHKSQRHP-UHFFFAOYSA-N 250.254 1.265 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1c1cccn1C 900031692 DFXMHTHSMNUDRC-AWEZNQCLSA-N 289.379 1.723 0 50 CDAA Cc1cccc(OCC(=O)NC2(C(=O)O)CCCC2)c1 36969390 GMXRKMXLCDYOFE-UHFFFAOYSA-N 277.320 1.887 0 50 CDAA COc1ccc(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1 268927554 WUKRTTRGFJJVIM-OLZOCXBDSA-N 277.320 1.465 0 50 CDAA CCOC(=O)[C@H]1CCCCN1S(=O)(=O)C1(C)CC1 408222407 AIQNJLKXEFJDMI-SNVBAGLBSA-N 275.370 1.286 0 50 CDAA COC1CCC(NC[C@H]2CCc3nccn3C2)CC1 328629594 IJWRHBGZZJKZAQ-IYXRBSQSSA-N 263.385 1.993 0 50 CDAA Cc1cc(C(=O)N(C2CC2)[C@H](C)C(=O)O)oc1C 561736829 ZLYUYGFUKCZSIG-MRVPVSSYSA-N 251.282 1.974 0 50 CDAA CCC[C@@H](CC(=O)O)NC(=O)N(C)Cc1nccs1 388901511 SMWVOAKQGIQGSA-VIFPVBQESA-N 285.369 1.928 0 50 CDAA CNc1ccccc1CN1CCC[C@@H](S(C)(=O)=O)C1 1232673239 WBWYQAOMIWNYEA-CYBMUJFWSA-N 282.409 1.737 0 50 CDAA c1cnc2nc(N3CC[C@H](c4nc[nH]n4)C3)ncc2c1 2325761509 IAZVECOISRVABN-JTQLQIEISA-N 267.296 1.137 0 50 CDAA C/C=C/C[C@@H](C)C(=O)N1CC[C@H](c2nc(=O)o[nH]2)C1 2325821842 FQQBOZUKSUQGSJ-OKWQPMOJSA-N 265.313 1.281 0 50 CDAA C[C@@]1(C2CC2)COCCN1S(=O)(=O)c1ccoc1 908250492 SPTWGAGLDBFOOZ-LBPRGKRZSA-N 271.338 1.469 0 50 CDAA COCCNc1cc(C(=O)NC[C@@H]2CCCO2)ccn1 244420182 YTCJSGCNEZPEKH-LBPRGKRZSA-N 279.340 1.049 0 50 CDAA Cc1nnc(NC(=O)COC(=O)c2ccco2)s1 34702 MELLKKZVDZWRFW-UHFFFAOYSA-N 267.266 1.235 0 50 CDAA CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NN=NC2=N1 71509 IXAIDHXZAWDPNE-SNVBAGLBSA-N 290.714 1.697 0 50 CDAA CC(=O)Nc1c(Cl)cnn(-c2ccccc2)c1=O 245932 JCCDBBJZECACTH-UHFFFAOYSA-N 263.684 1.844 0 50 CDAA CCC1=NN(C(=O)c2cccnc2)[C@](O)(c2ccncc2)C1 302325 NUJILRVRKUMSAV-MRXNPFEDSA-N 296.330 1.934 0 50 CDAA O=C(Cc1ccc(Br)cc1)N1CCOCC1 444302 SBYPWFXETHVEOJ-UHFFFAOYSA-N 284.153 1.850 0 50 CDAA in-vitro O=C(COc1ccccc1)NC(=S)Nc1cccnc1 456933 BIRAXQXUGNXVQZ-UHFFFAOYSA-N 287.344 1.974 0 50 CDAA COC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 815513 HDOHFOFVXIDCQK-STQMWFEESA-N 290.363 1.499 0 50 CDAA O=c1nc(SCCc2ccccc2)c2[nH]cnc2[nH]1 2360018 HVWMEVGIBHEXJR-UHFFFAOYSA-N 272.333 1.981 0 50 CDAA OC[C@H]1C[C@@H]2CC[C@H](C1)N2c1nnnn1-c1ccccc1 2356149458 AZYOMVGHYVSYBG-DEZZGGKRSA-N 285.351 1.402 0 50 CDAA O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1 2510358 CXOFVDLJLONNDW-UHFFFAOYSA-N 252.273 1.770 0 50 CDAA fda COc1ccc(CCNC(=O)CCCC(=O)O)cc1OC 2573408 IJVGZJBNIWUEPJ-UHFFFAOYSA-N 295.335 1.617 0 50 CDAA biogenic COC(=O)c1ccc(NC(=O)C(=O)N2CCCC2)cc1 2999960 LQBXSWIVZGRLGB-UHFFFAOYSA-N 276.292 1.034 0 50 CDAA aggregator CN(C)C(=N)c1n[nH]nc1SCc1ccccc1 4116080 HPQBNEWIILZGOM-UHFFFAOYSA-N 261.354 1.984 0 50 CDAA O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 4952679 HGEZSIBCDBJVEL-SNVBAGLBSA-N 274.725 1.684 0 50 CDAA CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCC[C@H](C)[C@@H]1C 225349604 VFHVHFHRDSQHTJ-XWLWVQCSSA-N 255.362 1.245 0 50 CDAA CSCC[C@H](NC(=O)Cc1cccs1)C(=O)O 22174435 ONIHSHMDBGLMBW-VIFPVBQESA-N 273.379 1.613 0 50 CDAA COc1ccc([C@H]2CC(=O)NC2=O)cc1Br 100508475 HQWMGWYEBPDPFN-SSDOTTSWSA-N 284.109 1.588 0 50 CDAA COC(=O)NCC(=O)N1CCC[C@@H]1c1cccc(OC)c1 55099645 JQHBYACFRXQMNU-CYBMUJFWSA-N 292.335 1.715 0 50 CDAA Cc1cnc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cn1 250875628 OYMXVKPPEWFHIB-RTXFEEFZSA-N 289.335 1.643 0 50 CDAA NC[C@H]1Cc2cccc(-c3n[nH]c(=O)c4ccccc34)c2O1 67542297 JQHFYEDOIHQOCF-LLVKDONJSA-N 293.326 1.852 0 50 CDAA Cc1nc(CCN)cc(N(C)Cc2nncn2C(C)C)n1 67540182 NBNUREKCINROSQ-UHFFFAOYSA-N 289.387 1.095 0 50 CDAA COc1ccc(O)cc1CN1CCC2(CCNCC2)C1 67818095 SNBIFVGGAPEQTA-UHFFFAOYSA-N 276.380 1.976 0 50 CDAA COc1ncc(Cl)c(NC[C@@H](CO)[C@H]2CCOC2)n1 281010945 OVYHEQFKECNSQR-IUCAKERBSA-N 287.747 1.196 0 50 CDAA C[C@@H](NC(=O)c1ccn2ccnc2c1)c1nnnn1C1CC1 252510912 ZRGFJOBCLJFSGW-SECBINFHSA-N 297.322 1.147 0 50 CDAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cccc(N)n1 215911816 AJOOUGZTVACXKY-LBPRGKRZSA-N 283.331 1.740 0 50 CDAA CN(CCOCC1CC1)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 229869138 RTQRPPDXLYBYRV-CABCVRRESA-N 295.427 1.681 0 50 CDAA CC(C)N1CCN(CCCN2CC[C@H]2C2CC2)CC1 328600309 WRYCWLUXAAHHDV-INIZCTEOSA-N 265.445 1.887 0 50 CDAA Cc1n[nH]cc1CN(C)C[C@@H]1CCc2nccn2C1 328636470 OANGIRJJIDAYNL-LBPRGKRZSA-N 259.357 1.609 0 50 CDAA CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCc2nccn2C1 328624736 KCUBDQCSGSNBFC-RYUDHWBXSA-N 265.357 1.329 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 363190723 ZPPPHSQSPHXEKN-JHJVBQTASA-N 279.340 1.426 0 50 CDAA Cn1ccnc1SCCNC(=O)CCc1cccnc1 216412727 QPEZHJBXVXUKNV-UHFFFAOYSA-N 290.392 1.656 0 50 CDAA O=C(N[C@H]([C@H]1CCCO1)C1(CO)CCC1)OCC1CC1 368256536 ARYIRXAPBPSHBO-CHWSQXEVSA-N 283.368 1.833 0 50 CDAA O=C(O)C(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 368401871 GZMXGLVEDTXQLQ-VIFPVBQESA-N 298.289 1.130 0 50 CDAA O=C(N[C@@H]1CC=CCC1)N1C[C@H]2[C@H](O)CC[C@H]2C1 332859474 JUWIZMJKVASUPZ-UMSGYPCISA-N 250.342 1.507 0 50 CDAA Cn1nnc2c(C(=O)N3CCC=C(F)C3)ccnc21 283338528 XBHGSMWJWNFTDY-UHFFFAOYSA-N 261.260 1.063 0 50 CDAA CS(=O)(=O)C1(C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)CC1 333038381 DQVPZMFXJYXJQH-WUHRBBMRSA-N 295.404 1.234 0 50 CDAA CN1C[C@@]2(CCCN(CCc3ccccn3)C2)OC1=O 72125610 DRVIKEKMASYGFU-OAHLLOKOSA-N 275.352 1.541 0 50 CDAA CCc1ncc(C(=O)N2CC[C@](C)(C(=O)O)C2)s1 237067345 LUNMXIJAHSUWOB-LBPRGKRZSA-N 268.338 1.642 0 50 CDAA COc1cccc(OCC(=O)N2CC[C@@H](N)C[C@@H]2C)c1 237277568 LCBFSBVOTPYUIY-NWDGAFQWSA-N 278.352 1.412 0 50 CDAA O=C1CC[C@]2(CCCO2)CCN1CCCn1cccn1 72165612 UOQVASBQHPTRPR-OAHLLOKOSA-N 277.368 1.835 0 50 CDAA C[C@@H](C(=O)O)N1CCCN(C(=O)c2ccccc2F)CC1 237484470 FPXYSLOKABZDSK-NSHDSACASA-N 294.326 1.447 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)CCOCC 219586284 QYUBMWCZULRUNT-JTQLQIEISA-N 254.334 1.292 0 50 CDAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1cncs1 219096218 WILDPNJLGPCTCF-GWNIPJSYSA-N 293.392 1.125 0 50 CDAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)Cc1cccnc1 219140157 NEHVBPKBKVAELP-UHFFFAOYSA-N 270.336 1.883 0 50 CDAA Cc1nn2c(O)nncc2c1-c1cc(N)nc2[nH]ccc12 77504441 KOZRFPWABRLBKU-UHFFFAOYSA-N 281.279 1.264 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)CCc1cccc(F)c1F 238064017 DQOYHUMCDCUYTF-NSHDSACASA-N 283.274 1.973 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 238175313 YDQXDBIWHPSAON-DTWKUNHWSA-N 269.247 1.659 0 50 CDAA CCC(=O)C(=O)N1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 71764915 GYMVFFPSHNIDOH-ZDUSSCGKSA-N 294.395 1.461 0 50 CDAA CC[C@H](NC(=O)c1sc(CC2CC2)nc1C)C(=O)NC 457043364 IGTZUJVIEPPHOY-JTQLQIEISA-N 295.408 1.658 0 50 CDAA CCN1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 46465777 DBDLWUIKVKEAEB-CYBMUJFWSA-N 262.353 1.618 0 50 CDAA C[C@@H]1COc2ccccc2CN1C(=O)Cc1cncnc1 290777793 RWNXWZXUQBTKFU-GFCCVEGCSA-N 283.331 1.829 0 50 CDAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](CN)C1 178559773 ZRDYPROLBUODCQ-AWEZNQCLSA-N 292.427 1.506 0 50 CDAA CNc1ncccc1C(=O)N1CCCC[C@@H]1CCC(=O)O 426597245 OWONFDMVWZGEHQ-LLVKDONJSA-N 291.351 1.983 0 50 CDAA CC[C@H](C)[C@@H](NC(=O)c1cccc(F)n1)C(=O)O 131010914 VBOIPLUGDOTXAH-OIBJUYFYSA-N 254.261 1.450 0 50 CDAA Cc1c(F)cccc1S(=O)(=O)NCC[C@@H](C)N 178909746 AWGKXEYXQSZONK-MRVPVSSYSA-N 260.334 1.150 0 50 CDAA CCOC(=O)CNC(=O)C1CCN([C@H]2C=CCCC2)CC1 179105776 VZBNIBMVGLSZSH-AWEZNQCLSA-N 294.395 1.486 0 50 CDAA CC1(C)CN(C(=O)CCCN2CCCC2=O)CC[C@]1(C)O 91713062 NZFZHUAFFFJCHH-INIZCTEOSA-N 296.411 1.399 0 50 CDAA COC[C@@H]1CCCN1C(=O)Cn1c(C)nc2ccccc21 426513596 HKBCFEXHYCXKLD-ZDUSSCGKSA-N 287.363 1.982 0 50 CDAA CCCCS(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 230066951 OFMAROIIOAQBDK-NEPJUHHUSA-N 261.387 1.760 0 50 CDAA CCCCCOC1CN(C(=O)N=c2[nH]nc(C)s2)C1 331774537 MJVHJCSAXDXIAT-UHFFFAOYSA-N 284.385 1.691 0 50 CDAA COc1ncc(C(=O)N(C)CCC[C@@H]2CCCO2)cn1 426526882 NXBNPFHZSXEPPR-GFCCVEGCSA-N 279.340 1.516 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](CC(=O)O)[C@@H](CC(=O)O)C1 96028525 RIGIUTCJAUSCIB-DTORHVGOSA-N 287.312 1.419 0 50 CDAA Cc1ccc(N2O[C@@H]3C(=O)NC(=O)[C@H]3[C@@H]2c2ccco2)cc1 238950485 YJNDLSHOHGODFM-IHRRRGAJSA-N 298.298 1.722 0 50 CDAA CS(=O)(=O)c1ccc(-c2nc([C@@H]3CCOC3)no2)cc1 96140395 MCJFLIIXOBYSPH-SNVBAGLBSA-N 294.332 1.644 0 50 CDAA COc1cccc2c1OC[C@@H](Cc1nccc(N)n1)C2 95377120 OQXDILAUVLTIBW-SNVBAGLBSA-N 271.320 1.861 0 50 CDAA CCC[C@]1(CO)CCCN(CCCn2nnnc2C)C1 91656355 BROVNWILRZVPMK-AWEZNQCLSA-N 281.404 1.246 0 50 CDAA CN(C)c1ncccc1-c1nc([C@@H]2CCOC2)no1 96153515 CZRORPSSBBQNIP-SECBINFHSA-N 260.297 1.702 0 50 CDAA COCc1cc(NCc2cccc(-c3nnn[nH]3)c2)ncn1 95366208 UOBCGIWBZUMWBX-UHFFFAOYSA-N 297.322 1.415 0 50 CDAA CC(C)c1nccc(C(=O)N2CCOC(C)(C)C2)n1 244796018 RRLKVSVDWYQDBP-UHFFFAOYSA-N 263.341 1.851 0 50 CDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCO1 249301559 DQJMURWCZVAVAJ-QNWHQSFQSA-N 281.352 1.498 0 50 CDAA CN(C)C(=O)[C@H]1CCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 248670979 STXLPEKZRUMZQA-XDQVBPFNSA-N 278.396 1.892 0 50 CDAA CC[C@H](C)[C@@H](C(=O)Nc1ncc(C)s1)n1cnnn1 604419418 MWIRRGJHJRQQDI-CBAPKCEASA-N 280.357 1.664 0 50 CDAA Cc1cc(=NC[C@H]2COCCN2C)c2ccccc2[nH]1 624618976 QTKOJDQEQXJDAY-ZDUSSCGKSA-N 271.364 1.708 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2ccncc2F)[C@H]2CCO[C@H]21 1074567814 AKLKOXLULOHVKT-RSLMWUCJSA-N 280.299 1.000 0 50 CDAA O=C(NCc1cccnc1O)NC[C@@H](C(=O)O)C1CCC1 626773492 PXHSKNWNTZFYOE-LLVKDONJSA-N 293.323 1.087 0 50 CDAA CC[C@@H](C)[C@H](CO)NC(=O)c1[nH]nc2c1CCCCC2 252503147 UZMZSUZCRGUKAU-MFKMUULPSA-N 279.384 1.815 0 50 CDAA CC[C@@H](NC(=O)c1cn2ccccc2n1)c1ncnn1C 534667853 PTGSNSKNUPZLRD-SNVBAGLBSA-N 284.323 1.344 0 50 CDAA CC(C)(C)N1C[C@@H](C(=O)NCC(F)(F)F)CC1=O 352960218 DJSWHPIYNSZYCY-ZETCQYMHSA-N 266.263 1.312 0 50 CDAA Cc1cnn(CCC(=O)NC[C@H](C)n2cc(C)cn2)c1 534676212 HRNMUQMZEANHKO-ZDUSSCGKSA-N 275.356 1.464 0 50 CDAA O=C(c1ccc(-c2cc(CO)ccn2)cc1)N1CC(O)C1 534634143 LUQPZLJVGWUKAU-UHFFFAOYSA-N 284.315 1.058 0 50 CDAA CO[C@H]1CNC[C@@H]1Nc1cc(C)nc(-c2cccnc2)n1 534661276 GOITXORNENPBJR-STQMWFEESA-N 285.351 1.246 0 50 CDAA O=C(NC1(c2ccccc2)CCOCC1)[C@H]1CCOC1 534664263 FKZXOUMJLOSSHH-ZDUSSCGKSA-N 275.348 1.845 0 50 CDAA O=C(CCOc1ccccc1)NC1CCS(=O)(=O)CC1 471805035 QCVPYPGKVSGEJB-UHFFFAOYSA-N 297.376 1.149 0 50 CDAA Cc1nc([C@H]2CCOC2)cc(N(CC(=O)O)CC(C)C)n1 299788797 VPQKATJLHIOACW-LBPRGKRZSA-N 293.367 1.836 0 50 CDAA COc1ccccc1CC(=O)N1CC[C@H]2NCCC[C@@H]2C1 299794439 KFPGFWGFSNCRNC-HUUCEWRRSA-N 288.391 1.838 0 50 CDAA COC(=O)c1cc(CN)cc(NC(=O)c2ccco2)c1 299793136 KLXXOMJIPXESIR-UHFFFAOYSA-N 274.276 1.777 0 50 CDAA COCC1(CNC(=O)[C@H](C)N2CCCCC2)CCC1 824347217 SGLOSJNWDKVJNP-ZDUSSCGKSA-N 268.401 1.794 0 50 CDAA CC1=NO[C@](C)(C(=O)NCc2cccc(CO)c2)C1 828827580 HTSCRCFSTHBGMQ-AWEZNQCLSA-N 262.309 1.350 0 50 CDAA CCc1nc(-c2ccc(CN3CCCC3)o2)n(CCO)n1 828778338 IDQZAKLOUJVGHO-UHFFFAOYSA-N 290.367 1.689 0 50 CDAA COC(=O)N1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 905993111 MNCSDPSECHZRLA-MNOVXSKESA-N 267.256 1.692 0 50 CDAA CCn1cnnc1[C@@H](C)NC(=O)c1cccc2ccnn12 584890417 VXASIFWTZZXJEL-SNVBAGLBSA-N 284.323 1.437 0 50 CDAA CC(=O)NCCCC(=O)N(C)CCN(C)C1CCCC1 584885925 KRZWLUUWAXINMR-UHFFFAOYSA-N 283.416 1.236 0 50 CDAA Cc1cccc(Cn2cnc3c(cnc(=O)n3C)c2=O)c1C 584901879 CABCRLCKXDXHFK-UHFFFAOYSA-N 296.330 1.155 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)CCCn1cccn1 670462498 VFOUKEMHRMBKLP-GFCCVEGCSA-N 290.371 1.713 0 50 CDAA CCCc1cnc(N2CCC[C@@](CO)(CN(C)C)C2)nc1 670442966 DNYNZCSOCQJRMX-MRXNPFEDSA-N 292.427 1.570 0 50 CDAA CCN1CC[C@@H](NC(=O)CCC(=O)N2CCCCCC2)C1 670467816 GTOWJZISZIVWCC-CQSZACIVSA-N 295.427 1.380 0 50 CDAA CC(F)(F)CN1CCN(C(=O)Cc2ccco2)CC1 1363007332 YKENWGOGABRGRO-UHFFFAOYSA-N 272.295 1.622 0 50 CDAA O=C(CCc1cccnc1)Nc1c[nH]nc1[C@@H]1CCNC1 1549731272 NOEJBBMORXCIIW-GFCCVEGCSA-N 285.351 1.453 0 50 CDAA O[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)C[C@H]1F 952975182 HSLCBYLBUDFAPI-CHWSQXEVSA-N 261.300 1.591 0 50 CDAA CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C(N)=O)cc2)C1 408520384 BMGYMKTYOFYXTB-CQSZACIVSA-N 289.379 1.340 0 50 CDAA C[C@@H](Cn1ccnc1)NCc1cc2ccccc2n(C)c1=O 1473928676 ZMTXOASXGANSCE-ZDUSSCGKSA-N 296.374 1.913 0 50 CDAA CC1(C)[C@H](NC(=O)c2cccc(C(=O)O)c2)[C@@H]2CCO[C@H]21 270489886 KBQNHONXSKNBHB-YNEHKIRRSA-N 289.331 1.928 0 50 CDAA CC(C)N(CC(F)F)C(=O)c1cccn2c(=O)[nH]nc12 272742972 MKWBKHJPVVHFNF-UHFFFAOYSA-N 284.266 1.138 0 50 CDAA C[C@@H](NC(=O)Nc1nc2ccccn2n1)C1CCOCC1 170595249 HSBAZVCBPYOFLZ-SNVBAGLBSA-N 289.339 1.666 0 50 CDAA CCCCN(CC(N)=O)C(=O)c1nccc(Cl)c1F 170602040 BVXFACUFEXENIQ-UHFFFAOYSA-N 287.722 1.602 0 50 CDAA Cn1c(=O)oc2c(C(=O)N3CCCCO3)cccc21 170603950 IFWOHFBFCZEPSO-UHFFFAOYSA-N 262.265 1.299 0 50 CDAA CN(Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccco2)C1 276105228 WUCKXKDWKWLUEQ-GFCCVEGCSA-N 286.335 1.416 0 50 CDAA CC1(C)CNCCN1C(=O)c1cccc(C(=O)O)c1 585090289 GJSUHISBIGJVPM-UHFFFAOYSA-N 262.309 1.209 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C(=O)O)C1 702259547 WDQSYTUCVSZEKJ-VIFPVBQESA-N 296.327 1.548 0 50 CDAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN[C@H](C)C3)cn2)n1 188427936 OFYWIVFLDFROQK-GFCCVEGCSA-N 299.378 1.318 0 50 CDAA CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)N(C)C(C)C 190669662 XSIBIFLKIAMXFD-WDEREUQCSA-N 287.429 1.736 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)c2ccc[nH]2)C1(C)C 191691493 VLWSTJAOHCPDPU-RISCZKNCSA-N 266.341 1.311 0 50 CDAA O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cn[nH]c1 194752993 LSTNZWMAXCFYEY-CQSZACIVSA-N 284.363 1.662 0 50 CDAA CCn1ccc(CC(=O)Nc2cc(C(=O)O)cs2)n1 652067293 SHZRLFNUYMJVMW-UHFFFAOYSA-N 279.321 1.844 0 50 CDAA Cc1ccc(CC(=O)N[C@](C)(C(N)=O)c2ccccc2)cn1 195193198 VAYWXHADHBASAF-KRWDZBQOSA-N 297.358 1.449 0 50 CDAA O=C(NCc1noc(C2CC2)n1)C1Cc2ccccc2C1 566892538 WYMGEMWHTUYDLT-UHFFFAOYSA-N 283.331 1.978 0 50 CDAA CCOc1cc(N2CC[C@](C)(C(=O)NC)C2)nc(C)n1 663866245 KBCONOYUPYXJAL-AWEZNQCLSA-N 278.356 1.146 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C=O)C1 675050210 KYLXASBAYRZTNJ-JTQLQIEISA-N 280.328 1.663 0 50 CDAA O=C1[C@H]2CCCCN2C(=O)CN1Cc1ccccc1 94431132 BTBBEMYCMHMZRU-CYBMUJFWSA-N 258.321 1.410 0 50 CDAA O=C(CC1CCC1)NC[C@]12CNC[C@@]1(C(F)(F)F)C2 1615545301 FRMQWUVMYPBNAA-RYUDHWBXSA-N 276.302 1.835 0 50 CDAA Cn1cc(-c2cccc(C(=O)N3C[C@@H](O)C4(CC4)C3)c2)cn1 1649764838 VCMCBOQVCBHENH-OAHLLOKOSA-N 297.358 1.684 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@H](c1cccnc1)N1CCCC1 1529179313 AEJGOGIZOPTGMT-HNNXBMFYSA-N 299.378 1.899 0 50 CDAA O=C(CCO)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529151182 HQDFHNLUXHFECS-LSDHHAIUSA-N 275.348 1.748 0 50 CDAA CC[C@H](CNc1ccnc(C)n1)N1CCN(C)CC1 1529172442 HRSGPOBBYDVXFC-CYBMUJFWSA-N 263.389 1.223 0 50 CDAA CO[C@H](CNC(=O)c1cc2c(s1)CCCCC2)C(=O)O 227266109 NPCRGFKMKLMVOW-SNVBAGLBSA-N 297.376 1.846 0 50 CDAA C[C@@H]1CNCCN1C(=O)CC[C@H](N)c1ccccc1 125137115 NWTYNZZNBMUWLZ-OCCSQVGLSA-N 261.369 1.287 0 50 CDAA CCc1ncc(C(=O)N2CCC[C@H](C(=O)O)C2)s1 133059499 OMUMVWJUTRQYHL-QMMMGPOBSA-N 268.338 1.642 0 50 CDAA COC(=O)[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)O 249127637 UIWXCHJXSIYADN-ZYUZMQFOSA-N 283.290 1.620 0 50 CDAA Cc1ccc(CN2CCC(O)(CO)CC2)cc1Cl 668548241 HNMPQQNVASLIIY-UHFFFAOYSA-N 269.772 1.968 0 50 CDAA CC(C)OCCCNC(=O)c1cnc2sccn2c1=O 12382728 WCYFMVUSNXWFEV-UHFFFAOYSA-N 295.364 1.301 0 50 CDAA C[C@@H]1CN(C[C@H](O)COC2CCCC2)C[C@@H](C)O1 12419916 VKESFLWTZYJZIP-UPJWGTAASA-N 257.374 1.416 0 50 CDAA Nc1nc(-c2cccc(F)c2)c(Br)c(=O)[nH]1 13907126 LOQWIXAMWLMCQY-UHFFFAOYSA-N 284.088 1.921 0 50 CDAA COc1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1 16183515 AXXHEAKSBRZTQL-UHFFFAOYSA-N 297.380 1.320 0 50 CDAA CCN1CCC(NC(=O)COc2ccc(F)cc2)CC1 16604715 KNABTSGNZCERCC-UHFFFAOYSA-N 280.343 1.805 0 50 CDAA CC1(C)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21 18122723 JAPPJOAYYDAARD-UHFFFAOYSA-N 256.309 1.556 0 50 CDAA COCCCNC(=O)c1ccc(CN2CCOCC2)cc1 19593312 NDXOFEYDVRUJRL-UHFFFAOYSA-N 292.379 1.285 0 50 CDAA Cc1ccc(CC(=O)NCCCN2CCOCC2)cc1 19913493 DBMGYEUYYIUPRA-UHFFFAOYSA-N 276.380 1.376 0 50 CDAA Cc1csc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)n1 169366282 WJRPHTSFHUPAIQ-BGZDPUMWSA-N 280.305 1.044 0 50 CDAA O=C(O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 169619527 UDUGSHGYQZDWDK-BIAAXOCRSA-N 291.328 1.115 0 50 CDAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CC1(CN)CC1 566912841 LXHKLMXLUCCWCD-LBPRGKRZSA-N 276.384 1.819 0 50 CDAA O=C(Nc1ccon1)N[C@@H](CO)Cc1ccccc1 121031654 BNKIZXDULUNHSB-LLVKDONJSA-N 261.281 1.400 0 50 CDAA Cc1oc(C(C)C)nc1C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 329124225 XMNOEONEAJQAIM-SRVKXCTJSA-N 278.352 1.949 0 50 CDAA CC[C@H]1C[C@@H](CC(=O)N2C[C@H](OC)C[C@H]2CO)CCO1 330542175 IKUZLLKNCDSRTF-XDQVBPFNSA-N 285.384 1.190 0 50 CDAA COC[C@H]1CN(Cc2ccc(C(N)=O)cc2)CC(C)(C)O1 330519996 HHRPVHCGHJNVHG-CQSZACIVSA-N 292.379 1.411 0 50 CDAA CNC(=O)c1ccc(C(=O)N2CCC(C)(OC)CC2)cn1 330696927 DVVMIFUCJJSGNM-UHFFFAOYSA-N 291.351 1.082 0 50 CDAA CN(C)c1ncc(NC(=O)CCOC2CCOCC2)cn1 124982893 KLIFTNFJYHFZCM-UHFFFAOYSA-N 294.355 1.067 0 50 CDAA O=C1CCCCN1[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 370993700 RBQRYALXCNKSPH-GFCCVEGCSA-N 299.378 1.939 0 50 CDAA Cc1ncc(C(=O)N(C)c2cnn(C)c2)c(C(C)C)n1 266051165 SJFQUUMOZBWDQY-UHFFFAOYSA-N 273.340 1.919 0 50 CDAA CC(C)CNS(=O)(=O)c1ccc2c(c1)OCCO2 5102571 DLFGWSRJLVRSDQ-UHFFFAOYSA-N 271.338 1.392 0 50 CDAA O=C(c1ccc2cc[nH]c2c1)N1CC2(C1)CS(=O)(=O)C2 910692853 OSYAVWSGIBAGIA-UHFFFAOYSA-N 290.344 1.039 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)Nc1ccn(C)n1 912124892 WBYBRVIJIMKXND-HNNXBMFYSA-N 286.335 1.168 0 50 CDAA C=CC(=O)NCCC(=O)N1CC=C(c2ccc(C)nc2)CC1 1295665247 VAUSRBGLOFKPFS-UHFFFAOYSA-N 299.374 1.698 0 50 CDAA C[C@]1(C(=O)NCc2cncnc2)Cc2ccccc2C(=O)O1 1875299881 ZAZPOGLPATVSGO-MRXNPFEDSA-N 297.314 1.265 0 50 CDAA CSCCCS(=O)(=O)NC(=O)C1CC(C2CC2)C1 1875320103 GVJWSTOUKNUSIN-UHFFFAOYSA-N 291.438 1.622 0 50 CDAA Cc1[nH]nc(C(=O)NCC[C@H]2CCC3(CCC3)O2)c1O 886058523 LCFQGWARNDEJSL-SNVBAGLBSA-N 279.340 1.645 0 50 CDAA CN(CCCC(=O)O)C(=O)[C@@H]1CC12CCOCC2 237271146 SOFCHKIUOYCJSD-JTQLQIEISA-N 255.314 1.126 0 50 CDAA CCc1ccoc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 888094270 DHIOZVIDPSMUAZ-LBPRGKRZSA-N 295.335 1.699 0 50 CDAA Cc1cc(N2CC[C@H](CCN(C)C)C2)n2nc(C)nc2n1 895324933 MESLRETXFGMHNW-ZDUSSCGKSA-N 288.399 1.519 0 50 CDAA O=S(=O)(c1ccccc1O)N1CC[C@@H](c2ccon2)C1 1775989611 QSCKZYCLJGNDHJ-SNVBAGLBSA-N 294.332 1.558 0 50 CDAA O=C(O)[C@@H]1COCCN1C[C@H]1CCOc2ccccc21 252829870 KSFZAPLEFOIPNS-YPMHNXCESA-N 277.320 1.338 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCCOC2)cc(O)n1 180141253 WAFYFBWMQUPUDL-JTQLQIEISA-N 250.298 1.252 0 50 CDAA OCC[C@H]1CSCCN1CCO[C@H]1CCCCO1 408514854 MWMBXNBOYZLUKN-STQMWFEESA-N 275.414 1.329 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C[C@H](O)c2ccc(C)cc2)C1 530170792 NDSJMHJNQUBQRG-ZFWWWQNUSA-N 279.336 1.204 0 50 CDAA COc1ccnc(CSc2nnc(CCN)n2C)c1 426434579 WMQZIKVGJFUMNF-UHFFFAOYSA-N 279.369 1.012 0 50 CDAA Cc1cc(C(F)(F)F)cc(N2CCO[C@@H](CN)C2)n1 534577304 NSFWXMKQNNWKEL-JTQLQIEISA-N 275.274 1.573 0 50 CDAA COc1c(C)cnc(CN2CCOCCC2=O)c1C 95519932 CAWKYMXNORSRHF-UHFFFAOYSA-N 264.325 1.456 0 50 CDAA Cn1ccnc1CN1CCC(Oc2ccncc2)CC1 670473810 AGAXPCFZZCZCJN-UHFFFAOYSA-N 272.352 1.859 0 50 CDAA CC1(C)CN(C(=O)[C@@H](O)Cc2ccccc2)CCCO1 366397126 CUMYRBJXJDVVJR-AWEZNQCLSA-N 277.364 1.618 0 50 CDAA CN(C)C1(CNC(=O)CCc2cn[nH]c2)CCCCC1 584884251 DISDPRIDOCGDMI-UHFFFAOYSA-N 278.400 1.723 0 50 CDAA CC1(C)C[C@@H](O)CCN(CCCn2ccnc2)C1 395349648 QZQIFXUTQFYYRH-ZDUSSCGKSA-N 251.374 1.756 0 50 CDAA C[C@H]1CN(C[C@@](C)(O)C(=O)O)CCN1c1ccccc1 903957927 RRBVLIORAZOJKI-SWLSCSKDSA-N 278.352 1.033 0 50 CDAA O=C(O)[C@H]1C[C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 2325769432 ZEQUIRGXAATLOH-RFHDDPBLSA-N 289.335 1.129 0 50 CDAA CN(C)[C@H]1C[C@H](C(=O)Nc2ccnn2C[C@H]2CCOC2)C1 2325785018 ZRUMNEMPAYFDDH-JHJVBQTASA-N 292.383 1.198 0 50 CDAA COc1ccc(NC(=O)N2CCOCC2)cc1OC 202558 HROOPCUVLMSUEF-UHFFFAOYSA-N 266.297 1.568 0 50 CDAA O=c1c2c(ncn1Cc1ccccc1)nc1n2CCC1 210970 JGGFEQHXSNEDMV-UHFFFAOYSA-N 266.304 1.588 0 50 CDAA C[C@@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O 317573 ZUEAGMUNOKBOMA-JTQLQIEISA-N 282.365 1.120 0 50 CDAA O=C(Cn1nnc(-c2ccncc2)n1)Nc1cccc(F)c1 378575 ZJGBFWDSGGYKOW-UHFFFAOYSA-N 298.281 1.513 0 50 CDAA COC[C@H](C)NC(=O)c1cc(OC)cc(OC)c1 441200 XONLURJUNCDYFS-VIFPVBQESA-N 253.298 1.469 0 50 CDAA O=C(O)[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1 827796 QCPHUNJWOAQNTN-NSHDSACASA-N 272.304 1.644 0 50 CDAA C[C@@H](C[C@@H]1C[C@@H](C)OC1=O)C(=O)Nc1nncs1 1424474 HSNRFEFDFJEALN-XLPZGREQSA-N 269.326 1.454 0 50 CDAA COC(=O)C1=CCCCCCC(=O)[C@H]1C(=O)OC 1762015 RVUTWNXVYDDMRP-NSHDSACASA-N 254.282 1.408 0 50 CDAA COC(=O)CCC(=O)NC(=S)Nc1ccccc1F 2882927 URAIAKMSPBXOQP-UHFFFAOYSA-N 284.312 1.592 0 50 CDAA O=C1OCC[C@@H]1Sc1nc2ccccc2c(=O)[nH]1 3984604 DICBSOIWEMJUEY-VIFPVBQESA-N 262.290 1.331 0 50 CDAA biogenic CCSc1nc(NC(C)C)nc(N2CCOCC2)n1 4868278 IGMJUETYYBWIHH-UHFFFAOYSA-N 283.401 1.641 0 50 CDAA CNC(=O)c1cc(S(=O)(=O)Nc2cccnc2)cs1 6681575 KWWOEMLDUBSGDO-UHFFFAOYSA-N 297.361 1.304 0 50 CDAA CSc1ncc(Cl)c(C(=O)NC[C@@H]2CCCO2)n1 6697295 SJPCCXAIDDCOLU-ZETCQYMHSA-N 287.772 1.761 0 50 CDAA O=C(CSc1ncccn1)Nc1nncs1 6730858 GLKBBUUBRJGDGC-UHFFFAOYSA-N 253.312 1.059 0 50 CDAA O=C(CC1(O)CCC1)N[C@@H]1CCN(c2ccc(F)cc2)C1 412958825 ZHWSMTLOLOVJGL-CYBMUJFWSA-N 292.354 1.826 0 50 CDAA Cn1cc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)ccc1=O 225232277 ZZZWXOWANOQVMU-GVXVVHGQSA-N 260.337 1.551 0 50 CDAA COc1ccc(CNCC2(O)CCOCC2)cc1 112717021 ORFPTULDTRKQGE-UHFFFAOYSA-N 251.326 1.326 0 50 CDAA COC[C@H]1CN(Cc2ncc(C)o2)CC(C)(C)O1 343335716 VBOIOZONCZGCQL-LLVKDONJSA-N 254.330 1.609 0 50 CDAA Cc1nc(CN(C)C)cc(NCCOc2nonc2C)n1 63856167 LIEYQPFEECOPSU-UHFFFAOYSA-N 292.343 1.029 0 50 CDAA CC1=CCN(C(=O)NC[C@@H](C)C(=O)OC(C)C)CC1 253413935 UDJFIERQRXWNNM-GFCCVEGCSA-N 268.357 1.936 0 50 CDAA CN1CCN(C(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)CC1 20328040 OPKZHOCEGPTLQZ-CQSZACIVSA-N 291.326 1.093 0 50 CDAA O=C(NCc1nc2cc(Cl)ccc2[nH]1)[C@H]1CCOC1 67679372 RPCVBDVSEXBSTO-QMMMGPOBSA-N 279.727 1.869 0 50 CDAA C[C@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@]2(CCOC2)O1 253431950 IJYCPEHPWZPVCK-AAEUAGOBSA-N 291.413 1.242 0 50 CDAA CCN1CCCN(C(=O)NCCN2CCCC[C@H]2C)CC1 252497896 HHBGMXMXWGAFMK-OAHLLOKOSA-N 296.459 1.598 0 50 CDAA C[C@@H]1CC[C@@H](NC[C@H]2COC3(CCOCC3)O2)C1 252512199 NZKLOQYHBFZNMP-UPJWGTAASA-N 255.358 1.687 0 50 CDAA O=C(NCCCS(=O)(=O)O)OCc1ccccc1 71621820 BSTROBHUCIGAAH-UHFFFAOYSA-N 273.310 1.191 0 50 CDAA CCc1nnc(CNC(=O)CN2CCCCCC2=O)s1 219879673 VWAUZXPLUAEODG-UHFFFAOYSA-N 296.396 1.119 0 50 CDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 329756711 MLHWPULCXMKGRF-LXFSFDBISA-N 297.395 1.190 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1cnc(-c2ccccn2)s1 124323898 ZRVHQJKMXOQBGR-SNVBAGLBSA-N 288.376 1.639 0 50 CDAA Cn1cc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cn1 253397030 SACCMJAPIPHEBY-LSDHHAIUSA-N 275.327 1.867 0 50 CDAA Cc1cc(N(C)Cc2noc(C)n2)n2nc(C)c(C)c2n1 72470292 ICLGTIJVXGBIPR-UHFFFAOYSA-N 286.339 1.982 0 50 CDAA COc1cc(C)cnc1C(=O)N1CC[C@H](O)C1(C)C 362268205 BPTRYHDWKZAUMM-NSHDSACASA-N 264.325 1.384 0 50 CDAA Cc1ccc2[nH]c(CNC(=O)CN3CCCC3)nc2c1C 219648691 DCCVPJPDOJQRRU-UHFFFAOYSA-N 286.379 1.892 0 50 CDAA COc1cc(Cl)ccc1S(=O)(=O)n1ccnc1 32498283 GJIIWYOYMSXEBP-UHFFFAOYSA-N 272.713 1.782 0 50 CDAA CCN1CCN(CCCSc2ccccc2)C(=O)C1=O 33359735 VJLMRPBEKRSFNY-UHFFFAOYSA-N 292.404 1.860 0 50 CDAA C[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)C(F)(F)F 262697365 YANZVLLMYZISCI-RNFRBKRXSA-N 253.220 1.651 0 50 CDAA COc1ccc(C)cc1CC(=O)N1CCO[C@@H]([C@H](C)O)C1 331347492 MMXQSZQKGUWDNS-SWLSCSKDSA-N 293.363 1.154 0 50 CDAA CC[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)c(C)s1 156124129 ZDALAARZJFWXPY-ZCFIWIBFSA-N 276.383 1.232 0 50 CDAA NC[C@@H](c1ccc(F)cc1)N1CC[C@@H](C(=O)O)C1 215672833 JQEOMOILFCBLJY-PWSUYJOCSA-N 252.289 1.232 0 50 CDAA CC(C)S(=O)(=O)CC(=O)N1CCC[C@H]1c1cccn1C 332352821 HRKLKBQXWZTQPW-ZDUSSCGKSA-N 298.408 1.512 0 50 CDAA 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1.055 0 50 CDAA CC[C@H](C(=O)O)N1CCCN(c2nccs2)CC1 191430085 MFFHIGXRPKNPMO-SNVBAGLBSA-N 269.370 1.518 0 50 CDAA C[C@@H](C(=O)O)N1CC[C@H](COCc2ccccc2)C1 328595947 LGMCYYGASKLTOW-JSGCOSHPSA-N 263.337 1.998 0 50 CDAA O=C(NCCCc1ccccn1)[C@H]1CC[C@@H](C(=O)O)C1 426465291 QYUJDNXPNMHJPV-NWDGAFQWSA-N 276.336 1.631 0 50 CDAA Cn1c(CCN)nnc1SCCOc1ccccc1 426537472 KKADUZSNOMUTTA-UHFFFAOYSA-N 278.381 1.487 0 50 CDAA C[C@H]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C1=O 95358892 QMIYFXNWVJASRS-JTQLQIEISA-N 267.350 1.459 0 50 CDAA O=C1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)CCN1 712940327 NRYGZTQARKAEGK-SRVKXCTJSA-N 250.342 1.208 0 50 CDAA CCOC(=O)[C@@H]1CC=C(B(O)OC(C)(C)C(C)(C)O)CC1 232320375 KOAKVGKZCZTSLT-LLVKDONJSA-N 298.188 1.862 0 50 CDAA NCC(=O)N1CCC(c2nccc(-c3ccccc3)n2)CC1 2325756593 MSQBZAVKRZOLKY-UHFFFAOYSA-N 296.374 1.808 0 50 CDAA COc1ccc(C[C@@](C)(NC(C)=O)C(=O)O)cc1OC 47531 VIQGMKBBYLJABC-CQSZACIVSA-N 281.308 1.226 0 50 CDAA in-vitro COCc1cc(C)nc2sc(C(N)=O)c(N)c12 87687 IHMBNOOUSWWUFM-UHFFFAOYSA-N 251.311 1.432 0 50 CDAA COc1ccc(OCC(=O)NCc2ccco2)cc1 173580 STQAIWDJAHLPHX-UHFFFAOYSA-N 261.277 1.983 0 50 CDAA COc1ccc(OCC(=O)O[C@H]2CCCN(C)C2)cc1 249816 IWRWQKKLZUWGCN-AWEZNQCLSA-N 279.336 1.711 0 50 CDAA C[C@@H]1CCC[C@@H]([C@@]2(O)C(=O)Nc3ccccc32)C1=O 521940 MTPZXTRTBTYMHA-XDMRBOTDSA-N 259.305 1.832 0 50 CDAA Nc1nc(-c2cccnc2)nn1C(=O)COc1ccccc1 610093 MXSPPXHNCARFJJ-UHFFFAOYSA-N 295.302 1.642 0 50 CDAA O=C(C[C@@H]1SCCNC1=O)Nc1cccc(F)c1 2341772 VSUAVTBJAPYAFP-JTQLQIEISA-N 268.313 1.386 0 50 CDAA CC1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1 3682968 PFADICZLFNMCQX-UHFFFAOYSA-N 283.349 1.805 0 50 CDAA O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 4750441 TWMLEMYWGACHBZ-INIZCTEOSA-N 288.391 1.946 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(C)nn32)cc1 8743628 NEISXYOZGFOUHF-LLVKDONJSA-N 285.307 1.417 0 50 CDAA C[C@@H](C(=O)O)N1C(=O)Cc2cc(Br)ccc21 8306770 ZLGMXKNZTSXNPA-LURJTMIESA-N 284.109 1.811 0 50 CDAA Cc1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)no1 225500688 PVZMGVLKBIPAMN-GWCFXTLKSA-N 295.289 1.964 0 50 CDAA Cc1cc2c(cc1C)[C@@H](C(=O)NCC1(N(C)C)CC1)CO2 416310364 ZONNANYEWOUJIM-AWEZNQCLSA-N 288.391 1.990 0 50 CDAA CN1CCC[C@@H]1CCNC(=O)CCC(=O)NC1CCCC1 55383791 PJPWPHFKYBOTNJ-CQSZACIVSA-N 295.427 1.426 0 50 CDAA C[C@H]1CN(C(=O)c2cccc(NCC(=O)O)c2)C[C@@H](C)O1 55414627 IIAOSGHVJQNSBU-PHIMTYICSA-N 292.335 1.433 0 50 CDAA O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CC=CCC1 101032559 ZWQJAINGHKKVPM-PJSNJIKXSA-N 286.331 1.181 0 50 CDAA Cc1nc(C)n(C[C@@H]2CCCN([C@H]3C[C@H](C)OC3=O)C2)n1 247860086 ZRTWGARUKFOGAE-GDLCADMTSA-N 292.383 1.311 0 50 CDAA CCCCCC(=O)CCC(=O)N[C@H]1CCOC1=O 45789166 IVKZMYYCIQZOQL-NSHDSACASA-N 255.314 1.348 0 50 CDAA in-vitro Cc1nc(CCN)cc(NCCc2ccccn2)n1 67712577 PGKLBYJVGBZRPU-UHFFFAOYSA-N 257.341 1.336 0 50 CDAA CCCN1CCC(Cc2noc([C@H]3CCC(=O)N3)n2)CC1 67604998 WLXVXPMPSFFNRA-GFCCVEGCSA-N 292.383 1.685 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)C(=O)c2ccco2)[nH]n1 67817420 KIQCRNBBKVVVRM-MRVPVSSYSA-N 261.281 1.241 0 50 CDAA C[C@@H]1OCC[C@@H]1NC[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 252486736 MPSXSWRTXIHNIJ-GUSZCTEKSA-N 288.391 1.973 0 50 CDAA C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCCO2 252445869 HTYUHWMRQNGSKP-INTQDDNPSA-N 291.303 1.356 0 50 CDAA Cc1ccc(Nc2nc3nonc3nc2N)c(C)c1 549896 MUURMIBCGFSXKQ-UHFFFAOYSA-N 256.269 1.955 0 50 CDAA O=C(Cc1ccccn1)NCc1nc(-c2ccccc2)n[nH]1 215368651 KTQOBMOFINJEPH-UHFFFAOYSA-N 293.330 1.726 0 50 CDAA C[C@@H](CN(C)c1nc(C(F)(F)F)cs1)c1nnn[nH]1 129830268 USJDAMMEQNSNQP-YFKPBYRVSA-N 292.290 1.915 0 50 CDAA C[C@H]1CCc2c(sc(=O)n2CCC2OCCO2)C1 120243986 BLEDHDNSVFVEJU-VIFPVBQESA-N 269.366 1.798 0 50 CDAA CS(=O)(=O)c1cnc(CC2CC2)nc1[C@@H]1CCCNC1 71748760 BINVJJKPBXOXTA-LLVKDONJSA-N 295.408 1.300 0 50 CDAA CSc1nccc(N2CCC[C@H](CNC(C)=O)C2)n1 32598137 MLTZHGJJTLAYIW-LLVKDONJSA-N 280.397 1.551 0 50 CDAA CN1C[C@H](NC(=O)c2ccc3ncsc3c2)CCC1=O 172490548 QZBZOONSZHWFMH-SNVBAGLBSA-N 289.360 1.647 0 50 CDAA O=C(c1ccc2c(c1)CCCO2)N1CCOC[C@@H](CO)C1 77439413 OVKNSWCXHLWRKX-GFCCVEGCSA-N 291.347 1.093 0 50 CDAA O=C(NC[C@H]1[C@@H]2COC[C@H]12)c1cc(F)c(F)c(O)c1F 367810784 ANCYODYVZYZCBH-WHUPJOBBSA-N 287.237 1.432 0 50 CDAA Cn1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)ccc1=O 72386037 RLHZFPYBICSXLS-LLVKDONJSA-N 286.335 1.128 0 50 CDAA Cc1c[nH]nc1CN[C@H]1CCCN(c2cnn(C)c2)C1 367974717 UEWWRWRJSPCTSO-LBPRGKRZSA-N 274.372 1.210 0 50 CDAA O=C(O)c1ccc(CNS(=O)(=O)CCC2CC2)cc1 261610208 SIIZXARCXHQISC-UHFFFAOYSA-N 283.349 1.604 0 50 CDAA O=C([C@@H]1CCCN1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 261753411 QJIYAIKCOWJNRW-HRCADAONSA-N 288.391 1.853 0 50 CDAA C[C@H]1CCCN(C(=O)/C=C/c2cccnc2)[C@@H]1CN 156790592 XOEDMNSBBHARNA-XFUXEANSSA-N 259.353 1.681 0 50 CDAA Cc1ccc(C(=O)NC[C@H](C)Oc2cccnc2)c(=O)[nH]1 216122834 PWHWTOCEKGBKKI-NSHDSACASA-N 287.319 1.276 0 50 CDAA CC(=O)NC[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1 236661098 CHHMRIONZWBSKV-DZGCQCFKSA-N 289.379 1.061 0 50 CDAA CN(C)c1ncc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=N)O)n1C 333462220 LVCKGBHZPWTALW-WCFLWFBJSA-N 291.399 1.622 0 50 CDAA C[C@H]1c2ccccc2CCN1C(=O)CS(=O)(=O)C1CC1 333600821 VCNKCOBUVRWYKI-NSHDSACASA-N 293.388 1.710 0 50 CDAA Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3CCCN3)cc2)n1 237832653 NRXMMZHBFDEFFL-ZDUSSCGKSA-N 298.346 1.436 0 50 CDAA CCCCCOCC(=O)Nc1cnn(CCN(C)C)c1 130203788 MRCLHSRIKOEETR-UHFFFAOYSA-N 282.388 1.590 0 50 CDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)C1CCCC1 238083089 KKQISDVODVOINE-LBPRGKRZSA-N 269.341 1.659 0 50 CDAA CC(C)n1nccc1NC(=O)N1CCC[C@@H](CO)C1 43451994 QNCYKRDYSVRJAC-LLVKDONJSA-N 266.345 1.700 0 50 CDAA Cc1nc(CNC(=O)N2CC[C@@H](CC(C)C)C2)no1 175697761 DTSGHUHBAYORFB-NSHDSACASA-N 266.345 1.956 0 50 CDAA Cc1nc(NC(=O)N2CCN(C(C)C)[C@H](C)C2)nn1C 48422463 CGZOWIPNAKZAGW-SNVBAGLBSA-N 280.376 1.070 0 50 CDAA NC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 45958482 QCGMGFRDGBZZDG-SSDOTTSWSA-N 261.306 1.135 0 50 CDAA Cc1cnccc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 195343200 RXZGBAFVWCCHEU-CQSZACIVSA-N 289.379 1.465 0 50 CDAA COCCN(Cc1sccc1C)C(=O)[C@@H](C)N(C)C 426358219 GFZMZPUWOBCNBS-GFCCVEGCSA-N 284.425 1.982 0 50 CDAA Cc1nccn1[C@H](C)CC(=O)N(C)Cc1ccn[nH]1 221187349 FJDXEQLGWLGNLI-SNVBAGLBSA-N 261.329 1.524 0 50 CDAA CC(C)c1nnc([C@@H](C)NC(=O)COc2cccnc2)o1 221182430 OZNQRLPDMXHVCH-SNVBAGLBSA-N 290.323 1.844 0 50 CDAA Cn1ncc(NC(=O)Cn2ccc3ccccc32)n1 199297776 RCGNRDSGTIDQOB-UHFFFAOYSA-N 255.281 1.409 0 50 CDAA CC(C)(C)OC(=O)NC1(CC(=O)O)CCC(=O)CC1 238121685 AMWHVEPXROJWIS-UHFFFAOYSA-N 271.313 1.868 0 50 CDAA CC(C)(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 236808150 HPTCIQKFFJFADK-UHFFFAOYSA-N 263.219 1.070 0 50 CDAA CC(C)Cc1cc(C(=O)NCCCn2ccnc2)on1 91965337 BXMHWMMFOYVBKF-UHFFFAOYSA-N 276.340 1.890 0 50 CDAA O=C(NCc1ncc[nH]1)[C@H]1CCOc2ccccc2C1 95520625 CXVKSDBLWIAOLM-LBPRGKRZSA-N 271.320 1.667 0 50 CDAA CC(=O)c1cc(C(=O)NCC[C@@H]2CCCN2)cs1 97675566 ABWBNBQTZLHJOT-NSHDSACASA-N 266.366 1.823 0 50 CDAA COc1ccc([C@H](C)CC(=O)N2CC[C@H](N)C2)cc1 237235961 LMGFBHHYLFIIHD-YPMHNXCESA-N 262.353 1.748 0 50 CDAA Cc1nnc(CN2C[C@@H](Cc3ccccc3)CC2=O)o1 95512331 BEDLPBNDULLADL-ZDUSSCGKSA-N 271.320 1.969 0 50 CDAA CCc1nnc(CN(Cc2nc(C)nn2C)C(C)C)o1 244700979 JXOSCYNAUCSGAJ-UHFFFAOYSA-N 278.360 1.480 0 50 CDAA CNC(=O)CN(C)[C@H](C)c1cc(-c2ccccc2)[nH]n1 244795066 QYWKZGBXCMLUJB-LLVKDONJSA-N 272.352 1.816 0 50 CDAA COCCn1cncc1CN1CCC[C@@H](c2cc[nH]n2)C1 244707981 KLHTWWDPNAMJGX-CYBMUJFWSA-N 289.383 1.632 0 50 CDAA COCC(C)(C)CNC(=O)C1(Cn2cccn2)CC1 534576725 CZZZMPMJCKKBIP-UHFFFAOYSA-N 265.357 1.452 0 50 CDAA CN(Cc1ccc2c(c1)OCO2)C(=O)C[C@@H]1CCOC1 351384126 MIHCCOXBQYSIJS-LBPRGKRZSA-N 277.320 1.800 0 50 CDAA Cc1cc(C)c(C(=O)NCCc2nc(C)no2)c(O)n1 263586964 AGWLATVHNWZTAJ-UHFFFAOYSA-N 276.296 1.068 0 50 CDAA Cc1cccc(C2(NC(=O)c3ccc4nnnn4c3)CC2)c1 534660315 GVLIYUSJVBJNAQ-UHFFFAOYSA-N 293.330 1.852 0 50 CDAA CC(=O)NC1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 622732035 XSJOYNFANVTRJD-MELADBBJSA-N 278.396 1.940 0 50 CDAA Cc1nonc1N1CCN(C(=O)Cc2cccs2)CC1 299780234 RYVGFNLWVUEYLM-UHFFFAOYSA-N 292.364 1.331 0 50 CDAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc2ccccc2c1 299798300 RZWCJRSGTVOZSP-CVEARBPZSA-N 283.375 1.487 0 50 CDAA COCCC(=O)N1CCCN(C2CCCCC2)CC1 584895756 DJVIXZYCTIWBSD-UHFFFAOYSA-N 268.401 1.890 0 50 CDAA Cc1csc2c(=O)n([C@H]3CC(=O)N(C(C)C)C3)cnc12 584894263 NBMQGSCQMMGZLH-JTQLQIEISA-N 291.376 1.948 0 50 CDAA COCC1(CNC(=O)[C@H](O)c2cccc(F)c2)CCC1 670439334 IFPJLNYMOXUVDE-CYBMUJFWSA-N 281.327 1.792 0 50 CDAA CCCCn1nc(C2CC2)nc1CCC(=O)NC 670456253 JYISETYFFSENPD-UHFFFAOYSA-N 250.346 1.634 0 50 CDAA Cc1cc2n(n1)CCN(C[C@@H](O)c1ccccc1)C2 244787724 QCLQJIZWWBCOAE-OAHLLOKOSA-N 257.337 1.741 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N(C)CC1(O)CCOCC1 408474642 IKHDVVDBWVAXIN-KGLIPLIRSA-N 299.411 1.438 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)c2cc(C)sn2)n[nH]1 278679644 UDZZKXHCKSZMKE-ZETCQYMHSA-N 264.354 1.844 0 50 CDAA O=C(CC1CC1)NCCN1CCc2ccccc2C1=O 170604642 CLEIPELKAKRKRT-UHFFFAOYSA-N 272.348 1.601 0 50 CDAA CCc1ncsc1NC(=O)C(=O)N1CCC(OC)CC1 269731055 XDPYJJASYDJCET-UHFFFAOYSA-N 297.380 1.281 0 50 CDAA O=S(=O)(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1COC1 280097937 ASBNFMQIDWQZFF-DGCLKSJQSA-N 299.367 1.780 0 50 CDAA Cc1nnc(CC(=O)N2C[C@H](C)Oc3c(F)cccc32)o1 187377339 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CDAA Cc1nc(C(=O)NCCCN2CCCC2=O)cs1 96151265 DLIWWGBDOGBSED-UHFFFAOYSA-N 267.354 1.194 0 50 CDAA CNCc1nc([C@@H]2CCOC2)nn1-c1cccc2c1CCC2 97505918 HZVCALGSUBLRLI-CYBMUJFWSA-N 298.390 1.979 0 50 CDAA Cc1ccc(CN2C[C@H](O)[C@@H](N3CCCC3)C2)s1 97553432 BUMFOLGABDBWJE-KBPBESRZSA-N 266.410 1.697 0 50 CDAA C[C@]1(C(=O)NCCSc2ccccn2)CCCNC1 96153300 ZVQOPXITENPVOG-AWEZNQCLSA-N 279.409 1.680 0 50 CDAA Cc1ncncc1C(=O)Nc1cccc(-n2nnnc2C)c1 340818403 MKARJTRYDYRKOJ-UHFFFAOYSA-N 295.306 1.321 0 50 CDAA CCCN1CCC[C@H]1CNC(=O)c1[nH]c(C)nc1C 622051977 XNDIAFVHEWIASK-LBPRGKRZSA-N 264.373 1.631 0 50 CDAA O=C1O[C@H]2C[C@@]1(O)C[C@@H]1OC3(CCCCCC3)O[C@H]21 252516307 RNMCMJQTYDOELZ-MEWQQHAOSA-N 268.309 1.271 0 50 CDAA O=c1c(NCc2ccc(CO)c(F)c2)nccn1C1CC1 182805631 HINBRWTYEQTEJE-UHFFFAOYSA-N 289.310 1.822 0 50 CDAA Cc1cc(C(=O)N[C@]2(CO)CCOC2)c(Cl)cc1F 182884200 ALSUBDCHVPOLEP-ZDUSSCGKSA-N 287.718 1.669 0 50 CDAA O=C(O)CN(C(=O)c1ccnc(C2CC2)n1)C1CC1 299744610 PJZINQJQCHRFJF-UHFFFAOYSA-N 261.281 1.043 0 50 CDAA Cc1cccnc1[C@@H](C)NC(=O)CCn1cnnc1 534661265 HUNFSRGFGIWBKV-LLVKDONJSA-N 259.313 1.249 0 50 CDAA Cn1nccc1CSc1nnc([C@@H]2CCCNC2)n1C 534582445 FREQCVIJQHLTBG-SNVBAGLBSA-N 292.412 1.308 0 50 CDAA CC[C@H](C)Oc1ccc(CNC(=O)N2CC(O)C2)cc1 534578264 QNSCNSGLTFFRAI-NSHDSACASA-N 278.352 1.750 0 50 CDAA C=CC(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 820436888 QYUAUFUCGFCJGI-UHFFFAOYSA-N 265.334 1.555 0 50 CDAA CCO[C@H](C)C(=O)NCCCOc1ccccc1 298451160 LFKFBLGCBXFKCO-GFCCVEGCSA-N 251.326 1.997 0 50 CDAA CCc1ccc(NC(=O)N[C@@H]2CNCC[C@H]2O)cc1 299802830 QUGOYNDYBVOVDG-CHWSQXEVSA-N 263.341 1.093 0 50 CDAA c1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc1 299800527 WRWRIBZMYYZZHL-KBPBESRZSA-N 271.324 1.019 0 50 CDAA COc1ccc(C(=O)N[C@H]2COC[C@@H]2OC)cc1C 824506334 BTRVQMJSBXTCTF-AAEUAGOBSA-N 265.309 1.147 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1n1cnc2c(F)cccc2c1=O 584897756 VIQGWOFEYVQWEU-STQMWFEESA-N 291.326 1.427 0 50 CDAA Cc1ccc(C(F)(F)F)cc1C(=O)NCC[C@H](O)CO 584895710 LSXNWKAOIDDJMZ-JTQLQIEISA-N 291.269 1.487 0 50 CDAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1C=CCN1 584890569 RPIZCGGJMARRNZ-AWEZNQCLSA-N 273.311 1.793 0 50 CDAA Cc1nnnn1CCC(=O)NC1(C(C)(C)C)CC1 584894248 UCKKYVKGXRZGAW-UHFFFAOYSA-N 251.334 1.067 0 50 CDAA Cc1[nH]c(=N)[nH]c(=NC[C@@H]2CCN(C3CC3)C2)c1Cl 584885249 LHAJYHBVTXYMDP-VIFPVBQESA-N 281.791 1.169 0 50 CDAA CC(C)c1ocnc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 670469968 VGMFOKNOTRJYBI-VIFPVBQESA-N 279.296 1.075 0 50 CDAA OC[C@@H]1CCCCN1CCCNc1nc[nH]c2nccc1-2 670465163 GPSFSPMCMRTTJO-LBPRGKRZSA-N 289.383 1.558 0 50 CDAA CCCCn1nc(C)nc1[C@@H]1CCCN(CC(N)=O)C1 670457673 JCIXPYVUHPSBFS-GFCCVEGCSA-N 279.388 1.051 0 50 CDAA Cc1cc(N2CCN[C@@H](c3ccccc3)C2)ncn1 685945048 QKNASVCWSGQZFC-CQSZACIVSA-N 254.337 1.936 0 50 CDAA Cc1cc(C(=O)NCc2cncn2C2CC2)nc(C)n1 952870308 ZZZKEMSGCMVUBR-UHFFFAOYSA-N 271.324 1.555 0 50 CDAA CS[C@H](C)C(=O)Nc1ccccc1NC(=O)CN(C)C 952970152 LHTSBMNWTDOZBX-SNVBAGLBSA-N 295.408 1.877 0 50 CDAA C[C@@H]1CCOCCN1c1cc(N2CCSCC2)ncn1 302831487 LGGJOUNZIJLOQZ-GFCCVEGCSA-N 294.424 1.645 0 50 CDAA COC(=O)C1(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)CCC(C)CC1 408091886 XTJYVAJJICEZOO-AQCKVWFBSA-N 295.379 1.792 0 50 CDAA Cc1cc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2)c(C)s1 217731795 VGBCQAUXLJSYGB-MKPLZMMCSA-N 268.382 1.265 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 269128637 ALXBDXKHJDDIFB-RTXFEEFZSA-N 277.295 1.862 0 50 CDAA CCc1cc(N2CCC[C@]3(CCS(=O)(=O)C3)C2)ncn1 631299747 BWUGKTMQBRJQEW-AWEZNQCLSA-N 295.408 1.444 0 50 CDAA Cc1noc(CCCC(=O)N2CCC=C(F)C2)n1 272139151 UHASRHAKTJHGMD-UHFFFAOYSA-N 253.277 1.786 0 50 CDAA CCn1c(S)nnc1CCNC(=O)[C@@H]1CCCS1 170644212 FOOZBCYSGWAUIM-QMMMGPOBSA-N 286.426 1.141 0 50 CDAA C[C@H](NC(=O)c1cnc(S)[nH]1)c1ccc2c(c1)OCO2 170600194 CHRVURYRZXOSKN-ZETCQYMHSA-N 291.332 1.918 0 50 CDAA CN(CC[C@@H]1CCCO1)Cc1ccnc(N(C)C)n1 170604724 KBNOTFHEXVPRAF-ZDUSSCGKSA-N 264.373 1.544 0 50 CDAA COc1ccccc1CNS(=O)(=O)c1conc1C 631644003 KGKWEQMUWYSPQL-UHFFFAOYSA-N 282.321 1.470 0 50 CDAA O=C(Cc1ccc2c[nH]nc2c1)N[C@H]1CCc2n[nH]cc2C1 684442825 RAEKDYNLJUCSJK-ZDUSSCGKSA-N 295.346 1.502 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1C 187974172 ZNMLHRSGONTHKR-JQWIXIFHSA-N 262.309 1.353 0 50 CDAA CC(=O)N[C@@H]1CCN(C(=O)NC(C2CC2)C2CC2)C1 643225447 JVUBCYGRLABYFA-GFCCVEGCSA-N 265.357 1.095 0 50 CDAA Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@@H](C)Cn1cccn1)CC2 557514539 MQNJFRUVYQAULF-JQWIXIFHSA-N 287.367 1.224 0 50 CDAA CC/C=C/CCN1CCC[C@@](O)(CC(=O)N(C)C)C1 643812115 HECGRYDWCPBHDC-LLYBFZRZSA-N 268.401 1.648 0 50 CDAA C[C@@H]1CN(c2nc3ccccc3o2)CCS(=O)(=O)C1 191959491 OZUZVHKZBLZDBP-SNVBAGLBSA-N 280.349 1.699 0 50 CDAA C[C@@H](CO)N(C)S(=O)(=O)c1cccc2c1OC(C)(C)C2 192644412 ODEOZMYUMQMFBH-JTQLQIEISA-N 299.392 1.401 0 50 CDAA CC(C)(C)OC(=O)CCCn1nnc(C2CC2)n1 193613058 HABHZRPNQRKDFP-UHFFFAOYSA-N 252.318 1.672 0 50 CDAA CC(C)(C)c1cc(N2CCC(O)CC2)nc(C(=O)O)n1 571645541 FNLZBOMALVNUGE-UHFFFAOYSA-N 279.340 1.433 0 50 CDAA Cc1c(NC(=O)[C@H]2C[C@H](N)C2)cnn1-c1ccccc1F 662799090 IKRKBUWYVBJKFC-XYPYZODXSA-N 288.326 1.996 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)NCCc2ccoc2)N1C1CC1 663228959 IKIFEPVDQUJGDZ-OLZOCXBDSA-N 292.335 1.018 0 50 CDAA CC(C)(C)N1CC[C@H]1C(=O)NCc1nccs1 585120757 JHCGEXWFZROUSM-VIFPVBQESA-N 253.371 1.632 0 50 CDAA Cc1c(CNC(=O)c2cncc(F)c2Cl)cnn1C 585131850 HYMHGWQZFUOBDC-UHFFFAOYSA-N 282.706 1.846 0 50 CDAA NC(=O)[C@@H]1CCN(CC[C@@H]2C[C@H]2c2ccccc2)C1 585141005 NJVVQLSMSFCQBX-KFWWJZLASA-N 258.365 1.987 0 50 CDAA CC[S@@](C)(=O)=NC(=O)c1c(Br)cnn1C 693444039 FKTHCFLEEHSKIP-OAHLLOKOSA-N 294.174 1.441 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2ccc(COC)cc2)C1 134089478 AKTLAQZHQIZCME-CQSZACIVSA-N 262.353 1.657 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1ccnc(-c3ccccn3)n1)C2 1615546220 MWLZPDNGGLQDNW-XNVJVGRKSA-N 295.346 1.148 0 50 CDAA COC(=O)[C@H]1CCN1Cc1ccc(-n2cncn2)c(F)c1 1615605500 YKBPTLYPALPONQ-CYBMUJFWSA-N 290.298 1.154 0 50 CDAA Cc1cnnc(N2CCC3(CC2)C[C@@H](N)CO3)c1C 1857679669 PWNDNEURMXEQQN-GFCCVEGCSA-N 262.357 1.180 0 50 CDAA C=CC(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 1875378888 HOMQJPVLTLBZHH-WDEREUQCSA-N 268.357 1.982 0 50 CDAA Cc1csc(CNc2nccc(N3CC[C@H](O)C3)n2)n1 1529141504 JUXNYCRDDAJQGQ-JTQLQIEISA-N 291.380 1.425 0 50 CDAA CCc1noc(NC(=O)CC2CCNCC2)c1C 1529159602 VMLXQNYMJJHSPC-UHFFFAOYSA-N 251.330 1.874 0 50 CDAA Cc1nc2ccc(C(=O)N3C[C@@H](O)CO3)cc2s1 1857683570 WVZCNRYXYVCBLL-SECBINFHSA-N 264.306 1.353 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3nccn3C)C[C@@H]21 1704339091 CZOGSWLJVQUWDT-TYNCELHUSA-N 277.368 1.433 0 50 CDAA COC[C@H]1CN(C(=O)C2CCC(O)CC2)CC(C)(C)O1 408030354 GHSWFSJRSXZAJQ-WXRRBKDZSA-N 285.384 1.190 0 50 CDAA CC(=O)c1cnc(N[C@@H]2CCC(=O)N(C)C2)nc1C 1704313578 QVVHAFITEYCVBB-SNVBAGLBSA-N 262.313 1.020 0 50 CDAA NCCn1cc(I)nc1C1CC1 116541734 CNLVWZIQYJPDBQ-UHFFFAOYSA-N 277.109 1.324 0 50 CDAA CCc1sc(-n2cccc2)nc1C(=O)N[C@@H](C)CO 1565524151 BWNVOEPGNSWCBQ-VIFPVBQESA-N 279.365 1.607 0 50 CDAA CC(C)c1noc(CN2C[C@@H]3CCCN3C(=O)[C@H]2C)n1 1772706179 QXUSLPMGRVWQGD-MNOVXSKESA-N 278.356 1.388 0 50 CDAA Cc1nc[nH]c1CN(CCN(C)C)Cc1ccco1 1772705984 FQDRKYMLSYRYTD-UHFFFAOYSA-N 262.357 1.875 0 50 CDAA CC1(C)O[C@H]2[C@H](O)[C@@H](OCc3ccccc3)OC[C@H]2O1 5500077 HFTMCJJTIGIBFH-RQJABVFESA-N 280.320 1.441 0 50 CDAA CC(C)N1C[C@H](COc2ccc(CC(N)=O)cc2)OC1=O 12382460 ICKWLCLFLWVPPA-CYBMUJFWSA-N 292.335 1.322 0 50 CDAA O=C(O)c1cccc2n[nH]c(I)c12 14983773 POTWVYVTMBLLKR-UHFFFAOYSA-N 288.044 1.866 0 50 CDAA CN1CCN(Cc2ccc(F)cc2Cl)C[C@@H]1CCO 19745419 SFKPLDOPQHOBPL-ZDUSSCGKSA-N 286.778 1.978 0 50 CDAA Cc1cc(N2CC3(CN(C)C3)C2)nc(-c2ccccc2O)n1 1857679406 KLKXSZLRZDXENI-UHFFFAOYSA-N 296.374 1.909 0 50 CDAA O=C(O)Cc1cccc(-c2cccc(N3CCNCC3)n2)c1 1857736418 NWVDVQMMXLPQKZ-UHFFFAOYSA-N 297.358 1.785 0 50 CDAA O=C(O)c1cccc2c1CCN(C(=O)C1CCOCC1)C2 123863898 NLSSZECXLYGHOQ-UHFFFAOYSA-N 289.331 1.696 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc1 247054 DNBHSCLUHQKGMD-LBPRGKRZSA-N 285.365 1.773 0 50 CDAA in-vitro Cn1nccc1[C@H]1OCC[C@@H]1Nc1ncnc(N)c1Cl 424092226 GJMCKEKIORSPMW-XVKPBYJWSA-N 294.746 1.388 0 50 CDAA CCc1nsc(N(C)C[C@@H]2CCc3nccn3C2)n1 328623755 JLNUVMWSPCMFQI-JTQLQIEISA-N 277.397 1.996 0 50 CDAA CC(=O)N[C@H]1CCN(C(=O)c2nc3ccccc3s2)C1 631437462 YBCJGNBDFVGZMF-JTQLQIEISA-N 289.360 1.647 0 50 CDAA CC(C)(C)[C@]1(C(=O)O)C[C@@](O)(C(C)(C)C)C(=O)O1 6556272 NQPNKQWQQQUQDN-QWHCGFSZSA-N 258.314 1.580 0 50 CDAA Cc1nn(C)c(C)c1C(=O)NCCN1CCCC[C@H]1C 129585542 ITIRIXZXPXTPQJ-LLVKDONJSA-N 278.400 1.641 0 50 CDAA CCOC(=O)[C@H]1CN(Cc2ccccc2)CC12COC2 238850640 CGBYSXYQRGWJGI-CQSZACIVSA-N 275.348 1.698 0 50 CDAA in-vitro NC(=O)[C@H]1CCCC[C@@H]1NCc1ncn(-c2ccccc2)n1 131078084 HWDNLMDTPAGSJG-KBPBESRZSA-N 299.378 1.401 0 50 CDAA CN1CCN(C(=O)c2cc(O)nc(C3CC3)n2)C(C)(C)C1 565190123 JMFHTHPMVUBGRE-UHFFFAOYSA-N 290.367 1.226 0 50 CDAA CN1C[C@H](c2nc(Cn3cnc4ccccc43)no2)CC1=O 357477949 WBSJWGPJPKLRTR-SNVBAGLBSA-N 297.318 1.413 0 50 CDAA Cn1cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)cn1 154285767 AWOHIMGZVHNRGT-UHFFFAOYSA-N 288.282 1.696 0 50 CDAA O=C(c1cc2ccccn2c1)N1C[C@@H](O)C2(CC2)C1 368786996 REYUCQUBDRSAIV-CYBMUJFWSA-N 256.305 1.536 0 50 CDAA Cc1cccnc1CNS(=O)(=O)N1CCCC[C@H]1C 264208252 ROALODAOGNSJAD-GFCCVEGCSA-N 283.397 1.599 0 50 CDAA CC(C)(CNC(=O)[C@H]1COc2ccccc2O1)C(=O)O 127014536 BUVPGWFDAOLERA-LLVKDONJSA-N 279.292 1.053 0 50 CDAA Cn1cncc1CN1CCOc2ccccc2[C@@H]1C(=O)O 903925455 AKOZYRSXRLIKLP-CQSZACIVSA-N 287.319 1.440 0 50 CDAA CN(Cc1ccc(F)cc1)C(=O)[C@]12CNC[C@H]1CCOC2 912029289 LBICPKPDEDRUQI-CJNGLKHVSA-N 292.354 1.410 0 50 CDAA CC(=O)N1CC[C@](N)(c2nc(-c3ccc(Cl)o3)no2)C1 819800387 RHBSFGBCKZLEDP-GFCCVEGCSA-N 296.714 1.389 0 50 CDAA Cn1cc(CC(=O)N2CCOC[C@@H]2C2CCC2)c(Cl)n1 843697847 IUQJWANQJBHGNG-GFCCVEGCSA-N 297.786 1.644 0 50 CDAA C=CC(=O)N(C)CC(=O)NCc1nc(C(C)(C)C)cs1 859226468 LEXCCVJLZIHQOW-UHFFFAOYSA-N 295.408 1.701 0 50 CDAA CO[C@@H]1CC[C@@H](C)N(c2nc(O)c3cnn(C)c3n2)C1 866070916 LWXDLFRLRIDZKB-RKDXNWHRSA-N 277.328 1.073 0 50 CDAA Cc1nccnc1[C@H](C)NCc1cnn2c1CN(C)CC2 952889435 CUJHDPPVIAJXBZ-LBPRGKRZSA-N 286.383 1.278 0 50 CDAA Cc1cc(-c2noc([C@@H]3CO[C@@H](C)C3)n2)cc(=N)[nH]1 1875286650 YXTMOZRDKNEPKU-WPRPVWTQSA-N 260.297 1.745 0 50 CDAA CN(C)C/C=C/C(=O)N(C[C@H](O)c1ccccc1)C1CC1 1875378625 IETRKOBYBYUWND-FSNWXROXSA-N 288.391 1.829 0 50 CDAA O=C1NCCC[C@@H]1Nc1ncnc(-c2ccccc2)n1 884519020 HIFYTPGLGPMPAL-NSHDSACASA-N 269.308 1.229 0 50 CDAA COCc1cc(C2CN(C[C@@H](O)CC(F)(F)F)C2)no1 886079387 JWQIFWRDVNPXBM-VIFPVBQESA-N 294.273 1.534 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cnc(C)nc2)C1 888079111 AAZPZTUHGPEHOI-CHWSQXEVSA-N 273.340 1.470 0 50 CDAA C/C(=C\C(=O)N1CCO[C@H]2CNC[C@H]21)c1ccccc1C 1775958905 YRIWVFWGMPDMMO-MIAKERSBSA-N 286.375 1.598 0 50 CDAA C[C@@H](CC(=O)N1CC(N2CC(O)C2)C1)c1ccc(F)cc1 1776006832 WXYJVIIBVJRHSK-NSHDSACASA-N 292.354 1.207 0 50 CDAA CC1(C)C[C@H](O)CCN(c2cnc(C(=O)O)cn2)C1 263334667 NBOZVCUZPSLJFD-SECBINFHSA-N 265.313 1.162 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1ccc2c(c1)OCO2 263330257 PUFACQHKVXYEEM-DTORHVGOSA-N 263.249 1.008 0 50 CDAA Oc1ccc(N2CCN(CCn3cccn3)CC2)cc1 49000241 JLGKICXSJUZDMI-UHFFFAOYSA-N 272.352 1.411 0 50 CDAA O=C(O)[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1 534636333 FPPYPSVVMXTETB-SNVBAGLBSA-N 277.349 1.988 0 50 CDAA Cc1cc(C)n(C2CN(c3ncncc3C(=O)O)C2)n1 95366806 ITRBBZKXRRVQDY-UHFFFAOYSA-N 273.296 1.049 0 50 CDAA Cc1nc(C)c(C(=O)Nc2ncc3c(n2)OCC3)o1 2100537589 QXQKWCRQGSRXPO-UHFFFAOYSA-N 260.253 1.269 0 50 CDAA Cc1cc(C)n([C@H]2CCN(c3ncc4ncn(C)c4n3)C2)n1 2100544714 GNKRJMGXTWYKLC-LBPRGKRZSA-N 297.366 1.628 0 50 CDAA c1ccc(CCN2CCN(CCc3ccccn3)CC2)nc1 19770801 YYDFKVCSEPWSPE-UHFFFAOYSA-N 296.418 1.879 0 50 CDAA CN(C)c1nc(N2CCOCC2)nc2ccccc12 41147116 JOJRGQJJGGRLGC-UHFFFAOYSA-N 258.325 1.532 0 50 CDAA O=C(NCCc1c[nH]c2ncccc12)[C@H]1CNCC12CC2 2325750495 YOVAYQVXRYDUCS-CYBMUJFWSA-N 284.363 1.221 0 50 CDAA Cc1nc([C@H](C)OC(=O)c2c(C(C)C)cnn2C)n[nH]1 2325769395 KMSRQZDRMOTQOJ-QMMMGPOBSA-N 277.328 1.888 0 50 CDAA O=C(N[C@H]1CCNC1)c1cc(-c2cc[nH]n2)ccc1F 2325778150 DPFXIDOOHWVFOM-JTQLQIEISA-N 274.299 1.308 0 50 CDAA OCCN1CCC(CCCC2CCN(CCO)CC2)CC1 56418 VSSGEWPIFHKREK-UHFFFAOYSA-N 298.471 1.565 0 50 CDAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(F)c1 238581 UJFGEIFDSVPYBS-NSHDSACASA-N 263.268 1.876 0 50 CDAA O=C1CCC([C@@H](NC(=O)c2ccccc2)C(=O)O)CC1 402119 RLHRYJJOKQQNFP-CYBMUJFWSA-N 275.304 1.629 0 50 CDAA CCCN1CCC(N2CCC[C@H](C(N)=O)C2)CC1 757102 BFHADDFHSMDVKN-LBPRGKRZSA-N 253.390 1.058 0 50 CDAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12 1582158 RYFZBPVMVYTEKZ-KBPBESRZSA-N 283.331 1.200 0 50 CDAA biogenic,in-vitro Cc1nccn1CC(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356137531 OXTRWAOZBBSKCC-MRXNPFEDSA-N 299.378 1.421 0 50 CDAA N=c1cc[nH]cc1-c1cnc2c(N3CCCC3)nccn12 2356140903 RENNQNVVHMRXOM-UHFFFAOYSA-N 280.335 1.804 0 50 CDAA COc1cc(NC(=O)c2nc[nH]n2)cc(OC)c1OC 4282195 SBUYAXLHEDSVIU-UHFFFAOYSA-N 278.268 1.083 0 50 CDAA COC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 4868018 GICWWZRRGPWNPK-QMMMGPOBSA-N 291.756 1.668 0 50 CDAA CCc1ccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1 4944799 MAHKYTGDBCSHGD-SNVBAGLBSA-N 284.319 1.389 0 50 CDAA Cc1cc(C)n(CCC(=O)N2Cc3ccccc3C2)c(=O)n1 55358344 NXTXGXXTZGVLOO-UHFFFAOYSA-N 297.358 1.793 0 50 CDAA O=C(O)c1cccc(N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)n1 416423046 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CCn1c(CC2CCNCC2)nn(CCC=C(C)C)c1=O 65417240 FGRCZVQWORUKDK-UHFFFAOYSA-N 292.427 1.963 0 50 CDAA CCc1cc(N[C@@H]2CCNC2=O)nc(N2CCCCC2)n1 65489143 SITFRTGUZYWUCV-GFCCVEGCSA-N 289.383 1.330 0 50 CDAA CCNS(=O)(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 281134576 ZDVKMCTZTAAPLT-WCQYABFASA-N 286.372 1.906 0 50 CDAA FC(F)(F)CN1CC[C@H](N[C@H]2CCN3CCCC[C@H]23)C1 252517730 PYYKMKAJZAWCMR-RWMBFGLXSA-N 291.361 1.839 0 50 CDAA O=C1C[C@@]2(CCN(c3ncnc4c3CCCCC4)C2)CN1 432926239 WOIXGACPKIJQCA-INIZCTEOSA-N 286.379 1.462 0 50 CDAA Cc1ccc(CN2CC[C@](O)(CO)C2)c2cccnc12 214994459 QOZDFBUXLSCUFK-MRXNPFEDSA-N 272.348 1.472 0 50 CDAA CCOC(=O)Cc1noc(-c2ccc(F)cc2)n1 71873589 XESVTHRJJWCDFC-UHFFFAOYSA-N 250.229 1.981 0 50 CDAA Cc1cccc(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1 71754587 DNPZROHPRPUEDV-ZDUSSCGKSA-N 276.380 1.973 0 50 CDAA Cc1cnc(CNc2cc(C)nc3ccnn23)cn1 72430315 GJQJRKMIIOUXOX-UHFFFAOYSA-N 254.297 1.748 0 50 CDAA CCc1nccc(CN2CC[C@]3(CCCN(C)C3=O)C2)n1 215122112 ISMPCNCAZUVLJG-MRXNPFEDSA-N 288.395 1.483 0 50 CDAA Cc1c(F)cccc1S(=O)(=O)N(C)C1CCNCC1 237125971 XFNWVXUNFMLRIK-UHFFFAOYSA-N 286.372 1.507 0 50 CDAA COC[C@@H]1CN(C(=O)CCc2ccncc2)CC(C)(C)O1 285542690 PZFDEXYPSPWGEG-AWEZNQCLSA-N 292.379 1.667 0 50 CDAA CCN(Cc1cn(C)nc1C)C[C@H](O)c1cccc(O)c1 215231335 HOANCXVLIZMWNQ-INIZCTEOSA-N 289.379 1.990 0 50 CDAA CC[C@]1(O)CCCN(c2ncnc3c2c(C)nn3C)C1 72474650 PRYFKVXMSCPRPL-AWEZNQCLSA-N 275.356 1.413 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)CN2CCCCCCC2=O)C1 262122332 GTKUQBWVHTZMKU-HNNXBMFYSA-N 296.367 1.102 0 50 CDAA C[C@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)CC2(CCC2)O1 335362603 YKGQMTBTBZWQGN-RYUDHWBXSA-N 280.368 1.215 0 50 CDAA COC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccccc32)[C@H]1C(=O)OC 216237724 LOWFMEONNNEOOG-ASEORRQLSA-N 288.299 1.419 0 50 CDAA CSC1(CNC(=O)/C=C/CN(C)C)CCN(C)CC1 492978657 DGYZVRAWVKTALE-AATRIKPKSA-N 285.457 1.048 0 50 CDAA CCc1nccn1CC(=O)NCc1cnn2ccccc12 72167935 OPVDOMILJVDTJU-UHFFFAOYSA-N 283.335 1.410 0 50 CDAA COc1ccc(O)c(C(=O)N[C@](C)(CN)C2CC2)c1 130274382 UDVUSOFGEJRWJL-CQSZACIVSA-N 264.325 1.258 0 50 CDAA O=C(NCCCn1ccc2ccccc21)c1cnn[nH]1 48889637 BDBQUEDCKJCLAN-UHFFFAOYSA-N 269.308 1.580 0 50 CDAA CCN1CCO[C@@H](C(=O)NCc2cccc(F)c2)C1 174568457 RADSLBKJMPIIFW-CYBMUJFWSA-N 266.316 1.163 0 50 CDAA CSc1nc(C(=O)NCCN2CCCCC2=O)cs1 223157085 PBXQVPNBCJJUOK-UHFFFAOYSA-N 299.421 1.607 0 50 CDAA CC(C)(C)c1ccccc1C(=O)N1CCO[C@@H](C(=O)O)C1 132546719 GCSFFPVYORQFAF-CYBMUJFWSA-N 291.347 1.910 0 50 CDAA Cn1cnc(C(=O)NCCOC2CCCCCC2)c1 178734046 JHVKYRZGQNXEHY-UHFFFAOYSA-N 265.357 1.889 0 50 CDAA CCCN1CC[C@H](NC(=O)Cc2nc3ccccc3[nH]2)C1 426707294 XSGYYJAUOUIHKO-LBPRGKRZSA-N 286.379 1.706 0 50 CDAA COc1cccc(C(=O)N2CCn3cncc3C2)c1 290985243 WHFWEHIIIILMNT-UHFFFAOYSA-N 257.293 1.548 0 50 CDAA CCc1noc2ncc(C(=O)N3CC[C@H](CN)C3)cc12 178519324 KYWZUGLUWSIPNP-SECBINFHSA-N 274.324 1.206 0 50 CDAA Cc1cc(C)n(CCCC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)n1 223209781 XHOUQVOJLLDFRD-RDBSUJKOSA-N 277.368 1.574 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@H](CN)C1 178523998 UACIZDJYLONTGG-GFCCVEGCSA-N 262.353 1.435 0 50 CDAA CC(C)(C)[C@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1 178660914 VTIJBEMJCQSEOC-CYBMUJFWSA-N 287.367 1.638 0 50 CDAA Cc1ccc(-c2noc([C@@H](C)Cn3cccn3)n2)nn1 82119910 SGJSJUGEYAIHLZ-VIFPVBQESA-N 270.296 1.835 0 50 CDAA CCCc1cc(NC(=O)[C@@H]2CCN(C)C(=O)C2)n(C)n1 179567536 ATCQYSSVYJVEEV-SNVBAGLBSA-N 278.356 1.180 0 50 CDAA CCc1noc([C@@H](C)NC(=O)c2ccn(C)c2C)n1 426492784 JLFGCRQIBACOHJ-MRVPVSSYSA-N 262.313 1.770 0 50 CDAA Cc1ccc(CCC(=O)N[C@@]2(CCO)CCOC2)s1 293043721 WIRNHTYNHRAYPB-AWEZNQCLSA-N 283.393 1.647 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)Nc2cc(F)ccc2F)[C@H]2C=C[C@H]1O2 239038738 DVCPSCSBTRQRNT-DDHJBXDOSA-N 295.241 1.558 0 50 CDAA O=C1CC[C@]2(CCOC2)CN1Cc1nnc2ccccn12 91486590 GWYJPQSYSCQJBD-HNNXBMFYSA-N 286.335 1.258 0 50 CDAA COc1cccn(CC(=O)N(C)[C@@H](C)c2ccon2)c1=O 95498645 AXRGJRZTNNPAKT-JTQLQIEISA-N 291.307 1.065 0 50 CDAA OCCOc1cccc(CN2CC(N3CCCCC3)C2)c1 97772746 RQKQXNKFSOLQCC-UHFFFAOYSA-N 290.407 1.728 0 50 CDAA CC[C@@]1(CO)CCCN(Cc2nncn2C(C)C)C1 91997969 HSYOZFPIMWJORP-CQSZACIVSA-N 266.389 1.844 0 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MIPNVRKMENFENA-SECBINFHSA-N 294.332 1.409 0 50 CDAA Cc1nn(C)c(Cl)c1CN1CC[C@@H]2NCCC[C@@H]2C1 166861407 BUYJBKRBCPMKPU-YPMHNXCESA-N 282.819 1.956 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)[C@H]2CC23CC3)cn1 263207634 NDEMMXTWMIVBLN-SECBINFHSA-N 263.297 1.441 0 50 CDAA C[C@H]1CCN(C(=O)c2ccn([C@@H]3CCCNC3)n2)C1 275403832 BHQRZLIUIDGXCK-NWDGAFQWSA-N 262.357 1.290 0 50 CDAA CN(C)C[C@@H](O)CNC(=O)c1cc(F)cc(Cl)c1 534659631 WVZZWSAJIVIQRC-NSHDSACASA-N 274.723 1.131 0 50 CDAA Cc1ccc(C)c(CC(=O)N[C@H]2CCOC[C@@H]2O)c1 629232957 NIDRFBGDFNMVKF-KBPBESRZSA-N 263.337 1.112 0 50 CDAA N=c1[nH]cc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)s1 584895227 NNMMSVPHHQFTIU-AWEZNQCLSA-N 289.360 1.289 0 50 CDAA Cn1ccnc1C(=O)N1CC[C@@H](O)CC(C)(C)C1 857774128 ZRTXZYVBLVDKPP-SNVBAGLBSA-N 251.330 1.043 0 50 CDAA CC1(C)CC2(CC(C)(C)N1)OC(=O)N(C1CC1)[C@@]2(C)O 36888 XZUBYKNEMFCNPL-AWEZNQCLSA-N 282.384 1.989 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)NCCCc1ccccn1 2100555614 ZEDVVICYTWGSEE-GFCCVEGCSA-N 281.425 1.599 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(OC)c1 11566179 AEVDHDUGPRSNOC-QMMMGPOBSA-N 293.772 1.398 0 50 CDAA CCc1nnc(NC(=O)[C@@H]2CCCc3c2ncn3C)s1 2325779600 RFRYBLFUBHTSQI-MRVPVSSYSA-N 291.380 1.893 0 50 CDAA COC(=O)c1ccccc1NC(=O)CCCC(=O)O 197596 GXKUROSCGNOAIR-UHFFFAOYSA-N 265.265 1.667 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCSC2=O)c(C)c1 247463 GAWCSTVJAVYBDI-LLVKDONJSA-N 299.417 1.922 0 50 CDAA CCc1ccc(N(CC(=O)OC)S(C)(=O)=O)cc1 314677 BKLHFGHKBBNGJH-UHFFFAOYSA-N 271.338 1.188 0 50 CDAA COc1ccc(NC(=S)NCCN(C)C)cc1 460027 KJWXBRPRFNDJDU-UHFFFAOYSA-N 253.371 1.543 0 50 CDAA Cn1nc(C(=O)Nc2cccnc2)c2ccccc2c1=O 609440 LSBAMQBJSHUMOZ-UHFFFAOYSA-N 280.287 1.581 0 50 CDAA C[C@@H](NC(=O)c1ccc2c(c1)OCO2)[C@@H]1CCCO1 1054267 MRJUYPBLOMGFDD-KOLCDFICSA-N 263.293 1.713 0 50 CDAA O=C(C(=O)N1CCOCC1)c1c[nH]c2ccccc12 2023730 LMNYZFUEOJRQSR-UHFFFAOYSA-N 258.277 1.209 0 50 CDAA Cn1c(S)nnc1CNC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 225421061 QRWXJXQEDJBPGN-AKEJEFCPSA-N 278.381 1.012 0 50 CDAA CCCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)[nH]n1 55386545 PXOINECXGSOWHT-ZDUSSCGKSA-N 287.319 1.918 0 50 CDAA COCCN1CCN(c2ccc3nccnc3n2)C[C@H]1C 112080367 ZNZWAJSAYPRDOP-GFCCVEGCSA-N 287.367 1.182 0 50 CDAA O=C(O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccccc32)[C@H]1C(=O)O 103907384 AXEBGCZYVSAZRU-GMNPVEAJSA-N 260.245 1.242 0 50 CDAA Cn1cc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cn1 178576031 YFFKGBWLUAFQBM-ZFWWWQNUSA-N 292.383 1.257 0 50 CDAA O=C(Nc1nncs1)N1CCC(CCO)CC1 55325979 RPINIWMNUZVQPA-UHFFFAOYSA-N 256.331 1.164 0 50 CDAA CCC(=O)NCCNc1cc(-n2nc(C)cc2C)ncn1 67612976 HBUGOYYAYAPWIO-UHFFFAOYSA-N 288.355 1.217 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(-c2ccn[nH]2)o1 67642829 MEZSHDPMJDXLIE-MNOVXSKESA-N 286.335 1.523 0 50 CDAA CCCN(CCC)C(=O)CN1CCO[C@]2(CCO[C@H]2C)C1 375918411 WBLXKBSZISCJIQ-GOEBONIOSA-N 298.427 1.515 0 50 CDAA OCCCN1CCc2[nH]nc(-c3ccccc3F)c2C1 67433892 XOICWIUVFXUSQO-UHFFFAOYSA-N 275.327 1.956 0 50 CDAA Cc1nonc1OCCNC(=O)c1cc2sccc2[nH]1 67514237 BXKGXURDOKHTQH-UHFFFAOYSA-N 292.320 1.730 0 50 CDAA O=C1Nc2ccc([S@](=O)O)cc2C1(Cl)Cl 309505999 PMZIFWNHFAXTIT-UHFFFAOYSA-N 266.105 1.850 0 50 CDAA Cc1sc(/C=C/c2cn(C)nn2)nc1C(=O)O 352029016 WUZGLAXJPVBKRC-ONEGZZNKSA-N 250.283 1.449 0 50 CDAA O[C@@H]1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 67965936 UXORTRCOZHHLHD-OAHLLOKOSA-N 294.358 1.963 0 50 CDAA O=C(O)[C@@H]1CS[C@@H](c2ccc3c(c2)OCO3)N1 53471 XFGXAJCIOOXIGL-XVKPBYJWSA-N 253.279 1.204 0 50 CDAA biogenic O=C(CSc1nc2ccccc2[nH]1)N1CCNC1=O 118115 DYLDXGLXDZJRFQ-UHFFFAOYSA-N 276.321 1.207 0 50 CDAA O=C(NCCc1ccccc1)[C@H]1CC12CCNCC2 70251976 AFQHXDGOPDUSIE-CQSZACIVSA-N 258.365 1.735 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)n(C)n1 332160142 SJJWIVCEOHEGEH-DGCLKSJQSA-N 299.378 1.835 0 50 CDAA Cc1nn(C)cc1NC(=O)CN1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 72154613 STYOBLUNZAFEPB-KPWCQOOUSA-N 288.395 1.645 0 50 CDAA Cc1nc(C2CCN(C(=O)c3ccncc3F)CC2)no1 78105656 CMYMHNGSUDVLLZ-UHFFFAOYSA-N 290.298 1.932 0 50 CDAA C[C@@H](Cc1cnccn1)NC(=O)CCc1cccnc1 219603750 OPOXAKWHJSVBGE-LBPRGKRZSA-N 270.336 1.552 0 50 CDAA O=C(N[C@@H]1CCc2[nH]ncc2C1)N1Cc2ccccc2C1 154335348 ZNCQICZPYHIVHD-CQSZACIVSA-N 282.347 1.992 0 50 CDAA CC[C@@]1(O)CCN(C(=O)Nc2ccc3c(n2)CCC3)C1 333178993 LHKVAPXHAGDMLR-OAHLLOKOSA-N 275.352 1.949 0 50 CDAA COC[C@@]1(C(=O)N2CCC([C@@H]3CCCO3)CC2)CCNC1 333264022 JHECXKNAXJVGNC-GOEBONIOSA-N 296.411 1.030 0 50 CDAA C[C@@H]1CCNCC[C@H]1NCC1(S(C)(=O)=O)CCCC1 333256972 IEIKURIWVGJVAX-CHWSQXEVSA-N 288.457 1.322 0 50 CDAA Cc1cc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ncn1 333497112 HLFTYAYYWUIMND-CDGCEXEKSA-N 283.331 1.482 0 50 CDAA COc1nccc(NC(=O)N[C@H](C)c2cnn(C)c2)n1 282732913 SRVHNZJWQDCGKY-MRVPVSSYSA-N 276.300 1.101 0 50 CDAA CCn1ccnc1C(=O)N=c1[nH]n(-c2cccnc2)cc1C 368279047 LJOOXOGASDKYIB-UHFFFAOYSA-N 296.334 1.466 0 50 CDAA Cc1cc(C(=O)NC2(C(=O)O)CC2)nn1C(C)(C)C 237710845 QVEYXDQZVBCQDV-UHFFFAOYSA-N 265.313 1.294 0 50 CDAA Cc1[nH]nc(CCC(=O)N2CCC[C@@H](N(C)C)CC2)c1C 72173774 LYMUFHQRFWUWJM-CQSZACIVSA-N 292.427 1.902 0 50 CDAA Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2C(=O)O)n1 262171476 VFGLDDDKRKCRFR-NEPJUHHUSA-N 279.340 1.527 0 50 CDAA CCO[C@@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1ccccc1 262199774 ZVEIQZNFPCXGBT-QWHCGFSZSA-N 293.319 1.076 0 50 CDAA COCC[C@@H](NC(=O)c1ccc(C)c2c1CCC2)C(N)=O 450418817 MZCDVXJINJDHIT-CQSZACIVSA-N 290.363 1.104 0 50 CDAA CCn1cc(CN2C[C@@H](NC(C)=O)[C@H](C(C)C)C2)cn1 77536791 INHBYKSGVOPMGW-LSDHHAIUSA-N 278.400 1.496 0 50 CDAA Cc1nc(C2CCN(CCN3CCO[C@@H](C)C3)CC2)no1 374326742 PKZWVZFRVFQOFQ-LBPRGKRZSA-N 294.399 1.278 0 50 CDAA C[C@H]1CN(C(=O)c2ccc[nH]2)CC2(CCOCC2)O1 336046249 JHJDPTANWBLJMB-NSHDSACASA-N 264.325 1.425 0 50 CDAA O=C(c1cn[nH]c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 375299394 HTCUOSGUHZWKBC-HNNXBMFYSA-N 282.303 1.146 0 50 CDAA CN(Cc1nccn1C)C(=O)[C@@H]1CCc2ccccc2O1 336284647 BOCORDWWKMLMMK-AWEZNQCLSA-N 285.347 1.772 0 50 CDAA CCc1nnc2ccc(N3CCC[C@H](c4nc[nH]n4)C3)nn12 378216584 GHTCITXHLZZJKL-JTQLQIEISA-N 298.354 1.189 0 50 CDAA C[C@H]1[C@H](c2ccccc2)OCN1CN1C(=O)CCC1=O 71772872 ZRWHGPSWWJXUMK-XHDPSFHLSA-N 274.320 1.512 0 50 CDAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C2CC2)cc1 263091243 DRSQCHSUOPHVLP-SECBINFHSA-N 283.349 1.658 0 50 CDAA C=CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NC)n1C 328596949 BULULOZWBGLASY-LBPRGKRZSA-N 275.352 1.624 0 50 CDAA CN(C(=O)[C@H]1CCCOC1)[C@H](Cc1ccccc1)C(=O)O 263367669 AKVJPGWBBGTXDU-UONOGXRCSA-N 291.347 1.567 0 50 CDAA Cc1[nH]nc(C(=O)NC[C@H](CO)Cc2ccco2)c1Cl 426419772 NDVCWHLAWKHCJM-SECBINFHSA-N 297.742 1.546 0 50 CDAA COCCCNC(=O)N(C)[C@H](C)Cc1cc(C)ccn1 426581076 ZXWORHMNKCUKDI-CYBMUJFWSA-N 279.384 1.999 0 50 CDAA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1cc[nH]c1 220212971 NKDPGZGNUVSKGP-OLZOCXBDSA-N 264.325 1.329 0 50 CDAA CCN1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82125922 KHNYCSZCONZUEX-INIZCTEOSA-N 290.411 1.677 0 50 CDAA O=C(Cn1ccnc1)N1CC[C@@](CO)(c2ccccc2)C1 291124314 GGRWOYFGPWXKBQ-MRXNPFEDSA-N 285.347 1.046 0 50 CDAA Cn1c(CN)nnc1SCCC(F)(F)C(F)F 426550064 PVKBARLMCSEQCX-UHFFFAOYSA-N 272.271 1.656 0 50 CDAA CC(C)C[C@@H](NC(=O)CN1CCC[C@@H]1C)C(=O)O 236770437 BPKORCPAGNZECA-WDEREUQCSA-N 256.346 1.086 0 50 CDAA COc1cc(CCC(C)=O)ccc1ON1CCNCC1 426701474 SJGMDNZYRLLXGU-UHFFFAOYSA-N 278.352 1.416 0 50 CDAA C[C@H]1CCCN(C(=O)c2ncncc2Cl)[C@@H]1CN 179222210 MFVATGFOGLJSML-WCBMZHEXSA-N 268.748 1.329 0 50 CDAA CCN(CC)[C@@H]1CCN(c2nc(C(N)=O)cs2)C1 292954986 GDPMDHQONHSETK-SECBINFHSA-N 268.386 1.163 0 50 CDAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@H](N)C1 237016489 NPRDVLYEYKWFPJ-JQWIXIFHSA-N 266.316 1.543 0 50 CDAA COCC[C@@]1(CO)CCCN(C(=O)c2ccsc2)C1 91595552 YXRCHTCCAHWZKK-AWEZNQCLSA-N 283.393 1.999 0 50 CDAA CCc1cnc(N(C)CCCCN2CCOCC2)nc1 95372695 CEYHPGRDCXOFBM-UHFFFAOYSA-N 278.400 1.588 0 50 CDAA COC(CN)(OC)c1cncc(Br)c1 238336520 WZWAEECVCPKGLG-UHFFFAOYSA-N 261.119 1.248 0 50 CDAA O=C(O)c1csc(CCNC(=O)[C@H]2CCCCO2)n1 90940344 AWYNJFSSOSUERA-SECBINFHSA-N 284.337 1.069 0 50 CDAA O=C(c1ccc2[nH]nnc2c1)N1CCC(c2ncc[nH]2)CC1 95510613 DJMWBQDKXYZXRU-UHFFFAOYSA-N 296.334 1.701 0 50 CDAA O=C(NC[C@H](O)[C@H]1CCOC1)c1ccnc2ccccc12 522977426 FAHQUEWCXHEJHK-NHYWBVRUSA-N 286.331 1.362 0 50 CDAA CC(C)[C@@]12CCC[C@@H]1[C@H]1C=C[C@H]2n2c(=O)n(C)c(=O)n21 248068664 WVIPTVFZOMYAPM-BLTAXRJOSA-N 275.352 1.457 0 50 CDAA CC[C@@H](NC(=O)Cc1c(C)n[nH]c1C)[C@H]1C[C@H](O)C1 244748859 OPSMIONKLNQJJI-NQBHXWOUSA-N 265.357 1.235 0 50 CDAA C[C@@H]1CN(C)[C@@H](c2ccccc2)C[C@]12NC(=O)NC2=O 245380735 JIVUQMZFYBMAHJ-HCKVZZMMSA-N 273.336 1.278 0 50 CDAA Cn1cnc(CN[C@H]2CCCOc3cc(F)ccc32)n1 182177474 SWHKWPJIXPRCRT-LBPRGKRZSA-N 276.315 1.958 0 50 CDAA COc1nc(C(=O)N2CCC[C@H](OCC3CC3)C2)co1 626518896 JPJJBRVOGXAGMU-NSHDSACASA-N 280.324 1.714 0 50 CDAA O=C(Cn1nc2ccccc2n1)NCc1nc(C2CC2)no1 534632466 QHKQXBFERWLOJT-UHFFFAOYSA-N 298.306 1.008 0 50 CDAA C[C@H](C(=O)N(C)CCN(C)C)n1cnc2ccccc21 267089497 ICKSFZTUEQGUQL-GFCCVEGCSA-N 274.368 1.617 0 50 CDAA CC[C@H](NC(=O)CCc1cnccn1)c1ncnn1CC 534656003 KZJBHBJCGLGQCX-LBPRGKRZSA-N 288.355 1.288 0 50 CDAA CC(=O)N1CCO[C@@H](CNC2CC(C)(C)NC(C)(C)C2)C1 534652982 PBAUCCNTYVAHAZ-AWEZNQCLSA-N 297.443 1.133 0 50 CDAA Cn1cncc1C(=O)NC1CCN(Cc2ccncc2)CC1 278512065 ASHJLQXHXVVSQT-UHFFFAOYSA-N 299.378 1.210 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)ccc1O 91474976 MRAHSOGMLQPMJW-OLZOCXBDSA-N 260.337 1.510 0 50 CDAA O=C(/C=C/c1cc(CO)cs1)NCCn1cccn1 828835569 YKAXNQOULCAHEQ-NSCUHMNNSA-N 277.349 1.267 0 50 CDAA COCCN1CC[C@H](CN(C)c2nc(C)cnc2C)C1 824412339 GJPKDRRXJIIHIJ-CQSZACIVSA-N 278.400 1.498 0 50 CDAA CC[C@]1(O)CCCN(Cc2cnc(OC)nc2)C1 822691562 VDHGFZAUKAOYLJ-ZDUSSCGKSA-N 251.330 1.222 0 50 CDAA CN1CC[C@@](C)(C(=O)NCC2(N(C)C)CCCCC2)C1 823754933 FNOHJTLPSUEXGZ-OAHLLOKOSA-N 281.444 1.709 0 50 CDAA O=C1C[C@H](C(=O)N2CCSCC2)C2(CCCC2)O1 828244555 NIKBEZDVMYUFNS-SNVBAGLBSA-N 269.366 1.438 0 50 CDAA CCS[C@H](C)C[C@H]1CC(=O)CC(=O)[C@H]1C(=O)OC 584904293 CVZKLPQJZINCBZ-PTRXPTGYSA-N 272.366 1.856 0 50 CDAA O=C1N[C@H](c2ccc(O)cc2)C(=O)N[C@H]1C1CCCCC1 670468978 MQYZZUGFHYTKNV-UONOGXRCSA-N 288.347 1.628 0 50 CDAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCOCC1 584902539 KOGAFBLOSBTSHJ-LBPRGKRZSA-N 294.395 1.320 0 50 CDAA CC(C)(O)Cn1nc(CC(N)=O)nc1C1CCCCCC1 670445260 LTCZPPKYYHDOON-UHFFFAOYSA-N 294.399 1.515 0 50 CDAA OCCn1ncnc1CCc1nc2ccccc2s1 670444173 HCCPIZWTLZAUCQ-UHFFFAOYSA-N 274.349 1.665 0 50 CDAA Cc1nnc(O)c(C(=O)NOCc2cccnc2)c1C 1334628296 WLYIUUBQKGLZIR-UHFFFAOYSA-N 274.280 1.056 0 50 CDAA CC[C@H](C(=O)NC1(COC)CCCC1)N(C)CC 952985131 CGDSLDGATOGCQD-GFCCVEGCSA-N 256.390 1.792 0 50 CDAA CCN(CCc1nc2cccc(C)c2[nH]1)S(C)(=O)=O 952863197 CNDOJEBOKXATJK-UHFFFAOYSA-N 281.381 1.695 0 50 CDAA Cc1c[nH]ccc1=NCCNCc1nc2ccccc2[nH]1 952970318 UJJVEGIGEUORHC-UHFFFAOYSA-N 281.363 1.890 0 50 CDAA Cc1cc(N)n(CC(=O)NCc2ccc(F)cc2Cl)n1 952968821 IKKDXVOWGCFJGF-UHFFFAOYSA-N 296.733 1.883 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)c1sccc1Cl 72164765 GNGOQPHYIHGAMV-ZETCQYMHSA-N 289.740 1.717 0 50 CDAA O=c1onc(-c2ccccc2)n1CCC1OCCO1 163666786 XTCCUPXULGIVJY-UHFFFAOYSA-N 262.265 1.266 0 50 CDAA CC(=O)N1CCc2cc(C(=O)N(C)[C@H](C)C(=O)O)ccc21 268995026 VDWOPJKRQLCWOK-SECBINFHSA-N 290.319 1.141 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)O)c2ccc(F)cc2O1 268954911 TWMFLCRIUJPXOW-FKTZTGRPSA-N 279.267 1.660 0 50 CDAA Cc1csc(C(C)(C)NC(=O)[C@@H]2C[C@H]2C(=O)O)n1 268933071 ZDYKGYMTUQMJLO-HTQZYQBOSA-N 268.338 1.524 0 50 CDAA CC[C@@H](N[C@@H](C)C(=O)N(C)C)c1c(C)noc1C 170077210 JTJSTJJHDXFRNB-GXSJLCMTSA-N 253.346 1.809 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)Cc2csc(C)n2)cn1 170613345 SMZBYWBNIWZAHJ-UHFFFAOYSA-N 297.405 1.976 0 50 CDAA Cc1cc(C)n(-c2ccc(N3CC[C@]4(CCOC4)C3)nn2)n1 301616765 WAKFCEIPDHGULZ-INIZCTEOSA-N 299.378 1.896 0 50 CDAA Cc1cnccc1Cn1cc(C[C@@H](O)C(C)(C)C)nn1 641142707 DGATVAXUCJTJDX-CQSZACIVSA-N 274.368 1.979 0 50 CDAA CC(=O)NC1CN(C(=O)NC[C@@H](C)c2cccc(C)c2)C1 190194802 LJKIXWQVKOMLJD-GFCCVEGCSA-N 289.379 1.628 0 50 CDAA CCn1nccc1CN1C[C@H](OC)C[C@@H]1c1nc(C)no1 190153732 UFAQTUCOBBCMBO-CHWSQXEVSA-N 291.355 1.556 0 50 CDAA CC1(C)CN[C@@H]1C(=O)Nc1ccc2nccnc2c1 644019121 KARKQIVCSKNYON-GFCCVEGCSA-N 256.309 1.566 0 50 CDAA Cc1cnc(CNc2cc(N3CCSCC3)ncn2)o1 192734031 PDBVWDOVCPTYJT-UHFFFAOYSA-N 291.380 1.938 0 50 CDAA CCn1cc(-c2n[nH]cc2C(=O)N2CC3(CC3)C2)cn1 567573399 IMMPIATZTFLXFK-UHFFFAOYSA-N 271.324 1.529 0 50 CDAA COc1ccc2c(n1)N(C(=O)Cn1cc(Cl)cn1)CC2 569567227 FCLPDYMSQDCHES-UHFFFAOYSA-N 292.726 1.529 0 50 CDAA Cc1cc(=NC[C@@H]2CCO[C@H]2c2nccn2C)cc[nH]1 664508409 HOTHHWULKKSSIO-GXTWGEPZSA-N 272.352 1.735 0 50 CDAA Cc1nc(N2CCC[C@](O)(CO)C2)c2c(C)csc2n1 583799381 ZEKRWKUZTHTQII-CQSZACIVSA-N 293.392 1.632 0 50 CDAA O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@@H]1COc2ccccc21 585123887 KHOMAPSZQNUKSV-LALPHHSUSA-N 299.330 1.532 0 50 CDAA CC(C)(CN1C[C@H](F)C[C@H]1C(N)=O)c1ccccc1 585655508 YXIFJOZYGCRKAD-OLZOCXBDSA-N 264.344 1.862 0 50 CDAA CCn1nccc1NC(=O)[C@H]1CN(C)C(=O)c2ccccc21 683730560 LZJNJWWTWBOYAX-ZDUSSCGKSA-N 298.346 1.711 0 50 CDAA CCNc1ncc(C(=O)N2CCC[C@@H]2COCC)cn1 91416611 VYCXLNXCHOPHSN-GFCCVEGCSA-N 278.356 1.550 0 50 CDAA O=C(N1CCOCC1)N1CCC[C@@H](NCC(F)(F)F)C1 1614922582 AJEBXLKTHJUROJ-SNVBAGLBSA-N 295.305 1.055 0 50 CDAA O[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]1F 952990202 VDCUAXLCISHNFH-ZIAGYGMSSA-N 261.300 1.387 0 50 CDAA Cc1c(NC(=O)Cn2nc3ccccc3n2)cnn1C 1180290761 AOTXBAOTGUAQDA-UHFFFAOYSA-N 270.296 1.112 0 50 CDAA CCc1c(C)noc1NC(=O)CCN1CCCCC1=O 1506396675 DYYNJLZJWULWMO-UHFFFAOYSA-N 279.340 1.887 0 50 CDAA COC[C@H](c1ccccn1)N(C)C(=O)c1nccn1C 1506421075 UIEOPWDOCOTXIE-GFCCVEGCSA-N 274.324 1.275 0 50 CDAA CO[C@@H]1COCC[C@H]1Nc1ncnc2ccsc12 223468322 UMJDWEHJJOODCB-PSASIEDQSA-N 265.338 1.907 0 50 CDAA COc1ccc(C(=O)Nc2nonc2NC(C)=O)cc1C 1529185096 JLTGTWOCQJOLLF-UHFFFAOYSA-N 290.279 1.597 0 50 CDAA Cn1ccnc1NC(=O)[C@@H]1CCCN(C(=O)C2CCC2)C1 1529198488 BCHKYTJFLCEIRM-GFCCVEGCSA-N 290.367 1.397 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC1CCCCCC1 225686288 HYCFRKTXICJVPV-FVCCEPFGSA-N 279.336 1.480 0 50 CDAA CC(C)[C@H]1CN2C[C@@H](NC3CCOCC3)C[C@H]2CO1 1857721071 YDLVDCIVYBAGFJ-SOUVJXGZSA-N 268.401 1.253 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 106379 PUUMWLAHRHUIBU-SECBINFHSA-N 253.685 1.773 0 50 CDAA in-vitro Cc1cc(=O)oc2ccn(CCn3ccnc3)c(=O)c12 1547204159 JFTGURIMZNDUIV-UHFFFAOYSA-N 271.276 1.160 0 50 CDAA CCOC(=O)c1n[nH]cc1I 3832442 MOURTQXAPIMDJC-UHFFFAOYSA-N 266.038 1.191 0 50 CDAA in-vitro O=C(NC1CCCCCC1)N1CCC(OCCO)CC1 332273903 FAVTYYDVQHMTOC-UHFFFAOYSA-N 284.400 1.892 0 50 CDAA CCc1nc(CC(=O)N2CC[C@@](C)(C(=O)O)C2)cs1 237034456 PJDFDUIMTYOGIE-CYBMUJFWSA-N 282.365 1.571 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)CO[C@H]1CCC[C@@H](C)C1 237358513 QAECIQOSFMQBCA-RQJABVFESA-N 268.401 1.920 0 50 CDAA CN(C(=O)N1CCOC[C@@]12CCOC2)C1CCCC1 241644693 PSTHPQUXLCCJQM-AWEZNQCLSA-N 268.357 1.472 0 50 CDAA COc1nc(NC[C@@H](CO)Cc2ccco2)ncc1F 1772708115 BLMGJTZEZDORNM-VIFPVBQESA-N 281.287 1.480 0 50 CDAA CCc1ccccc1OCCN1CCOC[C@H](C(=O)O)C1 1775979668 LAHXNQHXJWIKOE-CQSZACIVSA-N 293.363 1.661 0 50 CDAA Cc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1 5378634 SXIUNUKMSHZRRJ-UHFFFAOYSA-N 277.369 1.536 0 50 CDAA Cc1ccc(NC(=O)c2ccccc2-n2cnnn2)nc1 12324359 CWSSYXIOIRQPJV-UHFFFAOYSA-N 280.291 1.618 0 50 CDAA COc1ccc(C(=O)CSc2nc(N)cc(=O)[nH]2)cc1 13371906 JXINDVJAGJKCRB-UHFFFAOYSA-N 291.332 1.336 0 50 CDAA Cc1ccc(S(=O)(=O)C[C@@H](C)N2CCN(C)CC2)cc1 19360041 WFUYNNOXJCNJDT-CQSZACIVSA-N 296.436 1.405 0 50 CDAA Nc1cncc(N2CCC([C@H](O)Cc3ccccc3)CC2)n1 1857674841 ZVKJKSQHRUABJL-OAHLLOKOSA-N 298.390 1.879 0 50 CDAA CCc1nsc(N2CCC[C@@H](C(=O)N(C)C)C2)n1 301552631 YTFVAXLPCAGXMI-SECBINFHSA-N 268.386 1.405 0 50 CDAA COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1[C@H]1CC=CCC1 4833962 VSIMRWHTBRBEGT-WCQYABFASA-N 294.351 1.488 0 50 CDAA Cc1ccc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)cn1 328633996 SZXUINVKYGEEAL-ZDUSSCGKSA-N 285.351 1.242 0 50 CDAA O=C(NC[C@@H]1CCCOC1)c1cc2nc[nH]c2cc1F 333268713 KAZQDCYQVRQQIE-VIFPVBQESA-N 277.299 1.858 0 50 CDAA O=C(Cn1ncc2ccccc21)N1CCC[C@@](F)(CO)C1 335902507 AGDIFNGWBHQSCP-HNNXBMFYSA-N 291.326 1.359 0 50 CDAA O=C1CC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H](C2CC2)N1 457789441 PCPHJIXSTRIOMS-OCCSQVGLSA-N 287.363 1.679 0 50 CDAA COc1cccc(C2(C(=O)N[C@@H](C)c3nc[nH]n3)CC2)c1 353722262 RUYHWEKISJYKQS-JTQLQIEISA-N 286.335 1.722 0 50 CDAA CCn1nncc1C(=O)N[C@@H]1c2ccc(F)cc2O[C@@H]1C 575603216 PYSVOCVHALESNV-OQPBUACISA-N 290.298 1.689 0 50 CDAA CCn1ncc2ccc(NC(=O)[C@H]3NC(=O)O[C@@H]3C)cc21 496675681 FHWVJRKKKZSAFB-PELKAZGASA-N 288.307 1.492 0 50 CDAA Cc1cccc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c1F 1704325921 OLAZDZRJRLWDKE-STQMWFEESA-N 292.354 1.537 0 50 CDAA O=C(O)[C@H]1CCN(Cc2cc(F)ccc2Cl)C[C@H]1O 1704300897 AZEAHIJNPZAOSX-CMPLNLGQSA-N 287.718 1.747 0 50 CDAA CCO[C@@H](C)C(=O)N1CC(=O)Nc2cc(F)c(F)cc21 906250917 KKORQSRXMBBGLQ-ZETCQYMHSA-N 284.262 1.675 0 50 CDAA Cn1cnc(CN[C@]2(CO)CCOc3ccccc32)c1 808411595 DILQSZWNVUPITL-HNNXBMFYSA-N 273.336 1.180 0 50 CDAA Cc1nc2n(n1)C[C@@H](C(=O)Nc1ccccc1N(C)C)CC2 930102365 JUJCQOUPROOIRN-LBPRGKRZSA-N 299.378 1.854 0 50 CDAA Cc1nc(C)c(C)c(N2CCN3C[C@@H](F)C[C@H]3C2)n1 952993438 XSVFDCYFANUKPK-STQMWFEESA-N 264.348 1.634 0 50 CDAA CCN(CC)[C@H]1CCN(C(=O)N2C[C@H]3CC[C@H]3C2)C1 1875273904 CXTCEYQRNLIORU-MJBXVCDLSA-N 265.401 1.864 0 50 CDAA Cc1nccc(N2CCN(c3ccnc(O)c3)CC2)n1 1875286890 LKCZXJLARKWSSD-UHFFFAOYSA-N 271.324 1.212 0 50 CDAA COCCN=c1[nH]c(Cc2nc(C(C)(C)C)no2)cs1 1875279213 DRCVXTNRSMSHGK-UHFFFAOYSA-N 296.396 1.895 0 50 CDAA O=C(O)[C@]12CCC[C@@]1(C(=O)NC1[C@@H]3C[C@@H]3[C@H]3C[C@@H]13)C2 1875306109 TVLVTFAADOEJPQ-LYRWHDQDSA-N 261.321 1.402 0 50 CDAA Cc1ccc2nc(Cn3cncc(F)c3=O)cn2c1 1875388192 PWDBNMMPKJCRMY-UHFFFAOYSA-N 258.256 1.387 0 50 CDAA CNC(=O)c1cccc(CN=c2[nH]c3ccncc3n2C)c1 1875316951 KTBKHVFBGVDBJA-UHFFFAOYSA-N 295.346 1.362 0 50 CDAA C[C@@H]1CCC[C@H]1S(=O)(=O)NC(=O)NC1CCCC1 1875329859 GWNCSIDMEAGNPP-MWLCHTKSSA-N 274.386 1.747 0 50 CDAA O=C(O)[C@H](F)C1CN(C(=O)[C@H](C2CC2)[C@@H]2CCCO2)C1 1875334466 PAGFQOSQPZZSCQ-QJPTWQEYSA-N 285.315 1.073 0 50 CDAA C=CC(=O)N1CCC(C(=O)NC(C)(C)CSC)CC1 1875366988 DHCSBDGBBZZBCT-UHFFFAOYSA-N 284.425 1.669 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(N)nn2)n1C 888077140 MYVPIKGBAZDEEP-LBPRGKRZSA-N 285.351 1.683 0 50 CDAA CC(C)Cc1coc(NC(=O)c2cnsn2)n1 894442033 JSMUPJDIRVEMIA-UHFFFAOYSA-N 252.299 1.977 0 50 CDAA Cc1cc(CO)cc(C)c1CNc1nccn2nnnc12 895742824 NMIBPITWTLQVBP-UHFFFAOYSA-N 284.323 1.241 0 50 CDAA c1cc(-c2csc(CN3CCOCC3)n2)no1 1775994004 ZOAFPTYJXKYHPQ-UHFFFAOYSA-N 251.311 1.630 0 50 CDAA NC(=O)[C@H](O)C1CCN(CCc2ccccc2Cl)CC1 1775959288 SOVUECRMIPUUKH-CQSZACIVSA-N 296.798 1.441 0 50 CDAA CN(CCCn1ccnc1)S(=O)(=O)c1ccc(N)cc1 186186163 QMAOPRIRGNNXAA-UHFFFAOYSA-N 294.380 1.176 0 50 CDAA Cc1ccc(O)c(CN(C[C@H]2CCCN2)C2CC2)n1 311292536 BZUMNJASSGJRNI-GFCCVEGCSA-N 261.369 1.812 0 50 CDAA CCOc1ccc(CN2C[C@H](OC)C[C@H]2CO)cc1 311878649 YAHXMTHFIUBZQW-DZGCQCFKSA-N 265.353 1.667 0 50 CDAA Cc1cccc(CSc2nnc(CCN)n2C)c1 426529194 CJMGQUGJXHGTEC-UHFFFAOYSA-N 262.382 1.917 0 50 CDAA COC1CC(C(=O)N(C)Cc2ccc(C(=O)O)cc2)C1 630135549 OYRDMLLHKMUENF-UHFFFAOYSA-N 277.320 1.768 0 50 CDAA C[C@@H]1OCC[C@@]1(O)CNC(=O)[C@H]1CC12CCCC2 333361596 XQNZVJYXBYDXBS-MISXGVKJSA-N 253.342 1.223 0 50 CDAA O=S(=O)(c1cccc(Cl)c1)N1C[C@@H](O)C2(CC2)C1 334189708 LSAJNKKHENPXMD-LLVKDONJSA-N 287.768 1.485 0 50 CDAA Cc1nccn1CCCn1c(=O)cnc2ccccc21 95351993 TVMZSJXPZBGQGI-UHFFFAOYSA-N 268.320 1.992 0 50 CDAA COc1cc(-c2cncc(N)n2)cc(OC)c1OC 2100557226 PPQLQZDUEKHVOR-UHFFFAOYSA-N 261.281 1.752 0 50 CDAA COCc1cc(C)nc2sc3c(=O)[nH]cnc3c12 18202598 GOJLBPWVYBMCEA-UHFFFAOYSA-N 261.306 1.988 0 50 CDAA C[C@H](NC1CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1 2325722202 VDOACWYFLVTLRZ-NSHDSACASA-N 299.378 1.959 0 50 CDAA CC[C@@]1(C(C)C)C[C@H]1C(=O)OCCN1C(=O)CCC1=O 2325751493 BNKPXYPAMFBTCZ-NHYWBVRUSA-N 281.352 1.751 0 50 CDAA Cc1nc(N[C@H](C)c2nc[nH]n2)c(C)c(-n2cccn2)n1 2325802533 MPNYLKGKVUHXAZ-SECBINFHSA-N 284.327 1.570 0 50 CDAA CC(C)(C(=O)NCc1ccc2occc2c1)c1nn[nH]n1 2325807139 DDZZWLXHRDXWEL-UHFFFAOYSA-N 285.307 1.540 0 50 CDAA O=C(COc1ccccc1)N1CC(Nc2ccncn2)C1 2325810255 FHVLWELXLYCXJI-UHFFFAOYSA-N 284.319 1.178 0 50 CDAA COc1cc(NC(=O)[C@@H](C(=O)O)C(C)C)ccc1O 911416680 QWLYJJBLAVKMAO-NSHDSACASA-N 267.281 1.696 0 50 CDAA COC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 379681 FVCMBVXBTNSXHV-UHFFFAOYSA-N 291.756 1.587 0 50 CDAA CCCCNC(=O)C(=O)NC[C@H]1OCCc2ccccc21 2501402 XUGMVGFFHYXMTC-CQSZACIVSA-N 290.363 1.333 0 50 CDAA CCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCC 2995929 JMKVTDBBFZHMBV-UHFFFAOYSA-N 272.242 1.309 0 50 CDAA O=C(COc1ccc(F)c(Cl)c1)NN1CCOCC1 4801913 KZEMGIAVQPLVLS-UHFFFAOYSA-N 288.706 1.221 0 50 CDAA C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)[C@H]1CC1(C)C 225611871 KRVUZBRCNFMMSX-QJPTWQEYSA-N 274.430 1.435 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2cccnc2)[C@H]2C=C[C@H]1C2 100001669 HXPMRMUNVRANRB-CYDGBPFRSA-N 272.304 1.221 0 50 CDAA CN1CCOc2ccc(NC(=O)[C@@H]3CC[C@@H](N)C3)cc21 246176257 BOVITEVHHRWNJX-GHMZBOCLSA-N 275.352 1.581 0 50 CDAA CCC(=O)c1ccc(OCC(=O)N[C@H](CO)C(C)C)cc1 55325199 ZFIIKPKDJLSRSE-CQSZACIVSA-N 293.363 1.791 0 50 CDAA CC[C@@H]1NCC[C@H]1NC(=O)c1ccc(C(=O)O)cc1 630574572 FVCONKAJVKAXFR-NWDGAFQWSA-N 262.309 1.255 0 50 CDAA CN(C)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 109840237 AGLUMLOHMQEDNA-CYBMUJFWSA-N 289.445 1.133 0 50 CDAA NCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 67893992 AAHBNLNAKJDUTM-UHFFFAOYSA-N 293.273 1.727 0 50 CDAA O[C@@]1(CN2CCC(F)CC2)CCCN2CCCC[C@@H]21 63883230 DVFRBCNXUASXEE-HUUCEWRRSA-N 270.392 1.800 0 50 CDAA CCCn1nccc1C(=O)NC[C@@H]1CCCN(CC)C1 67673218 BUMNZRLQQAFOFZ-ZDUSSCGKSA-N 278.400 1.755 0 50 CDAA OCC1(CNC2CCC3(CCNCC3)CC2)CCOCC1 67967345 OHOPHISOCHAOED-UHFFFAOYSA-N 296.455 1.678 0 50 CDAA CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 229285311 SRWLWADSRBOZCQ-HUUCEWRRSA-N 280.412 1.816 0 50 CDAA Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)O 252646636 SCTNJWZDKOSORY-LQQYEPNUSA-N 252.270 1.189 0 50 CDAA N=C(N)NCc1cccc(I)c1 1538318 PDWUPXJEEYOOTR-UHFFFAOYSA-N 275.093 1.274 0 50 CDAA biogenic,world CC(C)(C)OC(=O)NCC(O)CNC(=O)OC(C)(C)C 1634812 ZQIPILTVJGFFID-UHFFFAOYSA-N 290.360 1.397 0 50 CDAA COc1cccc2c(=O)n(Cc3n[nH]c4c3CCC4)cnc12 32541432 ANFHUVIPMHBNEE-UHFFFAOYSA-N 296.330 1.665 0 50 CDAA Cc1ccc(-c2ccnc(N[C@H]3CCCNC3=O)n2)c(C)n1 71752259 BJBFBVVQJFFGFY-AWEZNQCLSA-N 297.362 1.846 0 50 CDAA CN1CC[C@@H](CN[C@@H]2CCCOC2)[C@@H]1c1cccnc1 328633149 LTNUODZDZSBWRK-XHSDSOJGSA-N 275.396 1.843 0 50 CDAA Cc1cc2c(N3CC[C@@](C)(C(=O)O)C3)nccn2n1 128782634 BAKQSRVSWKTDQR-CYBMUJFWSA-N 260.297 1.339 0 50 CDAA Cn1ccs/c1=N\C(=O)c1snc(O)c1Cl 253405762 QGDRYIDGOGKOGI-NTMALXAHSA-N 275.742 1.643 0 50 CDAA Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cn1 367368281 RXQLQGRMAPOWIY-HRCADAONSA-N 299.374 1.243 0 50 CDAA CO[C@@H]1CCCN(Cc2cnc(-c3cnn(C)c3)nc2)C1 368438875 OTUGHJBYRUYVKF-CQSZACIVSA-N 287.367 1.488 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CCCN2)C[C@H](c2ccsc2)O1 261645520 GSNUYALSQAVKHS-RAIGVLPGSA-N 280.393 1.789 0 50 CDAA COc1ccc([C@H](NC(=O)C(=O)O)C2CCOCC2)cc1 368627562 XEXSEPOWIJCKFM-ZDUSSCGKSA-N 293.319 1.364 0 50 CDAA CC1(C)C[C@@H](NC(=O)CCC(=O)O)c2cc(N)ccc2O1 261726269 QPNXOPCNFBCYDA-LLVKDONJSA-N 292.335 1.852 0 50 CDAA CCc1nc2c(N3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)ncnc2o1 72144632 JRHWAMKKJGSOGZ-CKIJPRSSSA-N 286.335 1.794 0 50 CDAA CN(CC(=O)O)[C@@H]1CCN(c2ccccc2Cl)C1=O 237183545 NJYZDPLGLBWXBW-LLVKDONJSA-N 282.727 1.462 0 50 CDAA COc1ncccc1Cn1cnc2sccc2c1=O 447286332 FEWQWZPRZTUWSF-UHFFFAOYSA-N 273.317 1.910 0 50 CDAA C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)C(=O)O 237610649 LOQCKCBNGHFSSK-GXSJLCMTSA-N 290.319 1.167 0 50 CDAA COC[C@@H](NC(=O)c1ccncc1)c1ccccn1 219079012 QGSVWMHNPRYQBZ-CYBMUJFWSA-N 257.293 1.594 0 50 CDAA CCn1ncnc1CN1CCC[C@@H]1c1nc(N(C)C)no1 374555277 CIZNICSRJFWRGP-SNVBAGLBSA-N 291.359 1.084 0 50 CDAA CC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)ccc1F 334411207 KDAPQNIMPXMJHG-SECBINFHSA-N 278.283 1.445 0 50 CDAA CO[C@@H](CNC(=O)N(C)Cc1nnc[nH]1)c1ccccc1 284111160 PFRSVZBKKQZRPD-LBPRGKRZSA-N 289.339 1.334 0 50 CDAA OCC(CO)N1CCC[C@H](CCc2ccccc2F)C1 71707807 AGORSBWBZHMRIL-CYBMUJFWSA-N 281.371 1.824 0 50 CDAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1nonc1C 77304001 MSMIGMXZRAKZJX-SNVBAGLBSA-N 281.312 1.326 0 50 CDAA CN(C(=O)c1ncccc1O)[C@@H]1CCCc2c1cnn2C 132755750 WDRWTUINVSIBCC-LLVKDONJSA-N 286.335 1.670 0 50 CDAA CC[C@@H]1[C@@H](Nc2cncc(C(=O)O)n2)[C@@H]2CCO[C@@H]21 223635630 HKWPEQPBMDJYFO-IWXIMVSXSA-N 263.297 1.400 0 50 CDAA C[C@H]1COCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 336492285 WZIGSPXTXLUYOF-CYBMUJFWSA-N 285.347 1.981 0 50 CDAA CCOc1ccccc1CCC(=O)N(C)[C@H]1CCNC1 179081071 VVDGUGNKUVUDRD-AWEZNQCLSA-N 276.380 1.838 0 50 CDAA CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ocnc1C 1364412582 XTROXTLLYIUYSX-GFCCVEGCSA-N 279.340 1.294 0 50 CDAA Cn1cc(-c2nc([C@@H]3CCC(F)(F)C3)no2)nn1 289027686 GBFRELQGWPWEMD-ZCFIWIBFSA-N 255.228 1.768 0 50 CDAA COc1ccc2oc(CNC(=O)c3cnc[nH]3)nc2c1 223593812 LXGMCENUEGJTDP-UHFFFAOYSA-N 272.264 1.490 0 50 CDAA Cn1nncc1CC(=O)N1CCC[C@@]1(C)Cc1ccccc1 613574243 LZYNPAVEQYCQIG-KRWDZBQOSA-N 298.390 1.981 0 50 CDAA O=C(CCc1c[nH]cn1)N[C@@H]1COc2ccc(F)cc2C1 290677837 OYNVSEAYQHRDSG-ZDUSSCGKSA-N 289.310 1.601 0 50 CDAA CC(=O)C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C 82097170 PMUZVAXBZCCQKS-NSHDSACASA-N 274.320 1.148 0 50 CDAA O=C1C[C@H](NC(=O)N2CCCC2)c2ccccc2N1 426662217 MDLBDJQXRFHBKB-LBPRGKRZSA-N 259.309 1.875 0 50 CDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1nccn1C 221266987 CUPIWVMTPBQQNS-OLZOCXBDSA-N 293.367 1.290 0 50 CDAA NC[C@H]1CCN(C(=O)COc2ccccc2F)C1 178556558 QSSWKSDBBDWJSH-SNVBAGLBSA-N 252.289 1.012 0 50 CDAA COCCCSc1nnc([C@H]2CCCNC2)n1C 426537493 MWUKSFCLPNBSBG-JTQLQIEISA-N 270.402 1.411 0 50 CDAA CCC[C@@]1(C(=O)O)CCCN(C(=O)C2(C)COC2)C1 91849394 UEWRRDJCLUOQJY-CQSZACIVSA-N 269.341 1.516 0 50 CDAA O=C(NCc1cccnc1)c1cccc(-c2nc[nH]n2)c1 97773186 BKTRJXQORZTZLA-UHFFFAOYSA-N 279.303 1.797 0 50 CDAA CN(C[C@H]1COCCO1)C(=O)NCc1ccccc1F 426575013 LWYNRYFPDMKYQI-LBPRGKRZSA-N 282.315 1.383 0 50 CDAA CC(C)(C)c1cc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)[nH]n1 426518290 IORBVYPWEGTPKE-KPWCQOOUSA-N 274.412 1.889 0 50 CDAA Cc1cc(C)cc(N2CCN(c3nccc(N)n3)CC2=O)c1 95522653 NLOTZNWSRJWLDK-UHFFFAOYSA-N 297.362 1.529 0 50 CDAA O=C(Nc1ccc(F)nc1)N[C@H]1COC[C@@H]1N1CCCC1 96153272 YQRIMZYIGVKQEF-RYUDHWBXSA-N 294.330 1.205 0 50 CDAA Cc1nc(NCc2nc[nH]c2C)c2cnn(C)c2n1 95382143 YIDQMPYTBGHUNB-UHFFFAOYSA-N 257.301 1.315 0 50 CDAA O=C(c1cncc(O)c1)N1CC[C@H](O)C12CCCC2 294311428 VGUCDGHRYLZBNL-LBPRGKRZSA-N 262.309 1.307 0 50 CDAA CCN(CC)C(=O)CN(C)[C@H](C)c1ccncn1 244734885 NNLUJHFECUOACN-LLVKDONJSA-N 250.346 1.338 0 50 CDAA C[C@@H]1CCC[C@H](OCC(=O)N2CCO[C@@H](CC(=O)O)C2)C1 299741998 APJFULNBRRAZHN-AGIUHOORSA-N 299.367 1.284 0 50 CDAA Cn1nccc1[C@@H](CO)NC(=O)CC1CCCC1 622693350 GBZSGBDESMDLPO-LLVKDONJSA-N 251.330 1.150 0 50 CDAA CCCc1ncncc1C(=O)N[C@H](CC)[C@H]1C[C@H](O)C1 244724520 MVUWPDWFPCHAEN-NQBHXWOUSA-N 277.368 1.708 0 50 CDAA Cc1nnc(CN2CCC(N3CCSCC3)CC2)o1 244884382 YLKMRSOFWONFIT-UHFFFAOYSA-N 282.413 1.391 0 50 CDAA COc1ccc([C@H](C)C(=O)N2CCO[C@@H](C(=O)O)C2)cc1 299741991 AOSPJJPJPFURBG-GXFFZTMASA-N 293.319 1.111 0 50 CDAA O=C(O)CCC1CCN(c2nc(C(=O)O)co2)CC1 534591404 IRDISUGZCBZQFE-UHFFFAOYSA-N 268.269 1.454 0 50 CDAA CNc1ncccc1CN1CCC(C)(C(=O)O)CC1 534667743 RLAUAYXGAOWVMN-UHFFFAOYSA-N 263.341 1.810 0 50 CDAA O=C(NCC1(C(=O)O)CC1)C1=Cc2ccccc2OC1 263459864 PTEXZZCFGHCNEO-UHFFFAOYSA-N 273.288 1.443 0 50 CDAA CC[S@@](C)(=O)=NC(=O)c1cc(C(C)C)nn1C 925838097 VNZBAHGVUXKKHK-QGZVFWFLSA-N 257.359 1.801 0 50 CDAA COc1ccc(OCCCN(C)Cc2nncn2C)cc1 286723301 GMNXWIWBLXPLIG-UHFFFAOYSA-N 290.367 1.725 0 50 CDAA CCCc1cc(C(=O)NC[C@@H](C)CN(C)C)n[nH]1 644810281 FFODGLXHEWGFGY-SNVBAGLBSA-N 252.362 1.290 0 50 CDAA COc1ccccc1Cc1nc(CNC2CC2)n[nH]1 824821919 ZTFAYMJJEUDFNF-UHFFFAOYSA-N 258.325 1.656 0 50 CDAA Cn1ncnc1CCn1cnc2c(Cl)cccc2c1=O 584889395 UFWWDTVTBCRJFP-UHFFFAOYSA-N 289.726 1.421 0 50 CDAA CCC1CCN(CCNC(=O)C[C@@H]2CCOC2)CC1 670470906 JYPHSBVAYUIXEG-AWEZNQCLSA-N 268.401 1.651 0 50 CDAA CC(C)Cc1n[nH]c(CCN2CCCCC2=O)n1 670469505 WKKFBFWZHDSPLI-UHFFFAOYSA-N 250.346 1.558 0 50 CDAA CN1C(=O)[C@H](NC(=O)Nc2ccncn2)Cc2ccccc21 1414445033 YJFBDTDJLVILNH-LLVKDONJSA-N 297.318 1.186 0 50 CDAA Cc1ccn2ncc(C(=O)N3C[C@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)c2n1 1358266767 FZRGQLKFQWRMCS-XJFOESAGSA-N 296.330 1.063 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CNC2(CCOCC2)C1 1535639565 NTVMDPWQPMIUAO-JTQLQIEISA-N 256.346 1.422 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccccc1C(C)=O 1565516458 CQBKZDUVUKCLBS-KBPBESRZSA-N 277.320 1.423 0 50 CDAA O[C@@H]1CN(Cc2ccccc2Cn2cccn2)C[C@H]1F 952967173 JTWWDYDRVLLYSN-HUUCEWRRSA-N 275.327 1.446 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCCc1ccnn1C 408474287 OGPAUBDAHJFRPG-KBPBESRZSA-N 279.384 1.530 0 50 CDAA COCCN(Cc1ccccc1)c1nc(N)nc2nc[nH]c12 133513904 PDQHUYOFVOVVPS-UHFFFAOYSA-N 298.350 1.588 0 50 CDAA COc1cc2nc(CCC(N)=O)cc(C)c2cc1OC 82781264 SJLQUMCDJLFSEP-UHFFFAOYSA-N 274.320 1.978 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)N=c1cc[nH]cc1 1579291682 ONFUFTXNVUXXIU-INIZCTEOSA-N 283.331 1.251 0 50 CDAA O=C1CCCN1[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 276690057 HBHMMXRAEZYSIY-SNVBAGLBSA-N 271.324 1.159 0 50 CDAA O=C([C@@H](O)C1CCC1)N1CCC[C@H](CCO)CC1 515053145 ZYOMDTOKGMYDDE-AAEUAGOBSA-N 255.358 1.159 0 50 CDAA CN(Cc1cscn1)C(=O)Nc1ccnn1C 170084811 NNFKFRACSGEWAQ-UHFFFAOYSA-N 251.315 1.541 0 50 CDAA C[C@@H]1CN(C(=O)Nc2ccc(Cl)cn2)C[C@@H](CO)O1 190831103 ROMHWOJUYGRDGR-SCZZXKLOSA-N 285.731 1.349 0 50 CDAA COC(=O)[C@@H](NCc1cc(C)cc(C)c1)[C@H](C)O 191962762 HQYZCXMRARXUTM-AAEUAGOBSA-N 251.326 1.315 0 50 CDAA Cc1nc(-c2cccc(NC(=O)C3=COCCO3)c2)n[nH]1 194361569 XCTOPFLRSJBVAQ-UHFFFAOYSA-N 286.291 1.607 0 50 CDAA CN(Cc1ccccc1C(F)(F)F)C[C@@](C)(O)C(=O)O 652385666 MOMHSXWTBPWNOF-GFCCVEGCSA-N 291.269 1.973 0 50 CDAA Cc1cc(COC(=O)c2nnc(O)c3ccccc23)on1 749335263 MXPCBMPWCCMZCS-UHFFFAOYSA-N 285.259 1.989 0 50 CDAA C[C@@H]1NCC[C@@H](C)[C@H]1NC(=O)c1ccc(C(=O)O)cc1 570098403 QOPSOPJIIJCJBY-GBIKHYSHSA-N 276.336 1.501 0 50 CDAA Cn1nncc1CC(=O)N1CC[C@@H](Cc2ccccc2)C1 669137146 UQXZBWQNHYBHHU-AWEZNQCLSA-N 284.363 1.449 0 50 CDAA CSC[C@H](C)C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1 585131129 MNBJIPGAYMCWEQ-CMPLNLGQSA-N 294.424 1.928 0 50 CDAA CCn1c(C(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1615540764 VRSPDPVGYRHCSH-JTQLQIEISA-N 265.361 1.088 0 50 CDAA O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCSC1=O 182306 PMARQFGAMVHOIN-YWNRKNDBSA-N 291.328 1.577 0 50 CDAA COCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2)cc1C 1506396186 QCODQYCPPPKTIT-ZDUSSCGKSA-N 291.351 1.270 0 50 CDAA COCCn1ccnc1CN(C[C@H]1CCC(=O)N1)C(C)C 1506398049 SWLBFYVVGHDPQI-CYBMUJFWSA-N 294.399 1.019 0 50 CDAA COc1ccc(C(=O)NC2(C(=O)O)CC2)cc1F 203661229 UERXAHRMKNSRMM-UHFFFAOYSA-N 253.229 1.181 0 50 CDAA Cc1ncccc1CN(C)C[C@@H]1CCCN(CCO)C1 1529191359 XJAYMIQEUXRRMP-HNNXBMFYSA-N 277.412 1.526 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2O)on1 1529160055 XFIIFCMTDIDTBL-OCCSQVGLSA-N 278.352 1.535 0 50 CDAA Cc1ccc(CNC(=O)N(C)CC2(O)CCOCC2)s1 225436301 XFFHKWCNVGMHGG-UHFFFAOYSA-N 298.408 1.739 0 50 CDAA CCOC[C@@H](O)CSc1nnc(C)n1C(C)C 225570920 UTMXMQOLLOXDMZ-SNVBAGLBSA-N 259.375 1.657 0 50 CDAA OC[C@@H]1CN(Cc2cc(F)c(F)c(F)c2)CC[C@@H]1O 335633177 KPPKQRQIQMLMDJ-CABZTGNLSA-N 275.270 1.279 0 50 CDAA CCN(Cc1nc(N(C)C)no1)[C@H]1CCOC(C)(C)C1 351917909 FOVQUCMTXPQTPW-NSHDSACASA-N 282.388 1.915 0 50 CDAA C[C@@H](C(=O)NCc1ccccc1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800414617 VIRVVVRHEGOIDJ-ARLBYUKCSA-N 288.391 1.394 0 50 CDAA COc1cccc(F)c1CN(CCO)Cc1cnc(C)[nH]1 1704314158 QOLHISDTKZIYOX-UHFFFAOYSA-N 293.342 1.860 0 50 CDAA COc1nc(NCCc2nc(C(=O)O)cs2)ncc1F 1772701684 OUHGDVJOLGTNTF-UHFFFAOYSA-N 298.299 1.434 0 50 CDAA Cc1cc(F)ccc1NC(=O)CN1C[C@H]2C[C@H](O)[C@H]2C1 1772710602 YHLNZSCXCAZKAL-OSMZGAPFSA-N 278.327 1.385 0 50 CDAA COc1ccc(CN(C)C[C@@H]2CCC(=O)N(C)C2)cc1 1775982744 DIMCDYRUGKEQSC-AWEZNQCLSA-N 276.380 1.995 0 50 CDAA O=C(Cn1cnc2ccccc2c1=O)N1CCCC1 5306350 ZBCYKDBWXUDGID-UHFFFAOYSA-N 257.293 1.019 0 50 CDAA O=S(=O)(Cc1ccc(F)cc1)NCc1ccccn1 16579004 ZRGLIECLQSHAIA-UHFFFAOYSA-N 280.324 1.840 0 50 CDAA CNC(=S)N1CCN(C/C=C/c2ccccc2)CC1 2582402 KNWFGNXJHDINJW-VMPITWQZSA-N 275.421 1.822 0 50 CDAA O=C(O)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 1799937 GKZSXWLBIDINFJ-WEVVVXLNSA-N 281.264 1.947 0 50 CDAA CCn1cnnc1CCN=c1c(F)c[nH]cc1Cl 1857530330 JKCGQIPYTCLIKD-UHFFFAOYSA-N 269.711 1.562 0 50 CDAA CN(Cc1ccccc1N1CCCC1)C(=O)C1(N)CC1 237159992 NKXJAKSMFONIJQ-UHFFFAOYSA-N 273.380 1.737 0 50 CDAA COc1c(C)cc(CN(C)C(=O)[C@H]2COCCN2)cc1C 237128236 NHIZCXWIVSLVOY-CQSZACIVSA-N 292.379 1.259 0 50 CDAA Cc1nccc(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)n1 328608752 BEBIRTVSZGGFPY-DGCLKSJQSA-N 263.341 1.576 0 50 CDAA 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COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](C)CSC 565741613 AHYISPNDHQCHJT-PWSUYJOCSA-N 296.392 1.281 0 50 CDAA Fc1cccc(-c2nnn(CCCN3CCOCC3)n2)c1 195335838 WKYPNXZCGZVPKY-UHFFFAOYSA-N 291.330 1.202 0 50 CDAA Cc1ccc(OCCNc2nc(N)nc3c2cnn3C)cc1 656105108 KGPICMCIQIDHNR-UHFFFAOYSA-N 298.350 1.745 0 50 CDAA Cc1nccc(C(=O)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)n1 598765247 SAMLAWDBAOGUQX-BFKGZMGPSA-N 281.381 1.205 0 50 CDAA COc1cc(C)c(NC(=O)[C@](C)(OC)C(=O)O)cc1F 663052866 XYTMLSJTCFTLDO-ZDUSSCGKSA-N 285.271 1.571 0 50 CDAA CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1CC[C@@H](CO)CC1 585132260 RMVQFHAEKQRYIB-XQQFMLRXSA-N 268.401 1.527 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@@H]1C(F)(F)F 585125857 HOEACXRYPKHJEE-ATZCPNFKSA-N 297.273 1.318 0 50 CDAA C=CC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 585124894 YOILHASAPDHPHH-ZDUSSCGKSA-N 280.755 1.847 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cc[nH]n1 679549178 MMJBWJRAANUDLT-WCQGTBRESA-N 292.339 1.337 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1[C@@H](CO)CC[C@@H]1CO 1615051251 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MBFKQAZCRDNBPB-HNNXBMFYSA-N 280.343 1.241 0 50 CDAA CN1C(=O)N[C@@H](Cc2c[nH]c3c(Cl)cccc23)C1=O 13983472 WIKGAEMMNQTUGL-JTQLQIEISA-N 277.711 1.914 0 50 CDAA in-vitro O=C1CCC(=O)N1CN1CCN(c2ccccc2F)CC1 19349922 GYUVXCKCOVLZET-UHFFFAOYSA-N 291.326 1.054 0 50 CDAA CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccncc2C1=O 19701915 ILFJDGIIVXIPLQ-JTQLQIEISA-N 262.265 1.177 0 50 CDAA COCC(C)(C)C(=O)NC[C@@H](O)c1ccccc1C 157378016 YIHWZCJYKHMCPB-CYBMUJFWSA-N 265.353 1.817 0 50 CDAA CCC[C@@]1(CO)CN(c2ccc(C(C)=O)cn2)CC[C@@H]1O 1857718399 HTFRBNYMNKGYAS-HOCLYGCPSA-N 292.379 1.634 0 50 CDAA CCCc1nc(C(=O)N2CC[C@@H]3CNC[C@@H]3CC2)co1 638249721 WIXCRFQGTFFJKD-TXEJJXNPSA-N 277.368 1.699 0 50 CDAA CC[C@@H](C)CC(=O)N1CCN([C@H](C)C(=O)NC(C)C)CC1 225629788 CCJDANGJZKDFFN-ZIAGYGMSSA-N 297.443 1.480 0 50 CDAA Nc1ccc(C(=O)O)cc1I 1760332 FPLDDZRJTOXFCB-UHFFFAOYSA-N 263.034 1.572 0 50 CDAA in-vitro COc1ccc2c(c1)OCC(C(=O)N1CC[C@H](N)C1)=C2 237527057 QWJRQRPUYNRJBT-LBPRGKRZSA-N 274.320 1.031 0 50 CDAA CC1(C)COc2ccc(C(=O)N3CCC[C@H](O)C3)cc21 334574964 OWSAPCWWBJJZNR-LBPRGKRZSA-N 275.348 1.954 0 50 CDAA C[C@H](CO)NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 252486969 PYYHAKKDLJSKIU-HONMWMINSA-N 296.342 1.726 0 50 CDAA C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H](C)C1CCC1 253369832 IOMJGEZBQRFHJX-LOWVWBTDSA-N 270.373 1.356 0 50 CDAA Cc1cc(N2CC[C@](C)(C(=O)O)C2)nc(C2CC2)n1 263410649 MGIBFAYLNARGHV-AWEZNQCLSA-N 261.325 1.963 0 50 CDAA C[C@@H]1C(=O)N(c2nc3n(n2)CCCC3)C(=O)N1C1CCC1 900264279 FERDXBCSXVEDDU-SECBINFHSA-N 289.339 1.324 0 50 CDAA COc1ccc(O)cc1CN1C[C@H]2COC[C@@H]1CN(C)C2 1704311902 WJMTUKJASNDHFZ-JSGCOSHPSA-N 292.379 1.163 0 50 CDAA Cc1cccc([C@H](NC(=O)[C@H](O)C(C)C)C(=O)O)c1C 909797194 SDEXAGDHFFZXJT-QWHCGFSZSA-N 279.336 1.562 0 50 CDAA Cc1c(-c2cc(CN(C)C[C@H](C)N)on2)cnn1C 863569256 SXEQQFCMDKQHKL-VIFPVBQESA-N 263.345 1.163 0 50 CDAA CC(=O)N[C@@H]1CCC[C@@H]1Cn1cc(CC2(O)CCC2)nn1 952889455 DYFQSSWOFJZMIZ-TZMCWYRMSA-N 292.383 1.040 0 50 CDAA CCc1[nH]nc(C(=O)NCCc2ccc(O)nc2)c1Cl 1875266979 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c1ccc(CCc2noc([C@]34CNC[C@H]3CCOC4)n2)cc1 899994032 QTSWRUJQFGDMGW-PBHICJAKSA-N 299.374 1.732 0 50 CDAA CC(=O)c1cccc(NC(=O)CN2CCOCC2)c1 20310986 URHDDKGMGMKRGK-UHFFFAOYSA-N 262.309 1.160 0 50 CDAA OCCOCCN1CCN(C2CCCCCC2)CC1 22027704 IXRKNVDPRDERBK-UHFFFAOYSA-N 270.417 1.336 0 50 CDAA CNC[C@@H]1CCN(C(=O)CCOc2ccccc2F)C1 178977792 KNYWCXSVLMERAA-LBPRGKRZSA-N 280.343 1.663 0 50 CDAA CS(=O)(=O)N1CC[C@@H](Nc2ncnc3sccc23)C1 400255056 FELBWRJTAQHCLI-MRVPVSSYSA-N 298.393 1.137 0 50 CDAA Cc1cnc(C(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)cn1 379285598 SMNGPFBTCRHFJI-WCBMZHEXSA-N 288.273 1.279 0 50 CDAA CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccn2nccc2c1 2325780462 IZXLZWSAJFSHHE-CQSZACIVSA-N 286.379 1.937 0 50 CDAA COCC1(C(=O)N2CC[C@@H]2Cc2ccccc2)COC1 2325811864 GDISALFNLKCHNB-CQSZACIVSA-N 275.348 1.493 0 50 CDAA NC(=O)[C@H]1CCN(c2cc(C3CC3)nc(C3CC3)n2)C1 892339273 FWYKEJKJQLXYSB-NSHDSACASA-N 272.352 1.543 0 50 CDAA COc1cc(C(CC(=O)O)CC(=O)O)cc(OC)c1OC 100034 XLJDNPGZFKBWJE-UHFFFAOYSA-N 298.291 1.745 0 50 CDAA Cc1cc(C)n(-c2cc(N3CCOCC3)nc(C)n2)n1 209627 BPEWWKMBPYIGFO-UHFFFAOYSA-N 273.340 1.424 0 50 CDAA O=C1C[C@@H](C(=O)Nc2ncccn2)[C@@H](c2ccccc2)O1 313059 QGDNUGMTWCNSPM-DGCLKSJQSA-N 283.287 1.720 0 50 CDAA CCCCNC[C@H](O)Cn1c(=O)sc2ccccc21 2496770 SXYOVIRNAGZSOM-NSHDSACASA-N 280.393 1.814 0 50 CDAA Cc1ncsc1C(=O)N1CCC[C@@]12CCCN(C)C2=O 2356151706 UYVMSOFIIITWLC-CQSZACIVSA-N 293.392 1.679 0 50 CDAA Cc1nc(C)c(-c2nnc3n2[C@@H](C)C(=O)N(C)[C@H]3C)o1 2356161544 ZJYFMIMVBDISRU-YUMQZZPRSA-N 275.312 1.644 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)c(C)c1 4731500 VXWYAWUOLFPCNW-LBPRGKRZSA-N 299.334 1.725 0 50 CDAA COc1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 7652230 XMAOYIMSUNNQCY-UHFFFAOYSA-N 295.302 1.923 0 50 CDAA Cc1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1F 133404577 XIWFWUSMTKXMAZ-SNVBAGLBSA-N 289.314 1.862 0 50 CDAA O=S(=O)(NC[C@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 225244313 QPIBIYFUUBTYFB-SDDRHHMPSA-N 258.387 1.353 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2nnc(C)s2)no1 225836675 URRMBZJJDFSKLO-SCSAIBSYSA-N 253.287 1.029 0 50 CDAA O=c1[nH]cnc2c1C(c1ccccc1)c1c(nc[nH]c1=O)O2 9186953 UDZRRRRTMBRJHA-UHFFFAOYSA-N 294.270 1.139 0 50 CDAA O=C(COCCOc1ccccc1)N1C[C@@H](F)C[C@H]1CO 347432598 GWVMYQXSBPPXIX-STQMWFEESA-N 297.326 1.013 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2cn3ccsc3n2)[nH]n1 67787659 VNZGMPHMQBZELV-MRVPVSSYSA-N 289.364 1.788 0 50 CDAA CCOC(=O)Nc1cccc(NC(=O)OCC)[n+]1[O-] 5325902 DCGLGXUKOGQAQF-UHFFFAOYSA-N 269.257 1.457 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 249617858 TXORBKBIQNXEBU-FPMFFAJLSA-N 291.322 1.937 0 50 CDAA CCNC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O 67612720 BKMGCNXDSBYGBR-VIFPVBQESA-N 288.344 1.116 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(CCCCc2ccccc2)C1 65504985 REZMQQALTMSHBN-CYBMUJFWSA-N 261.321 1.942 0 50 CDAA CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1CNC(=O)C1 330734117 LESKDSVMQOWQJX-SNVBAGLBSA-N 296.754 1.502 0 50 CDAA CC[C@H]1[C@H](NC(=O)Cc2cc(C)no2)[C@H]2CCO[C@@H]12 1074552333 QMZXVRCQDKJGDY-XCCSTKFXSA-N 264.325 1.455 0 50 CDAA Cc1nnc(NC(=O)N[C@H]2CCN3CCCC[C@@H]23)s1 229194063 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272.308 1.830 0 50 CDAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H]4C[C@@H]3CO4)[C@@H]2C1 1875305414 CZWCKWUTJYXFPW-GDJPEOAQSA-N 293.363 1.417 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@@H]1OCCc2ccsc21 1875379887 YXRUWILJRMTICH-PCAWENJQSA-N 280.393 1.596 0 50 CDAA CN(C)C/C=C/C(=O)NC1CC(CC(F)(F)F)C1 1875376847 KLSUKHLXHDFHKM-ONEGZZNKSA-N 264.291 1.951 0 50 CDAA COCCCNC(=O)[C@H](C)Oc1ccc(C)cc1 33763909 FRZMHBOBLCYKEX-LBPRGKRZSA-N 251.326 1.915 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1c(C)c(C)cc(C)c1C 11566165 RHDUGKXAATUHCQ-ZDUSSCGKSA-N 285.409 1.969 0 50 CDAA C=CC(=O)N1CCN(c2c(F)cccc2OC)CC1 888098787 PNYORMXCJGROKN-UHFFFAOYSA-N 264.300 1.669 0 50 CDAA O=C(CCn1cncn1)N1CC[C@H](C(F)(F)F)C1 888004383 OYIUDSSNRLJZEM-QMMMGPOBSA-N 262.235 1.079 0 50 CDAA CCC(=O)N1CC[C@H](Nc2ncnc3[nH]cc(CC)c23)C1 892930325 XQZWSOVXWCFWDZ-NSHDSACASA-N 287.367 1.943 0 50 CDAA Cc1nc([C@@H]2CCCCN2C(=O)c2nccnc2C)n[nH]1 1775988038 KBWVVEBQEKRGLJ-NSHDSACASA-N 286.339 1.579 0 50 CDAA C=CC(=O)N1CCCC[C@@H]1c1n[nH]cc1C(=O)N(C)C 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CC(F)(F)C1(C(=O)N[C@H]2CCNC23CCC3)CC1 1332961862 POSNGCHGLUBPMM-VIFPVBQESA-N 258.312 1.823 0 50 CDAA O=C(Cc1nc(-c2ccncc2)n[nH]1)NCc1cccnc1 12421801 KPSBMZBUVJSLLV-UHFFFAOYSA-N 294.318 1.121 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)CCCCCF)C[C@H]1C(F)F 2325779185 NDORWRQMKRWJEN-RKDXNWHRSA-N 281.274 1.941 0 50 CDAA CC1(C)C[C@@H](CC(=O)NCc2cncc3c2CCC3)CN1 2325789405 NYRFTMGIMFGDIA-GFCCVEGCSA-N 287.407 1.965 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@H]12 248651949 VDEYYPIKJPANTB-FPMFFAJLSA-N 262.328 1.564 0 50 CDAA C[C@@]12CCCC[C@@]1(O)[N+]([O-])=C(C(=O)c1ccccc1)N2 195024 TYZOWQLJIMIXLN-CABCVRRESA-N 274.320 1.403 0 50 CDAA C[C@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O 317575 ZUEAGMUNOKBOMA-SNVBAGLBSA-N 282.365 1.120 0 50 CDAA CC(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 359981 VXJFQUDVAXHXOP-UHFFFAOYSA-N 292.408 1.271 0 50 CDAA O=C(c1ccc2nccn2c1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356157063 CRZMBVKOIVRGTC-WDNDVIMCSA-N 285.347 1.852 0 50 CDAA COCc1noc([C@H]2CCCN(C(=O)OC)C2)n1 109597615 VOFZOAXZDMNKPB-QMMMGPOBSA-N 255.274 1.162 0 50 CDAA O=C(N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(F)(F)F 4839577 MRQWFYYDOMHTFZ-BDAKNGLRSA-N 286.253 1.356 0 50 CDAA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCc1ccccn1 6698581 RAQKQVTUZDQJHY-GVOSGWPFSA-N 288.347 1.835 0 50 CDAA C[C@H](NC(=O)c1ccco1)C(=O)N1CCCCC1 6747489 UWHNVNXEQQUBOW-JTQLQIEISA-N 250.298 1.410 0 50 CDAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccoc1 112031634 BDYKHOSJQLQUED-QMMMGPOBSA-N 276.214 1.173 0 50 CDAA COC(=O)c1ccc(OC[C@H](O)CNC(C)C)cc1 26781692 IKLHTJKCEKYJKI-GFCCVEGCSA-N 267.325 1.211 0 50 CDAA in-vitro CCOC(=O)c1cnc(N2CCc3ccccc3C2)[nH]c1=O 9225339 MVNCMOKOGBSUTI-UHFFFAOYSA-N 299.330 1.509 0 50 CDAA CCCC(=O)[C@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 100319358 RIYBRKZTWIDBPE-QWRGUYRKSA-N 268.309 1.329 0 50 CDAA biogenic Cc1ccccc1N1CCCN(C(=O)[C@@H]2[C@H]3CNC[C@H]32)CC1 101969440 NASJABOYUDCQEX-QLPKVWCKSA-N 299.418 1.499 0 50 CDAA O=C(CNCc1ccoc1)NCc1ccccc1F 65407394 JAHBEJNWSCKTEY-UHFFFAOYSA-N 262.284 1.825 0 50 CDAA Cc1nn(Cc2n[nH]c(=O)n2Cc2ccco2)c(C)c1C 67946267 GHQSCQOZWADFFX-UHFFFAOYSA-N 287.323 1.383 0 50 CDAA Cc1nc(CCN)cc(N(Cc2nccn2C)C2CC2)n1 67740582 BJKSFXRMLMRAEU-UHFFFAOYSA-N 286.383 1.189 0 50 CDAA Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3C(N)=O)cc2c1 63847256 UKAIXRIMSZTZDP-OAHLLOKOSA-N 297.358 1.942 0 50 CDAA Cc1cnc(C(=O)N(C)CC(=O)c2ccc(O)cc2)cn1 67842347 NAMKPKGOEAHZAH-UHFFFAOYSA-N 285.303 1.446 0 50 CDAA CCCOCCN1CCN(c2ncnc3[nH]ccc23)CC1 65373947 WDLQIOQGRMAMEE-UHFFFAOYSA-N 289.383 1.507 0 50 CDAA Cc1cc(NC(=O)[C@@H]2OCCc3ccccc32)n(C)n1 137234994 KUCWGAIWACSWBC-CQSZACIVSA-N 271.320 1.981 0 50 CDAA Cc1nonc1NC(=O)[C@@H]1OCCc2ccccc21 138679719 HZIBBBWEGKZWHT-LLVKDONJSA-N 259.265 1.631 0 50 CDAA Cc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)O)c(C)o1 251079282 NPMGWZXQTPIMPX-WHGOUJPWSA-N 251.282 1.794 0 50 CDAA COc1cc(NC[C@]2(N(C)C)CCSC2)ncn1 65498271 ISFSUCZAOUVIKS-GFCCVEGCSA-N 268.386 1.334 0 50 CDAA Cc1nnnn1-c1cccc(O[C@@]23CCCN(CC2)C3)c1 67514488 NLCGCLBCCJNRKM-HNNXBMFYSA-N 285.351 1.588 0 50 CDAA Cn1ccc(CSCCc2cnccn2)cc1=O 601050677 QLTMQWNNZMDNEY-UHFFFAOYSA-N 261.350 1.651 0 50 CDAA CC(C)(CO)NC(=O)c1cnc(-c2ccccc2)nc1 65424709 DPMAPTNKPFGSGK-UHFFFAOYSA-N 271.320 1.644 0 50 CDAA C[C@@H](O)CNc1nc2ccccc2n1CCC1OCCO1 120116781 YLVANMZQXAHCTL-LLVKDONJSA-N 291.351 1.592 0 50 CDAA COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1OC 139012 VVYKDOVBUSRSCZ-KCJUWKMLSA-N 269.322 1.492 0 50 CDAA biogenic Cc1cc(C)n([C@@H]2CCN(C(=O)c3cn[nH]c3)C2)n1 215828099 UDBAWTHNNIYKRB-GFCCVEGCSA-N 259.313 1.310 0 50 CDAA Cc1cc(O)nc(CNC(=O)c2oc(C(C)C)nc2C)n1 1363774755 XFQHPJFEZKIEOA-UHFFFAOYSA-N 290.323 1.840 0 50 CDAA CC(C)c1cc(N2CCC(N)CC2)n2nccc2n1 72476053 VWWUISCSCVKIGN-UHFFFAOYSA-N 259.357 1.780 0 50 CDAA CC[C@@H](CC(F)(F)F)N1C(=O)N[C@@H](CC(=O)OC)C1=O 431717643 ZXFZLTNOCBMCLC-BQBZGAKWSA-N 296.245 1.201 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](C)n1cccn1 253375903 RIJSKECRKBTQOE-RRFJBIMHSA-N 290.411 1.919 0 50 CDAA Cn1nnnc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O 331478781 BXZYKRILTSJVJC-OUCADQQQSA-N 279.388 1.116 0 50 CDAA Cc1nc([C@H]2CCCCN2C(=O)c2cn(C)cn2)no1 363161932 CZNMVICOQAQMPN-LLVKDONJSA-N 275.312 1.479 0 50 CDAA Cn1ncc2c(N3CC[C@@H](O)C3)nc(C3CCCC3)nc21 72407542 WKGVDOQHYITDLG-LLVKDONJSA-N 287.367 1.592 0 50 CDAA CC[C@H](C(=O)O)N(C)Cc1ccc(S(C)(=O)=O)cc1 261580072 FDHOVJRNKONXOH-GFCCVEGCSA-N 285.365 1.385 0 50 CDAA O[C@@H]1CCC[C@H]1N=c1nc(C2CCCC2)[nH]s1 333661731 LQCPJOYMCSDAOC-NXEZZACHSA-N 253.371 1.943 0 50 CDAA C[C@@H]1CCC[C@H](OCC(=O)NC[C@@H]2CCCCN2)C1 237359385 HJKXOFFQOIDREO-RDBSUJKOSA-N 268.401 1.840 0 50 CDAA CC1(C(=O)N[C@@H]2CCOc3c(F)cccc32)CNC1 333796049 GZUUVVZTZAPKJP-LLVKDONJSA-N 264.300 1.375 0 50 CDAA COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCC(=O)O)c1 263138296 MHMCKWLTVOCJNS-MWLCHTKSSA-N 279.292 1.008 0 50 CDAA COCC[C@H](NC(=O)c1cc(C)n(C(C)C)c1C)C(=O)O 262307600 PAYXWMKPHXHKDT-ZDUSSCGKSA-N 296.367 1.905 0 50 CDAA CC(C)n1cc(C(=O)NCCSc2nccn2C)cn1 77284753 FGLFGBCXHBIMFL-UHFFFAOYSA-N 293.396 1.720 0 50 CDAA O=C(O)CN1CCC[C@H]1c1cccc2c1OCCO2 238156332 BQQRPLAKOCHSFF-NSHDSACASA-N 263.293 1.679 0 50 CDAA O=C(N=c1cc[nH]cc1)N1CCC[C@@H]1[C@H]1CCCOC1 335394038 GMADRCMARLGLCD-GXTWGEPZSA-N 275.352 1.926 0 50 CDAA CN1CCN(C(=O)CCc2ccn(C)n2)Cc2ccccc21 339862846 XRIJAHVFCXRHBN-UHFFFAOYSA-N 298.390 1.831 0 50 CDAA CCc1oc(C(=O)N2CC[C@H](C(=O)O)C2)cc1C 178260755 OQLSNRRRWPTKIJ-VIFPVBQESA-N 251.282 1.697 0 50 CDAA COCCN1C[C@H](Cc2ccc(O)c(OC)c2)CC1=O 222664399 CQUPKDDWQOUTNL-GFCCVEGCSA-N 279.336 1.438 0 50 CDAA CCN(C[C@@H]1CCCCO1)C(=O)c1cc(=O)cc(C)[nH]1 426597278 SSBIZQLJGDQIQX-ZDUSSCGKSA-N 278.352 1.715 0 50 CDAA Cc1c[nH]c(CNC(=O)[C@H](C)CN2CCCC2)c(C)c1=O 426689152 IUDPLQJNHQHQGK-GFCCVEGCSA-N 291.395 1.340 0 50 CDAA CC(C)(C)c1nc(CC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cs1 295299397 VALGSFZYTISPSN-IAZYJMLFSA-N 279.409 1.317 0 50 CDAA Cc1cccnc1C[C@H](C)NC(=O)CCn1cncn1 220174997 OBSGONABXFAQEV-LBPRGKRZSA-N 273.340 1.119 0 50 CDAA CCOC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 238291924 QCUSDDNIDDPFGO-NSHDSACASA-N 287.356 1.966 0 50 CDAA Cc1cc(CN(C)C(=O)c2n[nH]c(C)c2Cl)on1 426413064 XCQKXZUHPQOYTA-UHFFFAOYSA-N 268.704 1.940 0 50 CDAA COCCCN1CC[C@@H](CNc2ccncn2)C1 91933472 GDRWIFJULDUEAW-LBPRGKRZSA-N 250.346 1.247 0 50 CDAA COC(=O)c1ccc2ccn(C[C@@H]3CCCO3)c(=O)c2c1 95366206 PMBBVEBOIHEYDW-ZDUSSCGKSA-N 287.315 1.967 0 50 CDAA CCOCCC(=O)N1CC[C@@](O)(C2CC2)[C@H](C)C1 91440551 COLRIOJGFQWLJB-RISCZKNCSA-N 255.358 1.423 0 50 CDAA CNC(=O)[C@H](C)NC(=O)C[C@@H](C)Cc1cccc(F)c1 294724647 SXRFOIFRAOPQRN-QWRGUYRKSA-N 280.343 1.645 0 50 CDAA Cc1nc2ccc(NC(=O)N3CC[C@@H](O)C3)cc2nc1C 95527482 PXCIWCPREQXUMO-GFCCVEGCSA-N 286.335 1.845 0 50 CDAA Cc1ccc([C@@H](C(=O)NCCCCCO)N(C)C)cc1 95358916 KAKBAPHDHKBGBS-HNNXBMFYSA-N 278.396 1.877 0 50 CDAA Clc1ncc2[nH]nc(I)c2n1 299890050 SUWWANYXJYREEJ-UHFFFAOYSA-N 280.456 1.611 0 50 CDAA COc1ccnc(N2CCN(C[C@@H]3CCCOC3)CC2)n1 252485159 GOGYKHVFNRFQCX-ZDUSSCGKSA-N 292.383 1.034 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2sccc2C2CC2)CCO1 299752554 UOMJLUCNIDIIQO-JTQLQIEISA-N 281.333 1.551 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H]3N)C2)no1 299738422 AQKNJRXWKBYTJP-YNEHKIRRSA-N 292.383 1.287 0 50 CDAA Cc1cnn([C@@H](C)CNS(=O)(=O)CC(C)C)c1 534670165 XGLUVFHZUGMKCO-NSHDSACASA-N 259.375 1.328 0 50 CDAA CC[C@H](C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N)n1cccn1 534672396 JZPQIMFJEGUUQG-XQHKEYJVSA-N 262.357 1.030 0 50 CDAA O=C(NCc1noc([C@@H]2CCCO2)n1)N1CCSCC1 534640154 VBKUFFTYSOIDJJ-VIFPVBQESA-N 298.368 1.180 0 50 CDAA CCNC(=O)c1cc(CN)cc(NC(=O)c2ccccn2)c1 299793276 IGWXMRBEEJONDL-UHFFFAOYSA-N 298.346 1.542 0 50 CDAA CC(C)c1nccn1CCCNC(=O)c1ccc(O)nc1 299801476 ZBFZIUGAYMWOED-UHFFFAOYSA-N 288.351 1.927 0 50 CDAA CN(Cc1cc(C2CC2)on1)C(=O)COC[C@H]1CCCO1 299775677 MNFVZORVENXYDQ-CYBMUJFWSA-N 294.351 1.706 0 50 CDAA CC[C@@H](C(=O)NCc1cncn1CC)N(C)CC 823061367 RQMUVSAJBYRIFJ-LBPRGKRZSA-N 252.362 1.250 0 50 CDAA Cn1cc(Cl)c(-c2ncnn2CC(C)(C)O)n1 825636367 IAEIBGRLJSTSAE-UHFFFAOYSA-N 255.709 1.103 0 50 CDAA CCc1ccc(C(=O)N(C)Cc2nncn2CCOC)[nH]1 584889824 LYTMCJKJVMKHKQ-UHFFFAOYSA-N 291.355 1.087 0 50 CDAA NC[C@@H]1CC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)CN1 757211922 JJIVXKCAOKVNDZ-VLEAKVRGSA-N 265.323 1.244 0 50 CDAA NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 1363563232 ZQEKHJPDBCVCON-SFYZADRCSA-N 292.726 1.666 0 50 CDAA CCc1cc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@H]2COC)ccn1 1565510986 XGZHQBLXWZQRNB-CBBWQLFWSA-N 290.363 1.424 0 50 CDAA CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H](O)C2)c(O)n1 1548453710 LLHIECXYWDYUDQ-ZJUUUORDSA-N 264.325 1.554 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1ccoc1 1565510645 RMTPYLTZHGVTQV-STQMWFEESA-N 288.303 1.641 0 50 CDAA C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CC(=O)O 211797323 QFRGWUPGOIVBEA-SECBINFHSA-N 263.293 1.462 0 50 CDAA CC1=C(C(=O)N[C@H]2CC(=O)Nc3ccccc32)OCCO1 952989417 CZOCTYVWJCOOOM-LBPRGKRZSA-N 288.303 1.464 0 50 CDAA CCc1nc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)O)cs1 268892941 JDJHDIOCNSNVTH-BIIVOSGPSA-N 268.338 1.603 0 50 CDAA Cc1c([C@H](C)NC(=O)NC2CCOCC2)cnn1C 408006359 YCLXZIPNQPDCNA-VIFPVBQESA-N 266.345 1.268 0 50 CDAA CCOC[C@@H]1CCN(C(=O)Cc2ccc(O)c(F)c2)C1 408519536 HRRSXBJHMYLZAG-GFCCVEGCSA-N 281.327 1.959 0 50 CDAA CCN1CCN(CC(C)(C)NC(=O)c2c[nH]cc2C)CC1 408520815 YFFGCDRNNOBQDV-UHFFFAOYSA-N 292.427 1.469 0 50 CDAA CN(C)CCCC(C)(C)NC(=O)[C@H]1CCCCC(=O)N1 408520403 CFZKQZOXFLVYQA-GFCCVEGCSA-N 283.416 1.282 0 50 CDAA CCc1ncc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)cn1 269531110 QUMVCUNVJOMUDH-ZYHUDNBSSA-N 279.340 1.562 0 50 CDAA CC(C)(C)n1cnc(C(=O)N[C@H](CC2CC2)C(=O)O)n1 515301938 FKEBEHVXZUQMLZ-SECBINFHSA-N 280.328 1.016 0 50 CDAA c1ccc(N(CCN2CCOCC2)Cc2cc[nH]n2)cc1 170608780 AHJVDNZBRFOFMU-UHFFFAOYSA-N 286.379 1.749 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)OC2(CCC2)C1 1772717925 JPIDIOMIWPPKGO-SECBINFHSA-N 271.313 1.630 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2nc(C)c(C)s2)n1 275356665 VQLBGTBEBUWMNF-GHMZBOCLSA-N 294.380 1.759 0 50 CDAA CSC[C@@H](C)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275714077 VMCSVIYPNGRVGZ-VWYCJHECSA-N 298.412 1.301 0 50 CDAA Cc1ccnc([C@@H](C)NC(=O)c2cc(C)n(C)n2)n1 636041861 FVJDSUKXCFVEHL-SNVBAGLBSA-N 259.313 1.318 0 50 CDAA Cc1nc([C@@H]2CCCN2Cc2nnn(C)n2)cs1 193487762 XNCVYFXHSXWMAH-JTQLQIEISA-N 264.358 1.312 0 50 CDAA O=C(Cn1cnc2c1CCCC2)N1CCOCC(F)(F)C1 564535823 CHITXGOGSNNCPZ-UHFFFAOYSA-N 299.321 1.256 0 50 CDAA C[C@H]1CN([C@H](C(=O)O)c2cccnc2)C[C@@H](C)O1 565101229 CABACPIFVUPDGG-UMNHJUIQSA-N 250.298 1.317 0 50 CDAA CCc1ccc(NCc2ncc(C)o2)cc1S(N)(=O)=O 585137959 DOQBJAUXDNIVJZ-UHFFFAOYSA-N 295.364 1.805 0 50 CDAA COC1(CC(=O)N2C[C@H](N)C3(CCC3)C2)CCC1 1615606241 ULFDYGMGFBJLBM-NSHDSACASA-N 252.358 1.285 0 50 CDAA Cc1noc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)c1C 1615604651 CNSFVXSXJACKAA-ZRUFSTJUSA-N 278.308 1.521 0 50 CDAA CCn1cc([C@H](C)NC(=O)c2cn(C)nc2COC)cn1 1647390042 IBFHBHHSDIRYST-JTQLQIEISA-N 291.355 1.274 0 50 CDAA O=C(c1cnn2c1CCCC2)N1[C@H]2CC[C@@H]1C[C@H](O)C2 102731501 ZWORPPRDXXLHSD-GDNZZTSVSA-N 275.352 1.347 0 50 CDAA Cc1nncn1CCN(C)C[C@H](O)c1ccccc1 1506415377 XGSDYWNFQGNZMN-AWEZNQCLSA-N 260.341 1.252 0 50 CDAA CCCCn1ncc(C)c1NC(=O)CCC(=O)N(C)C 1506401944 HGSFYCDWQQHPDJ-UHFFFAOYSA-N 280.372 1.799 0 50 CDAA Cc1ccc(S(=O)(=O)n2ccc(C(=O)O)c2)cc1 172190 UYHPMGMXSFLPOF-UHFFFAOYSA-N 265.290 1.732 0 50 CDAA in-vitro CC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1C 111693007 YRBAWYGUWODVCK-GFCCVEGCSA-N 299.396 1.169 0 50 CDAA COc1nc(N[C@@H](C)Cc2cc(C)[nH]n2)ncc1F 1704314664 WIVLLDLTWAPVFW-ZETCQYMHSA-N 265.292 1.699 0 50 CDAA Clc1ccnc2c(I)cnn12 575436461 JBCMWZQGBAYVQW-UHFFFAOYSA-N 279.468 1.987 0 50 CDAA O=C(CS(=O)(=O)C1CCCC1)N[C@H]1C[C@H](CF)C1 1857533263 YZYPTWHUGTVTQE-MGCOHNPYSA-N 277.361 1.208 0 50 CDAA CC(C)(O)CCn1ccnc1C(C)(C)CN1CCOCC1 1857679082 WJHCATNZURRPJF-UHFFFAOYSA-N 295.427 1.654 0 50 CDAA CCOCCN1CCN(C[C@H]2CCCCO2)C[C@@H]1C 247034495 DIMNYQCJPCYKAR-LSDHHAIUSA-N 270.417 1.598 0 50 CDAA CN1C[C@H](CN2CCN(c3ccccn3)CC2)CCC1=O 1772815852 ZXDJPWAZTRDSPD-CQSZACIVSA-N 288.395 1.072 0 50 CDAA Cc1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 169300102 WPFYQSJKOJNEMK-LPWJVIDDSA-N 257.289 1.662 0 50 CDAA COc1ccc(C)nc1N1CCC[C@@H](CCC(N)=O)C1 1857674421 HRLIEYUVDHHQNU-LBPRGKRZSA-N 277.368 1.881 0 50 CDAA CC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857677131 YIOMBZCTHUIQEA-XHSDSOJGSA-N 259.349 1.991 0 50 CDAA O=C(c1cccn1C1CC1)N1CCN2C(=O)OC[C@H]2C1 1857687230 MHPDAVDICOOMJL-LLVKDONJSA-N 275.308 1.100 0 50 CDAA Cc1cscc1NC(=O)NC[C@@H]1CNCCO1 333117840 HRIAOMJSBJVYRI-VIFPVBQESA-N 255.343 1.166 0 50 CDAA C[C@@H]1CCC[C@H](OCC(=O)N2CCNC[C@H]2C)C1 125182626 KKEMQGNZIQXDSG-UPJWGTAASA-N 254.374 1.402 0 50 CDAA O=C(c1c[nH]nc1C1CC1)N1CCC[C@H](c2nc[nH]n2)C1 365127632 VOBHHXWELSEUNR-JTQLQIEISA-N 286.339 1.425 0 50 CDAA CN(C(=O)CCc1ccccc1C(=O)O)[C@@H]1CCOC1 263268998 LNUQZSJVCWZGNW-GFCCVEGCSA-N 277.320 1.565 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCCN2)C[C@H](c2ccc(F)cc2)O1 161565098 YZBQTAMYLUTYLD-BYCMXARLSA-N 292.354 1.866 0 50 CDAA Cc1cnc([C@@]2(NC(=O)c3c(C)noc3C)CCOC2)[nH]1 818679365 YWOVEELAHRCKNF-CQSZACIVSA-N 290.323 1.369 0 50 CDAA O[C@H](CN[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cn1 819235041 JQGZFWBKVVIXKJ-NWANDNLSSA-N 280.343 1.801 0 50 CDAA CN1CC[C@](C)(C(=O)N[C@H]2C[C@@H](O)c3ccccc32)C1=O 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SVEAVSXMLXBUAH-UHFFFAOYSA-N 285.303 1.141 0 50 CDAA CCC[C@@H](OC)c1nc(Cc2cnsn2)no1 896869446 ZCIHAMFHQCDZPV-MRVPVSSYSA-N 254.315 2.000 0 50 CDAA N[C@H]1CC12CCC(NC(=O)c1cc3cnccc3[nH]1)CC2 1775960899 WQZGMFWDJVGEPI-WMEQCIOUSA-N 284.363 1.953 0 50 CDAA Cc1nc([C@H]2CCCN2C(=O)OCC(F)(F)F)n[nH]1 1775990439 AZYGUUNJKPTNNW-SSDOTTSWSA-N 278.234 1.949 0 50 CDAA CC(C)[C@@H]1CN(Cc2ccc(=O)n(C)c2)CCO1 1776005270 CHVJJHVPJGFQCQ-ZDUSSCGKSA-N 250.342 1.242 0 50 CDAA NC(=O)c1cn(C[C@H]2CC3(CCCCC3)CO2)nn1 1189035209 WYAMESLYBVBVKS-SNVBAGLBSA-N 264.329 1.116 0 50 CDAA COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1CCCCO1 262992336 QJXVFYCTGCOZSH-NSHDSACASA-N 279.292 1.901 0 50 CDAA Cc1nccn1CCN(C)Cc1cccc(C(=O)O)n1 97680016 LJGKTUXRHJXEKD-UHFFFAOYSA-N 274.324 1.417 0 50 CDAA O=S1(=O)CCC(NCc2nc(C3CC3)cs2)CC1 329839009 VVXARQAJCGKYCB-UHFFFAOYSA-N 286.422 1.687 0 50 CDAA COc1ccc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)nc1 360597670 MILFRYLHKRJJHV-NWDGAFQWSA-N 278.352 1.619 0 50 CDAA COc1ccc(F)cc1CN1CCO[C@H](C)[C@H]1C(=O)O 393325801 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CN(Cc1ccco1)c1nccc(=N[C@@H]2CCCOC2)[nH]1 328635697 NPDUPIHODMUOBO-GFCCVEGCSA-N 288.351 1.719 0 50 CDAA CCn1ccnc1C(=O)N1CCCC[C@H](CO)C1 365857840 SXVJWCQOVDQHGD-NSHDSACASA-N 251.330 1.138 0 50 CDAA C[C@@H](C1CCN(c2ccncc2)CC1)N1CCN(C)CC1 77519419 FUYDDDYABPZCIZ-HNNXBMFYSA-N 288.439 1.934 0 50 CDAA Cc1ccncc1S(=O)(=O)N[C@@H](CC(C)C)CN(C)C 331340289 SCJIRVKTMPENMX-ZDUSSCGKSA-N 299.440 1.645 0 50 CDAA NC1C[C@@H]2CCC[C@H](C1)C2NC(=O)c1cnns1 261645321 LOPBUXHHUSOLBA-REMFIFCHSA-N 266.370 1.174 0 50 CDAA O=C(NCc1ccncn1)c1cc(=O)[nH]c2ccc(F)cc12 215350331 PPTHHJLTVXDLMA-UHFFFAOYSA-N 298.277 1.387 0 50 CDAA CNC[C@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 158926647 WQRRGHBOOQWTEW-SBDDDAINSA-N 259.353 1.553 0 50 CDAA CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1CCN1Cc1ccccc1 333018725 VLPHLEJFHWUSHR-RRFJBIMHSA-N 288.391 1.537 0 50 CDAA CC(C)[C@@H]1C[C@@H](CNC(=O)/C=C/CN(C)C)CCO1 493500602 UPXACOYQIZEVBI-BEVHLOIGSA-N 268.401 1.672 0 50 CDAA Cc1ccnn1CCCN1CCN(c2ncccn2)CC1 137599264 CIBRWTWSNIZVSJ-UHFFFAOYSA-N 286.383 1.194 0 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CN1CCCC[C@H]1CCC(=O)NCCCn1cccn1 95363688 SDDKHGXDOGMLFL-AWEZNQCLSA-N 278.400 1.654 0 50 CDAA CN(Cc1c(Cl)ccc(O)c1Cl)[C@H]1COC[C@@H]1O 97217582 IDHRBCNCXNNIQY-ONGXEEELSA-N 292.162 1.891 0 50 CDAA COC(=O)N1CC(NC(=O)c2scnc2C2CC2)C1 179116901 DPNDFSMOLQUBSN-UHFFFAOYSA-N 281.337 1.201 0 50 CDAA CCc1nc(N)nc(N[C@@H](C)c2nnc(N)s2)c1C 95370713 MOMWYDHVFDCGLT-LURJTMIESA-N 279.373 1.536 0 50 CDAA COCC[C@@]1(CO)CCCN(CCC(=O)N2CCCC2)C1 91656638 BWRXUTLSMWTXEP-INIZCTEOSA-N 298.427 1.110 0 50 CDAA Cc1ncnc(N2CCC[C@](O)(CN(C)C)CC2)c1C 95373857 UUDMWLCENGRHCC-OAHLLOKOSA-N 278.400 1.376 0 50 CDAA O=c1cc(I)cc(C(F)(F)F)[nH]1 238568360 ZOEAMBBAILLAAC-UHFFFAOYSA-N 288.994 1.998 0 50 CDAA CN1CCC2(CC1)NC(=S)N(c1ccc(Cl)cc1)N2 334160480 FQNQRCCSMMQAPS-UHFFFAOYSA-N 296.827 1.961 0 50 CDAA CN(C)[C@H](C(=O)NC(C)(C)C(=O)O)c1ccc(F)cc1 95525399 ZDDYKAYGEVOQLG-NSHDSACASA-N 282.315 1.408 0 50 CDAA Nc1nc2c(c(NCCN3CCCOC3=O)n1)CCCC2 91451994 MYLXBTBUCGQEJO-UHFFFAOYSA-N 291.355 1.192 0 50 CDAA CCc1nccn1CC(=O)N[C@@H](CC)[C@H]1C[C@H](O)C1 244831534 UFNDJOAGSGNUNV-SRVKXCTJSA-N 265.357 1.111 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)CN(C)Cc2ccncc2)CC1 243892601 AJPMFIOOVGLXSG-SHTZXODSSA-N 291.395 1.587 0 50 CDAA O=C(NC1CC1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 246616103 AGJKWUWTVPDFCR-SGMGOOAPSA-N 263.385 1.665 0 50 CDAA COc1ccccc1-n1cc(CN2CC(C(=O)O)C2)cn1 244874572 XDJXYHNIVPNVMF-UHFFFAOYSA-N 287.319 1.397 0 50 CDAA Cc1sc(-n2cnnn2)c(C(=O)NCC2CC2)c1C 524734554 QBWDAILBXGJLKJ-UHFFFAOYSA-N 277.353 1.480 0 50 CDAA COCCCN(c1ccccc1N)S(C)(=O)=O 252499834 SFVXAOMBPQFBNE-UHFFFAOYSA-N 258.343 1.071 0 50 CDAA COc1cc(C(=O)NCC(=O)O)ccc1OC1CCCC1 299749643 LCVOJOINEDYGKW-UHFFFAOYSA-N 293.319 1.831 0 50 CDAA CCN1CCC[C@@H](Nc2ncc(F)c(OC)n2)C1 534642921 XAPIIDXPXKVKHT-SECBINFHSA-N 254.309 1.521 0 50 CDAA CCOC(=O)CC1=NS(=O)(=O)c2ccccc21 260889816 WMHPFMQRSMRBOH-UHFFFAOYSA-N 253.279 1.131 0 50 CDAA O=C(O)c1ncc(C(F)(F)F)cc1N1CCNCC1 263623707 JXQQWOLIBMMJMX-UHFFFAOYSA-N 275.230 1.208 0 50 CDAA CCN1CCN(CC(=O)NCc2cc(F)ccc2F)CC1 360134966 HUWNYDCEKPEWPS-UHFFFAOYSA-N 297.349 1.219 0 50 CDAA CCCn1cc(NC(=O)N[C@H](CC)COC)nn1 299758345 LWALQNKCJSIOCO-SECBINFHSA-N 255.322 1.235 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)c1n[nH]cc1Cl 822280939 NZQVUVGPQXIRER-ZETCQYMHSA-N 282.735 1.727 0 50 CDAA COc1cccc(C)c1C(=O)N(C)Cc1ncc[nH]1 824792727 VUSOWNHHKLLQJP-UHFFFAOYSA-N 259.309 1.999 0 50 CDAA Cc1cc(C)nc(Cn2cnc3cnccc3c2=O)n1 584891594 QWHPIZYLDPONKP-UHFFFAOYSA-N 267.292 1.247 0 50 CDAA COCCCCN1CCN(C(=O)[C@H](C)N2CCCC2)CC1 584901059 SZENDMJJYAEVKT-HNNXBMFYSA-N 297.443 1.042 0 50 CDAA Fc1c[nH]ccc1=NCCCn1cc(Cl)cn1 699665741 ZBJSWGVTYSJQLR-UHFFFAOYSA-N 254.696 1.995 0 50 CDAA Cc1ccc(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)nc1 1553488093 IFIYEADKHWOXEP-AWEZNQCLSA-N 288.395 1.455 0 50 CDAA COc1ccc(-n2cnnc2)cc1NC(=O)CSC 952864044 XTZLICOPKKDYPD-UHFFFAOYSA-N 278.337 1.577 0 50 CDAA O[C@@H]1CCCN(CCCNCc2cnccc2Cl)C1 952872594 PNXPQYYXTUJVNM-CYBMUJFWSA-N 283.803 1.671 0 50 CDAA CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@H]1O 72267129 MUPAPEDKCKNYLY-KBPBESRZSA-N 263.337 1.433 0 50 CDAA in-vitro CNc1ncccc1C(=O)N1CCC[C@@H](CC(N)=O)CC1 1550768596 JYMOLKAJUVUEJE-LLVKDONJSA-N 290.367 1.241 0 50 CDAA C[C@H]1[C@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1(F)F 408046784 XZGLQZSBDWKDFO-QEYWKRMJSA-N 285.294 1.268 0 50 CDAA Cc1ccoc1C(=O)N1CCO[C@H](c2ncon2)C1 408192978 PORRWHSMAXDXGD-VIFPVBQESA-N 263.253 1.185 0 50 CDAA COCC(=O)NC[C@H](c1ccc(Cl)cc1)n1ccnc1 408517859 OFKKAFNXPYHLEB-CYBMUJFWSA-N 293.754 1.889 0 50 CDAA CC(=O)c1nccn1CC(=O)N[C@@H](C)c1ccccc1 170619690 VPWVNSJRJSRNRH-NSHDSACASA-N 271.320 1.963 0 50 CDAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 630238614 RDZHZRCYMZSRBE-KEPMVKOISA-N 275.304 1.836 0 50 CDAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccnn1C 274233203 YUNCQCIZXCNSBO-ZDUSSCGKSA-N 291.376 1.694 0 50 CDAA Cc1nnc(CCNc2ncc(Br)cn2)n1C 170090304 ZDCKGWOZXWOIJR-UHFFFAOYSA-N 297.160 1.331 0 50 CDAA COCc1nc(C)cc(N2CC(C)(C)O[C@@H]3COC[C@H]32)n1 585090364 DNRJJDOFEVKFSG-VXGBXAGGSA-N 293.367 1.314 0 50 CDAA C[C@@H]1C[C@H](N(C)C[C@H](O)CO)CCN1Cc1ccccc1 585116788 IMUABNCEBOZPJN-OIISXLGYSA-N 292.423 1.325 0 50 CDAA CC[C@@H]1[C@@H](C(=O)N2CC[C@H](O)CC(C)(C)C2)CCN1C 585131467 WXWAJKNRJJKRAQ-MELADBBJSA-N 282.428 1.726 0 50 CDAA CCN(C(=O)N1CCC[C@H](CN2CC[C@@H](O)C2)C1)C(C)C 585139412 WMPGBSNRVZNQOT-HUUCEWRRSA-N 297.443 1.615 0 50 CDAA Cc1nc2c([nH]1)C[C@H](C(=O)NCc1nnc(C)s1)CC2 681537277 LPJSOTJIKNNELU-SECBINFHSA-N 291.380 1.299 0 50 CDAA O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)C1CC1 187828369 YBTKFQLQBZOABK-ONGXEEELSA-N 265.275 1.996 0 50 CDAA COC(=O)[C@@H]1[C@H](O)CCCN1C[C@H]1CC=CCC1 188782153 QRDSPMVLVNJYBD-XQQFMLRXSA-N 253.342 1.341 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc(C)no2)C1(C)C 188836126 PKKZOGBFSSHOQC-RISCZKNCSA-N 282.340 1.279 0 50 CDAA Cc1cc(=O)c(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)co1 190068303 WRVMDCDUGNWNHE-PHIMTYICSA-N 279.336 1.832 0 50 CDAA CC(C)N1CCC[C@@H](N2C[C@@H](C)OCC2(C)C)C1=O 192720547 KLQUOSQWWIXHJL-CHWSQXEVSA-N 268.401 1.885 0 50 CDAA C[C@@H]1C(=O)N([C@@H]2CCc3cc(O)ccc3C2)C(=O)N1C 672066944 LHGBATJBHMPGIK-BXKDBHETSA-N 274.320 1.532 0 50 CDAA O=C([C@H](O)CCc1ccccc1)N1CC(F)(F)C[C@@H]1CO 673226735 IKWOIVKITLKFIK-CHWSQXEVSA-N 299.317 1.209 0 50 CDAA CC(C)[C@@H](CNS(C)(=O)=O)ONC(=O)OC(C)(C)C 583651960 WDWHEPOPNQPMFL-SECBINFHSA-N 296.389 1.017 0 50 CDAA COC(=O)N1CCC(c2ncc(C(=O)O)o2)CC1 1615001958 PCDLEZJXTXKJBT-UHFFFAOYSA-N 254.242 1.319 0 50 CDAA O=C(Cc1ccco1)N1CCCC[C@H]1CCn1ccnn1 1616031853 DNZCDCXVTQWEHR-ZDUSSCGKSA-N 288.351 1.885 0 50 CDAA CC[C@]1(CO)COCCN1Cc1c(F)cccc1F 1875303047 SJLUVOQUBWLASV-AWEZNQCLSA-N 271.307 1.938 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)c2cc(=O)c(OC)c[nH]2)C1 1506417309 INTDBWBSIRDWGC-LLVKDONJSA-N 294.351 1.415 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(F)c(F)c3F)C[C@@H]21 225350453 XNOJANNEYKOPGR-POZPLHJXSA-N 284.281 1.913 0 50 CDAA Cc1[nH]c(=N)nc(N2C[C@H]3C[C@H](O)C[C@H]3C2)c1Cl 1857683483 HJBJKAOFXDBSPG-BRPSZJMVSA-N 268.748 1.058 0 50 CDAA CC(C)c1cc(C(=O)NCC(C)(C)C(=O)O)n[nH]1 236712439 QCPANOCMDHRCBT-UHFFFAOYSA-N 253.302 1.374 0 50 CDAA Fc1ccccc1OC1CN(CC[C@@H]2COCCO2)C1 1800413421 HFTMTUHUIZGERQ-GFCCVEGCSA-N 281.327 1.694 0 50 CDAA CS(=O)(=O)N1CCC(c2cccc(C(=O)O)c2)CC1 616449917 NYGZIOLQBXYUJP-UHFFFAOYSA-N 283.349 1.524 0 50 CDAA Cc1ncsc1CCN(C)CC[C@@H]1COCCO1 1775981928 YQPLTEPQLUZCNQ-GFCCVEGCSA-N 270.398 1.731 0 50 CDAA COc1cccc(C(=O)NCCC(=O)N2CCCC2)c1 12865974 QYNLPHXRRKUHFU-UHFFFAOYSA-N 276.336 1.438 0 50 CDAA O=C(NCc1cccnc1-n1ccnc1)[C@@H]1CCCCO1 15077221 GKKZRYKUKKEQHZ-ZDUSSCGKSA-N 286.335 1.453 0 50 CDAA CCOc1ccc(CC(=O)N2CCN(CC)CC2)cc1 16580667 SECOWGNYNZTKCM-UHFFFAOYSA-N 276.380 1.792 0 50 CDAA COc1ccc(-c2nc3c(=O)n(C)c(O)nc3n2C)cc1 18270670 PDJYKSNZNLMGIP-UHFFFAOYSA-N 286.291 1.048 0 50 CDAA biogenic O=C(Cn1ccccc1=O)N1CCOC2(CCCC2)C1 151624027 JSVASSZFILRKNF-UHFFFAOYSA-N 276.336 1.020 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@H](CN)C(F)(F)F)CC1 159832745 ZORBXJGFWLAHBD-SECBINFHSA-N 297.321 1.429 0 50 CDAA O=C(NCc1ccccc1-n1cncn1)C1CC=CC1 1857682340 VUEPWCCESVQVHB-UHFFFAOYSA-N 268.320 1.850 0 50 CDAA O=C(C1CCOCC1)N1CCO[C@@H](c2cccnc2)C1 1857707026 WRHPIDAVNZOHCB-CQSZACIVSA-N 276.336 1.408 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCN(C)C2)nn1-c1ccccc1 109847818 ATJOXEFLDXQUAF-CQSZACIVSA-N 298.390 1.862 0 50 CDAA O=C1C[C@H](CC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3CC2)CO1 521394716 HOEOMGLPRSOZIR-PEDHHIEDSA-N 275.348 1.610 0 50 CDAA O=C(O)C1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 118966476 IEKPRKTUZZLXOF-GHMZBOCLSA-N 263.268 1.663 0 50 CDAA CCOc1cc(N2CCN(c3ccncc3)CC2)ncn1 120794474 MWPJLGOAYGUXEY-UHFFFAOYSA-N 285.351 1.597 0 50 CDAA Cn1cncc1CNCc1ccc(N2CCCC2)nc1 237936600 RSUAQWFRQTUPFC-UHFFFAOYSA-N 271.368 1.705 0 50 CDAA CNC(=O)c1ccc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)o1 247960344 QIWLOEVBBOJILE-NEPJUHHUSA-N 292.335 1.182 0 50 CDAA CCn1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cn1 252586084 NJEYWMWCUAWWSF-UHTWSYAYSA-N 291.351 1.761 0 50 CDAA COCC[C@H](CO)NC(=O)NC[C@@H]1Cc2ccccc21 252508220 XGYJEZINTMYSHX-QWHCGFSZSA-N 278.352 1.023 0 50 CDAA CN(C(=O)C[C@@H]1CCCO1)[C@H](C(=O)O)c1ccccc1 584908017 MOVZXEIVLHXAQG-JSGCOSHPSA-N 277.320 1.840 0 50 CDAA COc1ncccc1N1C(=O)N[C@H](CC(F)F)C1=O 900195981 HCAUFCQXFRBGJF-ZCFIWIBFSA-N 271.223 1.170 0 50 CDAA Cc1ccc(C(=O)N(C)C)cc1NS(C)(=O)=O 10314787 JMBHEWCPZLOPGQ-UHFFFAOYSA-N 256.327 1.068 0 50 CDAA C=CC(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 820437455 KFDCWQMGWSBZTQ-SNVBAGLBSA-N 278.739 1.995 0 50 CDAA Cc1nnccc1NC(=O)NCc1cnn(CCF)c1 930815621 DRRMGBZVAGIGIA-UHFFFAOYSA-N 278.291 1.273 0 50 CDAA C[C@H]1CN(C(=O)C2=NNC(=O)C2)CCc2ccc(F)cc21 846617176 JTCHQDLGOQSNKE-VIFPVBQESA-N 289.310 1.190 0 50 CDAA O=C1[C@H]2CCCCN2C(=S)N1c1ccccc1O 1857533490 CPWJIZCDZBCUHZ-SNVBAGLBSA-N 262.334 1.878 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CCC(=O)NC2)C1 1857783602 BDJZHHPJYZEBNA-CQSZACIVSA-N 268.357 1.914 0 50 CDAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc(=O)cc[nH]1 952877985 XICYQHKUHDPMGT-CYBMUJFWSA-N 297.358 1.726 0 50 CDAA C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc(=O)cc[nH]1 952877986 XICYQHKUHDPMGT-ZDUSSCGKSA-N 297.358 1.726 0 50 CDAA Cc1conc1CNC(=O)CCCNC(=O)OC(C)(C)C 952994389 OSHVEDXZSCBPSP-UHFFFAOYSA-N 297.355 1.904 0 50 CDAA Cc1cnccc1[C@@H](C)Nc1cnn(CC(=O)N(C)C)c1 1875285115 CQJJVVKNVCPMRM-GFCCVEGCSA-N 287.367 1.848 0 50 CDAA C[C@H](NC(=O)C1(O)CC1)c1cccc2cccnc12 1875296048 XBIDQCFOKBDNHO-JTQLQIEISA-N 256.305 1.937 0 50 CDAA Cc1ccc([C@@H](N)CNC(=O)[C@@H]2CNCC(C)(C)C2)cc1 1875305446 RFFSWHQXWNVULJ-GJZGRUSLSA-N 289.423 1.747 0 50 CDAA NC(=O)C12CC(CN1C(=O)Cc1cccc3cnccc13)C2 888100384 GDSWVUXJCORPFE-UHFFFAOYSA-N 295.342 1.254 0 50 CDAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)Nc3cnc4[nH]ncc4c3)C[C@@H]21 1775960840 BDDRGHCPYKTOTF-IZLWQMGWSA-N 271.324 1.270 0 50 CDAA COC[C@]1(S(=O)(=O)NCCCc2ccccc2)C[C@@H]1C 1775999727 VLZZMIMKSNTYFC-DZGCQCFKSA-N 297.420 1.964 0 50 CDAA O=C(C[C@H]1CCNC1)NCc1ccnc2ccccc12 130829936 CYJMQEDYUHTDLL-GFCCVEGCSA-N 269.348 1.851 0 50 CDAA CC(=O)c1cc(C(=O)N(C2CC2)[C@H](C)C(=O)O)n(C)c1 262596571 IYTWTCLJIXVUHH-MRVPVSSYSA-N 278.308 1.305 0 50 CDAA Cc1nnc(N[C@@H]2CC(=O)N(C)C2)c2ccccc12 312123567 XIHJPXGLXQGYCB-SNVBAGLBSA-N 256.309 1.581 0 50 CDAA CCn1cc(C(=O)N[C@H](CC2CC2)C(=O)O)c(C)n1 630158171 NGYBBDDYCXQOFK-LLVKDONJSA-N 265.313 1.195 0 50 CDAA C[C@H]1CN(Cc2ccc(C(F)(F)F)nc2)CC(=O)N1C 670470898 UCXHEDHLRWTSJJ-VIFPVBQESA-N 287.285 1.763 0 50 CDAA O=S(=O)(N[C@H]1CC12CCNCC2)c1cccc(F)c1 367834270 VGZNLFCRANXOEV-LBPRGKRZSA-N 284.356 1.246 0 50 CDAA OCC1(CNC2CSCCSC2)CCOCC1 584903440 AASIBZKWKUUMAV-UHFFFAOYSA-N 277.455 1.214 0 50 CDAA CCOC(C)(C)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907952752 MITIEJDFKRYMDD-XWLWVQCSSA-N 269.341 1.417 0 50 CDAA Cc1nccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)n1 396486616 KMANOTLNEZSXAS-NSHDSACASA-N 277.324 1.502 0 50 CDAA O=C(NCCCO)C(=O)Nc1cccc(Cl)c1Cl 2944578 NJLBZLZQDLJISC-UHFFFAOYSA-N 291.134 1.431 0 50 CDAA Cc1cnc(Nc2cccc3ncnn23)nc1N(C)C 2100555384 TWVJIMYCBVDISV-UHFFFAOYSA-N 269.312 1.637 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]2CCCCN2C1 2325763135 WCUMFWPUGINZHU-LJISPDSOSA-N 277.412 1.166 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1Cc2cnc(N)nc2C1 217920235 PVZAOGYBSWWCFW-MRVPVSSYSA-N 250.302 1.051 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(O)c1 124145 APTLCCHLQRUOLE-GFCCVEGCSA-N 276.292 1.535 0 50 CDAA Cc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1 143087 LMCYJDROPUDHSG-UHFFFAOYSA-N 290.344 1.895 0 50 CDAA CC1(C)SC[C@H]2C(=O)N3[C@@H](CSC3(C)C)C(=O)N21 227648 VVHDYXKIFLVWSV-YUMQZZPRSA-N 286.422 1.360 0 50 CDAA biogenic Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N)S2)cc1Cl 227703 PSVZDOYIZKOBFY-VIFPVBQESA-N 297.767 1.934 0 50 CDAA NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)cc1 251799 BELFRIBEBKMJRQ-UHFFFAOYSA-N 290.344 1.264 0 50 CDAA CCOc1ccc(S(=O)(=O)n2ccnc2)cc1 380230 GHNSIXZFGLTJRN-UHFFFAOYSA-N 252.295 1.519 0 50 CDAA COCC(C)(C)NS(=O)(=O)c1ccc(C)cc1 435148 KBNXZCJQUOAGGX-UHFFFAOYSA-N 257.355 1.698 0 50 CDAA COc1cccc(-c2nnc(SCC(N)=O)n2C)c1 1332793 RKFGEFSYFCQBCK-UHFFFAOYSA-N 278.337 1.068 0 50 CDAA Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1 1640621 MJAMPGKHIZXVFJ-UHFFFAOYSA-N 269.282 1.585 0 50 CDAA endogenous,world CC(C)n1cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)cn1 2356134026 UFPOMCFEAAAHNN-UMSPYCQHSA-N 279.340 1.837 0 50 CDAA c1ccc2c(c1)CCc1nnc(CCn3cccn3)n1C2 2356148311 QGMPJMUEWDHQDB-UHFFFAOYSA-N 279.347 1.864 0 50 CDAA N=c1cc[nH]c(-c2ccc(CN3CCC[C@@H](CO)C3)cc2)n1 2356152853 CWTOFMRKPDPPJD-CQSZACIVSA-N 298.390 1.760 0 50 CDAA Cc1ccc(CC(=O)NCCCn2ccnc2)cc1 2733968 ASYPHECHRFHUQK-UHFFFAOYSA-N 257.337 1.941 0 50 CDAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(Cc4cncs4)C[C@@H]13)O2 2356164338 PDXXTPXROUPVOI-QPSCCSFWSA-N 293.436 1.684 0 50 CDAA O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCCC1 2880064 GOWSJFOZDZLOFC-UHFFFAOYSA-N 280.755 1.621 0 50 CDAA OCCNc1cc(-n2cccn2)nc(-c2ccccc2)n1 6476023 HTPWHROAQCQPHP-UHFFFAOYSA-N 281.319 1.734 0 50 CDAA NC(=O)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1ccccc1 411976893 JIWBCLXTRITGQG-JKSUJKDBSA-N 281.359 1.783 0 50 CDAA Cc1occc1-c1cc(=NC(=O)NC[C@H](C)CN)[nH]o1 415608902 FZKDVZDRHVIKMF-MRVPVSSYSA-N 278.312 1.381 0 50 CDAA Cn1c(-c2ccc(S(N)(=O)=O)o2)nc2ccccc21 22364235 VVBGDMLVAJVCQX-UHFFFAOYSA-N 277.305 1.481 0 50 CDAA O=C(NCCn1nnc2ccccc21)c1cc(C2CC2)n[nH]1 67654674 VCXSAEHSYUMLOX-UHFFFAOYSA-N 296.334 1.462 0 50 CDAA CCC1(c2nc(-c3ccncc3OC)no2)COC1 350928533 WCZRVRCXJUKMHT-UHFFFAOYSA-N 261.281 1.818 0 50 CDAA CC(C)(C)OC(=O)N1C(C)(C)COS1(=O)=O 38256060 BNXUCYJCRZGFLG-UHFFFAOYSA-N 251.304 1.277 0 50 CDAA O=S(=O)(CC1CCCC1)NCCc1nccs1 178321591 DQNLYXBZXMQXOT-UHFFFAOYSA-N 274.411 1.795 0 50 CDAA Cc1nn(C)cc1[C@H](C)NC(=O)C[C@@H]1CCCC[C@H]1O 280941002 LIBKWYZWNBUUFE-VHRBIJSZSA-N 279.384 1.847 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCOc2ccccc21 252424832 JPEGEHMPPPBLAP-MXWKQRLJSA-N 261.277 1.347 0 50 CDAA CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 166179 VNRQLAGSSZUTTO-JTQLQIEISA-N 275.301 1.213 0 50 CDAA COc1cc(F)c(-n2cnc(CCNC(C)=O)c2)cc1F 65381848 SLOTVCVIGBHBRV-UHFFFAOYSA-N 295.289 1.838 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccn(C)c1C 218965035 RPRRKODXZAONMN-DGAVXFQQSA-N 278.352 1.113 0 50 CDAA COc1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1F 78646005 SHTACHLHHQUWFS-ZDUSSCGKSA-N 280.343 1.935 0 50 CDAA CN1CC[C@H](Nc2ncnc3cccc(F)c23)C1=O 78021088 BMKWRZCZWAIFLM-JTQLQIEISA-N 260.272 1.412 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(OC(C)C)cn2)C1 330574660 ZSJRISAMWOVCBZ-WCQYABFASA-N 294.351 1.091 0 50 CDAA C[C@H](c1cncs1)N(C)C(=O)c1cn2c(n1)CNCC2 72167681 CTXVTDNVVJDVFB-SECBINFHSA-N 291.380 1.276 0 50 CDAA COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 38677403 DZQPAOOPYWBZFZ-MRVPVSSYSA-N 253.685 1.866 0 50 CDAA CN(C)C(=O)N[C@@H](c1ccc(F)cc1)c1ccn(C)n1 358529071 PLOVHALMOIEFKF-ZDUSSCGKSA-N 276.315 1.920 0 50 CDAA Cc1nc([C@@H]2CCCN2C(=O)CCc2cccnc2)n[nH]1 215720150 ZQBBRIMXXVGTEX-ZDUSSCGKSA-N 285.351 1.804 0 50 CDAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1nc2ccccc2[nH]1 359288541 JIYQZPSGPLKKCB-TUKIKUTGSA-N 287.363 1.929 0 50 CDAA CSC[C@H](C)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328632462 RWUCCGJJNASREW-WDEREUQCSA-N 282.413 1.224 0 50 CDAA CC[C@@H](SC)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328631857 RLJYLZJQQVYEJH-GHMZBOCLSA-N 282.413 1.366 0 50 CDAA CCC[C@@H](CC)[S@](=O)CCCS(C)(=O)=O 359441543 QYXQICBPDFXFDJ-QMTHXVAHSA-N 254.417 1.749 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)Cc1cccc(F)c1 124794303 KUPIMUMTGLKBIB-ZWNOBZJWSA-N 250.317 1.706 0 50 CDAA CC(C)(C)n1cnc(C(=O)NC2(CCO)CCCCC2)n1 331115929 NDAPLLZDFYACKE-UHFFFAOYSA-N 294.399 1.848 0 50 CDAA Cc1cc(CC(=O)NCc2cc(C(C)C)on2)on1 219441249 ZCXLOIOESIFYDJ-UHFFFAOYSA-N 263.297 1.953 0 50 CDAA NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1ccc2c(n1)CCC2 520428060 JOPWXJOKGFETJT-UWVGGRQHSA-N 259.309 1.020 0 50 CDAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CC([C@H]2CCOC2)C1 366835920 CBMKEJPJFRGVPF-ZDUSSCGKSA-N 298.346 1.580 0 50 CDAA Cn1nnc2c(C(=O)NC3(c4ccccc4)CC3)ccnc21 282312291 SLMQRIXHSLSPDT-UHFFFAOYSA-N 293.330 1.782 0 50 CDAA O=C(C[C@@H]1CCCC[C@H]1O)N1CCC[C@H](CCO)CC1 332282000 IJVWALKPXYCZNI-SOUVJXGZSA-N 283.412 1.939 0 50 CDAA O[C@@H]1CCOC[C@@H]1[C@H]1CCCN1CCOCC(F)(F)F 337266728 VQHUWFQSGRVSHD-IJLUTSLNSA-N 297.317 1.427 0 50 CDAA CCCc1occc1C(=O)N1C[C@@H](F)C[C@H]1CO 332659133 FPRIEOBTGQISAW-UWVGGRQHSA-N 255.289 1.777 0 50 CDAA CC(C)Cn1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)cn1 332711031 OXSVWBKYBTYLLW-RYUDHWBXSA-N 269.320 1.084 0 50 CDAA C[C@H](C(=O)N1CCCCCC1)N1CC[C@@H](c2nc[nH]n2)C1 333325191 AFBTYUHNJFZQEV-CHWSQXEVSA-N 291.399 1.385 0 50 CDAA NC[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H]2C2CCC2)C1 333601149 QLNOFFJOCWRUFG-PYJNHQTQSA-N 265.401 1.849 0 50 CDAA C[C@H]1CN2CCC[C@H]2CN1C(=O)CCCn1ccnc1 242389381 ZWRNOUPGVGKTED-KBPBESRZSA-N 276.384 1.358 0 50 CDAA CN(C)[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O 219008732 DQURTGQTPHBQKI-RYUDHWBXSA-N 268.744 1.087 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)N2CC[C@H](n3cccn3)C2)C1 333903959 UFAFXPTZRYYAET-RWMBFGLXSA-N 278.356 1.407 0 50 CDAA C[C@@H]1CCN(S(=O)(=O)c2cccc(N)c2)CC1(F)F 334482165 XNYMAWSGOJBWSD-SECBINFHSA-N 290.335 1.935 0 50 CDAA O[C@@]1(CNCc2csc3c2CCCC3)CNCCOC1 77389432 NSXSEIHMZPFXAH-OAHLLOKOSA-N 296.436 1.067 0 50 CDAA CC(=O)N[C@H]1CCN(C(=O)c2ccoc2C(C)C)C1 335545294 ZAURKZXTROTXOA-NSHDSACASA-N 264.325 1.754 0 50 CDAA CC[C@H]1COCCN1CCC(=O)NCc1ccco1 77425066 YSVQHDQUJGXGMZ-LBPRGKRZSA-N 266.341 1.397 0 50 CDAA CN[C@H](C(=O)N(C)Cc1ccn[nH]1)c1ccccc1 221338906 SIFGCALKPSZXCS-ZDUSSCGKSA-N 258.325 1.329 0 50 CDAA CO[C@@H]1CCCN(c2ncc(C)c(-c3cnn(C)c3)n2)C1 199297964 RMWXDIZFYSXSFV-CYBMUJFWSA-N 287.367 1.801 0 50 CDAA Cc1c(C(=O)NC[C@H](C)Oc2cccnc2)ccn1C 426403574 RWYWEDMSUJGFLU-NSHDSACASA-N 273.336 1.926 0 50 CDAA O=C(CN1CCCC1)NCCCOC1CCCCC1 132188597 IHCWKWLBPZBXBA-UHFFFAOYSA-N 268.401 1.938 0 50 CDAA CCN(C(=O)c1cscc1C)[C@@H](C)CS(C)(=O)=O 176651128 LVFGIAINUKSEMW-JTQLQIEISA-N 289.422 1.952 0 50 CDAA CC(C)c1nnc([C@@H](C)NC(=O)CCc2ccnn2C)o1 426421902 OTNQOPWNGPADFC-SNVBAGLBSA-N 291.355 1.737 0 50 CDAA C[S@@](=O)c1nncn1Cc1cccnc1C(F)(F)F 530102153 CCYFAYBGDQSQTO-LJQANCHMSA-N 290.270 1.478 0 50 CDAA CCc1ncc2c(n1)CN(C(=O)c1n[nH]c3c1CCC3)C2 426519193 FOWDGVUMXBBREC-UHFFFAOYSA-N 283.335 1.407 0 50 CDAA CC(C)[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)N1CCCCC1 178273668 CIQQIEOONDAQCZ-OLZOCXBDSA-N 282.384 1.430 0 50 CDAA C[C@@]1(C(=O)O)CCCCN1C(=O)CCCn1cccn1 426581321 SIGZGCNMIMLPON-AWEZNQCLSA-N 279.340 1.519 0 50 CDAA Cc1cccc([C@@H](C(=O)NCc2cc(C)[nH]n2)N(C)C)c1 95368991 RCBNVDDXSIQPJH-HNNXBMFYSA-N 286.379 1.946 0 50 CDAA O=C(NCc1csc(N2CCCC2)n1)[C@H]1CCCCO1 97776035 DPELPSNNUSJDSY-GFCCVEGCSA-N 295.408 1.929 0 50 CDAA C[C@]1(C(=O)O)[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]31)O2 239254618 YNJJBKGMDPSRKI-OMNBBPDLSA-N 299.326 1.443 0 50 CDAA Cn1ccc2ccc(C(=O)NCCCn3ccnn3)cc21 95377910 RAXKAPOLQVWRFH-UHFFFAOYSA-N 283.335 1.590 0 50 CDAA C[C@@H]1CN(CC(=O)O)C[C@H](c2ccc(F)cc2)O1 266047836 YAPUTKYUJBCMSS-BXKDBHETSA-N 253.273 1.672 0 50 CDAA Cc1n[nH]c(CN2Cc3ccccc3O[C@@H](C)C2)n1 292458899 QDHTXRWVDDPNHY-JTQLQIEISA-N 258.325 1.896 0 50 CDAA CCc1nnc2ccc(N3CC[C@@]4(CCN(C)C4)C3)nn12 292402997 VAJBKGGQWPNEDD-OAHLLOKOSA-N 286.383 1.219 0 50 CDAA CNc1cc(C)nc(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1 92046132 SBDLHUFZKYWHBC-WDEREUQCSA-N 276.340 1.374 0 50 CDAA CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1 335095747 UUEHSYWTYIMKSS-UHFFFAOYSA-N 282.365 1.195 0 50 CDAA CCN(C(=O)CCn1ncn(C)c1=O)c1ccccc1 293937920 FSXVFVOBDGWIRG-UHFFFAOYSA-N 274.324 1.025 0 50 CDAA Cc1nc(CCN(C)C(=O)CC[C@@H]2CCCCN2C)no1 95357731 PSAUMDCVILBWJB-ZDUSSCGKSA-N 294.399 1.643 0 50 CDAA O[C@H]1CC[C@H](Nc2cc([C@H]3C[C@@H](O)C3)ncn2)CC1 244708283 KQYUGICYJPKZGE-QDMLRJGXSA-N 263.341 1.430 0 50 CDAA CC[C@@H]1CCC[C@H]([C@H]2NC(=O)[C@@H]3COCCN32)C1 248374910 VBLAQIKYWDBNFX-VOAKCMCISA-N 252.358 1.360 0 50 CDAA COCCc1noc(CNC(=O)[C@@H]2CCOC(C)(C)C2)n1 534671656 JFWPZYPGQHCOIZ-SNVBAGLBSA-N 297.355 1.080 0 50 CDAA CCN(C)C1(CNC(=O)c2csc(=N)[nH]2)CCCC1 534643431 BFYFKTVIQJNYDW-UHFFFAOYSA-N 282.413 1.550 0 50 CDAA COc1nc(N[C@H]2CCCN(C(=O)C(C)C)C2)ncc1F 534648649 VLMAWJYDOZQOQX-JTQLQIEISA-N 296.346 1.683 0 50 CDAA O=C(O)[C@]12CN(Cc3ccccc3)C[C@@]1(C(=O)O)C2 384977286 YTCGGGOFPCNYRZ-OKILXGFUSA-N 261.277 1.048 0 50 CDAA Cc1ccnn1CCC(=O)NC1(C(=O)O)CCCC1 299788467 POPLDGZRQBHXMA-UHFFFAOYSA-N 265.313 1.095 0 50 CDAA OCC1(CNc2cc([C@H]3CCOC3)ncn2)CCOCC1 299775447 DCUYZLFCTPSBLE-LBPRGKRZSA-N 293.367 1.182 0 50 CDAA CC(=O)N[C@@H](C)c1ncnn1Cc1ccc(F)cc1 820585306 YEVOTKSMSLOVJX-VIFPVBQESA-N 262.288 1.663 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)c1c(C)n[nH]c1C 827992387 MLODNTBLMQHMCT-VIFPVBQESA-N 275.356 1.786 0 50 CDAA COc1ncc(CN(C)CCc2ccccn2)cn1 824852082 QIQKZPZFKWDKBB-UHFFFAOYSA-N 258.325 1.555 0 50 CDAA CNC(=O)[C@H](NC1CSCCSC1)c1ccccc1 584895312 HXTQEUNRCYCWEH-CYBMUJFWSA-N 296.461 1.912 0 50 CDAA COCc1nc(Cc2c[nH]c3ccccc23)n(CCO)n1 670455092 ACWQJOQVTWGTRJ-UHFFFAOYSA-N 286.335 1.489 0 50 CDAA CC(C)(C)c1nc(CS(=O)(=O)c2cccnc2)no1 1421448645 LDLUZACOIUNMPV-UHFFFAOYSA-N 281.337 1.736 0 50 CDAA O=C(Cc1ncc[nH]1)NCC1(c2cccc(F)c2)CC1 1362118864 LRZQGDAGSPINKP-UHFFFAOYSA-N 273.311 1.939 0 50 CDAA c1cnc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)cn1 952854436 IHULEFXGCDBAIB-UONOGXRCSA-N 279.409 1.616 0 50 CDAA CN(CC1(C)COC1)C(=O)/C=C/c1cc(CO)cs1 952963221 JAZZMCHSMYQIOZ-ONEGZZNKSA-N 281.377 1.749 0 50 CDAA O=C(O)CNC(=O)c1cc(-c2cccc(Cl)c2)on1 170596793 HHBCFPYWANAVTI-UHFFFAOYSA-N 280.667 1.809 0 50 CDAA Cc1nc(C)n(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)n1 270349635 BTLXOHCPOWTSNF-CQSZACIVSA-N 299.378 1.923 0 50 CDAA O=C1CC[C@H](C(=O)Nc2ncn(C3CCCCC3)n2)N1 273214483 QKSIQONJYOSGCO-SNVBAGLBSA-N 277.328 1.000 0 50 CDAA C[C@@H](O)CNC(=O)NCCCc1cccc(F)c1 192444650 DLQVVDHMOVJLAW-SNVBAGLBSA-N 254.305 1.438 0 50 CDAA Cn1nccc1-c1csc(CN2CCOCC2)n1 653473056 LMKVQHOIPQUPNL-UHFFFAOYSA-N 264.354 1.376 0 50 CDAA CN(CCn1cccn1)[C@@H](C(=O)O)c1ccccc1 569462588 FGLMFEUMZMHVMN-CYBMUJFWSA-N 259.309 1.641 0 50 CDAA CC(C)Oc1ncccc1C(=O)N[C@H]1CCNC(=O)CC1 665660012 DIVVWVOBAHVKON-LLVKDONJSA-N 291.351 1.267 0 50 CDAA CCc1nn(C)cc1CN1CCC[C@H](CC(N)=O)CC1 671469423 JUFYBIVRPDZLLM-LBPRGKRZSA-N 278.400 1.460 0 50 CDAA Cc1ccccc1-n1cc(CNC[C@H]2CCC[C@@H]2O)nn1 580279722 OJIMJABBMVCYME-CJNGLKHVSA-N 286.379 1.826 0 50 CDAA O=C(c1cnn2ncccc12)N1CCC[C@@H](n2ccnc2)C1 683408347 FAUXFYKFZGWQCG-GFCCVEGCSA-N 296.334 1.403 0 50 CDAA O=C(NCc1cnc(O)c2ccccc12)[C@]12CC[C@H]1CNC2 1615547057 NMWUCNDXWNMVRI-SJCJKPOMSA-N 297.358 1.556 0 50 CDAA COC(=O)N1CCC[C@H]1c1cncc(C(=O)O)c1 1616039634 SJUDKVCCYOJXMW-JTQLQIEISA-N 250.254 1.683 0 50 CDAA Cc1nc(C2OCCO2)sc1-c1ccnn1C 1616036227 HXVLFQGWUFEZRL-UHFFFAOYSA-N 251.311 1.897 0 50 CDAA O=C(CCc1ccc(F)cc1F)N1C[C@H](O)[C@@H](F)C1 1616106802 SFPHZCGBLDKOBG-RYUDHWBXSA-N 273.254 1.439 0 50 CDAA COc1nccnc1N1CCC(c2n[nH]c(C)n2)CC1 1506408883 YJFZMRBCLCATEP-UHFFFAOYSA-N 274.328 1.296 0 50 CDAA CC1=C(C(=O)N[C@@H](CC(=O)O)c2ccccc2)OCCO1 1506424696 BLEHYUCRJSDYKM-LBPRGKRZSA-N 291.303 1.597 0 50 CDAA CCc1ccc(CNCCN2CCC[C@H](CO)C2)o1 1506397124 NLHIREPPKRWDMI-ZDUSSCGKSA-N 266.385 1.636 0 50 CDAA Cn1nc2c(c1NC(=O)C[C@H]1CCCOC1)CSC2 1529191381 XWYMCUHOHFLCNW-SECBINFHSA-N 281.381 1.922 0 50 CDAA Oc1cncc(-c2ncc(F)c(N3CCOCC3)n2)c1 1857718825 UYNGACLDDCGMEA-UHFFFAOYSA-N 276.271 1.220 0 50 CDAA CCCc1cnc(C)nc1NC1CCN(CC(=O)O)CC1 1704324641 BMYWCYOKGXWBJJ-UHFFFAOYSA-N 292.383 1.698 0 50 CDAA CC(=O)c1cnc(NCCc2nc(C)cc(O)n2)nc1C 1704335720 QXVNJUMZRIXKKC-UHFFFAOYSA-N 287.323 1.446 0 50 CDAA Cc1cccc(CN(CCN(C)C)Cc2[nH]cnc2C)n1 1704326389 BNUYJGWFONWXRQ-UHFFFAOYSA-N 287.411 1.985 0 50 CDAA Cc1ncsc1CN(C)C(=O)C1(C(=O)O)CC1 113643525 JWBGXUKVRKEAMN-UHFFFAOYSA-N 254.311 1.275 0 50 CDAA CCCS(=O)(=O)N1CCC2(CCOCC2)[C@H]1C 335371669 KEHMYVIEJOOZJR-LLVKDONJSA-N 261.387 1.617 0 50 CDAA O=C(N[C@@H](CO)CC(F)F)[C@H]1CCC2(CCC2)O1 1875300542 HGTLQKZXIAPJJY-RKDXNWHRSA-N 263.284 1.220 0 50 CDAA COCCC(=O)N1CCC[C@H](N2CCCCC2=O)C1 377666677 FCEVBOMIFXFOAY-LBPRGKRZSA-N 268.357 1.026 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1c(C)cc(C)cc1C 11566162 QSTAHDMPSQGTSX-GFCCVEGCSA-N 271.382 1.661 0 50 CDAA Cc1ccc(OC[C@H](O)CN2CCOCC2)c(C)c1 19973528 OENBOPGFBJQXJS-CQSZACIVSA-N 265.353 1.375 0 50 CDAA O=C(c1ccc(N2CCC(O)CC2)nc1)N1CCCC1 167317404 GYPQXBUIJLEARE-UHFFFAOYSA-N 275.352 1.279 0 50 CDAA OC[C@@H]1C[C@H]2[C@@H](C1)OCCN2Cc1nccn1C1CC1 1857728114 OGLJAUQKEFNHGY-KWCYVHTRSA-N 277.368 1.190 0 50 CDAA O=C(NCc1ccncc1)C(=O)Nc1ccccc1F 2983459 YSCSRGWJWRFYOK-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA CC(C)n1cc(NC(=O)c2nc3ccccc3[nH]2)nn1 1875251461 MKSSSOFEVNMHGT-UHFFFAOYSA-N 270.296 1.988 0 50 CDAA CCOC(=O)C[C@@H](N)c1ccc2c(c1)OCCO2 3678392 UPDOMKNNTODYIN-SNVBAGLBSA-N 251.282 1.411 0 50 CDAA in-vitro Cc1cccc(O)c1C(=O)N1CCC[C@@H](n2ccnn2)C1 627833032 VGYLZEMYWHZZIG-GFCCVEGCSA-N 286.335 1.769 0 50 CDAA C[C@H]1CNCCN1C(=O)CCCOc1ccc(F)cc1F 125614338 FFBGQCALGMTZRV-NSHDSACASA-N 298.333 1.944 0 50 CDAA Cc1n[nH]cc1CN1CCNC(=O)[C@H]1CC1CCCCC1 333881414 UPGFBZUBTTXDFU-OAHLLOKOSA-N 290.411 1.989 0 50 CDAA COC[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)CCO1 569235144 GURKLCUWPHYOSL-ZDUSSCGKSA-N 289.335 1.130 0 50 CDAA CCC1(CC)[C@@H](NC(=O)c2n[nH]cc2F)C[C@@H]1OC 585135559 QGWBNJUDYJBNJM-UWVGGRQHSA-N 269.320 1.872 0 50 CDAA Cc1csc(=O)n1CCc1nc(C2CSC2)no1 585120590 XDNXGTYIJUKONI-UHFFFAOYSA-N 283.378 1.674 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)CCc1cscn1 262706650 NEHAMJVKTGUGJW-VIFPVBQESA-N 254.311 1.151 0 50 CDAA O=C(N[C@@H](C(=O)O)c1ccc2c(c1)CCO2)C1CC=CC1 263208533 ZJACSAHMGOEPSZ-CQSZACIVSA-N 287.315 1.830 0 50 CDAA CCn1ccnc1CN[C@@H]1CCCn2nc(C(=O)O)cc21 905794582 KOHVKSQQAUHNNL-SNVBAGLBSA-N 289.339 1.422 0 50 CDAA C[C@@H]1CNCC[C@@H]1CN1CCCc2c(cnn2C)C1 952892045 KDZOYZGCQNUADG-CHWSQXEVSA-N 262.401 1.414 0 50 CDAA COC(=O)[C@]1(NC(=O)CC2(C)CCCC2)C[C@@H](O)C1 952882743 JAXCUWLTHYGXEZ-WJONMLJTSA-N 269.341 1.140 0 50 CDAA CC(C)(O)[C@@H](NC(=O)c1ccc(F)c(O)c1)C1CC1 1875299666 RHEDZQIADYMMOY-LBPRGKRZSA-N 267.300 1.811 0 50 CDAA Cc1oncc1CNC(=O)[C@@H](CO)c1ccccc1 1875286585 WJOVXHNVCHAUDV-ZDUSSCGKSA-N 260.293 1.375 0 50 CDAA CCn1nnc(C)c1CNc1cnn(-c2ccccc2)n1 1875284263 UHEKDKVBXJPUBA-UHFFFAOYSA-N 283.339 1.799 0 50 CDAA N=c1nc(C2CN(C(=O)N3CCCCCC3)C2)cc[nH]1 1875282645 NBEMJMRZAYCVCN-UHFFFAOYSA-N 275.356 1.284 0 50 CDAA CCN(C(=O)c1ccnn1[C@H]1CC1(F)F)c1cnn(C)c1 1875285623 TXHSNHANCIHEET-NSHDSACASA-N 295.293 1.863 0 50 CDAA COCc1ncsc1C(=O)NCCc1ccc(O)nc1 1875259677 CQJXOOUJPGTDMN-UHFFFAOYSA-N 293.348 1.363 0 50 CDAA O=C1NCCN[C@H]1c1ccc([C@@H]2CC23CCOCC3)cc1 1875272746 IRNNSQNFMXFQPC-GJZGRUSLSA-N 286.375 1.731 0 50 CDAA Cn1cc(-c2ccc(C(=O)OCC3(C(N)=O)CC3)cc2)cn1 1875299689 RYIZBLXVQATTHH-UHFFFAOYSA-N 299.330 1.509 0 50 CDAA CON1CCC(CC(=O)N[C@H](C)c2cc(C)no2)CC1 1875302372 MWMSECCOONVBQF-LLVKDONJSA-N 281.356 1.824 0 50 CDAA Cc1occc1C(=O)n1[nH]c(C(F)(F)F)nc1=N 1775989366 LYXPOATULYOYQD-UHFFFAOYSA-N 260.175 1.299 0 50 CDAA COc1ccc(C[C@@H](C)NN2CCOCC2)cc1OC 23282883 XVMMECBDUKKZNT-GFCCVEGCSA-N 280.368 1.472 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@H]3CNC[C@H]32)s1 36265634 HBKITAHOMAWSQT-VHSXEESVSA-N 272.395 1.039 0 50 CDAA CCn1ccnc1CN(C)Cc1ncccc1C(=O)O 65375079 DHBHNQKGZXDIME-UHFFFAOYSA-N 274.324 1.628 0 50 CDAA O=C(C[C@@H]1CCOC1)Nc1ccc(O)c(C(=O)O)c1 401196370 LWUFSQXMCCAUJY-QMMMGPOBSA-N 265.265 1.456 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@@H](O)C2)cc1Cl 77386267 DUEQJLOFKRLCSI-NSHDSACASA-N 269.728 1.482 0 50 CDAA O=C(c1ccc2c(c1)CCC2)N1CCOC[C@H](CO)C1 77503623 CQRYJIPMRKPMQH-LBPRGKRZSA-N 275.348 1.256 0 50 CDAA CC1CCC(CN2C[C@@H]3OCCN(C)[C@@H]3C2)CC1 334828349 JRBOKPHKHFWPRU-CVSAEHQPSA-N 252.402 1.828 0 50 CDAA C[C@@H]1COCCN(Cc2nnc(C3CC3)n2C)C1 374367438 QXZKFZBBNPJABQ-JTQLQIEISA-N 250.346 1.161 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)c1ccc2ccn(C)c2n1 2100541242 XQHQGYXFTFUWKS-SNVBAGLBSA-N 298.350 1.676 0 50 CDAA CC1(C2CC2)CCN(c2nnc(C(N)=O)s2)CC1 2325780597 ZTAWPULBHXCYES-UHFFFAOYSA-N 266.370 1.654 0 50 CDAA Cn1cc(-c2ncccc2NC(=O)[C@@H]2CNC(C)(C)C2)cn1 2325848375 DYSAMNFAZLEQHF-NSHDSACASA-N 299.378 1.809 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1nc(=N)[nH]c2ccccc12 2325862301 PHDDDFXDSRUCFK-OAHLLOKOSA-N 288.351 1.323 0 50 CDAA CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O 56772 AZEGJHGXTSUPPG-AWEZNQCLSA-N 274.320 1.936 0 50 CDAA biogenic,in-vivo COc1cccc(OCC(=O)NCc2ccccn2)c1 195366 MGGSAHYFPYXKRM-UHFFFAOYSA-N 272.304 1.785 0 50 CDAA COC(=O)N(c1ccc(Cl)cc1)S(C)(=O)=O 400494 JHHYJYFZABMRQX-UHFFFAOYSA-N 263.702 1.872 0 50 CDAA CCCn1nnc(NC(=O)c2ccc3c(c2)OCO3)n1 2214389 JDJRJWBRTDACII-UHFFFAOYSA-N 275.268 1.064 0 50 CDAA COC[C@@H](C)NC(=O)c1cc2ccccc2oc1=O 2883332 DILUTDBSTLSDKC-SECBINFHSA-N 261.277 1.558 0 50 CDAA Cc1c(C(=O)N[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 4755757 KFLMZZNRFKJTBR-SNVBAGLBSA-N 293.344 1.658 0 50 CDAA O=C([C@@H]1CCCN1[C@H]1C=CCCC1)N1CCOCC1 225247422 LZBUJNAIISDAGH-KBPBESRZSA-N 264.369 1.418 0 50 CDAA CN(C)c1ccc(CN2C(=O)[C@@H]3CCCCN3C2=O)cn1 225555538 PPFHQVVMTHLPFS-LBPRGKRZSA-N 288.351 1.464 0 50 CDAA Cc1cc(C(=O)NCC2(C(N)=O)CCCC2)ns1 225523305 RLFIGFSDOHQWKS-UHFFFAOYSA-N 267.354 1.227 0 50 CDAA Cc1n[nH]cc1CN[C@H](C)C(=O)Nc1ccccc1 112100005 UTQXOTWCPIFLQP-LLVKDONJSA-N 258.325 1.835 0 50 CDAA Cn1cc(C(=O)NCc2cc3ccccc3n(C)c2=O)cn1 343405603 RPPUUVMXCVXCRG-UHFFFAOYSA-N 296.330 1.202 0 50 CDAA O=C(CC[C@H]1CCNC1)Nc1ccc2c(c1)CCC(=O)N2 134487567 HOFMURLNQZULIY-NSHDSACASA-N 287.363 1.900 0 50 CDAA COC(=O)[C@H](Cc1cccnc1)NC(=O)OC(C)(C)C 22014360 SSDWIXLMXFPEAW-NSHDSACASA-N 280.324 1.690 0 50 CDAA CC(C)(C)c1cc(CNC(=O)[C@]2(C)CCCO2)n[nH]1 20207570 NHYMDJYMHFTZEJ-AWEZNQCLSA-N 265.357 1.893 0 50 CDAA CCCn1cc(C(=O)NCCc2csc(N)n2)c(C)n1 65423513 QCHKSFALJGZIIG-UHFFFAOYSA-N 293.396 1.613 0 50 CDAA CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@H]2OC(=O)C[C@@H]12 36431660 UMDQPEMZJHAFNL-LAJPVCDTSA-N 268.353 1.796 0 50 CDAA in-vitro NC(=O)c1c(F)cccc1-n1ncc2cccnc21 65528402 GMOXVLJWHYJYLM-UHFFFAOYSA-N 256.240 1.659 0 50 CDAA CCCc1nc(C)c(CNC(=O)c2cnon2)s1 67727034 DPCXBVNQVLAXKE-UHFFFAOYSA-N 266.326 1.717 0 50 CDAA Cc1c([C@@H](C)NC(=O)OC[C@@H]2CCCO2)cnn1C 253415555 GNWZIQGWTICHRO-KOLCDFICSA-N 267.329 1.695 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)Cc1c[nH]c2ccccc12 67983158 LFAMJCNBKWEMAO-OLZOCXBDSA-N 297.358 1.590 0 50 CDAA COCC1(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCC1 65385001 VIICTZFZGZRENL-AWEZNQCLSA-N 296.411 1.126 0 50 CDAA CCC(=O)N[C@H]1CCCO[C@@H]1c1cnn(CC)c1 331191471 LJJRXOHGJSZORD-WCQYABFASA-N 251.330 1.649 0 50 CDAA CN(C)c1cccc(CNC(=O)c2ccc3nc[nH]c3n2)c1 355612800 VCZWPDNAAAOUSF-UHFFFAOYSA-N 295.346 1.954 0 50 CDAA CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2C=CCCC2)cc1 127842484 IVEGZWNCJYVYLE-GFCCVEGCSA-N 294.376 1.433 0 50 CDAA NC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cn1 122520004 NRNBAYAHALUZDG-AWEZNQCLSA-N 296.330 1.553 0 50 CDAA CCN1CCN(C(=O)C[C@H]2C=CCC2)C[C@@H]1c1ncc[nH]1 328620294 GWIAEPGDEUUDPI-UONOGXRCSA-N 288.395 1.971 0 50 CDAA Cc1ccc(O[C@H]2CCN(S(=O)(=O)C3CC3)C2)cn1 328635480 UVOOWOGJZJLWCQ-LBPRGKRZSA-N 282.365 1.335 0 50 CDAA C[C@H]1CCC[C@@H](OCC(=O)Nc2ccn(CC(=O)O)n2)C1 123081314 AXNLGLMZGXUTNI-WDEREUQCSA-N 295.339 1.502 0 50 CDAA O=S1(=O)C[C@@H](O)c2cc(Br)ccc21 218404045 AUOMRBNQWQRJBQ-SSDOTTSWSA-N 263.112 1.270 0 50 CDAA CC(C)(C(=O)NCc1csc(O)n1)C(F)F 331020909 OZLNNCUVBTXBDF-UHFFFAOYSA-N 250.270 1.756 0 50 CDAA CC(C)CN1CCN(Cc2cscn2)[C@@H](C)C1=O 72168213 LLSTXJAKFURTNS-NSHDSACASA-N 267.398 1.832 0 50 CDAA CCc1nccn1CC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77406924 KAQALTULCLBMDY-GFCCVEGCSA-N 287.367 1.575 0 50 CDAA Cn1cc(-c2ccc(NS(C)(=O)=O)cc2)cn1 32537305 KDOAQSSAVJGOKJ-UHFFFAOYSA-N 251.311 1.459 0 50 CDAA Cc1cc(C[C@H](C)NC2CCC3(CC2)OCCO3)n[nH]1 156771466 VQGDQYPQJPKNBU-NSHDSACASA-N 279.384 1.924 0 50 CDAA NC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc12 72140239 TXVUWUPLGPRCQR-HNNXBMFYSA-N 297.358 1.016 0 50 CDAA Cc1ncsc1CCNC(=O)N1C[C@H]2CC[C@H]1CN2 333329458 VYLOFSWAXJNNRS-MNOVXSKESA-N 280.397 1.140 0 50 CDAA CCN(C(=O)C[C@@H]1COCCN1)c1ccc(OC)cc1 262031589 FCJMIFJMCJILHP-GFCCVEGCSA-N 278.352 1.427 0 50 CDAA COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)c(C)c1 237325651 DFJKPJPEVPNQLU-DGCLKSJQSA-N 298.408 1.409 0 50 CDAA O=C(O)CC[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O 218714081 QGJWUTRJGIZTOQ-JTQLQIEISA-N 296.710 1.625 0 50 CDAA CO[C@H](C)CS(=O)(=O)N1C[C@H](C(=O)O)c2ccccc21 337756161 LYUVRDLNBRPGMR-KOLCDFICSA-N 299.348 1.040 0 50 CDAA Cc1cccc(-n2cc(C(=O)N3CCCC[C@H]3CN)nn2)c1 237824143 MEIZFUSEWVIRDO-AWEZNQCLSA-N 299.378 1.529 0 50 CDAA Cc1nccc(Sc2nnc(C3CCNCC3)n2C)n1 78267289 HWRAELNDOVFCHY-UHFFFAOYSA-N 290.396 1.532 0 50 CDAA CC(=O)Nc1ccc(C(=O)N[C@H]2CCC[C@H]2F)nc1 336431217 GXEJEMLRWYFPRY-MNOVXSKESA-N 265.288 1.660 0 50 CDAA COC(=O)CCCCC[C@@H](OC(C)=O)C(=O)OC 45071180 HVCZHCDCQHPCRX-SNVBAGLBSA-N 260.286 1.215 0 50 CDAA CCn1c(CCNc2ncncn2)nc2ccccc21 222768819 LYQYGRDZGCQEMR-UHFFFAOYSA-N 268.324 1.896 0 50 CDAA N[C@H]1CCN(Cc2ccccc2Cn2cccn2)C1 426511833 WIEPQGLZTNGIRD-HNNXBMFYSA-N 256.353 1.464 0 50 CDAA CC(C)c1nc(CCN(C)C(=O)[C@]2(C)CCCO2)no1 426514515 AXPKEGOEEZYSFL-AWEZNQCLSA-N 281.356 1.763 0 50 CDAA O=C(Cc1nc2ccccc2[nH]1)NCc1ccno1 426478826 AEKZEJOYAOMOHO-UHFFFAOYSA-N 256.265 1.410 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)CCn2ccnc2C)C1 222344008 MSZGEWYZBMZGQC-CQSZACIVSA-N 279.384 1.999 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)C1 178273994 ZXEIMEYAXGWAGF-NSHDSACASA-N 286.287 1.888 0 50 CDAA Cc1ccc([C@H](C)NC(=O)CCN2CCN(C)CC2)nc1 222953122 WASAYLIYKNJAOA-AWEZNQCLSA-N 290.411 1.205 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)[C@H]1CCCN1Cc1ccccc1 294187684 FTUNTOJBCCBQIP-GXTWGEPZSA-N 290.363 1.583 0 50 CDAA Cc1ccccc1[C@@H](C(=O)N1CCC(O)CC1)N(C)C 91462574 HCBSOMLRELSVBB-HNNXBMFYSA-N 276.380 1.581 0 50 CDAA Cc1cnc(N)nc1N[C@@H](CO)Cc1ccc(O)cc1 95358205 QOGWHYMMBJIAAC-LLVKDONJSA-N 274.324 1.088 0 50 CDAA c1cnc(N2CCC(NCCC[C@@H]3CCOC3)CC2)nc1 96165714 FHDHPHXMSCGTFQ-CQSZACIVSA-N 290.411 1.852 0 50 CDAA O=C(CCc1n[nH]c2c1CCCC2)NCC(F)(F)F 96164844 IGLFYJTVZCOVRV-UHFFFAOYSA-N 275.274 1.900 0 50 CDAA CCCc1nnc(N2CC[C@@H](N(CC)CC)C2)o1 95376539 HGVFCJDYMNZDRL-LLVKDONJSA-N 252.362 1.943 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 97455243 WPLPYQYHVZXYLU-BJDJZHNGSA-N 271.357 1.375 0 50 CDAA CCc1nccn1CCNC(=O)CCCn1ccnc1 244828572 TYRLYNYHIRBYFC-UHFFFAOYSA-N 275.356 1.239 0 50 CDAA C[C@H](c1ccncn1)N(C)Cc1nc(C2CC2)no1 252502452 UQRRJHMEIJLPTD-SECBINFHSA-N 259.313 1.930 0 50 CDAA CCc1cnccc1C(=O)N1CCC[C@H]2C(=O)N(C)C[C@H]21 299742856 IYBBZCPNUMAJNA-ZIAGYGMSSA-N 287.363 1.337 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1ccccc1OC1CCC1 299751881 SCTBOPCJHWWSQH-OLZOCXBDSA-N 289.331 1.955 0 50 CDAA CC1CCN(C(=O)CN2CCC[C@H](CC(=O)O)CC2)CC1 299746408 XDYHBLGTXHNNRO-AWEZNQCLSA-N 296.411 1.822 0 50 CDAA O=C(C[C@H]1CCOC1)N[C@@H](C(=O)O)c1ccccc1 299752727 VEHICGJFZIBILT-ZWNOBZJWSA-N 263.293 1.355 0 50 CDAA Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)cs1 534637739 RTCVGOMYQAIFAA-STQMWFEESA-N 280.393 1.650 0 50 CDAA CC[C@H](NC(=O)c1cncs1)c1ncnn1C 534653002 PJYHYLKGVNLNMC-ZETCQYMHSA-N 251.315 1.153 0 50 CDAA CCN(C)C[C@H](C)CNC(=O)N(C)Cc1ccon1 534637080 IKGASXVJFPYTHO-LLVKDONJSA-N 268.361 1.404 0 50 CDAA Cn1ccc(CN2CC3(COc4ccccc4C3)C2)n1 1940195567 XXLJUUSSKODLSF-UHFFFAOYSA-N 269.348 1.857 0 50 CDAA O=C(NCCc1cn[nH]c1)N1CC[C@H](N2CCCCC2)C1 290858566 BHEFDMWEWRTDDB-AWEZNQCLSA-N 291.399 1.222 0 50 CDAA Cc1cc2nc(C(=O)N[C@H](C)c3n[nH]c(C)n3)cc(C)n2n1 670469552 IBEPXGFFRPUTGW-SECBINFHSA-N 299.338 1.264 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCc1cccn1C 584891935 HMXOLSCSYNUEAC-GJZGRUSLSA-N 293.411 1.182 0 50 CDAA CCn1ccc(CN2CC[C@@H](O)CC(C)(C)C2)n1 670469207 BSOYRSRWRXFQSU-CYBMUJFWSA-N 251.374 1.886 0 50 CDAA Cc1cc(C)n(CCN(C)CC[C@@H]2CCS(=O)(=O)C2)n1 670462190 CSPVQQOZUWRIGH-CQSZACIVSA-N 299.440 1.257 0 50 CDAA O=C([C@@H]1CCCN(c2ccncc2F)C1)N1CCOCC1 678788225 FPDDLCYVOXLRHW-GFCCVEGCSA-N 293.342 1.296 0 50 CDAA COCCC1(c2nc(-c3cnn[nH]3)no2)CCCC1 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2325880009 PWSPXAZFIFPSBN-UHFFFAOYSA-N 290.352 1.287 0 50 CDAA CC(C)[C@]1(O)Oc2c(ccc3c2CO[C@](C)(O)C3)C1=O 2332924303 BPYDTNLWWSASIQ-GJZGRUSLSA-N 278.304 1.388 0 50 CDAA COc1cc(C=O)ccc1OC(=O)N1CCOCC1 34727 BDDRVKWDFUPFJD-UHFFFAOYSA-N 265.265 1.339 0 50 CDAA biogenic,in-vitro Cc1cccc(OCC(=O)NC[C@@H]2CCCO2)c1C 122168 UPMPQBZVCYDMQF-ZDUSSCGKSA-N 263.337 1.977 0 50 CDAA CS(=O)(=O)c1ccc(NN)c(Br)c1 154135 CCGWLSRTZZBNTG-UHFFFAOYSA-N 265.132 1.138 0 50 CDAA CCCC1=NN(C(=O)OC)[C@](O)(C(F)(F)F)C1 248785 DKLZXFUOYUQEQJ-MRVPVSSYSA-N 254.208 1.866 0 50 CDAA O=c1c(-c2ccc(F)cc2)[n+]([O-])c2ccccc2n1O 545922 XMGQMCTURZXRLC-UHFFFAOYSA-N 272.235 1.678 0 50 CDAA COc1ccc(OCC(=O)OCCCN(C)C)cc1 1856449 NBAPSBYXHUDEOL-UHFFFAOYSA-N 267.325 1.569 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NCCCO)c(C)c1 2054655 WEHURUOANAMOQV-UHFFFAOYSA-N 257.355 1.273 0 50 CDAA CCCN1CCC(N[C@H]2CCCCNC2=O)CC1 4030534 SIAGKKVXHNAWGE-ZDUSSCGKSA-N 253.390 1.119 0 50 CDAA COCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccccc1 4237892 LWLDIFNJOLYNQS-DGCLKSJQSA-N 263.293 1.307 0 50 CDAA COC[C@H](C)NCc1ccc(OC)c(OC)c1OC 4685554 CTAIAXZIQQOWFD-JTQLQIEISA-N 269.341 1.837 0 50 CDAA CC[C@H](C)Nc1nc(NC(C)C)nc(Nn2cnnc2)n1 4947275 PCEIKLQJDMJQGA-VIFPVBQESA-N 291.363 1.369 0 50 CDAA COc1cc(S(=O)(=O)N(C)C)c(OC)cc1C 6743553 XDUOWLWCLRLATO-UHFFFAOYSA-N 259.327 1.263 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)cc1 8743627 NEISXYOZGFOUHF-NSHDSACASA-N 285.307 1.417 0 50 CDAA Cn1cc(Cn2cc(C(F)(F)F)ccc2=O)cn1 225502778 VIWDKGCAPMBCTJ-UHFFFAOYSA-N 257.215 1.649 0 50 CDAA CCCCn1nnnc1NC(=O)N1CCO[C@H](CC)C1 23214118 VHBXORRCLRGTHU-SNVBAGLBSA-N 282.348 1.116 0 50 CDAA CSc1ncc(C(=O)NCc2ccccc2)c(N)n1 57477986 QOEZHLMVVKNFOV-UHFFFAOYSA-N 274.349 1.711 0 50 CDAA CC[C@]1(C(=O)O)CCCN(Cc2nccn2C)C1 62877677 YYWIQGICAUMSIY-ZDUSSCGKSA-N 251.330 1.497 0 50 CDAA c1ccc2oc(N3CCN(Cc4ncc[nH]4)CC3)nc2c1 67447057 VWTZJOHKEHEUAY-UHFFFAOYSA-N 283.335 1.873 0 50 CDAA CC(C)(C)CCCC(=O)NS(=O)(=O)c1cnccn1 152391466 DGONALVNHBQTOB-UHFFFAOYSA-N 285.369 1.498 0 50 CDAA COC(=O)c1ccc(C(=O)NC[C@@H]2CCCCO2)nc1 20210420 OYWCVZHKVNTGJI-NSHDSACASA-N 278.308 1.167 0 50 CDAA COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C/C=C/c1ccco1 65383930 MATWKYLTCKJNHG-HRLNJXSSSA-N 278.352 1.470 0 50 CDAA Cn1ccnc1[C@H](O)CNC(=O)[C@@H]1CCc2ccccc2C1 20598622 IBQQIUWHJWBBJF-HUUCEWRRSA-N 299.374 1.375 0 50 CDAA C[C@@H](c1n[nH]c(-c2ccccc2)n1)N1CCN(C)CC1 65408286 ZCBZZKHBQBKPOD-LBPRGKRZSA-N 271.368 1.780 0 50 CDAA O=C1C[C@H](C(=O)Nc2ccc3[nH]ncc3c2)CCN1 120209911 SOEHKOPGYYSLSI-MRVPVSSYSA-N 258.281 1.028 0 50 CDAA CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@H]1CCNC1 252656867 WHYYFXQITIXYID-WCFLWFBJSA-N 280.318 1.889 0 50 CDAA OCCN1CCN(CCOc2ccc3c(c2)CCC3)CC1 33359708 SCJHNKXUQLGERX-UHFFFAOYSA-N 290.407 1.164 0 50 CDAA COC(=O)[C@H]1CC12CCN(C(=O)[C@H](OC)C1CC1)CC2 328594310 ZNONOEPEGKHPLV-VXGBXAGGSA-N 281.352 1.213 0 50 CDAA O=C(NC1CC1)c1noc([C@@H]2CCCN2CC2CCC2)n1 328656912 ZUJXXNIQJKWADK-LBPRGKRZSA-N 290.367 1.899 0 50 CDAA c1cnc2ncc(CN(C[C@H]3CCCN3)C3CC3)n2c1 328621113 AGFZXWMOFNVTKM-GFCCVEGCSA-N 271.368 1.446 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@H]1CCCOC1 328628552 NVUJDOLBPGOGDV-OLZOCXBDSA-N 277.368 1.331 0 50 CDAA Cc1cc([C@H](NC(=O)C2CC2)C(=O)O)ccc1F 257690088 NIIFTNRLJUCHIL-NSHDSACASA-N 251.257 1.786 0 50 CDAA COc1ccc(NC(=O)Cn2nc(C)c(C)cc2=O)cc1 72119216 YOHCUMUCTYNIOH-UHFFFAOYSA-N 287.319 1.507 0 50 CDAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2cnn(C)n2)C1 368069689 AUWIFKIKOGOWPA-CYBMUJFWSA-N 291.355 1.211 0 50 CDAA Cn1cc(Cl)cc1C(=O)Nc1ccc(C(N)=O)nc1 127690611 OVDXVGSOQWOWLT-UHFFFAOYSA-N 278.699 1.425 0 50 CDAA Cc1cnc(N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)nc1 372322040 RQJUXUVZNGHFCR-UONOGXRCSA-N 287.367 1.611 0 50 CDAA CCOC[C@@H](C)N[C@H]1CCO[C@@H]1c1ccnn1C 492875798 MPZXPKPXJMQDPU-MDZLAQPJSA-N 253.346 1.265 0 50 CDAA O=C(O)CCNC(=O)N1CCc2c(F)cc(F)cc2C1 334596702 SNARXPTWTURVKL-UHFFFAOYSA-N 284.262 1.507 0 50 CDAA CCO[C@H]1COC[C@@H]1Nc1cc(CC)nc2ccnn12 72447435 ZIXRPXZJKLEYLB-RYUDHWBXSA-N 276.340 1.508 0 50 CDAA C[C@@H](N)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 157965323 UFHNJPJMSJFLNE-ZJUUUORDSA-N 268.744 1.667 0 50 CDAA CN1CCC2(CCC1=O)CCN(Cc1ncc[nH]1)CC2 216330096 JMHIAMARQLCEDM-UHFFFAOYSA-N 276.384 1.634 0 50 CDAA CCCN(Cc1ncnn1CC)C[C@H]1CCCO1 216362784 UGPYLTZIPMFBAO-GFCCVEGCSA-N 252.362 1.689 0 50 CDAA CNC[C@@H]1CCCN(C(=O)Cc2ccc(OC)c(F)c2)C1 158870135 VNOUCBPOAJHHQP-ZDUSSCGKSA-N 294.370 1.835 0 50 CDAA CO[C@H]1CCCN(C(=O)c2cc(CC(C)C)nc(N)n2)C1 216458838 MGHUIYYKDLWCBQ-LBPRGKRZSA-N 292.383 1.508 0 50 CDAA Cc1cnccc1CC(=O)N[C@@H]1CCC(=O)NC12CCC2 283634648 NJAKJSVQSUQPTP-CYBMUJFWSA-N 287.363 1.250 0 50 CDAA NC(=O)COc1ccccc1OCc1nc(C2CC2)no1 72165557 VMTRIUISNPOTPN-UHFFFAOYSA-N 289.291 1.390 0 50 CDAA Cc1oc(C(C)C)cc1C(=O)NCC1(O)CCOCC1 285918667 DREWTCXCRMUWKB-UHFFFAOYSA-N 281.352 1.983 0 50 CDAA COc1cc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)ccc1C 223970153 JHRZISFVOWNATJ-DYEKYZERSA-N 261.321 1.911 0 50 CDAA CO[C@H]1CCN(C(=O)c2ccc(C)s2)[C@H](CN)C1 161077713 RVUOIYZMILXWCL-QWRGUYRKSA-N 268.382 1.635 0 50 CDAA CNc1nc(Cl)ncc1I 141878812 YTDBEZFCZKWKEI-UHFFFAOYSA-N 269.473 1.776 0 50 CDAA CCCO[C@H]1CCCN(C(=O)c2cc(=O)cc(C)[nH]2)C1 426536534 RIOFTJZRIVJFIV-ZDUSSCGKSA-N 278.352 1.715 0 50 CDAA COc1ncc(C(=O)N(C)CCC[C@H]2CCCO2)cn1 426526883 NXBNPFHZSXEPPR-LBPRGKRZSA-N 279.340 1.516 0 50 CDAA O=C(NCc1ccoc1)c1cnc(-c2ccccn2)nc1O 91603802 JPCPDFIDMDOOAC-UHFFFAOYSA-N 296.286 1.767 0 50 CDAA Cc1[nH]cnc1CN1CCCO[C@@H](CN2CCCC2)C1 97480393 XAAFQBKDNDOPEW-AWEZNQCLSA-N 278.400 1.405 0 50 CDAA O=C(O)[C@@H]1[C@H](C(=O)n2cc(Cl)cn2)[C@H]2CC[C@H]1O2 239338794 LGGURPIPWWDILZ-BGZDPUMWSA-N 270.672 1.055 0 50 CDAA O=c1c2ccccc2ncn1Cc1nc([C@H]2CCOC2)no1 96137579 UXRHZQBFENKVNX-JTQLQIEISA-N 298.302 1.332 0 50 CDAA Cc1ccc(NC(=O)NCCSc2cn[nH]n2)c(C)n1 96151965 ZNRVZJSJTPCHNN-UHFFFAOYSA-N 292.368 1.730 0 50 CDAA C[C@@H]1CN(C(=O)CCc2ccncc2)CC[C@]1(C)O 91650438 SUPYAIYHDXXEKV-DOMZBBRYSA-N 262.353 1.634 0 50 CDAA O=C1N(Cc2ccncc2)CCCN1C1CCNCC1 526056081 PYLLHKVULHBHMP-UHFFFAOYSA-N 274.368 1.461 0 50 CDAA COc1ccc2c(c1)CCN(C(=O)[C@@H]1CC(C)=NO1)C2 244773791 PGQOALIYUAQEOA-AWEZNQCLSA-N 274.320 1.745 0 50 CDAA COCCN1C[C@H](Cc2cnc(OC)cc2C)CC1=O 244602047 DWTWLPDQMDVHOU-GFCCVEGCSA-N 278.352 1.436 0 50 CDAA COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@H]4[C@H]5[C@H](C[C@@H]1[C@H]5[C@@H]42)[C@H]3C(=O)OC 257358191 SCBCSFDSFNSKCV-YTMMNVRISA-N 276.332 1.343 0 50 CDAA O=C(Cn1cnc2c(c1=O)CCC2)c1ccc2c(c1)CCO2 184106840 HOSJCYNFOLANPP-UHFFFAOYSA-N 296.326 1.550 0 50 CDAA C[C@@H](C(=O)O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 299748839 IJWMBNCJZNTLDL-UFBFGSQYSA-N 271.263 1.811 0 50 CDAA Cc1cnn([C@@H](C)CNC(=O)c2n[nH]c(C)c2Cl)c1 534590142 SNKCRXLZCPVLHI-QMMMGPOBSA-N 281.747 1.867 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc2ccccc2n1 629216817 MASXEYPURDTBHL-JSGCOSHPSA-N 272.304 1.114 0 50 CDAA Cc1cccnc1[C@H](C)NS(=O)(=O)N1CCCC1 534593313 MVVCPLWAZHKQAG-NSHDSACASA-N 269.370 1.381 0 50 CDAA Cc1ccc(C2(NC(=O)c3cnc(O)[nH]3)CC2)cc1 534640027 HBKZOPBJGALYOU-UHFFFAOYSA-N 257.293 1.843 0 50 CDAA CNC(=O)c1cc2n(n1)C[C@H](c1ccc(F)cc1)OC2 263617528 OGPHERNXCDEIOA-CYBMUJFWSA-N 275.283 1.653 0 50 CDAA Cn1nc2c(c1NC(=O)NC[C@H]1CCCO1)CCC2 299766283 MWHKDECIINSCJH-SECBINFHSA-N 264.329 1.209 0 50 CDAA Cc1ccc(OCCC(=O)N2CC[C@@H](N)C2)c(C)c1 237702794 FMKHXKYMTUVURI-CYBMUJFWSA-N 262.353 1.632 0 50 CDAA CN1CCC(O)(c2n[nH]c(-c3c[nH]c4ccccc34)n2)CC1 823761069 DMGNYIMONWNHIN-UHFFFAOYSA-N 297.362 1.866 0 50 CDAA CC[C@H](O)Cn1ncnc1-c1cnn2cc(C)cnc12 822619933 OAWYSVNRQVSRBI-JTQLQIEISA-N 272.312 1.067 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@](O)(C[C@H]2CO2)C1 669371853 BUVYZVITAFVIOT-GXFFZTMASA-N 257.330 1.537 0 50 CDAA Cc1sc2nc(-c3cn(C)nn3)nc(O)c2c1C 585137393 WSCLHIHYMSACNA-UHFFFAOYSA-N 261.310 1.809 0 50 CDAA CC[C@H](c1ccnn1C)n1cnc2cnccc2c1=O 584899876 NKCLWXFIHXMGKX-GFCCVEGCSA-N 269.308 1.524 0 50 CDAA O=C(Cn1nc2ccccc2n1)NCc1cc(C2CC2)n[nH]1 670456853 WGKIJVPYKQBKCP-UHFFFAOYSA-N 296.334 1.348 0 50 CDAA C[C@@H](CCCC(C)(C)O)CCN1CCCNC(=O)C1 670435511 UEFIFWMVDMNRMX-ZDUSSCGKSA-N 270.417 1.776 0 50 CDAA c1ccc2oc(N3CCN(CCc4ncc[nH]4)CC3)nc2c1 670451742 PEPUHAQOEAOPED-UHFFFAOYSA-N 297.362 1.916 0 50 CDAA C[C@@H]1CCN(C(=O)NCC[S@](C)=O)C[C@@H](C)C1 685939776 SYZXNUSNVZUFGP-RLFDGXBXSA-N 260.403 1.443 0 50 CDAA CN(CC(F)(F)F)[C@H]1CCC[C@H]1S(C)(=O)=O 241590482 PFFFUKUERBXVEL-JGVFFNPUSA-N 259.293 1.446 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2c[nH]nc2C(C)(C)C)no1 1466194014 SNAHTAKSBGKAHO-SSDOTTSWSA-N 277.328 1.890 0 50 CDAA COC[C@H](O)CN1CCN(c2cccc(Cl)c2)C[C@@H]1C 408519039 UUUFESRQRGLRGT-SWLSCSKDSA-N 298.814 1.858 0 50 CDAA COc1cccc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)c1 408520479 HLOFDQZTBSZEPA-BETUJISGSA-N 292.379 1.222 0 50 CDAA O[C@@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@H]1O 278607117 FQEUIZNCMMYEJI-RKDXNWHRSA-N 289.118 1.676 0 50 CDAA CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@]2(C)CC)[nH]n1 170593684 IPHAULFKZKTFEX-SDBXPKJASA-N 265.313 1.961 0 50 CDAA CC1(C)NC(=O)N(Cc2nnc(C(C)(C)C)s2)C1=O 170592744 JTPMPPCPAKFFDG-UHFFFAOYSA-N 282.369 1.666 0 50 CDAA CNc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc(Cl)n1 165430787 YLUNZVWKHZFOPS-MRVPVSSYSA-N 297.742 1.714 0 50 CDAA C[C@@H](CNC(=O)c1ccncc1F)N1CCCCC1=O 170619105 GRYIYGOHSLPKKQ-JTQLQIEISA-N 279.315 1.352 0 50 CDAA CCc1nn(C)cc1Nc1ncnc2c1ncn2CC 271392942 WIQCZCLJWJVBEV-UHFFFAOYSA-N 271.328 1.886 0 50 CDAA Cc1nonc1CS(=O)(=O)c1ccc2c(c1)OCCO2 279853650 DYPMXDZNMVATEB-UHFFFAOYSA-N 296.304 1.123 0 50 CDAA O=S(=O)(c1ccco1)N1CCO[C@H]2CCC[C@@H]21 275479890 NKKXABCHVSBYLX-UWVGGRQHSA-N 257.311 1.222 0 50 CDAA COCCN1CCC(Nc2cncc(OC(C)C)n2)CC1 548117611 YUKJCWJRBNILSF-UHFFFAOYSA-N 294.399 1.787 0 50 CDAA CC(=O)NC1CN(c2ccnc(-c3ccccc3)n2)C1 276066374 JITBVVYZOHMJLH-UHFFFAOYSA-N 268.320 1.468 0 50 CDAA Cc1ccc2cc(C(=O)N3CCN(C4CC4)C(=O)C3)[nH]c2c1 170017999 VTGKHEXBJDJBAC-UHFFFAOYSA-N 297.358 1.923 0 50 CDAA COC(=O)[C@H](C)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 170091573 VMUWURLJKWYFEL-YDHLFZDLSA-N 276.380 1.973 0 50 CDAA CNC(=O)C1(NC(=O)c2ccc3cc[nH]c3c2)CCCC1 751237351 BYWJMTUOZUXJOI-UHFFFAOYSA-N 285.347 1.957 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1occc1C 643762774 IEHYFGZMIBJIPS-ZDUSSCGKSA-N 252.314 1.054 0 50 CDAA Cc1cc(C)nc(NC(=O)CN2CCCC[C@H](O)C2=O)c1 644403390 TYSCZFSOKNSOAD-LBPRGKRZSA-N 291.351 1.010 0 50 CDAA Cn1cc(C(=O)NCCc2nc3c(s2)CCCC3)cn1 195131423 OZEBBLKSOZELHP-UHFFFAOYSA-N 290.392 1.728 0 50 CDAA O=C(Cc1ccc(F)cc1Cl)N1CC[C@H](CO)C1 195546438 SBYSFVPJWSXEEZ-VIFPVBQESA-N 271.719 1.862 0 50 CDAA O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1CCO 198898722 CWGIHUKKVIGOGZ-HNNXBMFYSA-N 294.310 1.794 0 50 CDAA biogenic Cc1ccc(CC(=O)N[C@H]2CCc3[nH]c(=N)sc3C2)o1 577069589 MQTRXCLVTVGCNC-VIFPVBQESA-N 291.376 1.673 0 50 CDAA O=C(NCC(=O)N1CCC=C(Cl)C1)c1ccc(F)cc1 585130324 MXEGSZMIROEACN-UHFFFAOYSA-N 296.729 1.911 0 50 CDAA C[C@@]12CNC[C@]1(C)CN(C(=O)c1cccc(C(=O)O)c1)C2 585138130 PYEKJNCYNWYHRP-IYBDPMFKSA-N 288.347 1.456 0 50 CDAA C=CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 791393932 UWVBVNAEYRGVFD-NSHDSACASA-N 282.702 1.887 0 50 CDAA O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(F)c(O)c1 1615586148 JHGWKQJQXVAVCR-JQWIXIFHSA-N 267.300 1.812 0 50 CDAA Cc1cccc(N2CCC(N3CC(O)C3)CC2)c1C 1506428505 XMAYRHBQUTUXRP-UHFFFAOYSA-N 260.381 1.949 0 50 CDAA CCOC(=O)[C@H](Cc1ccccc1)[N@@]1C[C@@H]1C(=O)OC 1857666462 VYHXXEAMSGRODS-WOSRLPQWSA-N 277.320 1.018 0 50 CDAA COC(=O)c1ccc(Cn2c(C)cc(=O)cc2O)o1 1547206344 KNSXCIKGZRCLAU-UHFFFAOYSA-N 263.249 1.290 0 50 CDAA CC[C@@H](C(N)=O)N1CC[C@@H](CN2CCCCC2)C1 229838834 PMRLKSKXVNRLFN-STQMWFEESA-N 253.390 1.058 0 50 CDAA CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N1O[C@@]13C2(Cl)Cl 5983600 HAMBQYFZDBYWHU-VYBWYVTGSA-N 298.191 1.883 0 50 CDAA in-vitro Cn1nc(C(F)(F)F)cc1CNC1(C(=O)O)CCCC1 663260848 WSYLFUPDCXKGDP-UHFFFAOYSA-N 291.273 1.926 0 50 CDAA Cc1ccc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 5751830 CXZXKFWOJITWDT-CYBMUJFWSA-N 282.365 1.694 0 50 CDAA CCCC[C@@H](C(=O)OC)n1ncc(N(C)C)cc1=O 19773547 IPEQABPTICVGMT-NSHDSACASA-N 267.329 1.214 0 50 CDAA O=C(O)C(=O)CC(=O)c1ccc(N2CCCCC2)cc1 19850346 MSACGCINQCCHBD-UHFFFAOYSA-N 275.304 1.903 0 50 CDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@H]2C[C@@H]21 169403352 KXVWFEGJEZGMMS-RNJOBUHISA-N 267.288 1.102 0 50 CDAA COc1cc2c(cc1CN1C[C@@H](N)C[C@@H](O)C1)CCC2 1857670148 WKFICAQIBFNWQL-LSDHHAIUSA-N 276.380 1.078 0 50 CDAA c1ccc2c(c1)nnn2CNCn1nnc2ccccc21 2819752 RWMFBMBMAVVXNG-UHFFFAOYSA-N 279.307 1.381 0 50 CDAA in-vitro C[C@@H]1OCCC[C@@H]1C(=O)NCc1ncnn1C(C)(C)C 408469369 GOJSHCUASCASRB-QWRGUYRKSA-N 280.372 1.464 0 50 CDAA Cn1cc(-c2cccc(CN3CC[C@H](C(N)=O)C3)c2)cn1 362104684 DWQYUNGWTHFUNA-AWEZNQCLSA-N 284.363 1.394 0 50 CDAA C[C@@H]1CN(C(=O)C2(C(=O)O)CC2)C[C@H](c2ccccc2)O1 154826052 WEBQKHGKKMNSAG-DGCLKSJQSA-N 289.331 1.840 0 50 CDAA COc1nc(C)nc(N2CCC[C@H](NC(C)=O)C2)c1C 159340075 NXRPSLYSJBMFMW-LBPRGKRZSA-N 278.356 1.207 0 50 CDAA CC1(C)[C@H](O)CCN1C(=O)c1cc2ccccn2c1 584814808 OQQDQPUYFPTYTM-CYBMUJFWSA-N 258.321 1.925 0 50 CDAA O=C(O)[C@H]1CCN(Cc2cc(F)c(F)c(F)c2)C[C@H]1O 1704313971 VICVDLPPTPLFGL-GZMMTYOYSA-N 289.253 1.371 0 50 CDAA CC1(C(=O)Nc2cc(NC(=O)C3(C)CC3)ncn2)CC1 906348663 LVHJHNYTJFAQEX-UHFFFAOYSA-N 274.324 1.954 0 50 CDAA CN1CC[C@](C)(C(=O)N[C@@H]2C[C@@H](O)c3ccccc32)C1=O 824510153 XBNUXGBHGQLXDJ-XJKCOSOUSA-N 288.347 1.149 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1cc(C)cc(OC)c1C 861372245 BBSKTEUIZRLJBD-UHFFFAOYSA-N 276.336 1.895 0 50 CDAA O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1ncc[nH]1 1160719675 HDBTVVSYFHJLGQ-UHFFFAOYSA-N 281.275 1.825 0 50 CDAA CN1C[C@@H](C(F)(F)F)[C@@H](C(=O)Nc2c[nH]ccc2=O)C1 952880128 BRSNONYTFKMKPW-JGVFFNPUSA-N 289.257 1.054 0 50 CDAA COCCn1cc(CNc2cnc3[nH]ncc3c2)cn1 952992940 TVZXTFWZHAAVRO-UHFFFAOYSA-N 272.312 1.413 0 50 CDAA Cc1cc(F)ccc1CN(C=O)CC1(C)OCCO1 1875325706 TZMGNZACHWSYKE-UHFFFAOYSA-N 267.300 1.856 0 50 CDAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc3ocnc3c2)cn1 1875382228 VPAGLIIEIKHJGS-BLVKFPJESA-N 284.319 1.825 0 50 CDAA C[C@H](Cc1ccccc1F)N[C@H]1CS(=O)(=O)C1(C)C 877871973 ZKXFGNHEYHOZPS-MFKMUULPSA-N 285.384 1.922 0 50 CDAA Cc1cnc2c(c1)N(C(=O)C[C@H]1CCC(=O)NC1)CC2 888144665 OZGUZYRPBYJQIO-LLVKDONJSA-N 273.336 1.195 0 50 CDAA CN(C[C@H]1CCCOC1)C(=O)c1cncc2nc[nH]c12 896260836 VUKPRFDBWXMUAF-SNVBAGLBSA-N 274.324 1.457 0 50 CDAA CCc1n[nH]cc1NC(=O)c1ncn(C(C)(C)C)n1 1775989770 APLIASBIKZNRMZ-UHFFFAOYSA-N 262.317 1.571 0 50 CDAA O=S(=O)(Cc1cnn(CCF)c1)c1ccccn1 899465976 TUQNLDYNAWVTLK-UHFFFAOYSA-N 269.301 1.222 0 50 CDAA Cc1ocnc1C(=O)N1CCC(CC(=O)O)CC1 262064419 DKMCMYQBJBYPGZ-UHFFFAOYSA-N 252.270 1.310 0 50 CDAA CC(C)c1cc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)on1 666362084 MBMUNUHAZFKHJX-ZJUUUORDSA-N 280.324 1.915 0 50 CDAA OC[C@@H]1CN(Cc2ccc(Cl)nc2Cl)C[C@H]1O 316461329 HNKLUUITBQMWRU-DTWKUNHWSA-N 277.151 1.173 0 50 CDAA Cc1cccc(NC(=O)C(=O)NCCCn2ccnc2)c1 2961818 WQVNDTCXMFNTEY-UHFFFAOYSA-N 286.335 1.337 0 50 CDAA COc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1OC 2100477936 LGBYJTXWGGQTOC-UHFFFAOYSA-N 290.323 1.326 0 50 CDAA CCc1n[nH]c(=NC(=O)N2CCC[C@@H]3OCC[C@@H]3C2)s1 2325769375 BCWLBKYVROPTNR-ZJUUUORDSA-N 296.396 1.555 0 50 CDAA O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1 121560 VQEIJJHEAFTVHY-UHFFFAOYSA-N 292.722 1.342 0 50 CDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCc1ccccn1 375406 FDGKNNDZRJOOHJ-VXGBXAGGSA-N 262.309 1.589 0 50 CDAA COc1cc(NC(=S)N2CCC(O)CC2)cc(OC)c1 543278 LAPFYCLYKSBXPV-UHFFFAOYSA-N 296.392 1.857 0 50 CDAA CCOc1ccc(S(=O)(=O)O)c2cccnc12 1645025 YAMVZYRZAMBCED-UHFFFAOYSA-N 253.279 1.880 0 50 CDAA in-man CC(C)(C)NS(=O)(=O)c1cccc(C(=O)O)c1 2654101 SDXFCMYPDCRZHF-UHFFFAOYSA-N 257.311 1.462 0 50 CDAA CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1 2857937 LVUDGXAPZZCDIN-UHFFFAOYSA-N 285.365 1.781 0 50 CDAA O=C([C@H]1CCCN(C(=S)NC2CC2)C1)N1CCCC1 2890732 KOHGVBAUUHCCLJ-NSHDSACASA-N 281.425 1.358 0 50 CDAA CCc1ccccc1NC(=O)C(=O)NCCCOC 2966644 XUIUVBWTDBBFSA-UHFFFAOYSA-N 264.325 1.340 0 50 CDAA CC(=O)c1c[nH]c(=O)n(-c2cccc(Cl)c2)c1=O 3130178 YZUYCDYGXIIXQT-UHFFFAOYSA-N 264.668 1.382 0 50 CDAA Cn1c(SCCC(=O)O)nnc1-c1cccnc1 4292091 HALAQBMWVIUCDV-UHFFFAOYSA-N 264.310 1.444 0 50 CDAA COc1ccc(S(=O)(=O)n2cccc2)c(OC)c1 6726332 FXIFYMPSXAPPSF-UHFFFAOYSA-N 267.306 1.742 0 50 CDAA CC[C@@H]1CN2CCC[C@H]2CN1Cc1cn2cccnc2n1 246018084 LDIOZIFBJUHSOX-CABCVRRESA-N 285.395 1.788 0 50 CDAA Cn1cc(CCN2C[C@@H](O)C[C@H]2c2cccc(F)c2)cn1 225652405 GCQOGFFVHPLJQE-HOTGVXAUSA-N 289.354 1.910 0 50 CDAA O=C(NC[C@H]1CCCO1)c1cn(-c2ccccc2)cn1 226754201 UMOBTSNTIDELAR-CYBMUJFWSA-N 271.320 1.781 0 50 CDAA Cc1ccc(S(=O)(=O)N2CN(C)C(C)(C)C2)cc1 20368091 PAPAFDSNHZAZHR-UHFFFAOYSA-N 268.382 1.667 0 50 CDAA COC(=O)C[C@H]1[C@H]2C[C@@H](CC2(C)C)C12OCCO2 104303385 IBZKYTKJRBOAKG-AXFHLTTASA-N 254.326 1.975 0 50 CDAA CN(C)CCCN(C)c1cc(NC2CC2)nc(N)n1 65394115 AWUGTFRHNIEDFH-UHFFFAOYSA-N 264.377 1.021 0 50 CDAA O=C1NC[C@H](COc2ccc(Br)cc2)O1 20253889 HMVOXUWVJWDNJZ-SECBINFHSA-N 272.098 1.936 0 50 CDAA CC(=O)NC1CN(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)C1 248891239 YZPSPCFYIDHBHR-JSFFLRCESA-N 291.395 1.341 0 50 CDAA C[C@H](O)c1cn(CC2CCN(Cc3ccco3)CC2)nn1 23145211 PNYZJHAKGSBTFX-LBPRGKRZSA-N 290.367 1.837 0 50 CDAA COc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(OC)n1 67975320 RFLVPAJRQULUQM-UHFFFAOYSA-N 294.332 1.564 0 50 CDAA CCOC(=O)C1(NC(=O)c2oc(CC)nc2C)CCC1 65434390 FGXUAKVTRDTOHL-UHFFFAOYSA-N 280.324 1.761 0 50 CDAA CC(C)(C)CCC(=O)N1CCO[C@@H](CC(=O)O)C1 124753948 WHGSUGINLMSEOC-JTQLQIEISA-N 257.330 1.515 0 50 CDAA CN1CCN(CCCNC(=O)c2ccccc2Cl)CC1 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CCOc1cc(CN2CCN(CCO)CC2)ccc1OC 22585271 JPNDPNUZZUWPFK-UHFFFAOYSA-N 294.395 1.204 0 50 CDAA Cc1nc(N(C)C)nc(NC[C@@H]2CCS(=O)(=O)C2)c1C 65374551 FRQALKKOBIWGNO-NSHDSACASA-N 298.412 1.006 0 50 CDAA COc1ccc2[nH]c(CCN(C)C(=O)c3cnc[nH]3)nc2c1 219324245 RKGQKGRIHGXMJS-UHFFFAOYSA-N 299.334 1.609 0 50 CDAA O=C(NCCc1nc(-c2ccccn2)no1)c1cnco1 218898681 ADVJPUZVXFCQTL-UHFFFAOYSA-N 285.263 1.092 0 50 CDAA CCOC(=O)C1(C(=O)N2CC(OC(F)F)C2)CCC1 437622359 RYEJWRFJXXOPOS-UHFFFAOYSA-N 277.267 1.170 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1cc[nH]c1 328621593 HWIOEJKVMIFNSL-LLVKDONJSA-N 258.325 1.546 0 50 CDAA CO[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C1 216274871 QOZCLHBMTWIPRL-CYBMUJFWSA-N 270.336 1.759 0 50 CDAA CCn1cc(CN(Cc2cccnc2)C[C@@H]2CCNC2)cn1 328652347 WJRWTYMFMYGHAG-MRXNPFEDSA-N 299.422 1.910 0 50 CDAA CC(C)n1cc(C[C@@H]2N=C(O)N(CC3CCC3)C2=O)nn1 328615167 XZBWPCQTZQMTSI-LBPRGKRZSA-N 291.355 1.326 0 50 CDAA Cc1ccc2cccc(C(=O)N3CCNC[C@@H]3C)c2n1 125399699 AUDMZRDGJXLBJI-LBPRGKRZSA-N 269.348 1.977 0 50 CDAA CC[C@H](C)OCC(=O)N1CCO[C@@H](c2noc(C)n2)C1 330776418 ZPXQWAKJNOEKOG-GXSJLCMTSA-N 283.328 1.093 0 50 CDAA C[C@]12CCN(C(=O)c3nccnc3C(=N)O)C[C@H]1C2(F)F 329195961 VNPPPMDTVDOLGE-KRTXAFLBSA-N 296.277 1.477 0 50 CDAA CCCc1nnc(C(=O)N(C)C[C@@]2(C)CCN(C)C2)o1 71750981 JPAZEXBBVPCAEF-AWEZNQCLSA-N 280.372 1.436 0 50 CDAA COc1cnc(N2CCN(c3cc(C)nc(C)c3)CC2)nc1 77555234 UKPKGJIQCFOKOM-UHFFFAOYSA-N 299.378 1.824 0 50 CDAA C[C@H]1CNCCN1C(=O)/C=C/c1ccc(-n2ccnc2)cc1 125582456 NSQVXHDSSXLMRW-GBXSZLQWSA-N 296.374 1.706 0 50 CDAA CC(=O)N1CC[C@H](NCCn2cccn2)c2ccccc2C1 329444610 NPGZKINHGRZIAQ-KRWDZBQOSA-N 298.390 1.966 0 50 CDAA O=C(c1cccc(-c2nc[nH]n2)c1)N1C[C@@H](F)C[C@H]1CO 331868226 SQSIYAWSEWGUNN-RYUDHWBXSA-N 290.298 1.017 0 50 CDAA CSc1ccccc1CN1CCN(CCC(N)=O)CC1 215224184 LTJDFAIDQAJMKB-UHFFFAOYSA-N 293.436 1.402 0 50 CDAA CC(=O)Nc1cccnc1NC(=O)c1cn2c(n1)CCCC2 332141812 GVWISQBLYIISNC-UHFFFAOYSA-N 299.334 1.825 0 50 CDAA CSc1ccc(CNC(=O)NC[C@@H]2CCCN2)cc1 417255613 PTHPARGPQWKRDJ-LBPRGKRZSA-N 279.409 1.960 0 50 CDAA N[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCN2)C1 333133468 JWHYWBKTYMNYFG-XLWJZTARSA-N 251.418 1.767 0 50 CDAA Cc1cccc2ncn([C@H](C)Cn3cncn3)c(=O)c12 32529634 YXMWJNJVBWFDMO-LLVKDONJSA-N 269.308 1.558 0 50 CDAA CO[C@H]1CCC[C@H]1NC(=O)Cc1sc(S)nc1C 128944905 OZOXKJRXTOQQEF-BDAKNGLRSA-N 286.422 1.966 0 50 CDAA Cc1n[nH]cc1CNCCCCN1C[C@H](C)O[C@H](C)C1 237667427 DFXWBHMSPXICOW-BETUJISGSA-N 280.416 1.697 0 50 CDAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)c1 238019590 HCANLSMPCRTKFZ-UONOGXRCSA-N 289.331 1.812 0 50 CDAA CC(C)Cc1cc(CNC(=O)c2n[nH]c(N)c2Cl)on1 219482932 NWWMGSJBJOLCJQ-UHFFFAOYSA-N 297.746 1.762 0 50 CDAA c1nc2c(c(N[C@@H]3COC4(CCCC4)C3)n1)CCNCC2 72436725 XCBBROOCCRMEIE-LBPRGKRZSA-N 288.395 1.678 0 50 CDAA Cc1[nH]ncc1C(=O)N1CCN(C)[C@H](Cc2ccccc2)C1 284685311 NLCHBABESRUBAY-OAHLLOKOSA-N 298.390 1.717 0 50 CDAA COC[C@H]1CN(c2cc(C)nc3ncnn23)CC(C)(C)O1 285079655 PRGKKBKKPPNFGF-LLVKDONJSA-N 291.355 1.063 0 50 CDAA CCOC(=O)C(Oc1cccc(OC)c1)C(=O)OCC 44125870 BHXCZZVCSWSJJV-UHFFFAOYSA-N 282.292 1.569 0 50 CDAA c1ccc(OCCN2CCN(C[C@H]3CCOC3)CC2)cc1 47707361 CFJPNRMYYHXODX-MRXNPFEDSA-N 290.407 1.720 0 50 CDAA CCOCCC(=O)NCCCc1csc(N)n1 220004460 MVPNBKOHJZTTQP-UHFFFAOYSA-N 257.359 1.201 0 50 CDAA Cn1c(CN)nnc1SCc1nccn1C1CC1 426489500 GHVVUPNBARXTDT-UHFFFAOYSA-N 264.358 1.098 0 50 CDAA CNC(=O)C[C@H](C)N(C)C(=O)NCc1cc(F)ccc1C 426690682 NPZCZFPUSGVXJM-NSHDSACASA-N 295.358 1.800 0 50 CDAA C[C@H](C(=O)N1CCO[C@H](CC(=O)O)C1)c1cccs1 237411789 YTNFGWMKPSSURM-VHSXEESVSA-N 283.349 1.554 0 50 CDAA Cc1nnc(CCNC(=O)CCCN2CCCCC2)s1 95374060 RKWZQMDSBOWNCQ-UHFFFAOYSA-N 296.440 1.771 0 50 CDAA CCOc1ncccc1CNC(=O)[C@@H](CC)n1cccn1 92004261 URQTURUUMGWAJQ-CYBMUJFWSA-N 288.351 1.944 0 50 CDAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1cccc(O)c1 239403075 RLXWXGNOGWNJSS-RECBEJSDSA-N 273.288 1.528 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC(N)CC1 236834253 JCDROSIPYIDBNY-UHFFFAOYSA-N 284.791 1.760 0 50 CDAA CC[C@@H](C)[C@H](CO)NC(=O)c1cc(CC(C)C)nn1C 230211936 SHWQQPOMKPDJIA-YPMHNXCESA-N 281.400 1.755 0 50 CDAA CCCc1nc(C(=O)NCCn2nc(C)nc2C)cs1 91503933 ACSUPPAFPFVHGN-UHFFFAOYSA-N 293.396 1.734 0 50 CDAA Cc1nc(C(=O)N2CC[C@H](OCC(C)C)C2)c[nH]1 268303730 NNZMOBBOLSEOSO-NSHDSACASA-N 251.330 1.605 0 50 CDAA Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 244719230 LZFKGFXHFPNEEJ-FDYHWXHSSA-N 269.300 1.746 0 50 CDAA CCc1nc(CN2CCCC[C@H]2CCOC)n[nH]1 243892982 ANASISQWYJQKGV-NSHDSACASA-N 252.362 1.758 0 50 CDAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 621928906 WLHONLZRBFFUQK-ZETCQYMHSA-N 290.323 1.252 0 50 CDAA C[C@H]1CN(C(=O)NCCc2ccc(Cl)cc2)CC(=O)N1 297818712 NLSAYSLLYYWFLT-JTQLQIEISA-N 295.770 1.412 0 50 CDAA CCc1nnc(CNC(=O)[C@@H]2CC(=O)OC23CCCC3)o1 534669255 RFKIPHKOEJZPKK-VIFPVBQESA-N 293.323 1.124 0 50 CDAA CC[C@H](NC(=O)c1ccc(CN(C)C)o1)c1ncnn1C 534659544 ORCVJHAMACBWCM-NSHDSACASA-N 291.355 1.351 0 50 CDAA COc1cc(C(=O)NCc2cc(C3CC3)on2)ccn1 534580424 CSBAJFSUSVPBEZ-UHFFFAOYSA-N 273.292 1.886 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ncc(F)cc1F 299803009 UDZISCNZBZSTKZ-RYUDHWBXSA-N 299.321 1.197 0 50 CDAA c1nc(CN2CCOCC2)n(-c2ccc3c(c2)CCC3)n1 827603706 NVCSZEKTYHVVBC-UHFFFAOYSA-N 284.363 1.588 0 50 CDAA O=c1c2cccc(F)c2ncn1C1CCS(=O)(=O)CC1 584904236 YACXPLSDKKDHGT-UHFFFAOYSA-N 296.323 1.285 0 50 CDAA CC(C)CN1CCCN(C(=O)Cn2ccc(=O)cc2)CC1 584886693 BQVWVLAJELUOOG-UHFFFAOYSA-N 291.395 1.039 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)N3CCC3)[C@@H]2C1 905376677 ODIXBLLMQQJDGB-TUAOUCFPSA-N 280.368 1.722 0 50 CDAA Cc1cc(C)n([C@@H](C)CNC(=O)N(C)Cc2ncon2)n1 584895489 UWZPWWBHMIYVGV-NSHDSACASA-N 292.343 1.286 0 50 CDAA CN(Cc1cc(=O)c2ccccc2[nH]1)CC1(C)COC1 670455474 UYUPALGRODKICH-UHFFFAOYSA-N 272.348 1.996 0 50 CDAA Cn1cnnc1CCn1cnc2cccc(Cl)c2c1=O 584896203 WGPJPHPFUHGZOV-UHFFFAOYSA-N 289.726 1.421 0 50 CDAA O=C(CCC(F)(F)F)NCCCN1CCCC[C@@H]1CO 670456221 ZRWVZHZYDIXTJG-LLVKDONJSA-N 296.333 1.682 0 50 CDAA CC(C)c1nc(CCNC(=O)C[C@H]2CCOC2)no1 670458535 NFVAHCQKMIHHQM-SNVBAGLBSA-N 267.329 1.278 0 50 CDAA CCCCN1CCN(Cc2nc(C)c(C)n2C)CC1=O 670452733 PCHTXBQOSMMKQG-UHFFFAOYSA-N 278.400 1.481 0 50 CDAA CC(=O)c1ncc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)s1 670459274 NSVGPSOKRGKMJJ-SNVBAGLBSA-N 296.392 1.969 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2ccc(C(C)C)nc2O)n[nH]1 1362644248 JYXFAMKIOVSWIQ-QMMMGPOBSA-N 289.339 1.828 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccc(N2CCCC2)cc1 169980727 TYKHVNFTSWCPKB-UHFFFAOYSA-N 291.200 1.540 0 50 CDAA COc1ccc(F)cc1C(=O)N1CCN[C@@H](C)C1 214857016 LILGELNVMFEYFO-VIFPVBQESA-N 252.289 1.268 0 50 CDAA CC(C)(C)OC(=O)N1CC(C)(C(=O)NC[C@@H]2CCCO2)C1 408521617 WMKQFWUBPBKVIF-NSHDSACASA-N 298.383 1.539 0 50 CDAA CN1CCN(C(=O)N=c2cc(C3(C)CCCC3)o[nH]2)CC1 517068546 ZHPQPCJMCQAQTQ-UHFFFAOYSA-N 292.383 1.708 0 50 CDAA Cc1cnn(CC(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@H]32)c1 630275216 SPIGVLRDJRZFQO-RWMBFGLXSA-N 291.351 1.293 0 50 CDAA CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)O)CO2)C1 91303914 YQIOAEQQZQISNG-MRVPVSSYSA-N 257.286 1.097 0 50 CDAA in-vitro CCc1ncsc1C(=O)N[C@@H]1CCCC[C@H]1O 187058636 UIQFCZZEHUETOF-NXEZZACHSA-N 254.355 1.739 0 50 CDAA COC[C@@H]1CN(C(=O)c2cccc(C)c2O)C[C@@H](C)O1 188213851 LKLHGHFYRAZGDC-NEPJUHHUSA-N 279.336 1.577 0 50 CDAA CC(=O)Nc1ccc(F)c(C(=O)N2CCN[C@H](C)C2)c1 188386658 JLVLTWUMLJKDHL-SECBINFHSA-N 279.315 1.218 0 50 CDAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCN[C@H](C)C1)C2 188431637 DUHHWFRJGUQNCE-YPMHNXCESA-N 290.363 1.067 0 50 CDAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C1(SC)CC1)CC2 190485459 KAKIRUFHYPQDAU-NEPJUHHUSA-N 299.436 1.661 0 50 CDAA C[C@@H](N)[C@H]1CN(c2cnc(-c3ccccc3)cn2)CCO1 643017864 SBTFNDMOCSUKIK-IUODEOHRSA-N 284.363 1.696 0 50 CDAA CC(C)Oc1cncc(C(=O)N2CCC(C(=O)O)CC2)c1 192416209 QSWOKJNCNAKGPM-UHFFFAOYSA-N 292.335 1.806 0 50 CDAA CNc1cc(C(=O)NCCc2cc[nH]n2)cc(Cl)n1 714524375 ZRRMFUMYLBIHOM-UHFFFAOYSA-N 279.731 1.472 0 50 CDAA O=C(NCCc1cc[nH]n1)C1Cc2ccccc2C1 714549327 QCFBXOSWUHTHNT-UHFFFAOYSA-N 255.321 1.483 0 50 CDAA CC1(C)NCC[C@@H]1NC(=O)Cc1ccn(-c2ccccc2)n1 575208781 PXYRQPOGAFDBCU-HNNXBMFYSA-N 298.390 1.672 0 50 CDAA Cc1cccc(NC(=O)N[C@@H](C)c2nnc(O)n2C)n1 583651109 HKMIHCHGRDKCNV-QMMMGPOBSA-N 276.300 1.107 0 50 CDAA O=C(N[C@H]1CCCOc2ccccc21)C1CS(=O)(=O)C1 585089461 OMUXPNHJXYHRAC-LBPRGKRZSA-N 295.360 1.061 0 50 CDAA CCOC1(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CCCC1 585081777 ACUBTXROMIXWBY-LLVKDONJSA-N 280.368 1.215 0 50 CDAA O=C(NCC(=O)N1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1 585082304 ZVGCLUDXQRMFJR-YPMHNXCESA-N 276.311 1.566 0 50 CDAA C=CC(=O)NCCC(=O)N[C@@H](C)c1c(C)noc1C 772792449 FGUISEAWIXPNIH-QMMMGPOBSA-N 265.313 1.161 0 50 CDAA CCCc1nc(C(=O)N2CCN(C)[C@]3(CCOC3)C2)co1 1615588687 CTRAGZQFHZONPM-OAHLLOKOSA-N 293.367 1.174 0 50 CDAA COc1cccc(CCCN2CCN[C@@H](CCO)C2)c1 1616040817 FRJMRMDIOALBTK-HNNXBMFYSA-N 278.396 1.284 0 50 CDAA CCc1c(C)noc1NC(=O)[C@H](C)N1CCN(C)CC1 1506396598 CQYMWXLGZSSZRB-NSHDSACASA-N 280.372 1.120 0 50 CDAA Cc1cccc(OC2CN(C(=O)c3nccn3C)C2)c1 1505646905 WRAQKVBDVWEPAE-UHFFFAOYSA-N 271.320 1.632 0 50 CDAA CC(C)[C@H]1CN(C(=O)CCN)C[C@@H](c2ccccc2)O1 1529112928 VRLPEFPPBLCPSB-CABCVRRESA-N 276.380 1.960 0 50 CDAA COc1ccc(F)c(CN(CCO)Cc2cncn2C)c1 1704312475 CPTRMLNKYPYSKT-UHFFFAOYSA-N 293.342 1.562 0 50 CDAA COc1cc2c(cc1CN1C[C@H]3C[C@H](O)C[C@H]3C1)OCO2 1800414355 OUWGJBYACSRJCR-PJXYFTJBSA-N 291.347 1.627 0 50 CDAA COCc1nc(OC)cc(N2C[C@H](C)[C@](C)(CO)C2)n1 664594904 DKUKLCINBIFORV-HZMBPMFUSA-N 281.356 1.086 0 50 CDAA CCOc1cc(N2CCN(CC(F)F)CC2)ncn1 136034203 LFCJHVSTNMDAHO-UHFFFAOYSA-N 272.299 1.262 0 50 CDAA Nc1nc(O)c2ccc(-c3ccccc3O)nc2n1 1848443533 ZBVLOQWCYIKRDL-UHFFFAOYSA-N 254.249 1.685 0 50 CDAA CCOc1ccc(C(=O)Nc2nc[nH]n2)cc1OCC 18221745 OGSTYJMFJATMCE-UHFFFAOYSA-N 276.296 1.854 0 50 CDAA COc1ccc(CN(CCO)Cc2cnc(C)[nH]2)cc1F 1772705256 QOSYZTGCCKWQBK-UHFFFAOYSA-N 293.342 1.860 0 50 CDAA C[C@H]1CO[C@H](C)CN1CC(=O)N1[C@H](C)CCC[C@H]1C 247946366 IGEPMHBDBSMXOY-YIYPIFLZSA-N 268.401 1.885 0 50 CDAA COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1 5022655 SILFVNHARCTMLN-UHFFFAOYSA-N 291.303 1.888 0 50 CDAA C[C@H]1CC(=O)c2cn3nc(-c4cccnc4)nc3nc2C1 5485637 VEIVDJUAKPYEBF-SECBINFHSA-N 279.303 1.951 0 50 CDAA O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccn[nH]1 5819381 IHNUDDWKNLWZCH-JGVFFNPUSA-N 269.688 1.582 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1cc(C)c(C)cc1OC 11566193 XCEJDTQKPUQGJA-NSHDSACASA-N 287.381 1.361 0 50 CDAA CCc1c(C)sc(NC(=O)CN(C)C)c1C(=O)OC 13322967 BIKCLNPOHCWMFD-UHFFFAOYSA-N 284.381 1.906 0 50 CDAA CCN(Cc1cnn(C(C)C)c1)C(=O)c1ccnnc1 19838279 SUHJNWLKHKYSAV-UHFFFAOYSA-N 273.340 1.916 0 50 CDAA COC(=O)c1cc(O)c2n[nH]c(Br)c2c1 206022920 GXVMPNHKDJZVFC-UHFFFAOYSA-N 271.070 1.818 0 50 CDAA CC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 206614781 DBGJEOKMLJIDLP-ZKKRXERASA-N 258.314 1.793 0 50 CDAA Cc1cc(Cl)nc(Cn2cnc3c(N)ncnc32)n1 163665533 XLKVTYBBRQZTCK-UHFFFAOYSA-N 275.703 1.209 0 50 CDAA Cn1ccnc1-c1nccn1[C@H]1COC2(CCNCC2)C1 1857668209 HDYIUFRZAFOYKU-GFCCVEGCSA-N 287.367 1.367 0 50 CDAA CCN1CC[C@H](n2ccnc2-c2cnn3cccnc23)C1 1857725406 VFHMXVWWZRMQMO-LBPRGKRZSA-N 282.351 1.860 0 50 CDAA CC[C@H](C)OCC(=O)N1CCN(Cc2cc(C)no2)CC1 153104802 MCCWHJFMOMTOMU-ZDUSSCGKSA-N 295.383 1.442 0 50 CDAA COc1cccc(NC(=O)c2cn3c(n2)CCNCC3)c1 1875245642 JWNOFGAOZRVNHB-UHFFFAOYSA-N 286.335 1.290 0 50 CDAA O=C(O)c1cccc(N2CCCCS2(=O)=O)c1 874593 BDUXZYWBMNHIMV-UHFFFAOYSA-N 255.295 1.315 0 50 CDAA in-vitro Cc1ccc2nc3c(cc(C(=O)NC(C)C)n3C)c(=O)n2c1 2347538 MGWGJCSYDDJBII-UHFFFAOYSA-N 298.346 1.633 0 50 CDAA C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(CC(N)=O)CC1 112871030 ZWYFWNXVWZITPY-TZMCWYRMSA-N 296.411 1.696 0 50 CDAA COc1cnc(C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@H]32)nc1 634484533 DHHQZUAADQKMPW-UPJWGTAASA-N 291.351 1.251 0 50 CDAA CC(C)n1nccc1C(=O)NC1(CO)Cc2ccccc2C1 331758984 ILJYXVFGLLMHTK-UHFFFAOYSA-N 299.374 1.724 0 50 CDAA COc1cnc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)nc1 645809424 CRMGDHPAAQMAPZ-XHDPSFHLSA-N 291.351 1.252 0 50 CDAA Cc1ccc(CC(=O)N2CC[C@](C)(C(=O)O)C2)s1 237669024 PYISEJDMNUOOFS-ZDUSSCGKSA-N 267.350 1.922 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)c3ccc4c(c3)CCNCC4)C[C@@H]12 353745545 XWYHTXYRNMGFMC-GVDBMIGSSA-N 299.418 1.184 0 50 CDAA COC(=O)[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1 26894676 XRFKZAWVKVORNI-LBPRGKRZSA-N 277.276 1.140 0 50 CDAA in-vitro C[C@@H]1OC[C@@H](NCc2nncn2-c2ccccc2)[C@@H]1C 585117587 MBONKBOJZTUFAQ-MBNYWOFBSA-N 272.352 1.780 0 50 CDAA Fc1cnc(NCc2cc(O[C@H]3CCNC3)ccn2)nc1 818627201 PZENSGNSYCTSNQ-ZDUSSCGKSA-N 289.314 1.364 0 50 CDAA CCn1nc(C)c(C(=O)N2CCN(C)[C@@H](C(C)C)C2)n1 827491961 ZMFLGSJXOJUMGI-GFCCVEGCSA-N 279.388 1.019 0 50 CDAA Cc1noc(Cn2nc(C)c([C@H]3COCCN3C)c2C)n1 852962791 QMINTIJTAHFLRQ-GFCCVEGCSA-N 291.355 1.243 0 50 CDAA Cc1ccc([C@H]2CCCN2C(=O)[C@@H](O)c2cnc[nH]2)o1 865915164 ADJGVGBPADZPTI-YPMHNXCESA-N 275.308 1.708 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cnsn1 952887513 QPRXHZMZEHTQGF-LLVKDONJSA-N 279.369 1.452 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1nn(C)c2ccccc12 952879712 KVOASDXNJQKXKF-UHFFFAOYSA-N 293.348 1.460 0 50 CDAA CCOC(=O)c1cnc(NCc2cccc(N)n2)s1 952995730 XCPFUHPJERJZNN-UHFFFAOYSA-N 278.337 1.909 0 50 CDAA Cc1nonc1CNC(=O)N1CC[C@@H](N2CCCC2)[C@H]1C 876438300 YBGREDGIDSFNDI-DGCLKSJQSA-N 293.371 1.146 0 50 CDAA O=C([C@@H]1C[C@H]1c1ccccn1)N1CCCc2nn[nH]c21 1875278347 RDXNDSHEAGVZQT-NXEZZACHSA-N 269.308 1.283 0 50 CDAA COC(=O)/C=C/CNC(=O)c1nc(C(C)C)ncc1Cl 1875273266 KPUZUHKXLCQGLY-SNAWJCMRSA-N 297.742 1.712 0 50 CDAA CN=c1[nH]c(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)ncc1Cl 1875295421 XOZSFBMURBMOGZ-IEBDPFPHSA-N 282.775 1.963 0 50 CDAA CCc1cc(=NC(=O)Cc2ccn(C(F)F)n2)[nH][nH]1 1875309192 XEGFLUPNTDKTFM-UHFFFAOYSA-N 269.255 1.167 0 50 CDAA CN(CCCCCN)C(=O)c1ccc2c(c1)C(=O)NC2 1875323747 RYJRBJREMQYJSH-UHFFFAOYSA-N 275.352 1.131 0 50 CDAA CC1(NC(=O)c2n[nH]c3c2CNCC3)CCC(F)(F)CC1 877005418 FPFVQOJYPNVEDO-UHFFFAOYSA-N 298.337 1.753 0 50 CDAA C[C@H](C(=O)N1CCC(Cc2nn[nH]n2)CC1)c1ccccc1 1773698118 GBXFGDJUKNZRPY-LBPRGKRZSA-N 299.378 1.785 0 50 CDAA CCOC(=O)c1n[nH]cc1CSc1n[nH]c(C)n1 1775990854 HSZDBDHJWWXMSC-UHFFFAOYSA-N 267.314 1.305 0 50 CDAA C=CC(=O)N1CCC2(CC1)Cc1ccccc1NC2=O 1776005610 LRJHSEHROGFTSB-UHFFFAOYSA-N 270.332 1.976 0 50 CDAA O=C(O)CCN1CCO[C@H](c2ccc(F)c(F)c2)C1 238163756 GSPNVLSXCSHVPF-LBPRGKRZSA-N 271.263 1.813 0 50 CDAA c1cc(CN2CC[C@]3(CCNC3)C2)c2c(c1)OCCO2 261943030 DZSWMFWNFBXRIO-INIZCTEOSA-N 274.364 1.643 0 50 CDAA O=C(c1cccnc1)N1CCN(Cc2ccco2)CC1 55250702 XBEYKICZHGBEIU-UHFFFAOYSA-N 271.320 1.633 0 50 CDAA CCOC(=O)N1CCC(N[C@H]2CCOC[C@@H]2OC)CC1 312571642 SACNFCKFZOEEJP-STQMWFEESA-N 286.372 1.001 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)C[C@@H]1CCOC1 426401986 RCECLDPEUMLTSZ-LBPRGKRZSA-N 265.357 1.502 0 50 CDAA COc1c(C)cnc(CN2C(=O)OC(C)(C)C2=O)c1C 95528874 GDEXTCZOXBWBQE-UHFFFAOYSA-N 278.308 1.964 0 50 CDAA Cc1nccn1CCCN(C)CC1(CO)CCC1 670436111 SFCAOJRPCKGLPD-UHFFFAOYSA-N 251.374 1.676 0 50 CDAA CC(C)(O)[C@H]1CCN(C(=O)c2cncc(O)c2)C1 584886794 HKOHVQCTHFYPCS-JTQLQIEISA-N 250.298 1.020 0 50 CDAA O=C(O)C1CC(NS(=O)(=O)c2ccc(Cl)cc2)C1 693348354 PQBCYKSXLLNNMW-UHFFFAOYSA-N 289.740 1.482 0 50 CDAA Cc1n[nH]cc1CCCNC(=O)[C@H]1CCCN[C@@H]1C 384239297 IODIJLYYWVUYRL-YPMHNXCESA-N 264.373 1.155 0 50 CDAA Cc1cc2ccccc2[nH]c1=NCC(C)(CO)CO 393856866 ZLWUAKINTMCKIG-UHFFFAOYSA-N 260.337 1.368 0 50 CDAA CN(Cc1nc2cc(C(=O)O)ccc2n1C)c1cnn(C)c1 2325803373 CIUPBYITDCJKIV-UHFFFAOYSA-N 299.334 1.641 0 50 CDAA C[C@@H](CN)NC(=O)c1ccc(-c2cccc(CN)c2)cc1 2325869062 XTJPWECLWGGJKD-LBPRGKRZSA-N 283.375 1.889 0 50 CDAA CN1CCC[C@@H]1Cn1c(S(C)(=O)=O)nc2ccccc21 916416676 GEHRIWMUADFKBU-LLVKDONJSA-N 293.392 1.534 0 50 CDAA O=C(O)c1ccc(N2C(=O)C[C@H](N3CCCC3)C2=O)cc1 50867 PPRWDRNVKOKKQB-LBPRGKRZSA-N 288.303 1.113 0 50 CDAA COC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 64858 XPJSXJQOVWDMHR-UHFFFAOYSA-N 251.238 1.277 0 50 CDAA COC1([C@H](C)NC(=O)c2cccn2C)CCOCC1 421729571 PSGASBSIHJAXEK-NSHDSACASA-N 266.341 1.339 0 50 CDAA COc1ccc(CCNC(=O)c2cnccn2)cc1 433131 MCTGNSSEHXNEBQ-UHFFFAOYSA-N 257.293 1.458 0 50 CDAA Cn1nnc2cc(C(=O)N(CCO)c3ccccc3)ccc21 479794 SAYZCCMTJVRUPW-UHFFFAOYSA-N 296.330 1.607 0 50 CDAA COC(=O)CNC(=O)c1cc2cc(Cl)ccc2oc1=O 1054390 NGLTUVOYYBFBIK-UHFFFAOYSA-N 295.678 1.349 0 50 CDAA COC[C@@]12COC[C@@H]1CN(c1nc(C)ncc1Cl)C2 2356135474 GRBHILBVLZKXJA-GWCFXTLKSA-N 283.759 1.538 0 50 CDAA CCCN1CCC[C@]2(CCCN2CCn2cnnc2)C1=O 2356149999 HLVMRMTWLGUWGZ-HNNXBMFYSA-N 291.399 1.145 0 50 CDAA NCCc1nnc2n1C[C@@H](c1ccc(Cl)cc1)C2 2356165446 IWDLFDBJGJJVBW-JTQLQIEISA-N 262.744 1.773 0 50 CDAA Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H]1CCCO1 2943447 BSMHVYYUHBOQSU-JTQLQIEISA-N 296.754 1.882 0 50 CDAA C[C@@H](CO)N(C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 342088266 YRUQNBDITQBXJO-GXFFZTMASA-N 291.313 1.921 0 50 CDAA O=C(C1CCN(Cc2ccccn2)CC1)N1CCOCC1 4549445 OTFFRFHLYYEPQJ-UHFFFAOYSA-N 289.379 1.152 0 50 CDAA C[C@H]1c2nc(Cl)nc(Cl)c2CS1(=O)=O 223467912 QSLVSKKWSJSWMO-VKHMYHEASA-N 253.110 1.773 0 50 CDAA CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCNCC1 6661542 HFNFODVRYCEIQL-UHFFFAOYSA-N 290.363 1.725 0 50 CDAA in-vitro O=C(O)[C@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 8016204 YKUSZXDKVWEBRO-VIFPVBQESA-N 253.685 1.773 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1C[C@H](C)N[C@@H](C)C1 247301649 PCHVVQCTHYHRHQ-GUBZILKMSA-N 265.357 1.604 0 50 CDAA Cc1nc(N(C)C)nc(N(C)C[C@@H]2COCCO2)c1C 65397734 LWBCBHDVVICRCV-GFCCVEGCSA-N 280.372 1.011 0 50 CDAA CONC(=O)C(=O)Nc1ccc(Br)c(F)c1 134759124 BQKXASQOIAFTRU-UHFFFAOYSA-N 291.076 1.204 0 50 CDAA COc1ccc(-c2cc(=O)n3nc(C)nc3[nH]2)cc1 101298740 HECRMPAEMVMUBK-UHFFFAOYSA-N 256.265 1.402 0 50 CDAA Cc1cnc2c(C(=O)N3CCC[C@]4(CCNC4)C3)cnn2c1 67805563 BZJWIKVBOBUPAU-MRXNPFEDSA-N 299.378 1.253 0 50 CDAA CN(C)CC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 135223804 KNNLPVVTVPNUSA-MFKMUULPSA-N 284.306 1.161 0 50 CDAA CN1CC[C@@H](NC(=O)C(F)F)[C@H]1c1ccccc1 248823173 YTLVKVDVNPNSIH-GHMZBOCLSA-N 254.280 1.813 0 50 CDAA CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1Cn1cccn1 249693950 OHQGVEMGBMLXNX-GJZGRUSLSA-N 290.411 1.749 0 50 CDAA Cc1ccccc1OC[C@@H](O)CN1CCO[C@@H](C)C1 229275544 YMDAJWAIKWNLAZ-KBPBESRZSA-N 265.353 1.455 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 229440595 GYPAPHTYEJAGEW-MGPQQGTHSA-N 292.383 1.483 0 50 CDAA O=C(CCC(=O)c1ccc(F)cc1)N[C@@H]1CCOC1 179030911 NQHRZMPSMHCPDM-GFCCVEGCSA-N 265.284 1.694 0 50 CDAA COC(=O)c1ccc(CNC(=O)c2nc(C)oc2C)nc1 424055795 FLSQCCJUASNTEY-UHFFFAOYSA-N 289.291 1.403 0 50 CDAA C[C@@H](CNC(=O)C(=O)c1cccn1C)Oc1cccnc1 216106425 UBQPQTXNTNACKE-NSHDSACASA-N 287.319 1.187 0 50 CDAA O=C(CCn1cnnn1)N1CC[C@@H](c2ccccc2F)C1 77486687 MFUMYAYFCZAQNT-LLVKDONJSA-N 289.314 1.218 0 50 CDAA COCCC1(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)CC1 328628748 OASQAKCTVHGKEL-GFCCVEGCSA-N 292.383 1.042 0 50 CDAA CC(C)(C(=O)N1CCC(F)(F)C1)S(=O)(=O)C1CC1 328823029 QXZDAWMPQKGBQA-UHFFFAOYSA-N 281.324 1.210 0 50 CDAA O=S(=O)(CC1CC1)N[C@H](c1cccnc1)C1CC1 328819523 PMDBDRUXMKFQRG-ZDUSSCGKSA-N 266.366 1.862 0 50 CDAA CN(CC1(O)CCCC1)C(=O)Nc1ccc(F)cn1 123299107 LLKWCWSPHDQICE-UHFFFAOYSA-N 267.304 1.990 0 50 CDAA CSC[C@@](C)(O)CNC(=O)c1ccc(F)cc1O 123936050 PCMQTYBUFXWBKH-LBPRGKRZSA-N 273.329 1.375 0 50 CDAA Cc1ccc2cc(C(=O)NC[C@H](C)c3nnn[nH]3)[nH]c2c1 153390203 DSWZLBBCZRRJMI-VIFPVBQESA-N 284.323 1.523 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(Cc2ncnn2CC(C)C)C1 332741378 ZLJSLHJVXUFBHL-QWRGUYRKSA-N 281.360 1.059 0 50 CDAA C[C@@H]1CSc2ccccc2CN1C(=O)c1cnnn1C 367201276 RZGISVZYOYLATO-SNVBAGLBSA-N 288.376 1.952 0 50 CDAA CCCc1noc([C@H](C)N[C@H]2CCN(C(C)=O)C[C@H]2C)n1 241969533 UXDFIYUWEUWTPH-MDZLAQPJSA-N 294.399 1.930 0 50 CDAA C[C@H]1CCNCC[C@@H]1NCC1(S(C)(=O)=O)CCCC1 333256979 IEIKURIWVGJVAX-STQMWFEESA-N 288.457 1.322 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2c[nH]c3ncccc23)C1 261893723 UGHOMSQLEGDMPY-QMMMGPOBSA-N 259.265 1.110 0 50 CDAA CO[C@H]1CCN(Cc2ccccc2OCC(=O)O)C1 215118971 DQBATTMMVYEEJI-LBPRGKRZSA-N 265.309 1.371 0 50 CDAA C[C@@H](Cc1ccccn1)NC(=O)c1ccncc1O 215477465 IUBDCVQESMFQKZ-JTQLQIEISA-N 257.293 1.543 0 50 CDAA O=C(c1cc(F)cc2cccnc12)N1CCNCC1 237813618 RXTSMVJZDLQCAB-UHFFFAOYSA-N 259.284 1.419 0 50 CDAA Cc1cc2nc(C(C)C)cc(NCc3n[nH]c(N)n3)n2n1 72432882 LCPFMLAFXPSBFH-UHFFFAOYSA-N 286.343 1.474 0 50 CDAA N[C@H]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 72129419 YLNPGSDUXFBZIK-INIZCTEOSA-N 298.390 1.885 0 50 CDAA CCOC(=O)C[C@H]1CCCCN1Cc1nc(COC)no1 72131742 MJLPDQDSZBZOOL-LLVKDONJSA-N 297.355 1.524 0 50 CDAA CCn1cnnc1NC(=O)Cc1ccc2c(c1)CCC2 285684983 GNGSNYIKJAUTKR-UHFFFAOYSA-N 270.336 1.968 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2ccncc2F)C1(C)C 240540932 GQJBJNLQWLSCAH-IUODEOHRSA-N 296.342 1.517 0 50 CDAA Cn1cnc(C(=O)N[C@H]2COC3(CCCCC3)C2)c1 426574759 OLXKWCFXWDCQCN-LLVKDONJSA-N 263.341 1.642 0 50 CDAA COC(=O)[C@@H](C)N1CCC(OC[C@@H]2CCCCO2)CC1 177594771 KBZZVAKWIVUAPK-OCCSQVGLSA-N 285.384 1.598 0 50 CDAA Ic1ccc2c(n1)NCCO2 85221138 LTYFURNXEWAAMT-UHFFFAOYSA-N 262.050 1.491 0 50 CDAA Cc1ccc(C)c(OCC(=O)N2CC[C@@H](CN)C2)c1 178565735 CVWAQRLRGJPJND-ZDUSSCGKSA-N 262.353 1.489 0 50 CDAA COc1ccnc(CN(C)C(=O)C[C@@H]2CCOC2)c1 426504434 FPDSYFIWVSHBJG-NSHDSACASA-N 264.325 1.475 0 50 CDAA COc1ccnc(-c2cccc(C(=O)N3CC[C@@H](N)C3)c2)n1 426504631 RBAIZODOLZXLKF-CYBMUJFWSA-N 298.346 1.325 0 50 CDAA CO[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3CN2)CC[C@@H]1C 230242250 PCBLDZHLBYGNHO-VBNZEHGJSA-N 288.391 1.584 0 50 CDAA CCc1ncc(C(=O)N[C@@H](C)c2ccncn2)cn1 95357336 IVEXETGVKWZCOH-VIFPVBQESA-N 257.297 1.320 0 50 CDAA CCOC1CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)C1 294294914 CRZZPNKNZSXNGV-UHFFFAOYSA-N 288.347 1.440 0 50 CDAA O=C(c1cn[nH]n1)N1CCC[C@H](OCc2ccccc2)C1 97370517 MICFDSLGILASTC-ZDUSSCGKSA-N 286.335 1.626 0 50 CDAA CO[C@H](CNC(=O)c1cnc2n[nH]c(C)c2c1)C1CC1 294598577 OVOINRIBSHYFQU-GFCCVEGCSA-N 274.324 1.421 0 50 CDAA COCc1ccc(C(=O)N2CCC[C@@H]2COC)o1 96165514 JEJMSKJCFOGOTL-SNVBAGLBSA-N 253.298 1.677 0 50 CDAA c1cc(-c2nc([C@H]3CCOC3)no2)cc(-n2cnnc2)n1 96139317 BTLJZTXRLGZBCE-JTQLQIEISA-N 284.279 1.216 0 50 CDAA CNc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(C)C)C2)ccn1 91475034 UYSSDAGNKKCAQQ-NWDGAFQWSA-N 291.351 1.552 0 50 CDAA CCc1nc(N)nc(N2CCN(CCCOC)CC2)c1C 95376388 KJXMCUIMLQFUHC-UHFFFAOYSA-N 293.415 1.088 0 50 CDAA Cc1n[nH]c([C@@H]2CCCN(CCC(=O)NC(C)(C)C)C2)n1 244724117 MNWZZBBSNCABNV-GFCCVEGCSA-N 293.415 1.597 0 50 CDAA CCN1C[C@H](C(=O)N2CCS[C@@H](C)[C@H]2C)CC1=O 245339059 QFOQFZMFNSQVGA-OUAUKWLOSA-N 270.398 1.207 0 50 CDAA Cc1nnc(CN(Cc2nccs2)C2CC2)o1 244734555 NHXBOUWCYDIGAA-UHFFFAOYSA-N 250.327 1.999 0 50 CDAA O=C(Cn1ccnc1)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 243893378 AQRQTLOTPGDQMQ-JYJNAYRXSA-N 299.374 1.382 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)O)O1 251822033 MXVXGKNZDWNJEC-HONMWMINSA-N 289.331 1.765 0 50 CDAA COC(=O)[C@]1(CN)C[C@]12CCN(C(=O)OC(C)(C)C)C2 260106103 GXIZSJFUUBKNJU-UONOGXRCSA-N 284.356 1.135 0 50 CDAA COCCc1noc([C@@H](C)NC(=O)c2cccc(O)c2)n1 299778223 FXRBAQANKDQLMY-SECBINFHSA-N 291.307 1.455 0 50 CDAA Cc1nc(NCc2cccnc2N)cc([C@H]2CCOC2)n1 299785293 XCASYBCQFMUIFX-LBPRGKRZSA-N 285.351 1.878 0 50 CDAA COC(=O)[C@@H]1CCN1c1cnc(Cl)cc1C=O 725345208 IVYQMWGEKRVHIQ-QMMMGPOBSA-N 254.673 1.299 0 50 CDAA Cc1nc(CCCN2CCCCC2=O)n(-c2cccnc2)n1 828263846 ZPGWYMYOFLRCDU-UHFFFAOYSA-N 299.378 1.916 0 50 CDAA Cc1nnnn1CCC(=O)NCc1cc2ccccc2o1 584892253 RWIXEMDMKHUUIN-UHFFFAOYSA-N 285.307 1.434 0 50 CDAA CC(C)c1cccc(N2CCN(CC(=O)N(C)C)CC2)n1 827868389 NYBOJDOJPKWIFI-UHFFFAOYSA-N 290.411 1.415 0 50 CDAA CC(C)O[C@H]1CN(C(=O)c2ncoc2C(C)C)C[C@@H]1O 584887586 FWAFNMKTNITNGR-QWRGUYRKSA-N 282.340 1.408 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)c2cnn3ccn(C)c23)cn1 584900505 UMXVEIOSGIJTCO-LLVKDONJSA-N 283.335 1.867 0 50 CDAA CC(C)(C)[C@H](CN1CCCC1)NC(=O)c1cncnc1 584893861 NOKUIRRVGMYESS-ZDUSSCGKSA-N 276.384 1.717 0 50 CDAA CN(CCC(C)(C)O)C(=O)Cc1ccc(CO)cc1 584884685 KTJICKLFXLXSGH-UHFFFAOYSA-N 265.353 1.341 0 50 CDAA Cc1nc(-c2ccc(N3CCOCC3)c(C)c2)n[nH]1 670473492 LOLGHZCPNYPUKD-UHFFFAOYSA-N 258.325 1.925 0 50 CDAA CCc1nccn1CCC(=O)NC[C@]1(C)CCN(C)C1 670443008 JGGAAAIOURIQGK-HNNXBMFYSA-N 278.400 1.294 0 50 CDAA CNC(=O)C[C@@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 1533212034 SXKRBGSABRSEKW-BZYZDCJZSA-N 297.358 1.889 0 50 CDAA CN[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 133216244 ANNBWOIHILZCRP-ZDUSSCGKSA-N 280.343 1.805 0 50 CDAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)c1ccsc1 1565509019 TWVVCHJBDAMBJZ-STQMWFEESA-N 298.408 1.214 0 50 CDAA COCc1nsc(N2CCC[C@H]2Cn2ccnc2C)n1 278663381 FJFNDSCIFRBLCO-NSHDSACASA-N 293.396 1.858 0 50 CDAA CCc1cc(NC(=O)NCC2(O)CCC2)n(C)n1 304338749 WOBCJYIBPLDHCW-UHFFFAOYSA-N 252.318 1.019 0 50 CDAA CC[C@@H]1[C@@H](C)CCN1CC(=O)N1CCO[C@H](C)C1 170599716 YLGTWCIERSEJTK-YNEHKIRRSA-N 254.374 1.354 0 50 CDAA Nc1c(Cl)ncn2c(OCC[C@H]3CCCO3)nnc12 408525153 NMRZCVCSWQYUHF-SSDOTTSWSA-N 283.719 1.308 0 50 CDAA CC(C)[C@H](CO)[C@H](NC(=O)[C@@H]1CCCOC1)C(C)C 408519869 ZBZTUTKCUVWRPO-HZSPNIEDSA-N 271.401 1.818 0 50 CDAA O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1c(O)cccc1F 170599284 JFWFRDXQHCVFGT-QSDJMHMYSA-N 279.311 1.668 0 50 CDAA C[C@H](CC1CC1)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 167412252 GAJDBEVVRVZNQD-BFYSQQLMSA-N 288.391 1.572 0 50 CDAA CN(Cc1ccccn1)C(=O)c1c[nH]nc1[C@H]1CCOC1 275224655 AVFYBNGVQZZTMD-NSHDSACASA-N 286.335 1.581 0 50 CDAA O=C(NCCn1cccc1)c1c[nH]nc1[C@H]1CCOC1 276003299 PFQLVLDEVMAQHN-NSHDSACASA-N 274.324 1.145 0 50 CDAA O=C(c1cn[nH]c1)N1CCCCC[C@H]1c1ncon1 276207126 KDKYXRHKYDKUAT-JTQLQIEISA-N 261.285 1.550 0 50 CDAA Cn1nnc2cc(C(=O)N[C@@H]3CCC[C@H]3CCO)ccc21 170085807 XFHMRSDDPSPUHQ-CMPLNLGQSA-N 288.351 1.249 0 50 CDAA CC(C)c1nnc(CN[C@@H](C)[C@@H]2CCCO2)n1C 170077371 ZDGUHGQCRZSDEN-QWRGUYRKSA-N 252.362 1.596 0 50 CDAA CCOC(=O)c1cnn2c(Br)ccnc12 95627675 QFYBFJJRKDMIDV-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA in-vitro Cn1cc(S(=O)(=O)Oc2cnc3ccccc3c2)cn1 188164241 WZVHOQCFGHSOJO-UHFFFAOYSA-N 289.316 1.736 0 50 CDAA COc1cccc(CCC(=O)N2CCN[C@H](C)C2)c1 188479273 AXPBKBNRVSPZOH-GFCCVEGCSA-N 262.353 1.448 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cnn(C)c2)C1 643773085 CUPWTRSQLREISZ-NEPJUHHUSA-N 261.329 1.105 0 50 CDAA O=C(CCCc1ccccn1)N=c1ccn([C@@H]2CCNC2)[nH]1 646979900 XPPOAGZXYQJRLX-CQSZACIVSA-N 299.378 1.196 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)COc1ccc(F)cc1 67983222 WZZCJZOBEBQVPT-UHFFFAOYSA-N 263.272 1.586 0 50 CDAA Cn1nncc1CC(=O)N1CCC[C@@H]1CCc1ccccc1 666746999 CCVABZCICKKJQE-OAHLLOKOSA-N 298.390 1.981 0 50 CDAA O=C(CCc1cccnc1)N1CC(C2CCOCC2)C1 669736151 ZUQHBHVQSGKPPG-UHFFFAOYSA-N 274.364 1.899 0 50 CDAA CS(=O)(=O)[C@H]1CCCN(c2ccc(F)cn2)CC1 672276784 RCGAFQKATKJSDU-NSHDSACASA-N 272.345 1.624 0 50 CDAA Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1C[C@H]1C1CCC1 583650890 BAKLXFOBZSFJCK-NWDGAFQWSA-N 283.397 1.504 0 50 CDAA CCc1nsc(N2CC[C@@H](n3ccnn3)C2)n1 585092290 NUSBTTMCBPQKEL-MRVPVSSYSA-N 250.331 1.143 0 50 CDAA C=CC(=O)NCCNC(=O)[C@@H]1CCCN1c1ccccc1 787340603 IPQHULBNGQBHGA-AWEZNQCLSA-N 287.363 1.074 0 50 CDAA C=CC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 791366608 KMKPMTDPEZYBLC-UHFFFAOYSA-N 278.739 1.697 0 50 CDAA CS(=O)(=O)N1CCC[C@@H]1CCc1ccccn1 1615613215 GPSBSTGLOCTGBN-GFCCVEGCSA-N 254.355 1.438 0 50 CDAA C[C@H](O)[C@H](O)CN[C@@H]1CCCN(c2cccc(F)c2)C1 1616030522 BWEVQEVXTFQLKB-NJZAAPMLSA-N 282.359 1.126 0 50 CDAA COc1ccnc(NC2CC(Cn3cccn3)C2)n1 1875279573 YQFDSQHTNYGNQE-UHFFFAOYSA-N 259.313 1.572 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)c2cccc(N)n2)cn1 221372450 YGIQCHRBBAPERK-SNVBAGLBSA-N 256.309 1.858 0 50 CDAA CCn1ccc(CN(C[C@H]2CCC(=O)N2)C(C)C)n1 1506425710 QVYSBCGLCDKRCY-GFCCVEGCSA-N 264.373 1.392 0 50 CDAA CCC[C@]1(CO)CN(CCc2ccc(O)cc2)CC[C@H]1O 1529190988 QVLYVCYHTRKPAA-IAGOWNOFSA-N 293.407 1.780 0 50 CDAA COc1ccccc1S(=O)(=O)N1CC(F)(F)C1 1259294381 DIHFETOPMKNSAW-UHFFFAOYSA-N 263.265 1.335 0 50 CDAA CCNC(=O)c1ccc(NCc2nc(C)cc(C)n2)nc1 1704338590 VWLXCFCZHDPDRA-UHFFFAOYSA-N 285.351 1.850 0 50 CDAA N[C@H]1CC[C@H](NC(=O)c2cccc3c2NCCC3)C1 213253195 BNYRXPWPTFLQKZ-RYUDHWBXSA-N 259.353 1.654 0 50 CDAA N[C@@H](Cc1ccccc1I)C(=O)O 2385606 BKXVGLPBXYBDDM-QMMMGPOBSA-N 291.088 1.246 0 50 CDAA in-vitro O=C(NC[C@@H]1CCC[C@H]1O)[C@@H](C1CC1)N1CCCC1 332902782 PPJRFYKHSCYSMD-BFHYXJOUSA-N 266.385 1.138 0 50 CDAA Nc1ccc(-c2ccc3nc(O)[nH]c3n2)c(CO)c1 1875345413 ZPTTXBJQPNTOEM-UHFFFAOYSA-N 256.265 1.405 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C2 34084614 HNMWIKVFYHYBKX-UHFFFAOYSA-N 254.330 1.524 0 50 CDAA in-vitro Cc1ccc(N([C@H](C)C(=O)O)S(C)(=O)=O)cc1 5066847 KHGSDHQNEOJODZ-SECBINFHSA-N 257.311 1.234 0 50 CDAA O=C(COc1ccc(F)cc1Cl)N1CCOCC1 13329654 HIFYVYYTQRKNPG-UHFFFAOYSA-N 273.691 1.717 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 13944184 SAKWBNZRGBQYJB-SNVBAGLBSA-N 290.294 1.783 0 50 CDAA Cn1cccc1CN1CCN(Cc2ccco2)CC1 19842520 UWBWXKXALLETGL-UHFFFAOYSA-N 259.353 1.936 0 50 CDAA O=C(c1ccn2nccc2c1)N1C[C@H]2CC[C@@H](C1)NC2 1857729839 UNMBXZMZHDJCGR-AAEUAGOBSA-N 270.336 1.158 0 50 CDAA NC(=O)CC(=O)OCc1ccc(Cl)cc1Cl 225664361 YAXFKZPKUYZFKB-UHFFFAOYSA-N 262.092 1.912 0 50 CDAA CC[C@@H]1CC[C@@H](C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)O1 328639259 WUVAQHWJPBUQGV-UPJWGTAASA-N 292.383 1.182 0 50 CDAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(C(=O)O)c1 236771422 KBQNHONXSKNBHB-XQQFMLRXSA-N 289.331 1.928 0 50 CDAA NC(=O)Cn1cc(NC(=O)c2ccc(C3CCC3)cc2)cn1 240454672 FXZKKCAMQCTVAO-UHFFFAOYSA-N 298.346 1.888 0 50 CDAA C[C@@]1(O)CCN(C(=O)NCCc2c[nH]c3ccccc23)C1 252570606 WXVNOVQXULTESD-MRXNPFEDSA-N 287.363 1.877 0 50 CDAA Cc1ccc(S[C@H](C)C(=O)N2CCNCC2)cc1 19686577 ATBKWVLGADCDFE-GFCCVEGCSA-N 264.394 1.907 0 50 CDAA Cc1nn(CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1CO 902505060 FNMHJHFHKSAGMA-JTQLQIEISA-N 291.326 1.700 0 50 CDAA CO[C@@H]1CC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1 234794141 WOUBQMZAPSEJPT-ZNMIVQPWSA-N 274.364 1.385 0 50 CDAA CN(C(=O)CCc1cnn[nH]1)[C@@H]1CCc2ccccc2C1 865881886 OGAVOONHFAHEIG-OAHLLOKOSA-N 284.363 1.753 0 50 CDAA Cn1ccnc1C1(O)CN(C(=O)CCCC2CC2)C1 952884120 YHTANPNUDJAXGM-UHFFFAOYSA-N 263.341 1.030 0 50 CDAA COc1cccc(NC(=O)[C@@H]2CCOC(=O)CC2)c1 1875288729 ZZCKJZOPQIUDPG-JTQLQIEISA-N 263.293 1.977 0 50 CDAA Cc1cc(NC(=O)N2CC[C@@H](c3ncc[nH]3)C2)on1 1875269378 JNRTYECYMMUXMA-SECBINFHSA-N 261.285 1.728 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCn2cccc2[C@@H]1CC 1875366199 GBELWYCDJNECTJ-LBPRGKRZSA-N 275.352 1.426 0 50 CDAA CCC(=O)N1CC[C@H](NCc2nc(C)c(C)n2C)C1 1875304223 DKBOCRXLNMRKIH-LBPRGKRZSA-N 264.373 1.137 0 50 CDAA O=C(NS(=O)(=O)c1ccc(F)cn1)[C@@H]1C[C@@H]2CC[C@@H]21 1875313530 OSXOUPJIAYBAPY-UJNFCWOMSA-N 284.312 1.072 0 50 CDAA C=CC(=O)NC[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1875369955 SOIXFCVHYJOPST-GRYCIOLGSA-N 296.367 1.313 0 50 CDAA COc1ccc(C(=O)NCCn2cc3ccccc3n2)cn1 1875319119 ZPXQZFHMDKBYIR-UHFFFAOYSA-N 296.330 1.870 0 50 CDAA C[C@@H]1Nc2ccccc2[C@@H]1C(=O)N1CCC[C@@H](C(=O)O)C1 1875309886 SWUOPKVMMULQMM-MISXGVKJSA-N 288.347 1.907 0 50 CDAA C=CC(=O)NCC(=O)N[C@@]1(C)CCc2ccccc21 1875301450 KTHWRORFLCHTQH-HNNXBMFYSA-N 258.321 1.266 0 50 CDAA O=S(=O)(Nc1cnc2c(c1)CCO2)c1ccccc1 1875317069 MSLDETNQQJPBJX-UHFFFAOYSA-N 276.317 1.817 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2NC(=O)C=C2CCC2)cnn1C 886056856 URMDRIBEGIJTOG-DZGCQCFKSA-N 275.352 1.785 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2c(C)ccn2C)C1 888077841 XZLXAVSDYPFFKS-VXGBXAGGSA-N 288.351 1.659 0 50 CDAA CCCS(=O)(=O)N1CCN(C2CCCCC2)CC1 19853657 GTBCBWVPMKTBQH-UHFFFAOYSA-N 274.430 1.677 0 50 CDAA CC1(C)NC(=O)CC[C@@H]1NC[C@@H]1Cc2ccccc2CN1 1775962740 BHHVEVNWWZYZGQ-GJZGRUSLSA-N 287.407 1.348 0 50 CDAA CNC[C@H]1CCCN1C(=O)COc1ccc(F)cc1F 178285585 BBWDJAPRVODTDJ-LLVKDONJSA-N 284.306 1.554 0 50 CDAA Nc1nc(C(=O)N[C@@H]2CCCN(C3CCCC3)C2)cs1 299794474 KLCTZOUMNYEROO-SNVBAGLBSA-N 294.424 1.862 0 50 CDAA O=C(NCC1(O)CCC(F)(F)CC1)c1cncs1 620321070 MMADAAHPGSKSBC-UHFFFAOYSA-N 276.308 1.813 0 50 CDAA CCc1cnc(N)nc1N1CC[C@H](N2CCCC2)C1 95372350 KCAGJVJPHMDVLV-LBPRGKRZSA-N 261.373 1.296 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(c2nnc(C(C)C)s2)C1 375257153 DTFHMNVGCWIYFE-DTWKUNHWSA-N 257.359 1.248 0 50 CDAA O=C1CC[C@H](N=c2[nH]c3cc(Cl)ccc3o2)C(=O)N1 1857797827 YJZYWQLSWYSSNB-ZETCQYMHSA-N 279.683 1.120 0 50 CDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(O)cc1 19848757 JKNAFKBJEYVKOO-UHFFFAOYSA-N 289.287 1.193 0 50 CDAA CC(C)c1cc(CSc2ncnc(=N)[nH]2)[nH]n1 2325778407 YHQVEJMTCDNSAN-UHFFFAOYSA-N 250.331 1.423 0 50 CDAA CCc1cc(CC(=O)N2CC(c3cc(O)no3)C2)on1 2325803632 RJWLWRPUOUEDDH-UHFFFAOYSA-N 277.280 1.099 0 50 CDAA COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 122329 VPZYZFCZKZOOKA-LLVKDONJSA-N 269.322 1.013 0 50 CDAA COc1ccc(S(=O)(=O)Nc2ccccn2)cc1OC 270018 VCVFNFQMRYBKHY-UHFFFAOYSA-N 294.332 1.900 0 50 CDAA Cc1nnc(SCC(=O)N2CCCCC2)s1 611281 OOALYGCXTUFGIW-UHFFFAOYSA-N 257.384 1.951 0 50 CDAA NC(=O)[C@H]1CCCCN1C(=O)[C@H]1OCCc2ccccc21 133181379 LODCESWUWYCOQT-KGLIPLIRSA-N 288.347 1.167 0 50 CDAA Cc1ccc(N2CN=C3SCC(=O)N3C2)cc1C 1137807 MOGRDGVZYDEPBZ-UHFFFAOYSA-N 261.350 1.970 0 50 CDAA COc1ccc(NC(=O)C[C@@H]2SC(=O)NC2=O)cc1 1239555 FGZVZXHVLOQRLE-VIFPVBQESA-N 280.305 1.375 0 50 CDAA CC(C)(C)OC(=O)N1CCN(C(=O)c2ccco2)CC1 4810687 OBZSDNCSRJZPAG-UHFFFAOYSA-N 280.324 1.973 0 50 CDAA COC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 246154505 HUVASPOFPLGOAC-NTZNESFSSA-N 299.317 1.534 0 50 CDAA CC[C@@H](C)NC[C@H](O)COc1ccccc1OC 8844746 VXJQVAMMFVYRJF-NEPJUHHUSA-N 253.342 1.823 0 50 CDAA Cn1cc(N2C(=O)CN(Cc3ccc(F)cc3)C2=O)cn1 225456077 BUPHUABPIWBEOU-UHFFFAOYSA-N 288.282 1.528 0 50 CDAA O[C@H]1C[C@@H](c2cccc(F)c2)N(c2nccn3cnnc23)C1 225647218 ZWALGQZEZXLVNH-STQMWFEESA-N 299.309 1.576 0 50 CDAA CC[C@H](N)C(=O)N1CCC[C@H](CN2CCCC[C@H]2C)C1 246750776 ZVKPLFGNDYTKEV-KFWWJZLASA-N 281.444 1.837 0 50 CDAA CN(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 22606479 JCFVINYNTXBOEI-UHFFFAOYSA-N 276.745 1.170 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 101811395 XAFNYBNQKQMFSH-LPWJVIDDSA-N 257.289 1.662 0 50 CDAA Cc1ccc2nc(CN3CCC[C@H](C(N)=O)C3)[nH]c2c1C 67934337 YMHOPBCYBMKCOV-LBPRGKRZSA-N 286.379 1.877 0 50 CDAA O=C(CCn1nnc2ccccc21)N1[C@H]2CC[C@@H]1CCNC2 65372837 DAXZFMWFCQXHLJ-OLZOCXBDSA-N 299.378 1.174 0 50 CDAA COCCN1CC[C@@H](CN2C[C@H](C)O[C@H](C)C2)C1 20865499 JAJCIDJDPMTPMG-HZSPNIEDSA-N 256.390 1.064 0 50 CDAA CN(C[C@H]1CCCN([C@@H]2C=CCCC2)C1)S(C)(=O)=O 253417346 XDRNTGIBIUYOCI-ZIAGYGMSSA-N 286.441 1.699 0 50 CDAA CCC[C@@H](O)CNC(=O)[C@@H]1CCCN(C(=O)OCC)C1 154361979 VNALSKQENREEPF-VXGBXAGGSA-N 286.372 1.132 0 50 CDAA C[C@@H]1[C@@H](NC(=O)CN(C)[C@H](C)C(=O)O)CCC[C@H]1C 251882480 RGSJZPNCXTWJLY-KXNHARMFSA-N 270.373 1.332 0 50 CDAA O=C(COCC(F)(F)F)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 305113241 DPYWWDINKZQXCA-CKEKPRIKSA-N 281.274 1.089 0 50 CDAA Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 2102 DZQVFHSCSRACSX-UHFFFAOYSA-N 264.310 1.168 0 50 CDAA biogenic,in-man CC(C)(C)c1ncc2c(n1)CN(c1ncccc1C(N)=O)C2 67754615 BAHVCPFZVZYBSW-UHFFFAOYSA-N 297.362 1.788 0 50 CDAA COc1ccc(Cn2c([C@@H](C)OC)n[nH]c2=O)cc1 65393760 MGUFKXALKRAUSE-SECBINFHSA-N 263.297 1.336 0 50 CDAA Cc1csc(CNC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1 229167434 KXUJXUJSTWMEOQ-RYUDHWBXSA-N 294.424 1.878 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)C2=COCCC2)C1 328646863 SVGSPGWYIMZMGF-HNNXBMFYSA-N 294.395 1.250 0 50 CDAA CC[C@@H](NC(=O)c1cccc(=O)[nH]1)c1ncc(C)[nH]1 215067759 SNUNRHZTVLARFB-SECBINFHSA-N 260.297 1.288 0 50 CDAA Cc1nc(C)n(C[C@@H]2CCCCN2[C@@H]2C[C@@H](C)OC2=O)n1 229496407 WAVPTVRSRJMKGI-DDTOSNHZSA-N 292.383 1.453 0 50 CDAA CCOC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)O 72446999 XHTOCPPBUCKNOM-IDVQTMNDSA-N 291.303 1.222 0 50 CDAA O=C(Cc1ccccc1F)N1CCC[C@](O)(CO)CC1 72145550 IGRYQGZVWLKMKH-OAHLLOKOSA-N 281.327 1.104 0 50 CDAA COc1ccc(F)c(C(=O)NCc2nnc(C)o2)c1F 216158080 ZQKOSIFLZBWDIT-UHFFFAOYSA-N 283.234 1.595 0 50 CDAA Cc1cc(CNC(=O)[C@@](C)(O)C2CCC2)nc(C)n1 487788978 UICFXJIOCRXWRU-AWEZNQCLSA-N 263.341 1.261 0 50 CDAA CCc1ccccc1N1C(=O)[C@H]2C[C@@H](OC)CN2C1=O 328594868 FAJGBKSIBFPIMJ-DGCLKSJQSA-N 274.320 1.805 0 50 CDAA COc1ccccc1OC1CN(c2cnccn2)C1 77319083 REGMTOZHSLPLLJ-UHFFFAOYSA-N 257.293 1.753 0 50 CDAA O=C(NCc1cccnn1)N1CCCC[C@H]1c1cn[nH]c1 239367155 AHUQRERFVVPJPH-ZDUSSCGKSA-N 286.339 1.637 0 50 CDAA O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccc(CO)c(F)c1 367113534 KFUXOWJWOGXLDH-GFCCVEGCSA-N 289.310 1.328 0 50 CDAA O=C(C1CCC1)N1CCN(c2ccccc2)C(=O)C1 74756950 VGKCPWWMEYOOPH-UHFFFAOYSA-N 258.321 1.662 0 50 CDAA O=C(NOC[C@@H]1CCOC1)[C@H]1CC[C@@H](c2ccccc2)O1 367967811 IWOBVWSQWMUOCG-VHDGCEQUSA-N 291.347 1.991 0 50 CDAA CCc1nnc(CN2CCC[C@H](OCC3CC3)C2)n1C 368793124 SEPAORRCEVCELH-ZDUSSCGKSA-N 278.400 1.769 0 50 CDAA CC1(C)C[C@H](NC(=O)CCC(=O)O)c2cc(N)ccc2O1 261726271 QPNXOPCNFBCYDA-NSHDSACASA-N 292.335 1.852 0 50 CDAA CS(=O)(=O)N1CCCC[C@H]1CCn1cccn1 77470564 FCROAZAACXHMMU-NSHDSACASA-N 257.359 1.087 0 50 CDAA CC1(C)OC(=O)c2c1ccnc2NC[C@@]1(O)CCOC1 374351539 MTLTURHUSJLPSN-AWEZNQCLSA-N 278.308 1.050 0 50 CDAA CCc1cnc(CNC(=O)c2cc(C(N)=O)cs2)s1 173039175 YXLDFELCEGALCD-UHFFFAOYSA-N 295.389 1.796 0 50 CDAA O=C(Nc1ccc([C@H]2CCOC2)cc1)N[C@@H]1[C@H]2COC[C@H]21 333590275 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291.395 1.625 0 50 CDAA CCc1cc(N[C@@H]2CC(=O)N(C)C2)nc(N2CCCC2)n1 823503696 ANJIIFATWQBAKN-GFCCVEGCSA-N 289.383 1.282 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1n[nH]cc1Cl 822280938 NZQVUVGPQXIRER-SSDOTTSWSA-N 282.735 1.727 0 50 CDAA CCCN1CC[C@@H](Cn2cnc3cccnc3c2=O)C1 584891240 YIXILDHKUQNRAM-GFCCVEGCSA-N 272.352 1.523 0 50 CDAA C[C@H](CCN=c1[nH]ncc2ccccc12)N1CCN(C)CC1 584903702 KLJRWSLDFIYSPG-CQSZACIVSA-N 299.422 1.490 0 50 CDAA CN(C)c1cccnc1C(=O)N[C@@H]1CCCc2c[nH]nc21 901106074 KOILEEHTRDUUPS-LLVKDONJSA-N 285.351 1.678 0 50 CDAA CCCOc1cccc(CNC(=O)N[C@H]2CCNC2)c1 670446695 XRZFKKNRPZIBOT-ZDUSSCGKSA-N 277.368 1.637 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H]2[C@@H]1C2(F)F 1535647211 DFZGHIUZOKPDEX-BIIVOSGPSA-N 277.267 1.962 0 50 CDAA OC[C@H]1CCCCN1CCNCc1ccc(F)cc1F 952964837 QPPGXEXWHAFUJV-CQSZACIVSA-N 284.350 1.901 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NC1(c2cccc(F)c2)CC1 268941710 JYAXTOXAQHXGML-MNOVXSKESA-N 263.268 1.652 0 50 CDAA COC(=O)[C@@H]1CCN(C(=O)C2CC=CC2)C[C@@H]1C 170610020 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1.922 0 50 CDAA C[C@H]1CN(c2nnc(C(F)F)s2)C[C@@H](C)N1CCO 580933636 VYGYNTSLKZJVOH-OCAPTIKFSA-N 292.355 1.367 0 50 CDAA Cn1ccc(C2CCN(C[C@@H]3CCCNC3)CC2)cc1=O 1772813848 WQQQSSLLDUXOEK-CQSZACIVSA-N 289.423 1.564 0 50 CDAA CCc1cc(N2C[C@H]3C[C@]3(C)C2)nc(N2CCOCC2)n1 1772810899 QIYLPGHUFHKYMV-MLGOLLRUSA-N 288.395 1.722 0 50 CDAA C[C@@]12C[C@H]1CN(S(=O)(=O)c1cccc3c1OCCO3)C2 1775979716 OLKNSNLEFITYBM-HZMBPMFUSA-N 295.360 1.488 0 50 CDAA CCC(=O)c1ccc(OCCON2C(=O)CCC2=O)cc1 5049848 HVFSADJKZWNIIL-UHFFFAOYSA-N 291.303 1.739 0 50 CDAA NC(=O)c1ccccc1NC(=O)COc1ccccc1F 5216427 KKUNOWNXBLMLAL-UHFFFAOYSA-N 288.278 1.942 0 50 CDAA COCCNCC[C@H]1CCC(=O)N1CCc1cccs1 12037874 AICMEHLJNZZTJL-CYBMUJFWSA-N 296.436 1.908 0 50 CDAA CNC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@H]21 16036444 ZLLYQMRMDBRZGG-TZMCWYRMSA-N 259.353 1.942 0 50 CDAA CCOc1ccc2c(c1)/C(=C1/SC(=O)NC1=O)C(=O)N2 17197654 JLGUDOJAINCRHU-KTKRTIGZSA-N 290.300 1.732 0 50 CDAA Cn1cc(CCn2ccnc2-c2ccc(C(N)=O)cc2)cn1 1857700140 OVYJYNSYXJZBPN-UHFFFAOYSA-N 295.346 1.625 0 50 CDAA CN1CCN(c2ccc(C(=O)N3C[C@H]4C[C@@]4(C)C3)cc2)CC1 1857691273 CPKVVZASFNWDEW-QAPCUYQASA-N 299.418 1.920 0 50 CDAA COc1cccc([C@@H](C(=O)O)N2C[C@@H]3CC[C@H](C2)O3)c1 634695898 BNXYVXAPWMVALD-MJBXVCDLSA-N 277.320 1.684 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CNC1CC1 237546889 HWWHGRGAWUOLJX-GFCCVEGCSA-N 262.357 1.442 0 50 CDAA Cc1ccccc1C(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O 337160099 SKIGCEWVAQZWSH-BZUAXINKSA-N 289.375 1.997 0 50 CDAA C[C@H](CC(C)(C)O)OC(=O)c1ccnc(N(C)C)c1 253426183 YJCOREGEJWBPBJ-SNVBAGLBSA-N 266.341 1.854 0 50 CDAA CS[C@@H](C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 154144163 XDHYTWPPNKEFRQ-WDEREUQCSA-N 282.413 1.257 0 50 CDAA COc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)ccc1F 127520127 HDUJDNJWYAHPEG-CQSZACIVSA-N 281.283 1.817 0 50 CDAA Cc1ccc(C(=O)N2CCC(NCC3CC3)CC2)n1C 127531326 OKPGSHCDENGYNO-UHFFFAOYSA-N 275.396 1.938 0 50 CDAA O=C(NOCCN1CCCC1=O)[C@H]1CCc2ccccc21 856040285 XNQVASJQPDZDHJ-AWEZNQCLSA-N 288.347 1.387 0 50 CDAA Cc1noc(C)c1S(=O)(=O)Nc1nocc1C1CC1 1875280086 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290.411 1.656 0 50 CDAA COCc1ncc(C(=O)NCc2nccs2)s1 285020424 GXINPDKFUOQNJU-UHFFFAOYSA-N 269.351 1.676 0 50 CDAA Oc1nnc(C2CCN(C[C@H]3CCCO3)CC2)o1 450914458 MHRGZHVPISPGMS-SNVBAGLBSA-N 253.302 1.134 0 50 CDAA CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c[nH]1 336038188 KNZVGECZZLZGDI-IUCAKERBSA-N 269.732 1.313 0 50 CDAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccncc1O 221398144 REKHLBIAJOCTBM-NSHDSACASA-N 264.325 1.818 0 50 CDAA O=C(CCc1nnc[nH]1)N1CCC[C@@H]1CN1CCCCC1 177192836 ORVFVJKSQGETQQ-CYBMUJFWSA-N 291.399 1.214 0 50 CDAA CCC[C@@H](CC(=O)O)NC(=O)c1cc(=O)cc(C)o1 220753536 LMYCFPUFZJIUIT-VIFPVBQESA-N 267.281 1.321 0 50 CDAA CCCn1cc(CNc2cc(C3CC(N)C3)ncn2)cn1 223748955 XUIPKFHSTARLBC-UHFFFAOYSA-N 286.383 1.900 0 50 CDAA O=C1NC(=O)C2(CC2)c2cc(Br)ccc21 379948556 DMTMUGHOPYNKOZ-UHFFFAOYSA-N 266.094 1.751 0 50 CDAA CCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OC)cs1 222696424 YYRYPCGVMKEHAN-VXGBXAGGSA-N 269.366 1.844 0 50 CDAA Cc1cc([C@@H]2CCCCN2C(=O)CN2CCOC2=O)no1 220201404 HAPKQIYOARDGMX-LBPRGKRZSA-N 293.323 1.489 0 50 CDAA Cc1nn(-c2ccccc2)c(Cl)c1C[C@H](N)C(=O)O 44283890 YBQSXSZJIJGLKY-NSHDSACASA-N 279.727 1.789 0 50 CDAA O=C(NCCc1cccs1)N1CCN2C(=O)OC[C@@H]2C1 426519396 YGMZTCXRNPULAQ-JTQLQIEISA-N 295.364 1.137 0 50 CDAA Cc1ccnc(C[C@H](C)N(C)C(=O)CCC(=O)O)c1 426387271 LKIFFPUFANELIN-NSHDSACASA-N 264.325 1.644 0 50 CDAA Cc1nc(C)c(C(=O)NC2(C(=O)O)CCCC2)[nH]1 426496985 RPTASPTYBDYRFK-UHFFFAOYSA-N 251.286 1.154 0 50 CDAA Cc1nc([C@H]2CCOC2)cc(=NCc2cccnc2)[nH]1 426402129 XGQUNUUJEGXMBI-ZDUSSCGKSA-N 270.336 1.718 0 50 CDAA Cc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)c(=O)n1C 426490685 WWCRBMOUWOZDHK-GFCCVEGCSA-N 285.347 1.922 0 50 CDAA COc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)c1 293624521 SZQCMRCPDKGDAV-FZMZJTMJSA-N 290.363 1.535 0 50 CDAA NC(=S)c1ncc(-c2ccccc2)nc1C(N)=S 98042882 BVMHFEHRPLMZFI-UHFFFAOYSA-N 274.374 1.412 0 50 CDAA CCC[C@@H]1CN(Cc2cccnc2N)C[C@H]1C(=O)O 91931696 DKAFGVLTSZHGQR-ZYHUDNBSSA-N 263.341 1.597 0 50 CDAA c1cc(-c2nc([C@H]3CCOC3)no2)cc(-n2cnnc2)c1 96136151 XIJXOOCNRKSYMC-NSHDSACASA-N 283.291 1.821 0 50 CDAA Cc1nccn1CC1(CNC(=O)Cc2cscn2)CC1 96165745 GKWGKTXRHFFPLT-UHFFFAOYSA-N 290.392 1.787 0 50 CDAA Cc1ccc2[nH]c(CNC[C@@H]3CCOC3)cc(=O)c2c1 91535160 JUDMMXBRNRSVGZ-LBPRGKRZSA-N 272.348 1.963 0 50 CDAA Cc1nc(C)c(CC(=O)NCCCn2ccnc2)s1 97604299 LYZRTFMYBVAKFZ-UHFFFAOYSA-N 278.381 1.705 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)c1cccc(-n2ccnc2)c1 237425908 FSUVVGMIOJYYIJ-TZMCWYRMSA-N 284.363 1.824 0 50 CDAA CCCc1nnc(N2CCCN(C(C)=O)CC2)o1 95358183 QPGUXGFLHWACHJ-UHFFFAOYSA-N 252.318 1.081 0 50 CDAA CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)on1 95509681 AQCPIKPGUOIMAD-LLVKDONJSA-N 280.324 1.952 0 50 CDAA CCc1nccn1CCC(=O)N1CCC[C@@]2(CCOC2)C1 91382216 SYTMIONJESNPHE-MRXNPFEDSA-N 291.395 1.865 0 50 CDAA COc1nccc(NC(=O)N2CCC[C@H](CO)CC2)n1 297045198 XNHQAXUHHGMOSX-JTQLQIEISA-N 280.328 1.112 0 50 CDAA COc1cccc2c(N[C@@H]3CCOC[C@H]3O)ccnc12 624686649 SBQKQWAVBMTUIT-CHWSQXEVSA-N 274.320 1.805 0 50 CDAA CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1C(=O)O 299752080 SRBYDXXALYPHOB-NRUUGDAUSA-N 257.330 1.011 0 50 CDAA CC1=CC[C@H]2CN(C(=O)Cc3nonc3C)C[C@H]2C1 1074611666 ALQZNGXGLMECBS-NWDGAFQWSA-N 261.325 1.735 0 50 CDAA C[C@H](C(=O)Nc1ccccn1)N1CCC2(CCO2)CC1 252497511 QJSSNPHOLPMAFG-GFCCVEGCSA-N 275.352 1.664 0 50 CDAA O=c1ccc(Br)nn1Cc1ccccn1 255188340 JKYLPRSZIVNWFV-UHFFFAOYSA-N 266.098 1.449 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1cncc(F)c1 534576060 DXVNWULAJZBKMF-SECBINFHSA-N 277.303 1.713 0 50 CDAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@@H]1CCNC1=O 534642981 VWCRZKHCHHSLEK-LLVKDONJSA-N 284.319 1.003 0 50 CDAA CO[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2)C1 267766557 OJDNIAIBULIJDU-LBPRGKRZSA-N 273.329 1.376 0 50 CDAA O=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cncnc1 534645471 ZTOGTOAONGJPLI-CYBMUJFWSA-N 288.395 1.861 0 50 CDAA COc1cccc(N2CCC(NC3(C(=O)O)CC3)CC2)c1 534673001 CNJCNZGDRNNBDP-UHFFFAOYSA-N 290.363 1.871 0 50 CDAA Cc1ccsc1C(=O)N1CCN2C(=O)OC[C@H]2C1 374574757 ARWVOVYZGAHJHX-SECBINFHSA-N 266.322 1.333 0 50 CDAA Cc1ncn(C)c1C(=O)N1CCC[C@@H](c2nccn2C)C1 299773259 BXUPLYAERQOLQC-GFCCVEGCSA-N 287.367 1.482 0 50 CDAA O=C(NC[C@H]1COCCO1)Nc1ccc2[nH]ncc2c1 299768885 QSGVTOOOQLYSMZ-NSHDSACASA-N 276.296 1.100 0 50 CDAA Cc1nonc1CC(=O)NCc1cc(C(C)(C)C)n[nH]1 299780466 SQBZPGHPVGHXCP-UHFFFAOYSA-N 277.328 1.258 0 50 CDAA CN(CCCc1nccn1C)C(=O)c1ccc(CN)cc1 299760070 UYQOZNNFDVFSKJ-UHFFFAOYSA-N 286.379 1.584 0 50 CDAA Cc1noc(C)c1CCC(=O)N1CCC(C2(O)CC2)CC1 652670475 TVGKDOUFBQIYOZ-UHFFFAOYSA-N 292.379 1.988 0 50 CDAA CC(C)C(=O)N1CCC[C@@H](N=c2cc[nH]cc2F)C1 584894351 ACVGPBZNJIFKOJ-LLVKDONJSA-N 265.332 1.702 0 50 CDAA C[C@@H](NC(=O)CCCN1CCCCCC1)c1nncn1C 584903982 SKCMVTBGLWBFNX-CYBMUJFWSA-N 293.415 1.649 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)O)N(C(=O)[C@@H]2CC=CCC2)C1 585134162 GIPFKQRQKRKPMG-GMTAPVOTSA-N 281.308 1.119 0 50 CDAA O=C(C[C@@H]1C=CCC1)NCCN1CCCCC1=O 584892573 GFIWLTQTVPIVHP-GFCCVEGCSA-N 250.342 1.471 0 50 CDAA CC(C)C[C@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)CC(=O)O 585135065 WBJHHBQGRCUFQI-NEPJUHHUSA-N 295.383 1.842 0 50 CDAA Cc1nnc(CN2CCC(O)(c3ccccn3)CC2)s1 670468416 NVKHCZRRSMDALP-UHFFFAOYSA-N 290.392 1.725 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC2CCS(=O)(=O)CC2)n1 670442275 KSQKLKWYUNXHCG-NSHDSACASA-N 285.413 1.055 0 50 CDAA Cc1cc(C)cc(C(=O)N2CC(N[C@H]3CCOC3)C2)c1 1412711405 WUTXWUGJMKKPJV-AWEZNQCLSA-N 274.364 1.506 0 50 CDAA COC(=O)[C@H](N)CCCCNC(=O)OCc1ccccc1 54965451 RQDDIHNPUSEQFX-CYBMUJFWSA-N 294.351 1.583 0 50 CDAA in-vitro COc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OC)cc1C 1565525141 NRMQZEUOLARDIO-JSGCOSHPSA-N 279.336 1.537 0 50 CDAA O=C(N1CCOc2ccc(F)cc2C1)C1(O)CCOCC1 408377590 XVBQKFBNBIWWEX-UHFFFAOYSA-N 295.310 1.088 0 50 CDAA COCC(=O)N1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 408521123 JDNNMEXEQLDJJM-HNNXBMFYSA-N 298.383 1.635 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCc1ccncn1 408522683 LNBXPNCIWSPTTQ-LLVKDONJSA-N 292.339 1.102 0 50 CDAA Cc1nn(C)cc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 268958449 ZVQGPHPLYDASRC-UHTWSYAYSA-N 291.351 1.586 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cnn(-c3ccccc3C)c2)C1 269172493 JTVOKRKDTZCFBX-CQSZACIVSA-N 298.390 1.862 0 50 CDAA C[C@@H](O)CN(C)S(=O)(=O)c1cnc2ccccc2c1 170091102 PIHRNPGJPCOJIX-SNVBAGLBSA-N 280.349 1.236 0 50 CDAA O=C1CNC(=O)N1Cc1ncoc1-c1ccccc1 170068336 RSOUJENKNFGJBJ-UHFFFAOYSA-N 257.249 1.393 0 50 CDAA C[C@H]1NC(=O)N(CCc2nc(C(F)(F)F)cs2)C1=O 170068428 GWJYQNXPVUVDRS-RXMQYKEDSA-N 293.270 1.645 0 50 CDAA COC(=O)[C@H](C)N(C(=O)c1cccnc1)C1CCC1 170611508 AOPSEKICFNBEIS-JTQLQIEISA-N 262.309 1.638 0 50 CDAA C[C@@H]1CC[C@@H](C(N)=O)CN1c1cc(NCC2CC2)ncn1 170604135 WZLCWEQWFOAPFN-ZYHUDNBSSA-N 289.383 1.389 0 50 CDAA CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C)Sc1ccccn1 170609966 LDIVVKAOLDLJAU-MNOVXSKESA-N 295.408 1.545 0 50 CDAA CCOC(=O)c1cnc2ncc(Br)cn12 91303609 WDILKVDGYVAARP-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA in-vitro CC[C@@H]1OCCC[C@@H]1C(=O)NCc1nc[nH]c1C 277203426 XAXJJIZHNDZAGM-JQWIXIFHSA-N 251.330 1.540 0 50 CDAA C=CC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 685940204 XXVVOYCTPZIAJM-LLVKDONJSA-N 260.341 1.854 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ncc(Cl)n1C 190074838 CMLYEFQHAZOTNC-NXEZZACHSA-N 285.775 1.847 0 50 CDAA CCC(=O)NS(=O)(=O)c1cnn(-c2ccccc2)c1 193566967 HPWLMTFZISSEEQ-UHFFFAOYSA-N 279.321 1.087 0 50 CDAA COc1cccc2c1CN(C(=O)c1cnn(C)c1C)CC2 653979021 DLXQZGROVGNQAM-UHFFFAOYSA-N 285.347 1.936 0 50 CDAA C[C@@H]1CN(Cc2nnc([C@H]3CCCOC3)o2)C[C@@]1(C)CO 662143655 PYCGHAHILSAYJA-XUJVJEKNSA-N 295.383 1.414 0 50 CDAA Cn1ncc(Br)c1C(=O)N=S(C)(C)=O 693699475 ASBBWPQOBNSKTD-UHFFFAOYSA-N 280.147 1.050 0 50 CDAA C/C(=C\C(=O)N=c1ccn(CC(=O)O)[nH]1)c1ccccc1 584908066 AEYXIMUZKBWZCM-PKNBQFBNSA-N 285.303 1.432 0 50 CDAA COc1cc(NS(=O)(=O)C[C@H](C)OC)cc(Cl)n1 585128800 NVEGYCMEMVJKDH-ZETCQYMHSA-N 294.760 1.520 0 50 CDAA CCCO[C@H]1CCCN(Cc2ncnn2CC)C1 1506415504 YCEKPLRTUGUZLB-LBPRGKRZSA-N 252.362 1.689 0 50 CDAA COc1ccc(CN(C)CCc2cnn(C)c2)cn1 215369267 OZHPBOZCPUMKGT-UHFFFAOYSA-N 260.341 1.498 0 50 CDAA CCCO[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1 1506400132 AQFZGHZMSLTWGW-ZDUSSCGKSA-N 282.384 1.417 0 50 CDAA CC(=O)NCCCC(=O)Nc1cnn(C(C)C)c1 1529180928 MXHDUSCKSWQSDX-UHFFFAOYSA-N 252.318 1.319 0 50 CDAA Cc1nc(-c2nccn2[C@@H]2CCN(C)C2=O)n(C)c1C 1857708579 AYFCWYQUYYRHSE-LLVKDONJSA-N 273.340 1.304 0 50 CDAA COC(=O)C[C@@H](c1ccco1)c1c(O)n(C)c(C)cc1=O 1547204197 NYWFSHIFAHDACT-JTQLQIEISA-N 291.303 1.687 0 50 CDAA O=C(O)CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl 238187138 FFQNRVPJDQKQFM-NKWVEPMBSA-N 271.675 1.783 0 50 CDAA COC[C@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 4141266 VDPCCMFCJXGJPS-RWCYGVJQSA-N 263.293 1.580 0 50 CDAA biogenic C[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 123205934 KEZSUZCBIFWAEA-MRVPVSSYSA-N 276.292 1.022 0 50 CDAA CNC(=O)CCCC(=O)N1CCC2(CCOCC2)[C@H]1C 376382619 DHLGCCHKZOXRKI-GFCCVEGCSA-N 282.384 1.320 0 50 CDAA Cc1nsnc1C(=O)N[C@@H](C)c1nncn1C(C)C 1775981305 JKVJQLMDWGOXEZ-QMMMGPOBSA-N 280.357 1.510 0 50 CDAA COc1ccc(/C=C/CN2C[C@@H]3[C@@H](C2)C3(CO)CO)cc1 1772711682 IYNBKEPAJDWOQV-REUDQUMMSA-N 289.375 1.241 0 50 CDAA CC(C)(CN1CCCC1)CN1C[C@@H]2COCC[C@]2(CO)C1 1772708384 CQFNNVSCMVCHPV-NVXWUHKLSA-N 296.455 1.439 0 50 CDAA COCCN1CCN(C[C@@H](C)c2ccccc2)CCC1=O 12280094 HSFCPCMBNKCBRH-OAHLLOKOSA-N 290.407 1.971 0 50 CDAA CC(=O)Oc1cc(C=O)c([N+](=O)[O-])cc1OC(C)=O 5383322 SBFRITRWHINWHD-UHFFFAOYSA-N 267.193 1.258 0 50 CDAA CN1C[C@H]2[C@@H](C1)OC(=O)N2CCc1ccc(F)cc1 14977139 AZXADFDNELIKFA-QWHCGFSZSA-N 264.300 1.503 0 50 CDAA CC(C)NC(=O)Nc1sc2c(c1C(N)=O)CCC2 16650020 XMVUUJYOVPCLHK-UHFFFAOYSA-N 267.354 1.866 0 50 CDAA CNC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1 206642350 JAYOVHRQVVSJMC-UHFFFAOYSA-N 293.330 1.748 0 50 CDAA Cc1cc(C)n(CCCN(C)c2ncc3cn[nH]c3n2)n1 1857677060 WIUUJIQJGMORSO-UHFFFAOYSA-N 285.355 1.693 0 50 CDAA Cc1nc(N2CCC3(CC2)C[C@@H](N)CO3)c2[nH]ccc2n1 1857699653 XRQMBGHWNPQKFM-LLVKDONJSA-N 287.367 1.353 0 50 CDAA NC[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](CCO)CC2)C1 331542273 XVLIEFVWLFOBAL-MJBXVCDLSA-N 283.416 1.308 0 50 CDAA C[C@H](Cc1ccccc1)NCc1cc(O)nc(O)n1 670419694 PKYQXAKQVRETGF-SNVBAGLBSA-N 259.309 1.609 0 50 CDAA CC[C@H]1CN([C@@H](CC)C(=O)Nc2nccs2)CCO1 253404982 GJPOSNYFGQNCCG-QWRGUYRKSA-N 283.397 1.971 0 50 CDAA CC[C@H]1C(=O)NCCN1c1cccc(-n2cc(C)cn2)n1 377972393 PDELZCAWBQUVQY-LBPRGKRZSA-N 285.351 1.291 0 50 CDAA CN(Cc1ccc2c(c1)OC(F)(F)O2)Cc1cn(C)nn1 585090875 VNKNEGJYDSHIOU-UHFFFAOYSA-N 296.277 1.769 0 50 CDAA Cc1nn[nH]c1NS(=O)(=O)c1ccc(OC(C)C)cc1 585129726 TZYWROBCHBEJFH-UHFFFAOYSA-N 296.352 1.701 0 50 CDAA C[C@@H](C(=O)O)N1CCO[C@@H](CCc2ccccc2)C1 263565674 FSESOXPKCPDCFH-JSGCOSHPSA-N 263.337 1.793 0 50 CDAA Cc1ccccc1OCC(=O)NC1(C(=O)O)CCC1 164869046 SEOJXQNHPWFMSX-UHFFFAOYSA-N 263.293 1.497 0 50 CDAA Cc1nc(O)c2c(n1)CN(S(=O)(=O)c1ccc(C)o1)C2 907374774 FWHPANTZQBFDGF-UHFFFAOYSA-N 295.320 1.097 0 50 CDAA NC(=O)[C@H](NCC1(O)CCC1)c1ccc(Cl)cc1 1120569549 BJSALXSJWCEILQ-LLVKDONJSA-N 268.744 1.371 0 50 CDAA O=S(=O)(NCc1cc2n(n1)CCCC2)c1cccnc1 874435611 ZFHHIWHRDKVRRL-UHFFFAOYSA-N 292.364 1.093 0 50 CDAA Cc1nonc1CNC(=O)N1CCOC[C@@H](C2CCC2)C1 876437562 KQLAOWBDEGSWNY-LBPRGKRZSA-N 294.355 1.336 0 50 CDAA O=C(NO[C@@H]1CCOC1)[C@H]1CSc2ccccc21 1875259112 ABPWFVPUMJRDMC-KOLCDFICSA-N 265.334 1.713 0 50 CDAA COCc1ocnc1CN[C@H]1CCNC(=O)c2[nH]ccc21 1875346853 NUSLZLWVIWXDMB-JTQLQIEISA-N 290.323 1.114 0 50 CDAA CCc1nnc2n1C[C@H](NC(=O)C1C3CCC1CC3)CC2 1875307426 YGVWFEKDVXWGNP-VDZFAJSBSA-N 288.395 1.708 0 50 CDAA O[C@@H]1C[C@@H](Cn2cc(Cl)cn2)C[C@H]1Nc1ncccn1 1875398832 GKHHPJWVHLTOCW-MVWJERBFSA-N 293.758 1.578 0 50 CDAA C=CC(=O)N(C)CC(=O)NC1(CC(F)(F)F)CC1 1875366284 NCPBGXBQAIQLIU-UHFFFAOYSA-N 264.247 1.232 0 50 CDAA O=C(N[C@@H]1CC[C@H](OC(F)F)C1)c1ccn2nnnc2c1 888093015 XZYIILMBKKYZAN-BDAKNGLRSA-N 297.265 1.014 0 50 CDAA CC(C)c1nn(C)cc1-c1noc([C@H]2CNC[C@@H](C)O2)n1 888078282 GIMJICJADGLPKG-MWLCHTKSSA-N 291.355 1.643 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCc3occc32)O1 249181851 NJGZDMCYNKYNOW-WCQGTBRESA-N 279.292 1.405 0 50 CDAA CCn1nnc(C)c1CS(=O)(=O)C/C(C)=C/Cl 899496144 GBOAQQZZPCCJOB-VMPITWQZSA-N 277.777 1.664 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)COC1CCCCC1 136530258 VUFLVPJMBMXJLF-GFCCVEGCSA-N 269.341 1.801 0 50 CDAA O=C(O)C[C@H]1CCCN(C(=O)Cc2cccnc2)CC1 299746094 VGCOSJIFMWVBKO-LBPRGKRZSA-N 276.336 1.728 0 50 CDAA Cc1nscc1C(=O)N1CCC(C(=O)O)CC1 192415873 GFBVIKFDTNUWTI-UHFFFAOYSA-N 254.311 1.388 0 50 CDAA Cn1cncc1CN1CCn2c(nnc2C(F)(F)F)C1 328682541 VQXZDYWHWKWIRG-UHFFFAOYSA-N 286.261 1.046 0 50 CDAA Cc1cc(C(F)(F)F)nc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)n1 368298398 GGHVWHXWRKNQBJ-BRPSZJMVSA-N 273.258 1.478 0 50 CDAA O=C(NCc1cc(C2CC2)n[nH]1)c1cncc(F)c1 584892228 DGGHKTVEXHQILU-UHFFFAOYSA-N 260.272 1.751 0 50 CDAA COc1ccc(C(=O)NC2(CC(=O)O)CC2)c(O)c1 398320456 GMPAACORODOUTJ-UHFFFAOYSA-N 265.265 1.138 0 50 CDAA Fc1ccc(OCCN2C[C@@H]3CCN[C@@H]3C2)cc1 534653373 GHHYFQLTXWIAEL-SMDDNHRTSA-N 250.317 1.498 0 50 CDAA C/C(Cl)=C/Cn1cc(CN(CC(N)=O)C(C)C)nn1 2325761555 VSMUIOABHAYNCO-WMZJFQQLSA-N 285.779 1.116 0 50 CDAA N=c1[nH]ccc(=NCC[C@H](O)CCc2ccccc2)[nH]1 2325767445 WKPXCLDRIISVKO-CYBMUJFWSA-N 272.352 1.107 0 50 CDAA CCNc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 52210 FIQBHPKVBIZGPL-UHFFFAOYSA-N 280.376 1.350 0 50 CDAA COc1ccc(S(=O)(=O)NC2CC2)cc1Cl 615181 NGJTUCRMWYAFEM-UHFFFAOYSA-N 261.730 1.789 0 50 CDAA O=C1OCC[C@@H]1Sc1nnc(-c2ccco2)o1 617509 WSOAEUJWANDBGV-ZETCQYMHSA-N 252.251 1.737 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2O)cc1 617906 ZCTUOJBBDBZVLA-UHFFFAOYSA-N 291.328 1.819 0 50 CDAA COc1ccc(C(=O)NCc2ccc(C(=O)O)o2)cc1 619288 ANKTXHMWFXMPCS-UHFFFAOYSA-N 275.260 1.916 0 50 CDAA Cc1cc(Cl)ccc1N(CC(=O)O)S(C)(=O)=O 2578331 YMBUFXGHJNICCK-UHFFFAOYSA-N 277.729 1.499 0 50 CDAA Cc1occc1C(=O)NCCCN1CCCC1=O 4804475 CCXKPDWKYSZSRL-UHFFFAOYSA-N 250.298 1.330 0 50 CDAA O=C(NCCCn1ccnc1)c1ccc2nccnc2c1 4809655 JWICRJWTZKXHEN-UHFFFAOYSA-N 281.319 1.646 0 50 CDAA CCCCNC(=O)c1ccccc1NS(C)(=O)=O 6244056 RYMDLCIRXNYZKW-UHFFFAOYSA-N 270.354 1.588 0 50 CDAA CCC[C@H](C)NC(=O)c1ccccc1NS(C)(=O)=O 6266877 VLHGPPSEXLHCOM-JTQLQIEISA-N 284.381 1.977 0 50 CDAA Cc1ccc(S(=O)(=O)Nc2ncccn2)c(C)c1 6700230 GAJFBTBTIPYCSH-UHFFFAOYSA-N 263.322 1.894 0 50 CDAA C[C@@H]1CN(S(=O)(=O)NCCC[Si](C)(C)C)CCO1 225828746 GBFPZLJHZMLDLL-LLVKDONJSA-N 294.493 1.270 0 50 CDAA O=C(O)CNc1nc(O)c2c(ncn2Cc2ccccc2)n1 9065378 VXXSXYHFGZNJPM-UHFFFAOYSA-N 299.290 1.077 0 50 CDAA biogenic CC1(C)C[C@H](N[C@@H](C(N)=O)c2ccc(F)cc2)CO1 417988852 IACRJFDQKDRBDT-NWDGAFQWSA-N 266.316 1.509 0 50 CDAA CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCN(CCO)CC1 107271013 WEFIEZDURQFQGG-LSDHHAIUSA-N 264.413 1.589 0 50 CDAA O[C@@H]1CCN(c2ccnc(-c3ccc4c(c3)OCCO4)n2)C1 65395614 OJAYDZKYEMOIEN-GFCCVEGCSA-N 299.330 1.486 0 50 CDAA COC[C@H](C)NCCC(=O)Nc1cc(F)ccc1F 65399072 NLQADYVWJDMVGP-VIFPVBQESA-N 272.295 1.918 0 50 CDAA N[C@@]1(C(=O)O)CCN(Cc2c[nH]nc2C2CCCCC2)C1 67822185 QGTJNJUELBVUGQ-HNNXBMFYSA-N 292.383 1.445 0 50 CDAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@H](C(=O)O)C2)C1 136165834 UCUGOQCJPSSHIX-FRRDWIJNSA-N 283.368 1.905 0 50 CDAA CCN(CC)C(=O)c1cccc(N(C)S(C)(=O)=O)c1C 67629951 JZBDMGSVDZAODF-UHFFFAOYSA-N 298.408 1.873 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(CO)c1 250109330 HELOPXQOVIAODT-CDGCEXEKSA-N 287.315 1.640 0 50 CDAA Cc1cc2c(c(-c3cc(C(N)=O)ccn3)c1)O[C@H](CN)C2 67640975 JCBDXQRAWQLXGE-LBPRGKRZSA-N 283.331 1.418 0 50 CDAA CCSc1ncc([C@@H]2NCCc3[nH]cnc32)cn1 65370881 GRSNYDURDANKOE-JTQLQIEISA-N 261.354 1.547 0 50 CDAA C[C@H](CN(C)c1ncnc2[nH]ccc12)N1CCOCC1 65456401 UAKNEWCXIOJCIE-LLVKDONJSA-N 275.356 1.115 0 50 CDAA Cc1[nH]nc2c1[C@@H](c1nccn1C(C)C)CC(=O)N2 67774113 XLKCOZSJNRQTHJ-VIFPVBQESA-N 259.313 1.970 0 50 CDAA O=C(C[C@H]1SC(=O)NC1=O)Nc1ccccc1 1218514 MHVFCXLTYWVBEA-MRVPVSSYSA-N 250.279 1.367 0 50 CDAA O=c1c2sccc2ncn1Nc1ccc(Cl)nn1 1395954 UDRFKAUYKBMQRS-UHFFFAOYSA-N 279.712 1.777 0 50 CDAA CSc1nnc(N)n1C(=O)Nc1ccccc1C 1404607 HTKGWPDQGROPQJ-UHFFFAOYSA-N 263.326 1.971 0 50 CDAA CN(Cc1cc(C2CC2)on1)C(=O)c1ccc(N)nc1 219330580 LZVVPHYGXWBJEE-UHFFFAOYSA-N 272.308 1.801 0 50 CDAA COc1ccc(Cl)cc1N1C(=O)[C@H]2COCCN2C1=O 328594773 BJCUCBUZOOIZOW-SNVBAGLBSA-N 296.710 1.516 0 50 CDAA CCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@@H]1c1ncc[nH]1 328634864 UIXQSICIGWVPGP-BFHYXJOUSA-N 288.395 1.661 0 50 CDAA CN(C)c1nccc([C@@H]2CN(C(=O)C(C)(C)C)CCO2)n1 328630096 PNPYENIDTFCEFU-LBPRGKRZSA-N 292.383 1.489 0 50 CDAA O=C(O)C1CCN(C(=O)c2cc(Cl)ccn2)CC1 36819533 YYZDHXCAZBYURQ-UHFFFAOYSA-N 268.700 1.672 0 50 CDAA Cc1ncc(CNS(=O)(=O)[C@H]2CCO[C@@H](C)C2)s1 253430255 QEORXGPMHDWJHJ-KWQFWETISA-N 290.410 1.438 0 50 CDAA C[C@@H](COCC(F)(F)F)NC(=O)[C@@H]1CCCCN1 253430213 DWRFNVPSEMBMAU-IUCAKERBSA-N 268.279 1.212 0 50 CDAA O=C(CCCc1ccccc1)N1CCC[C@@](O)(CO)CC1 72120685 DZDFJMWKLMXKBN-KRWDZBQOSA-N 291.391 1.745 0 50 CDAA COc1cccc(OC)c1-c1nc(N)c2cnn(C)c2n1 216003753 OEEMJMMKJDDJQW-UHFFFAOYSA-N 285.307 1.630 0 50 CDAA COC(=O)[C@H](O)CNC(=O)CC1CC(c2ccccc2)C1 253395790 RJAJWDZYQWCTGV-UXUKBGGZSA-N 291.347 1.220 0 50 CDAA Nc1nccnc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253623461 VMBIXVXCYMICSJ-TUAOUCFPSA-N 290.367 1.215 0 50 CDAA N=C(O)[C@@]1(O)CCCN(C(=O)CCc2ccoc2)C1 330551609 CRVHKSJUQKACEN-CYBMUJFWSA-N 266.297 1.101 0 50 CDAA O=C(CCc1cccs1)N1CCN([C@@H]2CCOC2)CC1 363542853 ANEGTCKRAIIOMU-CYBMUJFWSA-N 294.420 1.614 0 50 CDAA CCOc1cccc(C(=O)N[C@@H](CO)c2ccnn2C)c1 458176732 XQQAAKUAWMNJIK-ZDUSSCGKSA-N 289.335 1.282 0 50 CDAA COc1ccc(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(O)c1 333795659 FERCGYDNVOYNNG-AYRXBEOTSA-N 287.315 1.426 0 50 CDAA CC1CCN(C(=O)CS(=O)(=O)c2cccnc2)CC1 1364619359 BGKGXSSOTULGQE-UHFFFAOYSA-N 282.365 1.114 0 50 CDAA COc1csc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1 128863341 WFQIWBUFIWVTPV-IUCAKERBSA-N 254.355 1.579 0 50 CDAA CC1(C)CN(CCN[C@H]2CCCc3n[nH]cc32)CCO1 367584734 BMQQAEODJUMGLH-ZDUSSCGKSA-N 278.400 1.488 0 50 CDAA Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2CN)cc1F 237655443 HTMJYCBTGPHFEK-SECBINFHSA-N 290.335 1.385 0 50 CDAA c1ccc2c(c1)CON(c1nccn3cnnc13)C2 367936820 ZWWSLWTVWQVDGG-UHFFFAOYSA-N 253.265 1.576 0 50 CDAA O=C([C@@H]1Cc2ccccc2O1)N1CCOCC12CC2 334339583 BOXMTPAKKQDSBN-ZDUSSCGKSA-N 259.305 1.382 0 50 CDAA C[C@]1(C(=O)N2CC(c3ccccn3)C2)CCCCO1 72173711 ZVYRXUKIGUKQFJ-OAHLLOKOSA-N 260.337 1.967 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)c1coc2ccccc12 129404434 OEQNWJHPHIEEAK-JTQLQIEISA-N 289.287 1.749 0 50 CDAA Nc1ncccc1CN1CCOc2ccc(CO)cc2C1 216396561 IJPIONFHLIVNBE-UHFFFAOYSA-N 285.347 1.551 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCOC2)o1 132705314 IMVQBTSSEQMKEU-QMMMGPOBSA-N 253.254 1.134 0 50 CDAA C[C@@H]1C[C@H]1N1C[C@H](Nc2ncnc(N)c2Cl)CC1=O 372967594 OASGNRZBMIGLEO-BWZBUEFSSA-N 281.747 1.133 0 50 CDAA NC(=O)[C@]1(O)CCCN(c2ccc3ccc(F)cc3n2)C1 284475863 BLCWPXXNARWTGZ-HNNXBMFYSA-N 289.310 1.191 0 50 CDAA O=C(CCCn1cncn1)N1CCC[C@H]1c1ccccn1 72408644 BQGXJIZVTZCVAB-AWEZNQCLSA-N 285.351 1.817 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)C2(Oc3ccccc3)CC2)C1 263226741 QBTXHVIHOPBPSM-HNNXBMFYSA-N 289.331 1.921 0 50 CDAA COc1cc(C)c(C(=O)N2CC[C@H](CN)C2)cc1OC 178573306 CQOOOVPGEPEKAU-LLVKDONJSA-N 278.352 1.433 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)CCn3ccnc3C)C2)n1 220032354 UAXKKHIZTVWLMS-UHFFFAOYSA-N 287.367 1.478 0 50 CDAA O=C(O)c1cccc(C(=O)NCc2noc(C3CC3)n2)c1 263452329 SVKRWFCMCALESP-UHFFFAOYSA-N 287.275 1.575 0 50 CDAA CO[C@@H]1COCC[C@H]1NC1CCC2(CCNCC2)CC1 222375738 BHTHSAHOHLYWEQ-HUUCEWRRSA-N 282.428 1.692 0 50 CDAA Cc1nccc(NC(c2nccn2C)c2nccn2C)n1 528129612 JJUFFXXVURDEED-UHFFFAOYSA-N 283.339 1.454 0 50 CDAA O=C(C[C@H]1CCCOC1)NCCCOc1cccnc1 426383109 IYLHHPQYIITNGJ-CYBMUJFWSA-N 278.352 1.783 0 50 CDAA CCc1ccc(C(=O)NCCCN2CCC[C@@H](O)C2)[nH]1 426552093 YJOXHRITSKYNQO-CYBMUJFWSA-N 279.384 1.154 0 50 CDAA O=C(NCCCOC1CCCCC1)c1cc[nH]n1 48030971 CHFFFFONFQEZLG-UHFFFAOYSA-N 251.330 1.879 0 50 CDAA CNCc1nnc(SCc2nc(C)sc2C)n1C 426634362 XQYUTOUUHWOWRQ-UHFFFAOYSA-N 283.426 1.900 0 50 CDAA Cc1cc(F)cc(C)c1C(=O)NC[C@H]1CCCS1(=O)=O 612524392 VQUXSZLDKHWNBX-GFCCVEGCSA-N 299.367 1.750 0 50 CDAA Cc1cccc(C)c1N1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 222347989 LZFKGFXHFPNEEJ-NDBYEHHHSA-N 269.300 1.746 0 50 CDAA O=C(NCCCc1ncc[nH]1)[C@H]1CCC[C@@H](O)C1 220689064 YBZRXSLXSAQCKS-WDEREUQCSA-N 251.330 1.010 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccs2)C1 426578903 ZSLBKYLKWUQYGT-MRVPVSSYSA-N 291.332 1.685 0 50 CDAA CO[C@@H]1CCC[C@@H]1CNC(=O)CCn1ccnc1 332321161 MDYFYEGNCXLXJA-VXGBXAGGSA-N 251.330 1.205 0 50 CDAA CN(c1ccccc1Br)S(C)(=O)=O 95802917 ANEOQJILAXCBEN-UHFFFAOYSA-N 264.144 1.845 0 50 CDAA O=C(Nc1ccc(NC(=O)[C@H]2CCNC2)cc1)NC1CC1 237923281 LGQCMSBYPHEACN-JTQLQIEISA-N 288.351 1.519 0 50 CDAA CC[C@H](O)Cn1ncnc1-c1cccnc1SC 91713111 ZJPYJMSCKWIWRW-VIFPVBQESA-N 264.354 1.833 0 50 CDAA Cc1cnc(CN2C[C@H](C3CC3)[C@@H](N(C)C)C2)cn1 91663995 PGWKLORTQLGPHQ-CABCVRRESA-N 260.385 1.557 0 50 CDAA CC(C)N1CC[C@H](Cn2ncn3cccc3c2=O)C1 95385978 IVOSMTSUDGDJDD-LBPRGKRZSA-N 260.341 1.226 0 50 CDAA COCCn1ccnc1[C@H]1CCCN(c2cccnn2)C1 91915435 YMBBWAZUYUTZNN-ZDUSSCGKSA-N 287.367 1.704 0 50 CDAA CCc1nc(C)cc(N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)n1 621336025 HSEACECLFOFWFR-CMPLNLGQSA-N 288.355 1.084 0 50 CDAA CC(C)CNC(=O)[C@@H](C)N(C)Cc1ccc2nonc2c1 244641228 GLRKDMCPNCSGNO-LLVKDONJSA-N 290.367 1.815 0 50 CDAA COc1ccnc(C(=O)NC[C@@H]2CC(=O)N(C(C)C)C2)c1 244763885 OXCDYOZPCGQRNJ-NSHDSACASA-N 291.351 1.077 0 50 CDAA O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 247446423 YOQALDVKHNGWCA-PGKPSXLWSA-N 299.326 1.496 0 50 CDAA Cc1n[nH]c(=NCC2(N3CCN(C)CC3)CCCC2)s1 534671604 RODYZZOZGHTNTG-UHFFFAOYSA-N 295.456 1.241 0 50 CDAA CCCc1ncncc1C(=O)NCC[C@H]1CCOC1 534581697 JTSAPPNRNSMMQI-NSHDSACASA-N 263.341 1.586 0 50 CDAA Cc1n[nH]c(=N[C@@H]2CC(=O)N(Cc3ccccc3)C2)s1 369593047 TUWRYYBZVUHWSI-GFCCVEGCSA-N 288.376 1.481 0 50 CDAA C[C@H](NC(=O)CNC(=O)N(C)C)c1nc2ccccc2[nH]1 299799770 ZXULHTULJUUGEQ-VIFPVBQESA-N 289.339 1.011 0 50 CDAA CN(CCN1CCCC1)C(=O)COC[C@@H]1CCCCO1 584893112 WUCOBWOZHQKJSD-AWEZNQCLSA-N 284.400 1.126 0 50 CDAA c1ccn2c(CCCN[C@@H]3CCSC3)nnc2c1 584896454 MFFUJHYXXWQXIH-LLVKDONJSA-N 262.382 1.757 0 50 CDAA O=C1CCc2c1cccc2C(=O)N1CC[C@@H](CO)C1 584886086 MJJWSTKSACFYKE-SNVBAGLBSA-N 259.305 1.270 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)CCCn1cccn1 670462499 VFOUKEMHRMBKLP-LBPRGKRZSA-N 290.371 1.713 0 50 CDAA O=C1C[C@H](NCCCNC(=O)c2cccs2)CCCN1 585134820 KTWCFVLQDHHNHM-LLVKDONJSA-N 295.408 1.126 0 50 CDAA Cc1nc2c([nH]1)CN(Cc1noc([C@H]3CCCO3)n1)CC2 670450039 BJNBOBVIGSQASY-GFCCVEGCSA-N 289.339 1.511 0 50 CDAA COCc1noc(CN(C)Cc2noc(C3CCC3)n2)n1 670474094 GKZYLBRGLJUDAA-UHFFFAOYSA-N 293.327 1.499 0 50 CDAA O=C(COc1ccc(F)cc1Cl)NC1(C(=O)O)CC1 131655571 BKXGEHJWSTVJGU-UHFFFAOYSA-N 287.674 1.591 0 50 CDAA O=C([C@H]1CC=CCC1)N1CCC(O)(CN2CCCC2)CC1 670461634 RGQHAFBEQSLTBX-HNNXBMFYSA-N 292.423 1.792 0 50 CDAA O=C(N[C@]12CCC[C@@H]1NCC2)c1cccc2c1COCC2 1550116446 TZOWTERFPFFLQF-RDJZCZTQSA-N 286.375 1.774 0 50 CDAA CCC[C@H]1CN(Cc2cncn2CCOC)C[C@@H]1C(=O)O 1565513989 UEVZJOKPKGALBJ-JSGCOSHPSA-N 295.383 1.462 0 50 CDAA Cc1noc2ncnc(N3CC[C@@H](c4cnccn4)C3)c12 1559288211 UCCOWUOHLSMIAM-SNVBAGLBSA-N 282.307 1.710 0 50 CDAA Cc1nc2cc(F)c(F)cc2n1CC(=O)NC1CC1 279729010 VSKSIJCINQSXQT-UHFFFAOYSA-N 265.263 1.902 0 50 CDAA C[C@H]1CN(c2nc3c(F)cccc3o2)C[C@H](CO)O1 408356708 RONROFPWEBPNTE-DTWKUNHWSA-N 266.272 1.553 0 50 CDAA O=S1(=O)CC[C@H](c2nnc3n2CCCCCC3)C1 630951301 KFWSBKRUGQJXFI-JTQLQIEISA-N 269.370 1.297 0 50 CDAA CCc1ncnc(N2CCC(CC(=O)N(C)C)CC2)c1F 273034338 VIDGRCAGABLRNY-UHFFFAOYSA-N 294.374 1.873 0 50 CDAA CN(CCC1CC1)C(=O)c1cn(C)nc1[C@H]1CCOC1 275394016 AJXZQYSDNALCJB-LBPRGKRZSA-N 277.368 1.796 0 50 CDAA O=C([C@H]1CCCOC1)N(C[C@@H]1CCCN1)C1CC1 186557157 HSMILXNQRHXVER-RYUDHWBXSA-N 252.358 1.156 0 50 CDAA CN(C)CCNC(=O)NCc1ccc2c(n1)CCCC2 278393774 NAUPSKDAMVVBHN-UHFFFAOYSA-N 276.384 1.321 0 50 CDAA Cc1cc2c(N3CCC[C@H]3C(C)(C)O)nccn2n1 302290248 KZGBVKZHGGZGFC-LBPRGKRZSA-N 260.341 1.777 0 50 CDAA Cc1nc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)c[nH]1 170601518 LQSWVJKFVZKUPJ-JTQLQIEISA-N 287.319 1.580 0 50 CDAA CCCO[C@H]1CCCN(C(=O)CN2CCCOC2=O)CC1 170657096 UIIZKCPLNXCWBA-ZDUSSCGKSA-N 298.383 1.636 0 50 CDAA CCCn1cc(NC(=O)N[C@H]2CCCC[C@@H]2O)cn1 189039191 AUJLOEIGKVNSCO-RYUDHWBXSA-N 266.345 1.718 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCNCC1 642882987 FXRNKKSCMVBHNY-OKILXGFUSA-N 295.427 1.822 0 50 CDAA COCc1cc(N2CCCC[C@@H]2c2nc(O)n[nH]2)ncn1 565667549 MFZFRADTFRPPOQ-SNVBAGLBSA-N 290.327 1.178 0 50 CDAA NCCc1n[nH]c(=O)n1-c1cccc2ccccc12 65509141 WCIPAWLMTACQLZ-UHFFFAOYSA-N 254.293 1.215 0 50 CDAA C[C@H](NC(=O)[C@H](C(=O)O)C1CCCC1)C1CCN(C)CC1 663113147 GPTFUNQYNNLDSI-SMDDNHRTSA-N 296.411 1.724 0 50 CDAA Cc1ccc(SCC(=O)NC2CCCC2)nn1 585118549 SYQKPXONNMYCCU-UHFFFAOYSA-N 251.355 1.936 0 50 CDAA C=CC(=O)NCCNC(=O)[C@H]1CCCN1c1ccccc1 787340604 IPQHULBNGQBHGA-CQSZACIVSA-N 287.363 1.074 0 50 CDAA Cc1ccc(CN2CCC[C@](O)(c3cnn[nH]3)C2)cc1 794009787 OKVMSJKCBFMIQW-OAHLLOKOSA-N 272.352 1.597 0 50 CDAA CCc1nc(C)c(C(=O)N[C@@](C)(CO)C2CC2)o1 1545747652 LDHSUEHFTGYSEU-ZDUSSCGKSA-N 252.314 1.436 0 50 CDAA C[C@H]1COC[C@@H](C)N1C(=O)c1cccc(C(=O)O)c1 237635450 LVNHSFPREQHIKR-AOOOYVTPSA-N 263.293 1.634 0 50 CDAA C[C@@]1(CO)CCCN(C[C@@H](O)c2ccccc2F)C1 221675239 FVZGOQRBGOLCDC-HUUCEWRRSA-N 267.344 1.954 0 50 CDAA CCc1nn(C)c(NC(=O)c2ccc(=O)n(C)c2)c1C 1529100395 RCOQPMGADFFPGR-UHFFFAOYSA-N 274.324 1.242 0 50 CDAA Cc1cc(C(=O)O)nc(N(C)CCN(C)C2CCCC2)n1 1529187715 YCHXCNITVLLXSP-UHFFFAOYSA-N 292.383 1.794 0 50 CDAA COCCn1cnnc1[C@@H](C)N=c1cc[nH]cc1F 1529195334 JZJJHHDDQGABEB-SECBINFHSA-N 265.292 1.054 0 50 CDAA O=C(O)[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 238005665 GXFJEMCAAHTNPV-AGIUHOORSA-N 259.305 1.975 0 50 CDAA CN(C)c1nccnc1N[C@H]1CCCN(C(=O)C2CC2)C1 1704340095 UFLLQBYUNIXHGS-LBPRGKRZSA-N 289.383 1.356 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](N2CCCC2)C1 227276858 FEWCJAQIIVSGDM-BFHYXJOUSA-N 265.401 1.201 0 50 CDAA COc1ccc(CCNC(=O)N2CCC[C@@H]2CO)cc1 118563755 RGYTZWUOVJJXQN-CYBMUJFWSA-N 278.352 1.404 0 50 CDAA Cn1ncc2c(O)nc(C=Cc3cncs3)nc21 1857527799 PNLJUJWPBKAINQ-UHFFFAOYSA-N 259.294 1.696 0 50 CDAA CCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 4809291 COWMPYQZYVOHGB-UHFFFAOYSA-N 270.354 1.588 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(C(=O)C2CCC(F)(F)CC2)C1 335917539 RWRUWIHDBCTWMH-UWVGGRQHSA-N 290.310 1.963 0 50 CDAA CN(CC[C@@H]1COCCO1)Cc1n[nH]c2c1CCCC2 1775979778 PDQQHQFZIBGEKO-GFCCVEGCSA-N 279.384 1.526 0 50 CDAA CCCN1C[C@@H](Nc2ncc(C(C)=O)c(C)n2)CC1=O 1772706979 VPTLFHJNAWFBBT-NSHDSACASA-N 276.340 1.410 0 50 CDAA Cc1noc(CN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)n1 1775981012 FZWFYUXRRRJQLH-LBPRGKRZSA-N 280.372 1.457 0 50 CDAA c1[nH]nc2c1CC[C@@]21CCCN(C2CCOCC2)C1 1775983469 YKKINUOGGLMJOD-OAHLLOKOSA-N 261.369 1.869 0 50 CDAA COc1ccccc1O[C@H](C)C(=O)NC1CCN(C)CC1 12380628 NGJKADAQUYRZHE-GFCCVEGCSA-N 292.379 1.673 0 50 CDAA CN1CCN([C@@H]2CCc3ccccc3C2)CCC1=O 15001435 UTWWNULLMWJFNU-OAHLLOKOSA-N 258.365 1.708 0 50 CDAA CNC(=O)c1ccc(CN2CC[C@@H]3NCCC[C@@H]3C2)o1 1857728505 DUSCEDZWCFMELZ-YPMHNXCESA-N 277.368 1.213 0 50 CDAA O=C1C[C@H]2CN(CCCCOCc3ccccc3)C[C@H]2N1 1857685672 OVAPKTAUFSXUAI-JKSUJKDBSA-N 288.391 1.804 0 50 CDAA CCCc1nc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)co1 335100985 URIHIJVIDMPQLL-WCQYABFASA-N 277.368 1.793 0 50 CDAA C[C@H](O)[C@@H]1CCN(Cc2ncnn2C(C)(C)C)C1 407982549 HUUWARSNELCHGV-WDEREUQCSA-N 252.362 1.236 0 50 CDAA Cc1noc([C@@H](Nc2ncccn2)C2CCOCC2)n1 328609492 DMFFAALXADIGEO-NSHDSACASA-N 275.312 1.748 0 50 CDAA O=C(O)c1cccc2c1CCN(C(=O)[C@H]1CCCOC1)C2 123868866 YZFRKBZFZYIGGJ-LBPRGKRZSA-N 289.331 1.696 0 50 CDAA O=C(COC1CCCC1)N1CCC[C@H](c2nc(O)n[nH]2)C1 334051421 SBYCMCCHOQSZRJ-JTQLQIEISA-N 294.355 1.176 0 50 CDAA CC[C@@H](C)OCC(=O)N1CCN(Cc2cc(C)no2)CC1 153104711 MCCWHJFMOMTOMU-CYBMUJFWSA-N 295.383 1.442 0 50 CDAA C[C@H](Cc1ccccc1)C(=O)N1CCN(C)C(=O)C1(C)C 154108267 ZUUOGNJNRXAYQT-CYBMUJFWSA-N 288.391 1.944 0 50 CDAA C[C@H](NCc1ncnn1C)[C@@H](c1ccccc1)N(C)C 585117758 VVLIFFBBSFKVTK-WFASDCNBSA-N 273.384 1.596 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cc(F)cc(Cl)c1)C2 1704337655 XONBERPZYPCDHZ-MFKMUULPSA-N 298.745 1.426 0 50 CDAA O=C(c1ccc(OC(F)F)nc1)N1CCC[C@@H]2COC[C@@H]21 822472280 BMFHUCOYYBYQPB-MNOVXSKESA-N 298.289 1.934 0 50 CDAA Cc1ccccc1[C@H](C)C(=O)NCC(=O)N1CCCO1 823407471 KAZHUFCCQNOXDC-LBPRGKRZSA-N 276.336 1.379 0 50 CDAA Cc1occc(=O)c1OCC(=O)N1CC[C@@H](OC(C)C)C1 823417971 UGXKGNDMQBBDFR-GFCCVEGCSA-N 295.335 1.353 0 50 CDAA C[C@@H]1c2ccccc2CN1C(=O)C[C@H]1CCC(=O)N1 829477448 NDLADRQCULMPBC-ZYHUDNBSSA-N 258.321 1.759 0 50 CDAA CCn1nc(C)c(CN2CCC[C@H]2c2ccnn2C)n1 932260386 IVRKDFIVOLDKON-AWEZNQCLSA-N 274.372 1.677 0 50 CDAA COC1([C@H](C)NC(=O)Cc2cn(C)nc2Cl)CCC1 839876948 HYRXRVWCGBKNOK-VIFPVBQESA-N 285.775 1.690 0 50 CDAA CCS(=O)(=O)N1CCN([C@@H]2CCC[C@@H](C)C2)CC1 19850706 DSKJNSAMSJTGHR-CHWSQXEVSA-N 274.430 1.532 0 50 CDAA O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)O[C@H]1CNOC1 864094561 XYXRTXBUHXCGTP-YIZRAAEISA-N 282.262 1.737 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC(F)(F)C3)n[nH]c21 1875293334 MOKXANZHEWYVIS-SFYZADRCSA-N 285.294 1.913 0 50 CDAA c1nc(C2CC2)oc1CN=c1[nH]nc2n1CCCC2 1875284179 PMYGMQRQNMXDKB-UHFFFAOYSA-N 259.313 1.514 0 50 CDAA Cc1nscc1NS(=O)(=O)c1cc(C2CC2)nn1C 1875280974 JFAIAPIRBHMQAC-UHFFFAOYSA-N 298.393 1.863 0 50 CDAA Cc1cc(Cl)ccc1CC(=O)N[C@@H]1CCNC(=O)CC1 1875318462 QWUPEFCXGOEJKO-ZDUSSCGKSA-N 294.782 1.976 0 50 CDAA O=C([C@@H]1CNC[C@H]1Cc1ccccc1)N1Cc2c[nH]nc2C1 1875315004 DRWFXFQHEVOTHV-UKRRQHHQSA-N 296.374 1.330 0 50 CDAA NC(=O)c1ccnc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 1875336803 MWPMAJATUMINOX-CQSZACIVSA-N 295.342 1.810 0 50 CDAA CN(C)C/C=C/C(=O)NCC1CC(n2ccnc2)C1 1875379274 PCLLLODBXZMSKT-ONEGZZNKSA-N 262.357 1.068 0 50 CDAA CCOc1cc(N2CCC[C@H]2c2ccc(N)nn2)ncn1 886086747 ZNYIPTWJHVXREE-NSHDSACASA-N 286.339 1.589 0 50 CDAA CC[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1C[C@H]1c1ccco1 886501123 XUHUTTFCFOEJSF-IJLUTSLNSA-N 276.336 1.510 0 50 CDAA Cc1cc(Cl)ccc1OC[C@H](O)CN1CCOCC1 19781797 GLLNYEHBJPYPJX-CYBMUJFWSA-N 285.771 1.720 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NCc1ccc(-c2nc[nH]n2)cc1 1775992661 MEOCEQQHKHSNKJ-BXKDBHETSA-N 256.309 1.744 0 50 CDAA C=CC(=O)N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1 1776004349 JUCYUOJQPLMRHN-JTQLQIEISA-N 258.281 1.096 0 50 CDAA CC(=O)N(C)Cc1cn(Cc2ccc(F)cc2F)nn1 899727982 POVDVRZLMWCJFE-UHFFFAOYSA-N 280.278 1.583 0 50 CDAA O=C(c1cc(C2CC2)on1)N1[C@H]2CCNC[C@H]1CC2 252536282 IBJRMMKJXJNIHO-GHMZBOCLSA-N 261.325 1.519 0 50 CDAA C[C@@H](O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 154835390 JFXURQXWEAXIPS-CZUORRHYSA-N 276.380 1.538 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)[C@H]1CCCOC1 263520822 QWWRJEXQIPKCLB-MXWKQRLJSA-N 255.314 1.125 0 50 CDAA O=C(c1ccc(Cl)cn1)N1CCC(F)(F)[C@H](CO)C1 291348626 WBZXPTHFPKJSPJ-QMMMGPOBSA-N 290.697 1.825 0 50 CDAA CNc1ccnc(N2CCO[C@@H](C(F)(F)F)C2)n1 71759979 QWMOWQASFYFWJR-SSDOTTSWSA-N 262.235 1.286 0 50 CDAA COc1ncc(Cl)c(N2C[C@H](C)C[C@@H](O)C2)n1 401545121 PBNDOYMCZNVNGA-HTQZYQBOSA-N 257.721 1.346 0 50 CDAA Oc1cccc([C@H]2CN(CC3(O)CCC3)CCO2)c1 407951117 QFGFJPAVBJRBSE-CQSZACIVSA-N 263.337 1.681 0 50 CDAA Cc1nc[nH]c1CNC(=O)C1(C)CCN(C)CC1 426503123 INQBRICGLCLORA-UHFFFAOYSA-N 250.346 1.066 0 50 CDAA O=C(O)c1ccc(C(=O)NCC[C@H]2CCCOC2)cc1 630229279 NLRANNDWDYJBCK-LLVKDONJSA-N 277.320 1.931 0 50 CDAA COCCOc1ccc(-c2nc(COC)n(C)n2)cc1 2100557434 SJIWVLVDWPZBRR-UHFFFAOYSA-N 277.324 1.654 0 50 CDAA CN[C@@H](C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 2325871271 FWNFCEYGFIJIOD-JTQLQIEISA-N 292.360 1.253 0 50 CDAA CN(C[C@@H](O)CN)C[C@H](O)c1ccc(Cl)cc1Cl 923365842 GXBNYRLBQDQCML-CABZTGNLSA-N 293.194 1.278 0 50 CDAA S=C1N(CN2CCCCC2)CCN1CN1CCCCC1 27631 CCMPHOBVVMUPII-UHFFFAOYSA-N 296.484 1.776 0 50 CDAA Cc1nn([C@H](CC(=O)O)C(=O)O)c(C)c1Br 185058 BOSYIMSPNWXYOX-ZCFIWIBFSA-N 291.101 1.363 0 50 CDAA COc1ccc([C@H](O)CN(O)C(C)C)cc1OC 395704 URIWGOHCYVFXHA-LLVKDONJSA-N 255.314 1.837 0 50 CDAA Cc1cc(C)cc(NC(=O)C[C@@H]2SCCNC2=O)c1 2341169 GFWXKCHMDVFJOY-LBPRGKRZSA-N 278.377 1.864 0 50 CDAA NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCO2 4841279 UXDWQCQDKSONTG-UHFFFAOYSA-N 298.298 1.809 0 50 CDAA Cc1ccnc2nc(NC(=O)c3ccccc3F)nn12 6703933 LSDNTYZRARWKTJ-UHFFFAOYSA-N 271.255 1.824 0 50 CDAA CCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621189 LEYBRBHHXZQVQP-UHFFFAOYSA-N 286.331 1.793 0 50 CDAA biogenic CCO[C@H]1COC[C@@H]1NC(=O)CCc1scnc1C 65503191 JJZKXQFZPRFDJJ-QWRGUYRKSA-N 284.381 1.304 0 50 CDAA CCOC(=O)c1c[nH]c2c(OC)c(F)c(F)cc2c1=O 115919449 BTNNGHWPJTUTPP-UHFFFAOYSA-N 283.230 1.992 0 50 CDAA COCCN(C)C(=O)c1cnn(Cc2ccccc2)c1 65407443 FBNWIECASIFUAR-UHFFFAOYSA-N 273.336 1.650 0 50 CDAA O=S(=O)(Cc1ccn(C2CCCC2)n1)c1nc[nH]n1 357613651 ZAAYMFMAIGXNLD-UHFFFAOYSA-N 281.341 1.090 0 50 CDAA Cc1cc(C)n(C[C@@H](C)n2cc(-c3nccn3C)nn2)n1 67649430 IHUDBUQRPTZRAD-GFCCVEGCSA-N 285.355 1.753 0 50 CDAA Cc1cc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)on1 229381182 KYYLVJDSPNMFLV-PWSUYJOCSA-N 265.357 1.833 0 50 CDAA COC1(CC(=O)NCC2(CO)CCCC2)CCC1 234594565 DJFRPQQJCBABFK-UHFFFAOYSA-N 255.358 1.615 0 50 CDAA O=C([C@H]1CCOC1)N1CCCN(Cc2cccs2)CC1 66916685 KJBXEBOQCPYLSJ-ZDUSSCGKSA-N 294.420 1.819 0 50 CDAA C[C@H](c1cccnc1)N1CCO[C@@H](CNc2cccnn2)C1 229916625 YVSVLCYLHJZVPM-HIFRSBDPSA-N 299.378 1.746 0 50 CDAA C[C@H]1CN(c2nc(C3CC3)ns2)C[C@@H](CO)O1 230004500 WLRLTQRFOMMCQE-CBAPKCEASA-N 255.343 1.002 0 50 CDAA Cc1ccc(NC(=O)CNC(=O)C(C)C)c(F)c1 67621661 GIZYKUKCAGGQJR-UHFFFAOYSA-N 252.289 1.845 0 50 CDAA O=C(NCCOc1ccc(Cl)cn1)C(F)F 252489798 KASOPQWKMPXCFO-UHFFFAOYSA-N 250.632 1.495 0 50 CDAA CC(=O)c1ccc(C(=O)NCc2ccon2)s1 32565190 BZENBDIXINHGJY-UHFFFAOYSA-N 250.279 1.869 0 50 CDAA C[C@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccn(C)n1 231911921 OLAPKVUHPQQQNN-JTQLQIEISA-N 284.319 1.403 0 50 CDAA C[C@H](NC(=O)c1cc2sccc2[nH]1)c1nc(=O)[nH][nH]1 215068192 VUTGRNJQBIEQGM-YFKPBYRVSA-N 277.309 1.132 0 50 CDAA CN1CCC[C@H](C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 215431377 MGBCUHGBNCDBFB-ZDUSSCGKSA-N 299.378 1.430 0 50 CDAA CN(CCC(N)=O)C(=O)c1cccc(CCC(C)(C)O)c1 72477996 PSSSXHKDECVPPO-UHFFFAOYSA-N 292.379 1.338 0 50 CDAA CC(=O)C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C 331262488 DKANZHARLPTVLG-DGCLKSJQSA-N 296.411 1.897 0 50 CDAA CCn1ncnc1-c1nccn1CCn1ccnc1 71760913 NNZQCKBUWUAEFJ-UHFFFAOYSA-N 257.301 1.058 0 50 CDAA CCOc1ccc([C@H](O)C2CCN(C(=O)CO)CC2)cc1 368338487 VENNIDGMHLOEKP-INIZCTEOSA-N 293.363 1.350 0 50 CDAA N[C@H](C(=O)N[C@H]1CCOc2c(F)cccc21)C1CCC1 333285711 NFUOQZYUNPCFST-STQMWFEESA-N 278.327 1.893 0 50 CDAA Cc1cnc(CN(C)Cc2ccc(N(C)C)nc2)[nH]1 215098449 XTQGZKZAKRUVHK-UHFFFAOYSA-N 259.357 1.811 0 50 CDAA Cn1ncc2c(N3CC[C@@H](O)c4ccccc4C3)ncnc21 369285515 XCSWMWUSVJHIQO-CQSZACIVSA-N 295.346 1.807 0 50 CDAA Cc1nc[nH]c1CC(=O)NCCN1CCCC1(C)C 457055458 MQEKACPWSPSXDC-UHFFFAOYSA-N 264.373 1.251 0 50 CDAA C[C@H](Cc1ccccc1F)C(=O)N1CCO[C@H](C(=O)O)C1 237558512 VTUSXGDRGLLYHN-MFKMUULPSA-N 295.310 1.316 0 50 CDAA C[C@@H](CNC(=O)c1cccc2c1ccn2C)C(=O)O 237620500 UQMQRWHVYIFEAH-VIFPVBQESA-N 260.293 1.629 0 50 CDAA CN1CCO[C@@H](C(=O)N2CCC=C(c3ccncc3)C2)C1 286133735 DGLVRYGRADBZNW-OAHLLOKOSA-N 287.363 1.028 0 50 CDAA COc1ccccc1/C=C/C(=O)N1CCC[C@H](N)C1 158065937 SFSGOQSQXXIKQZ-XEHSLEBBSA-N 260.337 1.658 0 50 CDAA Cc1cnc(CNc2ccc(N3CCOCC3)nc2)n1C 341285896 PCBYXDAURKMQAZ-UHFFFAOYSA-N 287.367 1.572 0 50 CDAA COc1nc(CN2CC[C@@H](C(N)=O)C2)c(C)cc1C 606443552 CKSXUMRSPPSHIH-LLVKDONJSA-N 263.341 1.014 0 50 CDAA O=C(O)c1ccnc(-c2ccnc(-c3ccc[nH]c3=O)n2)c1 71749978 FGBOEWFOGYUBBN-UHFFFAOYSA-N 294.270 1.592 0 50 CDAA CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)O 263202809 KEXGUIXBTYGXLD-NWDGAFQWSA-N 269.341 1.800 0 50 CDAA CN(C)CCCNC(=O)N(C)Cc1cc(C2CC2)n[nH]1 426387059 IJHAUDNZSSDXLL-UHFFFAOYSA-N 279.388 1.380 0 50 CDAA Cc1n[nH]c(C)c1CN1CCCC[C@H]1CN1CCOCC1 130987412 HUEXYBZDXMJZEI-HNNXBMFYSA-N 292.427 1.713 0 50 CDAA O=C(NCc1ccccc1-n1ccnc1)[C@H]1CCCCN1 423762875 QLOJXCOQOSILBN-CQSZACIVSA-N 284.363 1.631 0 50 CDAA CN(Cc1cnccn1)c1cc(C2CC(O)C2)ncn1 223051688 JOJCIWFVVYEBSP-UHFFFAOYSA-N 271.324 1.141 0 50 CDAA CCc1noc2ncc(C(=O)N3CC[C@H](CNC)C3)cc12 178966573 NUKBOCHCRKFVFO-SNVBAGLBSA-N 288.351 1.467 0 50 CDAA COCC1(NC(=O)[C@H](C)c2cncnc2)CCCC1 617189784 PJKWAQCESKCTOI-LLVKDONJSA-N 263.341 1.656 0 50 CDAA O=C(Nc1ccc(F)nc1)N1CCCC[C@H]1CO 95531249 KTQBQGMJUKBZSP-JTQLQIEISA-N 253.277 1.599 0 50 CDAA CCCn1cc(NC(=O)N2CCSCC2)nn1 95498548 VSVNPHWMCJCANK-UHFFFAOYSA-N 255.347 1.269 0 50 CDAA O=c1nc([C@H]2CCCCN2Cc2ncc(C3CC3)o2)[nH][nH]1 295273917 JWZNHZXQAAYRPY-SNVBAGLBSA-N 289.339 1.691 0 50 CDAA COc1ccc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3)c(F)c1 97674054 SZSLYSMIYZJFKT-OLZOCXBDSA-N 292.354 1.935 0 50 CDAA Cn1nnc(CN2CCC(F)(c3ccccn3)CC2)n1 295291488 JKFXYHKNESPBTQ-UHFFFAOYSA-N 276.319 1.066 0 50 CDAA Cc1cnc(N)nc1NCCCN1CCC[C@@H](C)C1 91616656 XNIZGCGQTHJELH-LLVKDONJSA-N 263.389 1.901 0 50 CDAA CNC(=O)c1cccnc1N1C[C@H](C2CC2)[C@@H](N(C)C)C1 91595925 RPOSDSVXSXZHGA-KGLIPLIRSA-N 288.395 1.218 0 50 CDAA CCN1CCC(CC(=O)N[C@H](C)c2nncn2C)CC1 95358888 HPYXYDVZPKVCAL-LLVKDONJSA-N 279.388 1.114 0 50 CDAA Cc1nn(C)c2nc(N(C)C[C@@H]3COCCO3)sc12 95510012 RIYFMJPMLQPUBM-SECBINFHSA-N 282.369 1.190 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)COCCc1ccccc1 237594401 ZIHABSPMLUEKIT-DZGCQCFKSA-N 276.380 1.584 0 50 CDAA O=C(c1nc2ccccn2c1F)N1C[C@@H]2CCCN[C@@H]2C1 91745527 GNEOYYSMOHXWAI-WDEREUQCSA-N 288.326 1.297 0 50 CDAA CCc1nc(CN(CC)C[C@H](O)c2cccc(O)c2)n[nH]1 244763830 OWFBQSQMDDUPAB-ZDUSSCGKSA-N 290.367 1.628 0 50 CDAA Cc1ncccc1C(=O)NCCCOC1CCN(C)CC1 243902106 BGCLJFLRRZSFFK-UHFFFAOYSA-N 291.395 1.621 0 50 CDAA Cc1cccc(CNC(=O)CN2CCCN(C)CC2)c1 297775849 GJLBGTPWBKSWGA-UHFFFAOYSA-N 275.396 1.249 0 50 CDAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)O 299745939 UEQRJEIOZSWZMW-QJPTWQEYSA-N 285.340 1.036 0 50 CDAA O=C(CCCN1CCCC1=O)NCC1(CO)CCCC1 534577292 BZUMMUHCJSCHJC-UHFFFAOYSA-N 282.384 1.058 0 50 CDAA CC[C@H](CN(C)C)NC(=O)N1CC(Oc2ccccc2)C1 534588400 OBTLGJCKRGYYCW-CYBMUJFWSA-N 291.395 1.799 0 50 CDAA COc1ccc(Cl)cc1C(=O)N1CCOCC1 443985 NXCXZELLEVBSRN-UHFFFAOYSA-N 255.701 1.821 0 50 CDAA CCOc1cccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1 299794731 NKVGFBVPDSSMID-ITGUQSILSA-N 275.304 1.488 0 50 CDAA Cc1n[nH]nc1C(=O)N(C)C[C@@H]1Cc2ccccc2O1 299802666 MXFRFPAQRRFLLO-NSHDSACASA-N 272.308 1.189 0 50 CDAA Cc1nccn1[C@@H](C)CC(=O)NCCc1cnn(C)c1 299772745 BOELZBWEWNRESS-NSHDSACASA-N 275.356 1.235 0 50 CDAA COc1ccc(NC(=O)c2ccc[nH]2)cc1C(=O)N(C)C 824704438 MEIOLRBNKRUZKU-UHFFFAOYSA-N 287.319 1.977 0 50 CDAA Cc1ocnc1C(=O)NCCc1nncn1C(C)C 584898228 RBMIFTPXNBMPIH-UHFFFAOYSA-N 263.301 1.128 0 50 CDAA Cc1cc(C(N)=O)c(N2CCN(C(C)C)[C@@H](C)C2)nc1C 670456150 INXQZLFGRITBQQ-LBPRGKRZSA-N 290.411 1.716 0 50 CDAA CC[C@@H](NC(=O)c1cc2ncccn2n1)c1ncc(C)[nH]1 670433946 IYQYUWIHSIEPNW-SNVBAGLBSA-N 284.323 1.642 0 50 CDAA O=S(=O)(c1cc2ccccc2s1)N1CC[C@@H](CO)C1 670471671 GHRKGPBYRGDCDN-SNVBAGLBSA-N 297.401 1.904 0 50 CDAA CCCN1C[C@@H](NCc2cccc3nonc23)CC1=O 952978600 RCFRLRGYRSBTNQ-NSHDSACASA-N 274.324 1.323 0 50 CDAA C[C@@H]1OCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1CO 170084080 LDVJDIGOWUGOKO-WHOFXGATSA-N 275.348 1.530 0 50 CDAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2C[C@@H]2C2CC2)cn1 515343495 SSMBJOSUSTZXRJ-CBBWQLFWSA-N 289.379 1.895 0 50 CDAA Cc1ccc(NC(=O)CN(C)[C@@H](C)C[S@](C)=O)c(C)c1 170594532 NQZTZUVRWODVIE-RBZFPXEDSA-N 296.436 1.941 0 50 CDAA COc1ccc(C(=O)OCCN2CCOC[C@@H]2C)cc1 170616638 OBXVJRSOZMPAFR-LBPRGKRZSA-N 279.336 1.573 0 50 CDAA C[C@H](CNc1cc(=O)n2ccccc2n1)CN1CCCC1 170604156 PLVLQJHHBCBMKV-CYBMUJFWSA-N 286.379 1.838 0 50 CDAA COC[C@H]1CN(Cc2noc(C)n2)CC(C)(C)O1 408028896 GSVXZZLHVHXAGK-SNVBAGLBSA-N 255.318 1.004 0 50 CDAA COC[C@H]1CN(c2nccnc2-c2ccccc2)CCO1 408516827 NDWAYJPOFOGQNZ-CQSZACIVSA-N 285.347 1.995 0 50 CDAA O=C1CN([C@H](C(=O)O)C2CC2)Cc2ccccc2N1 635019058 SUZNNKAWASMLMF-ZDUSSCGKSA-N 260.293 1.304 0 50 CDAA C[C@H]1C(=O)NCCCN1Cc1noc(-c2ccsc2)n1 189341136 OPKSTCOVDPRCCX-VIFPVBQESA-N 292.364 1.509 0 50 CDAA C[C@@H](NC[C@H]1CCNC1)c1ccc2c(c1)CCC(=O)N2 643518863 WKERZDZQAOJDJJ-NEPJUHHUSA-N 273.380 1.831 0 50 CDAA CC/C=C/CCN1CCC[C@@](O)(CC(=O)NC)C1 643817694 ZQSHYGAXDMRTLJ-ISZGNANSSA-N 254.374 1.306 0 50 CDAA Cc1noc(C)c1C[C@H](C)NC(=O)c1cncnc1N 192354633 XPIRZMQTXHLQOG-ZETCQYMHSA-N 275.312 1.025 0 50 CDAA COc1cc(CNCC2OCCCO2)cc(OC)c1 716403868 DACTYVWPGRQYLR-UHFFFAOYSA-N 267.325 1.556 0 50 CDAA CS[C@H]1CCCCN(C(=O)c2cn3c(n2)COCC3)C1 599705529 YACZFJSDVXWZBA-NSHDSACASA-N 295.408 1.771 0 50 CDAA COC[C@H]1CCCN(Cc2nc(C3CC3)nn2C)C1 584347895 NFSYDTGRRALXQC-NSHDSACASA-N 264.373 1.551 0 50 CDAA CSC[C@@H](C)C(=O)N1CC(Cc2cnn(C)c2)C1 585131567 ZJKVFJKWWAWSBN-SNVBAGLBSA-N 267.398 1.420 0 50 CDAA C=CC(=O)N1CCS(=O)(=O)C[C@@H]1c1ccc(C)o1 585124859 WAJVYOULYLICFI-SNVBAGLBSA-N 269.322 1.072 0 50 CDAA C[C@H](OC(=O)c1cnnn1C)c1nc2ccccc2o1 798492106 WMDNNCZEMLBACV-QMMMGPOBSA-N 272.264 1.874 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCc3occc32)O1 222507352 NJGZDMCYNKYNOW-JLLWLGSASA-N 279.292 1.405 0 50 CDAA CN(C(=O)c1cn(C)cn1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529146961 SCFXOFVKFKXQQH-BKUVIOGVSA-N 263.341 1.042 0 50 CDAA O[C@H]1CN(CCCn2cccn2)C[C@H]1Cc1ccncc1 1529151252 IZVZGLOERQPQBV-CVEARBPZSA-N 286.379 1.204 0 50 CDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)[C@@H]1C 408451801 MQWCCZLZFIFTRP-WRWGMCAJSA-N 290.429 1.159 0 50 CDAA COC(=O)[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1N2 1800410720 ZNGMNDXOFYXYEM-UBHAPETDSA-N 252.339 1.369 0 50 CDAA CC(=O)NC[C@@H]1CN(c2c(F)cncc2Cl)CCO1 1857530103 UAQDBRCBQYPXDD-SECBINFHSA-N 287.722 1.215 0 50 CDAA Cc1noc(C)c1CNC(=O)[C@H]1CC2CCN1CC2 1857683348 VZCIIUPIXGALLN-CYBMUJFWSA-N 263.341 1.392 0 50 CDAA COc1nccc(I)c1C(=O)O 115106368 QHVXEBCTYMUDIY-UHFFFAOYSA-N 279.033 1.393 0 50 CDAA in-vitro Cc1nnccc1NC(=O)N1CC[C@@H](O)C(C)(C)C1 333101406 VHGLWTNFAYCNTH-LLVKDONJSA-N 264.329 1.410 0 50 CDAA C[C@@H]1CC2(CCNCC2)CN1C(=O)Cc1ccon1 335073953 SCGLUEHWLOXYGD-LLVKDONJSA-N 263.341 1.208 0 50 CDAA Cc1nc[nH]c(=NCCn2ccnc2C(C)C)c1F 1875271068 HGIKKQRTGWAQPQ-UHFFFAOYSA-N 263.320 1.778 0 50 CDAA COc1nc(NCCC(=O)NC2CCCCC2)ncc1F 1772700763 FAIDWHSNOOTLJE-UHFFFAOYSA-N 296.346 1.875 0 50 CDAA C[C@H]1CC[C@@H](C(=O)NCc2nc(C(=O)O)cs2)O1 157955665 VHQJSCYMUKXHDU-XPUUQOCRSA-N 270.310 1.025 0 50 CDAA OC[C@H](O)C1CCN(C2Cc3ccccc3C2)CC1 1772701055 BIMFHRFUCBOOJG-INIZCTEOSA-N 261.365 1.219 0 50 CDAA Cc1nnc(N2C[C@H]3COC[C@@H](C2)CN3C)c2ccccc12 1772702189 AKBBWWLIHGERHH-KGLIPLIRSA-N 298.390 1.705 0 50 CDAA CC(C)OC(=O)N1CCC(n2cc(C=O)cn2)CC1 33359029 GYPIPXRVTMDMGQ-UHFFFAOYSA-N 265.313 1.878 0 50 CDAA in-vitro COc1ccc(OC[C@H](C)NS(C)(=O)=O)cc1 12383564 WJELKXJQFMPPHV-VIFPVBQESA-N 259.327 1.012 0 50 CDAA C[C@@H](Cn1cccn1)NC(=O)c1cccc2nccnc12 19812359 UYOQSDJZTDHORY-NSHDSACASA-N 281.319 1.645 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)O1 155484452 MXVXGKNZDWNJEC-LERXQTSPSA-N 289.331 1.765 0 50 CDAA COCc1cc(CN=c2[nH]cnc3ccc(C)nc23)[nH]n1 1857669938 FHVMJQKZCRJOSK-UHFFFAOYSA-N 284.323 1.237 0 50 CDAA CCC[C@@]1(CO)CN(c2ncc(C)c(CC)n2)CC[C@@H]1O 1857719534 NZTCFKWRJCCFFS-HOCLYGCPSA-N 293.411 1.697 0 50 CDAA O=C(NCCCO)c1ccc(Br)cc1 3196787 GFCPPPKKGHYZSC-UHFFFAOYSA-N 258.115 1.561 0 50 CDAA O=C(N[C@H]1CC[C@H](O)CC1)N1CCC(n2ccnc2)CC1 332341214 VVMQYRSGZNRTHU-MQMHXKEQSA-N 292.383 1.533 0 50 CDAA Cc1nccc(NC(=O)N2CCO[C@H](c3ccco3)C2)n1 332477895 YFPPXSDIWHBFQC-LBPRGKRZSA-N 288.307 1.983 0 50 CDAA Cc1cc(CN2C[C@H](CO)Oc3ccccc32)no1 366028297 GDUSNVNODGLOBU-GFCCVEGCSA-N 260.293 1.743 0 50 CDAA O=C(O)[C@@H](NC(=O)[C@H]1CCCO1)c1ccc2c(c1)CCO2 263073431 PHRRYUNKBGGYOE-OLZOCXBDSA-N 291.303 1.042 0 50 CDAA O=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)cc1F 8013487 JFJAMQVFVYRCNY-UHFFFAOYSA-N 297.286 1.779 0 50 CDAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc[nH]c3)C1)CC2 1704301431 ZGSVPZYHGWRSRL-INIZCTEOSA-N 297.362 1.507 0 50 CDAA O[C@H](CN[C@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cn1 819235040 JQGZFWBKVVIXKJ-CFVMTHIKSA-N 280.343 1.801 0 50 CDAA CN(CCN(C)C1CC1)C(=O)[C@]12CC[C@H](CC1=O)C2(C)C 1118976366 WGKVSEZHLCFZEL-PXAZEXFGSA-N 292.423 1.934 0 50 CDAA Cc1ncsc1C(=O)N1C[C@@H]2CC[C@H](N)[C@H]2C1 248561163 AXEQUSCPSYJJOK-GUBZILKMSA-N 251.355 1.261 0 50 CDAA CCCCN(C)S(=O)(=O)N1CCCCC12CC(N)C2 1875278816 JCQMCSZVGLZKFJ-UHFFFAOYSA-N 289.445 1.309 0 50 CDAA C[C@@](CO)(CNC(=O)c1cc(=O)cc[nH]1)c1ccccc1 1875271696 AIWYTHIPUDSWJK-INIZCTEOSA-N 286.331 1.055 0 50 CDAA C[C@@H](CCc1ccncc1)N1C(=O)NC2(CCC2)C1=O 1875283631 YJWAFXNQPGIVHL-NSHDSACASA-N 273.336 1.877 0 50 CDAA O=C1[C@H]2CC[C@H]2C(=O)N1C[C@H]1Cc2ccccc2O1 1875270117 MXCGTFQLJKJZCJ-UTUOFQBUSA-N 257.289 1.385 0 50 CDAA O=C(O)[C@H]1Cc2ccc(O)cc2CN1C(=O)C1CC1 1875306230 YBDPHRRYAIZFRY-GFCCVEGCSA-N 261.277 1.140 0 50 CDAA CN(C)C/C=C/C(=O)NCc1nc2ccccc2o1 1875375706 LSFSDNWOAZCOBV-VMPITWQZSA-N 259.309 1.562 0 50 CDAA CCC1(NC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)COC1 1875300057 JEFNBGCJYIIPPQ-VHSXEESVSA-N 293.367 1.351 0 50 CDAA NC[C@H]1C[C@@H](Nc2nccc(-c3cnccn3)n2)C12CCC2 1875305528 WBCSNNAWKYBRSO-BXUZGUMPSA-N 296.378 1.863 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2ncnc3[nH]ccc23)C1 888077640 NANJUPCCJANZTC-MWLCHTKSSA-N 284.323 1.647 0 50 CDAA Cc1nn(C)cc1[C@H]1OCC[C@@H]1NCCc1cncn1C 1775959454 YOKJVYLSYSXOSY-LSDHHAIUSA-N 289.383 1.124 0 50 CDAA C=CC(=O)N1CC[C@H](n2cnc3ccccc3c2=O)C1 1776006427 PJUGZPBDHDHUMB-NSHDSACASA-N 269.304 1.356 0 50 CDAA O=C(CC[C@@H]1CCCNC1)NCC1(C(=O)O)CCC1 138603203 XQPUXNQSTSLWPB-NSHDSACASA-N 268.357 1.137 0 50 CDAA CCN1CCN(CC(=O)Nc2ccccc2F)CC1 20608845 YHGCFFRKDOFTLV-UHFFFAOYSA-N 265.332 1.402 0 50 CDAA O=C(O)COc1ccc(S(=O)(=O)N2CC=CCC2)cc1 167502031 RHIDXMLKXJLJQJ-UHFFFAOYSA-N 297.332 1.101 0 50 CDAA CN(Cc1cnnn1C)C[C@H]1COc2ccccc2O1 271046137 QXUWEWYJFBOWJL-LBPRGKRZSA-N 274.324 1.087 0 50 CDAA NC(=O)[C@]1(O)CCCN(Cc2ccc(Cl)c(F)c2)C1 285007909 YZTBNLDZXCBDBH-ZDUSSCGKSA-N 286.734 1.291 0 50 CDAA Cc1ccc(O)c(CN2CCC[C@H](C)[C@H]2C(=O)O)n1 424423185 UNHOQDYFKJBNRY-ZANVPECISA-N 264.325 1.781 0 50 CDAA CN(C)C[C@H](O)CN=c1ccc2cc(Cl)ccc2[nH]1 534580335 AAWSOJWYBMPHMM-GFCCVEGCSA-N 279.771 1.645 0 50 CDAA CO[C@@H](C(=O)NCc1cccc(C(=O)O)c1)C1CC1 668274157 WFQRLXHQSYABEQ-GFCCVEGCSA-N 263.293 1.426 0 50 CDAA CO[C@@]1(C(=O)O)CCN(c2nccc(C(F)(F)F)n2)C1 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CC[C@@H](CO)N(Cc1ccccn1)C(=O)CSC 65492907 WWVWLGZWGBHLIZ-LBPRGKRZSA-N 268.382 1.544 0 50 CDAA CCCn1nccc1C(=O)NCC[C@H]1CCCN(C)C1 67805590 HYKWLDBNVLZXBE-CYBMUJFWSA-N 278.400 1.755 0 50 CDAA CN1CCC(CNC(=O)COCc2ccccc2)CC1 67804261 KGKQDTURJBOKIX-UHFFFAOYSA-N 276.380 1.661 0 50 CDAA CN(C)C(=O)CCCn1cc(-c2cccc(O)c2)nn1 67908802 PXTCTVRRHICAFY-UHFFFAOYSA-N 274.324 1.519 0 50 CDAA CCN1CC[C@@H](N(C)C(=O)NCc2ccncc2)[C@@H](C)C1 229890749 LMHPIRAAAZWFLV-DZGCQCFKSA-N 290.411 1.953 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 428724 WCCGKYFNFUZZKO-UHFFFAOYSA-N 296.392 1.626 0 50 CDAA CCn1cc(Cl)c(C(=O)Nc2ccccc2C(N)=O)n1 1432214 QHNNKLXMCBZVHB-UHFFFAOYSA-N 292.726 1.908 0 50 CDAA c1cc(CNc2cnccn2)cc(CN2CCOCC2)c1 32603559 ASYNGKROFQZOFG-UHFFFAOYSA-N 284.363 1.921 0 50 CDAA CN1CCO[C@@H](CN(CC(=N)O)Cc2ccccc2F)C1 328636917 OISFXSFSPNQKKW-CYBMUJFWSA-N 295.358 1.494 0 50 CDAA Cc1n[nH]cc1CNC[C@@H]1CCN(C)[C@H]1c1cccnc1 328631973 LBMNRKSXHQEWDJ-HOCLYGCPSA-N 285.395 1.896 0 50 CDAA CCc1cc(NC(=O)C[C@H]2CCCS(=O)(=O)C2)n(C)n1 328802083 AQXMJADWHMVZTJ-SNVBAGLBSA-N 299.396 1.136 0 50 CDAA CC[C@@H](CC(F)(F)F)N1C(=O)N[C@H](CC(=O)OC)C1=O 431717644 ZXFZLTNOCBMCLC-NKWVEPMBSA-N 296.245 1.201 0 50 CDAA COc1ccc(-c2ccc(CO)cc2)cc1C(N)=O 32537223 FDTOQQXSLPSURF-UHFFFAOYSA-N 257.289 1.953 0 50 CDAA COc1cc(F)c(C(=O)N2C[C@H](C)N[C@H](C)C2)cc1OC 153295299 AUPUIKKODVRDBQ-AOOOYVTPSA-N 296.342 1.665 0 50 CDAA O=S1(=O)CC[C@@H](Nc2ncnc3ccsc23)C1 37375124 RKYNXQFKJSMXRO-SSDOTTSWSA-N 269.351 1.290 0 50 CDAA CO[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 211199571 NXPCFLVHUVYSBC-GFCCVEGCSA-N 259.302 1.487 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC[C@@H](OCC2CC2)C1 364466921 RYIDQRYMAUVRBM-CYBMUJFWSA-N 263.341 1.370 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NCCOCc1ccccc1 262611186 LENNHCHACLWFIJ-RYUDHWBXSA-N 263.293 1.040 0 50 CDAA COc1ccc(CN2C[C@H](O)C3(CC3)C2)c(OC)c1 368728581 JPQXTRFMIIUSOP-AWEZNQCLSA-N 263.337 1.661 0 50 CDAA Cc1ccc2c(c1)[C@H](NC(=O)c1ccc3nncn3c1)CO2 156439583 JYGDBMUGHKJLCM-CYBMUJFWSA-N 294.314 1.901 0 50 CDAA CCc1cc(N2CCC[C@H](N)C2)n2nc(C)c(C)c2n1 72447337 GZKLKHKTRRBGIN-LBPRGKRZSA-N 273.384 1.836 0 50 CDAA CC(=O)c1cc(CN2CCC3(CC2)CNC(=O)C3)n(C)c1 215627296 HHUZFCSTEDUXON-UHFFFAOYSA-N 289.379 1.330 0 50 CDAA C[C@@H](Cn1cc(Br)cn1)Nc1cnn(C)c1 157350133 MKACIUBKWROJOO-QMMMGPOBSA-N 284.161 1.880 0 50 CDAA CC[C@H](C(=O)OC)C(=O)N1CC[C@@H](C)[C@@H](OC)C1 338877125 JMFMIOPWNGMXRK-VWYCJHECSA-N 257.330 1.069 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)CC2CCSCC2)C1 157557756 NMIPTJQFXVEOPX-CYBMUJFWSA-N 271.382 1.843 0 50 CDAA Cc1csc(CCCCNC(=O)[C@H]2C[C@H]2C(=O)O)n1 262569573 CGBHNUGWINWALS-VHSXEESVSA-N 282.365 1.611 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1C(=O)O 262541329 RKALTKGRLPHDFB-BFHYXJOUSA-N 289.331 1.622 0 50 CDAA O=C(O)CCN(C(=O)C1[C@H]2CCCC[C@H]12)C1CCOCC1 238061424 NWHCTWDMNOWRNW-STQMWFEESA-N 295.379 1.905 0 50 CDAA COC1(C(=O)N(C)c2ccc(OCC(=O)O)cc2)CCC1 262883557 BWWXFOJYQBERCY-UHFFFAOYSA-N 293.319 1.682 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1CC(=O)O 262957566 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222700767 DBMMZSDLJUVLBX-SECBINFHSA-N 277.328 1.404 0 50 CDAA COC(=O)C[C@@H]1CCCN1C(=O)c1ccc(N(C)C)cc1 178884638 WNEWBSCLBJOLKC-AWEZNQCLSA-N 290.363 1.920 0 50 CDAA Cc1c[nH]nc1CN1CCC[C@@H]1C(=O)NCc1ccco1 290387929 JCYFAJWGFXGXTH-CQSZACIVSA-N 288.351 1.592 0 50 CDAA Cc1nonc1CC(=O)N1CCCN(CC(C)C)CC1 222979814 YCWLQAAIVGUWAH-UHFFFAOYSA-N 280.372 1.111 0 50 CDAA CC(C)c1ccc(C(=O)NCc2nccn2C)c(=O)n1C 426690363 WOKFILNIZHNKGC-UHFFFAOYSA-N 288.351 1.172 0 50 CDAA C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@H](C(=O)O)C1 178272159 HEABMFCENZEENJ-NRUUGDAUSA-N 275.304 1.484 0 50 CDAA CC[C@H](NC(=O)Cn1cc(Cl)c(C)n1)c1ncnn1C 222327822 UODKZHZRMFTNST-JTQLQIEISA-N 296.762 1.241 0 50 CDAA C[C@H](Cn1cccn1)NC(=O)Cn1ncc2ccccc21 221421795 GJYQACCMKGLHHK-GFCCVEGCSA-N 283.335 1.438 0 50 CDAA CN=c1cc[nH]c(-c2ccc(-c3cn[nH]c3)cc2)n1 426635240 DTAVCTUKPBGVOG-UHFFFAOYSA-N 251.293 1.997 0 50 CDAA CNC1CCN(C(=O)c2cc(Cl)cn2C)CC1 179144396 ZONZUPBNWHLRLC-UHFFFAOYSA-N 255.749 1.503 0 50 CDAA CC(C)c1cc(C(=O)N[C@H]2CCCCNC2=O)no1 82146878 ZSQWCQVYNWLMIN-VIFPVBQESA-N 265.313 1.197 0 50 CDAA COc1cccc(C(=O)NC[C@@H](C)CN(C)C)c1 292417499 PQCJQUDBQDGYEB-LLVKDONJSA-N 250.342 1.623 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)NC[C@@H](Cc1ccccc1)C(=O)O 236862267 RABUJGZKNZOGHN-MGPQQGTHSA-N 291.347 1.471 0 50 CDAA COc1nc(N2CC[C@]3(CCCN(C)C3=O)C2)ncc1F 91646046 ZNFLOEFPKCBQDN-CQSZACIVSA-N 294.330 1.073 0 50 CDAA CCOc1ncccc1[C@H](C(=O)O)N(C)Cc1ccon1 95374927 YQWURFQZDCPFPY-GFCCVEGCSA-N 291.307 1.726 0 50 CDAA CCCc1nnc(N2CCC(OCCOC)CC2)o1 95361079 ZPHLGBCQKHEGDM-UHFFFAOYSA-N 269.345 1.654 0 50 CDAA CC(=O)[C@@H]1[C@@H](c2ccco2)c2c(n[nH]c2C)C[C@]1(C)O 239439991 ZZVNTJXTNJXMSA-ZNMIVQPWSA-N 274.320 1.955 0 50 CDAA Cc1cnc(-n2cnnc2)c(-c2cncc(N)c2)c1 96164198 RPIHPKXEHYWTDQ-UHFFFAOYSA-N 252.281 1.615 0 50 CDAA Cc1cc(=O)c2ccccc2n1Cc1ncnn1C 91486695 UTAZTKHXSQJXHO-UHFFFAOYSA-N 254.293 1.487 0 50 CDAA CN1CCCCC[C@@H]1C(=O)N1CCn2cccc2C1 95382047 IFVOCRLMFKDYGK-CQSZACIVSA-N 261.369 1.705 0 50 CDAA Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C 96006009 NHUHCSRWZMLRLA-UHFFFAOYSA-N 267.310 1.674 0 50 CDAA fda CCc1nnc(NC(=O)CCN2CCC[C@H](OC)C2)s1 244574813 CRWUYYCJRBZKTB-JTQLQIEISA-N 298.412 1.540 0 50 CDAA COC(=O)[C@H]1C(=O)N[C@@]2(C)C[C@H]1c1cccc(OC)c1O2 242495509 GGLBKENEATUYDU-ZVWUFJHRSA-N 291.303 1.197 0 50 CDAA Cc1cc(NC(=O)CN(C)Cc2n[nH]c3c2CCC3)no1 243914962 BLCLZWSYDXNGNB-UHFFFAOYSA-N 289.339 1.265 0 50 CDAA Cc1c(C)[n+](C)c([C@@H](CC(=O)O)c2ccncc2)n1O 604404183 DUJKWLOQUWSETI-LBPRGKRZSA-O 276.316 1.168 0 50 CDAA biogenic C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)CCC(=O)O 299747588 DHAGRJNPIQJUIA-TVQRCGJNSA-N 263.293 1.484 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2nc(C)cn2C1 253598425 KURUVAIPAONIKP-QJPTWQEYSA-N 263.341 1.048 0 50 CDAA C[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)n1cccc1 263587933 NDJFRUYJBNINLI-LLVKDONJSA-N 298.346 1.878 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1cncc(F)c1 534576071 DXVNWULAJZBKMF-VIFPVBQESA-N 277.303 1.713 0 50 CDAA CCN(CC)S(=O)(=O)NCc1cc(C2CC2)on1 534635568 CSLAOCOVVRDPDU-UHFFFAOYSA-N 273.358 1.228 0 50 CDAA Cc1cnn([C@@H]2CCN(c3cccc(C(=O)O)n3)C2)c1 263422992 PZQOYAPIYRUMNG-LLVKDONJSA-N 272.308 1.736 0 50 CDAA COC(=O)[C@]1(CN)CC12CCN(C(=O)OC(C)(C)C)CC2 260029974 CKVCWEBYSLEJNT-OAHLLOKOSA-N 298.383 1.526 0 50 CDAA C[C@@H](NC(=O)c1cc(F)c(F)cc1F)c1ncnn1C 277360469 ZLARHCNWYJYUQZ-ZCFIWIBFSA-N 284.241 1.723 0 50 CDAA Cn1ccc2ccc(C(=O)NCc3nnc4n3CCC4)nc21 1940193476 YBNDJXIPKUXTFL-UHFFFAOYSA-N 296.334 1.041 0 50 CDAA COc1cccc(C(=O)NC2(C(=O)O)CCOCC2)c1F 397412928 PXJYJLDQGRCIGV-UHFFFAOYSA-N 297.282 1.198 0 50 CDAA COc1ncc(CN(C)[C@@H]2CCOC(C)(C)C2)cn1 824852027 OEZPFQNLQHTAAQ-GFCCVEGCSA-N 265.357 1.875 0 50 CDAA CCc1nc(CCn2cncn2)n(CC(F)(F)F)n1 823550805 MJTFTQOTZLTORJ-UHFFFAOYSA-N 274.250 1.237 0 50 CDAA CC[C@@H](NC(=O)CCCn1cnnn1)c1ccncc1 822662132 FUJYLVUQBIKTPX-GFCCVEGCSA-N 274.328 1.116 0 50 CDAA CCC1(CC)CCN([C@H](C)CNS(=O)(=O)CC)C1 822677177 HMOQBGUPMHIWCY-GFCCVEGCSA-N 276.446 1.826 0 50 CDAA FC(F)(F)Cn1ncnc1CCCc1cn[nH]c1 825691920 SHLRIYIJCAXPCI-UHFFFAOYSA-N 259.235 1.739 0 50 CDAA Cc1cc(C)c2ncn(CCCc3nn[nH]n3)c(=O)c2c1 584890559 UPNDXXFLQRSJKW-UHFFFAOYSA-N 284.323 1.159 0 50 CDAA O=C1NCCC[C@H]1c1ncnn1Cc1ccc(F)cc1 828307391 HJKUWMVXJQZGQN-LBPRGKRZSA-N 274.299 1.459 0 50 CDAA OCc1ccc2c(c1)CN([C@H]1CCSC1)CCO2 584890892 RIXVLKBNZCQSGK-ZDUSSCGKSA-N 265.378 1.879 0 50 CDAA COCCc1nc(C[C@H]2C=CCC2)n(CC(C)(C)O)n1 670442146 MJIFFYYNLNCNAF-LBPRGKRZSA-N 279.384 1.747 0 50 CDAA C[C@@H]1CC(C[C@@H](N)C2(O)CCNCC2)C[C@@H](C)O1 958527998 LOZNDGXDZWMNDC-NQBHXWOUSA-N 256.390 1.022 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CN1CCCCCCC1 1565509474 JDLOXPGDOWSBIG-KBPBESRZSA-N 293.411 1.189 0 50 CDAA NS(=O)(=O)C1CCN(Cc2ncc(Cl)s2)CC1 408335821 KCABWIUVIRJQCG-UHFFFAOYSA-N 295.817 1.049 0 50 CDAA O[C@@H](CNc1ccc(C(F)(F)F)cn1)c1cnc[nH]1 952881668 ICQGXWCSIAXCPU-VIFPVBQESA-N 272.230 1.969 0 50 CDAA c1cnnc(N2CCC(Nc3cnccn3)CC2)c1 277274371 YFCNXGOODBWHCW-UHFFFAOYSA-N 256.313 1.348 0 50 CDAA Cc1occc1CN(C)c1cc(N2CCOCC2)ncn1 277428527 LTIXLFHWSSDCOT-UHFFFAOYSA-N 288.351 1.851 0 50 CDAA CCOC(=O)[C@H](C)NC1CCN(Cc2ccncc2)CC1 169987009 ZXTCQBKVRSKABJ-ZDUSSCGKSA-N 291.395 1.587 0 50 CDAA Cc1ccsc1C(=O)NC1CCS(=O)(=O)CC1 407995460 ICNJUDDEZBAMCJ-UHFFFAOYSA-N 273.379 1.364 0 50 CDAA CO[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)O)cn2)C12CCC2 634807127 ZAQLWLGEDONPNF-NEPJUHHUSA-N 290.319 1.467 0 50 CDAA Cc1cocc1C(=O)N1CCC[C@@H](c2n[nH]c(=N)o2)C1 636195776 KKNCGULTHGNISA-SECBINFHSA-N 276.296 1.403 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NCc1nc2cccnc2[nH]1 194228890 PRNGIHBXCZCCOM-VHSXEESVSA-N 274.324 1.389 0 50 CDAA Nc1cccc(CNS(=O)(=O)CCc2cccs2)c1 195408604 CJQYPNYZRFCOKR-UHFFFAOYSA-N 296.417 1.992 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1cnn(C(C)C)c1 692405769 PRUVUNZRIDXVGS-CQSZACIVSA-N 281.356 1.530 0 50 CDAA C[C@H]1CN(C(=O)Cc2cnnn2C)[C@H]1c1ccccc1 669356306 XIGVOEQBAUCFEF-XHDPSFHLSA-N 270.336 1.577 0 50 CDAA C[C@@H](O)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccoc2)C1 583974346 WNHCVOVGXMFNPQ-GHMZBOCLSA-N 289.335 1.903 0 50 CDAA CCCOc1ccnc(CC(=O)NCc2nccs2)n1 585121694 WIVMZPGIBKNZSH-UHFFFAOYSA-N 292.364 1.581 0 50 CDAA CN1CCCC[C@@H](C(=O)N2CC[C@H](O)CC(C)(C)C2)C1=O 585131733 FDFPNAXTIUCVNN-QWHCGFSZSA-N 296.411 1.254 0 50 CDAA CCCCCOCC(=O)NCc1cc(OC)no1 585128093 ROAZBJTYKRFZTQ-UHFFFAOYSA-N 256.302 1.506 0 50 CDAA NC(=O)c1ccc(C(=O)N2CCCC[C@]23CCOC3)s1 1615613842 AFHXFXQROQZHCA-CQSZACIVSA-N 294.376 1.632 0 50 CDAA Cc1nonc1CC(=O)Nc1cc(C(F)(F)F)[nH]n1 1646015997 VADPBYYRZHZNFM-UHFFFAOYSA-N 275.190 1.301 0 50 CDAA CC(C)(C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 616759 DMEBBWKNQGJMGE-UHFFFAOYSA-N 297.332 1.173 0 50 CDAA CCOC(=O)c1ccc(NC(=O)/C=C/C(=O)O)cc1 141867 PGHXVUXXQIGFAM-BQYQJAHWSA-N 263.249 1.443 0 50 CDAA biogenic,in-vitro Cc1n[nH]c(C)c1CCCN(C)c1n[nH]c(=N)s1 1857677500 FFQKMJBWDHZITF-UHFFFAOYSA-N 266.374 1.360 0 50 CDAA Cc1nonc1CNC(=O)c1cn2ccsc2n1 1857682968 NDVZAPZPUKEWGD-UHFFFAOYSA-N 263.282 1.017 0 50 CDAA Cc1nc2n(n1)CCN(C(=O)[C@H](C)C(F)(F)F)C2 408335275 UJDBGECTHHNCMM-LURJTMIESA-N 262.235 1.127 0 50 CDAA Cc1nc[nH]c1CN(CCO)C(=O)[C@@H](C)c1ccccc1 1704329686 ARQZDLJKLSFVKH-LBPRGKRZSA-N 287.363 1.843 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1cc(OC)c(C)cc1C 11566191 BJRFQJZSESRQFJ-NSHDSACASA-N 287.381 1.361 0 50 CDAA CS(=O)(=O)NCc1nc(-c2ccccc2Cl)no1 13690753 GJDBPNXTXIODPH-UHFFFAOYSA-N 287.728 1.439 0 50 CDAA COC(=O)CCCC(=O)NCc1cccnc1N(C)C 19147736 BFAWTFGUOKBZEP-UHFFFAOYSA-N 279.340 1.107 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3CCOCC3)n[nH]c21 1857528478 NZIGLPZWECRMLK-BDAKNGLRSA-N 279.340 1.341 0 50 CDAA O=C(CCc1cc(Cl)no1)N[C@@H]1C[C@@H]2CC[C@H]1O2 1857706992 FBFIVIZWBPAMKW-FXBDTBDDSA-N 270.716 1.697 0 50 CDAA Cc1ccsc1CNC(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857734823 TTZJOQHBTMLGML-HBNTYKKESA-N 268.382 1.161 0 50 CDAA Cc1cccnc1CCNC(=O)C12CCCN1CCC2 452794413 HFZDRWGZEGEGLS-UHFFFAOYSA-N 273.380 1.677 0 50 CDAA CS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)s1 332928046 LZOOZEUIWJASAO-MNOVXSKESA-N 299.417 1.814 0 50 CDAA CCCc1noc(CCCC(=O)N2CC[C@H](C(=O)O)C2)n1 236947230 SBJQUPDBEOMMGU-JTQLQIEISA-N 295.339 1.278 0 50 CDAA COc1ccc2nc(C)cc(C(=O)N3CCN[C@@H](C)C3)c2c1 237303454 DDIQPIONXVMPNT-LBPRGKRZSA-N 299.374 1.986 0 50 CDAA O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@H](O)C[C@H]1CO 334299492 QZSLZPBWTFNJAW-WDEREUQCSA-N 294.738 1.389 0 50 CDAA CC(=O)N1CCN(C(=O)c2ccc(C)nc2O)C(C)(C)C1 334371804 QINIKFMVLDFNSM-UHFFFAOYSA-N 291.351 1.179 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 238857067 XZTIGXRGMUHWCL-IXOXFDKPSA-N 287.315 1.923 0 50 CDAA in-vitro Cc1ccc(N2CCCC2)c(C(=O)N2CC[C@H](N)C2)c1 132563201 ORQHPFKKYMIPOR-ZDUSSCGKSA-N 273.380 1.768 0 50 CDAA CC(C)COCCN1CCC[C@@H](c2nnc[nH]2)C1 252496283 PFSLWPPZGOZPSW-GFCCVEGCSA-N 252.362 1.657 0 50 CDAA C[C@@H]1CN(C(=O)c2cc(F)cc3nccnc23)C[C@@H](C)N1 153594803 MNCQXMDLBMQFDV-NXEZZACHSA-N 288.326 1.591 0 50 CDAA C[C@H](Cc1ccc(NC(=O)[C@@H]2COCCO2)cc1)C(=O)O 262811039 PDQRCCGRRXSHTC-MFKMUULPSA-N 293.319 1.304 0 50 CDAA CNc1ccc(C)cc1CNC1CC(NS(C)(=O)=O)C1 902537348 MSVMWDOKFSBSRP-UHFFFAOYSA-N 297.424 1.207 0 50 CDAA O=C(O)[C@@H]1c2ccccc2OCCN1Cc1ncccn1 903925647 BAWDVWAYEBGFFD-AWEZNQCLSA-N 285.303 1.497 0 50 CDAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)CC1(O)CCC1 910203030 PJQIWIZCLUDBMP-LBPRGKRZSA-N 279.292 1.095 0 50 CDAA CC[C@H]1C(=O)NCCCN1Cc1cnc(OC)c(Cl)c1 933228672 DAXUMGPDPCEQSX-LBPRGKRZSA-N 297.786 1.844 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1Cc2ccncc2C1 857255874 XRFDRQTUYYIOAX-UHFFFAOYSA-N 282.303 1.611 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCc2sccc2[C@@H]1C 858176091 KONDZQJXFTWWTQ-JTQLQIEISA-N 278.377 1.838 0 50 CDAA COc1ccnc(O)c1C(=O)N1CCCc2n[nH]cc2C1 952891887 KBEAZWLCUHRDPG-UHFFFAOYSA-N 288.307 1.108 0 50 CDAA COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCC=C(F)C2)C1 952993093 BQANVDCWOAVMRD-KOLCDFICSA-N 291.344 1.217 0 50 CDAA CN(C)c1nccc2c1CCN(c1nnc(C3CC3)n1C)C2 1875280650 HSLKFGICDKLERB-UHFFFAOYSA-N 298.394 1.716 0 50 CDAA CCn1nnc(C)c1CN(Cc1cnn(C)c1)C1CC1 1875273779 FBIRXEZVBBMAPS-UHFFFAOYSA-N 274.372 1.505 0 50 CDAA C[C@@]12CC[C@@](C(=O)Nc3ccnc4ccnn34)(C1)OC2 1875307477 ZUAJZKCNYNIQAD-KGLIPLIRSA-N 272.308 1.627 0 50 CDAA COC[C@@]1(NC(=O)/C=C/CN(C)C)CC=CCC1 1875377282 WXIVNVTWFHBAGB-HSBSLETESA-N 252.358 1.346 0 50 CDAA C[C@@H]1CN(C)C[C@H](c2nnc(-c3ccncc3F)o2)O1 888078937 LGQBSTVKKHFJEX-LDYMZIIASA-N 278.287 1.662 0 50 CDAA O=C(N[C@]12CCC[C@H]1CNC2)c1cc2cnccc2[nH]1 1775787855 VNENZANGEDZUSI-NHYWBVRUSA-N 270.336 1.435 0 50 CDAA COc1cccc(CN[C@@H]2CCN(C(C)C)C2=O)n1 237232501 RIIFSJUGMGGYEN-GFCCVEGCSA-N 263.341 1.189 0 50 CDAA C[C@@H](NC(=O)CN1CCCC1)c1nc2ccccc2[nH]1 252484420 FVTLOGJCFUUUBI-LLVKDONJSA-N 272.352 1.836 0 50 CDAA c1ccc(O[C@@H]2CCN(Cc3cncnc3)C2)nc1 271177593 IEWHNXWNPXMIKT-CYBMUJFWSA-N 256.309 1.525 0 50 CDAA CCc1ncnc(N[C@@H]2CCC(=O)N[C@H]2C)c1F 281624069 KOWXNTRNIGIVDV-IONNQARKSA-N 252.293 1.257 0 50 CDAA CC(C)(C)CN(CC(=O)O)C(=O)Cc1cccc(O)c1 701352981 OJROUWGWHGJOCG-UHFFFAOYSA-N 279.336 1.894 0 50 CDAA CCC1(O)CCN(S(=O)(=O)N2CCCCCC2)CC1 408429096 IQUJYCCHYZNIFO-UHFFFAOYSA-N 290.429 1.344 0 50 CDAA CC1(C)NCC[C@H]1NC(=O)c1cncc(C(F)(F)F)c1 335231419 LKOMMTORSVAULO-SNVBAGLBSA-N 287.285 1.971 0 50 CDAA CC(C)c1nc(Cn2c(=O)cnc3ccccc32)no1 95358585 FVDSXEZGUQAOCF-UHFFFAOYSA-N 270.292 1.951 0 50 CDAA OCCN[C@H]1CCCN(Cc2ncccc2Cl)C1 708579699 KVYOESLLRYCFGU-NSHDSACASA-N 269.776 1.281 0 50 CDAA C[C@@H]1C[C@@H]1CN(C)c1nn2c(=O)ccnc2s1 2325789820 PQLLLBGLYZIHPP-HTQZYQBOSA-N 250.327 1.243 0 50 CDAA Cc1cccc(CN(C)C(=O)C2(c3nn[nH]n3)CC=CC2)n1 2325806959 QCRXRHCZZDFQBO-UHFFFAOYSA-N 298.350 1.150 0 50 CDAA CC1(C)C[C@@H]1CCC(=O)N[C@@]1(c2nn[nH]n2)CCSC1 2325807802 TUWGULFBJNZFMJ-ZANVPECISA-N 295.412 1.474 0 50 CDAA Cc1ccc(OCCCNC(=O)[C@H](F)[C@@H]2CCNC2)cc1 876628727 TYPCJVFGVRDUAL-UKRRQHHQSA-N 294.370 1.828 0 50 CDAA CN(C)c1cccnc1C(=O)N[C@H]1CCCc2c[nH]nc21 901106076 KOILEEHTRDUUPS-NSHDSACASA-N 285.351 1.678 0 50 CDAA Cn1nc(CC(C)(C)C)cc1NC(=O)c1nccnc1N 114689308 BZZVZCFJPXRIHZ-UHFFFAOYSA-N 288.355 1.633 0 50 CDAA C[C@H](O)/C=C/[C@@H]1OC(=O)C[C@@H]1Nc1ccc(C(=O)O)cc1 31158865 IZSWILLJDXDGDJ-SQJJNNDZSA-N 291.303 1.418 0 50 CDAA biogenic,in-vitro COc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1OC 251122 UMDJBYSQZISICH-UHFFFAOYSA-N 296.348 1.754 0 50 CDAA O=C(CSC1=NCCS1)Nc1nccs1 446109 JMGHMXPQOFOVET-UHFFFAOYSA-N 259.381 1.918 0 50 CDAA Nc1nnc(SCC(=O)NC2CCCCC2)s1 459954 PMGABMZHRIXEGY-UHFFFAOYSA-N 272.399 1.661 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CC(=O)n3cnnc3N2)cc1 543675 WTYJCTXJXCZKKO-JTQLQIEISA-N 271.280 1.050 0 50 CDAA O=C(CCCc1cn[nH]c1)N[C@H]1CC[C@H](C(=O)O)CC1 2356148583 HBJIBKQLAYYEPF-HAQNSBGRSA-N 279.340 1.492 0 50 CDAA CCO[P@@](C)(=O)[C@@H](CC(=O)OC)C(=O)OC 3002596 XAQIMZALXDQEAW-HYORBCNSSA-N 252.203 1.036 0 50 CDAA O=C(O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 4670212 FKLPNRKBUSYBOB-UHFFFAOYSA-N 264.668 1.648 0 50 CDAA C[C@H](CC(=O)O)CC(=O)N1CCN(c2ccccc2)CC1 4677809 CGSVFBINEFTMFK-ZDUSSCGKSA-N 290.363 1.836 0 50 CDAA COc1ccc(NC(=O)C(=O)Nn2c(C)ccc2C)cc1 4866724 JOSCCUQYQBFKMG-UHFFFAOYSA-N 287.319 1.822 0 50 CDAA CNc1nc(C)nc(-c2ccccc2OC(C)=O)n1 4997426 GAQIHSXCCBIWFS-UHFFFAOYSA-N 258.281 1.814 0 50 CDAA CCCNC(=O)c1cc(S(=O)(=O)N(C)C)cs1 6680264 LZDWKCKUMAMTDT-UHFFFAOYSA-N 276.383 1.138 0 50 CDAA O=C(O)CCC(=O)Nc1sccc1C(=O)NC1CC1 6730646 KLOZRZREZIPUJT-UHFFFAOYSA-N 282.321 1.444 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)[C@H]1CCOc2ccccc21 111185662 PRVQQFOQNRHTGM-ONGXEEELSA-N 263.293 1.484 0 50 CDAA Cc1cc(C)n(Cc2nc(-c3nccn3C)no2)n1 225596006 RAFOQXVAHUIAOR-UHFFFAOYSA-N 258.285 1.332 0 50 CDAA OC12CC3C[C@@H](C1)C(N1CCN4CCC[C@@H]4C1)[C@@H](C3)C2 101564592 WVXPVIUIBUGHEW-NXCUJCASSA-N 276.424 1.706 0 50 CDAA Cc1nc(C)n(C2CN(c3ccc(C(F)(F)F)nn3)C2)n1 225812734 ZDOQTASXWSWHLC-UHFFFAOYSA-N 298.272 1.765 0 50 CDAA OC[C@@H](O)CN(Cc1ccsc1)Cc1ccco1 55281720 OWRBBFYXHVDWQP-LBPRGKRZSA-N 267.350 1.697 0 50 CDAA CC1(C)C[C@H](NC(=O)N2CCC[C@@]2(C)CO)C(C)(C)O1 134204770 JAGYXXUTVDAKMX-NHYWBVRUSA-N 284.400 1.889 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100163228 ZPMJBHUNSHDFPT-XKNYDFJKSA-N 253.298 1.786 0 50 CDAA Cc1nonc1NC(=O)C(=O)c1cnn(-c2ccccc2)c1 113809307 ZJPDIWYODZHGCU-UHFFFAOYSA-N 297.274 1.385 0 50 CDAA CCc1nc(CN(C)c2nc(C)ncc2CC)no1 65531621 FTULNQBEFCPTKD-UHFFFAOYSA-N 261.329 1.929 0 50 CDAA COc1cc(CCN2C[C@H](C(=O)O)CC2=O)cc(OC)c1 65405132 RXMKVPYUIJCRHB-LLVKDONJSA-N 293.319 1.179 0 50 CDAA CN(CCn1ccnc1)C(=O)c1cc(C(F)(F)F)n[nH]1 20781012 LOVRJSMNVUSWAG-UHFFFAOYSA-N 287.245 1.397 0 50 CDAA C[C@H](OCC(F)(F)F)C(=O)N1CCCC[C@H]1C(=O)O 136463320 TVVSLNOKHILLRN-YUMQZZPRSA-N 283.246 1.420 0 50 CDAA Cc1csc(CN(C)S(=O)(=O)N(C)C(C)C)n1 118436208 FQKTVHSOWFAYJL-UHFFFAOYSA-N 277.415 1.468 0 50 CDAA CC(C)Cc1n[nH]c(Cn2c(=O)oc3ccccc32)n1 65397070 ITJMKKZPQBVUOW-UHFFFAOYSA-N 272.308 1.959 0 50 CDAA CN1CCN(Cc2ccc(Br)o2)CC1 22045106 SPPPWVPXURIZMU-UHFFFAOYSA-N 259.147 1.790 0 50 CDAA C[C@@H](CCCO)Nc1nc(C(F)(F)F)nc2[nH]cnc12 252487602 HYEVLQJIKLHMOX-LURJTMIESA-N 289.261 1.945 0 50 CDAA CCOc1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)c1 281856265 ZBXIDNWGAQVWFH-RISCZKNCSA-N 299.392 1.525 0 50 CDAA CCn1cc(Cl)c(C(=O)NCCc2cnc[nH]2)n1 216267308 ZZRKZLVDDYXTGM-UHFFFAOYSA-N 267.720 1.252 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)on1 253392542 AFRYIJXKYSKDIB-YPMHNXCESA-N 294.351 1.281 0 50 CDAA O=C(CNC1CC1)N[C@@H](c1ccccn1)C(F)(F)F 215753756 YMWZWTLEGWJSIA-NSHDSACASA-N 273.258 1.553 0 50 CDAA Cc1cccnc1CN1CCN(C(=O)c2cnn(C)c2)CC1 72430062 UIXHSBIXMBJFPL-UHFFFAOYSA-N 299.378 1.082 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CN2CCCC2=O)cs1 330388660 XFDIRLJDVPKSCI-MRVPVSSYSA-N 267.354 1.251 0 50 CDAA N=c1ccnc(CN2CCC[C@H](OCC3CC3)C2)[nH]1 368793118 SEFNAOLHWKPEGE-LBPRGKRZSA-N 262.357 1.280 0 50 CDAA NC[C@H]1CC[C@@H](C(=O)NC2CCC3(CCOCC3)CC2)O1 261849993 RJYVAQOXMTURDP-KGLIPLIRSA-N 296.411 1.348 0 50 CDAA O=C([C@@H]1CCCO1)N1CCCN(Cc2ccsc2)CC1 215811903 JWWFHRHEMJTRLF-AWEZNQCLSA-N 294.420 1.961 0 50 CDAA O=C(N=c1cc[nH][nH]1)Nc1ccc(Cn2cccn2)cc1 494772807 NKLVYYJJNQXPHR-UHFFFAOYSA-N 282.307 1.720 0 50 CDAA Cc1c[nH]c(CN2CCO[C@H](C(F)(F)F)C2)c(C)c1=O 71771446 NTLMQFUGMBOXMQ-NSHDSACASA-N 290.285 1.755 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C(N)=O 284566682 KAIVDGXXWUWNNF-BXKDBHETSA-N 271.320 1.361 0 50 CDAA O=C([C@H]1CCCN1C1CCCC1)N1CCN2CCC[C@H]2C1 335206798 LUVMUUVLGPZCBO-JKSUJKDBSA-N 291.439 1.700 0 50 CDAA CCc1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)[nH]1 222386141 IATBECIPBCXTOL-CYBMUJFWSA-N 299.378 1.766 0 50 CDAA C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@@H](C)c1cccs1 135728445 KWPXHEXXEQBTOE-JFGNBEQYSA-N 289.422 1.948 0 50 CDAA CC(C)[C@H](CC(=O)O)NC(=O)Cn1nc2ccccc2n1 223000353 PSBZHQWZYISKTI-LBPRGKRZSA-N 290.323 1.047 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CC[C@@H]2CCCOC2)C1 178267141 FSBIJOWQFWRCBE-WDEREUQCSA-N 255.314 1.126 0 50 CDAA CC(C)N1CCCC[C@H]1CCNC(=O)Cn1ccnn1 426526004 HHNGHLBHUCTKPG-ZDUSSCGKSA-N 279.388 1.047 0 50 CDAA Cc1cnn([C@@H](C)CNC(=O)c2c(Cl)c(C)nn2C)c1 426689955 UCJQTURTBNMRII-VIFPVBQESA-N 295.774 1.878 0 50 CDAA CCn1nccc1-c1ncc(F)c(N2CCOCC2)n1 426392824 OHIDFXZJWYZROC-UHFFFAOYSA-N 277.303 1.336 0 50 CDAA Cc1c[nH]c(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)n1 95528772 TZMPIXOXQFETMX-NWDGAFQWSA-N 264.373 1.376 0 50 CDAA Cc1oc(=O)n(Cc2nc(-c3ccco3)no2)c1C 95374635 VFIRNDUGYONSAK-UHFFFAOYSA-N 261.237 1.749 0 50 CDAA Cc1cc(=O)c(C(=O)N(C)CCC[C@H]2CCCO2)cn1C 426599813 WWKMHXJTWAJLSO-ZDUSSCGKSA-N 292.379 1.725 0 50 CDAA CCOCCC(=O)N1CC[C@H](Cc2cccc(CO)c2)C1 95384560 SIJYWUWHNHAATH-OAHLLOKOSA-N 291.391 1.997 0 50 CDAA CCSc1ccccc1C(=O)N[C@H]1CCC(=O)NC1=O 532956780 RZTGNBYYTQUZSS-JTQLQIEISA-N 292.360 1.334 0 50 CDAA Cn1c(-c2cn(C3CCNCC3)nn2)nc2ccccc21 91678378 NNPJUKCBMJAVIU-UHFFFAOYSA-N 282.351 1.756 0 50 CDAA CN1CCCC[C@@H]1Cn1ncc(N2CCCCC2)cc1=O 95358755 KUSNCYGJZBZIGC-CQSZACIVSA-N 290.411 1.718 0 50 CDAA CNC(=O)Cn1cc(-c2ccc(OC)c(C)c2)cn1 96137236 JXSCKWSUFVLJQH-UHFFFAOYSA-N 259.309 1.613 0 50 CDAA CCC[C@@]1(CO)CCCN(Cc2nnc(OC)s2)C1 91997239 AWURCCYJSKPTFF-CYBMUJFWSA-N 285.413 1.921 0 50 CDAA O=C(NCCOc1ccccc1)c1cc2ncccn2n1 97324078 JUFMQSVGOYFUAE-UHFFFAOYSA-N 282.303 1.538 0 50 CDAA C[C@H](CNC(=O)[C@H]1CCCN1Cc1ccccc1)C(=O)O 237464823 KIGVMVQEKBHCMK-TZMCWYRMSA-N 290.363 1.488 0 50 CDAA OCCN1CCN(Cc2cccc(Br)c2)CC1 95402574 BAMYAEXJRNQESW-UHFFFAOYSA-N 299.212 1.559 0 50 CDAA CCc1nc(C)sc1Cn1ncc(N(C)C)cc1=O 95357955 VCQKQGTWHFEHDH-UHFFFAOYSA-N 278.381 1.685 0 50 CDAA 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272.348 1.323 0 50 CDAA CNC(=O)C(C)(C)CN[C@H]1CCC[C@@]12CCCO2 1616041425 REYUMZBMVUOLHL-SMDDNHRTSA-N 254.374 1.450 0 50 CDAA c1coc(CN2CCC(N3CCOCC3)CC2)c1 550819 FURNTDSXZQOHII-UHFFFAOYSA-N 250.342 1.576 0 50 CDAA Cc1cnccc1N1CCN([C@@H]2CN3CCC2CC3)CC1 1506419032 XNUMNFGZGNIDHD-QGZVFWFLSA-N 286.423 1.606 0 50 CDAA CCc1nccn1C[C@@H](C)N[C@H]1CC[C@@H](N)CC1 1506399113 ZCUFZRMOIASJCD-UPJWGTAASA-N 250.390 1.694 0 50 CDAA Cc1cnc(N2[C@H]3CC[C@@H]2CCN(C)C3)nc1N(C)C 1704335593 CQMSXPZRJSCFPU-OLZOCXBDSA-N 275.400 1.524 0 50 CDAA Cc1nnc([C@H](C)N2CCN(CC(C)(C)O)[C@@H](C)C2)s1 407982873 KURINBWUXPNMRU-QWRGUYRKSA-N 298.456 1.685 0 50 CDAA OCc1csc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)n1 1704309031 WFCBFRUGQSFCGG-ZWNOBZJWSA-N 291.376 1.070 0 50 CDAA C[C@]1(O)CCOC2(CCN(Cc3cncnc3)CC2)C1 1704307538 JLHUPDGURAXUMZ-AWEZNQCLSA-N 277.368 1.373 0 50 CDAA Cc1ccccc1-n1cc(CN(C)c2nnc(CN)o2)cn1 1772712707 XAWALSQNXAPPRV-UHFFFAOYSA-N 298.350 1.659 0 50 CDAA O=C(CC[C@H]1CCCN(Cc2c[nH]cn2)C1)NC1CC1 11663477 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BAGVAFBZMDOOIV-UHFFFAOYSA-N 250.298 1.410 0 50 CDAA O=CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 858758 TVTJPNLMEPABFX-STQMWFEESA-N 283.349 1.449 0 50 CDAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1nccs1 2111003 TTYCDMFAARNYKZ-SFYZADRCSA-N 252.295 1.749 0 50 CDAA CC1=C[C@H](C)[C@@H](C(=O)O)[C@@H](C(=O)N2CCN(C)CC2)C1 4151555 WWKUJJPNJHOTEE-RWMBFGLXSA-N 280.368 1.064 0 50 CDAA Nc1nc2cc(S(=O)(=O)N3CCCC3)ccc2o1 4206187 ONZSHSBRNGDIGQ-UHFFFAOYSA-N 267.310 1.195 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1 7375558 KYRVPHUXXZPKIF-UHFFFAOYSA-N 296.392 1.189 0 50 CDAA O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)N1CCCCC1 109756840 NPUFNVJWFSXLCN-JQWIXIFHSA-N 294.317 1.387 0 50 CDAA CCCCn1nnc(NC(=O)c2cccs2)n1 9190281 IIHNNTBKIIFFMP-UHFFFAOYSA-N 251.315 1.787 0 50 CDAA CS(=O)(=O)C1=CC(S(C)(=O)=O)=C(O)CCCC1 101036101 VIEMSGRQABBYJX-UHFFFAOYSA-N 280.367 1.303 0 50 CDAA O=C(CC[C@@H]1CCNC1)Nc1ccc2c(c1)CCC(=O)N2 134487544 HOFMURLNQZULIY-LLVKDONJSA-N 287.363 1.900 0 50 CDAA CN(Cc1ccco1)C(=O)CSc1nccn1C 20863882 XCQQDMRAVZVIJX-UHFFFAOYSA-N 265.338 1.764 0 50 CDAA C[C@@H](CN1CCOCC1)OC(=O)/C=C/c1ccccc1 20064760 FPGVMGLRILHLKN-NPQIQWPPSA-N 275.348 1.964 0 50 CDAA COc1ccc(CN2CCN(C)[C@@H](CCO)C2)cc1OC 22919896 QAPWEELCULRWEQ-AWEZNQCLSA-N 294.395 1.202 0 50 CDAA CCN(CC)CCNC(=O)c1ccc(Cl)c(N)c1 22176158 TZFDNBRMNYIRLB-UHFFFAOYSA-N 269.776 1.994 0 50 CDAA NCc1cn(C[C@@H]2CCCN(Cc3ccoc3)C2)nn1 23153346 CDTKNANCITWCKM-GFCCVEGCSA-N 275.356 1.242 0 50 CDAA Cc1nc(CN2CCOC[C@@H]2CC(=O)c2ccco2)no1 121103452 ISILWRGFLMZHGX-NSHDSACASA-N 291.307 1.445 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCn3ccnc3C2)on1 328623135 IXGVSWNRGZRHGG-SNVBAGLBSA-N 260.297 1.172 0 50 CDAA CS(=O)(=O)CCC(=O)N1CCc2ccccc2C1 62082296 TYTJTDCMOYYTBA-UHFFFAOYSA-N 267.350 1.006 0 50 CDAA O=C1C[C@H](c2ccc(-c3cc[nH]n3)o2)c2c[nH]nc2N1 67822111 AKDSYKRDRBIWEN-ZETCQYMHSA-N 269.264 1.867 0 50 CDAA CC1(C)C[C@H](NCC2(CS(C)(=O)=O)CCC2)CO1 331762090 JKZMQJMCALYCJV-NSHDSACASA-N 275.414 1.358 0 50 CDAA COc1cc(Br)cc2c1OCC(=O)N2 35287610 MIXOICKBNDQVQQ-UHFFFAOYSA-N 258.071 1.789 0 50 CDAA Cc1ncsc1CCN(C)C(=O)c1ccc(N)nc1 215325553 OJUWIIFQVLMVPR-UHFFFAOYSA-N 276.365 1.743 0 50 CDAA O=C(c1ccncc1)N1CC[C@H](NCc2cc[nH]c2)C1 363858455 MINYDNMNONSYOT-AWEZNQCLSA-N 270.336 1.414 0 50 CDAA O=C(N[C@H]1CC[S@@](=O)C1)c1csc(C2CC2)n1 332945496 NQQAEMSUCBKDID-WNWIJWBNSA-N 270.379 1.271 0 50 CDAA CN1CCC(C(=O)NCCN(C)c2ccccc2)CC1 71385363 XOVKYGMVIHLVMP-UHFFFAOYSA-N 275.396 1.581 0 50 CDAA CN(C)C1(CNC(=O)c2ccc(F)c(F)c2)CCOCC1 73322683 SNEWNVUROYEMCD-UHFFFAOYSA-N 298.333 1.805 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cccc(-n2ccnc2)c1 237527531 FSUVVGMIOJYYIJ-JSGCOSHPSA-N 284.363 1.824 0 50 CDAA C[C@@H](C(=O)O)N(C(=O)Cn1ncc2ccccc21)C1CC1 262645598 QYJKKXRACLZUIT-JTQLQIEISA-N 287.319 1.500 0 50 CDAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1ccoc1 334541744 SEIJACHYVIGEJZ-AWEZNQCLSA-N 284.315 1.526 0 50 CDAA CN[C@H](C)CNC(=O)c1cc(F)cc2nccnc12 261831697 VLIUIQJKDCGVEU-MRVPVSSYSA-N 262.288 1.107 0 50 CDAA O=C1C[C@H](C(=O)N2CC(Cc3ccccc3F)C2)CCN1 370503112 OLKOJZTWSVZREE-CYBMUJFWSA-N 290.338 1.353 0 50 CDAA CCCCc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 71439342 GBYCCXJIEUFNOW-LLVKDONJSA-N 297.424 1.690 0 50 CDAA CC(=O)N1CCC[C@@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 334900967 PWPITRUVNREUME-GFCCVEGCSA-N 290.298 1.651 0 50 CDAA NS(=O)(=O)N1CCCn2c(cc3ccccc32)C1 335229563 AVFBZRAFHKXNPM-UHFFFAOYSA-N 265.338 1.051 0 50 CDAA CCn1nc(C)c(CNC(=O)/C=C/CN(C)C)c1C 491847771 MLQGZEQVTLWWOT-BQYQJAHWSA-N 264.373 1.254 0 50 CDAA Cc1nccn1CC1CCN(C(=O)c2nccn2C)CC1 216225975 DOFSMIMZEGZETJ-UHFFFAOYSA-N 287.367 1.477 0 50 CDAA CC(=O)N1CCC(CCC(=O)NCc2cscn2)CC1 172927073 HLHVASFTRLNHKS-UHFFFAOYSA-N 295.408 1.798 0 50 CDAA CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 336609759 FSHULJWTLDXVEJ-VXGBXAGGSA-N 266.385 1.797 0 50 CDAA CN(CC(F)F)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 493203355 WBXHDJRJEMIVRC-UHFFFAOYSA-N 293.314 1.512 0 50 CDAA C[C@@H]1CN(Cc2csc(CC(=O)N(C)C)n2)CCC1=O 283141977 OCXVCIFPVYRRLZ-SNVBAGLBSA-N 295.408 1.185 0 50 CDAA Cc1ccnc(N2CC[C@@H](Oc3cccnc3)C2)n1 240555622 GWQQLNPJNROYGS-CYBMUJFWSA-N 256.309 1.838 0 50 CDAA CC(C)(CCNc1ncnc(-n2cccn2)c1N)C(=O)O 263096925 VRWCQXSWJUQPFH-UHFFFAOYSA-N 290.327 1.157 0 50 CDAA COc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)ccc1C(=O)O 263337653 OACQWBMUANDEJI-YUSALJHKSA-N 291.303 1.899 0 50 CDAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N1CCC[C@@H](CCC(=O)O)C1 263419751 KUXUGYCLTXSFHQ-OPDFLTKYSA-N 283.368 1.903 0 50 CDAA CN1CCC(CCC(=O)NCCc2cccc(O)n2)CC1 426387613 HNLMAOCAILVIMC-UHFFFAOYSA-N 291.395 1.568 0 50 CDAA Cn1nccc1[C@@H]1CCC[C@H](NC[C@H](O)[C@H]2CCCO2)C1 527955056 MBRYMOCXHBKDQA-BFJAYTPKSA-N 293.411 1.576 0 50 CDAA C[C@H](NC(=O)N(C)C1CCOCC1)c1cnn(C)c1 337972973 DSURUXPBSLIRIS-JTQLQIEISA-N 266.345 1.302 0 50 CDAA O=C(N[C@@H]1CCOC1)N1CC(c2nc3ccccc3[nH]2)C1 426523268 XFBNXLOYQZMWOJ-LLVKDONJSA-N 286.335 1.461 0 50 CDAA O=C(O)CCCC(=O)N1CC[C@@H](Oc2ccccc2)C1 426470707 PVJIWKGQTQCBFV-CYBMUJFWSA-N 277.320 1.921 0 50 CDAA O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2NCCO[C@H]2C1 426438809 HSCDBDPWDPJNAC-RYUDHWBXSA-N 281.743 1.545 0 50 CDAA Cc1nn(C)c2nc(NCCSc3ncn[nH]3)sc12 95506228 VYPTXNRRRVICKY-UHFFFAOYSA-N 295.397 1.661 0 50 CDAA Cc1nnc(SCCCNC(=O)[C@H](C)N(C)C)s1 426424394 SDBAWIQMKOFBOG-QMMMGPOBSA-N 288.442 1.395 0 50 CDAA O=C(c1cncc(=O)[nH]1)N1CCC(c2ccncc2)CC1 426386275 IQLCOAFZKPOMPH-UHFFFAOYSA-N 284.319 1.185 0 50 CDAA O=C(c1cnc(-c2ccncc2)nc1)N1CCOCC1 95359620 XJSOCOMKCNOCBX-UHFFFAOYSA-N 270.292 1.011 0 50 CDAA c1ccc2[nH]c(C3CN(C[C@H]4CCOC4)C3)nc2c1 97742702 BXAQXGHAKKPOPJ-LLVKDONJSA-N 257.337 1.999 0 50 CDAA CCN(CCO)C(=O)[C@@H](c1cccc(F)c1)N(C)C 95366539 ZXMIGJOVCYJQGN-CYBMUJFWSA-N 268.332 1.269 0 50 CDAA Cc1cc2cc(NC(=O)NCCOCCO)ccc2o1 96141787 BKXJRYGCRYNFBT-UHFFFAOYSA-N 278.308 1.872 0 50 CDAA O=C(Nc1cccc2cnccc12)N1CCOC[C@H]1CO 96131231 NQUNBCYBOJVPPT-GFCCVEGCSA-N 287.319 1.460 0 50 CDAA O=c1cc(CNC2CCOCC2)[nH]c2ccc(F)cc12 91526833 URJOVYIONFXGRN-UHFFFAOYSA-N 276.311 1.936 0 50 CDAA Cc1nn(C)c2nc(N3CCCC[C@@H]3CC(N)=O)sc12 95511738 PSCPVSWQLWJHOQ-SECBINFHSA-N 293.396 1.573 0 50 CDAA Cc1ccccc1OCCCN(C)CCn1cc[nH]c1=O 244899439 ZJZGQDQMHSYRER-UHFFFAOYSA-N 289.379 1.886 0 50 CDAA O=C(NCCc1cn[nH]c1)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 297030524 JWJRPJCXKKWGKG-ZQDZILKHSA-N 286.379 1.806 0 50 CDAA Cn1nc(C(=O)O)c2c1CCN(C[C@H]1CC=CCC1)C2 534592175 IDNBUOWMQSVOQU-NSHDSACASA-N 275.352 1.833 0 50 CDAA O=C(C[C@@H]1CCOC1)NCCCOC1CCCC1 351779585 VIZYKXGRBWXMKV-LBPRGKRZSA-N 255.358 1.879 0 50 CDAA COc1nc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)nn1C 1940197828 VDUPDKFZZRIOQP-MEBBXXQBSA-N 292.383 1.865 0 50 CDAA CC(C)n1ncc(=NC(=O)[C@@H]2COc3ccccc3C2)[nH]1 1940197993 GNTCKGYCSHYNDU-LBPRGKRZSA-N 286.335 1.471 0 50 CDAA COCCc1noc([C@H](C)NC(=O)c2cccc(O)c2)n1 299778237 FXRBAQANKDQLMY-VIFPVBQESA-N 291.307 1.455 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)[C@H](O)C1CCCCC1 584896948 JZGWTZXJVFUQTO-CYBMUJFWSA-N 284.400 1.349 0 50 CDAA CCc1nccn1CCC(=O)NCc1cc(C)no1 823557321 MNSDGVXIACPAKE-UHFFFAOYSA-N 262.313 1.448 0 50 CDAA Cc1ccc2nc(C)c(NC(=O)[C@@H]3CCCNC3)n2c1 585139739 XEEBHVALJNZOEL-GFCCVEGCSA-N 272.352 1.889 0 50 CDAA OC[C@@H]1CCCN(CCNc2cnc3ccccc3n2)C1 670439350 GTHNVFBVWKBFDQ-CYBMUJFWSA-N 286.379 1.746 0 50 CDAA C[C@@H]1CN(C[C@@H](O)COc2ccccc2)C[C@@H](C)O1 14359599 SMXAAYNAUFATPY-MGPQQGTHSA-N 265.353 1.536 0 50 CDAA CC(C)(C)NC(=O)CN1CC[C@@H](Oc2ccncc2)C1 131823214 NXLHZLBPWLHUQZ-CYBMUJFWSA-N 277.368 1.449 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)Nc2cccc(F)c2)[C@H]2C=C[C@H]1O2 239309539 HQZWLGTTYNKBIB-DDHJBXDOSA-N 277.251 1.418 0 50 CDAA CN1CCCN(C[C@@H](O)c2cccc(F)c2)CC1=O 241171045 KDUQWMXGCYUKFG-CYBMUJFWSA-N 266.316 1.023 0 50 CDAA NC[C@@H]1CCCN[C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 757216156 YCCRSESSTVICKV-NAKRPEOUSA-N 265.323 1.244 0 50 CDAA COC(=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)CN1 58041666 IUKCWZAMOFLESG-UWVGGRQHSA-N 272.345 1.052 0 50 CDAA in-vitro Cc1cc(C)c(C(=O)NC[C@H]2CCNC[C@@H]2O)cc1C 1565527168 KUFUIBSIPLOIBQ-HIFRSBDPSA-N 276.380 1.312 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCc2nc(C3CC3)no2)C1 1565511592 JFKNTPAYGHHHAY-ZJUUUORDSA-N 293.323 1.107 0 50 CDAA CCOc1ccc(CNCCN2CCCC[C@@H]2CO)cn1 952972997 QZRPGKCIGRCCSU-OAHLLOKOSA-N 293.411 1.417 0 50 CDAA CC(=O)NCCC(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952966514 KBPLPUDUVYMBFW-MRVPVSSYSA-N 290.323 1.081 0 50 CDAA COc1ccc(S(=O)(=O)NCc2ccsc2)cn1 170616478 MLTLKJWPZCWEOZ-UHFFFAOYSA-N 284.362 1.630 0 50 CDAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NC[C@H]2CC=CCC2)cn1 275636721 SRTCVIPRFVJBQK-BJJXKVORSA-N 288.395 1.686 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNc2cnccn2)C1(C)C 276992301 WABHAGZPSHQHLA-ZWNOBZJWSA-N 251.330 1.455 0 50 CDAA CC[C@@H](NC(=O)c1cccc(OC)c1OC)C(OC)OC 277582949 UFKFYZFOFMGNTA-LLVKDONJSA-N 297.351 1.831 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2SCCc3sccc32)CCN1 188382973 CZVQNSCAZAMBRW-BXKDBHETSA-N 282.434 1.899 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(CN(C)C)ccn1 188918595 ZDFODLVHTWRURH-YPMHNXCESA-N 277.368 1.897 0 50 CDAA NC[C@@H](C(=O)N1CC(OCC(F)F)C1)c1ccccc1 707215324 JSODIVCYZBPTGY-GFCCVEGCSA-N 284.306 1.221 0 50 CDAA c1nc2[nH][nH]cc-2c(=NC[C@@H]2CCC3(CCCC3)O2)n1 653475020 MBCRSBWNKWQFPN-JTQLQIEISA-N 273.340 1.630 0 50 CDAA O=C([C@@H](O)CCc1ccccc1)N1CC(F)(F)C[C@@H]1CO 673226736 IKWOIVKITLKFIK-OLZOCXBDSA-N 299.317 1.209 0 50 CDAA CCn1cc(CN[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 583616504 CNHAWDAZGGOYPP-ZBFHGGJFSA-N 299.378 1.360 0 50 CDAA COC(=O)c1ccccc1Cn1cc2c(n1)CC[C@@H](O)C2 585123048 RUZJTGRNEYPABU-CYBMUJFWSA-N 286.331 1.568 0 50 CDAA CCNc1ncc(C(=O)N[C@H]2CCSC2)cn1 92028982 PZOZINSJDGMIPV-VIFPVBQESA-N 252.343 1.144 0 50 CDAA COc1ccccc1N1CCN(C(=O)[C@H](C)O)[C@H](C)C1 1614302333 ZTUNLNWDOGJPEA-NEPJUHHUSA-N 278.352 1.113 0 50 CDAA CCOc1ccc(CN2C[C@H](O)[C@@H](F)C2)cc1OC 1616116143 LYZBYMXWEBUXQY-RYUDHWBXSA-N 269.316 1.609 0 50 CDAA CCc1nc(CN2CCN(c3ccncc3C)CC2)n[nH]1 1506403491 BUJPOHHWTMPDDU-UHFFFAOYSA-N 286.383 1.393 0 50 CDAA COc1cccc(F)c1C(=O)NCCc1cn[nH]c1 215433639 SYJMXLAILMAEBA-UHFFFAOYSA-N 263.272 1.530 0 50 CDAA CCN1CCC[C@]2(CCCN(CCn3cnnc3C)C2)C1 1506412864 PDDDGCFFKONEOJ-INIZCTEOSA-N 291.443 1.784 0 50 CDAA O=C(O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 169244 XLGNTFOVANBJCQ-UHFFFAOYSA-N 287.312 1.311 0 50 CDAA in-vitro O=C(CC1CC1)N[C@H]1COC[C@H]1Cc1ccncc1 1529168081 VFVZOCYYJGSXOQ-KGLIPLIRSA-N 260.337 1.555 0 50 CDAA Fc1ccccc1OC1CN(CC[C@H]2COCCO2)C1 1800413422 HFTMTUHUIZGERQ-LBPRGKRZSA-N 281.327 1.694 0 50 CDAA O=C(O)[C@@H]1CCN(c2ncccc2C(=O)N2CCCC2)C1 1704307033 QZFFDVDNPVESML-LLVKDONJSA-N 289.335 1.229 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](c2nnc(N)o2)C1 307704680 TYMIDAYCYHUCRZ-ZETCQYMHSA-N 254.290 1.376 0 50 CDAA in-vitro CC(C)n1cccc1C(=O)N1C[C@@H](F)C[C@H]1CO 334427062 WOLRXFOLCQUTFH-QWRGUYRKSA-N 254.305 1.614 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCC[C@@H](NC)C1 133159719 KTHZDWPEOBHMNK-LLVKDONJSA-N 279.384 1.552 0 50 CDAA CCc1cccc(OCCCN(C)c2nnc(CN)o2)c1 1772712896 UGPYPTUWLUCRDP-UHFFFAOYSA-N 290.367 1.996 0 50 CDAA CC[C@]12C[C@@H]1CN(C(=O)Cn1nc3ccccc3n1)C2 1772807890 VKRPTQGZWQNQCG-IAQYHMDHSA-N 270.336 1.690 0 50 CDAA CCOC(=O)c1c[nH]c2c(C)cccc2c1=NCCO 5958519 HHVGRJDHRJAYBT-UHFFFAOYSA-N 274.320 1.546 0 50 CDAA O=C(C[C@@H]1OC(=O)c2ccccc21)N[C@H]1COC2(CC2)C1 1857527060 RJQCHCNKORHCQP-MFKMUULPSA-N 287.315 1.726 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)CNc1cccnc1 1857684207 CUMSGXRLICXHCL-GFCCVEGCSA-N 273.340 1.285 0 50 CDAA Cc1ccc2nc[nH]c(=NCCc3nnc(C)s3)c2n1 1857728567 HUSOWNAASZONKX-UHFFFAOYSA-N 286.364 1.570 0 50 CDAA CCc1nccc(-c2nccn2Cc2nonc2C)n1 1857740766 YPLQEJIGPJEYIC-UHFFFAOYSA-N 270.296 1.642 0 50 CDAA COc1ncc(Br)cc1/C=C/C(=O)O 12359591 AJOCJTKIVWCVMY-NSCUHMNNSA-N 258.071 1.951 0 50 CDAA in-vitro CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(C)nc1 353183975 BFOMRVDHXYKGJD-STQMWFEESA-N 264.325 1.314 0 50 CDAA COc1cncnc1NC(=O)N[C@H](C)C1CCOCC1 253425402 TUWDJYLALDDLBD-SECBINFHSA-N 280.328 1.422 0 50 CDAA CC(C)O[C@H](CN1CC[C@H](C(N)=O)C1)c1ccccc1 585085636 AYRKUGJELCTNCV-LSDHHAIUSA-N 276.380 1.960 0 50 CDAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)[C@H]1CCCOC1 262775303 ARNHRCJIOMHCFF-AAEUAGOBSA-N 295.310 1.537 0 50 CDAA COc1cc2c(N)nc(Cl)nc2c(OC)c1OC 33506296 ZMGPXECXBVFPBO-UHFFFAOYSA-N 269.688 1.891 0 50 CDAA in-vitro C[C@@H]1C[C@@H](C)[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)O1 263574113 NIBHDYJCTCHUIP-OXHZDVMGSA-N 291.347 1.612 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1ccnc1 267486649 VUFHSUCAHMHJAW-DGCLKSJQSA-N 251.330 1.060 0 50 CDAA CC(C)C[C@H](C)OC(=O)N(C)N1CCS(=O)(=O)CC1 952994669 SSRPAKBXZYEHSP-NSHDSACASA-N 292.401 1.135 0 50 CDAA O=S(=O)([C@@H]1CC12CCC2)N1CCCc2n[nH]cc21 1875298641 IDOZJJBGEJMNCF-LLVKDONJSA-N 267.354 1.435 0 50 CDAA O=C(NC1Cc2ccccc2C1)[C@@H]1CC(C2CC2)=NO1 1875293697 ZSHQQTWSAWEJGV-HNNXBMFYSA-N 270.332 1.825 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3CC(F)(F)C3)n[nH]c21 1875293667 YROAFCDDWCJSBR-RQJHMYQMSA-N 285.294 1.959 0 50 CDAA C[C@H](C(=O)NS(C)(=O)=O)c1ccc2[nH]ccc2c1 1875382558 GXFLEKMTINYHRN-QMMMGPOBSA-N 266.322 1.347 0 50 CDAA CC(C)n1ccnc1NC(=O)c1cnc2cccnn12 1875345325 WEQYLTYIWHZLBC-UHFFFAOYSA-N 270.296 1.759 0 50 CDAA Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@]34OCC[C@@H]3C[C@H]24)c1O 1875370583 UWGLHTVOHMONKI-CZFOOCMKSA-N 291.351 1.501 0 50 CDAA CCOC(=O)CN(C)C(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C 878485728 JWCXVSOFAIJZME-TVQRCGJNSA-N 279.340 1.097 0 50 CDAA NC1(CNC(=O)c2cc(-c3ccccc3O)[nH]n2)CCC1 888096189 WZTXTNCILFOTNO-UHFFFAOYSA-N 286.335 1.394 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CCc1cn[nH]c1)C(=O)O 1772717086 VEUQMYLYUKWXKY-VIFPVBQESA-N 269.301 1.320 0 50 CDAA C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(C(=O)O)c1 237462766 LVNHSFPREQHIKR-NXEZZACHSA-N 263.293 1.634 0 50 CDAA C[C@H](NC(=O)C(C)(C)Cc1ccc(O)cc1)c1nc[nH]n1 1775987768 ZINXXEVCLZLXQE-JTQLQIEISA-N 288.351 1.956 0 50 CDAA Cc1cnn(CCC(=O)N2C[C@H]3C[C@@]3(C(F)(F)F)C2)c1 1776002691 NWLPWERIYOVXCA-ZYHUDNBSSA-N 287.285 1.992 0 50 CDAA Cc1nc(NCc2nncn2C(C)C)ncc1C(=O)O 1777523999 YNXMLZUETIYTOS-UHFFFAOYSA-N 276.300 1.268 0 50 CDAA C[C@H](O)C1CCN(C(=O)CCc2ccncc2)CC1 169805630 FEZPKZYRABZXCS-LBPRGKRZSA-N 262.353 1.634 0 50 CDAA O=C(CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)NCC(F)F 252510329 ZHPGHYBTGZPEIB-PZWNZHSQSA-N 272.339 1.782 0 50 CDAA O=C(NC[C@@H]1CCCS1)c1ccn([C@@H]2CCCNC2)n1 261617998 HGHCTBYITVDNRZ-NEPJUHHUSA-N 294.424 1.433 0 50 CDAA O=C(COc1ccccc1)N(C[C@H]1CCCN1)C1CC1 186551808 HRHZCOBLTVEWNJ-CYBMUJFWSA-N 274.364 1.808 0 50 CDAA C[C@H](C[C@@H]1CCC(=O)N1)NCCNC(=O)OC(C)(C)C 309922738 WKSVPRHHQJPGSW-MNOVXSKESA-N 285.388 1.158 0 50 CDAA C[C@H]1OCC[C@@]1(C)NC(=O)c1cccc2[nH]ncc12 329686033 AETDGIHVYFQVFV-YMTOWFKASA-N 259.309 1.860 0 50 CDAA O=C(O)c1cccc(C(=O)N2CCO[C@@H](C3CC3)C2)c1 426470629 NULKIDCZCUJIST-CYBMUJFWSA-N 275.304 1.636 0 50 CDAA C[C@@H](NC(=O)N1CCC(O)CC1)c1ccc(O)cc1 534591459 FAIJSMOZHBQACG-SNVBAGLBSA-N 264.325 1.620 0 50 CDAA O=C(CC1CCNCC1)N[C@H]1COC2(CCCCC2)C1 534640854 BMCXMMHJJHLTKR-CQSZACIVSA-N 280.412 1.984 0 50 CDAA N=C(O)[C@@]1(O)CCCN(C(=O)C2CCC(F)(F)CC2)C1 334180378 AUJDXAXYNZYMHV-GFCCVEGCSA-N 290.310 1.701 0 50 CDAA NCCn1cc(C(=O)NCCCC2CCCCC2)nn1 577748321 VAYDRRSPGRNFSH-UHFFFAOYSA-N 279.388 1.327 0 50 CDAA O=C(c1cnc2ccccc2n1)N1C[C@@H](O)C2(CC2)C1 372422439 QAZMDUTYAJQEHA-CYBMUJFWSA-N 269.304 1.227 0 50 CDAA O=C(N[C@]12CCC[C@H]1NCC2)c1cccn2nccc12 723512021 GKOIVJQGGJSLJR-HIFRSBDPSA-N 270.336 1.349 0 50 CDAA O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 970256 IANASADILZBMMA-KCJUWKMLSA-N 285.752 1.490 0 50 CDAA COc1ccc(-c2nc(C(F)(F)F)n(C)n2)cn1 2100540253 GDMLYEZAQSAVMN-UHFFFAOYSA-N 258.203 1.905 0 50 CDAA O=C(c1cnc2cccnn12)N1CCc2ccccc2CC1 1617615762 OFXOJLPGDYHNIS-UHFFFAOYSA-N 292.342 1.970 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@](C(=O)O)(n2ccnc2)C1 953091131 LPHASVVMTCCPBO-AWEZNQCLSA-N 295.339 1.694 0 50 CDAA CCS(=O)(=O)c1ccsc1S(=O)(=O)CC 42377 DDTUPDVBSKQOHF-UHFFFAOYSA-N 268.381 1.335 0 50 CDAA COc1cc(C=O)ccc1OCC(=O)N1CCCCC1 59498 QERYIRKWVQKWFT-UHFFFAOYSA-N 277.320 1.899 0 50 CDAA biogenic,in-vitro O=C(O)CS(=O)(=O)c1nc2ccccc2s1 65275 ALZSCKYYEUSOFK-UHFFFAOYSA-N 257.292 1.155 0 50 CDAA Nc1ccc(Cc2ccc(N)c(C(=O)O)c2)cc1C(=O)O 347039 QRUWUSOUUMPANJ-UHFFFAOYSA-N 286.287 1.838 0 50 CDAA biogenic,in-vitro CC1=NN(C(=O)c2ccc(O)cc2)[C@](O)(C(F)(F)F)C1 350757 AYJJKIJNVWYNTL-LLVKDONJSA-N 288.225 1.865 0 50 CDAA CC[C@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O 456322 FTMCEUVHVKZKJJ-VIFPVBQESA-N 260.293 1.197 0 50 CDAA COC(=O)Cc1cc2c(cc1Br)OCO2 1716386 VHCPOFMALDWFNZ-UHFFFAOYSA-N 273.082 1.893 0 50 CDAA CCCCNC(=O)C(=O)NC[C@@H]1OCCc2ccccc21 2501401 XUGMVGFFHYXMTC-AWEZNQCLSA-N 290.363 1.333 0 50 CDAA O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1ccccc1 2942902 WFJMVNINHWUHKT-AWEZNQCLSA-N 284.315 1.475 0 50 CDAA C[C@H](C(=O)NC(C)(C)C)N(c1ccccc1)S(C)(=O)=O 2989435 OJUFVMKIAZOPGZ-LLVKDONJSA-N 298.408 1.756 0 50 CDAA O=C(N[C@H]1CCS(=O)(=O)C1)OC1CCCCC1 4064246 WLFUGUVCTRHFEO-VIFPVBQESA-N 261.343 1.232 0 50 CDAA CCNC(=O)C(C)(C)NC(=O)[C@H]1C[C@@H]1c1ccccc1 413859337 KFGPHSHVYONXRF-OLZOCXBDSA-N 274.364 1.821 0 50 CDAA Nc1nnc(CCNC(=O)[C@@H]2CCc3ccccc32)o1 225465897 IHYSQJZVNZJJSS-LLVKDONJSA-N 272.308 1.041 0 50 CDAA C[C@@H]1CN(Cc2ncc(C3OCCO3)s2)C[C@@H](C)O1 225637466 WUFCTOCODUDAOX-NXEZZACHSA-N 284.381 1.798 0 50 CDAA O=c1cc(I)cnn1-c1ccccc1 225653339 VFMUSEAHUHVHOG-UHFFFAOYSA-N 298.083 1.837 0 50 CDAA Cc1ccoc1CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 343621374 ZRJCJEANYJRSEP-GFCCVEGCSA-N 290.363 1.995 0 50 CDAA CC(C)N1CCC(C(=O)N(C)CC2CCOCC2)CC1 179869309 MUGRBOXACDKVMQ-UHFFFAOYSA-N 282.428 1.992 0 50 CDAA CCCCNC(=O)c1c(O)c2ccccc2n(C)c1=O 100534623 GSRDLFHEXRWLMZ-UHFFFAOYSA-N 274.320 1.774 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1nc2c(s1)CCCC2 67895205 PHBXWPFDMQXLQS-QWRGUYRKSA-N 296.392 1.556 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2CCOC(C)C)n1 346478469 DUXGKAKPZMWQOY-PWSUYJOCSA-N 269.345 1.565 0 50 CDAA CN(Cc1cccc(-c2cn[nH]c2)c1)C[C@@H]1COCCO1 20598716 AKJYMCSXTJYACP-MRXNPFEDSA-N 287.363 1.924 0 50 CDAA C[C@@H]1OCCN(CCCN2CCO[C@H](C)[C@@H]2C)[C@H]1C 139280501 XVCHFYDJCOZHCD-ZQDZILKHSA-N 270.417 1.595 0 50 CDAA Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(C(=O)O)cc1 61720103 FREKEPHAMGUJOZ-SNVBAGLBSA-N 271.276 1.592 0 50 CDAA COc1cc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)ccc1C 330539765 VHSJTIISBHDIBF-KBPBESRZSA-N 292.379 1.339 0 50 CDAA CCNC(=O)C1(NC(=O)C2CCCC2)CCCC1 252499428 SALDWEGNZDXDTH-UHFFFAOYSA-N 252.358 1.742 0 50 CDAA OCC1(O)CCN(Cc2noc(-c3ccccc3)n2)CC1 67490417 UOHQLXCQHVRGHB-UHFFFAOYSA-N 289.335 1.056 0 50 CDAA COCCC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 77355974 JSDCGJLKRSINEA-NSHDSACASA-N 279.340 1.049 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1ccncc1F 328640146 XFGTWNAVAXAHAZ-LLVKDONJSA-N 288.326 1.752 0 50 CDAA CC(C)CCN1CCC[C@@H]1c1nc(C(N)=O)no1 328648464 UPHBATFMIPVOCN-SECBINFHSA-N 252.318 1.352 0 50 CDAA O=C(O)Cn1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)n1 123049612 NOUVKVRTJQBMDS-YFKPBYRVSA-N 278.095 1.100 0 50 CDAA Cc1cncc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)c1 123182389 SNCTUKOXIIULGU-UHFFFAOYSA-N 298.408 1.675 0 50 CDAA CSCCC(=O)N(C)[C@H](C)Cc1cnccn1 219129468 ALMIIHXLJIHEGW-SNVBAGLBSA-N 253.371 1.619 0 50 CDAA N=c1ccc2c(N[C@H]3CCC(O)=N[C@H]3C3CC3)ncnc2[nH]1 329223077 XKIPEGFCSWQEPT-GWCFXTLKSA-N 298.350 1.747 0 50 CDAA O=C(c1ccc(Cl)o1)N1CCOC[C@@H]1c1ncon1 331510683 CACJQRIPZLIVSV-SSDOTTSWSA-N 283.671 1.530 0 50 CDAA O[C@@]1(CNC2CCN(c3ccccc3F)CC2)CCNC1 72423412 GAHCFKULHYCJHG-INIZCTEOSA-N 293.386 1.109 0 50 CDAA Cc1nc(N(C)C[C@H]2CCCN2C)c2c(C)nn(C)c2n1 72438068 AFXHVTLNYFGBEC-GFCCVEGCSA-N 288.399 1.511 0 50 CDAA C[C@@H](Cn1cncn1)n1cnc2sccc2c1=O 32581059 JZHVSGMPDFNYJQ-QMMMGPOBSA-N 261.310 1.311 0 50 CDAA C[C@](N)(C(=O)N1CCO[C@@H](c2ccccc2F)C1)C1CC1 237380434 VUCMDUWKACOOQB-GDBMZVCRSA-N 292.354 1.853 0 50 CDAA CCCc1nc(C)cc(N2CCOC[C@H](CN(C)C)C2)n1 72140045 CMYRELXECXRAIA-CQSZACIVSA-N 292.427 1.752 0 50 CDAA Cc1o[nH]c(=NC(=O)NC[C@@H]2CCCC[C@H]2O)c1C 334724884 JXCQUVZSGWBDOW-WDEREUQCSA-N 267.329 1.386 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCN[C@H](c2ccncc2)C1 374374849 OIZJJDWLCVPPGM-HNNXBMFYSA-N 299.378 1.137 0 50 CDAA O=C(N=c1cc[nH]cc1)N1CCC[C@@H]1[C@@H]1CCCOC1 335394044 GMADRCMARLGLCD-TZMCWYRMSA-N 275.352 1.926 0 50 CDAA CS(=O)(=O)NCCNC(=O)Nc1ccccc1Cl 43146917 KFHNAENTSWABGF-UHFFFAOYSA-N 291.760 1.011 0 50 CDAA Fc1cccc(CN2CCN(C[C@@H]3CCNC3)CC2)c1 72147148 CZXNNQRFPTYYRB-OAHLLOKOSA-N 277.387 1.553 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc3nc(C)ccc3c2)C1 284458719 CKSCJJQJEXAXSH-HOCLYGCPSA-N 299.374 1.618 0 50 CDAA Cc1cc(C(=O)NCCSc2cn[nH]n2)c(C)o1 221270841 SOLSVGRPVMHFMK-UHFFFAOYSA-N 266.326 1.537 0 50 CDAA Cc1noc(C)c1CCCNC(=O)C[C@@H]1CCOC1 426620277 RCEOSYXVJUVTLF-LBPRGKRZSA-N 266.341 1.767 0 50 CDAA O=C(NCc1cccc2[nH]ccc12)N1CC[C@@H](O)C1 426632927 UKCOKIBVWLCQEA-LLVKDONJSA-N 259.309 1.444 0 50 CDAA COC[C@@H]1CCCN1C(=O)NCCc1cccnc1 426705958 XUJBUZPMGRBSOV-ZDUSSCGKSA-N 263.341 1.445 0 50 CDAA C[C@H](c1ccccc1)N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 227121254 VPTURGDGEBLVCX-ADEWGFFLSA-N 296.417 1.897 0 50 CDAA CC1(C)C[C@H](C(=O)NCCNc2cccnc2)CCO1 97757808 AOAIXBWFTKUNFE-GFCCVEGCSA-N 277.368 1.815 0 50 CDAA CC(=O)N1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95522220 COSYVXTYONABNR-HNNXBMFYSA-N 288.391 1.792 0 50 CDAA C1CCC(N2N[C@@H]2[C@H]2NN2C2CCCCC2)CC1 239297081 DSHDNRNNEKAYLE-DIOPXHOYSA-N 250.390 1.944 0 50 CDAA O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc[nH]c1 91778410 MRDCZPZVCQIMNF-LBPRGKRZSA-N 285.351 1.451 0 50 CDAA O=C(CC(=O)N1CCOCC1)c1ccc2ccccc2c1O 95802903 XLYNCLHLJSVBNW-UHFFFAOYSA-N 299.326 1.977 0 50 CDAA CN1CCC[C@]2(CCN(Cc3cc(C(N)=O)cs3)C2)C1 293671995 OXLOUNRGJGBDDJ-HNNXBMFYSA-N 293.436 1.765 0 50 CDAA CC(C)Oc1ccccc1OCCN1C(=O)CCNC1=O 95529334 SKZBLRNZILCHFU-UHFFFAOYSA-N 292.335 1.795 0 50 CDAA Cc1ccc(CN(C)C(=O)NC[C@H]2CC[C@@H](CO)O2)o1 293917538 AUBDHASZVDTQEA-YPMHNXCESA-N 282.340 1.269 0 50 CDAA Cc1nc(Cn2ccnn2)n(CCc2ccccc2)n1 96149894 XESUPUUKXXXALR-UHFFFAOYSA-N 268.324 1.469 0 50 CDAA O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ncc[nH]1 524735049 QQCACFCHXSBCNI-UHFFFAOYSA-N 289.343 1.376 0 50 CDAA COCc1nc(N2CCC(F)CC2)cc([C@H]2C[C@@H](N)C2)n1 252537310 KXXIUINZZPCZHN-KLPPZKSPSA-N 294.374 1.766 0 50 CDAA CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1cc[nH]c(=O)c1 184824079 NCHOLGHJIJGCBA-STQMWFEESA-N 278.352 1.698 0 50 CDAA O=C(CN1CCOCC1)N1CCC[C@H]1Cc1ccccc1 298043376 MDLUXIUFHVJYTR-INIZCTEOSA-N 288.391 1.552 0 50 CDAA CC(C)COc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1 299747024 BWELRUUBCSAIJX-KGLIPLIRSA-N 292.379 1.060 0 50 CDAA COc1nccnc1NCC1(Cn2cccn2)CC1 534582590 TVCMTJCQPOINLX-UHFFFAOYSA-N 259.313 1.574 0 50 CDAA O=C(NCCCc1nc2ccccc2s1)[C@@H]1C=CCN1 534653606 ZEGUQUKDYPTHOB-LBPRGKRZSA-N 287.388 1.873 0 50 CDAA CC(C)(CN1CCCCCC1)NC(=O)C1(C)COC1 534644171 GVVHZQPWIJALHK-UHFFFAOYSA-N 268.401 1.794 0 50 CDAA O=C(O)CNc1ncc(CN2CCCCCC2)cn1 534631897 WNHPZDNXOCOPDF-UHFFFAOYSA-N 264.329 1.349 0 50 CDAA CC(C)c1ccc(=N[C@@H](C)CN2CCOCC2)[nH]n1 534672306 ZBZBXDJDRAWDME-LBPRGKRZSA-N 264.373 1.155 0 50 CDAA Cc1cc(C(=O)NCCc2nnc(C)s2)nc(C)n1 356788246 ZXHWJNXZQYUHIC-UHFFFAOYSA-N 277.353 1.226 0 50 CDAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)C1CCCCC1 534644768 UFPUIRVRIJTYHG-GJZGRUSLSA-N 280.412 1.936 0 50 CDAA C[C@@H](Cn1cncn1)NCCOc1cccc(C(=O)O)c1 534578230 KDROXUIANRLPNB-NSHDSACASA-N 290.323 1.033 0 50 CDAA CC(C)(C)OC(=O)N1CCn2nc(CCC(=O)O)cc2C1 261361192 YZPHGJOCUYJUHZ-UHFFFAOYSA-N 295.339 1.651 0 50 CDAA c1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1 54302560 MRLNIEQQXJESRV-UHFFFAOYSA-N 294.362 1.447 0 50 CDAA CC[C@@H]1CCCCN1CC(=O)NCC1CCN(C)CC1 822718135 OZDCEQMPELCORB-OAHLLOKOSA-N 281.444 1.709 0 50 CDAA CC[C@@H](NC(=O)C(C)(C)OC)c1ncnn1CC 822667752 INGYBDYKLDSOJH-SECBINFHSA-N 254.334 1.290 0 50 CDAA COc1cc(CN2CCN(C)[C@H](CCO)C2)ccc1F 828747289 VFCXKQVIVZDEQC-CYBMUJFWSA-N 282.359 1.333 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)O)N(C(=O)[C@H]2CC=CCC2)C1 585134163 GIPFKQRQKRKPMG-HBNTYKKESA-N 281.308 1.119 0 50 CDAA CCc1noc(CN(C)C(=O)Cc2c(C)noc2C)n1 584899724 QOMHFYLEPOJECT-UHFFFAOYSA-N 278.312 1.438 0 50 CDAA O[C@]1(c2ccccc2)CCN(Cc2nc3ncccn3n2)C1 670439503 FEDYHZJYYCCKLU-MRXNPFEDSA-N 295.346 1.218 0 50 CDAA Cn1nccc1CN1CCN(C(=O)OC2CCCC2)CC1 1434664002 VBFYTEOHZFFHAE-UHFFFAOYSA-N 292.383 1.617 0 50 CDAA CC(C)[C@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 958528422 OPCBBJZQVXDNLK-GWCFXTLKSA-N 258.362 1.342 0 50 CDAA CCc1csc(CNC(=O)/C=C/c2cnc(N)nc2)n1 952864139 IOOPOQMBQATIES-ONEGZZNKSA-N 289.364 1.407 0 50 CDAA CCCc1ncncc1C(=O)N[C@H]1CCC[C@@H]1N(C)C 1565528826 QRSOOWVRJIEXTD-KBPBESRZSA-N 276.384 1.642 0 50 CDAA CCC[C@H]1CN(C(=O)c2ccc(OC)o2)C[C@@H]1C(=O)O 1565512166 XOCYARNJDYVIFX-UWVGGRQHSA-N 281.308 1.861 0 50 CDAA O=C(Nc1cccc2nc(O)[nH]c12)[C@H]1CCCOC1 408517341 HMZZOVBIBYEKDC-QMMMGPOBSA-N 261.281 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CN(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 858967 VLEJSVXWQQVRQO-UONOGXRCSA-N 282.409 1.838 0 50 CDAA Cc1cnc(CN(C)C(=O)c2c(C)nn(C)c2C)[nH]1 216321642 FKJVMRMEGAGTBL-UHFFFAOYSA-N 261.329 1.341 0 50 CDAA CCOC(=O)C(=O)N1CCN(c2ccccc2F)CC1 2756171 AYWCQVQXCYTUKK-UHFFFAOYSA-N 280.299 1.037 0 50 CDAA CC[C@H](Oc1ccccc1)C(=O)NCCCOC 2821331 UCENVYODPIGKBJ-ZDUSSCGKSA-N 251.326 1.997 0 50 CDAA CN(C)CCc1nnc(NC(=O)C2CCOCC2)s1 1529196400 ZKSQHAKLYUMTFH-UHFFFAOYSA-N 284.385 1.007 0 50 CDAA CCS(=O)(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1 1704298407 JJSHYXBJDRLBOR-NEPJUHHUSA-N 261.387 1.617 0 50 CDAA CC(=O)c1cnc(N2CCN(CC3CCC3)CC2)nc1C 1704312888 DNFXFRJRAFXGPF-UHFFFAOYSA-N 288.395 1.910 0 50 CDAA Cc1cc(C[C@@H]2CN(c3ncnc(C)c3C)C[C@H]2O)n[nH]1 1704338929 AJEHKFGBANJOEI-TZMCWYRMSA-N 287.367 1.165 0 50 CDAA CCn1ncc(Cl)c1C(=O)N(C)CCC(=O)O 621536028 XGZPJIUNJUJLOE-UHFFFAOYSA-N 259.693 1.103 0 50 CDAA CCN(CC)S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 230156461 KALUAQDBLQJATF-NEPJUHHUSA-N 276.402 1.216 0 50 CDAA Cc1cc(C)c(C(=O)NCc2nc(C(=O)O)cs2)o1 124244045 SHJUICIXZFPFKB-UHFFFAOYSA-N 280.305 1.981 0 50 CDAA C[C@@H](NC(=O)CCc1ccccc1Cl)[C@@H](O)C(=O)O 1875308596 NRMONJQZHSVVEX-PRHODGIISA-N 285.727 1.223 0 50 CDAA NCC12CCC(CC1)CN2S(=O)(=O)c1ccsc1 568244486 NFSNUJGCXOJFNR-UHFFFAOYSA-N 286.422 1.640 0 50 CDAA CCOC(=O)c1ccc2nc(Br)nn2c1 261124619 IECJGRNGGDGWAR-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA O=C(Cn1cc2ccccc2n1)N1CCC[C@H](C2(O)CC2)C1 1772815654 RBPJMECPWHPEEN-AWEZNQCLSA-N 299.374 1.800 0 50 CDAA CNc1ccc(C(=O)NC[C@@H]2CCN(CC(C)C)C2)cn1 11946814 HNWQDCMSVCQCSF-ZDUSSCGKSA-N 290.411 1.831 0 50 CDAA CC(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 12379589 TYCFQQBQHJCNPJ-UHFFFAOYSA-N 282.727 1.771 0 50 CDAA Cc1nc(C)n(C[C@H](C)NC(=O)c2cccs2)n1 12420463 JHIBMQPQVPWPMY-QMMMGPOBSA-N 264.354 1.775 0 50 CDAA CCOc1ccc(Cc2n[nH]c(=S)n2N)cc1 18127754 GAZVCXWBDFGXGD-UHFFFAOYSA-N 250.327 1.644 0 50 CDAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CCSCC1 161170805 ANNSGIJODWILHP-UHFFFAOYSA-N 268.338 1.519 0 50 CDAA CCCC[C@@H]1CN(C(=O)c2cc(=N)[nH][nH]2)C[C@H](C(C)C)O1 1875246171 JMUZBWMWGSLNMX-DGCLKSJQSA-N 294.399 1.878 0 50 CDAA CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 261902 RUUWUOYPIXTMLF-KCJUWKMLSA-N 261.277 1.782 0 50 CDAA in-vitro CCn1ccnc1[C@H]1CCCCN1C(=O)[C@@H]1CCOC1 239782372 COBOKRIYANASJX-CHWSQXEVSA-N 277.368 1.993 0 50 CDAA O=c1c2cc(F)ccc2ncn1C[C@]1(O)CCCOC1 656701521 WMLNFESYPHXKJJ-CQSZACIVSA-N 278.283 1.077 0 50 CDAA C[C@H](Cc1ccccc1)C(=O)NCc1nccc(N)n1 131589873 GEEXYYOFEXCHEV-LLVKDONJSA-N 270.336 1.554 0 50 CDAA CCn1cc(O[C@@H]2COC[C@@H]2NCc2ccco2)cn1 818230083 CQZITFZRDIBHQG-UONOGXRCSA-N 277.324 1.432 0 50 CDAA C[C@H](c1nc(CC(=O)Nc2ccc(F)cc2)no1)[C@@H](C)N 823015930 MGTKIQJECHUAOE-DTWKUNHWSA-N 292.314 1.841 0 50 CDAA CC(C)c1noc(Cn2c3ccccc3c(=O)n2C)n1 931248822 WAVHIXPYTHTJJB-UHFFFAOYSA-N 272.308 1.895 0 50 CDAA CCc1nn(C)c(Cl)c1C(=O)N1Cc2cncnc2C1 848164762 BZGKKYZAUYXBSQ-UHFFFAOYSA-N 291.742 1.582 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 860466669 VLAJUDALAKVPDF-LBPRGKRZSA-N 290.367 1.334 0 50 CDAA O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)O[C@H]1CNOC1 864094558 XYXRTXBUHXCGTP-CIUDSAMLSA-N 282.262 1.737 0 50 CDAA C[C@@H]1C[C@H](NC(=O)CN)CCN1Cc1ccccc1 237439201 NYYPJJIRMCVJRT-TZMCWYRMSA-N 261.369 1.114 0 50 CDAA C[C@@H]1CCC[C@H](Cn2nnnc2N2CCOCC2)C1 952876156 CXWFAHGJOQAMMI-NEPJUHHUSA-N 265.361 1.336 0 50 CDAA C[C@H](Cc1ccno1)NC[C@@](C)(O)C(=O)OC(C)(C)C 952995709 WDPDXUXBWCUKNO-QMTHXVAHSA-N 284.356 1.288 0 50 CDAA Cc1cc(C2CN(C(=O)N[C@H](C)c3cn[nH]c3)C2)no1 1875303845 QAGIMSFHLWBVGA-SECBINFHSA-N 275.312 1.576 0 50 CDAA C=CC(=O)N1CCC(C(=O)Nc2cnn(C)c2C)CC1 1875369479 QNKSUBXPCVNMKZ-UHFFFAOYSA-N 276.340 1.092 0 50 CDAA Cn1ncnc1Cc1noc([C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)n1 1875305584 FWAFCKZWEDMJHD-HRDYMLBCSA-N 295.293 1.938 0 50 CDAA CC1(C)OC[C@@H]2C[C@@]21NC(=O)/C=C/CN1CCCC1 1875337980 KZHYADGMPQJPSS-UCNGNXAWSA-N 264.369 1.322 0 50 CDAA C=CC(=O)N1CC(C(=O)N2CCC=C(c3ccccc3)C2)C1 1875387467 JJCBKDJVYXVOQE-UHFFFAOYSA-N 296.370 1.947 0 50 CDAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@H]1CCCS1 1875311220 QOZQPVUWYPTACR-MQIGXGKASA-N 255.339 1.107 0 50 CDAA CO[C@@H]1CN(Cc2ccc(C)o2)C[C@H]1c1cn(C)nn1 886094218 VKDYNMUZNKJVCQ-GXTWGEPZSA-N 276.340 1.331 0 50 CDAA O=C(N[C@H]1c2ccccc2CC[C@H]1O)c1cnn2c1CCC2 886712291 ZUHPFLJYFVHLRF-CVEARBPZSA-N 297.358 1.608 0 50 CDAA CC(C)c1nocc1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 886988335 KDSFUQRPIPBGOX-VXGBXAGGSA-N 294.351 1.458 0 50 CDAA COc1ccnc(NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)n1 888094287 HOEKDLJEHGLOMQ-ONGXEEELSA-N 290.327 1.101 0 50 CDAA O=S(=O)(NCCC(F)(F)F)c1n[nH]c2ncccc12 1775985020 PYCYFIGWJHCEHY-UHFFFAOYSA-N 294.258 1.189 0 50 CDAA c1cc(-c2cn(CCO[C@H]3CCOC3)nn2)ccn1 899736142 VICIJNIOPMKMJC-LBPRGKRZSA-N 260.297 1.146 0 50 CDAA CCN(CC)C(=O)c1ccccc1N1CCN(C)CC1 1186879494 GQUYXPVMCSOYBK-UHFFFAOYSA-N 275.396 1.920 0 50 CDAA O=C(c1cncnc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 281908892 GNZIKZWFCLWPJE-MGPQQGTHSA-N 275.352 1.632 0 50 CDAA CN(C)c1ncc(CN2C[C@@H](CO)OC(C)(C)C2)s1 421358132 AZDQOQZHBBUWDM-JTQLQIEISA-N 285.413 1.181 0 50 CDAA COCC[C@H]1CN(Cc2cnc(C)cn2)CCO1 670438502 ZWNJXNJPFLGGFN-ZDUSSCGKSA-N 251.330 1.022 0 50 CDAA CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](O)C2)C1 685939577 DIYLKMAGGDEWFP-IJLUTSLNSA-N 272.414 1.827 0 50 CDAA CCOc1ccccc1NC(=O)C(=O)NCC(C)C 2966063 WOTRHRPRKOEGNY-UHFFFAOYSA-N 264.325 1.796 0 50 CDAA O=C(NCCCn1ccnn1)c1cccc2ncsc12 2100540087 CKJBYQZNZUYRFP-UHFFFAOYSA-N 287.348 1.708 0 50 CDAA CCC[C@@]1(CO)CN(Cc2cccc(O)c2)CC[C@H]1O 2100557485 VGCNISWTQKKOHJ-CVEARBPZSA-N 279.380 1.738 0 50 CDAA O=C(N=c1cc2n([nH]1)CCC2)c1cc2c(cn1)CCCC2 2325766691 UYKPNBVXNBEBLT-UHFFFAOYSA-N 282.347 1.777 0 50 CDAA CN(C)c1ncccc1CNC(=O)C[C@H]1C=C[C@@H](N)C1 2325797639 JXZQCVMBTWMBRK-WCQYABFASA-N 274.368 1.057 0 50 CDAA Cc1ccc(=NCCC(=O)Nc2c[nH]nc2C2CC2)[nH]c1 2325804711 JXYJNURWXSIFQE-UHFFFAOYSA-N 285.351 1.853 0 50 CDAA O=C(NCCn1cnc2ccsc2c1=O)c1ccccc1 2325842610 CCOVNRADPRRQJE-UHFFFAOYSA-N 299.355 1.888 0 50 CDAA CCCC(=O)NS(=O)(=O)c1nc2ccccc2s1 888099786 XJLLXVNAZNYEKR-UHFFFAOYSA-N 284.362 1.901 0 50 CDAA COc1ccc(S(=O)(=O)N[C@@H]2CCSC2=O)cc1 64647 DYYWNIYPXGBOPS-SNVBAGLBSA-N 287.362 1.006 0 50 CDAA COCCNC(=O)COc1ccc2ccccc2c1 2664958 UUMYPUDZXQPJQL-UHFFFAOYSA-N 259.305 1.981 0 50 CDAA Cc1ccccc1CNC(=O)C(=O)NCCc1ccccc1 2812379 PBTLBOWPRIPCOO-UHFFFAOYSA-N 296.370 1.970 0 50 CDAA CCNS(=O)(=O)c1ccc(CCC(=O)NC2CC2)cc1 2873121 GOOVYZKOLWKWOF-UHFFFAOYSA-N 296.392 1.196 0 50 CDAA CC(C)(C)[C@@]1(O)CC(=O)C(=O)NN1c1ccccc1 2924182 LMRWUHILWNZPSC-AWEZNQCLSA-N 262.309 1.232 0 50 CDAA COC(=O)c1c(NC(C)=O)sc(C(=O)N(C)C)c1C 6254124 IFQQCWOQBOKOHE-UHFFFAOYSA-N 284.337 1.503 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)n1nc(C)c(Cl)c1C 6731639 DZZTWOHPPCYMNS-UHFFFAOYSA-N 288.760 1.432 0 50 CDAA C[C@H]1Cc2cc(C(=O)NC3CC3)ccc2N1S(C)(=O)=O 8077248 WOMWZNKOCFASBB-VIFPVBQESA-N 294.376 1.289 0 50 CDAA CCOC(=O)C(=O)/N=c1/[nH]c2ccccc2s1 8969634 JQWLWTCFGLPVHG-UHFFFAOYSA-N 250.279 1.220 0 50 CDAA COCCN(CC(=O)O)C(=O)[C@H]1CCOc2ccccc21 111185406 JRBKEJVGPRUUOY-LBPRGKRZSA-N 293.319 1.112 0 50 CDAA COc1nnc(NC(=O)c2cccc(N(C)C)c2)s1 225575428 CFVWBCLXADEXRP-UHFFFAOYSA-N 278.337 1.865 0 50 CDAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 59740059 ODIZLFSYOUQUKK-LBPRGKRZSA-N 266.385 1.894 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1Cc1ncc(C2CC2)o1 344356827 CMINUONUFWCLBV-RYUDHWBXSA-N 266.341 1.788 0 50 CDAA CC(C)c1cc(C(=O)NCCn2nnc3ccccc32)no1 65373452 XSTLQECDSADZLP-UHFFFAOYSA-N 299.334 1.973 0 50 CDAA CCCCn1cc(C2=CCN(CCNC(N)=O)CC2)cn1 67757202 VCPHCGXRXARIOG-UHFFFAOYSA-N 291.399 1.441 0 50 CDAA C=CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 142324927 FMLMFDNMNVOSIZ-UHFFFAOYSA-N 271.320 1.679 0 50 CDAA C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 252478954 AYAUAKRUMILIJY-RWMBFGLXSA-N 292.354 1.613 0 50 CDAA O=C(NCCCn1cncn1)c1ccccc1N1CCCC1 65488724 WBVRYPIROAELIF-UHFFFAOYSA-N 299.378 1.698 0 50 CDAA COC(=O)[C@H](C)N1C[C@@H]2CN(C)[C@@H](c3ccccc3)[C@H]2C1 252673681 RJVMIGKQMVHTQG-TUUVXOQKSA-N 288.391 1.783 0 50 CDAA CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1 129184 AMEKQAFGQBKLKX-UHFFFAOYSA-N 267.306 1.302 0 50 CDAA biogenic,in-vitro Cc1nc(S(=O)(=O)N(C)[C@@H](C)c2ccccn2)cn1C 66102288 GNTCJYFFDXTBQM-JTQLQIEISA-N 294.380 1.505 0 50 CDAA CN(C)C(=O)NCCCCCCNC(=O)N(C)C 1557538 JZGGZNWADMJJCC-UHFFFAOYSA-N 258.366 1.089 0 50 CDAA biogenic O=C(NCc1ccc2nonc2c1)c1cccc2ccnn12 72133898 JNYZWLXQBZSOGG-UHFFFAOYSA-N 293.286 1.801 0 50 CDAA Cc1ccnc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 359303297 PJBJVLFCTDVKRZ-MGPQQGTHSA-N 262.353 1.756 0 50 CDAA Cc1cccnc1C[C@H](C)NC(=O)c1cccc(N)n1 219696636 UXPSOAOMQCGYGP-NSHDSACASA-N 270.336 1.728 0 50 CDAA O=C(O)Cn1cnc2sc3c(c2c1=O)CCCCC3 36366200 QMSBMUIOAYYEJQ-UHFFFAOYSA-N 278.333 1.812 0 50 CDAA CCc1nnc2n1C[C@H](NCc1ncc(Cl)n1C)CC2 366929883 NAIKOYSUMXGVLJ-SECBINFHSA-N 294.790 1.332 0 50 CDAA C[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@@H](C)S1=O 331194927 YOEKHONCVLQJCE-VXGBXAGGSA-N 298.408 1.079 0 50 CDAA COC[C@@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 215472981 CKTUCHUTVOVUDT-CYBMUJFWSA-N 263.337 1.926 0 50 CDAA C[C@H](NC(=O)CCc1nncn1C)C1=CCCCC1 215691105 HEXSHKYPEYSWFX-NSHDSACASA-N 262.357 1.753 0 50 CDAA O=C1NC[C@@]2(CCCN(Cc3ccncc3)CC2)O1 72166542 WULXJEXDKPUCJU-AWEZNQCLSA-N 261.325 1.546 0 50 CDAA CC(C)n1cc(C(=O)N[C@H](CO)Cc2ccccc2)cn1 188538896 BXZSQCMJYSIQRP-HNNXBMFYSA-N 287.363 1.797 0 50 CDAA CCCc1nc(C)c(C(=O)N2CCO[C@@H](C(=O)O)C2)s1 236933108 SKWDFVDFCKVCGJ-SECBINFHSA-N 298.364 1.330 0 50 CDAA CNC(=O)C[C@@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1 215463504 IKHRIKBICYKFCR-SNVBAGLBSA-N 266.389 1.664 0 50 CDAA CCc1occc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 263072923 YJESMWMMUIHPDU-GFCCVEGCSA-N 295.335 1.699 0 50 CDAA O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC2(CCOC2)C1 335126591 FXSMWCUERJMFLV-LBPRGKRZSA-N 292.379 1.026 0 50 CDAA COc1nc(C)cc(C)c1CN1CCC[C@](O)(CO)C1 459638561 TXYUHCYEGPUQCB-OAHLLOKOSA-N 280.368 1.026 0 50 CDAA O=C(c1cc(C(F)F)[nH]n1)N1CCN2CCC[C@@H]2C1 221452353 UCUFUFMLOXKGSP-MRVPVSSYSA-N 270.283 1.268 0 50 CDAA CCCn1nccc1-c1cc(=NC2CC2)[nH]c(=N)[nH]1 426440357 TWCBEDJBBHHWCT-UHFFFAOYSA-N 258.329 1.159 0 50 CDAA O=C(N[C@H]1CCCNC1=O)c1ccc2c(c1)CCC2 49498984 IISOAOCANRHVEL-ZDUSSCGKSA-N 258.321 1.184 0 50 CDAA COC(=O)c1ccc(Br)c(OCCO)c1 223732200 ANIUCSFXFSEXMI-UHFFFAOYSA-N 275.098 1.607 0 50 CDAA CCOc1cc(C(=O)N2CC[C@@H](CN)C2)ccc1C 178543703 KCFUFQRLFHEOPQ-LBPRGKRZSA-N 262.353 1.815 0 50 CDAA CCc1nocc1C(=O)N[C@](C)(c1noc(C)n1)C1CC1 615291537 UNUISBSDVZGACW-AWEZNQCLSA-N 290.323 1.984 0 50 CDAA Cn1cc(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)cn1 426425502 UDHTYRJRQWUKCJ-CQSZACIVSA-N 271.320 1.294 0 50 CDAA CN(Cc1nccs1)C(=O)NCc1nccn1C 426485471 ACPYDWCOMVYIPF-UHFFFAOYSA-N 265.342 1.218 0 50 CDAA COc1ccsc1C(=O)N(CC(=O)O)C1CC1 161377639 PDTHTXMFPGTWQJ-UHFFFAOYSA-N 255.295 1.446 0 50 CDAA Cc1nn2cc(CNC(=O)[C@H](C)n3cccn3)nc2s1 426442739 VOMBKEUVUMWEKN-QMMMGPOBSA-N 290.352 1.173 0 50 CDAA C[C@@H]1CN(c2ncc(F)c(N3CCCC3)n2)C[C@]1(C)O 92062510 BHOGASQIYKNLTG-YGRLFVJLSA-N 280.347 1.423 0 50 CDAA CNC(=O)C[C@@H](C)N(C)C(=O)NCc1cc(F)ccc1C 426690679 NPZCZFPUSGVXJM-LLVKDONJSA-N 295.358 1.800 0 50 CDAA Cc1ccc(C(=O)NCc2cncn2C2CC2)c(=O)n1C 426673989 FTXUBUHDFUVYJW-UHFFFAOYSA-N 286.335 1.155 0 50 CDAA Cc1ncn(C)c1C(=O)NCCCOc1cccnc1 426477484 ZZXUHCXVGLYRGU-UHFFFAOYSA-N 274.324 1.322 0 50 CDAA CC(=O)SC[C@H](C)C(=O)N1CCS[C@]1(C)C(=O)O 95918233 LKDWNVQWERFIAC-WRWORJQWSA-N 291.394 1.278 0 50 CDAA CN1CCCCC[C@@H]1C(=O)NCc1ccc(O)cc1 95364599 DOJFTKBAJJZERH-CQSZACIVSA-N 262.353 1.883 0 50 CDAA CCC[C@@H]1CN(C(=O)CCc2nc(C)n[nH]2)C[C@H]1C(=O)O 91644277 LAQJDDFXFGALLB-GHMZBOCLSA-N 294.355 1.005 0 50 CDAA CCNC(=O)CN1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95356327 DWGBGPSJEIGNKK-CQSZACIVSA-N 290.363 1.700 0 50 CDAA Cc1ccc([C@H](C(=O)N2CCC(O)CC2)N(C)C)cc1 95357836 QKWFZKYVGRTHIO-OAHLLOKOSA-N 276.380 1.581 0 50 CDAA O=C1C=C(Nc2cccc(C(=O)Nc3ccccn3)c2)CN1 524734097 WRNUSPBHXCHESJ-UHFFFAOYSA-N 294.314 1.760 0 50 CDAA c1ccc(CCN2CCC(Oc3ncccn3)CC2)nc1 243893827 AUPCIJLQYZLDTE-UHFFFAOYSA-N 284.363 1.958 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)c1cncnc1C1CC1 622530050 MIJITIKYVSMFKD-LLVKDONJSA-N 297.362 1.543 0 50 CDAA CCc1cnc(CCNC(=O)c2cc(C(=O)O)co2)s1 183801394 LUYMPMFRJVWYFZ-UHFFFAOYSA-N 294.332 1.969 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 299745001 QPDDTIGTHJVOBS-JTQLQIEISA-N 261.281 1.043 0 50 CDAA O[C@H]1CN(CCc2ccccn2)C[C@@H]1N1CCCCC1 252489393 JQAIRQUVKJSWOY-HOTGVXAUSA-N 275.396 1.155 0 50 CDAA Nc1ccc([C@@H](O)CN2[C@H]3CC[C@H]2CC(O)C3)cc1 250242531 IOQGQLHWTMFBFF-YDHLFZDLSA-N 262.353 1.290 0 50 CDAA biogenic CC(=O)N1CCCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 250754625 JCVGDKWKVREURA-SOUVJXGZSA-N 278.396 1.894 0 50 CDAA O=C(NCC1(N2CCCC2)CCCC1)C1CCNCC1 534590203 YNMPPBXJLIGXHZ-UHFFFAOYSA-N 279.428 1.511 0 50 CDAA COc1ccccc1CCC(=O)NCCn1cncn1 263859780 XEXLUNBISUQKIJ-UHFFFAOYSA-N 274.324 1.036 0 50 CDAA CC(C)[C@H](CNC(=O)c1cncnc1)N1CCCC1 820696458 XIXGMETVKHSPLD-ZDUSSCGKSA-N 262.357 1.327 0 50 CDAA NCc1cccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c1 584888539 XSDYABUCVHVGST-ZDUSSCGKSA-N 270.336 1.156 0 50 CDAA CN(C[C@@H]1CCCCN1C)c1ncccc1C(N)=O 670444942 PZEFQPIDMLAIDN-NSHDSACASA-N 262.357 1.101 0 50 CDAA COCC[C@H]1CN(Cc2cc(C(C)=O)cn2C)CCO1 670474217 ZBZSFKLNNNJGFB-HNNXBMFYSA-N 280.368 1.465 0 50 CDAA CCOc1ccnc(N2CC[C@H](O)CC(C)(C)C2)n1 670462168 APXRMOVNQQNJOQ-NSHDSACASA-N 265.357 1.863 0 50 CDAA CN(CC1CCCC1)C(=O)[C@]12CNC[C@H]1CCOC2 1339882512 AWCVXTLYXLGCAL-HIFRSBDPSA-N 266.385 1.261 0 50 CDAA CCN(CCn1cccn1)C(=O)[C@@]1(C)CC(C)=NO1 952973463 ZXULBGWEYJPBRS-CYBMUJFWSA-N 264.329 1.287 0 50 CDAA CCCOCC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 952984052 SVUQMLQTZWLIKY-JTQLQIEISA-N 292.335 1.795 0 50 CDAA O[C@H]1COCC[C@@H]1NC1CCN(c2ccc(F)cc2)CC1 1565516787 PANZHGBJBGTJMK-HOTGVXAUSA-N 294.370 1.534 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCCOc1ccc(F)cc1 268877437 BZAKLPIIMYIUSC-VXGBXAGGSA-N 281.283 1.432 0 50 CDAA Cc1c[nH]cc1C(=O)N(CCO)C1CCSCC1 408522036 CBQPDOMEDQLLFN-UHFFFAOYSA-N 268.382 1.653 0 50 CDAA COCC(=O)Nc1ccc(O[C@H](C)C(=O)O)c(F)c1 630260156 UMLAYTRLIZFOEL-SSDOTTSWSA-N 271.244 1.263 0 50 CDAA Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CSCN3)C2)n1 167086896 MWWAXUPMVCOGTJ-QWRGUYRKSA-N 297.449 1.820 0 50 CDAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1cncnc1 274001469 NCBBLUFRXQNAJL-RRFJBIMHSA-N 265.316 1.935 0 50 CDAA Cc1noc(C)c1C(=O)NC[C@@H]1CCc2nccn2C1 275293225 GHXBVFDMZFUAIM-NSHDSACASA-N 274.324 1.480 0 50 CDAA C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1CCNC1 168826878 OHCFKCGIPUGXCX-GDBMZVCRSA-N 287.407 1.329 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cccs2)C1 276498456 PGDOSIHULIHGCX-ZDUSSCGKSA-N 294.420 1.931 0 50 CDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CC=CC1 170084891 VONNWXUARPFWGN-UHFFFAOYSA-N 260.219 1.406 0 50 CDAA CC(C)(CO)NC(=O)Cc1cc(F)c(F)cc1F 170069363 OREAJABKPIQSQP-UHFFFAOYSA-N 261.243 1.534 0 50 CDAA COCc1nn(Cc2ccc(F)c(Cl)c2)c(=O)o1 189068367 NPZTUNYEGVESLT-UHFFFAOYSA-N 272.663 1.824 0 50 CDAA CC(=O)NCc1cn(Cc2cc(C)ccc2F)nn1 641089688 BEHFWORKHFWHNN-UHFFFAOYSA-N 262.288 1.410 0 50 CDAA C[C@@H]1CC[C@@H](C(N)=O)CN1c1nnc(C2CC2)s1 195575008 ZOXXWPSTQCUYNM-VXNVDRBHSA-N 266.370 1.506 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1occc1C 692323952 RXJYKGPWTAVTSF-CYBMUJFWSA-N 253.298 1.654 0 50 CDAA Cn1nccc1CN(CC(=O)O)Cc1ccc(F)c(F)c1 580202051 PFZJUNFAFTWWSJ-UHFFFAOYSA-N 295.289 1.785 0 50 CDAA Cc1cnn(CCC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c1 581372904 CNIIWZNHIPIMMM-TUAOUCFPSA-N 277.324 1.046 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2CC(N3CC[C@@H](O)C3)C2)CC(C)(C)C1 585089874 VPNIYRRIJAURCQ-UMVBOHGHSA-N 294.439 1.726 0 50 CDAA Cc1cnccc1CCN[C@H](C)C[C@@H]1CCCC(=O)N1 585117550 LFRLBLBTBNEXCR-HIFRSBDPSA-N 275.396 1.969 0 50 CDAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(C)sn1 585113806 QTWXMGXGSCWOSB-SNVBAGLBSA-N 267.354 1.144 0 50 CDAA N[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1c1ccccc1 92038994 YGOQPVQNSFLYLB-CABCVRRESA-N 274.364 1.366 0 50 CDAA O=C(Cc1noc2ccccc12)N1CC[C@@H]2CNC[C@@H]21 209380449 JUODWYKMEPBYTK-MFKMUULPSA-N 271.320 1.191 0 50 CDAA CC[C@H](NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)[C@@H](O)C(=O)OC 1615546913 IIQMGBSGSLMYAU-NAYUARGSSA-N 283.368 1.241 0 50 CDAA CCNC(=O)CCC(=O)Nc1cc(O)ccc1F 1615547094 JJAQUWYBFWKHFM-UHFFFAOYSA-N 254.261 1.386 0 50 CDAA COc1cc(Br)ccc1S(=O)(=O)N(C)C 1196575070 KQHYUUUIEUKSEM-UHFFFAOYSA-N 294.170 1.708 0 50 CDAA Cc1cccnc1N1CC[C@H](N2CCN(C)CC2)C1 1506403516 SPRKLPUNSKDBEO-AWEZNQCLSA-N 260.385 1.216 0 50 CDAA O=C(O)c1nccnc1N1CCC[C@H](CN2CCCC2)C1 1506418942 KXWBLTRIYAXUMA-GFCCVEGCSA-N 290.367 1.487 0 50 CDAA CCc1noc(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1C 1529189993 CLNBZZXZPXLPPI-UMNHJUIQSA-N 295.383 1.982 0 50 CDAA COC(=O)CCCN1CCCC[C@H]1c1cn[nH]c1 117341882 LWQLCVAXIXPOGZ-LBPRGKRZSA-N 251.330 1.890 0 50 CDAA CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CC[C@H](N)C1 237213058 VGRXXYFLSCMJRL-OCCSQVGLSA-N 264.344 1.954 0 50 CDAA COCCO[C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1 253392169 MRHNWTCRTFVGHF-OLZOCXBDSA-N 271.357 1.067 0 50 CDAA COc1ccc(Cl)cc1CN(C)C[C@@](C)(O)C(=O)O 569583726 XQXOTPUSXMGQHM-CYBMUJFWSA-N 287.743 1.616 0 50 CDAA Cc1nc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cs1 1704297352 ODZZYHLSXHZYJS-BXUZGUMPSA-N 290.392 1.277 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1cnn2cc(C)ccc12 1772702853 WXPONLJVDHNLPA-JSGCOSHPSA-N 289.335 1.176 0 50 CDAA C[C@@]12C[C@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1772804600 BSSCSIMBKZYGAA-WFASDCNBSA-N 293.388 1.719 0 50 CDAA OC1(c2ccccc2)CCN(CC[C@@H]2COCCO2)CC1 1775978692 BMAGKUFHZTZGTF-MRXNPFEDSA-N 291.391 1.776 0 50 CDAA CCN1CCn2c(CNCc3ccccc3)nnc2C1=O 1772819520 NHKXHNMYJXHBBO-UHFFFAOYSA-N 285.351 1.044 0 50 CDAA CCc1ccccc1OCCN1CCOC[C@@H](C(=O)O)C1 1775979667 LAHXNQHXJWIKOE-AWEZNQCLSA-N 293.363 1.661 0 50 CDAA CS(=O)(=O)N1CCN(Cc2cccc(Cl)c2)CC1 19572549 YBMNQHRSWHJIJF-UHFFFAOYSA-N 288.800 1.417 0 50 CDAA COC[C@@H](O)c1ccc(OC[C@@H](O)CNC(C)C)cc1 5760466 OFRYBPCSEMMZHR-DZGCQCFKSA-N 283.368 1.104 0 50 CDAA world COc1ccc(NC(=O)CSc2ncn[nH]2)cc1 5910881 OYLPUPZEWWGTRN-UHFFFAOYSA-N 264.310 1.544 0 50 CDAA O=C1C[C@H](NC2CCOCC2)CN1Cc1cccc(F)c1 12073425 YOJMAYJKHIWDRP-HNNXBMFYSA-N 292.354 1.695 0 50 CDAA NS(=O)(=O)c1ccc(NC(=O)Oc2ccccc2)cc1 12505680 CTEABFGCSJPNEA-UHFFFAOYSA-N 292.316 1.945 0 50 CDAA Cn1cc(CNC(=O)[C@@H]2CCCN(c3ccccn3)C2)cn1 19222951 MAGKAZFMKNXJSN-CQSZACIVSA-N 299.378 1.348 0 50 CDAA O=C(c1cccnc1)N1CCN(Cc2ccncc2)CC1 19774096 IEQOXVNFQBOVHA-UHFFFAOYSA-N 282.347 1.435 0 50 CDAA N=c1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)[nH][nH]1 1857692085 NPSGCXZULDSFJU-SECBINFHSA-N 285.229 1.251 0 50 CDAA OC[C@@H]1C[C@H](n2ccnc2-c2cccc(F)c2)CN1 1857728701 MSMYJQUEHBFTCU-STQMWFEESA-N 261.300 1.585 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCn3ccnc3)n[nH]c21 1857532794 VXEHVYDFZOTAJV-ZJUUUORDSA-N 289.339 1.058 0 50 CDAA COc1ncc(CN2CCc3[nH]nc(C4CC4)c3CC2)cn1 1857667320 AYQIQIJSHQOIAX-UHFFFAOYSA-N 299.378 1.687 0 50 CDAA CN1CC[C@H](n2ccnc2-c2ccccc2C(=O)O)C1=O 1857675946 MCGYCNQBUCQXIO-LBPRGKRZSA-N 285.303 1.652 0 50 CDAA CN(C)C(=O)c1ccc(=NC[C@H]2CC[C@@H]3CCC[C@@H]32)[nH]n1 1857683097 CCKOWUIBJSAOST-XQQFMLRXSA-N 288.395 1.839 0 50 CDAA O=C(O)[C@H]1CN(CCCn2cccn2)CC12CCOCC2 1857689229 JZIXGVJYVXYGGP-CYBMUJFWSA-N 293.367 1.086 0 50 CDAA c1ccn2c(N3CCC(C4CCNCC4)CC3)nnc2c1 1857719646 QMBCRUUDLBHEGP-UHFFFAOYSA-N 285.395 1.945 0 50 CDAA COc1ccccc1NC(=O)C(=O)NCCc1ccccc1 2899270 GLDPNYJCEGAGHK-UHFFFAOYSA-N 298.342 1.993 0 50 CDAA CCC[C@]1(CO)CCN(Cc2nc(C3CC3)no2)C[C@H]1O 1875247743 QIYINVGGFQHYJW-IUODEOHRSA-N 295.383 1.292 0 50 CDAA O=C(Cc1ccc(O)cc1Cl)N1C[C@H]2[C@@H](O)CC[C@H]2C1 408186808 JMNQPBCWISNZHL-SUHUHFCYSA-N 295.766 1.817 0 50 CDAA Cc1cnn([C@H](C)[C@@H](C)N[C@@H](C(N)=O)c2ccccc2)c1 229569683 QNYLSHMJHTWFDG-UMVBOHGHSA-N 286.379 1.957 0 50 CDAA CN(Cc1ccnn1C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328642978 RGAFFCYPWXJTMN-RDJZCZTQSA-N 299.422 1.940 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)Cn2ncc3ccccc32)C1 237645285 GASKDLMUKPFBPW-HNNXBMFYSA-N 287.319 1.360 0 50 CDAA C[C@H]1CN(C[C@@H](O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 128777588 OCZGBUAQOXVNJM-MBNYWOFBSA-N 293.363 1.600 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(-n2cccn2)cc1 238070388 BMTOXUMXHBEKBR-CQSZACIVSA-N 299.330 1.490 0 50 CDAA CN1CC[C@H](NC(=O)c2nccc3ccccc23)C1=O 150772493 NHIANIMXTFZLKV-LBPRGKRZSA-N 269.304 1.195 0 50 CDAA C[C@H]1CCN(S(=O)(=O)NCc2ccc(C(=O)O)cc2)C1 262374433 FZPMDCAIZNQGSO-JTQLQIEISA-N 298.364 1.061 0 50 CDAA Cc1ccc(COCC(=O)NC23CCN(CC2)C3)cc1 913636335 BPCOISYLVNXLJP-UHFFFAOYSA-N 274.364 1.476 0 50 CDAA Nc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccoc3)C1)CC2 1704330656 ZRCSRFGBRUJONW-INIZCTEOSA-N 298.346 1.772 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(Cl)cn1C)C2 1704337282 YXEMVLXBIDCOPA-JQWIXIFHSA-N 297.786 1.081 0 50 CDAA O=C(O)c1ccc2c(c1)OCCN(C(=O)C1CC1)C2 908135817 FZFLOWZPUNOZSK-UHFFFAOYSA-N 261.277 1.516 0 50 CDAA O=C(N[C@@H]1CC[C@H]1O)c1cc(-c2c[nH]c3ccccc23)[nH]n1 911300772 UGSNWWFTLMZJBC-IUODEOHRSA-N 296.330 1.811 0 50 CDAA CCOC[C@H]1CCN(C(=O)c2cccc(C(=O)O)c2)C1 236980684 YDCJMBCFBPDKBW-NSHDSACASA-N 277.320 1.883 0 50 CDAA Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C 11613744 KOKRNQUICQMRSM-GFCCVEGCSA-N 269.366 1.761 0 50 CDAA Cc1cc(C(=O)N2CC[C@@]3(C2)OC(=O)N[C@@H]3C)c(C)[nH]1 1875299472 MJEKSUSXHGNWAW-YGRLFVJLSA-N 277.324 1.345 0 50 CDAA Cc1cccc2c1C[C@@H](NC(=O)[C@H]1CC[C@H](N)CC1)CO2 876993956 XOGRJMPNEBEGCN-MGPQQGTHSA-N 288.391 1.932 0 50 CDAA O=C1Nc2ccccc2C[C@H]1C(=O)N1CC=CCC1 1875300881 UVOCOYXRXSVHLL-GFCCVEGCSA-N 256.305 1.586 0 50 CDAA CC(C)[C@H]1OCCC[C@H]1C(=O)N(CC(N)=O)C(C)C 886071686 YNKLGPQDNUQLNS-DGCLKSJQSA-N 270.373 1.160 0 50 CDAA CN[C@H](CC(C)(C)C)C(=O)NC1(c2nc[nH]n2)CCC1 888096467 WFLXBGJNLGXYET-SNVBAGLBSA-N 279.388 1.324 0 50 CDAA Cc1onc(-c2cccnc2)c1C(=O)N1CC[C@@H]1CO 889152441 RVMKYSPQJODOTO-LLVKDONJSA-N 273.292 1.252 0 50 CDAA C[C@@H]1CC=CC[C@H]1NC(=O)NCCN1CCOCC1(C)C 892759841 YBZFOGZYPZNTEI-ZIAGYGMSSA-N 295.427 1.751 0 50 CDAA Cc1cc(Cl)ccc1NC(=O)CN1CCOCC1 19990514 XSNPOGBYLNWCRT-UHFFFAOYSA-N 268.744 1.919 0 50 CDAA C[C@@H](Cc1ccccc1F)NCCN1CCOCC1 22455363 QXIIGXDXESRKKG-ZDUSSCGKSA-N 266.360 1.679 0 50 CDAA Cc1cc(CN2CCN(CC(F)F)CC2)ncn1 292161570 KPVNJDSDIDFVQG-UHFFFAOYSA-N 256.300 1.168 0 50 CDAA O=C(NC[C@@H](O)C1CCC1)c1ccc2nccn2c1 408520824 ZFBFCGHMDRIMGK-GFCCVEGCSA-N 259.309 1.225 0 50 CDAA CSCC(=O)NCCOc1cccc(C(=O)O)c1 426619998 HYIOJPXDWKJNHC-UHFFFAOYSA-N 269.322 1.243 0 50 CDAA CN(Cc1cnn(C(C)(C)C)c1)C[C@@H]1CCS(=O)(=O)C1 353766408 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CDAA C[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@H](C(=O)O)O1 634804532 KVAPDFSEYABLAR-ZYHUDNBSSA-N 267.325 1.433 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnsn1 188732040 BYSDQZSIJDYUOI-SCZZXKLOSA-N 269.370 1.719 0 50 CDAA C[C@@H]1OCCN(c2nc(=N)[nH]c3c2CCCC3)[C@H]1C 645190715 NQARNTHFLNQRNH-UWVGGRQHSA-N 262.357 1.382 0 50 CDAA C[C@H](NC(=O)CN1CCCCC1=O)c1ccccn1 192512836 APSMTVRMBPUHAO-NSHDSACASA-N 261.325 1.271 0 50 CDAA O=C(O)c1cccc(CNC(=O)c2ccc3[nH]nnc3c2)c1 193709453 PDSPKAOKCWULGT-UHFFFAOYSA-N 296.286 1.586 0 50 CDAA Nc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1 62984977 XMFJYWYBAIZOBB-CYBMUJFWSA-N 274.368 1.364 0 50 CDAA CC(C)N1CCCN(C(=O)C[C@@H]2CCCOC2)CC1 793390200 LUCLSPXNRYKVBE-AWEZNQCLSA-N 268.401 1.746 0 50 CDAA O=C(O)CN(C(=O)Cn1ncc2ccccc21)C1CCC1 655591525 QLSFBRICTILLLE-UHFFFAOYSA-N 287.319 1.502 0 50 CDAA CCN1CCO[C@@H](C(=O)NC2(CC(=O)O)CCCCC2)C1 663119874 PGUPHJAICURTRL-GFCCVEGCSA-N 298.383 1.001 0 50 CDAA Cc1ccccc1[C@@H](C(=O)O)N(C)Cc1cnn(C)c1 575130252 QXJUGYHFVIFQFB-AWEZNQCLSA-N 273.336 1.986 0 50 CDAA O[C@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@@H]1F 1616099988 CBAXVVBOHSLZPK-GJZGRUSLSA-N 275.327 1.446 0 50 CDAA O=C(Cc1c(F)cccc1Cl)N1C[C@H]2[C@@H](O)C[C@H]2C1 1857705602 NSSBSECHWGBXQG-PLMOITTCSA-N 283.730 1.861 0 50 CDAA COCCn1cnnc1CNc1nc2ccccc2o1 1506408433 DXQKEPNWCXXCBA-UHFFFAOYSA-N 273.296 1.678 0 50 CDAA Cc1c(NC(=O)[C@@H](C)CN2CCCCC2)cnn1C 1506401951 HHGPJPRWLNGJNY-NSHDSACASA-N 264.373 1.789 0 50 CDAA CCc1nccn1C[C@@H](C)NCCCn1ccnc1 1506413756 KKWRHICEODDXPV-CYBMUJFWSA-N 261.373 1.710 0 50 CDAA NC[C@@H]1CCCN1C(=O)CCOc1ccc(F)cc1 237942853 YJHFZKKFSBHDRI-LBPRGKRZSA-N 266.316 1.544 0 50 CDAA Cn1nnnc1-c1cccc(NC[C@@H]2CCCOC2)c1 111318881 BAJDBNSMSOFEFG-NSHDSACASA-N 273.340 1.716 0 50 CDAA O=c1c2cccc(F)c2ncn1C[C@@]1(O)CCCOC1 1857529501 CQZXZZHOJSCYEQ-AWEZNQCLSA-N 278.283 1.077 0 50 CDAA CN1CCC[C@]2(C(=O)O)CCN(Cc3ccoc3)C[C@@H]12 1529195345 KKDWYPFWFSWJAH-HIFRSBDPSA-N 278.352 1.651 0 50 CDAA Cc1ccccc1[C@H]1CN(CC(=O)O)C[C@@H]1C(=O)O 216302941 CHBVKWUZIRWONB-NEPJUHHUSA-N 263.293 1.180 0 50 CDAA CC(=O)c1cnc(NCc2cnc(C)cn2)nc1C 1704307753 KNZRGGCJMDSNGO-UHFFFAOYSA-N 257.297 1.698 0 50 CDAA O=C(O)COc1ccc(C(=O)N2CC=CCC2)cc1 621537226 JMZHESMSCKWKQF-UHFFFAOYSA-N 261.277 1.552 0 50 CDAA CCN(CCC(=O)NC1CCCCCC1)[C@H](C)C(N)=O 1704314651 VXMGQWYSEVPJEE-GFCCVEGCSA-N 283.416 1.411 0 50 CDAA CO[C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1Cc1cc(C)no1 1704280222 WIXCAYDRORGWSX-OCCSQVGLSA-N 289.335 1.641 0 50 CDAA Oc1nnc(C2CCNCC2)n1Cc1cccc(F)c1 1775973253 NZVOVUYDJCFLCZ-UHFFFAOYSA-N 276.315 1.638 0 50 CDAA CCC(CC)(CO)CN(C)C[C@H]1CCC(=O)N(C)C1 1775983892 VBDHLGSPVCOBGV-CYBMUJFWSA-N 270.417 1.585 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)O1 247189439 VRCMMIRQIGBCMI-NAWOPXAZSA-N 281.352 1.798 0 50 CDAA CN(Cc1n[nH]c2c1CCCC2)C[C@H]1CCC(=O)N(C)C1 1772818798 LJNXJYOQARRZDN-GFCCVEGCSA-N 290.411 1.589 0 50 CDAA C[C@H]1CS(=O)(=O)C[C@H]1OC(=O)CCc1ccccc1 5358682 WOWYOBYANBNSDC-WCQYABFASA-N 282.361 1.596 0 50 CDAA CCOC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)[nH]c1=O 14162991 PHIOYISOSOHDHM-UWVGGRQHSA-N 279.340 1.429 0 50 CDAA Cn1c(=N)n(C[C@@H](O)COc2ccccc2)c2ccccc21 19289891 VEDNAASDVOTMIR-CYBMUJFWSA-N 297.358 1.899 0 50 CDAA O=C1CC2(CCN(Cc3ccccc3)CC2)CC(=O)N1 1705548 MZOUQZZYZKEBKL-UHFFFAOYSA-N 272.348 1.705 0 50 CDAA in-vitro CC(=O)N1CCC[C@@H](CNC(=O)c2[nH]c(C)nc2C)C1 621986435 LYIMJZLDZGWHKY-LBPRGKRZSA-N 278.356 1.015 0 50 CDAA O=C(O)[C@@H](C1CC1)N1CCCC[C@H]1CN1CCOCC1 635016751 OVVYEITYCSEINJ-UONOGXRCSA-N 282.384 1.036 0 50 CDAA C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2ncn(C)n2)c1 126913648 KHBUUPWMTUHFPE-MFKMUULPSA-N 286.335 1.846 0 50 CDAA Cc1noc(CCCC(=O)N2CCC[C@H](C)[C@@H]2CN)n1 237687270 JOZWSLHGJTVLNY-JQWIXIFHSA-N 280.372 1.287 0 50 CDAA CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)CCC2CC2)C1 334173005 BOAZHILUWXHBMZ-ZIAGYGMSSA-N 286.441 1.532 0 50 CDAA O=C([C@H]1CNCCO1)N(Cc1ccccc1F)C1CCC1 237822154 ULCRMBPORWICRW-OAHLLOKOSA-N 292.354 1.695 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1C[C@@H](C)N[C@H](C)C1 153409281 ZAXDHRLYMWGAOW-VXGBXAGGSA-N 276.384 1.724 0 50 CDAA O=S(=O)(N=c1cc[nH]cc1)c1onc(C2CC2)c1Cl 585137727 QUJNGSFJBYVGQV-UHFFFAOYSA-N 299.739 1.823 0 50 CDAA Cc1ncnc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)c1C 1704298025 CYTVIQSMUYEZPG-GDBMZVCRSA-N 290.411 1.376 0 50 CDAA C[C@]1(O)CCOC2(CCN(C3CCOCC3)CC2)C1 1704307350 XPGXQHLXIFJIQY-AWEZNQCLSA-N 269.385 1.561 0 50 CDAA Cn1ccnc(-c2ccccc2OC[C@H]2CCOC2)c1=O 906162713 UGBDPIABQFBDSY-LBPRGKRZSA-N 286.331 1.863 0 50 CDAA O=C(c1cnc(F)c(Cl)c1)N1CCN(C2CC2)C(=O)C1 928996544 VOQMWMALDKGQGT-UHFFFAOYSA-N 297.717 1.321 0 50 CDAA CCc1cc(C)nc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)n1 952890708 YLLKZYRMXVXELI-JQWIXIFHSA-N 288.355 1.655 0 50 CDAA Cc1conc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952849214 SJWTVRMIZVTBLR-WDEREUQCSA-N 276.296 1.436 0 50 CDAA O=C(NS(=O)(=O)Cc1ccccn1)[C@@H]1CC[C@@H]2C[C@@H]21 1875290894 HOAHXSCJAYNDTC-JLLWLGSASA-N 280.349 1.074 0 50 CDAA CC(C)c1noc(C[C@@]2(O)CCCN(C(=O)C3CC3)C2)n1 1875268215 NYEPZKDQIJTKBK-HNNXBMFYSA-N 293.367 1.499 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H]1COc2cc(F)ccc2C1 1875272976 OCUZDZGUEGPOJT-KXMPLOMGSA-N 293.294 1.222 0 50 CDAA CCn1nc(C)c(CSc2ncnc3[nH]cnc23)n1 1875265633 YBEAHWNYWCQRSO-UHFFFAOYSA-N 275.341 1.565 0 50 CDAA C=CC(=O)NCCN1CCN(C)C[C@@H]1c1ccccc1 1875366024 UHFLDQZIQDTJOQ-OAHLLOKOSA-N 273.380 1.277 0 50 CDAA Cc1noc(=O)n1CC(=O)c1cccc(OC(F)F)c1 1875391553 BCYPQFIMERCSMX-UHFFFAOYSA-N 284.218 1.629 0 50 CDAA Cc1nnc([C@H]2CCCN(Cc3cc[nH]n3)[C@H]2C)o1 886078358 XBWDERJKKRVOJR-CABZTGNLSA-N 261.329 1.869 0 50 CDAA O=C(NCc1cncc(O)c1)[C@@H]1OCCc2ccccc21 886278093 NTDHVHDBDSDCBB-OAHLLOKOSA-N 284.315 1.717 0 50 CDAA CN1CC[C@](N)(c2nc(-c3ccc4c(c3)ncn4C)no2)C1 888078196 XFNOZDPPWQYOPO-OAHLLOKOSA-N 298.350 1.113 0 50 CDAA Cn1ncc2c1C[C@H](C(=O)O)CN2C(=O)OC(C)(C)C 1772717209 GTARIYZZZCXMTB-QMMMGPOBSA-N 281.312 1.419 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc(F)c1 169616539 HQZWLGTTYNKBIB-WISYIIOYSA-N 277.251 1.418 0 50 CDAA COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H](N)C1 157701963 QRILBHLJALPEMF-GFCCVEGCSA-N 282.771 1.841 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NC1CC(c2ccccc2)C1 268933977 ZWFGQYNUPQHJKN-FIYWTHMPSA-N 259.305 1.770 0 50 CDAA CCCn1nccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 663054900 SDZKCYGKKUGEAL-DCAQKATOSA-N 277.324 1.371 0 50 CDAA C[C@@H]1C[C@@H](O)CN(C(=O)c2ccncc2Cl)C1 335101079 WTDLLLHKXMIVRU-RKDXNWHRSA-N 254.717 1.578 0 50 CDAA CC(C)(C)c1noc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)n1 368336300 MKZDYOFBPWOLCO-MYJAWHEDSA-N 251.330 1.037 0 50 CDAA CCCC1(NC(=O)[C@H](N)Cc2cncs2)CC1 719103085 RWPAXGFWAZETAQ-SNVBAGLBSA-N 253.371 1.462 0 50 CDAA CC(C)[C@H](CNc1cncc(C(=O)O)n1)N(C)C 820694748 HYVXAVNQOHAPSU-JTQLQIEISA-N 252.318 1.173 0 50 CDAA COC(=O)c1ccc(N2CC[C@@H](C)[C@H](CN)C2)nc1 842315831 BQMIAZBPAPRIOD-ZYHUDNBSSA-N 263.341 1.289 0 50 CDAA Cn1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O 610728 MVUWTSPZNFFTNH-UHFFFAOYSA-N 285.347 1.996 0 50 CDAA CN(C[C@@H]1Cc2ccccc2O1)c1ncc2c(ncn2C)n1 2100543349 QGXKWBHHLTUVCN-LBPRGKRZSA-N 295.346 1.803 0 50 CDAA CO[C@H](C(=O)N1CCC[C@@H](N)[C@H]1C)c1ccccc1 297459877 XIJCYQGPGMOIJT-BNOWGMLFSA-N 262.353 1.712 0 50 CDAA C[C@@H](O)[C@H]1CCN(C2=NCCN2Cc2ccccc2)C1 2325841859 IBGVAPODXZBQBK-HIFRSBDPSA-N 273.380 1.561 0 50 CDAA N[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 237841908 HHUPUFMDLAAMSR-KMOQFTEPSA-N 274.320 1.031 0 50 CDAA O=C(NC[C@@H]1COc2ccccc2O1)c1ccco1 68492 IRQMQVKHNLGEFH-SNVBAGLBSA-N 259.261 1.849 0 50 CDAA COc1cc(NC(=O)c2ccccc2F)nc(OC)n1 84183 WGRZPOQMCNRLCG-UHFFFAOYSA-N 277.255 1.885 0 50 CDAA Cc1cc(C)cc(OCC(=O)N2CCC(C(N)=O)CC2)c1 260848 QGQJWOGBTGSYPZ-UHFFFAOYSA-N 290.363 1.406 0 50 CDAA O=C(O)CCS(=O)(=O)c1cccc2cccnc12 469873 ZUYFSGCCMSGAGN-UHFFFAOYSA-N 265.290 1.483 0 50 CDAA O=C(O)C1CCN(Cc2ccc3c(c2)CCO3)CC1 1503076 LHSVLAAWDJCGAZ-UHFFFAOYSA-N 261.321 1.918 0 50 CDAA CCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 1902835 NMDLKRRSCBGBDN-NSHDSACASA-N 289.328 1.747 0 50 CDAA COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC 2545374 IYEKFSMKXYQRLC-LBPRGKRZSA-N 276.292 1.608 0 50 CDAA in-vitro Cc1nnc2n1[C@@H](C)C(=O)N(CCc1ccccc1)C2 2356157216 FTVGCXGPKSIOHE-NSHDSACASA-N 270.336 1.732 0 50 CDAA Cc1ccccc1CSCCNS(C)(=O)=O 2816954 LXUUYWXMNTUPMN-UHFFFAOYSA-N 259.396 1.777 0 50 CDAA Cn1cnc2nc(-c3ccc(C(=O)O)cc3)ncc21 2356161455 WKWXBPKPHJWKTN-UHFFFAOYSA-N 254.249 1.729 0 50 CDAA Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2)cc1 2944231 RBHMJOHXWXWTKZ-HNNXBMFYSA-N 298.342 1.783 0 50 CDAA O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 4141475 WOBGMWQXUFMIBY-SNVBAGLBSA-N 273.741 1.257 0 50 CDAA Cc1cccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1 4944775 KELBVIAXJKVCBX-SECBINFHSA-N 270.292 1.135 0 50 CDAA Cc1ccc(N2C(=O)C[C@@H](NC[C@H]3CCCO3)C2=O)cc1 4996535 ATIPQIZIPFWXSA-ZIAGYGMSSA-N 288.347 1.396 0 50 CDAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 59739878 CIIKZYBQADSDIN-CHWSQXEVSA-N 296.411 1.566 0 50 CDAA CC(C)Cn1c(SCC(N)=O)nnc1-c1ccncc1 8883210 LNQAZUHCFVRFCG-UHFFFAOYSA-N 291.380 1.574 0 50 CDAA COc1ccc(OCC(=O)NCCCN2CCCC2)cc1 10449995 HSSWIUPJPJKLLX-UHFFFAOYSA-N 292.379 1.676 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccnnc1 225443257 WFGFGEIGTQEBLD-DLOVCJGASA-N 275.308 1.335 0 50 CDAA NC(=O)[C@H](NC(=O)Nc1ccccn1)c1ccc(F)cc1 225779971 BVPQGTMOLXIUFP-GFCCVEGCSA-N 288.282 1.569 0 50 CDAA CCOC(=O)[C@@H]1CC2(CN1)CN(C(=O)OC(C)(C)C)C2 116186399 SLXLDVSCBKHICP-JTQLQIEISA-N 284.356 1.149 0 50 CDAA CSCC[C@H](NC(C)=O)c1nc(CC(C)C)n[nH]1 65398699 KOFGDTSMXRRLFV-JTQLQIEISA-N 270.402 1.934 0 50 CDAA O=C(NCCNC(=O)C1CC1)c1cc2ccccc2[nH]1 13722649 HMHNUSIVEXKRCU-UHFFFAOYSA-N 271.320 1.424 0 50 CDAA COC[C@H](C)CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)O 234688887 LYKVTJSMDHROCZ-JFGNBEQYSA-N 257.330 1.371 0 50 CDAA CN1CCN(CCNC(=O)N2CCc3ccccc32)CC1 252495427 OQDNZFGVMTYSJK-UHFFFAOYSA-N 288.395 1.006 0 50 CDAA CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cccs1 126081180 KUQZZQWQGOQMKL-BDAKNGLRSA-N 267.350 1.863 0 50 CDAA CCN(C)c1ccnc(N2CCC(C(=O)OC)CC2)n1 65409742 WYFHHWHXSKDDSG-UHFFFAOYSA-N 278.356 1.322 0 50 CDAA CCn1c([C@H]2CCCNC2)nn(CCSC(C)C)c1=O 67675474 REFMVUBGWLUCRL-LBPRGKRZSA-N 298.456 1.673 0 50 CDAA NC(=O)c1cncc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 252548978 QOGXDSDNFRWYID-UHTWSYAYSA-N 290.367 1.095 0 50 CDAA C[C@]12CCCC(=O)N1[C@H](CO)[C@@H](c1ccccc1)O2 155038 HMPLCFQDHIGQMF-YUELXQCFSA-N 261.321 1.848 0 50 CDAA biogenic Cc1nc(CCNC(=O)c2cccn2C)nc2c1CCCC2 219889804 OOQUMSWFFIGIES-UHFFFAOYSA-N 298.390 1.975 0 50 CDAA CCCS(=O)(=O)NCc1cn2c(n1)CCCC2 328596777 LGZIIHVKGVVTSZ-UHFFFAOYSA-N 257.359 1.049 0 50 CDAA C[C@H]1C(=O)N(c2cccnn2)C(=O)N1Cc1ccccc1 328595129 LOONIIVQTKHCPL-NSHDSACASA-N 282.303 1.834 0 50 CDAA Cc1ccc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)s1 328616649 BYBJFHUITUXHMB-LLVKDONJSA-N 290.392 1.909 0 50 CDAA CCN1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C[C@H]1c1ncc[nH]1 328634865 UIXQSICIGWVPGP-MCIONIFRSA-N 288.395 1.661 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCn3ccnc3C2)nc(C)n1 328628579 NXIZJZKBUROVLO-GFCCVEGCSA-N 285.351 1.282 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)C1(O)CCCC1 328626698 LZAIFYUVYJPPOS-GFCCVEGCSA-N 277.368 1.209 0 50 CDAA CC(C)n1nccc1C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O 126034128 VNTVNAIHENYPLM-WDEREUQCSA-N 278.356 1.238 0 50 CDAA COCCOc1cccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1 153159449 COBLUCUFNQSCHA-CHWSQXEVSA-N 292.379 1.534 0 50 CDAA CCN(C(=O)N1CCO[C@H](c2nnc(C)o2)C1)C(C)C 364534556 XWFHIRAQAOOYPY-NSHDSACASA-N 282.344 1.602 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cc(C2CC2)[nH]n1 215089148 IISGFUZDTYWNEP-UHFFFAOYSA-N 287.367 1.942 0 50 CDAA CNc1ncc(CN(C)c2cc(C)nc3ccnn23)cn1 72480680 FAKTWSAMSDWXCI-UHFFFAOYSA-N 283.339 1.506 0 50 CDAA CCN1C[C@H](N[C@@H]2CCCc3c(O)cccc32)CC1=O 333279584 XPRDTQGBIHEWOP-BXUZGUMPSA-N 274.364 1.980 0 50 CDAA O=C(Cn1ccc2ccccc21)NCCCn1ccnn1 183009304 YHWXJDLTUCCZSU-UHFFFAOYSA-N 283.335 1.439 0 50 CDAA Cc1nnsc1C(=O)N[C@@H]1CCOC2(CCOCC2)C1 77298055 OPBPSADDHJZWQQ-SNVBAGLBSA-N 297.380 1.305 0 50 CDAA COCCN(CC(=O)O)C(=O)[C@H]1C[C@@H]1c1ccccc1C 237282158 AOGQLEAIZWBAED-KGLIPLIRSA-N 291.347 1.658 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccnc(-n2ccnc2)c1 237271346 FEEOUPRLLIADDO-CYBMUJFWSA-N 285.351 1.091 0 50 CDAA Oc1n[nH]c(CN2CCCc3ccccc3CC2)n1 333650758 DZGVGJUITZRUAC-UHFFFAOYSA-N 258.325 1.501 0 50 CDAA CC(=O)Nc1cc(C)c(C(=O)O)cc1NC(C)=O 71774351 PMRNUFUNDVEXQR-UHFFFAOYSA-N 250.254 1.610 0 50 CDAA COC[C@@H]1CCCCN1C(=O)NC[C@H]1CCCO1 334108363 ZURIGLAVUDYEOW-NWDGAFQWSA-N 256.346 1.376 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)ns1 373884529 WMDGBEGIPNVYFM-IQJOONFLSA-N 279.365 1.178 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)c(F)c1 262301613 AINLNWWYODFWCS-GXFFZTMASA-N 295.310 1.805 0 50 CDAA CCC(CC)c1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)on1 262385409 JGMLPTHQLFSGEA-GHMZBOCLSA-N 280.324 1.915 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1CCC[C@@H](N)C1 157891867 MMCWBMGGPPSGLQ-LLVKDONJSA-N 262.357 1.465 0 50 CDAA Cn1ccnc1CCNC(=O)[C@H](O)c1cccc(Cl)c1 218969772 WIEKSCLCBXSJKA-CYBMUJFWSA-N 293.754 1.466 0 50 CDAA Cc1noc([C@@H]2CN(c3ncccc3Cl)CCN2C)n1 284401139 BDRWMOVCBZHFCT-NSHDSACASA-N 293.758 1.920 0 50 CDAA Cc1noc([C@@H]2CN(c3ccncc3Cl)CCN2C)n1 284490242 JOJFPEFQMCZKSX-LBPRGKRZSA-N 293.758 1.920 0 50 CDAA CCCc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)n(C)n1 82161561 HAQUEXHXXKVCNU-HOCLYGCPSA-N 298.390 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COCC(=O)N1CCc2c(NC(=O)C(C)(C)F)cccc21 408514020 GDIGUOONIXMDGW-UHFFFAOYSA-N 294.326 1.909 0 50 CDAA CN(CC[C@@H]1CCOC1=O)C[C@H]1CCc2nccn2C1 328637756 OTZGIGZPXGQGRD-CHWSQXEVSA-N 277.368 1.331 0 50 CDAA c1cc(=N[C@@H]2CCCOC2)[nH]c(NC[C@H]2CCCS2)n1 328622260 BASPIKIIWPYHGZ-VXGBXAGGSA-N 294.424 1.797 0 50 CDAA O=C(O)CCN(C(=O)c1cccnc1)C1CCOCC1 555494865 RLLAKXXAYFXWGO-UHFFFAOYSA-N 278.308 1.178 0 50 CDAA Cc1nc(C(=O)N[C@@H](C)c2cnn(C)c2)ccc1C(=O)O 261668419 LDJJRGVTQWJBHG-QMMMGPOBSA-N 288.307 1.313 0 50 CDAA CS(=O)(=O)c1cccc(C(=O)N[C@H]2C=CCCC2)c1 158076937 AFUQUPSFACWJIV-LBPRGKRZSA-N 279.361 1.929 0 50 CDAA CCc1ccc([C@H]2COCCN2C[C@@H]2C[C@H]2C(=O)O)o1 903891145 JSGPGMWMBURESV-CYZMBNFOSA-N 279.336 1.936 0 50 CDAA CSCC[C@H](N)C(=O)N1CCC2(C=C(C)CCO2)CC1 1704342526 FBEVWRKVWUMYCG-ZDUSSCGKSA-N 298.452 1.795 0 50 CDAA CCC[C@]1(C(=O)O)CCN(CCn2nccc2C)C[C@H]1O 1704356607 HCQVZBVKOJWAOJ-HIFRSBDPSA-N 295.383 1.129 0 50 CDAA CCn1cc(C(=O)N2CCCC3(CCN(C)CC3)C2)nn1 935797101 JTVKIVKOZPRIDQ-UHFFFAOYSA-N 291.399 1.246 0 50 CDAA CCc1[nH]nc(Cl)c1CN1CCN(C(=O)OC)CC1 864089548 QAIGFOPFBFITSV-UHFFFAOYSA-N 286.763 1.510 0 50 CDAA CCc1ccoc1C(=O)N1CC[C@H](c2n[nH]cc2N)C1 952851634 PRYBNZHDHXOLKO-JTQLQIEISA-N 274.324 1.777 0 50 CDAA Cc1nc(O)ccc1C(=O)NCc1n[nH]c2c1CCCC2 1875267919 YWKNOOUTVAFLHZ-UHFFFAOYSA-N 286.335 1.628 0 50 CDAA Oc1cc(N2CC[C@H](Nc3ncccn3)C2)c(Cl)nn1 1875269422 VZQPCLKSHARMNB-QMMMGPOBSA-N 292.730 1.316 0 50 CDAA O=C(c1c(F)ccc2n[nH]cc12)N1CCC[C@H](CO)C1 1875292695 PRIUUDWPVQJHJK-VIFPVBQESA-N 277.299 1.547 0 50 CDAA CC(=O)N[C@H](C)c1ccc(N2C[C@@H](C)CS2(=O)=O)cc1 1875321777 VAFLMVYCRLYJHQ-GHMZBOCLSA-N 296.392 1.670 0 50 CDAA O=C(NCc1nc(C(F)(F)F)no1)N1CCC2(CC2)C1 1875313895 WQFNZACYOONRKV-UHFFFAOYSA-N 290.245 1.784 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@H](C(=O)NC2CC2)C1 1875376862 LGQXSGHWBCBAAN-WWNBYQIJSA-N 293.411 1.058 0 50 CDAA Cn1cnc2c(NC[C@H]3CCCO3)nc(Cl)nc21 1875302903 MGFRMFWIJQZUCD-SSDOTTSWSA-N 267.720 1.608 0 50 CDAA O=C(O)C[C@@H](CO)NC(=O)c1ccc(C2CCC2)cc1 1875313929 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50 CDAA Cc1nc([C@@H]2CCCN2C(=O)c2ccc3cncn3c2)n[nH]1 2325781379 LEUNHLAKZOJVHU-ZDUSSCGKSA-N 296.334 1.738 0 50 CDAA C[C@@H](C[C@@H](O)c1ccco1)NC(=O)[C@H]1C[C@H](N(C)C)C1 2325784697 DAQWAFBXMLVCKE-ZDEQEGDKSA-N 280.368 1.548 0 50 CDAA CCn1ccnc1CN[C@@H]1CCOC2(CC(C(=O)O)C2)C1 2325829853 UPTZCRAMIUXHTC-MQYJIDSJSA-N 293.367 1.405 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(C(=O)Cc3cnn4ccccc34)CC[C@H]21 910851659 WCGKCRPFGCDBLW-TYNCELHUSA-N 299.330 1.056 0 50 CDAA O=C(CN1CCC[C@@H](O)C1)N1CCC[C@H]1c1cccs1 247788013 AOGLPIWJMXVFKZ-OLZOCXBDSA-N 294.420 1.868 0 50 CDAA CC(=O)OCCN(CCOC(C)=O)c1ccccc1 2016778 XQGHEXBVXWBMGC-UHFFFAOYSA-N 265.309 1.619 0 50 CDAA Cc1nnc2sc(-c3ccc4c(c3)OCO4)nn12 4487526 VKNQOKLMDVPGHD-UHFFFAOYSA-N 260.278 1.890 0 50 CDAA CC(=O)N1CCC(C(=O)N[C@@H](C)C(C)(C)C)CC1 6725414 XSQAYGMRUCLSNW-JTQLQIEISA-N 254.374 1.796 0 50 CDAA C[C@@H]1CC(=O)c2cn3nc(-c4ccncc4)nc3nc2C1 6756543 MARQNTJTMMGPCX-VIFPVBQESA-N 279.303 1.951 0 50 CDAA CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2 100009278 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284.363 1.818 0 50 CDAA Cc1cc(N)ncc1-c1ccc2c(c1)NC(=O)CO2 1242083951 HLCNIABJXJLFSM-UHFFFAOYSA-N 255.277 1.970 0 50 CDAA C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1C[C@H]1C(=O)O 299753043 WPIGKGKVEQEVEO-SZEHBUNVSA-N 299.273 1.569 0 50 CDAA C[C@@H]1COCC[C@H]1CNC(=O)NC[C@@H]1CCCCN(C)C1 624048508 NMKPLCHOVHEICF-ILXRZTDVSA-N 297.443 1.690 0 50 CDAA CCc1cncc(C(=O)N2CCC[C@H]2Cn2ccnn2)c1 299746763 ZQQZKXWJBCKYRP-AWEZNQCLSA-N 285.351 1.540 0 50 CDAA C=CC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1356509599 USNDBZATGIEFFQ-LLVKDONJSA-N 268.357 1.936 0 50 CDAA Cc1cc(C)n(C2CN(c3cc([C@@H]4CCOC4)ncn3)C2)n1 299802532 YULZQTWOLSNBED-CYBMUJFWSA-N 299.378 1.855 0 50 CDAA OC[C@@H]1CCCCN1Cc1ccc2c(c1)CNCCO2 299759301 QBFZMPQMOFPJJO-HNNXBMFYSA-N 276.380 1.515 0 50 CDAA C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)NC1=O 725255809 NBDOHMORQPXESJ-RNCFNFMXSA-N 254.330 1.522 0 50 CDAA O=S(=O)(NCCCC[C@@H]1CCCO1)c1cn[nH]c1 828388935 WWVSUJXZTBVDCN-SNVBAGLBSA-N 273.358 1.037 0 50 CDAA CC1(C)C[C@]1(C(=O)N1CCCNC(=O)C1)c1cccs1 828308674 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CN(CC[C@H]1CCCCO1)C(=O)CCCC(=O)O 426533818 RSDUELAODSUKJE-LLVKDONJSA-N 257.330 1.659 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)NCCc2ccccc2)[C@H]2CC[C@H]1O2 136527015 QNMKUAYWBNBHJI-AAVRWANBSA-N 289.331 1.224 0 50 CDAA O=C(NCCCC[C@H]1CCCO1)c1cc(CO)ccn1 220633600 FGOPRYMVGXSJDJ-ZDUSSCGKSA-N 278.352 1.653 0 50 CDAA CC1(C)[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21 83251929 KRWNMSSUYLJMJW-AOOOYVTPSA-N 259.261 1.530 0 50 CDAA CC[C@@H](NC(=O)CCCN1Cc2ccccc2C1)C(=O)O 426387045 GTTVDCDWKNZLOU-CQSZACIVSA-N 290.363 1.762 0 50 CDAA N[C@@H]1CC[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 335567947 IYQABHRPQKLBLQ-JKSUJKDBSA-N 287.407 1.990 0 50 CDAA CCc1nnc2ccc(N3CC[C@]4(CCN(C)C4)C3)nn12 292402991 VAJBKGGQWPNEDD-HNNXBMFYSA-N 286.383 1.219 0 50 CDAA Cn1nc(C(=O)NCCc2cnn[nH]2)cc1-c1ccccc1 426705963 XXMCBDAXDOZBOF-UHFFFAOYSA-N 296.334 1.178 0 50 CDAA CCO[C@@H](C)C(=O)N(C)Cc1noc(CC(C)C)n1 426486186 PCBDODHVARMJPB-JTQLQIEISA-N 269.345 1.652 0 50 CDAA COc1csc(C(=O)N2CCC[C@H](C)[C@@H]2CN)c1 161697351 ZVOXAHFLQGNCEM-ONGXEEELSA-N 268.382 1.956 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)c1ccon1 97743058 NZWWKKRQYWGTEL-UHFFFAOYSA-N 258.237 1.483 0 50 CDAA CCNc1ncc(CN2CCCC[C@H]2CC(=O)O)cn1 97772898 VEJWFVQQUJURAV-LBPRGKRZSA-N 278.356 1.738 0 50 CDAA OC[C@H]1CCCCN1CCCNc1ccncn1 95355255 FTJFVXYHODESRK-GFCCVEGCSA-N 250.346 1.125 0 50 CDAA C[C@H](CNC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)O 237436237 KIGVMVQEKBHCMK-OCCSQVGLSA-N 290.363 1.488 0 50 CDAA CN1CCCCC[C@H]1C(=O)N1CCc2n[nH]cc2C1 92065913 OUEVAEKCDUWRBK-ZDUSSCGKSA-N 262.357 1.169 0 50 CDAA O=C1CC[C@@]2(CCOC2)CN1Cc1nnc2ccccn12 91486589 GWYJPQSYSCQJBD-OAHLLOKOSA-N 286.335 1.258 0 50 CDAA CCCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)o1 95380318 FQNRWMDEFILHBG-ZDUSSCGKSA-N 294.399 1.571 0 50 CDAA C[C@@H](C(=O)NCCCn1ccc2ccccc21)n1cnnn1 524732609 DPTKPNVWZOWHFS-LBPRGKRZSA-N 298.350 1.395 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 245227008 WCFFSIHYUQAEPU-LESCFKLSSA-N 299.282 1.248 0 50 CDAA CC[C@H](NC(=O)CCCc1cn[nH]c1)[C@H]1C[C@H](O)C1 244691913 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CCN(Cc1noc(C2CC2)n1)C(=O)NC[C@@H](C)N(C)C 534632497 LOXUZDKXPMITJR-SNVBAGLBSA-N 295.387 1.429 0 50 CDAA C[C@@H](NC(=O)CCc1cnn(C)c1)c1nc(C2CC2)no1 534638579 UTDQONZAVWDZPU-SECBINFHSA-N 289.339 1.491 0 50 CDAA O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCc2c[nH]nc2C1 370435462 ZQECDFGREOFTNE-GFCCVEGCSA-N 299.330 1.355 0 50 CDAA Cc1nc(N)sc1-c1ccn(CCN(C)C)n1 299794307 JQSFZPDANTYEES-UHFFFAOYSA-N 251.359 1.459 0 50 CDAA Cc1nccc(N2CCOC3(CCN(C)CC3)C2)n1 645384333 AFOVTTOOPJSQGW-UHFFFAOYSA-N 262.357 1.086 0 50 CDAA Cc1ccsc1CN(C)C(=O)Nc1cn(C)nn1 299769459 NOLCGZNULQSZIN-UHFFFAOYSA-N 265.342 1.849 0 50 CDAA CC[C@@H](NC(=O)CN1CCOCC1)c1cccc(C)n1 299787345 WEDNSTJFEFXMBP-CYBMUJFWSA-N 277.368 1.290 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)c1cnc(C2CC2)nc1O 825109475 JQHSIYVVZHROSL-UHFFFAOYSA-N 287.323 1.330 0 50 CDAA CC(C)CC(=O)N1CCN(C(=O)C[C@@H]2CCOC2)CC1 584898762 NEQBVTOOKHAOMG-ZDUSSCGKSA-N 282.384 1.130 0 50 CDAA Cc1n[nH]c(=N[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)o1 583616738 KYPIUVIAVGMOQX-SFYZADRCSA-N 264.251 1.237 0 50 CDAA CCc1nc(CN(C)[C@H](C)CCn2cccn2)no1 670445149 RIBRERXBEMTQAG-LLVKDONJSA-N 263.345 1.739 0 50 CDAA CC(=O)N1CCCN(Cc2nnc(C(F)F)s2)CC1 980584002 DHUJEJQHPLHDAX-UHFFFAOYSA-N 290.339 1.530 0 50 CDAA Cc1nc(CC(=O)N2CC[C@H]([C@@H](F)C(=O)O)C2)cs1 1548598512 LCDGERNSXCRSSI-GZMMTYOYSA-N 286.328 1.265 0 50 CDAA Cc1nc(CN2CCC[C@](CO)(CN(C)C)C2)n(C)c1C 952978602 BHYDPZUOYGFHJQ-INIZCTEOSA-N 294.443 1.173 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2ncccc2C)[C@H]2CCO[C@H]21 1565515942 LAPDCSZKYRYBIG-UVLXDEKHSA-N 276.336 1.170 0 50 CDAA CC(=O)Nc1ccc(F)c(C(=O)N2CCCCO2)c1 170603960 BFOXEXHBHMJIQG-UHFFFAOYSA-N 266.272 1.952 0 50 CDAA COCC[C@@H](NC(=O)[C@H](C)c1c(C)noc1C)C(=O)OC 408516956 NNXXZYAHDOLMRQ-LDYMZIIASA-N 298.339 1.089 0 50 CDAA CC1=CCC[C@H](C)[C@H]1CN1CCO[C@H](C(N)=O)C1 170604345 NPDGOOAUTQYALC-AVGNSLFASA-N 252.358 1.165 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2ccoc2)C[C@H]1C 170610022 MGEMLJBCHLOQSZ-KOLCDFICSA-N 251.282 1.551 0 50 CDAA C[C@@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1F 268988100 QRYKSDKQPGVUPK-GWCFXTLKSA-N 295.310 1.631 0 50 CDAA CNc1cc(N2CCC[C@@H](CCC(N)=O)C2)ncn1 892284846 OHMCMQNMLIPEFI-JTQLQIEISA-N 263.345 1.000 0 50 CDAA COC(=O)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C 95802876 PCTAHDKKGGKHQK-VIFPVBQESA-N 255.314 1.949 0 50 CDAA in-vitro CC(C)[C@H](CN[C@H]1CCOC1)ONC(=O)OC(C)(C)C 398827651 CNJHTUQJDFQOBX-RYUDHWBXSA-N 288.388 1.846 0 50 CDAA C[C@H](N[C@H](C)c1ccc(F)c(F)c1)c1nnnn1C 189737853 RFGCSNSPEXQHAX-SFYZADRCSA-N 267.283 1.900 0 50 CDAA C[C@H](CNC(=O)c1ccc(C(=O)O)cn1)Cn1ccnc1 649459704 VUBYBDOAKYLGIJ-SNVBAGLBSA-N 288.307 1.042 0 50 CDAA O=C(NCc1cccnc1N1CCCC1)N1CCCC1 664314392 JLUNLUWDPSGUIV-UHFFFAOYSA-N 274.368 1.987 0 50 CDAA FC(F)(F)[C@H]1CN(c2ccc(Cl)nn2)CCO1 71575761 VWLZXEFKSGZQME-ZCFIWIBFSA-N 267.638 1.898 0 50 CDAA CC(C)CO[C@H](C)C(=O)N(C)Cc1nnc2ccccn12 585146031 OQQCKPCWIIFMGL-GFCCVEGCSA-N 290.367 1.749 0 50 CDAA CCOc1ccc(CC(=O)N2CC[C@H](CO)C[C@@H]2C)nc1 1615044618 JKFFXOURKCQUDQ-STQMWFEESA-N 292.379 1.642 0 50 CDAA N[C@H]1CC12CC(NC(=O)Cc1cccc3cnccc13)C2 1615547903 VXDXFGXGXAIVEF-GULBITTBSA-N 281.359 1.773 0 50 CDAA CS(=O)(=O)c1ccc(CN2CCC[C@@H]2C2(O)CC2)cc1 1772818693 JYUQFUMRHQQVJL-CQSZACIVSA-N 295.404 1.579 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CC(C)(C)OCC1(C)C 900723103 NATORXXIWNBYBJ-UHFFFAOYSA-N 282.384 1.437 0 50 CDAA CCSCCN1CCC[C@@](CO)(CN(C)C)C1 1506400254 BGCDYONHSBOFML-CYBMUJFWSA-N 260.447 1.376 0 50 CDAA O=C([C@@H]1Cc2ccccc2O1)N1CCc2[nH]ncc2C1 215739595 DHJZOFAGIDRHRI-AWEZNQCLSA-N 269.304 1.298 0 50 CDAA CCc1ccc(CN(C)C(=O)c2cn(C)cn2)nc1 1857684281 GOQHWAXBLJSSII-UHFFFAOYSA-N 258.325 1.650 0 50 CDAA CN(C)c1nc(NC[C@H]2CCCOC2)ncc1F 1704324591 AXDRQCZMEIMTBT-SECBINFHSA-N 254.309 1.520 0 50 CDAA C[C@H]1CN(c2ncc(F)c(N(C)C)n2)C[C@]1(O)C1CC1 219867019 BDGXZCDUXZGHGK-LKFCYVNXSA-N 280.347 1.279 0 50 CDAA Nc1nnc(Br)c(-c2ccccc2)n1 118632263 HDABPGYKVQWCNG-UHFFFAOYSA-N 251.087 1.883 0 50 CDAA N[C@@H](CC1CCCCC1)C(=O)N1CCOCC(F)(F)C1 634740388 WJIROGRHCWPBKH-LBPRGKRZSA-N 290.354 1.778 0 50 CDAA CC1(CC(=O)N2CCC(CS(C)(=O)=O)CC2)CC1 331921613 FOCKPUIAFZANBI-UHFFFAOYSA-N 273.398 1.460 0 50 CDAA Cc1cc(C)c(C(=O)NC[C@@H]2CCNCC2(F)F)o1 334582943 QIXBCAUTMCGDCL-JTQLQIEISA-N 272.295 1.871 0 50 CDAA CC[S@@](=O)(=NC(=O)c1ccnn1CCF)C(C)C 1875297375 NGKKFVQYUGHIDS-SFHVURJKSA-N 275.349 1.889 0 50 CDAA O=C(N[C@@H]1CCCC[C@@H]1CO)[C@@H]1CC12CCNCC2 231316194 KZFLCDFUBJTKOW-FRRDWIJNSA-N 266.385 1.043 0 50 CDAA COCCN1CCN(C[C@H]2CCCCO2)C[C@@H]1C 247101635 IFPSMSFNHFHRTL-UONOGXRCSA-N 256.390 1.208 0 50 CDAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1cnc(O)c(Cl)c1 1772805944 WAWLWCOWIBYRPY-RYUDHWBXSA-N 295.770 1.797 0 50 CDAA CCN(CC)[n+]1nc(-c2cccc(Cl)c2)n[nH]1 5591649 PYWRHXPTMGHYGC-UHFFFAOYSA-O 252.729 1.390 0 50 CDAA COc1ccccc1NN=c1c(=O)c2ccccc2c1=O 5005618 PXQIWRIRWKSFQA-UHFFFAOYSA-N 280.283 1.372 0 50 CDAA NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 5023355 ZBZMJPFOGPGRIG-UHFFFAOYSA-N 256.261 1.903 0 50 CDAA O=C(O)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 11890632 MQRAXDIFYJBZCA-LLVKDONJSA-N 297.357 1.852 0 50 CDAA Cc1cccc2c1NC(=O)[C@]2(O)N1CCC[C@@H](C)C1 13151258 NLTGZYXSRUOCDQ-BMIGLBTASA-N 260.337 1.824 0 50 CDAA C[C@H]1CCCN(C[C@@H](O)COc2ccc3c(c2)OCO3)C1 13154394 HCCKNZYVNMCZOW-QWHCGFSZSA-N 293.363 1.887 0 50 CDAA Cc1cccc(CNc2nc3nonc3nc2N(C)C)c1 15063857 PZQLLGLFPYBDTK-UHFFFAOYSA-N 284.323 1.999 0 50 CDAA CCCCN(C)C(=O)Cn1c(CO)nc2ccccc21 15922139 SXJUWKPKXKHDGX-UHFFFAOYSA-N 275.352 1.787 0 50 CDAA O=c1cc(-c2ccccc2)nc(-c2cnccn2)[nH]1 16125250 KRRPZHCPLYVAGX-UHFFFAOYSA-N 250.261 1.894 0 50 CDAA CN(Cc1ccncn1)C(=O)CCC(=O)NC1CCCC1 19800324 CGRHKFSVKAXUPM-UHFFFAOYSA-N 290.367 1.274 0 50 CDAA O=C(Nc1cnc2ccccn2c1=O)C1CCOCC1 1857710153 JVGFHJHFRWTKJB-UHFFFAOYSA-N 273.292 1.060 0 50 CDAA CCc1oc(C(=O)N2CC[C@H](OC)C[C@H]2CN)cc1C 225570832 OGQNZFRNVKGJOK-RYUDHWBXSA-N 280.368 1.729 0 50 CDAA O=C1C[C@@H](c2ccc(-c3nnc4ccccn34)cc2)CN1 1875240847 HZZPYVCZSKUUJJ-CYBMUJFWSA-N 278.315 2.000 0 50 CDAA CC[C@@H](C)[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O 261905 RUUWUOYPIXTMLF-LDYMZIIASA-N 261.277 1.782 0 50 CDAA in-vitro Cc1cc(CC(=O)N2CCC[C@@H](CCC(=O)O)C2)no1 237593303 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CDAA COc1ccc(C(=O)N[C@@H](C)c2nc(C3CC3)no2)cn1 534640819 YGJBQOJBIFILMH-QMMMGPOBSA-N 288.307 1.842 0 50 CDAA O=C(C1CCCC1)N1CCC(N=c2cncc[nH]2)CC1 534632958 OEFRRLQWUZOJJM-UHFFFAOYSA-N 274.368 1.492 0 50 CDAA Cc1n[nH]cc1-c1ccc(S(=O)(=O)CCC(=O)O)cc1 534658947 KVDIGYPQKHZWAH-UHFFFAOYSA-N 294.332 1.634 0 50 CDAA Cn1ncc2c(=N)[nH]c(-c3ccc(C(=O)O)cc3)nc21 534639432 SXRQWTXAKFRZAX-UHFFFAOYSA-N 269.264 1.141 0 50 CDAA Cc1nonc1CN1CCC[C@@H](c2nnc3ccccn23)C1 265633686 GPYIJDKIMOKHAW-GFCCVEGCSA-N 298.350 1.800 0 50 CDAA CC(C)c1cc(CN(C)C(=O)[C@@H](C)n2cncn2)on1 299762309 TYSJTQXHZPSGAP-SNVBAGLBSA-N 277.328 1.609 0 50 CDAA O=C(Cc1ccsc1)NCC1CCS(=O)(=O)CC1 299754981 ARZHWQMLPPJTEQ-UHFFFAOYSA-N 287.406 1.232 0 50 CDAA O=S(=O)(NCC1(C(F)(F)F)CCNCC1)C1CC1 725264707 LPYFHLIJOHIWEH-UHFFFAOYSA-N 286.319 1.000 0 50 CDAA CCNc1nc(C)c(-c2ncnn2CCO)s1 828778442 PRTHQXLNICPMQU-UHFFFAOYSA-N 253.331 1.134 0 50 CDAA CNc1nc(NCC2(N(C)C)CCN(C)CC2)ncc1F 824090528 HLCKDMVYDQTPHG-UHFFFAOYSA-N 296.394 1.095 0 50 CDAA CC[C@@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 491292085 OIFWTZAVEOPHDS-GFCCVEGCSA-N 299.415 1.454 0 50 CDAA CC(C)Cc1noc(CN(C)C(=O)c2cncn2C)n1 584894852 IZCJGAYAIMLWJO-UHFFFAOYSA-N 277.328 1.274 0 50 CDAA CC[C@H](NC(=O)CCCn1cnnn1)c1cccc(C)n1 584903715 GRQAOCYLRDBIAK-LBPRGKRZSA-N 288.355 1.424 0 50 CDAA CCOC(C)(C)C(=O)N(C)Cc1nnc(CC)o1 584888916 HMNQRSQPZABPFQ-UHFFFAOYSA-N 255.318 1.406 0 50 CDAA Cc1cccc(C[C@@H](C)N=c2nn[nH]n2-c2ccccc2)n1 670460729 UVZIQOVEPKIDPF-CYBMUJFWSA-N 294.362 1.831 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CC[C@H](C(=O)O)C2)s1 269175843 JOIYBOLJCRFDMT-HPOULIHZSA-N 266.322 1.398 0 50 CDAA Cn1ncn(Cc2ccccc2C(F)(F)F)c1=O 271157730 NRYKFSXTOXLKOW-UHFFFAOYSA-N 257.215 1.649 0 50 CDAA COC(=O)[C@@H](N[C@@H]1CCSC1)c1ccc(O)cc1 170088962 TYOOPTJKBDVHDV-PWSUYJOCSA-N 267.350 1.701 0 50 CDAA COc1cc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)on1 170082737 RERPJHOZMQPQED-UHFFFAOYSA-N 276.174 1.677 0 50 CDAA Cc1cnc(NC(=O)c2c[nH]c(=O)c3ccccc23)[nH]1 170088594 KHBOPBZWVUEPTR-UHFFFAOYSA-N 268.276 1.812 0 50 CDAA CC(=O)NCCNC(=O)c1cc(C)n(-c2ccccc2)n1 170623566 JQHUOKXLUBMRPW-UHFFFAOYSA-N 286.335 1.047 0 50 CDAA O=C(NC[C@H]1Cc2ccccc2CN1)N1CC(F)C1 892800293 NWZWBDMGPORKDA-CYBMUJFWSA-N 263.316 1.064 0 50 CDAA Nc1ccncc1C(=O)N1CCC[C@H](N2CCCC2)CC1 188225594 FDRXXYFOENPIBG-ZDUSSCGKSA-N 288.395 1.754 0 50 CDAA COc1ccccc1CCN(C)C(=O)[C@H]1C[C@H](F)CN1 188526782 LPWHNCSLXDCDSO-QWHCGFSZSA-N 280.343 1.396 0 50 CDAA CCN(Cc1cnn(C)c1)C(=O)[C@H]1CCCO[C@H]1C 190435974 NBCKWSLRQZKPLB-AAEUAGOBSA-N 265.357 1.584 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1occc1C(C)C 643938592 SMQHCVGFWMAGMH-OAHLLOKOSA-N 294.351 1.510 0 50 CDAA CNC(=O)c1cccc(CCN[C@H]2CCOC[C@@H]2C)c1 192593839 PVROWHDGBXUMMR-WFASDCNBSA-N 276.380 1.603 0 50 CDAA CC(C)N(C)C(=O)[C@H]1CCCN1C1CCOCC1 192940185 CTVOFHCQACHAKX-CYBMUJFWSA-N 254.374 1.497 0 50 CDAA Oc1nnc(SCc2cnn(-c3ccccc3)n2)[nH]1 194618442 BRQWXHGFKOQHQR-UHFFFAOYSA-N 274.309 1.383 0 50 CDAA CCc1c(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)oc2ccccc12 652791592 UIVIXPPYYLLKPB-AOOOYVTPSA-N 286.331 1.989 0 50 CDAA Cc1ncc(CNc2ccc(N3CCOCC3)cn2)n1C 574651561 NUXSRCRAOCGQBA-UHFFFAOYSA-N 287.367 1.572 0 50 CDAA CO[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)O)C1CC1 668281979 HIUHCPWXPIUSOB-ZYHUDNBSSA-N 255.314 1.267 0 50 CDAA Cc1nc[nH]c1CNC(=O)[C@@H]1CCc2cnc(C)n2C1 580719160 PQZLIVJEZUUMES-LLVKDONJSA-N 273.340 1.102 0 50 CDAA CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc[nH]3)C2)nn1 583617496 FCYNWZJODMJOTP-OAHLLOKOSA-N 289.383 1.671 0 50 CDAA CCSCCN1CCC[C@H]1C(=O)N=S(C)(C)=O 585094440 DJPKRNVNOHZRIT-JTQLQIEISA-N 278.443 1.458 0 50 CDAA CC(C)CO[C@H](C)C(=O)Nc1cc(CO)cc(CO)c1 585131009 IXSWKLJXQFNWEH-LLVKDONJSA-N 281.352 1.671 0 50 CDAA CC[C@H]1C(=O)NCCN1Cc1ccc2oncc2c1 585117717 UKKCIIIQDZHTJL-LBPRGKRZSA-N 259.309 1.538 0 50 CDAA Cc1nc2ccc(NCc3c(C)n[nH]c3C)cn2n1 585118731 ZVPHPPHBSHUOPR-UHFFFAOYSA-N 256.313 1.990 0 50 CDAA C=CC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 685940205 XXVVOYCTPZIAJM-NSHDSACASA-N 260.341 1.854 0 50 CDAA O=Cc1cc(I)cc(CO)c1 694937133 CIAOAHKAARMOSK-UHFFFAOYSA-N 262.046 1.596 0 50 CDAA CCN(C)c1cc(N(C)CC2(C)COC2)ncn1 1148715480 GEKCFQSZMNLELU-UHFFFAOYSA-N 250.346 1.405 0 50 CDAA CC(C)n1cc2c(n1)[C@@H](NC(=O)Cn1ccnc1)CCC2 781055693 NEWVKZVULKFGDQ-ZDUSSCGKSA-N 287.367 1.854 0 50 CDAA Cc1cc(CN[C@@](C)(C(=O)O)c2ccccc2)nn1C 1615003036 YAOSWZIPGGXIBL-OAHLLOKOSA-N 273.336 1.818 0 50 CDAA CNC(=O)c1ccc(N2CC[C@@H](O)CC(C)(C)C2)nc1 1615044985 ZXBCIHOWKBINPG-GFCCVEGCSA-N 277.368 1.429 0 50 CDAA CC[C@@H](C)[C@H](C(=O)Nc1ccc(OC)nc1)n1cnnn1 1615152073 PGWKYYVOKJEXHT-BXKDBHETSA-N 290.327 1.303 0 50 CDAA CNc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CC1(C)C 1615586719 REQUQORXBBPEFC-SECBINFHSA-N 297.380 1.360 0 50 CDAA O=C([C@@H]1NCc2ncncc21)N1CCc2ccccc2CC1 1615613598 AOVKKGPXSZFBGK-MRXNPFEDSA-N 294.358 1.248 0 50 CDAA COc1cc(C(=O)N2CCC[C@H]2C2(O)CC2)ccc1F 1772814471 BJDXMTYBIOTHKK-ZDUSSCGKSA-N 279.311 1.964 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@H](C)c2ccc(F)cc2F)n1 1506400418 MSMQIFNLZAGSQY-SECBINFHSA-N 294.305 1.929 0 50 CDAA COCCNC(=O)COc1ccc(Cl)c(C)c1 2824422 AZPREBWRYXXMEC-UHFFFAOYSA-N 257.717 1.790 0 50 CDAA Cc1nn(C)cc1NC(=O)c1c(C)nc2ncccn12 1529144034 DOEUINLVOYXEPP-UHFFFAOYSA-N 270.296 1.332 0 50 CDAA Cc1ccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)nc1 1529166967 GDERLAIGHZBUCD-NVXWUHKLSA-N 283.375 1.820 0 50 CDAA CN(c1ncnc(N)c1Cl)[C@@H]1CCCC[C@H]1O 300488811 PABSAQCXLZGZOQ-HTQZYQBOSA-N 256.737 1.452 0 50 CDAA CCCC1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCC1 408271159 MMNCNPVNOBIDJS-LLVKDONJSA-N 288.413 1.107 0 50 CDAA C[C@@H](N(C)C(=O)NC[C@@H]1COCCO1)C1(C)CC1 408418666 ATTMLVPQGPMLRA-GHMZBOCLSA-N 256.346 1.232 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(CCNC(=O)CC2)C1 110915002 HGVWDUJGUKCNHN-AWEZNQCLSA-N 268.357 1.914 0 50 CDAA in-vitro Cn1cnc(CNC(=O)c2cc(Cl)cc(F)c2N)n1 225806259 CVLLOPPRYVAJTQ-UHFFFAOYSA-N 283.694 1.120 0 50 CDAA COc1nc(N2CCCN3CCC[C@H]3C2)ncc1F 1704304165 AXYTYKRKDBWKNR-JTQLQIEISA-N 266.320 1.299 0 50 CDAA CO[C@]1(C)C[C@@H](NC(=O)C2(N(C)C)CCC2)C1(C)C 119491990 SNOAXNGKAPAXDL-BXUZGUMPSA-N 268.401 1.791 0 50 CDAA CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CCC2CC2)C1 334173004 BOAZHILUWXHBMZ-UONOGXRCSA-N 286.441 1.532 0 50 CDAA C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)CC(C)(C)C 341194358 SSWYIENGBCJQAK-WDEREUQCSA-N 291.413 1.131 0 50 CDAA C=CC(=O)N(C)CC(=O)NCCc1nc(C)c(C)s1 860124904 GIELDOVUBMXJOF-UHFFFAOYSA-N 281.381 1.063 0 50 CDAA CC[C@H](NC(=O)c1cnc2ccsc2c1)C(=O)O 579071170 PPNULPXQACNIJM-QMMMGPOBSA-N 264.306 1.889 0 50 CDAA O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cncc(F)c1 124857386 PCYDXGKSMWNMAG-KBPBESRZSA-N 272.279 1.609 0 50 CDAA C[S@](=O)C[C@](O)(c1ccccc1)c1ccccn1 5390192 JPZFDXJHIOXEQL-KBXCAEBGSA-N 261.346 1.696 0 50 CDAA CN(C)C(=O)c1ccc(NC(=O)CCC(=O)O)cc1 13625042 FIIPLDKJNZYJFV-UHFFFAOYSA-N 264.281 1.192 0 50 CDAA CC[C@@H](C(=O)N(C)C)N(c1ccccc1)S(C)(=O)=O 13710961 IACNCKDZAVJSKG-LBPRGKRZSA-N 284.381 1.319 0 50 CDAA CN(C)CC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 14964288 QDNOZEQSKRXOAZ-CQSZACIVSA-N 293.386 1.468 0 50 CDAA Cc1ccnc(S[C@@H](C)C(=O)NC2=NCCS2)n1 16606338 JNNGBIIGOMATJB-QMMMGPOBSA-N 282.394 1.485 0 50 CDAA C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(CC(=O)O)n1 19093549 FADRJUMYOZQSFZ-ZCFIWIBFSA-N 270.289 1.018 0 50 CDAA in-vitro C[C@H](NC(=O)C1Cc2ccccc2C1)c1n[nH]c(=N)s1 1857686168 KOFNEEKIGXWHRT-QMMMGPOBSA-N 288.376 1.543 0 50 CDAA CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(F)cn1 123305174 TZCOKWXFVAQLDT-JTQLQIEISA-N 280.303 1.353 0 50 CDAA CC(C)[C@@](C)(O)CNC(=O)c1cn(C)nc1-c1ccoc1 225721387 WNFYRJLKZYIVNR-HNNXBMFYSA-N 291.351 1.817 0 50 CDAA CC(C)c1nc([C@H]2CCCCN2Cc2nnnn2C)n[nH]1 408473676 AMADDGCMFFDNKZ-SNVBAGLBSA-N 290.375 1.179 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NC1(c2ccccc2)CCC1 225457557 CLDCQOAJGWQHCB-NEPJUHHUSA-N 259.305 1.903 0 50 CDAA Cc1cc(C)cc(NC(=O)C(=O)NCc2cccnc2)c1 2966877 UXCHVIRIBXFOPU-UHFFFAOYSA-N 283.331 1.953 0 50 CDAA Cc1ccn(CC(=O)N2Cc3ccccc3C[C@H]2C(=N)O)n1 336241080 OLDOWFOOUCOYDB-AWEZNQCLSA-N 298.346 1.680 0 50 CDAA CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)C3CC3)C2)n[nH]1 669678957 CXEXTVGTDZRKJS-NSHDSACASA-N 290.367 1.274 0 50 CDAA CSc1ccccc1[C@@H](C)NC(=O)NCC(=O)N(C)C 252495821 PCBSFMHYGUAYJN-SNVBAGLBSA-N 295.408 1.857 0 50 CDAA CO[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CC[C@@H](O)C2)C1 252537642 LXTUOFLFWFYROH-WUHRBBMRSA-N 270.373 1.404 0 50 CDAA CCO[C@H](C)c1nccn1CC(=O)N1CCOC(C)(C)C1 901529116 OCJZAJFDHRWJRN-GFCCVEGCSA-N 295.383 1.618 0 50 CDAA COc1ccc(CN2C[C@H]3COC[C@@H]2CN(C)C3)cc1O 1704326327 UYMPRCQOLBYORQ-KBPBESRZSA-N 292.379 1.163 0 50 CDAA CC(C)[C@@H](CO)ONC(=O)C12CCC(C(=O)O)(CC1)CC2 911810655 CHZZEPZCRLYXRU-VCANKDNSSA-N 299.367 1.476 0 50 CDAA Cc1nn(CC(=O)N2CC(CC(F)F)C2)c2ncccc12 823282030 ZIKFBHIWISABDP-UHFFFAOYSA-N 294.305 1.853 0 50 CDAA C[C@]1(C(=O)NC[C@@](C)(O)c2cccc(F)c2)CCCOC1 928477527 VONHOPBRGCPTFI-JKSUJKDBSA-N 295.354 1.966 0 50 CDAA Cc1ncc(CN2CCC[C@@H](c3nc(O)n[nH]3)C2)o1 930498801 PTUULCIZIDNHGT-SECBINFHSA-N 263.301 1.186 0 50 CDAA C[C@H]1C(=O)NCCN1C(=O)Nc1cncc(Cl)c1 932117570 UALGLVSYWRBVAK-ZETCQYMHSA-N 268.704 1.087 0 50 CDAA FC(F)(F)c1nnc2ccc(NC[C@H]3CCCO3)nn12 12879259 CTSXWAPWHUVJTG-SSDOTTSWSA-N 287.245 1.734 0 50 CDAA COCc1nc(=NC(=O)N2CCC[C@@H]2C2CCC2)o[nH]1 1875296654 HHCWYODIEBEXFF-SNVBAGLBSA-N 280.328 1.434 0 50 CDAA COc1ccc(=O)n(Cc2ccc3nsnc3c2)n1 1875340331 WCAOHLMRXGDSLU-UHFFFAOYSA-N 274.305 1.305 0 50 CDAA O=C(N[C@@H]1CCC[C@@H]1F)NC1(CO)CC(F)(F)C1 1875301235 GQZHUKXCLWUREA-JGVFFNPUSA-N 266.263 1.336 0 50 CDAA CN1CCCN(C(=O)/C=C/c2ccc(C(=O)O)cc2)CC1 888095974 MMFWEZQRZKIOAU-VMPITWQZSA-N 288.347 1.562 0 50 CDAA O=C(c1cccc2c[nH]nc12)N1CC(N2CCCC2=O)C1 888763571 FCFSXOPKTSFJBD-UHFFFAOYSA-N 284.319 1.010 0 50 CDAA COCCc1nsc(NCc2ncc(C)[nH]2)n1 894791096 SKXSNMOBMKMRFG-UHFFFAOYSA-N 253.331 1.371 0 50 CDAA Cc1cccnc1C(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961745 WQJUSBXLDNDUDA-MNOVXSKESA-N 287.323 1.158 0 50 CDAA Cc1cnc(C)c(NCC2CCS(=O)(=O)CC2)n1 32587218 ZYAHLKMYORTBHL-UHFFFAOYSA-N 269.370 1.330 0 50 CDAA CC(C)(CN)NS(=O)(=O)c1cc(Cl)ccc1F 261683792 ALKLCQDDFFPICD-UHFFFAOYSA-N 280.752 1.495 0 50 CDAA CCOCCC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77357794 XONXFYBZCPRAOM-LLVKDONJSA-N 251.330 1.542 0 50 CDAA COC[C@@H]1CCCN1C(=O)c1c(C)[nH]c(C(=O)O)c1C 426389493 RYGGOOBAFKKORW-JTQLQIEISA-N 280.324 1.581 0 50 CDAA CC1(C)CC(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C1 95390814 OEWHFVDVVJGPDZ-UHFFFAOYSA-N 281.377 1.849 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](O)CC(C)(C)C1 395372709 GJHDMADUHXULLU-LBPRGKRZSA-N 279.384 1.579 0 50 CDAA Oc1ccc2c(c1)CN(C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 929992693 VEIAUJGAWSFGPL-KBMXLJTQSA-N 275.348 1.554 0 50 CDAA Cc1nc2sc3c(c2c(=N)n1N)CC(C)(C)OC3 4625604 WKCJJIMAVFEMID-UHFFFAOYSA-N 264.354 1.451 0 50 CDAA CC(=O)c1cc2c(cc1NC(=O)CCC(=O)O)OCO2 372327 WEOUVOPMAFJEHU-UHFFFAOYSA-N 279.248 1.421 0 50 CDAA COC(=O)c1nc(N2CCC(O)CC2)c2sccc2n1 2325802005 APFWUXYWJKYNFV-UHFFFAOYSA-N 293.348 1.439 0 50 CDAA COc1ccccc1C(=O)Nc1ccc([S@](N)=O)cc1 41401 WGCRXNJLXDTZDE-FQEVSTJZSA-N 290.344 1.929 0 50 CDAA O=C(O)CNc1ncnc2ccc(Br)cc12 64895 HLEPTPCIBCYAQS-UHFFFAOYSA-N 282.097 1.889 0 50 CDAA O=C(O)c1ccc(NC(=O)c2nccnc2C(=O)O)cc1 175797 BJQMZEDTXXPBFN-UHFFFAOYSA-N 287.231 1.125 0 50 CDAA Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1 207859 KUFKGDZHWPMXNX-LMOYCYGVSA-N 285.299 1.366 0 50 CDAA biogenic Cn1c(=O)n(CC(=O)Nc2cccnc2)c2ccccc21 611323 LCKPJFZZCAWHGD-UHFFFAOYSA-N 282.303 1.374 0 50 CDAA COC(=O)c1ncccc1OCc1ccc2c(n1)NCC2 2356141240 ZJHODLQRNBRHTA-UHFFFAOYSA-N 285.303 1.810 0 50 CDAA N[C@@H]1CC[C@@H](N=c2[nH]oc(-c3ccccc3)c2C(=O)O)C1 2356145101 AQEUMBYTDQYOIK-GHMZBOCLSA-N 287.319 1.753 0 50 CDAA C/C=C/C=C/C(=O)Nc1ccc(S(N)(=O)=O)cc1 2166294 FDDJHFOPCJCDPW-MQQKCMAXSA-N 266.322 1.405 0 50 CDAA COCCNC(=O)Nc1cc(OC)ccc1OC 2171709 RBKSQJWZMQKXQG-UHFFFAOYSA-N 254.286 1.472 0 50 CDAA CCOCC(=O)N1CCN(c2cccc(C)c2C)CC1 2842177 ABTVFHSIEAEHPC-UHFFFAOYSA-N 276.380 1.989 0 50 CDAA CCOc1cc(Cl)c(CNCCO)cc1OC 4856924 SICDGYPFKNJBSB-UHFFFAOYSA-N 259.733 1.829 0 50 CDAA COc1ccc(CN2CCC[C@@H](O)C2)c(OC)c1OC 4990289 JVARUSOZNFPFEX-GFCCVEGCSA-N 281.352 1.669 0 50 CDAA Cc1cc(NS(=O)(=O)c2ccc(Cl)nc2)no1 6858578 SVGRVNCEPNTLSN-UHFFFAOYSA-N 273.701 1.832 0 50 CDAA Cc1ccn(Cc2nnnn2-c2ccccc2)c(=O)c1 225442966 LXTKBOOGWLZVMR-UHFFFAOYSA-N 267.292 1.181 0 50 CDAA CCOc1cccc(Cn2ccc(=O)c3cnn(C)c32)n1 225824231 KVJDEZHDHXUYIA-UHFFFAOYSA-N 284.319 1.577 0 50 CDAA CSc1ccccc1C(=O)NCCCN1CCOCC1 20567872 ZMCUHOYGPAOJSS-UHFFFAOYSA-N 294.420 1.861 0 50 CDAA CCOCCC(=O)Nc1n[nH]c2c1c(CC)nn2C 115498544 VFPDOLMURHLEAU-UHFFFAOYSA-N 265.317 1.224 0 50 CDAA Oc1n[nH]c(CN2CCC[C@H]2Cc2cc(F)ccc2F)n1 419301685 OFZCALBBIJQTGY-NSHDSACASA-N 294.305 1.996 0 50 CDAA CCCc1nc(C)cc(N[C@H]2CN(C(C)C)C[C@@H]2O)n1 65417525 HVHLGBKBFKVPHY-STQMWFEESA-N 278.400 1.603 0 50 CDAA O=C(O)[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1 59612884 CORSVESTDJTBDT-QWRGUYRKSA-N 267.256 1.820 0 50 CDAA CC[C@H](N)CC(=O)NC[C@H](c1ccco1)N(C)C 135552092 VDIPEWYFSIOQQJ-WDEREUQCSA-N 253.346 1.126 0 50 CDAA O=C(N1CCC[C@@H]([C@H]2CCCCN2)C1)C(F)(F)F 306254359 OTDXOACONCIDHG-NXEZZACHSA-N 264.291 1.929 0 50 CDAA Fc1cc(Br)cnc1N1CCOCC1 116899109 FTAJAYDJLKWPBI-UHFFFAOYSA-N 261.094 1.820 0 50 CDAA CN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1 28455803 MOIWSUQWIOVGRH-UHFFFAOYSA-N 278.743 1.604 0 50 CDAA in-vitro CCN(C(C)=O)[C@@H]1CCN(c2nc(C)cc(C)n2)C1 65386773 CJJWQSRGVUNCEQ-CYBMUJFWSA-N 262.357 1.541 0 50 CDAA COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(Cl)c1O 87613 QCPFZFRUKODSMQ-OIBJUYFYSA-N 289.740 1.842 0 50 CDAA Cn1cc(Br)c(C(=O)NC2=NCCS2)n1 994400 WNENGXRMJNFQBX-UHFFFAOYSA-N 289.158 1.015 0 50 CDAA CC1=NN(C(=O)c2cc(C)n(C)n2)[C@](O)(C(F)(F)F)C1 1012140 BAMPRTKDGDTSRS-SNVBAGLBSA-N 290.245 1.201 0 50 CDAA CCOc1ccc([C@@H](CC(=O)O)n2cnnn2)cc1 1296264 ATXWWQXGHKYBJB-LLVKDONJSA-N 262.269 1.136 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCNC[C@H]1C 124346092 GDUAESQXMLIFOG-SNPRPXQTSA-N 258.365 1.919 0 50 CDAA C[C@@]1(O)CCCN(Cc2cccc(OCC(N)=O)c2)CC1 215546678 DKZCGCGSTLSQIK-MRXNPFEDSA-N 292.379 1.288 0 50 CDAA CCC[C@@H](NC(=O)c1cccn1C1CC1)C(=O)O 36856338 SFQCPWGWDRZXIE-SNVBAGLBSA-N 250.298 1.806 0 50 CDAA COCc1cc(CN[C@H]2C[C@H](C)N(C3CC3)C2)no1 333071011 AGRPLMXOCPXJQY-JQWIXIFHSA-N 265.357 1.536 0 50 CDAA COC(=O)[C@H](CCCN)NC(=O)OCc1ccccc1 36407110 CGWOYYFSONWCPS-LBPRGKRZSA-N 280.324 1.193 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3CC4)C[C@H]21 333260014 IRXDZSRIVNUOGW-KPRKPIBOSA-N 289.423 1.967 0 50 CDAA Cc1nnc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)s1 333539884 NRNGSPZLEUFJKF-GAIPPQHRSA-N 289.360 1.544 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)/C=C/c1ccc(C(=O)O)cc1 237231791 ZSOJUJCVXYHZHZ-LVDDQXARSA-N 289.331 1.893 0 50 CDAA C[C@@H]1CCC[C@H](OCC(=O)N2CCCC[C@@H]2CN)C1 237358082 ZWAFPDOFBODFFX-MCIONIFRSA-N 268.401 1.922 0 50 CDAA C[C@@H]1OCCN(C(=O)CCc2ccc(C(=O)O)cc2)[C@H]1C 237384278 QBAPCNOEEGPXMG-RYUDHWBXSA-N 291.347 1.953 0 50 CDAA C[C@@H](O)[C@@H](C)SCCN1C(=O)NC2(CCCC2)C1=O 172951425 JBDGJWUSJAPXII-NXEZZACHSA-N 286.397 1.354 0 50 CDAA Cc1cc(F)c(C(=O)N2CC[C@H](C(=O)O)C2)cc1F 237650071 UGBYAWGUJSDTDS-QMMMGPOBSA-N 269.247 1.820 0 50 CDAA CSCC[C@@H](O)C(=O)NCc1n[nH]c2c1CCCCC2 216451614 CXROGORHZAHDJZ-CYBMUJFWSA-N 297.424 1.409 0 50 CDAA O=C1NCCCC[C@H]1n1cnc2sccc2c1=O 32561839 PHPUQFJXEUYPLQ-SECBINFHSA-N 263.322 1.299 0 50 CDAA O=C(Cc1cccc(F)c1)NC[C@@H]1CCNCC1(F)F 449647944 QWGIVSAKRPLBOV-NSHDSACASA-N 286.297 1.729 0 50 CDAA O=C(N[C@@H]1CN2CCC1CC2)c1cn(-c2ccccc2)nn1 72164973 JXELNNAUCLLLSX-CQSZACIVSA-N 297.362 1.091 0 50 CDAA CC(C)c1cc(NCc2cc(=O)[nH]cn2)n2nccc2n1 72150750 AWRMZVPRIDMHPA-UHFFFAOYSA-N 284.323 1.548 0 50 CDAA COc1c(C)cc(CN(C)C(=O)[C@@H]2CSCN2)cc1C 157484453 JUFWIOIJYDGQSK-ZDUSSCGKSA-N 294.420 1.933 0 50 CDAA Cc1c(CC(=O)N(C)CC2CCN(C)CC2)cnn1C 339944443 BAZGOJZRMVWARW-UHFFFAOYSA-N 278.400 1.071 0 50 CDAA Cc1cnc(CN(C)[C@H]2CCOC3(CCOCC3)C2)[nH]1 77504826 MSZORWYRKDLSRQ-ZDUSSCGKSA-N 279.384 1.878 0 50 CDAA CN1CCC(NC(=O)c2cc(C3CC3)n(C)n2)CC1 336574369 PLDDJUKTTYSTAS-UHFFFAOYSA-N 262.357 1.122 0 50 CDAA O=S(=O)(NCc1ccccc1)NCc1ccccn1 71405660 LAILLRJKBHIGTQ-UHFFFAOYSA-N 277.349 1.206 0 50 CDAA NCCCC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 178085952 CHKCZTKGIWQVIF-UKRRQHHQSA-N 262.353 1.762 0 50 CDAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(SCCO)cc1 220483401 KWLZUNPEQPZXNZ-RDBSUJKOSA-N 293.388 1.678 0 50 CDAA CSCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 223924236 BLGZSJHLVGZFIK-KWBADKCTSA-N 266.366 1.373 0 50 CDAA Cc1nc(CCNC(=O)[C@H](C)Cn2cncn2)sc1C 222521343 MGTUMUGEVZALRS-SECBINFHSA-N 293.396 1.346 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(OC)o1 82115087 OYQCMDVESMYFKY-NSHDSACASA-N 294.351 1.761 0 50 CDAA N[C@@H]1CCCN(C(=O)c2ccccc2N2CCOCC2)C1 178329158 YUZQIOBNUKWUIV-CYBMUJFWSA-N 289.379 1.087 0 50 CDAA Cc1cccc(OCC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1 91595968 BNLIJKQFCSVASW-CABCVRRESA-N 274.364 1.570 0 50 CDAA C[C@@H]1CCC[C@H](O[C@H](C)C(=O)N(C)CC(=O)O)C1 237422737 MWQSWUONYTZKFC-MXWKQRLJSA-N 257.330 1.513 0 50 CDAA CN1CCC(C)(C(=O)N2CCC(c3cc[nH]n3)CC2)CC1 426484924 WEXQJSFVNAUAAY-UHFFFAOYSA-N 290.411 1.848 0 50 CDAA CCc1ncc(C(=O)N[C@@H]2COc3ccccc3C2)cn1 95377884 QOPIFSIWRKZDHP-ZDUSSCGKSA-N 283.331 1.773 0 50 CDAA Nc1ncc(C(=O)NC[C@@H]2CCCO2)c(-c2ccccc2)n1 97679797 CJBMVGBLFQLVPE-LBPRGKRZSA-N 298.346 1.635 0 50 CDAA Cc1ncc(C(=O)N[C@H]2COC3(CCCCC3)C2)c(=O)[nH]1 91706451 DSCWWHCVBWAIRZ-LLVKDONJSA-N 291.351 1.300 0 50 CDAA O=C(CCc1cnccn1)NC[C@@H]1COc2ccccc2C1 95506020 USGXWVUEOHIFIY-CYBMUJFWSA-N 297.358 1.777 0 50 CDAA Cc1cc(CC(=O)N2CCC(c3nccn3C)CC2)on1 91997347 CKIOJHKXYSFWEZ-UHFFFAOYSA-N 288.351 1.665 0 50 CDAA CC[C@@H](C(=O)NCCCc1ccccn1)n1cccn1 91678830 FFLPUYGOEJDNAZ-AWEZNQCLSA-N 272.352 1.978 0 50 CDAA CC(=O)c1ccc(-c2cnn([C@@H](C)C(N)=O)c2)cc1 96153048 KUAOYVVTPYIKBL-VIFPVBQESA-N 257.293 1.799 0 50 CDAA CCc1nccn1CC(=O)N[C@H](CC)[C@H]1C[C@H](O)C1 244831533 UFNDJOAGSGNUNV-IJLUTSLNSA-N 265.357 1.111 0 50 CDAA Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 621928905 WLHONLZRBFFUQK-SSDOTTSWSA-N 290.323 1.252 0 50 CDAA CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)CC12CCOCC2 601014808 QIOQGIFBZKOSEZ-CQSZACIVSA-N 285.340 1.783 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)CC(C2CC2)C2CC2)CCO1 299752737 VFVWKHWHPVFZLI-LBPRGKRZSA-N 281.352 1.515 0 50 CDAA CN(C)Cc1ccc(CNC(=O)c2cncnc2)cc1 354914767 CAXAVDDBANANCD-UHFFFAOYSA-N 270.336 1.468 0 50 CDAA O=C(C[C@H]1CCOC1)N1CCN(Cc2cccs2)CC1 352017467 HDSUTDUVCPJJGX-CYBMUJFWSA-N 294.420 1.819 0 50 CDAA CCc1ocnc1C(=O)N[C@H](c1ncnn1C)C(C)C 534659049 IBVFDZITTSTYFA-JTQLQIEISA-N 277.328 1.493 0 50 CDAA CC(C)C[C@@H]1CCN(Cc2cnc(NCC(=O)O)nc2)C1 534650479 BZSOJJSNNQEXGO-LBPRGKRZSA-N 292.383 1.841 0 50 CDAA CCC[C@@H](NC(=O)Cc1c(O)n[nH]c1C)c1nccn1C 534634258 UOVBTSHXRYZLGW-LLVKDONJSA-N 291.355 1.357 0 50 CDAA COC(C)(C)CCNc1cncc(C(=O)N(C)C)n1 824250314 WFKSGSKGKOFFGZ-UHFFFAOYSA-N 266.345 1.405 0 50 CDAA CCCN1CCC(CCNC(=O)c2c[nH]c(=N)s2)CC1 584897800 ABZFXLABOHZFAU-UHFFFAOYSA-N 296.440 1.798 0 50 CDAA Cc1ccn(CCC(=O)N[C@@H](C)c2c(C)n[nH]c2C)n1 584884143 QAGQRVYOYARQBK-JTQLQIEISA-N 275.356 1.799 0 50 CDAA CN(CCC1(O)CCCC1)C(=O)CN1CCCC1 584886430 LWGCVRRQPHPFPD-UHFFFAOYSA-N 254.374 1.236 0 50 CDAA Cc1cc(C)n([C@@H](C)C(=O)N2CCc3nocc3C2)n1 670453430 NTOGEFYCQXADPK-NSHDSACASA-N 274.324 1.634 0 50 CDAA CN(c1nnnn1C[C@@H]1CCC(F)(F)C1)C1CC1 685945044 QIAKKXMCUNWADM-MRVPVSSYSA-N 257.288 1.707 0 50 CDAA CC(C)c1nccc(NCc2cn(C)c(=O)nc2O)n1 1363158590 VGDVPXKIQYPYBA-UHFFFAOYSA-N 275.312 1.011 0 50 CDAA COc1ccc(NC(=O)[C@H]2CCCN2)cc1C(=O)N(C)C 952991777 SKFALIGRRKDGEV-GFCCVEGCSA-N 291.351 1.088 0 50 CDAA N[C@@H](c1ccsc1C(F)(F)F)C1(O)CNC1 958527764 HNJKGIAOXABLAN-LURJTMIESA-N 252.261 1.101 0 50 CDAA O[C@H]1CCCN(CCCNCc2ccc(Cl)o2)C1 952992107 WZDKZDZCBZIOIT-NSHDSACASA-N 272.776 1.869 0 50 CDAA Cn1cc(CN2C[C@@H]3CCCN[C@@H]3C2)c(-c2ccncc2)n1 271181697 LHVSWCWMYNKCHI-GOEBONIOSA-N 297.406 1.666 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)CN2C[C@H]3CCC[C@@H]32)C1 170036597 HHERRFZGXGBAHR-RQJABVFESA-N 250.386 1.975 0 50 CDAA COc1cccc(OCCNC(=O)[C@@]2(C)CCCCN2)c1 170072732 LNVXQLWCBQTLTI-MRXNPFEDSA-N 292.379 1.722 0 50 CDAA O=c1nc(N2CCC[C@@H]2Cc2ccccc2)[nH]c2[nH]ncc12 170598808 CDQNAQNHPFGALI-GFCCVEGCSA-N 295.346 1.858 0 50 CDAA O=C(CCn1cccc1)N1CCC(c2nnc(O)o2)CC1 644886871 QHJJKNZQLAALJU-UHFFFAOYSA-N 290.323 1.373 0 50 CDAA CCO[C@H]1C[C@H](NC(=O)NCc2cnc(C)o2)C1 661308711 IONQGQLSMHXPPT-MGCOHNPYSA-N 253.302 1.350 0 50 CDAA Cc1cc(N2CCC(N3CCOC[C@@H]3C)CC2)nc(C)n1 583650859 CQXQDKCJKFQZJC-ZDUSSCGKSA-N 290.411 1.783 0 50 CDAA CSC[C@H](C)C(=O)N[C@@H]1C[C@H](N(C)C)C12CCC2 585130859 DPPKEWIMOJCZRC-TUAOUCFPSA-N 270.442 1.975 0 50 CDAA CC(C)[C@H](CCO)NC(=O)[C@]1(c2ccccc2)C[C@H](O)C1 585129306 FFGRVIMUNZRDRA-YQQAZPJKSA-N 291.391 1.602 0 50 CDAA O=C([C@@H](O)C1CCCCC1)N1CCc2c[nH]nc2C1 682163240 DEXMRBLBPPYIGA-ZDUSSCGKSA-N 263.341 1.236 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)[C@@H](C)N1C(=O)[C@@H]1CCCO1 1614994307 DYNLWTFNXCNGCO-ZNSHCXBVSA-N 255.314 1.266 0 50 CDAA O=C(O)c1nccnc1NC[C@@H]1CCCN2CCCC[C@H]12 1506399740 DDBGANMYIYCRBT-NWDGAFQWSA-N 290.367 1.851 0 50 CDAA CCc1ccc(/C=C2\C(=O)NC(=O)N2C(C)=O)cc1 84190 IMDSRGDXQFPTIH-XYOKQWHBSA-N 258.277 1.688 0 50 CDAA Cc1c(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cnn1C 1529104275 NEIMZBFMQNHUBA-LLVKDONJSA-N 293.371 1.061 0 50 CDAA C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(C(=O)O)nc1 237462519 LEIQYTTZNPVWRD-RKDXNWHRSA-N 264.281 1.029 0 50 CDAA CC(=Cc1ccccc1)CN1CCO[C@H](C(N)=O)C1 1857529503 DSISZLPYVATPBF-AWEZNQCLSA-N 260.337 1.276 0 50 CDAA C[C@H]1C[C@@H](NS(=O)(=O)CCCC(F)(F)F)CCN1 235597011 IESAWXYZUNNYSU-IUCAKERBSA-N 288.335 1.389 0 50 CDAA O=C(NCCC1(O)CCC1)N1CCC(O)(C(F)F)CC1 331890617 PMRLCYUIGRDNIE-UHFFFAOYSA-N 292.326 1.093 0 50 CDAA Cn1ncc2c1CN(C(=O)c1ncc(C(C)(C)C)o1)C2 1875282871 WJSTVLDYJNSRRN-UHFFFAOYSA-N 274.324 1.862 0 50 CDAA Cc1n[nH]c(C)c1[C@@H]1COCCN1CCOCC(F)F 375497160 QYIINLXCCGDSRA-NSHDSACASA-N 289.326 1.682 0 50 CDAA CC(=O)N1CC[C@@](C)(C(=O)N(C)Cc2ccoc2C)C1 363114339 QSFLUVIPRSRBTH-OAHLLOKOSA-N 278.352 1.805 0 50 CDAA Cc1nnc2n1C[C@@H](CNC(=O)c1cccc(F)c1O)C2 1772816163 GBZXWUHAWIZYIB-SECBINFHSA-N 290.298 1.034 0 50 CDAA O=C1CN(CC[C@@H]2COCCO2)CCN1c1ccccc1 1775981848 XDJFOOBCNSACCE-OAHLLOKOSA-N 290.363 1.141 0 50 CDAA CC(C)NC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 11879738 PZLMEMMAJILFCE-INIZCTEOSA-N 294.370 1.677 0 50 CDAA COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 13590428 SONKSHWXWHWISY-PHIMTYICSA-N 285.365 1.493 0 50 CDAA Cc1ncc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)n1C 1857694132 BSLVUEGYQVCVFA-ZDUSSCGKSA-N 293.367 1.042 0 50 CDAA Cc1ccc2nc(CN3CCOC[C@H](C(=O)O)C3)cn2c1 1857694186 DHWSLXFAYREVBF-GFCCVEGCSA-N 289.335 1.176 0 50 CDAA C[C@@H](C(=O)O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 237507409 AXGVJWATJYZQJR-JTQLQIEISA-N 296.754 1.457 0 50 CDAA CN(Cc1ccco1)C(=O)[C@@H]1CCO[C@H]1c1ccnn1C 328630259 PROVOACFNWACMO-TZMCWYRMSA-N 289.335 1.749 0 50 CDAA CCO[C@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 330530035 ZKJHMBHYFGCUCX-ZJUUUORDSA-N 297.380 1.498 0 50 CDAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1cccc(C(=O)O)c1 236771451 KBQNHONXSKNBHB-UPJWGTAASA-N 289.331 1.928 0 50 CDAA Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)N(C)C 585138078 MQRMNTVTWILQGR-UHFFFAOYSA-N 261.274 1.083 0 50 CDAA Cc1cc(C)cc(C2(C(=O)N3CCn4cnnc4C3)CC2)c1 264280466 HCQLZNVYQXUSDL-UHFFFAOYSA-N 296.374 1.969 0 50 CDAA C[C@@H](CNCCC(=O)O)COCc1ccccc1 390137167 MOQGQOXSNNWNOE-LBPRGKRZSA-N 251.326 1.904 0 50 CDAA Cc1nonc1CN1CCC[C@H]1c1ccc(N(C)C)nn1 818154419 SIUPXOLDKWTRNT-ZDUSSCGKSA-N 288.355 1.571 0 50 CDAA OC[C@@H]1CN(Cc2c(F)cc(F)cc2F)CC[C@@H]1O 1140529454 COJHFEXCIFYRGP-SDBXPKJASA-N 275.270 1.279 0 50 CDAA CN(C)c1nc(CNC(=O)c2c(O)cccc2F)cs1 127831192 CRSXPSJPYQGLFC-UHFFFAOYSA-N 295.339 1.984 0 50 CDAA O=C(O)C1CC(NS(=O)(=O)c2sccc2Cl)C1 871638037 UBVDNHPFRJDNEY-UHFFFAOYSA-N 295.769 1.543 0 50 CDAA Cc1cc(-n2c(C)cn(CC3(C)COC3)c2=O)no1 952884033 RVAPAAMWHOFUDE-UHFFFAOYSA-N 263.297 1.280 0 50 CDAA Cc1csc(C(=O)N2CCC[C@@H]2c2nc[nH]n2)n1 1875282580 KIYIDONSZFPXGC-MRVPVSSYSA-N 263.326 1.547 0 50 CDAA c1cc(CN=c2[nH]nc3n2CCCC3)c2nsnc2c1 1875284271 UNMLGXAIGFVSJW-UHFFFAOYSA-N 286.364 1.653 0 50 CDAA CC(C)(NC(=O)c1cncc(C(=O)O)c1)[C@H]1CCCCO1 1875281324 GYZZDINFKBIQKL-GFCCVEGCSA-N 292.335 1.857 0 50 CDAA CNC(=O)[C@H](NC(=O)c1cnccc1C)c1ccccc1 1875254262 YSCXOFNRNDJUFP-CQSZACIVSA-N 283.331 1.607 0 50 CDAA COc1ccc([C@@H](C)CC(=O)N[C@H](CO)CC(=O)O)cc1 1875313379 LXEPFZURERYLLI-JQWIXIFHSA-N 295.335 1.141 0 50 CDAA COc1cc([C@H](C)NC(=O)/C=C/CN(C)C)sn1 1875376700 GBMQCPVKLTWVFK-CYNONHLPSA-N 269.370 1.447 0 50 CDAA Cc1ccoc1CC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 886991303 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415074055 BTZAFYNJKOKNKB-HNNXBMFYSA-N 259.397 1.855 0 50 CDAA NC(=O)CC[C@H]1CCCN(Cc2nnc3n2CCCC3)C1 368922242 GFYLZZMSAFJMNF-GFCCVEGCSA-N 291.399 1.092 0 50 CDAA C[C@H](c1nnnn1C)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 329793507 VOYXMAGMIQPNJZ-MXWKQRLJSA-N 265.361 1.161 0 50 CDAA C=CC(=O)NCCC(=O)NCc1ccc2c(c1)COC2 490647474 XKGAXDKYJJQIRP-UHFFFAOYSA-N 274.320 1.025 0 50 CDAA O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cncc(F)c1 330316180 PWJQAFRCZRDJOE-CHWSQXEVSA-N 292.310 1.431 0 50 CDAA CC[C@@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 129854124 KQOHZPRZBBBVNI-DGCLKSJQSA-N 293.342 1.127 0 50 CDAA Cc1ncoc1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)O 235641914 JYMGYWYHDOYOTA-IONNQARKSA-N 252.270 1.308 0 50 CDAA CC1=NO[C@](C)(C(=O)NCc2cnc3c(C)cccn23)C1 71613729 MICLLQGDNCDGMF-HNNXBMFYSA-N 286.335 1.814 0 50 CDAA Cc1ncoc1C(=O)N[C@H]1CN(C)C[C@H]1c1ccccc1 332767695 HJNKVVNVHHPABZ-KBPBESRZSA-N 285.347 1.811 0 50 CDAA COCC1(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)CCOCC1 332867600 CUCIVPWADZAKIK-MGPQQGTHSA-N 297.395 1.503 0 50 CDAA CN(C)c1ncc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=N)O)n1C 333462218 LVCKGBHZPWTALW-DRZSPHRISA-N 291.399 1.622 0 50 CDAA OC[C@]1(O)CCCN(Cc2c[nH]nc2-c2ccccc2)C1 72430624 WAQNQLRSSHSXSV-INIZCTEOSA-N 287.363 1.396 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 237412638 FLAVWGBEFKOFTB-AVGNSLFASA-N 253.390 1.057 0 50 CDAA C[C@@H]1CN(c2nccc(Oc3ccccc3)n2)C[C@H]1C(N)=O 284600244 KWMRGZPDARIHSS-DGCLKSJQSA-N 298.346 1.827 0 50 CDAA Cn1ncc(NC(=O)Cn2cnc(-c3ccccc3)c2)n1 48356885 WPTNFQJYVDWDIX-UHFFFAOYSA-N 282.307 1.317 0 50 CDAA CCc1oc(C(=O)N2CC[C@@](O)(C(F)F)C2)cc1C 334542597 JDQWGXCWLSOMJK-ZDUSSCGKSA-N 273.279 1.993 0 50 CDAA CCc1c(C(=O)NC[C@H]2CCC[C@@H]2O)ccn1C 290460915 UCJHLWUPDYZSCZ-MFKMUULPSA-N 250.342 1.478 0 50 CDAA Cc1cc(CC(=O)N(C)C[C@H]2Cc3ccccc3O2)on1 222917459 VAYFOTPLWYQLHK-CQSZACIVSA-N 286.331 1.988 0 50 CDAA COc1ccnc(CN(C)C(=O)C[C@H]2CCOC2)c1 426504433 FPDSYFIWVSHBJG-LLVKDONJSA-N 264.325 1.475 0 50 CDAA O=C1COc2cc(NCCn3cccn3)c(Cl)cc2N1 176791489 LDLIDVQZPBUSBG-UHFFFAOYSA-N 292.726 1.980 0 50 CDAA CSCC(=O)N1CCN(CCc2ccccc2)C(=O)C1 220597482 PPNFUQDPTKQNAE-UHFFFAOYSA-N 292.404 1.263 0 50 CDAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N(C1CC1)[C@H](C)C(=O)O 263548501 IXEHJHQTMCZRDP-SJQPAMGKSA-N 255.314 1.264 0 50 CDAA Nc1nc(NCc2ccccn2)cc(C2CC(O)C2)n1 222275873 CSYYGBLJZIVESF-UHFFFAOYSA-N 271.324 1.304 0 50 CDAA Cc1cnn(CCCNC(=O)C(C)(C)N2CCCC2)c1 426395935 JWEKGSNCYBHDHQ-UHFFFAOYSA-N 278.400 1.572 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)N[C@H](C(=O)O)C(C)C)C2)n1 426612725 XLIZRXSJQOTOCH-LBPRGKRZSA-N 294.355 1.175 0 50 CDAA Cn1ccnc1C(=O)[C@H]1CCCN(c2ncccn2)C1 91391217 YJZUACMCUSHAGL-NSHDSACASA-N 271.324 1.309 0 50 CDAA COc1cc(CNC(=O)C[C@H]2CCOC2)cc(OC)c1 426368227 GXBKVVFIRXPWQS-LLVKDONJSA-N 279.336 1.747 0 50 CDAA Cc1c[nH]c(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)n1 91444733 UDWPOJFPUYGBNV-OAHLLOKOSA-N 277.368 1.733 0 50 CDAA CCC[C@H]1N=C(N)N=C(N)N1c1cccc(Cl)c1 96026641 JZSCQRCFXATNGX-JTQLQIEISA-N 265.748 1.916 0 50 CDAA COC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc(C)c4)C(=O)[C@H]13)O2 239175831 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COc1cc(=O)n(-c2cccc(F)c2)nc1C(=O)O 96511660 CCXMXROKAZKXAP-UHFFFAOYSA-N 264.212 1.078 0 50 CDAA CN(C)[C@@H]1CCCN(Cc2cccc(OCCO)c2)CC1 97528088 MGILBBJMGUNBDP-MRXNPFEDSA-N 292.423 1.974 0 50 CDAA Cc1nc(COc2ccc(F)cc2F)n(CCO)n1 96137726 NHXSHFRXTDUZMQ-UHFFFAOYSA-N 269.251 1.436 0 50 CDAA C[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1c1ccccc1)[C@H]42)[C@H]3O 244816927 SRGKPAIYFCEGQE-CWZITNFPSA-N 271.316 1.391 0 50 CDAA O=c1[nH]ccn1CCN1CCO[C@H](c2ccc(F)cc2)C1 244724335 MRZDTURBDUNGHF-AWEZNQCLSA-N 291.326 1.389 0 50 CDAA Cc1c[nH]c(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)n1 244652059 GZAGTMWZPMKTNY-NQBHXWOUSA-N 286.335 1.355 0 50 CDAA CC(C)n1cnnc1CN(C)Cc1nnc(C2CC2)o1 244716089 LIFUUKPSWJYEEO-UHFFFAOYSA-N 276.344 1.751 0 50 CDAA C[C@@H](C(=O)O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 299751316 QHPYJQQTCGOMBW-QWHCGFSZSA-N 290.363 1.602 0 50 CDAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)[C@@H]1CCNC1 299739577 QHYBCUIODLFKTP-CLWVCHIJSA-N 288.391 1.973 0 50 CDAA CC(C)c1nc(CN2Cc3[nH]cnc3C[C@H]2C(=O)O)co1 534658161 VVVBLNGCXSSIPY-LBPRGKRZSA-N 290.323 1.533 0 50 CDAA Cc1cccc2oc(CN[C@H](C)CN3CCOCC3)nc12 534676873 WPXZFFMLIWWTAK-CYBMUJFWSA-N 289.379 1.947 0 50 CDAA CCCCS(=O)(=O)NCc1nc(O)c2ccccc2n1 632527594 YTCKNALOJDNZJP-UHFFFAOYSA-N 295.364 1.555 0 50 CDAA C[C@H]1CN(Cc2ccc3c(c2)CNCCO3)C[C@@H](C)O1 299786804 NTUGLOLAZPTIRR-BETUJISGSA-N 276.380 1.778 0 50 CDAA CC(C)C1=NO[C@@H](C(=O)NCCCc2csc(N)n2)C1 820723142 DYZPWIJBOOEKMD-LLVKDONJSA-N 296.396 1.575 0 50 CDAA N=c1[nH]c(CCCn2cnc3cccnc3c2=O)cs1 584896791 ZXIXINXBFOEHFA-UHFFFAOYSA-N 287.348 1.293 0 50 CDAA COCC1(CNC(=O)[C@@H](C)CN2CCCC2)CCC1 824346706 BXCHJVUDAYYNCV-ZDUSSCGKSA-N 268.401 1.651 0 50 CDAA CC[C@H](C(=O)N(C)CC1(CO)CCCC1)N1CCCC1 584897503 AQIRMBUVDKXLNG-CQSZACIVSA-N 282.428 1.872 0 50 CDAA Cc1ccoc1C(=O)N1CC[C@H](N2CCN(C)CC2)C1 670456429 BXVMEMJZOWVODB-ZDUSSCGKSA-N 277.368 1.050 0 50 CDAA Cc1ccc(CNC(=O)Cn2ncc3cccnc32)n1C 1338504569 DRCHQUBQTNCCTD-UHFFFAOYSA-N 283.335 1.395 0 50 CDAA Cc1nnsc1C(=O)N[C@@H](C)c1csnn1 1336523752 WRRYSRRJFRHZOP-BYPYZUCNSA-N 255.328 1.189 0 50 CDAA CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)C[C@H]1O 1099686823 LBPJTDGPIAGIOF-UONOGXRCSA-N 296.436 1.990 0 50 CDAA CCC(=O)N1CCC(C(=O)N2CCC[C@@H]2C)CC1 952972720 LIQPOODOZHOQSN-NSHDSACASA-N 252.358 1.646 0 50 CDAA CCn1ccc(C(=O)NC[C@@H]2Cc3ccccc3CN2)n1 1550192402 KXHUVKNEAKIISW-AWEZNQCLSA-N 284.363 1.347 0 50 CDAA CC[C@@H](C(=O)NC1(COC)CCCC1)N(C)CC 952985132 CGDSLDGATOGCQD-LBPRGKRZSA-N 256.390 1.792 0 50 CDAA O=C(NC[C@H]1CCNC[C@@H]1O)C1CCCCCC1 1565512976 ZWUFOMZXANUAQX-OLZOCXBDSA-N 254.374 1.043 0 50 CDAA Cc1cc(N2CCC[C@](O)(C(=O)N3CCCC3)C2)ccn1 408034907 IBPYATXVKYQLGZ-MRXNPFEDSA-N 289.379 1.344 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CO[C@H](C)C2)cc1C 408485371 HEPSLFRKCMMWBT-VXGBXAGGSA-N 297.376 1.533 0 50 CDAA C[C@@H]1CN(c2cc(Cl)c(O)nn2)C[C@@H](C2CC2)O1 408523398 JURGPVGCZUDBEM-XCBNKYQSSA-N 269.732 1.839 0 50 CDAA O=C(Cc1cncc(O)c1)N1CCOC2(CCCCC2)C1 408517485 JGOIDMYUBCWADG-UHFFFAOYSA-N 290.363 1.891 0 50 CDAA O=C1N[C@H](c2ccccc2F)C(=O)N1CC(F)(F)F 170091253 CXDDCADLJDOGSI-MRVPVSSYSA-N 276.189 1.981 0 50 CDAA C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)NCC(=O)O 170072720 LIJWLRCEAKRXRH-CMPLNLGQSA-N 294.326 1.204 0 50 CDAA CCc1cnccc1CNC(=O)N1CC[C@H](n2cccn2)C1 516362901 QMKHFTSAKWIMEC-HNNXBMFYSA-N 299.378 1.997 0 50 CDAA Cn1nc(NC(=O)c2cc(F)c(F)c(F)c2)sc1=O 170617606 UYZYXCMRPBUZMK-UHFFFAOYSA-N 289.238 1.511 0 50 CDAA Sc1nc2ccc(Br)cc2c2nnnn12 170620186 PSKDVMOZOJOKDT-UHFFFAOYSA-N 282.126 1.724 0 50 CDAA OC[C@@H]1CCCN(c2nnc(-c3ccccn3)s2)C1 272499210 LFENSIOABRHAAL-SNVBAGLBSA-N 276.365 1.809 0 50 CDAA CN1CCN(CCNC(=O)c2nccc3ccccc23)CC1 171099459 WZORRULOTNGJOA-UHFFFAOYSA-N 298.390 1.212 0 50 CDAA CN(Cc1ccco1)C(=O)c1cn(C)nc1[C@@H]1CCOC1 275210489 AKQLENZPZDYPBC-LLVKDONJSA-N 289.335 1.789 0 50 CDAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1cc[nH]n1 275554087 GQBZYRKPHXVULJ-WCQYABFASA-N 272.308 1.455 0 50 CDAA CCCCc1noc(Cn2cnc(C)c(C)c2=O)n1 188279246 QASUHMCSVXKREP-UHFFFAOYSA-N 262.313 1.634 0 50 CDAA CCOC[C@H]1CCN(C(=O)Nc2cnns2)C1 190787950 GBNNHVCDKFONOP-QMMMGPOBSA-N 256.331 1.428 0 50 CDAA Cc1noc(COC2CN(C(=O)[C@H]3Cc4ccccc43)C2)n1 644206906 MYTWAQKSPGDUQQ-AWEZNQCLSA-N 299.330 1.445 0 50 CDAA Cc1cnccc1CNC(=O)c1ccn(CC(F)F)n1 194550994 MUYWQWWHKRIIQO-UHFFFAOYSA-N 280.278 1.782 0 50 CDAA O=C(NCC1C2CC3CC(C2)CC1C3)C1(O)CCOCC1 195567762 BVTOIUISCRGPOH-UHFFFAOYSA-N 293.407 1.716 0 50 CDAA COC[C@@H]1CCCN(Cc2nc(C3CC3)nn2C)C1 584347894 NFSYDTGRRALXQC-LLVKDONJSA-N 264.373 1.551 0 50 CDAA Cn1cccc1C(=O)N1CCN(CCCF)CC1 584907965 RNRLXCQTGDXNIT-UHFFFAOYSA-N 253.321 1.143 0 50 CDAA COC1(C)CN(c2ccc3nnc(Br)n3n2)C1 585092870 RKBCNSYATJKHBI-UHFFFAOYSA-N 298.144 1.112 0 50 CDAA CC(C)=CC(=O)N[C@@H](C)[C@H](C)NC(=O)C=C(C)C 585079467 STQADOQVUBYDLE-RYUDHWBXSA-N 252.358 1.928 0 50 CDAA Cn1cccc1C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C 585130189 KDGDHWJVXRKPQB-ZIAGYGMSSA-N 291.395 1.254 0 50 CDAA CS[C@H](C)C(=O)NS(=O)(=O)Cc1ccccc1C 798899803 IRUSKBGLKGHAET-SNVBAGLBSA-N 287.406 1.693 0 50 CDAA C[C@@H](c1ccccn1)N(C)C(=O)c1cccc(N)n1 1506420279 AOBDTUNVZVEBJV-JTQLQIEISA-N 256.309 1.892 0 50 CDAA CC1(C)CCOC(=O)[C@H]1NC(=O)c1ccccc1O 1615605841 NSDSEEGCVGAKMT-LLVKDONJSA-N 263.293 1.464 0 50 CDAA CNCc1nnc(N(C)CCN2CCCCCC2)o1 1772712168 OOZKSWSFLDXWGG-UHFFFAOYSA-N 267.377 1.101 0 50 CDAA CCN(C[C@H]1CCCCO1)c1nc(OC)cc(OC)n1 1506417232 LRYHRBZFIVIDDP-LLVKDONJSA-N 281.356 1.889 0 50 CDAA CCOCCN(C)[C@H]1CCC(=O)N(CC2CC2)CC1 1506430176 XNWQJSJXIPMWIL-AWEZNQCLSA-N 268.401 1.746 0 50 CDAA CCN(C[C@@H]1CCCCO1)c1ncc(OC)cn1 1529152860 ZZXPKJLOSNZLLF-NSHDSACASA-N 251.330 1.881 0 50 CDAA Nc1nc(N)nc(-c2cccc(C(F)(F)F)c2)n1 2562224 YMIFDDZCSSDQHL-UHFFFAOYSA-N 255.203 1.722 0 50 CDAA in-vitro CC(C)C1(S(=O)(=O)NCc2ccc(C(=O)O)cc2)CC1 629292697 UNSNYRVXIQHPOF-UHFFFAOYSA-N 297.376 1.993 0 50 CDAA Cc1nnc(NC(=O)c2c(F)ccc(F)c2F)n1C 122155377 KMOULWPZWFFVOL-UHFFFAOYSA-N 270.214 1.793 0 50 CDAA CNC(=O)c1ccc(CNc2nccnc2N(C)C)o1 1704297582 AMRPFOMDWLFUNT-UHFFFAOYSA-N 275.312 1.107 0 50 CDAA O=S(=O)(N[C@H]1CN2CC[C@H]1C2)c1ccccc1CF 1875321539 MHNUDPADBUEHBX-RYUDHWBXSA-N 284.356 1.139 0 50 CDAA CN(C)C/C=C/C(=O)NCc1ccc(C(F)(F)F)nc1 1875375841 OJHBJFRIZAZKAP-ONEGZZNKSA-N 287.285 1.834 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCCc2sccc2C)CC[C@@H]1O 1704315596 LQHHVTTZNUUVPL-FRRDWIJNSA-N 297.420 1.891 0 50 CDAA CN(CCO)[C@H](C(=O)O)c1cccc(Br)c1 833693681 LRGFVXGDWUCIRU-JTQLQIEISA-N 288.141 1.499 0 50 CDAA CN(C)C(=O)c1cnc(N(C)CCC(=O)O)c(Cl)c1 262964772 AJCHFISHGHWUNI-UHFFFAOYSA-N 285.731 1.348 0 50 CDAA COc1ccc(OC)c(CN2CCC[C@H](CO)C2)c1 4948779 SKJLZHXVXSIVQB-LBPRGKRZSA-N 265.353 1.908 0 50 CDAA COCC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](C(C)C)O2 1857701975 URUDZCUZSOHVNQ-CHWSQXEVSA-N 285.384 1.190 0 50 CDAA Cc1ccc(C(=O)N2CCO[C@H]([C@H](C)N)C2)c(F)c1 122866710 WHDSFAOILQHEJM-GWCFXTLKSA-N 266.316 1.322 0 50 CDAA OCC1(CO)[C@@H]2CN(Cc3cc4ccccc4s3)C[C@H]21 1772814434 YWYKBDIZDWIHDC-ZIAGYGMSSA-N 289.400 1.934 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](C3(O)CC3)C2)cc(O)n1 1772809275 RJJLMCUMPQDRNL-GFCCVEGCSA-N 276.336 1.473 0 50 CDAA CCn1ncc(CN(C)C[C@H]2CCC(=O)N(C)C2)c1C 1775981511 LRXMYXSNBFFBFJ-CYBMUJFWSA-N 278.400 1.512 0 50 CDAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1cccc(F)c1F)C2 1772705622 UUXNPZBYLOWJAZ-ABAIWWIYSA-N 297.301 1.888 0 50 CDAA Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCN2CCC[C@@H]12 1772812285 KJYNGBPVYBSRBT-RYUDHWBXSA-N 299.396 1.197 0 50 CDAA COCCNCC[C@@H]1CCC(=O)N1CCc1cccs1 12037870 AICMEHLJNZZTJL-ZDUSSCGKSA-N 296.436 1.908 0 50 CDAA Cc1cccc(CSCCNS(C)(=O)=O)c1 5795966 LPHNIKRDPHZLBO-UHFFFAOYSA-N 259.396 1.777 0 50 CDAA COCCc1nc2ccc(C(=O)N[C@H]3CCOC3)cc2o1 11812886 BUJGCSNDEFNAHD-NSHDSACASA-N 290.319 1.535 0 50 CDAA CC(=O)NCCOc1ccc(Br)cc1 12364270 PUKXEBVTXADABW-UHFFFAOYSA-N 258.115 1.964 0 50 CDAA CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCCC1 12381956 MVBQFUARWMDPAJ-LBPRGKRZSA-N 264.325 1.656 0 50 CDAA O=C(/C=C/c1ccco1)OCCN1CCOCC1 13425433 VZCQQUSMQBSRFV-ONEGZZNKSA-N 251.282 1.168 0 50 CDAA C[C@@H](Cn1cncn1)NC(=O)COc1ccc(F)cc1 19114107 ANZQFXWEZIPELE-JTQLQIEISA-N 278.287 1.001 0 50 CDAA O=C([C@@H]1CCCO1)N1CCc2[nH]nc(C3CC3)c2CC1 1857672672 WOOQRFSTPQSXFV-ZDUSSCGKSA-N 275.352 1.393 0 50 CDAA O=C(NCc1cc(-c2ccccc2)n[nH]1)[C@H]1C=CCN1 1857685119 OZPJIQNOWMKKSE-CYBMUJFWSA-N 268.320 1.221 0 50 CDAA CN1CC[C@@H](CC(=O)NCc2cccn3nccc23)C1 1857688733 YPBVMMRSSKTRQR-LBPRGKRZSA-N 272.352 1.292 0 50 CDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1C=CCN1 1857704642 AHNNJKYVVVVTSU-LLVKDONJSA-N 274.299 1.188 0 50 CDAA Cc1ccc(C(N)=O)c(-c2cnc3c(c2)CCN3C)n1 1875250204 FUFRVYKNVTWSMB-UHFFFAOYSA-N 268.320 1.543 0 50 CDAA O=C(C1CC1)N1CCCN(Cc2cccc(O)c2)CC1 119105942 NEDWLNQTEGIKTP-UHFFFAOYSA-N 274.364 1.837 0 50 CDAA COc1cc(C)ccc1OCCC(=O)N1CC[C@@H](N)C1 237108436 QQVAPSDAIZFNHW-GFCCVEGCSA-N 278.352 1.332 0 50 CDAA CC(C)n1nccc1C(=O)NC1(CC(=O)O)CCOCC1 663122982 FXCBFJBUZCJKBK-UHFFFAOYSA-N 295.339 1.218 0 50 CDAA O=C(O)c1cccc(CNC(=O)c2ccnnc2)c1 135790105 IYUXCTWJRMDYJC-UHFFFAOYSA-N 257.249 1.105 0 50 CDAA CCN1CN(C(=O)NC[C@H](C)c2nc(C)cs2)CC1=O 252501879 UKCKGZTZZGGKGO-VIFPVBQESA-N 296.396 1.386 0 50 CDAA Cc1ccccc1-c1ccccc1C(=O)N1CC(O)(CO)C1 820857324 ZXHMONBAURKGFW-UHFFFAOYSA-N 297.354 1.841 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CC(Oc2nccs2)C1 863948004 QBUZWFKOWWYNFL-UHFFFAOYSA-N 292.364 1.315 0 50 CDAA O=S(=O)(CC1CC2(CCC2)C1)N1CCC[C@@H](O)CC1 872491737 QUXCDTXFCQPEKP-CYBMUJFWSA-N 287.425 1.743 0 50 CDAA C=Cc1ccc(S(=O)(=O)N[C@H](CC)C(=O)NC)cc1 1875265654 KMJBQTQYSAGRFS-GFCCVEGCSA-N 282.365 1.133 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H]1CCc2ncc(Cl)n2C1 1875376903 MNAUFNDLJYICEN-HMDXOVGESA-N 282.775 1.085 0 50 CDAA C=CC(=O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 1875368070 OIUJDPXRERRTBN-IUODEOHRSA-N 259.305 1.972 0 50 CDAA COCC1(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)COC1 1875336739 GDCWQUVHFHGJDC-UHFFFAOYSA-N 288.303 1.130 0 50 CDAA O=C1C[C@@H]2Cc3ccc(Br)cc3C2=NN1 1875309856 QWPRGOKTUNEEMQ-ZETCQYMHSA-N 265.110 1.845 0 50 CDAA C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1ccccn1 877949171 WKUOFYGITYWUMD-QMTHXVAHSA-N 270.336 1.787 0 50 CDAA CCc1onc(C)c1-c1nnc([C@]2(OC)CCOC2)o1 886086090 QGLIWRUWCIDAIY-ZDUSSCGKSA-N 279.296 1.857 0 50 CDAA c1cn(C2CC2)c(CN2CCC[C@@H](n3cncn3)C2)n1 891943880 HXVJGSVAFWAQMG-CYBMUJFWSA-N 272.356 1.647 0 50 CDAA COCC1(O)CCN(Cc2ccnc(OC)c2F)CC1 892068341 LDQQSXHRZSXRMX-UHFFFAOYSA-N 284.331 1.203 0 50 CDAA CC(C)Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2C)cn1 896052408 WKZHYPKMNXLJQT-SWLSCSKDSA-N 296.436 1.803 0 50 CDAA COC(=O)c1c(C(=O)N2CCC[C@H](C)C2)n[nH]c1C 1775985556 QVSWYHZXOYDPJT-QMMMGPOBSA-N 265.313 1.377 0 50 CDAA C=CC(=O)N1CCCn2cccc2C12CCOCC2 1776004491 LDYAYHJLIKIPFV-UHFFFAOYSA-N 260.337 1.912 0 50 CDAA O=C(NC[C@H](C(=O)O)C1CCCCC1)[C@H]1CCCOC1 630266330 WHAVDHXNTAJERK-STQMWFEESA-N 283.368 1.810 0 50 CDAA O=C(COC1CCCCC1)N1CC(F)(F)C[C@@H]1CO 366683632 VUWVMWUXCBOVCH-SNVBAGLBSA-N 277.311 1.564 0 50 CDAA CC(C)N(CCN(C)C)C(=O)N[C@@H](C)CCC(=O)O 688242016 KIWCAWNDALHNGJ-NSHDSACASA-N 273.377 1.221 0 50 CDAA CN(C)CC1(O)CCN(CC[C@@H]2CC2(F)F)CC1 710580174 KHGFMBFVODFVDO-LLVKDONJSA-N 262.344 1.420 0 50 CDAA Cc1ncsc1CN1CCN2C(=O)OC[C@@H]2C1 494450118 DGTQUUKAHCKUAG-VIFPVBQESA-N 253.327 1.088 0 50 CDAA COc1cc(CC(=O)N2CCN[C@H]3C[C@H]32)ccc1C 952992430 DNNKSPCAUSNDBR-QWHCGFSZSA-N 260.337 1.119 0 50 CDAA Cn1cnc2nc(N3CCN[C@H](c4ccccc4)C3)ncc21 2100477220 RHNYMZHLOFLETB-ZDUSSCGKSA-N 294.362 1.514 0 50 CDAA O=C(c1n[nH]c2c1COCC2)N1CCc2ccccc2CC1 2100534655 RUPJOPVVBXPOEG-UHFFFAOYSA-N 297.358 1.723 0 50 CDAA C[C@H](NCc1cccc2cccnc12)C1(O)CCNCC1 2325801412 GUQPNFGSJZWYTJ-ZDUSSCGKSA-N 285.391 1.827 0 50 CDAA O=C(NCc1ccoc1)c1cccc(Cc2nn[nH]n2)c1 2325821280 BACPWDUXVWLHDH-UHFFFAOYSA-N 283.291 1.314 0 50 CDAA O=C(COc1ccsn1)Nc1cccn2nccc12 2325824907 VCCUVSIGMCLLKW-UHFFFAOYSA-N 274.305 1.808 0 50 CDAA Cc1cc(=NC(=O)c2cccc3c2NC(=O)CC3)[nH][nH]1 2325865121 NVKGYENPHWJRPR-UHFFFAOYSA-N 270.292 1.277 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)O)c2)C[C@H](C)O1 60883 SHIDBEVAWHWDFA-UWVGGRQHSA-N 299.348 1.183 0 50 CDAA COc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 68374 CCMRXFMKAIPKGT-UHFFFAOYSA-N 268.294 1.792 0 50 CDAA OC[C@@H]1N=C(c2ccccn2)O[C@H]1c1ccccc1 210279 FBXZTVLHMLAKBJ-KBPBESRZSA-N 254.289 1.961 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1 243998 UVXZHJFRFIKQMT-UHFFFAOYSA-N 267.350 1.923 0 50 CDAA Cc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O 379766 OCGBWIPMYUJBGC-UHFFFAOYSA-N 296.392 1.383 0 50 CDAA CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1N 527615 RYWQJZQRVFKINO-UHFFFAOYSA-N 293.352 1.098 0 50 CDAA NC(=S)Nc1ccc(I)cc1 574022 USIFVFMNOLGPNL-UHFFFAOYSA-N 278.118 1.947 0 50 CDAA in-vitro CN1CCN(C(=S)c2ccc(N(C)C)cc2)CC1 611641 DMBBYVLXSFJJQC-UHFFFAOYSA-N 263.410 1.676 0 50 CDAA COc1cccc2cc(C(=O)n3ccc(C)n3)c(=O)oc12 615863 KJVHWCISYVICAW-UHFFFAOYSA-N 284.271 1.995 0 50 CDAA Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)c1 2993801 YIGODOHMWVZKAW-ZDUSSCGKSA-N 290.363 1.846 0 50 CDAA OC[C@H]1[C@@H]2CC[C@@]3(CN(CCn4cc(Cl)cn4)C[C@@H]13)O2 2356167814 DDIQQNZJRYIHPX-RFGFWPKPSA-N 297.786 1.008 0 50 CDAA O=C(O)CCC(=O)NC1CCN(Cc2ccccc2)CC1 4187930 RQMKBOIGAVXXMQ-UHFFFAOYSA-N 290.363 1.632 0 50 CDAA Cc1csc(NC(=O)c2cnc3sccn3c2=O)n1 4251591 WNLBQENBGUQSNZ-UHFFFAOYSA-N 292.345 1.773 0 50 CDAA O=c1c2c([nH]c3c(Br)cnn13)CCC2 102136833 QFKWGFFIBGWPST-UHFFFAOYSA-N 254.087 1.274 0 50 CDAA Cc1ccc(NC(=O)CC(=O)N2CC[C@@H](O)C2)c(C)c1 55036787 ISFHIBXMUPIZAB-GFCCVEGCSA-N 276.336 1.225 0 50 CDAA O=C(Nc1cnc2n1CCCC2)c1n[nH]c2c1CCC2 67774339 GAXJWCNPQBJSGI-UHFFFAOYSA-N 271.324 1.684 0 50 CDAA Cc1nc2c(N(CCCO)Cc3ccncc3)ncnc2o1 63844462 PHTGNQIPAPMAHX-UHFFFAOYSA-N 299.334 1.710 0 50 CDAA CN1CCN(CCCCOc2ccccc2CO)CC1 22995817 GDBWRHHCEPPMRK-UHFFFAOYSA-N 278.396 1.585 0 50 CDAA CCc1nnc(CN2CCC=C([C@@H](C)N(C)C(C)=O)C2)o1 65404617 GJTOZBJWRKVLKU-LLVKDONJSA-N 292.383 1.631 0 50 CDAA CCc1nnc(C)cc1C(=O)NC1CCC(C(=O)O)CC1 229156121 CJINXEKVDCWCGB-UHFFFAOYSA-N 291.351 1.721 0 50 CDAA Cc1ccc2cc(C(=O)NC[C@@H]3CNCCO3)ccc2n1 423991663 MQFNDTBFKMUZSB-AWEZNQCLSA-N 285.347 1.261 0 50 CDAA Cc1cnc(N2CCO[C@@H](C)C2)nc1N1CCO[C@@H](C)C1 229853173 GILSPRAYVBMKHO-STQMWFEESA-N 292.383 1.235 0 50 CDAA CCC[C@H](N)c1cn(Cc2csc(C)n2)nn1 229962724 XJRPICSYEHJYPT-JTQLQIEISA-N 251.359 1.891 0 50 CDAA Cc1cnc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)cn1 67758457 DMZSEIRVUZWGQT-NWDGAFQWSA-N 260.341 1.094 0 50 CDAA O=C(CC1(Cn2cccc2)CCCCC1)Nc1nn[nH]n1 409413071 BIHOZHUJCZJKKG-UHFFFAOYSA-N 288.355 1.981 0 50 CDAA C[C@@](O)(CN1C(=O)C[C@]2(CCSC2)C1=O)C(F)(F)F 253426868 YYBWMSFATIUBGL-ZJUUUORDSA-N 297.298 1.182 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1Cc1noc(COC)n1 77299710 XPZOHEROZZFJLQ-NSHDSACASA-N 296.371 1.049 0 50 CDAA CN(Cc1ccc(CCC(C)(C)O)cc1)[C@H]1COC[C@@H]1O 72458298 WTZWPCYUSDMWEB-HOTGVXAUSA-N 293.407 1.582 0 50 CDAA CC(=O)NCC1CCN(C(=O)[C@H](C)c2ccccn2)CC1 330457695 OVBSWDRUWPNHPH-GFCCVEGCSA-N 289.379 1.560 0 50 CDAA CCC[C@@H]1C(=O)NCCN1C(=O)c1cc2occc2[nH]1 122691154 JAAXMAQPGVMJBZ-LLVKDONJSA-N 275.308 1.502 0 50 CDAA CC[C@@H]1C(=O)N(c2ncn(C(C)(C)C)n2)C(=O)N1C1CC1 328595404 UISGQOFUHDMFLT-SNVBAGLBSA-N 291.355 1.743 0 50 CDAA CCc1cc(N2CCCNCC2)n2nc(C)c(C)c2n1 72424271 FYKJZUGMCPGVJL-UHFFFAOYSA-N 273.384 1.708 0 50 CDAA CCCOCCN1CCn2nc([C@H](O)C3CC3)cc2C1 219925473 KPOYCOGSKKDRHG-OAHLLOKOSA-N 279.384 1.569 0 50 CDAA CN1CCC[C@H](N(C)C(=O)c2conc2C2CC2)C1 253417695 DSKYJDAEURIVJS-NSHDSACASA-N 263.341 1.718 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)C(=O)C1(O)CCCCC1 328640952 XRIMKGSQERQEEX-ZDUSSCGKSA-N 291.395 1.599 0 50 CDAA Cc1n[nH]c(C)c1CN(C)[C@H](C)Cc1cnccn1 215992629 ZQAZZEUKICDJDN-SNVBAGLBSA-N 259.357 1.880 0 50 CDAA CCc1cnc(CN(C)C(=O)c2cnnn2C)s1 282770202 XLYJICOPZZUKFD-UHFFFAOYSA-N 265.342 1.106 0 50 CDAA CCC(=O)N1CC[C@@H](NC(=O)N(C)c2ccc(F)cc2)C1 242292512 YMWQGWMZNCDSEJ-GFCCVEGCSA-N 293.342 1.982 0 50 CDAA C[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](O)C2)CC12CCC2 334514358 WXGDLUVWHAGNGF-STQMWFEESA-N 294.395 1.008 0 50 CDAA O=C(Nc1cccnc1)C(=O)N1CC=C(c2ccccc2)C1 334560156 UCTWBUVHYRCWSL-UHFFFAOYSA-N 293.326 1.946 0 50 CDAA COc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)O)c(OC)c1 262213055 WDQPPCPYUFBULV-VXGBXAGGSA-N 293.319 1.383 0 50 CDAA O=C(O)CCN(C(=O)C1CC=CC1)C1CCOCC1 238061095 GFLSLZPXOBVKPN-UHFFFAOYSA-N 267.325 1.435 0 50 CDAA O=C(c1ccc(O)nc1)N1CCC[C@H]2CNCCC[C@@H]21 373564928 WNEBAYLXNOLPBF-AAEUAGOBSA-N 275.352 1.391 0 50 CDAA CCN1C[C@@H](Nc2ncnc3ccc(C)cc23)CC1=O 450768953 WUARWCPUWRQFAK-NSHDSACASA-N 270.336 1.971 0 50 CDAA FC(F)(F)CCc1ccnc(NCc2nc[nH]n2)n1 71759972 LABDPWKVQJRXDC-UHFFFAOYSA-N 272.234 1.702 0 50 CDAA Cc1ccc(O)c(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 284783928 YLEVMDNTOALYBJ-CFVMTHIKSA-N 292.379 1.457 0 50 CDAA CNC(=O)CCN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 340234883 FOIXPTIIOFWMCN-GWCFXTLKSA-N 284.306 1.209 0 50 CDAA COC(=O)[C@H]1OC(C)(C)O[C@@H]1COCc1ccccc1 43199040 SRUZFNIJYDKSFU-OLZOCXBDSA-N 280.320 1.896 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)co1 286327497 ODAIVRJEKZKXOR-MJBXVCDLSA-N 279.336 1.590 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(C1)OC(=O)N=C2O 328578089 ZFYOLMHKHVOXRA-GFCCVEGCSA-N 270.285 1.863 0 50 CDAA CO[C@H](CNC(=O)c1ccc(C(=O)O)c(C)n1)C(C)(C)C 263335181 NHKKWALZMOOHPF-GFCCVEGCSA-N 294.351 1.879 0 50 CDAA CN1CCC(CNC(=O)COc2ccc(F)cc2F)CC1 194939564 ONYQADDZIWEQIZ-UHFFFAOYSA-N 298.333 1.802 0 50 CDAA CCN(CCCCO)C(=O)NCc1ncc(C)[nH]1 426662001 KFICKBSYVQXJQI-UHFFFAOYSA-N 254.334 1.022 0 50 CDAA C=CC(=O)NCCC(=O)Nc1cnc(C(C)(C)C)nc1 160342273 OFUMIHIATRAXDX-UHFFFAOYSA-N 276.340 1.405 0 50 CDAA Cc1nccn1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 426689890 PYCZESXIVUQICU-CQSZACIVSA-N 299.330 1.230 0 50 CDAA CC(C)C[C@H](CO)NC(=O)c1cccnc1S 160829190 LDPVTUGMGJSTPU-SECBINFHSA-N 254.355 1.507 0 50 CDAA CCCCNC(=O)CN(C)c1cc([C@@H]2CCOC2)ncn1 426740329 CUUXSHBJPIYPLG-GFCCVEGCSA-N 292.383 1.333 0 50 CDAA Cc1cc(C(=O)NCc2ccncc2C)nc(C)n1 428172505 ZMTZATKLTWARBF-UHFFFAOYSA-N 256.309 1.727 0 50 CDAA O=C(O)c1cc(N2CCC3(CC2)OCCC[C@H]3O)ccn1 91747099 HFKFITIOTIJOOL-CYBMUJFWSA-N 292.335 1.290 0 50 CDAA COCC[C@@]1(C(=O)O)CCCN(Cc2cccnc2)C1 91519266 GFYMKMUIFZGHQX-HNNXBMFYSA-N 278.352 1.785 0 50 CDAA C[C@]1(O)CCN(CCCCOc2ccccc2)C[C@@H]1O 96161621 AGBUSNAYHSSIKD-HOTGVXAUSA-N 279.380 1.663 0 50 CDAA COc1cccn([C@@H](C)C(=O)N2CCCC2)c1=O 95511293 XSXDIPKKJZAIJV-JTQLQIEISA-N 250.298 1.040 0 50 CDAA Cc1cccc(=O)n1CCCn1cc([C@@H]2CCOC2)nn1 91847381 SIGTWKMLBLFHEC-CYBMUJFWSA-N 288.351 1.342 0 50 CDAA CC[C@]1(CO)CCCN(Cc2noc(COC)n2)C1 91780426 FWEOPADUNJVNDR-ZDUSSCGKSA-N 269.345 1.201 0 50 CDAA CN(CCO)C1CCN(C(=O)OC(C)(C)C)CC1 141791338 UHHVOWADPHQJKX-UHFFFAOYSA-N 258.362 1.310 0 50 CDAA Cc1c(NC(=O)N2CC[C@@H](N(C)C)C2)cccc1C(N)=O 96141687 YCQPBXFNSFYFSL-LLVKDONJSA-N 290.367 1.262 0 50 CDAA CC(C)n1ccc(C(=O)NC[C@]2(O)CCC[C@@H]2C)n1 294433986 VDZDEGFSBJYVQZ-SMDDNHRTSA-N 265.357 1.745 0 50 CDAA CCSCCNC(=O)c1cnc(N(C)C)nc1C 97547722 RYTCYCDGMKKYLK-UHFFFAOYSA-N 268.386 1.334 0 50 CDAA CCCCn1nccc1NC(=O)N[C@H](C)c1n[nH]c(C)n1 96164735 FMIWSDWTHUOQMC-SECBINFHSA-N 291.359 1.992 0 50 CDAA CCS(=O)(=O)c1cccc(-c2cnn(C)c2)c1 96136280 ISFNOUSWECLKMR-UHFFFAOYSA-N 250.323 1.881 0 50 CDAA O=C(NC1(C(=O)O)CC1)[C@@H]1SCCc2sccc21 237945849 AVCDUDUXYMXXKQ-SECBINFHSA-N 283.374 1.812 0 50 CDAA O=C(COC[C@H]1CCCCO1)NCc1cccnc1 244831499 UERVJWOGPKFLFL-CYBMUJFWSA-N 264.325 1.284 0 50 CDAA CN(C)c1ccc(CC(=O)NC2(C(=O)O)CCCC2)cc1 244773876 PIFPMGCDCPIPMB-UHFFFAOYSA-N 290.363 1.809 0 50 CDAA O=C1CCc2c1cccc2C(=O)N1CCC[C@H]1C(=O)O 534634206 FQUOBUOTUXFABG-LBPRGKRZSA-N 273.288 1.505 0 50 CDAA CN(Cc1ccsc1)C(=O)[C@@H]1NCCc2nc[nH]c21 534649980 MBAFPSVYSPSMEF-GFCCVEGCSA-N 276.365 1.317 0 50 CDAA O=C(CCn1cnnn1)NC1(c2cc(F)ccc2F)CC1 534665975 OQUDJWMFBFNVJS-UHFFFAOYSA-N 293.277 1.147 0 50 CDAA CCc1nccn1CCNC(=O)N1CCCC[C@@H]1CO 534580364 LVYYUYFQMKDAJE-GFCCVEGCSA-N 280.372 1.002 0 50 CDAA COCC1(CNC(=O)c2cncn2C)CCCC1 456872330 ULXYXLXQJHNCAG-UHFFFAOYSA-N 251.330 1.357 0 50 CDAA COc1cccc([C@H](C(=O)O)N(C)C[C@@H]2COCCO2)c1 634692539 CRSYSGVHOWJZTN-ZIAGYGMSSA-N 295.335 1.168 0 50 CDAA O=C(NCCc1noc(C(F)(F)F)n1)[C@H]1CCCCO1 299802092 WPEUGQRBDRFCAH-SSDOTTSWSA-N 293.245 1.316 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)c1nn(C)c(C)c1Cl 299788048 ZWYQZRYOMYAPOA-ZETCQYMHSA-N 296.762 1.484 0 50 CDAA O=C(O)c1ncc[nH]c1=NC[C@H]1CCN(C2CCCC2)C1 584900298 VONXMSNQBOOTTN-LLVKDONJSA-N 290.367 1.273 0 50 CDAA CN(CC1(CO)CCCC1)C(=O)CN1CCCCC1 584896196 PUFAEHOGEJQCRH-UHFFFAOYSA-N 268.401 1.483 0 50 CDAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(CO)o1 828825999 QCUCCAIFITVGKH-ZDUSSCGKSA-N 291.351 1.813 0 50 CDAA CCc1ccc2ncn(CC3(C)COC3)c(=O)c2c1 584902623 QOXYMZYMVVLCKQ-UHFFFAOYSA-N 258.321 1.995 0 50 CDAA Cc1nc2c([nH]1)CN(CCCn1ccnc1C)CC2 670462536 HAZRWVGBIGZGPL-UHFFFAOYSA-N 259.357 1.671 0 50 CDAA CCn1cnnc1CCNc1ccc(C(=O)N(C)C)cn1 674265737 ZSJQOECGAOSZLI-UHFFFAOYSA-N 288.355 1.049 0 50 CDAA CC(C)c1oncc1NC(=O)CN1CCOCC1 1336051703 CQOKESHICKPLHE-UHFFFAOYSA-N 253.302 1.069 0 50 CDAA C[C@H]1CCCN(C(=O)c2cccc3cn[nH]c23)[C@H]1CN 237637906 CZAJYNFPHUEEJW-GWCFXTLKSA-N 272.352 1.762 0 50 CDAA O=C(c1ccnc(F)c1Cl)N1CC[C@@H](c2nn[nH]n2)C1 1548762448 PBYYGSRVEUYEEH-ZCFIWIBFSA-N 296.693 1.017 0 50 CDAA COCc1cc(C2CN(C[C@](C)(O)C(F)(F)F)C2)no1 886079729 YJZQXHXRIUZYCF-NSHDSACASA-N 294.273 1.534 0 50 CDAA CC(C)C[C@H](CN)CC(=O)O[C@@H]1CCN(C(C)C)C1=O 408525666 PKYIREJUIILWPS-QWHCGFSZSA-N 284.400 1.550 0 50 CDAA Cn1cccc(NC(=O)Nc2ccc(O)cc2)c1=O 170600062 TUMOVIXPHAGOMU-UHFFFAOYSA-N 259.265 1.735 0 50 CDAA CC(C)c1nnc(CCC(=O)N2C[C@H](C)N(C)C[C@H]2C)o1 408071038 OTOPUEHCQIEJOJ-NWDGAFQWSA-N 294.399 1.677 0 50 CDAA CN1CCC[C@]2(CCN(Cc3ncccc3O)C2)C1 552111054 NMQTYVONEPPPLP-HNNXBMFYSA-N 261.369 1.705 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1O2)Nc1cccc2nn[nH]c12 640378557 DKBNSCMCBXSWIJ-KBVBSXBZSA-N 272.308 1.854 0 50 CDAA c1c(C2CC2)n[nH]c1N1CCN(CC2CCOCC2)CC1 189638174 CEKGFTFVZXUBTC-UHFFFAOYSA-N 290.411 1.836 0 50 CDAA C[C@H]1CN(S(=O)(=O)CCn2ccnc2)CCC1(F)F 641500893 ZOODWOUVMGOFOQ-JTQLQIEISA-N 293.339 1.190 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)NCCn1ccnc1 189950225 DJNSBYQVSAZXLL-OLZOCXBDSA-N 294.399 1.634 0 50 CDAA CCc1ccccc1CN1CCC[C@@]1(COC)C(=O)NC 643829927 RMFNOAVPWACBCD-QGZVFWFLSA-N 290.407 1.976 0 50 CDAA O=C(N[C@@H]1C[C@H]1c1ccco1)c1cc(O)nc(C2CC2)n1 573934356 RPJXZTAZSNQTLC-NXEZZACHSA-N 285.303 1.939 0 50 CDAA NC(=O)c1csc(NC(=O)N2CCCCCC2)n1 1681226028 YGFUITPSRJJORG-UHFFFAOYSA-N 268.342 1.650 0 50 CDAA C[C@@H]1[C@@H](C(=O)O)CCCN1C(=O)c1cc(Cl)n(C)n1 1875279227 HELJCPVSVRYERD-SFYZADRCSA-N 285.731 1.399 0 50 CDAA Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)c(C)c1 121455 VGRFBLCYWKSPSO-ZDUSSCGKSA-N 263.337 1.977 0 50 CDAA CCc1nc(N(C)CC[C@@H](C)N2CCCC2)no1 1506398580 SFSLIRGDROOWAA-LLVKDONJSA-N 252.362 1.943 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC[C@@]2(CCOC2)C1 1857699300 LRXXSUXZFWGJLE-OAHLLOKOSA-N 277.368 1.762 0 50 CDAA N[C@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1800409864 KZQNOHVEKYZIAF-RWMBFGLXSA-N 252.745 1.813 0 50 CDAA C[C@H]1[C@@H](C)N(C(=O)Nc2cnns2)CCN1C 408366975 QOHKZUQMICDVSL-JGVFFNPUSA-N 255.347 1.094 0 50 CDAA COc1cc(N)c(C(=O)O)cc1I 306876323 BONNGMLFIVTCKG-UHFFFAOYSA-N 293.060 1.580 0 50 CDAA in-vitro Cc1cc(N(C)C[C@H](O)CO)nc2cc3c(cc12)CCC3 1704348432 MWMHBHDJDYGVLF-AWEZNQCLSA-N 286.375 1.821 0 50 CDAA CC(C)c1cccc(C(=O)N2CC(=O)N[C@@H](C)C2)n1 335577281 VUZWFUORGLZGLY-JTQLQIEISA-N 261.325 1.166 0 50 CDAA C[C@@H]1C[C@H]1c1nc([C@@H]2CCCN2S(C)(=O)=O)no1 252536160 HRZWCMLRXZGEQV-HLTSFMKQSA-N 271.342 1.290 0 50 CDAA CCOC(=O)Cc1csc(NC(=O)c2cc(C)on2)n1 4749578 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281.356 1.709 0 50 CDAA CN(C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21)C1CC1 666267235 VNZPAPKXGJCXCM-TUAOUCFPSA-N 250.342 1.302 0 50 CDAA CC(C)(CC(=O)O)CC(=O)N[C@H]1CC[C@H]2CC[C@H]1OC2 725264083 BVLQYIRKGIQJEO-SDDRHHMPSA-N 283.368 1.951 0 50 CDAA CCOc1cncc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)n1 583622878 ABHGZPHPVCADLE-YNEHKIRRSA-N 293.367 1.242 0 50 CDAA C[C@@]1(C(=O)Nc2ccc3[nH]ccc(=O)c3c2)CCC(=O)NC1 585128732 MBDFHPZANNDFIO-MRXNPFEDSA-N 299.330 1.383 0 50 CDAA CCC1CCN(C(=O)c2ccn3nccc3n2)CC1 585129825 XUEZXTAWOMLWCH-UHFFFAOYSA-N 258.325 1.992 0 50 CDAA COc1cncc(CN=c2[nH]c(C)nc(C)c2F)c1 585117943 FUYCWEUZLGYTOL-UHFFFAOYSA-N 262.288 1.670 0 50 CDAA O=C(Nc1cnn(-c2ccncc2)c1)[C@@H]1NCC12CCCC2 1615615573 RRHDHEIXXJLPAC-AWEZNQCLSA-N 297.362 1.738 0 50 CDAA O=C1NCCn2ncc(-c3ccc(N4CCCC4)nc3)c21 1616036702 SUWGOWCTVCLPLB-UHFFFAOYSA-N 283.335 1.289 0 50 CDAA CCCCNC(=O)CN(C)[C@H](C(=O)O)c1ccc(C)cc1 1506416043 DARUVSZJWABPET-HNNXBMFYSA-N 292.379 1.969 0 50 CDAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)Cn1cnnn1 1529160068 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1.042 0 50 CDAA O=C(Cc1cncs1)NC1(c2ccccc2F)COC1 906454756 ZFFSZAVVCBGFER-UHFFFAOYSA-N 292.335 1.867 0 50 CDAA CC(C)c1nccnc1NC(=O)c1noc2c1COCC2 906425314 FNLCIMXBEMMWPD-UHFFFAOYSA-N 288.307 1.913 0 50 CDAA C[C@@H](c1ncccn1)N1CCN([C@H](C)c2ncccn2)CC1 929158168 RFUXHMLUULTZAE-OKILXGFUSA-N 298.394 1.706 0 50 CDAA C=CC(=O)N1C[C@@H](c2cnn(C)c2)C2(CCOCC2)C1 863971053 CWAWKJWYTFYUTC-ZDUSSCGKSA-N 275.352 1.329 0 50 CDAA CO[C@@H](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 237307599 MIKHAODSNNVQKR-GXFFZTMASA-N 277.320 1.450 0 50 CDAA CC(C)(C)OC(=O)N1CCC([C@H](O)C2CCNCC2)CC1 953112189 SSVUSTRGFAPXRX-CQSZACIVSA-N 298.427 1.994 0 50 CDAA CN(C(=O)c1cc(C(N)=O)[nH]n1)[C@@H]1CCc2ccccc21 1875292900 WAIOKVPTWFPNAT-CYBMUJFWSA-N 284.319 1.268 0 50 CDAA CC(=O)N1CC2(CCS(=O)(=O)CC2)[C@H]1C(C)C 1875274708 SVFLRRLGPMHRFC-LLVKDONJSA-N 259.371 1.068 0 50 CDAA C=CC(=O)N1CCC(C(=O)NC[C@H](OC)C(C)(C)C)CC1 1875370561 TZJAOUWCORFQGR-ZDUSSCGKSA-N 296.411 1.588 0 50 CDAA CC[C@@H]1C(=O)NCCCN1Cc1nc(C(F)(F)F)no1 1875321629 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CC(=O)Oc1ccc(C(=O)Nc2nncs2)cc1 456819 VTOPVXUSEXXSHN-UHFFFAOYSA-N 263.278 1.716 0 50 CDAA CCOC(=O)[C@H]1C(=O)OC2(CCCCC2)[C@@H]1C(=O)OCC 494237 ILNXAWKNNQLIDU-QWRGUYRKSA-N 298.335 1.605 0 50 CDAA COc1ccc(CCN2CCC(=O)NC2=O)cc1C 549158 CYIHUJIENKPEDT-UHFFFAOYSA-N 262.309 1.488 0 50 CDAA O=C(NC[C@@H](O)c1cccc(O)n1)c1cncc(Cl)c1 2356161588 AXRWKRRMRBVNQV-LLVKDONJSA-N 293.710 1.299 0 50 CDAA Cc1ccc2nc(C(=O)Nc3noc(C)n3)c(F)n2c1 2356168370 ALGZNDMDKKTEQK-UHFFFAOYSA-N 275.243 1.726 0 50 CDAA O=C(NCc1ccncc1)[C@@H]1CC(=O)N(c2ccccc2)C1 4731681 KRWDSSCEIUSOCB-CQSZACIVSA-N 295.342 1.751 0 50 CDAA COCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731806 RRSWKEZGAZDZQG-JTQLQIEISA-N 296.754 1.456 0 50 CDAA COc1cc(CN2CCC[C@H](CO)C2)cc2c1OCO2 4948193 URPGSBSFLHUJNG-NSHDSACASA-N 279.336 1.628 0 50 CDAA Nc1nc(SCc2ccc3c(c2)OCO3)n[nH]1 6492221 AKTFEEZWKATZMK-UHFFFAOYSA-N 250.283 1.408 0 50 CDAA C=CN1CC[C@H](C(=O)c2cc(OC)cc(OC)c2)C1=O 6658263 KXCPJWKWGXHLIL-CYBMUJFWSA-N 275.304 1.879 0 50 CDAA CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)cs1 6680314 JWSRXUQPOYYZKW-QMMMGPOBSA-N 290.410 1.527 0 50 CDAA C[C@H](NC(=O)[C@@H](O)c1cnn(C)c1)c1ccc(F)cc1F 225797892 JDNSMSKASSYPMK-SDBXPKJASA-N 295.289 1.609 0 50 CDAA O=C1[C@H]2[C@H](C(=O)N1Cc1cccnc1)[C@H]1C=C[C@H]2C12CC2 104318859 BWNLPRKWWSDRAY-AAVRWANBSA-N 280.327 1.779 0 50 CDAA CCc1ccccc1NC(=O)CCn1ccc(=O)[nH]c1=O 170576282 OEHZTVNSXPMZCE-UHFFFAOYSA-N 287.319 1.128 0 50 CDAA CCOC(=O)c1cnc2nc(SCC)nn2c1C 66324818 JMLQFWYTVYHXIJ-UHFFFAOYSA-N 266.326 1.721 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)c1ccc(F)cn1 228564469 SFTJLUFQFFFNBK-SNVBAGLBSA-N 266.272 1.690 0 50 CDAA COc1ncccc1C(=O)NCC1CCN(C)CC1 67713194 ZQOHCPSVYFCWLC-UHFFFAOYSA-N 263.341 1.162 0 50 CDAA O=S(=O)(CC12CCC(CC1)C2)N1CCC[C@H]1CO 329752917 WMUZZJFMLKGRTC-CPCZMJQVSA-N 273.398 1.353 0 50 CDAA C[C@H]1C[C@@H](Cn2nc(-c3cnn(C)c3)ccc2=O)CCO1 329772304 HHYSOHUODZIGRM-RYUDHWBXSA-N 288.351 1.459 0 50 CDAA Cc1noc(CCCC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1 229386568 CQTOARQWOSMFOU-STQMWFEESA-N 292.383 1.444 0 50 CDAA COc1cccc(SCC(=O)N[C@@H]2CC[C@@H](N)C2)c1 67692133 UVVQCCOSCMLCFJ-GHMZBOCLSA-N 280.393 1.783 0 50 CDAA COc1ccc(Cc2cnc(N)nc2N)cc1OC 24946 LDBTVAXGKYIFHO-UHFFFAOYSA-N 260.297 1.249 0 50 CDAA biogenic,in-man CC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)cc1 967917 DURULFYMVIFBIR-ZDUSSCGKSA-N 266.341 1.383 0 50 CDAA biogenic,world Cc1csc([C@H](C)NS(=O)(=O)N2CCCC2)n1 408079562 HOZROEORIAVHMW-VIFPVBQESA-N 275.399 1.443 0 50 CDAA COC(=O)c1nc(-c2ccc(S(N)(=O)=O)cc2)cs1 328595969 MAOLDGDNQDZHGX-UHFFFAOYSA-N 298.345 1.244 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc2c[nH]nc2c1 328640775 QEMJFEPNONRVTB-ZFWWWQNUSA-N 297.362 1.916 0 50 CDAA C[C@@H](O)C[C@H]1CCCN1C(=O)Nc1ccc(F)cn1 123137635 GTLOAVTYKWCUII-MWLCHTKSSA-N 267.304 1.988 0 50 CDAA O=C(COCC1CC1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253395593 FKACYHNCZGOSPW-RBSFLKMASA-N 281.396 1.955 0 50 CDAA CCCN1C[C@H](C(=O)N2CCC[C@@H](C)C2)CC1=O 33359485 QDMZJYKDDLDBKS-VXGBXAGGSA-N 252.358 1.503 0 50 CDAA CC(C)(O)CCc1ccc(CN2CCC[C@H]2C(N)=O)cc1 72429273 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CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(OC)c(C(=O)O)c1 299742833 KUFMEXGINYFKTQ-GWCFXTLKSA-N 293.319 1.435 0 50 CDAA COc1ncc(Br)c2c1NC(=O)CO2 261508820 XGHPXQDPVPGPNM-UHFFFAOYSA-N 259.059 1.184 0 50 CDAA CCc1nc(CCN[C@H](C)Cn2cncn2)cs1 534666174 FAJAMIOICCPCTF-SNVBAGLBSA-N 265.386 1.518 0 50 CDAA NC(=O)c1ccc(=NCC2CCN(CC3CC3)CC2)[nH]c1 534647261 KYMROKCZINLAMC-UHFFFAOYSA-N 288.395 1.136 0 50 CDAA CCCNC(=O)CSc1ncnc2scnc12 2325779982 WRFXKECLZKMMFO-UHFFFAOYSA-N 268.367 1.705 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1cc2ncccn2n1 299780036 QZLPWHZPRIWOLR-JTQLQIEISA-N 299.338 1.222 0 50 CDAA Cc1ncsc1CN1CCc2c(c(CO)nn2C)C1 584896342 YYEFKJFUSNWOEV-UHFFFAOYSA-N 278.381 1.236 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H]1CC13CCNCC3)C2 584885640 ALRGWHZJYVMSGY-RQJABVFESA-N 278.396 1.260 0 50 CDAA CC1=NO[C@](C)(C(=O)N2CCN(C(=O)CC(C)C)CC2)C1 584903150 XFGAAVYRRDURDZ-HNNXBMFYSA-N 295.383 1.258 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cnn[nH]2)c(C)s1 584892042 XUGACJOQBTZYTR-RXMQYKEDSA-N 251.315 1.369 0 50 CDAA COc1cccc(N2CCN([C@@H]3CCOC3)CC2=O)c1 670437803 ZZSOJORNRKALBT-CYBMUJFWSA-N 276.336 1.133 0 50 CDAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@H]1CCN1 670453894 LTDKYZLYQPPANU-LLVKDONJSA-N 292.770 1.627 0 50 CDAA Cc1c(C(=O)NCc2nc(O)n[nH]2)n[nH]c1-c1ccccc1 670472888 VCMOLDHEOHEGSN-UHFFFAOYSA-N 298.306 1.139 0 50 CDAA CC(C)(O)[C@@H]1CCN(Cc2ccc(OCCO)cc2)C1 670444631 JLNFGVHLIUGRTR-CQSZACIVSA-N 279.380 1.651 0 50 CDAA CCCc1ncncc1C(=O)N(C)Cc1ncon1 670443386 BMUKCESHUOGYBA-UHFFFAOYSA-N 261.285 1.084 0 50 CDAA CCc1cc(CN2CCCC[C@H]2C(=O)NC)on1 244678639 IHKQRBQLIBCPGD-LBPRGKRZSA-N 251.330 1.338 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](CO)CC(F)(F)C1 66324274 DKUMSJHVAJEAQF-MRVPVSSYSA-N 251.273 1.871 0 50 CDAA in-vitro CC[C@@H](Cc1ccco1)NCCN1CCNCC1 952870360 YCJNTXHSIPFHLM-ZDUSSCGKSA-N 251.374 1.096 0 50 CDAA O=C(OC1CCCC1)N1CC(c2n[nH]c3c2COCC3)C1 1464825793 BZMDZPXFLQPKRR-UHFFFAOYSA-N 291.351 1.961 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)no1 275423237 OYZKSBDQSIAMLM-WCQYABFASA-N 290.323 1.367 0 50 CDAA Cc1cc2ncnc(N3CCC(N)(CO)CC3)c2cc1C 170085379 YFAUXWFAJPYQLE-UHFFFAOYSA-N 286.379 1.537 0 50 CDAA CCOc1ccc(CN2CCCN(C(N)=O)CC2)cc1F 278474451 RCGZINOZKHVHIR-UHFFFAOYSA-N 295.358 1.811 0 50 CDAA COc1ncc(C)cc1NC(=O)c1snnc1C 170612299 QYUGJWGWJJWVCI-UHFFFAOYSA-N 264.310 1.811 0 50 CDAA CC[C@]1(C)CN(C(=O)N[C@H]2CCO[C@@H]2C)CCO1 170604105 OZTJVHOLKRCWSG-NTZNESFSSA-N 256.346 1.374 0 50 CDAA Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cc(C)n(C)n1)CC2 407967996 RWMWDDMQRWUJMA-CMPLNLGQSA-N 274.372 1.294 0 50 CDAA CSCC[C@H](NC(=O)c1nc(C)sc1C)C(N)=O 600257332 LKMIJFNJIJBZOW-QMMMGPOBSA-N 287.410 1.097 0 50 CDAA CC(C)Cc1n[nH]c(=NC(=O)N2C[C@H](O)C[C@@H]2C)s1 408287331 QMOUDRIALFGNNK-DTWKUNHWSA-N 284.385 1.146 0 50 CDAA O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc[nH]n1 187808694 KMTIPFNDRSVCTB-LDYMZIIASA-N 291.273 1.623 0 50 CDAA O=C(CN1C[C@@H]2C[C@]2(O)C1)Nc1ccc2c(c1)CCC2 640475621 FAURFVVAYFJFLT-BBRMVZONSA-N 272.348 1.180 0 50 CDAA COc1cc(C)c(S(=O)(=O)N[C@H]2CCCNC2)cc1C 193352366 WRWYZUIFLDHDJO-LBPRGKRZSA-N 298.408 1.342 0 50 CDAA Cc1nc(=NC2CCC(CS(C)(=O)=O)CC2)s[nH]1 649385925 ARFVJTOESSJJNB-UHFFFAOYSA-N 289.426 1.284 0 50 CDAA O=C1CC[C@H](Nc2ccc(Cl)cn2)[C@@H]([C@@H]2CCCO2)N1 564561711 FWLUPJBBTXWOAS-MJVIPROJSA-N 295.770 1.973 0 50 CDAA CO[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cn1 195569127 PXAWPESZZODQCI-UWVGGRQHSA-N 253.277 1.910 0 50 CDAA Cn1ccnc1NC(=O)CCc1ccc2c(c1)OCO2 1142974754 OLZYETHNIYISOP-UHFFFAOYSA-N 273.292 1.720 0 50 CDAA C[C@@H](NC(=O)c1ccccc1CC1CCNCC1)C(=O)O 578537999 MTPBDYJTORSQCP-LLVKDONJSA-N 290.363 1.432 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2CC(N3CC[C@H](O)C3)C2)CC(C)(C)C1 585089872 VPNIYRRIJAURCQ-IPYPFGDCSA-N 294.439 1.726 0 50 CDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2nc(C)cs2)C1 585086823 WBBJIEFEWCMRRH-SNVBAGLBSA-N 279.365 1.815 0 50 CDAA C[C@@H]1C[C@@H](CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC(=O)N1 585127508 BUUPWUCRLWVPMF-BJJPWKGXSA-N 278.396 1.844 0 50 CDAA c1ccc([C@H]2CCCN2c2cncc3ncnn23)nc1 679927072 MVEXABXANOHEOJ-GFCCVEGCSA-N 266.308 1.861 0 50 CDAA CN(CC(=O)N1CCCC1)c1noc(-c2ccccc2)n1 681207517 DFDYDDXVLAQQNG-UHFFFAOYSA-N 286.335 1.795 0 50 CDAA CC[C@H](C)[C@H](C(=O)Nc1ccc(Cl)nc1)n1cnnn1 1615155053 MKVVROHTEQBHEN-GZMMTYOYSA-N 294.746 1.947 0 50 CDAA C=CC(=O)NC[C@]1(F)C[C@@H](CNC(=O)OC(C)(C)C)C1 1875377814 OKSDHRQVHJFOOW-WJONMLJTSA-N 286.347 1.932 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)Cc1cc(OC)ns1 1348485532 OLTHZPFLAOTRTM-UHFFFAOYSA-N 297.380 1.145 0 50 CDAA CN1CCC(n2nccc2NC(=O)[C@H]2CCCO2)CC1 1506398714 DVQAZJPVEXBAAF-GFCCVEGCSA-N 278.356 1.267 0 50 CDAA CNc1nc(C(=O)N2CCCC[C@]2(C)C(=O)O)cs1 217556461 CYGHXUSFDQDTKT-GFCCVEGCSA-N 283.353 1.654 0 50 CDAA CCCn1nc(C)cc1NC(=O)CCCN1CCCC1=O 1529174521 XLAYCNCKLDWQTC-UHFFFAOYSA-N 292.383 1.943 0 50 CDAA Cc1nc(N(C)C)nc(NCC2(C)COC2)c1C 1529113722 IHRYXBQHVHZNTF-UHFFFAOYSA-N 250.346 1.608 0 50 CDAA Cc1ccc(O)c(C(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)c1 213124193 JHRCGVQNANPIAH-STQMWFEESA-N 274.364 1.867 0 50 CDAA Cn1cccc1C(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 216977152 QDRGEBGDXAXEAR-KGLIPLIRSA-N 298.342 1.966 0 50 CDAA CC(C)(C)OC(=O)N1CC2(C1)OCC[C@@H]2CCO 306131653 KLEPKXHBHJIVDF-JTQLQIEISA-N 257.330 1.395 0 50 CDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc[nH]1)C2 220116779 QHQIOKQRCGDFCE-NEPJUHHUSA-N 275.352 1.488 0 50 CDAA CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]3C2)cc1 628499698 MUXRRHURRNFORL-QWRGUYRKSA-N 265.334 1.182 0 50 CDAA Cc1cscc1NC(=O)NC[C@H]1CNCCO1 333117839 HRIAOMJSBJVYRI-SECBINFHSA-N 255.343 1.166 0 50 CDAA Cc1ccnc(N[C@H]2COC[C@H]2Cc2ccncc2)n1 1704329708 YGIZAWKUURYUCC-KGLIPLIRSA-N 270.336 1.850 0 50 CDAA Cc1cc(OCCN(C)C)ccc1NC(=O)C(C)(C)O 252507444 WLXXQFDPUFOTAQ-UHFFFAOYSA-N 280.368 1.645 0 50 CDAA COc1ccc(CCCN2C(=O)C[C@H]3NCC[C@H]32)cc1 1800413453 HWFNDQIRRSCZIL-HUUCEWRRSA-N 274.364 1.591 0 50 CDAA Cc1nc(C)c(CNC(=O)c2nc(Cl)n(C)n2)s1 1857680631 QZWDNBGIEPMYBG-UHFFFAOYSA-N 285.760 1.472 0 50 CDAA Cc1nsnc1C(=O)N1CCN(c2cccnc2)CC1 1857706591 MQAFQYZQUPZWCT-UHFFFAOYSA-N 289.364 1.204 0 50 CDAA Cc1cc2c(C)nc(NC(=O)[C@H]3CCOC3)nc2o1 1857720648 DAZUISLCJUXUQG-VIFPVBQESA-N 261.281 1.815 0 50 CDAA O=C(NC1CCC1)[C@@H]1CC(=O)N(c2nccs2)C1 365844850 TXFYZESEFHMFTD-MRVPVSSYSA-N 265.338 1.165 0 50 CDAA CCO[C@@H](C)C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 262445206 ONZYXKKOJBUXDX-UWVGGRQHSA-N 255.314 1.125 0 50 CDAA NCCCNC(=O)c1cc(Br)ccc1O 124355414 IBKBGFSZOOKBLO-UHFFFAOYSA-N 273.130 1.233 0 50 CDAA CN(CC(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1)Cc1ccccc1 1775977258 IMAKLPSLLHWRPZ-ZSHCYNCHSA-N 288.391 1.348 0 50 CDAA CCn1nc(C)cc1C(=O)NCc1cccnc1N(C)C 11878690 PIEAAYOXAAUPHK-UHFFFAOYSA-N 287.367 1.602 0 50 CDAA COc1ccc(NC(=O)NCCN2CCOCC2)cc1 16381950 CHBFSRYMVRHNQP-UHFFFAOYSA-N 279.340 1.149 0 50 CDAA O=C(NCc1nnc(-c2ccccc2)[nH]1)c1cn[nH]c1 19143946 AIVCELGXPGFXPZ-UHFFFAOYSA-N 268.280 1.125 0 50 CDAA COc1ccc(OC)c(NC(=O)CN2CCC(N)CC2)c1 19688425 QNKOUYHWYZUCGO-UHFFFAOYSA-N 293.367 1.065 0 50 CDAA Cc1ccn(CCNC(=O)c2ccccc2-c2ncn[nH]2)n1 19956954 HMUIELKVKDRXFU-UHFFFAOYSA-N 296.334 1.407 0 50 CDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1ccncc1F)C2 1857672334 SBVMZHCKDADVOH-CQSZACIVSA-N 293.298 1.278 0 50 CDAA CN(Cc1cnn(-c2ccccc2)c1)c1n[nH]c(=N)s1 1857680201 DWPXUABOLVCULN-UHFFFAOYSA-N 286.364 1.773 0 50 CDAA CSc1ccc2c(c1)CCN(C(=O)CCO)C2 1857704326 NYEQVOHKAPXMTK-UHFFFAOYSA-N 251.351 1.676 0 50 CDAA COCC(=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857709274 OYZRLINTYGGDOG-UHFFFAOYSA-N 299.374 1.661 0 50 CDAA CCC[C@@]1(CO)CN(c2ncnc3[nH]ccc23)CC[C@H]1O 1857721023 VUDPSPAXMOZBLI-DOMZBBRYSA-N 290.367 1.308 0 50 CDAA Cc1cc(CNC(=O)N2C[C@H](F)C[C@H]2CO)ccc1F 335807083 XOUVRRRWKIYEHE-NEPJUHHUSA-N 284.306 1.748 0 50 CDAA Cc1noc([C@H]2CN(C[C@@H]3CCCCO3)CCN2C)n1 328985366 ZONMGOWLIVTUKC-QWHCGFSZSA-N 280.372 1.236 0 50 CDAA C[C@@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)CC[C@H]1C 127210461 VLSPDYWVRYTNIX-VXGBXAGGSA-N 283.416 1.836 0 50 CDAA CCN1CC[C@@H](CNC(=O)N=c2ccc(C3CC3)n[nH]2)C1 448158595 VHWIGWLUHLAEFS-NSHDSACASA-N 289.383 1.239 0 50 CDAA Cc1ncc(CNC[C@@H]2CCCO[C@H]2c2nccn2C)o1 657492156 SHHYBWQPODBEEQ-GXTWGEPZSA-N 290.367 1.974 0 50 CDAA COc1cc(F)cc(C[C@H](C)NC(=O)c2cnc[nH]2)c1 457053818 JPNWKRWMMFXIRZ-VIFPVBQESA-N 277.299 1.918 0 50 CDAA C[C@H](N)C1CCN(C(=O)c2cccc(NC(N)=O)c2)CC1 262501608 HGVGOULMKUESNM-JTQLQIEISA-N 290.367 1.377 0 50 CDAA Cc1cc(N2CC[C@@](C)(C(=O)O)C2)nc(C2CC2)n1 263410651 MGIBFAYLNARGHV-CQSZACIVSA-N 261.325 1.963 0 50 CDAA CCn1nc(C)c(NC(=O)c2cnn3cccnc23)c1C 266138816 LKPMSWPAYOSIQZ-UHFFFAOYSA-N 284.323 1.815 0 50 CDAA Clc1cnccc1N1CCN(c2ncccn2)CC1 267213356 BVKUKCZJLMDNBS-UHFFFAOYSA-N 275.743 1.852 0 50 CDAA Cc1ccccc1CN(C)C(=O)[C@]12CNC[C@H]1CCOC2 912003853 AAVRNBPGIAENGZ-WBVHZDCISA-N 288.391 1.580 0 50 CDAA COC[C@@H](OC)c1noc(-c2cccc3[nH]ncc23)n1 824347201 KYEXPMWPJYGNPU-LLVKDONJSA-N 274.280 1.947 0 50 CDAA C[C@@H]1CN(C(=O)c2cccc3nc(O)oc23)C[C@H]1C(=O)O 833624468 TZMSGRKICMJVLM-VXNVDRBHSA-N 290.275 1.326 0 50 CDAA c1ccc2c(c1)nc(N1CCOCC3(CC3)C1)c1nnnn12 1120034984 LSZAAEWUZVTCKR-UHFFFAOYSA-N 296.334 1.289 0 50 CDAA COc1nccc(C(=O)N2CC[C@H](C3CCOCC3)C2)n1 935077414 JXAOEZNOHAJTFR-LBPRGKRZSA-N 291.351 1.374 0 50 CDAA O=C(c1cccc(F)c1O)N1CCO[C@@]2(CCOC2)C1 935432248 KGKWDRFWFIPKFH-AWEZNQCLSA-N 281.283 1.163 0 50 CDAA Cc1cc(C(=O)Nc2cnn[nH]2)nn1[C@@H](C)C1CC1 935596172 HMGJAEKMIBRALY-QMMMGPOBSA-N 260.301 1.533 0 50 CDAA O=C(C=C1CCNCC1)NCC[C@H]1CCCCO1 852884375 KBFPDLQMHMTGBE-CYBMUJFWSA-N 252.358 1.372 0 50 CDAA CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 12333887 FILPZTQWFNALGW-UHFFFAOYSA-N 250.317 1.784 0 50 CDAA CC(C)n1ccc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)n1 864381843 KDNMUSLAESIIST-SNVBAGLBSA-N 288.355 1.399 0 50 CDAA NCC12CC(C(=O)Nc3cccc4cnncc34)(C1)C2 1875292592 NHOVSCZINUYDEO-UHFFFAOYSA-N 268.320 1.697 0 50 CDAA CCOCc1cccc(S(=O)(=O)Nc2nncs2)c1 1875279936 LZGUWSILAVANIQ-UHFFFAOYSA-N 299.377 1.875 0 50 CDAA Cc1cc(C)nc(C(=O)N[C@@H](c2nn[nH]n2)C(C)C)c1 1875252583 LBJFEYCVHKEISA-LLVKDONJSA-N 274.328 1.339 0 50 CDAA CCc1ccc(C(=O)N[C@@H](C(=O)O)c2cscn2)o1 1875310872 FPUPYDZTWVXXGZ-SNVBAGLBSA-N 280.305 1.854 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2c[nH]nc2C)C1 888079181 IHNVXTCKOVYGDX-VXGBXAGGSA-N 261.329 1.403 0 50 CDAA CN(Cc1cn[nH]c1)C(=O)[C@H](CN)C1CCCCCC1 1772224010 MYTVPHPJKGWEPJ-CQSZACIVSA-N 278.400 1.913 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1cc2cnccc2[nH]1 1775600661 RVWRTQQGPWAWBZ-UKRRQHHQSA-N 270.336 1.577 0 50 CDAA Cc1nccnc1NC(=O)c1cc(C(F)(F)F)nn1C 1775999605 PUVRYWBVTRJBNO-UHFFFAOYSA-N 285.229 1.790 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)s1 237990835 ZMFATFXCAZBBKB-BDAKNGLRSA-N 283.349 1.727 0 50 CDAA COc1ccccc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20572486 BLRDBQDZQBCKHV-RYUDHWBXSA-N 278.352 1.743 0 50 CDAA C[C@H]1CN(C(=O)CCOc2ccc(F)cc2)C[C@H](C)N1 153462047 WWTVYSOLFOWWEO-RYUDHWBXSA-N 280.343 1.803 0 50 CDAA COCc1ccc(C(=O)N2CCCN(C)CC2)cc1 298709829 ZFRIDKJQWPBXNF-UHFFFAOYSA-N 262.353 1.611 0 50 CDAA CC(C)Cc1nc(CN(C)C[C@H]2CCOC2)no1 65371429 IIRFHYHBGYIDEQ-LLVKDONJSA-N 253.346 1.736 0 50 CDAA O=C(O)c1ccc(NCC[C@@H]2CCCOC2)nn1 530174674 KPGOVWUNSXRLHB-VIFPVBQESA-N 251.286 1.403 0 50 CDAA Cc1ccncc1-c1noc([C@H]2OCC[C@H]2CN)n1 715540271 FTOFFYMTJGNKPG-ONGXEEELSA-N 260.297 1.476 0 50 CDAA CN(C(=O)CCc1ccnn1C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100473686 SEZASONBKGFNFH-CUFDPUGPSA-N 291.395 1.361 0 50 CDAA C[C@H]1CCCc2nc(C(=O)N(C)C[C@H]3CCOC3)cn21 2325798773 ZVNFJZZMTBSVPC-NWDGAFQWSA-N 277.368 1.889 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)c2c(O)cccc2OC)[C@@H]1OC 907384755 MYJWRVHVQXUTGW-IUPBHXKESA-N 295.335 1.323 0 50 CDAA COc1ccccc1OCC(=O)NCc1ccco1 116368 ISUXVXAPAVODDR-UHFFFAOYSA-N 261.277 1.983 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(F)cc2)S1 182329 RWYVTYOCWATKQI-LLVKDONJSA-N 281.312 1.827 0 50 CDAA N[C@@H](Cc1ccc(I)cc1)C(=O)O 391104 PZNQZSRPDOEBMS-QMMMGPOBSA-N 291.088 1.246 0 50 CDAA in-vivo CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1 463948 MKTUPNDVWDROLW-UHFFFAOYSA-N 296.392 1.320 0 50 CDAA CCCn1nnc(NC(=O)/C=C/c2ccccc2)n1 1868047 SLTGHDFTOXFNKB-CMDGGOBGSA-N 257.297 1.735 0 50 CDAA Cc1ccc(N([C@H](C)C(=O)NC2CC2)S(C)(=O)=O)cc1 2879141 XUCVZJFAXHGQTB-LLVKDONJSA-N 296.392 1.428 0 50 CDAA CCOC(=O)[C@H](C)Nc1cccc(NS(C)(=O)=O)c1 114746742 JUPDOHUKGCXBFA-VIFPVBQESA-N 286.353 1.422 0 50 CDAA CCC[C@H](C(=O)OC)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100673151 ZDXKGUITOPNZOR-HHHUOAJASA-N 277.320 1.135 0 50 CDAA CCc1ccnc(C(=O)N2C[C@H](OC)C[C@H]2COC)c1 344647263 GPLGCBHWDOPVQZ-QWHCGFSZSA-N 278.352 1.520 0 50 CDAA CCOCCN1CCN(C[C@H]2CCCCO2)C[C@H]1CC 247206971 PKUOPQFCZNLPOI-HZPDHXFCSA-N 284.444 1.988 0 50 CDAA COC(=O)C[C@@H]1Oc2ccccc2N(CCF)C1=O 55308061 RSPBOZMNFIRXHX-NSHDSACASA-N 267.256 1.313 0 50 CDAA CCc1ccc(CN2CC[C@H](O)C[C@@H]2C(=O)OC)cc1 65386495 MJFCJLQHUNTXMW-LSDHHAIUSA-N 277.364 1.747 0 50 CDAA Cc1cnc(C(=O)N2CCn3cccc3[C@H]2C)cn1 29379147 TZJHIHFEGTWNJM-LLVKDONJSA-N 256.309 1.804 0 50 CDAA CC[C@H](C(N)=O)N(c1cccc(C)c1)S(C)(=O)=O 65365924 ZDMANCQTVSCEKG-LLVKDONJSA-N 270.354 1.025 0 50 CDAA O=C1COc2ccccc2N1CCc1nc(C2CC2)n[nH]1 65374663 FDRMVWVOEVUHRZ-UHFFFAOYSA-N 284.319 1.650 0 50 CDAA C[C@@H]1CN(C(=O)c2cncc(F)c2)CC[S@](=O)C1 330328787 LYEMMWAJUNAXFR-LZVRBXCZSA-N 270.329 1.061 0 50 CDAA C=Cn1cc(C(=O)NCC[C@@H]2CN(C(C)C)CCO2)cn1 67855381 YOTRIFNEQKVDAQ-CQSZACIVSA-N 292.383 1.213 0 50 CDAA CN(CCO)c1nc(-c2ccccc2)nc2c1CCNC2 67774636 CCYFIEXDPHHRKM-UHFFFAOYSA-N 284.363 1.218 0 50 CDAA COc1cccc2ncn([C@@H](CC(C)C)C(N)=O)c(=O)c12 32587390 BVQMYCPSTKAOFD-NSHDSACASA-N 289.335 1.478 0 50 CDAA CCNC(=O)c1cccnc1N1CCSCC1 32541448 OSKVGVFODABVPI-UHFFFAOYSA-N 251.355 1.385 0 50 CDAA CCc1ccccc1N1C(=O)[C@H]2C[C@H](OC)CN2C1=O 328594869 FAJGBKSIBFPIMJ-WCQYABFASA-N 274.320 1.805 0 50 CDAA CC(C)(C)c1cc(CN2CCOC[C@@H]2CC(=O)O)n[nH]1 72153956 WFWCNABOSVNDPN-NSHDSACASA-N 281.356 1.383 0 50 CDAA O=C(CC1CCNCC1)Nc1cnn(CC2CC2)c1 253431616 HRMHYHNIWYGBDF-UHFFFAOYSA-N 262.357 1.621 0 50 CDAA CNC(=O)c1c(NC)sc(C(=O)c2ccccc2)c1N 71772337 KXFRLIWNOQFEGA-UHFFFAOYSA-N 289.360 1.963 0 50 CDAA CC(C)COCCN1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 337477125 SSSMQZYLGZHWRR-GJZGRUSLSA-N 281.400 1.100 0 50 CDAA CCN1C[C@H](Cn2cnc3sccc3c2=O)CC1=O 32498370 DIWCAVAGPIAAIZ-SECBINFHSA-N 277.349 1.326 0 50 CDAA COC1(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CCC1 365507223 HEKDMEYLULNBIA-CYBMUJFWSA-N 296.411 1.267 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 219100622 SJDNJWISGMSBAI-AGIUHOORSA-N 267.350 1.451 0 50 CDAA CN([C@H]1C[C@H](Oc2ccccc2)C1(C)C)S(N)(=O)=O 376314483 BTUGLUURYRCBLY-RYUDHWBXSA-N 284.381 1.368 0 50 CDAA CCCc1nc(C)c(C(=O)N2CCO[C@H](C(=O)O)C2)s1 236933178 SKWDFVDFCKVCGJ-VIFPVBQESA-N 298.364 1.330 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@@H]1Cc2cc(F)ccc2O1 172758993 MHAZBAUJORLEFG-ZDUSSCGKSA-N 275.283 1.810 0 50 CDAA O=C(NC1CCCC1)[C@@H]1CCc2nnc(C3CC3)n2C1 368339095 HUAQVWDMXRALNR-LLVKDONJSA-N 274.368 1.777 0 50 CDAA Cc1cnc(CNC(=O)c2cc(C)nc(C)c2)cn1 216204603 ZUUPZNKRFGQGQE-UHFFFAOYSA-N 256.309 1.727 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]1CCNC1 237251877 OICPMNVTQFSUFF-LLVKDONJSA-N 272.352 1.141 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CCCN2)C[C@H](c2ccc(F)cc2)O1 261833451 YZBQTAMYLUTYLD-KCPJHIHWSA-N 292.354 1.866 0 50 CDAA C[C@@H]1CN(C(=O)CCCN)[C@H](c2ccccc2)CO1 237405340 ISSDDHMRDBNDLO-OCCSQVGLSA-N 262.353 1.714 0 50 CDAA O=S(=O)(O)Cc1ccc(Br)cc1 32210235 CZHYAAVLICZNRV-UHFFFAOYSA-N 251.101 1.837 0 50 CDAA C[C@@]1(CN)CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 262077101 SWNYJUSSQHEUGL-KRWDZBQOSA-N 298.390 1.612 0 50 CDAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2C(=O)O)n1 262171482 VFGLDDDKRKCRFR-RYUDHWBXSA-N 279.340 1.527 0 50 CDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)C1CC=CC1 238083005 CIEKLXROWWFNPN-LBPRGKRZSA-N 267.325 1.435 0 50 CDAA CC(C)[C@]1(CO)CCN(c2ncnc(N)c2Cl)C1 377985503 LVULAHXEPYYBCJ-GFCCVEGCSA-N 270.764 1.557 0 50 CDAA CCOCc1ccccc1CNC(=O)[C@H]1CC(F)(F)CN1 263081182 XMPXFFFPJFRWDZ-CYBMUJFWSA-N 298.333 1.837 0 50 CDAA CO[C@H](CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C(=O)O 263080377 KYURGHPFDVQAGT-MKPLZMMCSA-N 299.273 1.284 0 50 CDAA CNC(=O)c1cccc(CNC(=O)[C@@H](C)SC)c1 43030896 JBNAXIHEKXJCLF-SECBINFHSA-N 266.366 1.414 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@@H]2CC(=O)O)O1 263333059 VLANOLYFLOXLRI-GRYCIOLGSA-N 285.340 1.036 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CCCO1 220305568 VPWBBOUUFWUICA-CQSZACIVSA-N 271.320 1.767 0 50 CDAA Cc1cc(CO)oc1C(=O)N[C@@H]1CCC[C@H]1N(C)C 613664871 IFLNBTJCVWVSFD-VXGBXAGGSA-N 266.341 1.293 0 50 CDAA C[C@@H](C(=O)NCc1csc(N(C)C)n1)n1cccn1 426477219 MDPMFWLUQZEWIB-VIFPVBQESA-N 279.369 1.283 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)CCc1ccsc1 220393899 UMTYBXQRGHUWSQ-MXYBEHONSA-N 295.404 1.847 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CC[C@@H](C(=O)O)C1 178260663 LRMHQDRYYAGAJD-LLVKDONJSA-N 279.340 1.330 0 50 CDAA CC(C)n1cnnc1CCNC(=O)c1cc(C(F)F)[nH]n1 426618121 LBLPBNNYXAIXQS-UHFFFAOYSA-N 298.297 1.492 0 50 CDAA CSCC(=O)N1CCC[C@H](c2nccn2C)C1 82091218 GHBWCCCTBFEBGQ-JTQLQIEISA-N 253.371 1.489 0 50 CDAA O=C(O)CNC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 426496685 MMYBEGAGAGSPJI-SNVBAGLBSA-N 282.727 1.924 0 50 CDAA O=C(C1CCC1)N1CCC(N2C[C@@H]3CCN[C@@H]3C2)CC1 426640365 GOVQYXJMHRANEC-DZGCQCFKSA-N 277.412 1.071 0 50 CDAA CNCc1nc([C@H]2CCOC2)nn1-c1nc2ccccc2[nH]1 97294942 LDMRVHQNPKRUPE-JTQLQIEISA-N 298.350 1.367 0 50 CDAA Cc1ccc2nc(C)c(C(=O)NCCc3cnn[nH]3)n2c1 426387255 JSPXDWAVMJDJFW-UHFFFAOYSA-N 284.323 1.042 0 50 CDAA Cc1noc([C@H](C)N(C)C(=O)c2c(Cl)c(C)nn2C)n1 426511738 RNOKUTIOBGYBOE-ZETCQYMHSA-N 297.746 1.907 0 50 CDAA COCC1(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 239761290 CJLDBWOCHVAQLJ-QWRGUYRKSA-N 259.371 1.227 0 50 CDAA O=C([C@@H]1Cc2ccccc2O1)N1CCc2[nH]cnc2C1 96151556 HDZPUPYMNPBTHA-AWEZNQCLSA-N 269.304 1.298 0 50 CDAA CC(C)N1CC[C@@H](CN2C(=O)COc3cccnc32)C1 95362825 CBYBBJVSHWDHMM-GFCCVEGCSA-N 275.352 1.537 0 50 CDAA CN(C)Cc1ccc(-c2nc(-c3cccnn3)no2)o1 91459936 IJPWMHZLUZEXAS-UHFFFAOYSA-N 271.280 1.848 0 50 CDAA CCCn1cc(C(=O)NCCCn2ccnc2)c(C)n1 91269938 ISZBHBWFUNGDII-UHFFFAOYSA-N 275.356 1.618 0 50 CDAA Cc1cccc2nc(C(=O)N3CCc4[nH]cnc4C3)c(F)n12 96132640 VSIJWQBCPWSKFQ-UHFFFAOYSA-N 299.309 1.703 0 50 CDAA CCc1cnc(NCCCN2CCC[C@@H](O)C2)nc1 95371589 UJNSCMDZIVLWCE-CYBMUJFWSA-N 264.373 1.298 0 50 CDAA CSc1ccccc1[C@@H](C(=O)O)N1CCN(C)CC1 95363442 CEVAPYXYPRTVOW-ZDUSSCGKSA-N 280.393 1.782 0 50 CDAA O=S(=O)(c1ccccc1)n1cnc(Br)c1 95100119 GAZKVPAWDXCGSA-UHFFFAOYSA-N 287.138 1.883 0 50 CDAA CCc1nc(N)nc(NCc2c(C)n[nH]c2C)c1C 91907374 SMCMPZHTBXGUFT-UHFFFAOYSA-N 260.345 1.882 0 50 CDAA Cc1sc(-n2cnnn2)c(C(=O)Nc2cc[nH]n2)c1C 524732587 CZWKFPASNMMIFP-UHFFFAOYSA-N 289.324 1.316 0 50 CDAA C[C@@H](NCc1ccc(-n2cncn2)cc1)c1nccn1C 182836379 WCKXBMXGXIRCMN-GFCCVEGCSA-N 282.351 1.852 0 50 CDAA Cc1cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c(C)o1 183289427 FEKQAFAWXMXEGZ-JTQLQIEISA-N 296.352 1.301 0 50 CDAA Cc1sccc1C(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 298933046 MXFVWMWHVBFMGF-SECBINFHSA-N 292.364 1.488 0 50 CDAA O=C(Nc1ccncc1F)N[C@H]1CCCOCC1 184197249 HHWSDLMAXDLXNB-VIFPVBQESA-N 253.277 1.911 0 50 CDAA CC(C)[C@H](CO)NC(=O)c1[nH]nc2c1CCCCC2 252484980 GLHFAETZEBASSI-LBPRGKRZSA-N 265.357 1.425 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)c1cccc2c1OCO2 299752814 VOMLENOUDKBBHT-SNVBAGLBSA-N 277.276 1.495 0 50 CDAA Cc1cc(-c2nccc(N3CCC(O)CC3)n2)n[nH]1 534587904 YXXIHXJWNBZUDN-UHFFFAOYSA-N 259.313 1.136 0 50 CDAA O=C(c1nnn2c1CO[C@H](c1ccccc1)C2)N1CCCC1 263616445 ISBCAIZJLFTMOG-AWEZNQCLSA-N 298.346 1.786 0 50 CDAA NC(=O)c1cccc(NCC2(CN3CCCC3)CC2)n1 534653661 MTQYLWCZFLFYDC-UHFFFAOYSA-N 274.368 1.468 0 50 CDAA CC[C@@H](NC(=O)CCc1nncn1C)c1nccs1 534673801 CYLAKLXYOWEIOQ-SECBINFHSA-N 279.369 1.472 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1cccc2c1OCCO2 636076728 HFVNUQJSOBFYJA-UHFFFAOYSA-N 287.319 1.762 0 50 CDAA CCc1nnc(CNC(=O)C[C@@H](C)n2ccnc2C)s1 299778569 PSSDEZIZWJTFMB-SECBINFHSA-N 293.396 1.873 0 50 CDAA CC(C)CCN1CCN(C2CCOCC2)C[C@H]1CCO 299872903 CZDTVCJXOSLUGI-MRXNPFEDSA-N 284.444 1.580 0 50 CDAA COCCCN1CC[C@H](CNC(=O)Cc2cc(C)no2)C1 299778373 RUDUGWPLMIEXCK-CYBMUJFWSA-N 295.383 1.000 0 50 CDAA CCN1CCCC[C@H]1CN=c1nc(OC)cc(OC)[nH]1 574474771 XWGZYQHEOCQHGA-NSHDSACASA-N 280.372 1.202 0 50 CDAA COCCOCC1(O)CCN(C(=O)OC(C)(C)C)CC1 725255487 VLSZOEIODYHXCI-UHFFFAOYSA-N 289.372 1.411 0 50 CDAA CCC[C@H]1COCCN1C(=O)CN1CCCCCC1 822812320 YICBAGCQNBRFEE-AWEZNQCLSA-N 268.401 1.890 0 50 CDAA COc1ccc2ncn([C@H](C)c3n[nH]c(C)n3)c(=O)c2c1 584884205 GXVAXZUXOQCRBC-MRVPVSSYSA-N 285.307 1.441 0 50 CDAA CCC[C@H](C(=O)NCCc1ncnn1C)n1cccc1 584887212 APZIEHRNYQFWEU-GFCCVEGCSA-N 275.356 1.317 0 50 CDAA CC[C@H](C)CC(=O)NS(=O)(=O)c1cnc(Cl)n1C 585135817 DDUFIZJWHNNXQI-ZETCQYMHSA-N 293.776 1.315 0 50 CDAA N=c1[nH]nc(CNC2CCN(Cc3ccco3)CC2)s1 584886629 HUGUNSGPMVUFSG-UHFFFAOYSA-N 293.396 1.298 0 50 CDAA Cc1ncnc(C)c1C(=O)NCCn1cnc(C)c1C 670453675 UGQQJHKXPUXZNM-UHFFFAOYSA-N 273.340 1.337 0 50 CDAA C[C@H]1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 268505790 BKFBXRZXHWRXNV-LBPRGKRZSA-N 270.336 1.814 0 50 CDAA CC1(C)CC(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)C1 685941777 IKYYVAFRDHSPLV-NWDGAFQWSA-N 279.340 1.108 0 50 CDAA O=C(NC[C@H]1CCOC1)c1cccc2nc(O)[nH]c12 1346632458 FYHWHSBMTZMOCP-MRVPVSSYSA-N 261.281 1.035 0 50 CDAA C[C@@H]1CN[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[C@@H](N)C1 757209117 FYDKCBZQGYYGEM-OGBGREFGSA-N 265.323 1.242 0 50 CDAA O=C(Nc1ccc(F)cc1Cl)N[C@H]1CNCC[C@@H]1O 1565514538 TXIWBHMVLOVDFN-QWRGUYRKSA-N 287.722 1.323 0 50 CDAA COc1ccc(F)c(CN(C)[C@@H](C)CC(N)=O)c1 952864688 LACWZNRKEPBZIU-VIFPVBQESA-N 254.305 1.530 0 50 CDAA Cc1cc(N)n(CC(=O)N2CCc3sccc3C2)n1 952976876 PISOBXDEMLNHFC-UHFFFAOYSA-N 276.365 1.420 0 50 CDAA Cc1cnc(CNC(=O)/C=C/c2cc(CO)cs2)cn1 952963814 JEOOVFACEOVPOC-NSCUHMNNSA-N 289.360 1.668 0 50 CDAA CO[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccccn2)C12CCC2 515421171 PBOSVJNJGXYLJP-NWDGAFQWSA-N 296.392 1.660 0 50 CDAA O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@H](CO)[C@@H](O)C1 215505104 IBOZZKWIIORBLK-OTYXRUKQSA-N 292.310 1.122 0 50 CDAA COC(=O)[C@H]1CCC[C@H]1C(=O)OCCOC(C)C 170592962 AKNLODXMAIBKEI-WDEREUQCSA-N 258.314 1.544 0 50 CDAA CC[S@@](=O)CC(=O)N[C@H](C)c1ccc(OC)c(F)c1 170617878 ZNFFNQKTCJLNKX-AYLIAGHASA-N 287.356 1.780 0 50 CDAA Cc1nnsc1C(=O)Nc1cc(C2CCOCC2)[nH]n1 170606251 VZPQUXUXJCHGCI-UHFFFAOYSA-N 293.352 1.716 0 50 CDAA CCO[C@H]1C[C@](CO)(NC(=O)Cc2ccsc2)C1(C)C 188883417 GHHNSXAPEHRVCC-SWLSCSKDSA-N 297.420 1.973 0 50 CDAA CC[C@]1(C)CN(C(=O)Nc2cc(OC)ncn2)CCO1 190130794 NBTPTXREKLDFHG-CYBMUJFWSA-N 280.328 1.518 0 50 CDAA CC(C)(C(=O)Nc1ncn(CC(=O)O)n1)c1ccccc1 647784284 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WGBOODFWFLTJCP-AORQRIRUSA-N 293.294 1.541 0 50 CDAA C[C@@H]1CCCN(C(=O)CN(C)Cc2ccccc2)[C@H]1CN 156972332 LEGIVNPTWOVCII-ZBFHGGJFSA-N 289.423 1.704 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)/C=C/c1cncc(F)c1 238076778 KZPZVYMURAAEDW-PGLGOXFNSA-N 264.256 1.310 0 50 CDAA CC(=O)c1c(C)cccc1NC(=O)CN1CCCC1=O 157718391 YKIBZZRDAPGZQH-UHFFFAOYSA-N 274.320 1.759 0 50 CDAA Cc1ncc(C(=O)N2CC([C@H]3CCOC3)C2)c(C2CC2)n1 374111648 DAMUQQVXZQTJAL-LBPRGKRZSA-N 287.363 1.771 0 50 CDAA Cc1cc(CNC(=O)N2CCC(c3cn[nH]c3)CC2)on1 375014939 VIJDCUHYTOFCDC-UHFFFAOYSA-N 289.339 1.795 0 50 CDAA CCc1nsc(N2CCC[C@H](c3nc(=N)[nH][nH]3)C2)n1 521398355 AFHBVCOAUJMQGW-ZETCQYMHSA-N 279.373 1.015 0 50 CDAA COC(=O)CCCN1C[C@@H](O)C[C@H]1C1CCCCC1 241277608 LHOMIELMWPRDIO-KBPBESRZSA-N 269.385 1.955 0 50 CDAA Cc1nc2nc(C)c3c(=O)n(C4CC4)ccc3n2n1 72117807 PCVLOYYEGKSFCG-UHFFFAOYSA-N 255.281 1.391 0 50 CDAA COc1cc(C(=O)N[C@H](C)[C@H](C)C(=O)O)ccc1C 132941511 KIDWGMDIWRUWGP-VHSXEESVSA-N 265.309 1.843 0 50 CDAA CNS(=O)(=O)c1cc(Br)c(C)cc1C 41105616 CNMVQBLZTJKDHB-UHFFFAOYSA-N 278.171 1.974 0 50 CDAA COCCC(=O)NCc1nc2ccc(F)cc2[nH]1 80871984 RUCWXFVBKLUQJT-UHFFFAOYSA-N 251.261 1.355 0 50 CDAA CC(C)C[C@H](O)C(=O)NCCn1cc(Cl)cn1 223673977 TUHQLZOIXAVFFI-JTQLQIEISA-N 259.737 1.060 0 50 CDAA CC(C)(C)c1ncsc1C(=O)N1CC[C@@H](CN)C1 178544225 JPIHMOOSGGCUBS-VIFPVBQESA-N 267.398 1.861 0 50 CDAA CCc1nn(C)cc1C(=O)Nc1ccc2c(c1)CNCC2 227555210 VYAKQCMFPGSXCE-UHFFFAOYSA-N 284.363 1.881 0 50 CDAA CCOc1cc(C)ccc1S(=O)(=O)n1cccn1 41096035 KFTQDUVZKCWTRD-UHFFFAOYSA-N 266.322 1.827 0 50 CDAA O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCOCC1 49967682 BUXKEGUDXPRVLJ-LBPRGKRZSA-N 280.368 1.026 0 50 CDAA COc1ccc(F)c(F)c1C(=O)N[C@H](C)Cn1cncn1 220023670 LAXUNPNCRYMLOA-MRVPVSSYSA-N 296.277 1.383 0 50 CDAA O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cnnc(O)c1 614371847 FUBSCNLRLHWHQT-HOMQSWHASA-N 287.294 1.997 0 50 CDAA O=C(NCc1cc2n(n1)CCNC2)c1ccc(Cl)o1 97785244 QDNHCIBHYZLHBJ-UHFFFAOYSA-N 280.715 1.163 0 50 CDAA Cc1nc2ccccn2c1CC(=O)N1CCCO[C@H](C)C1 426406173 OAGYKHRVMNNZLS-GFCCVEGCSA-N 287.363 1.823 0 50 CDAA COc1nccnc1N1CCCN(c2ccnc(C)c2)CC1 96132459 AIPAOIIIDNEJOU-UHFFFAOYSA-N 299.378 1.905 0 50 CDAA CCc1nnsc1C(=O)N1C[C@@H](CO)c2ccccc21 293869590 IWGHMRKLECGZSH-VIFPVBQESA-N 289.360 1.837 0 50 CDAA O=c1c2ccccc2cnn1Cc1cncn1C1CC1 95371678 AIRYMUPOBORJBC-UHFFFAOYSA-N 266.304 1.976 0 50 CDAA CC(C)c1cncnc1N1CC[C@@]2(O)CCNC[C@H]2C1 95387639 JWQZNAHTDGOBPU-WFASDCNBSA-N 276.384 1.151 0 50 CDAA CN(CC(=O)O)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 294430132 PLEYZBIXJHLDFM-UHFFFAOYSA-N 299.710 1.197 0 50 CDAA CC1(C)CNC(=O)c2nc([C@H]3CCCOC3)[nH]c2C1 95388223 WBUVOTPFWYNHJM-VIFPVBQESA-N 263.341 1.616 0 50 CDAA Cc1nn(C)c2nc(N3CCC[C@@H](CO)C3)sc12 95501963 MBBHNEQVXQURBM-SECBINFHSA-N 266.370 1.547 0 50 CDAA C[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1c1ccccc1)[C@@H]42 244816929 SRGKPAIYFCEGQE-YMZOLZOISA-N 271.316 1.391 0 50 CDAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c[nH]nn1 183773227 WJQRTMAWFVSPBP-MRVPVSSYSA-N 276.344 1.556 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@H]2CC23CCOCC3)[C@H]1CN 299739629 QSDXMSJZSSORFA-UPJWGTAASA-N 266.385 1.389 0 50 CDAA CCO[C@H](C)c1nc(C)c(C(=O)N(C)[C@@H]2CCNC2)s1 299740025 USSVKWJDKLVXGE-GHMZBOCLSA-N 297.424 1.983 0 50 CDAA CCOCC(=O)NC[C@H]1CCN(C2CCCCC2)C1 534655004 XRCZRYVLLVSMIJ-CYBMUJFWSA-N 268.401 1.794 0 50 CDAA CCC[C@H]1CCCN1Cc1cnc(N(C)CC(=O)O)nc1 534662607 MXIAGGZTRGPDJA-ZDUSSCGKSA-N 292.383 1.762 0 50 CDAA O=C(NCC[C@H]1CCOC1)c1cncc(Cl)c1 450572298 UAQAMOKTGBDHSK-VIFPVBQESA-N 254.717 1.891 0 50 CDAA CCS(=O)(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 823411967 KZTNBJLQVUZHPB-UHFFFAOYSA-N 279.365 1.858 0 50 CDAA CN1CCCNC(=O)C12CCN(C[C@@H]1CC=CCC1)CC2 670439030 GGDUQUGUJFMEJN-OAHLLOKOSA-N 291.439 1.629 0 50 CDAA CC(C)SCC(=O)N1CCN(CCCCO)CC1 584895082 KPXVTMKFNSVKAX-UHFFFAOYSA-N 274.430 1.045 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)C2CCC2)C1 958528660 YMVHQUHSTJPBGY-DOMZBBRYSA-N 284.400 1.876 0 50 CDAA C[C@H](CN1CCc2ccccc2C1)NCc1ncc[nH]1 952989593 WLGGEECVGJUUGF-CYBMUJFWSA-N 270.380 1.946 0 50 CDAA C[C@H](O)c1nc2ccc(NC(=O)C3CCOCC3)cc2[nH]1 952868570 ALGSOJJPWZWHJK-VIFPVBQESA-N 289.335 1.981 0 50 CDAA CCc1ncnc(N[C@H](C)CO[C@H]2CCOC2)c1F 271029005 GVDUEVDUIFBXTE-ZJUUUORDSA-N 269.320 1.784 0 50 CDAA CC(C)(C)n1cnc(C(=O)N[C@@H](CC2CC2)C(=O)O)n1 515301945 FKEBEHVXZUQMLZ-VIFPVBQESA-N 280.328 1.016 0 50 CDAA C[C@H](NC(=O)Cn1cc(F)ccc1=O)c1cccs1 170606290 MPMCFSZKNOFKAU-VIFPVBQESA-N 280.324 1.926 0 50 CDAA CCN([C@@H](C)C(=O)O)S(=O)(=O)c1cc(C)ccc1F 707943191 ZCJMAIUAHZFLJF-VIFPVBQESA-N 289.328 1.618 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cc(F)c[nH]2)C1 644121302 FYQGTJIEPDDQKU-KOLCDFICSA-N 278.287 1.479 0 50 CDAA C[C@@H]1CN(c2ncccc2S(C)(=O)=O)CCCO1 192097979 BAJXALLYZLPPJL-SNVBAGLBSA-N 270.354 1.100 0 50 CDAA CC(=O)Nc1cccc(Cn2nc(C)sc2=O)c1 192458697 MRKBBUUNNMXOLF-UHFFFAOYSA-N 263.322 1.620 0 50 CDAA CCO[C@@H]1C[C@](NC(=O)c2ccncc2)(C(=O)O)C1(C)C 193030794 YYAZPESRBDGLPK-ABAIWWIYSA-N 292.335 1.470 0 50 CDAA Cc1ccncc1CNC(=O)N1CC(F)(F)C[C@H]1CO 656187703 CXOYXIMBKNJHRV-NSHDSACASA-N 285.294 1.302 0 50 CDAA Cc1cc(C(=O)N(CCC(=O)O)CC2CC2)nn1C 675971061 BXQUQVRBTSFLTB-UHFFFAOYSA-N 265.313 1.055 0 50 CDAA CC(C)[C@@H](C(=O)N1CCc2c[nH]nc2C1)N1CCCCC1 676829375 JVRZIOMXXYKWMH-HNNXBMFYSA-N 290.411 1.805 0 50 CDAA CNC1CC(C(=O)Nc2nc3c(s2)CCCC3)C1 693609902 FUODYLGNUGMLQJ-UHFFFAOYSA-N 265.382 1.958 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C1CC1 585082474 XYOVSNXMQIDCKF-ZDUSSCGKSA-N 299.378 1.903 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](CCO)CC1 585114265 FXCPIJMMCKJKDP-CYBMUJFWSA-N 279.384 1.580 0 50 CDAA CN1CCCC[C@H](C(=O)N2CC[C@@H](O)CC(C)(C)C2)C1=O 585131732 FDFPNAXTIUCVNN-OLZOCXBDSA-N 296.411 1.254 0 50 CDAA COc1cccc(-c2nc([C@H]3CCOC3)no2)c1O 87810085 UCZNAUDBOZLFEC-QMMMGPOBSA-N 262.265 1.955 0 50 CDAA Cc1cnc(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)s1 1615558334 SLAZFAZQESPWPS-JTQLQIEISA-N 295.364 1.266 0 50 CDAA CCn1nc(C)c(CNC[C@H](CO)C2CCC2)n1 1615571860 DVWJZIFBGCJKCP-GFCCVEGCSA-N 252.362 1.105 0 50 CDAA CN(C)c1nc(NCc2cccc3nsnc23)n[nH]1 1662414217 NPOLXFSVLYNAKD-UHFFFAOYSA-N 275.341 1.488 0 50 CDAA CCN(Cc1nc(C(C)C)no1)C(=O)NCCC(=O)O 1506418280 PMVSKZLMVSIPGY-UHFFFAOYSA-N 284.316 1.199 0 50 CDAA CN(C)c1ccnc(NCCC2(O)CCCC2)n1 1506422615 DOJLGKOYAPCQQW-UHFFFAOYSA-N 250.346 1.650 0 50 CDAA CCc1ccc(CN(C)Cc2ncnn2CC)nc1 215755209 NVQCVNYAICFJFJ-UHFFFAOYSA-N 259.357 1.887 0 50 CDAA COc1cc(-c2cnc3c(c2)CCN3C)c(=N)[nH]c1C 1875250776 GNWBNVQITUEHHN-UHFFFAOYSA-N 270.336 1.865 0 50 CDAA O=C(C1CCCCC1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529133834 CPEVFDVSGMQIKM-UKRRQHHQSA-N 289.379 1.419 0 50 CDAA CCC[C@@H](NC(C)=O)C(=O)Nc1cnn(C(C)C)c1 1529151594 KGMSXKDCEZPPNU-GFCCVEGCSA-N 266.345 1.707 0 50 CDAA Cc1ccc(F)c(CCNC(=O)N2CCN(C)CC2)c1 335147326 RRGRPSMRVLZJQH-UHFFFAOYSA-N 279.359 1.634 0 50 CDAA C[C@@H](C(=O)O)N(C)S(=O)(=O)c1sccc1Cl 263261629 WKELTDHLWUTTLX-YFKPBYRVSA-N 283.758 1.495 0 50 CDAA O=C(CCc1cnccn1)N1CCC(C2(O)CC2)CC1 1645904364 PYQSFCNURWWFHB-UHFFFAOYSA-N 275.352 1.173 0 50 CDAA O=C(O)c1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 237994212 MLMNPSJPFYTJMF-STQMWFEESA-N 277.320 1.666 0 50 CDAA O=S(=O)(Cc1ccccc1)NCCN1CCCCC1 4750029 HXIDUCICCQNALN-UHFFFAOYSA-N 282.409 1.592 0 50 CDAA COc1ccc(NC(=O)N[C@@H]2CCOC2)cc1OC 159292105 CLRJNRLDDBEREQ-SNVBAGLBSA-N 266.297 1.614 0 50 CDAA c1cnc2c(c1)CN([C@H]1CCOC3(CCNCC3)C1)CC2 1857680824 VONMVPPGSPPGOY-HNNXBMFYSA-N 287.407 1.741 0 50 CDAA CCc1csc(CNC(=O)[C@H]2CC[C@H](N)[C@@H](OC)C2)n1 1857728124 OPNJWGKBWHKBEG-DLOVCJGASA-N 297.424 1.464 0 50 CDAA O=S(=O)(c1ccc(Br)cc1)N1CCC1 4369107 MDIDQNAFUFFXTB-UHFFFAOYSA-N 276.155 1.844 0 50 CDAA in-vitro Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCNC2)c1C 126250959 OYWPARVOGYNFNA-ZDUSSCGKSA-N 284.363 1.581 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1nc(C(C)(C)C)no1 643879436 SDXAKQCHKYHGOH-CQSZACIVSA-N 297.355 1.433 0 50 CDAA C[C@H]1CN(C(C)(C)CNCc2cncn2C)C[C@H](C)O1 237661088 CDZPQQZFUBFPOO-STQMWFEESA-N 280.416 1.398 0 50 CDAA Cc1ccc2cc(C(=O)N3CCO[C@H](C(=O)O)C3)[nH]c2c1 237888721 UJBIPNGOCXQYOT-ZDUSSCGKSA-N 288.303 1.402 0 50 CDAA O=S(=O)(N1CCCC1)N1CCCc2ccccc2CC1 336298643 JOACZDOUJWDZCF-UHFFFAOYSA-N 294.420 1.818 0 50 CDAA c1cc(N2CCCC2)nc(N[C@@H]2C[C@H]3CC[C@H]2O3)n1 253370568 SNYXZIJVHZGCAC-IJLUTSLNSA-N 260.341 1.809 0 50 CDAA FC(F)(F)Cc1noc(COc2cncnc2)n1 901707583 XOSWOHPGRSKGBC-UHFFFAOYSA-N 260.175 1.543 0 50 CDAA Cn1nccc1NC(=O)[C@H]1NCCOc2ccccc21 912269258 CNAUABXZWAXGLT-ZDUSSCGKSA-N 272.308 1.082 0 50 CDAA O[C@H](CN[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc(F)cn1 819162247 GLKLKZKXPWSUCZ-CTHBEMJXSA-N 280.343 1.801 0 50 CDAA CCNc1cc(CNC(=O)Nc2ccn(C)n2)ccn1 930074616 CUADAXIUKSUGBA-UHFFFAOYSA-N 274.328 1.569 0 50 CDAA Cc1ncc(CN2CC(=O)NC[C@@H]2c2ccccc2)o1 933324574 YOXWMLAETYHWFD-CQSZACIVSA-N 271.320 1.656 0 50 CDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)c2ncc(F)cn2)n[nH]1 952890166 OAQMMWQZPFEUCF-GHMZBOCLSA-N 292.318 1.051 0 50 CDAA C[C@@H](NC(=O)c1ncccc1O)c1cnn(C2CC2)c1 1875278748 BLRCJDDGSPGWSQ-SECBINFHSA-N 272.308 1.810 0 50 CDAA CC[C@H]1[C@H](c2ccc(C)cc2)CCN1c1nc(=N)[nH]c(=N)[nH]1 1875268499 BVBJMLUZPAAXGS-STQMWFEESA-N 298.394 1.778 0 50 CDAA O=C(NO[C@@H]1CCOC1)[C@H]1CCCN1c1ccccc1 1875263622 LHULJVRIXDJGON-ZIAGYGMSSA-N 276.336 1.492 0 50 CDAA O=C(C[C@@H](O)COCc1ccccc1)NC1CC(F)C1 1875274817 GVXVNVFJADGWMJ-JXQTWKCFSA-N 281.327 1.571 0 50 CDAA CC(C)(Oc1cccc(Cl)c1)C(=O)NS(C)(=O)=O 1875391060 PQQBFEUQHKGKKW-UHFFFAOYSA-N 291.756 1.573 0 50 CDAA CN(C)C/C=C/C(=O)N(Cc1cncs1)C1CC1 1875379794 WYKQEGKNTGSHRU-ONEGZZNKSA-N 265.382 1.752 0 50 CDAA Cc1ccccc1NC(=O)N1CCN[C@H](c2cn[nH]c2)C1 1875321144 WDOGAVOZIWCOKU-AWEZNQCLSA-N 285.351 1.897 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCn2cncn2)C1 888102559 APOYOXMRTJHVKS-OLZOCXBDSA-N 290.371 1.080 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)[C@@H]1CN 237715291 ROKNHPTWVGDERT-WCQYABFASA-N 276.384 1.347 0 50 CDAA NC(=O)[C@]1(O)CCCN(Cc2cccc(Cl)c2F)C1 284788625 IUXCGVAKQXSFDK-ZDUSSCGKSA-N 286.734 1.291 0 50 CDAA Cc1nc(CN(C)Cc2cccc(C(=O)O)n2)no1 97243670 NITAPZZPHBGMCA-UHFFFAOYSA-N 262.269 1.103 0 50 CDAA CC(C)c1nc(CN(C)C(=O)C[C@H]2CNCCO2)cs1 534647916 LVGUVVACHWUSKX-LBPRGKRZSA-N 297.424 1.603 0 50 CDAA COC(=O)[C@H](C)Sc1cnc(OC)c(OC)n1 2069806585 KNKJGEYBMFWCGK-LURJTMIESA-N 258.299 1.147 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCNCC2)[C@H](O)C1 1083104322 CWDCVNPQGKGMRY-LLVKDONJSA-N 270.373 1.358 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C)[C@@H](N)C2)cc(NC2CC2)n1 2325795130 HUNHNWVUCWKSIT-RNCFNFMXSA-N 274.368 1.384 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(C)n1 110745267 XKKYMEWDJUYFFD-UHFFFAOYSA-N 274.280 1.460 0 50 CDAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccccc1O 42297 UAEJHGCEFAFLIJ-MRXNPFEDSA-N 283.283 1.805 0 50 CDAA CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N 63762 CXLVWGJEYPJEAG-UHFFFAOYSA-N 261.285 1.038 0 50 CDAA COC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 136431 PRKKQIFQEAKSAH-UHFFFAOYSA-N 261.281 1.663 0 50 CDAA in-vitro CCc1noc(CN2CCC[C@@]23CCCN(C)C3=O)n1 2356155568 ITZOPWXYRGVNCK-CQSZACIVSA-N 278.356 1.219 0 50 CDAA CC(C)[C@@H](CO)N=c1[nH]oc(-c2ccccc2)c1C(=O)O 2356156274 ZPTSSBQFKQCZHY-LLVKDONJSA-N 290.319 1.891 0 50 CDAA Cc1csc(NC(=O)CSc2cn[nH]n2)n1 7344175 BEAYPAOJSHSONB-UHFFFAOYSA-N 255.328 1.300 0 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IJAMZBBRPPFPKS-NSHDSACASA-N 260.341 1.735 0 50 CDAA CCCOCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 144481919 CRQVXXMHHLRBGJ-CQSZACIVSA-N 290.407 1.976 0 50 CDAA C[C@@H]1CCc2c(sc3nc(-c4nnc[nH]4)[nH]c(=O)c23)C1 120864212 LLRWZSXUDATIDS-ZCFIWIBFSA-N 287.348 1.895 0 50 CDAA CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)c(N)c1 33376817 QGCYNFUSJJMMCL-UHFFFAOYSA-N 291.395 1.837 0 50 CDAA CNc1ccnc(N(C)C[C@H]2CCCN(CCOC)C2)n1 65396812 JYUKITHCNMJTRX-CYBMUJFWSA-N 293.415 1.313 0 50 CDAA COC(=O)c1ccc2nccn2c1Br 307755743 FJFPQAWPVYYBDX-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2cncc(C)c2)C1 331880813 WGVQMRLSWKRLRI-KGLIPLIRSA-N 287.367 1.481 0 50 CDAA CCCCN(C)C(=O)c1cc(CN2CCC(O)CC2)on1 67847097 ASDFDTZIUBPBFQ-UHFFFAOYSA-N 295.383 1.503 0 50 CDAA C[C@H](C(=O)O)C(=O)N(C)[C@@H](C)Cc1cccs1 122215838 NHTYTPWANKJNLH-IUCAKERBSA-N 255.339 1.858 0 50 CDAA CN(Cc1cnccn1)C(=O)[C@H]1CC(=O)Nc2ccccc21 172165836 PIQOROXSIDZPIY-ZDUSSCGKSA-N 296.330 1.561 0 50 CDAA CCOC(=O)CCCCN1CC(=O)[C@@H]2CCCN2C1=O 218899006 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1.957 0 50 CDAA CC(C)OCCCNC(=O)C(=O)Nc1cccc(F)c1 4699414 HWRVLWBGCKHOJZ-UHFFFAOYSA-N 282.315 1.696 0 50 CDAA CCOCCc1nnc(NC(=O)[C@@H]2CCCO2)s1 2876978 FHGCKHIDNSMYDE-QMMMGPOBSA-N 271.342 1.235 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1 2481589 DTNZCBVILZRQSE-LLVKDONJSA-N 295.795 1.879 0 50 CDAA COCCNC(=O)Nc1ccc2nsnc2c1 2483149 WGRGAOJMLBFOQK-UHFFFAOYSA-N 252.299 1.459 0 50 CDAA Cn1c(SCC(N)=O)nnc1-c1ccc(F)cc1 2523717 LAUXKNFZMMRFOD-UHFFFAOYSA-N 266.301 1.199 0 50 CDAA Cc1ccc(-n2nnc(C(=O)N3CCOCC3)c2C)cc1 4483166 ZRPNWCYYBLLXBN-UHFFFAOYSA-N 286.335 1.357 0 50 CDAA CN1CCO[C@H](Cn2ccnc2-c2nc3ccccc3[nH]2)C1 1857680127 GXXHSKGGDOLDCC-LBPRGKRZSA-N 297.362 1.757 0 50 CDAA Cc1cc(-c2nccn2-c2cnn(CCCC(N)=O)c2)n[nH]1 1857681716 CWRJDEGTBFRMOC-UHFFFAOYSA-N 299.338 1.033 0 50 CDAA Cc1cc(-c2noc(CN3CCN[C@@H](C)C3)n2)ccc1F 420288050 IMTHNILZKAPQQL-NSHDSACASA-N 290.342 1.978 0 50 CDAA Cc1nn(C)cc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 224681288 ZVQGPHPLYDASRC-DRZSPHRISA-N 291.351 1.586 0 50 CDAA Cc1cccc(NC(=O)C(=O)N2CCOCC[C@H]2C)c1C 225495047 NUUFCVKZUVQAJH-GFCCVEGCSA-N 290.363 1.879 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@H](N)C[C@@H]1C 237033643 GIRDVVNCGLQDLK-JSGCOSHPSA-N 276.380 1.966 0 50 CDAA COC(=O)c1cccc(N(C)C[C@@H]2CCC[C@H]2O)n1 769913801 RVVYDANLDDXJAO-CMPLNLGQSA-N 264.325 1.465 0 50 CDAA CC(C)OC[C@@H](O)CN1CCN(c2ccccc2)CC1 20000042 DMKUAYGWDNCIOT-INIZCTEOSA-N 278.396 1.595 0 50 CDAA C[C@H](CCC1CC1)NC(=O)c1cn(C2CCNCC2)nn1 398138352 NGQYBFQUQYWVFW-LLVKDONJSA-N 291.399 1.511 0 50 CDAA Cn1cncc1-c1noc(C23CCCN(CCC2)C3)n1 901986582 MHPPJEWMUZERGP-UHFFFAOYSA-N 273.340 1.598 0 50 CDAA CC(=O)N1CCO[C@H](c2nc(Cc3cccs3)no2)C1 901908360 BBLMEHNUZINOLP-NSHDSACASA-N 293.348 1.642 0 50 CDAA CC(=O)N1CCC[C@@H]1C(=O)Nc1nccnc1C(C)C 906425388 HKTFYFBECZDFSO-LLVKDONJSA-N 276.340 1.549 0 50 CDAA O=C1CCC(CC(=O)N=c2nc(C3CC3)[nH]s2)CC1 1852363763 NANBVNIQCJQFTH-UHFFFAOYSA-N 279.365 1.925 0 50 CDAA CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)O)N1 1857780308 GVGGVTYMQQIHAX-IUCAKERBSA-N 258.318 1.106 0 50 CDAA CC(C)c1ccc(CC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 1859588976 YMEHYRDOJAYWDA-CYBMUJFWSA-N 288.347 1.274 0 50 CDAA CCCCn1ncc(NC(=O)N[C@H]2C[C@H](C(=O)O)C2)c1C 871655197 UAXCFQAKPFSYRK-XYPYZODXSA-N 294.355 1.976 0 50 CDAA C[C@H]1CN(c2cnc(Cl)cn2)C[C@H]1N1CCOCC1 952995326 IRCSADCXBZCKGQ-WDEREUQCSA-N 282.775 1.287 0 50 CDAA Cc1cncc(CCC(=O)Nc2cc(C(=O)O)nn2C)c1 1875292085 WBSVGDUXRBSEIW-UHFFFAOYSA-N 288.307 1.393 0 50 CDAA Cc1nc(C(C)C)nc(O)c1C(=O)N[C@H](C)c1cc[nH]n1 1875261897 GQLRATKDEZTEFZ-MRVPVSSYSA-N 289.339 1.828 0 50 CDAA CN(CC(=O)NC1CC1)C(=O)c1ccc(F)c(O)c1F 1875292523 KVGYQRFMZRQRAB-UHFFFAOYSA-N 284.262 1.021 0 50 CDAA CCc1cc(NC(=O)c2ccnn2C)sc1C(=O)O 1875291922 QAOQNFMZYZWAEG-UHFFFAOYSA-N 279.321 1.995 0 50 CDAA O=C1N[C@H](c2cccnc2)C(=O)N[C@H]1CC1CCCCC1 1875278756 CDOVWERRDDWMTR-UONOGXRCSA-N 287.363 1.708 0 50 CDAA C[C@H](CCc1ccncc1)N1C(=O)NC2(CCC2)C1=O 1875283630 YJWAFXNQPGIVHL-LLVKDONJSA-N 273.336 1.877 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCCc2c(C)ccc(O)c21 1875370647 WZOAGFHVNOMDPQ-UHFFFAOYSA-N 288.347 1.624 0 50 CDAA CCn1nc(C(=O)NCCOC)c2c1[C@H](C)O[C@H](C)C2 1875301465 KKOBBYRQYVXSBF-ZJUUUORDSA-N 281.356 1.301 0 50 CDAA COCc1cccc(C(=O)N2CC[C@@H](N)C[C@@H]2C)c1 237222995 VTNMKXTUTNQXDW-SMDDNHRTSA-N 262.353 1.785 0 50 CDAA CC(C)OCCC(=O)N1CCOc2ccccc2[C@H]1CO 887107946 STFVVDJNMWQAFA-CQSZACIVSA-N 293.363 1.756 0 50 CDAA CN1CCN(CCCNCc2cnn(C)c2C2CC2)CC1 893324585 WZJOCONXRDAZIW-UHFFFAOYSA-N 291.443 1.025 0 50 CDAA Cc1cc(C(F)(F)F)nc(N2CC(c3nc[nH]n3)C2)n1 1775992612 LXBLPSBDTJTTJB-UHFFFAOYSA-N 284.245 1.526 0 50 CDAA Fc1ccccc1N1CCN([C@H]2CCCNC2)CC1 37746631 BXUAAQNMWXBKFT-ZDUSSCGKSA-N 263.360 1.700 0 50 CDAA CC[C@@H](C(=O)O)N1CCO[C@@H](c2cccc(OC)c2)C1 263575265 OUCIEDAUVJKTCW-UONOGXRCSA-N 279.336 1.932 0 50 CDAA CCOC(=O)[C@@H](CC)N1CCC(c2cnn(C)c2)CC1 266510154 DETLGVLPBUCFHQ-CQSZACIVSA-N 279.384 1.941 0 50 CDAA COc1cccc(C(=O)NC2(C(=O)O)CCC2)c1OC 164829453 ZSVDDNAECVHGBP-UHFFFAOYSA-N 279.292 1.441 0 50 CDAA C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)O)Oc1ccccc1 268917575 QRUOCDFEIDZJSO-JLLWLGSASA-N 263.293 1.291 0 50 CDAA Cc1csc([C@H]2CN([C@@H]3CCCN=C3O)CCO2)n1 328614446 RCNMKFVULQGOOB-GHMZBOCLSA-N 281.381 1.944 0 50 CDAA O=C(c1coc2ccccc12)N1C[C@H](O)C[C@H]1CO 336146683 LNQBIHMVKYKBMB-VHSXEESVSA-N 261.277 1.001 0 50 CDAA CN1CCCC[C@H]1Cn1c(=O)cnc2ccccc21 95385130 SIDUAHDJXPNJNS-LBPRGKRZSA-N 257.337 1.881 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(C(=O)O)cc2)C[C@@H](C)N1 581670535 IYFBSVIHEIHFFP-AOOOYVTPSA-N 262.309 1.207 0 50 CDAA Cn1nccc1[C@@H]1CCCN1c1ncccc1C(=O)O 900976716 ONXXRYKIUXWJCH-LBPRGKRZSA-N 272.308 1.855 0 50 CDAA CCOc1ccc(/C=C/C(=O)Nc2nnc[nH]2)cc1OC 5686510 SPVDOTYMPLSPNN-FNORWQNLSA-N 288.307 1.864 0 50 CDAA COc1cc(OC)cc(-c2nc(N3CCOCC3)n[nH]2)c1 2100555367 SLKRQVJKCSVVNT-UHFFFAOYSA-N 290.323 1.326 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1ccc(O)cc1)C2=O 19312740 UPGONPAADHTFSG-UHFFFAOYSA-N 272.348 1.617 0 50 CDAA Cn1cc(NC(=O)C[C@H]2CO[C@@H](CN)C2)c(C(F)F)n1 2325780342 ZKTJRNFRWAEMRC-JGVFFNPUSA-N 288.298 1.050 0 50 CDAA O=C(c1ccc(-c2cn[nH]c2)cc1)N1CC[C@@H]2CNC[C@@H]2C1 2325780539 RUYPLPSMXZWMRE-GDBMZVCRSA-N 296.374 1.758 0 50 CDAA O=C(N[C@@H](c1nn[nH]n1)C1CC1)c1coc2c1CSC2 2325807088 ZFBLNBQTEUKLLW-SNVBAGLBSA-N 291.336 1.421 0 50 CDAA CCn1c(O)nnc1CNC(=O)c1cc2c(C)cccc2[nH]1 2325853924 IATJPVIYCJVWJI-UHFFFAOYSA-N 299.334 1.723 0 50 CDAA CC(C)c1ccc(OCC(=O)N2CC[C@H](N)C2)cc1 132534959 MXCWYADNGOVBOL-ZDUSSCGKSA-N 262.353 1.748 0 50 CDAA CC(=O)NN1C(=O)c2cccc3cccc(c23)C1=O 272086 LOYAJIWOCJYOIZ-UHFFFAOYSA-N 254.245 1.487 0 50 CDAA CC1=CN(C2=NS(=O)(=O)c3ccccc32)[C@@](C)(O)C1 380446 OCOWUBGAMQENML-ZDUSSCGKSA-N 278.333 1.454 0 50 CDAA N[C@@H](Cc1cccc(I)c1)C(=O)O 2385604 BABTYIKKTLTNRX-QMMMGPOBSA-N 291.088 1.246 0 50 CDAA in-vitro COC(=O)c1cn(-c2ccccc2F)nc1C(=O)OC 2544830 DQPZRZBAPCPLEF-UHFFFAOYSA-N 278.239 1.585 0 50 CDAA Cc1nnc2n1[C@H](C)C(=O)N(Cc1ccccc1)C2 2356142298 MSSLPJMOFOTBLH-SNVBAGLBSA-N 256.309 1.690 0 50 CDAA Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 3999333 KFRYAJUTOBAFDT-INIZCTEOSA-N 282.299 1.682 0 50 CDAA biogenic CCc1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 6371698 BTJWEYUGSBWBEH-GFCCVEGCSA-N 263.337 1.875 0 50 CDAA O=C(C[C@@H]1SCCNC1=O)Nc1ccccc1F 6701744 HHCOIUGMTUBQBU-JTQLQIEISA-N 268.313 1.386 0 50 CDAA C[C@H]1CN(C(=O)N[C@H](C)Cn2ccnc2)C[C@@H](C)O1 225183538 HSPFVXMINMDHRG-UTUOFQBUSA-N 266.345 1.090 0 50 CDAA COC(=O)[C@@H](O)CNc1ccc(C(F)(F)F)cn1 225591474 DHJZYLJPDXKZMW-ZETCQYMHSA-N 264.203 1.046 0 50 CDAA CCSCCn1nc(CC2CCNCC2)n(CC)c1=O 65507721 IECLOCFWQNMIDW-UHFFFAOYSA-N 298.456 1.360 0 50 CDAA OC[C@H]1C[C@@H](F)CN1c1ccc(C(F)(F)F)nn1 344147144 URRJHXDJBOPUAA-RNFRBKRXSA-N 265.210 1.405 0 50 CDAA O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cnn[nH]1 57065226 BZSOXJMQRXXHSQ-SNVBAGLBSA-N 289.314 1.200 0 50 CDAA CCOC(=O)[C@@H]1C(=O)CC(=O)C[C@H]1c1ccc(OC)cc1 100104166 QYKQFTVLQARPNH-ZFWWWQNUSA-N 290.315 1.890 0 50 CDAA CC[C@@H](CO)N(Cc1cccnc1)Cc1[nH]cnc1C 55166959 DZVAEQNXWLMPJV-AWEZNQCLSA-N 274.368 1.886 0 50 CDAA CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)O)CC1 407985737 KEDGYVRGIALRAA-UHFFFAOYSA-N 296.327 1.548 0 50 CDAA CC[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65362744 MNWYURPIMBCYTI-JTQLQIEISA-N 284.381 1.611 0 50 CDAA CC(C)Oc1cccc(C(=O)NCCN2CCOCC2)c1 20550002 PIQXWQMOYDGGSL-UHFFFAOYSA-N 292.379 1.536 0 50 CDAA Cc1cc([C@@H]2CCCN(C[C@@H](O)Cn3cccn3)C2)n[nH]1 229923714 IBAVMZDCBZUZSR-ZIAGYGMSSA-N 289.383 1.155 0 50 CDAA CCN(Cc1ccc2[nH]ccc2c1)Cc1nc(=O)[nH][nH]1 252503288 VASCWRGVBXSOSZ-UHFFFAOYSA-N 271.324 1.601 0 50 CDAA CC[C@H]1CN(C(=O)CO)CCC(=O)N1Cc1ccccc1 71774417 ALQKUYFMDCQARD-AWEZNQCLSA-N 290.363 1.018 0 50 CDAA Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H]1CCC[C@H]1CN)C2 262653839 ZCYHQIDXLDANKW-NOLJZWGESA-N 288.391 1.851 0 50 CDAA COc1cccc(Cl)c1CN1C[C@@H](O)C[C@H]1CO 253392454 IXQDLLLFOYTAIJ-UWVGGRQHSA-N 271.744 1.276 0 50 CDAA CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc2cc[nH]c2n1 329305447 YHTQVTKVVISNAC-AWEZNQCLSA-N 286.379 1.975 0 50 CDAA COc1nccnc1N(C)C[C@@H]1Cc2ccccc2O1 32581004 XOALBJZTURNQOK-LBPRGKRZSA-N 271.320 1.925 0 50 CDAA CCN(CC(=O)O)C1CC(NC(=O)c2cncc(C)c2)C1 262720687 PQAGZUSJVFHTEH-UHFFFAOYSA-N 291.351 1.057 0 50 CDAA O=C(NCCCc1ccccc1)NC[C@@H]1CCCN1 416803536 YFAIENWCWIDRIT-AWEZNQCLSA-N 261.369 1.670 0 50 CDAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2cnnn2C)C1 368052220 UMZFPMMTFXGCPL-CYBMUJFWSA-N 291.355 1.211 0 50 CDAA CC(C)c1cc(C(=O)N2CCCC[C@H]2[C@H](C)N)nn1C 236884119 MAYCAPIWAVUQGF-AAEUAGOBSA-N 278.400 1.885 0 50 CDAA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cn2cnnn2)C1 172793987 PZIQWSAJPUQZSS-MFKMUULPSA-N 289.314 1.422 0 50 CDAA CCOc1cccnc1C(=O)NC1CCC(C(=O)O)CC1 237003592 IVQYMEWVNBTBQO-UHFFFAOYSA-N 292.335 1.854 0 50 CDAA Cc1nc(N)sc1C(=O)NCc1ccc2nonc2c1 216520823 HQRIRSSFVFEFBO-UHFFFAOYSA-N 289.320 1.500 0 50 CDAA CCC(=O)N1CCN(C(=O)c2coc3c2C(=O)CCC3)C1 333611623 SBCFVIJDAYMQSJ-UHFFFAOYSA-N 290.319 1.451 0 50 CDAA Cn1cc(CCC(=O)N2CCCC[C@H]2CCC(=O)O)cn1 237766974 LJTXAALMWGTHJM-ZDUSSCGKSA-N 293.367 1.599 0 50 CDAA O=S(=O)(Cc1ccccc1Cl)N[C@@H]1CCCNC1 237892376 ARGNSZYAJPWYRZ-LLVKDONJSA-N 288.800 1.511 0 50 CDAA Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc[nH]c1 334594034 LQYKDBDFBBAVRV-OAHLLOKOSA-N 269.348 1.996 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 238174923 CZTCJCNDORUKHM-HTQZYQBOSA-N 269.247 1.659 0 50 CDAA CCOCCC(=O)N(CC)Cc1nc(C(C)C)no1 219228508 YZENUZFMUORUCZ-UHFFFAOYSA-N 269.345 1.968 0 50 CDAA CCCCO[C@H](C)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 241132802 JLTVDIQBXJOVFE-QLFBSQMISA-N 298.427 1.249 0 50 CDAA CC(C)(O)c1cn(C2CCN(C(=O)CC3CC3)CC2)nn1 48282108 JWPPRLHTJBAODL-UHFFFAOYSA-N 292.383 1.469 0 50 CDAA Cc1ccc(F)c(C(=O)N[C@@H]2[C@@H](N)[C@H]3CCO[C@H]32)c1Cl 220147075 XANRWXWSNVQICV-SZOBPAOMSA-N 298.745 1.632 0 50 CDAA CO[C@@H](CNC(=O)c1ccc(C(=O)O)c(C)n1)C(C)(C)C 263335182 NHKKWALZMOOHPF-LBPRGKRZSA-N 294.351 1.879 0 50 CDAA O=C(Nc1cnn(CC(F)F)c1)C12CCCN1CCC2 290480646 LWNSOAJGDLYMOF-UHFFFAOYSA-N 284.310 1.715 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2cccc3c2CCC3)CCO1 178281364 RMEFWAHIOJKUOE-CYBMUJFWSA-N 275.304 1.101 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@H](C)Cc2ncccc2C)[nH]1 426415682 VWPRSTIUSHYOCQ-GFCCVEGCSA-N 285.347 1.748 0 50 CDAA Cc1cc(=O)c(C(=O)N(C)CC2(CO)CCC2)c(C)[nH]1 426534516 VHWZODDRZBPTIQ-UHFFFAOYSA-N 278.352 1.226 0 50 CDAA COc1ccncc1NC(=O)CC[C@H]1CCOC1 176975316 WLIBVSORURJQJT-JTQLQIEISA-N 250.298 1.845 0 50 CDAA CC(C)(C)C(=O)NCCNC(=O)CC1C[C@@H]2CC[C@H](C1)N2 178481855 SWMKGCQMEQIAHT-YHWZYXNKSA-N 295.427 1.186 0 50 CDAA COCCn1cncc1CNC(=O)c1ccnn1C(C)C 426515797 VMZPWRSBNXORHG-UHFFFAOYSA-N 291.355 1.237 0 50 CDAA CCC(=O)NCc1nc(-c2cccc(OC)c2)no1 41153388 IMOUGRMQOYVNSH-UHFFFAOYSA-N 261.281 1.771 0 50 CDAA Cc1cccc([C@H](NC(=O)N2CCCC2)C(=O)O)c1 426510871 QPWBTGDUCQXXMT-LBPRGKRZSA-N 262.309 1.926 0 50 CDAA O=C(NCCc1nc(O)n[nH]1)c1nccc2ccccc12 426433698 TZFGMCUYRGKPRA-UHFFFAOYSA-N 283.291 1.031 0 50 CDAA Cn1cnnc1C1CCN(C(=O)C[C@H]2CCCOC2)CC1 192609598 HLQZFXRQAGHBEN-GFCCVEGCSA-N 292.383 1.338 0 50 CDAA CC[C@H](NC(=O)Cc1cccnc1)c1nc(C)no1 220588820 JIVCMHZZZPPJGO-NSHDSACASA-N 260.297 1.583 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2C)C1 178964538 JLYISJSWGMYGKT-GFCCVEGCSA-N 278.400 1.628 0 50 CDAA CC(C)(C)OC(=O)N1CCn2c(ccc2C(=O)O)C1 95743272 CUJDIXRXWMKMID-UHFFFAOYSA-N 266.297 1.937 0 50 CDAA O=C(N[C@@H]1CCOC1)c1cc(F)cc2cccnc12 179416509 CGICKDULVNXGDY-LLVKDONJSA-N 260.268 1.893 0 50 CDAA COCc1noc(CN2CCC[C@H](c3ncc[nH]3)C2)n1 331893919 WHVUNIJXRLVOOK-JTQLQIEISA-N 277.328 1.319 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N(Cc1cccc(OCCO)c1)C2 91562757 FDGGZPHEEVOWBU-JKSUJKDBSA-N 290.407 1.584 0 50 CDAA CCOC(=O)[C@@H](CCc1ccccc1)N1CCOCC1 96028199 JCYYVEDNDKQEEV-OAHLLOKOSA-N 277.364 1.883 0 50 CDAA Cc1nc(C[C@H]2CCCN(C(=O)C3(N)CCCC3)C2)no1 237773284 CEINHVMSKGTMQI-GFCCVEGCSA-N 292.383 1.431 0 50 CDAA Cc1nccn1CC1CCN(c2ccncn2)CC1 91656331 MTHXZRSRGZXBNK-UHFFFAOYSA-N 257.341 1.898 0 50 CDAA O=C1CCNC(=O)N1CCOc1ccc(F)cc1 95356471 XCHNWJXDCJNWHT-UHFFFAOYSA-N 252.245 1.146 0 50 CDAA CC(=O)N1CCN(CCSc2ccccc2)C[C@H](O)C1 91665366 HSSNEPLIBQAZGY-AWEZNQCLSA-N 294.420 1.304 0 50 CDAA Cc1cc2ncc(C(=O)N3CCC[C@@H]3C)c(C)n2n1 267652934 CJZOPMQAKOKAQE-JTQLQIEISA-N 258.325 1.971 0 50 CDAA CC(C)N1CCO[C@@H](CC(=O)NCCc2ccco2)C1 97553394 QZERARKDLQPYCR-AWEZNQCLSA-N 280.368 1.438 0 50 CDAA O=C(O)[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1c1ccc(F)cc1 91657286 RIOALQMULBXLPK-QWHCGFSZSA-N 289.310 1.849 0 50 CDAA CN(C(=O)c1n[nH]c2c1COCC2)C1CCSCC1 244872750 WDTKCFWPQZZARM-UHFFFAOYSA-N 281.381 1.450 0 50 CDAA Cc1cc(F)c(C(=O)NC2(C(N)=O)CCC2)c(F)c1 622831128 FUSVMPYDRVJEAZ-UHFFFAOYSA-N 268.263 1.411 0 50 CDAA Cc1ccc(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)o1 299740492 BDGGRBUZVBVELC-OCCSQVGLSA-N 296.342 1.359 0 50 CDAA O=C(N[C@@H]1CCSc2c(F)cccc21)[C@@H]1C[C@H](O)CN1 299750346 NECWZFMNDSWACM-AXTRIDKLSA-N 296.367 1.202 0 50 CDAA Cc1cc(C)n(CCCC(=O)NCc2cc[nH]n2)n1 534592704 NTIZJLJSXOFAMN-UHFFFAOYSA-N 261.329 1.320 0 50 CDAA C[C@@H](C(=O)NCc1nc(C(C)(C)C)cs1)n1cnnn1 534671572 ZIUBLUDTSCFFTH-QMMMGPOBSA-N 294.384 1.305 0 50 CDAA Cc1ocnc1C(=O)N[C@H](c1nccn1C)C1CC1 534661923 ORYNVEHTDGRYGB-NSHDSACASA-N 260.297 1.598 0 50 CDAA CCC[C@H](NC(=O)C(=O)c1cccn1C)c1nccn1C 534592182 LQQCQKOVBKRZLH-NSHDSACASA-N 288.351 1.599 0 50 CDAA CC(C)n1ccnc1CNC(=O)c1cscn1 534631876 VTZXYMXKSZRANL-UHFFFAOYSA-N 250.327 1.851 0 50 CDAA CC[C@H](O)CN1C(=O)CC[C@H]1CCNCc1ccccc1 299768947 HBXPXHXRUPXXLV-HOTGVXAUSA-N 290.407 1.928 0 50 CDAA O=C(Nc1ccc2c(c1)COC2=O)NC1CCOCC1 299760999 QMGCBGLZLBNJGI-UHFFFAOYSA-N 276.292 1.658 0 50 CDAA COCCN1C[C@@H](Cc2cnc(N)c(C)c2)CC1=O 299791717 GICRBDKLPGCQOJ-LBPRGKRZSA-N 263.341 1.010 0 50 CDAA CCc1nnc(CNC(=O)[C@@]2(C)CCCO2)s1 292261929 POVLSTQTSHMNCE-LLVKDONJSA-N 255.343 1.286 0 50 CDAA COCCCN1CC[C@@H](CNC(=O)c2cncc(F)c2)C1 824390219 VLKZVLBJZJCBBS-LBPRGKRZSA-N 295.358 1.309 0 50 CDAA CSc1ncc(CNC(=O)C(C)(C)n2cccc2)n1C 824959014 IIKVNZWLYVOWLX-UHFFFAOYSA-N 292.408 1.995 0 50 CDAA CCOC1CCN(C(=O)CCCN2CCCCC2=O)CC1 823310788 RLPZQVXLQRKYLS-UHFFFAOYSA-N 296.411 1.807 0 50 CDAA Cc1nc(CCN(C)C(=O)[C@H]2CC(C(C)C)=NO2)no1 584903139 GEBHKJPSZHBNCW-LLVKDONJSA-N 280.328 1.180 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1ccnnc1 822280890 CHQZKBMUFPUFON-SECBINFHSA-N 260.301 1.140 0 50 CDAA Cc1cc2c(cc1CN1CCN3C(=O)OC[C@H]3C1)OCO2 828322947 UYFZHHRWQLWLNF-GFCCVEGCSA-N 290.319 1.360 0 50 CDAA CC(C)c1cnc(NC2CCS(=O)(=O)CC2)nc1 822273479 YCHSGNSGAVSUDT-UHFFFAOYSA-N 269.370 1.589 0 50 CDAA CC(C)=CCN1CCC(CNC(=O)[C@@H]2CCC(=O)N2)CC1 1002063798 YLQIUYGNFKRZIG-AWEZNQCLSA-N 293.411 1.059 0 50 CDAA NC[C@@H]1C[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)CCN1 757207445 BEYZMBORRMATFB-ZNSHCXBVSA-N 265.323 1.244 0 50 CDAA COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCCC1 16622222 OUKBWXYDIBSTTB-UHFFFAOYSA-N 298.364 1.015 0 50 CDAA N[C@H]1CN(C(=O)NC2CC(F)(F)C2)CC12CCC2 1553478710 KFAFGHRIMCOVTP-VIFPVBQESA-N 259.300 1.307 0 50 CDAA COCCN1CCC[C@H](CNC(=O)C2CCC2)C1 952978953 GIIGTZUKLYRPKA-GFCCVEGCSA-N 254.374 1.261 0 50 CDAA CNC(=O)CCN1CCC(CNC(=O)C2CCCC2)CC1 952873146 VXRXJYYUDGFRTQ-UHFFFAOYSA-N 295.427 1.141 0 50 CDAA O=C(CO)N1CCSC[C@@H]1c1ccc(Cl)cc1 305698001 FFAOBXMUAZLTHG-LLVKDONJSA-N 271.769 1.949 0 50 CDAA COC1(CO)CCN(C(=O)[C@H]2CCCO[C@@H]2C(C)C)CC1 408474494 AHFDAAULYTYYSO-UONOGXRCSA-N 299.411 1.438 0 50 CDAA CCOC[C@@H]1CCN(C(=O)C2(C(=O)OC(C)(C)C)CC2)C1 408522417 IQAPXMQNNCCLIS-GFCCVEGCSA-N 297.395 1.993 0 50 CDAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)CCO 222107122 CGQPCFHWUGXULJ-WCFLWFBJSA-N 263.337 1.686 0 50 CDAA CC[C@@]1(C)NC(=O)N(c2ccc3c(c2)N(C)CCO3)C1=O 277904800 AINISRWGCJAGIT-OAHLLOKOSA-N 289.335 1.740 0 50 CDAA COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc2cc(F)ccc2o1 170089463 PSBKTTXNDFDOBV-DGCLKSJQSA-N 293.294 1.680 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccccc1 100023241 QKZKKFXTPSCYQI-XDQVBPFNSA-N 253.301 1.994 0 50 CDAA in-vitro Cc1ccccc1-c1nnn(Cc2ncnn2C(C)C)n1 278589564 DZVVOPNCYALVJK-UHFFFAOYSA-N 283.339 1.869 0 50 CDAA COc1cccc(OC)c1CC(=O)N[C@H](CN)CC(C)C 170677015 SFXHGBVMWBXVPQ-LBPRGKRZSA-N 294.395 1.736 0 50 CDAA O=C(CCc1cccc(F)c1F)OC[C@H]1CNC(=O)O1 170609316 SZTCBPRNUQYYRX-SECBINFHSA-N 285.246 1.549 0 50 CDAA Cc1noc(C)c1S(=O)(=O)N1CC2CCC1(CN)CC2 518217745 VOAGMXNSDQPSBF-UHFFFAOYSA-N 299.396 1.183 0 50 CDAA COC[C@H]1CCN(C(=O)Cc2cccc3c2CCNC3)C1 637993153 WXSLSLZQYKLXOO-ZDUSSCGKSA-N 288.391 1.370 0 50 CDAA CN(C)CC(=O)NC(C)(C)c1nc2ccccc2n1C 188881332 UIYQEDLNYVFTIL-UHFFFAOYSA-N 274.368 1.486 0 50 CDAA CCC[C@H](N)C(=O)NCc1cc2c(nc1O)CCC2 645986666 AVVIGTFJPZGZNH-NSHDSACASA-N 263.341 1.020 0 50 CDAA CC(C)N1CCC[C@@H](N(C)[C@]2(CO)CC[C@@H](C)C2)C1=O 192798862 NYPXQCHVMAAUCY-IIAWOOMASA-N 282.428 1.869 0 50 CDAA Cc1ccc(CS(=O)(=O)N2CC[C@@H]2C(=O)O)cc1C 650420417 VXPUCZDCDKWZQX-GFCCVEGCSA-N 283.349 1.292 0 50 CDAA Cc1c(Cl)cccc1C(=O)NCc1nnc[nH]1 195208808 QUAOYTGCHZIVIB-UHFFFAOYSA-N 250.689 1.697 0 50 CDAA CCc1cc(=O)[nH]c(-c2ccc(N(C)C[C@H](C)O)nc2)n1 195575107 MPOLTHMILAICBW-JTQLQIEISA-N 288.351 1.211 0 50 CDAA Cc1cnc(OC2CCN(Cc3ccn(C)n3)CC2)nc1 653799246 SVLGJXMPJZPCEK-UHFFFAOYSA-N 287.367 1.562 0 50 CDAA Cn1ccnc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 584906934 JPHVVBJKGKUHBH-CYBMUJFWSA-N 291.376 1.776 0 50 CDAA COc1cnc(-c2noc([C@H](C)c3cnn(C)c3)n2)cn1 585120567 WEOZUSKYPSVJGQ-MRVPVSSYSA-N 286.295 1.421 0 50 CDAA Cc1nc2c([nH]1)C[C@H](C(=O)Nc1ccn(C)n1)CC2 679640147 AZLHFPQWCOJPNC-SECBINFHSA-N 259.313 1.195 0 50 CDAA NC(=O)c1cnccc1N1CCC(c2ccccn2)CC1 680830273 KNQVWOAMDCVBPM-UHFFFAOYSA-N 282.347 1.960 0 50 CDAA NC(=O)c1cc(NC(=O)C2CC2)nc2ccccc12 1618573882 WREXBUPJALPKPJ-UHFFFAOYSA-N 255.277 1.682 0 50 CDAA CC1=C(C(=O)NCCC[C@H]2CCOC2)OCCO1 1506403028 LYAVPKNJGHGATL-NSHDSACASA-N 255.314 1.198 0 50 CDAA COc1cc(-c2cccc3nc(O)[nH]c23)nc(OC)n1 1857712068 KLULSTPXPUPRMX-UHFFFAOYSA-N 272.264 1.743 0 50 CDAA Cc1cc(C(=O)N(C)C[C@H]2CCCCN2C)c(O)nc1C 1506400518 WFXCHLNUGNHSHR-CYBMUJFWSA-N 291.395 1.960 0 50 CDAA COc1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1O 221297381 AEZCKMBRYDRVTK-LLVKDONJSA-N 279.336 1.947 0 50 CDAA COCCN1CC[C@H](CNc2nc(C)cnc2C)C1 1529111279 UWEVMUZXMOGNCX-CYBMUJFWSA-N 264.373 1.474 0 50 CDAA C[C@H]1CCCCN1CCN(C)c1nc(C(=O)O)co1 1529104037 KTWJBWCVMIBBGL-JTQLQIEISA-N 267.329 1.683 0 50 CDAA O=C1NC(=O)/C(=C\c2ccccc2Br)N1 318192 IXOQHQRBVUQOTH-VMPITWQZSA-N 267.082 1.629 0 50 CDAA O=C(c1ccccc1Br)N1CCOCC1 1464805 QPQCGIYRAMNHKH-UHFFFAOYSA-N 270.126 1.922 0 50 CDAA in-vitro COC(=O)[C@@H]1C(=O)c2ccccc2CC[C@H]2COC(=O)[C@@H]12 401233 IBJPSMRMSTWFON-UHTWSYAYSA-N 288.299 1.394 0 50 CDAA COc1cc(Br)cc2cc(C(N)=O)c(=O)oc12 1077386 KSTZYFKASUQUSA-UHFFFAOYSA-N 298.092 1.663 0 50 CDAA Cc1cccc(CCN2C[C@@H](O)[C@H](Cc3ccccn3)C2)n1 1704359641 XDQFTZKTTSWDIT-CRAIPNDOSA-N 297.402 1.863 0 50 CDAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCC1CC1 240626757 HJAPPOWOESWXFX-VXGBXAGGSA-N 260.403 1.046 0 50 CDAA CNS(=O)(=O)c1ccc(NC(=O)c2cc(C)on2)cc1 4750008 OJJWCETYGAFYHJ-UHFFFAOYSA-N 295.320 1.143 0 50 CDAA Cc1ccc/c(=N/S(=O)(=O)c2cccs2)[nH]1 470079 UDLOLGWRKMDCTD-UHFFFAOYSA-N 254.336 1.674 0 50 CDAA CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)OC1=S 463412 HVQJVJJHVJDZAK-WDZFZDKYSA-N 277.301 1.920 0 50 CDAA COCCNC(=O)C(=O)Nc1cc(Cl)ccc1C 5059419 YABAZRXPGJYXGB-UHFFFAOYSA-N 270.716 1.350 0 50 CDAA O=C(O)[C@H]1COCCN(C/C=C/c2ccc(F)cc2)C1 1772813951 CHBRGTBXKPWRGS-ZIYVKSGCSA-N 279.311 1.872 0 50 CDAA Cn1nnc2c(-n3ccnc3[C@H]3CCOC3)cccc21 1775981925 DWTYYLSNXWPAGP-JTQLQIEISA-N 269.308 1.658 0 50 CDAA O=C(COC[C@H]1CCCO1)NCc1cccn2nccc12 1772812153 CKJAYXCCVKDXAA-CYBMUJFWSA-N 289.335 1.146 0 50 CDAA Cc1cc(C)n(CCCN(C)CC[C@H]2COCCO2)n1 1775981775 IEUTXYCKAQGWBJ-HNNXBMFYSA-N 281.400 1.627 0 50 CDAA O=C(CC1=CCCC1)N1CCC([C@H](O)CO)CC1 1772712401 RKIPOSDLRTZGNF-CYBMUJFWSA-N 253.342 1.079 0 50 CDAA C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1 5527775 PNDBTUMTTDFLHZ-LBPRGKRZSA-N 292.335 1.160 0 50 CDAA CCN(C)C[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O 12574501 YQYQYTZWGDNVQU-QGZVFWFLSA-N 290.407 1.800 0 50 CDAA CN(C)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 12588776 YOOXFCFUFPEXRA-OAHLLOKOSA-N 298.333 1.380 0 50 CDAA COCC(=O)NCc1cccnc1-n1cnc2ccccc21 15078605 NYMSHGQOKDCXAH-UHFFFAOYSA-N 296.330 1.683 0 50 CDAA O=c1c2ccccc2nc(S)n1CCN1CCOCC1 17022681 FLSXOBRUYFHTFG-UHFFFAOYSA-N 291.376 1.017 0 50 CDAA CCCCOc1ccc(C)cc1CN(CCO)CCO 2266191 HYYUUUZWGYJOSU-UHFFFAOYSA-N 281.396 1.961 0 50 CDAA CCCCCCNC(=O)c1ccc2n[nH]c(=O)n2c1 166460208 HYSPGKPZPLUEQS-UHFFFAOYSA-N 262.313 1.333 0 50 CDAA Nc1ccccc1-c1ccccc1NC(=O)C(=O)O 2851443 JORYGIHNJXSIOZ-UHFFFAOYSA-N 256.261 1.959 0 50 CDAA Cc1nc(N2CCOC3(CCNCC3)C2)c2[nH]ccc2n1 1857683915 QYCYMBPEAWTPLX-UHFFFAOYSA-N 287.367 1.225 0 50 CDAA Cc1cc2n(n1)CCN(C(=O)[C@]1(C)CC13CCNCC3)C2 1857689757 KUKMSJICQLQEKD-HNNXBMFYSA-N 288.395 1.314 0 50 CDAA O=C(NCCn1cccn1)N1CCC(OCC2CC2)CC1 608685171 JIYKXSZBRXHHRS-UHFFFAOYSA-N 292.383 1.484 0 50 CDAA O=C(O)CCN(C(=O)C[C@@H]1CCCO1)C1CCOCC1 408513251 GGNMNRHWNSJRIX-LBPRGKRZSA-N 285.340 1.038 0 50 CDAA COC(=O)c1ccc(O)c(I)c1 2548331 PXNOLLHARLSLHY-UHFFFAOYSA-N 278.045 1.783 0 50 CDAA in-vitro CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[C@H](N)C1 237004584 QNEMBTXPBFNRJI-JSGCOSHPSA-N 262.353 1.712 0 50 CDAA C[C@@H](Cc1cccs1)C(=O)N1CCO[C@@H](C(=O)O)C1 237377432 USSOUPVOIRESNH-GXSJLCMTSA-N 283.349 1.239 0 50 CDAA CNc1nc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cs1 248025624 GRWNUKXPQMQJPD-BDAKNGLRSA-N 295.364 1.368 0 50 CDAA Cc1cc(N2CCN(C)CC2)ncc1Br 19721225 WCOZEBJJPANQBY-UHFFFAOYSA-N 270.174 1.904 0 50 CDAA in-vitro COc1ccccc1OCCC(=O)N1CCC[C@@H](N)C1 157934786 HMXHLZLZSQHOED-GFCCVEGCSA-N 278.352 1.414 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)NCCc1ccc(F)cc1 583651247 JJNVOTGIZFJNGV-UHFFFAOYSA-N 276.315 1.933 0 50 CDAA CC[C@@H]1C(=O)N(C)CCN1c1ccc2nccnc2n1 585098796 BUAOADKSBZOPJD-LLVKDONJSA-N 271.324 1.082 0 50 CDAA CNc1ccccc1CNC[C@H]1CCCN1S(C)(=O)=O 902410704 SLXSWAGYQHNTTA-CYBMUJFWSA-N 297.424 1.242 0 50 CDAA C[C@H]1CN(C(=O)Cn2cncn2)c2cc(F)c(F)cc2O1 906234343 AHWHRHIPSRWPLR-QMMMGPOBSA-N 294.261 1.370 0 50 CDAA C[C@H](O)C1(NC(=O)c2ccc(OC(F)F)nc2)CC1 825677572 HOVMLXMGGCGJDS-ZETCQYMHSA-N 272.251 1.326 0 50 CDAA CCC1(C(=O)N2CCO[C@H](CC(=O)O)C2)CCC1 236867867 STHBFISEQYLNHC-SNVBAGLBSA-N 255.314 1.269 0 50 CDAA CNC[C@@H](O)[C@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 952882213 JGOXBLQGYMWEQQ-WCQYABFASA-N 284.444 1.924 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCCO)C3CC3)n[nH]c21 1875393907 QMZBXIVHALFTJF-ZJUUUORDSA-N 293.367 1.419 0 50 CDAA N=c1nc2[nH]c(SCC3[C@@H]4CCC[C@@H]34)nc2c(N)[nH]1 1875331741 AVFVWJUFWAHGDQ-PHDIDXHHSA-N 276.369 1.486 0 50 CDAA O=C(c1ccc(-c2nn[nH]n2)cc1F)N1CCCC1 1875322598 YIHUASYAIWBNEY-UHFFFAOYSA-N 261.260 1.242 0 50 CDAA Cc1ncc2c(n1)CCN(C(=O)CN1CCCCC1)C2 1875321670 QOVBBDQLWOHNSJ-UHFFFAOYSA-N 274.368 1.156 0 50 CDAA Cc1cnn(C[C@@H](C)NC(=O)N2CCC[C@@H]2CCO)c1 888093327 SACPIZOTVDWMDI-CHWSQXEVSA-N 280.372 1.136 0 50 CDAA CCn1cnc2c(N3CC4(CCOCC4)C3)ncnc21 893938633 QIQDHIMXIQXQRC-UHFFFAOYSA-N 273.340 1.463 0 50 CDAA OC[C@@H]1Cc2ccccc2N1Cc1cnc2n1CCOC2 895330338 OOLPMXQJDUFXFF-ZDUSSCGKSA-N 285.347 1.337 0 50 CDAA COc1ccnc(NC[C@@](C)(O)c2cccc(F)c2)n1 895746839 YOOADZYTOQCDAO-CQSZACIVSA-N 277.299 1.944 0 50 CDAA CCC(CC)(CNC(=O)C(C)(C)Cc1cnn[nH]1)OC 1775985777 PXTXKKGQRJIRIK-UHFFFAOYSA-N 282.388 1.695 0 50 CDAA Cn1cnc(-c2nc(C[C@H]3COc4ccccc43)no2)n1 897086619 NGXZFODJXJQSGT-VIFPVBQESA-N 283.291 1.584 0 50 CDAA CCc1cccc(S(=O)(=O)N2CCC(C(=O)O)CC2)c1 262500263 ZCHGSTQLKVJMPP-UHFFFAOYSA-N 297.376 1.734 0 50 CDAA CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccns2)C1 404273479 MDWLWJHWGAYBSA-ONGXEEELSA-N 274.411 1.589 0 50 CDAA C[C@@H](O)[C@H]1CN(C(=O)c2cc(O)ccc2Cl)CCO1 408467365 LCMQJEXYDGCWFN-PRHODGIISA-N 285.727 1.267 0 50 CDAA NC(=O)c1ccc(CN2CCC[C@]3(CCOC3)C2)cc1 336223328 VXXQYQCUMGEOPO-INIZCTEOSA-N 274.364 1.788 0 50 CDAA CC[C@H](C)C(=O)C(=O)N[C@](C)(CC(C)C)C(N)=O 2325811356 RQAAYGQWXATKAL-TVQRCGJNSA-N 256.346 1.008 0 50 CDAA O=C(NCCn1cnc2sccc2c1=O)c1ccccc1 2325843118 VQMQLEQCEUUWDW-UHFFFAOYSA-N 299.355 1.888 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccco2)S1 89932 TVFJJLYNFOQVCF-NSHDSACASA-N 267.310 1.455 0 50 CDAA COC(=O)N1N=C(C)C[C@@]1(O)c1ccc(OC)cc1 248814 BOZOVJLCUNMJGB-CYBMUJFWSA-N 264.281 1.688 0 50 CDAA CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 270171 QXKJFAONGHTPPZ-VIFPVBQESA-N 273.354 1.781 0 50 CDAA COc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C 527864 CYAIIRMCYQHMNT-UHFFFAOYSA-N 263.746 1.907 0 50 CDAA CC(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1 619051 NGKKAYHEUPAAOG-UHFFFAOYSA-N 271.338 1.391 0 50 CDAA CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H](C)S[C@@H]1C 404565 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CC(=O)c1c(C)nn(Cc2nc([C@@H]3CCOC3)no2)c1C 96142201 JIDIQHQUGAPTKW-LLVKDONJSA-N 290.323 1.638 0 50 CDAA Cc1c(CCC(=O)N2CC[C@H](O)C23CCCC3)cnn1C 294349354 XILGNACIOJQXPK-AWEZNQCLSA-N 291.395 1.567 0 50 CDAA CCOC(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C 142706544 QHWOZJGWXZDMDZ-OPRDCNLKSA-N 255.314 1.947 0 50 CDAA O=C(NCc1cc2n(n1)CCCNC2)c1cc(Cl)c[nH]1 97547622 QGZOIAXPPMQFSW-UHFFFAOYSA-N 293.758 1.288 0 50 CDAA O=C(Nc1cccnc1F)N1CCC2(CC1)C[C@H](O)CO2 95506207 RGNWIRHKGXXRLQ-JTQLQIEISA-N 295.314 1.368 0 50 CDAA Cc1ccc([C@@H]2CN([C@H]3CCN(C)C3=O)CCO2)c(C)c1 248151399 UGDHESLYBHXEHO-HOTGVXAUSA-N 288.391 1.907 0 50 CDAA Cc1ncsc1CCN(C)CC(=O)NC[C@@H]1CCCO1 244708246 KQBGTQRNIFBVRO-LBPRGKRZSA-N 297.424 1.221 0 50 CDAA COCCc1noc(CN(C)[C@H](C)Cc2cnccn2)n1 243914691 BJNPGLYGPRQETF-LLVKDONJSA-N 291.355 1.112 0 50 CDAA Cn1nccc1CCNC(=O)c1cccc2[nH]ccc12 183777348 OOGNIMWISBFKTJ-UHFFFAOYSA-N 268.320 1.874 0 50 CDAA NC(=O)[C@@H](O)C1CCN(Cc2ccc(F)c(F)c2)CC1 299745907 TZJDRJJTOZMWIM-ZDUSSCGKSA-N 284.306 1.023 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CCn1ncnc1[C@@H](C)n1cnc2cccnc2c1=O 584888399 SXQQALLBRSWGOT-SECBINFHSA-N 270.296 1.012 0 50 CDAA Fc1cccc(-c2cnnc(N3CCN4CCC[C@H]4C3)n2)c1 826621374 UGKVAUSPYFPDCS-AWEZNQCLSA-N 299.353 1.962 0 50 CDAA Cc1ncnc(C)c1C(=O)N(C)Cc1cscn1 584891785 WFHLZTFEBMXFBX-UHFFFAOYSA-N 262.338 1.822 0 50 CDAA O=C(O)c1ccc(=NC[C@@H]2CCN(C3CCCC3)C2)[nH]n1 584893476 FARUFLPLGHTZLL-NSHDSACASA-N 290.367 1.273 0 50 CDAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@@H](O)C(C)C)n1 584895147 AEXVRXRHGKWARH-JTQLQIEISA-N 291.273 1.437 0 50 CDAA Cc1ccc(C(=O)N2CCC(CC(N)=O)CC2)n1C(F)F 584903833 FFTWNUIHTBFJAF-UHFFFAOYSA-N 299.321 1.919 0 50 CDAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2Cl)C1 670446875 GAILNTSUNRUYHO-SECBINFHSA-N 298.774 1.440 0 50 CDAA CN(CCC1(O)CCCC1)C(=O)CN1CCCCC1=O 584901263 BWUUXBQVRHDLLL-UHFFFAOYSA-N 282.384 1.153 0 50 CDAA COCC[C@H]1CN(CCCn2cc(C)cn2)CCO1 670451743 PKSILBZRSFMTQA-AWEZNQCLSA-N 267.373 1.319 0 50 CDAA Cc1ccc([C@H](C)NC(=O)CN2CCCC2=O)cn1 670444880 RDACXHCDVYAXCH-NSHDSACASA-N 261.325 1.190 0 50 CDAA 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263.385 1.314 0 50 CDAA COCCCS(=O)(=O)N1C[C@@H]2CCCCC[C@@H]21 170594464 UADSEKBDSOIIOC-RYUDHWBXSA-N 261.387 1.617 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)C(=O)O)C2)nc1 269285362 IATVCTQYSNDDBT-VXGBXAGGSA-N 291.351 1.514 0 50 CDAA CCCNCCNC(=O)[C@H](C)c1ccc(OC)cc1 170689526 BHGKPWLQYCDCBR-GFCCVEGCSA-N 264.369 1.915 0 50 CDAA C[C@H](NC(=O)CNC(=O)CCC1CCCC1)c1ncc[nH]1 170618661 QLYUWXZXANRSBQ-NSHDSACASA-N 292.383 1.674 0 50 CDAA NC[C@H]1CN(Cc2nc3ccccc3s2)CCO1 165074387 LMOORCXIQVKTKM-JTQLQIEISA-N 263.366 1.456 0 50 CDAA CCc1nnsc1C(=O)N[C@H](CC)[C@@H](O)C(F)(F)F 270833439 GPWNDXPMYAKRNM-HTRCEHHLSA-N 297.302 1.532 0 50 CDAA Cc1nnc([C@@H]2COCCN2C(=O)c2cscc2C)o1 275427618 RNPADBGEPCMNIO-NSHDSACASA-N 293.348 1.962 0 50 CDAA C[C@@H](CNC(=O)[C@@H]1COc2ccccc21)CC(=O)O 211759537 BGHUHIQIHNFSFU-MWLCHTKSSA-N 263.293 1.390 0 50 CDAA NC(=O)C1CCC(CNC(=O)[C@H]2C[C@H]2C2CC2)CC1 170024618 BUTAFBXFENCDNJ-DCPRQKDISA-N 264.369 1.440 0 50 CDAA Cc1cc(CN(C)[C@H](C)c2nnnn2C2CC2)no1 191935293 VRCDILOYCGFUHM-SECBINFHSA-N 262.317 1.497 0 50 CDAA C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccnn1C 192999079 GYLZDXGUTZVGAJ-CHWSQXEVSA-N 286.383 1.530 0 50 CDAA CC1(C)CN(C(=O)[C@@H]2CCOC2)CC2(CCCC2)O1 195574468 HBAZTDWAYKWHJU-GFCCVEGCSA-N 267.369 1.973 0 50 CDAA C/C(=C\C(=O)N1CCO[C@H](C(=O)O)C1)c1ccccc1F 584908055 FKVGCFSJSMNEAE-FROQITRMSA-N 293.294 1.541 0 50 CDAA Cc1cc(-c2noc(C(C)(C)C(N)=O)n2)cc2nc[nH]c12 585084266 VABPUGTWJQEHAB-UHFFFAOYSA-N 285.307 1.684 0 50 CDAA NC(=O)c1ccc(C(=O)N2CCC(=O)[C@H]3CCC[C@H]32)cc1 585087538 HDWLABVZNXNPIQ-QWHCGFSZSA-N 286.331 1.369 0 50 CDAA NC(=O)c1cnccc1N1CCC(c2cn[nH]c2)CC1 762795381 VPMVWCCKJZZMRY-UHFFFAOYSA-N 271.324 1.288 0 50 CDAA CN(c1cnccn1)S(=O)(=O)c1cnn(C(C)(C)C)c1 1615588163 OVJZEWZPBBITNW-UHFFFAOYSA-N 295.368 1.253 0 50 CDAA O=C(NCc1cccc2c1OCC2)[C@]12CC[C@H]1CNC2 1615569905 ZKEVQBWEEDEHMT-BBRMVZONSA-N 272.348 1.237 0 50 CDAA CC[C@](C)(O)c1cn(CCN2CCC(F)(F)CC2)nn1 1875271207 BCEBINICVJERIX-LBPRGKRZSA-N 288.342 1.627 0 50 CDAA COc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 189907 RDFFRMBMQFHLKQ-ZDUSSCGKSA-N 265.353 1.921 0 50 CDAA aggregator CCc1nn(C)c(NC(=O)c2ccnc(OC)c2)c1C 1506408003 ASDCOUMCYXDZAA-UHFFFAOYSA-N 274.324 1.947 0 50 CDAA c1cc(C[C@@H]2COC[C@H]2Nc2cnccn2)ccn1 1529095749 WDQTWTPYELDHNO-CHWSQXEVSA-N 256.309 1.541 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)c1cnn2cc(C)cnc12 1529134185 OHMBAOIABKVVBZ-UHFFFAOYSA-N 298.350 1.894 0 50 CDAA CC(C)c1noc(N2C[C@H](C(N)=O)CC[C@H]2C)n1 215606129 BMDWQGPTXTWSFH-RKDXNWHRSA-N 252.318 1.283 0 50 CDAA COc1ccc(C[C@H](C)N[C@H]2CCCCNC2=O)cc1 4022531 WWPLVGJTGXDBAY-WFASDCNBSA-N 276.380 1.885 0 50 CDAA NC[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]2C2CCC2)C1 1857530753 QLNOFFJOCWRUFG-IGHBBLSQSA-N 265.401 1.849 0 50 CDAA O=C(c1cccnc1)N1CCN(c2ccccn2)CC1 4749465 UKYUGOWIURJNLD-UHFFFAOYSA-N 268.320 1.439 0 50 CDAA Cc1ccc(OCCNc2nnc(CCN)o2)cc1C 1772710174 VUIOWYNVUZHQDY-UHFFFAOYSA-N 276.340 1.679 0 50 CDAA OC[C@]12CNC[C@@H]1CN(CCCOCc1ccccc1)C2 1772706942 VLRRZJFNQUNBEF-IAGOWNOFSA-N 290.407 1.107 0 50 CDAA COC(=O)C[C@H]1Cn2c(nc3ccccc32)N=C1O 19957413 IWHJZOVMMRMTHA-QMMMGPOBSA-N 259.265 1.817 0 50 CDAA CC(=O)N/C(=C\c1ccccc1)C(=O)NCCCC(=O)O 4532862 PAMUSRDIXABYTA-RAXLEYEMSA-N 290.319 1.145 0 50 CDAA O=C(CSc1ncn[nH]1)Nc1cccc(F)c1 3293680 PFSHZOFTJMJWQX-UHFFFAOYSA-N 252.274 1.675 0 50 CDAA CC1=C[C@H](C)[C@H]2C(=O)N(CCCN(C)C)C(=O)[C@@H]2C1 4197740 OLVIZFKZLFJCGX-YNEHKIRRSA-N 264.369 1.525 0 50 CDAA Cc1c(C(=O)NCCN2CCCCC2)nc2ccccn12 1857673405 RWUDVLQHKZZCME-UHFFFAOYSA-N 286.379 1.858 0 50 CDAA C[C@H](CC(F)F)C(=O)N=c1ccn(Cc2ccncc2)[nH]1 411792050 QGTSFHQMASBMPQ-SNVBAGLBSA-N 294.305 1.978 0 50 CDAA CC(=O)NC1CN(C(=O)N[C@H](C)c2c(C)cccc2C)C1 225527545 RRLUGGZVBJEHQQ-GFCCVEGCSA-N 289.379 1.894 0 50 CDAA CCC[C@H](N)CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 124919161 OTGLZHXRWPQFTE-JQWIXIFHSA-N 298.408 1.416 0 50 CDAA Cc1nc(C)n(-c2ccc(C(=O)N3CC[C@@H](N)C3)cc2)n1 237697220 SPLWERLHGYUYCR-CYBMUJFWSA-N 285.351 1.057 0 50 CDAA Cc1c[nH]ccc1=NC(=O)N1C[C@H](C)OC2(CCC2)C1 335396182 RJUYRHVCNAVVSM-LBPRGKRZSA-N 275.352 1.987 0 50 CDAA C[C@@](O)(CN1CCO[C@@H](c2cccc(Cl)c2)C1)C(=O)O 568638512 ADQJZLWPBYJVJJ-TZMCWYRMSA-N 299.754 1.549 0 50 CDAA C[C@@H](NC(=O)N1CCN2CCC1CC2)c1cccnc1 376803812 ZKSKGXWUUQOAIG-GFCCVEGCSA-N 274.368 1.632 0 50 CDAA NC(=O)c1nccnc1C(=O)N1CC[C@@H](c2ccccc2)C1 266127073 JHKGCJKIKPTUFK-GFCCVEGCSA-N 296.330 1.205 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccs1)C2 1704311088 XOUJVUUUXNKFQA-QWRGUYRKSA-N 266.366 1.151 0 50 CDAA CC(C)Cc1ncc(NC(=O)NCc2cn(C)cn2)cn1 931206253 VHLIUKAASSNBOP-UHFFFAOYSA-N 288.355 1.730 0 50 CDAA Cc1nc(O)nc(O)c1NC(=O)C[C@@H]1CC=CCC1 934363792 MUHFOWCZWORVGN-SECBINFHSA-N 263.297 1.881 0 50 CDAA COC1(OC)CC[C@@H]1N[C@H]1CCN(c2ncccc2F)C1 864097255 RAMMOLPSMPDHBX-AAEUAGOBSA-N 295.358 1.541 0 50 CDAA Cc1nonc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 873281492 JTJJCLMKABQVHR-SMDDNHRTSA-N 294.355 1.215 0 50 CDAA CNC[C@H](O)CN(C)Cc1c[nH]nc1-c1ccsc1 1875290981 KONNOIWQYNLUNX-LBPRGKRZSA-N 280.397 1.150 0 50 CDAA Cc1cnn(CCC(=O)N2CC[C@@H](c3cc[nH]n3)C2)c1 1875285811 ABIIWBDLFRZLOE-GFCCVEGCSA-N 273.340 1.321 0 50 CDAA O=C(NC[C@H]1C[C@@H]2CCCC[C@H]2O1)[C@@H]1CCCO1 1875297953 JQLPRNDQLWVZOS-LOWDOPEQSA-N 253.342 1.629 0 50 CDAA COC[C@@H]1CCCN(c2nc(C)nc3n[nH]cc23)CC1 1875287233 ZTEXIXOVZFLTMU-LLVKDONJSA-N 275.356 1.914 0 50 CDAA CO[C@@H](CNC(=O)c1cc(O)nn1C)Cc1ccccc1 1875293926 HYDODYFNGDWHKC-GFCCVEGCSA-N 289.335 1.113 0 50 CDAA CN(C)c1cc(CN[C@H]2CCN(C(C)(C)C)C2=O)ccn1 1875284136 OAHSISKUAAFYDY-ZDUSSCGKSA-N 290.411 1.637 0 50 CDAA C[C@H](CNC(=O)[C@@]12COC[C@@H]1C2)N1CCc2ccccc21 1875266661 IADRZENAMOJUFD-IFIJOSMWSA-N 286.375 1.590 0 50 CDAA Cc1cc(C(N)=O)cc(C(=O)Nc2nccn2CC2CC2)c1 1875313112 HIUGCIMZNPAPRN-UHFFFAOYSA-N 298.346 1.953 0 50 CDAA COC(=O)/C=C/CCNC(=O)CCc1c(C)nn(C)c1C 1875311512 CHTJAHHPZNEYND-FNORWQNLSA-N 293.367 1.205 0 50 CDAA CC(C)(C)c1nnc(NC(=O)[C@H](N)Cc2ccco2)s1 1875307956 XNSFUHRGSLVDLC-SECBINFHSA-N 294.380 1.937 0 50 CDAA O=C(O)Cn1ncc2c(Br)cccc2c1=O 1875359191 XQQGRDCCINXBFW-UHFFFAOYSA-N 283.081 1.244 0 50 CDAA CC(C)CN1C[C@@H](C(=O)NCCc2ccns2)CC1=O 881502395 JVYDCERPKWWKPG-NSHDSACASA-N 295.408 1.306 0 50 CDAA Cc1nnc(NC[C@@H]2CCCN2CC(F)(F)F)nc1C 896053585 IDGRJFCJGQRNRG-JTQLQIEISA-N 289.305 1.927 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)o1 238084218 OFKFTTHGBFUJEQ-RKDXNWHRSA-N 267.281 1.259 0 50 CDAA C[C@H]1CN(CCC(=O)O)C[C@@H](c2ccsc2)O1 262458654 XDRLIORBDFAGGH-ONGXEEELSA-N 255.339 1.985 0 50 CDAA Cc1ccccc1CCNC(=O)N1CC[C@H](CN)C1 416875914 VCFSTSQADXQHMB-CYBMUJFWSA-N 261.369 1.528 0 50 CDAA COc1cccc(CN(C)CC[C@H]2CCS(=O)(=O)C2)c1 670445461 LMWXSZJJKHKZJR-ZDUSSCGKSA-N 297.420 1.952 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2ccc(O)nc2)C1 584885588 PRKPAUBNJLQLMB-NSHDSACASA-N 264.325 1.676 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1cccn2nccc12 723512022 GKOIVJQGGJSLJR-UKRRQHHQSA-N 270.336 1.349 0 50 CDAA COc1cc(=NC(=O)Nc2cc(Cl)ncc2C)[nH]n1C 2325782043 QQFSICMEPYALDX-UHFFFAOYSA-N 295.730 1.851 0 50 CDAA CC1(C)C(O)C(C)(C)C1NC(=O)c1cccn2nccc12 2325783263 JHIGYFVZNLYSDW-UHFFFAOYSA-N 287.363 1.860 0 50 CDAA Cc1coc(C)c1/C=C/C(=O)N1CC(c2nn[nH]n2)C1 2325802123 JKBMGEUPXKEHDV-ONEGZZNKSA-N 273.296 1.049 0 50 CDAA Cc1cc(NC(=O)c2cc3c(n2C)CCNC3)ccc1O 2325808399 XISMOIXCACPBGA-UHFFFAOYSA-N 285.347 1.937 0 50 CDAA CC1(C)SC[C@@H](C(=O)Nc2ccccc2)N1C=O 77931 WBZVVMDFTLGLJE-NSHDSACASA-N 264.350 1.935 0 50 CDAA Cc1ccc(C(=O)O)cc1NC(=O)CCCC(=O)O 214805 CHQBJZZVCILMNU-UHFFFAOYSA-N 265.265 1.887 0 50 CDAA COC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 286032 NBYHONTUFQXPIU-UHFFFAOYSA-N 297.376 1.894 0 50 CDAA Cc1nnc(SCC(=O)NC2CC2)n1-c1ccccc1 471520 MMHRJBYDCZPSIG-UHFFFAOYSA-N 288.376 1.946 0 50 CDAA Cc1cccc(OCC(=O)NC2=NCCS2)c1 513822 OFSWIGBMNRAMQG-UHFFFAOYSA-N 250.323 1.593 0 50 CDAA CCC1(CC)[C@H](NC(=O)Cn2ccnn2)[C@@H](C)[C@H]1OC 245615945 PMWJEUYWNBZQCO-RAIGVLPGSA-N 280.372 1.234 0 50 CDAA CCn1cc(S(=O)(=O)N[C@H](C)c2ccccc2)cn1 2804466 DYBPAHZCACHXGK-LLVKDONJSA-N 279.365 1.943 0 50 CDAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cncc(O)c1 2356158188 FBCPIRRLJRVVKY-HIFRSBDPSA-N 299.330 1.170 0 50 CDAA O=S1(=O)CCN2C=C(Cl)C=C(Cl)C2=N1 3268228 AWNQJXNSHICNNJ-UHFFFAOYSA-N 253.110 1.247 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 3865036 UFFAQFGECWPIEZ-SNVBAGLBSA-N 299.348 1.181 0 50 CDAA COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc(OC)c1O 4646383 RZIREYLLBTUPAS-RDDDGLTNSA-N 285.321 1.198 0 50 CDAA biogenic,in-vitro COc1ccc(-c2noc(CCC(=O)O)n2)c(OC)c1 6668174 UZPKEFJOYDDECF-UHFFFAOYSA-N 278.264 1.771 0 50 CDAA CCn1cnnc1C1CCN(C(=O)C[C@@H]2CCCO2)CC1 171587858 SLHQRWAOABMHJK-ZDUSSCGKSA-N 292.383 1.573 0 50 CDAA CCn1cncc1CNC(=O)c1c(C)cc(=O)oc1C 20638119 KQUVLDNMONBKCM-UHFFFAOYSA-N 275.308 1.403 0 50 CDAA COCc1ccc(C(=O)N[C@H]2CCCOC2)s1 20136187 YUGBWVCOQBPVPU-VIFPVBQESA-N 255.339 1.803 0 50 CDAA O=C(CCCOc1ccccc1)N1C[C@H](F)C[C@@H]1CO 347419092 WUYUDEJZGGFQRX-CHWSQXEVSA-N 281.327 1.777 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 67360436 POAIJACIHCQNLV-GFCCVEGCSA-N 288.351 1.989 0 50 CDAA COC(=O)/C=C1/Oc2cc(Cl)ccc2NC1=O 64864480 GNWOJSQUTUMOHN-WEVVVXLNSA-N 253.641 1.728 0 50 CDAA CCCN1CCC(Cc2noc([C@@H]3CCNC3)n2)CC1 67805549 ATJPBOYDYQJJNT-CYBMUJFWSA-N 278.400 1.811 0 50 CDAA CCNc1ccnc(NCc2cccnc2-n2cncn2)n1 65398249 DEDOQNIQWXOUIZ-UHFFFAOYSA-N 296.338 1.496 0 50 CDAA O=C(N[C@H]1CCCSC1)N[C@H](CO)Cc1ccccc1 119971913 JLCLVUONWUURLJ-KBPBESRZSA-N 294.420 1.785 0 50 CDAA COc1ccc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)O)C2CC2)cc1 252425994 RJVYWSREJYYNIO-BFHYXJOUSA-N 289.331 1.983 0 50 CDAA C[C@H]1CCCN(C(=O)CCNCCSc2cnn[nH]2)C1 65452851 UOQRBCBZNVJGKJ-NSHDSACASA-N 297.428 1.135 0 50 CDAA CCCC(=O)NC[C@@H]1CCCN([C@H]2CCCC[C@@H]2O)C1 252513054 XBULBUGNXGBABS-KKUMJFAQSA-N 282.428 1.918 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](n3cccn3)C2)cc1 63772507 ZXYORYRJJGRGBS-CYBMUJFWSA-N 291.376 1.827 0 50 CDAA COC(=O)c1nc(O)c(Br)cc1Cl 217048082 ULSMCUBUZZOFMC-UHFFFAOYSA-N 266.478 1.990 0 50 CDAA CN1CCN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1c1ncc[nH]1 328625023 KHAYWTNPHKVRGR-NSHDSACASA-N 293.758 1.520 0 50 CDAA CN1CCN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1c1ncc[nH]1 328625022 KHAYWTNPHKVRGR-LLVKDONJSA-N 293.758 1.520 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCSC1 328634333 MPHPFZDZVJYMLL-SRVKXCTJSA-N 267.398 1.828 0 50 CDAA Cn1nnnc1CN1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O 331478779 BXZYKRILTSJVJC-BZPMIXESSA-N 279.388 1.116 0 50 CDAA CN(C)C(=O)c1ccc(CN2CCO[C@H](C3CC3)C2)[nH]1 364507754 JCABMAVDYFDSBR-AWEZNQCLSA-N 277.368 1.327 0 50 CDAA CC(=O)Nc1nnc(SCCOCC(F)F)s1 240934386 JBSAQWHMWMHTMZ-UHFFFAOYSA-N 283.325 1.870 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)C(=O)c1ccc(Cl)cc1 155905800 WJEFONRLKAPFAK-SSDOTTSWSA-N 269.684 1.454 0 50 CDAA CCCc1nc(NC2CCNCC2)c2cnn(C)c2n1 72126597 HORDCVLBFCDHFG-UHFFFAOYSA-N 274.372 1.480 0 50 CDAA COC[C@H](NC(=O)c1cc(C)oc1C)c1ccnn1C 218901941 PHXVGZVJILPJLE-LBPRGKRZSA-N 277.324 1.747 0 50 CDAA Cc1c[nH]nc1CNC[C@@]1(N2CCOCC2)CCSC1 368688306 OLNYNPXWZIQRJI-AWEZNQCLSA-N 296.440 1.016 0 50 CDAA COC1(CO)CCN(c2ncnc3c(F)cccc23)CC1 444880712 XGDLRTBPOMCXHX-UHFFFAOYSA-N 291.326 1.747 0 50 CDAA CC(C)CSCCN=c1ccc2ncnc(O)c2[nH]1 603319327 HMPMWWVLZKWCOY-UHFFFAOYSA-N 278.381 1.953 0 50 CDAA 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CCO[C@@H]1C[C@@H](NC[C@@](C)(O)c2cnn(C)c2)C12CCC2 221720111 JEGUHUCJEBTTOZ-RBSFLKMASA-N 293.411 1.565 0 50 CDAA CCn1nncc1CNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@@H]21 1578367212 SREOBIBSEOJAOQ-FPMFFAJLSA-N 291.399 1.083 0 50 CDAA CCc1ccc(F)cc1C(=O)N[C@@H](C)CC(=O)O 630134008 ZJAMAHYVPUIMTG-QMMMGPOBSA-N 253.273 1.981 0 50 CDAA C[C@H](NC[C@H](C)[S@](C)=O)c1ccc2c(c1)OCO2 170062575 XHZGZIYQENGZDY-RAALSFIWSA-N 269.366 1.833 0 50 CDAA CCc1cccc(S(=O)(=O)N2CCN[C@H](C)C2)c1 187157584 CNRJWGMXCCUGPC-LLVKDONJSA-N 268.382 1.231 0 50 CDAA CCc1cnc(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[nH]1 635601182 WCPQUAUWWYEFAC-GDLCADMTSA-N 277.368 1.444 0 50 CDAA C[C@H]1CCSCCN1C(=O)N[C@H](C)C[S@](C)=O 189904129 NXQDLSNTZFXWON-KEYDSSBGSA-N 278.443 1.290 0 50 CDAA COC(=O)c1ccc2c(c1)CCN2Cc1cncn1C 191505315 AJFGXNVBSBYPMT-UHFFFAOYSA-N 271.320 1.769 0 50 CDAA C[C@H]1[C@@H](C)OCCN1c1nc(=N)[nH]c2c1CCCC2 645190716 NQARNTHFLNQRNH-VHSXEESVSA-N 262.357 1.382 0 50 CDAA FC1(F)C[C@H]2CN(CCn3cc(Cl)cn3)CCN2C1 645936128 DBTJTTSEKJYNAH-NSHDSACASA-N 290.745 1.562 0 50 CDAA C[C@@H](CO)N(C)c1nccc(N2CCCC(C)(C)C2)n1 656149689 JKJPKIQYEJSEFF-LBPRGKRZSA-N 278.400 1.920 0 50 CDAA Cc1nc(CN2CCCN(C[C@@H]3CCCO3)CC2)c(C)o1 659837818 HZOHAEQPIFBUTC-HNNXBMFYSA-N 293.411 1.978 0 50 CDAA Cc1nc(N)nc(N[C@@H]2C[C@H]3OCC[C@@H]23)c1Cl 1074562288 TWSFKZFWQWUHSY-XLPZGREQSA-N 254.721 1.610 0 50 CDAA CC[C@@H]1CN(C(=O)NCc2cnc(Cl)cn2)C[C@@H](C)O1 585137678 OGKVRUSFSYQZQZ-MWLCHTKSSA-N 298.774 1.839 0 50 CDAA C[C@H](CS(=O)(=O)N(C)C)Nc1cccc(C2CC2)n1 1875275134 DZHWOVVFXLNLFG-SNVBAGLBSA-N 283.397 1.651 0 50 CDAA CCn1ncc(C(=O)N(CCO)CC2CCCCC2)n1 1615540795 DWPKXEQCWNGIEK-UHFFFAOYSA-N 280.372 1.313 0 50 CDAA Cc1ccc(CNC(=O)c2cnn(CC3CC3)c2)n1C 1615588471 AJLAWOOUTPLZJC-UHFFFAOYSA-N 272.352 1.870 0 50 CDAA O=C(NCC1[C@@H]2CNC[C@@H]12)c1ccc(C(F)(F)F)cn1 1616038142 VPIJEIQGCUPKSB-RKDXNWHRSA-N 285.269 1.296 0 50 CDAA Cn1nc(NC(=O)C[C@H]2CCCO2)cc1C(F)(F)F 1647648418 SBJSTZZQBLAIJQ-SSDOTTSWSA-N 277.246 1.947 0 50 CDAA c1ccc(CN2CCN(c3ccccn3)CC2)nc1 278957 GAAUAZGCLFQROR-UHFFFAOYSA-N 254.337 1.799 0 50 CDAA COc1ccc(N(C)C(=O)c2cnc(C)n2C)cn1 824747822 FOOQWIDHFNYIDD-UHFFFAOYSA-N 260.297 1.409 0 50 CDAA CCOC(=O)[C@H](Cc1ccccc1)[N@@]1C[C@H]1C(=O)OC 1857666461 VYHXXEAMSGRODS-HEHGZKQESA-N 277.320 1.018 0 50 CDAA Cc1[nH]c(=N)[nH]c1C(=O)N[C@H](C)Cc1ccsc1 1857694494 PQYKPYWMJUFUET-SSDOTTSWSA-N 264.354 1.553 0 50 CDAA COCc1noc(CN(C)CCCc2c(C)n[nH]c2C)n1 1529159069 NEKCZXWXBYLCRV-UHFFFAOYSA-N 293.371 1.621 0 50 CDAA Cc1cnccc1N1CCCN(CCCC(=O)O)CC1 1529189290 KIGFCSDQWPGCKV-UHFFFAOYSA-N 277.368 1.767 0 50 CDAA CCN(CC)c1nc(N)cc(N(C)Cc2c[nH]nc2C)n1 1529182228 YFVIBILZXFUEPN-UHFFFAOYSA-N 289.387 1.573 0 50 CDAA CC(C)(C(=O)N(CCO)Cc1ncc[nH]1)c1ccccc1 1704303005 GZRJVDPVEFSHDY-UHFFFAOYSA-N 287.363 1.708 0 50 CDAA COc1ccccc1O[C@@H](C)C(=O)N1CCOCC1 8040645 SIYNFRZCAOOUCP-NSHDSACASA-N 265.309 1.321 0 50 CDAA Cc1ncc(CN(CCO)C(=O)C[C@@H]2CC2(F)F)[nH]1 1704311287 CQVLTNQFHZYNOQ-SECBINFHSA-N 273.283 1.084 0 50 CDAA CN1CCC[C@]2(C(=O)O)CCN(c3ccncc3F)C[C@@H]12 1704337779 DLCFSRFIRCXTGU-HIFRSBDPSA-N 293.342 1.596 0 50 CDAA Cc1cc(=O)oc2ccn(Cc3ccccn3)c(=O)c12 1547208764 ARDLRCPPPAZPRU-UHFFFAOYSA-N 268.272 1.706 0 50 CDAA CN(C)C(=O)N1CCN(C(=O)Nc2ccsc2)CC1 157620629 SHDDCIOHOKZTNR-UHFFFAOYSA-N 282.369 1.579 0 50 CDAA O=C(c1cc(-c2cccnc2)[nH]n1)N1CCc2nc[nH]c2C1 1565524763 UZXRPPNCJGDJCR-UHFFFAOYSA-N 294.318 1.393 0 50 CDAA CCCNC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 5030675 HMTQGDFMACELEA-CQSZACIVSA-N 292.335 1.723 0 50 CDAA C[C@H](O)C[C@@H]1CCCCCN1CCN1CCNC1=O 124196472 NXQXHEMSZNPDOO-STQMWFEESA-N 269.389 1.027 0 50 CDAA COCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 5050835 FGFHKXYVTCADGL-UHFFFAOYSA-N 278.352 1.189 0 50 CDAA CCc1cc(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)on1 14949910 GJEYTKIWJRJLMA-NSHDSACASA-N 293.367 1.614 0 50 CDAA O=C(c1c[nH]cn1)N1CCO[C@@H](Cc2cccc(F)c2)C1 15064974 IIONDCQSFOJKQN-ZDUSSCGKSA-N 289.310 1.633 0 50 CDAA O=C1C[C@H](N2CC2)C(=O)N1c1cccc(Cl)c1 2848662 KFRGYJUMBFZVCZ-JTQLQIEISA-N 250.685 1.288 0 50 CDAA CN1CCN(NC(=O)Cc2ccccc2Cl)CC1 2872756 ZGRMCDZLKUWYOJ-UHFFFAOYSA-N 267.760 1.161 0 50 CDAA Cc1cc(F)ccc1NS(=O)(=O)c1cn(C)nc1C 6742636 YUPYUXPSGQTBCL-UHFFFAOYSA-N 283.328 1.977 0 50 CDAA CS[C@@H](C)CNC(=O)[C@H]1NCCc2ccccc21 136172400 UMOVNOLSZYBACU-GWCFXTLKSA-N 264.394 1.741 0 50 CDAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCc1ccccc1 315136 AOHGIEMTQYNCBP-CHWSQXEVSA-N 259.305 1.970 0 50 CDAA CC1(C)CN(C(=O)c2onc3c2CCCC3)CC[C@H]1O 613800280 ZHJRXNFLRBASFB-GFCCVEGCSA-N 278.352 1.786 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]21 114021052 ICSLZBSYUJAPNS-ZSBIGDGJSA-N 261.277 1.586 0 50 CDAA in-vitro CN(Cc1nc(C2CC2)no1)C[C@@H]1CCc2nccn2C1 328648454 UOSPDAJHLFPQNB-NSHDSACASA-N 287.367 1.838 0 50 CDAA Cc1ccccc1[C@@H]1CCCN1C(=O)CCc1nn[nH]n1 630786420 ZSZBLQMEOCWVAW-ZDUSSCGKSA-N 285.351 1.804 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1cccc2c1CCOC2 639638022 NFGNJVADRRVRNX-OCCSQVGLSA-N 278.327 1.157 0 50 CDAA C[C@H](c1cccnc1)N1CCO[C@@H](Cn2ccnn2)C1 639861792 QXPKPPIPABWBLQ-TZMCWYRMSA-N 273.340 1.135 0 50 CDAA CCC(=O)N1CC[C@@H](NC(=O)Nc2ccc(OC)nc2)C1 128076463 KBFQTIBRQLIGTA-LLVKDONJSA-N 292.339 1.223 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cc[nH]c2)cnn1C 335674517 PZFMPHQTIBTECB-QWHCGFSZSA-N 274.324 1.317 0 50 CDAA Cc1cncc(CNC(=O)N[C@@H]2CCO[C@H]2C2CC2)c1 242292524 YMXMLNLQPOIIAY-KGLIPLIRSA-N 275.352 1.757 0 50 CDAA CCOCC1(C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1 242389425 ZXDJHEDVKZEFMS-UHFFFAOYSA-N 291.351 1.539 0 50 CDAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)[C@H]1COCCO1)C2 248328887 CFMXOGVGNIGCEW-YFCNSXCBSA-N 267.369 1.733 0 50 CDAA CCOCC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O 252482544 DIXXGZQXUMMZRH-FQUUOJAGSA-N 269.385 1.811 0 50 CDAA COc1ccc2oc(N3CCC[C@H](CC(N)=O)C3)nc2c1 570838068 JIESEFWOGVVMLX-SNVBAGLBSA-N 289.335 1.928 0 50 CDAA Cc1nc2c([nH]1)CC[C@H](C(=O)NCCc1nccs1)C2 162849946 DYFJIKCJSBAHGQ-JTQLQIEISA-N 290.392 1.638 0 50 CDAA Cc1[nH]nc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)c1C 900545415 APJBVNPLZXIRHP-INIZCTEOSA-N 298.346 1.423 0 50 CDAA CCc1cc(C(=O)N2CCC[C@]2(C)C(=O)O)no1 902106851 HPLGDOYWAIXRQL-GFCCVEGCSA-N 252.270 1.316 0 50 CDAA Cc1cc([C@H](C)N2CCCn3nncc3C2)oc1C(=O)O 903623290 NXNMHSZQYRIPBQ-JTQLQIEISA-N 290.323 1.845 0 50 CDAA O=C(NOC[C@H]1CCOC1)[C@@H]1CCc2cccnc21 819935025 PGMPRAAQWOKYKQ-CMPLNLGQSA-N 262.309 1.196 0 50 CDAA Cc1cnn(CC(=O)N2CCCc3ccnc(O)c32)c1 823780821 ZADOPNJZRXJNLB-UHFFFAOYSA-N 272.308 1.272 0 50 CDAA Cn1nc(C(=O)N[C@@H]2C=CCC2)c2ccccc2c1=O 855420772 XOOKAFKGFVXEPN-SNVBAGLBSA-N 269.304 1.382 0 50 CDAA CC1(C)Cc2ccccc2N1Cc1cn(CC(N)=O)nn1 864096558 FTNXEILNUFUPGK-UHFFFAOYSA-N 285.351 1.105 0 50 CDAA Cc1ncsc1CN(C)[C@@H]1C(=O)CC[C@@]1(C)O 952880133 JCUFZCYBNSBTRC-VXGBXAGGSA-N 254.355 1.366 0 50 CDAA CCN(C)C(=O)[C@]1(N(C)C)COc2ccccc2C1 952993654 JTOUKVQLPZYMBM-OAHLLOKOSA-N 262.353 1.400 0 50 CDAA O=C(NC[C@H](C(F)F)n1cccn1)c1cccnc1 1875295788 QNHOHCKVHMEULG-SNVBAGLBSA-N 266.251 1.514 0 50 CDAA CCCCN(OC)S(=O)(=O)c1ccc(C(=O)O)cc1 1875272541 AYRNKCOQWPTJLY-UHFFFAOYSA-N 287.337 1.737 0 50 CDAA CNC(=O)c1ccc(N2CCC(CF)CC2)cn1 1875387869 BHIYUPWALFTFNF-UHFFFAOYSA-N 251.305 1.627 0 50 CDAA CCN(C)c1ccccc1CNc1cc(C(N)=O)ncn1 881953318 QXKMMPMMCNFYIC-UHFFFAOYSA-N 285.351 1.644 0 50 CDAA CCO[C@H]1CCN(C(=O)c2coc3c2C(=O)NCCC3)C1 885323824 UVESWLRKYAUYMG-JTQLQIEISA-N 292.335 1.207 0 50 CDAA C/C(=C\C(=O)N1C[C@H](F)C[C@H]1C(N)=O)c1ccccc1C 886031210 HGPMWJFAGFAPNT-ATNYILSGSA-N 290.338 1.823 0 50 CDAA CC(C)(C(=O)N1CC[C@@H](C(F)(F)F)C1)S(C)(=O)=O 888009602 ILCJCOZBCHVTTN-SSDOTTSWSA-N 287.303 1.220 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2ocnc2C(=O)O)C1 958719510 JNJPAUJZTIVGAQ-UHFFFAOYSA-N 268.269 1.707 0 50 CDAA N[C@H]1CN(C(=O)c2n[nH]cc2C(F)(F)F)CC12CCC2 1775962331 FVZODKFZQSHCIB-QMMMGPOBSA-N 288.273 1.382 0 50 CDAA CO[C@@H]1CNC[C@H]1NC(=O)/C(C)=C/c1ccc(F)cc1 1775985798 MWTUNUVBFBPMCW-JRNZPDHYSA-N 278.327 1.332 0 50 CDAA O[C@@H]1C[C@@H]2CN(CCOCc3ccccc3)C[C@@H]2C1 1775981982 FMQJPQJSSKUMJV-MUJYYYPQSA-N 261.365 1.906 0 50 CDAA C[C@H](CN(C)c1nccc(C(C)(C)C)n1)C(=O)O 261582788 RIILUJIXCXEJMX-SECBINFHSA-N 251.330 1.931 0 50 CDAA Cc1ncsc1CN(C)C(=O)c1ccn(C)c(=O)c1 171685578 UGXJQZHBWJUBPZ-UHFFFAOYSA-N 277.349 1.422 0 50 CDAA COc1cccc(CN2CCN(c3nccs3)CC2)n1 171822802 BZPVMBDBGVEYEJ-UHFFFAOYSA-N 290.392 1.869 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2ccc(F)c(F)c2)C1 284728262 CYWFAYIPDFSXLJ-WDEREUQCSA-N 285.290 1.116 0 50 CDAA Cc1nscc1C(=O)N[C@H]1c2ccccc2C[C@@H]1O 181134402 MOUDDCRYCQQGDY-STQMWFEESA-N 274.345 1.840 0 50 CDAA Cc1ccccc1CCC(=O)NC[C@]1(O)CCCNC1 299773971 HAZGNKQTIGDOMH-INIZCTEOSA-N 276.380 1.158 0 50 CDAA C[C@@H](CC(F)(F)F)NCC1(CO)CCOCC1 90661832 HHMNFRMPTAVESW-VIFPVBQESA-N 255.280 1.706 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)c1cncc(O)c1)C1CC1 341720783 QCOGLFDSRKXHHH-LBPRGKRZSA-N 272.308 1.402 0 50 CDAA CCO[C@@H]1CCCN(C(=O)[C@@]23CCCC[C@@H]2NCC3)C1 912497159 AHRXSKCDYHSVTR-IJEWVQPXSA-N 280.412 1.936 0 50 CDAA COc1ccnc(NC[C@@H](C(=O)O)C2CCOCC2)n1 863734462 QQTFCPYSZUTAGN-SNVBAGLBSA-N 281.312 1.025 0 50 CDAA Cc1c(CN(C)C(=O)c2cnc(N)c(Cl)c2)cnn1C 2325738607 JOQRLZSWLVHKES-UHFFFAOYSA-N 293.758 1.631 0 50 CDAA CCOc1ccc(C2=CCN(C(=O)CN)CC2)cc1 2325795401 DJDNTHCXEPENMQ-UHFFFAOYSA-N 260.337 1.660 0 50 CDAA Cn1nc(CNC[C@]2(CO)CC2(C)C)cc1C1CC1 2325797418 QPHMZJRQPRCHAL-HNNXBMFYSA-N 263.385 1.796 0 50 CDAA CCN(C[C@@H](C)c1nn[nH]n1)C(=O)c1cc2cccn2cn1 2325808947 CCGHYUKESWZSKP-SNVBAGLBSA-N 299.338 1.113 0 50 CDAA Cc1ncncc1-c1ccc2c(c1)C(=O)NCCO2 2325861146 GYJNRVBWHKNNEO-UHFFFAOYSA-N 255.277 1.574 0 50 CDAA CC(C)C[C@H](N)C(=O)Nc1ccc(O)c(C(=O)O)c1 4652409 QCKUWYZMKKYXKQ-JTQLQIEISA-N 266.297 1.402 0 50 CDAA CCOC(=O)NCCC(=O)N[C@@H](CO)c1ccsc1 225390281 UXGRGOUUFRYQEV-JTQLQIEISA-N 286.353 1.034 0 50 CDAA C[C@@H](C(=O)NS(C)(=O)=O)c1cc2ccccc2o1 176511802 UCFNVSPLGIUJFY-MRVPVSSYSA-N 267.306 1.612 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCNC2)C1(C)C 246853307 UASFHPXVZIJZAP-RWMBFGLXSA-N 268.401 1.648 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1nccs1 100898349 AMVFGSQRSDNNNF-AATLWQCWSA-N 260.318 1.845 0 50 CDAA CC[C@@H](COC)NC(=O)c1c[nH]c(=O)c2ccccc12 102537950 ZIYVRTYUZDMTID-JTQLQIEISA-N 274.320 1.683 0 50 CDAA Cc1cc(CNc2nc(N)nc3ccc(C(=O)O)cc23)n[nH]1 67714843 YUXNVNHFRRYEBM-UHFFFAOYSA-N 298.306 1.554 0 50 CDAA CCCn1cnnc1CNc1nccc(NCC)n1 65381412 IYTSGVZGBKYWCF-UHFFFAOYSA-N 261.333 1.522 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)O)C2 307649618 GQCZZFHNRXMYDE-AEJSXWLSSA-N 253.298 1.883 0 50 CDAA CCn1ncnc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC 331626162 NXWXNILZSDLPTC-MCIONIFRSA-N 294.399 1.314 0 50 CDAA Cn1nncc1CN1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O 331659069 STJKEUCJUXJLGE-ZNMIVQPWSA-N 278.400 1.721 0 50 CDAA Cc1cc2c(c(-c3cnc(N)cn3)c1)O[C@H](CN)C2 67756095 MNFZTJQAEKUSIP-JTQLQIEISA-N 256.309 1.296 0 50 CDAA CCc1ccc(CN(CCOC)C(=O)CNC(C)=O)cc1 65526461 IPVAJRBKSYZQAY-UHFFFAOYSA-N 292.379 1.360 0 50 CDAA Cn1ncc(Br)c1C(=O)NCc1ccncc1 376022 NVHIVYIMNYKFMW-UHFFFAOYSA-N 295.140 1.508 0 50 CDAA CCOC(=O)CNC(=O)N[C@@H](C)Cc1ccccc1 19299957 QDLSGBNUAFMRDX-NSHDSACASA-N 264.325 1.480 0 50 CDAA CCOCC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72151554 JFMAIEGTWDDITQ-MRXNPFEDSA-N 288.347 1.535 0 50 CDAA N[C@@H]1CCCN(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)C1 333276261 LLZVLIQFBATKAS-XDQVBPFNSA-N 263.385 1.721 0 50 CDAA CCc1nc(NCCc2c[nH]cn2)c2cnn(C)c2n1 72142148 OPYZWGXDBPVWLI-UHFFFAOYSA-N 271.328 1.303 0 50 CDAA COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCN)C2)cc1 237229014 NBZOFMLOEAHIBZ-WCQYABFASA-N 262.353 1.748 0 50 CDAA CC(=O)N1CC[C@](C)(c2nc(CCc3ccco3)no2)C1 363998777 XBUHPOISWULWTL-HNNXBMFYSA-N 289.335 1.958 0 50 CDAA O=C(Cn1cnc(-c2ccccc2)c1)NC[C@@H]1CCCO1 1364301706 ILKAYAQJOZGLKX-AWEZNQCLSA-N 285.347 1.845 0 50 CDAA Cc1cc(C)c(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)o1 237801808 FPWNRZLVUNDVLW-LBPRGKRZSA-N 295.335 1.992 0 50 CDAA COc1cncc(N)c1I 35270306 SCHIBSNVRCPAFQ-UHFFFAOYSA-N 250.039 1.277 0 50 CDAA Cn1nnnc1CN[C@H]1c2ccccc2CC12CCOCC2 368083020 IAMYUHOTHLUEJQ-HNNXBMFYSA-N 299.378 1.394 0 50 CDAA Cc1nc2c(c(NCCCOc3cccnc3)n1)CNC2 72154978 BCPBZPGAMACCMW-UHFFFAOYSA-N 285.351 1.664 0 50 CDAA CC(C)(C)c1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)[nH]n1 368749468 FHCGRMFUVYTXGY-LLVKDONJSA-N 263.341 1.304 0 50 CDAA Cc1cc(C)n2nc(SC[C@@H]3CCC(=O)O3)nc2n1 521394544 RQBKNZSIRPYTQD-VIFPVBQESA-N 278.337 1.539 0 50 CDAA CCOC(=O)c1nccc(N2C[C@H](C3CC3)O[C@H](C)C2)n1 521394969 IXDYCECGUVVANL-ZYHUDNBSSA-N 291.351 1.657 0 50 CDAA CC(C)(O)CCc1cccc(C(=O)N2CCC(O)CC2)c1 72409698 OJDYPOSAHKVFFV-UHFFFAOYSA-N 291.391 1.987 0 50 CDAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cc(C)on1 77504774 CHHXYLPNTFPVJQ-NSHDSACASA-N 280.324 1.931 0 50 CDAA Cc1nn(C(=O)[C@@H]2CCCOC2)c2cc(N)ccc12 241897406 TYMBUBQMAXBOAV-SNVBAGLBSA-N 259.309 1.994 0 50 CDAA CCn1ncnc1CN1CCC[C@H]1c1n[nH]c(C)n1 215893013 VOIHGGQYCMQJRX-JTQLQIEISA-N 261.333 1.062 0 50 CDAA Cc1occc1C(=O)N1CCC[C@@]2(CC1)CNC(=O)O2 72163013 GPWJBBYWANMUIF-CQSZACIVSA-N 278.308 1.693 0 50 CDAA Cc1ncoc1C(=O)N1CCCC[C@H]1CCC(=O)O 159341195 VHIAMENYSBUBKZ-JTQLQIEISA-N 266.297 1.843 0 50 CDAA CNC(=O)Cn1cc(NC(=O)c2c[nH]c3ccccc23)cn1 48383427 AJXUABKSABFMDW-UHFFFAOYSA-N 297.318 1.363 0 50 CDAA COc1cccc(C(=O)N2CCn3cncc3C2)c1C 72150365 WQYDYTDWVKUGGT-UHFFFAOYSA-N 271.320 1.856 0 50 CDAA COCC1(C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)CCC1 285289001 NUVANBYAQDJAOM-CYBMUJFWSA-N 293.367 1.137 0 50 CDAA CC[C@@H](NC(=O)c1cc(CO)ccn1)c1cnn(C)c1 220218393 IGXDKXDSENNFJP-GFCCVEGCSA-N 274.324 1.189 0 50 CDAA O=C(NCc1ccon1)[C@@H]1COc2ccccc2C1 81063032 XHBXNRZXNCXCHV-NSHDSACASA-N 258.277 1.542 0 50 CDAA Cn1nccc1C1CCN(C(=O)CC[C@@H]2CCOC2)CC1 176114488 ZEXRWLRGUCDHSV-CYBMUJFWSA-N 291.395 1.943 0 50 CDAA CC[C@@H](C)[C@@H](NC(=O)c1cccc(F)n1)C(=O)O 131010679 VBOIPLUGDOTXAH-GMSGAONNSA-N 254.261 1.450 0 50 CDAA C[C@@H](CNC(=O)c1ccc(=O)[nH]c1)N(C)c1ccccc1 46949987 IAXGLCFUPDOBAH-LBPRGKRZSA-N 285.347 1.630 0 50 CDAA CC(C)(C)OC(=O)NC12CCC(CO)(CC1)OC2 222558714 VOSMWHBBQKVJPH-UHFFFAOYSA-N 257.330 1.585 0 50 CDAA Cc1nnnn1-c1cccc(NC(=O)[C@@H]2CCCO2)c1 134299921 QKRDEDVWJNGPDI-LBPRGKRZSA-N 273.296 1.088 0 50 CDAA CC[C@@H](NC(=O)Cc1cc(C)no1)c1cn2cccnc2n1 221306215 IPRFOCPDNFGAIZ-GFCCVEGCSA-N 299.334 1.836 0 50 CDAA COCCC[C@@]1(CO)CCCN(C(=O)CC(F)(F)F)C1 91997149 VRPRTMQXNIDMAH-LBPRGKRZSA-N 297.317 1.967 0 50 CDAA COCc1cc(C2CN(C(=O)[C@H]3OCC[C@H]3C)C2)no1 1857528138 NMIQLFZPIBFGCQ-RNCFNFMXSA-N 280.324 1.172 0 50 CDAA CC=CCS(=O)(=O)[C@@H](C)C(=O)N1CCC(C)CC1 1857532110 CSJDFLGUXJUODS-LBPRGKRZSA-N 273.398 1.624 0 50 CDAA O=C(NCc1cc(F)c(F)cc1F)[C@@H]1CCOC1 97413286 WENZBTHTLDRMHR-SSDOTTSWSA-N 259.227 1.757 0 50 CDAA Cc1cnccc1CN1C[C@@]2(CCOC2)CCC1=O 91974168 NXYDTLHDLGSFBE-HNNXBMFYSA-N 260.337 1.919 0 50 CDAA CCc1ncc(C(=O)N(C)Cc2nccn2CC)cn1 95391530 GXVOTNBASPLEGS-UHFFFAOYSA-N 273.340 1.528 0 50 CDAA Cc1cn(CCNC(=O)c2cc(Cl)cn2C)nn1 1857691234 BHFFIBQRYIFNRC-UHFFFAOYSA-N 267.720 1.008 0 50 CDAA CN1CC2(CCC1=O)CCN(c1nccs1)CC2 91997625 HZASZUYERFLHAM-UHFFFAOYSA-N 265.382 1.982 0 50 CDAA CCC(CC)(CN)C(=O)NC[C@@H](O)c1ccccc1C 236675879 HLBBJSFCSZBAGT-CQSZACIVSA-N 278.396 1.910 0 50 CDAA CNc1nc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cs1 91254789 SUQQSXYKXFWXIA-WDEREUQCSA-N 281.381 1.727 0 50 CDAA CC(C)c1cc(N2CC[C@]3(CN(C)C(=O)O3)C2)nc(N)n1 95360442 UDFAFMOZNJPAMQ-AWEZNQCLSA-N 291.355 1.213 0 50 CDAA c1cnc2nc(-c3nc([C@@H]4CCOC4)no3)cn2c1 96149782 GTDFWWZXOHXFPL-MRVPVSSYSA-N 257.253 1.283 0 50 CDAA CCCN(Cc1nccn1C)[C@H](C)C(=O)N1CCCC1 244873281 WNHRXXZSBRPEBT-CYBMUJFWSA-N 278.400 1.643 0 50 CDAA C1=C[C@@H]2[C@H]3[C@H]4[C@@H](C=C[C@H]4C24OCCO4)C2(OCCO2)[C@@H]13 257358485 USURGVHPVPDANX-YOVYLDAJSA-N 274.316 1.337 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CO)[C@@H](O)c1cccnc1 536953437 JMZIPTNZXSFSBX-MNOVXSKESA-N 268.313 1.001 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 299797570 OFEGXTYDPZNJGZ-CQSZACIVSA-N 273.332 1.725 0 50 CDAA CCc1ocnc1C(=O)N1CC[C@@H](c2nc(C)no2)C1 299800292 VOQGGTZRAUICPM-SECBINFHSA-N 276.296 1.558 0 50 CDAA CN(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC23CC3)cc1 643307827 PWJPIAGCBFWZJH-ZDUSSCGKSA-N 287.363 1.925 0 50 CDAA O=C1CCCCN1CCCC(=O)N1CCCC[C@H]1CO 828710802 GJMDDNGEYGLASM-ZDUSSCGKSA-N 282.384 1.153 0 50 CDAA Cc1ocnc1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1 828215495 VHSWKSCJAZBPHG-UHFFFAOYSA-N 286.251 1.541 0 50 CDAA C[C@@H](NC(=O)CN1CCCN(C)CC1)C1=CCCCC1 823778354 JIOXDKODKQYXIU-CQSZACIVSA-N 279.428 1.629 0 50 CDAA COCC(=O)Nc1ccc(N2C(=O)CC[C@H]2C)cc1 824313171 SBIMSJPEZXDBMU-SNVBAGLBSA-N 262.309 1.787 0 50 CDAA CCc1nc(CNC(=O)Cc2sc(=N)[nH]c2C)cs1 584902804 KFSMHDXEADWUNY-UHFFFAOYSA-N 296.421 1.742 0 50 CDAA CC(=O)N1CCC(CNC2CSCCSC2)CC1 584884703 YUYZYKJHLQRNNJ-UHFFFAOYSA-N 288.482 1.683 0 50 CDAA CCC(CC)C(=O)N1CCOC[C@H](CN(C)C)C1 670453954 QFVBPWYMXOLKBN-GFCCVEGCSA-N 256.390 1.459 0 50 CDAA COc1ccc([C@@H](C)NC(=O)N(C)CCC(N)=O)cc1C 670437691 KVJRLMUFMSRHAM-LLVKDONJSA-N 293.367 1.581 0 50 CDAA CCO[C@@H](CC)CNC(=O)N(C)Cc1ccon1 584893506 GPUZEDKVLKIVJN-NSHDSACASA-N 255.318 1.631 0 50 CDAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)c1c[nH]c(=N)s1)C2 584895458 ZGQOYLJEHRDOFJ-UWVGGRQHSA-N 280.397 1.112 0 50 CDAA Cc1c[nH]c(C(=O)NC[C@H]2CC[C@H](CO)CC2)n1 584886659 FCZZFLNBOYGCRL-XYPYZODXSA-N 251.330 1.247 0 50 CDAA NC(=O)Cc1nc(C2CCC2)n(-c2ccccc2F)n1 670445951 GYPZKHHMXJPYPC-UHFFFAOYSA-N 274.299 1.702 0 50 CDAA NC(=O)Cc1n[nH]c(CCCc2ccc(Cl)cc2)n1 670462258 ZLVYUXBBTXMYGI-UHFFFAOYSA-N 278.743 1.661 0 50 CDAA CCNC(=O)NC(=O)CN1CC[C@H]2CCCC[C@H]2C1 242389255 ZVNGGNLCNZEFBK-NEPJUHHUSA-N 267.373 1.344 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)c1cccnc1N1CCCCC1 269091341 UEYOBKSBQWESFR-NSHDSACASA-N 291.351 1.617 0 50 CDAA CCOC(=O)Cc1nc2cc(C)c(C)cc2[nH]c1=O 16971399 DBBDYCMKXHOLPA-UHFFFAOYSA-N 260.293 1.646 0 50 CDAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 269172513 JUTKEDZZCQGLRF-NILFDRSVSA-N 276.355 1.997 0 50 CDAA CC(C)(C)c1cc(CNCCN2CCCC[C@@H]2CO)[nH]n1 952972820 UTWDJJJCPDMNLM-CQSZACIVSA-N 294.443 1.644 0 50 CDAA CCCn1cc(C(=O)N(C)C[C@@H]2CCOC2)c(C)n1 952978265 QEDKGFJOTKOFLU-LBPRGKRZSA-N 265.357 1.710 0 50 CDAA N[C@H]1CCN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1O 1565511333 RDUBEZHMWLMHOV-GJZGRUSLSA-N 290.338 1.980 0 50 CDAA Oc1nccnc1N1CCC[C@H](NCc2cccnc2)C1 275707213 XYPWMDYVESKUDD-ZDUSSCGKSA-N 285.351 1.336 0 50 CDAA CCOC(=O)[C@@H]1CC(=O)CN(C(=O)OC(C)(C)C)C1 91692684 RIOIEBYUBPFLOY-SECBINFHSA-N 271.313 1.376 0 50 CDAA in-vitro CO[C@@H](CNC(=O)c1csc(=O)[nH]1)C(C)(C)C 170597886 NOCVMZZNSIPVOK-QMMMGPOBSA-N 258.343 1.227 0 50 CDAA Cn1c(=O)oc2cc(NC(=O)CC(C)(C)C(=O)O)ccc21 170627457 YEDOFLSLUVYIBG-UHFFFAOYSA-N 292.291 1.571 0 50 CDAA COC(CN1CCO[C@@H](c2cccc(F)c2)C1)OC 170602733 XOOCCXDDGMABGU-CYBMUJFWSA-N 269.316 1.818 0 50 CDAA CC(=O)NC(=O)CN(C)CCCOc1ccccc1 408524076 XKDZEAFDTZIAOB-UHFFFAOYSA-N 264.325 1.050 0 50 CDAA Cc1ccc2ncc(CN3CCC[C@]34CCOC4=O)n2c1 190032446 JKJXLTGKJAGVKX-MRXNPFEDSA-N 285.347 1.924 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc[nH]c1C(C)C 644060183 NMNIGIHTXMPXNX-HNNXBMFYSA-N 293.367 1.245 0 50 CDAA Cc1csc(C(C)(C)NC(=O)CC[C@@H](C)N)n1 193302069 DIVOSWDQZWFLTL-MRVPVSSYSA-N 255.387 1.930 0 50 CDAA CN(C)Cc1ccccc1C(=O)N[C@H]1CCCn2ncnc21 567940136 NDUJNHFUXBQEIU-AWEZNQCLSA-N 299.378 1.605 0 50 CDAA COc1ncc(CN(C)[C@H](C)C(=O)O)cc1Cl 574703251 BBPOBETWLSMTKA-SSDOTTSWSA-N 258.705 1.649 0 50 CDAA O[C@@]1(Cn2ccnn2)CCN(c2nc3ccccc3o2)C1 671467288 VYKGTVKAUIAQEK-AWEZNQCLSA-N 285.307 1.061 0 50 CDAA CCc1nc(=NCC[S@@](=O)C(F)(F)F)s[nH]1 585092755 MOQJQMGOBMHKMF-MRXNPFEDSA-N 273.305 1.203 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@@H](N(C)C)C2(C)C)ns1 585130414 PKTBUHZHECDVIO-GHMZBOCLSA-N 267.398 1.910 0 50 CDAA CN1CCN(C(=O)c2cccn2C)C[C@@H]1C(C)(C)C 585130646 XMGJQNJPZRJNOT-CYBMUJFWSA-N 263.385 1.827 0 50 CDAA O=C(O)C[C@@H](NC(=O)c1cscn1)C(F)(F)F 829367120 HOLONVCPCAVACW-RXMQYKEDSA-N 268.216 1.279 0 50 CDAA CCc1cnc(O)c(C(=O)N2C[C@H](N)C3(CCC3)C2)c1 1615555324 RELJJKSUNQNKEC-LBPRGKRZSA-N 275.352 1.303 0 50 CDAA O=C(O)CN1CCCC[C@@H](Nc2ncccc2F)C1=O 1616034906 DDJSFLXGQLSLQM-SNVBAGLBSA-N 281.287 1.098 0 50 CDAA Cc1nnsc1[C@H](C)ONC(=N)COC(C)C 1616183635 ASLKYBSAEYANRN-QMMMGPOBSA-N 258.347 1.831 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)Nc2cccc(F)c2)[C@H]2CC[C@H]1O2 104318073 OASYZVWDOZKCAW-DDHJBXDOSA-N 279.267 1.642 0 50 CDAA CCc1nccn1C[C@@H](C)NCc1cn2c(n1)SCC2 1506404908 VYOWZGCUCFLLOJ-LLVKDONJSA-N 291.424 1.926 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@@H](C)c2ccc(F)cc2F)n1 1506400420 MSMQIFNLZAGSQY-VIFPVBQESA-N 294.305 1.929 0 50 CDAA COc1cnc(N(C)CCN(C)C2CCCC2)nc1 1529172285 BYGJCGIEMJYKPM-UHFFFAOYSA-N 264.373 1.796 0 50 CDAA CCCc1cc(CNc2cc3nncn3c(N)n2)on1 1529158510 DONBTPPRLVKVNR-UHFFFAOYSA-N 273.300 1.259 0 50 CDAA C[C@H](c1ccncc1)N(C)C(=O)c1cccc(=O)[nH]1 227880569 DRFHDNOLJGHVDW-SNVBAGLBSA-N 257.293 1.603 0 50 CDAA COc1ccc(Cl)cc1Cn1c(=O)c(C)cn(C)c1=O 408525075 JXUTWOBHCCSXGW-UHFFFAOYSA-N 294.738 1.566 0 50 CDAA CN(C(=O)c1n[nH]cc1Cl)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704303318 HBNZOFTVIHRNOP-HRDYMLBCSA-N 296.758 1.050 0 50 CDAA O=C(O)C1(n2nnc([C@H]3CCCCS3)n2)CCCC1 1875280647 GOZLBYBFRKQISQ-SECBINFHSA-N 282.369 1.985 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1ccc2c(c1)OCO2 1775979764 MIPRGQLGSLJNBA-UHFFFAOYSA-N 296.286 1.617 0 50 CDAA C[C@@H](NC(=O)c1c(O)cccc1F)c1nnc(N)s1 1772809663 BXMCVRIJZDZVNP-RXMQYKEDSA-N 282.300 1.456 0 50 CDAA CC[C@]12C[C@@H]1CN(c1cc(-n3cccn3)ncn1)C2 1772805607 QLJWZUHMPMHAGS-BXUZGUMPSA-N 255.325 1.899 0 50 CDAA COc1nc(N[C@H](CC(C)C)c2ncnn2C)ncc1F 1772703399 KXUYINXGNMAXLJ-SNVBAGLBSA-N 294.334 1.952 0 50 CDAA CCOc1cc(CN2CCN(CC)CC2)ccc1O 19536114 HLPQNZPNVABEOT-UHFFFAOYSA-N 264.369 1.928 0 50 CDAA CCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)O)c1 12138834 IYTWZFZXENEIDE-UHFFFAOYSA-N 292.335 1.972 0 50 CDAA O=C(O)c1sc(Cl)cc1S(=O)(=O)N1CCCC1 15084431 VWDPRKOFQZXVLJ-UHFFFAOYSA-N 295.769 1.884 0 50 CDAA CCOc1cc(CN2CCOCC2)ccc1OC 19634975 VKJUBRHFPVXPEV-UHFFFAOYSA-N 251.326 1.926 0 50 CDAA Cc1c[nH]c(-c2nc(-c3c(C)ncc4c3CCNC4)no2)n1 19839314 HKPGQQUEZXLSIE-UHFFFAOYSA-N 296.334 1.784 0 50 CDAA Cc1nnc(SCC(=O)Nc2ccccn2)o1 4661471 LXIWMSMMCNLVMR-UHFFFAOYSA-N 250.283 1.504 0 50 CDAA Cc1ccc(C(=O)NCCCNC(=O)c2ccncc2)cc1 4487330 ZAILVIHFHOUXBU-UHFFFAOYSA-N 297.358 1.940 0 50 CDAA COc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1C 6667529 KMVYGYZLCYJKNI-ZDUSSCGKSA-N 262.353 1.701 0 50 CDAA N=c1[nH]nc(N2CCC[C@@H](C(=O)c3ccccn3)C2)s1 1857673890 NCTUKDYHVAITRL-SECBINFHSA-N 289.364 1.445 0 50 CDAA O=C(O)CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2560796 SFOMJKAHGVQMPU-NSHDSACASA-N 295.291 1.621 0 50 CDAA in-vitro COC[C@@H](C)N[C@H](c1nc(C)no1)C1CCOCC1 328634846 UICHIUPJSXRLMU-SKDRFNHKSA-N 269.345 1.470 0 50 CDAA Cc1noc([C@H]2C[C@H](O)CN2c2ccnc(C(C)C)n2)n1 328613397 RXWLTYYFTHXFMY-WDEREUQCSA-N 289.339 1.604 0 50 CDAA Cc1ccc(CC(=O)N2CC[C@@H](N)C[C@@H]2C)s1 237598144 VXJZTWYFSPUYGV-GXSJLCMTSA-N 252.383 1.937 0 50 CDAA NC(=O)NC(=O)CCN1CCC[C@@H]1/C=C/c1ccccc1 241942311 ULNHNVOVNWBCEQ-CQSZACIVSA-N 287.363 1.749 0 50 CDAA O=C1[C@@H]2CC[C@@H](CN(Cc3nccs3)C2)N1CC1CC1 248002400 RDZZXUKKQKYQQV-OLZOCXBDSA-N 291.420 1.976 0 50 CDAA C[C@@H]1[C@@H](NC(=O)CN(C)[C@@H](C)C(=O)O)CCC[C@H]1C 251882482 RGSJZPNCXTWJLY-RHYQMDGZSA-N 270.373 1.332 0 50 CDAA Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 20204017 HOXZNJCQIUDIGI-MRVPVSSYSA-N 260.322 1.641 0 50 CDAA in-vitro COC[C@H](N)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 262319342 QDJMGYITGZKQRO-OQPBUACISA-N 284.306 1.384 0 50 CDAA COC(=O)c1cc(O)ccc1N1C(=O)c2ccccc2C1=O 585138752 SGTOMJCNLUSFMG-UHFFFAOYSA-N 297.266 1.979 0 50 CDAA CCc1nsc(N2CCN(c3nccc(C)n3)CC2)n1 266206942 LDVVITSNLQVOFP-UHFFFAOYSA-N 290.396 1.526 0 50 CDAA CCc1ccc([C@@H]2COCCN2C[C@@H]2C[C@H]2C(=O)O)o1 903891146 JSGPGMWMBURESV-UHTWSYAYSA-N 279.336 1.936 0 50 CDAA COc1ccnc(N2CC(c3ncc(C4CC4)cn3)C2)n1 824835741 MIXBLQWSVIWYSX-UHFFFAOYSA-N 283.335 1.756 0 50 CDAA CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccnc2ccnn12 934982729 YQJGXZXBHVHTAD-LKFCYVNXSA-N 287.323 1.418 0 50 CDAA Cn1nc(C(=O)N[C@H]2C=CCC2)c2ccccc2c1=O 855420770 XOOKAFKGFVXEPN-JTQLQIEISA-N 269.304 1.382 0 50 CDAA O=C(O)[C@H]1COCCN1Cc1cc(C2CCC2)on1 1875283669 ZQSBQFDVZDPZQG-LLVKDONJSA-N 266.297 1.228 0 50 CDAA O=C(NC[C@@H]1CCS1)c1cc(O)nc(C2CC2)n1 1875270124 WJEBRXOKOVRJPN-QMMMGPOBSA-N 265.338 1.295 0 50 CDAA Cc1nc([C@H]2CCCNC2)sc1C(=O)N[C@H](C)C(=O)O 1875291226 RVQIZYSRGSHBJZ-BDAKNGLRSA-N 297.380 1.121 0 50 CDAA CC[C@@H](O)Cn1cc(-c2nc(-c3ccsc3)no2)nn1 1875274964 HLOXUWFDORVBBV-SECBINFHSA-N 291.336 1.828 0 50 CDAA O=C(NCCc1cncs1)c1cc(O)nc(C2CC2)n1 1875268748 HHMVFMALBHEQIO-UHFFFAOYSA-N 290.348 1.489 0 50 CDAA C[C@@H]1[C@@H](NC(=O)/C=C/CN(C)C)CC[C@H](CO)C1(C)C 1875377007 PPRSBYFDBNATKL-MMIXHICJSA-N 282.428 1.654 0 50 CDAA c1cc(OC[C@H]2C[N@]2C2CCC2)cc(-n2cncn2)c1 1875379729 VLKIWRGFVHDTCN-RDTXWAMCSA-N 270.336 1.883 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)Cc1cncc3ccccc13)C2 1775961170 DWIODRKFYFTMBD-YOEHRIQHSA-N 281.359 1.727 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N2CCCc3n[nH]cc32)c1 898785864 JHYCBHLKOCQSMH-UHFFFAOYSA-N 296.334 1.442 0 50 CDAA CO[C@@H](C)C1=NN(c2ccc(C(F)(F)F)nn2)C(=O)C1 899351842 SYOHIUIVUSQMNK-LURJTMIESA-N 288.229 1.623 0 50 CDAA OC1CCN(Cc2cn(Cc3cccs3)nn2)CC1 899681586 APFDDFQHVLUADJ-UHFFFAOYSA-N 278.381 1.345 0 50 CDAA CSCCN1CCN(Cc2cccc(C(=O)O)c2)CC1 252489453 JRGMTCMNJSGBAS-UHFFFAOYSA-N 294.420 1.865 0 50 CDAA Cc1cccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)c1F 262411699 LNLFJFVHRXWPPJ-NSHDSACASA-N 289.328 1.522 0 50 CDAA C[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)C(=O)O 263473999 YQUYTCPAQGKLFG-RXMQYKEDSA-N 262.187 1.303 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cccc(C)c2Cl)C1 630254703 XSYRYAZIJOUCPP-AWEZNQCLSA-N 297.738 1.964 0 50 CDAA CN(CCn1cnnc1)Cc1noc(C2CCC2)n1 670459603 LQOLKODVXNUUKU-UHFFFAOYSA-N 262.317 1.061 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)COC1CCCCC1 377572858 VBFMDANOWIPNOT-LLVKDONJSA-N 285.340 1.038 0 50 CDAA CCc1nnc2n1CCN(C(=O)OC(C)(C)C)C2 732226864 FVRGAQSNLVCYJL-UHFFFAOYSA-N 252.318 1.591 0 50 CDAA CCc1cccc(NC(=O)c2ccc(=O)n(C)c2)n1 2100544730 HBKQMRRWGXLLRG-UHFFFAOYSA-N 257.293 1.595 0 50 CDAA O=C(NCCn1cccc1)c1ccnn1CC1CC1 2325779609 RNUFJBQOIHRBSN-UHFFFAOYSA-N 258.325 1.525 0 50 CDAA COc1cc(CCNC2=NCCCCN2)ccc1C 849215901 KACLJIXUZTUFMD-UHFFFAOYSA-N 261.369 1.875 0 50 CDAA CN(C[C@H](O)CN)C[C@H](O)c1ccc(Cl)cc1Cl 923365844 GXBNYRLBQDQCML-SKDRFNHKSA-N 293.194 1.278 0 50 CDAA CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NN=NC2=N1 71512 IXAIDHXZAWDPNE-JTQLQIEISA-N 290.714 1.697 0 50 CDAA CC(C)Nc1nc(Cl)nc(N2CCOCC2)n1 227288 VDPCEFVQYYXWDY-UHFFFAOYSA-N 257.725 1.182 0 50 CDAA COc1ccc(S(=O)(=O)C(F)(F)F)cc1N 344687 PLESGWQBPARRQO-UHFFFAOYSA-N 255.217 1.571 0 50 CDAA Cc1nc(-c2cc(-c3ccccc3F)[nH]n2)n(CCO)n1 2356140018 QFHCFUKXNJLZNL-UHFFFAOYSA-N 287.298 1.775 0 50 CDAA Cc1nc(C)c(-c2nnc3n2[C@@H](C)C(=O)N2CCC[C@@H]32)o1 2356143466 IVFVBUXVRAVRBR-WPRPVWTQSA-N 287.323 1.788 0 50 CDAA O=C(O)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 6505527 FBVNKQODFQWCAI-SSDOTTSWSA-N 257.648 1.917 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NCCn2cncn2)c(C)c1 8714452 DZOROHNYWXIFAI-UHFFFAOYSA-N 294.380 1.182 0 50 CDAA Cc1cc(N2C(=O)[C@H]3C[C@@H](C)CCN3C2=O)n(C)n1 225453532 MWEIXLUFTKVFLH-WCBMZHEXSA-N 262.313 1.296 0 50 CDAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2nnc(C)o2)c1 225729003 ZLKSIBREVOINSV-TZMCWYRMSA-N 289.335 1.695 0 50 CDAA CC(C)N1CCC[C@H](N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1=O 227371207 YEFUXWQIHPWZMQ-KBXIAJHMSA-N 280.412 1.933 0 50 CDAA Cc1ccc(NCCNC(=O)c2ccccc2)nn1 57792069 XZKPBHBMGMRBLI-UHFFFAOYSA-N 256.309 1.627 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2ncc(Cl)cc2Cl)C1 310111825 FUMJBURECPPKKL-IUCAKERBSA-N 277.151 1.974 0 50 CDAA CCOC(=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 117662124 ZASZQVNDVYRJDU-JTQLQIEISA-N 273.329 1.576 0 50 CDAA Nc1nnc(CCNC(=O)c2onc3ccccc23)s1 67785552 RFALDFYIODQEFH-UHFFFAOYSA-N 289.320 1.234 0 50 CDAA COCCc1nc(CN[C@@H](CCO)c2ccccc2)no1 351577307 FDBXHIUVHGJHGE-ZDUSSCGKSA-N 291.351 1.472 0 50 CDAA COc1cccc2ccc(N[C@@H]3CCN(C)C3=O)nc12 64157953 GVJVNFIAJJPABO-LLVKDONJSA-N 271.320 1.886 0 50 CDAA O=C(c1cc2c(cn1)OCCC2)N1C[C@@H](O)C2(CC2)C1 428199429 NBARFGWLKWNDAU-CYBMUJFWSA-N 274.320 1.004 0 50 CDAA Oc1ccccc1N1CCN(CC2CCOCC2)CC1 172006927 MTLJJBIBEYUXHB-UHFFFAOYSA-N 276.380 1.941 0 50 CDAA CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 39404061 NMVZDQRWGHFGTH-SECBINFHSA-N 266.728 1.747 0 50 CDAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30978 HJFLMHXJHDEFND-GFCCVEGCSA-N 297.376 1.650 0 50 CDAA Cc1nc(N(C)C)nc(N[C@H]2CCCCNC2=O)c1C 32529752 UYBNJUPGUYXOCY-NSHDSACASA-N 277.372 1.240 0 50 CDAA COC(=O)C(=O)C[C@@H](C)COCc1ccccc1 71261123 OEUPGGUBLKTRDW-LLVKDONJSA-N 250.294 1.972 0 50 CDAA COc1ccccc1CNC[C@@]1(OC)CCOC1 122936652 XMBKFXTYUAZGCQ-AWEZNQCLSA-N 251.326 1.590 0 50 CDAA CCc1ncc(C(=O)N2CC(c3cccnc3)C2)cn1 72125466 GJUYOUADVQPNDS-UHFFFAOYSA-N 268.320 1.674 0 50 CDAA CCc1nc(NC(=O)N2CCOC[C@H](O)C2)sc1C 331482355 PYMWZNMMHFQVEO-SECBINFHSA-N 285.369 1.239 0 50 CDAA Cn1cnnc1[C@H]1CCCN1C(=O)c1ccc2cncn2c1 328846736 XUQJYZQATVBKEU-CYBMUJFWSA-N 296.334 1.440 0 50 CDAA C[C@@H](O)[C@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1 332543495 LVGVNKLXJRMPPC-IAQYHMDHSA-N 286.331 1.457 0 50 CDAA CN(C(=O)CS(=O)(=O)C1CC1)C1CCC(F)(F)CC1 333096214 PFUQAWGGCGEYQH-UHFFFAOYSA-N 295.351 1.600 0 50 CDAA O=C1[C@H]2CCCCN2C(=O)N1Cc1ccc2cncn2c1 333541503 NYLAMCKUEZRMPX-CYBMUJFWSA-N 284.319 1.651 0 50 CDAA C[C@H](C(=O)NC[C@@]1(O)CCC[C@@H]1C)c1ccnn1C 333735102 LOEBIBOBQDQGCR-MJVIPROJSA-N 265.357 1.191 0 50 CDAA N=c1[nH]c(C2CC2)ncc1C(=O)N[C@@H]1CC12CCOCC2 333988017 HTRUHBXQXYQYJO-LLVKDONJSA-N 288.351 1.065 0 50 CDAA C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCOC(C)(C)C2)CC1 334402255 OFZZOXDBFAQMFH-QWHCGFSZSA-N 296.411 1.709 0 50 CDAA COC(=O)[C@]1(C)CN(C(=O)N[C@H]2C[C@H]2C)C[C@H]1C 374412879 AUGUNBASYGJSQN-ORXSELOVSA-N 254.330 1.235 0 50 CDAA CCn1cc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)cn1 262445051 OKGLZSOFTGIISK-LLVKDONJSA-N 277.324 1.230 0 50 CDAA CNC(=O)c1cccnc1N1CC[C@@](C)(COC)C1 450607137 WMYXFSGDOQKDMC-CQSZACIVSA-N 263.341 1.304 0 50 CDAA Cc1c[nH]cc1C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 262426699 LVTVGSZSTZUSKI-NSHDSACASA-N 262.309 1.650 0 50 CDAA C[C@](O)(CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C(=O)O 262554068 ULVRRXKEVLCTIJ-BXGCZWRVSA-N 299.273 1.020 0 50 CDAA COc1cc(Nc2nonc2OC)cc(OC)c1 1175102075 QCZKBHBZGAXYJO-UHFFFAOYSA-N 251.242 1.839 0 50 CDAA O=C(CCc1ccccc1Cl)N[C@H]1CCCNC1=O 49499600 VGETXRHYOGJKBH-LBPRGKRZSA-N 280.755 1.667 0 50 CDAA Cc1ccc(CNCCN2CCOCC2)cc1F 83393128 QWKOKKSZKMDZLW-UHFFFAOYSA-N 252.333 1.556 0 50 CDAA Cc1cnccc1N1CCN(C(=O)Cc2ccncc2)CC1 222418491 HRIMJFQONIDXNJ-UHFFFAOYSA-N 296.374 1.676 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)o1 286327794 ODMDGDRKUBCUJR-UPJWGTAASA-N 279.336 1.590 0 50 CDAA C[C@]1(CNC(=O)CCc2cscn2)CCCO1 176493934 VGUUQAWOFBPGPZ-GFCCVEGCSA-N 254.355 1.761 0 50 CDAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C(=O)O 290598838 VCDQEOLAFYREPC-SSDOTTSWSA-N 253.302 1.208 0 50 CDAA N=c1nc(N2CCC(F)(F)CC2)cc([C@@H]2CCOC2)[nH]1 426491032 IDTZNAVFMWGYSN-SECBINFHSA-N 284.310 1.629 0 50 CDAA COC(=O)c1ccc(N)c(I)n1 40450009 XYAWLFXZOHDXKP-UHFFFAOYSA-N 278.049 1.055 0 50 CDAA COc1cccc([C@@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)c1 178275141 VMTMJCYVXIIGOU-ZYHUDNBSSA-N 277.320 1.732 0 50 CDAA N[C@@H]1CCN(c2ncc(Cl)cc2Cl)C[C@H]1O 82099774 IMFOPRLBJNPYOO-RKDXNWHRSA-N 262.140 1.287 0 50 CDAA CCOc1ncccc1C(=O)N[C@@H](C)c1ncnn1CC 223781355 ZPNWMKOHJOJBNC-JTQLQIEISA-N 289.339 1.583 0 50 CDAA CCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)[nH]1 426513689 PILWGBUGUFUQAB-NSHDSACASA-N 250.298 1.656 0 50 CDAA Cc1nc(C(C)C)oc1CNC(=O)[C@@H]1CCC(=O)NC1 615154431 DTQUKLBFNMZNHB-SNVBAGLBSA-N 279.340 1.249 0 50 CDAA CN(CCc1ccncc1)C(=O)CN1CCCCCC1=O 195362249 BGMGJLLTXBTBPP-UHFFFAOYSA-N 289.379 1.485 0 50 CDAA COCCCNC(=O)[C@H](C)NC(=O)OCc1ccccc1 95218018 SAVSELWCSLOACS-LBPRGKRZSA-N 294.351 1.454 0 50 CDAA CNCc1nnc(N[C@@H](C)Cc2ccsc2)o1 234426289 OZHNTDOYHJVRMG-QMMMGPOBSA-N 252.343 1.894 0 50 CDAA CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@H]1CCNC1 179075361 ZXPWLZIIQYCWHW-GARJFASQSA-N 280.318 1.889 0 50 CDAA CC(C)n1cncc1CN1CCC[C@@H](C(=O)O)C1 91273972 NXLKUZNYIATAPR-LLVKDONJSA-N 251.330 1.761 0 50 CDAA Cc1nn(CCC(=O)NC2(C(=O)O)CCCC2)c(C)c1C 426589829 UZWHRDUHWWKVBU-UHFFFAOYSA-N 293.367 1.712 0 50 CDAA Cc1nn(C)c2nc(N[C@H]3CCCNC3=O)sc12 96162919 YBVMVFJKHVBOSD-ZETCQYMHSA-N 265.342 1.029 0 50 CDAA CCn1nnc(C)c1C(=O)NC[C@H](C)c1ccccn1 617069686 ULXAMBWKGOMZOV-JTQLQIEISA-N 273.340 1.535 0 50 CDAA Cc1ccc(N(C)C2CCN(C[C@H](O)C(C)C)CC2)nn1 292766608 XWVBQFFXWXCALZ-HNNXBMFYSA-N 292.427 1.703 0 50 CDAA CN(CCc1cnn(C)c1)c1nccc(-c2ccccn2)n1 96153733 HYNVXCGSIGXLAZ-UHFFFAOYSA-N 294.362 1.951 0 50 CDAA CCCCc1c(C)nc(N)nc1N1CC[C@@H](N(C)C)C1 91690429 CZRSZPVWEHGANE-GFCCVEGCSA-N 277.416 1.850 0 50 CDAA O=C(NCc1ccoc1)[C@H]1CC(=O)N(Cc2ccncc2)C1 97785165 GJNQWFCAKBBPKZ-AWEZNQCLSA-N 299.330 1.340 0 50 CDAA CN(CCc1cnn(C)c1)C(=O)[C@H]1COc2ccccc2C1 91656149 ZPADYSXXGZLJKL-OAHLLOKOSA-N 299.374 1.672 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2COc3ccccc3C2)n(C)n1 95523330 OVCJKNJWXUQKIW-ZDUSSCGKSA-N 285.347 1.596 0 50 CDAA CNc1cc([C@H]2C[C@H](NC(=O)C3CCOCC3)C2)ncn1 243901311 BBEUSVVVUQQIOE-HAQNSBGRSA-N 290.367 1.307 0 50 CDAA C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCOCC2)C1 181814624 LPCDXODQQMNVCF-YPMHNXCESA-N 256.346 1.112 0 50 CDAA C[C@H](OC1CCCCCC1)C(=O)N1CCO[C@@H](C(=O)O)C1 299744490 OYFUANRCIQZEEA-WCQYABFASA-N 299.367 1.426 0 50 CDAA CCCC1(CNC(=O)Cn2ccc(=O)cc2)CCC1 534672367 WKRVXBXZRCFEPE-UHFFFAOYSA-N 262.353 1.935 0 50 CDAA O=C(CCN1CCCCCC1=O)NCC[C@H]1CCOC1 534651832 SBRSVRBYEHAJEB-ZDUSSCGKSA-N 282.384 1.322 0 50 CDAA Cc1ncsc1CN1CCc2c(c(C(=O)O)nn2C)C1 534637871 SQDYRMDKEMAJIT-UHFFFAOYSA-N 292.364 1.442 0 50 CDAA Cc1c(Cl)ccc(NC(=O)NC[C@@H](O)CO)c1Cl 299792957 GYHWCHHMOXJFKL-SSDOTTSWSA-N 293.150 1.777 0 50 CDAA O=C([C@H]1CC(CCc2ccccc2)=NO1)N1CCOCC1 299762007 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CCOc1ccc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cn1 426697295 GKIRBNNECYAWDT-NMWPEEMBSA-N 273.380 1.663 0 50 CDAA Cc1cnc(CNC(=O)N2CCOC3(CCCC3)C2)[nH]1 426647906 JWGMNFSIIVHZGN-UHFFFAOYSA-N 278.356 1.573 0 50 CDAA CCO[C@@H](C)C(=O)NCCc1nc2c(s1)CCC2 426515506 JXIACGSRRMGDIW-VIFPVBQESA-N 268.382 1.716 0 50 CDAA Cc1cnc(CN2CCC[C@H](c3nc[nH]n3)C2)cn1 332327583 ORMVNDWUQCLMIC-NSHDSACASA-N 258.329 1.283 0 50 CDAA N=c1[nH]c([C@H]2CCOC2)cc(=NCCCc2ccccn2)[nH]1 426389962 VNEAAGZWYOJHGM-LBPRGKRZSA-N 299.378 1.255 0 50 CDAA CC[C@@H](C(=O)NCCc1nnc(C)s1)n1cccn1 92002925 XEWIVRBXPBCCOO-JTQLQIEISA-N 279.369 1.353 0 50 CDAA CSC[C@H]1CCCN(C(=O)NCc2n[nH]c(C)n2)C1 426623155 CSJHOTTYMQDCKJ-JTQLQIEISA-N 283.401 1.398 0 50 CDAA CNc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)nc2c1CCC2 91586873 CFJWEEFKGCETGA-HWPZZCPQSA-N 288.395 1.604 0 50 CDAA O=C(CCC(F)(F)F)NCCc1nc(C(=O)O)cs1 90939937 SSVKOHZUXBCSHN-UHFFFAOYSA-N 296.270 1.843 0 50 CDAA Cc1ncc(C(=O)N[C@H](C)Cc2ccsc2)c(=O)[nH]1 91475843 OGZPQICOXNAKEB-MRVPVSSYSA-N 277.349 1.501 0 50 CDAA NC(=O)NC(=O)CCCN1CCc2ccc(F)cc2C1 179077091 ZYGSKHSEPGAXIQ-UHFFFAOYSA-N 279.315 1.159 0 50 CDAA CC(C)(C)OC(=O)N1CC(OC2CCNCC2)C1 144962778 SJIOEXVHZCHRRZ-UHFFFAOYSA-N 256.346 1.374 0 50 CDAA Cc1ccc([C@@H](C(=O)N(C)CC2(CO)CC2)N(C)C)cc1 91289485 HAAJDQAUJBYCPU-HNNXBMFYSA-N 290.407 1.829 0 50 CDAA O=C(N1CCCN(c2ccncn2)CC1)C(F)(F)F 91547879 BQOQEAIEQOGCIC-UHFFFAOYSA-N 274.246 1.078 0 50 CDAA Cc1cc(NC(=O)CN2CC(O)C2)ccc1Cl 244898813 ZCAQZERAFIBWNU-UHFFFAOYSA-N 254.717 1.263 0 50 CDAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccon1 244882889 YBBUKTGSDZSYLZ-GBIKHYSHSA-N 273.292 1.312 0 50 CDAA C[C@@H](NCc1nnc2n1CCCC2)c1cccc(CO)c1 183865381 YPCLMKMJSNNBLO-GFCCVEGCSA-N 286.379 1.958 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 299739379 NTUPSDCATRFZFZ-ZYHUDNBSSA-N 274.368 1.553 0 50 CDAA O=c1cc(Br)ccn1-c1ccncc1 255187336 CVBHXEQFDMLIDG-UHFFFAOYSA-N 251.083 1.995 0 50 CDAA CN=c1[nH]c(C)cc(=NC[C@@H](c2ccc(C)cc2)N(C)C)[nH]1 534582578 HAALROBEUUJQBS-HNNXBMFYSA-N 299.422 1.694 0 50 CDAA CSCC(=O)NC[C@@H]1CCN(C2CCCC2)C1 534586678 VVCPBPOEEOHBTG-NSHDSACASA-N 256.415 1.730 0 50 CDAA CO[C@@H](C)c1cccc(-c2ncn(CC(=O)O)n2)c1 534646014 FAEKANTWXPRTIY-VIFPVBQESA-N 261.281 1.737 0 50 CDAA CC[C@H](NC(=O)c1csc(=NC)[nH]1)c1ncnn1CC 534640026 FSYSAJGIJHMPKD-QMMMGPOBSA-N 294.384 1.099 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@H](C)O1 304305 HMHFMQRBPQYTAO-QWRGUYRKSA-N 255.339 1.485 0 50 CDAA COc1ccc(-c2cc(C)cc3c2O[C@H](CN)C3)nn1 299790937 CAIKCALSCCBGSZ-NSHDSACASA-N 271.320 1.723 0 50 CDAA COc1ccc(C(=O)N[C@H](c2ncnn2C)C(C)C)cn1 299793262 IESWUJREUYIJMV-LBPRGKRZSA-N 289.339 1.346 0 50 CDAA Cn1nc2c(c1NC(=O)NC[C@@H]1CCCO1)CCC2 299766285 MWHKDECIINSCJH-VIFPVBQESA-N 264.329 1.209 0 50 CDAA CCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](O)CC2 823133046 HOFDYKYRAQWWCW-ZDUSSCGKSA-N 299.374 1.531 0 50 CDAA C1CCN(CCC2CCN([C@H]3CCOC3)CC2)C1 820430485 KLLLQKNFMJOKGC-HNNXBMFYSA-N 252.402 1.973 0 50 CDAA Cc1cc(C)c2ncn([C@H]3CCC(=O)N(C)C3)c(=O)c2c1 584896708 UQVDLFAXVFRPHX-LBPRGKRZSA-N 285.347 1.807 0 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254.286 1.716 0 50 CDAA in-vitro O=C(CN1CCNCC1)Nc1ccc(Cl)cc1Cl 19797591 POWVSJWSARLGMN-UHFFFAOYSA-N 288.178 1.837 0 50 CDAA COc1cc(N2C[C@@H](C(=O)O)CC2=O)c(OC)cc1Cl 19803689 GCNWZLSZPMQVAK-ZETCQYMHSA-N 299.710 1.795 0 50 CDAA Cn1c(SCC(=O)NC2CC2)nnc1-c1ccccc1 3542439 MWOJZHNBOSWKPW-UHFFFAOYSA-N 288.376 1.853 0 50 CDAA OCCNCCOCCOc1ccc(Cl)cc1 2981134 MBEQJQWNKPAFBU-UHFFFAOYSA-N 259.733 1.317 0 50 CDAA COc1cc(NC(=O)NC(=O)c2ccccc2)ncn1 6700774 QZQFQFBLOUFCKM-UHFFFAOYSA-N 272.264 1.447 0 50 CDAA Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1CCC(=O)O 225901885 BOCYNOIUHUAULN-LLVKDONJSA-N 279.340 1.588 0 50 CDAA COc1cccc([C@H]2C[C@@H]2CNC(=O)c2cn[nH]c2)c1 1857532037 BTRQDUXFHUCYJV-BXUZGUMPSA-N 271.320 1.952 0 50 CDAA Cc1nn(C)cc1-n1ccnc1-c1ccccc1OCCO 1857693994 WBKSUHCOEKAPQN-UHFFFAOYSA-N 298.346 1.952 0 50 CDAA CO[C@@H]1C[C@@H](C(=O)N2CCc3sccc3C2)CC[C@H]1N 1857740048 FQRVJUWBQZRXHQ-CYZMBNFOSA-N 294.420 1.775 0 50 CDAA C[C@H](NC(=O)C(=O)NC[C@H]1CCCO1)c1ccccc1 2943042 OAHMFRBSTLXJCN-WCQYABFASA-N 276.336 1.159 0 50 CDAA O=C(O)c1cccc2c1CN(C(=O)[C@H]1CCOC1)CC2 649257228 AUVCMRPQJCXNFC-NSHDSACASA-N 275.304 1.306 0 50 CDAA CCc1nc(N[C@H]2CNC(=O)C2)c2ccsc2n1 548036587 SIRFQYYPHYNVPD-SSDOTTSWSA-N 262.338 1.554 0 50 CDAA CN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 13791368 LWFVCCRWLUOSCL-GFCCVEGCSA-N 296.392 1.321 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)c1cccc(-n2cccn2)c1 136511014 LEBKNTRIDKWZNK-CQSZACIVSA-N 299.330 1.952 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)Cc2ccc3c(c2)CCO3)C1 262132446 ILUJHRCIMKMYKF-INIZCTEOSA-N 289.331 1.487 0 50 CDAA Cc1ncc(CN2CCN(CC(C)(C)O)C[C@H]2C)o1 585120799 LTVCTQSLZIBLJC-LLVKDONJSA-N 267.373 1.260 0 50 CDAA CCCC(=O)NC[C@H]1CCCN(C(=O)c2cscn2)C1 264108545 IPMIMUJGZIWENE-LLVKDONJSA-N 295.408 1.912 0 50 CDAA Cc1cc(N2CC[C@@H](c3cnn(C)c3)C2)n2ncnc2n1 265300271 CWCDKSYKRHHOBL-LLVKDONJSA-N 283.339 1.160 0 50 CDAA Cn1ncc(CN2CCCC[C@@H]2C2(CN)CCC2)n1 903812172 RNQZNPDPSMYUIP-CYBMUJFWSA-N 263.389 1.299 0 50 CDAA Cc1nc(C)c(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)s1 1704310966 WLQMBZVDXWREHJ-RYUDHWBXSA-N 295.408 1.163 0 50 CDAA COCC(C)(C)CC(=O)N1CCc2occc2[C@@H]1C(=O)O 910203836 CCGGUHQULFUPGQ-CYBMUJFWSA-N 295.335 1.853 0 50 CDAA O=C(NCc1cc(O)nc(O)n1)[C@@H]1C[C@H]1Cc1ccccc1 869023221 UFMAHYZBMJBRDM-DGCLKSJQSA-N 299.330 1.383 0 50 CDAA Cc1nc(C(=O)NC[C@H]2CCO[C@@H]2c2cn[nH]c2)c(C)o1 952852567 BCJQBFJSCVABJQ-MFKMUULPSA-N 290.323 1.522 0 50 CDAA CCC(CC)S(=O)(=O)NC(=O)c1cnn(C2CCC2)c1 1875283886 GBQHWTSVUYLORT-UHFFFAOYSA-N 299.396 1.856 0 50 CDAA COC[C@H]1CCCN(c2nc(C)nc3n[nH]cc23)CC1 1875287234 ZTEXIXOVZFLTMU-NSHDSACASA-N 275.356 1.914 0 50 CDAA Cc1ccc(-c2noc([C@@H]3CCC(=O)NC3)n2)c(O)n1 1875265105 CNMMCONBJXCWFX-MRVPVSSYSA-N 274.280 1.139 0 50 CDAA CC(=O)c1ccc(C(=O)N2Cc3n[nH]cc3[C@H]2CO)cc1 1875312925 KILAJEHARMHLNM-CQSZACIVSA-N 285.303 1.302 0 50 CDAA CC1=NO[C@](C)(CNC(=O)[C@H]2OCCc3ccccc32)C1 1875300934 WIQSEJHQAJIERA-HOCLYGCPSA-N 288.347 1.972 0 50 CDAA N[C@H](CNC(=O)c1cc2cn[nH]c2cn1)c1ccc(F)cc1 1875347309 TVNLOTAPYZLWKP-GFCCVEGCSA-N 299.309 1.527 0 50 CDAA Cc1cccc(C(=O)NC2(c3ncccn3)CCOCC2)n1 886936071 ILJQIWFZKUCAEO-UHFFFAOYSA-N 298.346 1.616 0 50 CDAA CN1CCO[C@H](CNC(=O)N(Cc2ccoc2)C2CC2)C1 892828195 VKFQHYAGTBAWII-CQSZACIVSA-N 293.367 1.284 0 50 CDAA O=C(CC[C@H]1CCCNC1)NCc1ccccc1C(=O)O 1773941031 XIPNJNCBZXKADO-GFCCVEGCSA-N 290.363 1.781 0 50 CDAA Cn1ncc2c(NC[C@H]3CC[C@@H](c4nc[nH]n4)O3)ccnc21 1775961678 RLEBZKJJMMIHQU-SKDRFNHKSA-N 299.338 1.419 0 50 CDAA CCN1CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 22454602 JXRHNRLUTLWUOB-UHFFFAOYSA-N 280.368 1.547 0 50 CDAA CCCS(=O)(=O)N1CCN(C[C@H]2CC=CCC2)CC1 49967589 QSUYKINLPPFIRE-AWEZNQCLSA-N 286.441 1.700 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](CN)C1 420456708 NQSVWDWRLWCZCE-DGCLKSJQSA-N 282.409 1.655 0 50 CDAA CC1(C)C[C@@H](O)CCN(S(=O)(=O)N2CCCCC2)C1 395414662 WYJFYGYIKDCGMN-LBPRGKRZSA-N 290.429 1.200 0 50 CDAA CCC12CN(C(C)=O)CC(CC)(CN(C(C)=O)C1)C2=O 94739 CBTIRGLLSIBBEH-UHFFFAOYSA-N 280.368 1.073 0 50 CDAA O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCCC3)cc2)CN1 116861 LXZSSLGPHZPXDN-GFCCVEGCSA-N 294.376 1.075 0 50 CDAA CC(=O)c1ccc(N2CN=C3SCC(=O)N3C2)cc1 1067557 SQOZENLUBQURGJ-UHFFFAOYSA-N 275.333 1.556 0 50 CDAA C[C@]1(C(=O)N2CC(O)(Cc3cc[nH]n3)C2)C=CCCC1 2325803409 FKMRHSFYPHAUGP-AWEZNQCLSA-N 275.352 1.272 0 50 CDAA CCc1ccsc1C(=O)N1CC[C@H](c2nc(=O)o[nH]2)C1 2325810636 VNESZOHFAIDAFJ-VIFPVBQESA-N 293.348 1.617 0 50 CDAA NC[C@@]12CC[C@H]1CCN2C(=O)Nc1nnc2ccccn12 904334517 YIQRDCKANYOIND-HZMBPMFUSA-N 286.339 1.074 0 50 CDAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N=C(N)S1 100157 MUXMBNDEPOJGFO-VIFPVBQESA-N 297.767 1.934 0 50 CDAA Nc1ccc2c(c1)S(=O)(=O)c1cc(N)ccc1C2 122452 UPVRZVIJGVFROW-UHFFFAOYSA-N 260.318 1.588 0 50 CDAA in-vitro CCc1noc(C)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 204453 OLTXCBRPGJPYGX-IUCAKERBSA-N 252.314 1.795 0 50 CDAA Nc1cc(N)nc(SCC(=O)c2ccc(F)cc2)n1 617783 UHWYZYFFJSRCJM-UHFFFAOYSA-N 278.312 1.755 0 50 CDAA Cc1ccc(NC(=O)COC(=O)c2ccnn2C)cc1 878202 IZQBWPBFAKGQEE-UHFFFAOYSA-N 273.292 1.524 0 50 CDAA Cn1cnc2nc(NCCO)nc(NCc3ccccc3)c21 2556333 WOQKMUDQRKXVLO-UHFFFAOYSA-N 298.350 1.380 0 50 CDAA in-vitro COc1ccc(OCc2nn3cnnc3s2)cc1 4487506 ARJXSSQXSHGQQF-UHFFFAOYSA-N 262.294 1.773 0 50 CDAA COc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2C)cc1OC 4792633 IGCUAQHQLRVAAG-ZANVPECISA-N 279.292 1.308 0 50 CDAA Cc1cc(NC(=O)c2ccc(-n3cnnc3)cc2)no1 6703671 XAWNTJGDXPCSQF-UHFFFAOYSA-N 269.264 1.816 0 50 CDAA COCC[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)O 111185649 SINVMIZPOLOBBZ-VXGBXAGGSA-N 293.319 1.159 0 50 CDAA CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)cc1 9329743 IDDFPOBXCGBFRV-LBPRGKRZSA-N 299.334 1.924 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](CC(=O)O)OC(C)(C)C1 309840550 VVYISTGUCLIMIV-SECBINFHSA-N 273.329 1.876 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCOC1 179061264 VNCLEKMWPRNKNG-NSHDSACASA-N 269.728 1.932 0 50 CDAA Cc1cccnc1[C@H](C)NC(=O)CSc1n[nH]c(N)n1 67771645 YXROODLCAWYTHW-QMMMGPOBSA-N 292.368 1.060 0 50 CDAA CCN(Cc1ccc(F)cc1)C(=O)CS(C)(=O)=O 67805734 IXHASETURQVMKJ-UHFFFAOYSA-N 273.329 1.219 0 50 CDAA Cc1ccccc1Cn1c(Cc2ccncc2)n[nH]c1=O 65454922 OBVGXEUONPJALV-UHFFFAOYSA-N 280.331 1.914 0 50 CDAA O=C(Cn1ncsc1=O)Nc1ccnn1C1CCCC1 124010458 UOKDAZSIHPQFHC-UHFFFAOYSA-N 293.352 1.255 0 50 CDAA C[C@@H](CCc1nc(C2CC2)n[nH]1)N1CCN(C)CC1 65433540 CIFJWSBHRCDBPX-NSHDSACASA-N 263.389 1.251 0 50 CDAA CNC(C)(C)C(=O)NC[C@H]1CCCN(CC(C)C)C1 67954787 SDKYMYRROLHANG-CYBMUJFWSA-N 269.433 1.469 0 50 CDAA C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1)Cn1cccn1 252537018 KELWMNCWQKZURU-BARDWOONSA-N 290.411 1.556 0 50 CDAA CC(C)Cn1ccnc1NC(=O)c1cnc(N(C)C)cn1 355149064 LRASQKPXTLUNKU-UHFFFAOYSA-N 288.355 1.647 0 50 CDAA NC(=O)c1ccc(Cl)c(NC(=O)/C=C\C(=O)O)c1 32645627 RXTODWHTMIISAH-ARJAWSKDSA-N 268.656 1.018 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)C=C(C1CC1)C1CC1 367296501 XTNUEWUBAZJREZ-GFCCVEGCSA-N 279.336 1.435 0 50 CDAA CCc1nn(C)c(Cl)c1CN1CC[C@H](OC)C1 216401419 KFUYJEPYYMHWCH-VIFPVBQESA-N 257.765 1.857 0 50 CDAA CCn1cnnc1[C@@H]1CN(CC(O)(CC)CC)CCO1 328625863 DONSSMYPPXHOGH-LBPRGKRZSA-N 282.388 1.222 0 50 CDAA Cc1nc([C@@H](C)NS(=O)(=O)C[C@@H]2CCOC2)cs1 330688143 UOVCOUIYCKZANN-PSASIEDQSA-N 290.410 1.468 0 50 CDAA C[C@H](CCC(=O)N1CCn2cncc2C1)N1CCCC1 72161683 GGSAGRUTVDYOOR-CYBMUJFWSA-N 276.384 1.490 0 50 CDAA NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 34633360 MNEUHRLPCBNVQP-UHFFFAOYSA-N 285.355 1.891 0 50 CDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccoc1 360823571 WCIWGLOUWNQBAL-UHFFFAOYSA-N 260.175 1.347 0 50 CDAA CCN(CCn1cccn1)C(=O)c1cc(C)[nH]c(=O)c1 215183770 QZGJZNMFGZYWLD-UHFFFAOYSA-N 274.324 1.042 0 50 CDAA COc1cc2ncn(Cc3ncc[nH]3)c(=O)c2cc1OC 32513788 XELIJFICQJDCCS-UHFFFAOYSA-N 286.291 1.185 0 50 CDAA COc1ccc(CN(C)S(C)(=O)=O)cc1OC 30865326 SBHVYHHCZWUPAZ-UHFFFAOYSA-N 259.327 1.095 0 50 CDAA CN1C(=O)C[C@@H](CNCc2cnnn2C)[C@@H]1c1ccccc1 373467169 FVELTYBVIAMNEK-BBRMVZONSA-N 299.378 1.124 0 50 CDAA COCCOCCOCCOC(=O)c1cccc(F)n1 127459802 LGWKGDCJONVEHR-UHFFFAOYSA-N 287.287 1.057 0 50 CDAA Cc1csc(CN2C(=O)N[C@@H](C3CCOCC3)C2=O)c1 333134700 BKIIUQBIIYJQQT-LBPRGKRZSA-N 294.376 1.904 0 50 CDAA C[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cnn[nH]3)c2)O1 333138917 YIJYFOHTZKYJKX-TVQRCGJNSA-N 272.308 1.978 0 50 CDAA O=C(Nc1ccncc1F)[C@H]1CC(=O)N(C2CCCC2)C1 132068764 GLUTWGZIZQZJEM-JTQLQIEISA-N 291.326 1.950 0 50 CDAA O=C(C1=COCCC1)N1CC[C@@](O)(c2ccc(F)cc2)C1 378523164 RIOGAPAFSWRJGQ-INIZCTEOSA-N 291.322 1.940 0 50 CDAA CCC1(O)CN(C(=O)[C@H](C)Cn2ncc3ccccc32)C1 334017974 BWDASFHUMXTURA-GFCCVEGCSA-N 287.363 1.656 0 50 CDAA Cc1cc(C(=O)N2CC[C@](C)(C(=O)O)C2)nn1C(C)(C)C 237709581 ZZRSIABFUDQZOR-HNNXBMFYSA-N 293.367 1.883 0 50 CDAA Cc1ccc(F)c(OCC(=O)N2CC[C@](C)(C(=O)O)C2)c1 237771324 GSBUHVLILIDPNQ-HNNXBMFYSA-N 295.310 1.836 0 50 CDAA CCCc1oncc1C(=O)N1CCC[C@]2(CNC(=O)O2)C1 72159081 IXMXFHSMRNCRRY-AWEZNQCLSA-N 293.323 1.342 0 50 CDAA Cc1cc(C)c(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)o1 334735644 RZRGPAMGBVCNAP-NEPJUHHUSA-N 297.376 1.688 0 50 CDAA Cc1csc(N(C(=O)Cn2cccn2)C2CC2)n1 173126805 WOLHEQZWILNRMN-UHFFFAOYSA-N 262.338 1.844 0 50 CDAA CN(C)C(=O)c1ccccc1CN1C[C@H](O)C(C)(C)C1 334960023 BGXVERBTEPDKDD-AWEZNQCLSA-N 276.380 1.591 0 50 CDAA COc1cc(C)sc1C(=O)N1CC[C@H](N)[C@@H]1C 335436506 NBGWGWLCCXSNEQ-IUCAKERBSA-N 254.355 1.627 0 50 CDAA COC(=O)N[C@@H](C)C(=O)N(C)Cc1cc(C2CC2)on1 222645441 RCARLVLVGOSEKS-QMMMGPOBSA-N 281.312 1.255 0 50 CDAA O=C(CSc1ncnc2[nH]cnc12)c1cnccn1 340673578 ZCLZZMPWJWBURL-UHFFFAOYSA-N 272.293 1.118 0 50 CDAA CC[C@H](NC(=O)CN(C)Cc1ccccc1)[C@H]1C[C@@H](O)C1 220077602 PJVFTEYOIJLICX-JYJNAYRXSA-N 290.407 1.784 0 50 CDAA CN(C(=O)c1cc(C(C)(C)C)on1)[C@@H]1CCC[C@H]1O 286427946 PUPDWZRBKZDQEV-GHMZBOCLSA-N 266.341 1.958 0 50 CDAA O=C(CN1CCCC1)N1CCC(c2ccncc2)CC1 221390485 BWTGMLJKPZZSKX-UHFFFAOYSA-N 273.380 1.883 0 50 CDAA CCn1cc(S(=O)(=O)N2Cc3ccccc3CO2)cn1 287561945 WGWMLTQUKFFVIA-UHFFFAOYSA-N 293.348 1.539 0 50 CDAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)NCc1cccs1)C2 426360402 PNYRAKLKZOVRDX-PEGIJTEDSA-N 265.382 1.627 0 50 CDAA CC(=O)c1cc(CC(=O)NC2(C(=O)O)CC2)cs1 426479674 HNQKBUGVNIZRPW-UHFFFAOYSA-N 267.306 1.227 0 50 CDAA Cc1nnc(CN(C)C(=O)NCc2ccncc2C)o1 426615197 ROAUPRPMVGVREB-UHFFFAOYSA-N 275.312 1.423 0 50 CDAA CC(=O)c1cc(CN2CCC3(CC2)CNCCO3)cs1 426622872 BLZWTGFFPRUJNV-UHFFFAOYSA-N 294.420 1.905 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)[C@H]3Cc4ccccc4O3)C2)n1 220146109 ZULSUHMKIVOBAF-MRXNPFEDSA-N 297.358 1.887 0 50 CDAA CNC(=O)c1cccc(NC(=O)c2cc(C)nn2C)c1C 335310897 RGGVJJABWFRKLT-UHFFFAOYSA-N 286.335 1.649 0 50 CDAA O=C(O)CCC(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 426683700 CFXDWNUMRACWSN-CHWSQXEVSA-N 280.368 1.184 0 50 CDAA O=S(=O)(c1ccc(Br)cc1)C1CNC1 95908507 NLLZHTJWBQXCAJ-UHFFFAOYSA-N 276.155 1.195 0 50 CDAA CCC[C@@H](CC(=O)O)NC(=O)c1cc(=O)cc(C)[nH]1 426658481 PUUADDJXSKPWMG-VIFPVBQESA-N 266.297 1.057 0 50 CDAA Cc1nc(NC2(C(N)=O)CCCC2)c2cccnc2n1 95360002 VDPOGYHSGUNZHC-UHFFFAOYSA-N 271.324 1.543 0 50 CDAA O=C1CSc2ccccc2N1C[C@H]1COCCO1 95386821 IHSFOXYZDBALDQ-JTQLQIEISA-N 265.334 1.541 0 50 CDAA CCc1cnc(N)nc1N[C@H](COC)c1ccccn1 95375728 DLIYNRQCKGFLKU-GFCCVEGCSA-N 273.340 1.816 0 50 CDAA CC(C)n1cc(NC(=O)N[C@H](C)Cn2cncn2)cn1 97815487 QCVOAXWVGAXISM-SNVBAGLBSA-N 277.332 1.266 0 50 CDAA Cc1cnccc1CN1C[C@]2(CCOC2)CCC1=O 91974167 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BCHCSYDJKZNSCS-UHFFFAOYSA-N 270.310 1.291 0 50 CDAA OC[C@@H]1C[C@H](F)CN1c1noc(-c2ccccc2)n1 343993557 XUGYLNSNWUNHRO-QWRGUYRKSA-N 263.272 1.646 0 50 CDAA CC[C@@H](C)c1nnc2n1CC[C@@H](C(=O)OC)CC2 601044913 SPWQXKWRVMJNMW-ZJUUUORDSA-N 251.330 1.917 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1cccc(Cn2cccn2)c1 20995634 IEFWERCGHPGKAR-HNNXBMFYSA-N 285.347 1.840 0 50 CDAA NC(=O)NCc1nc([C@@H]2CCOC2)nn1C1CCCCC1 102533376 CHAJHJRDKVFJLQ-SNVBAGLBSA-N 293.371 1.456 0 50 CDAA COc1cccc(C(=O)O[C@@H](C)CN2CCOCC2)c1 20058137 SYZHYKRFEZFEMU-LBPRGKRZSA-N 279.336 1.573 0 50 CDAA Cc1ccc(COC[C@@H](O)CN2CCN(C)CC2)cc1 23114598 LFHHZWGBVDKOFO-INIZCTEOSA-N 278.396 1.120 0 50 CDAA CC(C)N1CCC(CNS(=O)(=O)N2CCCC2)CC1 67833726 IVRHSBSSBRWHEC-UHFFFAOYSA-N 289.445 1.037 0 50 CDAA Cc1ccccc1OCCNCCN1CCOCC1 20500200 IKLQGBGBONOUAU-UHFFFAOYSA-N 264.369 1.296 0 50 CDAA CCOCCN1C[C@H](O)C[C@H]1c1cccc(OC)c1 282424888 YVKDDKHNXUCOGC-HIFRSBDPSA-N 265.353 1.839 0 50 CDAA Cc1cc2c(c(-c3cc(C(N)=O)ccn3)c1)O[C@@H](CN)C2 67640976 JCBDXQRAWQLXGE-GFCCVEGCSA-N 283.331 1.418 0 50 CDAA Cc1ccccc1-n1ccc2c(nnc3ncnn32)c1=O 67630331 ZFECTTLIARJTPH-UHFFFAOYSA-N 278.275 1.132 0 50 CDAA c1ccc(CN(Cc2ncc[nH]2)C[C@H]2CCCO2)nc1 63884582 HACPSGXRZBXFSP-CQSZACIVSA-N 272.352 1.986 0 50 CDAA Cc1cc(NC(=O)C(=O)N[C@H](C)c2cccnc2)sn1 353548437 VXYUMTXRHHHYEC-SECBINFHSA-N 290.348 1.662 0 50 CDAA C[C@@]1(O)N(CCO)C(=O)O[C@]1(C)CCc1ccccc1 117336 GAIQAKANDCYZFW-CABCVRRESA-N 279.336 1.531 0 50 CDAA Cc1nnc(-c2cnn(C)c2N)n1Cc1ccccc1F 1390273 PGKPTOJYGOQULM-UHFFFAOYSA-N 286.314 1.757 0 50 CDAA O=C(C[C@H]1COCCN1Cc1ccon1)c1ccco1 121132490 VKACSZKVMNQENF-LBPRGKRZSA-N 276.292 1.741 0 50 CDAA COc1nccnc1NCc1ccc2[nH]c(=O)[nH]c2c1 32553590 JNJWIDCFFOFKGY-UHFFFAOYSA-N 271.280 1.267 0 50 CDAA COc1cnc(NC(=O)N[C@H]2CCCn3ncnc32)s1 331418799 AKZKNOXAPHOQGA-ZETCQYMHSA-N 294.340 1.400 0 50 CDAA COC(=O)c1ccc(N2CCO[C@@H](C(F)(F)F)C2)nc1 71736111 QNFWCFCQGLKTTL-SECBINFHSA-N 290.241 1.636 0 50 CDAA C[C@@H]1CC[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)O1 155428847 XWDDKZJSZXPISL-VXNVDRBHSA-N 277.246 1.951 0 50 CDAA CCS[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2)C1 242155958 WURXYQOTIRSJAY-IJLUTSLNSA-N 256.415 1.919 0 50 CDAA COc1cccc2ncn(Cc3nc(C)cc(C)n3)c(=O)c12 32540679 YBPDGBVWIAOWJS-UHFFFAOYSA-N 296.330 1.860 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@@H](n2ccnn2)C1 333316139 SVWYWYPJHRZEEO-AAVRWANBSA-N 290.367 1.399 0 50 CDAA Nc1ccc(C(=O)O)c(I)c1 34275240 BECAAKAVMYEKLN-UHFFFAOYSA-N 263.034 1.572 0 50 CDAA CCn1ncnc1CN1CCC(c2ncncc2C)CC1 216068972 DNFLWDIJYQLPCF-UHFFFAOYSA-N 286.383 1.776 0 50 CDAA C[C@@]1(C(=O)N2CCO[C@@H](c3ccccc3F)C2)CCNC1 237564284 AJDXAHQSGDVIOR-GDBMZVCRSA-N 292.354 1.725 0 50 CDAA Cc1n[nH]cc1CN1CCNC(=O)[C@H]1c1ccccc1F 371804342 WRUZVWPCVZDEAV-CQSZACIVSA-N 288.326 1.530 0 50 CDAA CN(C)C/C=C/C(=O)N1CCO[C@@H]2CCCC[C@H]21 377773332 DJWOIYBODBTEAE-IURQOMBCSA-N 252.358 1.274 0 50 CDAA CC(C)[C@]1(CO)CCN(C(=O)CC2CCOCC2)C1 378031529 ZJMOYOSUEZGDEV-OAHLLOKOSA-N 269.385 1.670 0 50 CDAA CC(C)[C@@H](CNC(=O)N1C[C@H](C)O[C@H](C)C1)C(=O)O 157886171 CZZLLEDPHAXYPY-OUAUKWLOSA-N 272.345 1.162 0 50 CDAA O=C(NCCCn1ccnn1)c1ccc2c(c1)CCCC2 182906307 XADRASFWNZSQKC-UHFFFAOYSA-N 284.363 1.977 0 50 CDAA Cc1c[nH]cc1C(=O)N1CC[C@@](C(=O)O)(C(F)(F)F)C1 262954066 IQTCRYXOSXKNMZ-LLVKDONJSA-N 290.241 1.802 0 50 CDAA CC(=O)NC[C@H]1CN(C(=O)c2occc2C(C)C)CCO1 284415915 RWWLNDVHYOOCIY-LBPRGKRZSA-N 294.351 1.380 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(C3CC3)no2)N(C)C1 284481281 BJDZNTURODDERG-RYUDHWBXSA-N 293.367 1.343 0 50 CDAA COc1ccc(-c2cncc(C(=O)N3CC[C@H](N)C3)c2)cc1 132325218 DULUWTQCLDNCKQ-HNNXBMFYSA-N 297.358 1.930 0 50 CDAA CCc1nc(C)cc(N2CCC[C@@H](OCCO)C2)n1 287223292 IXLUZVAQNPXHKZ-GFCCVEGCSA-N 265.357 1.325 0 50 CDAA CCc1cc(C(=O)N2CCC(F)(F)[C@@H](CO)C2)[nH]n1 291213233 LAFCWWVTJGSOKT-MRVPVSSYSA-N 273.283 1.062 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2cccnc2N2CCCC2)C1 178262971 AKTGNXMFUHVEIE-LLVKDONJSA-N 289.335 1.229 0 50 CDAA COc1ccsc1C(=O)N[C@@]1(C(=O)O)CCSC1 161382913 XDKQWIUBPKZRIN-NSHDSACASA-N 287.362 1.447 0 50 CDAA c1ccc(OCCN2CCN(c3cnccn3)CC2)cc1 45910060 GQVWBNYDPIAWMH-UHFFFAOYSA-N 284.363 1.678 0 50 CDAA Cc1cc(CN2CCCC[C@@H]2c2nc(=O)[nH][nH]2)on1 289047302 BVGFWRRHQGAATR-SNVBAGLBSA-N 263.301 1.122 0 50 CDAA Cc1cc(-c2ncc(F)c(N3CCOCC3)n2)n[nH]1 426719956 OLWQAUGZAGUSNQ-UHFFFAOYSA-N 263.276 1.151 0 50 CDAA Cc1ccccc1SCC(=O)N[C@@H]1CCC(=O)N(C)C1 133307787 IMBZUNSFYSGDSL-GFCCVEGCSA-N 292.404 1.824 0 50 CDAA O=C(NCc1nnc2n1CCC2)[C@H]1COc2ccccc2C1 48353605 GUWJZBXYKDYLCN-GFCCVEGCSA-N 298.346 1.092 0 50 CDAA Cc1oncc1C(=O)NCCc1nc(-c2cccnc2)no1 223045403 XXMZULKHZLLYHP-UHFFFAOYSA-N 299.290 1.401 0 50 CDAA CC[C@@H](NC(=O)c1ccc(C)n(C)c1=O)c1ccncc1 426478849 FXRRWRKLQUZSLW-CQSZACIVSA-N 285.347 1.970 0 50 CDAA C[C@H](CN)CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 237427351 QOOGFUYGLMOSAH-VHSXEESVSA-N 266.316 1.925 0 50 CDAA Nc1cncc(-c2cncc(C(=O)N3CCCC3)n2)c1 97694863 ZNGWGZXRNVJPDE-UHFFFAOYSA-N 269.308 1.357 0 50 CDAA C[C@H]1CCCN(C(=O)Cc2cccnc2)[C@H]1C(=O)O 235636625 WHRJKROFHKWQFE-GXFFZTMASA-N 262.309 1.336 0 50 CDAA CNCC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 91304844 MSNADHPBLZLXTD-AWEZNQCLSA-N 296.374 1.857 0 50 CDAA CCCc1nnc(NC[C@H](CO)Cc2ccco2)o1 95385870 DKMUBUNOONCOSY-SNVBAGLBSA-N 265.313 1.878 0 50 CDAA Cc1cc(C(=O)NC[C@@H](CO)Cc2ccco2)cnc1C 97696110 OCSGRZNCJWFRPH-ZDUSSCGKSA-N 288.347 1.872 0 50 CDAA Cn1ccnc1SCCN1C[C@]2(CCOC2)CCC1=O 91726098 YISZFVRGLRTCSZ-CQSZACIVSA-N 295.408 1.541 0 50 CDAA Nc1ncnc2ccc(I)cc12 91301951 YUEFBUYEPRXDBB-UHFFFAOYSA-N 271.061 1.817 0 50 CDAA C[C@H]1CN(C(=O)CCc2nccs2)C[C@@H](C)N1C 293887637 DGDPIZKNKNGIPY-PHIMTYICSA-N 267.398 1.627 0 50 CDAA O=C(C[C@H]1CCc2ccccc21)NCCN1CCOCC1 91894741 KAFBTSDBUFPCPC-OAHLLOKOSA-N 288.391 1.555 0 50 CDAA Cc1cc(NC(=O)[C@H]2CC[C@@H](N)C2)n(Cc2ccccn2)n1 237821147 JSEDGYXWOHPTJI-QWHCGFSZSA-N 299.378 1.701 0 50 CDAA CCc1c(C)nc(N)nc1NC[C@H]1CCCN(CCO)C1 95369794 LARUNIYMHMYCLF-GFCCVEGCSA-N 293.415 1.046 0 50 CDAA CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 96162599 VYKPVWCQECDJHC-BXUZGUMPSA-N 261.277 1.096 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 246758348 PYAZOUVPZODDAK-MPPDQPJWSA-N 270.398 1.749 0 50 CDAA Cc1ccc(CN(CCO)CCn2cc[nH]c2=O)s1 244774166 POYWAAIMSPMBRE-UHFFFAOYSA-N 281.381 1.041 0 50 CDAA CSc1cc(C(=O)OCCc2cn[nH]c2)ccn1 181774748 LZVWHCYJOPONCA-UHFFFAOYSA-N 263.322 1.926 0 50 CDAA CCc1nc([C@H](C)NC(=O)Nc2ncn(C)n2)cs1 296821156 QMCGWHDDEGQIBZ-ZETCQYMHSA-N 280.357 1.717 0 50 CDAA CC[C@H](C)[C@H](CO)NC(=O)c1cc(C(C)C)[nH]n1 252549503 RJOLKCUEKZNUBR-CABZTGNLSA-N 253.346 1.670 0 50 CDAA CN(CC(=O)N(C)C)Cc1cc(O)ccc1Cl 625067058 KYVAJFNYSZPVHF-UHFFFAOYSA-N 256.733 1.566 0 50 CDAA O=C(c1cc2ncccn2n1)N1CC[C@H](N2CCCCC2)C1 631149301 JVAYKVAIRBMIMO-ZDUSSCGKSA-N 299.378 1.430 0 50 CDAA Cc1nnc(CCNC(=O)N(C)Cc2cscn2)s1 555168213 OUIJSZLIAWMLTH-UHFFFAOYSA-N 297.409 1.687 0 50 CDAA CCn1ncnc1CN1CC2(COc3ccccc3C2)C1 1940197403 NZHYTYGGABQEMY-UHFFFAOYSA-N 284.363 1.735 0 50 CDAA CNC(=O)[C@@H](NC(=O)C1(COC)CCC1)c1ccccc1 299780419 CHWBSYAMLUPSSY-ZDUSSCGKSA-N 290.363 1.407 0 50 CDAA NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 299799997 YMNXKPZHXHPYLF-AWEZNQCLSA-N 261.369 1.554 0 50 CDAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CN)C3)nn1 299799139 VHRHVKPLCIIYGH-SNVBAGLBSA-N 275.283 1.554 0 50 CDAA COc1ccc(F)c(C[C@]2(CCC(=O)O)CCC(=O)N2)c1 299797226 NBICMAPFXSPABD-OAHLLOKOSA-N 295.310 1.890 0 50 CDAA O=C(NCc1nc2c(s1)CCCC2)[C@H]1CCOC1 299796606 RKRAKRBIVQFUBD-VIFPVBQESA-N 266.366 1.675 0 50 CDAA O=C(NC[C@@]1(O)CCNC1)c1cccc(-c2ccncc2)c1 299790766 BPBYGWNNLDFJLS-QGZVFWFLSA-N 297.358 1.203 0 50 CDAA COCC(C)(C)CNC(=O)c1n[nH]c(=O)c2ccccc12 292110093 NIHRMCQRFFPRSW-UHFFFAOYSA-N 289.335 1.326 0 50 CDAA CCCn1nccc1S(=O)(=O)N[C@H](C)c1cnn(C)c1 823033269 NHMHWPSRQWXAJM-SNVBAGLBSA-N 297.384 1.066 0 50 CDAA C[C@H](NS(C)(=O)=O)c1cnn(-c2ccccc2F)c1 822273282 DQDKIFIDRIDANN-VIFPVBQESA-N 283.328 1.622 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2COC[C@H](C1)[C@@H]2NCc1ccccc1 665887149 ARZKMICDROUDPN-DGHZRAPYSA-N 275.348 1.902 0 50 CDAA COc1ccc(Cc2nc(C)n(CCO)n2)cc1OC 670442523 LPAWDWNXCYBVKH-UHFFFAOYSA-N 277.324 1.187 0 50 CDAA COc1cccnc1CNC(=O)C1(C)CCOCC1 1337254391 QOFSWUSJSWZXFS-UHFFFAOYSA-N 264.325 1.523 0 50 CDAA CC(C(=O)N[C@H]1COC[C@H]1Oc1cn[nH]c1)=C1CCC1 685941389 BBPOIOMLJRDVRU-QWHCGFSZSA-N 277.324 1.173 0 50 CDAA O=C1CCCN1c1ccc(CN2CC[C@@H]3CNC[C@@H]32)cc1 1565516915 YEPQSUOASFQEFW-ZBFHGGJFSA-N 285.391 1.607 0 50 CDAA Cc1nn(C)cc1C(=O)Nc1ccc2nc([C@@H](C)O)[nH]c2c1 952974556 JRJXHSFMUGWIFZ-SECBINFHSA-N 299.334 1.910 0 50 CDAA Ic1ccnc2c1OCCO2 66054241 VVTIBPQDMUEQCQ-UHFFFAOYSA-N 263.034 1.457 0 50 CDAA in-vitro CNC(=O)C1CN(C(=O)[C@@H](C)Oc2ccccc2Cl)C1 186137768 KMZFPGIWWNCPCO-SECBINFHSA-N 296.754 1.312 0 50 CDAA CCCc1cc(NC(=O)N2CC(N(C)C)C2)n(C)n1 273428922 SPHAMBZCJHBJEQ-UHFFFAOYSA-N 265.361 1.150 0 50 CDAA CCOC(=O)[C@H]1CNC[C@@]12CCN(C(=O)OC(C)(C)C)C2 91303163 LKKYIMUKDUHHII-IAQYHMDHSA-N 298.383 1.396 0 50 CDAA in-vitro O=C(/C=C\C(=O)OCC(F)(F)F)OCC(F)(F)F 100087581 KZTDZFZLDVZRCF-UPHRSURJSA-N 280.120 1.754 0 50 CDAA in-vitro O=C(Cc1cccc(O)c1)NCCC(=O)NC1CCCC1 170593526 HQQSTDKCABDTMV-UHFFFAOYSA-N 290.363 1.500 0 50 CDAA Cn1nncc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O 408056679 KFNWESDUEYZBFZ-YWPYICTPSA-N 292.383 1.361 0 50 CDAA CC(C)(C)n1cc(CNc2nnc([C@@H]3CCCO3)o2)nn1 191534810 QRWGWRYFTBZNNC-JTQLQIEISA-N 292.343 1.880 0 50 CDAA Cc1c(C(=O)N2CCCO[C@H](CN)C2)cnn1CC(C)C 647089389 IUDVHXVFZWGMCM-CYBMUJFWSA-N 294.399 1.037 0 50 CDAA CCO[C@@H](CNC(=O)c1ccnn1C)c1ccccc1 194140796 WNGFXOJBRXKGLE-AWEZNQCLSA-N 273.336 1.928 0 50 CDAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCNC(=O)[C@@H]2C)C1(C)C 195529872 UBVJULKGHIPRCX-QJPTWQEYSA-N 264.369 1.572 0 50 CDAA O=C(CN1CCO[C@@H](C2CCC2)C1)NCc1cccnc1 566960505 CMIHTXNITCTDSB-OAHLLOKOSA-N 289.379 1.199 0 50 CDAA CC[C@@H](N[C@H]1CCc2nc(COC)nn2C1)C1CCC1 567336063 MELDKJCZXWNORX-QWHCGFSZSA-N 278.400 1.908 0 50 CDAA Cn1cccc1C(=O)N1CCCN(c2ccncc2)CC1 585129876 ANCNCAWOKPFPAT-UHFFFAOYSA-N 284.363 1.773 0 50 CDAA CCOc1cc(C(=O)N2C[C@H](C)N(C)[C@H](C)C2)ccn1 1615538812 DVKMGKGJOKLDEY-TXEJJXNPSA-N 277.368 1.645 0 50 CDAA CCc1cccc(OCC(=O)NC[C@H]2CCCO2)c1 145562 SMPRYKNFPJVTKV-CQSZACIVSA-N 263.337 1.923 0 50 CDAA CCCNC(=O)N1CCN(CC(C)C)[C@H](CCO)C1 1506426433 OOJGIJQQTVSGBN-CYBMUJFWSA-N 271.405 1.131 0 50 CDAA COc1nccnc1N(C)CC[C@@H](C)N1CCCC1 1506408806 XHPBSKFFFQSKDN-GFCCVEGCSA-N 264.373 1.796 0 50 CDAA CCCc1noc(CN(C)C(=O)CCc2cn[nH]c2)n1 1506419528 FBNNFICJIVDVDJ-UHFFFAOYSA-N 277.328 1.336 0 50 CDAA Clc1snnc1CN1CCC[C@H]1c1nc[nH]n1 931133843 IUERTWQCOKLWET-ZETCQYMHSA-N 270.749 1.647 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)C[C@@H](C)N1 225166406 PHBIFRDGEYXRIU-JTNHKYCSSA-N 260.337 1.199 0 50 CDAA O=C(O)c1c[nH]c2c(Br)cccc2c1=O 151634 NKUGXZLINWIUOR-UHFFFAOYSA-N 268.066 1.989 0 50 CDAA in-vitro Oc1n[nH]c(CN2CCC[C@H](CC(F)(F)F)C2)n1 420956156 XVDAWCCDTBADFY-SSDOTTSWSA-N 264.251 1.675 0 50 CDAA C[C@H]1C[C@@H](NS(=O)(=O)[C@@H]2CCO[C@@H]2C)CC[C@H]1C 230470741 JWZXKESRDSNFIL-RXGFPQBGSA-N 275.414 1.908 0 50 CDAA CNCC(=O)N1CCC(OCc2ccccc2F)CC1 252479618 BIRWCOPEEIQQOL-UHFFFAOYSA-N 280.343 1.553 0 50 CDAA CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 379696 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Cc1c(C(=O)NC[C@@H]2CC[C@H](C)N2C)nnn1C(C)C 621982835 KVUMGJCBFIEFNM-JQWIXIFHSA-N 279.388 1.380 0 50 CDAA CC[C@@H](NC(=O)c1cc(F)ccc1O)[C@H]1C[C@H](O)C1 244882634 XVMZQGXAMDVWQT-HLUHBDAQSA-N 267.300 1.811 0 50 CDAA CC[C@H](NC(=O)CN1Cc2ccccc2C1)[C@H]1C[C@H](O)C1 244899898 ZSMXIGVNWFDGKA-JYJNAYRXSA-N 288.391 1.668 0 50 CDAA Cc1ccn2cc(CN(C)Cc3nc(C)no3)nc2c1 244816791 SOMHDMOJBIPJDM-UHFFFAOYSA-N 271.324 1.966 0 50 CDAA CC1=NO[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)C1 243919566 BOXRDMRXRSPBPD-LLVKDONJSA-N 293.392 1.845 0 50 CDAA CC[C@H](C(=O)NCc1cc(COC)[nH]n1)n1cccn1 244794557 QOVXNWCSHNETGC-GFCCVEGCSA-N 277.328 1.020 0 50 CDAA CCN(C[C@@H]1CCN(C)C1)C(=O)CCCC(=O)O 534674683 PYDKNQYOLOUWKH-LLVKDONJSA-N 256.346 1.042 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)c2scnc2C)[nH]1 534650108 FOXYTNBTMQJZIS-MRVPVSSYSA-N 250.327 1.974 0 50 CDAA C[C@H](CCNc1noc(C2CC2)n1)N1CCN(C)CC1 534665449 JOJYVZMSTZECDZ-LLVKDONJSA-N 279.388 1.385 0 50 CDAA O=C(COCc1ccccc1)NCc1nc(C2CC2)no1 534665367 MCCHJROYIUCZGH-UHFFFAOYSA-N 287.319 1.780 0 50 CDAA CCc1nn(C[C@H](O)c2ccc(F)cc2)c(N)c1C(=O)O 1775972898 BIMRCEZUQXVWSO-NSHDSACASA-N 293.298 1.599 0 50 CDAA Cc1c(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)ccn1C 299801020 XXERLRCRHSUKGU-CYBMUJFWSA-N 291.395 1.662 0 50 CDAA O=C(CCN1CCCCCC1=O)N1CCSCC1 827968323 APLCBEVQEZAKHI-UHFFFAOYSA-N 270.398 1.355 0 50 CDAA COc1ccc2ncn(C[C@@H](CO)C(C)C)c(=O)c2c1 584892481 MXNQEABNZLFKCA-NSHDSACASA-N 276.336 1.670 0 50 CDAA O=c1c2cnccc2ncn1Cc1nc(C2CC2)no1 584900774 ZIYZHIVUSGLSIT-UHFFFAOYSA-N 269.264 1.100 0 50 CDAA CCCCS(=O)(=O)N1CCC[C@@H](c2cc(O)ncn2)C1 670470028 CQAJIKVMBXMTGW-LLVKDONJSA-N 299.396 1.492 0 50 CDAA O=C(Cc1c[nH]c2ccccc12)N1CC[C@H](c2nn[nH]n2)C1 1349002329 MFESVMWWLLVUOW-JTQLQIEISA-N 296.334 1.240 0 50 CDAA C[C@@H](CN1CCCCCC1)NC(=O)Cc1ccn[nH]1 185442558 BUJBGYHNKYOCMK-LBPRGKRZSA-N 264.373 1.333 0 50 CDAA CCN(Cc1nc(C)no1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565511852 XDKLVIORVOXNKV-ZJUUUORDSA-N 281.312 1.227 0 50 CDAA CCOc1ncccc1C(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565528334 CPGZFHOHFIDZMP-JQWIXIFHSA-N 289.335 1.030 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cc(C)ccc2C)C1 630249936 PWAIZWQQATZADC-HNNXBMFYSA-N 277.320 1.619 0 50 CDAA O=C(c1ccco1)N1CCC[C@H](NCc2ncc[nH]2)C1 952981522 ZRTKWVJZCLFFTN-NSHDSACASA-N 274.324 1.397 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCC[C@@H]2C(=O)O)s1 269122152 ULNNJVHIMMVXON-ORAHPGNNSA-N 266.322 1.540 0 50 CDAA Cc1cc2ncc(C(=O)N[C@]3(C)CCOC3)c(C)n2n1 270098824 IMZNXSQTDMMPPD-CQSZACIVSA-N 274.324 1.255 0 50 CDAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cocn1 275202851 AREVMBYEFOABAE-GWCFXTLKSA-N 290.323 1.285 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]1CCCCN1 168842664 GOFRIIXIHPTNTK-ZDUSSCGKSA-N 286.379 1.674 0 50 CDAA CCC(=O)N1CC[C@H](N=c2nc(C(F)(F)F)[nH]s2)C1 548746209 HLTKZIHSCNXDBL-LURJTMIESA-N 294.302 1.402 0 50 CDAA CC(=O)OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O 95626796 VSGFDXSAMDSNKW-GJZGRUSLSA-N 263.337 1.433 0 50 CDAA in-vitro CCN(CC)C(=O)CN1CCc2ccc(OC)cc2C1 170593051 IMAWKNKZGYRNKD-UHFFFAOYSA-N 276.380 1.922 0 50 CDAA CC[C@@]1(C)CN(C(=O)NCCCC(C)(C)CO)CCO1 170604319 PNNNAZKOZCQUKO-HNNXBMFYSA-N 286.416 1.996 0 50 CDAA COC(=O)c1cc(CNc2cccnc2N(C)C)c[nH]1 170606912 JNLXFNVAQTVMJL-UHFFFAOYSA-N 274.324 1.874 0 50 CDAA CNC(=O)CSCc1cc2ccccc2n(C)c1=O 408518375 DWCLNXPHUXJCSG-UHFFFAOYSA-N 276.361 1.518 0 50 CDAA CO[C@@H](C)c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 109609500 CMRGIECOIPAGQW-QMMMGPOBSA-N 282.321 1.848 0 50 CDAA Cc1nc(O)c2c(n1)CN(C(=O)[C@@H]1C[C@@H](C)O[C@H]1C)C2 636289421 VFIAZBJQUHAFAL-KHQFGBGNSA-N 277.324 1.146 0 50 CDAA Cc1nn(C)cc1NC(=O)NC[C@@H](c1ccco1)N(C)C 189667154 MXOAHTMRIMITPI-LBPRGKRZSA-N 291.355 1.746 0 50 CDAA Cc1c(C(=O)O)c(=N[C@@H](C)CCO)[nH]c2ccccc12 649391274 BOUNZGQROGHWAX-VIFPVBQESA-N 274.320 1.846 0 50 CDAA CC(C)(CNc1ccc2nncn2n1)c1ccncc1 714258465 WCDHMTDJIQRJTC-UHFFFAOYSA-N 268.324 1.909 0 50 CDAA Cc1ccc(S(=O)(=O)NCc2c(C)n[nH]c2C)cc1F 718331062 HSYQHWRNZGJDTE-UHFFFAOYSA-N 297.355 1.953 0 50 CDAA Cc1cn(C)nc1CN1C[C@H](N)Cc2ccccc21 723971981 UXDQKIHCJLFRMZ-CYBMUJFWSA-N 256.353 1.619 0 50 CDAA CC(C)[C@H](C(=O)N1CCc2c[nH]nc2C1)N1CCCCC1 676829377 JVRZIOMXXYKWMH-OAHLLOKOSA-N 290.411 1.805 0 50 CDAA C=CC(=O)N1CCCN(c2cc(OC)cc(OC)c2)CC1 585091399 VOIGZKWXASLELB-UHFFFAOYSA-N 290.363 1.929 0 50 CDAA O=C(Nc1ccc(F)cn1)N[C@@H]1CCCC12OCCO2 585120135 UPNJDMDGFPHEGT-SNVBAGLBSA-N 281.287 1.638 0 50 CDAA CC(=O)N1CCCCCCNC(=O)[C@@H]2CCC[C@H]21 1614601819 JVEHEFPFPUSMMJ-CHWSQXEVSA-N 252.358 1.694 0 50 CDAA COCCn1cnnc1CN(C)c1ccc(Cl)cn1 1506415365 XAZFGBUPOGWOLQ-UHFFFAOYSA-N 281.747 1.609 0 50 CDAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)CCN)c1 1506420348 DHHAJBUDTDIRJB-JTQLQIEISA-N 261.325 1.489 0 50 CDAA COc1ccc(O[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 514413 GOBAIIFKKDOXSS-SMDDNHRTSA-N 279.336 1.758 0 50 CDAA CCc1n[nH]c([C@@H]2CN([C@@H]3C=CCCC3)CCO2)n1 222074821 SYMPBAXSKPDJBF-NEPJUHHUSA-N 262.357 1.849 0 50 CDAA Cc1nc(CN2CCN(CC(C)C)[C@H](CCO)C2)cs1 1529146914 QWCTVUFDRZEVEZ-OAHLLOKOSA-N 297.468 1.976 0 50 CDAA COc1ccc(CN2C[C@@H](O)[C@H](Cc3ccncc3)C2)cn1 1529194601 ARNJDVZSKMQXDA-HZPDHXFCSA-N 299.374 1.521 0 50 CDAA Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCCO[C@H](C)C1 673739313 PPMNGELBZMMLNE-SSDOTTSWSA-N 291.273 1.988 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1Cc1noc(-c2ccccc2)n1 1800411099 FITZEIPTRQYPPX-VXGBXAGGSA-N 284.319 1.199 0 50 CDAA N[C@@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 158097431 NSNAAWQBBBESKC-SECBINFHSA-N 286.734 1.808 0 50 CDAA O=C([C@@H](O)c1cccc(F)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775983482 YSSTTXCLMNPHGT-XCCSTKFXSA-N 279.311 1.088 0 50 CDAA CC[C@@H]1CN(c2nnc(C(C)(C)N)o2)CCN1C(C)C 1772707137 WLDXUYWVEUCIPL-LLVKDONJSA-N 281.404 1.572 0 50 CDAA O=C([C@@H](O)c1cccc(Cl)c1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775978619 GDQZGBKDZFNPNM-UNJBNNCHSA-N 295.766 1.603 0 50 CDAA CN1C(N)=NC(=O)/C1=C/c1cc2c(cc1Cl)OCO2 5090899 ISNXQJLGNZNVHF-WAPJZHGLSA-N 279.683 1.196 0 50 CDAA CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1N 11866581 VRVBLJFONXYXFK-UHFFFAOYSA-N 279.340 1.523 0 50 CDAA COC(=O)c1ccc2c(=O)n(Cc3ccco3)cnc2c1 11866586 YARPVWDAOMQCMY-UHFFFAOYSA-N 284.271 1.824 0 50 CDAA CC(C)NC[C@@]1(O)CCCN(CC2CCCCC2)C1=O 12090402 KWXQLIJPPGRXGV-INIZCTEOSA-N 282.428 1.918 0 50 CDAA CCN1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1 19899632 JMNXWFGBYXLBAQ-AWEZNQCLSA-N 287.407 1.602 0 50 CDAA CC(C)(C)OC(=O)N1CCC(=O)[C@H]([C@H]2CCOC2)C1 160084156 KBUQDRZZOYOBLV-QWRGUYRKSA-N 269.341 1.849 0 50 CDAA CCN(CC)CCNC(=O)c1cc(=O)[nH]c2ccccc12 4809894 KDFVIAUORAJGAK-UHFFFAOYSA-N 287.363 1.600 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NC2CCN(C)CC2)c(C)c1 6699294 ADABUHYHNQDLQT-UHFFFAOYSA-N 296.436 1.984 0 50 CDAA COCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 2877455 ZYIPLPYKTLYYNC-NSHDSACASA-N 280.349 1.252 0 50 CDAA Cc1cnnc(N2CCC[C@H](CN3CCOCC3)C2)c1C 1857668728 HZMVUSWXYPECOQ-OAHLLOKOSA-N 290.411 1.642 0 50 CDAA CCN1CCN(C(=O)c2cc[nH]c2C)C[C@@H]1c1ncc[nH]1 328623088 IVOUQECFAYAQHJ-CYBMUJFWSA-N 287.367 1.565 0 50 CDAA C[C@@H]1CCN(c2cc(N[C@H]3CCCOC3)ncn2)C1 328646137 SKGPUVFIBNXMAK-NEPJUHHUSA-N 262.357 1.914 0 50 CDAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1ccncc1Cl 232288740 ANPNBCWTBGYHRH-MWLCHTKSSA-N 279.727 1.086 0 50 CDAA c1cc(-c2nc(-c3cnc4cnccn34)no2)ccn1 350852385 PCUPVQFOYCVHLM-UHFFFAOYSA-N 264.248 1.841 0 50 CDAA CCCN(CC(=O)O)C(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 253369426 CIOUUXNVZKBXME-QSFUFRPTSA-N 251.326 1.602 0 50 CDAA COc1nc(C)cc(N2CCC(c3nncn3C)CC2)n1 679633812 SFZZKPNPQOJCKH-UHFFFAOYSA-N 288.355 1.306 0 50 CDAA c1cc2nc[nH]c2c(N2CCN3CCCC[C@H]3C2)n1 863982503 PSSNTYWPGZYJOB-NSHDSACASA-N 257.341 1.632 0 50 CDAA OCCc1cn(Cc2ccns2)nc1C(F)(F)F 874434777 DOCQQEWBVISMTA-UHFFFAOYSA-N 277.271 1.942 0 50 CDAA O=C(NC1(c2ncon2)CCC1)c1ccccc1O 952995409 LGPQKZLYHKSKIV-UHFFFAOYSA-N 259.265 1.584 0 50 CDAA Oc1ccc([C@H](O)CN=c2[nH]cnc3c2CCC3)cc1 1875279544 VTXROJAFYSGPJI-CQSZACIVSA-N 271.320 1.238 0 50 CDAA CCc1nc(CNC(=O)N2CCCCCC2)no1 1875291315 VCLUOJFMOJTWSS-UHFFFAOYSA-N 252.318 1.718 0 50 CDAA CC(C)C(=O)N1CCC[C@@H](C(=O)N(C)c2ccccn2)C1 1875259568 LBRQEOWOWJWQCG-CYBMUJFWSA-N 289.379 1.939 0 50 CDAA N[C@H](c1cn(C[C@@H]2CCCC[C@H]2O)nn1)[C@@H]1CCCO1 1875269974 FSZMIUOXCFLTFJ-AHLTXXRQSA-N 280.372 1.008 0 50 CDAA O=C(N[C@@H]1CCc2ccccc21)[C@H](O)CN1CCCC1 1875308734 ULECYPVYRAAZHU-HUUCEWRRSA-N 274.364 1.247 0 50 CDAA CC(C)OC(=O)CCNC(=O)N1CC[C@H]1C(F)(F)F 888097514 MWWWTXPEMIWLFO-QMMMGPOBSA-N 282.262 1.674 0 50 CDAA Nc1ccc([C@@H]2CCCN2C(=O)c2ccc[nH]2)nn1 888077003 CDRZCTGTCHSXIV-NSHDSACASA-N 257.297 1.364 0 50 CDAA CC(C)C[C@H](CNC(=O)/C=C/c1ncc[nH]1)CC(=O)O 888099314 ZINMJCFTKBWYQJ-UFFNRZRYSA-N 279.340 1.676 0 50 CDAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1cocn1 1775959347 PWXOUESBMBELRX-DOMZBBRYSA-N 290.367 1.892 0 50 CDAA CCC(CC)C(=O)NCc1cn(/C=C(\C)C(=O)OC)nn1 1775985450 GORBMPKHQOLGPI-CSKARUKUSA-N 294.355 1.364 0 50 CDAA CNC(=O)c1ccc(NC(=O)[C@H](N)CCSC)c(C)c1 130843038 YVQRDFYQBPMCIG-LLVKDONJSA-N 295.408 1.374 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)[C@H]1CN 252097217 FREMGPMCPWVKSK-OLZOCXBDSA-N 289.445 1.166 0 50 CDAA CC(C)(C)c1ncc(CN2CC[C@@H](C(N)=O)C2)s1 157183865 PDGDEIXCBQVOJZ-SECBINFHSA-N 267.398 1.748 0 50 CDAA CCc1ccnc(C(=O)N(C2CC2)[C@H](C)C(=O)O)c1 263553113 MIUNFSXLOCNAMS-SECBINFHSA-N 262.309 1.722 0 50 CDAA CC1(C)CCC[C@H](C(=O)N[C@@H]2CCC(=O)NC2=O)C1 179068293 YBMKAZIJIAOCIY-VHSXEESVSA-N 266.341 1.124 0 50 CDAA COCC1(CNC(=O)c2ccc(O)cc2F)CC1 534576729 MADCEPMIZBQPSN-UHFFFAOYSA-N 253.273 1.688 0 50 CDAA CCC[C@@H](C(=O)O)N1CCO[C@@H](c2cnn(C)c2)C1 582852206 YBSOBCATNNHCSN-NWDGAFQWSA-N 267.329 1.047 0 50 CDAA Cc1cnc(C(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)cn1 379285597 SMNGPFBTCRHFJI-SCZZXKLOSA-N 288.273 1.279 0 50 CDAA Nc1ccccc1Oc1nnnn1-c1ccc(C(=O)O)cc1 112360 OWIDFZKCDWAZDY-UHFFFAOYSA-N 297.274 1.735 0 50 CDAA Cc1nc(C2CC2)sc1CC(=O)NO[C@@H]1CCOC1 2325766428 OINZQVUERCMSGQ-SNVBAGLBSA-N 282.365 1.708 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(C(=O)c3scnc3C3CC3)CC[C@H]21 910839359 BEGAVULFWRWEKA-KXUCPTDWSA-N 292.360 1.813 0 50 CDAA O=C(O)Cc1cc2c(cc1Br)OCO2 1628300 OEKSRUJGTGXBMM-UHFFFAOYSA-N 259.055 1.805 0 50 CDAA NC1=NC(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S1 2227994 WJSYVWNZCZWFIX-QMMMGPOBSA-N 283.740 1.625 0 50 CDAA N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1 3894433 FQLXKOCHDBPFLL-CQSZACIVSA-N 283.331 1.947 0 50 CDAA biogenic CCCn1cnc(NC(=O)c2cnn3cc(C)cnc23)n1 2356169497 SEUCIECFNICEDM-UHFFFAOYSA-N 285.311 1.292 0 50 CDAA COC(=O)c1ccc(C)c(NC(=O)c2ccnn2C)c1 6726830 IVPDZCGKTRDPND-UHFFFAOYSA-N 273.292 1.767 0 50 CDAA Cc1nnc(NC(=O)N2CCCC[C@H]2CCO)s1 55281842 FMBNWJJSLCQMOE-VIFPVBQESA-N 270.358 1.615 0 50 CDAA OC1(CNCc2c(F)cccc2F)CCOCC1 112717073 MHASWVMHZJOYTB-UHFFFAOYSA-N 257.280 1.596 0 50 CDAA CN1CCN(CCCC2CCCC2)C[C@H]1CCO 104386130 IEAVKJMXPCCZFU-OAHLLOKOSA-N 254.418 1.955 0 50 CDAA Cc1noc([C@@H]2CCN(Cc3c(Cl)cnn3C)C2)n1 344843027 GGYYCNDLDOMLPU-SECBINFHSA-N 281.747 1.754 0 50 CDAA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CCN1CCCCC1 100104595 SHZOHIJTDOCLRY-QWHCGFSZSA-N 296.798 1.990 0 50 CDAA COCC(=O)N1CCCN(C(=O)C[C@H]2C=CCC2)CC1 67852232 BJHONJFZPAAQRH-ZDUSSCGKSA-N 280.368 1.050 0 50 CDAA Cn1nccc1C[C@@H](CO)CNC(=O)OC(C)(C)C 170618326 ZHCIDXZZLYTWGU-SNVBAGLBSA-N 269.345 1.096 0 50 CDAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@H]1CCCO1 248105783 FUIKKEACYSUBOZ-MCIONIFRSA-N 266.385 1.641 0 50 CDAA CN(Cc1ccccc1F)C(=O)CN1C[C@@H](F)C[C@H]1CO 346355731 IGMCDRBFWRGALP-STQMWFEESA-N 298.333 1.189 0 50 CDAA Cn1c(CCNC(=O)[C@@H]2CCOC2)nc2ccccc21 114126788 XOGOWSSOFFDVHC-LLVKDONJSA-N 273.336 1.269 0 50 CDAA COc1ccc(CC(=O)N2CCNC[C@@H]2C)c(Cl)c1 125426789 SXMBWOCKCAPCHZ-JTQLQIEISA-N 282.771 1.711 0 50 CDAA Cc1ccc(CC(=O)Nc2nc(SCCO)n[nH]2)cc1 120763226 CJSBBLLWNDZTTK-UHFFFAOYSA-N 292.364 1.379 0 50 CDAA C[C@@H](c1n[nH]c(=O)n1Cc1ccccc1)n1ccnc1 65435640 PITYNERDNPPSLS-NSHDSACASA-N 269.308 1.426 0 50 CDAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1ccco1 252505754 MOPLBTVVUMRJRL-LWWSYDQCSA-N 291.347 1.916 0 50 CDAA CSc1ncc(CNC(=O)Cc2ccccn2)n1C 219104975 VHTGDBTYUNWPAX-UHFFFAOYSA-N 276.365 1.396 0 50 CDAA CN1CCN(C(=O)CCc2ccccc2)C[C@H]1c1ncc[nH]1 328625033 KHHUJPMYKWPMNY-HNNXBMFYSA-N 298.390 1.858 0 50 CDAA O=C(Cc1ccccc1F)N=c1ccn([C@@H]2CCNC2)[nH]1 328615609 AYRINISLACPCPB-GFCCVEGCSA-N 288.326 1.160 0 50 CDAA COc1cc(S(=O)(=O)N2CCN=C2C)ccc1F 36636285 PXRIHKPPHRKXDN-UHFFFAOYSA-N 272.301 1.257 0 50 CDAA CO[C@H]1CCC[C@@H](c2nc(-c3cnc(C)[nH]c3=N)no2)C1 328816424 CWEKAYDFTZJPJJ-ZJUUUORDSA-N 289.339 1.920 0 50 CDAA C[C@H]1CN(CCN2CCC[C@@H](c3nccn3C)C2)CCO1 253398507 UKHJZGFHMQZQAB-LSDHHAIUSA-N 292.427 1.320 0 50 CDAA C[C@H](NC(=O)c1c(O)cccc1F)[C@H]1CCOC1 126323335 ZZJJFMNYZQFJOV-IUCAKERBSA-N 253.273 1.686 0 50 CDAA CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H]2CC[C@H](N)C2)C1(C)C 262628372 JPXDPODOXGTKQA-OXJKWZBOSA-N 268.401 1.776 0 50 CDAA Cn1ccnc1C(=O)N1CCC(C(F)(F)F)CC1 75537490 HUXXWNMOJADZIV-UHFFFAOYSA-N 261.247 1.835 0 50 CDAA O=C1[C@H](Nc2ncnc3[nH]ccc23)CN1c1ccccc1 368235794 QHTHLBVGYPNBLP-GFCCVEGCSA-N 279.303 1.785 0 50 CDAA NC(=O)Cc1occc1C(=O)N1CC[C@H](c2ccco2)C1 368511887 NUULXWLHKHWAJI-JTQLQIEISA-N 288.303 1.530 0 50 CDAA COCC(=O)N1CCC[C@H](COc2ccc(OC)cc2)C1 77428205 VCIUFZIGJHPGKB-ZDUSSCGKSA-N 293.363 1.959 0 50 CDAA COc1ccc(-c2c[nH]c(=O)[nH]c2=O)c2cccnc12 32553468 LHSBFMRPDWXRBU-UHFFFAOYSA-N 269.260 1.287 0 50 CDAA O[C@H](Cn1ccnc1-c1cccnc1)C(F)(F)F 77440245 ZXDDXQDCVIHLNC-SECBINFHSA-N 257.215 1.868 0 50 CDAA CN(C)c1ccc(CC(=O)NCCN2CCCC2=O)cc1 219762102 SHBBGVHQQKSNNW-UHFFFAOYSA-N 289.379 1.034 0 50 CDAA O=C([C@@H]1CCNC1)N1CCO[C@H](c2ccccc2F)C1 237876738 HXVUXPGRTVYVGQ-RISCZKNCSA-N 278.327 1.335 0 50 CDAA Brc1cncc(N2C[C@H]3CC[C@H]2CN3)c1 335007191 GKVUKOLHAFKUDK-ZJUUUORDSA-N 268.158 1.785 0 50 CDAA Cn1nccc1S(=O)(=O)N1CCC[C@]2(CC=CCC2)C1 335326563 HUZAREHBNRKAIG-CQSZACIVSA-N 295.408 1.931 0 50 CDAA CNC(=O)c1cc2cc(NC(=O)C3CC3)ccc2[nH]1 336065284 SEWXXFSBDFQYEH-UHFFFAOYSA-N 257.293 1.876 0 50 CDAA CCc1cc(CN2CCC[C@@](O)(CN(C)C)CC2)on1 72133621 UJSAQHNZLFRTHH-HNNXBMFYSA-N 281.400 1.516 0 50 CDAA COC[C@@H]1CN(C(=O)c2occc2C)CC(C)(C)O1 285538396 PUHBBROZVQOROZ-NSHDSACASA-N 267.325 1.854 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)Cc2cc(F)ccc2F)[C@H]1OC 239654478 BNYAWSRLFXUWHJ-GZBFAFLISA-N 299.317 1.816 0 50 CDAA CCOC(=O)CN(Cc1cnc(OC)nc1C)C1CC1 337143645 VTXIQFRPCOCECS-UHFFFAOYSA-N 279.340 1.321 0 50 CDAA Cn1nnc(-c2ccc(-n3ccnc3[C@H]3CCOC3)cc2)n1 77407017 HUFPWLXJWNSXKX-LBPRGKRZSA-N 296.334 1.567 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)C1 241383581 MWJXHMFIARSGHU-IJLUTSLNSA-N 276.402 1.120 0 50 CDAA CC[C@@H](NC(=O)c1cc(O)ccc1C)C1CC(O)C1 220233302 NMAKTIPETRQSJJ-MMWSSPAHSA-N 263.337 1.980 0 50 CDAA CNC(=O)[C@@H](NC(=O)c1ccncc1)c1ccccc1 47918270 MMBYPNKBQQHSAL-ZDUSSCGKSA-N 269.304 1.299 0 50 CDAA CCO[C@H](C)C(=O)NCc1sc(COC)nc1C 426602550 SECVDTNYTKVAOJ-SECBINFHSA-N 272.370 1.639 0 50 CDAA CC(C)[C@@H](NC(=O)Cc1cnccn1)c1cccnc1 222868759 MWLGWHHEDNPIGT-OAHLLOKOSA-N 270.336 1.928 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CC[C@@H](CN)C1 426534414 GVJCCNJHCZZCPZ-VIFPVBQESA-N 274.290 1.584 0 50 CDAA Cc1ocnc1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 194234752 BTAWYUWCVFLORB-LLVKDONJSA-N 287.323 1.172 0 50 CDAA COC(=O)c1n[nH]c([Si](C)(C)C)c1[Si](C)(C)C 195785882 MPBBHKROGPMCJY-UHFFFAOYSA-N 270.481 1.287 0 50 CDAA COCCCN1CCC[C@@H](c2ccnn2CC(=O)O)C1 426387233 HXNFUGNKBSIRIG-GFCCVEGCSA-N 281.356 1.184 0 50 CDAA Cn1c(SCCn2cccn2)nnc1C1CCNCC1 426728299 PXVSHVOCVLAACE-UHFFFAOYSA-N 292.412 1.271 0 50 CDAA O=C(NCCOc1cccc2cccnc12)[C@@H]1CCCO1 223154228 QRFQTUFMNAZBSV-AWEZNQCLSA-N 286.331 1.909 0 50 CDAA CN(C[C@H]1Cc2ccccc2CN1C)c1ccncn1 91876924 YBYZTHMPAVXXHO-OAHLLOKOSA-N 268.364 1.970 0 50 CDAA O=C(Nc1cccc2cnccc12)N1CCOC[C@H](O)C1 97436798 NHKUDBMBZOCHRZ-GFCCVEGCSA-N 287.319 1.460 0 50 CDAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)NCCc1cnc[nH]1)C2 426470677 PIHQDYLCNUEFGW-JSGCOSHPSA-N 291.399 1.078 0 50 CDAA CC[C@H](CO)N(Cc1ccco1)C(=O)c1cn[nH]c1C 142655058 AZWBYPCJWWJRRH-LLVKDONJSA-N 277.324 1.724 0 50 CDAA CCn1ccc(=NC(=O)[C@@H]2CN(C)C(=O)c3ccccc32)[nH]1 618042594 CLUZMWPJUDAIDZ-CYBMUJFWSA-N 298.346 1.133 0 50 CDAA COCC[C@]1(O)CCN(C(=O)CCSC)C[C@H]1C 91713470 FPNLZMKTLXIROM-DGCLKSJQSA-N 275.414 1.376 0 50 CDAA O=C(NCc1ccon1)c1cccc(-c2ncc[nH]2)c1 97674421 FPGFPEOIYJEXRE-UHFFFAOYSA-N 268.276 1.995 0 50 CDAA Cc1cc(C)n2nc(-c3nc([C@H]4CCOC4)no3)cc2n1 96179891 BKQZRRUNKRKALP-JTQLQIEISA-N 285.307 1.900 0 50 CDAA COCCCN1CC[C@H](CNc2ccncn2)C1 91933469 GDRWIFJULDUEAW-GFCCVEGCSA-N 250.346 1.247 0 50 CDAA CSCc1noc(CN2CC(N3CCCCC3)C2)n1 244873045 WJFDUVHCGRSOAS-UHFFFAOYSA-N 282.413 1.603 0 50 CDAA Cc1cc(CN(C)CCC(=O)Nc2cccnc2)no1 252481668 CQEBWAFXMUKFCL-UHFFFAOYSA-N 274.324 1.839 0 50 CDAA O=c1cnc(Br)cn1Cc1ccncc1 255187638 FUDVBFDUXLDKTC-UHFFFAOYSA-N 266.098 1.449 0 50 CDAA Cc1cccc(-n2cc(CN3CC[C@H]3C(=O)O)cn2)c1 252482644 DLPPJTDNPUTOOR-AWEZNQCLSA-N 271.320 1.840 0 50 CDAA CC1CCN(CC(=O)N2CCC[C@H]2Cn2ccnn2)CC1 299742370 HJUFLWQYDLKCIA-AWEZNQCLSA-N 291.399 1.001 0 50 CDAA COC(=O)C1=C(C(=O)OC)[C@H]2C[C@H]1[C@@]13O[C@]21[C@H]1CC[C@H]3C1 257358530 UZHVKNCUSOBTKI-DIJFLKRASA-N 290.315 1.216 0 50 CDAA Cc1cccnc1[C@@H](NS(=O)(=O)N(C)C)C1CC1 534580417 TTZOOKUPYVGJRG-LBPRGKRZSA-N 269.370 1.237 0 50 CDAA O=C(O)[C@H]1CCCN1Cc1cnc(-c2ccco2)nc1 534587695 HMKBOLVWTHLULP-LLVKDONJSA-N 273.292 1.786 0 50 CDAA O=C(N[C@@H]1CCOCCC1(F)F)[C@@H](F)C1CC1 2325798665 NJOPDHMZFBCPEY-BDAKNGLRSA-N 251.248 1.665 0 50 CDAA Cn1nccc1CN1CCN(CCc2ccccc2)C(=O)C1 828286377 AITJRWJOQXPJGU-UHFFFAOYSA-N 298.390 1.307 0 50 CDAA Cc1ccc(S(=O)(=O)CCc2cn[nH]c2)cc1 585136879 XBZAVMJYMOOQED-UHFFFAOYSA-N 250.323 1.735 0 50 CDAA Cc1cccc(N2C[C@H](NC(=O)c3ccno3)CC2=O)c1 670449505 ZZUIVUAMTJFUHE-LLVKDONJSA-N 285.303 1.518 0 50 CDAA CCC1(CC)CN([C@H]2CCNC(=O)CC2)CCO1 670436523 ZFNQGVCDUSOUEJ-GFCCVEGCSA-N 254.374 1.546 0 50 CDAA CCn1cc(Cl)c(NC(=O)[C@]23CC[C@H]2CNC3)n1 1358062601 POEFWMHYWYSXFF-UFBFGSQYSA-N 268.748 1.495 0 50 CDAA Cc1sc2ccccc2c1CN1C[C@H](N)[C@@H](O)C1 1565516691 LPIDZPNDIYTFMG-STQMWFEESA-N 262.378 1.714 0 50 CDAA CN(CC(=O)O)c1ncc(CN2C[C@H]3CCC[C@@H]2C3)cn1 1565529051 RYWHQOXPHJDYCN-WCQYABFASA-N 290.367 1.372 0 50 CDAA CCN1CCC[C@H]1CNC1CSCCSC1 952989979 QFOBDWVNQGPBOX-LBPRGKRZSA-N 260.472 1.909 0 50 CDAA COc1ccc(F)c(CNCCN2CCC[C@@H](CO)C2)c1 952972883 HCUBPNPNLLRIDR-CYBMUJFWSA-N 296.386 1.628 0 50 CDAA O=C(c1ccncc1)N1CCC(NCCc2cn[nH]c2)CC1 952987033 NKAIVVZIAWPLJM-UHFFFAOYSA-N 299.378 1.242 0 50 CDAA CCc1ccc(CNCCN2CCC[C@@H](CO)C2)nc1 952970992 QZEARQXICOZDAB-OAHLLOKOSA-N 277.412 1.438 0 50 CDAA Cc1cc2cc(NC(=O)Cn3cccnc3=O)ccc2o1 952864325 YHXLYABDDKZWRX-UHFFFAOYSA-N 283.287 1.937 0 50 CDAA CC(C)n1cc(CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)cn1 1592126962 QTRDNGCWPSEEFJ-DZGCQCFKSA-N 293.367 1.387 0 50 CDAA CC(C)OCCC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 275582027 JRERSMCHASXVEH-CYBMUJFWSA-N 294.399 1.050 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNC(=O)C2CCC2)C1(C)C 170090037 FCWQMEKTUDGHDA-BXUZGUMPSA-N 255.358 1.469 0 50 CDAA CCCNC(=O)Cc1csc(N2CCCC2=O)n1 170102764 SGIKFODZLJYRMN-UHFFFAOYSA-N 267.354 1.339 0 50 CDAA CC(C)(C)OC(=O)N1Cc2cn[nH]c2[C@@H](C(=O)O)C1 202287512 MVVKXXXXYJBZQZ-QMMMGPOBSA-N 267.285 1.329 0 50 CDAA CCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)O 304231003 KRUDTFLUXLQHEB-JTQLQIEISA-N 263.359 1.349 0 50 CDAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cc1cncn1C 187176161 LWRZQOSJKYDXQR-CYBMUJFWSA-N 298.390 1.830 0 50 CDAA CC(C)(C)c1nsc(NC[C@@]2(O)CCOC2)n1 189009844 HQFHXJBTMPNQKU-NSHDSACASA-N 257.359 1.399 0 50 CDAA O=C1[C@H](n2cc(CCCO)nn2)CCN1C1CCCCC1 641108184 XPCSWCRIHHFIQO-CQSZACIVSA-N 292.383 1.309 0 50 CDAA Cc1c(C(=O)Nc2ccn(CC(=O)O)n2)cnn1C(C)C 190944972 LCXMTAWRQNJJQP-UHFFFAOYSA-N 291.311 1.306 0 50 CDAA CO[C@H](C)C(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1 191421214 QYZGFRUNCWBMDN-NXEZZACHSA-N 265.309 1.923 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 649072629 GDTKSNKMAHQYAL-JHJVBQTASA-N 281.400 1.001 0 50 CDAA CCN(C(=O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O 663126517 XSUBSNODVOLSRL-VIFPVBQESA-N 251.282 1.256 0 50 CDAA Cc1nc(C)c(F)c(N2CCC(c3cc(N)n[nH]3)CC2)n1 674747825 QLRUSJARYBZNPN-UHFFFAOYSA-N 290.346 1.922 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)O 676034357 DHKLVENYPLOOBZ-SUZMYJTESA-N 279.311 1.841 0 50 CDAA Cc1cnc(CN(C)CC(C)(C)CN2CCOCC2)[nH]1 583650821 CCVSHUSPUZSPBC-UHFFFAOYSA-N 280.416 1.508 0 50 CDAA C[C@@H](CNC(=O)c1occ2c1CCC2)N1CCCCC1=O 585081953 IVOFZYKNRDYGTO-NSHDSACASA-N 290.363 1.899 0 50 CDAA O=C(NC[C@H](O)c1ccc(F)cc1)[C@H]1C[C@H]2C=C[C@H]1NC2 585136719 QIPUUXVPUBTHIC-KAOXEZKKSA-N 290.338 1.139 0 50 CDAA COC(=O)c1cnc(NC(=O)[C@@H](C)C2CC2)c(O)c1 1615585706 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C[C@H]1CN(C[C@H](O)COC[C@@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 105606599 ANKWUKCNMZCSMB-FQMQPWHVSA-N 297.439 1.909 0 50 CDAA CN1CCN(C(=O)CCc2ccoc2)C[C@H]1c1ncc[nH]1 328619510 FXYLJQPEVRZOSU-ZDUSSCGKSA-N 288.351 1.451 0 50 CDAA Cc1oc(C(C)C)nc1C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 329124224 XMNOEONEAJQAIM-SDDRHHMPSA-N 278.352 1.949 0 50 CDAA C[C@@H](C(=O)NC[C@H]1CCC2(CCCCC2)O1)n1cncn1 332955763 HWXXOUYFDOZEFP-QWHCGFSZSA-N 292.383 1.837 0 50 CDAA O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCNC1 163461007 HAMRNOHFHZIBRE-VIFPVBQESA-N 274.349 1.753 0 50 CDAA C[C@@H](NC(=O)c1ccc(O)cc1F)[C@@H]1CCOC1 164085852 YZNMOMNIQPTZJC-RKDXNWHRSA-N 253.273 1.686 0 50 CDAA CCS(=O)(=O)N1CCN(c2ccccc2C)CC1 6715482 HDNAQHAUWNUASF-UHFFFAOYSA-N 268.382 1.467 0 50 CDAA C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(CN)cc1 1263105819 ZIPZKHSODSNVAZ-SNVBAGLBSA-N 258.325 1.686 0 50 CDAA O=C(NCCc1cc[nH]n1)c1cccc2c1OCC2 1123889642 PJYBFDPOWKQQMW-UHFFFAOYSA-N 257.293 1.317 0 50 CDAA Cc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cn1 864275296 VKXWLKKDPDEKHA-ZDUSSCGKSA-N 292.335 1.247 0 50 CDAA Cc1cc(CNS(=O)(=O)[C@@H]2CC[C@H](C)C2)n[nH]1 1875298090 OBPVYQAJRCASOB-GZMMTYOYSA-N 257.359 1.326 0 50 CDAA N[C@@H]1CCCC12CCN(C(=O)[C@@H]1CC[C@H](C(=O)O)C1)CC2 1875290728 AQRGOTINDNKDFA-FRRDWIJNSA-N 294.395 1.607 0 50 CDAA O=C(N1CC(c2nc(-c3ccccc3)no2)C1)C1(O)CC1 1875295313 FXCRREDRMUXTQB-UHFFFAOYSA-N 285.303 1.187 0 50 CDAA O=C(NC[C@@H]1CCO[C@@H]1c1nc[nH]n1)C1CCCC1 1875274472 BFZYLNAGDOWLDT-QWRGUYRKSA-N 264.329 1.189 0 50 CDAA O=C(NC1CCCC1)NS(=O)(=O)C1CCCC1 1875330323 NWTCVPFYOSCKKA-UHFFFAOYSA-N 260.359 1.501 0 50 CDAA Cc1noc(=O)n1CC(C)(C)ONC(=O)OC(C)(C)C 1875391532 UEAMKWLABRLZGT-UHFFFAOYSA-N 287.316 1.380 0 50 CDAA CC(C)C[N@@]1C[C@@H]1COc1ccc(S(C)(=O)=O)cc1 1875380805 AKLIWKXNKNMLKT-DOMZBBRYSA-N 283.393 1.809 0 50 CDAA CC(C)CCOc1cccc(NC(=O)c2nnn(C)n2)c1 878432271 PLNPTDYRVLUOSZ-UHFFFAOYSA-N 289.339 1.887 0 50 CDAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)C(F)=C(C)C)C1 886072048 LVAROUMZTKCQSE-BDAKNGLRSA-N 268.292 1.357 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)OCC12CCC2 1772716532 BFPZFWCCXIOPSM-VIFPVBQESA-N 271.313 1.630 0 50 CDAA CCN1CCN(CCNCc2cc(OC)ccc2F)CC1 1775984728 XWATXMMFXWCUEF-UHFFFAOYSA-N 295.402 1.561 0 50 CDAA O=C(O)c1[nH]c2ccccc2c1CCNC(=O)[C@@H]1C[C@H]1F 1776003169 DOLJCDNIQINVPZ-GHMZBOCLSA-N 290.294 1.883 0 50 CDAA C[C@H](Nc1ncnc(N)c1Cl)c1nnc2ccccn12 302781193 JFBFCLPLBVDXDQ-ZETCQYMHSA-N 289.730 1.928 0 50 CDAA Cc1cccc(CCN2CCN(C(=O)C3CC3)CC2)n1 584229077 FWEOUGHDUXFYBQ-UHFFFAOYSA-N 273.380 1.487 0 50 CDAA O=C([C@@H]1C[C@@H]2CC[C@H]1O2)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 2325787088 NIVZQMOKAUNYNM-ZUSNOYAUSA-N 293.363 1.657 0 50 CDAA O=C(c1cc2c(s1)CCCCC2)N1CC[C@H](O)[C@@H](O)C1 72167453 UILSHCVPWWLQQA-RYUDHWBXSA-N 295.404 1.585 0 50 CDAA C[C@@H]1CCCC[C@H]1CCNC(=O)c1cn(CC(=O)O)nn1 901805922 NZJFKCLXHZCSGV-MNOVXSKESA-N 294.355 1.309 0 50 CDAA COc1cccc(C2(c3noc(C(N)=O)n3)CCC2)c1 904074793 RSRYOUBCIKAIFP-UHFFFAOYSA-N 273.292 1.647 0 50 CDAA COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 50226 YSILPCFQYCQJDY-MRVPVSSYSA-N 298.136 1.975 0 50 CDAA O=C(Nn1cnnc1)c1cc(Cl)ccc1Cl 60732 KWXSWZPUOHUIJO-UHFFFAOYSA-N 257.080 1.969 0 50 CDAA CCN1CCC(N(CCO)Cc2ccccc2)CC1 227139 YQUVMZLPCPKABT-UHFFFAOYSA-N 262.397 1.965 0 50 CDAA CC(C)NC1(C(N)=O)CCN(Cc2ccccc2)CC1 393552 MSWWMXGLWBQMNG-UHFFFAOYSA-N 275.396 1.505 0 50 CDAA in-vitro CCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)cc1 528805 MIUWDACDULOMSV-UHFFFAOYSA-N 290.772 1.097 0 50 CDAA O=C1NCCCCC1(Br)Br 1723216 KJIRIIANVAJNNI-UHFFFAOYSA-N 270.952 1.773 0 50 CDAA CCCOc1ccc(C(=O)Nc2nnn(CC)n2)cc1 4501748 HZYJGUZAEPOQRD-UHFFFAOYSA-N 275.312 1.734 0 50 CDAA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C)s1 4502635 FKDAPDXCPRRDSE-JTQLQIEISA-N 291.336 1.505 0 50 CDAA CCOc1cc(CO)ccc1OCC(=O)NC(C)(C)C 4840372 LVCMIRGVBFFRLH-UHFFFAOYSA-N 281.352 1.871 0 50 CDAA CON(C)C(=O)[C@H](C)NC(=O)OCc1ccccc1 6425549 JJWLCBIYQXRMNO-JTQLQIEISA-N 266.297 1.321 0 50 CDAA COCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 10463154 NVWDZIKWWPOGCG-UHFFFAOYSA-N 299.270 1.510 0 50 CDAA CO[C@H]1CCC[C@H]1NC(=O)COCc1ccccc1 225469304 DYFKLPAUYWZGAG-KGLIPLIRSA-N 263.337 1.887 0 50 CDAA COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(C)=O 8782286 OUJXHDZOEMJPOP-UHFFFAOYSA-N 288.347 1.831 0 50 CDAA Cc1nn(C)c(Cl)c1CNCC1(O)CCOCC1 134334040 JOGIUVCUYMCWGO-UHFFFAOYSA-N 273.764 1.013 0 50 CDAA CN1CC[C@H](NC(=O)CCCc2cccs2)C1=O 20534166 PXJOLAXFLUIYOK-NSHDSACASA-N 266.366 1.418 0 50 CDAA Cc1ccccc1[C@H](C(=O)N1CCCOCC1)N(C)C 65489750 SUFPMANWCWWWFN-OAHLLOKOSA-N 276.380 1.847 0 50 CDAA Cc1cc(-n2nc(C3CC3)nc2-c2n[nH]c(N)n2)ccn1 67965736 ASNKFXMGLCAASM-UHFFFAOYSA-N 282.311 1.215 0 50 CDAA NCCc1n[nH]c(=O)n1-c1cccc(Cl)c1Cl 65426259 AKYOHDWBBSXUJF-UHFFFAOYSA-N 273.123 1.369 0 50 CDAA Cc1occc1C(=O)N(C)C[C@H](C)N1CCOCC1 20209263 GJQFVAJBAUNGKX-NSHDSACASA-N 266.341 1.381 0 50 CDAA Cc1ccncc1S(=O)(=O)N[C@H](CC(C)C)CN(C)C 331340288 SCJIRVKTMPENMX-CYBMUJFWSA-N 299.440 1.645 0 50 CDAA Cc1cnc(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)cn1 229385099 YNYPKVWLJMQCOV-YPMHNXCESA-N 260.341 1.142 0 50 CDAA Brc1cnn(Cc2nnc(C3CC3)o2)c1 122218572 HZUMHGXHLQSXEN-UHFFFAOYSA-N 269.102 1.954 0 50 CDAA CCc1ccc(CCN2CC[C@](C)(NCC(=O)O)C2)cc1 328606918 TYNBTTVKZUDAIO-KRWDZBQOSA-N 290.407 1.930 0 50 CDAA C[C@@H](C(=O)Nc1ccnn1C(C)(C)C)n1cncn1 171929166 CPRRMWSIIFJFQB-VIFPVBQESA-N 262.317 1.429 0 50 CDAA CC(C)c1nc(CNC(=O)CN2CCC[C@@H](O)C2)cs1 218857799 MHAUGMHVXBVTRH-GFCCVEGCSA-N 297.424 1.339 0 50 CDAA Cc1cscc1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328640142 XFARYSXFOKCGEF-GFCCVEGCSA-N 290.392 1.909 0 50 CDAA CC[C@@H](C)n1[nH]c(=NC(=O)c2cn(C)cn2)cc1C 330692083 RIMZLSZSIFHGEI-SECBINFHSA-N 261.329 1.570 0 50 CDAA C[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@H](C)N1 154123363 UNJDCYFWAJLGHH-RYUDHWBXSA-N 285.351 1.090 0 50 CDAA COCCC[C@@H]1CCCN(C(=O)c2ccc(N)nc2)C1 77424654 MIMNDHADEKWADV-LBPRGKRZSA-N 277.368 1.943 0 50 CDAA Cc1c(CN2CCC(N3CCSCC3)CC2)cnn1C 215421982 AZMMNBNIWQMWDQ-UHFFFAOYSA-N 294.468 1.742 0 50 CDAA O=C1CCC[C@H](C(=O)N[C@H]2CCCc3cc(F)ccc32)N1 333093222 OQEIZHCACZTWTG-UONOGXRCSA-N 290.338 1.988 0 50 CDAA OC[C@@]1(F)CCCN(c2nc(O)c3ccccc3n2)C1 367735152 WZDIFMPJJMYLQG-CQSZACIVSA-N 277.299 1.636 0 50 CDAA CO[C@@H]1CCN(C(=O)N=c2ccc(C3CC3)n[nH]2)C[C@H]1C 333488024 IKKPPWJHOGLIOX-ZWNOBZJWSA-N 290.367 1.665 0 50 CDAA CC[C@H](CNC(=O)C(=O)N1CCc2ccccc2C1)OC 71775863 HSTXUVOYRHSAHX-CQSZACIVSA-N 290.363 1.113 0 50 CDAA O=C(NC1CCCC1)[C@H]1CCc2nnc(C3CC3)n2C1 368339096 HUAQVWDMXRALNR-NSHDSACASA-N 274.368 1.777 0 50 CDAA CC(C)C[C@H](O)C(=O)N(C)Cc1nncn1C(C)C 77459655 XUCSGHCRGDAOPU-NSHDSACASA-N 268.361 1.224 0 50 CDAA C[C@H]1C[C@@H](C)CN(C[C@@H](C)NCc2cncn2C)C1 237518737 SNTWXYCBXSGDAJ-HZSPNIEDSA-N 264.417 1.876 0 50 CDAA C=CC(=O)NCc1ccc(C(=O)NOC2CCC2)cc1 490734411 QXTRKRXNWPRGTP-UHFFFAOYSA-N 274.320 1.703 0 50 CDAA Cc1cc(C2CCC2)nc(N2CCC(=O)NC[C@H]2C)n1 71757322 ASBWJWLHOHNFEG-LLVKDONJSA-N 274.368 1.767 0 50 CDAA O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC2(CCCO2)CC1 71614637 RWTBYAUFQPAZOM-UHFFFAOYSA-N 296.754 1.814 0 50 CDAA O=c1c2cnccc2ncn1Cc1ccc2c(c1)OCO2 32597907 SXQISAMWUDCPLW-UHFFFAOYSA-N 281.271 1.569 0 50 CDAA O=C(O)CN(C(=O)C[C@H](O)c1cccc(F)c1)C1CC1 237994276 KSDKYBYTQXECDK-LBPRGKRZSA-N 281.283 1.325 0 50 CDAA NCc1ccc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1 237956654 CPRICVBYTGARJS-GJZGRUSLSA-N 290.363 1.165 0 50 CDAA N[C@H](C(=O)N1CCC[C@H](Cn2cncn2)C1)c1ccccc1 238002755 NZYSDAGOSMHLJO-ZFWWWQNUSA-N 299.378 1.217 0 50 CDAA Cc1ccccc1-n1cc(CN2CC[C@@H](N)C2)cn1 216088658 JBVLHEHZDVQRRI-CQSZACIVSA-N 256.353 1.714 0 50 CDAA CNC(=O)[C@H]1CCCC[C@H]1NCc1nc(C(C)(C)C)no1 131060173 LWHMYPTYHWDGTQ-WDEREUQCSA-N 294.399 1.762 0 50 CDAA COc1cnc(C(=O)NC[C@@H]2Cc3ccccc3O2)nc1 338854988 OTCPEAVNHWZMJH-NSHDSACASA-N 285.303 1.219 0 50 CDAA CCc1ncc(CNC(=O)[C@@H]2COc3ccccc3O2)o1 456523766 SRSDIBVRGSOEKY-ZDUSSCGKSA-N 288.303 1.693 0 50 CDAA Cc1ccc2c(C)cc(N3CCC[C@](O)(C(N)=O)C3)nc2c1 284523998 FPYMRNZFXNYOAP-QGZVFWFLSA-N 299.374 1.668 0 50 CDAA CCOC1(C(=O)N[C@@H](C)c2ncon2)CCCC1 285896776 URLLGWGEJUUGNY-VIFPVBQESA-N 253.302 1.596 0 50 CDAA O=C(Cc1n[nH]c2ccccc12)N1CC[C@H](OC(F)F)C1 606443091 ZLCCLCAXIKHLJA-VIFPVBQESA-N 295.289 1.946 0 50 CDAA COCC(=O)N1CCCN(Cc2cccs2)CC1 41363514 DITBRDNOMCUJNA-UHFFFAOYSA-N 268.382 1.429 0 50 CDAA CCc1noc([C@H](C)NC(=O)CCn2ccnc2C)n1 222700830 DBMMZSDLJUVLBX-VIFPVBQESA-N 277.328 1.404 0 50 CDAA Cc1cc2ccccc2n1CC(=O)Nc1cn(C)nn1 48267912 BALCQKHKAPGJHC-UHFFFAOYSA-N 269.308 1.717 0 50 CDAA CN(C(=O)Cn1cccn1)C1CCC(F)(F)CC1 288067199 DYDZIBXKXQGXCN-UHFFFAOYSA-N 257.284 1.919 0 50 CDAA C[C@@H](Cn1cccn1)C(=O)NCCCOc1cccnc1 426370220 BSKRSGBOKCYYAQ-ZDUSSCGKSA-N 288.351 1.500 0 50 CDAA CC[C@H](NC(=O)c1c[nH]c(=O)c(Cl)c1)c1nc(C)no1 220367240 AMIQKAPZXBQIMB-VIFPVBQESA-N 296.714 1.601 0 50 CDAA CC1(C)CN(CCN2CCNC2=O)Cc2ccccc2O1 289153178 ZRBASGOXHVVKFZ-UHFFFAOYSA-N 289.379 1.685 0 50 CDAA CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2)CC1 41115364 UKHRIHCAJJGGAM-UHFFFAOYSA-N 291.351 1.775 0 50 CDAA Cc1cc(CNC(=O)c2cn[nH]c2)cc(N2CCCC2)n1 290511602 JPUHJZCRSLSQRV-UHFFFAOYSA-N 285.351 1.643 0 50 CDAA Ic1cnc(C2OCCO2)s1 225838512 NDKRPHVTJYBWMZ-UHFFFAOYSA-N 283.090 1.793 0 50 CDAA in-vitro CCc1nnc(CN(C)C(=O)c2c(Cl)c(C)nn2C)o1 426689995 XAVQCHWKBQVBMG-UHFFFAOYSA-N 297.746 1.600 0 50 CDAA O=C(NCCc1cnc[nH]1)c1c[nH]nc1-c1cccs1 426575104 XSBSFINHVPAOTQ-UHFFFAOYSA-N 287.348 1.834 0 50 CDAA O=C(Nc1cnn(Cc2ccccn2)c1)[C@@H]1CCCNC1 178750189 WKCYQUUFGYQDPH-GFCCVEGCSA-N 285.351 1.265 0 50 CDAA O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H](O)C1CCC1 333268268 CAIXJMFFYSUKRN-KBPBESRZSA-N 266.385 1.281 0 50 CDAA C[C@H](C(=O)NCCCOC1CCCC1)N1CCN(C)CC1 338079169 LTYLNIHWKYIGRI-CQSZACIVSA-N 297.443 1.088 0 50 CDAA Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1C 96839838 MLELGFHIAQNRGD-UHFFFAOYSA-N 298.390 1.709 0 50 CDAA CCc1c(C(=O)NCc2nc(O)n[nH]2)[nH]c2ccccc12 426674419 YBEKLQMJVQLNBR-UHFFFAOYSA-N 285.307 1.484 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H](C)n1ccnc1C 426488252 MWMDEIRHHUDJBV-GFCCVEGCSA-N 289.383 1.841 0 50 CDAA CNc1nc(C)cc(-c2ccc(S(C)(=O)=O)cc2)n1 97506133 GHHRDCZIDXYQGG-UHFFFAOYSA-N 277.349 1.897 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 238174163 ZVYHNMUYPVMRBE-PSASIEDQSA-N 269.247 1.659 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCN(c2ccccc2)C(=O)C1 335437355 XSLQOWLVGFVGEF-UHFFFAOYSA-N 283.331 1.812 0 50 CDAA CC(C)c1cc(-c2nc([C@H]3CCOC3)n[nH]2)nc(N)n1 97323983 DAQGYBJMCYTLAD-QMMMGPOBSA-N 274.328 1.471 0 50 CDAA Cc1nccn1CCN1C(=O)COc2ccc(F)cc21 95504146 CSXBTWZSSDTVII-UHFFFAOYSA-N 275.283 1.756 0 50 CDAA CCc1nc(C(C)C)ccc1C(=O)NC[C@]1(O)CCOC1 293414136 HKCZPLFBRYHGGI-MRXNPFEDSA-N 292.379 1.649 0 50 CDAA CN(C)C[C@H](O)CNC(=O)c1sccc1Cl 534577605 FELBRELUWOOATP-SSDOTTSWSA-N 262.762 1.054 0 50 CDAA C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC(=O)N2)CC(C)(C)C1 619138289 DVYKHCYXLRYASG-WOPDTQHZSA-N 266.385 1.844 0 50 CDAA CCc1cnc(NC[C@@H]2CC(=O)N(C3CC3)C2)nc1 95380654 PQHZXZOPYYJMFX-NSHDSACASA-N 260.341 1.462 0 50 CDAA c1nc([C@@H]2COCCO2)n(CC2CCCCC2)n1 96138644 QEHNIQVJWSNXDO-LBPRGKRZSA-N 251.330 1.946 0 50 CDAA CO[C@@H]1CCN(CC(=O)Nc2cccc(F)c2C)C1 244708343 KRYOZXCBXUADDX-LLVKDONJSA-N 266.316 1.793 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 246843574 LJOVSGKKVLCRBU-QTVXIADOSA-N 262.397 1.975 0 50 CDAA CCN1CC[C@H](N(C)C(=O)[C@@H](C)CNC)[C@H](C)C1 299738737 FSKGAAAPBIAASQ-XQQFMLRXSA-N 255.406 1.031 0 50 CDAA CCC[C@@H](CNC(=O)c1n[nH]c(C)c1Cl)N(C)C 534590789 XMZVMAROZRJUBA-VIFPVBQESA-N 272.780 1.832 0 50 CDAA O=C(N[C@@H]1CCc2ccccc2C1)c1ccc2nnnn2c1 532326487 OPEZBYQOYYTYHM-CQSZACIVSA-N 293.330 1.412 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)NCc1cccc(CO)c1 534635476 CBNRUGABMBXJSS-LBPRGKRZSA-N 278.396 1.962 0 50 CDAA CC[C@@H](NC(=O)c1ccnc(OC)c1)c1ncnn1CC 534663916 BCJXLPHQXQMPSP-LLVKDONJSA-N 289.339 1.583 0 50 CDAA Cc1nonc1N1CCN(Cc2nc(C)c(C)[nH]2)CC1 299764104 SIAIWXHYCFUCPW-UHFFFAOYSA-N 276.344 1.040 0 50 CDAA CN(Cc1cc[nH]n1)c1cc([C@H]2CCOC2)ncn1 299759059 NDNNEGSRVPJJOJ-JTQLQIEISA-N 259.313 1.340 0 50 CDAA CCCCNC(=O)CN(C)Cc1nnc(C)s1 299763823 DXOPMRORNWIUEW-UHFFFAOYSA-N 256.375 1.195 0 50 CDAA CCc1ncc(CN2CCN(C(=O)C3CCC3)CC2)cn1 823556162 YALPSUCDMAPRJJ-UHFFFAOYSA-N 288.395 1.483 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2noc(C)c2CO)cs1 584902281 AMWKXXOCKZXCPD-ZCFIWIBFSA-N 281.337 1.731 0 50 CDAA CC(C)(CN[C@@H]1CCNC(=O)CC1)N1CCCC1 584897078 DZEYVTNXSDSKHU-LBPRGKRZSA-N 253.390 1.119 0 50 CDAA Cc1nccn1CCN(C)C(=O)N[C@H](C(=O)O)C(C)(C)C 670421757 REAGVYHKOORXDM-LLVKDONJSA-N 296.371 1.332 0 50 CDAA CCCCC[C@H](C)NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239165111 NLROVRSIEBLLOY-CKIKVBCHSA-N 283.368 1.950 0 50 CDAA CC(C)c1ccccc1NC(=O)Cn1nnc(N)n1 1336906554 CZHRSFZKHHZPBR-UHFFFAOYSA-N 260.301 1.017 0 50 CDAA COc1cc(F)c(C(=O)N2CCC[C@@H]2C(=O)O)cc1OC 269094611 YTBYSWJWANXRGJ-SNVBAGLBSA-N 297.282 1.532 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCNC2)[C@H](c2ccccc2)CO1 269237444 XKGMPSHIVWERIK-YUELXQCFSA-N 274.364 1.585 0 50 CDAA CCOC[C@H]1CCN(C(=O)NCc2c[nH]nc2C)C1 273232801 RRAVELITQLBMOJ-NSHDSACASA-N 266.345 1.286 0 50 CDAA CC(C)(C(=O)NC12CC3CC(CC(C3)C1)C2)S(C)(=O)=O 169985366 HTECNVWNEZMXOJ-UHFFFAOYSA-N 299.436 1.895 0 50 CDAA CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCOc2ccc(F)cc21 187658422 HGWVVYXKUGCKSB-NWDGAFQWSA-N 292.310 1.386 0 50 CDAA CC(C)n1cc(/C=C/c2cc(C(=O)O)ncn2)nn1 558453670 LARCPPVYQSUHHR-ONEGZZNKSA-N 259.269 1.518 0 50 CDAA Cc1ccc(CN2CC[C@@H](NC(=O)C(C)(C)F)C2=O)cc1 192294069 FRLWNFAOHJAEOT-CYBMUJFWSA-N 292.354 1.960 0 50 CDAA CC[C@H](C(=O)N[C@H]1CNC[C@@H]1OC)c1ccc(OC)cc1 195554050 SCBATRITYQFNPX-KKUMJFAQSA-N 292.379 1.292 0 50 CDAA CSC[C@@H]1CCCN(C(=O)c2cn3c(n2)COCC3)C1 599974366 HUKVGFUORUPKJS-LLVKDONJSA-N 295.408 1.629 0 50 CDAA COc1cccc(-n2cc(CCN3CCOCC3)nn2)c1 656432512 NZSKJSJTBXPDOY-UHFFFAOYSA-N 288.351 1.151 0 50 CDAA NC(=O)[C@H]1CCN(Cc2ccnc(Cl)c2F)C1 585086710 RGYQSXFWTSMXJR-QMMMGPOBSA-N 257.696 1.181 0 50 CDAA CC1=NO[C@@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 585100163 CWJIRKLKCZGBEO-RKDXNWHRSA-N 264.247 1.952 0 50 CDAA O=C(N[C@H]1CC[C@@H]1O)c1noc2c1CCc1ccccc1-2 1615036682 JEQJZFGYZZGCSN-STQMWFEESA-N 284.315 1.693 0 50 CDAA COC(=O)c1cc(C)nc(N2CC=C(c3cccnc3)C2)n1 1615549301 MTBBYCPDFPYNBJ-UHFFFAOYSA-N 296.330 1.870 0 50 CDAA Cc1ccc(CNC(=O)[C@@H]2CCc3ncncc3C2)n1C 1615588503 BRXRFOSSQPZULT-GFCCVEGCSA-N 284.363 1.545 0 50 CDAA Cc1nc(N(C)C[C@@H]2CC(=O)N(C)C2)ccc1Cl 1506396215 QKQUFYIKSZHYII-JTQLQIEISA-N 267.760 1.958 0 50 CDAA C[C@](O)(CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)O 216307399 NSYUASSQRRJMFZ-FYBVGQRMSA-N 297.273 1.307 0 50 CDAA Cn1ncc2c(N)nc(N[C@@H]3COc4ccccc4C3)nc21 1506395208 DJVGJYHYYDURAA-JTQLQIEISA-N 296.334 1.361 0 50 CDAA CCOc1ccccc1OCCCN1CCNCC1 19728657 KOZMEYMGOKZJCW-UHFFFAOYSA-N 264.369 1.759 0 50 CDAA Cc1nn(C)c(C)c1CN(C(=O)NCCC(=O)O)C1CC1 1506412671 ZZSVRSPQVQBIEG-UHFFFAOYSA-N 294.355 1.186 0 50 CDAA Cc1cccc(N2CCC(NCCOCCO)CC2)c1C 1506409431 XFQUVXDXUYRZSR-UHFFFAOYSA-N 292.423 1.871 0 50 CDAA Cc1cc(C)c(-c2nc(C)nn2-c2cnn(C)c2)cn1 1857671535 VBSNSYDQVXNHMP-UHFFFAOYSA-N 268.324 1.988 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 190172 UQNINMUUJYRESG-UHFFFAOYSA-N 269.322 1.559 0 50 CDAA in-vitro Cc1nc(N2CCCC2)nc(N2CC(C(=O)O)C2)c1C 1704341222 YTERYSHTWZDOLR-UHFFFAOYSA-N 276.340 1.214 0 50 CDAA COC(=O)c1ccc(/C=C2/SC(=O)NC2=O)cc1 1231374 VVYFDUGNDSIVAM-RMKNXTFCSA-N 263.274 1.797 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)[C@@H]1C(=O)O 235374025 RIAWKBOUZWNOPG-VWYCJHECSA-N 255.314 1.125 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1cccc2c1OCO2 344854146 LHGHEAUJAFFVAH-QWRGUYRKSA-N 253.273 1.320 0 50 CDAA Cc1nnc([C@@H]2CCCN2C(=O)NC2CCC2)o1 1875256172 GTPRBUUAYWCPCY-JTQLQIEISA-N 250.302 1.777 0 50 CDAA Cc1nccc(C2CCN(CC[C@@H]3COCCO3)CC2)n1 1775978970 RJEFSHOXMRWVRE-OAHLLOKOSA-N 291.395 1.770 0 50 CDAA CC[C@]12C[C@H]1CN(C(=O)CCn1ccccc1=O)C2 1772814314 SIQUHQPWMHWFRI-SWLSCSKDSA-N 260.337 1.497 0 50 CDAA COc1cc(CNC(=O)c2cn[nH]c2)cc(OC)c1OC 19791332 PNDZPFPDUSYHRQ-UHFFFAOYSA-N 291.307 1.366 0 50 CDAA Cc1cc([C@@H]2NC(=O)[C@@H](CCF)NC2=O)ccc1F 1857529196 DPAMBDCTPARTQO-MNOVXSKESA-N 268.263 1.149 0 50 CDAA CN(C[C@H]1COc2ccccc2O1)c1ncc2cn[nH]c2n1 1857676541 PNONAQHIBWBGEA-NSHDSACASA-N 297.318 1.629 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2)C[C@H]1N 1857718372 GVIGKAMRGKMPIC-IACUBPJLSA-N 278.352 1.151 0 50 CDAA C[C@@H]1C[C@H](NC(=O)Cc2cccc3c2CCNC3)[C@@H](C)O1 638943360 JEAPTNOYAQIHTG-HSMVNMDESA-N 288.391 1.557 0 50 CDAA CO[C@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCN(C(C)=O)C2)C1 331841709 GREYZFNZSAWJOC-MELADBBJSA-N 297.399 1.064 0 50 CDAA O=C(Nc1cnc(-c2ccccc2)nc1)N1CC[C@@H](CO)C1 265815633 WMJKXVCPDNYUMZ-GFCCVEGCSA-N 298.346 1.990 0 50 CDAA C[C@H](N)[C@H](C)c1nc(CC(=O)Nc2ccc(F)cc2)no1 823015931 MGTKIQJECHUAOE-IUCAKERBSA-N 292.314 1.841 0 50 CDAA COCCCNC(=O)[C@@H](C)Oc1ccccc1C 20418945 AKUZYHAKIMXTJW-GFCCVEGCSA-N 251.326 1.915 0 50 CDAA Cn1ccn(CCCOc2ccc3c(c2)OCO3)c1=O 952881883 HORXQRGSYXEIRJ-UHFFFAOYSA-N 276.292 1.385 0 50 CDAA CC(C)(C)c1nc(NC(=O)c2cnn3cccnc23)n[nH]1 1875320073 FNALGZKSKVGXRS-UHFFFAOYSA-N 285.311 1.397 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@H]1OCCc2sc(F)cc21 1875375466 DZKLXDPYNCBOIG-PGLGOXFNSA-N 298.383 1.735 0 50 CDAA Cc1cn2c(n1)CC[C@H](CN(C)C(=O)/C=C/CN(C)C)C2 1875376558 AZVKRVJTILAABJ-VBROQKIQSA-N 290.411 1.330 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC(C)(C)CCO)nn(C)c21 1875300324 YGAYMBLLGWQLEX-ZJUUUORDSA-N 295.383 1.333 0 50 CDAA Cc1ccnc(N2CCC[C@@H]2c2ccc(N)nn2)n1 886085678 KFXXUIXWEKEZIH-LLVKDONJSA-N 256.313 1.499 0 50 CDAA NC1(c2noc([C@@H]3NCC[C@H]4CCCC[C@H]43)n2)CC1 900017564 MBMNQRCFGNFDNL-GMTAPVOTSA-N 262.357 1.858 0 50 CDAA COCCOC[C@H]1CCN(C(=O)NC(C)(C)C)C1 157347200 GAPVHSNQEUVPDW-NSHDSACASA-N 258.362 1.479 0 50 CDAA CNC[C@@H]1CCCN(S(=O)(=O)CC2CCCC2)C1 262157266 ZKRWQOONGMEMGZ-ZDUSSCGKSA-N 274.430 1.438 0 50 CDAA O=C(O)c1cccc(C(=O)NCCC[C@H]2CCOC2)c1 402173474 XHMGZYGLYVFQOQ-NSHDSACASA-N 277.320 1.931 0 50 CDAA Fc1cc(Cl)ccc1CN1CCN2CCOC[C@H]2C1 328588362 OGCMOXLDPATRHQ-CYBMUJFWSA-N 284.762 1.996 0 50 CDAA C[C@H](N)CC(=O)N1CCC[C@@H](OCC(F)(F)F)C1 637932069 LMIIWLRJROTAPM-DTWKUNHWSA-N 268.279 1.294 0 50 CDAA CNC(=O)[C@@H]1CCN(Cc2c(Cl)cncc2Cl)C1 584885591 YFKGIHMKWVFOOM-MRVPVSSYSA-N 288.178 1.956 0 50 CDAA O=C1C[C@@H](c2nc(-c3ccc(F)c(O)c3)no2)CN1 2325807950 MFLBDHMAFHMVGE-SSDOTTSWSA-N 263.228 1.185 0 50 CDAA O=C(NCc1cncc2c1CCC2)c1ncc2[nH]ncc2n1 2325816673 UJNSRBTXMRWFHG-UHFFFAOYSA-N 294.318 1.167 0 50 CDAA O=C(O)C[C@@]1(O)c2ccccc2C(=O)N1Cc1ccccc1 127899 QCTITYWWORHVFL-QGZVFWFLSA-N 297.310 1.962 0 50 CDAA O=C(CCc1ccccc1)NN1C(=O)c2ccccc2C1=O 342582 OOHNUKSXOKYVNI-UHFFFAOYSA-N 294.310 1.947 0 50 CDAA Cc1c(Cl)cccc1NC(=O)C(=O)NC1CC1 2325864 KXQXXMFQZPLTQF-UHFFFAOYSA-N 252.701 1.866 0 50 CDAA CCOc1ccc(CNCCCN2CCOCC2)cc1 2380315 RKOCZCYQGXYZGD-UHFFFAOYSA-N 278.396 1.897 0 50 CDAA COc1ccccc1-n1c(C)nnc1SCC(=O)O 3289479 BIORTDPZPGFJGS-UHFFFAOYSA-N 279.321 1.761 0 50 CDAA CCCCc1ncc(CN2CCC[C@]23CCCNC3=O)[nH]1 2356142579 YLCXUXUWEGQMKC-INIZCTEOSA-N 290.411 1.997 0 50 CDAA CN(C)[C@H]1CC[C@@H](CNC(=O)CCCn2cncn2)CC1 2356154046 GHCPHWAGENBZIA-OKILXGFUSA-N 293.415 1.295 0 50 CDAA CCCN1CCC(N[C@@H]2CCCCNC2=O)CC1 3683634 SIAGKKVXHNAWGE-CYBMUJFWSA-N 253.390 1.119 0 50 CDAA COC(=O)[C@@]12COC[C@@H]1CN(c1nccc3ncccc13)C2 2356158066 BWWGBNNTRDERIX-ZBEGNZNMSA-N 299.330 1.256 0 50 CDAA CCC[C@@]1(CO)CN(Cc2c(C)n[nH]c2C)CC[C@@H]1O 2356167136 IWRRTCMHFSCEPZ-GJZGRUSLSA-N 281.400 1.372 0 50 CDAA CC[C@@]1(C)NC(=O)N(CCCNC(=O)CC2CC2)C1=O 112252568 RHFFNABYRXFPOL-CQSZACIVSA-N 281.356 1.013 0 50 CDAA CCOC(=O)N1CCC(NCCCn2cc(C)cn2)CC1 65431438 BRCIPPCKCYBOOQ-UHFFFAOYSA-N 294.399 1.792 0 50 CDAA Cc1cnc2c(C(=O)N3CCC[C@@]4(CCNC4)C3)cnn2c1 67805564 BZJWIKVBOBUPAU-INIZCTEOSA-N 299.378 1.253 0 50 CDAA CNc1nc(-c2cccc3c2O[C@@H](CN)C3)ncc1F 67539910 DJDKPJTZZAKUAB-SECBINFHSA-N 274.299 1.587 0 50 CDAA CCn1cc(C(=O)NC2CC2)c(=O)c2ccccc21 23119857 LHXLLLOKOMQVKA-UHFFFAOYSA-N 256.305 1.914 0 50 CDAA COc1cccc(OC/C=C/CN2CCN(C)CC2)c1 23116716 CSQBOXQBBUUQFF-ONEGZZNKSA-N 276.380 1.878 0 50 CDAA CC(C)(C)OC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)O 20029254 YGCXTGCCLCADLQ-VIFPVBQESA-N 267.285 1.156 0 50 CDAA COc1ccc(OCCCC(=O)N[C@H]2CCNC2)cc1 125971831 CZGFQWHSFFHMBW-LBPRGKRZSA-N 278.352 1.332 0 50 CDAA C[C@]12CCCC(=O)N1[C@H](CO)[C@H](c1ccccc1)O2 519046 HMPLCFQDHIGQMF-SNPRPXQTSA-N 261.321 1.848 0 50 CDAA biogenic O=C([C@@H]1CCCC(F)(F)C1)N1CCOC[C@@]12CCOC2 253395901 UPUJFMYLEGLEEQ-YPMHNXCESA-N 289.322 1.830 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N[C@H]1CCC(=O)N(C)C1 121733446 HFTTZCQCQWWTIV-NSHDSACASA-N 280.755 1.999 0 50 CDAA CN(Cc1ccccc1)c1cnn(CCCO)c(=O)c1 72147152 JMBSNXOYVYHUBE-UHFFFAOYSA-N 273.336 1.262 0 50 CDAA COCc1nc(CNc2cc(C)nc3cc(C)nn23)no1 72480214 HYNMOGKFTYRYCO-UHFFFAOYSA-N 288.311 1.488 0 50 CDAA C[C@@H](OC[C@@H]1CCCCO1)c1nc(Cn2cccn2)no1 329311713 GHQLMCRNMLWZGS-NEPJUHHUSA-N 292.339 1.961 0 50 CDAA CCn1ccnc1CN(C)C(=O)[C@@H](NC(C)=O)C(C)C 219255390 UYGAPMZOCSSBMX-ZDUSSCGKSA-N 280.372 1.022 0 50 CDAA Cn1cc(C(N)=O)cc1C(=O)N1CCC[C@H]1c1ccncc1 153170029 KCLDPKWXKISGSJ-ZDUSSCGKSA-N 298.346 1.496 0 50 CDAA CCCn1ncc(C(=O)N(C)[C@@H]2CCN(C)C2)c1C 216212604 CBAISEALWXFSIU-GFCCVEGCSA-N 264.373 1.378 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N2CCCC2)C1 363692542 NOMFLDWUMOJKRL-JHJVBQTASA-N 252.358 1.108 0 50 CDAA Cc1ccc(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nc1 366042148 QSRCMKJYURRQPV-SGMGOOAPSA-N 276.336 1.404 0 50 CDAA COc1cnc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)s1 332330295 PQPHKMWLLDLHPZ-BDAKNGLRSA-N 286.353 1.674 0 50 CDAA O=C([C@@H]1CCCN1C1CCOCC1)N1CC(C2CCC2)C1 367666635 VPHFKNZCIIUHKW-INIZCTEOSA-N 292.423 1.888 0 50 CDAA Cc1nnc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)o1 369054506 LKQIZZYEUATNSN-GHMZBOCLSA-N 251.330 1.910 0 50 CDAA O=C(Nc1nncn1C1CC1)[C@@H]1Cc2cccc(F)c2O1 375908277 APTIPCIDMCILLK-NSHDSACASA-N 288.282 1.694 0 50 CDAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cn[nH]c3)C2)n1 215828144 UDBAWTHNNIYKRB-LBPRGKRZSA-N 259.313 1.310 0 50 CDAA C[C@]1(c2nc(-c3cnc(C4CC4)[nH]c3=N)no2)C[C@H]1F 333598819 QBWVBQLAGBQYOW-OQPBUACISA-N 275.287 1.816 0 50 CDAA O=C(c1cncnc1C1CC1)N1CCOC2(CCC2)C1 333626304 GZPGNMXCKRWCOH-UHFFFAOYSA-N 273.336 1.749 0 50 CDAA O=C(Nc1cccnc1)C1(n2cnnn2)CCCCC1 36356891 VFIKYKRJSFIBDK-UHFFFAOYSA-N 272.312 1.366 0 50 CDAA NC(=O)c1cc(NC(=O)[C@@H]2CCCN2c2ccccc2)c[nH]1 373334278 SYCZPPAJSRCLGY-AWEZNQCLSA-N 298.346 1.721 0 50 CDAA CC1=C(C(=O)NCc2cc(F)cc(F)c2)[C@H](C)NC(=O)N1 71279013 BUUGYWWHUVERKG-ZETCQYMHSA-N 295.289 1.556 0 50 CDAA CN(C)[C@@H]1CCN(Cc2cnc(N3CCCC3)s2)C1 215059933 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1.807 0 50 CDAA CNC(=O)Cc1noc(-c2cc(-c3ccccc3)no2)n1 163008335 FTLZMEVMDAZOOY-UHFFFAOYSA-N 284.275 1.680 0 50 CDAA C[C@@H](N[C@@H]1CCOC[C@H]1O)c1cnn(CC2CCC2)c1 903217289 TWLZWOGZJKVTAK-KCPJHIHWSA-N 279.384 1.484 0 50 CDAA CCN(CC)C(=O)[C@@]1(N)CCc2c(OC)cccc21 911916287 TZCMSEJPFOIVEZ-OAHLLOKOSA-N 262.353 1.664 0 50 CDAA CO[C@@H](CNC(=O)CCc1cnn(C)n1)c1ccccc1 822371514 FEBMDDHYBZFBHD-AWEZNQCLSA-N 288.351 1.252 0 50 CDAA Cc1nnccc1NC(=O)NCc1cc(C2CC2)nn1C 930815257 BQZNTEOHVKYXIM-UHFFFAOYSA-N 286.339 1.718 0 50 CDAA CN(C)C/C=C/C(=O)NCc1noc2c1CC(C)(C)CC2 1875376706 GEOIYKUGFNVVQH-AATRIKPKSA-N 291.395 1.924 0 50 CDAA C[C@@]1(C(=O)N[C@@H](c2nn[nH]n2)C2CCCCC2)CC1(F)F 1875324095 HIAMLBIDOKNFIX-SKDRFNHKSA-N 299.325 1.983 0 50 CDAA CCn1cc(C(N)=O)c(=NC(=O)c2ccc(Cl)cc2)[nH]1 1875388357 YESRBQATPRUTFN-UHFFFAOYSA-N 292.726 1.330 0 50 CDAA N[C@@H]1C[C@]2(C(=O)NC3(c4ccccn4)CCC3)C[C@H]12 1875404760 TZMXDYPRFRRHKQ-JTNHKYCSSA-N 257.337 1.314 0 50 CDAA CCc1ncnc(N2CCC[C@H]2c2ccc(N)nn2)c1F 886086202 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O=C1Cc2ccccc2S(=O)(=O)N1Cc1ccccc1 3624500 OZDQCCZKFFTJBX-UHFFFAOYSA-N 287.340 1.960 0 50 CDAA COC1(CN(C)C)CCN(c2cncc3nccn23)CC1 2356168982 RFVWJOHQZWHVGX-UHFFFAOYSA-N 289.383 1.276 0 50 CDAA C[C@H](NC(=O)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)c1nncn1C 246040375 OVIVKPSIUNCUAK-DCHHYWPUSA-N 275.356 1.220 0 50 CDAA COc1ccc(Cc2nc(C)c(CC(=N)O)c(=O)[nH]2)cc1 4978025 CFVPDHHAKAELRZ-UHFFFAOYSA-N 287.319 1.755 0 50 CDAA CCc1nccn1S(=O)(=O)c1ccc(OC)c(C)c1 7425075 APPCQBJWLDEYLP-UHFFFAOYSA-N 280.349 2.000 0 50 CDAA CCOc1ccc(CNCCOCCO)cc1OC 8324697 JGOYGYVQLOPNCI-UHFFFAOYSA-N 269.341 1.192 0 50 CDAA CC(C)c1c(O)nc(SCCC(=O)O)[nH]c1=O 8579335 SMKGDVZLKAQNHT-UHFFFAOYSA-N 258.299 1.166 0 50 CDAA O=C(CCc1cncs1)N[C@@H]1CCCC[C@H]1O 343176265 ZBPDSVPVFPDIDH-GHMZBOCLSA-N 254.355 1.495 0 50 CDAA CCN(C)[C@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2)C1 225556971 FREWPTKSACDEHN-ZDUSSCGKSA-N 278.400 1.804 0 50 CDAA CN[C@@H]1CCCN(C(=O)CCc2nc3cccnc3[nH]2)C1 133815025 ZZHSCSFBHZLQEL-LLVKDONJSA-N 287.367 1.101 0 50 CDAA NC(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 9366098 WKAVXWGXZJOYMS-UHFFFAOYSA-N 296.392 1.787 0 50 CDAA COC(=O)[C@H]1C[C@@H](OC)CN1Cc1noc(C(C)(C)C)n1 116285735 DOYNALZVCKKQHH-NXEZZACHSA-N 297.355 1.129 0 50 CDAA c1cnc(N2CCN(CCCc3ccco3)CC2)nc1 20599799 YXPOPOGNZARSFQ-UHFFFAOYSA-N 272.352 1.824 0 50 CDAA CC(=O)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 420986595 MUKXUXWDCUCYQB-ZDUSSCGKSA-N 286.335 1.447 0 50 CDAA CCOc1cc(NC[C@H]2CN(C3CC3)CCO2)ncn1 136046956 QWUOXDONVDTNRB-LBPRGKRZSA-N 278.356 1.150 0 50 CDAA CCCCS(=O)(=O)N1CCN(Cc2ccco2)CC1 20594868 HRUVHGATPNLNFF-UHFFFAOYSA-N 286.397 1.527 0 50 CDAA CCc1ccccc1O[C@H](C)C(=O)NCCOC 20494120 NCMUHTOAUGOYBA-LLVKDONJSA-N 251.326 1.779 0 50 CDAA CCc1ccc(CN2CCc3nncn3CC2)cc1 20996285 IDTBRQGXHWMTSO-UHFFFAOYSA-N 256.353 1.899 0 50 CDAA C[C@H]1C(=O)N(C)CCN1Cc1cc(C(C)(C)C)on1 351599153 CKSGYARHYWBGRX-JTQLQIEISA-N 265.357 1.635 0 50 CDAA O=C([C@@H]1CCCOC1)N1CCN[C@H](c2cccc(F)c2)C1 253630007 UQFXPRGPMBJTNZ-HIFRSBDPSA-N 292.354 1.725 0 50 CDAA CCCCc1nc(CN2CCN(CCOC)[C@@H](C)C2)no1 229384619 RMESXJBJKXCIMX-ZDUSSCGKSA-N 296.415 1.565 0 50 CDAA COC(=O)C(C)(C)CCN1CCO[C@@H]([C@H]2CCCO2)C1 252584462 AOOUKTDESNNFHA-CHWSQXEVSA-N 285.384 1.456 0 50 CDAA Cc1nnc(-c2cnn(C)c2N)n1Cc1ccccc1 1394873 XYPCMOMATSVHSQ-UHFFFAOYSA-N 268.324 1.618 0 50 CDAA CCc1nc(C)c(CN2CC[C@H](CS(C)(=O)=O)C2)o1 429401365 ZQKAWMLWEZSYIC-NSHDSACASA-N 286.397 1.412 0 50 CDAA Cc1cc(C)n(C[C@H](C)Nc2ncnc3c2c(C)nn3C)n1 72419229 AQURFIJGWFYFFG-JTQLQIEISA-N 299.382 1.986 0 50 CDAA O=S(=O)(NCc1ccccc1)NCc1cccnc1 71768013 VJBUTKLEBCYTIB-UHFFFAOYSA-N 277.349 1.206 0 50 CDAA c1ccn2c(CNC[C@H]3CCc4nccn4C3)cnc2c1 328620852 ADQGTIVHCCDHQN-CYBMUJFWSA-N 281.363 1.883 0 50 CDAA Cc1cc(=NC(=O)N(C)C[C@@H]2CCc3nccn3C2)[nH]o1 328633363 SNVUCXKPBMQKSU-NSHDSACASA-N 289.339 1.328 0 50 CDAA CCC1(CC)N=C(O)N(C[C@@H]2CCCOC2)C1=O 329185825 QIXWXDNWVGOSMZ-JTQLQIEISA-N 254.330 1.728 0 50 CDAA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)c1ncccc1O 253369247 AFROEJYSXOKYSX-MPDMTVCLSA-N 296.392 1.597 0 50 CDAA O=C(CCCc1ccc(Cl)cc1)N1C[C@@H](O)CO1 77353680 ONODKOGMXSCKMN-GFCCVEGCSA-N 269.728 1.797 0 50 CDAA CC(C)Cn1ccnc1NC(=O)CN(C)C1CCC1 521395361 SQMCTNXSWIOOMW-UHFFFAOYSA-N 264.373 1.962 0 50 CDAA Cc1cc2c(N3CC[C@](C)(C(=O)O)C3)nccn2n1 128782841 BAKQSRVSWKTDQR-ZDUSSCGKSA-N 260.297 1.339 0 50 CDAA Cc1cnccc1CN(C)C(=O)Cc1ccccn1 215906079 YPIVJYPTEORRRR-UHFFFAOYSA-N 255.321 1.986 0 50 CDAA CC1(C)C[C@H](NS(=O)(=O)N2CCCCC2)CCO1 156341779 SMLHHNNXUKZHKF-LLVKDONJSA-N 276.402 1.264 0 50 CDAA CSCC[C@@H](O)C(=O)N1CC(Oc2ccc(F)cc2)C1 216410817 OYPJCOAYGXGGOP-CYBMUJFWSA-N 299.367 1.529 0 50 CDAA COc1cc2c(cc1OC)CCN([C@@H](C)C(=O)O)CC2 262170593 CLPMJXAEJORGMR-JTQLQIEISA-N 279.336 1.578 0 50 CDAA CS(=O)(=O)N1CCC(n2ccnc2-c2ccco2)CC1 77439101 FDPVXFTYHBPSDS-UHFFFAOYSA-N 295.364 1.740 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 262289252 OMGUCSMRGKBJGS-RISCZKNCSA-N 272.348 1.442 0 50 CDAA Cc1cc(CC(=O)N2CCC3(CC2)C[C@H]3C(=O)O)no1 262223156 XJIBZRXRQUDOCV-NSHDSACASA-N 278.308 1.239 0 50 CDAA C[C@@H](N[C@H]1CCO[C@@H]1c1ccnn1C)c1ccccn1 492850951 NJRBUKUQTZLZED-ZLDLUXBVSA-N 272.352 1.996 0 50 CDAA CCc1cc(C)c(C(=O)NCc2nccc(N)n2)o1 131484427 KXEXDBSTCFCBDA-UHFFFAOYSA-N 260.297 1.453 0 50 CDAA C[C@H]1OCC[C@H]1NC(=O)c1c[nH]nc1-c1ccccc1 129859006 NBXWRHQVNHWAOY-ZWNOBZJWSA-N 271.320 1.984 0 50 CDAA C[C@@H](NC(=O)N1CCSC(C)(C)C1)[C@@H]1CCOC1 335835072 WAIAVATVZPCEFI-GHMZBOCLSA-N 272.414 1.948 0 50 CDAA CCOC(=O)[C@H](NC(=O)c1c[nH]cc1C)C1CCOCC1 340376877 QUOPAISDXJPSAR-CYBMUJFWSA-N 294.351 1.411 0 50 CDAA O[C@@H]1CN[C@@H](C(O)(c2ccccc2)c2ccccc2)C1 199251626 LQXUSYSMWPQALN-JKSUJKDBSA-N 269.344 1.645 0 50 CDAA CCOc1ncccc1C(=O)N[C@H](C)c1ncnn1CC 223781410 ZPNWMKOHJOJBNC-SNVBAGLBSA-N 289.339 1.583 0 50 CDAA Cc1cc(=O)cc(C(=O)N(C)Cc2noc(C(C)C)n2)o1 221295263 LAHZGPZLFPYMFM-UHFFFAOYSA-N 291.307 1.727 0 50 CDAA CC[C@H](C(=O)NCCn1cnc(C)c1C)n1cccn1 221416436 GLQOORGWBBAPFV-CYBMUJFWSA-N 275.356 1.464 0 50 CDAA CCCC[C@H](Sc1nnc(CN)n1C)C(=O)OC 426599477 DHSWAXVCQADYNG-QMMMGPOBSA-N 272.374 1.098 0 50 CDAA CN(CC1CCOCC1)C(=O)c1cc(C(F)F)[nH]n1 426430567 ARNJFRSELHFOCZ-UHFFFAOYSA-N 273.283 1.846 0 50 CDAA Cc1ccc2nc([C@H](C)NC(=O)N(C)CC(N)=O)[nH]c2c1 426649611 KAEBIBLFTGOPSO-VIFPVBQESA-N 289.339 1.059 0 50 CDAA O=C1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccn2)CCN1 180588019 XOWUCVHSHJFIEJ-SSDOTTSWSA-N 287.241 1.565 0 50 CDAA Cc1cncc(CCC(=O)N2CC3(CCOC3)C2)c1 294632754 ZLPMRGKIANHFNB-UHFFFAOYSA-N 260.337 1.572 0 50 CDAA O=C(N[C@@H]1CCC[C@H](O)C1)c1cc2ccccc2c(O)n1 620228399 FRZWUCRTQXLLNK-NEPJUHHUSA-N 286.331 1.974 0 50 CDAA Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccccn2)on1 295108378 HJKOUIGEVASLHK-LLVKDONJSA-N 274.324 1.837 0 50 CDAA O=C(c1ccn(-c2ccccc2F)n1)N1CCCNCC1 237899243 UKIOYHYVSPUTLX-UHFFFAOYSA-N 288.326 1.447 0 50 CDAA CCc1csc(Cn2cc([C@H]3CCOC3)nn2)n1 91691723 KPGUNPSXNGQTKC-VIFPVBQESA-N 264.354 1.849 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)C[C@H]1CCCN1C 97522555 PVLVAEWMCWSMSI-GFCCVEGCSA-N 288.351 1.666 0 50 CDAA O=C(NCC1(C(=O)O)CC1)c1csc([C@H]2CCCO2)n1 621572230 DNFMVOILUBBSCQ-SECBINFHSA-N 296.348 1.589 0 50 CDAA OCC1(O)CCN(C[C@H]2CCOc3ccccc3C2)CC1 95515141 JDRGLDALXPJYRG-AWEZNQCLSA-N 291.391 1.447 0 50 CDAA Cc1[nH]nc(CN2CCC[C@@]3(CCNC3)C2)c1Cl 97532346 GKJVDHFCFQKPNB-ZDUSSCGKSA-N 268.792 1.947 0 50 CDAA CC(C)c1n[nH]c2c1CN(C(=O)CCN1CCCC1)CC2 243901223 AZZAVEFCTNNZRR-UHFFFAOYSA-N 290.411 1.904 0 50 CDAA Cc1cnc(CNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)cn1 244828581 TYURKBGIHDQRNQ-JGZJWPJOSA-N 286.339 1.008 0 50 CDAA Cc1cccc(CCNc2cc([C@H]3C[C@@H](N)C3)nc(N)n2)n1 244778759 PVYPCUXLQHVLOA-TXEJJXNPSA-N 298.394 1.622 0 50 CDAA Cn1cccc1[C@@H]1CCCN1C(=O)CN1CCCCC1=O 299210390 FSUNKKICVQKHNR-AWEZNQCLSA-N 289.379 1.701 0 50 CDAA CC(C)c1nnc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3)o1 252486863 HPNBIMNPISIKEN-MNOVXSKESA-N 278.356 1.294 0 50 CDAA COCCOc1ccc(-c2cn(C)nc2C(=O)O)cc1 520254198 OEBIMGMUYMTDIB-UHFFFAOYSA-N 276.292 1.811 0 50 CDAA CN[C@@H]1CNC(=O)c2cc(-c3ccc(F)cc3)nn21 263619453 YSMSUDIJISANPF-LBPRGKRZSA-N 260.272 1.151 0 50 CDAA CC(C)CN1CCCN(C(=O)[C@@H]2CCOC2)CC1 368820881 DTRGMZFADGNWBQ-CYBMUJFWSA-N 254.374 1.213 0 50 CDAA CCc1nn(C)c(NC(=O)N[C@H](CO)C(C)C)c1CC 299777530 FEQVEAUOAXETKQ-GFCCVEGCSA-N 282.388 1.683 0 50 CDAA CC(=O)NCCCC(=O)Nc1ccc2c(c1)C[C@@H](C)O2 828059982 NBNSPLNAKHFLSI-SNVBAGLBSA-N 276.336 1.865 0 50 CDAA Cc1ncc(C(=O)N[C@H]2CCc3ccccc3C2)c(O)n1 584888147 NRJPJEPMBJQSTK-ZDUSSCGKSA-N 283.331 1.778 0 50 CDAA Cc1cc(-n2cccn2)ccc1CN(C)CC(=O)O 823709248 QSZOGGZNGFZKFR-UHFFFAOYSA-N 259.309 1.697 0 50 CDAA CC(C)Cn1cncc1Cn1cnc2cnccc2c1=O 584890680 KLNJRDUOLHWRKY-UHFFFAOYSA-N 283.335 1.692 0 50 CDAA C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cn(CC(=O)O)nn1 901805921 NZJFKCLXHZCSGV-GHMZBOCLSA-N 294.355 1.309 0 50 CDAA Cn1ccn2ncc(C(=O)NCc3cnc4c(c3)CCC4)c12 584893699 SGEIJXIPDSHOCE-UHFFFAOYSA-N 295.346 1.487 0 50 CDAA Cc1cccnc1C[C@H](C)n1cnc2nccnc2c1=O 584889606 MQJKSUPJPNGWQC-NSHDSACASA-N 281.319 1.694 0 50 CDAA NC(=O)CCn1cnc(C(=O)Nc2ccccc2)c1 670432356 IZKGUPZXWAFRGS-UHFFFAOYSA-N 258.281 1.011 0 50 CDAA CCCS(=O)(=O)N1CCN(c2ccncc2C)CC1 670446955 RSRFIZLLHBLNRL-UHFFFAOYSA-N 283.397 1.252 0 50 CDAA CCn1cc(CN2CCC3(CCNC(=O)CC3)CC2)cn1 670470423 FZYHYTPAHAMTDW-UHFFFAOYSA-N 290.411 1.785 0 50 CDAA O=C1C[C@H](C(=O)N2C[C@H]3CC[C@H]2C3)CN1c1nccs1 685939562 DJRLKPYVUCYMFY-DCAQKATOSA-N 291.376 1.507 0 50 CDAA C[C@@H](NC(=O)CS(=O)(=O)C(F)F)c1cccs1 1421448783 NHULZBLDGDRYOR-ZCFIWIBFSA-N 283.321 1.563 0 50 CDAA COCc1nc(C(=O)N2CCC[C@@H](C(=O)O)C2)cs1 133072734 LEFRMDDZCDXINA-MRVPVSSYSA-N 284.337 1.226 0 50 CDAA CCCCOc1ccccc1[C@@H]1NC(=O)[C@H]2COCCN21 163406318 QLJZNYYUFSQONX-UKRRQHHQSA-N 290.363 1.695 0 50 CDAA CCOc1cc2c(cc1CN1CC[C@H](N)[C@@H](O)C1)CCC2 1565512875 JJHSVPVOPKKBAO-HOTGVXAUSA-N 290.407 1.468 0 50 CDAA CO[C@H]1COCC[C@@H]1NC1CCC2(CCNCC2)CC1 1565516193 BHTHSAHOHLYWEQ-GJZGRUSLSA-N 282.428 1.692 0 50 CDAA O=S(=O)(c1cccs1)N1CC[C@@H](c2cnccn2)C1 1464674392 QGHULULIKVLIMJ-SNVBAGLBSA-N 295.389 1.716 0 50 CDAA C[C@H](C(=O)O)N1CCC(CNC(=O)c2ccsc2)CC1 952971042 QNXOUSCQHCGIKO-SNVBAGLBSA-N 296.392 1.663 0 50 CDAA COc1ccnc(N2CCSC3(CCOCC3)C2)n1 274421743 CESHOAXLVFOOAV-UHFFFAOYSA-N 281.381 1.588 0 50 CDAA C[C@H]1CCN(c2ncccc2Cl)CCS1(=O)=O 277167556 MJLZWHRTCWUBSZ-VIFPVBQESA-N 274.773 1.748 0 50 CDAA O=C(N[C@@H]1COc2cc(F)cc(F)c21)N1CCC[C@@H](O)C1 170075997 JRXKALFKLHSMBA-MWLCHTKSSA-N 298.289 1.565 0 50 CDAA O=C(NCC1(O)CCCCCC1)c1nccn2ccnc12 170012404 LOZONDWYAPBFEF-UHFFFAOYSA-N 288.351 1.544 0 50 CDAA CN(C)CCN(C(=O)c1coc(C(N)=O)c1)C1CCCC1 170595131 WTFJQYPWFUZKHE-UHFFFAOYSA-N 293.367 1.325 0 50 CDAA CCOC(=O)C[C@@H](C)Sc1cnn(C)c(=O)c1Cl 170627342 QWGJHIYGKFEXTJ-SSDOTTSWSA-N 290.772 1.868 0 50 CDAA Cc1ccnc(C(=O)N2CCc3ccccc3[C@@H]2CN)n1 638372792 GBNCSKDOWLGTQP-AWEZNQCLSA-N 282.347 1.483 0 50 CDAA O=C(c1cccnn1)N1CCNC[C@@H]1c1ccccc1 638344652 UVYVQZFBZXXGOA-CQSZACIVSA-N 268.320 1.263 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1N=c1cc[nH]c(-c2nccs2)n1 641662702 IVWCIZHDVAWDPJ-GHMZBOCLSA-N 289.408 1.917 0 50 CDAA CC(C)c1nnc(CNC(=O)[C@H]2CCCO[C@H]2C)n1C 190057508 RPVYJSXKSLITPB-QWRGUYRKSA-N 280.372 1.370 0 50 CDAA Cc1c[nH]cc1C(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644228067 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CN1CC[C@H]2CC[C@@H](C1)N2c1cccc(C(=O)N(C)C)n1 1506405253 YJGNOHHWMHYDIK-OLZOCXBDSA-N 288.395 1.456 0 50 CDAA CCc1nccn1C[C@@H](C)NCc1cnc(C)cn1 1506405478 DUXDXPTYQLDSPT-GFCCVEGCSA-N 259.357 1.722 0 50 CDAA CC(C)c1ccc(N2C[C@H](O)[C@@H](N3CCCC3)C2)nn1 1506429147 VPYSBHLWDOUAAO-KBPBESRZSA-N 276.384 1.245 0 50 CDAA CCOC1CCN(C(=O)[C@H]2CCC[C@H](C(=O)O)C2)CC1 111472934 XSEPGYBABKQHDB-RYUDHWBXSA-N 283.368 1.905 0 50 CDAA CC(C)c1noc([C@H](C)Nc2cc3nncn3c(N)n2)n1 1529178200 KKZDGRDWBMEFQG-ZETCQYMHSA-N 288.315 1.386 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc(Cl)c1 225644921 MUCYWRUWPNJXHN-WISYIIOYSA-N 293.706 1.933 0 50 CDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cn[nH]c3)C1)CC2 1704344675 VORIPRDDPYUURT-INIZCTEOSA-N 297.362 1.628 0 50 CDAA Cc1ccccc1[C@H]1CN(CCn2ccnc2)C[C@@H]1C(=O)O 216895174 IFVJDMRLAIFZNL-CVEARBPZSA-N 299.374 1.992 0 50 CDAA CCOC(=O)c1c(N)sc2c1CCN(CC)C2 3195827 HLWOSVMLHPRGML-UHFFFAOYSA-N 254.355 1.885 0 50 CDAA in-vitro CC(C)[C@@H](c1nc(C2CC2)no1)N1CCCS1(=O)=O 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COc1ccccc1C(C)(C)NC(=O)[C@H]1COCCO1 264136475 POJGVTKWUTWAFU-CYBMUJFWSA-N 279.336 1.462 0 50 CDAA COc1ccccc1N1CC[C@@H](NC(=O)C(F)(F)F)C1 163698343 WAQVZHSWGHZABV-SECBINFHSA-N 288.269 1.952 0 50 CDAA CN1CCCC[C@H](c2nc(-c3ccsn3)no2)C1=O 924085009 ZKVZMARXXBOORT-MRVPVSSYSA-N 278.337 1.919 0 50 CDAA COC[C@@H]1CCCN(C(=O)c2c[nH]nc2C(F)(F)F)C1 1853270875 PBFHPMDAYWPRGB-MRVPVSSYSA-N 291.273 1.927 0 50 CDAA Cc1c[nH]cc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 864145902 RLTFYEQFBBVECO-GFCCVEGCSA-N 280.324 1.180 0 50 CDAA CN1CCN(S(=O)(=O)c2cccnc2)C[C@H]1C(C)(C)C 874435076 KYDCCKBHOFCUSW-ZDUSSCGKSA-N 297.424 1.432 0 50 CDAA CCc1nc(SC[C@H](C)CN2CCOCC2)n[nH]1 952994911 WKVORMWCTJIZHW-SNVBAGLBSA-N 270.402 1.428 0 50 CDAA Cc1cc(CCC(=O)N[C@H]2C=CC[C@H](C(=O)O)C2)no1 1875272637 BJIVXBXCWSPETM-QWRGUYRKSA-N 278.308 1.451 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1 1875273449 YPOILDFPNTYKGJ-KALODWDDSA-N 291.347 1.305 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1COc2cc(F)ccc2C1 1875272977 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C[C@@H](O)C[C@@H](C)NC(=O)c1cc(-c2ccncc2)[nH]n1 1775997945 PTZVRZQOTCNYSV-NXEZZACHSA-N 274.324 1.361 0 50 CDAA COc1ccccc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20572488 BLRDBQDZQBCKHV-VXGBXAGGSA-N 278.352 1.743 0 50 CDAA CC1(C(=O)N[C@@H]2CCC(=O)NC2=O)CCCCCC1 182273962 NWZBJZOQXHNJST-SNVBAGLBSA-N 266.341 1.268 0 50 CDAA Cc1nnc(CN(C)CCc2cnn(C)c2)s1 299794017 HXDDKZJPWAAHMV-UHFFFAOYSA-N 251.359 1.255 0 50 CDAA CN1CCC[C@@H](N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)C1 685939736 BBDCDEAQVMRBFP-MWDXBVQZSA-N 277.456 1.887 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)[C@@H]1CCC[C@@H](N)C1 397019426 LJNSNOYWBFHLGP-WISYIIOYSA-N 268.357 1.216 0 50 CDAA CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)CC(=O)N2 1430786 CNIUUCRNKIHQBT-SECBINFHSA-N 287.344 1.966 0 50 CDAA c1cc2ccc(CN3CCO[C@H](c4nn[nH]n4)C3)cc2[nH]1 2100547521 JLKHLRWJAJHNEW-ZDUSSCGKSA-N 284.323 1.255 0 50 CDAA C[C@@](O)(CNc1ncccc1C(=O)O)[C@H]1CCCOC1 2325788833 JZWLWMJGFBAMLD-IINYFYTJSA-N 280.324 1.369 0 50 CDAA O=C(NN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(O)cc1 101511551 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O=C(Cn1nnc2ccccc21)N[C@@H]1CCN2CCCC[C@@H]12 229384220 LKUQIDJZJYBHCF-OCCSQVGLSA-N 299.378 1.174 0 50 CDAA O[C@H]1C[C@H](c2cccc(F)c2)N(c2cnccn2)C1 281606455 GHYBGKWBFNPKCV-QWHCGFSZSA-N 259.284 1.928 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1CC[C@H]1N 72168995 BQDVMRFXFPAPGW-BDAKNGLRSA-N 253.371 1.794 0 50 CDAA CCn1ncnc1CN1CCCC[C@@H]1CCn1cccn1 215533548 OVTWGXTWQFRCRR-CQSZACIVSA-N 288.399 1.939 0 50 CDAA O=C(c1cn(Cc2ccccn2)nn1)N1CC[C@@H]2CCC[C@@H]21 330322869 SSLFDJGUZTXNCJ-WFASDCNBSA-N 297.362 1.736 0 50 CDAA O=C(Nc1cccc(OCCF)c1)[C@@H]1CCCN1 151515325 GZDZXIIGVYWQKD-LBPRGKRZSA-N 252.289 1.725 0 50 CDAA NC(=O)COc1cccc(CN2CC(c3ccccn3)C2)c1 72147350 YFGNKNFGWQAGFW-UHFFFAOYSA-N 297.358 1.545 0 50 CDAA Cc1cnn(CCC(=O)N2CCC[C@H]2c2cc[nH]n2)c1 329128129 ZIWKEHUQKANBAR-ZDUSSCGKSA-N 273.340 1.668 0 50 CDAA Cc1cc(CO)oc1C(=O)N1CC[C@](CO)(C(C)C)C1 366519486 NUOCTQBGUOAVGP-HNNXBMFYSA-N 281.352 1.561 0 50 CDAA CNC[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 156666074 NTOFHWUOMLDIEF-SNVBAGLBSA-N 251.305 1.292 0 50 CDAA 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Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(C)c1 169293866 ZVVJKZOQIXYVMF-SYQHCUMBSA-N 287.315 1.896 0 50 CDAA COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccncc1 202872660 OKTJRVKDEASJKX-JTQLQIEISA-N 266.297 1.820 0 50 CDAA O=C1C[C@@H](Cn2ccnc2-c2ccccn2)CN1C1CC1 1857676826 STVWQOFEBSCFGN-LBPRGKRZSA-N 282.347 1.956 0 50 CDAA COc1ccc2c(c1)OCCN(C(=O)[C@H]1C[C@@H]1C(=O)O)C2 450543278 JODOAFNBSRBJPX-RYUDHWBXSA-N 291.303 1.137 0 50 CDAA CN[C@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 133777450 XXXFMVJTADSMAT-ZDUSSCGKSA-N 299.374 1.212 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(F)c1F 353183127 AQDWCJXKYCWYTN-RYUDHWBXSA-N 285.290 1.889 0 50 CDAA CNc1cc(C)nc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1 253479746 SBDLHUFZKYWHBC-MNOVXSKESA-N 276.340 1.374 0 50 CDAA CO[C@@]1(C)C[C@H](NC(=O)C2(C(=O)O)CC2)C1(C)C 154952906 TWZPJEMUSMXAJZ-UFBFGSQYSA-N 255.314 1.171 0 50 CDAA Cn1nccc1C1CCN(C(=O)C[C@H]2CCOC2)CC1 369557572 BBPXAPBGPOFGEY-GFCCVEGCSA-N 277.368 1.553 0 50 CDAA COCC1(CNc2nnc(C)s2)CCNCC1 261565021 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1.502 0 50 CDAA COc1ccc(C)cc1CN1CCCN(C)S1(=O)=O 664064346 HGTBMXWTNVKCFF-UHFFFAOYSA-N 284.381 1.386 0 50 CDAA CN(C[C@H](O)CN1CC(O)=N[C@H]2CCCC[C@@H]21)C1CC1 328683367 WFEJAVKGZRAWCG-IHRRRGAJSA-N 281.400 1.025 0 50 CDAA O=C(O)c1cccc(C(=O)NCC[C@@H]2CCCOC2)c1 426490374 BPNVFCJCKBIGQY-NSHDSACASA-N 277.320 1.931 0 50 CDAA CS(=O)(=O)c1ccc(NC2C[C@H]3C[C@@H]3C2)nc1 333788016 VUCWKLSDRXQBBC-RKDXNWHRSA-N 252.339 1.696 0 50 CDAA COCc1cccc(CN2CC[C@@](F)(CO)C2)c1 338590737 XWSKZRFEXAMGTQ-AWEZNQCLSA-N 253.317 1.739 0 50 CDAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCc1nnnn1C 389334411 UPOHCQHFYAYSGZ-IJLUTSLNSA-N 251.378 1.761 0 50 CDAA Cc1nnc(NC[C@@H](C(=O)O)C2CCOCC2)nc1C 863736874 XQQSRPSLLUORHS-LLVKDONJSA-N 280.328 1.028 0 50 CDAA CC(C)c1nsc(CN2CCNC(=O)C[C@H]2C)n1 1262236223 ZIJRHRIZZNUCLD-SECBINFHSA-N 268.386 1.372 0 50 CDAA COc1ccc(F)cc1-c1nc(N2CCOCC2)n[nH]1 2100477156 KPPJWZWUPSEYKP-UHFFFAOYSA-N 278.287 1.456 0 50 CDAA CN(C[C@@H]1COCCO1)C1=NC[C@H](c2ccccc2)N1 2325864198 IOEWLBJMDBFMHC-ZIAGYGMSSA-N 275.352 1.034 0 50 CDAA COC(=O)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 117354529 WFOPTBMQSIGXEZ-VIFPVBQESA-N 273.329 1.922 0 50 CDAA CC[C@H](C)OCC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 125960288 AWTKJGUZBBLYNB-SWLSCSKDSA-N 295.383 1.309 0 50 CDAA COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 263601 ZWRPAGBRJCRZON-GFCCVEGCSA-N 283.349 1.321 0 50 CDAA Cc1nc2ccc(C(=O)O)cc2c2c1C[C@H](CN)O2 517627 XLPIRLQSGFVQRP-SECBINFHSA-N 258.277 1.504 0 50 CDAA biogenic COC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 582710 IEJQRUHPFDGRLH-MRVPVSSYSA-N 291.756 1.668 0 50 CDAA CC[C@@H](C)NC(=O)CN(C1CCCCC1)S(C)(=O)=O 2179538 NNURTVGWUSOOMI-LLVKDONJSA-N 290.429 1.495 0 50 CDAA C[C@H]1CN(C2CC2)CCN1c1ccc(S(C)(=O)=O)cn1 2356140412 HYJVTTCSLUENGP-NSHDSACASA-N 295.408 1.158 0 50 CDAA C=COCCNC(=O)C(=O)Nc1cccc(Cl)c1 2810543 IDPXHGJLVIZJMT-UHFFFAOYSA-N 268.700 1.555 0 50 CDAA CC[C@@H](C(=O)Nc1cnc2ccccn2c1=O)n1cccn1 2356151116 SHFACJZXTHJUAZ-LBPRGKRZSA-N 297.318 1.481 0 50 CDAA CNc1ncc[nH]c1=Nc1cccc(N2CCN(C)C2=O)c1 2356157304 JLOUMARNLYZTPG-UHFFFAOYSA-N 298.350 1.556 0 50 CDAA CC1=C(C(N)=O)[C@@H](c2ccc(C)cc2)NC(=S)N1 4151822 DRALOQBQFIUTMA-LLVKDONJSA-N 261.350 1.273 0 50 CDAA COc1ccc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4392799 YTPYPOXCIVWGBQ-JTQLQIEISA-N 284.333 1.425 0 50 CDAA Cc1ccc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)c1 4634925 IBTIJMQQTIOALU-UHFFFAOYSA-N 289.360 1.944 0 50 CDAA CN(C)CCNC(=O)c1ccc(Br)o1 4906962 VANMKKYSCJQXMR-UHFFFAOYSA-N 261.119 1.334 0 50 CDAA Cc1cccc(NS(=O)(=O)c2csc(C(N)=O)c2)c1 6678638 UMRZBYDZQHQKHP-UHFFFAOYSA-N 296.373 1.956 0 50 CDAA CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 6730756 GPGBRQVFFZMNKI-MFKMUULPSA-N 296.392 1.968 0 50 CDAA O=C(NCc1ccncc1)c1ccc(N2CCOCC2)cc1 7504770 LSMYZWQPASLNQQ-UHFFFAOYSA-N 297.358 1.848 0 50 CDAA N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 50242064 ZPYGTWZGQPKRPU-QMMMGPOBSA-N 278.736 1.201 0 50 CDAA O=C(c1c[nH]c2ccccc12)N1CCN(C(=O)C2CC2)CC1 9482764 KNBGPLNCFLPFOH-UHFFFAOYSA-N 297.358 1.862 0 50 CDAA CCCn1ccnc1CN1C[C@H]2[C@H](CN(C)C)[C@H]2C1 102483063 RCFIDPZDGOGOAN-ZSOGYDGISA-N 262.401 1.533 0 50 CDAA C[C@@H]1CC2(C[C@H]3COC(=O)[C@@H]3[C@H]3C[C@H]31)OCCO2 101141438 IIBSGBKGJQRDBQ-DGORSVRFSA-N 252.310 1.585 0 50 CDAA OC[C@@H]1C[C@H](F)CN1CCc1ccc(F)c(F)c1 346411866 OFPZGKDTUQHTHN-QWRGUYRKSA-N 259.271 1.912 0 50 CDAA O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C(F)F 248736641 OOWNSQVUCRSZPV-NWDGAFQWSA-N 284.306 1.003 0 50 CDAA NC(=O)[C@H]1CC[C@H](CNC(=O)Cc2cccc(F)c2)CC1 421610625 GXWSNCGKBXAIMZ-AULYBMBSSA-N 292.354 1.776 0 50 CDAA COc1ccc2c(c1)CN(C(=O)c1[nH]c(O)nc1C)CC2 518792295 FLSMRVMXTXHNSM-UHFFFAOYSA-N 287.319 1.631 0 50 CDAA Cc1csc2ncc(C(=O)Nc3ccccn3)c(=O)n12 33718663 JGKXUDTXBMHDHF-UHFFFAOYSA-N 286.316 1.712 0 50 CDAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(C)c1ncccn1 330843349 NBJUNODASCFNPE-JTQLQIEISA-N 287.367 1.669 0 50 CDAA O=C(CCc1ccsc1)N=c1ccn([C@@H]2CCNC2)[nH]1 328618335 DPZTVFMUEPNDQU-GFCCVEGCSA-N 290.392 1.472 0 50 CDAA COC(=O)CCCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 281894686 QFRCSYHMLNCSRO-ZIAGYGMSSA-N 281.327 1.887 0 50 CDAA CCOCCO[C@H]1CCN(C(=O)c2c(C)nn(C)c2C)C1 153287965 PZRLYXVCHUOHRS-ZDUSSCGKSA-N 295.383 1.305 0 50 CDAA CC1(C)CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C[C@@]2(CCOC2)O1 362127376 ZATQMTPSZLXLPE-AYMQEEERSA-N 291.391 1.995 0 50 CDAA CN1CCN(c2nc(Br)cs2)CC1 34936281 GHLARJPRKBAWMZ-UHFFFAOYSA-N 262.176 1.657 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCOCc1ccccc1 262611189 LENNHCHACLWFIJ-VXGBXAGGSA-N 263.293 1.040 0 50 CDAA C[C@H](CNC(=O)N(C)CC1CCCC1)N1CCOC[C@H]1C 239653722 BKXGXWXCAYARAW-ZIAGYGMSSA-N 297.443 1.927 0 50 CDAA O=C(Cc1cn2ccccc2n1)NOCc1cccnc1 155865284 AOELMGNKJWOQDK-UHFFFAOYSA-N 282.303 1.520 0 50 CDAA COc1cccc([C@H]2C[C@@H](O)CN2CC(=O)NC2CC2)c1 282411645 YGPMJQVLUPNBRQ-UKRRQHHQSA-N 290.363 1.082 0 50 CDAA COc1cccc2c1OC[C@@H](NC(=O)Cc1ccncc1)C2 181975969 NQQKAKXPKFDGBH-AWEZNQCLSA-N 298.342 1.753 0 50 CDAA Cc1cc(C(=O)Nc2cnn(-c3ncccc3F)c2)on1 371143750 BTOJNPXDSVEAKW-UHFFFAOYSA-N 287.254 1.955 0 50 CDAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cncn1C 241701732 QKTOZYVMRAOSBX-UKRRQHHQSA-N 298.390 1.670 0 50 CDAA CN(C)[C@H]1CCCN(C(=O)Cc2ccccc2O)CC1 72144233 NVGJZWOLHUTJDI-AWEZNQCLSA-N 276.380 1.877 0 50 CDAA Cc1cc(C(=O)N2CCOCC2)cc(C)c1OCC(=O)O 262186716 NAPWNNDIMPWQLX-UHFFFAOYSA-N 293.319 1.239 0 50 CDAA C[C@H]1C[C@H](C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCO1 262920709 KWIOLOBFTBDMLR-ZRUFSTJUSA-N 255.314 1.171 0 50 CDAA CN(CCc1ccccn1)C(=O)NCCc1cnn(C)c1 46994047 GRBNDAZFPGFVAE-UHFFFAOYSA-N 287.367 1.242 0 50 CDAA COCCN1C[C@H](Cc2cc(O)c(F)c(F)c2)CC1=O 220460598 GWYPZVHJUFAVBM-SNVBAGLBSA-N 285.290 1.708 0 50 CDAA COc1cc(C(=O)N[C@@H]2CCOC[C@H]2OC)ccc1F 220236390 XFYPMJGHPGQHRY-DGCLKSJQSA-N 283.299 1.368 0 50 CDAA COCC[C@H]1COCCN1C(=O)[C@H](C)c1cccnc1 291118413 CUVXXARCVPBEAX-OCCSQVGLSA-N 278.352 1.449 0 50 CDAA CSCC[C@H](NC(=O)Cc1ccc(F)cc1C)C(=O)O 426403444 DCKFJHFLLSRIHK-LBPRGKRZSA-N 299.367 1.999 0 50 CDAA C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O 195216687 DSCHBCQMNYRQCC-SECBINFHSA-N 290.319 1.364 0 50 CDAA CCS[C@H](C)C(=O)N(CC)CCn1cccn1 223493879 XOCBITJDUHUJED-LLVKDONJSA-N 255.387 1.873 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)CCCc2ccccn2)C1 178266898 YQIXGSFZEBNLAS-NSHDSACASA-N 262.309 1.337 0 50 CDAA O=C1CC[C@H](C(=O)N2CC[C@H]3CCCC[C@H]32)CN1 228140393 ZAFBIBKUHHUFNS-GRYCIOLGSA-N 250.342 1.304 0 50 CDAA CCC[C@@H](CC(=O)O)NC(=O)c1cc(C)ncc1O 426596501 MZGNZHHPJBPQPX-VIFPVBQESA-N 266.297 1.469 0 50 CDAA CCC(=O)N1CC[C@H](NC(=O)CO[C@@H]2CCC[C@@H](C)C2)C1 229887894 YYZXGPVADYVMIW-HZSPNIEDSA-N 296.411 1.709 0 50 CDAA Cc1c(C(=O)N2CCCC[C@H]2C(=O)O)ccn1C 426581317 RXBGEGILRKQQGF-NSHDSACASA-N 250.298 1.413 0 50 CDAA OCCn1cnc2cc(-c3nc([C@@H]4CCOC4)n[nH]3)ccc21 97805770 OOAWHBXKELGWND-LLVKDONJSA-N 299.334 1.318 0 50 CDAA O=C(Cn1ccccc1=O)NCCCc1ccco1 97243647 ZUBDKJOKUMYGLF-UHFFFAOYSA-N 260.293 1.190 0 50 CDAA Cc1cccc(C)c1OC[C@H](C)NC(=O)N(C)CC(N)=O 426552115 UDELPBUFEWMHSM-LBPRGKRZSA-N 293.367 1.197 0 50 CDAA CCN1CCC[C@H]1CNc1cc(COC)ncn1 92107251 LAUUUSWGLOZODC-LBPRGKRZSA-N 250.346 1.519 0 50 CDAA CN(CCc1cnn(C)c1)C(=O)CCCN1CCCCC1 95379643 NVWOBUKOSTTXLL-UHFFFAOYSA-N 292.427 1.687 0 50 CDAA N[C@@H](CNC(=O)C[C@H]1OCCc2ccccc21)C1CC1 237990159 LQASAPZSTLWGKN-LSDHHAIUSA-N 274.364 1.544 0 50 CDAA CN(C)c1ccc(C[C@H](CO)Nc2ccncn2)cc1 92001404 GNCCXQDUJNUJJE-CYBMUJFWSA-N 272.352 1.558 0 50 CDAA COCc1nc(-c2ccc(NC3=CC(=O)NC3)cc2)n[nH]1 524734648 XZJMJBHEVMWUKL-UHFFFAOYSA-N 285.307 1.044 0 50 CDAA Cc1nc([C@H](C)NC(=O)Cn2ccccc2=O)cs1 340998086 SCSLVBJRIWDZKE-VIFPVBQESA-N 277.349 1.491 0 50 CDAA Cc1ccc(F)cc1S(=O)(=O)N[C@H]1CN(C)C[C@H]1C 257366050 HNXHOIFUTIJZKW-PWSUYJOCSA-N 286.372 1.363 0 50 CDAA CC(C)(NC(=O)CCc1ccc2c(c1)OCCO2)C(=O)O 299746741 ZMHFMTXUPODHKJ-UHFFFAOYSA-N 293.319 1.370 0 50 CDAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)C1CCCC1 534589086 WAHPNPKRELNDJG-KBPBESRZSA-N 266.385 1.546 0 50 CDAA CC(C)N(C)CCNC(=O)NC[C@H](O)c1cccc(O)c1 534646492 JLYUBAFUZLNLBH-AWEZNQCLSA-N 295.383 1.065 0 50 CDAA CCOC(=O)N1CCC(N[C@H](C)c2ncc(C)[nH]2)CC1 534660549 NANFFKKUINTOLG-LLVKDONJSA-N 280.372 1.990 0 50 CDAA CC(C)C[C@H](C(=O)NCc1ncn(C)n1)n1cccc1 263587389 GHQOCTMJNCACHZ-GFCCVEGCSA-N 275.356 1.520 0 50 CDAA CC[C@@H](NC(=O)CN(C)C(C)C)c1ncnn1CC 534646504 QURMQEVZMKJFBN-LLVKDONJSA-N 267.377 1.206 0 50 CDAA CC[C@H](C)NC(=O)CN1CC(Oc2ccccc2F)C1 299798749 TXRZIBKMFXYVJQ-NSHDSACASA-N 280.343 1.803 0 50 CDAA CCC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1O 1940197504 VNZNWHCUIXTTQL-YNEHKIRRSA-N 282.384 1.055 0 50 CDAA Cc1nn(CCNC(=O)CCCc2cn[nH]c2)c(C)c1C 299797317 NHYZAMBPHBAOEW-UHFFFAOYSA-N 289.383 1.671 0 50 CDAA COc1cccc(C)c1C(=O)NCCN1CCOCC1 824795724 WASLTVRRIZLADL-UHFFFAOYSA-N 278.352 1.066 0 50 CDAA COC(C)(C)C[C@@H](C)N1CCC(CO)(CN(C)C)CC1 824250089 PQJYJXCHXTYRQS-CQSZACIVSA-N 286.460 1.826 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)N2CCC(F)CC2)CC1=O 826535558 PQVPQQKFYXYNHU-SNVBAGLBSA-N 270.348 1.594 0 50 CDAA CC[C@@H](C)Cc1nc(-c2cnc(N)nc2C)n(CCO)n1 828778240 ARSKYMBOAWKVAE-SECBINFHSA-N 290.371 1.207 0 50 CDAA CCc1ocnc1C(=O)NCCc1nc(C2CC2)no1 584897626 XJIAWYFKHQWAEM-UHFFFAOYSA-N 276.296 1.470 0 50 CDAA CN1CCC[C@@H]1CNC(=O)CN1CCCCCCC1 584896044 BVSBFICSFPGGOV-CQSZACIVSA-N 267.417 1.463 0 50 CDAA Cc1ncccc1CN1C[C@H](O)[C@@H](OC(C)C)C1 670465586 RNOCISGLOQNQEN-KBPBESRZSA-N 250.342 1.360 0 50 CDAA C=CC(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2 1335324897 XAVFUCJPYZIADE-UHFFFAOYSA-N 274.320 1.737 0 50 CDAA C[C@H](NC(=O)c1cccn1C)c1nc(C(F)(F)F)n[nH]1 1363003286 PCCDOJOTQYRBON-LURJTMIESA-N 287.245 1.653 0 50 CDAA Cc1nnc(CN2CC(c3nc4ccccc4[nH]3)C2)o1 244678550 IFOWDQYOJHUOFM-UHFFFAOYSA-N 269.308 1.854 0 50 CDAA Cc1cccc(F)c1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553456036 OFDWZYBVAJYXJE-NHYWBVRUSA-N 277.343 1.767 0 50 CDAA O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCC(c2nn[nH]n2)CC1 1565526479 FHXCOSCRITZEHH-WCQGTBRESA-N 273.340 1.118 0 50 CDAA CSc1ccc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)o1 1548767014 DUZXKZWZZMKVEW-ZETCQYMHSA-N 279.325 1.144 0 50 CDAA COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 72194464 BEYPAXFAPGHPIE-LBPRGKRZSA-N 279.292 1.197 0 50 CDAA in-vitro CC(C)Cc1nc([C@@H](N)Cc2ccccc2)n(CCO)n1 952988413 DHCUXFDQYYTBGX-AWEZNQCLSA-N 288.395 1.711 0 50 CDAA COc1cc(Cl)cc(C(=O)N2C[C@@H](O)[C@H](F)C2)c1 952975942 KKUFKTFORIDXMQ-GHMZBOCLSA-N 273.691 1.503 0 50 CDAA COC[C@H]1CN(C(=O)NCc2cccc(F)c2)C[C@H](C)O1 187328979 YZSHLARTCCOAHZ-SMDDNHRTSA-N 296.342 1.771 0 50 CDAA Cc1ccoc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1 276272226 DDNKDALWKNLDCR-UONOGXRCSA-N 290.367 1.945 0 50 CDAA COc1cccc2c1OC[C@@H](NCCC1(C)OCCO1)C2 170088937 JWWQBFHTJMAMQI-ZDUSSCGKSA-N 293.363 1.741 0 50 CDAA Cn1nccc1N1CCC[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1 278649851 ZSDMQFQQTOEPKH-AVGNSLFASA-N 288.395 1.551 0 50 CDAA CC(C)[C@]1(C)C[C@@H]1C(=O)NS(=O)(=O)CC(F)(F)F 408481764 RXGWHSHZAWVDPM-APPZFPTMSA-N 287.303 1.677 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N(CC(N)=O)Cc1ccccc1 191635338 YPAOEHLEZMBAMJ-TZMCWYRMSA-N 290.363 1.316 0 50 CDAA CCOC[C@@H](O)Cn1cnc2c(NC(C)C)ncnc21 193810914 GFXYNPUURUKKFE-JTQLQIEISA-N 279.344 1.044 0 50 CDAA CC(C)c1ccc(C(=O)NC[C@@H](C)C(=O)O)nc1 575815369 LGMHQZXDKCNVAF-SECBINFHSA-N 250.298 1.656 0 50 CDAA CCn1ccnc(NCc2c(C)cc(C)nc2OC)c1=O 678611844 VPGMRLSTFXCERY-UHFFFAOYSA-N 288.351 1.896 0 50 CDAA CN(C)S(=O)(=O)Nc1ccccc1N=S(C)(C)=O 585128922 QZTLOBNTVUHTJR-UHFFFAOYSA-N 291.398 1.264 0 50 CDAA CCn1cc(CNC(=O)[C@@H](CN)C2CCCCCC2)nn1 1615555101 YRUJAIXLIWEINY-AWEZNQCLSA-N 293.415 1.460 0 50 CDAA Cc1nnccc1C(=O)N[C@]1(c2ccccc2)C[C@H](O)C1 1646609950 HDUVVQFZKDQGAF-AKAXFMLLSA-N 283.331 1.565 0 50 CDAA Cc1noc(C)c1CCC(=O)N1CCC[C@H]1C1(O)CC1 1772807288 LWSWLJBXYLHJSF-ZDUSSCGKSA-N 278.352 1.740 0 50 CDAA N[C@H]1C[C@@H](NC(=O)c2coc(C(F)(F)F)n2)C12CCC2 1775962594 UZUJDMMKXQHTJE-JGVFFNPUSA-N 289.257 1.693 0 50 CDAA O=C(c1ccccc1)N1CCN(C(=O)C2CC2)CC1 266657 NOSFICDIDMGBJA-UHFFFAOYSA-N 258.321 1.381 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1c(F)cccc1Cl 219165463 JOHNZGITYNQYKE-NXEZZACHSA-N 273.691 1.359 0 50 CDAA CCc1nc(N2CCN(c3ncnc(C)c3C)CC2)no1 1506413688 SYTVJOCUAOJEJR-UHFFFAOYSA-N 288.355 1.365 0 50 CDAA Cc1nc(N)nc(N2CCC[C@H](CCC(N)=O)C2)c1Cl 1506425616 PTQXLEHZEPWKDB-SECBINFHSA-N 297.790 1.503 0 50 CDAA CN(C(=O)c1cncc(F)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529155731 ZLUHMLZBTCDCAK-IOQCUFBNSA-N 278.327 1.842 0 50 CDAA O=C(c1ccccn1)[C@H]1CCCN(CCc2ncc[nH]2)C1 1529192000 MTPZBCIMBNFWAJ-ZDUSSCGKSA-N 284.363 1.942 0 50 CDAA Cc1nnc(CN(Cc2cnn(C)c2)C(C)C)s1 1529146337 MVHZANQWRLSREN-UHFFFAOYSA-N 265.386 1.991 0 50 CDAA CCCC(=O)N1CCC(N2C[C@H]3C[C@H](O)C[C@H]3C2)CC1 1857688409 HYIITJKMTUDKOX-NHAGDIPZSA-N 280.412 1.480 0 50 CDAA O=C1[C@@H]2CC[C@@H](CN(Cc3cnc[nH]3)C2)N1CC1CCC1 222368221 POZYJDRCUPUERW-HIFRSBDPSA-N 288.395 1.633 0 50 CDAA CCCC[C@H](C)C(=O)N(CCO)Cc1ncc[nH]1 1704307899 LXYBAPIVMRNCPB-NSHDSACASA-N 253.346 1.557 0 50 CDAA CS(=O)(=O)Nc1c2c(nn1-c1ccccc1)CCC2 129968529 LRQIUSFHKNKJIZ-UHFFFAOYSA-N 277.349 1.733 0 50 CDAA Cn1[nH]cc2/c(=N/C(=O)c3ccoc3Cl)ccnc1-2 240333524 FDYMVJGWXMJLSV-UHFFFAOYSA-N 276.683 1.841 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1cc(C)ccc1C 11566157 ABALDFBOIKVLRD-NSHDSACASA-N 257.355 1.353 0 50 CDAA COc1ccc(Cl)cc1C(=O)Nc1nc[nH]n1 5911063 GJAUSCCFOSOKGW-UHFFFAOYSA-N 252.661 1.719 0 50 CDAA CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 12093466 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1.483 0 50 CDAA c1cc(Cc2noc(CCc3cscn3)n2)no1 225595030 PWGGQLLLQWDYDH-UHFFFAOYSA-N 262.294 1.890 0 50 CDAA O=C(OC[C@H]1CCCCO1)c1cncc(-n2ccnn2)c1 225776643 AXVFCDCFPQIGOP-CYBMUJFWSA-N 288.307 1.388 0 50 CDAA O=C(NCC(=O)N1CCCCC1)c1cc2ccccn2c1 114180247 ZTROVAFPIIYESI-UHFFFAOYSA-N 285.347 1.682 0 50 CDAA COC(=O)[C@@H]1C(=O)c2ccccc2CC[C@@H]2COC(=O)[C@@H]21 100694129 IBJPSMRMSTWFON-WXHSDQCUSA-N 288.299 1.394 0 50 CDAA O=C(NC/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 112584393 KWFVJXLNKIAZJA-LVDDQXARSA-N 279.361 1.251 0 50 CDAA CCN(CCn1cccn1)C(=O)c1ccc2c(c1)nnn2C 67856606 YNWQDJWLDFQTCG-UHFFFAOYSA-N 298.350 1.327 0 50 CDAA O=C(O)[C@@H]1C[C@H](n2cc(-c3cc(F)cc(F)c3)nn2)CN1 67649833 RASYTSCXVFGXLB-QWRGUYRKSA-N 294.261 1.211 0 50 CDAA CCOc1cccc(OCCN2CC[C@H](C(=O)NC)C2)c1 65532558 ZBSZKEGQNGBHTA-ZDUSSCGKSA-N 292.379 1.532 0 50 CDAA CCOCCN1CCN([C@H]2CCCOC2)C[C@@H]1CC 252517690 OPPOSKYGJCEKHR-GJZGRUSLSA-N 270.417 1.598 0 50 CDAA CCOC(=O)c1cc(I)c[nH]1 33835503 UPKCWRCTDUDSDG-UHFFFAOYSA-N 265.050 1.796 0 50 CDAA CC(=O)N1CCN([C@@H]2CN(CC3CCCC3)C[C@H]2C)CC1 257366216 ODMOHLZKSATKAX-RHSMWYFYSA-N 293.455 1.661 0 50 CDAA C[C@H]1CN(CCN2CCCC[C@@H]2c2ccnn2C)CCO1 253398428 POSADKDFIMECRH-GOEBONIOSA-N 292.427 1.668 0 50 CDAA CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N2CCCC2)[nH]1 71757269 GHOYVSIYVFMFRB-STQMWFEESA-N 290.411 1.548 0 50 CDAA CCOc1cccc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1 282501551 NFQWMLKRFNPNRW-CYBMUJFWSA-N 297.376 1.344 0 50 CDAA Cc1nc(/C=C/C(=O)N2C[C@H](C)N[C@@H](C)C2)cs1 154177038 BNRYCODFTCGOGV-AWAZDUCLSA-N 265.382 1.674 0 50 CDAA Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H](C)N)c2)n1 154566526 XIVSQGUJHLNIEZ-VIFPVBQESA-N 272.308 1.031 0 50 CDAA CCc1ccc(-c2nccn2CCc2n[nH]c(=O)[nH]2)o1 72147914 JXLVSBLKFUWCQX-UHFFFAOYSA-N 273.296 1.360 0 50 CDAA CC(C)CN(CC(=O)O)C(=O)Cn1ncc2ccccc21 236669839 UQTOZWNVOCZZJI-UHFFFAOYSA-N 289.335 1.606 0 50 CDAA Cc1c(C(=O)N2CCC[C@@H]2C(N)=O)cnn1CCC(C)C 127864131 WYIXWFWHNLLDID-CYBMUJFWSA-N 292.383 1.328 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2COC(=O)C2)cc1 521394471 ORRLZJBSHNWMAA-NSHDSACASA-N 297.376 1.578 0 50 CDAA COc1nc(C)cc(N2CCC[C@@H]([C@H]3CCNC3)C2)n1 333635298 BJBQUAPRDVQRGQ-QWHCGFSZSA-N 276.384 1.620 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCc1ccnn1C 131947655 MGYTVEAJRRUXBF-VIFPVBQESA-N 275.356 1.222 0 50 CDAA CC(C)c1nccc(N2CCC[C@H](c3nc(O)n[nH]3)C2)n1 370750212 OWWUNWLYEKVMJU-JTQLQIEISA-N 288.355 1.808 0 50 CDAA C[C@H]1CC(=O)NCCN1C(=O)C=C(C1CC1)C1CC1 371001565 UMVQAAJZWZXQPL-JTQLQIEISA-N 262.353 1.470 0 50 CDAA Cc1cc(=NC[C@@H]2C[C@H](F)CN2c2cccnn2)cc[nH]1 374544697 SZAGIJMJUMQPFU-JSGCOSHPSA-N 287.342 1.631 0 50 CDAA CCc1ncsc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 334906098 OKHDEAFOLRFCJW-GXSJLCMTSA-N 265.382 1.482 0 50 CDAA O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1[C@H]2CCC[C@H]21 241371395 MNFKSFVYEYYBAC-IAZYJMLFSA-N 292.408 1.607 0 50 CDAA C[C@H](NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)c1cc[nH]n1 496110735 XVLDUYKYNDWHAD-GXSJLCMTSA-N 294.355 1.596 0 50 CDAA C[C@@H](C(=O)N1CC[C@H](CCC(=O)O)C1)n1cccn1 134416376 PISCJGBFWLLFCQ-QWRGUYRKSA-N 265.313 1.157 0 50 CDAA CCc1nccn1CCC(=O)NC[C@]1(C)CCCO1 222489822 PCYLDKCLMGBIBG-AWEZNQCLSA-N 265.357 1.521 0 50 CDAA CC(=O)c1cn(CCC(=O)NCC(=O)O)c2ccccc12 40310225 IYGMFVPNVDSGNO-UHFFFAOYSA-N 288.303 1.435 0 50 CDAA biogenic CC(C)[C@H](NC(=O)c1ccc(C(=O)O)cc1)c1ncon1 263571659 JQZDARHJJGKAEH-NSHDSACASA-N 289.291 1.895 0 50 CDAA CO[C@@H](CNC(=O)[C@H](C)Cc1ccccc1Cl)C(=O)O 263535689 OMWHPGKZSASFQR-SKDRFNHKSA-N 299.754 1.734 0 50 CDAA CCc1nn(C)c2c(=O)n(C[C@H](O)c3ccccc3)cnc12 43073346 KTKZHWCSWQIREP-ZDUSSCGKSA-N 298.346 1.426 0 50 CDAA O=C1CCCN1Cc1ccccc1CN[C@H]1CCOC1 88679428 NGHWIECMDLLNQY-HNNXBMFYSA-N 274.364 1.688 0 50 CDAA Cc1cc(NC(=O)[C@H]2CCCN2)ccc1N1CCCC1=O 40429439 FDNKXQNCYYMNFZ-CYBMUJFWSA-N 287.363 1.812 0 50 CDAA CCOc1ccccc1CCC(=O)N1CC[C@H](CN)C1 178550827 HGGPIHUXMRZLEQ-CYBMUJFWSA-N 276.380 1.825 0 50 CDAA Cc1noc(C)c1-c1cccc(C(=O)N2CC(O)C2)c1 426412391 QDBWMNJIIGPORI-UHFFFAOYSA-N 272.304 1.775 0 50 CDAA Cc1nc(N)ncc1C(=O)N[C@H](c1nccn1C)C(C)C 223512409 JDICHDXXHWIGNG-NSHDSACASA-N 288.355 1.228 0 50 CDAA CCn1c(C)ccc(C(=O)NCc2cccnc2N)c1=O 426534026 HPAABVWQMHKFKI-UHFFFAOYSA-N 286.335 1.084 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)CC[C@H](C)N1CCCC1 426383842 MYCAQMVCISCUFN-NSHDSACASA-N 278.400 1.907 0 50 CDAA CC(C)Oc1cccnc1C(=O)N(C)[C@@H]1CCNC1 179095096 ICUGBTBNLLCMLG-LLVKDONJSA-N 263.341 1.303 0 50 CDAA CCn1nccc1[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 239386731 QEOBQTGKXWURIL-QJPTWQEYSA-N 293.367 1.971 0 50 CDAA O=c1c2ccccc2ncn1Cc1nc([C@@H]2CCOC2)no1 96137578 UXRHZQBFENKVNX-SNVBAGLBSA-N 298.302 1.332 0 50 CDAA CC(=O)N1CCN([C@H](C(=O)O)c2cccc(F)c2F)CC1 95384855 OEDKAJLWBOOAPW-ZDUSSCGKSA-N 298.289 1.255 0 50 CDAA CC[C@]1(CO)CCCN(C(=O)Cn2nccc2C)C1 91585998 VSLVZNPCUJEYNC-AWEZNQCLSA-N 265.357 1.203 0 50 CDAA Cc1ccc2ncccc2c1CN1CCOC[C@@H]1CO 97307796 JWHRRFLSKVGOAW-ZDUSSCGKSA-N 272.348 1.736 0 50 CDAA CCNCc1cc(OC)c(OC)cc1NC(C)=O 96027772 ZWJCATZBSUVMOP-UHFFFAOYSA-N 252.314 1.772 0 50 CDAA COc1cccc(OCC(=O)N2CCC[C@H]([C@@H](C)N)C2)c1 237277419 WOVBCECUMHTCFD-OLZOCXBDSA-N 292.379 1.660 0 50 CDAA 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269.308 1.717 0 50 CDAA COc1cccc(-n2cc([C@H](C)NS(C)(=O)=O)cn2)c1 824792651 PEQDRUNBAQKWGQ-JTQLQIEISA-N 295.364 1.491 0 50 CDAA COc1ncc(CN(C)Cc2nncn2C(C)C)cn1 824851784 GVGYMYBCLXXACP-UHFFFAOYSA-N 276.344 1.290 0 50 CDAA CC(C)n1cc(Cn2cnc3ccncc3c2=O)cn1 584890593 ZKCWWAPBOCEHTB-UHFFFAOYSA-N 269.308 1.617 0 50 CDAA O=S1(=O)C[C@@H](O)c2cc(C(F)(F)F)ccc21 585656352 ZDKNTCGWIWXAPH-SSDOTTSWSA-N 252.213 1.526 0 50 CDAA CCOc1ccnc(N2CC[C@@H](O)CC(C)(C)C2)n1 670462167 APXRMOVNQQNJOQ-LLVKDONJSA-N 265.357 1.863 0 50 CDAA CC[C@H]1CN(C(=O)NCC2CSC2)C[C@H](C)O1 864095396 JMHSXCBKIIZNAX-ONGXEEELSA-N 258.387 1.558 0 50 CDAA OC[C@H]1CCCCN1CCNCc1cccc(O)c1 952971857 GMRNYCABTXYOEJ-CQSZACIVSA-N 264.369 1.329 0 50 CDAA C[C@@H](NC(=O)C1CCC1)c1nc(C(F)(F)F)n[nH]1 1456390684 XCRZLQYIMSTJRL-RXMQYKEDSA-N 262.235 1.801 0 50 CDAA CCN(CCc1nc2ccccc2[nH]1)S(C)(=O)=O 952860059 BEGZSOIIJDDASG-UHFFFAOYSA-N 267.354 1.387 0 50 CDAA CN(C)CC(C)(C)CNC(=O)CCCn1cccc1 888104634 ICQNOERANOGGET-UHFFFAOYSA-N 265.401 1.972 0 50 CDAA CC(C)(C)C[C@@H](N)C1(O)C[C@@H]2CC[C@H](C1)S2(=O)=O 958528583 VOFYEEUVVAWTAM-YIVACMHISA-N 275.414 1.221 0 50 CDAA N[C@@H](C1CCCCCC1)C1(O)C[C@@H]2CC[C@H](C1)N2 958528623 XFMHLFPYNMCAMP-MBOZISHXSA-N 252.402 1.930 0 50 CDAA CCC(=O)NCCN(CCN1CCCCCC1)C(=O)CC 408516799 ZNIIHMFHIQXLIE-UHFFFAOYSA-N 297.443 1.627 0 50 CDAA O[C@@H]1C[C@@H](c2ccccc2)N(Cc2nnc3n2CCCC3)C1 411957472 WZOWKCJIMGHBTO-CABCVRRESA-N 298.390 1.922 0 50 CDAA Cc1nc(NC(=O)c2cccnc2C(F)(F)F)n[nH]1 170607675 LIOOXMWENIWSDA-UHFFFAOYSA-N 271.202 1.779 0 50 CDAA C[C@H](CNC(=O)c1ncc2n1CCCC2)N1CCCC1 630931695 VVAFHKUZFZVGJI-GFCCVEGCSA-N 276.384 1.434 0 50 CDAA Cc1cc(N2C[C@@H](O)[C@H](O)C2)c2ccc(F)c(F)c2n1 277503180 SVPNKSDMQDCBSQ-VXGBXAGGSA-N 280.274 1.363 0 50 CDAA Cc1ccc2[nH]c3c(=O)n(CCN(C)C)ncc3c2c1 634588720 CGMMCFBHMJWVPP-UHFFFAOYSA-N 270.336 1.748 0 50 CDAA O=C(c1ccc(Cl)c(F)c1)N1CC[C@H](CO)[C@H](O)C1 191993128 NWALIVCGWNSEPP-BXKDBHETSA-N 287.718 1.294 0 50 CDAA COc1ccccc1N1CC[C@H](n2ccnc2)C1=O 192628750 XQOUBIYFZMTQHT-LBPRGKRZSA-N 257.293 1.870 0 50 CDAA C[C@H](NC[C@]1(O)CCOC1)c1ccc(Br)o1 193050114 HWZLLKWHWZIIAF-GZMMTYOYSA-N 290.157 1.844 0 50 CDAA COC[C@H]1CCN1C(=O)c1c[nH]cc1-c1cnn(C)c1 565022734 AGZIOXHFMSFKKU-LLVKDONJSA-N 274.324 1.276 0 50 CDAA Cc1cccc(N(C)C(=O)[C@H]2CCc3nnnn3CC2)c1 577736027 ZYFBIERHOOJMQX-LBPRGKRZSA-N 285.351 1.597 0 50 CDAA CCS[C@@H]1CCCCN(C(=O)[C@H]2CNC(=O)N2C)C1 585132367 UZGAVHVVNBRIAA-GHMZBOCLSA-N 285.413 1.144 0 50 CDAA Cc1nc(CN(CCO)Cc2cccs2)n[nH]1 1506426689 UTYBFDPEZCTCQI-UHFFFAOYSA-N 252.343 1.169 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)Cc1ccc(OC)c(F)c1 1615001581 WPHHVWVMALWTKB-DGCLKSJQSA-N 281.327 1.918 0 50 CDAA Cc1cc(CN2[C@H](C)CC[C@@H](C(=O)O)[C@H]2C)nn1C 1616043996 FFAMNNMFARHIAG-IRUJWGPZSA-N 265.357 1.802 0 50 CDAA c1cnc(OC2CCN(CCCn3ccnc3)CC2)nc1 1506427673 OVHIQWAOMHOMAG-UHFFFAOYSA-N 287.367 1.607 0 50 CDAA CC[C@@H](c1cccnc1)N(C)CCS(C)(=O)=O 1506419817 XSKBGDLQKSDMPY-LBPRGKRZSA-N 256.371 1.509 0 50 CDAA COC[C@@H](c1ccccn1)N(C)C(=O)c1nccn1C 1506421076 UIEOPWDOCOTXIE-LBPRGKRZSA-N 274.324 1.275 0 50 CDAA Cc1nc(N)nc(N2CCC[C@@H](O)CC2)c1Cl 1506404473 YGOMNSZEGRIAHV-MRVPVSSYSA-N 256.737 1.372 0 50 CDAA O=C1CO[C@H](C(=O)NCC2CCC2)[C@@H](c2ccccc2)N1 1529144123 MQKVLVWDMDTMCO-CABCVRRESA-N 288.347 1.159 0 50 CDAA O=C1NCCC[C@]12CN(CCCCCF)CC[C@H]2O 1857688422 IMHXCZLABKMAET-TZMCWYRMSA-N 272.364 1.089 0 50 CDAA CCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)N(C)C1=S 461462 UROLHTRTGWUXEE-YFHOEESVSA-N 292.360 1.821 0 50 CDAA C[C@H]1CNCC[C@@H]1NS(=O)(=O)CCCC(F)(F)F 213713342 YEFVIVWDBCDPHF-IUCAKERBSA-N 288.335 1.246 0 50 CDAA C[C@H]1N(C(=O)Nc2ccnnc2)CCOC1(C)C 333066466 AHKVEQDRPSSRSG-SECBINFHSA-N 250.302 1.508 0 50 CDAA Cc1ccc(C(=O)O)cc1NC(=O)c1ccnnc1 128690693 YEKHOCICTPIGAG-UHFFFAOYSA-N 257.249 1.736 0 50 CDAA Cn1nccc1CN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 122895683 WGQOAFFFPSMXRI-QWHCGFSZSA-N 294.399 1.956 0 50 CDAA COc1ccc(CCC(=O)N2CCCN(C)CC2)cc1 6730771 UOFUMNWXAWHQHL-UHFFFAOYSA-N 276.380 1.792 0 50 CDAA CN1CCCN(C(=O)c2cc3ccccc3oc2=O)CC1 13323343 GMMVFZYLLMFKGP-UHFFFAOYSA-N 286.331 1.571 0 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283.349 1.949 0 50 CDAA COC(=O)[C@](C)(CNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 225553408 ALOWKLDTEOHDCN-NORZTCDRSA-N 275.348 1.890 0 50 CDAA Cc1nc(-c2cccc(NC(=O)c3ccc(=O)[nH]n3)c2)n[nH]1 127007969 ZBFGGQDZQBUMKG-UHFFFAOYSA-N 296.290 1.116 0 50 CDAA CNCC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 237207451 LIGSAFKUJKEOGL-MWLCHTKSSA-N 254.355 1.256 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc(O)c1 239308954 HBNYZMLHGBYMEJ-PKCACUDHSA-N 281.311 1.950 0 50 CDAA CCc1cnc(C)nc1N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 247974667 ULCRXGMZHHJEQI-OLZOCXBDSA-N 275.352 1.894 0 50 CDAA Cc1ccc2cc(C(=O)N[C@@H](C)c3nnnn3C)[nH]c2c1 252498907 RPRBTXUYPFAKIR-VIFPVBQESA-N 284.323 1.491 0 50 CDAA CC(C)Oc1ccc(CCNC(=O)[C@@](C)(O)[C@@H](C)O)cc1 585121610 UARDAXAVYNEJRH-WBMJQRKESA-N 295.379 1.264 0 50 CDAA CC(C)CN1CCN(C(=O)c2ccncc2)[C@H](C)C1=O 390835087 CGSFUUGFPUNRTG-GFCCVEGCSA-N 275.352 1.411 0 50 CDAA CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9691048 BIFCUUFYHJNGOS-UHFFFAOYSA-N 282.365 1.502 0 50 CDAA COc1ccccc1-c1cn(CCc2cnn(C)c2)nn1 900545941 HLBNGWFUBWHYES-UHFFFAOYSA-N 283.335 1.930 0 50 CDAA c1ccc2c(c1)CN(Cc1cn(CCn3cncn3)nn1)C2 900537638 SXILYHLCUGORHZ-UHFFFAOYSA-N 295.350 1.086 0 50 CDAA Cn1cc(Br)c(CNC[C@](C)(O)C(F)F)n1 905272928 LPDXMHQAFSASSS-VIFPVBQESA-N 298.131 1.288 0 50 CDAA Cc1nccc(NC(=O)N[C@@H]2CCN(CC(F)F)C2)n1 930836999 KEUAMGKVSRKSAR-SECBINFHSA-N 285.298 1.246 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCOc2ccc(F)cc21 859307894 BJJIUOYTNXBTGQ-GFCCVEGCSA-N 292.310 1.410 0 50 CDAA CC(C)(C)OC(=O)N1CC(n2cc(C(=O)O)ccc2=O)C1 1857779731 DOSPRKPCGJIMJO-UHFFFAOYSA-N 294.307 1.338 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)OCCF 863984677 YOABZOLBNNRAGP-UTLUCORTSA-N 288.319 1.690 0 50 CDAA COC[C@@](C)(CC(=O)O)NC(=O)[C@H]1CC=CCC1 237191306 MPRVIFDSOPKWLF-GXFFZTMASA-N 255.314 1.339 0 50 CDAA CCc1ncc(CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)[nH]1 952884365 ZCGILZQUPPEGOE-LLVKDONJSA-N 292.383 1.093 0 50 CDAA CN=c1ccc(NC(=O)c2c(C(F)(F)F)n[nH]c2C)c[nH]1 1875295905 UUALEMZVNGKIFG-UHFFFAOYSA-N 299.256 1.848 0 50 CDAA NC[C@H]1C[C@@H](NC(=O)[C@@H](N)Cc2cc3ccccc3o2)C1 1875276723 UPJWKXVDZIMHJB-SUHUHFCYSA-N 287.363 1.156 0 50 CDAA O=C1CO[C@@H]2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2N1 1875306402 DOWFBFVQIPDLMZ-LSDHHAIUSA-N 285.347 1.257 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)N[C@@H]1CCc2n[nH]c(C)c2C1 1875304114 AKGCYNIEBSEHPI-SNVBAGLBSA-N 288.355 1.737 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cn1 1875370512 RNUNQMHIRGJPST-SNVBAGLBSA-N 295.770 1.899 0 50 CDAA COCc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3)cc1 237250366 KEDUWYRFDGUOHV-YIONKMFJSA-N 274.364 1.846 0 50 CDAA O=C(c1cscn1)N1CCOc2ccccc2[C@@H]1CO 887109295 INFPSLHNQNBOHZ-LBPRGKRZSA-N 290.344 1.711 0 50 CDAA CC1=NO[C@@H](C(=O)NC[C@H](CC(=O)O)CC(C)C)C1 888098675 NUBSRZKQQIEJBE-WDEREUQCSA-N 270.329 1.404 0 50 CDAA O=C(c1cnc2[nH]c(O)nc2c1)N1CC(Cc2ccoc2)C1 890574522 OICBQUIVACTSOT-UHFFFAOYSA-N 298.302 1.571 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N(C[C@@H](C)C(=O)O)C1CC1 236851929 AQODPSHLNDCDCH-DVVUODLYSA-N 255.314 1.123 0 50 CDAA Cn1ncc(CN[C@@H]2Cc3ccccc3NC2=O)c1C1CC1 895623880 PZMBVFVMDYSNFQ-OAHLLOKOSA-N 296.374 1.951 0 50 CDAA O=C(O)CCN1CCC([C@@H](O)c2ccccc2)CC1 262245149 OQLMYIPVOIJOTE-HNNXBMFYSA-N 263.337 1.907 0 50 CDAA CCN(CC)CCCN1CCO[C@]2(CCOC2)C1 191839476 DPHHBHHCVIAGCC-CQSZACIVSA-N 256.390 1.210 0 50 CDAA Cn1cc(C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cn1 331539720 ANJCYEATOVWZDC-NSHDSACASA-N 291.273 1.340 0 50 CDAA COCC1(CNC(=O)c2c[nH]c(=N)s2)CCCC1 534634846 IKYITQIWDYCGTL-UHFFFAOYSA-N 269.370 1.492 0 50 CDAA Cc1cncc(C(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)c1 379267794 KQSQTUTYKPUDOQ-MNOVXSKESA-N 287.285 1.884 0 50 CDAA CCOC(=O)[C@]1(CC)C[C@@](C)(c2csc(N)n2)OC1=O 345724 XITNPQXGYUKJRD-STQMWFEESA-N 298.364 1.847 0 50 CDAA Cc1nc(O)ccc1C(=O)N1C[C@]23CC[C@]2(COC3)C1 2325766663 PRPJNOSROUFPKU-GASCZTMLSA-N 274.320 1.348 0 50 CDAA O=C([C@@H]1C[C@H]1c1ccsc1)N1CC(c2nc(=O)o[nH]2)C1 2325805772 VWJDWDRHKXVESQ-VHSXEESVSA-N 291.332 1.154 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 951723472 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284.406 1.502 0 50 CDAA COc1ccc(N2C[C@H](c3nnc(N)s3)CC2=O)cc1 4943310 JNDCHLDGKPOSPN-MRVPVSSYSA-N 290.348 1.649 0 50 CDAA CNC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 4957915 GMDJLCHDIZKTKE-XBVVOLJWSA-N 264.369 1.454 0 50 CDAA Cc1cccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 6703840 HUPXIIJMLFOWQK-GFCCVEGCSA-N 296.392 1.605 0 50 CDAA CCCNC(=O)c1cnc2scc(C)n2c1=O 6757359 VRCGVIADOMCNLF-UHFFFAOYSA-N 251.311 1.204 0 50 CDAA NC(=O)C1=NO[C@@H](CNCc2ccccc2Cl)C1 225601378 XYUMUGDNSFKQTP-SECBINFHSA-N 267.716 1.060 0 50 CDAA CCN1CCC(NC(=O)c2cnn(CC)c2)CC1 114315041 BQDFMGZRFAVJHT-UHFFFAOYSA-N 250.346 1.117 0 50 CDAA CCOc1ccc(CCCNC(=O)CO)cc1OCC 55109222 LQKMPDZYGIPWTI-UHFFFAOYSA-N 281.352 1.525 0 50 CDAA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncccn1 345913775 WCEKXUBUEYQMRH-MELADBBJSA-N 277.368 1.493 0 50 CDAA OC[C@@H](CNc1ccc(C(F)(F)F)nn1)[C@@H]1CCOC1 280901398 GYNACJFMXXNFLS-RKDXNWHRSA-N 291.273 1.552 0 50 CDAA CC(C)[C@H](CO)NC(=O)c1cnc(O)c2ccccc12 409413011 YWPZSFXJTJCZBP-ZDUSSCGKSA-N 274.320 1.687 0 50 CDAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NC1C[C@@H]2CC[C@H](C1)N2 422757066 JGZAEBVCIQAEDQ-QBVLNQQASA-N 252.358 1.199 0 50 CDAA COCCN(C)Cc1nc(Cc2ccccc2)n[nH]1 65398184 OGHCXAKNJPWONO-UHFFFAOYSA-N 260.341 1.474 0 50 CDAA C[C@]1(C(=O)NCc2cccc(C(=O)NC3CC3)c2)C[C@H]1F 424594017 QAKGSMQQIGHSGD-CJNGLKHVSA-N 290.338 1.943 0 50 CDAA C[C@H](CCc1ccco1)NC(=O)c1ccc(=O)n(C)c1 65491479 CSRQWSUSPUTJPD-LLVKDONJSA-N 274.320 1.729 0 50 CDAA CN(C)CCCn1cc(CC(N)=O)c2ccccc21 34523431 UNNLNXFKHPMWOK-UHFFFAOYSA-N 259.353 1.621 0 50 CDAA O=C1C=CC(=O)N1Nc1ccc(Br)cc1 275500 FEXWHOOBUZVNDT-UHFFFAOYSA-N 267.082 1.701 0 50 CDAA biogenic CCCN1C[C@H](C(=O)Nc2nccs2)CC1=O 33359493 FJPCHQKZIQXXGE-MRVPVSSYSA-N 253.327 1.340 0 50 CDAA CC1(C)CN(C(=O)Cn2cc(-c3ccccc3)nn2)CCN1 121955482 CEYGQPPZJLTLSU-UHFFFAOYSA-N 299.378 1.156 0 50 CDAA Cc1nc(COC(=O)[C@H]2CCC(=O)N2C)sc1C 328596429 PAIVXNYMOCXWEG-SECBINFHSA-N 268.338 1.424 0 50 CDAA Cc1cc(N)n(CC(=O)N2CC[C@H](CC(C)C)C2)n1 219326412 MBTAQIACUGHRRB-GFCCVEGCSA-N 264.373 1.668 0 50 CDAA Cn1cc(CNC2CCN(c3nccs3)CC2)nn1 329675970 VZNWSBPHTMDUJY-UHFFFAOYSA-N 278.385 1.030 0 50 CDAA O=C1[C@@H]2CCCN2C(=O)N1[C@H]1CCN(c2ccccn2)C1 253419311 LYNJHZVFXPZQLE-RYUDHWBXSA-N 286.335 1.087 0 50 CDAA CC(C)c1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)n[nH]1 524480877 XVWAWQCBFKIJPO-UHFFFAOYSA-N 290.367 1.228 0 50 CDAA O[C@@H]1CCOC[C@H]1[C@H]1CCCN1c1nc2ccccc2[nH]1 359288539 JIYQZPSGPLKKCB-NILFDRSVSA-N 287.363 1.929 0 50 CDAA O[C@@H]1CCCN(c2ccnc(-c3ccc4c(c3)OCO4)n2)C1 215743894 WOMOGWIDJMTCCR-GFCCVEGCSA-N 299.330 1.833 0 50 CDAA NC(=O)c1c[nH]c(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 363358735 JORWCTUZMYALRV-UHFFFAOYSA-N 296.290 1.151 0 50 CDAA CCOC(=O)c1ccc(C(=O)NC[C@@H]2CCCOC2)nc1 339044278 MDNJXDWXDSVGSY-NSHDSACASA-N 292.335 1.415 0 50 CDAA Cn1cc(C[C@H]2CCN(c3ncnc(N)c3Cl)C2)cn1 365470577 ZMAUUCWYVPUSBL-SECBINFHSA-N 292.774 1.515 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N[C@H](CN)C3CC3)c2c1 237864819 IISMKZTUOGRASZ-GFCCVEGCSA-N 258.325 1.338 0 50 CDAA CC[C@H](C(=O)N1CCOC[C@@H]1CC(=O)O)c1ccccc1 129349171 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0 50 CDAA CC(C)(O)[C@H]1CCN(Cc2ccc(CC(=O)O)cc2)C1 670455691 FMDGNAUURRWWEZ-AWEZNQCLSA-N 277.364 1.907 0 50 CDAA CN1C[C@H](NCc2nncn2-c2ccccc2)CC1(C)C 583651143 ICJZBDPLJGJVDX-CYBMUJFWSA-N 285.395 1.840 0 50 CDAA O[C@]1(c2cnn[nH]2)CCCN(c2cnc3ccccc3n2)C1 583616830 UJIYDDNTZZEZBC-OAHLLOKOSA-N 296.334 1.236 0 50 CDAA CC(C)[C@H](CCO)NC(=O)c1cccc2ncn(C)c12 585124342 CTJXNPSBJZQPDC-LBPRGKRZSA-N 275.352 1.710 0 50 CDAA Cc1cnccc1CCN[C@H](C)C[C@H]1CCCC(=O)N1 585117551 LFRLBLBTBNEXCR-UKRRQHHQSA-N 275.396 1.969 0 50 CDAA CCC(=O)N[C@H]1CCN(c2cc(Cl)nc(Cl)n2)C1 1615055356 LIMRRODIUNNCGW-ZETCQYMHSA-N 289.166 1.888 0 50 CDAA C[C@H](N[C@H](C)C[C@@H]1CCCCN1C)c1cn(C)nn1 1615548886 FUVUMAUAGPWEBX-AGIUHOORSA-N 265.405 1.729 0 50 CDAA C[C@H]1CCN(C(=O)c2ccc3ncnn3c2)CCS1 1615585829 GPTJZWUBLCJAMJ-JTQLQIEISA-N 276.365 1.697 0 50 CDAA N[C@H]1CC12CC(NC(=O)c1cccc3c1CCOC3)C2 1615546399 NVAZIGNALYMRNE-WMEQCIOUSA-N 272.348 1.369 0 50 CDAA COc1ccnc(C(=O)N2CCC[C@H](CCCO)C2)c1 219375045 KNGWATRVNXPUJU-GFCCVEGCSA-N 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c1ccc2c(c1)CCc1nnc(-c3cc[nH]n3)n1C2 2356166559 CTTZXBSWTHXEKN-UHFFFAOYSA-N 251.293 1.815 0 50 CDAA COc1cc(C(C)=O)ccc1OC[C@H](O)Cn1ccnc1 4320267 VVXPGRWUNWBHPU-CYBMUJFWSA-N 290.319 1.534 0 50 CDAA Cn1c(COc2ccc(F)cc2)nnc1SCC(N)=O 6742452 WIOHWIJOWGWJRW-UHFFFAOYSA-N 296.327 1.111 0 50 CDAA CCCc1cc(=O)n2nc(Cc3ccccc3)nc2[nH]1 101210285 YACKIGSMSJZRFC-UHFFFAOYSA-N 268.320 1.961 0 50 CDAA CCOC(=O)C(=CNc1cccc(N)n1)C(=O)OCC 100803967 XVFWSINKSUKSMN-UHFFFAOYSA-N 279.296 1.086 0 50 CDAA C[C@@H](CCn1cccn1)NC(=O)CN1CCCCCC1 65435343 PYHAUFRVZHMOSE-AWEZNQCLSA-N 278.400 1.654 0 50 CDAA CCN(C(=O)Cc1ccc2c(c1)OCO2)[C@H](C)CCO 67967235 JSGSLBKMQPZYTM-LLVKDONJSA-N 279.336 1.577 0 50 CDAA CCc1cccc(OCCCN(C)C(=O)CCO)c1 65422720 KDSHVRGHAXJTIE-UHFFFAOYSA-N 265.353 1.859 0 50 CDAA CN(Cc1ccccc1)C[C@@H]1CCCN(CCO)C1 65460515 XOQZAUJMTLVLIL-INIZCTEOSA-N 262.397 1.823 0 50 CDAA N[C@H]1CCOc2ccc(Br)cc2C1=O 62707758 HYAJSVWTEZTGRI-QMMMGPOBSA-N 256.099 1.742 0 50 CDAA CCn1nc(C)c(NS(=O)(=O)c2ccnn2C)c1C 330897631 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YTXHGDJMLXMEMX-UHFFFAOYSA-N 285.351 1.937 0 50 CDAA Cc1cc(NS(=O)(=O)N2CCC2)cc(C(=O)O)c1 332480182 UVWUZJKJEFBKFQ-UHFFFAOYSA-N 270.310 1.056 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)CCn1cc(C)cn1 219315309 SQTPUWALOQPOLU-CYBMUJFWSA-N 275.356 1.373 0 50 CDAA Cc1nc2cc(CNC(=O)[C@@H]3CCCO3)ccc2n1C 74998941 GDZSKELBEQBZND-AWEZNQCLSA-N 273.336 1.677 0 50 CDAA O=S(=O)(c1cnc[nH]1)N1CC[C@@H](O)c2ccccc2C1 363677226 RBUMOLVAPWHHNC-GFCCVEGCSA-N 293.348 1.038 0 50 CDAA Cc1ccc(SCC(=O)N2CCN(C)CC2)cc1 19792377 SMFRBVKDKNSKLF-UHFFFAOYSA-N 264.394 1.861 0 50 CDAA COC[C@@]1(C(=O)N2CCC([C@H]3CCCO3)CC2)CCNC1 333264020 JHECXKNAXJVGNC-GDBMZVCRSA-N 296.411 1.030 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2cnnn2C)c1 282262027 BWJYYCJPKLRPKR-ZFWWWQNUSA-N 288.351 1.132 0 50 CDAA C[C@@H](OCC1CC1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237403749 OBRXQFXDFRCBOO-NEPJUHHUSA-N 283.368 1.905 0 50 CDAA COCCn1cc(NC(=O)c2occ3c2CCOC3)cn1 368490112 KKDQRACQCCXHPN-UHFFFAOYSA-N 291.307 1.448 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)c2cccc3c2OCO3)C1 237509403 YXVVKZONOBCWEP-WDEREUQCSA-N 276.336 1.615 0 50 CDAA Cc1ccsc1CN(CCO)C(=O)[C@H]1CC[C@@H](N)C1 72457074 VSPNMENZPRCOHE-NWDGAFQWSA-N 282.409 1.505 0 50 CDAA Cc1nccnc1N1CCC(C(=O)O)(n2ccnc2)CC1 72422758 RQMBSEMIOWISMY-UHFFFAOYSA-N 287.323 1.062 0 50 CDAA CCCNC(=O)c1cccnc1N1CCC[C@H](CO)C1 32592954 RCJULDIVPGCUJZ-LBPRGKRZSA-N 277.368 1.430 0 50 CDAA N[C@H](C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccccc1 238005976 YLGNQWAYCFVJBV-ZNMIVQPWSA-N 290.363 1.093 0 50 CDAA CC(C)(C)c1cc(C(=O)N[C@@H](C(=O)O)C2CC2)[nH]n1 262159820 OXRQLQBXCCJPKU-SNVBAGLBSA-N 265.313 1.300 0 50 CDAA NC[C@H]1CCCN1S(=O)(=O)C[C@@H]1CCCCC1(F)F 335132432 WOMZLFSFQSKVJH-WDEREUQCSA-N 296.383 1.565 0 50 CDAA O=C(O)C1(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1 238105809 YYIPRNGDFNMSER-GFCCVEGCSA-N 293.294 1.590 0 50 CDAA Cn1ccnc1[C@@H]1CCN(C(=O)/C=C/c2cccnc2)C1 374358257 KWSSUIPYXITKMZ-ISZGNANSSA-N 282.347 1.844 0 50 CDAA CC(C)[C@@H](O)C(=O)N1CCOc2cccc(F)c2C1 336385742 OGKHEGBAVRJOIQ-CYBMUJFWSA-N 267.300 1.564 0 50 CDAA CCc1nc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)O)cs1 262570311 CJPSBXGQRKAAAH-BDAKNGLRSA-N 268.338 1.085 0 50 CDAA O=C(NCc1ccc(Cl)cc1)NC[C@@H]1CNCCOC1 72158291 QDUUTFXUGXWAEM-LBPRGKRZSA-N 297.786 1.375 0 50 CDAA Cc1c(Cl)ccc(S(=O)(=O)NCCO)c1Cl 41096049 DSIHSFIQMIIGQA-UHFFFAOYSA-N 284.164 1.572 0 50 CDAA C[C@H]1OCCN(C/C=C/c2ccc(F)cc2)[C@@H]1C(N)=O 284473318 BLSLINNCIIQPEF-XXMQVSLVSA-N 278.327 1.414 0 50 CDAA COC[C@@H]1CN(Cc2ccnc(N)c2)CC(C)(C)O1 284678523 ZHQKWEFYJUBBQT-LBPRGKRZSA-N 265.357 1.290 0 50 CDAA CN(C)c1ccnc(C(=O)N2CC[C@@](C)(C(=O)O)C2)c1 263445309 QRCPQXGBEJCASX-CQSZACIVSA-N 277.324 1.084 0 50 CDAA CCCCOCC(=O)N1CCC[C@@H](c2nccn2C)C1 82139027 QDCAFLUCBZBFBL-CYBMUJFWSA-N 279.384 1.943 0 50 CDAA O=C(NCCc1nc(=O)c2ccccc2[nH]1)c1ccsc1 221340347 BUEWUCMMSPDDHO-UHFFFAOYSA-N 299.355 1.957 0 50 CDAA CCCC[C@H](NC(=O)c1ccnn1C(C)C)C(N)=O 426627837 SKRCSCURMTZEQY-JTQLQIEISA-N 266.345 1.238 0 50 CDAA CCN(C(=O)c1cccnc1SC)[C@H]1COC[C@@H]1O 223333163 YIGLABYPGOTPSK-QWRGUYRKSA-N 282.365 1.025 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)NCc3nccn3C)C[C@@H]2C1 426420508 YFDUSQMPZDQCJJ-OLZOCXBDSA-N 274.368 1.918 0 50 CDAA CNCc1nnc(SCc2coc(C)n2)n1C 426691175 LERFMRUAJUFTBS-UHFFFAOYSA-N 253.331 1.123 0 50 CDAA COCCOc1cccc(CNC(=O)[C@@H](C)N(C)C)c1 426512311 RPJYARJZDWLXLH-GFCCVEGCSA-N 280.368 1.278 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)NCCCc1ccccn1 426503655 ROOBXSMHAZBLQP-LBPRGKRZSA-N 272.352 1.897 0 50 CDAA CC1=NO[C@](C)(C(=O)NCCc2nc(C(=O)O)cs2)C1 426490360 TVWFVOVKGDODRC-LBPRGKRZSA-N 297.336 1.055 0 50 CDAA CCO[C@@H](C)C(=O)NCc1sc(COC)nc1C 426602551 SECVDTNYTKVAOJ-VIFPVBQESA-N 272.370 1.639 0 50 CDAA O=C(NCCCn1ccccc1=O)C1Cc2ccccc2C1 426405505 LVQHNUYTVQKILS-UHFFFAOYSA-N 296.370 1.770 0 50 CDAA CCCn1cc(C(=O)NCCc2ccncc2)c(C)n1 91625292 HWABKAXPTIZVDT-UHFFFAOYSA-N 272.352 1.969 0 50 CDAA Cc1nc(CCCC(N)=O)n(-c2cccc(F)c2)n1 96161863 REYQNEHFHZQWLI-UHFFFAOYSA-N 262.288 1.523 0 50 CDAA CCc1nnc(Cn2ccc3ncccc3c2=O)o1 95378747 RKXLBBVVUYYQPJ-UHFFFAOYSA-N 256.265 1.390 0 50 CDAA CCC[C@]1(CO)CCCN(C(=O)C2CCOCC2)C1 91624753 ZMAOZPHBAXZEAX-HNNXBMFYSA-N 269.385 1.814 0 50 CDAA CSC[C@H](C)NC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 245343996 WWTWCMKWMPGOFA-XDQVBPFNSA-N 297.468 1.864 0 50 CDAA C[C@]1(OC(=O)c2ccccc2)[C@H]2C=C[C@H]1[C@@H]1C(=O)N[C@H]12 257357858 QKUAKIUNNFNAGZ-AYZOYYRMSA-N 269.300 1.533 0 50 CDAA O=C(NCc1ccccc1OC1CCC1)[C@H]1C[C@H]1C(=O)O 299751882 SCTBOPCJHWWSQH-QWHCGFSZSA-N 289.331 1.955 0 50 CDAA CCn1cc(CN(C)Cc2cc(=O)c(OC)co2)cn1 531614410 VORQQLQZKNKQKM-UHFFFAOYSA-N 277.324 1.497 0 50 CDAA CC(C)CN1CCCN(C(=O)C2CCOCC2)CC1 363379869 YPEFTQGHMLRPAE-UHFFFAOYSA-N 268.401 1.603 0 50 CDAA CCn1ncc(C)c1NC(=O)CNC(=O)c1ccccc1 618445105 JZRQOPUSEHJRSJ-UHFFFAOYSA-N 286.335 1.580 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1O)c1cc2ccccc2[nH]1 629223316 FDAZBHDBDOVDLX-AAEUAGOBSA-N 260.293 1.048 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)CCC2 290416384 MVCCHGWAIQOKQK-KBPBESRZSA-N 261.321 1.319 0 50 CDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ccc(CO)o1)CC2 299770089 ZHNNHKNPDRAZKQ-BYCMXARLSA-N 281.352 1.276 0 50 CDAA Cc1cccnc1Cc1nc(CC(N)=O)nn1C(C)(C)C 826842217 NRZVSMBAEFSXBU-UHFFFAOYSA-N 287.367 1.355 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC1CCN(CC(C)C)CC1 824504755 MIPCAXWMQJVAQE-IRXDYDNUSA-N 297.487 1.804 0 50 CDAA O=C(NC1CCN(Cc2cccs2)CC1)[C@H]1C=CCN1 827690923 MZVZTDOQSONIAQ-CQSZACIVSA-N 291.420 1.357 0 50 CDAA CCCc1cc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)n[nH]1 584887075 GMVKULSMQSMVCS-SNVBAGLBSA-N 273.340 1.373 0 50 CDAA COC[C@@H](c1ccnn1C)n1cnc2ccc(C)cc2c1=O 584885879 UEEWWJVIMAWRSS-HNNXBMFYSA-N 298.346 1.674 0 50 CDAA O=C(CC1CCC1)N1CCN([C@H]2CN3CCC2CC3)CC1 584888164 LMZSGNRWTOVHCL-INIZCTEOSA-N 291.439 1.415 0 50 CDAA CCc1nccn1C[C@H](C)NCCn1ccnc1C 584896031 LGFMOHMSYUYQEX-LBPRGKRZSA-N 261.373 1.629 0 50 CDAA CCN(C)C1(CNC(=O)c2c[nH]c(=O)cn2)CCCCC1 584898488 HVCJIUKTCTWVSI-UHFFFAOYSA-N 292.383 1.154 0 50 CDAA CCO[C@@H](CC)CNC(=O)N(C)CCn1ccnc1 584903910 CDVYEAWUQVSNHT-LBPRGKRZSA-N 268.361 1.340 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCCc2nc(C3CC3)no2)n1 670472807 UWZLCKSXLKQIAM-LLVKDONJSA-N 289.383 1.981 0 50 CDAA Cc1cccc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)n1 408398793 XWKYTHQDCZCOAA-YPMLDQLKSA-N 266.366 1.231 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)[C@@H]2CCc3cccnc32)C1 630155399 IMKZOYAMQSJXKR-WDEREUQCSA-N 260.293 1.045 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)c1cnn(C(F)F)c1 630101300 MNJVADKVHREFCG-MRVPVSSYSA-N 273.239 1.358 0 50 CDAA Cc1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)o1 275351891 ABOFYVDSZQOEHL-STQMWFEESA-N 261.325 1.941 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)CC2=O 91368661 KTUOBYLQQOEIAE-UHFFFAOYSA-N 282.340 1.093 0 50 CDAA in-vitro C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 277281941 SHTNEIOBUBUXLM-XKQJLSEDSA-N 287.359 1.710 0 50 CDAA Cc1cccc2[nH]c(CCC(=O)N3CCN[C@H](C)C3)nc12 188395285 AYWHPIMTWADQCT-GFCCVEGCSA-N 286.379 1.624 0 50 CDAA COc1cccc(CN(C)C(=O)c2cscn2)n1 189183773 SVDZAMWQBAXRMJ-UHFFFAOYSA-N 263.322 1.819 0 50 CDAA N=c1ccc(CN2CCO[C@H](Cc3ccccc3)C2)c[nH]1 647518398 FRYDLPGXYMMJCP-MRXNPFEDSA-N 283.375 1.938 0 50 CDAA C(CN[C@H]1[C@H]2CCO[C@H]2C12CCC2)CO[C@@H]1CCOC1 194077357 RFMRMUZNNZFYAS-APIJFGDWSA-N 281.396 1.729 0 50 CDAA CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)nc1 196134487 ZURXRIROSIKJDS-UHFFFAOYSA-N 276.384 1.362 0 50 CDAA CN(C)[C@H]1[C@@H]2CN(CCC(=O)Nc3cccc(F)c3)C[C@@H]21 585133467 IVXVKLSULBVUOD-FOLVSLTJSA-N 291.370 1.646 0 50 CDAA CC[C@H](O)[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585121767 ZBDHHXKRDOPZCN-XBFCOCLRSA-N 296.411 1.158 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1nc(O)cc(O)n1 585127841 KVVBVKFYHVCSSK-GUBZILKMSA-N 277.324 1.330 0 50 CDAA Cc1oc(CNC(=O)CCn2cccn2)cc1C(=O)O 1775986212 GJWLVIBPZIVMOP-UHFFFAOYSA-N 277.280 1.189 0 50 CDAA C[C@@H](NCC(C)(C)CN1CCCC1)c1nncn1C 1506400238 JOJHMIIDTSAGHL-GFCCVEGCSA-N 265.405 1.588 0 50 CDAA COCCNC(=S)N1CCN(c2ccccc2F)CC1 2778007 QKOMAGOAJVNALY-UHFFFAOYSA-N 297.399 1.469 0 50 CDAA Cc1cccc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1529186837 KVVASVCLOWWXRG-CJNGLKHVSA-N 286.379 1.457 0 50 CDAA CC1=CC[C@H]2CN(C(=O)CCCn3cncn3)C[C@H]2C1 216578954 HKDXZFSFQBQLTE-UONOGXRCSA-N 274.368 1.873 0 50 CDAA Cc1c(F)cccc1C(=O)NC1(C(N)=O)CCC1 643310656 VRTBOMWBFUMYKI-UHFFFAOYSA-N 250.273 1.272 0 50 CDAA CO[C@@]1(C)C[C@@H](NC(=O)C2(C(=O)O)CC2)C1(C)C 154952788 TWZPJEMUSMXAJZ-PELKAZGASA-N 255.314 1.171 0 50 CDAA CC(C)[C@H]1CN(c2ccnc(N(C)C)n2)CCN1C 487060753 KVSQOSZUPZMJHQ-GFCCVEGCSA-N 263.389 1.319 0 50 CDAA Cc1ccc(NC(=O)CN2CCC3(CC2)OCCO3)cc1 6729795 QWENOWISTYVXAE-UHFFFAOYSA-N 290.363 1.772 0 50 CDAA CC(C)N1C[C@H](CN2CCC(N)CC2)CCC1=O 1775982734 DFFQPKRFTZNJPB-LBPRGKRZSA-N 253.390 1.057 0 50 CDAA OC1(c2cccnc2)CCN(CC[C@H]2COCCO2)CC1 1775977491 JKMQFLWDJXHKHG-HNNXBMFYSA-N 292.379 1.171 0 50 CDAA Cc1cc(C)cc(S(=O)(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)c1 1775979570 WZENOLRZKYQLEE-KWCYVHTRSA-N 281.377 1.305 0 50 CDAA CC(C)CCNC(=O)c1cccc(-n2cnnn2)c1 12322331 VKGYKUIZVFPEAT-UHFFFAOYSA-N 259.313 1.438 0 50 CDAA COCC(=O)Nc1ccccc1C(=O)Nc1nccs1 16650616 SJLJZSMORWKNHN-UHFFFAOYSA-N 291.332 1.980 0 50 CDAA CCN1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 19537501 SIKYVZPABJRSRY-UHFFFAOYSA-N 294.395 1.850 0 50 CDAA O=C(NCc1nc2ncccc2o1)c1cccc2nn[nH]c12 1857668272 ZDPLTHNESKFZCV-UHFFFAOYSA-N 294.274 1.424 0 50 CDAA Nc1cccc(-c2ccc([C@H]3CNC(=O)C3)cc2)n1 1875242475 VEXRVAFTJVPAEL-GFCCVEGCSA-N 253.305 1.934 0 50 CDAA CC(C)(C)n1ncnc1CN1CCCC[C@@]1(C)C(N)=O 225772297 GCRYJLQPDMUNMR-AWEZNQCLSA-N 279.388 1.263 0 50 CDAA CNS(=O)(=O)c1cccc(Br)c1 4369197 UVSNSICXRVZAJR-UHFFFAOYSA-N 250.117 1.357 0 50 CDAA in-vitro Cn1c(=O)oc2cc(CN3CCC(C)(CO)CC3)ccc21 332576911 GTMLOWQYTODEHU-UHFFFAOYSA-N 290.363 1.726 0 50 CDAA COc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)cc1C 665344579 OMUUAMDZPIZNMM-CZUORRHYSA-N 291.347 1.537 0 50 CDAA CCCc1oncc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 248162432 YFWKROCJGCTFCM-PWSUYJOCSA-N 263.341 1.403 0 50 CDAA COc1cc(C)nc(N2CCC[C@H](N(C)C)CC2)n1 253433660 ZUIFWMYIXDVMJR-LBPRGKRZSA-N 264.373 1.714 0 50 CDAA C[C@]1(C(N)=O)CCCCN1Cc1ccc2c[nH]nc2c1 680484037 GFAVPPLNDDBVRW-OAHLLOKOSA-N 272.352 1.793 0 50 CDAA CC[C@@H](C)n1[nH]c(=NC(=O)N=c2cc[nH][nH]2)cc1C 390835730 WIPOSHFVYWECHM-MRVPVSSYSA-N 262.317 1.373 0 50 CDAA CCC[C@@H]1NC(=O)N(C[C@]23C[C@H]2COC32CCC2)C1=O 900160248 DAXQKAOTZIWUMW-COPLHBTASA-N 278.352 1.666 0 50 CDAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1ccnc(C2(C)CC2)n1 904904819 SGFQRCIOUAQUNI-ONGXEEELSA-N 277.324 1.271 0 50 CDAA NC1(CNC(=O)c2cc(C(F)F)ncn2)CCCCC1 911652881 XIPQEZQKRKCCLH-UHFFFAOYSA-N 284.310 1.806 0 50 CDAA CC1(C(N)=O)CN(C(=O)c2ccsc2C(F)F)C1 823433331 XTWVQONTZRIWIP-UHFFFAOYSA-N 274.292 1.633 0 50 CDAA COc1cc(COC(=O)CN2CCCCCCC2=O)on1 864086994 PHJNUQLLLOTZBM-UHFFFAOYSA-N 296.323 1.519 0 50 CDAA Oc1ccc(-c2noc([C@@H]3CCCc4nn[nH]c43)n2)cn1 952894364 NSNPPDIUODMCSZ-MRVPVSSYSA-N 284.279 1.424 0 50 CDAA CC(C)(C)OC(=O)CCSC[C@@H]1CC(F)(F)C(=O)N1 1875275693 VKHQBFDKMAKTCX-QMMMGPOBSA-N 295.351 1.975 0 50 CDAA CCN=c1nc(N2CCC[C@H](CO)[C@H]2C)cc(C)[nH]1 1875286968 PAVZJDFUPPMPSR-VXGBXAGGSA-N 264.373 1.236 0 50 CDAA c1nc2cc(C3CC3)nn2c(=NC[C@H]2CCCCO2)[nH]1 1875305305 PJTRJGVAJMKSSR-LLVKDONJSA-N 273.340 1.405 0 50 CDAA CO[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1n[nH]c2c1CCC2 1875308767 VULZEFIODSHVIF-DTVLGXAZSA-N 275.352 1.442 0 50 CDAA C=CC(=O)N[C@@H](C(=O)OC)[C@@H]1CCc2ccccc21 1875368019 JBDBLAUNISVGBQ-TZMCWYRMSA-N 259.305 1.560 0 50 CDAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc3c(c2)COC3=O)cn1 1875379490 RHQNVJHJUDHSOS-YJYMSZOUSA-N 299.330 1.354 0 50 CDAA CC[C@@H]1C[C@H]1NC(=O)c1ccc2[nH]nc(C(=O)OC)c2c1 1875301607 PZKVMWPTOWSSOD-PRHODGIISA-N 287.319 1.878 0 50 CDAA C=CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO 1875370026 XZGCMIFUODVQHB-NWDGAFQWSA-N 298.383 1.297 0 50 CDAA CN(C(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1cnn(C)c1 888076576 UYVSQAVGWLZIPU-OLZOCXBDSA-N 289.339 1.274 0 50 CDAA COc1ccc(-c2cn([C@@H]3CCOC3)nn2)cc1OC 899725586 TXCYCUBESALUPG-LLVKDONJSA-N 275.308 1.924 0 50 CDAA Cc1ccc(NC(=O)NCCc2nc(=O)o[nH]2)cc1 253417156 FITNXDCKQZVIIX-UHFFFAOYSA-N 262.269 1.036 0 50 CDAA C[C@H]1CN(CCC(=O)O)C[C@H](c2ccsc2)O1 262458645 XDRLIORBDFAGGH-GXSJLCMTSA-N 255.339 1.985 0 50 CDAA Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)O)CC[C@@H]1C 263537204 ZYTMXMMOOSKZTM-XVKPBYJWSA-N 266.297 1.617 0 50 CDAA CCCOc1ccc(OCCN2C[C@@H](O)CO2)cc1 311817967 JMPWBLAFBHDXEU-GFCCVEGCSA-N 267.325 1.462 0 50 CDAA CC(C)(C)NC(=O)CCN1CCC[C@@H](CCCO)C1 670457429 IPMHNWUVVAMDTR-ZDUSSCGKSA-N 270.417 1.776 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)C1CC=CC1 864145791 QYRQIZQYHKBPBB-GFCCVEGCSA-N 267.325 1.196 0 50 CDAA Cc1c(C(=O)N(C)[C@@H](C)C2CCC2)nnn1[C@H]1CCOC1 2325769934 VPKZEXVYENUZPM-GWCFXTLKSA-N 292.383 1.809 0 50 CDAA O=C(Nc1cncc2c1CCC2)C(F)(F)[C@@H]1CCNC1 2325799437 YIWBWOHPJYDAFH-SNVBAGLBSA-N 281.306 1.754 0 50 CDAA O=C(C[C@H](CO)NCc1ccccc1)NCc1ccccc1 34177 VXVMQZRTMSIEGT-QGZVFWFLSA-N 298.386 1.844 0 50 CDAA COc1cccc2cc(C(=O)N3CCOCC3)c(=O)oc12 95787 IAOSEYFYNDPMMI-UHFFFAOYSA-N 289.287 1.274 0 50 CDAA CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccco1 132821 QJRGDPYBPDVRRO-NSHDSACASA-N 274.280 1.723 0 50 CDAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 166208 JXMXHRZHMZMBDK-SNVBAGLBSA-N 289.740 1.578 0 50 CDAA Cn1nnnc1SCC(=O)c1ccc(F)cc1 419656 BQPUOYIQRUBPJW-UHFFFAOYSA-N 252.274 1.324 0 50 CDAA O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CCCO1 987656 XJCBOLFPMYQFHX-SCSAIBSYSA-N 267.232 1.674 0 50 CDAA CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)O 2522596 BHTRKISIDQZUQX-NEPJUHHUSA-N 295.335 1.568 0 50 CDAA O=C(O)c1cc(N2C(=O)C=CC2=O)ccc1Cl 4377424 MAJOYTAMATWRHY-UHFFFAOYSA-N 251.625 1.468 0 50 CDAA COc1cc(C(=O)N2CCN(C)CC2)cc(OC)c1OC 4726342 LQEOTHINZCAFAC-UHFFFAOYSA-N 294.351 1.100 0 50 CDAA Cc1nc2n(n1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 8738404 TWODZUVLHIQNBG-SNVBAGLBSA-N 271.280 1.109 0 50 CDAA C[C@H]1COC(C)(C)CN1c1nccc(N2CCOCC2)n1 225410600 FCHVLZWTZATAEE-LBPRGKRZSA-N 292.383 1.317 0 50 CDAA CC(C)(O)CNC(=O)c1ccc(Cn2ccnc2)cc1 225430705 HNKHMYGZCRDYCQ-UHFFFAOYSA-N 273.336 1.432 0 50 CDAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 103075918 MRGAEXCMDNFHJM-DDHJBXDOSA-N 287.271 1.052 0 50 CDAA CC(C)C(=O)Nc1ccc(NC(=O)/C=C/C(=O)O)cc1 9230403 NBAILBXIPAATKE-BQYQJAHWSA-N 276.292 1.860 0 50 CDAA CCOC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1 101364642 RNADULGVARTISQ-UHFFFAOYSA-N 294.332 1.079 0 50 CDAA O=C(O)c1ccccc1C(=O)NC1(CO)CCCC1 53046234 NQIIWWGDNMZYPQ-UHFFFAOYSA-N 263.293 1.420 0 50 CDAA COCC1(c2noc(-c3cc(C)no3)n2)CCOCC1 349711288 KIFYLXPXOQTSBF-UHFFFAOYSA-N 279.296 1.728 0 50 CDAA CC(C)Cn1cncc1CNC(=O)[C@@H]1CCCO1 20911967 WJGSNARAODJGDL-LBPRGKRZSA-N 251.330 1.334 0 50 CDAA COC(C)(C)[C@@H](C)NCC(=O)N(C)CC(F)(F)F 252492290 MHKKHRPBANGVQR-MRVPVSSYSA-N 270.295 1.410 0 50 CDAA O=S(=O)(NCCCOC1CCCC1)c1cccnc1 60921526 CTGDYGPQSDEHLB-UHFFFAOYSA-N 284.381 1.709 0 50 CDAA Cc1cc(F)c(C(=O)N2CCNC[C@H]2C)cc1F 124343090 AJNAEPRPGXPSDB-SECBINFHSA-N 254.280 1.707 0 50 CDAA COc1cc(C)c(CN2CCN(C)[C@H](CCO)C2)cc1C 39551081 DJLXKNRCDIQDCZ-MRXNPFEDSA-N 292.423 1.810 0 50 CDAA [O-][n+]1cc(Br)c(O)c(Br)c1 330784 CQZQZNCIVDIWIF-UHFFFAOYSA-N 268.892 1.551 0 50 CDAA Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccn(C(C)C)n1 281260343 WJVBVKKVJKWOSX-UHFFFAOYSA-N 297.384 1.615 0 50 CDAA Cn1nccc1CNc1cc(N[C@H]2CCCOC2)ncn1 328644094 RRELJDANEGWKGQ-NSHDSACASA-N 288.355 1.413 0 50 CDAA Cn1ncc2c(O)nc(N3CCC[C@@H]3c3ncc[nH]3)nc21 329257737 CCTIBXVYOLSHDZ-SECBINFHSA-N 285.311 1.134 0 50 CDAA Cc1cnc(-c2ccc(OCC(=O)O)cc2)nc1N(C)C 215164095 JBLKEBNKXBPERO-UHFFFAOYSA-N 287.319 1.981 0 50 CDAA Cc1cc(NC2CCOCC2)nc(N2CCCC2)n1 32513750 SYPYELWGMGRRDK-UHFFFAOYSA-N 262.357 1.976 0 50 CDAA Cc1nc(CC(=O)NC[C@H](C)n2ccnc2)cs1 72427318 BIYFEDVPJHSUQA-VIFPVBQESA-N 264.354 1.568 0 50 CDAA c1cn([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)nn1 333479116 PBQVKVZTEQHWEM-SNVBAGLBSA-N 269.312 1.391 0 50 CDAA Cc1cc(CNC(=O)[C@H]2CC[C@H](C(=O)O)CC2)on1 262760487 ZQUXRCWZHRJYIB-MGCOHNPYSA-N 266.297 1.490 0 50 CDAA Cn1ccc(NC(=O)Nc2cccnc2-n2cncn2)n1 158950769 NTADKZRMIWMCGG-UHFFFAOYSA-N 284.283 1.040 0 50 CDAA CCN1CCC(CNC(=O)c2ncc(C)[nH]2)CC1 215557916 ZOFLRCASFRWJCH-UHFFFAOYSA-N 250.346 1.180 0 50 CDAA Cc1ccsc1[C@@]1(C(=O)N2CCNC(=O)C2)CC1(C)C 215734970 FNUSLEBYNPWLTQ-OAHLLOKOSA-N 292.404 1.683 0 50 CDAA NC(=O)C[C@@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 174752253 LNTPPIJZONXKBX-NSHDSACASA-N 285.347 1.896 0 50 CDAA C[C@H]1CCN(C(=O)CC2OCCCO2)C[C@H]1n1ccnc1 239352150 ABGRCFWCZOHZSC-QWHCGFSZSA-N 293.367 1.446 0 50 CDAA Cc1cnc(N2CCCN(c3cccnn3)CC2)s1 240912226 IWPKJXIDLBVTMN-UHFFFAOYSA-N 275.381 1.958 0 50 CDAA COC[C@H](C)n1ccnc1-c1cc2n(n1)CCNC2 72481594 SQMZROXGAGPRMD-JTQLQIEISA-N 261.329 1.057 0 50 CDAA COc1ccc(CN2CCC[C@@](O)(C(N)=O)C2)cc1Cl 284829434 MPLYPHDEPKIALK-AWEZNQCLSA-N 298.770 1.161 0 50 CDAA O=C(Cn1ccnn1)NCC1(c2ccc(F)cc2)CC1 175149946 UJHSZMQBMGXNGQ-UHFFFAOYSA-N 274.299 1.265 0 50 CDAA Cc1nc(-c2ccc(Cl)cc2)[nH]c(=O)c1CCO 45956582 AWQUQJJDDDJRMJ-UHFFFAOYSA-N 264.712 1.934 0 50 CDAA COC(=O)C(C)(C)CCNC(=O)c1ccnc2[nH]cnc12 286637070 ZSNZAYBZTLHTNY-UHFFFAOYSA-N 290.323 1.277 0 50 CDAA Cc1ncnc(C)c1C(=O)N1CCCC[C@@H]1CCC(=O)O 426684342 BHPXHMKXLYJDHY-GFCCVEGCSA-N 291.351 1.953 0 50 CDAA O=C(NCc1ccc(F)cc1)N1CCCC[C@@H]1CO 426628330 SSDGIAHIYBVGMF-CYBMUJFWSA-N 266.316 1.882 0 50 CDAA COc1ccc2c(c1)CCCCN2C(=O)c1cn(C)nn1 289313951 UANJXSWFTQSHCT-UHFFFAOYSA-N 286.335 1.807 0 50 CDAA NCCCC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 178085939 CHKCZTKGIWQVIF-HIFRSBDPSA-N 262.353 1.762 0 50 CDAA Cc1nnc(CCNC(=O)C[C@H]2CCCOC2)s1 426584020 MDQKVWYXQXLQHB-SNVBAGLBSA-N 269.370 1.322 0 50 CDAA Cn1cc(NC(=O)c2cc(=O)[nH]c3ccccc23)cn1 46406445 NZBMCFGLGYNDQX-UHFFFAOYSA-N 268.276 1.514 0 50 CDAA Cc1cnccc1NCCNC(=O)[C@@H]1CCCN(C)C1 223675796 CZZXLDWXLVABNN-CYBMUJFWSA-N 276.384 1.260 0 50 CDAA Cc1nc([C@@H]2CCOC2)cc(N(C)CCN(C)C)n1 426489413 VBABLXWKZZNNRO-GFCCVEGCSA-N 264.373 1.287 0 50 CDAA CCC[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H]1N 91587111 HMMXEMHUSPHVCG-JSGCOSHPSA-N 299.378 1.467 0 50 CDAA COCCc1nc(-c2cnc(C3CCCC3)nc2N)no1 293004543 LKRMLXDYFIRSJP-UHFFFAOYSA-N 289.339 1.955 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCCCO1 97413244 WSBNVGPYAGXWLR-ZDUSSCGKSA-N 275.308 1.750 0 50 CDAA c1cnc(NC2CCN(Cc3ccncc3)CC2)nc1 91444795 RULJPGPIHLPSTK-UHFFFAOYSA-N 269.352 1.948 0 50 CDAA CN(C)c1nc(N(C)Cc2cnn(C)c2)ncc1F 95386730 AJMULRGFLIPQDJ-UHFFFAOYSA-N 264.308 1.052 0 50 CDAA CC(C)CN(CCc1cn[nH]c1)Cc1cnn(C)c1 244602096 DXKNFZLAHMVUIJ-UHFFFAOYSA-N 261.373 1.844 0 50 CDAA CC(C)(C[C@H]1CCCN(C(=O)c2cscn2)C1)C(N)=O 622636259 YHQLKWMWEZFDQO-SNVBAGLBSA-N 295.408 1.897 0 50 CDAA N[C@@H]1CCN(CCCOc2ccc(C(=O)O)cc2)C1 252490694 KZDHIUYVZFFYJK-GFCCVEGCSA-N 264.325 1.187 0 50 CDAA CN(C)C[P@](=O)(O)[C@H]1Cc2ccccc2[C@H]1C(=O)O 252383283 AVXJHCOALLFXGU-NWDGAFQWSA-N 283.264 1.569 0 50 CDAA CCC[C@@](C)(N)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 262674875 RKNSDQITNOTQNT-OAHLLOKOSA-N 290.367 1.886 0 50 CDAA CN1CCN(C(=O)OCc2ccccc2)CCC1=O 146895085 ZIASXLAHWGMUJC-UHFFFAOYSA-N 262.309 1.487 0 50 CDAA Cc1ccnc(CC(=O)NCc2cccc(CO)c2)c1 534648571 WSWRFSLMAWWMAZ-UHFFFAOYSA-N 270.332 1.741 0 50 CDAA CC[C@@H](NC(=O)c1ncoc1C)c1ncnn1CC 534656614 NLGBNDTVBXCCNL-SECBINFHSA-N 263.301 1.476 0 50 CDAA CCc1ccc(S(=O)(=O)N(C)CC2(C)COC2)s1 625409342 XTKOGCIRTDKAJM-UHFFFAOYSA-N 289.422 1.968 0 50 CDAA CC[C@@H](NC(=O)CCS(C)(=O)=O)c1ccc(F)cc1 822655561 ZZEJMYVJBKPSIF-GFCCVEGCSA-N 287.356 1.828 0 50 CDAA CCCOC[C@H]1CCN(C(=O)C(=O)c2cccn2C)C1 584884052 ITEHJDYSRKJHDU-LBPRGKRZSA-N 278.352 1.483 0 50 CDAA CN1CCC[C@@H]1CCn1cnc2cccnc2c1=O 584900149 USWKLKAWXBJFLV-LLVKDONJSA-N 258.325 1.276 0 50 CDAA Cc1cc(C(N)=O)c(NC[C@@H](C(C)C)N(C)C)nc1C 584902990 RBUXIAKWGYYBQW-ZDUSSCGKSA-N 278.400 1.795 0 50 CDAA Cc1ccc2c(=O)n(Cc3csc(=N)[nH]3)cnc2c1C 584898275 MZLKMVJXDCPETN-UHFFFAOYSA-N 286.360 1.931 0 50 CDAA CCCN1C[C@H](n2cnc3c(C)csc3c2=O)CC1=O 584891269 MLQITQQFSOSTII-SNVBAGLBSA-N 291.376 1.950 0 50 CDAA CC(C)CN1CCCN(C(=O)C[C@H]2CCCOC2)CC1 584900182 RFXKONMUDRBAMV-OAHLLOKOSA-N 282.428 1.993 0 50 CDAA Cc1cc(C)n(CCCC(=O)N(C)C[C@@H]2CCOC2)n1 670454890 GAXKKHCGRYAPBL-AWEZNQCLSA-N 279.384 1.775 0 50 CDAA O=C(Nc1ccccc1F)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239433367 XOOKKNOBOAZHCF-KKOKHZNYSA-N 277.251 1.418 0 50 CDAA O=C(NCCc1ccccc1)N[C@H]1C[C@H]2OCC[C@@H]12 1565514371 DZYXQQAYRVVBDC-MELADBBJSA-N 260.337 1.706 0 50 CDAA CCN(CC)CCCN1CCN(C(C)=O)CC1(C)C 170612345 YIYYUMPFSMXPLS-UHFFFAOYSA-N 269.433 1.661 0 50 CDAA CCn1cc(OC(=O)c2ccc(N(C)C)nc2)cn1 170612103 QBYRDFGPJBUAJB-UHFFFAOYSA-N 260.297 1.583 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCc1c(F)cccc1F 268911318 NLKDGPXDRQZDKX-RKDXNWHRSA-N 269.247 1.344 0 50 CDAA C[C@@H](N)[C@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 272212427 HTBFURLJSZYMQV-HIFRSBDPSA-N 298.390 1.611 0 50 CDAA CC(=O)CCC(=O)N1CCN(C(=O)c2ccccc2)CC1 169829559 SGARAYPMJVSMRP-UHFFFAOYSA-N 288.347 1.340 0 50 CDAA Cc1cc(S(=O)(=O)N2CCN[C@H](C)C2)ccc1F 187154006 QYFVFOUZKRQRFB-SNVBAGLBSA-N 272.345 1.117 0 50 CDAA C/C=C/C[C@H](CO)NC[C@@H](O)CN(C)Cc1ccccc1 647524896 KNVMYZGIGYQPMK-MULDZMIYSA-N 292.423 1.396 0 50 CDAA COc1ccc2c(c1)OCCN([C@@H](C)C(=O)O)C2 652446793 ZCOYZRXVRLIAGI-VIFPVBQESA-N 251.282 1.363 0 50 CDAA N#Cc1cccc(CN2CCC[C@]23CCNC3=O)c1 568176954 JIPWDMPBHTZHIH-OAHLLOKOSA-N 255.321 1.413 0 50 CDAA CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1(C(=O)O)CC1(C)C 663101519 SHYQDPORZOIQCJ-WQGACYEGSA-N 294.395 1.573 0 50 CDAA O=S1(=O)CC[C@H](c2cccc(Br)c2)N1 675082150 UUPMZOGYWHCLAP-SECBINFHSA-N 276.155 1.813 0 50 CDAA COc1cc(C(=O)NC2(CC(=O)O)CCC2)sn1 585134701 GYIPQPRSDMKLJV-UHFFFAOYSA-N 270.310 1.279 0 50 CDAA COc1cccc2c1CN(C(=O)[C@H]1C[C@@H]3[C@@H](N)C[C@H]3C1)C2 1615545335 GONDSQHGLVVIAA-CXTNEJHOSA-N 286.375 1.911 0 50 CDAA C[C@H](NCCN(C)Cc1ccccc1)C1(O)CCOCC1 1616037749 LVJJKKGXSUALBG-HNNXBMFYSA-N 292.423 1.638 0 50 CDAA CN(C)S(=O)(=O)Nc1ccc(F)c(Cl)c1 456935 BKGWHCWZEKWWIC-UHFFFAOYSA-N 252.698 1.697 0 50 CDAA CCOC(=O)Cc1nn(CC)c(=O)c2ccccc12 439387 RXYRKMSDCWZSRL-UHFFFAOYSA-N 260.293 1.522 0 50 CDAA O=C(O)CNC(=O)N1CCC([C@@H](O)c2cccs2)CC1 1506417928 CPESFXYVMAYMSG-GFCCVEGCSA-N 298.364 1.288 0 50 CDAA CO[C@H]1CCCN(C(=O)CCCN2CCCC2)C1 1506422806 DNUGQKGRVQHPCT-ZDUSSCGKSA-N 254.374 1.500 0 50 CDAA CC(C)Oc1cc(NC[C@H]2CCCCN2C)nc(N)n1 1506418567 ZYUGCNAAGIAJTD-LLVKDONJSA-N 279.388 1.742 0 50 CDAA CCN(C)C[C@@H](C)NCCn1nc(C)c(C)c1C 1506430932 ZREKGHVIQZFTSF-LLVKDONJSA-N 252.406 1.738 0 50 CDAA COC(=O)c1cc2cc(N(CCO)CCO)ccc2o1 214494381 OWUOKXLZRFTKSX-UHFFFAOYSA-N 279.292 1.010 0 50 CDAA COc1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1Cl 412103498 LDROPXDTUVXDSW-YPMHNXCESA-N 285.771 1.524 0 50 CDAA Cc1c(C(=O)N2CCC[C@](C)(O)CC2)cnn1C 230365691 LJAIHYWRVRPDQV-ZDUSSCGKSA-N 251.330 1.106 0 50 CDAA CN(CC[C@@H]1COCCO1)Cc1cnc2ccccn12 1800410503 USOWJPJADAEEPC-CQSZACIVSA-N 275.352 1.572 0 50 CDAA Cn1ccnc1CN1CCC[C@]2(CCc3c[nH]nc32)C1 1800412159 VNIAFROLXBFZKJ-HNNXBMFYSA-N 271.368 1.623 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCCNC(C)=O)C2 1704339528 KYFWBAYPCDSXGK-GDBMZVCRSA-N 296.411 1.710 0 50 CDAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1sccc1Cl 263261628 WKELTDHLWUTTLX-RXMQYKEDSA-N 283.758 1.495 0 50 CDAA c1cc(CN2CC[C@@H](N3CCOCC3)C2)cs1 121084013 AIIFNEPVKVWJHU-CYBMUJFWSA-N 252.383 1.655 0 50 CDAA CCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1 5853925 IGYRPDIWSYGHMY-UHFFFAOYSA-N 261.277 1.404 0 50 CDAA in-vitro CCOC(=O)c1c(C)[nH]c(C)c(Br)c1=O 5350106 HKFLZPYBNBTAIU-UHFFFAOYSA-N 274.114 1.931 0 50 CDAA C[C@H](NC(=O)CN(C)Cc1ccncc1)C(F)(F)F 19226365 CSKFNXBSUQAGHO-VIFPVBQESA-N 275.274 1.580 0 50 CDAA O=C(Cc1ccccc1)N1CCN(Cc2ccncc2)CC1 19370253 OKXOYYINCCNTCY-UHFFFAOYSA-N 295.386 1.969 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(C4CC4)C3)n[nH]c21 1857529409 QPVBSULBYIUGER-BDAKNGLRSA-N 275.352 1.914 0 50 CDAA C[C@H]1CN(Cc2nncn2C)CCN1c1ccc(F)cn1 1857680210 IAXDUHSGCMTJBG-NSHDSACASA-N 290.346 1.060 0 50 CDAA CCCn1ncnc1-c1ccc([C@H]2CNC(=O)C2)cc1 1875246195 AHTSLWOVIYRAIX-CYBMUJFWSA-N 270.336 1.959 0 50 CDAA O[C@@H](Cn1nnc(-c2cccnc2)n1)CC(F)(F)F 225546088 QBOLZHZUJCSKTK-MRVPVSSYSA-N 273.218 1.048 0 50 CDAA O=C(N[C@@H](CO)CCCO)OCc1ccccc1 2580929 QONUZQBHASYEAL-GFCCVEGCSA-N 253.298 1.046 0 50 CDAA in-vitro CC(C)(C)OC[C@H](O)CN1CCN(c2ccccc2)CC1 20707150 ZVVXETOSGMTCDZ-MRXNPFEDSA-N 292.423 1.985 0 50 CDAA N[C@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 158471757 GBZJCVYBWLTHRH-ZFWWWQNUSA-N 274.364 1.640 0 50 CDAA O=c1cc(N2CC[C@]3(CCCOC3)C2)nc2ccccn12 376483553 FGLZVHBYKXTNNF-MRXNPFEDSA-N 285.347 1.701 0 50 CDAA C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1ccnn1C 902435369 SOONUXISDHVGFY-WDBKCZKBSA-N 256.353 1.695 0 50 CDAA Cc1ccncc1C(=O)N1CCc2occc2[C@H]1C(=O)O 910205578 OHCLXSGYNUYKML-ZDUSSCGKSA-N 286.287 1.807 0 50 CDAA COc1c(C)nc(C2CC2)nc1N1CC[C@@H](C(=O)O)C1 910406411 PCABNWUVHYSVDP-SNVBAGLBSA-N 277.324 1.582 0 50 CDAA O=C(C=C1CCNCC1)NCC[C@@H]1CCCCO1 852884376 KBFPDLQMHMTGBE-ZDUSSCGKSA-N 252.358 1.372 0 50 CDAA CC(C)(C)OC(=O)NC[C@H]1CCn2c(C(=O)O)cnc2C1 1857781020 DRTWAYJAMXRUOL-VIFPVBQESA-N 295.339 1.668 0 50 CDAA Clc1cnc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)nc1 952889494 AMNUUNQHPKYVJG-CBAPKCEASA-N 280.719 1.438 0 50 CDAA Cc1ccc(C)c(CN(C)Cc2nnc3n2CCNC3=O)c1 952884170 VDCGYWFESIEAAM-UHFFFAOYSA-N 299.378 1.270 0 50 CDAA CSCC[C@H](C)NS(=O)(=O)c1cnc(N)c(C)c1 952995748 XSFVFCIKUYMRKF-VIFPVBQESA-N 289.426 1.392 0 50 CDAA N=c1cc2n([nH]1)CCCN(c1ncnc3c1CCCC3)C2 1875287003 QWAACPPJQHHZLZ-UHFFFAOYSA-N 284.367 1.375 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCc3ncc(C)cc32)CC1 1875367067 WMICKVARGNRULU-UHFFFAOYSA-N 299.374 1.704 0 50 CDAA c1cnc(-c2ncc(CN[C@H]3CCNC3)s2)cn1 1875334231 GAEFJVFWHSMPKT-VIFPVBQESA-N 261.354 1.052 0 50 CDAA C=CC(=O)N1CCC[C@H](c2nc(N(C)C)no2)C1 888098872 VOKQTUNBLZDBJE-VIFPVBQESA-N 250.302 1.028 0 50 CDAA Cc1cn2ccc(C(=O)N3C[C@H](N)C4(CCC4)C3)cc2n1 1775962557 SCNQCTJJLWBWPA-ZDUSSCGKSA-N 284.363 1.596 0 50 CDAA O=C(NCCc1ncc[nH]1)c1cncc(Cl)c1 307957467 XHJSCOVQSLAKQO-UHFFFAOYSA-N 250.689 1.431 0 50 CDAA CCCNc1ccccc1C(=O)N[C@@H]1CCNC1=O 534655263 OBMWQNOEPCJOGU-GFCCVEGCSA-N 261.325 1.127 0 50 CDAA O=S1(=O)CC[C@H]2CN(CCC3CCCC3)C[C@H]21 334371150 WUFJGFGEMKBAGV-QWHCGFSZSA-N 257.399 1.686 0 50 CDAA CC(C)c1nc(CCNC(=O)CCc2cn[nH]c2)no1 584890394 WFUKJMHKKDTOFQ-UHFFFAOYSA-N 277.328 1.208 0 50 CDAA CC(C)(C)N1CC[C@@H](NC(=O)c2c[nH]c(=N)s2)C1 584893985 NCXQBIZAYBZTSI-MRVPVSSYSA-N 268.386 1.158 0 50 CDAA CN(C)CC1(O)CCN(c2ncnc3ccsc23)CC1 710642651 PXMLOSYPMFVJSS-UHFFFAOYSA-N 292.408 1.584 0 50 CDAA COc1cc(F)ccc1CN[C@H](C)c1nncn1C 952873239 JNGJHALTRBTQNL-SECBINFHSA-N 264.304 1.814 0 50 CDAA CC(C)n1[nH]cnc1=NC(=O)c1cnc2ccccc2n1 1129839593 BPBYCHKQCREFMK-UHFFFAOYSA-N 282.307 1.476 0 50 CDAA CCOc1ccc(Nc2cc(=O)n(C)c(=O)n2C)cc1 229406 PTILCRWUPPYWLH-UHFFFAOYSA-N 275.308 1.226 0 50 CDAA O=C(NCCCn1ccnc1)C(=O)Nc1ccccc1 12376706 SXUOVYKRAILNRY-UHFFFAOYSA-N 272.308 1.028 0 50 CDAA CN(Cc1ccon1)C1=NC[C@@H](c2ccccc2)N1 2325771412 OESIGGAJPGREQB-ZDUSSCGKSA-N 256.309 1.807 0 50 CDAA C[C@@H]1CCS[C@H]1C(=O)N(CC(=O)O)Cc1ccco1 2325784490 NAXRFKCIYMYZFF-BXKDBHETSA-N 283.349 1.834 0 50 CDAA Cn1ncnc1C1(O)CCN(c2ncccc2Cl)CC1 2325790920 WSNBGZJUUBEVIT-UHFFFAOYSA-N 293.758 1.352 0 50 CDAA O=C(C1=CCSC1)N1CCC[C@@H](c2nnc(O)o2)C1 2325797058 DOCRVMQXPRROMB-MRVPVSSYSA-N 281.337 1.154 0 50 CDAA O=C(NC[C@@H]1CCCOC1)c1n[nH]cc1-c1ccncc1 2325797965 CJDYOUVFDHOTKN-NSHDSACASA-N 286.335 1.628 0 50 CDAA COc1cccc([C@H](O)C(=O)Nc2ccc(CN)cc2)c1 2325865939 VJWAAOZOTWJSOL-HNNXBMFYSA-N 286.331 1.826 0 50 CDAA C=CC(=O)N1CCC(c2nocc2C(=O)OC)CC1 2325890168 GOSVFGKWLZQAJY-UHFFFAOYSA-N 264.281 1.353 0 50 CDAA C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23 57096 NVKWWNNJFKZNJO-YFKPBYRVSA-N 281.214 1.931 0 50 CDAA in-vitro O=C1C=CC(=O)N1c1ccc(Br)cc1 97319 FECSFBYOMHWJQG-UHFFFAOYSA-N 252.067 1.879 0 50 CDAA in-vitro Cc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1 312724 IIVBNXICDXKVBQ-UHFFFAOYSA-N 265.338 1.838 0 50 CDAA Cc1ccc(S(=O)(=O)Oc2coc(CO)cc2=O)cc1 1861786 BYDFHDQOBGSPEW-UHFFFAOYSA-N 296.300 1.208 0 50 CDAA O=C(NCCO)c1cccc2c1C(=O)c1ccccc1-2 2294373 VMFXKDUYPXWSBV-UHFFFAOYSA-N 267.284 1.620 0 50 CDAA CCOC(=O)C(=O)Nc1ccc(NC(C)=O)cc1 2951757 XPGVPXQZSJRMHT-UHFFFAOYSA-N 250.254 1.147 0 50 CDAA CCOC(=O)Cn1nnc(-c2ccc(F)cc2)n1 2965657 SAXVUUSAPAKIGV-UHFFFAOYSA-N 250.233 1.042 0 50 CDAA Cc1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1 6741970 SJDBXHGBFBTMPJ-UHFFFAOYSA-N 296.392 1.286 0 50 CDAA C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1)c1ccccc1 225517795 GKMPVGMMODROHF-YPMHNXCESA-N 260.337 1.575 0 50 CDAA CN(C)S(=O)(=O)N[C@H](c1ccccc1)C(C)(C)CO 225657814 FZNSZDFVQOWXDI-GFCCVEGCSA-N 286.397 1.142 0 50 CDAA CC[C@@H](C)[C@H](C(=O)O)n1nnc2ccccc2c1=O 56684890 NTNMVFQETBLBRH-LDYMZIIASA-N 261.281 1.463 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2ccsc2)[C@H]2CCO[C@H]21 1074573969 XXVZBMFUFGLMMT-NOOOWODRSA-N 267.350 1.528 0 50 CDAA COc1cc(CN2CCC[C@@H]2CO)cc2c1OCO2 23280122 BSHNYWYYKXRJGT-LLVKDONJSA-N 265.309 1.381 0 50 CDAA CS[C@H](C)CNC(=O)C[C@H](C)[C@H]1CCCNC1 248729674 ODEQEDMBMIFSCU-TUAOUCFPSA-N 258.431 1.880 0 50 CDAA CNC(=O)C[C@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C 347124266 GCDVHTMDNWZVKH-JQWIXIFHSA-N 272.389 1.467 0 50 CDAA Cn1nc(COc2ccc(F)cc2)c2c1CCNC2 66323495 TWRRFVWOHYUWSM-UHFFFAOYSA-N 261.300 1.784 0 50 CDAA O=C(CCOc1ccc(F)cc1)N1C[C@H](F)C[C@@H]1CO 348804360 YAFXBFAHVUZDSE-VXGBXAGGSA-N 285.290 1.526 0 50 CDAA Cc1ccccc1S(=O)(=O)N1CCC[C@](C)(O)C1 118992684 RVMUTHMKKNIEDZ-ZDUSSCGKSA-N 269.366 1.531 0 50 CDAA CC(C)N1CCC(CNC(=O)CN2CCCCC2=O)CC1 67773212 HCEBCRNJKAVKCQ-UHFFFAOYSA-N 295.427 1.236 0 50 CDAA CCCCc1cn([C@H]2CN[C@H](C(=O)NC(C)C)C2)nn1 67880567 BBESMIUWVWIHCX-OLZOCXBDSA-N 279.388 1.048 0 50 CDAA CC(C)n1nccc1N1C(=O)[C@@]2(CCSC2)N=C1O 328594909 FWQPBNHPMJXWSD-LBPRGKRZSA-N 280.353 1.600 0 50 CDAA Cn1cc(CNC(=O)[C@H]2C[C@]23CCOc2ccccc23)cn1 332886500 KJEBLPISOPLOLY-PBHICJAKSA-N 297.358 1.777 0 50 CDAA COC[C@@H]1CCCN(C(=O)c2cnc(C)nc2C)CC1 332203522 CZFGJWCIAMFYPN-CYBMUJFWSA-N 277.368 1.982 0 50 CDAA Cc1nnc2ccc(C(=O)N3CC[C@]4(CCOC4)C3)cn12 328976129 BNTOOQBLOZWHNQ-HNNXBMFYSA-N 286.335 1.290 0 50 CDAA C[C@]12CCN(C(=O)c3nccnc3C(=N)O)C[C@@H]1C2(F)F 329195963 VNPPPMDTVDOLGE-MADCSZMMSA-N 296.277 1.477 0 50 CDAA CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 332429154 GRRTUSNHQCDQLM-JMSVASOKSA-N 282.384 1.197 0 50 CDAA O=C(c1c[nH]c(=O)cn1)N1CCCC[C@H]1c1ccccn1 215887593 HRFGETROIMTVOY-ZDUSSCGKSA-N 284.319 1.532 0 50 CDAA C[C@@H]1C[C@H](C(=O)NCc2ccc(CO)c(F)c2)CO1 331259116 HHBFYNMCYSBPRU-SKDRFNHKSA-N 267.300 1.359 0 50 CDAA Cc1ccn(C)c1C(=O)N1CCC[C@@H]1Cn1cncn1 364750245 QVVBVXXIUOZWSA-GFCCVEGCSA-N 273.340 1.230 0 50 CDAA CC1=NO[C@H](C(=O)N(C)CCCn2nc(C)cc2C)C1 71748328 JRMGYUWDDXRYIU-ZDUSSCGKSA-N 278.356 1.513 0 50 CDAA COCC1(CNS(=O)(=O)c2cccc(F)c2)CCC1 282218078 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865451199 KKDLBWAWWGKSKU-ZDUSSCGKSA-N 271.368 1.295 0 50 CDAA CC(C)(C)NS(=O)(=O)c1cccc2nonc12 215276 GXVYXLJMKOZMBG-UHFFFAOYSA-N 255.299 1.300 0 50 CDAA CCCC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 358426 WAMZFBRQBGZNLJ-UHFFFAOYSA-N 284.337 1.250 0 50 CDAA CCN1CCN(C(=O)Nc2ccc(F)cc2)CC1 386889 HQNSYTTYGKNPBR-UHFFFAOYSA-N 251.305 1.995 0 50 CDAA COc1cccc(S(=O)(=O)NCc2ccccn2)c1 387196 SWOIRDRIMBXECN-UHFFFAOYSA-N 278.333 1.569 0 50 CDAA Cc1cccc(NC(=O)C(=O)NC[C@H](C)CN(C)C)c1 2252454 WCRAYGZWBUYZLW-LBPRGKRZSA-N 277.368 1.247 0 50 CDAA COP(=O)(OC)c1ccccc1P(=O)(OC)OC 2512200 TUKTVDDATWNXSN-UHFFFAOYSA-N 294.180 1.909 0 50 CDAA C[C@@]1(C(=O)O)CC1(Br)Br 2568869 QPIUEPZQJYZZPJ-BYPYZUCNSA-N 257.909 1.967 0 50 CDAA CC(C)n1cnnc1CN1CCC[C@]12CCCNC2=O 2356165705 GUQCWDMUMSLPOU-AWEZNQCLSA-N 277.372 1.104 0 50 CDAA CCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OC)c1 4711465 CVDKWVPBZJDXIY-UHFFFAOYSA-N 292.335 1.658 0 50 CDAA O=C(NCCCN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 101837199 KGHKTZJZPDWUCA-MELADBBJSA-N 266.385 1.261 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[S@](=O)[C@@H](C)C2)cc1 8575925 DMMJWCDEXLSTPO-APPDUMDISA-N 287.406 1.137 0 50 CDAA CCOC(=O)NCCC(=O)N1CCC[C@@](C)(OC)CC1 225435775 DGMPFNZLNUNZGX-CQSZACIVSA-N 286.372 1.540 0 50 CDAA COC(=O)N1CCN(C(=O)c2ccnc3ccccc23)CC1 225513790 AEERPRRJSDDSAK-UHFFFAOYSA-N 299.330 1.759 0 50 CDAA O=C(Nc1cccnn1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 247139903 XDLRIEJKSVNCTF-CYZMBNFOSA-N 288.351 1.946 0 50 CDAA Cc1cccc(N([C@H](C)C(=O)NC2CC2)S(C)(=O)=O)c1 65362548 NTMQZGOBVVFBKM-LLVKDONJSA-N 296.392 1.428 0 50 CDAA O=S(=O)(Nc1cccc(F)c1)N1CCCCC1 28580432 PIUDDFMDCHKCOW-UHFFFAOYSA-N 258.318 1.968 0 50 CDAA CSc1ncc(OC(=S)N2CCN(C)CC2)cn1 25579614 OKKYRVOYQBMPFL-UHFFFAOYSA-N 284.410 1.110 0 50 CDAA O=C1O[C@H](CCN2CCOCC2)CN1Cc1ccccc1 71772198 JMJRSZMDWYUNHD-OAHLLOKOSA-N 290.363 1.730 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCCCO1 250889715 XIKCEXZXSXZZAJ-ZDEQEGDKSA-N 281.352 1.800 0 50 CDAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)[C@H]1CCOC1=O 328629209 HYTGQPSLANATFZ-KKUMJFAQSA-N 289.379 1.322 0 50 CDAA CCOC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O 63298568 BUMDIHXPDAJSFZ-UHFFFAOYSA-N 258.277 1.631 0 50 CDAA Nc1ncc(I)cc1CCCO 39961308 YNFARIIDFMCPQJ-UHFFFAOYSA-N 278.093 1.193 0 50 CDAA O=C(c1cccc(=O)[nH]1)N1CC(Oc2ccc(F)cc2)C1 216100485 MSMSRTPVEPINFO-UHFFFAOYSA-N 288.278 1.417 0 50 CDAA CCC(CC)(CN=c1ccc2nnc(C)n2[nH]1)C(=O)O 424468169 IZKBCAOUVKXUIZ-UHFFFAOYSA-N 277.328 1.158 0 50 CDAA O=C(O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1 32500174 QVZDBBGXELZGGO-UHFFFAOYSA-N 272.304 1.917 0 50 CDAA Cc1nnc(CS(=O)(=O)C2CCCC2)n1C1CC1 329209589 CFBZWBBCJKYOJS-UHFFFAOYSA-N 269.370 1.779 0 50 CDAA O=C(O)c1nc(O)c(Br)cc1Cl 217049400 FFKDHGARKXZDSN-UHFFFAOYSA-N 252.451 1.901 0 50 CDAA Nc1nccnc1C(=O)Nc1cccc(-c2cnco2)c1 360353919 JLSJDSNUJPZCSQ-UHFFFAOYSA-N 281.275 1.966 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1ccccn1 328627381 MTNIKOBWCALULG-GFCCVEGCSA-N 270.336 1.613 0 50 CDAA CC[C@H](C)[C@@H](NCc1nnnn1C(C)(C)C)C(=O)OC 362189273 JKJMVDNYJDJQKF-GXSJLCMTSA-N 283.376 1.105 0 50 CDAA O=Cc1ccc2c(I)n[nH]c2c1 31776812 LNFYGHSDBUEHAM-UHFFFAOYSA-N 272.045 1.980 0 50 CDAA Cc1cnn(C2(C(=O)O)CCN(Cc3ccoc3)CC2)c1 72431377 VCZIRUIMYXBGFV-UHFFFAOYSA-N 289.335 1.860 0 50 CDAA C[C@H](N)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 157965440 UFHNJPJMSJFLNE-VHSXEESVSA-N 268.744 1.667 0 50 CDAA c1cc(CCN[C@@H]2CCOC3(CCOCC3)C2)ccn1 77428611 PAJHIFVWCFVXNU-OAHLLOKOSA-N 276.380 1.942 0 50 CDAA CCOc1cncc(N2CC[C@@H](Oc3ccccn3)C2)n1 378168312 LJTZEGSUSMTOIS-GFCCVEGCSA-N 286.335 1.928 0 50 CDAA CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccnc1 333188811 NPDWBZSXWCPOSL-RNJOBUHISA-N 260.337 1.461 0 50 CDAA O=C(NCCC1(O)CCOCC1)[C@H]1Cc2ccccc2O1 285989914 CPCKNWFGKOPKGG-CQSZACIVSA-N 291.347 1.038 0 50 CDAA Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)CN 237716344 SHPLJGPEMGHNOL-UHFFFAOYSA-N 275.352 1.565 0 50 CDAA Cc1cc(C(=O)N[C@](C)(C(=O)O)C2CC2)nn1C(C)(C)C 237764557 HCQWYOZWVLUZKC-HNNXBMFYSA-N 293.367 1.930 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1cn2cc(Cl)ccc2n1 284710630 RMOJKMSVZLAUKF-KOLCDFICSA-N 296.733 1.385 0 50 CDAA CNC(=O)CC1CCN(Cc2nc([C@H](C)OC)no2)CC1 175298421 WYWQLFZPPKCGIX-JTQLQIEISA-N 296.371 1.125 0 50 CDAA COC[C@@H]1CN(C(=O)c2cc[nH]c2C)CC(C)(C)O1 284939734 DNNLZXMOKQXGJB-NSHDSACASA-N 266.341 1.589 0 50 CDAA CC[C@@H]1C(=O)NCCN1c1nnc(C(C)C)s1 290741427 HHUANJGPQAHZQH-MRVPVSSYSA-N 254.359 1.376 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCCN1CCCC[C@H]1C(N)=O 242164652 WWSRHLHABOZBNO-RDBSUJKOSA-N 268.401 1.922 0 50 CDAA CSC[C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 341783344 NIZURDRSIKYAEZ-MKPLZMMCSA-N 270.398 1.159 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)c1cc(C)ncc1O 426596500 MZGNZHHPJBPQPX-SECBINFHSA-N 266.297 1.469 0 50 CDAA CNc1snc(C)c1C(=O)N1CC[C@](C)(O)C1 177391415 NGMJFJKBIAERCB-NSHDSACASA-N 255.343 1.090 0 50 CDAA Cc1cc(C)n(CCCN2CCn3nc(CO)cc3C2)n1 223939520 MKTMSRVVSVQRAF-UHFFFAOYSA-N 289.383 1.095 0 50 CDAA Cc1nccn1CCN=c1cc([C@@H]2CCOC2)nc[nH]1 426623394 ZGUMCGHHTYFQLW-GFCCVEGCSA-N 273.340 1.019 0 50 CDAA CNCc1nnc(SCc2noc(CC(C)C)n2)n1C 426552122 UYZOGDWUKKANLE-UHFFFAOYSA-N 296.400 1.408 0 50 CDAA CO[C@H](CNC(=O)c1ccn(C(C)C)n1)C1CC1 294536404 LLOCJYGWIFUWAJ-GFCCVEGCSA-N 251.330 1.619 0 50 CDAA O=C1N[C@@H](C(=O)NCCc2ccco2)Cc2ccccc21 426388388 JMRZQBQVUIADHI-CQSZACIVSA-N 284.315 1.293 0 50 CDAA COCCN1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1 92097784 UISHGTBXDZIPGC-NWDGAFQWSA-N 293.319 1.162 0 50 CDAA Oc1nc(Cl)ncc1I 142639195 OEAPCAURHYRHQQ-UHFFFAOYSA-N 256.430 1.440 0 50 CDAA Cc1cnn(CCCNC(=O)c2cc(C(C)C)nn2C)c1 91620026 AKGMGBBNNOAXCG-UHFFFAOYSA-N 289.383 1.869 0 50 CDAA O=C(O)[C@H]1CCc2nn(Cc3ccccc3)c(=O)cc2C1 96531408 FACMVMGAETUGIL-LBPRGKRZSA-N 284.315 1.481 0 50 CDAA CNC(=O)CCN(C)C(=O)c1cccc(-c2cn[nH]c2)c1 97087830 SZCAFXSXNCBFQQ-UHFFFAOYSA-N 286.335 1.285 0 50 CDAA O=C(CCCc1cn[nH]c1)N1[C@H]2CC[C@@H]1CCNC2 97654215 RVZCRELAFNCFED-OLZOCXBDSA-N 262.357 1.085 0 50 CDAA COc1cccn(Cc2sc(C)nc2C)c1=O 95524482 QWZSSYSZRPSODX-UHFFFAOYSA-N 250.323 1.979 0 50 CDAA Cc1cc(C(=O)NCCNc2cccnc2)cnc1C 97797268 MMJKQONHJSZBKH-UHFFFAOYSA-N 270.336 1.935 0 50 CDAA CCc1ncc(C(=O)N2CC(N3CCCCC3)C2)cn1 95359512 IDWVKVAGGUPOTO-UHFFFAOYSA-N 274.368 1.349 0 50 CDAA COCC[C@]1(O)CCN(Cc2cc(C3CC3)[nH]n2)C[C@H]1C 91757600 LQBQSICPCLCEOK-MLGOLLRUSA-N 293.411 1.897 0 50 CDAA Cc1ccc2nc(C(=O)N[C@@H]3CCCNC3)c(F)n2c1 97098754 WTDIIHDCLACKKD-SNVBAGLBSA-N 276.315 1.264 0 50 CDAA CC(C)(N)CN1CC[C@@H](Cc2cccc(C(=O)O)c2)C1 91411667 MKLFGAMXUZCXDK-ZDUSSCGKSA-N 276.380 1.987 0 50 CDAA CCn1nc(CC(C)C)cc1C(=O)NCCN1CCCC1 91643751 QYJNDPQRUQKSMO-UHFFFAOYSA-N 292.427 1.927 0 50 CDAA CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ncccc1O 180991604 YNOOBXXWTLQPCO-NSHDSACASA-N 291.351 1.907 0 50 CDAA Cc1c[nH]c(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)n1 244652058 GZAGTMWZPMKTNY-GVXVVHGQSA-N 286.335 1.355 0 50 CDAA CC[C@H](NC(=O)c1[nH]nc(C)c1Cl)[C@H]1C[C@H](O)C1 243914791 BKSCWAYLWYRPLA-CIUDSAMLSA-N 271.748 1.651 0 50 CDAA CC1(C)[C@H](NC(=O)N2CC[C@]3(CCOC3)C2)[C@@H]2CCO[C@H]21 247018874 HIKZTSXIBCRZLE-VLXAULBPSA-N 294.395 1.622 0 50 CDAA CCCCN1CCOC[C@H]1C(=O)NCc1cccnc1 184168442 QTCKJPDANHLJTJ-AWEZNQCLSA-N 277.368 1.199 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 299753773 ZGRWXEDOMIRKJX-UTUOFQBUSA-N 269.341 1.515 0 50 CDAA Cc1cccnc1[C@H](NS(=O)(=O)N(C)C)C1CC1 534580416 TTZOOKUPYVGJRG-GFCCVEGCSA-N 269.370 1.237 0 50 CDAA CC(=O)N1CCC[C@@H](Nc2ncc(F)c(N(C)C)n2)C1 534671133 USWMYDSIFHVDNY-SNVBAGLBSA-N 281.335 1.105 0 50 CDAA CC(C)NC(=O)c1nnn2c1CO[C@H](c1ccccc1)C2 263615528 CVAYBUHHSFMMAW-ZDUSSCGKSA-N 286.335 1.688 0 50 CDAA Cc1ccc([C@@H](CNC(=O)C2(C)COC2)N(C)C)cc1 360315203 COENGIALCNSWOR-CQSZACIVSA-N 276.380 1.750 0 50 CDAA CC(C)N1C[C@@H](OCc2ccc(F)cc2)CN(C)CC1=O 823754626 AWKPISGOBYBWDJ-HNNXBMFYSA-N 294.370 1.893 0 50 CDAA CCN1C[C@H](CNc2nc(N)nc(C)c2Cl)CC1=O 823102619 RQLPAKCAZPMYEX-QMMMGPOBSA-N 283.763 1.301 0 50 CDAA COc1cc(S(=O)(=O)n2cnnc2)ccc1Cl 583645769 JJEOMRFNTIGWNZ-UHFFFAOYSA-N 273.701 1.177 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 584893920 HHIYCLUGFUDTOR-LLVKDONJSA-N 289.339 1.013 0 50 CDAA CC(=O)NC(C)(C)C[C@@H](C)NCC1(CO)CCOCC1 584886746 LYQGEUWAWNVHJJ-GFCCVEGCSA-N 286.416 1.058 0 50 CDAA CN(Cc1ccccc1OCCO)CC1(C)COC1 670448900 MJNFXMURUJINRO-UHFFFAOYSA-N 265.353 1.526 0 50 CDAA Cc1ccc(OC2CN([C@H]3CCNC(=O)CC3)C2)cc1 670437762 YZAWCVKRIAPBQI-CYBMUJFWSA-N 274.364 1.727 0 50 CDAA CC(C)[C@@H](CO)CNC(=O)C1(Cn2ccnc2)CC1 670472640 MYKAGCCKRVQOEW-GFCCVEGCSA-N 265.357 1.044 0 50 CDAA CC(C)CN1CC[C@@H](C(=O)N2C[C@H]3CC[C@H]2C3)C1 685939635 XOAMSYJVTXQXHO-MJBXVCDLSA-N 250.386 1.975 0 50 CDAA CC1=NN(c2ccc3nnc(C(C)C)n3n2)C(=O)C1 951726616 FIDXROCXDQODLI-UHFFFAOYSA-N 258.285 1.360 0 50 CDAA COC(=O)c1cnc2[nH]nc(Br)c2c1 72193750 JFWYGVDBKVBQPJ-UHFFFAOYSA-N 256.059 1.507 0 50 CDAA in-vitro NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)COc1ccc(F)cc1 1565529004 PXITZAQMAWLVTK-STQMWFEESA-N 292.310 1.141 0 50 CDAA CC(C)c1cc(N2CCCS(=O)(=O)CC2)ncn1 408198647 UKSKGJGSKFBBMY-UHFFFAOYSA-N 269.370 1.225 0 50 CDAA CCn1nccc1CN(C)C(=O)c1ccc(C(N)=O)cc1 408515214 GLGDVGWMRZCFFZ-UHFFFAOYSA-N 286.335 1.274 0 50 CDAA CCCCC[C@H](C)NS(=O)(=O)[C@@H](C)C(=O)N(C)C 170613312 PAWYPFONHXJSKD-QWRGUYRKSA-N 278.418 1.351 0 50 CDAA CCCNC(=O)CN1CCC(Nc2ncc(F)cn2)CC1 269440048 AXHJJAQZRVADKC-UHFFFAOYSA-N 295.362 1.018 0 50 CDAA CCOC(=O)c1cnn(-c2cc(F)ccc2F)c1N 87489399 LWVCEZBYECDTPN-UHFFFAOYSA-N 267.235 1.909 0 50 CDAA in-vitro CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cncn1C 275639670 SWVCBBGDGZBNJD-SWLSCSKDSA-N 289.383 1.504 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CCOC[C@H]2C(=O)O)C1 91303560 HTJUFOVAKKEPJG-VIFPVBQESA-N 271.313 1.345 0 50 CDAA in-vitro CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2cn[nH]c21 97759008 NDPZNTWXVIAYLR-SNVBAGLBSA-N 295.339 1.807 0 50 CDAA in-vitro CC(C)C(=O)N1CC[C@@H](N[C@H]2CCCSC2)C1 170074623 KEDGNJXMMSRNBD-NEPJUHHUSA-N 256.415 1.729 0 50 CDAA c1cc(CNC[C@@H]2COC3(CCOCC3)O2)cs1 170067351 YFHIHOGFXHKIEG-GFCCVEGCSA-N 269.366 1.760 0 50 CDAA CC1(C)NC(=O)N(Cc2ccnc(OCC3CC3)c2)C1=O 170592557 DJEUQGCZRFPIBR-UHFFFAOYSA-N 289.335 1.701 0 50 CDAA Cc1ccc(NC(=O)Cn2cc3c(n2)CCCNC3=O)cc1 634551765 CKMWGHDCVLNZHC-UHFFFAOYSA-N 298.346 1.506 0 50 CDAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCN[C@H](C)C1 188445338 JCFMQRKWLAKUBL-GFCCVEGCSA-N 284.363 1.615 0 50 CDAA C[C@H]1CN(C(=O)Nc2ccc(Cl)cn2)C[C@H](CO)O1 190831087 ROMHWOJUYGRDGR-WCBMZHEXSA-N 285.731 1.349 0 50 CDAA Cc1nn(C)c(OCc2nnc([C@H]3CCCOC3)o2)c1C 643649646 CCHXANINQTUNDY-NSHDSACASA-N 292.339 1.893 0 50 CDAA O=C1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)c2ccccc21 644142216 HNLNNWBMNMUFRZ-COPLHBTASA-N 290.338 1.563 0 50 CDAA CN1CCCN(Cc2nnn(C)n2)c2ccccc21 193468651 WFSNTXZYMLSPPN-UHFFFAOYSA-N 258.329 1.057 0 50 CDAA O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1CCO 198898708 CWGIHUKKVIGOGZ-OAHLLOKOSA-N 294.310 1.794 0 50 CDAA biogenic CC(C)n1cc([C@@]2(O)CCCN(Cc3ccon3)C2)nn1 583617954 NAYBGNSGUGILJR-CQSZACIVSA-N 291.355 1.331 0 50 CDAA O[C@]1(c2cnn[nH]2)CCCN(Cc2ncc(C3CC3)o2)C1 583618071 ZXXFPAPGJMLINH-CQSZACIVSA-N 289.339 1.154 0 50 CDAA O=C1NCCC[C@@H]1C(=O)N[C@@H]1CCCOc2ccccc21 585089547 WFBHNMOZEJGRNL-QWHCGFSZSA-N 288.347 1.543 0 50 CDAA CC(C)(C)OC(=O)[C@H]1CCCCN1C[C@@H]1CNC(=O)C1 585094291 DPERJHVZHOMMST-NWDGAFQWSA-N 282.384 1.319 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1Nc1ccc(C(=O)O)nn1 1506424956 NGFOBYCVWGIWCD-PSASIEDQSA-N 250.302 1.069 0 50 CDAA Cc1nc2ccc(C(=O)N3C[C@H](O)[C@@H](F)C3)cc2nc1C 1615701122 LECWEHZEUVBYQL-FZMZJTMJSA-N 289.310 1.401 0 50 CDAA Cc1nonc1NC(=O)c1ccn(CC(F)(F)F)n1 1647633076 BHKLUPLDJCJTAM-UHFFFAOYSA-N 275.190 1.389 0 50 CDAA NC(=O)C1CCN(Cc2c(F)cccc2F)CC1 213121 OMNUYBJUXGGKHW-UHFFFAOYSA-N 254.280 1.662 0 50 CDAA O=C([C@@H]1C=CCN1)N1CCOc2ccc(Cl)cc2C1 1506400568 KMAWLNFRIBHVRI-LBPRGKRZSA-N 278.739 1.589 0 50 CDAA CSCC[C@@H](O)C(=O)N(Cc1ccncc1)C1CC1 222971968 FMAKGKDEJPNXCR-CYBMUJFWSA-N 280.393 1.687 0 50 CDAA c1cn(CCCNc2cc(N3CCCC3)ncn2)nn1 225485158 BEVZAYSLFJSSPO-UHFFFAOYSA-N 273.344 1.171 0 50 CDAA CCCn1nc(C)c(NC(=O)c2cncn2C)c1C 1529125139 MGWAKJFJLVJDSA-UHFFFAOYSA-N 261.329 1.896 0 50 CDAA O=C(NC1CNC1)c1c(Cl)ccc2ncccc12 1857696208 RCZKHZZDBILXHU-UHFFFAOYSA-N 261.712 1.590 0 50 CDAA CCC1=C(C(=O)N2CC[C@@](O)(C3CC3)C2)CCCO1 373356940 WYWOGYOUSDBCIW-HNNXBMFYSA-N 265.353 1.834 0 50 CDAA CNCc1nnc(N(C)CCCOc2ccccc2)o1 1772708854 GKEBRBWAHXDILR-UHFFFAOYSA-N 276.340 1.694 0 50 CDAA O=C1CO[C@@]2(CCN(Cc3cccc4cnccc34)C2)CN1 1772813157 XMLKVDLDVSZCMY-KRWDZBQOSA-N 297.358 1.326 0 50 CDAA O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NC1CCCCC1 13153021 PTGMESSIKGMEGN-CHWSQXEVSA-N 290.363 1.387 0 50 CDAA CC(=O)NCCC(=O)N1CCO[C@H](CCCC(C)C)C1 15067025 SSZVIMVYRCXSIP-CQSZACIVSA-N 284.400 1.566 0 50 CDAA COc1ccccc1NC(=S)NCCN1CCOCC1 18251174 MBUVLBKEDXZGPL-UHFFFAOYSA-N 295.408 1.314 0 50 CDAA COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4N)cc1 19331571 PMIFDJNHYVOVRA-UHFFFAOYSA-N 287.407 1.679 0 50 CDAA biogenic O=C1C[C@@H](NCc2ccco2)C(=O)N1c1ccccc1 19337511 AGYOREXUTINZNA-CYBMUJFWSA-N 270.288 1.701 0 50 CDAA OC/C(I)=C/C(F)(F)F 2530946 IKZCFFDZPLSYCR-IWQZZHSRSA-N 251.973 1.860 0 50 CDAA CC(C)CCCC(=O)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857678378 FEXONQPEAZSRQC-CZUORRHYSA-N 296.411 1.302 0 50 CDAA COc1cc(-c2nccn2[C@@H]2COC[C@@H]2OC)ccn1 1857720269 MGAMBWFTSBCIJU-NEPJUHHUSA-N 275.308 1.540 0 50 CDAA Cc1ccccc1CN(C)C(=O)[C@H]1CC[C@H](N)[C@@H](O)C1 1857730249 OASTYIBCMAJXKB-QEJZJMRPSA-N 276.380 1.442 0 50 CDAA CCC[C@H]1COC[C@H]2CN(c3ccncc3F)CCN12 1875250149 BGSHUJYFFGNWGP-QWHCGFSZSA-N 279.359 1.910 0 50 CDAA CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C 79553 HQHRYESMQNXJGC-UHFFFAOYSA-N 296.396 1.202 0 50 CDAA CN1C[C@H]2CCN(C(=O)c3ccccc3-c3cn[nH]c3)[C@H]2C1 635953026 CRPDHWWMNBYFLF-WBMJQRKESA-N 296.374 1.853 0 50 CDAA COc1ccccc1/C=C/CN1CC[C@@H](O)C[C@H]1C(=O)O 248181898 DZQPKNSSQJBTLQ-HXINVUTJSA-N 291.347 1.618 0 50 CDAA CN(C)Cc1ccc(C(=O)N2CCOCC(F)(F)C2)cn1 368361345 BQDWSVGJHFUTMI-UHFFFAOYSA-N 299.321 1.251 0 50 CDAA O=C(O)C1(C(=O)NCc2noc3ccc(F)cc23)CCC1 902414753 YGGOULWRUGBTPA-UHFFFAOYSA-N 292.266 1.838 0 50 CDAA O=C(O)C[C@H](NC(=O)c1ccccn1)C(F)(F)F 829372734 XVKRERYCOVISQT-ZETCQYMHSA-N 262.187 1.217 0 50 CDAA Cc1ccccc1CCNC(=N)N1CCO[C@H](C)C1 848981836 KTEBNKBKCYCUAU-CYBMUJFWSA-N 261.369 1.783 0 50 CDAA C=CC(=O)N(C)CC(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 862440842 OSKNWWFNEUDAGO-AOOOYVTPSA-N 274.311 1.381 0 50 CDAA CCCc1ccc(C(=O)N2CCO[C@H](C(=O)O)C2)cc1 236912466 RXZOARAYZBURMJ-ZDUSSCGKSA-N 277.320 1.565 0 50 CDAA COc1nscc1[C@@H](C)N[C@H]1C[C@H](S(C)(=O)=O)C1 1875273950 MERANLHTYMIIPP-IWSPIJDZSA-N 290.410 1.378 0 50 CDAA C[C@H](ONC(=O)[C@H]1CCCC12OCCO2)c1ccncc1 1875298169 PZXDTNCFFZMBSU-WCQYABFASA-N 292.335 1.734 0 50 CDAA C[C@H]1CN(C(=O)c2ccncc2F)C[C@@H](C)[S@@]1=O 1875262699 KWUBPGAGWSIUQB-MUYSPXIUSA-N 270.329 1.202 0 50 CDAA O=C(N=c1cc2n([nH]1)CCC2)c1nc(Cl)cs1 1875274464 AOMHGSAMACHBGB-UHFFFAOYSA-N 268.729 1.613 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 1875377018 PUIGTCNJOIVYNV-VZLFFANISA-N 290.411 1.365 0 50 CDAA CN(C[C@@H](O)C1CC1)C(=O)c1cc2c[nH]nc2s1 1776006070 MEQTXSTVAURQTC-SECBINFHSA-N 265.338 1.467 0 50 CDAA CO[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 151884859 BAHUQIMWGVDCOY-KGLIPLIRSA-N 262.353 1.366 0 50 CDAA Cc1nc(S)sc1CC(=O)N1CC[C@]2(CCOC2)C1 154578344 ZVTLZVAKBHLQLJ-ZDUSSCGKSA-N 298.433 1.922 0 50 CDAA O=C(Cc1cccc(Cl)c1)N1CC[C@@H]2CNC[C@@H]2C1 261592316 MIQTURCTXGWZKV-CHWSQXEVSA-N 278.783 1.950 0 50 CDAA Cc1nc(CN(C)Cc2cnc3ccccc3n2)no1 660214426 HRKRAHBFTDCUST-UHFFFAOYSA-N 269.308 1.953 0 50 CDAA Cc1cc(OCC(=O)Nc2ccc(CN)cc2)no1 701399669 NHQJTDICEYLDSP-UHFFFAOYSA-N 261.281 1.459 0 50 CDAA Cc1nc(CN(C)C(=O)[C@H]2CCc3nn[nH]c3C2)cs1 328929696 HETDYHVVBSVFDJ-VIFPVBQESA-N 291.380 1.333 0 50 CDAA N=c1cc(CN2CCC[C@H](N3CCCCC3)C2)cc[nH]1 373229649 OUWUAOFZFYSMHV-HNNXBMFYSA-N 274.412 1.944 0 50 CDAA CCN(CC)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 117288 OTBXGBPWICVCCL-UHFFFAOYSA-N 273.340 1.517 0 50 CDAA Cn1nnc2cc(C(=O)Nc3cccnc3)ccc21 619029 QIBCELFJPQOCAT-UHFFFAOYSA-N 253.265 1.616 0 50 CDAA C[C@H]1CN(C2CC2)CCN1C(=O)CCc1cc(Cl)no1 2100555967 ALGNWOKJCFITPD-JTQLQIEISA-N 297.786 1.956 0 50 CDAA O=C(N[C@@H]1CC[C@H]2C[C@@]21CO)C1(c2cc[nH]n2)CCC1 2325806467 XMRGCJJCHJXXPP-FIXISWKDSA-N 275.352 1.109 0 50 CDAA C[C@H]1CC(NC(=O)c2cc[nH]c(=O)c2)C[C@H](C)O1 123110983 VLTINZYTUIIMHF-IUCAKERBSA-N 250.298 1.061 0 50 CDAA CO[C@@H]1CN(C(=O)Cc2cccc(N)c2)CC[C@H]1C 230211801 HFPJDQPCMOWZHO-BXUZGUMPSA-N 262.353 1.695 0 50 CDAA Cn1ncc(Br)c1C(=O)N1CCCCC1 196867 BFZSJYCGWTUJKA-UHFFFAOYSA-N 272.146 1.809 0 50 CDAA O=C(O)[C@H]1CCC(=O)N1Cc1ccccc1Cl 266790 KSINVMMDBYSEMQ-SNVBAGLBSA-N 253.685 1.916 0 50 CDAA CCOc1ccccc1C(=O)NC1=NCCS1 473925 DIXORQIKSYXIEA-UHFFFAOYSA-N 250.323 1.918 0 50 CDAA COc1cc(C(=O)n2ccc(C)n2)cc(OC)c1OC 477315 OYKZCMONWDBMLU-UHFFFAOYSA-N 276.292 1.906 0 50 CDAA biogenic,in-vitro CCOC(=O)O[C@@H](C)C(=O)NC[C@@H](C)OC(=O)OCC 1871174 HKRYSUXRVIVJTP-BDAKNGLRSA-N 291.300 1.226 0 50 CDAA Cc1cccc(C)c1N(CC(=O)O)S(C)(=O)=O 4672999 IPYRPCJNXGWMQW-UHFFFAOYSA-N 257.311 1.154 0 50 CDAA C(=N/Nc1cc(N2CCOCC2)ncn1)\c1ccco1 4947120 AFLWZDLOGWBHJT-CXUHLZMHSA-N 273.296 1.352 0 50 CDAA CSc1ccccc1-n1nnnc1SCC(=O)O 8496937 YTUNLKZFYNVYJC-UHFFFAOYSA-N 282.350 1.561 0 50 CDAA COc1ccc(CN2CCN(C)[C@H](CCO)C2)cc1 104405403 NHRPSWIXONYTTC-CQSZACIVSA-N 264.369 1.194 0 50 CDAA O=c1c2c(ccn1CCO)ccn2Cc1ccccc1 111997875 PRDFANAMZPONCT-UHFFFAOYSA-N 268.316 1.844 0 50 CDAA O=C(NCCn1cc(Cl)cn1)c1cccc(O)n1 311154715 OBUJRPXNMNZNLV-UHFFFAOYSA-N 266.688 1.067 0 50 CDAA CCOC(=O)C1=C(O)COc2cc(OC)ccc21 101174968 VBIXUZKNTLMSRJ-UHFFFAOYSA-N 250.250 1.920 0 50 CDAA O=C(O)[C@H]1CC(=O)N(Cc2coc(-c3ccccc3)n2)C1 65456211 IORIEPZKNWHYGR-NSHDSACASA-N 286.287 1.775 0 50 CDAA CC(C)[C@H](NC(=O)N1CCOc2ccccc2C1)C(=O)O 63014029 ZLVBMXDAUWIYRO-ZDUSSCGKSA-N 292.335 1.700 0 50 CDAA CCCC(=O)N1CCC(N[C@@H]2CC(=O)N(CCC)C2)CC1 67695450 WCWJOWGSRCJCGL-CQSZACIVSA-N 295.427 1.378 0 50 CDAA O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccnc(O)c1 353182878 PUTOPHLZHMUIJG-UHFFFAOYSA-N 269.260 1.283 0 50 CDAA Cc1cnn([C@H](C)[C@H](C)N[C@H]2C[C@H](C)OC2=O)c1 252474567 HPMNODGYQYOTHD-YFKTTZPYSA-N 251.330 1.435 0 50 CDAA CCCC[C@H](N[C@H]1CCN(C(=O)C(C)C)C[C@H]1C)C(N)=O 252673352 RBMVZQNONVWUDN-RDBSUJKOSA-N 297.443 1.513 0 50 CDAA COc1ccc(OC)c(Cn2cnc3ncccc3c2=O)c1 32576544 BSPNSVWJRPAHIT-UHFFFAOYSA-N 297.314 1.857 0 50 CDAA COc1ccc(CC(=O)NCC[C@@H]2CCOC2)cc1OC 218955451 XASBYSXLXCZIQI-GFCCVEGCSA-N 293.363 1.789 0 50 CDAA Cc1cc2cc(NC(=O)[C@H]3CC(=O)N(C)C3)ccc2[nH]1 123342540 LECUPBUMZMOHQS-NSHDSACASA-N 271.320 1.893 0 50 CDAA O=C([C@@H]1CCOC1)N1CCCN(Cc2ccncc2)CC1 77387680 VKPMSAWZJSNZRV-OAHLLOKOSA-N 289.379 1.152 0 50 CDAA O=C(N=c1cc2n([nH]1)CCCC2)N1CC[C@H](C2CC2)C1 329243149 OUSYFQHYVHMDFW-LBPRGKRZSA-N 274.368 1.905 0 50 CDAA CCOc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1C 35610311 NLIGSCARJZPNFJ-NSHDSACASA-N 287.381 1.443 0 50 CDAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CSCN1C 71748765 NSSZPTMTMJTOEU-NSHDSACASA-N 296.440 1.670 0 50 CDAA CC(C)C[C@@H](C(=O)NCc1nc(O)n[nH]1)c1ccccc1 359277425 QZGFKVPRSIWHDH-GFCCVEGCSA-N 288.351 1.956 0 50 CDAA CCN(Cc1cn(C)nc1C)C[C@@H](O)c1cccc(O)c1 215231384 HOANCXVLIZMWNQ-MRXNPFEDSA-N 289.379 1.990 0 50 CDAA Cc1nn(CCO)cc1CN1CC(N2CCCC[C@H]2C)C1 71278999 FKBLPZUOADOHFY-CYBMUJFWSA-N 292.427 1.242 0 50 CDAA O=C(NCc1ccccc1-n1ccnc1)c1cccc(=O)[nH]1 219276672 ZPKSSTLYRNRADU-UHFFFAOYSA-N 294.314 1.491 0 50 CDAA CC(C)c1noc(N2CC[C@@H](C(=O)N(C)C)C2)n1 334130065 STSYTMZAAZBGGA-SECBINFHSA-N 252.318 1.108 0 50 CDAA CC1=CCN(Cc2cccc(OCC(N)=O)c2)CC1 216023055 UWXSLZFMPDPFHJ-UHFFFAOYSA-N 260.337 1.703 0 50 CDAA CN1C(=O)CC[C@H]1C(=O)N1CC(c2ccc(Cl)cc2)C1 334802172 ZFSVSQXAJUAOIJ-ZDUSSCGKSA-N 292.766 1.887 0 50 CDAA O=C(NC1(c2nccs2)CCCC1)[C@H]1C[C@H]1C(=O)O 262459081 XQLNCEWALBEEGP-DTWKUNHWSA-N 280.349 1.749 0 50 CDAA COC(=O)Cc1occc1C(=O)N[C@@H]1CCCC[C@H]1CO 283333103 HHORBBAAWYEZOR-CMPLNLGQSA-N 295.335 1.276 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C 241837562 SLDWXHBNQFNLNV-KKOKHZNYSA-N 253.342 1.975 0 50 CDAA O=C(c1ccco1)N1CCCC[C@H]1CCN1CCOCC1 77426260 KJQKUYSNSBNUMQ-AWEZNQCLSA-N 292.379 1.997 0 50 CDAA CC[C@H](NC(=O)CN(C)Cc1ccccc1)[C@H]1C[C@H](O)C1 223370732 PJVFTEYOIJLICX-XHSDSOJGSA-N 290.407 1.784 0 50 CDAA Cn1nccc1C(=O)NCCc1nnc(-c2ccccc2)o1 176325664 BHJCMSJKGPNHRR-UHFFFAOYSA-N 297.318 1.443 0 50 CDAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C1CC1)[C@H](C)C(=O)O 263561378 RVUCNHATVVMBNQ-USWWRNFRSA-N 269.341 1.512 0 50 CDAA C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccoc1)C2 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Cn1cnc(C(=O)N=c2[nH]n(C)c3cccc(Cl)c23)c1 2356152027 NGXOXGUDKXKEME-UHFFFAOYSA-N 289.726 1.634 0 50 CDAA CCN(CC(=O)O)S(=O)(=O)c1ccc(C)cc1 2864460 VLAUMFPAOAEZFL-UHFFFAOYSA-N 257.311 1.090 0 50 CDAA O=C(COc1ccc(F)c(Cl)c1)Nn1cnnc1 4749360 ZAVXBZDQUYGGBT-UHFFFAOYSA-N 270.651 1.220 0 50 CDAA COc1ccc2c(c1)OCCN(C(=O)c1ccc(C)nn1)C2 412327306 BYHNDSYVSBKMGP-UHFFFAOYSA-N 299.330 1.828 0 50 CDAA Cc1ccccc1N1C(=O)[C@H]2[C@@H](O)CCCN2C1=O 225455323 DKTCCVGZCVPQEN-NWDGAFQWSA-N 260.293 1.287 0 50 CDAA O=C(NC1CC1)[C@@H]1CCCN1C(=O)C[C@H]1CCCC[C@@H]1O 343074070 UVCFSPXCLGDGAF-XBFCOCLRSA-N 294.395 1.197 0 50 CDAA C/C(=C\C(=O)N[C@@]1(CCO)CCOC1)C(C)(C)C 225567019 PNAXLWHJLVBCJE-MARXPDLDSA-N 255.358 1.637 0 50 CDAA Cc1ccnn1[C@@H]1CC(=O)N(c2ccccc2)C1=O 106653687 PJHDUYJTFXTIAZ-GFCCVEGCSA-N 255.277 1.696 0 50 CDAA CCCC(=O)N1CCC(N[C@H]2CC(=O)N(CCC)C2)CC1 67695453 WCWJOWGSRCJCGL-AWEZNQCLSA-N 295.427 1.378 0 50 CDAA C[C@@H]1CNC(=O)CCN1Cc1ccc(-n2ccnc2)cc1 67982849 YKHMIWPLEWYBHE-CYBMUJFWSA-N 284.363 1.583 0 50 CDAA COC1CCN(Cc2ccccc2-c2nnn[nH]2)CC1 20450375 AHZDMWYLNSBDPV-UHFFFAOYSA-N 273.340 1.478 0 50 CDAA COc1cccc(-c2noc(CN(C)S(C)(=O)=O)n2)c1 67621997 WCFZFGMEOZDWHN-UHFFFAOYSA-N 297.336 1.137 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCO1 250858369 PVPJRLDLBBOPLX-WHOHXGKFSA-N 267.325 1.410 0 50 CDAA CC(C)c1cc(C(=O)NCC[C@@H]2CN(C)CCO2)no1 67447098 HJRGIMNNYNICKI-LLVKDONJSA-N 281.356 1.249 0 50 CDAA CCCn1cc(CNC(=O)Cc2ccccn2)cn1 67818114 PVJQJJFOHAWWCI-UHFFFAOYSA-N 258.325 1.547 0 50 CDAA O=C(CO)NC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 67894156 UQAMVBHGJMNOQS-YCOJEUHLSA-N 288.391 1.520 0 50 CDAA COC(=O)c1cccc(S(=O)(=O)NC(C)(C)C)c1 24257579 OYZRQWCSUBBVGM-UHFFFAOYSA-N 271.338 1.550 0 50 CDAA Cc1nc(CCN)cc(N[C@H](CO)c2ccccc2)n1 67821639 GEBVRTDKHASONV-CQSZACIVSA-N 272.352 1.432 0 50 CDAA Cn1ccnc1-n1cc(-c2cccc(C(=O)O)c2)cn1 67784850 WLHHGTAJPBHRFO-UHFFFAOYSA-N 268.276 1.971 0 50 CDAA COC(=O)[C@H]1CCc2nnc([C@@H]3Cc4ccccc4O3)n2C1 601044355 LJTDQUSBYVODLM-AAEUAGOBSA-N 299.330 1.690 0 50 CDAA COC[C@H](NC1CSCCSC1)c1ccnn1C 67473081 JXEMVLATJZYOKG-NSHDSACASA-N 287.454 1.546 0 50 CDAA CC1=C(C(=O)N(C)C[C@@H]2CCn3ccnc3C2)CCCO1 328631276 QTDOOZMDBVKZSZ-CYBMUJFWSA-N 289.379 1.988 0 50 CDAA Nc1nc(N2CCC[C@@H](c3ncc[nH]3)C2)c2cn[nH]c2n1 77379443 RNGGUHGORYFERS-MRVPVSSYSA-N 284.327 1.042 0 50 CDAA CCC[C@H](NS(=O)(=O)N1CCCCCC1)C(=N)O 331991322 NPNCWBHZYXMWQX-JTQLQIEISA-N 277.390 1.401 0 50 CDAA NC[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Cl 123946748 NHENOVVXOQTHDV-VIFPVBQESA-N 292.763 1.591 0 50 CDAA C[C@]1(C(=O)N2CC[C@@H](n3cccn3)C2)CCCN=C1O 329636731 VIRCBZGLVCMWKW-RISCZKNCSA-N 276.340 1.413 0 50 CDAA COCCN1CN(c2nc3ccccc3s2)CC1=O 253397885 FFYZBWCQGDZBSV-UHFFFAOYSA-N 277.349 1.549 0 50 CDAA C[C@H]1CN(CCN2CCC[C@H](c3nccn3C)C2)CCO1 253398498 UKHJZGFHMQZQAB-GJZGRUSLSA-N 292.427 1.320 0 50 CDAA CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc(C)no2)C1 127021526 UDZBQERTNNDJGD-SNVBAGLBSA-N 280.328 1.355 0 50 CDAA COc1ncc(NC(=O)[C@H]2CC2(C)C)cc1C(N)=O 127657429 OJRQJPHDYRVSHM-SECBINFHSA-N 263.297 1.174 0 50 CDAA CC(C)[C@H]1CCO[C@H]1C(=O)N1CC[C@H](c2nc[nH]n2)C1 333489182 QOISGTUXIWTRQS-QJPTWQEYSA-N 278.356 1.182 0 50 CDAA O=C1N=CN=C2C=CC(I)=C[C@@H]12 504729511 KQRQGLYCEMZHSD-ZCFIWIBFSA-N 272.045 1.501 0 50 CDAA O=C(NCc1cccnn1)Nc1cccc(N2CCC2=O)c1 448052827 FIOKBMYRGHFRNF-UHFFFAOYSA-N 297.318 1.535 0 50 CDAA O=C([C@H]1CCCCN1)N1CCO[C@H](c2cccs2)C1 156185469 PTBAJBHEDRQJJO-NEPJUHHUSA-N 280.393 1.790 0 50 CDAA O=C(c1ccoc1C1CC1)N1CCC[C@@H](c2nn[nH]n2)C1 368536835 GNFDQSIQDHEQBQ-SNVBAGLBSA-N 287.323 1.690 0 50 CDAA C[C@H]1CC[C@H](C(=O)Nc2cccc(-n3cn[nH]c3=O)c2)O1 156589173 WBEBOMAOAPYDDQ-JOYOIKCWSA-N 288.307 1.067 0 50 CDAA Cc1[nH]nc(C(C)C)c1C(=O)N1CCC[C@@](F)(CO)C1 335315342 PUZRESIUADSQNU-AWEZNQCLSA-N 283.347 1.778 0 50 CDAA Cc1ccc(O)c(CN2CCC[C@@]23CCOC3=O)n1 375288246 LIFZKDDYXNDZMT-AWEZNQCLSA-N 262.309 1.377 0 50 CDAA CC(C)c1cc(C(=O)N[C@H](CO)c2ccccc2)n[nH]1 180934314 OZWAQNOXTDSVSL-CQSZACIVSA-N 273.336 1.997 0 50 CDAA CC1(C)CN(CC(N)=O)C[C@H](COc2ccccc2)O1 284595381 QMYGOAVXCIJSBE-CYBMUJFWSA-N 278.352 1.030 0 50 CDAA Cc1noc([C@@H]2CN(Cc3nc(C)c(C)o3)CCN2C)n1 284896740 OEUFTKHZEXXHPV-LBPRGKRZSA-N 291.355 1.472 0 50 CDAA CCN(Cc1nc(COC)no1)C(=O)Cc1cc(C)no1 223141912 IQRCUQQMPYEVIG-UHFFFAOYSA-N 294.311 1.104 0 50 CDAA COC[C@H]1CN(C(=O)c2ccn(C(C)C)n2)CC(C)(C)O1 285411384 GSEKGPGSTOFPQJ-GFCCVEGCSA-N 295.383 1.730 0 50 CDAA CC(=O)N1CCC[C@@](O)(C(=O)NCCC2=CCCCC2)C1 285829269 FRZOEEMOXVGQOA-INIZCTEOSA-N 294.395 1.367 0 50 CDAA Cc1nc[nH]c1CSCCNC(=O)[C@@]1(C)CCCO1 426545465 TXAUEELOVLFAMW-CYBMUJFWSA-N 283.397 1.637 0 50 CDAA Cc1cc(F)c(C(=O)N2CCCNCC2)cc1F 178356568 QQSYSBYEPDNHFO-UHFFFAOYSA-N 254.280 1.709 0 50 CDAA O=C1CCC[C@H]1CCn1nnn(-c2ccccc2)c1=O 178483588 KMTNCKFPGUKPJT-NSHDSACASA-N 272.308 1.188 0 50 CDAA NC[C@@H]1CCN(C(=O)Cc2ccccc2Br)C1 178566919 XNXQZDXMRZFBPL-JTQLQIEISA-N 297.196 1.799 0 50 CDAA O=C(O)c1cc(S(=O)(=O)NC/C=C/C2CC2)ccc1O 381662705 FDTYEUMZTMDXTE-OWOJBTEDSA-N 297.332 1.335 0 50 CDAA COc1cc(C(=O)N2CC[C@H](OC)C2)ccc1F 220746452 ZUOSLQLXLGGLAD-JTQLQIEISA-N 253.273 1.695 0 50 CDAA CCOCCNC(=O)[C@@H]1CC(=O)Nc2ccc(OC)cc21 97785194 WFIGSESHLFQSPZ-GFCCVEGCSA-N 292.335 1.274 0 50 CDAA Cn1c(C(=O)N2C[C@@H]3CNC[C@@H]3C2)ccc1-c1ccccc1 97635057 SNFSUTRQEQUJBK-GASCZTMLSA-N 295.386 1.984 0 50 CDAA CCNc1ncc(C(=O)N(C)Cc2cnn(CC)c2)cn1 91986252 VTVSZQWTRSGHCW-UHFFFAOYSA-N 288.355 1.397 0 50 CDAA CCN(CCCCO)C(=O)c1cnc(C)c(C)c1 97514387 OISIUOYAENFDGY-UHFFFAOYSA-N 250.342 1.933 0 50 CDAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2sccc2c1 92003694 XLORIJXYXFSNPO-LLVKDONJSA-N 293.369 1.942 0 50 CDAA N=C(N)NCCCO[C@@H]1CCC[C@@H](C(F)(F)F)C1 95918048 OETBCKZVZFNTCU-RKDXNWHRSA-N 267.295 1.997 0 50 CDAA O=C(NCc1ccon1)c1ccc(-c2cc[nH]n2)cc1 97546444 MMKHIBCCKIFJMK-UHFFFAOYSA-N 268.276 1.995 0 50 CDAA Cc1cnc(CN2CCN(c3cccc(O)c3)CC2)cn1 332401269 STGKCEXCNXFVJB-UHFFFAOYSA-N 284.363 1.813 0 50 CDAA CC(C)c1nccn1[C@H](C)C(=O)NC1CCOCC1 95359996 MSKVKBWMBRNHNZ-LLVKDONJSA-N 265.357 1.863 0 50 CDAA CC(C)[C@H]1CN(C(=O)CCc2ccco2)C[C@@H]1N 91725426 PASTUUYCPRIHQU-OLZOCXBDSA-N 250.342 1.654 0 50 CDAA CCN1CCN(C[C@H](O)CO[C@H]2CCC[C@H]2C)CC1 245228853 HOQJEEHSQKXMCX-ILXRZTDVSA-N 270.417 1.190 0 50 CDAA CC[C@@H](NC(=O)c1cc(C)nc(C)c1)[C@H]1C[C@H](O)C1 243902084 BFUKNZBVTXBUOF-MRVWCRGKSA-N 262.353 1.978 0 50 CDAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccnc1O 244724639 MXWXTNAZDWQZRP-UHIISALHSA-N 299.330 1.424 0 50 CDAA CC(C)Cc1noc(CN(C)C(=O)c2ccc[nH]2)n1 244858682 VQGRXOMUXFYJQX-UHFFFAOYSA-N 262.313 1.868 0 50 CDAA Cn1ncc2c1CN(C(=O)c1cc(Cl)c[nH]1)C2 623233996 UEQKDMGHIRGDCB-UHFFFAOYSA-N 250.689 1.558 0 50 CDAA CCN(Cc1noc(C)n1)Cc1nnc(C(C)C)o1 252495467 OQZQHUVRBBXTDN-UHFFFAOYSA-N 265.317 1.907 0 50 CDAA CC(=O)N1CCC(CNc2nc(C)cnc2C)CC1 184110138 SMCJHMOWLWQGBX-UHFFFAOYSA-N 262.357 1.764 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)NC[C@H](O)c1ccccc1F 299739479 OWYDTWTWLSRIER-UHTWSYAYSA-N 266.316 1.103 0 50 CDAA COC(=O)N1CCCC[C@@H]1C(=O)NC1(CO)CCCCC1 534644732 PMVYIEKRHHICAN-GFCCVEGCSA-N 298.383 1.419 0 50 CDAA CCC[C@@H](C(=O)NCCc1cc[nH]n1)n1cccc1 534588832 YGWCQVSALDCXJY-ZDUSSCGKSA-N 260.341 1.911 0 50 CDAA CC1(C(=O)NC2(CN3CCCCC3)CC2)COC1 534590669 WZCQFBOJQLTTOR-UHFFFAOYSA-N 252.358 1.158 0 50 CDAA COCC(=O)Nc1cccc(NC(=O)N(C)C)c1C 279356186 DKAMQMXOHKKZJB-UHFFFAOYSA-N 265.313 1.673 0 50 CDAA CCCOc1cncc(NC(=O)[C@H](N)C(C)C)c1 638583741 MUDJMXKXIHILRX-GFCCVEGCSA-N 251.330 1.792 0 50 CDAA CC[C@H](NC(=O)c1nn(C)c(C)c1Cl)c1nc(C)no1 299774449 IALNEJWBOGDJCM-QMMMGPOBSA-N 297.746 1.954 0 50 CDAA CCN(Cc1cnc(OC)nc1)Cc1noc(C2CC2)n1 823086172 CAGCITJXIOAQSP-UHFFFAOYSA-N 289.339 1.768 0 50 CDAA O=C1CCc2c1cccc2C(=O)NC[C@@H]1CCCNC1 828177557 ULYALVPRUHIQJB-LLVKDONJSA-N 272.348 1.545 0 50 CDAA O=c1nc[nH]n2c(Br)c(Br)cc12 725239656 ZZLIFHUQSXRURF-UHFFFAOYSA-N 292.918 1.548 0 50 CDAA O=C1CCc2c1cccc2C(=O)N1CC[C@H](CO)C1 584886085 MJJWSTKSACFYKE-JTQLQIEISA-N 259.305 1.270 0 50 CDAA C[C@@H]1[C@@H](NC(=O)CSc2nnc(N)[nH]2)CCC[C@H]1C 239306296 GRJIZMLXCJXZEV-VGMNWLOBSA-N 283.401 1.420 0 50 CDAA Cc1cnc(C(=O)NCc2ccc3nsnc3c2)cn1 670472823 UWUYXBUBTSANRB-UHFFFAOYSA-N 285.332 1.720 0 50 CDAA Nc1ncc(CN2CCC[C@@H](c3ccncn3)C2)s1 670461277 LQQJPCNUQDNZII-SNVBAGLBSA-N 275.381 1.895 0 50 CDAA CC(C)CN1CCCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 952986911 BQFCVHRHQIBXNL-FICVDOATSA-N 251.418 1.116 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccc(C(C)=O)c1 1565525276 DNCNMQSLWHFRRB-KBPBESRZSA-N 277.320 1.423 0 50 CDAA O=C(O)[C@@H]1CC[C@@H](C(=O)NCC2=CCCC2)N1C1CC1 630663835 DLNDRUGIDGJRRG-STQMWFEESA-N 278.352 1.293 0 50 CDAA CCC[C@@H](CNC(=O)N1CCC[C@H](C(=O)NC)C1)OCC 637338184 HZRXCBKNJNAORZ-STQMWFEESA-N 299.415 1.359 0 50 CDAA CO[C@H]1CN(C(=O)C(C)(C)c2ccccc2)C[C@H]1OC 277786555 JOILHTULXZSSIC-OKILXGFUSA-N 277.364 1.836 0 50 CDAA C[C@H](SCC(=O)N1CCCC1=O)C(=O)OC(C)(C)C 408515333 IERQONFBDFIBAB-VIFPVBQESA-N 287.381 1.599 0 50 CDAA COC(=O)[C@H](Cc1ccc(C)cc1)Sc1nnnn1C 280008780 SJPCXEWFLJOYOQ-NSHDSACASA-N 292.364 1.395 0 50 CDAA Cc1ccc2nc(Cc3nnc(C)n3C)[nH]c(=O)c2c1 192955049 LAQAOBUNFXIGIW-UHFFFAOYSA-N 269.308 1.259 0 50 CDAA COC(=O)[C@H]1CCCN1c1nc(C)nc2c1CCCC2 195579863 YBZCCVXMLWUDAZ-CYBMUJFWSA-N 275.352 1.806 0 50 CDAA COCC1(CC(=O)N2CCC[C@H]2Cn2ccnc2C)CC1 567940600 ABIXNHNAWGBMRJ-AWEZNQCLSA-N 291.395 1.999 0 50 CDAA O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc2cccnc2n1 666915796 GCSSDUKDZAEOBF-LBPRGKRZSA-N 296.374 1.844 0 50 CDAA Cc1cccc2nc(CCNC(=O)c3cccn3C)cn12 585089711 SWXMYOXMAPQRCM-UHFFFAOYSA-N 282.347 1.954 0 50 CDAA O=C(NCCCCO)[C@H]1CCN(Cc2ccc(F)cc2)C1 585091085 VQMOEXTVDCRTDG-AWEZNQCLSA-N 294.370 1.536 0 50 CDAA CN(CC(=O)Nc1nsc2ccccc12)S(C)(=O)=O 585125357 PCSIQIMDLLDXTN-UHFFFAOYSA-N 299.377 1.126 0 50 CDAA CCCc1cc(NC(=O)N=c2[nH][nH]cc2OC)n(C)n1 585119990 FBCBZWZTJQZSHE-UHFFFAOYSA-N 278.316 1.170 0 50 CDAA O[C@H](c1ncc[nH]1)C1CCN(c2ncccc2F)CC1 795166981 OTVMGOMCEQZMOL-LBPRGKRZSA-N 276.315 1.894 0 50 CDAA COc1cc(NC(=O)N[C@H](CO)C(C)(C)C)sn1 1615588043 WSVCPXYBQCNCAS-SSDOTTSWSA-N 273.358 1.680 0 50 CDAA C[C@H]1CN(c2cc(Cl)ccn2)C[C@H]1N1CCOCC1 1616034584 POUBMFQYFZMDBO-WCQYABFASA-N 281.787 1.892 0 50 CDAA Cn1cc(C(=O)N2C[C@@H](O)[C@H](F)C2)c2ccccc21 952967668 CJUSXDOXKOCRKL-DGCLKSJQSA-N 262.284 1.333 0 50 CDAA O=C(Nc1cccc2c[nH]nc12)C(F)(F)[C@H]1CCNC1 1875319157 QSXFHJUJJARZEQ-VIFPVBQESA-N 280.278 1.746 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)/C=C/c1cc(CO)cs1 1506403942 XTDIPTUUDCKBAV-GFSGRHGLSA-N 297.376 1.174 0 50 CDAA CCc1nccn1C[C@@H](C)NCCCC(=O)N(C)C 1506396085 NBVAREZDGBLXAH-GFCCVEGCSA-N 266.389 1.292 0 50 CDAA COC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12 71208 VWHVKJOGQICFMT-UHFFFAOYSA-N 263.249 1.392 0 50 CDAA biogenic O=C(CCN1CCCC1)Nc1ccc2c(c1)OCO2 257526 NTFSZUGSWQDIKB-UHFFFAOYSA-N 262.309 1.840 0 50 CDAA COc1cccc([C@H]2CCN(Cc3ncc[nH]3)C[C@@H]2O)c1 209806925 HKZAEFPANZJNDA-CABCVRRESA-N 287.363 1.769 0 50 CDAA COC(=O)C[C@@H](C)CC(=O)NC[C@@H]1CCCOC1 341434840 ASPKBXNQKJSWSE-QWRGUYRKSA-N 257.330 1.119 0 50 CDAA N[C@H]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 132329010 AORUXMBFCZATHH-JTQLQIEISA-N 288.269 1.644 0 50 CDAA CCS(=O)(=O)c1ccccc1N[C@H](C)CCO 133350627 HXPLIMSGIGCFRY-SNVBAGLBSA-N 257.355 1.663 0 50 CDAA Cc1cccc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)n1 1800411116 GAUGDHNWXJTOOI-CQSZACIVSA-N 290.363 1.703 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1C=Cc1ccccc1 1857528653 BUBDVBJYVPMWEM-LBPRGKRZSA-N 272.304 1.828 0 50 CDAA O=C([C@H]1[C@@H]2CC[C@H]1CN2)N1CCC2(CCCO2)CC1 1857689047 CNLFOYJBMCFRND-RWMBFGLXSA-N 264.369 1.156 0 50 CDAA Cc1ccc(CC(=O)N2CCN3CC[C@H]2C3)cc1F 1857705679 QGDSETHHMAQJFJ-ZDUSSCGKSA-N 262.328 1.593 0 50 CDAA C[C@]12C[C@H]1CN(Cc1cnc(N3CCOCC3)s1)C2 1775979277 ZEGRKLTVZXJLSW-SMDDNHRTSA-N 279.409 1.822 0 50 CDAA Cc1c(CN(C)C[C@@H]2CCC(=O)N(C)C2)cnn1C 1775980694 HOLPZTFDRAENTF-LBPRGKRZSA-N 264.373 1.029 0 50 CDAA CCN1CCn2c(nnc2-c2ccccc2OC)C1=O 1772815778 WXRDQXJRUIYYBS-UHFFFAOYSA-N 272.308 1.429 0 50 CDAA CN1C[C@@H](CN2CCC(c3cc[nH]n3)CC2)CCC1=O 1775978367 RWGSFVRRKRMSER-LBPRGKRZSA-N 276.384 1.458 0 50 CDAA NC1CCN(CCC(=O)c2ccc(Cl)nc2)CC1 12647966 HEPZQQJHMHCTRB-UHFFFAOYSA-N 267.760 1.731 0 50 CDAA NC[C@H](Cc1cccc(Br)c1)C(=O)O 16696852 XHOJQDSCSICOOX-QMMMGPOBSA-N 258.115 1.651 0 50 CDAA Cc1[nH]c2c(C)cccc2c(=O)c1CN1CCN(C)CC1 19236706 OEAIYLPNEPKELV-UHFFFAOYSA-N 285.391 1.892 0 50 CDAA CN1CCN(CCOc2ccccc2C(=O)O)CC1 19833173 CETIEYKHHXZMCF-UHFFFAOYSA-N 264.325 1.011 0 50 CDAA O=C(c1ccn2ncnc2c1)N1CC[C@@H](c2cc[nH]n2)C1 1857677534 GVAAKKPFJQZFIL-LLVKDONJSA-N 282.307 1.082 0 50 CDAA C[C@]1(O)CCN(C(=O)NCCc2c[nH]c3ccccc23)C1 252570605 WXVNOVQXULTESD-INIZCTEOSA-N 287.363 1.877 0 50 CDAA O=C(NCc1cc(O)ncn1)[C@H]1CC[C@H](c2ccccc2)N1 1875246960 OIWCTVHTUFWHSX-ZIAGYGMSSA-N 298.346 1.292 0 50 CDAA CC(=O)N1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 225420351 XVFSIGSIYAJDGA-MELADBBJSA-N 264.369 1.503 0 50 CDAA COc1cc(OC)cc([C@H]2NCCc3nc[nH]c32)c1 12243711 GKPQGYHEHZJQHQ-CYBMUJFWSA-N 259.309 1.662 0 50 CDAA biogenic,in-vitro C[C@H](CNC(=O)N1C[C@H](F)C[C@@H]1CO)c1ccccn1 665421648 AQZAZWWQGAZRME-IJLUTSLNSA-N 281.331 1.299 0 50 CDAA O=C(CCCC1CCCCC1)NCC1CS(=O)(=O)C1 585130382 OOBALNGZOYSUSI-UHFFFAOYSA-N 287.425 1.898 0 50 CDAA C=CC(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1 1262555696 DYRIQWTWZSEGQJ-UHFFFAOYSA-N 293.455 1.827 0 50 CDAA O=c1c(I)cnc2cc(F)ccn12 1857783482 SQPSQPGOCPNMMQ-UHFFFAOYSA-N 290.035 1.438 0 50 CDAA C[C@H]1CCN(C(=O)CNc2cccnc2)CCS1 1875275506 FAABNMZDYQWDEM-NSHDSACASA-N 265.382 1.848 0 50 CDAA O=C([C@@H]1NCc2ncncc21)N1CCCC(F)(F)CC1 1875392413 BBWHBFVVZZHFNK-LLVKDONJSA-N 282.294 1.269 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC[C@]12CCOC(C)(C)C2 1875380359 MKFGHHDUBXZWEB-OAHLLOKOSA-N 280.368 1.191 0 50 CDAA NC(=O)Nc1ccc(Cl)c(C(=O)NCc2cc[nH]n2)c1 1875303333 OESRXNXKGXIYHA-UHFFFAOYSA-N 293.714 1.484 0 50 CDAA CCc1cc(N2C[C@@H]3CCCN3C[C@@H]2CO)nc(CC)n1 895081803 KZHXOCSCVFIGFA-UONOGXRCSA-N 290.411 1.247 0 50 CDAA O=c1cc(CN2CCC[C@@H](c3ccon3)C2)[nH]c2ccnn12 1775997152 XCNIVGIHHLMPAX-LLVKDONJSA-N 299.334 1.390 0 50 CDAA CN1CCC(NCc2csc(C3OCCO3)c2)CC1 1775990403 FQKQIZLZRMJDAL-UHFFFAOYSA-N 282.409 1.977 0 50 CDAA O=C(NCc1ccc2nc[nH]c2c1)C1CC2(C1)C[C@@H]2C(=O)O 1776006086 MBUNUBYCYKPQAM-NOEPWBJOSA-N 299.330 1.680 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2ccccc2C1 145878103 PBRFDIYGGFBVNU-KGLIPLIRSA-N 273.332 1.867 0 50 CDAA O=C(O)C[C@H]1CCCN1C(=O)COC1CCCC1 262840873 CDZUNAXEMCMFQU-SNVBAGLBSA-N 255.314 1.411 0 50 CDAA CCC(CC)(CNC(=O)c1cccn(C)c1=O)C(=O)O 262917564 IHGZXTAMMWWDMK-UHFFFAOYSA-N 280.324 1.006 0 50 CDAA Cc1nc(C(=O)N2CCOC[C@H]2CC(=O)O)c(C)s1 263295727 MHIVTAHSPDYBNG-SECBINFHSA-N 284.337 1.076 0 50 CDAA CC(=O)N1CCC(N(C)Cc2nncn2C(C)C)CC1 65387827 HXXOYODNHRSZJZ-UHFFFAOYSA-N 279.388 1.302 0 50 CDAA CC(C)(C)n1cc(CNc2nnc(C3CC3)o2)nn1 191513535 IEKPMKGOKKUHMV-UHFFFAOYSA-N 262.317 1.906 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)c1csc(=N)[nH]1)C1CC1 534673883 XYBQGKBSWXDTRL-VIFPVBQESA-N 277.353 1.170 0 50 CDAA O=S(=O)(N1CCCCC1)N1CCC[C@H](c2cc[nH]n2)C1 368923395 SRBPFXIZEUNZBV-LBPRGKRZSA-N 298.412 1.320 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(C(=O)CCc3cccnc3)CC[C@H]21 721229805 JGDOYOGTHNGTJN-MBNYWOFBSA-N 274.320 1.193 0 50 CDAA CC(=O)Nc1nc(CN2CCNC(=O)CC2(C)C)cs1 931207784 RRYNDDRVUHYAPA-UHFFFAOYSA-N 296.396 1.202 0 50 CDAA CCCCS(=O)(=O)Cc1cc(Cl)n(C)n1 863420646 ORIAHKNCDJKDLP-UHFFFAOYSA-N 250.751 1.788 0 50 CDAA CC(=O)Nc1ccccc1C(=O)C(=O)NCc1ccco1 2877093 DBMPFRHAZFSGJA-UHFFFAOYSA-N 286.287 1.737 0 50 CDAA CN(C(=O)c1ccc(F)c2c1CCNC2)[C@H]1CCOC1 2325778295 PMHFGGSRLWERMY-JTQLQIEISA-N 278.327 1.332 0 50 CDAA Cc1nnc2n1C[C@H](C(=O)N[C@@H]1CCCC13CC3)C2 2325781000 BFKRWOATMKXLDG-GHMZBOCLSA-N 260.341 1.208 0 50 CDAA C[C@@H](Cc1cn(C)c2ccccc12)NC(=O)c1n[nH]c(O)n1 2325786981 QOQJGFQQGOEBBV-VIFPVBQESA-N 299.334 1.363 0 50 CDAA O=C(CN1CCCCC1)N1CCN(c2ccccc2)CC1 28977 WQWCAMVCESGZRP-UHFFFAOYSA-N 287.407 1.821 0 50 CDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 168060 QJAUYXLZQGTBOP-UHFFFAOYSA-N 298.364 1.149 0 50 CDAA OC[C@@H]1N=C(c2ccccn2)O[C@@H]1c1ccccc1 210281 FBXZTVLHMLAKBJ-UONOGXRCSA-N 254.289 1.961 0 50 CDAA O=C(OCN1C(=O)c2ccccc2C1=O)c1ccco1 469227 UZJJXGGPKFMCCV-UHFFFAOYSA-N 271.228 1.690 0 50 CDAA CCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 471784 SUXDWDAEDPXFNR-UHFFFAOYSA-N 290.363 1.838 0 50 CDAA CCN(CC(N)=O)S(=O)(=O)c1ccc2ccccc2c1 614844 NEUXZWWKALQJRK-UHFFFAOYSA-N 292.360 1.336 0 50 CDAA CCOC(=O)C(=Cc1ccc2c(c1)OCO2)C(=O)OCC 1608574 YRPDOPMGYCRHAW-UHFFFAOYSA-N 292.287 1.925 0 50 CDAA Cc1ccc(S(=O)(=O)c2cc(C)nc(N)n2)cc1 2562056 XUOYIZBDMDPDEJ-UHFFFAOYSA-N 263.322 1.508 0 50 CDAA in-vitro CCc1ncnc(N2C[C@H]3COC[C@@]3(COC)C2)c1F 2356136704 GFKPQBPKLIRCIN-HZMBPMFUSA-N 281.331 1.277 0 50 CDAA COP(=O)(NS(=O)(=O)c1ccccc1)OC 3070692 WIBBFOBNDQNRMY-UHFFFAOYSA-N 265.227 1.366 0 50 CDAA CC[C@]1(O)CCC[C@H]2CN(c3nc(N(C)C)ns3)C[C@H]21 2356145179 FDAUUORVQVNJJU-WDMOLILDSA-N 296.440 1.982 0 50 CDAA Cc1cc(NC(=O)C(=O)NC2CCC(C)CC2)no1 4851476 FRSMWWFNUPJQOX-UHFFFAOYSA-N 265.313 1.616 0 50 CDAA CCOc1ccc(C(=O)N2CCN(C)CC2)c(OCC)c1 6742557 BUKJQORBLBCFQE-UHFFFAOYSA-N 292.379 1.872 0 50 CDAA O=C(NCCOc1ccccc1Cl)c1nc[nH]n1 7003952 XBLDWUTWKKXKER-UHFFFAOYSA-N 266.688 1.267 0 50 CDAA O=C(NCCO)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100328979 FAIQDBHIAYJQKX-ITSCGTHASA-N 257.761 1.673 0 50 CDAA CCOc1ccc(Cc2c(C)nc(N)[nH]c2=O)cc1 8662589 WATXCYJQUBTTOF-UHFFFAOYSA-N 259.309 1.650 0 50 CDAA COC(=O)[C@H]1CCc2nnc([C@@]3(C)CCCO3)n2CC1 601044399 PKOUVAIGPGAGJV-IINYFYTJSA-N 279.340 1.429 0 50 CDAA COC(=O)c1sc(Cl)cc1S(=O)(=O)NC1CC1 20134850 RDWODORLVDGIBM-UHFFFAOYSA-N 295.769 1.629 0 50 CDAA C[C@H](C(=O)N(C)C)N(C)Cc1ccc(Cl)nc1 67458175 QJQOCFAOTFMCBC-SECBINFHSA-N 255.749 1.644 0 50 CDAA Cc1c(CN(C)c2cc(OC(C)C)nc(N)n2)cnn1C 65491902 PKDDIIJIODTDJO-UHFFFAOYSA-N 290.371 1.524 0 50 CDAA CC1=CC[C@H]2CN(C(=O)Cn3nc(C)cc3N)C[C@H]2C1 1074517159 JWZFCXOOVIGSTC-QWHCGFSZSA-N 274.368 1.588 0 50 CDAA COCC1(C(=O)NCC[C@H]2CCCN(C)C2)CCC1 67432950 ZBOWUFHWBFRXKZ-CYBMUJFWSA-N 268.401 1.651 0 50 CDAA CSc1nc(-c2cc(F)cc3c2O[C@H](CN)C3)n[nH]1 67588726 QJTRWRHEMZIKLO-QMMMGPOBSA-N 280.328 1.595 0 50 CDAA COCc1cccc(CNC(=O)[C@H]2CCC(=O)N2C)c1 354352440 PNIHUBDBRRFXLQ-CYBMUJFWSA-N 276.336 1.070 0 50 CDAA CC(=O)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 1211788 JMZOHIUFWAZBKL-LLVKDONJSA-N 272.226 1.894 0 50 CDAA CCC1(C(=O)NS(=O)(=O)c2ncn(C)c2Cl)CC1 750692448 FJMDGBSMOHUKEK-UHFFFAOYSA-N 291.760 1.069 0 50 CDAA C[C@H]1CCN(C(=O)C2(O)CCCCC2)C[C@@H]1n1ccnc1 124546145 LSQOGGIVFVDHKX-KBPBESRZSA-N 291.395 1.988 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](CC(C)C)C(=O)O 37430841 WPNRYUKWFIGPLA-ZDUSSCGKSA-N 295.383 1.585 0 50 CDAA C[C@@H]1CN(C(=O)Nc2ccccn2)C[C@@]2(CCCOC2)O1 253429173 GRPUTKSJILRVFV-IUODEOHRSA-N 291.351 1.883 0 50 CDAA Cc1cc(N[C@@H]2CCCN(c3nccnc3O)C2)ncn1 328637543 WAKNQQBQNHBFHE-LLVKDONJSA-N 286.339 1.362 0 50 CDAA Cc1cc(N[C@@H](C)c2nnc(N)s2)n2nccc2n1 72418905 CAIQZRHNSDIKHJ-ZETCQYMHSA-N 275.341 1.645 0 50 CDAA CC[C@H](C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)n1cccn1 219562141 GOUBHVAIIXPZFF-CYBMUJFWSA-N 299.334 1.320 0 50 CDAA CC(C)CCn1cccc1CN1CC(N2CCNC2=O)C1 362324928 QWOZQAFLZDRFIN-UHFFFAOYSA-N 290.411 1.744 0 50 CDAA C[C@@H]1CC[C@@H](CNC(=O)Cc2nc3ncccn3n2)C1 331500537 PVIOWHQTVXGKEU-GHMZBOCLSA-N 273.340 1.219 0 50 CDAA Cc1ncc(C(=O)N2C[C@H](O)C3(CC3)C2)c(C2CC2)n1 369188894 PALKQMQUJSUJFM-LBPRGKRZSA-N 273.336 1.259 0 50 CDAA C[C@H]1CN(C(=O)CS(=O)(=O)C2CC2)C(C)(C)C1 333602460 VKISHLIVOFWDKO-SECBINFHSA-N 259.371 1.211 0 50 CDAA CC(C)CN1CCN(C[C@@H]2CCNC(=O)CC2)[C@H](C)C1=O 333756555 YSSCELPSEGKTAT-KGLIPLIRSA-N 295.427 1.091 0 50 CDAA O=c1[nH]nc(C2CCN(Cc3cccc(F)c3)CC2)o1 284254933 LSHONGRWRKUCNQ-UHFFFAOYSA-N 277.299 1.882 0 50 CDAA CC1=C[C@H](C)CN(C(=O)C(C)(C)S(C)(=O)=O)C1 334662883 BWZPXQYVZAYLBK-VIFPVBQESA-N 259.371 1.234 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccccc2Cl)C1 284452075 BNNZQHYTVOGWEH-JQWIXIFHSA-N 268.744 1.415 0 50 CDAA O=C(c1cnn[nH]1)N1CCC[C@H]1Cc1cc(F)ccc1F 334905643 DBZOTHATVIYHRI-NSHDSACASA-N 292.289 1.930 0 50 CDAA COC[C@H]1CCCCN1C(=O)c1ccc2nccn2c1 335351785 DOFWIGZOQNCGFK-CYBMUJFWSA-N 273.336 1.975 0 50 CDAA O=C(N=c1cc(C2CCCC2)[nH][nH]1)[C@@H]1CCn2cncc2C1 335351598 DXKRWYKKBCVZDM-GFCCVEGCSA-N 299.378 1.887 0 50 CDAA COC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)cc(C)o1 221410020 VYZXGNVBIRUXFB-ZYHUDNBSSA-N 265.309 1.493 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1c[nH]nc1-c1cccs1 426401537 CAIOURHFLXXNPN-UWVGGRQHSA-N 293.348 1.282 0 50 CDAA CCn1cnc2c(c1=O)CCN(Cc1scnc1C)C2 289399382 NRMHBPIPHBDVSK-UHFFFAOYSA-N 290.392 1.586 0 50 CDAA CSc1ncc(C(=O)NCCCc2cnn(C)c2)cn1 223027558 PPDKDTNKQPCEOY-UHFFFAOYSA-N 291.380 1.295 0 50 CDAA Cn1ncnc1-c1ccnc(NCCCc2ccncc2)n1 82039599 WGOIIRFIXDWEAB-UHFFFAOYSA-N 295.350 1.712 0 50 CDAA CCCCN(CC(N)=O)c1cc(C)nc(-c2ccncc2)n1 179265218 CKZZOXCRBHOSME-UHFFFAOYSA-N 299.378 1.939 0 50 CDAA COc1cccc([C@@H](C(=O)O)N(C)Cc2ncc[nH]2)c1 95380358 YUJVJXFXNFTCQM-ZDUSSCGKSA-N 275.308 1.676 0 50 CDAA COCC[C@@]1(CO)CCCN(Cc2ncccn2)C1 91689904 LNUNVAYOQYQJES-AWEZNQCLSA-N 265.357 1.088 0 50 CDAA O=C1CN(C(=O)NCCCc2ccc(F)cc2)CCCN1 426361448 XAAKSRWBULPTCZ-UHFFFAOYSA-N 293.342 1.290 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CCCCN2C[C@H]1CN 238853198 IPIMDODCXFTYQT-NWDGAFQWSA-N 269.389 1.419 0 50 CDAA C[C@H]1CNC(=O)CCN1C(=O)c1ccc2c(c1)CCCO2 426511862 YMNZHIIAKQWAEY-NSHDSACASA-N 288.347 1.362 0 50 CDAA COCCN1C[C@@H](C(=O)O)[C@H](c2ccccc2OC)C1 91594241 IXGBTVVXVMCFNR-QWHCGFSZSA-N 279.336 1.442 0 50 CDAA COCC[C@]1(O)CCN(Cc2nnc(C)s2)C[C@H]1C 91626008 IQSFWJUBDDWAHD-ZWNOBZJWSA-N 285.413 1.456 0 50 CDAA Cc1ccc2cc(C(=O)N3CCNCC3)c(C)nc2c1 237888463 FJPPVWJICMYIMN-UHFFFAOYSA-N 269.348 1.897 0 50 CDAA Cc1nonc1Cn1cccc(C(F)(F)F)c1=O 95381458 GEQIWDOCXFAUKQ-UHFFFAOYSA-N 259.187 1.607 0 50 CDAA C[C@H](Cc1cnccn1)N(C)CC(=O)NCc1ccccc1 244741845 NXWPQPWSDOYGRQ-CQSZACIVSA-N 298.390 1.656 0 50 CDAA O=C(N[C@]1(CO)CCOC1)c1cccc(-c2ccoc2)c1 182834672 WELJXIHLYJRUSQ-INIZCTEOSA-N 287.315 1.828 0 50 CDAA Cc1cccc([C@H](C)C(=O)N2CCOC[C@@H]2C(=O)O)c1 299752654 UWUNTURQKBTLJC-WCQYABFASA-N 277.320 1.411 0 50 CDAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)CNC2CC2)C1 299745197 WMBXMTMCVVIIKV-HUUCEWRRSA-N 293.455 1.851 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)CCOc1ccccc1C 534669380 ZQJZNXLFVSUUPA-JSGCOSHPSA-N 279.336 1.294 0 50 CDAA Cc1ccnc(N2CCOC3(CCN(C)CC3)C2)n1 826772980 HXBCJIHRGSBZRQ-UHFFFAOYSA-N 262.357 1.086 0 50 CDAA O=S(=O)(C1CC1)N1CCCN(C2CCCCC2)CC1 828388774 FODBGDJLVIHRBT-UHFFFAOYSA-N 286.441 1.819 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)c1cccc(O)n1 584901153 KMXCFCPXQABLFF-JTQLQIEISA-N 260.297 1.192 0 50 CDAA CCc1noc([C@@H](C)NC(=O)CSc2ncccn2)n1 823569258 AELYRXPZPCUVFZ-MRVPVSSYSA-N 293.352 1.392 0 50 CDAA Cc1cc(C)n(CCc2ncnn2-c2cccnc2)n1 670457975 DOPQUOPSUUQJLU-UHFFFAOYSA-N 268.324 1.718 0 50 CDAA O=C1CCCN1CCCc1ncnn1-c1ccncc1 670474154 KFNNFZQLNKLQQV-UHFFFAOYSA-N 271.324 1.217 0 50 CDAA O=C(NCc1cc[nH]n1)c1ncoc1[C@H]1CCCO1 1339125929 FTCAYCUDKVUHNG-SECBINFHSA-N 262.269 1.179 0 50 CDAA Cc1cc(C(=O)N2CCN(c3ccncc3)CC2)nc(C)n1 680395897 POMBNTRGHGNKMW-UHFFFAOYSA-N 297.362 1.451 0 50 CDAA Oc1ccc([C@H]2CN(c3ncncc3Cl)CCN2)cc1 1412906679 RXUOZEWDQITXJC-CYBMUJFWSA-N 290.754 1.987 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)NCC1(C(F)(F)F)CC1)C2 1553482902 JHLVCVNDWNFZFZ-KWQFWETISA-N 277.290 1.462 0 50 CDAA Cn1ccnc1C(=O)NCC1(CN2CCCC2)CC1 952860690 RQGFCAFRXNDLJR-UHFFFAOYSA-N 262.357 1.026 0 50 CDAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)N1CCCC1 1551556947 CZDJGJXJGKLTCB-QWRGUYRKSA-N 277.290 1.334 0 50 CDAA CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(F)(F)C1=O 72194236 GFVJRPGBYSFNTN-LBPRGKRZSA-N 297.301 1.886 0 50 CDAA in-vitro C[C@H](CC(=O)O)NC(=O)c1ccnn1CC1CCC1 630130944 DIEBCVUBMQQHOU-SECBINFHSA-N 265.313 1.276 0 50 CDAA O[C@H]1CN(Cc2cscn2)CC[C@@H]1NC1CCCC1 1565511532 JMCFWBLUDPPYGQ-KBPBESRZSA-N 281.425 1.611 0 50 CDAA COCCCNC1(C(N)=O)C2CC3CC(C2)CC1C3 408520235 GQICQQSAJQCJMC-UHFFFAOYSA-N 266.385 1.293 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2cc(C)sn2)n[nH]1 278679620 UDZZKXHCKSZMKE-SSDOTTSWSA-N 264.354 1.844 0 50 CDAA O=C(OCCn1ccnc1)c1cccc(N2CCCC2=O)c1 170591128 PACMBDASIPPYNS-UHFFFAOYSA-N 299.330 1.867 0 50 CDAA CO[C@]1(C(=O)O)CCN(C(=O)c2ccc3c(c2)CCC3)C1 630250512 BDGMKFQCRIYLPY-MRXNPFEDSA-N 289.331 1.491 0 50 CDAA O=C(CCc1cnccn1)N1CCOC2(CCCCC2)C1 280277362 WDGKEUWGWZEPBF-UHFFFAOYSA-N 289.379 1.971 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2ccc(O)cn2)CC1 95616307 PSCCGROQUOHWRG-UHFFFAOYSA-N 279.340 1.844 0 50 CDAA in-vitro CN1CCN(C(=O)C[C@H]2C=CCC2)C[C@H]1c1nccn1C 276810621 WWVMTEXUSKZLBN-KBPBESRZSA-N 288.395 1.592 0 50 CDAA COc1cc(I)c(CO)cn1 97758756 GEVSUTNVOBLBQA-UHFFFAOYSA-N 265.050 1.187 0 50 CDAA in-vitro CC1CCC(O)(CN(C)CC2(O)CCOCC2)CC1 189777636 OVMDSNPRFACRSE-UHFFFAOYSA-N 271.401 1.401 0 50 CDAA O=C(NCC1=CCOCC1)N1CCOC[C@H](C2CCC2)C1 556762247 AAPQALJVYGHCPY-OAHLLOKOSA-N 294.395 1.791 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)Cc2c[nH]c3ncccc23)C1 191051797 LWGHKYRFAGKLGC-OAHLLOKOSA-N 287.319 1.429 0 50 CDAA c1cc(CN=c2[nH]ccn3cnnc23)c2c(c1)NCCC2 561267759 ICVMBLURUPEGBU-UHFFFAOYSA-N 280.335 1.516 0 50 CDAA O=C(c1cccc2c1OCCO2)N1CCO[C@@H](C(F)F)C1 194183362 FSQKWOWIZYUJJT-LLVKDONJSA-N 299.273 1.564 0 50 CDAA O=C(O)COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1 659758861 ZKQRZUZIVUUKAN-CHWSQXEVSA-N 293.319 1.183 0 50 CDAA CN(C)[S@@](C)(=O)=NC(=O)CSCc1ccco1 585118926 ISOWEYFRGPDSDU-KRWDZBQOSA-N 276.383 1.614 0 50 CDAA CN(C)[C@H]1CCN(C(=O)c2nc3ccc(O)cc3s2)C1 585118808 CMFFVBSMRPDNPI-VIFPVBQESA-N 291.376 1.778 0 50 CDAA CCCNC(=O)Cn1ccc(-c2ccccc2)nc1=O 585123072 TYWOGSLBRXZGAN-UHFFFAOYSA-N 271.320 1.437 0 50 CDAA Cc1ccc(CC(=O)N2C[C@@H](N)[C@H](c3ccnn3C)C2)cc1 1615589005 FMIFZWNGPGJSLV-HUUCEWRRSA-N 298.390 1.224 0 50 CDAA COc1ccc(CN2CC[C@@H](O)C[C@H]2C(=O)O)c(C)c1C 1616102995 DTEHJHYZMFFKAQ-KGLIPLIRSA-N 293.363 1.722 0 50 CDAA O=C(NCc1ccc2sccc2c1)[C@H]1CNCCOC1 1857684835 GJAMEAZTQFFTFP-ZDUSSCGKSA-N 290.388 1.754 0 50 CDAA O=C(NCCN1CCCC1=O)c1ccc(F)c(Cl)c1 220244687 RVFXPACTXRSYPM-UHFFFAOYSA-N 284.718 1.831 0 50 CDAA COCCCCCC(=O)N1CCNC(=O)C12CCCC2 1506399762 DSVOJNONLPADQY-UHFFFAOYSA-N 282.384 1.464 0 50 CDAA COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1 407444 HBWBVIDKBKOVEX-UHFFFAOYSA-N 272.260 1.717 0 50 CDAA in-vitro COCCN(C(=O)c1cccc2nn[nH]c12)C1CC1 225477590 ODAHKAKYCIRVTH-UHFFFAOYSA-N 260.297 1.209 0 50 CDAA CN(C)c1nc(N2Cc3ccccc3[C@H](O)C2)ncc1F 1772700218 HQHHNRLNPDBEIY-CYBMUJFWSA-N 288.326 1.735 0 50 CDAA COc1cc(OC)c(OC(C)=O)cc1/C=C/C(=O)O 6158940 FITVRXYDYCDCBT-SNAWJCMRSA-N 266.249 1.727 0 50 CDAA COc1ccc(CN2CCOCC2)c(OC)c1OC 19633128 MGVIMZSLIDSZKZ-UHFFFAOYSA-N 267.325 1.545 0 50 CDAA Cc1cc(C)c(B(O)OCC(C)(C)CO)c(C)c1 169746999 YTJXZQDGJOMSDD-UHFFFAOYSA-N 250.147 1.334 0 50 CDAA CC(C)n1cc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)cn1 1857669286 KYOVKQYRRJMRLO-DZGCQCFKSA-N 293.367 1.387 0 50 CDAA COc1ccc([C@@H]2NCCc3[nH]cnc32)c(OC)c1 197306 ZNMZDXUQXZXRCT-ZDUSSCGKSA-N 259.309 1.662 0 50 CDAA O=C(O)Cn1ccc(NC(=O)CCC2CCOCC2)n1 123081546 FAZIITKLMFOFNC-UHFFFAOYSA-N 281.312 1.113 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)no1 237593535 HMEROQVAAVAHHN-LLVKDONJSA-N 280.324 1.629 0 50 CDAA Cn1ncc2c(N3C[C@H]4C[C@@H](O)CC[C@H]4C3)ccnc21 334121269 LLWNDTGHLUIADZ-TUAOUCFPSA-N 272.352 1.566 0 50 CDAA C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc(C(N)=O)cc1 334671307 QRJSGRQHIJMDLI-GXFFZTMASA-N 276.336 1.019 0 50 CDAA CCc1nn(C)cc1CN1C[C@H](OC)C[C@H]1c1nc[nH]n1 583617603 JGPQMUDDICSEHP-YPMHNXCESA-N 290.371 1.063 0 50 CDAA Cc1cccc(F)c1S(=O)(=O)N(C)[C@@H](C)C(=O)O 262438519 PKBXLJMDYNVDRP-QMMMGPOBSA-N 275.301 1.228 0 50 CDAA CCOC[C@@H]1CN(Cc2cc[nH]n2)C[C@H]1c1cnn(C)c1 585655577 DAZVYSCERNZUPQ-ZFWWWQNUSA-N 289.383 1.395 0 50 CDAA Cc1cccc(C)c1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704336819 QNYFLSSESGMZFO-KGLIPLIRSA-N 274.364 1.250 0 50 CDAA Cn1c(O)nnc1-c1ccc(Br)cc1 1857529946 MLZBFCSWGVIMGI-UHFFFAOYSA-N 254.087 1.950 0 50 CDAA C[C@@H]1NC(=O)[C@@H](C)N(C(=O)NCc2ccccc2)[C@H]1C 864095449 LXFQKFVMPUIJNH-SDDRHHMPSA-N 275.352 1.494 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1 237369605 CELMSMDMGGSZNX-PWSUYJOCSA-N 272.352 1.762 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)oc1C 952851025 CFYUEQFXDMLFML-JTQLQIEISA-N 274.324 1.831 0 50 CDAA O=C(N[C@H](CO)Cc1ccccc1)[C@H]1NCC[C@@H]1C1CC1 1875288709 YIDDTTRJGHXBJZ-XHSDSOJGSA-N 288.391 1.094 0 50 CDAA O=C1CCCC[C@@H](C(=O)N2Cc3ccc(O)cc3C2)N1 1875268652 AXZVHBFCEXBPDM-ZDUSSCGKSA-N 274.320 1.293 0 50 CDAA CO[C@H](C)c1ncc(C(=O)N2CCCC[C@H]2CN)s1 1875270161 DKCVRWMHGGLAHO-ZJUUUORDSA-N 283.397 1.804 0 50 CDAA C=CC(=O)NC[C@@]1(C)CCCN1C(=O)c1cccnc1 1875375967 KWWPYWGJBYBBKZ-OAHLLOKOSA-N 273.336 1.379 0 50 CDAA N=c1ccc(C(=O)N2CCC(c3ccccc3)CC2)n[nH]1 1875311930 PDVYCUJBGAUZNC-UHFFFAOYSA-N 282.347 1.909 0 50 CDAA O=C(O)c1cnc(N2CCCC[C@H]2c2cncnc2)nc1 1875310263 KUKYVTQKWGWIAY-LBPRGKRZSA-N 285.307 1.696 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cnc2n1CCCCC2 889184856 FEZMOVPLCUEKDE-DGCLKSJQSA-N 293.367 1.143 0 50 CDAA Cc1cc([C@@H]2CCCN2c2nc(N)nc(C3CC3)n2)no1 891701620 CMVIRCWIRPNCQI-NSHDSACASA-N 286.339 1.969 0 50 CDAA CN(C[C@H](O)c1cccnc1)c1ncnc2c1CCC2 895934871 FGBLCAZEWGDBSY-AWEZNQCLSA-N 270.336 1.530 0 50 CDAA Cc1ncsc1[C@@H](N)C(=O)Nc1ccc(N(C)C)nc1 1775996867 LEVFRQBKLCMGNP-LLVKDONJSA-N 291.380 1.551 0 50 CDAA COc1ccc(-c2cn(CC3(C)COC3)nn2)cc1OC 899710549 CZWLRENVASBQQZ-UHFFFAOYSA-N 289.335 1.999 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)c2ccccc21 167131979 QOKGYYOYDGKUFZ-ZYHUDNBSSA-N 275.304 1.628 0 50 CDAA c1ccc(-c2noc(CN3CCSCC3)n2)nc1 39421166 MTKYRNMCCUPODI-UHFFFAOYSA-N 262.338 1.680 0 50 CDAA C[C@@H]1CCN(C(=O)c2ccn([C@H]3CCCNC3)n2)C1 275403830 BHQRZLIUIDGXCK-NEPJUHHUSA-N 262.357 1.290 0 50 CDAA Cn1ncc2c1ncn1c(-c3ccccc3)nnc21 206039 RWZHGTLWYXQZEM-UHFFFAOYSA-N 250.265 1.678 0 50 CDAA O=C(CCc1cncs1)N[C@H]1C[C@H](Cn2cncn2)C1 2325782334 PDCKMCUVYRZJGB-XYPYZODXSA-N 291.380 1.262 0 50 CDAA C[C@@]12CC[C@@](CN[C@@](C)(C(N)=O)c3ccccc3)(CO1)C2 2325809265 VYRIMXBZZNFHDA-GVDBMIGSSA-N 288.391 1.936 0 50 CDAA CC[C@H](C)C(=O)C(=O)N[C@@](C)(CC(C)C)C(N)=O 2325811357 RQAAYGQWXATKAL-ZANVPECISA-N 256.346 1.008 0 50 CDAA NC(=O)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 112387 VRJCWEVBSAQHFX-JTQLQIEISA-N 253.346 1.226 0 50 CDAA COc1ccccc1OCC(=O)NCc1ccccn1 213494 HGWPZBQLJMURMC-UHFFFAOYSA-N 272.304 1.785 0 50 CDAA CCCCNC(=O)CS(=O)(=O)c1ccc(C)cc1 2160068 NASQWIVWXREHIP-UHFFFAOYSA-N 269.366 1.685 0 50 CDAA COc1cc(OC)c(C(=O)Nc2cnccn2)cc1OC 6735491 USQJMCUVTGOYPH-UHFFFAOYSA-N 289.291 1.755 0 50 CDAA CCOc1ccc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1 8995888 YQATWVBMFVNQNN-GFCCVEGCSA-N 299.330 1.951 0 50 CDAA CSc1ccc(C(=O)NCC2([S@](C)=O)CCC2)cn1 225499775 BZJJYWVDMMYHNI-IBGZPJMESA-N 298.433 1.835 0 50 CDAA COC(=O)c1c(NC(=O)/C=C\C(=O)O)sc(C)c1C 100277964 DAJSWCOZFAGYFJ-PLNGDYQASA-N 283.305 1.731 0 50 CDAA O=C(NCc1ccncc1)c1c(O)[nH]c2ccccc2c1=O 9016046 AQPZLICMZKRPHF-UHFFFAOYSA-N 295.298 1.559 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccccc1 100651740 QCXUJIJIBRKJBL-FQUUOJAGSA-N 271.316 1.826 0 50 CDAA CC(C)[C@H](N)CCN(C)C(=O)C(=O)N[C@H](C)CC1CC1 419028494 DTYHDKFJKKAPAI-DGCLKSJQSA-N 283.416 1.123 0 50 CDAA CCN(CC)[C@@H]1C=CC[C@H]2[C@H]1S(=O)(=O)C2(C)C 105225020 QJCHNJSMOALMHZ-QJPTWQEYSA-N 257.399 1.849 0 50 CDAA Cn1ncc(Cl)c1C(=O)N1CCCC[C@@H]1C(=O)O 520255557 SIAVEHDUXALGLZ-MRVPVSSYSA-N 271.704 1.153 0 50 CDAA Cc1ncccc1CN1CC[C@@H](N2CCOCC2)[C@H]1C 352026896 IVJKUHFHEWWNTC-GDBMZVCRSA-N 275.396 1.685 0 50 CDAA COC(=O)c1c(N)c(S(=O)(=O)c2ccccc2)cn1C 67172471 YYVYITATCMOKFC-UHFFFAOYSA-N 294.332 1.227 0 50 CDAA CC[C@@H](C)C(=O)Nc1c(C)nn(CC(=O)O)c1C 65387294 ZKLCRGRLQFWYKM-SSDOTTSWSA-N 253.302 1.569 0 50 CDAA CCc1ncc(C(=O)N(C)[C@@H](C)c2ccon2)cn1 65387609 WWUBNCRMEWWAMU-VIFPVBQESA-N 260.297 1.860 0 50 CDAA C[C@H](N(C)C(=O)c1coc(S(N)(=O)=O)c1)C1(C)CC1 331965258 VNYJEWPINHQVJJ-QMMMGPOBSA-N 286.353 1.188 0 50 CDAA Cc1nnc2ccc(C(=O)N3CC[C@@]4(CCOC4)C3)cn12 328976133 BNTOOQBLOZWHNQ-OAHLLOKOSA-N 286.335 1.290 0 50 CDAA C[C@H](C1CCC1)N(C)C(=O)c1cn(C2CCOCC2)nn1 355528217 JCDQGHPHMJQBJG-LLVKDONJSA-N 292.383 1.890 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)nc(N)n1 216501756 QFUTUMUPZCXOCH-LLVKDONJSA-N 297.318 1.181 0 50 CDAA COCCn1cncc1CN1CCO[C@H](C(F)(F)F)C1 71752708 ZXNHAKLWBNYJCT-NSHDSACASA-N 293.289 1.293 0 50 CDAA CCc1nc(C)sc1CNC(=O)c1cccc(=O)[nH]1 219975944 AZMAKWNTTUFOOG-UHFFFAOYSA-N 277.349 1.632 0 50 CDAA CC(C)(C)OC(=O)N1CC([C@@H](O)C(F)(F)F)C1 218499331 SCVZPELRUYYZAH-SSDOTTSWSA-N 255.236 1.777 0 50 CDAA Cc1nnc(S)n1CCNC(=O)C1=CCCCCC1 131554062 HANNYHMFGVGXKL-UHFFFAOYSA-N 280.397 1.882 0 50 CDAA CNC(=O)CC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 363706404 NALYSENOTWETCM-CYBMUJFWSA-N 278.327 1.495 0 50 CDAA C[C@](O)(CC(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1)C1CC1 333335639 XAVJEPCZAVGTTF-UHXUCMFUSA-N 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0 50 CDAA CC(NCc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 5561746 IVWPADJAIJEADD-UHFFFAOYSA-N 287.319 1.101 0 50 CDAA CSCCC(=O)N1CC[C@@]2(CCCN(C)C2=O)C1 12297570 CZEWZCDKBBBNGQ-ZDUSSCGKSA-N 270.398 1.210 0 50 CDAA O=c1n(Cc2ccon2)c2ccccc2n1Cc1ccon1 12360385 OUZPCSZARFRKTD-UHFFFAOYSA-N 296.286 1.876 0 50 CDAA CC(C)=CCN1CCC[C@@H](Cn2cc(CCCO)nn2)C1 19145884 ZXPPVKFKJIVMHK-OAHLLOKOSA-N 292.427 1.881 0 50 CDAA O=C(Cc1nc2ccccc2o1)N[C@@H]1CCSC1 19226520 SBOKYGZKSHBPQL-SECBINFHSA-N 262.334 1.992 0 50 CDAA COCCn1c(CN2CCOCC2)nc2ccccc21 19939701 ZIEHOZAQVJKVLO-UHFFFAOYSA-N 275.352 1.515 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1nc2ccccc2[nH]1 1857686655 AZMFCISEGXLJRA-RYUDHWBXSA-N 284.363 1.758 0 50 CDAA O=C(Cn1ccc2ccccc21)N1C[C@H]2C[C@@]2(CO)C1 1857687157 PAOSBOMSQFZTKQ-CJNGLKHVSA-N 270.332 1.482 0 50 CDAA C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1nccc(=N)[nH]1 615726013 VOUAEIQOOVMVEC-JTQLQIEISA-N 282.347 1.869 0 50 CDAA O=C(CCCn1cncn1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 247797611 SMWIVSHDFHJKAF-QKGCVVFFSA-N 288.395 1.999 0 50 CDAA Cc1cc(Br)cnc1N1CCNCC1 19721258 VBWGQQQDJZLNHR-UHFFFAOYSA-N 256.147 1.562 0 50 CDAA in-vitro Cc1ccn(CCN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1 253478279 KEBCLEIKBLEAQX-OLZOCXBDSA-N 263.341 1.234 0 50 CDAA CN(CCN1CCOC1=O)c1noc(-c2ccccc2)n1 158039929 PZISRMHEDYRRDX-UHFFFAOYSA-N 288.307 1.625 0 50 CDAA CC[C@@H](C(=O)O)N1CCCN(C(=O)CC2CCCC2)CC1 262478139 XPRNNMPQVDZTIM-AWEZNQCLSA-N 296.411 1.964 0 50 CDAA Cc1noc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 378524972 WWQBKZJPHVGDIQ-NSHDSACASA-N 290.327 1.538 0 50 CDAA CC(C)n1ccc(CC(=O)N[C@H]2CC23CCOCC3)n1 821709994 DNELDGWWQQOPAJ-ZDUSSCGKSA-N 277.368 1.692 0 50 CDAA Cc1cnc(C(=O)N2CCn3cnnc3[C@H]2C)cc1C 935618378 JSLXBJVKBHNILA-LLVKDONJSA-N 271.324 1.507 0 50 CDAA O=C(Nc1nc2c(s1)CCC2)[C@H]1NCC12CCOCC2 852787702 VAFNJABVODQDEX-LLVKDONJSA-N 293.392 1.339 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccncc1F 864145096 INXJFFUIQNGGOE-LLVKDONJSA-N 296.298 1.078 0 50 CDAA CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2N)C1 236755341 KOYCFHLOCZCNMO-MCIONIFRSA-N 268.401 1.777 0 50 CDAA Cc1cc(N2C(=O)N[C@]3(CC[C@@H]4C[C@H]43)C2=O)sn1 1875291104 NTDLYPITVKNDLD-RWYTXXIDSA-N 263.322 1.676 0 50 CDAA C=CC(=O)N1CC(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)C1 1875387202 UBADOKBTHQXQBW-SNVBAGLBSA-N 298.346 1.385 0 50 CDAA O=C(NCc1cc(C2CC2)n[nH]1)c1cc(O)nc(C2CC2)n1 1875332996 UOCOIHZXEZXDAG-UHFFFAOYSA-N 299.334 1.590 0 50 CDAA Cc1noc2ncnc(N[C@H](CO)Cc3cncs3)c12 894965982 NWDRLNJVKMQLRY-QMMMGPOBSA-N 291.336 1.398 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccc[nH]3)CC2)O1 1775958227 LNOQADYAEOPKDY-QWHCGFSZSA-N 292.335 1.499 0 50 CDAA CCC[C@H](C)C(=O)NS(=O)(=O)Oc1ccccc1 1775996851 KRYBINSFFGZBHW-JTQLQIEISA-N 271.338 1.863 0 50 CDAA C=CC(=O)N[C@H](CC)C(=O)N(C)Cc1ccccc1F 1775998054 ZBLAOOUWCUATIM-CYBMUJFWSA-N 278.327 1.865 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2CNc2ccc(CO)cn2)cn1 1775959424 VZTZQYUJMQNDPL-DOMZBBRYSA-N 288.351 1.497 0 50 CDAA Cc1cccc(O[C@@H](C)C(=O)N2CCOCC2)c1C 13329658 GXCRLBUGQRBQOD-ZDUSSCGKSA-N 263.337 1.930 0 50 CDAA CC(C)OCCN1CCN(CCOC(C)C)CC1 67630398 VOKQPNQYUUUDFI-UHFFFAOYSA-N 258.406 1.454 0 50 CDAA CN(CCn1cc(Cl)cn1)Cc1cnccn1 252482234 DBEDQEYTFNAPNE-UHFFFAOYSA-N 251.721 1.459 0 50 CDAA C[C@@H](NC(=O)[C@H](N)CC1CCCCC1)c1cnn(C)c1 261827537 UKYIQNQIHNZSGT-BXUZGUMPSA-N 278.400 1.895 0 50 CDAA O=C(N[C@]1(CO)CCOC1)c1ccc(Cl)cc1F 182847366 NPYCQNKUBAGZOA-LBPRGKRZSA-N 273.691 1.360 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NC[C@H](CC2CC2)C(=O)O)CCO1 514868002 ZWSNVGLLVMVEPI-USWWRNFRSA-N 269.341 1.419 0 50 CDAA Cc1cc(F)cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1 534589017 CKLGVWGNJISOCS-GDNZZTSVSA-N 263.268 1.537 0 50 CDAA CCOC(=O)[C@]1(CC)C[C@](C)(c2csc(N)n2)OC1=O 345718 XITNPQXGYUKJRD-OLZOCXBDSA-N 298.364 1.847 0 50 CDAA CO[C@@H]1CN[C@H](CC(=O)N2CCCc3ccccc3C2)C1 2325849584 URAFNPABDXKLOC-HOTGVXAUSA-N 288.391 1.728 0 50 CDAA Cc1nc(O)cc(N2C[C@@H](O)C[C@H]2c2ccccc2)n1 894190410 OUJVKMFDLJRAQF-STQMWFEESA-N 271.320 1.803 0 50 CDAA C[C@H]1CCc2c(sc3ncn(CC(=O)O)c(=O)c23)C1 135918 KPNHGXNDSWMUAC-ZETCQYMHSA-N 278.333 1.667 0 50 CDAA OCc1nc2ccccc2n1C[C@H](O)COc1ccccc1 152011 HHUJDQDIOLNEJZ-ZDUSSCGKSA-N 298.342 1.969 0 50 CDAA O=S(=O)(N[C@H](CO)c1ccccc1)c1ccccc1 405623 YQUFKSRAKRZOFV-CQSZACIVSA-N 277.345 1.699 0 50 CDAA CCOc1ccccc1N1CCN(S(C)(=O)=O)CC1 484021 ZCEAGIGTTGNMTA-UHFFFAOYSA-N 284.381 1.167 0 50 CDAA O=C(O)c1ccc(CC(=O)c2ccc(O)cc2O)o1 557509 MPPULUFPODAELG-UHFFFAOYSA-N 262.217 1.814 0 50 CDAA CCn1nnc(NC(=O)c2ccc(OC(C)C)cc2)n1 578709 LOBDSSUJCWXCSZ-UHFFFAOYSA-N 275.312 1.733 0 50 CDAA CCNCCNC(=O)c1cc(Cl)c(N)cc1OC 2012717 RTQMQUZXBADBGJ-UHFFFAOYSA-N 271.748 1.270 0 50 CDAA in-vitro CCn1ccc(-c2nnc3n2[C@H](C)C(=O)N(C2CC2)C3)n1 2356136517 XXWVQXVEBLKIBD-SECBINFHSA-N 286.339 1.227 0 50 CDAA CCCN1Cc2nnc(-c3ccccn3)n2[C@H](C)C1=O 2356144496 AOGMUOOFSORRQG-SNVBAGLBSA-N 271.324 1.653 0 50 CDAA COc1ccc([C@@H](CC(=O)O)NC(=O)C(C)C)cc1 3121472 PQOOCDAOZXBBFI-GFCCVEGCSA-N 265.309 1.983 0 50 CDAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1nccs1)C2 101974415 UKCBUOHEZKFDPY-PJXYFTJBSA-N 251.399 1.915 0 50 CDAA COC(=O)[C@@H]1C(=O)CC(=O)C[C@@H]1c1cccs1 100096791 BGOFBJYATGXJII-KCJUWKMLSA-N 252.291 1.553 0 50 CDAA CC(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1 136470335 LUYFBXRVKQTFPP-ZDUSSCGKSA-N 275.304 1.969 0 50 CDAA Cn1nccc1CNC(=O)CCN1CCCCCCC1 55099669 HBYBGUXTFHNLEY-UHFFFAOYSA-N 278.400 1.693 0 50 CDAA O=C(NC[C@@H]1COc2ccccc2C1)N1CCOCC1 53909524 MJWNOEJSTPOPQU-GFCCVEGCSA-N 276.336 1.280 0 50 CDAA C[C@@H]1CCN(S(N)(=O)=O)[C@H]1c1cccc(F)c1 247821954 HAGVZCZEMSGBAR-LDYMZIIASA-N 258.318 1.412 0 50 CDAA Cc1c[nH]c(CN(C)C[C@]2(O)CCCN3CCCC[C@@H]32)n1 63834512 BOEAQNAHCTVZMB-GDBMZVCRSA-N 292.427 1.529 0 50 CDAA O=C(O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 64038134 MLAQWXTWHSFELI-UHFFFAOYSA-N 265.284 1.691 0 50 CDAA CCCn1ncc(C(=O)N2CC[C@@]3(CCCNC3)C2)c1C 67740219 ADXMOESCLQTITC-MRXNPFEDSA-N 290.411 1.817 0 50 CDAA CCn1ncnc1-c1nccn1Cc1ccc2c(c1)OCO2 67803297 YRFOTJSOCDQNOR-UHFFFAOYSA-N 297.318 1.939 0 50 CDAA O=C(N[C@H]1CNCC(F)(F)C1)OCc1ccccc1 110916098 YEBTXCZKAQRPMH-LLVKDONJSA-N 270.279 1.910 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)c1cn(CCCN)nn1 422902447 DESXFCHLKBQQAA-LLVKDONJSA-N 285.351 1.218 0 50 CDAA CC(C)(C)OC(=O)NCC(=O)N[C@H]1CCN2CCCC[C@@H]12 229694258 SKAHDULIFHLEOG-RYUDHWBXSA-N 297.399 1.254 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCCc2nnc(N)s2)n1 67819124 LVAOGPHVDIOSKA-VIFPVBQESA-N 280.401 1.154 0 50 CDAA CC(=O)NCCNc1cc(C)nc(-c2cccnc2)n1 65528482 BXIPNMWVNJQUCK-UHFFFAOYSA-N 271.324 1.395 0 50 CDAA COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 252516985 YORBZLJGNOPGMH-RNWYCLNJSA-N 282.336 1.542 0 50 CDAA COC(=O)c1ccn(CC(=O)Nc2ccccc2)n1 1429446 UVJYARTXSCCCMM-UHFFFAOYSA-N 259.265 1.308 0 50 CDAA C[C@@H](O)C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 328586905 BHGQWNRSRBEXSC-AMIZOPFISA-N 273.254 1.743 0 50 CDAA CN(C[C@@H](O)Cc1ccccc1)C[C@H]1CCc2nccn2C1 328653048 WSHLJZKGFROIKP-SJORKVTESA-N 299.418 1.981 0 50 CDAA Cc1oncc1C(=O)NC[C@@H](C)Oc1cccnc1 219124178 CEFWOFSMFQEOLM-SECBINFHSA-N 261.281 1.575 0 50 CDAA Cn1cnnc1CCC(=O)N[C@H]1CCCc2ccccc21 216017393 AAGJHSAKDLFMPF-AWEZNQCLSA-N 284.363 1.942 0 50 CDAA CNCC(=O)N(C)Cc1ccccc1C(F)(F)F 71765591 RIURKYDEYQEHRF-UHFFFAOYSA-N 260.259 1.883 0 50 CDAA C[C@@H]1CCN(C(=O)C2(O)CCCCC2)C[C@H]1n1ccnc1 124546406 LSQOGGIVFVDHKX-ZIAGYGMSSA-N 291.395 1.988 0 50 CDAA CCOCCNC(=O)CSc1cccc(OC)c1 121055365 WCPQAHQQFHZAJV-UHFFFAOYSA-N 269.366 1.940 0 50 CDAA O=C(CC1=CCCCC1)NC1(C(=O)O)CCOCC1 127432077 VIOKLFUTRZHOND-UHFFFAOYSA-N 267.325 1.627 0 50 CDAA COc1cnc(NC(=O)N[C@@H]2CCO[C@H]2C2CC2)nc1 333241049 ZTFPPHGZXPXLLG-MNOVXSKESA-N 278.312 1.174 0 50 CDAA CN(Cc1cnn(C)c1)C(=O)[C@H]1COc2ccccc2C1 73471082 NBUKBWMZUWANTC-CQSZACIVSA-N 285.347 1.630 0 50 CDAA Cc1ncc(C(=O)N2CC[C@@](O)(C3CC3)C2)c(C2CC2)n1 367198876 GWENXLWCKJZKLP-INIZCTEOSA-N 287.363 1.649 0 50 CDAA O=C(CN1CCC2(CCOCC2)CC1)Nc1nncs1 367452726 VWGYLDBLCMOERJ-UHFFFAOYSA-N 296.396 1.369 0 50 CDAA O=C(c1ccncc1)N1CCNC[C@@H]1c1cccnc1 261650440 GIMJZRMSQIJQOM-CQSZACIVSA-N 268.320 1.263 0 50 CDAA Cc1nc(CNC(=O)c2n[nH]c(N)c2Cl)sc1C 219298468 DLCQXUVIPXOVDT-UHFFFAOYSA-N 285.760 1.649 0 50 CDAA O=C1NCCCC[C@@H]1n1cnc2sccc2c1=O 32561838 PHPUQFJXEUYPLQ-VIFPVBQESA-N 263.322 1.299 0 50 CDAA CN(C)CC[C@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1 71775793 UMVAPDGDXYQEQL-LBPRGKRZSA-N 297.786 1.528 0 50 CDAA NC(=O)c1ccnc(-c2ccc(OCC(=O)O)cc2)c1 216350697 RRQOVQHHENYTSO-UHFFFAOYSA-N 272.260 1.311 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)CSc1ccccc1 72168011 BJFKPLFPMOGGSH-LLVKDONJSA-N 295.360 1.481 0 50 CDAA Cc1cc(N2CCN(CCC(N)=O)CC2)c2ccccc2n1 32592878 FZNUVTLYYWBJIA-UHFFFAOYSA-N 298.390 1.541 0 50 CDAA Cc1ccc(CC(=O)N[C@H]2CCN(C)C2=O)c(Cl)c1 336362424 UXMADJRRVBIOBT-LBPRGKRZSA-N 280.755 1.538 0 50 CDAA CCN1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1 72168896 RITDXOOJABUKJY-UHFFFAOYSA-N 289.383 1.132 0 50 CDAA CCCCc1cn(CC2CCN(C(C)=O)CC2)nn1 48246280 MKZGTSWWUKPAKZ-UHFFFAOYSA-N 264.373 1.879 0 50 CDAA CCCNC(=O)CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 131145565 VEKKRQQZNFXTKG-XJKSGUPXSA-N 290.363 1.067 0 50 CDAA O[C@@]1(c2c[nH]nn2)CCN(c2nc3ccccc3o2)C1 284443629 FWIPCGNRGDREAW-ZDUSSCGKSA-N 271.280 1.044 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1c1ncc(Cl)cc1F 284544394 KYYRTCIMMIJEFW-SVRRBLITSA-N 261.659 1.276 0 50 CDAA CN1CCN(c2nc(N(C)C)c3ccccc3n2)CC1 41147118 LLJLXJLTSGRUJC-UHFFFAOYSA-N 271.368 1.448 0 50 CDAA CCOC(=O)Cn1c(=N)sc2cc(OC)c(OC)cc21 225394524 ODWWMBZWCCZVBM-UHFFFAOYSA-N 296.348 1.763 0 50 CDAA C[C@@](O)(CNc1cc(Br)ccn1)C(=O)O 263550656 KONRKCBCGQQSSY-SECBINFHSA-N 275.102 1.092 0 50 CDAA CC(C)CN1CCN(C(=O)c2ccc(O)cn2)[C@H](C)C1=O 223151921 JDXAKECCKVSWKR-LLVKDONJSA-N 291.351 1.116 0 50 CDAA CCO[C@H]1CN(Cc2cc3c(cc2OC)CCC3)C[C@@H]1O 220098158 MZSFAMFLMAFUIF-RDJZCZTQSA-N 291.391 1.766 0 50 CDAA CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 226627421 PGTZBVJFJKAZSJ-VWPFQQQWSA-N 297.310 1.722 0 50 CDAA Nc1nc(NCCOc2ccccc2)cc(C2CC(N)C2)n1 223139965 VNYQVJQWZFPXLO-UHFFFAOYSA-N 299.378 1.754 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2cnc(OC)nc2)C1 426531876 WENHATRSVDNBGM-NSHDSACASA-N 279.340 1.374 0 50 CDAA C[C@@H]1C[C@@H](N2CCO[C@@H](c3nccs3)C2)C(=O)O1 222212403 YRCHTDFMQKCPQP-OPRDCNLKSA-N 268.338 1.220 0 50 CDAA O=C(Nc1nccs1)N[C@@H]1CCN2CCCC[C@@H]12 229192304 BAOVAWBXCGDGGU-ZJUUUORDSA-N 266.370 1.891 0 50 CDAA CC(=O)c1cccc(OCC(=O)N2CCn3cncc3C2)c1 290930023 MFBKWDBURQJTFF-UHFFFAOYSA-N 299.330 1.507 0 50 CDAA C[C@@H](C(=O)N(C)Cc1cnc2ccccc2n1)N(C)C 426486006 FKVXJGBVQNFHJV-NSHDSACASA-N 272.352 1.538 0 50 CDAA Nc1nc(NCc2ccc(O)cc2)cc(C2CC(O)C2)n1 220495285 AQWSNPNZLCDFJN-UHFFFAOYSA-N 286.335 1.615 0 50 CDAA CC(C)C[C@H](CC(=O)O)NC(=O)c1[nH][nH]c(=N)c1Cl 426406011 BKRYUBCACBBAIO-ZCFIWIBFSA-N 288.735 1.095 0 50 CDAA C[C@@H](C1CCN(c2cccc(C(=O)O)n2)CC1)N(C)C 96135676 WBNYTQOSOBDERO-NSHDSACASA-N 277.368 1.946 0 50 CDAA COc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1F 91563157 PCWBRSUNUFWPHB-OQPBUACISA-N 267.304 1.222 0 50 CDAA Cc1nc(N(C)C)ncc1C(=O)NCCn1cccc1 95387725 KXYHFLIOKMQIQC-UHFFFAOYSA-N 273.340 1.083 0 50 CDAA CN1CCCN(CCCn2cccn2)CC12CCNCC2 97495132 ASQGTYOOLPOKMU-UHFFFAOYSA-N 291.443 1.033 0 50 CDAA O=C(O)c1ccc(C(=O)NN2CCCCC2=O)cc1 238051047 IBHIPVISTOZQMQ-UHFFFAOYSA-N 262.265 1.042 0 50 CDAA Cc1cc(C)n(CCCN2CC(C)(C)[C@@](C)(O)C2)n1 91807112 UPZMYGLNXFHJKF-HNNXBMFYSA-N 265.401 1.983 0 50 CDAA COc1ccc(-n2ncnc2Cn2ccccc2=O)cc1 91635851 UHYBHPIKJZPQQT-UHFFFAOYSA-N 282.303 1.486 0 50 CDAA Cc1n[nH]c([C@@H]2CCCN2CCc2ccccn2)n1 244673833 HWJXZUVQWXVQEX-ZDUSSCGKSA-N 257.341 1.888 0 50 CDAA CCN(CCn1ccc(C)n1)C[C@@H](O)c1cccc(O)c1 244741954 NZOOSHJZYTVAAM-MRXNPFEDSA-N 289.379 1.953 0 50 CDAA CCC[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)CCO1 182850710 VQVKFKIGNXCKNL-KGLIPLIRSA-N 262.353 1.714 0 50 CDAA O=S(=O)(c1cccc(Br)c1)C1CNC1 258710484 XFLZVXLUKYVWHQ-UHFFFAOYSA-N 276.155 1.195 0 50 CDAA CCn1ncc(CNC(=O)N2CC[C@H](N(C)C)C2)c1C 534658889 JHYBRVUGRWOGLP-ZDUSSCGKSA-N 279.388 1.057 0 50 CDAA CCC[C@H](C(=O)NCCc1cc[nH]n1)n1cccc1 534588831 YGWCQVSALDCXJY-CYBMUJFWSA-N 260.341 1.911 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)CCC(F)(F)F 534670150 OYLHKJSNTKXGJW-YUMQZZPRSA-N 255.236 1.249 0 50 CDAA CCN1CCC(CNc2nccc(NC)n2)(N(C)C)CC1 534578952 OAUKOUADVHSNNT-UHFFFAOYSA-N 292.431 1.346 0 50 CDAA C[C@H](CCC(=O)NCc1cscn1)N1CCN(C)CC1 534581095 HBDAYBKWYYYLFS-GFCCVEGCSA-N 296.440 1.175 0 50 CDAA C[C@H](CN1CCCCC1)C(=O)NCc1cccnc1N 534645985 UFEIMASJUWXZHS-GFCCVEGCSA-N 276.384 1.402 0 50 CDAA CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@H]1C=CCN1 534655257 JIMKMAKFFUITGH-CQSZACIVSA-N 283.331 1.828 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](C)C2)cc1F 271225628 HCKMGMIGTOCXMV-QWRGUYRKSA-N 287.356 1.980 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](c1ncnn1C)C(C)C 299799070 XCLASZJJAMZOLT-CYBMUJFWSA-N 290.371 1.211 0 50 CDAA CNc1nc(NC[C@H](C)CO)ncc1Br 131761594 VRGACDBELPCJRL-LURJTMIESA-N 275.150 1.321 0 50 CDAA COc1ncc(CN(CCO)C2CCCCC2)cn1 828757281 FFQJWMIAJNXUHI-UHFFFAOYSA-N 265.357 1.612 0 50 CDAA CO[C@H]1COC[C@@H]1n1cnc2c(Cl)cccc2c1=O 584900091 HLQKWPVCEXHWEI-QWRGUYRKSA-N 280.711 1.636 0 50 CDAA CCOCC(=O)Nc1cccc(-c2nncn2C)c1C 823316650 GMHKJNRPXHLQJO-UHFFFAOYSA-N 274.324 1.766 0 50 CDAA Cc1nc(CN2CCOC[C@H](CN(C)C)C2)n(C)c1C 670441055 IKSZUGMYKCTNJA-CQSZACIVSA-N 280.416 1.047 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)CCC(=O)N1CCCCCC1 670452434 FNFWZERRLMUBCJ-AWEZNQCLSA-N 296.411 1.664 0 50 CDAA CCc1nnc(CN(C)S(=O)(=O)CC(C)C)o1 670461348 HHOWGKNNFMXYIJ-UHFFFAOYSA-N 261.347 1.050 0 50 CDAA C=CC(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 1346082503 YSPJREMPJDMUKH-UHFFFAOYSA-N 294.314 1.669 0 50 CDAA Cc1ccnc(-n2ncnc2[C@H]2CC[C@@H](O)CC2)c1 952869216 YNXBMFOSGLXFRW-TXEJJXNPSA-N 258.325 1.989 0 50 CDAA COc1cc(CNCCN2CCCC[C@@H]2CO)ccc1F 952988763 PDGPHAZABRZTOU-CQSZACIVSA-N 296.386 1.771 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CC[C@@](C)(C(=O)O)C2)s1 268939887 DSXAWSHNNMXPHL-ITDFMYJTSA-N 280.349 1.788 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)O)C[C@@H](c2ccccc2)O1 268927411 WOHDFJFUBALOTB-ZRJCITRHSA-N 289.331 1.696 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)O)cn2)C12CCC2 634807128 ZAQLWLGEDONPNF-NWDGAFQWSA-N 290.319 1.467 0 50 CDAA CO[C@H](C(=O)NC1(C(=O)O)CCC1)c1ccccc1 164842745 FUIWPCCBUQRCPV-NSHDSACASA-N 263.293 1.498 0 50 CDAA CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 270968997 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O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC1CCCCCC1 225686315 HYCFRKTXICJVPV-NDBYEHHHSA-N 279.336 1.480 0 50 CDAA CCOCCc1nnc(NC(=O)Cc2cccnc2)s1 1529110789 OZRFNNWNBVXQQI-UHFFFAOYSA-N 292.364 1.693 0 50 CDAA N[C@H]1C[C@@H](O)CN(c2nc3ccc(Cl)cc3s2)C1 1857677880 PLUHFGUVVBCLAI-DTWKUNHWSA-N 283.784 1.848 0 50 CDAA O=C1CCOC2(CCN(C[C@H]3CC=CCC3)CC2)CN1 1857716646 CSUYFSLQTUMPLK-AWEZNQCLSA-N 278.396 1.714 0 50 CDAA COc1nc(NCc2noc(CC(C)C)n2)ncc1F 1704314152 QJMQJSYGCWXANF-UHFFFAOYSA-N 281.291 1.818 0 50 CDAA CCOC(=O)[C@H]1CNCC[C@H]1NC(=O)OC(C)(C)C 261215684 JEBCWKBYGDSWFR-VHSXEESVSA-N 272.345 1.052 0 50 CDAA CCCCNC(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 230057676 BBVHHJFTMLZPAY-AVGNSLFASA-N 282.384 1.620 0 50 CDAA O=C(O)CC[C@]12CNC[C@@H]1CN(Cc1ccsc1)C2 1772700512 FXJQHCWEJKENTJ-TZMCWYRMSA-N 280.393 1.634 0 50 CDAA CN(CC[C@H]1COCCO1)Cc1n[nH]c2c1CCCC2 1775979782 PDQQHQFZIBGEKO-LBPRGKRZSA-N 279.384 1.526 0 50 CDAA COCCC(=O)N1CCO[C@@H](Cc2cccc(OC)c2)C1 12431300 TXLALMLKJNPPPV-HNNXBMFYSA-N 293.363 1.502 0 50 CDAA CN(C)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O 12437453 UAHPLFAFJDBOCK-HNNXBMFYSA-N 268.401 1.482 0 50 CDAA O=C1c2c(O)cc(O)cc2O[C@H](c2ccccc2)[C@H]1O 14806381 SUYJZKRQHBQNCA-LSDHHAIUSA-N 272.256 1.775 0 50 CDAA biogenic,in-vitro NC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 16648129 QUPQKQZKXIKXCO-LURJTMIESA-N 256.664 1.317 0 50 CDAA O[C@]1(c2ccccc2)CCN(CCCCn2cncn2)C1 19608011 ZXTCKJLQYBOQIJ-MRXNPFEDSA-N 286.379 1.652 0 50 CDAA Cc1nc2n(n1)CCN(c1ncc(Cl)cn1)C2 267376376 KUPCXAQJVXZZIJ-UHFFFAOYSA-N 250.693 1.050 0 50 CDAA C[C@H]1CN2C[C@@H](NC(=O)c3ccncc3Cl)C[C@H]2CO1 1857727388 QIAADZDAQBEYFL-DCAQKATOSA-N 295.770 1.326 0 50 CDAA O=C(O)[C@@H](NC(=O)[C@H]1CCCO1)c1cc(F)ccc1F 739369931 VDZSJJINADEAMD-MNOVXSKESA-N 285.246 1.386 0 50 CDAA O=C(Nc1cnn(C[C@@H]2CCCO2)c1)[C@H]1CCOC1 119632884 SUHYWWULRWVROF-JQWIXIFHSA-N 265.313 1.037 0 50 CDAA Cc1cc(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)no1 237723544 HEJWMGZFYAIULC-DRZSPHRISA-N 292.335 1.770 0 50 CDAA CC(=O)NCC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 241846656 SMPNCPAIRLJZSM-TZMCWYRMSA-N 278.327 1.714 0 50 CDAA COCCOc1cccc(C(=O)N[C@@H](CO)CC(C)C)c1 131867769 VWLZPASBQYVEAB-CQSZACIVSA-N 295.379 1.849 0 50 CDAA CCc1c(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cnn1C 674519714 ROPJSPNYMYPQRQ-JTQLQIEISA-N 292.383 1.112 0 50 CDAA CSC[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1CO 252582031 ZESVIPQKNZTVJJ-DCAQKATOSA-N 260.403 1.588 0 50 CDAA C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCCc2ccccn2)C1 585085857 HCOMLFWZNRQLIJ-BXUZGUMPSA-N 284.363 1.830 0 50 CDAA C[C@@H]1CN(Cc2cncc(Cl)c2Cl)CC(=O)N1 1238007499 KSDUMDIWYIJRHD-SSDOTTSWSA-N 274.151 1.709 0 50 CDAA O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@@H]1CCCS1 266490016 WYVSWYMHLZRDAJ-JTQLQIEISA-N 291.332 1.864 0 50 CDAA Nc1ncnc2c1ncn2CCC(=O)Nc1cccc(O)c1 1135389230 OMELUBKIKUEQKT-UHFFFAOYSA-N 298.306 1.143 0 50 CDAA C[C@@H]1CCn2cc(C(=O)N3CC[C@@](C)(C(=O)O)C3)nc2C1 864097536 YSQKLLPAUBGIBM-MEBBXXQBSA-N 291.351 1.402 0 50 CDAA CCC1CCC(CNC(=O)[C@]2(N)CC[C@@H](O)C2)CC1 952884281 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C[C@H]1C(NC(=O)Nc2ccc3c(c2)NC(=O)C3)[C@@H]1C 1875315782 HLHCZQJQXUOGPA-HTQZYQBOSA-N 259.309 1.957 0 50 CDAA C[C@H]1CCC[C@@H](NC(=O)Nc2cn(C)nc2C(N)=O)C1 888095805 WHVAGRVMHVHZJP-DTWKUNHWSA-N 279.344 1.219 0 50 CDAA Cc1ncc(CNC(=O)c2ccccc2CCC(=O)O)o1 1771921658 VEJSQLWRLONVEA-UHFFFAOYSA-N 288.303 1.930 0 50 CDAA CC(C)(CS(C)(=O)=O)NCc1nccc2c1CCCC2 893601096 YPYCXSHOBZYZGF-UHFFFAOYSA-N 296.436 1.873 0 50 CDAA CNS(=O)(=O)c1ccc(CCNc2nccs2)cc1 895019504 BRYRRTZFPIOPIE-UHFFFAOYSA-N 297.405 1.706 0 50 CDAA Cc1noc2ncnc(N3CCC[C@@H](n4ccnn4)CC3)c12 895105101 OHNSBOLWHYZCSM-LLVKDONJSA-N 299.338 1.749 0 50 CDAA CCN1CCC[C@H]1CN(C)CCn1nc(C)cc1C 252486474 HLPULYVMDMKBMK-HNNXBMFYSA-N 264.417 1.916 0 50 CDAA CN1CCCN(C[C@@H](O)c2ccc(Cl)cc2)CC1=O 252537414 LCIRGNVSISUXPW-CYBMUJFWSA-N 282.771 1.538 0 50 CDAA CCc1ccnc(C(=O)N[C@@H]2CCC[C@@H]2CCO)c1 189104243 VYBUGGGOXDEFEC-CHWSQXEVSA-N 262.353 1.925 0 50 CDAA C[C@H](O)CCCN[C@H]1CCCC[C@H]1S(C)(=O)=O 331166241 BGCOPQSAOAZNBG-SDDRHHMPSA-N 263.403 1.093 0 50 CDAA Cc1scc(C(=O)NC[C@@H]2CNCCO2)c1C 335072430 ZAENKIJMECJYJQ-JTQLQIEISA-N 254.355 1.083 0 50 CDAA O=C(Cc1cccc(F)c1F)N1C[C@@H](O)[C@H](F)C1 952989938 ZEBLVZIVTZYHFK-NXEZZACHSA-N 259.227 1.049 0 50 CDAA CCOC(=O)c1cnc(-c2ccccc2)nc1NCCO 3141616 ANHZRIDTINLWET-UHFFFAOYSA-N 287.319 1.725 0 50 CDAA CN(C[C@H]1Cc2ccccc2O1)c1ncc2c(ncn2C)n1 2100543348 QGXKWBHHLTUVCN-GFCCVEGCSA-N 295.346 1.803 0 50 CDAA COc1ccc(C=CC=C2NC(=S)NC2=O)cc1 2053528683 YICHONBJSXGNDV-UHFFFAOYSA-N 260.318 1.597 0 50 CDAA Cc1ncc(-c2noc([C@]3(F)CCO[C@H]3C)n2)c(=N)[nH]1 2325774276 AAXWJNYUWXIJLK-QTTZVWFDSA-N 279.275 1.221 0 50 CDAA COC(=O)c1nn(C)c2c1CCN(Cc1nccs1)C2 2325792277 SBXCXGZDLQBNOL-UHFFFAOYSA-N 292.364 1.222 0 50 CDAA Cc1c[nH]c(C(=O)N[C@@](C)(C(=O)O)C2CCC2)c1 2325817094 FJLUGEQEWFTKHM-CYBMUJFWSA-N 250.298 1.696 0 50 CDAA Cc1cn(C[C@H](O)Cc2cccc(Cl)c2)nn1 899901285 HTMROZWXGAVWFA-GFCCVEGCSA-N 251.717 1.844 0 50 CDAA Cc1ccc2c(c1)nc(CNC[C@](C)(O)C(F)F)n2C 905213168 BTPKYHMPEAEIAA-AWEZNQCLSA-N 283.322 1.987 0 50 CDAA 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CCOC(=O)c1cn2c(ccc3c(C)cc(=O)[nH]c32)n1 45068343 BORUCHVHIONUMP-UHFFFAOYSA-N 271.276 1.661 0 50 CDAA O=C(Cc1cscn1)N1CCOC[C@@H]1C1CCC1 616480231 ZBXMHWHKXGHRNU-GFCCVEGCSA-N 266.366 1.713 0 50 CDAA c1nc(N2CCCCC2)ncc1CN1CC[C@H]2CNC[C@H]21 426705539 BXDMKLSMMHYZRU-LSDHHAIUSA-N 287.411 1.261 0 50 CDAA COc1ccc(CC(=O)N(C)[C@H]2CCNC2)cc1F 179047251 YJUFZMFCIGIOCC-NSHDSACASA-N 266.316 1.197 0 50 CDAA O=C(NCCc1nccs1)[C@@H](O)c1cccc(F)c1 221358922 RELTUGOQESZOTC-LBPRGKRZSA-N 280.324 1.675 0 50 CDAA COCCC(=O)N[C@H](C(=O)O)c1cccc(C)c1 41308174 XQKCJEJITLGVLK-LBPRGKRZSA-N 251.282 1.273 0 50 CDAA COc1ccc(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)cn1 426530861 OZXQHDRWMOMBKP-OAHLLOKOSA-N 298.342 1.964 0 50 CDAA CC(C)[C@@H](CC(=O)O)NC(=O)Cc1ccncc1 136183816 PJQNOMSKSTXRQD-LLVKDONJSA-N 250.298 1.240 0 50 CDAA CCN(CC)CCN=c1cc([C@@H]2CCOC2)nc[nH]1 426523752 XOXHEWISTOWSLK-GFCCVEGCSA-N 264.373 1.156 0 50 CDAA Cc1cc(=O)cc(C(=O)NCCCc2ncc[nH]2)o1 223599463 VHQHZQQRJFSLJW-UHFFFAOYSA-N 261.281 1.034 0 50 CDAA CCN(C(=O)[C@@H](C)NC(=O)C1CCCC1)[C@@H]1CCN(C)C1 617557603 OZDMMQXMFBKZLJ-TZMCWYRMSA-N 295.427 1.234 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2cccnc2S)n[nH]1 161999154 TYRIMZYNEWULBG-MRVPVSSYSA-N 276.365 1.763 0 50 CDAA CCN1CCC(CC(=O)NCc2nc(C)cc(C)n2)CC1 95379435 GVAYPCFIICFWIP-UHFFFAOYSA-N 290.411 1.832 0 50 CDAA CC(C)c1cc(CN(C)C(=O)CN2CCOC2=O)on1 95522915 NQPAPMWLBCYTSF-UHFFFAOYSA-N 281.312 1.209 0 50 CDAA CC[C@@H](NC(=O)c1ccccc1C(=O)O)c1cnn(C)c1 426615439 KIHUPLUVUKKGBD-CYBMUJFWSA-N 287.319 1.999 0 50 CDAA Cn1ccnc1CN1CC[C@H](Cc2cccc(CO)c2)C1 91624778 VEBSNVKUAGULII-OAHLLOKOSA-N 285.391 1.977 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1 91986229 RHBYPXZRTYRRQP-YPMHNXCESA-N 298.383 1.492 0 50 CDAA Cc1cccc(=O)n1CCCn1cc([C@H]2CCOC2)nn1 91847384 SIGTWKMLBLFHEC-ZDUSSCGKSA-N 288.351 1.342 0 50 CDAA Cc1cc(C)c(-c2nc(-c3cccnn3)no2)c(=O)[nH]1 91616649 LUESTOVSNFCQIK-UHFFFAOYSA-N 269.264 1.499 0 50 CDAA CCC[C@@H]1C=CCN1C(=O)c1[nH]nc2c1CN(C)CC2 97634971 VVCPMRICRWKJRD-LLVKDONJSA-N 274.368 1.578 0 50 CDAA Cc1cnc(N2CCN(C[C@H]3CCCN(C)C3)CC2)nc1 95357009 UXXDDNGXXXOFGC-HNNXBMFYSA-N 289.427 1.249 0 50 CDAA C[C@H](N[C@H](C)Cc1ccc(O)cc1)c1ncn(C)n1 294588671 HGQLLMCZRDDJNT-MNOVXSKESA-N 260.341 1.803 0 50 CDAA Cc1nnc(NC[C@H]2CC(=O)N(C)c3ccccc32)o1 95382462 TVEGVJVTDPSBAZ-SNVBAGLBSA-N 272.308 1.940 0 50 CDAA N[C@H]1C[C@H](c2cc(NC[C@@H]3CCCN3)nc(C3CC3)n2)C1 244691816 JJUBKFFVVQVAQR-AVGNSLFASA-N 287.411 1.723 0 50 CDAA CCc1nc2ccccc2n1CCC(=O)N1CCOCC1 244858437 VLBHUZFQFLGGNR-UHFFFAOYSA-N 287.363 1.848 0 50 CDAA COc1ccc(OCCCN(C)[C@H]2COC[C@@H]2O)cc1 244719127 LXLVRFYXTUVVSO-GJZGRUSLSA-N 281.352 1.156 0 50 CDAA Cc1nccc(N2CCC(CN3CCN(C)CC3)CC2)n1 266449627 XDMUPWJWYHTTBO-UHFFFAOYSA-N 289.427 1.249 0 50 CDAA COc1ccc(CCNC(=S)NC2CC2)cc1 613248 AMHBEVGRHUKAEW-UHFFFAOYSA-N 250.367 1.864 0 50 CDAA Cc1nc2c(C(=O)N3CC[C@](C)(O)C3)cccc2o1 280473759 UHPWFEKCIGRXNT-AWEZNQCLSA-N 260.293 1.733 0 50 CDAA Cc1nnc(CNC(=O)c2c3c(nn2C)CCCC3)s1 299758832 QKFDBWIYBRLILS-UHFFFAOYSA-N 291.380 1.389 0 50 CDAA O=C(NC[C@H]1CCCN(C2CCCC2)C1)c1cncnc1 299779770 QJNQUSXFZSNLHV-CYBMUJFWSA-N 288.395 1.861 0 50 CDAA O=C(NCc1nc(C2CCCCC2)no1)[C@H]1CCOC1 299768002 DWEOUEKBRQQYMT-NSHDSACASA-N 279.340 1.770 0 50 CDAA CC[C@H](NC(=O)c1cccnc1C)c1ncnn1CC 299763908 HIAAFAADWUWJAC-LBPRGKRZSA-N 273.340 1.883 0 50 CDAA NC(=O)Cc1nc([C@H]2CC=CCC2)n(-c2ccncc2)n1 826842233 OFRBPYNKKWRVRI-NSHDSACASA-N 283.335 1.514 0 50 CDAA CC(C)Cc1nsc(N2CCC[C@](N)(CO)C2)n1 900374376 JUMGHHWBFZFHOY-GFCCVEGCSA-N 270.402 1.027 0 50 CDAA COc1nc(=NC[C@@H]2CCN(C3CCCC3)C2)[nH]cc1F 584902292 MDSDRDBUTCQXCF-NSHDSACASA-N 294.374 1.723 0 50 CDAA CN(Cc1ccccc1C(=O)O)CC1(CO)CCC1 670466581 DSOZNBQPSJPEOQ-UHFFFAOYSA-N 263.337 1.979 0 50 CDAA CCOc1ccnc(N(C)CCCN2CCOCC2)n1 670446579 BOFKUXOBZFHWJJ-UHFFFAOYSA-N 280.372 1.034 0 50 CDAA Cn1cc(Cl)cc1C(=O)N1CCC2(CC1)CNC(=O)O2 670473783 XXUVFYAQRKEJED-UHFFFAOYSA-N 297.742 1.393 0 50 CDAA Cc1csc(N2CCN([C@H]3CCOC3=O)C[C@@H]2C)n1 241316661 LTWOQVHZIYWHHJ-QWRGUYRKSA-N 281.381 1.278 0 50 CDAA Cc1cnc2c(C)cccc2c1N1C[C@H](O)[C@@H](O)C1 408391903 FXIUFEGCFFLYAM-STQMWFEESA-N 258.321 1.393 0 50 CDAA Cc1cc(C)n(CCC(=O)N[C@@H]2CCN3CCCC[C@@H]23)n1 222034719 VLKVGEYKTIZUIV-CABCVRRESA-N 290.411 1.633 0 50 CDAA COC(=O)CN(C(=O)c1ccc(O)cc1F)C1CC1 280017106 NCRXHTIQQFQMOL-UHFFFAOYSA-N 267.256 1.309 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)c1cncc(F)c1 165178240 DWFFHMWONMZSIF-LLVKDONJSA-N 266.272 1.690 0 50 CDAA CCc1cc(NC[C@@H](C)CN2CCOCC2)nc(C)n1 272805127 BHIIYXIIRXFWIM-GFCCVEGCSA-N 278.400 1.728 0 50 CDAA CCO[C@@H]1C[C@@H](N(C)S(N)(=O)=O)C12CCCCC2 169998687 UPHYDASEEPLCAW-GHMZBOCLSA-N 276.402 1.250 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)CN1C[C@H](C)Cc1ccccc1 170084906 KKEDREBDTMFYQW-SNPRPXQTSA-N 277.364 1.473 0 50 CDAA CCOC(=O)c1cnc2c(Br)cnn2c1 95629946 JXEWHTHFTOYWHN-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA in-vitro O=C(CCc1ccsc1)NC[C@@H]1CCCNC1 170048131 CBUKLBPPPHQWSO-GFCCVEGCSA-N 252.383 1.797 0 50 CDAA Nc1ccc2c(N[C@@H]3CCCC[C@H]3O)ncnc2n1 301789164 QOKOYFKYNUGGLD-NXEZZACHSA-N 259.313 1.322 0 50 CDAA Cc1nn(C)cc1[C@H](C)NC(=O)NCC1CCOCC1 170809937 CUTPBJMGDWXMOS-JTQLQIEISA-N 280.372 1.515 0 50 CDAA CC(=O)NC1CN(C(=O)c2ccnc3ccccc23)C1 191509953 UFOGDWDSYASUEE-UHFFFAOYSA-N 269.304 1.195 0 50 CDAA Cc1ncn(Cc2nnc(C3CC3)n2C2CC2)c(=O)c1C 194645400 CKAKRWJAGIZIEI-UHFFFAOYSA-N 285.351 1.712 0 50 CDAA O=C(Cn1cc2ccccc2n1)NOCc1cccnc1 747580491 ROTYINWCEXFMLR-UHFFFAOYSA-N 282.303 1.679 0 50 CDAA C[C@@H]1CCN(C(=O)[C@]2(C(=O)O)CC=CCC2)C[C@@H]1CN 656852808 LCZIKXYENQOQTE-XUJVJEKNSA-N 280.368 1.241 0 50 CDAA CC(C)CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 662335763 QOBGDSQIKMRJDO-AWEZNQCLSA-N 291.443 1.655 0 50 CDAA O=C(c1cc(Cl)c[nH]1)N1CCC[C@@H]1c1nn[nH]n1 720627490 ISYMVILPQOUUAN-MRVPVSSYSA-N 266.692 1.159 0 50 CDAA Cc1ccsc1[C@@H](CO)NCc1nc(C2CC2)nn1C 578526962 UHVLOQBGWVWJBC-LLVKDONJSA-N 292.408 1.886 0 50 CDAA O=C(O)c1coc(=NCc2nnc(C3CC3)s2)[nH]1 579957583 DWFYCRBTYCABOI-UHFFFAOYSA-N 266.282 1.136 0 50 CDAA O=C([C@@H]1C[C@@H]1Cc1ccccc1)N1CCCS1(=O)=O 756234658 YLMFNLZDEFYVCO-QWHCGFSZSA-N 279.361 1.427 0 50 CDAA Cc1cccc(NC(=O)N[C@@H]2C(=O)NCC2(C)C)n1 585120184 YYPJDDGZMCKAAA-SNVBAGLBSA-N 262.313 1.036 0 50 CDAA c1nc(N2CCC(n3cnnc3)CC2)c2[nH]ccc2n1 1167115241 OPYYGKZIHMETPH-UHFFFAOYSA-N 269.312 1.391 0 50 CDAA CC1(CNC(=O)[C@]23CNC[C@H]2CCOC3)CC(F)(F)C1 1615545266 GEIKBEUCYKKOCK-MFKMUULPSA-N 288.338 1.164 0 50 CDAA CCc1cnc(O)c(C(=O)NC2CCC3(CC2)C[C@H]3N)c1 1615545802 JEYURKILEGFLHY-RYCVTPFZSA-N 289.379 1.739 0 50 CDAA C[C@@H](O)CN1CCC(CNc2ncnc3c2CCC3)CC1 1615560206 KIBGXCRYXIWLAU-GFCCVEGCSA-N 290.411 1.470 0 50 CDAA CCOCC(=O)Nc1cccc(-n2ccc(C(=O)O)n2)c1 1615582328 DIQKJMJHJJOUFS-UHFFFAOYSA-N 289.291 1.546 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)Nc1cccnc1O 1615613699 AZUULXQDVBGWHH-INIZCTEOSA-N 299.330 1.535 0 50 CDAA COc1ncccc1CN1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615713927 BUXRLHSTLQMNQQ-HOTGVXAUSA-N 299.374 1.521 0 50 CDAA COc1cc(C(=O)N2CCC[C@H]2C2(O)CC2)ccn1 1772816444 MEWQAWPOINWTGZ-NSHDSACASA-N 262.309 1.220 0 50 CDAA CN1CCCC2(CC1)CCN(C(=O)c1nccn1C)CC2 1506427272 XQYCUHAWSJCALY-UHFFFAOYSA-N 290.411 1.758 0 50 CDAA O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccon1 1529099916 HMPTWTCNLMLAJX-YPMHNXCESA-N 273.292 1.057 0 50 CDAA O=C(O)CN(Cc1ccccc1)CC1CCOCC1 225449937 UGJWCRIUBTYKCT-UHFFFAOYSA-N 263.337 2.000 0 50 CDAA Cn1ccnc1NC(=O)c1ccccc1-n1cccn1 1528731260 JTWWENMYBVCPRS-UHFFFAOYSA-N 267.292 1.858 0 50 CDAA CNC(=O)c1cccnc1NCCCNc1cccnc1 1529090564 JHZWIWRFYFGTTH-UHFFFAOYSA-N 285.351 1.750 0 50 CDAA CC(=O)NCCCNC(=O)c1ccc(Cl)cc1C 121989444 BBJHEUHNWNGLGJ-UHFFFAOYSA-N 268.744 1.904 0 50 CDAA CC(=O)c1cnc(N(C)C[C@@]2(C)CCN(C)C2)nc1C 1704306021 ZKRTWJLJCWENTF-HNNXBMFYSA-N 276.384 1.766 0 50 CDAA CCc1ccccc1OCCN1CC[C@@H](O)[C@@H](C(=O)O)C1 1704299300 IGDJMGPHKGHFOR-UONOGXRCSA-N 293.363 1.395 0 50 CDAA O=C(CN1Cc2ccccc2C1)NC[C@@H]1CC1(F)F 1857682966 NDPKPZSRCFCHFI-LBPRGKRZSA-N 266.291 1.774 0 50 CDAA O=C(COC[C@H]1CCCO1)OCc1cc(Cl)ccn1 584906950 CBSLSYVTLHYOGO-GFCCVEGCSA-N 285.727 1.974 0 50 CDAA Cn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C(=O)O 123690100 HFPVMRAAQUQVCS-NXEZZACHSA-N 298.364 1.144 0 50 CDAA C[C@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)CCS1 247401176 BGRXJMQXZJVTPJ-IUCAKERBSA-N 282.331 1.587 0 50 CDAA O=C1CO[C@]2(CCN(Cc3cccc4[nH]ccc34)C2)CN1 1772805367 MFRLMUBEZHUNBR-MRXNPFEDSA-N 285.347 1.259 0 50 CDAA Cc1nc(Nc2nc(O)cc(=O)[nH]2)nc2ccccc12 5042800 CRSKAHBHAIFILC-UHFFFAOYSA-N 269.264 1.471 0 50 CDAA COCC(=O)NC[C@H]1Cc2cccc(-c3cccnc3)c2O1 11790958 CMFMQJLEYGVEKK-CQSZACIVSA-N 298.342 1.815 0 50 CDAA Nc1nc[nH]/c(=N\c2ccccc2C(F)(F)F)n1 18098692 JEXHKZHYTMXRJF-UHFFFAOYSA-N 255.203 1.638 0 50 CDAA COc1ccc(CN2CCC[C@H](OC)C2)c(OC)n1 19745431 OZLUJIGUBUXKDJ-LBPRGKRZSA-N 266.341 1.710 0 50 CDAA Cn1c(=N)n(C[C@@H](O)c2ccco2)c2ccccc21 19790336 PJXUANKSZBRHQK-GFCCVEGCSA-N 257.293 1.786 0 50 CDAA CCOC(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 19929115 JLHPUIXVPSGTJS-UHFFFAOYSA-N 292.335 1.134 0 50 CDAA CCn1cc(-n2ccnc2-c2cnn3cccnc23)cn1 1857681084 XPSDFWPADWRYFY-UHFFFAOYSA-N 279.307 1.798 0 50 CDAA C[C@]1(C(=O)NCCCn2ccnc2)CC12CCNCC2 1857685579 YIZVQYGAYQQHIS-CQSZACIVSA-N 276.384 1.169 0 50 CDAA O=C([C@@H](O)c1ccc(Cl)cc1)N1CCc2c[nH]nc2C1 813495827 JUUJYHCPUCLCNT-ZDUSSCGKSA-N 291.738 1.681 0 50 CDAA CCOC(=O)c1cc(NC(=O)[C@H]2C[C@@H]2C(F)F)[nH]n1 225767787 XZUXYVKXEXQYJM-WDSKDSINSA-N 273.239 1.426 0 50 CDAA O=C(O)C1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 118966194 IEKPRKTUZZLXOF-QWRGUYRKSA-N 263.268 1.663 0 50 CDAA COc1cccc([C@H](C(=O)O)N2C[C@@H]3CC[C@H](C2)O3)c1 634695897 BNXYVXAPWMVALD-HZSPNIEDSA-N 277.320 1.684 0 50 CDAA COCc1cccc(S(=O)(=O)Nc2ccc(O)nn2)c1 241465964 NTMMKANHZPUEFL-UHFFFAOYSA-N 295.320 1.129 0 50 CDAA C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC1 17123242 HITJKRMPYWLVJM-JTQLQIEISA-N 262.309 1.580 0 50 CDAA in-vitro COC(=O)CN1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 352128480 FFPHJVIARNXBNH-MELADBBJSA-N 294.395 1.130 0 50 CDAA CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCCC[C@H]1O 252515172 HSRYAQWTUWNIRM-MGPQQGTHSA-N 268.401 1.528 0 50 CDAA OC[C@H]1CCN(c2ccc3nnc(-c4ccccc4)n3n2)C1 265862748 XRVLKDQWXZXPGI-LBPRGKRZSA-N 295.346 1.610 0 50 CDAA C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCOCC1 12380517 AZKVBHOLSWUUEA-JTQLQIEISA-N 269.728 1.966 0 50 CDAA Cc1ccc(F)c(CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1F 930126854 KWEAICHKNDYLSB-NSHDSACASA-N 295.289 1.009 0 50 CDAA CCc1nnc([C@H]2CN(CCc3ccns3)CCO2)o1 930272020 VZJAIBKHCNJJKT-LLVKDONJSA-N 294.380 1.705 0 50 CDAA C=CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)OC 1120461060 IJCNDJHSWGAVFF-LLVKDONJSA-N 251.257 1.212 0 50 CDAA C[C@@H](Cn1cccn1)NC(=O)OCCC(F)(F)F 866485620 UITBLKTXYXSWPS-QMMMGPOBSA-N 265.235 1.950 0 50 CDAA COC(=O)N1CC(C)(NC(=O)Nc2ncccc2OC)C1 952880373 CSQIBXNSMZJGQG-UHFFFAOYSA-N 294.311 1.052 0 50 CDAA OC[C@@]1(NCc2ccc(F)cc2F)CCSC1 1875290817 DRLRCIIGHZMWMQ-LBPRGKRZSA-N 259.321 1.922 0 50 CDAA Cn1c(-c2[nH]nc3c2COC3(C)C)nnc1N1CCCC1 1875280690 WJWJKRBCABVJLW-UHFFFAOYSA-N 288.355 1.571 0 50 CDAA O=C1CN(CC2(F)CC2)C(=O)N1Cc1ccco1 1875308067 RKNBVLFQZZBNOV-UHFFFAOYSA-N 252.245 1.546 0 50 CDAA CN1CC[C@H](OC(=O)c2c[nH]nc2-c2cccs2)C1=O 1875305147 IRDVXMGJTPCKIW-VIFPVBQESA-N 291.332 1.526 0 50 CDAA C=CC(=O)N1CC(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)C1 1875387201 UBADOKBTHQXQBW-JTQLQIEISA-N 298.346 1.385 0 50 CDAA CN(CC(=O)O[C@H]1CCC2(COC2)C1)[C@@H]1CCSC1 1875318841 WOSSODBMMFVILD-NEPJUHHUSA-N 285.409 1.536 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2ccccc2n1C 889195832 UTUNJVJSFCMKCY-IUODEOHRSA-N 288.347 1.712 0 50 CDAA CCc1cnc(O)c(C(=O)N[C@H]2C[C@@H](N)C23CCC3)c1 1772246933 XQGMEWDQQNDMTO-NEPJUHHUSA-N 275.352 1.349 0 50 CDAA O=C(CCc1ccncc1)N[C@@H](CO)c1ccccc1 136009854 DPLYSTVMHQWWII-HNNXBMFYSA-N 270.332 1.864 0 50 CDAA C=CC(=O)N[C@H]1CC(=O)c2cc(OC)c(OC)cc21 1775997482 KRLLFIJXBDGHLS-JTQLQIEISA-N 261.277 1.634 0 50 CDAA CCc1nc2c(C(=O)N3C[C@H](N)C4(CCC4)C3)ccnc2[nH]1 1775960881 SHGOVMWPWZMXBT-NSHDSACASA-N 299.378 1.474 0 50 CDAA c1ncc(-c2cn(CCO[C@H]3CCOC3)nn2)s1 899735433 JQMQJNYRZWGKRH-VIFPVBQESA-N 266.326 1.207 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@@H]1CCCO1 250832350 JPBJUPZITWZTNP-RVMXOQNASA-N 281.352 1.800 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1csc(C2CC2)n1 155807474 PAWFRZPZKWZZSI-SECBINFHSA-N 266.322 1.710 0 50 CDAA COc1cccc(OC[C@H](O)CNC2CCSCC2)c1 32576321 FJOCIBSNHFCDJX-CYBMUJFWSA-N 297.420 1.920 0 50 CDAA C[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)c1cnn(C)c1 261827544 UKYIQNQIHNZSGT-RISCZKNCSA-N 278.400 1.895 0 50 CDAA CCOC(=O)CCCN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3OC 367137397 IAKFTHCGTQMINR-ZZVJUGKHSA-N 267.369 1.685 0 50 CDAA N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccncc2)C1 380930260 VABZCTAGAMGQBQ-VHSXEESVSA-N 273.258 1.576 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(NCCO)C2 924568269 ADTQNLDAQVYPGF-UHFFFAOYSA-N 284.400 1.748 0 50 CDAA C[C@H](CCO)C(=O)N1Cc2ccccc2[C@@H](CO)C1 2325794408 AKSZQOLUAZZZOQ-DGCLKSJQSA-N 263.337 1.123 0 50 CDAA O=C(NCc1ccco1)[C@H]1COc2ccccc2O1 48550 GKBSPSZTPLQHQP-CYBMUJFWSA-N 259.261 1.736 0 50 CDAA CCn1nnc(NC(=O)c2cc3ccccc3o2)n1 587064 BIXUMFPDQAIJQX-UHFFFAOYSA-N 257.253 1.692 0 50 CDAA COCCNC(=O)Cn1c(C)c(C=O)c2ccccc21 2938450 DLYSZTGMOOLGHU-UHFFFAOYSA-N 274.320 1.525 0 50 CDAA CCN(CC)C(=O)CN(c1ccccc1C)S(C)(=O)=O 2962789 UARZXRGBFWXDDE-UHFFFAOYSA-N 298.408 1.629 0 50 CDAA O=C(NCc1ccco1)C(=O)NC1CCCCCC1 2993017 JNLNOZUDHWOWGW-UHFFFAOYSA-N 264.325 1.735 0 50 CDAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1nccs1 3958650 KKKDVCPAXUUMBE-UHFFFAOYSA-N 287.300 1.378 0 50 CDAA Cc1ccc(-c2nnn(CC(=O)NC(C)(C)C)n2)cc1 4141744 WSMISYGRAQHPMM-UHFFFAOYSA-N 273.340 1.563 0 50 CDAA C[C@@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)N(C)c3ccccc32)C1 4833835 KFAODQBIWKOKBZ-RSAASHCRSA-N 273.332 1.856 0 50 CDAA Cc1nc(NC(=O)N(C)Cc2cnn(C)c2)nn1C(C)C 55403845 UPSYNKUVLTZUTH-UHFFFAOYSA-N 291.359 1.565 0 50 CDAA O=C(CCn1cncn1)N1CCN(c2cccs2)CC1 134735199 KDFWUFIRZDMPFD-UHFFFAOYSA-N 291.380 1.079 0 50 CDAA CNCc1n[nH]c(=O)n1-c1ccccc1-c1ccccc1 65369773 ZVTLMWBQQRKJFO-UHFFFAOYSA-N 280.331 1.947 0 50 CDAA CCOC(=O)N1CCC(NCCSc2cnn[nH]2)CC1 65399069 SVAGBKNSDTVHHE-UHFFFAOYSA-N 299.400 1.107 0 50 CDAA CCN(CC1CCOCC1)C(=O)C1=C(C)NC(=O)N[C@@H]1C 67740734 JTVBWRNANWRBBV-SNVBAGLBSA-N 295.383 1.237 0 50 CDAA Cc1ccccc1N1C[C@@H](c2nnc(N)s2)CC1=O 20204026 OHQYDQUCTFVJER-VIFPVBQESA-N 274.349 1.949 0 50 CDAA Cc1ccc(N([C@@H](C)C(=O)O)S(C)(=O)=O)cc1Cl 20131016 OQXBIHACJXORHQ-QMMMGPOBSA-N 291.756 1.888 0 50 CDAA CCOc1cccc(OCCN2CC[C@@H](C(=O)NC)C2)c1 65532561 ZBSZKEGQNGBHTA-CYBMUJFWSA-N 292.379 1.532 0 50 CDAA CN1CCC(Cc2noc([C@@](C)(O)C(F)(F)F)n2)CC1 67840370 PUFYWBURHUBIKO-LLVKDONJSA-N 293.289 1.724 0 50 CDAA CCc1nc([C@H]2CCCN2C[C@@H](O)Cn2cccn2)no1 229298385 ZZSDRINNINLFBN-VXGBXAGGSA-N 291.355 1.027 0 50 CDAA Cc1[nH]c2ccc(CNC(=O)Cn3cncn3)cc2c1C 64901644 YIWAYURXNCEOOS-UHFFFAOYSA-N 283.335 1.693 0 50 CDAA Cc1nnsc1CN(C)CCC(=O)N1CCC[C@H](C)C1 65394281 KDJMTPNKEUOJCP-NSHDSACASA-N 296.440 1.927 0 50 CDAA Cc1csc2c(=O)n([C@H]3CCCCNC3=O)cnc12 32592913 GXSCRMJFOHGVDU-VIFPVBQESA-N 277.349 1.608 0 50 CDAA Cc1cc(N2CCC[C@@H](NC[C@@H]3CCC=CO3)C2)n(C)n1 328587784 HYYFPNKLXKXSIE-CABCVRRESA-N 290.411 1.980 0 50 CDAA Cc1cc(-n2c(Cl)cncc2=O)nc(C2CC2)n1 328593912 YOBOALXIYHOCFB-UHFFFAOYSA-N 262.700 1.862 0 50 CDAA Cc1cc(=NC(=O)N(C)C[C@H]2CCc3nccn3C2)[nH]o1 328633362 SNVUCXKPBMQKSU-LLVKDONJSA-N 289.339 1.328 0 50 CDAA C[C@H]1C[C@H](N[C@H]2CCO[C@@H]2c2nccn2C)C[C@@H](C)O1 328646174 SLNLXARXGBMDCZ-NDKCEZKHSA-N 279.384 1.796 0 50 CDAA Cn1cncc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1 281508254 BFEXYVMRFMIZNE-CABCVRRESA-N 275.327 1.867 0 50 CDAA O=C(NC[C@@]1(O)CCCNCC1)c1ccc2ncccc2c1 72128440 UCVMKGNJOQWRMU-QGZVFWFLSA-N 299.374 1.469 0 50 CDAA CN1C(=O)CN(S(=O)(=O)CC2CC2)[C@@H]1c1ccccc1 333036096 NKXVMIRTYKSUOH-CQSZACIVSA-N 294.376 1.199 0 50 CDAA Cc1cc(C)c(CNC(=O)N[C@H]2CCCOC2)cn1 333567917 XMJAWVOLQSJCBF-ZDUSSCGKSA-N 263.341 1.677 0 50 CDAA CNC[C@H]1CCCN(C(=O)c2cccnc2NC(C)C)C1 237314767 HFGHJVHBGLKNKI-CYBMUJFWSA-N 290.411 1.974 0 50 CDAA C[C@@H](C(=O)N[C@H]1CN(c2ccccc2)C1=O)C1CC1 360852810 QROYLYFJGVGLDH-MFKMUULPSA-N 258.321 1.564 0 50 CDAA COc1ccc(CNC(=O)N2CCCC[C@H]2CN)cc1F 417087876 IJICRFSKMZLOCT-LBPRGKRZSA-N 295.358 1.857 0 50 CDAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CC[C@H](O)C12CCCC2 333984278 FJTPIDLRHYHAQN-XQHKEYJVSA-N 280.368 1.395 0 50 CDAA C[C@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@H](C)N1 154116652 HLVSVYYGRWYWKC-STQMWFEESA-N 299.378 1.149 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 237911477 XCAGIQKYGQNJNR-RRFJBIMHSA-N 292.354 1.853 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CCc2cc(F)ccc2F)CCO1 237965445 JUCYZRVPGVREHI-GFCCVEGCSA-N 299.273 1.209 0 50 CDAA Cc1nc(S)sc1CC(=O)N[C@H]1CCO[C@H]1C 129791242 RIUWMMBSBKJFDJ-YUMQZZPRSA-N 272.395 1.576 0 50 CDAA CSCC[C@H](O)C(=O)N1CC(Oc2ccc(F)cc2)C1 216410777 OYPJCOAYGXGGOP-ZDUSSCGKSA-N 299.367 1.529 0 50 CDAA C[C@@H]1[C@H](C(=O)N2CC(n3cncn3)C2)[C@@H]1c1ccccc1 373817719 BQRYGRPLGRDMIW-CQDKDKBSSA-N 282.347 1.711 0 50 CDAA CC(C)[C@@](C)(O)CNC(=O)c1ccc(C(=O)O)cc1F 262393865 NCMDCWAIAVWEML-AWEZNQCLSA-N 283.299 1.661 0 50 CDAA COc1ccc(NC(=O)C[C@@H]2CCCCNC2=O)c(C)n1 374217404 OEFTVMJBMPRXGE-NSHDSACASA-N 291.351 1.644 0 50 CDAA Cc1ccc(F)c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1 222426765 FFLRQQBZCLWZDY-LPWJVIDDSA-N 293.294 1.951 0 50 CDAA Cn1c(SC[C@H]2CCCOC2)nnc1C1CCNCC1 426635236 DIEUOFSLDXOOBI-NSHDSACASA-N 296.440 1.801 0 50 CDAA CCCCS(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 48906209 MFTCTOFKIMLDLL-LBPRGKRZSA-N 298.412 1.165 0 50 CDAA NC[C@@H]1CCN(C(=O)NCc2cnc3ccccc3c2)C1 426651471 ZSHQLPMIVOKDQN-LBPRGKRZSA-N 284.363 1.725 0 50 CDAA Cc1nc(CC2CCN(C(=O)C[C@@H]3CCOC3)CC2)no1 426491030 IBVXWULCJCVTSY-ZDUSSCGKSA-N 293.367 1.586 0 50 CDAA CS(=O)(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 48961464 JVRHLIRODJZFLB-JTQLQIEISA-N 272.345 1.201 0 50 CDAA Cc1nonc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CCC1 222437482 VYFOSFBSRNVGCY-NEPJUHHUSA-N 295.339 1.082 0 50 CDAA CC(C)Oc1ccccc1CC(=O)NC[C@H]1CCCN1 178731554 GGKPYTYGDCTYLN-CQSZACIVSA-N 276.380 1.885 0 50 CDAA C[C@@H](CCC(=O)NC(C)(C)C(=O)O)N1CCCC1 426484881 SFTFUNMGFBIINO-JTQLQIEISA-N 256.346 1.230 0 50 CDAA Cc1nc(CNC(=O)[C@@H](c2ccccc2C)N(C)C)n[nH]1 95354769 CLMJQFQZHPPGGV-CQSZACIVSA-N 287.367 1.341 0 50 CDAA O=C(O)c1cc(N2CCC3(CC2)OCCC[C@@H]3O)ccn1 91747100 HFKFITIOTIJOOL-ZDUSSCGKSA-N 292.335 1.290 0 50 CDAA Cc1ccc(-c2n[nH]cc2CNC[C@@]2(O)CCOC2)o1 179027796 UVVDZRKCKROIJY-AWEZNQCLSA-N 277.324 1.219 0 50 CDAA Cc1cccc(N2CCC(N3C[C@@H](N)[C@H](O)C3)CC2)c1C 426677765 ROQNBEAVBBIQLN-NVXWUHKLSA-N 289.423 1.276 0 50 CDAA Cc1cc(-c2ccc(N)nc2)cnc1-n1cnnc1 96132914 VSTZPUZPJZFSKF-UHFFFAOYSA-N 252.281 1.615 0 50 CDAA CN(C)c1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn1 97634926 GJWAFUINUNYNNG-CYBMUJFWSA-N 299.378 1.891 0 50 CDAA Cc1c(NC(=O)N(C)CCCc2cnn(C)c2)cnn1C 95505181 UPAAOXVWGOKQLP-UHFFFAOYSA-N 290.371 1.559 0 50 CDAA CCCn1cc(C(=O)N[C@@H]2CCc3[nH]ncc3C2)c(C)n1 91915423 UOXRUYPOPXQJED-GFCCVEGCSA-N 287.367 1.612 0 50 CDAA Cc1ccc(CNCCCN2CCOCC2)s1 95098707 GQKOEXXOGKCWAU-UHFFFAOYSA-N 254.399 1.868 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)C1 239402980 RJKFJIGHKPUDQB-GRYCIOLGSA-N 251.326 1.912 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)CCCn1ccnc1)C1CC1 244787981 QHGYWTWEMCKRJP-AWEZNQCLSA-N 287.367 1.664 0 50 CDAA CCN(CCn1ccc(C)n1)C[C@H](O)c1cccc(O)c1 244741953 NZOOSHJZYTVAAM-INIZCTEOSA-N 289.379 1.953 0 50 CDAA CCSCC(=O)N1CCCN(c2ncccn2)CC1 243932660 BXLWTMQEPUZNRI-UHFFFAOYSA-N 280.397 1.268 0 50 CDAA O=C(NCC1(C(=O)O)CC1)c1ncsc1C(F)(F)F 621572382 KFMMTRFZXAIJRE-UHFFFAOYSA-N 294.254 1.757 0 50 CDAA O=C(C[C@@H]1CCOC1)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 621614330 CXUMPHOMQGWXPU-YWPYICTPSA-N 281.352 1.516 0 50 CDAA CNc1ncc(CN(C)c2cc([C@H]3C[C@@H](N)C3)ncn2)cn1 252549841 RVKVYLRICVYELS-TXEJJXNPSA-N 299.382 1.149 0 50 CDAA COCC1(N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 617473800 OOJSRQPCRQPAIN-LLVKDONJSA-N 282.384 1.271 0 50 CDAA Cc1cnc([C@H](C)NC(=O)CN(C)Cc2ccncc2)[nH]1 534669370 MATBBAZTTPECPP-LBPRGKRZSA-N 287.367 1.422 0 50 CDAA CCCc1ncncc1C(=O)NC[C@@H](C)n1cc(C)cn1 534639526 JYBLFLPSEIOPBE-GFCCVEGCSA-N 287.367 1.925 0 50 CDAA C[C@H](CCC(=O)NCc1cscn1)N1CCOCC1 534673809 YBXUCJZFPACOFV-LLVKDONJSA-N 283.397 1.260 0 50 CDAA CC[C@H](NC(=O)c1ccn(C)c1C)c1ncnn1CC 534656023 PTMOSEUUGZKZJR-LBPRGKRZSA-N 275.356 1.826 0 50 CDAA CN(C)CC(C)(C)CN1CC[C@H]2OCc3cnnn3[C@H]2C1 299761742 YVUPCVCRLZRFFY-UONOGXRCSA-N 293.415 1.012 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)CCc1cc(O)no1 299778798 HKBLOROBLCFNPV-LLVKDONJSA-N 289.335 1.764 0 50 CDAA CCc1ccc(Cn2ncnc2CNC(=O)N(C)C)cc1 823517598 JPGTWEVYDSMVBG-UHFFFAOYSA-N 287.367 1.660 0 50 CDAA Cc1ncc(C(=O)NCc2ccccc2CN(C)C)cn1 823714953 ADXJFHNQTYKWBQ-UHFFFAOYSA-N 284.363 1.777 0 50 CDAA O=C(CCc1cn[nH]c1)NCc1nc2ccc(F)cc2[nH]1 827820477 VTUHMQBNOIRGKN-UHFFFAOYSA-N 287.298 1.674 0 50 CDAA CC1(C(=O)N2CCCN(C3CCCCC3)CC2)COC1 584904130 YAFTZFUQBVYXMM-UHFFFAOYSA-N 280.412 1.890 0 50 CDAA CC[C@H](NC(=O)c1[nH]nnc1C)c1cccc(C)n1 584893834 GCFPSNWIUHUZQY-JTQLQIEISA-N 259.313 1.698 0 50 CDAA C[C@@H](N)CONC(=O)/C=C/c1c(F)cccc1F 585136822 UHFYAXUZWYZVNJ-HQZHTGGTSA-N 256.252 1.373 0 50 CDAA COc1nc(NCCCN2CCC[C@H](CO)C2)ncc1F 670445935 BRBYUAXEZLHCDW-NSHDSACASA-N 298.362 1.131 0 50 CDAA c1cnn(CCCN2CCC(c3nc[nH]n3)CC2)c1 670470042 WKMSOPQALCPJLP-UHFFFAOYSA-N 260.345 1.271 0 50 CDAA CC(C)[C@H]1N(Cc2ccccc2)C[C@@]12C[C@@H](N)[C@H](O)C2 685944109 LVUNZYDAQWYWGR-VQHPVUNQSA-N 274.408 1.995 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)NCCc1ccc3c[nH]nc3c1)C2 1553483273 OPSKAPUKDNYRSJ-BBRMVZONSA-N 299.378 1.238 0 50 CDAA COC[C@@H]1[C@H](NC(=O)CCc2cccnc2)[C@H]2CCO[C@@H]12 1565517081 FJEJPBHTSRYDFA-RRCSTGOVSA-N 290.363 1.180 0 50 CDAA C[C@H](CCc1cccn1C)NC(=O)[C@H]1C[C@H]1C(=O)O 268940505 JGXITMIKAFEPGI-ADEWGFFLSA-N 264.325 1.183 0 50 CDAA Cc1ncc(C(=O)N2CCc3occc3[C@H]2C(=O)O)[nH]1 630238461 QBOSCQAPEGRWBE-NSHDSACASA-N 275.264 1.135 0 50 CDAA CC[C@@H]1CN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)C[C@H]1O 270716126 AMTGFQINBAELGK-OASPWFOLSA-N 279.384 1.749 0 50 CDAA CCOc1cnc(C(=O)N2CCCO[C@H](C)C2)cn1 187490004 UUVNRVGNSGDCJX-SNVBAGLBSA-N 265.313 1.126 0 50 CDAA Cc1noc2nc(C3CC3)cc(C(=O)NS(C)(=O)=O)c12 166793896 QYIMVSWIYFQHQN-UHFFFAOYSA-N 295.320 1.098 0 50 CDAA COc1cccc(CC(=O)Nc2ccc(OC)nc2C)n1 185845974 CNSPLKXULGULCY-UHFFFAOYSA-N 287.319 1.983 0 50 CDAA CC(C)(O)CN(C(=O)N[C@@H]1CCCOCC1)C1CC1 187768164 YJWQMGLCFSNHLH-LLVKDONJSA-N 270.373 1.500 0 50 CDAA O=S(=O)(N[C@@H]1C[C@H]1CO)c1cnc(Cl)c(Cl)c1 170606626 QWCBNCCVCOAHJD-YLWLKBPMSA-N 297.163 1.048 0 50 CDAA CO[C@H](C)CS(=O)(=O)N(C)Cc1c(C)noc1C 170616475 DDEYGOFDHUTYAN-MRVPVSSYSA-N 276.358 1.088 0 50 CDAA C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@H]2CC(=O)N[C@H](C)C2)C1 408201429 FJIRRCMVBBMMDY-MLGHIDQZSA-N 266.385 1.842 0 50 CDAA COC(=O)[C@@H](C)Sc1nc2nccc(C)c2[nH]1 279363635 KUQQETFRIHMEJZ-SSDOTTSWSA-N 251.311 1.920 0 50 CDAA CCN(C(=O)c1cnn(CC2CC2)c1)[C@@H](C)C(=O)O 633137630 UPWPSFSCUKAFSC-VIFPVBQESA-N 265.313 1.228 0 50 CDAA CCN1CCCN(Cc2ccn(C(C)C)n2)CC1=O 190197572 JYVUWQFRKWLQCE-UHFFFAOYSA-N 264.373 1.518 0 50 CDAA Cn1cc(C(=O)Nc2nc3c(s2)CSCC3)nn1 558213170 PQAYFUXKMSXZNJ-UHFFFAOYSA-N 281.366 1.313 0 50 CDAA Cn1cc([C@@H]2CSCCN2C(=O)C[C@@H]2CCCO2)cn1 191999025 HBSGFWDENMQRGG-STQMWFEESA-N 295.408 1.606 0 50 CDAA C[C@@H]1CCN(c2nc3ccccc3o2)CCS1(=O)=O 192249941 ZSEYPTBGNZXUMP-SNVBAGLBSA-N 280.349 1.841 0 50 CDAA COCc1cccc(S(=O)(=O)N[C@H]2CCCN[C@H]2C)c1 193455675 SWRZQDYROQAWKE-FZMZJTMJSA-N 298.408 1.252 0 50 CDAA COc1ccnc(CNC(=O)N2CCCO[C@@H](C)C2)c1F 666636363 QMJGQBBWYDGLSU-JTQLQIEISA-N 297.330 1.550 0 50 CDAA C[C@H](Cc1ccncc1)NC(=O)c1cc(O)nc(C2CC2)n1 578141563 NSYMIDZKYXEFEA-SNVBAGLBSA-N 298.346 1.816 0 50 CDAA O=C(N[C@H]1CCc2n[nH]cc2C1)c1ccnn1C(F)F 668746163 WZQSBUFIVFSYIJ-QMMMGPOBSA-N 281.266 1.289 0 50 CDAA C[C@@H](c1ccccn1)N(C)C(=O)c1ccc2c(c1)B(O)OC2 584938340 DMECXCZCGRTVIB-NSHDSACASA-N 296.135 1.133 0 50 CDAA COc1cc(N(C)CCCN2CCN(C)CC2)ccc1N 584904574 DNPYMUOHEAZMGN-UHFFFAOYSA-N 292.427 1.351 0 50 CDAA CCCCNC(=O)[C@H](C)N1CCC=C(c2cnn(C)c2)C1 585115994 CWFZCLMGUFBSKF-ZDUSSCGKSA-N 290.411 1.814 0 50 CDAA CC(C)C[C@@H](NC(=O)C1CCCC1)c1nn[nH]n1 735769636 IPKAHXGHCBIFFR-SNVBAGLBSA-N 251.334 1.593 0 50 CDAA COC1CC2(CC(CNC(=O)C3(C(=O)O)CC3)C2)C1 1875290019 GWVKDOUQCXLOAW-UHFFFAOYSA-N 267.325 1.173 0 50 CDAA COC(C)(C)C(=O)N1CCC[C@@]2(CCC[C@H]2O)C1 1704297205 JSXAWDHYJPJHSG-RISCZKNCSA-N 255.358 1.565 0 50 CDAA COc1nc(-c2ccc(-c3cn[nH]c3)cc2)nn1C 1875249730 UJHJBLKFGHMSFX-UHFFFAOYSA-N 255.281 1.881 0 50 CDAA CO[C@H]1C[C@H](Nc2ncnc(N)c2Cl)C1(C)C 300424939 NLNBULMFAUGLPD-BQBZGAKWSA-N 256.737 1.938 0 50 CDAA O=C1c2ccc(Br)cc2C(=O)N1CCO 295507 FZQASMSHRMOPMR-UHFFFAOYSA-N 270.082 1.037 0 50 CDAA CC[C@H](C)OCC(=O)N1CC[C@H](C)[S@](=O)CC1 430374129 WONJKTOVOPQHFC-PSVSLLHZSA-N 261.387 1.171 0 50 CDAA O=C(O)[C@H](c1cccc(Cl)c1)N1CCS(=O)CC1 574212796 FADZZLPXNKWPGT-NSHDSACASA-N 287.768 1.530 0 50 CDAA CC[C@@H](C)OCC(=O)N1CCn2c(nc(C)c2C)C1 372726191 JRZVKNDJAPDKKM-SNVBAGLBSA-N 265.357 1.657 0 50 CDAA CC[C@@H](C)NC(=O)N1CCCN(C(=O)C2(C)CC2)CC1 1772815600 PINAFWLLPXDCQZ-GFCCVEGCSA-N 281.400 1.829 0 50 CDAA OC[C@@H](O)C1CCN(c2noc(-c3ccccc3)n2)CC1 1772812124 AZDJEGPXOCRKCA-CYBMUJFWSA-N 289.335 1.306 0 50 CDAA CC(C)n1ccnc1S(=O)(=O)Cc1ccon1 265952676 NZBABJYEXKKYNM-UHFFFAOYSA-N 255.299 1.426 0 50 CDAA Cc1cccc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 5418827 IHMAOHAIJGDKNZ-NSHDSACASA-N 268.334 1.725 0 50 CDAA Cc1nc2nc(CO)nn2c(O)c1Cc1ccccc1 5730163 OYFKXPPRUCOECW-UHFFFAOYSA-N 270.292 1.221 0 50 CDAA CN1C(=O)N(C)[C@@](O)(c2ccccc2)[C@@]1(O)c1ccccc1 13509792 NXQPKFDLVDLKBZ-CALCHBBNSA-N 298.342 1.674 0 50 CDAA Cc1cc(NC(=O)CN2CCOCC2)ccc1Cl 15019382 OTCXSXWPVMSKRJ-UHFFFAOYSA-N 268.744 1.919 0 50 CDAA CC(=O)Nc1nc2c(s1)C(=O)NCC(C)(C)C2 17028301 QRQKSPKJHPMRSQ-UHFFFAOYSA-N 253.327 1.414 0 50 CDAA Cc1cc(C)n(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 18123259 LXUKKUOMMLYWMT-VXGBXAGGSA-N 289.335 1.315 0 50 CDAA CCOC(=O)C(C(=O)OCC)c1ccc(C)cn1 168616859 JAPLXUIXNIUVDE-UHFFFAOYSA-N 251.282 1.600 0 50 CDAA CC(C)n1nc2ncnc(N)c2c1Br 205287173 JASCPMGZADDPOW-UHFFFAOYSA-N 256.107 1.752 0 50 CDAA CC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 205041160 FZIUNSSVFCUFKB-NSHDSACASA-N 256.346 1.770 0 50 CDAA O=C(C1CCC1)N1CCC(N2C[C@H]3C[C@@H](O)C[C@H]3C2)CC1 1857682847 PAMAGAZIDGWWLX-MIFYACCESA-N 292.423 1.480 0 50 CDAA O=C(CCc1ccsc1)N[C@@H]1COC2(CCNCC2)C1 1857690369 JDXAHOZBMAJRID-ZDUSSCGKSA-N 294.420 1.708 0 50 CDAA O=C(CCn1ccnn1)N[C@H]1CCc2ccccc2C1 331618206 DYUWQUKDAMIGJY-AWEZNQCLSA-N 270.336 1.342 0 50 CDAA CCOC(=O)c1c[nH]c2cc3c(cc2c1=O)OCCO3 3945155 AXEDXMIMJGBMIP-UHFFFAOYSA-N 275.260 1.476 0 50 CDAA Cc1ccccc1[C@@H]1CN(C(=O)C2CCNCC2)CCO1 237640808 ZBEWPHSHMWTAGF-INIZCTEOSA-N 288.391 1.895 0 50 CDAA Cc1nnc(N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 343245021 RUNWLJNHUJQQOI-BXKDBHETSA-N 281.262 1.969 0 50 CDAA Cc1ccn(C)c1C(=O)N1CCC[C@H](CC(N)=O)CC1 671547660 FKNSPIUKYUGWIF-LBPRGKRZSA-N 277.368 1.451 0 50 CDAA C[C@H](CNC(=O)c1ccc2cnccc2n1)N(C)C1CC1 579446172 PEYPTGPSOQOCBN-LLVKDONJSA-N 284.363 1.842 0 50 CDAA Cc1oncc1NS(=O)(=O)c1ccnn1CC1CCC1 901907915 YQUSEYNPQJCYHR-UHFFFAOYSA-N 296.352 1.780 0 50 CDAA C[C@H](NC(=O)c1ccc2c(c1)C(C)(C)CO2)c1nc[nH]n1 810458846 ZQJADQVUMJAFCP-VIFPVBQESA-N 286.335 1.966 0 50 CDAA OC[C@H]1CCN(Cc2c(F)cc(F)cc2F)C[C@@H]1O 1140530314 UVKLSPRWYDIQIR-OQPBUACISA-N 275.270 1.279 0 50 CDAA CCO[C@H](CCN(C)C)CNC(=O)NCc1nocc1C 952883718 OXDQYJUWRDFBOH-GFCCVEGCSA-N 298.387 1.139 0 50 CDAA CCc1n[nH]cc1S(=O)(=O)N1CC[C@H]1C1CCC1 1875298364 YFVMFSJOPLZABS-NSHDSACASA-N 269.370 1.535 0 50 CDAA O=C(NCc1ccc2ccc(O)nc2n1)N1CCC1 1875299465 MFSHHPCALGYVFE-UHFFFAOYSA-N 258.281 1.251 0 50 CDAA CN(C)C/C=C/C(=O)NCC(C)(C)C1=CCOCC1 1875376783 IFIXLRIBAWBLJR-AATRIKPKSA-N 266.385 1.593 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2COC)CC1 1875366312 YHKFWUDLJLUWKD-ZDUSSCGKSA-N 280.368 1.048 0 50 CDAA C[C@]1(C(F)F)C[C@@H]1C(=O)N1CCc2c(O)nc(O)nc2C1 1875310614 VXPRDTMPMDAWSU-UHLUBPPHSA-N 299.277 1.064 0 50 CDAA COC[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1c1cnn(C)c1 886066048 RILORKJZUPFQSV-STQMWFEESA-N 295.358 1.872 0 50 CDAA CC(=O)N1C[C@H](N[C@@H]2CCOC2)CC[C@H]1C(F)(F)F 886065801 VJBGEHPQNWBAPH-MXWKQRLJSA-N 280.290 1.307 0 50 CDAA COc1nn(C)cc1NC[C@H]1CCO[C@@H]1c1cnn(C)c1 886079670 HUSWKVZJNJWAJY-MFKMUULPSA-N 291.355 1.352 0 50 CDAA CCc1cnc(NC(=O)C2(C(=O)NC3CC3)CC2)o1 887238869 XDGRJAOFVUKLLA-UHFFFAOYSA-N 263.297 1.234 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccnc(O)c1)C(=O)O 1772716922 HEORFPPJRXONHD-VIFPVBQESA-N 282.296 1.308 0 50 CDAA C=CC(=O)N[C@@H]1CC(=O)c2cc(OC)c(OC)cc21 1775997483 KRLLFIJXBDGHLS-SNVBAGLBSA-N 261.277 1.634 0 50 CDAA CCn1cc(/C=C/c2nc(O)c3cnn(C)c3n2)c(C)n1 899348497 AMUOXNSGZWQFBU-AATRIKPKSA-N 284.323 1.764 0 50 CDAA C[C@H](NC(=O)[C@@H](C)C1CC1)c1cccc(S(N)(=O)=O)c1 148097820 TYJUHCNHVAZONC-UWVGGRQHSA-N 296.392 1.557 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2CC(C)(C)C)C1 260226696 IAEZHZUFDLRKET-SECBINFHSA-N 251.330 1.602 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1n[nH]c2ccccc12 263050210 DWNFXDHBJPXMBR-OCAPTIKFSA-N 259.265 1.156 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)c1ccncc1 275308099 AULHCAXIEVCSOK-LLVKDONJSA-N 256.309 1.271 0 50 CDAA CNC(=O)CC1CCN(CCC(F)(F)F)CC1 65420783 KWLNGZIAMCOEAU-UHFFFAOYSA-N 252.280 1.787 0 50 CDAA CC(C)(CN1CCCC1)NC(=O)c1ccc(N)nc1 308679284 KIIVJSVUYNOAKT-UHFFFAOYSA-N 262.357 1.268 0 50 CDAA Cn1ncc(Cl)c1C(=O)N1CCC(C2(O)CC2)CC1 616516869 RPUJXVZPMGWEQV-UHFFFAOYSA-N 283.759 1.451 0 50 CDAA COc1csc(C(=O)N[C@@H]2CCNCC2(C)C)c1 335577114 CICPWYVRXSKMTH-LLVKDONJSA-N 268.382 1.875 0 50 CDAA COc1ccc(CN(C)CCn2cnnc2)cc1OC 93808149 FWBWNAWCFCYZDZ-UHFFFAOYSA-N 276.340 1.427 0 50 CDAA CN(C(=O)C1CC(C(=O)O)C1)c1ccc(F)cc1 682700610 NXNVKTKIUURTGD-UHFFFAOYSA-N 251.257 1.899 0 50 CDAA C1CC(N2CCC(N[C@@H]3CCSC3)CC2)CCO1 584903972 HINZUWSLIYPDRA-CYBMUJFWSA-N 270.442 1.725 0 50 CDAA C[C@](O)(CN1C[C@@H]2CC[C@@H](N)[C@H]2C1)c1ccccc1 388826458 WSQJXXIDWYWYTM-HNKHHVNMSA-N 260.381 1.563 0 50 CDAA CNC(=O)c1ccc(-c2cc3c(cc2OC)OCO3)nn1 2100545201 JJCYFLYACDSNRW-UHFFFAOYSA-N 287.275 1.241 0 50 CDAA Cc1nc(C(C)(C)NC(=O)Cc2ccc3ocnc3c2)n[nH]1 2325781342 HBFAGDHCHXEQFD-UHFFFAOYSA-N 299.334 1.848 0 50 CDAA O=C(O)COc1ccc(CCNC(=O)N2CCC2)cc1 2325783603 LBNLYQMXQGKPPH-UHFFFAOYSA-N 278.308 1.108 0 50 CDAA CC(C)N1CCC[C@H](n2cc3c(n2)C(=O)CCC3)C1=O 902547495 BDTHHORDCJULQG-LBPRGKRZSA-N 275.352 1.974 0 50 CDAA COC(=O)c1[nH]c2c(c1C)C(=O)[C@H](C(=O)OC)[C@@H](C)C2 250148 SASYJEBNAJSAMZ-IMTBSYHQSA-N 279.292 1.274 0 50 CDAA CCOC(=O)c1sc(NC(=O)[C@@H]2CCCO2)nc1C 475723 TUBWAFCBCCAYKY-QMMMGPOBSA-N 284.337 1.746 0 50 CDAA Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)n1 938771 JKTKBVSQLIRPKT-UHFFFAOYSA-N 275.283 1.638 0 50 CDAA COCCNS(=O)(=O)c1cc(Cl)ccc1OC 1803053 RVCIYVQNDWIWKN-UHFFFAOYSA-N 279.745 1.273 0 50 CDAA Cc1nc(CN2CCC[C@@]23CCCN(C2CC2)C3=O)no1 2356137614 RQOAWQJEPIAPCJ-HNNXBMFYSA-N 290.367 1.497 0 50 CDAA Fc1cccc2ncc(-c3nc(N4CCOCC4)n[nH]3)cc12 2356137979 DCMFDSZSVOSFDF-UHFFFAOYSA-N 299.309 1.996 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc(N2CCNCC2)cc1 4245183 QTZDCDPLNMBSCA-UHFFFAOYSA-N 297.424 1.127 0 50 CDAA CC(=O)N1CCC(C(=O)Nc2nc(C)c(C)s2)CC1 6698991 HLTDAJLGFYBYNL-UHFFFAOYSA-N 281.381 1.957 0 50 CDAA C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCCC1 6747491 UWHNVNXEQQUBOW-SNVBAGLBSA-N 250.298 1.410 0 50 CDAA O=C1CN(C(=O)c2n[nH]c3ccccc23)[C@H]2CCCC[C@H]2N1 225469895 OWPKECJFAZYFKL-OLZOCXBDSA-N 298.346 1.446 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2cnsn2)c2ccccc21 133874539 UMMJINRWMRSBII-QMMMGPOBSA-N 275.289 1.367 0 50 CDAA CC1(C)[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@@H]2CCO[C@H]21 247193491 MNQMZUWKHKMNRZ-YNEHKIRRSA-N 288.347 1.329 0 50 CDAA CC(C)(C)CN1CCN(C2CCOCC2)C[C@H]1CCO 105626056 IAOFDBSFDXJGHE-OAHLLOKOSA-N 284.444 1.580 0 50 CDAA COc1cc(NCCc2nc(-c3cccnc3)n[nH]2)ncn1 65408721 GEVJFUKQWPCETA-UHFFFAOYSA-N 297.322 1.320 0 50 CDAA O=C(CCOc1ccccc1)N[C@@H]1C[C@H]2OCC[C@@H]12 1074577773 WQGUVAVZAJWCMZ-BFHYXJOUSA-N 261.321 1.749 0 50 CDAA CCCn1cnnc1CNCc1nc(-c2ccco2)no1 65393676 ASJMWIAUCUNVII-UHFFFAOYSA-N 288.311 1.621 0 50 CDAA O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCN(c2cccs2)C(=O)C1 248736664 PXCAGNMPLYUMFB-YABSGUDNSA-N 290.388 1.969 0 50 CDAA CC(=O)Nc1ccc(C(=O)Nc2cccnc2O)cn1 170622766 VQIYYJYYRYPQEL-UHFFFAOYSA-N 272.264 1.393 0 50 CDAA CN1C[C@@H](NC(=O)Nc2nnc(C(C)(C)C)s2)CC1=O 63833496 DTYSBVQFARZLPR-ZETCQYMHSA-N 297.384 1.188 0 50 CDAA C[C@@H](CNC(=O)[C@H]1CCCO1)N1CCC[C@@H](C)C1 229381141 AWRUZCFTTCNBCG-FRRDWIJNSA-N 254.374 1.402 0 50 CDAA Cc1nc(N(C)C)nc(NCCc2c[nH]cn2)c1C 65433010 KADUELUWHSGDNL-UHFFFAOYSA-N 260.345 1.537 0 50 CDAA Cc1c[nH]nc1CN1CC(C)(C)O[C@@]2(CCOC2)C1 365683674 YNDXXBZUHFPXLA-AWEZNQCLSA-N 265.357 1.488 0 50 CDAA CCCC[C@H](C(=O)OC)N1CC(C)(C)O[C@]2(CCOC2)C1 328588520 HMFKURYEYVHJHZ-CZUORRHYSA-N 299.411 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Cc1cc(C)nc(C(=O)OCCc2nnc(C)o2)c1 893185583 MVIBTNLGKWVAIX-UHFFFAOYSA-N 261.281 1.789 0 50 CDAA CN(C[C@@H](O)C1CC1)C(=O)c1ccc2nc(Cl)nn2c1 1776005268 CHAPBNOAPNSDGT-SNVBAGLBSA-N 294.742 1.226 0 50 CDAA N[C@H]1CCN(C(=O)CCOc2cccc(Cl)c2)C1 237920446 OLCHVKDNYJZWRH-NSHDSACASA-N 268.744 1.669 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3cccnc3)n2C1 259794477 WJINFCGFJGYZCL-JTQLQIEISA-N 258.281 1.076 0 50 CDAA CN(Cc1cnccn1)C(=O)[C@H]1CC[C@H](C(=O)O)CC1 262703765 IVVAIFBPHFXUNY-XYPYZODXSA-N 277.324 1.326 0 50 CDAA C[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)c2ccsc2)C1 263107582 DEXTUGOKQUQJDQ-RKDXNWHRSA-N 289.378 1.479 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@@H]1C=C[C@@H](C(=O)O)C1 277251594 LXNWMLUTGHSGGH-VXGBXAGGSA-N 295.360 1.557 0 50 CDAA O=C(O)[C@H]1CC(=O)N(Cc2nccn2Cc2ccccc2)C1 65371530 UGXIDKUXCFYFFG-ZDUSSCGKSA-N 299.330 1.365 0 50 CDAA Cc1n[nH]c([C@H](C)Nc2cc(C(C)C)nc(N)n2)n1 91871314 ASKUIHLLPXBSSF-ZETCQYMHSA-N 261.333 1.782 0 50 CDAA O=C(O)CN(C(=O)Cc1ccc(F)c(F)c1)C1CCC1 655593682 GYBPFFRCMYBBBM-UHFFFAOYSA-N 283.274 1.973 0 50 CDAA CN(C)[C@H]1C[C@H](C(=O)N2CCC[C@H]2Cc2ccncc2)C1 2325794997 ZDXBYJMLIGQMGJ-JYJNAYRXSA-N 287.407 1.955 0 50 CDAA CC[C@H](C)C(=O)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 2325810821 HDYAQNMCCXPOPH-RYUDHWBXSA-N 290.363 1.423 0 50 CDAA O=C(CN1C(=O)c2cccc3cccc1c23)N1CCOCC1 470779 JPSPQVFCHMFBRK-UHFFFAOYSA-N 296.326 1.659 0 50 CDAA NCCNc1cccc2c(S(=O)(=O)O)cccc12 2169120 SJQRQOKXQKVJGJ-UHFFFAOYSA-N 266.322 1.457 0 50 CDAA in-vitro COc1ccc(C)cc1NC(=O)C(=O)NCc1ccccn1 2313904 XWVJYKJHKZJIDV-UHFFFAOYSA-N 299.330 1.654 0 50 CDAA COCc1nnc2n1[C@@H](C)C(=O)N(Cc1ccccc1)C2 2356157915 RXGAEYXCQZHJEM-NSHDSACASA-N 286.335 1.528 0 50 CDAA Nc1c(C(=O)NC2CCCCC2)nnn1-c1ccccc1 4984721 APXGEVROFRWVAC-UHFFFAOYSA-N 285.351 1.912 0 50 CDAA Cc1cccnc1CNC(=O)N[C@@H](C)c1cn(C)nc1C 171709934 HHSABIITIVGGBO-NSHDSACASA-N 287.367 1.992 0 50 CDAA CNC(=O)[C@H](NC(=O)CC[C@H]1CC[C@H](C)O1)C(C)C 225331597 DMLHDIKBAQXJSH-DMDPSCGWSA-N 270.373 1.221 0 50 CDAA O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC[C@H](Cn2ccnn2)C1 246411353 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1.284 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1CC(=O)O 262957568 NNAIVUKOBVEUQE-JOYOIKCWSA-N 293.367 1.606 0 50 CDAA CCc1cc(N2C[C@H](OC)C[C@H]2c2ncn[nH]2)nc(C)n1 284467888 FOAHZWNKQSFRER-NEPJUHHUSA-N 288.355 1.432 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCn1cccc1 284616904 OURYOICPWKZFNO-CHWSQXEVSA-N 288.351 1.116 0 50 CDAA CC(C)[C@@H](CC(=O)O)NC(=O)N(C)Cc1cscn1 136595085 RRJDTXLLHBHKIB-SNVBAGLBSA-N 285.369 1.784 0 50 CDAA Cc1cc(F)ccc1OC1(C(=O)O)CCN(CCN)CC1 82121092 RTBCZPAQPJKKOI-UHFFFAOYSA-N 296.342 1.391 0 50 CDAA CC(=O)c1cc(-c2nc(-c3ccc(C)nn3)no2)[nH]n1 82162068 ZLJGAERNCVECCU-UHFFFAOYSA-N 270.252 1.428 0 50 CDAA C[C@H](NC(=O)c1ccc2c(c1)C(=O)NC2=O)C(F)(F)F 288600218 MIQIPMCVWZQGAQ-YFKPBYRVSA-N 286.209 1.251 0 50 CDAA COC[C@@H](NC(=O)N1CCn2cncc2C1)c1ccco1 290924706 FSAVGKNEUKBZOC-GFCCVEGCSA-N 290.323 1.389 0 50 CDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCc1ccccn1 426379703 KNNOWCCMWCRDGL-CYBMUJFWSA-N 299.378 1.062 0 50 CDAA O=C(NCCN1CCCC1)c1ccc(-c2cncnc2)cc1 426383108 IVBHGARZDVPDEA-UHFFFAOYSA-N 296.374 1.969 0 50 CDAA COc1ccccc1O[C@@H](CO)[C@H](O)c1ccc(O)cc1 196731442 KQUCJPUVVALEHP-JKSUJKDBSA-N 290.315 1.874 0 50 CDAA CC(C)c1nc(CCNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)no1 426412395 LAMUDDYRLRYAEM-VHSXEESVSA-N 295.339 1.353 0 50 CDAA COCCN(Cc1nccs1)C(=O)C[C@H]1CCCOC1 426495569 DYTDZGAKVJAZLI-GFCCVEGCSA-N 298.408 1.935 0 50 CDAA CCc1cnc(NCCCN2CCC(O)CC2)nc1 95387052 ATAFSPOYTMOENH-UHFFFAOYSA-N 264.373 1.298 0 50 CDAA CCOC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 239439293 ZSEMMWQYRMVEAJ-URLYPYJESA-N 293.706 1.639 0 50 CDAA Cc1c(C(=O)N2CCCN(c3ncccn3)CC2)ccn1C 426388168 OIFVBXYXXWARKT-UHFFFAOYSA-N 299.378 1.476 0 50 CDAA COCC[C@@]1(CO)CCCN(c2nnc(C)s2)C1 91725547 KZKALISPPXFGRV-LBPRGKRZSA-N 271.386 1.462 0 50 CDAA COCc1noc(CNc2nc3c(s2)c(C)nn3C)n1 96150656 DHJOAHWQEMHMEO-UHFFFAOYSA-N 294.340 1.480 0 50 CDAA CN(CCn1ccnc1)C(=O)[C@H]1COc2ccccc2C1 91746188 YDLYOFLTBAVCBF-CQSZACIVSA-N 285.347 1.593 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)[C@H]1COc2ccccc2C1 95508576 HKPMWIJGDPQYJC-CQSZACIVSA-N 299.374 1.937 0 50 CDAA C[C@@H]1CN(c2ncnc3c2CCC3)C[C@@]1(O)C1CCC1 92027943 DEHQIORVXJOZNX-BZNIZROVSA-N 273.380 1.953 0 50 CDAA CN(C)c1cnn(Cc2nc3ccccc3n2C)c(=O)c1 95371005 UIIWKMQZLMRQKY-UHFFFAOYSA-N 283.335 1.244 0 50 CDAA CCC1=NO[C@H](CN(C)Cc2nnc(CC)o2)C1 244787641 QARGNQLSEHQDNT-JTQLQIEISA-N 252.318 1.619 0 50 CDAA C[C@H]1CN(C(=O)Cc2ccn(C)n2)c2cccnc2O1 181776850 YIQDYPFCALHSDY-JTQLQIEISA-N 272.308 1.172 0 50 CDAA CN(Cc1cscn1)c1cc([C@H]2C[C@@H](O)C2)ncn1 244723803 MHQOTMFEDHYBAD-JGZJWPJOSA-N 276.365 1.808 0 50 CDAA O=C(Nc1n[nH]c2c(Cl)cccc12)[C@@H]1CCCN1 182821204 ANVSNPTVLJOULF-VIFPVBQESA-N 264.716 1.907 0 50 CDAA Cc1c(C)[n+](C)c([C@@H](CC(=O)O)CC(C)C)n1O 524732431 CVDYIEHBHKAZCE-LLVKDONJSA-O 255.338 1.771 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCc1ccc(-n2cccn2)cc1 299753122 WXBDNUYFRGLPMD-ZIAGYGMSSA-N 299.330 1.252 0 50 CDAA Cc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1F 299753334 XVQHQIVWVWXUCB-VHSXEESVSA-N 251.257 1.471 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 299739378 NTUPSDCATRFZFZ-PWSUYJOCSA-N 274.368 1.553 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCCC2(CCNCC2)C1 534659640 OAHQDFKGMGAHTM-ZDUSSCGKSA-N 266.385 1.405 0 50 CDAA Cc1noc([C@@H](C)NC(=O)c2c3c(nn2C)CCCC3)n1 534673893 VFJAIEXZHYBRRO-MRVPVSSYSA-N 289.339 1.481 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)COc1ccc(C)c(C)c1 534634183 XPLSLXISHGVCKI-GJZGRUSLSA-N 293.363 1.602 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)NCCc1c(C)noc1C 264486199 WOOXGKSOCVXYLB-VXGBXAGGSA-N 252.314 1.375 0 50 CDAA O=C(CN1Cc2ccccc2C1)NC[C@@H]1CCOC1 534642485 VYHUHGVBNGMLRE-LBPRGKRZSA-N 260.337 1.155 0 50 CDAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1cncnc1 273551733 ALGIMAQJWUUNCR-UHFFFAOYSA-N 296.330 1.533 0 50 CDAA CN(C(=O)CCc1ccncc1)C1CCS(=O)(=O)CC1 299787498 MNISXXZXKYLPEI-UHFFFAOYSA-N 296.392 1.050 0 50 CDAA Cc1nnc(CN2CCC[C@H](c3cc[nH]n3)C2)s1 299767354 RAXQDVBAFGXNLH-JTQLQIEISA-N 263.370 1.949 0 50 CDAA CCCc1cnc(N[C@H]2COC[C@@H]2OCC)nc1 823350079 MRAHRQBUVFJCJS-RYUDHWBXSA-N 251.330 1.645 0 50 CDAA CN(C)CC(C)(C)NC(=O)CSCCN1CCCC1 823683192 MPTPTLPKRPZPTM-UHFFFAOYSA-N 287.473 1.272 0 50 CDAA O=C(NCCCC[C@@H]1CCCO1)C1CCOCC1 584899865 VQXDCMLZJAIDMI-CYBMUJFWSA-N 255.358 1.879 0 50 CDAA O=C(O)[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)[C@@H]1CC=CCC1 585134164 GIPFKQRQKRKPMG-MXWKQRLJSA-N 281.308 1.119 0 50 CDAA CN1CCN(CCCc2c(F)cccc2F)C[C@H]1CO 585136505 IMBYXTNIHAFCET-LBPRGKRZSA-N 284.350 1.506 0 50 CDAA NC(=O)C1(n2cnc3ccc(F)cc3c2=O)CCCC1 584891564 PWJRHLVNTCGBEW-UHFFFAOYSA-N 275.283 1.290 0 50 CDAA CO[C@H](C)C(=O)N1CCC(N2CCCCCC2)CC1 584896057 SPCIYEPMEATWIR-CYBMUJFWSA-N 268.401 1.888 0 50 CDAA O=C(CN1CCCC1)NCc1ccc(-c2ncon2)cc1 670457021 UHOWOSPCIVHQDV-UHFFFAOYSA-N 286.335 1.449 0 50 CDAA N[C@H]1CC[C@@H](C(=O)N2CCC(N3CCSCC3)CC2)C1 1565525651 CSCDKSLQKSKUIH-OLZOCXBDSA-N 297.468 1.154 0 50 CDAA O=C(CN1CCCCCC1)N[C@@H](CO)c1ccc(F)cc1 952965099 BRGFIWFCINBKAG-HNNXBMFYSA-N 294.370 1.851 0 50 CDAA CC(=O)Nc1c(Br)c(Br)nn1C 95217977 YILANIFFONMDAR-UHFFFAOYSA-N 296.950 1.904 0 50 CDAA in-vitro CCN(CC(=O)NC(C)(C)C)Cc1nnc(C)o1 170125596 HBTUOHPPTKAGEA-UHFFFAOYSA-N 254.334 1.115 0 50 CDAA CC(C)c1nnc(CCC(=O)N2C[C@@H](C)N(C)C[C@H]2C)o1 408071041 OTOPUEHCQIEJOJ-VXGBXAGGSA-N 294.399 1.677 0 50 CDAA C[C@@H](SCC(=O)N1CCCC1=O)C(=O)OC(C)(C)C 408515332 IERQONFBDFIBAB-SECBINFHSA-N 287.381 1.599 0 50 CDAA O=S(=O)(NCCc1ccccc1OC(F)F)C1CC1 190916916 IGGIXOOCYOPXFV-UHFFFAOYSA-N 291.319 1.912 0 50 CDAA CCc1ccccc1C(=O)N1CCC[C@]1(COC)C(N)=O 643940875 SPKUVWFWCPMSDF-INIZCTEOSA-N 290.363 1.356 0 50 CDAA O=C(NCCCOC(F)F)NCc1ccccn1 193278586 OAKCWTGAYMJQCH-UHFFFAOYSA-N 259.256 1.510 0 50 CDAA CN(C)c1ccc(C(=O)N[C@H]2CCNC(=O)CC2)cc1F 652443268 QZEQFCADSLBKIR-LLVKDONJSA-N 293.342 1.290 0 50 CDAA C[C@H](C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21)n1cccn1 653328057 CYRAPQSMCHLDNC-DDTOSNHZSA-N 299.330 1.874 0 50 CDAA CC[C@@H](CO)NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1 195571559 VKDZJVRCMXTFME-ILXRZTDVSA-N 292.379 1.834 0 50 CDAA CCc1ccnc(C(=O)N[C@H](Cc2ccncc2)C(=O)O)c1 655597553 SGOJXXMVNQZGEO-CQSZACIVSA-N 299.330 1.465 0 50 CDAA O=c1c2c(F)cccc2ncn1C[C@@]1(O)CCCOC1 656699335 SJAHUQXXAGUTTO-AWEZNQCLSA-N 278.283 1.077 0 50 CDAA O=C(NCCc1ccoc1)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 663228961 IKIFEPVDQUJGDZ-QWHCGFSZSA-N 292.335 1.018 0 50 CDAA CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1=O 665445756 QECPLQXZZHHLSI-MJBXVCDLSA-N 272.348 1.527 0 50 CDAA CO[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)C1 578835854 WWJRLWDLOBGLIQ-ODXJTPSBSA-N 294.395 1.304 0 50 CDAA Cn1c(C(=O)NCCc2ccccn2)cnc1Cl 585121475 QJJSLGUNOUFSMD-UHFFFAOYSA-N 264.716 1.441 0 50 CDAA NS(=O)(=O)C[C@H]1CCCCN1CCCc1ccccc1 585133644 OXSNASYYJZEHGW-OAHLLOKOSA-N 296.436 1.762 0 50 CDAA Cc1ncc(C(=O)NC[C@@H]2CCn3ccnc3C2)c(C)n1 681854845 DFHDTKNODNRIDT-GFCCVEGCSA-N 285.351 1.282 0 50 CDAA Cc1ccc(-n2[nH]nnc2=NC[C@@H](O)c2ccc(C)o2)cc1 741243470 POBIOIDTETWCFZ-CYBMUJFWSA-N 299.334 1.440 0 50 CDAA CC[C@@H](C)[C@@H](C(=O)NCCc1ccccn1)n1cnnn1 1615154978 AAPPJCYLBNQPAC-YPMHNXCESA-N 288.355 1.014 0 50 CDAA O=C(NCc1cccnc1O)[C@H]1CNCC12CCCCC2 1615544703 CKBSHSRIYJISGF-CYBMUJFWSA-N 289.379 1.573 0 50 CDAA CCOc1ccc(CN2CCC([C@H](O)CO)CC2)cn1 1772712449 MPAYAFQZBLSFST-CQSZACIVSA-N 280.368 1.046 0 50 CDAA Cn1c(=O)[nH]c(=O)c2[nH]c(-c3ccc(Cl)cc3)nc21 1067253 WMDPRCVEEUVGHO-UHFFFAOYSA-N 276.683 1.270 0 50 CDAA CC[C@H]1CN(CCn2cnnc2)CCN1C(C)C 1506410793 XKLNIJUKSIUOEA-ZDUSSCGKSA-N 251.378 1.083 0 50 CDAA Cc1cc(N2CCCN(CCc3nccn3C)CC2)ccn1 1506418295 GYGIWFSGYHXDMS-UHFFFAOYSA-N 299.422 1.878 0 50 CDAA COc1nccnc1NC[C@H]1CCCN1C(C)C 1506423099 UDAPIBCXZMTXIL-LLVKDONJSA-N 250.346 1.770 0 50 CDAA C[C@H]1c2cccn2CCN1c1nc(C(N)=O)cs1 1529196166 VVFNXWGDIYZOLH-QMMMGPOBSA-N 262.338 1.625 0 50 CDAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCCC1)OC2=O 167247 KHAQQYOKSWIJTM-KGLIPLIRSA-N 251.326 1.731 0 50 CDAA biogenic Cc1nc2ccc(CC(=O)N[C@H]3CC[C@H](N)C3)cc2[nH]1 213342661 ZKCIRFKEPKDUPC-RYUDHWBXSA-N 272.352 1.410 0 50 CDAA CN(C)CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 222131661 YADVVGQEKXDVJM-OLZOCXBDSA-N 294.326 1.014 0 50 CDAA CN(Cc1ccon1)[C@H]1CCN(C(C)(C)C)C1=O 425423450 UUSJWLIZIAWBNS-NSHDSACASA-N 251.330 1.506 0 50 CDAA C[C@@H](O)C[C@H]1CCCCCN1Cc1cn(C)nn1 235256707 BROGULXAPOOAFX-DGCLKSJQSA-N 252.362 1.331 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)c(Br)c1 12404765 COHBXPYCNSCGOQ-JTQLQIEISA-N 297.152 1.975 0 50 CDAA in-vitro CCCc1cnc(C)nc1N1CC[C@@H](CC(=O)NC)C1 1704300848 ACCVTQRUYLJLBL-LBPRGKRZSA-N 276.384 1.700 0 50 CDAA COc1ccc(C(=O)NCc2c(C)noc2C)nc1 360031140 CIRQYEHKWZPOTL-UHFFFAOYSA-N 261.281 1.625 0 50 CDAA CN1C[C@H](CN2CCC(C(C)(C)O)CC2)CCC1=O 1775979398 UWLOYFDFBLONKC-GFCCVEGCSA-N 268.401 1.338 0 50 CDAA CCc1nc(C)c(CN2C[C@H]3COC[C@@H]2CN(C)C3)[nH]1 1772704173 GLRCJGSUZKTNRV-STQMWFEESA-N 278.400 1.043 0 50 CDAA COc1ccc(Br)cc1CNc1nn[nH]n1 5911077 QPFHIUSYTNEZMH-UHFFFAOYSA-N 284.117 1.583 0 50 CDAA COc1ccc(-c2noc(CN3CCC[C@H](O)C3)n2)cc1 11816079 PEPCHXJQEUQNEY-LBPRGKRZSA-N 289.335 1.702 0 50 CDAA CCc1cc(=O)oc2cc(OCc3nn[nH]n3)ccc12 13115600 FFVSZRXZTNWTFS-UHFFFAOYSA-N 272.264 1.448 0 50 CDAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)Cc1cc[nH]n1 1857687760 CZRICRJGPLANNK-ZDUSSCGKSA-N 271.320 1.414 0 50 CDAA NC(=O)NC(=O)CSc1cc(-c2ccccc2)ncn1 11903057 NIXGEASVEORCAB-UHFFFAOYSA-N 288.332 1.431 0 50 CDAA CSCC[C@H](NC[C@@H](O)COc1ccccc1)C(=O)O 606654936 UFJICEQGDWXOCZ-YPMHNXCESA-N 299.392 1.222 0 50 CDAA Cn1cccc1C(=O)NCCOc1ccc(C(=O)O)cc1 538584197 FLCOYZUFDQTPAN-UHFFFAOYSA-N 288.303 1.532 0 50 CDAA CNC(=O)C[C@]1(O)CCCN(Cc2ncc(C3CC3)o2)C1 643817471 VQYQPQGZTVHYEQ-OAHLLOKOSA-N 293.367 1.015 0 50 CDAA CCCc1occc1C(=O)N1CCC[C@@](O)(CC(N)=O)C1 643999676 KZPPCKPSRVFLQB-OAHLLOKOSA-N 294.351 1.075 0 50 CDAA CCn1cc(C2CCN(C(=O)[C@@H]3CCC[C@@H]3N)CC2)cn1 237017081 WEKUEKQYHBWGQF-CABCVRRESA-N 290.411 1.736 0 50 CDAA COc1cccc2c1CCN([C@@H](C(=O)O)C1CC1)C2 568281545 OYRAYGIFSGDSOY-CQSZACIVSA-N 261.321 1.917 0 50 CDAA O=C(Nc1ccncc1)N1CCCN(C(=O)C2CC2)CC1 153092891 ILKCKTZPESHKJL-UHFFFAOYSA-N 288.351 1.558 0 50 CDAA CCc1nc(CN2C[C@H](C)C(=O)N(C)c3ccccc32)n[nH]1 363828864 RWMWHAVLGFNKBJ-NSHDSACASA-N 299.378 1.986 0 50 CDAA CC[C@@H](C(=O)O)N1CCO[C@@H](Cc2ccccc2)C1 263574845 OBMGGKGTIIYYQU-KBPBESRZSA-N 263.337 1.793 0 50 CDAA CN1CCC[C@@H](NC(=O)c2nnc(-c3ccns3)o2)C1 902816932 WPEFCVVMMIIFDV-MRVPVSSYSA-N 293.352 1.017 0 50 CDAA O=S(=O)(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cnc2cccnn12 1875298127 OXUXYIVXHFNCHP-OUAUKWLOSA-N 292.364 1.196 0 50 CDAA O=C(N1CCCC12Cc1ccccc1C2)C1(O)CC1 1875295343 HGXQRRDUZACKMA-UHFFFAOYSA-N 257.333 1.671 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H](Cn1cncn1)c1ccccc1 1875376050 XCOHDULLVPAPEI-PPYMECGQSA-N 299.378 1.253 0 50 CDAA CO[C@H]1C[C@@H]2C[C@@H](C(=O)N[C@@H]3CS[C@H](C(=O)O)C3)C[C@@H]21 1875300886 VAJHCWILLOYIEX-XFVKVHEMSA-N 299.392 1.122 0 50 CDAA O=C(c1csnc1Cl)N1CCc2nc[nH]c2C1 1875301481 KXKLCMNOWPIEOI-UHFFFAOYSA-N 268.729 1.718 0 50 CDAA Cc1cc(CN2CC(=O)N(CC3CCCC3)C2=O)no1 1875307593 FNIMIPHVQXLALQ-UHFFFAOYSA-N 277.324 1.937 0 50 CDAA Cc1ncc(CNC(=O)/C=C/CN(C)C)n1-c1ccccc1 1875375843 OTNNWSVUXDJHRE-JXMROGBWSA-N 298.390 1.915 0 50 CDAA CO[C@H]1CCN([C@H]2CCC[C@H]2NCc2ccon2)C1 886082482 FLOYXUUHIPRGAS-MJBXVCDLSA-N 265.357 1.406 0 50 CDAA CCC1CCN(S(=O)(=O)N2CC(c3cc[nH]n3)C2)CC1 1775991214 QJRZYJXPSLVPMD-UHFFFAOYSA-N 298.412 1.176 0 50 CDAA C[C@H]1CC[C@H](C(=O)NCCc2ccccc2C(=O)O)O1 155492016 NGOMZIVRKRIUQJ-GXFFZTMASA-N 277.320 1.611 0 50 CDAA O=C(Cc1cccc(O)c1)N1CC[C@@]2(CCNC2)C1 155594669 POAIAJQUHYNXEP-OAHLLOKOSA-N 260.337 1.147 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N1CCc2ccc(F)cc21 261894279 GXXQTRYPGSBGLH-RNCFNFMXSA-N 264.300 1.092 0 50 CDAA Cc1n[nH]c(C)c1CCCN[C@@H]1CCNC1(C)C 67756356 OKIKBJTWSHRQDW-CYBMUJFWSA-N 250.390 1.689 0 50 CDAA O=C(O)C1(O)CCN(c2nc3ccccc3s2)CC1 71524462 UCDHKUHMAJVVNC-UHFFFAOYSA-N 278.333 1.712 0 50 CDAA Cc1ncnc(C)c1C(=O)N[C@H](CC(=O)O)CC(C)C 426658405 OLUINBMTSASWPJ-NSHDSACASA-N 279.340 1.713 0 50 CDAA CNC(C)(C)c1cn(Cc2ncccc2Cl)nn1 641053482 IAJHEASCSRQOKA-UHFFFAOYSA-N 265.748 1.829 0 50 CDAA CC(C)(NC(=O)CCc1ccccc1Cl)c1nn[nH]n1 359800369 RDSTWVFTYCQWBJ-UHFFFAOYSA-N 293.758 1.837 0 50 CDAA C[C@](O)(CN1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 383298905 MUVZXKOEFIGQEJ-ULQDDVLXSA-N 274.408 1.955 0 50 CDAA COC(=O)c1nn(Cc2ccon2)c2ccccc12 15083644 KZKWOSVBGHNQTD-UHFFFAOYSA-N 257.249 1.859 0 50 CDAA O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H]2CNC[C@H]21 36265633 BIZCFAPIHJSXJJ-JOYOIKCWSA-N 286.784 1.322 0 50 CDAA O=C(O)[C@@H]1C=CCN1S(=O)(=O)c1ccc(C2CC2)cc1 2325765497 YPTZKBWDFNEOJS-ZDUSSCGKSA-N 293.344 1.578 0 50 CDAA CN(C(=O)C(C)(C)c1cccnc1)c1ncc(F)cn1 2325805672 BUUAFEHSPWWZHN-UHFFFAOYSA-N 274.299 1.951 0 50 CDAA O[C@]12CCCC[C@@]1(O)CN(c1ccc3cccnc3n1)CC2 2325809873 WOHGWENVZKEOBW-DLBZAZTESA-N 299.374 1.876 0 50 CDAA COc1ccc(CCNC(=O)N2CCOCC2)cc1OC 202556 VTTLYLPZQIOYQX-UHFFFAOYSA-N 294.351 1.288 0 50 CDAA Cc1ccc(-c2nc3c4cnn(C)c4ncn3n2)cc1 206075 JKEVJVXGJVFGBS-UHFFFAOYSA-N 264.292 1.986 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)O)C2)cc1 287849 HIMLZRXNJNAMFK-NWDGAFQWSA-N 297.376 1.917 0 50 CDAA CCN1CCO[C@@H](CC(=O)Nc2cccc(OC)c2)C1=O 540595 JSXRMDGHLBQTAW-ZDUSSCGKSA-N 292.335 1.271 0 50 CDAA CCOC(=O)C[C@@H](c1ccccc1)S(=O)(=O)O 2980547 NJMMWIZPCQINFU-JTQLQIEISA-N 258.295 1.569 0 50 CDAA Cc1nc(NC(=O)[C@H]2CC(=O)OC23CCCC3)ns1 2356169300 YPYICGXPQCDLDX-MRVPVSSYSA-N 281.337 1.661 0 50 CDAA C[C@H](NC(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)c1nncn1C 246040384 OVIVKPSIUNCUAK-LADJIXMOSA-N 275.356 1.220 0 50 CDAA COc1ccccc1OCC(=O)N[C@@H](C)[C@H]1CCCO1 6741184 IZAIHEFCVRLZQK-NWDGAFQWSA-N 279.336 1.758 0 50 CDAA CC(C)[C@@H]1NC(=O)N(c2ccc3ccc(=O)n(C)c3c2)C1=O 348695296 QKMOLXYAINOHPR-AWEZNQCLSA-N 299.330 1.619 0 50 CDAA CCN(C)[C@H]1CCN(C(=O)CCNC(=O)OC(C)(C)C)C1 225556805 MNEDCEQHFHJNRZ-LBPRGKRZSA-N 299.415 1.454 0 50 CDAA C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)NCc1ccccn1 225856771 NSBZJTGWPYPXSJ-CHWSQXEVSA-N 288.347 1.986 0 50 CDAA CC[C@H](C)[C@H](N=c1[nH]ccn2c(C3CC3)nnc12)C(=O)O 416398319 MNUIJBCBFAFTLO-WPRPVWTQSA-N 289.339 1.335 0 50 CDAA C[C@@H](O)CCN=c1nc(-c2ccsc2)c(F)c[nH]1 418875535 XCRDMRXMJJYKHZ-MRVPVSSYSA-N 267.329 1.949 0 50 CDAA O=c1c2ccccc2sn1CCN1CCOCC1 29401189 XCLXIIORZOTBSO-UHFFFAOYSA-N 264.350 1.395 0 50 CDAA Cn1cncc1CN1CC[C@@H](c2nc(C3CC3)no2)C1 344833960 QWGSDOVLBQHZJO-LLVKDONJSA-N 273.340 1.670 0 50 CDAA CNC(=O)[C@@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O 171916955 WPUUTFGOEUHWMM-HNNXBMFYSA-N 299.374 1.629 0 50 CDAA CCNC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 65362826 YTTXKHRXJVJVLT-LLVKDONJSA-N 284.381 1.286 0 50 CDAA O=C(CNCC1(CO)CCC1)NC1CCCCCCC1 65490758 DNSREEJQKBVPBR-UHFFFAOYSA-N 282.428 1.968 0 50 CDAA CNc1nc(C)c(C(=O)N2CC[C@@H](COC)C2)s1 20515543 GRBQBEWOCLINGX-SECBINFHSA-N 269.370 1.602 0 50 CDAA COC(=O)[C@H]1C[C@@H](O)CCN1CCOCc1ccccc1 65408902 ZJJNVWSUQGYAOT-LSDHHAIUSA-N 293.363 1.202 0 50 CDAA CC(C)(CCC(=O)O)NC(=O)CCc1cscn1 262663586 VABGLCMINLUSKP-UHFFFAOYSA-N 270.354 1.835 0 50 CDAA O=c1n(CCc2ccc(F)c(F)c2)nnn1C1CC1 351851562 WSTPFHFVNRGEOK-UHFFFAOYSA-N 266.251 1.296 0 50 CDAA CCc1cccc(NC(=O)CN2C[C@H](C)O[C@@H](CO)C2)c1 230014133 GLNADLSTWZBNDA-SWLSCSKDSA-N 292.379 1.269 0 50 CDAA CN1C[C@@H](C(=O)Nc2c(F)cccc2F)CC1=O 120650786 VIIRSRFFRUXNJW-ZETCQYMHSA-N 254.236 1.382 0 50 CDAA O=C(COCC1CC1)N1CCC[C@](O)(C(F)(F)F)CC1 376395917 PKMBBBVTQIMMBQ-GFCCVEGCSA-N 295.301 1.719 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 252177953 SJOPECHOQHDVMB-OUAUKWLOSA-N 268.357 1.911 0 50 CDAA C/C(=C\c1ccco1)CN1CCC(NS(C)(=O)=O)CC1 65370163 YRGXLFZNZQJIAS-ZRDIBKRKSA-N 298.408 1.697 0 50 CDAA COc1cc(C=O)cc(Cl)c1OC(=O)N1CCOCC1 28987 NGDBWJXPRWHXAT-UHFFFAOYSA-N 299.710 1.992 0 50 CDAA O=C1N[C@@](CO)(c2ccccc2)Nc2ccccc21 168806 YNMVIRAYJOOCBK-HNNXBMFYSA-N 254.289 1.687 0 50 CDAA COC(=O)c1ccc(CC(=O)c2c(O)cc(O)cc2O)o1 189368 RACMYKZFDHYXCE-UHFFFAOYSA-N 292.243 1.608 0 50 CDAA biogenic COC(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 407068 MJHNUUNSCNRGJE-UHFFFAOYSA-N 252.222 1.046 0 50 CDAA biogenic COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1N 1235074 JAHMDWDMCUHVDW-UHFFFAOYSA-N 250.254 1.554 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1 1482080 XPDVQPODLRGWPL-UHFFFAOYSA-N 270.093 1.683 0 50 CDAA biogenic,in-man O=C(C1CC1)N1CCc2c(ncnc2NC2CC=CC2)C1 71750018 KVGYXPXQPCKLFX-UHFFFAOYSA-N 284.363 1.902 0 50 CDAA CS(=O)(=O)C1(C(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)CCC1 329338760 NHEIGRLSBVKKQX-ZDEQEGDKSA-N 297.420 1.458 0 50 CDAA C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCC(N)=O 253417333 KJPNHIQEZNROHE-CKYFFXLPSA-N 285.388 1.095 0 50 CDAA NC(=O)c1cc(Cl)ccc1NCc1nnnn1C1CC1 359799983 OLKITYLSBRQWHC-UHFFFAOYSA-N 292.730 1.372 0 50 CDAA CC1(CNC(=O)C(=O)c2ccccc2)CCOCC1 216402843 CTNHUMFWXKBOHU-UHFFFAOYSA-N 261.321 1.802 0 50 CDAA CN(CCCO)C(=O)c1cccc(CC2CCNCC2)c1 72158468 DYYOUTHPNVDVLE-UHFFFAOYSA-N 290.407 1.683 0 50 CDAA O=C(NCCC1=CCNCC1)N1CCOC[C@@H]1C1CC1 333718064 UCIMUPVHBRCMIA-CQSZACIVSA-N 279.384 1.117 0 50 CDAA C[C@H]1CN(c2cc(NC3CC3)ncn2)CC[S@](=O)C1 334052401 SNVPGGBRDVHKIB-OVWNDWIMSA-N 280.397 1.256 0 50 CDAA CC1(C)CN(C[C@@H](O)COCC(F)(F)F)CCCO1 367929929 VAZZPPOBTISSQF-SNVBAGLBSA-N 285.306 1.427 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)nn1C(C)(C)C 334263203 JNDGDEKRMNXCJW-QWRGUYRKSA-N 283.347 1.491 0 50 CDAA COCc1nc(C)cc(N2CCC[C@H](C)[C@@H]2CO)n1 521398543 NCGHIGJDQNWMMA-JQWIXIFHSA-N 265.357 1.529 0 50 CDAA Cn1nccc1S(=O)(=O)N1CCC[C@@H]1c1cccnc1 369937579 BBFYHZYNSSDTRS-GFCCVEGCSA-N 292.364 1.341 0 50 CDAA O=C(N1CCC[C@@H](OCC2CC2)C1)C1(O)CCCC1 372359606 QCUQHIYQGYVLTD-CYBMUJFWSA-N 267.369 1.709 0 50 CDAA CN(Cc1cccc2ncccc12)C(=O)CN1CCOC1=O 77357138 SJMKJOSLEPSJDB-UHFFFAOYSA-N 299.330 1.645 0 50 CDAA CC(C)[C@]1(CO)CCN(C(=O)CNCC(F)(F)F)C1 378057127 VUCHZFSVXLAFSH-LLVKDONJSA-N 282.306 1.005 0 50 CDAA CC(C)n1cnnc1CN(C)c1ncnc2c1CCC2 77541518 SVPSNMXJWCNAOY-UHFFFAOYSA-N 272.356 1.774 0 50 CDAA Cc1ccc(N2CCN(C(=O)c3ccon3)CC2=O)cc1 376017599 QRZXSYXGAIFDLU-UHFFFAOYSA-N 285.303 1.472 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)Nc2ccncc2)[C@H]1OC 241587855 OXQFACBSTGOTIJ-QJPTWQEYSA-N 265.313 1.396 0 50 CDAA COCc1ccc(CN2C[C@H](F)C[C@H]2C(N)=O)cc1 284548630 GLYMEUIVXHFRPF-OLZOCXBDSA-N 266.316 1.231 0 50 CDAA O=C(NS(=O)(=O)Cc1ccon1)[C@@H]1C[C@H]2CC[C@H]1C2 245434539 RQRMHWFFNFNOOA-ATZCPNFKSA-N 284.337 1.057 0 50 CDAA COc1ccc(Cc2noc([C@H]3NCCO[C@@H]3C)n2)cc1 263310291 YMQROAUAMHRWFQ-YGRLFVJLSA-N 289.335 1.718 0 50 CDAA O=C(N[C@H]1CCNC1)c1cnc(-c2ccncc2)s1 178452852 ZFSWSQCZPWUQCY-JTQLQIEISA-N 274.349 1.297 0 50 CDAA C[C@H](C(=O)N1CC(c2ccccn2)C1)n1cccn1 426434996 TZCLMRLXUZJPCU-LLVKDONJSA-N 256.309 1.465 0 50 CDAA CCn1ccnc1CN1CCC[C@@H](CNC(C)=O)C1 195515334 QFXBVWKWPWVPGJ-ZDUSSCGKSA-N 264.373 1.251 0 50 CDAA COc1ccc(OC2(C(=O)O)CCOCC2)cc1 41947962 LQUBDKNCWTXVMD-UHFFFAOYSA-N 252.266 1.708 0 50 CDAA biogenic C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 194728831 UDEFAICGHRCHPH-VXGBXAGGSA-N 275.352 1.469 0 50 CDAA CCOc1cccc(-c2c(C)n(C)c(=O)n(C)c2=O)c1 426489620 KHMLWSJDQAAZNJ-UHFFFAOYSA-N 274.320 1.458 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)C[C@@H]1CCCOC1 426399072 RPPCKIGXPUEMLM-ZDUSSCGKSA-N 277.368 1.157 0 50 CDAA O=C(Nc1cccc(-n2cccn2)c1)c1cnccn1 47299164 FHEYADVPIHAPRY-UHFFFAOYSA-N 265.276 1.915 0 50 CDAA COCCN1C[C@H](Cc2ccc(OC)cc2)CC1=O 222639603 PYWAMLOPDGEIRQ-CYBMUJFWSA-N 263.337 1.733 0 50 CDAA Cc1cc(C(=O)NCCC[C@@H]2CCOC2)c(=O)n(C)c1C 426535217 RVFQXUNOUUILAC-CYBMUJFWSA-N 292.379 1.549 0 50 CDAA CN1CC[C@H](C(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1=O 143613344 ZBHXNTVUZJYTMG-BFHYXJOUSA-N 272.348 1.527 0 50 CDAA Cc1ccc2nc(C(=O)N(C)Cc3cnc(N)nc3)cn2c1 91859393 PDTWHDJJRSDGOJ-UHFFFAOYSA-N 296.334 1.287 0 50 CDAA COc1cc(F)c(C(=O)N(C)[C@@H]2CCNC2)cc1OC 179053935 SZYAJEWXRGUIJU-SECBINFHSA-N 282.315 1.277 0 50 CDAA O=C(N[C@H]1CCSC1)c1ccccc1-c1nnn[nH]1 97785069 GUMUHYIUTJCJES-QMMMGPOBSA-N 275.337 1.102 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 239296816 DLHQKRZBSZZUDC-FJJYHAOUSA-N 273.263 1.659 0 50 CDAA CNC(=O)C[C@H](C)N(C)c1nc2c(s1)c(C)nn2C 96138108 SPGHBRNKAZIARP-ZETCQYMHSA-N 281.385 1.299 0 50 CDAA CC(C)N1C[C@H](c2ccccc2)[C@@H](NC(=O)CCO)C1 91289286 ZDHVKAMYEWCYGI-CABCVRRESA-N 276.380 1.361 0 50 CDAA O=C1NCCCc2[nH]c(-c3ccc(-n4cccn4)cc3)nc21 95390546 DEHWSKOGQPPTOK-UHFFFAOYSA-N 293.330 1.938 0 50 CDAA O=C(NCCC(=O)N1CCCC1)c1cccc2nccnc12 97653996 JRAOLNZGMLGVPP-UHFFFAOYSA-N 298.346 1.372 0 50 CDAA Cc1nn(C)c2nc(NCC3(O)CCN(C)CC3)sc12 95517944 AVRLGUUPKRGEPK-UHFFFAOYSA-N 295.412 1.207 0 50 CDAA COC(=O)c1cc(NC(C)=O)ncc1Br 97756768 YTVDMLJPHCVWIO-UHFFFAOYSA-N 273.086 1.589 0 50 CDAA CCn1cncc1CN1CCC[C@@H](NC(C)=O)C1 244852522 UTXCLVPFEUDSHP-GFCCVEGCSA-N 250.346 1.004 0 50 CDAA N[C@H]1C[C@H](c2cc(NCCNc3cccnc3)ncn2)C1 244795733 RMQKIHSVNUJSCM-HAQNSBGRSA-N 284.367 1.600 0 50 CDAA NC(=O)[C@@H]1CC[C@@H]1C(=O)N=c1cc(-c2cccs2)o[nH]1 622123751 VUUPBFXBSHFNGO-SFYZADRCSA-N 291.332 1.275 0 50 CDAA CN(C(=O)CCc1cccs1)C1(C(N)=O)CCCC1 182393084 QPIZDIATJYYEAC-UHFFFAOYSA-N 280.393 1.937 0 50 CDAA C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1nccn1C 182877183 SXLYRSSNAGMECC-GFCCVEGCSA-N 287.367 1.825 0 50 CDAA Cc1ccc(CC(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)o1 540674350 OTYIHWZTPZRERV-GFCCVEGCSA-N 277.320 1.844 0 50 CDAA C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)CN 299739976 UIGOCNAEAOLZRH-UKRRQHHQSA-N 275.396 1.314 0 50 CDAA C[C@@H]1CN(C(=O)CC[C@@H](N)c2ccccc2)C[C@@H](C)N1 299739349 NNGBRDKTYSUVSJ-UMVBOHGHSA-N 275.396 1.675 0 50 CDAA Cc1ccnc(CC(=O)NCC2(N(C)C)CCCC2)c1 534584747 BLAFSRHZFOJZIE-UHFFFAOYSA-N 275.396 1.923 0 50 CDAA O=C(NC[C@@H]1CCNC[C@H]1O)C1CCCCCC1 534637073 ZWUFOMZXANUAQX-QWHCGFSZSA-N 254.374 1.043 0 50 CDAA Cn1c(-c2cc(=NCCO)[nH]cn2)cc2ccccc21 534583227 KSBAZXDBXKMNDW-UHFFFAOYSA-N 268.320 1.461 0 50 CDAA CC[C@@H](NC(=O)N1CCC2(CCO2)CC1)c1ccnn1C 534585558 USPBVVKBEGSRPM-GFCCVEGCSA-N 292.383 1.836 0 50 CDAA CCc1cc(N2CCC[C@@H]2C(=O)O)nc(N2CCCC2)n1 534587786 UNCHOIMAMHVBRR-GFCCVEGCSA-N 290.367 1.693 0 50 CDAA O=C(COCc1ccccc1)N[C@H]1CCc2c[nH]nc2C1 370422689 FYBQYBLOIWWOCE-AWEZNQCLSA-N 285.347 1.600 0 50 CDAA CC(C)(C)OC(=O)NC[C@H]1CCCn2ncc(C(=O)O)c21 381853815 YKSPYNGBYISAAG-SECBINFHSA-N 295.339 1.983 0 50 CDAA CNS(=O)(=O)CCCNC(=O)c1ccccc1Cl 629347861 MNOHQEYFVFLOIV-UHFFFAOYSA-N 290.772 1.009 0 50 CDAA Cc1cccnc1[C@H](NC(=O)CNC(=O)N(C)C)C1CC1 299785702 RLGAJKFRIJBUBF-CQSZACIVSA-N 290.367 1.229 0 50 CDAA CCCc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)no1 823009627 CNOUJFPBFYIFKH-GHMZBOCLSA-N 277.324 1.177 0 50 CDAA Cc1[nH]ccc1C(=O)Nc1ccc(Oc2nn[nH]n2)cc1 828147366 WXCUVUXAWNPTHX-UHFFFAOYSA-N 284.279 1.881 0 50 CDAA C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1cnnn1C 585134845 LVTGDIZJMGHJQX-TZMCWYRMSA-N 289.383 1.896 0 50 CDAA CCCc1ccc(OCCNC(=O)[C@@H]2C=CCN2)cc1 823010349 CNZRZTWRJVNKMS-HNNXBMFYSA-N 274.364 1.662 0 50 CDAA CCOC(=O)c1c(N)c2cccc3c2n(c1=O)CCC3 585158751 GKMYQNCEPFPGSS-UHFFFAOYSA-N 272.304 1.707 0 50 CDAA CSCC[C@@H](CO)n1cnc2ccncc2c1=O 584901078 MSHIXRDQAPRESA-VIFPVBQESA-N 265.338 1.078 0 50 CDAA O=C1CC[C@H](N2CCCN(c3ccccc3)CC2)CCN1 670434957 NQXKIVCHJDTBNW-INIZCTEOSA-N 287.407 1.867 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2cc(OC)ccn2)C1 584897427 XPKHQCZCOXFUSI-GFCCVEGCSA-N 278.352 1.979 0 50 CDAA C=CC(=O)N(C)CC(=O)NC[C@@H](C)c1cccc(C)c1 859547463 IZKCGMQYDCCECM-CYBMUJFWSA-N 274.364 1.859 0 50 CDAA CCC1=NO[C@H](CN2CC(n3nc(C)cc3C)C2)C1 244884255 YILBHJBLBVEOHL-AWEZNQCLSA-N 262.357 1.912 0 50 CDAA CC(C)(C)C(=O)NC[C@@H]1CCCN(c2cc(N)ncn2)C1 1548510281 VPKAOGPRYQGBAL-NSHDSACASA-N 291.399 1.438 0 50 CDAA CCN1CC[C@@H](CN(CC)C(=O)CCn2ccnc2C)C1 952981557 ISCWNFGIRWFMAZ-OAHLLOKOSA-N 292.427 1.772 0 50 CDAA CCOC(=O)[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 72267268 AAUQYAVYRMDOAX-ZANVPECISA-N 255.314 1.807 0 50 CDAA in-vitro C[C@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1F 268988109 QRYKSDKQPGVUPK-MFKMUULPSA-N 295.310 1.631 0 50 CDAA CC(C)(C)c1noc(CNC(=O)CCc2cn[nH]c2)n1 952968466 HDGKGDZEDYWWIV-UHFFFAOYSA-N 277.328 1.339 0 50 CDAA C[C@@H](Cc1ccsc1)NC(=O)Cn1cc(C(=O)O)cn1 630112076 XFOPIAWLKKAEBH-VIFPVBQESA-N 293.348 1.390 0 50 CDAA CCc1ncsc1C(=O)NCc1nnc(C)n1C 269751451 UWDLRNSZAURUMQ-UHFFFAOYSA-N 265.342 1.072 0 50 CDAA CO[C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630327947 BDQDQMMWKLKWSG-KPXOXKRLSA-N 263.293 1.848 0 50 CDAA C[C@H]1CCN(C(=O)CS(C)(=O)=O)c2c(O)cccc21 274418424 XHFGLYKXHHCIRB-VIFPVBQESA-N 283.349 1.277 0 50 CDAA O=C(NCCc1cccs1)c1c[nH]nc1[C@@H]1CCOC1 275305703 NUPYEMNTCWOQGG-SNVBAGLBSA-N 291.376 1.948 0 50 CDAA CN1CCN(C(=O)[C@H]2CC=CCC2)C[C@H]1c1nccn1C 276709909 PPYSCJJAKMOPRV-KBPBESRZSA-N 288.395 1.592 0 50 CDAA Cc1c[nH]nc1C(=O)N1CCO[C@H](C(C)(C)C)C1 408515780 HZSKOBSXVPVCIY-JTQLQIEISA-N 251.330 1.605 0 50 CDAA OCc1ccc(CNC[C@H]2CNc3ccnn3C2)cc1F 595146944 HKDCQGFFMFVOSI-LBPRGKRZSA-N 290.342 1.346 0 50 CDAA CC[C@H](C(=O)O)N1CCN(C(=O)CC2CCCCC2)CC1 191415489 PXCGBAFDKRTRRF-CQSZACIVSA-N 296.411 1.964 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1cccc(OCC(=O)O)c1 571685925 RJAVMKBVWLIAKY-IMSIIYSGSA-N 293.319 1.902 0 50 CDAA C[C@@H]1CC2(CCNCC2)CN1C(=O)c1ccnc(O)c1 574191341 GIZCIKWDKICPGV-LLVKDONJSA-N 275.352 1.391 0 50 CDAA COC[C@@H](NC(=O)c1ccc(C(=O)O)cc1)[C@H]1CCCO1 668302860 SMUIZUJUIHVXMQ-CHWSQXEVSA-N 293.319 1.309 0 50 CDAA CN1C[C@H](NC(=O)c2cn(C)cn2)CC[C@H]1C(F)(F)F 583620024 KBLQTVPMYXYIOE-SCZZXKLOSA-N 290.289 1.175 0 50 CDAA CCOc1cccc(CCNC(=O)c2cccn2C)n1 584907922 BICVEERBPMIONW-UHFFFAOYSA-N 273.336 1.791 0 50 CDAA COC[C@@H](NC(=O)[C@H](C)CSC)C1CCOCC1 585113346 RAYMCPCQWDRNEK-ZYHUDNBSSA-N 275.414 1.543 0 50 CDAA Oc1ccc2c(c1)CN(CC[C@@H]1COCCO1)CC2 1775976881 AYYKKRJGDONMGC-OAHLLOKOSA-N 263.337 1.556 0 50 CDAA Cc1ccnc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 100547240 RFUMBSXPMHJTPL-UKJIMTQDSA-N 272.304 1.851 0 50 CDAA CC(=O)N1CCC(NCCc2ccc(F)cc2)CC1 214057 QZTFWXJNAQEAIL-UHFFFAOYSA-N 264.344 1.969 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1cccc2cccnc12 218943504 LEDIMVPOYMCGRE-CHWSQXEVSA-N 272.304 1.114 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNc2nccnc2N(C)C)CC1 1506419560 FHKOMASTOXRHHW-HAQNSBGRSA-N 291.399 1.507 0 50 CDAA CC(C)n1ccnc1CN(C)C[C@H]1COCCO1 216377076 VUGPHUZAABNQFR-LBPRGKRZSA-N 253.346 1.311 0 50 CDAA CNc1ccnc(N2CC[C@@H](O)CC(C)(C)C2)n1 1506425925 IGVLRBNDDCOJBV-SNVBAGLBSA-N 250.346 1.506 0 50 CDAA c1[nH]nc2c1CN(C1CSCCSC1)CC2 1506413094 QSJIELCEJQWBSE-UHFFFAOYSA-N 255.412 1.616 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3ccc(C)o3)C[C@@H]2O)on1 1529161187 BDDVSGMKRDJCJM-DOMZBBRYSA-N 276.336 1.920 0 50 CDAA O[C@@H]1CCC[C@@]12CCCN(c1nnnn1-c1ccccc1)C2 1704337120 VWMHBYCOPARAMR-ZBFHGGJFSA-N 299.378 1.794 0 50 CDAA O=C(CCNC[C@@H]1CCCC[C@@H]1O)Nc1cccnc1 210110860 CBJPNZKIQNVLPG-JSGCOSHPSA-N 277.368 1.551 0 50 CDAA CCOC(=O)C1CCN(c2nc(C)cnc2C)CC1 759498 BTFDRDOCSDHYQF-UHFFFAOYSA-N 263.341 1.873 0 50 CDAA CC(C)(C)OC(=O)[C@@H](N)COCc1ccccc1 141764281 WXESUKBIGWUKFU-LBPRGKRZSA-N 251.326 1.872 0 50 CDAA COCCN1CC[C@@H](CN(C)c2cncc(C)n2)C1 1772700432 DTXFBBGIPFYUPJ-ZDUSSCGKSA-N 264.373 1.190 0 50 CDAA O=C(NC12CC3CC(CC(C3)C1)C2)N1C[C@H]2C[C@H](O)[C@H]2C1 1772815519 NCNLMVXNSBDTRW-XKFXPAEWSA-N 290.407 1.977 0 50 CDAA CN1C[C@H](CN2CCN(c3cccnc3)CC2)CCC1=O 1775979442 VHTWJNCWOBLPQC-CQSZACIVSA-N 288.395 1.072 0 50 CDAA COCc1cc(=O)nc(Nc2nc(C)c3ccccc3n2)[nH]1 18042136 CHQQSFFTTUPHPM-UHFFFAOYSA-N 297.318 1.912 0 50 CDAA biogenic O=c1sc2ccccc2n1CN1CCOCC1 19606574 MQWXFGYXAVKTCP-UHFFFAOYSA-N 250.323 1.353 0 50 CDAA CCCn1nccc1C=Cc1nc(O)c2cnn(C)c2n1 1857532536 RGTPLGOBGWPEPD-UHFFFAOYSA-N 284.323 1.846 0 50 CDAA Cc1cnc(CN(C)[C@H]2CCOC3(CCNCC3)C2)[nH]1 1857701348 SMUSAKBSFLLIKY-ZDUSSCGKSA-N 278.400 1.451 0 50 CDAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc2ccccc2c1 1875250200 FQIUCCJYLZWWAF-KLHDSHLOSA-N 299.326 1.097 0 50 CDAA C[S@@](=O)c1cccc(NC(=O)COC[C@@H]2CCCO2)c1 113183323 VWUZOANJXUNRCH-YUNKPMOVSA-N 297.376 1.558 0 50 CDAA COC[C@@H]1CCCN(C(=O)c2cc(C)nc(O)c2)CC1 332240802 UWWSXBIAJWALTN-GFCCVEGCSA-N 278.352 1.984 0 50 CDAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cccnc1C1CC1 332699990 AILRDXKXZKUVIQ-BXKDBHETSA-N 273.336 1.356 0 50 CDAA C[C@H](NC(=O)N1CC[C@@H](CN(C)C)C1)c1cnn(C)c1 130124615 USLCLKVVQRYRES-RYUDHWBXSA-N 279.388 1.074 0 50 CDAA COCC1(NC(=O)Nc2cnc(N(C)C)nc2)CCC1 252483104 DVBXLWBNPJZZLJ-UHFFFAOYSA-N 279.344 1.233 0 50 CDAA C[C@H]1COCCN(Cc2c[nH]nc2-c2cccnc2)C1 370051890 DZHTVQLKLCBZJN-GFCCVEGCSA-N 272.352 1.940 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(F)c(F)c1 913539435 VKHPJHREWDZWFP-PHIMTYICSA-N 266.291 1.883 0 50 CDAA Cn1ncc2cc(-c3ccc4nccn4n3)cnc21 1245470963 BJUSRBWEAQOZQU-UHFFFAOYSA-N 250.265 1.678 0 50 CDAA Cc1oncc1CN1CCc2nc[nH]c2C12CCOCC2 931108039 RPPJOJPOFNSYHO-UHFFFAOYSA-N 288.351 1.770 0 50 CDAA CC(C)(C)OC(=O)NCC12COC(C(=O)O)(C1)C2 1857783095 OVGCYKLTGSVMJV-UHFFFAOYSA-N 257.286 1.145 0 50 CDAA CCCN(CCC)C(=O)CN1C=NC2=N[C@H](C)CCN21 952882729 JAWJUGMHJXVKSA-GFCCVEGCSA-N 279.388 1.344 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(OCCO)cc2)[C@H](C)CN1C 952884885 OTDLDEAFNLYKHH-CHWSQXEVSA-N 292.379 1.222 0 50 CDAA CN(C)c1nccc2c1CCN(C(=O)NC1CC1)C2 1875280228 CAPZWEUPCZFLPJ-UHFFFAOYSA-N 260.341 1.378 0 50 CDAA CN(C)c1nc2ccccc2c(=N[C@@H]2CCNC(=O)CC2)[nH]1 1875287152 WRHHYGWYSKIIKZ-NSHDSACASA-N 299.378 1.198 0 50 CDAA CC[C@](NC(=O)CC1CCSCC1)(C(N)=O)C1CC1 1875261472 WSNDIPRWCCOKAV-CQSZACIVSA-N 284.425 1.680 0 50 CDAA O=C(C[C@@H]1CCCC(F)(F)C1)NC1(C(=O)O)CC1 1875292112 WYFNENAITSCZBN-QMMMGPOBSA-N 261.268 1.935 0 50 CDAA COC(=O)c1cc2cnn(C)c2nc1N1CCCC1 1875319760 QPGDQMCQESTEOA-UHFFFAOYSA-N 260.297 1.355 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 1875339704 UUNNSCRTVFCVBH-XQQFMLRXSA-N 259.305 1.869 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cnccn3)n[nH]c21 1875396684 QPIUBNVBEIMLJN-BDAKNGLRSA-N 287.323 1.152 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1onc2c1CCCC2 889187772 IQPRGULRGWGNLT-VXGBXAGGSA-N 280.324 1.087 0 50 CDAA Cc1cc([C@H]2CCCN2c2nc(N)nc(C3CC3)n2)no1 891701619 CMVIRCWIRPNCQI-LLVKDONJSA-N 286.339 1.969 0 50 CDAA CNc1cc(N2CC[C@@H](c3nc(C)no3)C2)ncn1 894065665 FEMCLYUEUJYASL-SECBINFHSA-N 260.301 1.204 0 50 CDAA Cc1nsc(-c2nc(-c3cnn(CCF)c3)no2)c1N 1775991067 OCCGKKDJFBFUIX-UHFFFAOYSA-N 294.315 1.917 0 50 CDAA CC1=C(C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)OC1(C)C 1776005949 RCFLRAIYWDDWBO-VIFPVBQESA-N 283.324 1.254 0 50 CDAA C[C@@H]1CN(C[C@H](O)COc2ccccc2)C[C@@H](C)O1 20295095 SMXAAYNAUFATPY-MCIONIFRSA-N 265.353 1.536 0 50 CDAA O=C([C@@H]1CC12CCNCC2)N(CCO)C1CCCCC1 70254055 QAAUOPYAPGHVKA-AWEZNQCLSA-N 280.412 1.530 0 50 CDAA O=C(c1ccc2ncsc2c1)N1CCOC[C@H](CO)C1 77541931 STMZWAQQFKZLDE-JTQLQIEISA-N 292.360 1.377 0 50 CDAA O=C(NC1(CCO)CC1)c1ccncc1Br 331909033 CSBKVQINGZKAHH-UHFFFAOYSA-N 285.141 1.489 0 50 CDAA CN(Cc1ccc2c[nH]nc2c1)C[C@H]1CCS(=O)(=O)C1 353797556 RIUKUCHUKYARHW-GFCCVEGCSA-N 293.392 1.429 0 50 CDAA CCc1nnc(NC(=O)CSc2nccn2C)s1 52214 GCLRSLVNKRPESK-UHFFFAOYSA-N 283.382 1.565 0 50 CDAA CN(C)N1C(=O)O[C@](C)(Cc2ccccc2)[C@@]1(C)O 1422377 HUZFNQLSBBOHRW-ZIAGYGMSSA-N 264.325 1.625 0 50 CDAA CC1(C)OC[C@H](CO)N1C(=O)OCc1ccccc1 34332601 APDPVSVYWSMCJA-LBPRGKRZSA-N 265.309 1.752 0 50 CDAA biogenic,in-vitro COC(=O)c1cc(C)nc(N2CC[C@@H](c3ncc[nH]3)C2)n1 2325760082 FWSYDYDRRUXVBN-SNVBAGLBSA-N 287.323 1.289 0 50 CDAA Cc1[nH]nc2ccc(C(=O)NC3CC4(CCNC4)C3)cc12 2325774900 DRHPUJKCPWWHHU-UHFFFAOYSA-N 284.363 1.743 0 50 CDAA O=C(N=c1cc2n([nH]1)CCCC2)c1cnc2c(c1)COC2 2325808207 FTYVOZWXFICGQX-UHFFFAOYSA-N 284.319 1.319 0 50 CDAA Cc1cc(C2CCN(C(=O)N[C@H]3CCOC3)CC2)on1 2325818198 HOXQPUCXEYIDFF-LBPRGKRZSA-N 279.340 1.661 0 50 CDAA O=C(N[C@@H]1CC[C@@H](c2nc(=O)o[nH]2)C1)C1CC2(CC2)C1 2325822047 ZQOQOCDIPWKCRZ-PSASIEDQSA-N 277.324 1.305 0 50 CDAA Cc1nc(CN(C)c2ccc3ncnc(O)c3n2)co1 2325865190 RBCAMVGXBYRCRT-UHFFFAOYSA-N 271.280 1.663 0 50 CDAA CN1C(=O)c2cccc(N[C@@H]3CCC[C@@H]3C(=O)O)c2C1=O 2325886091 LXDJNCHFXWQPOP-WCBMZHEXSA-N 288.303 1.578 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(F)c1 109992833 DNJQPCRPPFMDNR-UHFFFAOYSA-N 277.255 1.896 0 50 CDAA CC(C)Oc1ccc(CCNC(=N)NC(=N)N)cc1Cl 177177 QGLOSACVRFOWPU-UHFFFAOYSA-N 297.790 1.677 0 50 CDAA Cc1cc(C)n(CN2C(=O)c3ccccc3C2=O)n1 187435 ISQKDSNJYFVGGY-UHFFFAOYSA-N 255.277 1.754 0 50 CDAA CCCN1CCC(N2CCN(C(=O)OCC)CC2)CC1 221471 BGXUFIKTERNZCJ-UHFFFAOYSA-N 283.416 1.635 0 50 CDAA C[C@H]1CCCCN1C(=O)c1ccc(-n2cnnn2)cc1 421281 PDCJFIOYZABGAC-NSHDSACASA-N 271.324 1.677 0 50 CDAA O=C(Nc1ccc(F)c(F)c1)c1nc2ncccn2n1 923957 GKBGGQUQKCVGTQ-UHFFFAOYSA-N 275.218 1.655 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CCCCCC(=O)O)C(=O)O 2244137 WZVLJRPOVUCTFZ-SECBINFHSA-N 289.328 1.999 0 50 CDAA NC(=S)NNC(=S)Nc1ccc(Cl)cc1 3121866 AJHFPDZALJKOMN-UHFFFAOYSA-N 260.775 1.375 0 50 CDAA Cc1nc(C)c(-c2nnc3n2[C@H](C)C(=O)N(C2CC2)C3)o1 2356158181 DZIGBOLFAMYRER-MRVPVSSYSA-N 287.323 1.616 0 50 CDAA O=C(O)c1cccc(-c2cc(C(=O)O)ncc2C(=O)O)c1 4044291 NBVHLJGGHJLTGM-UHFFFAOYSA-N 287.227 1.843 0 50 CDAA biogenic O=C(NCCCNC(=O)c1ccco1)c1ccccn1 4487429 UHYBGPLJQBGUMY-UHFFFAOYSA-N 273.292 1.225 0 50 CDAA COc1c(Br)ccc2c1CC(=O)N2C 114515943 XGSREMVJXLXAHR-UHFFFAOYSA-N 256.099 1.977 0 50 CDAA CSC1(CN2CCC(C(=O)N(C)C)CC2)CC1 225418537 LKQPUUOCEJKZKV-UHFFFAOYSA-N 256.415 1.682 0 50 CDAA Cc1cc(N2C[C@@H](F)C[C@H]2CO)nc(C2CC2)n1 344086023 DGIVCKCQCRIPCC-QWRGUYRKSA-N 251.305 1.572 0 50 CDAA CC(C)n1cc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cn1 344717425 QRCVOAMXGTZKAB-XHSDSOJGSA-N 293.411 1.826 0 50 CDAA CC[C@@H](C)N(C)CCNC(=O)[C@H]1COc2ccccc2O1 248220565 HTBQDJJBNWYZOG-IUODEOHRSA-N 292.379 1.673 0 50 CDAA Cc1cc2nc(CN3C[C@@H](C(=O)O)CC3=O)[nH]c2cc1C 67740523 UUNHEAMGHLZKHZ-JTQLQIEISA-N 287.319 1.613 0 50 CDAA COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC1(F)F 39326160 WUFQXMSHYJFUIH-VIFPVBQESA-N 251.229 1.462 0 50 CDAA CCOC(=O)CN1CCC[C@@H](Cn2ccnc2)C1 67641961 NXGBFTFIQJRNAG-GFCCVEGCSA-N 251.330 1.158 0 50 CDAA COc1cc(N[C@@H](C)c2nnc(N)s2)ncn1 65452562 IIVWGIOANDTTIK-YFKPBYRVSA-N 252.303 1.092 0 50 CDAA CN(CC(=O)O)Cc1ccccc1CN1CCCC1 67672962 MXCWIKKWFKVCMZ-UHFFFAOYSA-N 262.353 1.799 0 50 CDAA CSc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 36142939 YRUOCQWPYBCGBU-UHFFFAOYSA-N 286.422 1.345 0 50 CDAA O=C(Nc1ccc(-n2cncn2)nc1)c1c(O)cccc1F 124564493 DMRPBZCVCQUNRD-UHFFFAOYSA-N 299.265 1.759 0 50 CDAA Cc1cc(O)ccc1C(=O)N1CCC2(CCC(=O)N2)CC1 216245549 JRPUSSIBSWXFRS-UHFFFAOYSA-N 288.347 1.585 0 50 CDAA Cn1cnnc1[C@@H]1CN(C(=O)CC2=CCCCC2)CCO1 328628936 OFBUGMNPBWPMFO-ZDUSSCGKSA-N 290.367 1.606 0 50 CDAA CCN1CCN(C(=O)[C@@H]2CCCOC2)C[C@@H]1c1ncc[nH]1 328621903 IBANIGQXAWOELH-CHWSQXEVSA-N 292.383 1.042 0 50 CDAA C[C@@H]1c2cccn2CCN1C(=O)c1ccnc2c1nnn2C 328735939 KXRLSCDGVOGJIN-SNVBAGLBSA-N 296.334 1.382 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N[C@]1(C)CCO[C@@H]1C 330816561 DLFNAOYWLJJSTR-IUODEOHRSA-N 279.384 1.653 0 50 CDAA O=C1NCC2(CCN(C(=O)Cc3cccs3)CC2)O1 74590174 NRDKWLIULAWJMK-UHFFFAOYSA-N 280.349 1.392 0 50 CDAA Cn1cc([C@]2(C)CN(C(=O)C3=CCCCO3)CCO2)cn1 366170856 HLXGPTBSABLQGW-HNNXBMFYSA-N 291.351 1.188 0 50 CDAA O=C(O)c1ccc(N2CC(c3ccncc3)C2)nc1 72121009 KTADYHXKTGPHOF-UHFFFAOYSA-N 255.277 1.779 0 50 CDAA Cn1nnnc1-c1cc(O)cc(CC[C@H]2CCCCN2)c1 71767519 HMAJALFUPRBBDI-CYBMUJFWSA-N 287.367 1.657 0 50 CDAA Cc1ccsc1S(=O)(=O)N1CC(=O)N(C2CC2)C1 333269052 HGEBKSLOZAQYKB-UHFFFAOYSA-N 286.378 1.009 0 50 CDAA CN(CC(=O)O)C(=O)c1ccc(F)c(COCC2CC2)c1 237170245 UJDYYSADDAFIQR-UHFFFAOYSA-N 295.310 1.909 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CCO[C@@H](CC(=O)O)C1 237411178 BKAPRZNBNMIOLF-KWQFWETISA-N 296.323 1.097 0 50 CDAA C[C@H]1C[C@H](NC(=O)c2ccc(CN)cc2)CN1C1CC1 237566003 WGURUHBBAVFDOY-FZMZJTMJSA-N 273.380 1.500 0 50 CDAA Cc1cc(CN2CCC3(CC2)OCCC[C@@H]3O)on1 215796636 GRAZMFGCCOIQOZ-ZDUSSCGKSA-N 266.341 1.489 0 50 CDAA COC(=O)C1(CNC(=O)c2coc(SC)c2)CC1 521396356 PPQJQKFPAIEYPN-UHFFFAOYSA-N 269.322 1.685 0 50 CDAA CCC(O)(CC)C(=O)N1CCC2(CCOCC2)CC1 71747568 KEASPXCSZYYJGJ-UHFFFAOYSA-N 269.385 1.957 0 50 CDAA OC1CC(c2cc(NCCN3CCCC3)ncn2)C1 219603916 BLOZNBYCQKDXSY-UHFFFAOYSA-N 262.357 1.223 0 50 CDAA COC[C@H](CN1CCN(c2ccccc2)CC1)OC 71771407 RIDXJEOOMOOKEG-HNNXBMFYSA-N 264.369 1.470 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1Cc1cccc(OC)c1OC 284563620 MNALYJNHSJOYPO-KBPBESRZSA-N 295.379 1.940 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)NCCc2ccccc2F)C1 284770068 KULDKCNQKIPETC-QWHCGFSZSA-N 296.342 1.159 0 50 CDAA O=C1NCC[C@@H]1N1CC2(CCC2)c2c(F)cccc21 336354186 SIMCYLCGUGYSMX-LBPRGKRZSA-N 260.312 1.956 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)N[C@@H](C(=O)O)C(C)C 263292923 XCMDWZKWNYQEKK-SECBINFHSA-N 266.297 1.699 0 50 CDAA c1cncc(CCN=c2cc([C@H]3CCOC3)nc[nH]2)c1 426627604 BWBUWPKMPDXOAD-ZDUSSCGKSA-N 270.336 1.452 0 50 CDAA Cn1nc(-c2ccc3[nH]ccc3c2)nc1N1CCOCC1 426387095 MNRLFASNMLQFQD-UHFFFAOYSA-N 283.335 1.800 0 50 CDAA CCc1nc(N2CCC[C@@H](N3CCCC3=O)C2)ncc1C 426628103 BHCKJTACTSPXGE-CYBMUJFWSA-N 288.395 1.939 0 50 CDAA C[C@@H](CN(C)c1cc(N2CCC[C@@H](C)C2)ncn1)C(=O)O 263550286 KFPRECHVYPIYAR-NEPJUHHUSA-N 292.383 1.870 0 50 CDAA NCC[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)CCO1 426491571 RVEHQQRCCUWVIP-CYBMUJFWSA-N 288.351 1.286 0 50 CDAA Cc1nnc(CC(=O)NC[C@H]2CCCN2CC(C)C)s1 612857547 UQSWZWTZGQRKJG-GFCCVEGCSA-N 296.440 1.626 0 50 CDAA COc1cc2c(cc1CNC(=O)c1cnc[nH]1)OCCO2 223869796 SKXJLMJSHIRRIZ-UHFFFAOYSA-N 289.291 1.120 0 50 CDAA COC[C@H]1CCN(C(=O)CCCn2cccn2)C1 223755415 NCPQVHGIRYBZPP-LBPRGKRZSA-N 251.330 1.158 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cncn2C)cs1 336401068 CXGCDADBKABWIF-SSDOTTSWSA-N 250.327 1.676 0 50 CDAA CCO[C@H](C)C(=O)NCc1nc(C)cc(C(F)(F)F)n1 426510595 GTXHJKOINWSWOO-MRVPVSSYSA-N 291.273 1.845 0 50 CDAA COc1ccc2c(c1)OC[C@H](CNC(=O)CSC)C2 91585985 IIKHXTVXROKDJK-JTQLQIEISA-N 281.377 1.726 0 50 CDAA COC[C@H]1CCCN1C(=O)c1ccccc1-c1nc[nH]n1 97785600 PYBKEEWXIBGSSP-LLVKDONJSA-N 286.335 1.723 0 50 CDAA Cc1ncc(C(=O)N2CC(N3CCCC[C@H]3C)C2)c(C)n1 97522299 LGCBIBIEXXNXRR-LLVKDONJSA-N 288.395 1.792 0 50 CDAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCN[C@@H](C)C1)C2 237534575 DUHHWFRJGUQNCE-AAEUAGOBSA-N 290.363 1.067 0 50 CDAA CC(C)c1n[nH]cc1C(=O)NC[C@@H]1CC[C@H](C)N1C 621983545 MFURSWHXCUEWIC-QWRGUYRKSA-N 264.373 1.746 0 50 CDAA CC(C)c1cc(Cn2ncn3cccc3c2=O)on1 95369974 HGPMUQAGDNORMP-UHFFFAOYSA-N 258.281 1.656 0 50 CDAA C[C@@H]1CN(C(=O)CCc2cc(Cl)no2)CC[C@]1(C)O 92078363 GBYNTGJGOWKVLP-RNCFNFMXSA-N 286.759 1.880 0 50 CDAA O=C(c1cncc(F)c1)N1CCC(c2ncc[nH]2)CC1 95512161 HSHIZYTZOKYGKL-UHFFFAOYSA-N 274.299 1.964 0 50 CDAA CCc1cnc(N(C)C[C@@H](C)N2CCOCC2)nc1 95391028 XFVLTBWPKQZMSW-GFCCVEGCSA-N 264.373 1.196 0 50 CDAA CCCn1ncc(C(=O)N2CCN[C@H](C)C2)c1C 91915244 ZEZYWJNKCXAZEZ-SNVBAGLBSA-N 250.346 1.035 0 50 CDAA COc1cccc(C(=O)[C@@H]2CCCN(CCC(N)=O)C2)c1 91663707 OLMOYPZYRWHIAB-CYBMUJFWSA-N 290.363 1.465 0 50 CDAA CCc1nc(N)sc1C(=O)N1CC(C)(C)[C@@](C)(O)C1 91808578 HGUHGYSABLKMSO-ZDUSSCGKSA-N 283.397 1.521 0 50 CDAA CNC(=O)[C@H]1CCCCN1Cc1nc2ccc(C)cc2[nH]1 244574837 CSDQAPJPHWRWNC-CQSZACIVSA-N 286.379 1.972 0 50 CDAA Cc1ncsc1CCN(C)CCn1cc[nH]c1=O 240499931 NPBBGKBHHUAUSD-UHFFFAOYSA-N 266.370 1.116 0 50 CDAA Cc1cccc2nc(N3CCOC[C@H](O)C3)sc12 296383218 UJCRDSYLDZVGDH-SNVBAGLBSA-N 264.350 1.802 0 50 CDAA COC[C@@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C1 244723543 MDMCGVRAAFVSDS-GFCCVEGCSA-N 287.363 1.990 0 50 CDAA Fc1cccc([C@@H]2CN(Cc3c[nH]nn3)CCO2)c1 297118703 MEWGYGICYQTLMB-ZDUSSCGKSA-N 262.288 1.517 0 50 CDAA O=C(NCc1ccncc1)c1csc2c1CCNC2 526055989 HSJWTGGXBIRFMU-UHFFFAOYSA-N 273.361 1.719 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@H]1CCOC1 299748497 HGIHSAMWIUHPBK-XQHKEYJVSA-N 281.352 1.657 0 50 CDAA Cc1ccc2c(c1)NC(=O)[C@@H]1C[C@@H](N(C)C)CN1C2=O 534632371 OSHSXEVHQOZGJZ-MFKMUULPSA-N 273.336 1.092 0 50 CDAA CNC(=O)c1ccc(CNC(=O)C[C@@H]2CC2(F)F)cc1 534644262 GZOJPTITNZBZNI-LLVKDONJSA-N 282.290 1.708 0 50 CDAA Nc1cnccc1-c1ccc(C(=O)N[C@H]2CCOC2)cc1 534649244 WUXAJQJOPQHBCB-ZDUSSCGKSA-N 283.331 1.850 0 50 CDAA CCCc1nc(=NC[C@@H]2CCN(CCC)C2)[nH]o1 534655486 ABTMMIFTYVREIB-NSHDSACASA-N 252.362 1.588 0 50 CDAA CCN(CC)CC1(NC(=O)c2c(C)ncn2C)CC1 534670932 REVOFRDKDKWGBA-UHFFFAOYSA-N 264.373 1.333 0 50 CDAA CCc1nn(C)c(NC(=O)N[C@@H](CO)C(C)C)c1CC 299777540 FEQVEAUOAXETKQ-LBPRGKRZSA-N 282.388 1.683 0 50 CDAA Cc1nc(CCN(C)C(=O)[C@@H](C)n2cc(Cl)cn2)no1 299794576 KWLAHKUGTPYPEA-MRVPVSSYSA-N 297.746 1.490 0 50 CDAA Cc1nccn1[C@H](C)CC(=O)NC(C)(C)C(=O)O 299775854 KKLJRQJRLJLNTP-MRVPVSSYSA-N 253.302 1.122 0 50 CDAA COCCn1cncc1CNC(=O)c1ncccc1C 299770464 UGENFRVUVYHYNV-UHFFFAOYSA-N 274.324 1.163 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@](C)(O)CO2 575447818 BVUYXBAWQFGQIX-ZDUSSCGKSA-N 271.357 1.927 0 50 CDAA CN(C)C(=O)c1cncc(NCCCC[C@H]2CCCO2)n1 823641989 MYVUQUGBKGQILE-LBPRGKRZSA-N 292.383 1.940 0 50 CDAA Cc1cccc(CNC(=O)[C@H](C)Cn2cncn2)c1C 827628014 KCHQNYLOFAIYLA-GFCCVEGCSA-N 272.352 1.847 0 50 CDAA C[C@]1(C(=O)O)CCCN1C(=O)c1ccc(C(=O)O)cc1 585135050 VNILDGCSCPCLKY-CQSZACIVSA-N 277.276 1.464 0 50 CDAA NC(=O)C1(NC(=O)c2ccc(CO)o2)CCCCCC1 584892553 WCUWUQCNKUMCOI-UHFFFAOYSA-N 280.324 1.080 0 50 CDAA Cc1nc(=N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)s[nH]1 585132736 QYPJZZSXLLMJNA-MNOVXSKESA-N 299.783 1.428 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 741193900 ZKEQPXLAFGSMFR-LLVKDONJSA-N 278.356 1.172 0 50 CDAA CCc1nccn1CCC(=O)NCc1ccnc(C)c1 670458829 DPVDAEDSXOIRHE-UHFFFAOYSA-N 272.352 1.855 0 50 CDAA O=C(Nc1cn[nH]c1)[C@@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 682358538 HRGZOQHKCXFILG-LURQLKTLSA-N 275.230 1.704 0 50 CDAA O=C(c1cnccn1)N1CCCC[C@@]12CCCOC2 1341093803 GJKVFXVBUCXZQN-AWEZNQCLSA-N 261.325 1.652 0 50 CDAA CC1=C(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)OCCO1 952989401 CZOCTYVWJCOOOM-GFCCVEGCSA-N 288.303 1.464 0 50 CDAA Cc1cc(N)n(CC(=O)NCCOc2ccc(F)cc2)n1 952966971 LOFWEYRKOSMVSQ-UHFFFAOYSA-N 292.314 1.108 0 50 CDAA Cc1nc(C)c(C(=O)N(C)CCN(C)C2CCCC2)[nH]1 952969606 ONSSZLMZKTUQQW-UHFFFAOYSA-N 278.400 1.973 0 50 CDAA CNc1nc(N2C[C@H](C)[C@@](O)(C3CC3)C2)ncc1F 1565508374 PZAJHMAJKTUUFX-ISVAXAHUSA-N 266.320 1.255 0 50 CDAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2nccn2C)C1 952986987 DAMKJRRXICGQSC-MRXNPFEDSA-N 285.347 1.462 0 50 CDAA COC(=O)CNC1(CC(=O)OC(C)(C)C)CCOCC1 408524606 WFJKBDIKKAVDIH-UHFFFAOYSA-N 287.356 1.030 0 50 CDAA CCOCCN(C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O 408524519 VGHCFYOCGDRQJB-JHJVBQTASA-N 254.374 1.402 0 50 CDAA O=C(CO[C@@H]1CCCc2c[nH]nc21)NCc1ccco1 170603565 SZXLRUJRVZWEEW-GFCCVEGCSA-N 275.308 1.713 0 50 CDAA Cc1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)c(C)n1 185446438 BNEPMAPZAQGBPA-HNNXBMFYSA-N 291.351 1.722 0 50 CDAA C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CCCNC1=O 630030710 SQZPEXCIBGQCBX-BYCMXARLSA-N 286.375 1.952 0 50 CDAA c1ccc(-c2cc(NC3CCNCC3)n3ncnc3n2)cc1 630550244 XTBFBNDAXHNKFG-UHFFFAOYSA-N 294.362 1.955 0 50 CDAA Cc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)no1 275349281 UMNTWNOFYJJRMW-ONGXEEELSA-N 291.311 1.368 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](CN)CC(F)(F)C1 91692688 PZRLKSYZJHAEEK-QMMMGPOBSA-N 250.289 1.837 0 50 CDAA in-vitro O=C(N[C@@H](C(=O)O)C(F)(F)F)OCc1ccccc1 95642217 JBNIYYRTJUAMKZ-QMMMGPOBSA-N 277.198 1.928 0 50 CDAA in-vitro CC1=CCC[C@@H](C)[C@H]1CNCCN1CCCS1(=O)=O 134160181 MBTVBUMDCMJNJM-KGLIPLIRSA-N 286.441 1.604 0 50 CDAA COc1ccc(CCS(=O)(=O)[C@@H]2CCO[C@H]2C)cc1 191056935 CHXBCBXCDFZJPU-SMDDNHRTSA-N 284.377 1.830 0 50 CDAA CNc1ncnc2c1cnn2C[C@H](O)c1cccc(OC)c1 193755212 RHRMMDCINYWZJR-ZDUSSCGKSA-N 299.334 1.610 0 50 CDAA CCO[C@H](CNC(=O)c1ccnn1C)c1ccccc1 194140809 WNGFXOJBRXKGLE-CQSZACIVSA-N 273.336 1.928 0 50 CDAA O[C@@H](Cc1ccccc1)Cc1cn(C2CCNCC2)nn1 656456605 FOSNDBGVYJIGQQ-INIZCTEOSA-N 286.379 1.349 0 50 CDAA Cc1nccc([C@H]2CCCN(Cc3cn(C)nn3)C2)n1 677761291 KUBNKYKPLYMEGO-LBPRGKRZSA-N 272.356 1.293 0 50 CDAA CCS[C@@H]1CCCCN(C(=O)CCc2nn[nH]n2)C1 585131955 KONUBHMTWPRLTF-SNVBAGLBSA-N 283.401 1.267 0 50 CDAA O=C(NC1([C@@H]2CCNC2)CC1)c1ccnn1C1CCCC1 1616035805 HPKQMUGSRYTZCH-GFCCVEGCSA-N 288.395 1.870 0 50 CDAA Cc1cc(C[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2O)on1 1529125968 FSLNFOMDUDJUGF-QAPCUYQASA-N 298.386 1.986 0 50 CDAA Cc1noc(CN(C)[C@H]2CCOC3(CCNCC3)C2)n1 1857672626 IJNVGHPNJHZQBD-LBPRGKRZSA-N 280.372 1.111 0 50 CDAA COCc1nsc(N2CC[C@H](O)CC(C)(C)C2)n1 649497195 GJEIUICMOXKWQK-VIFPVBQESA-N 271.386 1.672 0 50 CDAA COC(=O)c1cc(Br)cc(C(=O)O)c1 14984994 QIXJVAGZPJKDGY-UHFFFAOYSA-N 259.055 1.934 0 50 CDAA in-vitro CO[C@@H]1CCCN(CCOc2cccc(C(=O)O)c2)C1 230268025 RXAXVMXEZUFEDM-CQSZACIVSA-N 279.336 1.874 0 50 CDAA COc1cc(C)nc(N2CC[C@](CO)(C(C)C)C2)n1 377976676 KVNMDAWIAYVKRB-AWEZNQCLSA-N 265.357 1.638 0 50 CDAA O=S1(=O)CCC2(CC1)OCCN2Cc1ccccc1 1775971045 NCTOZNAQTPMEGF-UHFFFAOYSA-N 281.377 1.424 0 50 CDAA CC[C@H](C(=O)O)N1CCCN(C(=O)C2CCCCC2)CC1 1772818914 ATOXUKVBKHHGHB-CQSZACIVSA-N 296.411 1.964 0 50 CDAA CO[C@@H](C)CN1CCC[C@@H](Cc2noc(C)n2)C1 248427569 OTPPTLOLDXYZLM-JQWIXIFHSA-N 253.346 1.667 0 50 CDAA CNC(=O)c1c(C)c2cc(OC)ccc2n1CCN(C)C 5798687 FNJJSMVVLHLREG-UHFFFAOYSA-N 289.379 1.880 0 50 CDAA CC(C)NC[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O 11879739 PZLMEMMAJILFCE-MRXNPFEDSA-N 294.370 1.677 0 50 CDAA O=C(O)[C@@H]1CCN(c2ccc(Br)cc2)C1=O 11890964 PHJMARYQKJGPKG-SECBINFHSA-N 284.109 1.887 0 50 CDAA O=C(Cc1ccccc1Br)NCCO 169825272 HZOSIHSERGVSCS-UHFFFAOYSA-N 258.115 1.100 0 50 CDAA Cc1cccnc1C[C@H](C)NC(=O)c1nc(Cl)n(C)n1 1857694671 UEUGKZWABVKNBA-VIFPVBQESA-N 293.758 1.533 0 50 CDAA O=C(NC1CCCCC1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857731032 IFMPPYFLGIXYDY-DSJMHWKBSA-N 294.395 1.500 0 50 CDAA O=C(O)Cc1cccc(-c2ccc([C@@H]3CNC(=O)C3)cc2)n1 1875251539 RXMKCICMVSFDHJ-ZDUSSCGKSA-N 296.326 1.979 0 50 CDAA COC(=O)c1ccc(N2C[C@H](C3CC3)O[C@H](C)C2)nc1 408517066 DJRDLJYNBKAMMY-ZWNOBZJWSA-N 276.336 1.872 0 50 CDAA O=C(O)CNC(=O)CN1CCC[C@H](c2ccccc2)CC1 225568909 NWWIVLLOPWZONU-AWEZNQCLSA-N 290.363 1.457 0 50 CDAA O=S(=O)(c1ccc(Br)s1)n1cccn1 2602244 MLRBBGFHILYDBK-UHFFFAOYSA-N 293.167 1.944 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 630156785 ODWQELQXARTPAQ-SKDRFNHKSA-N 279.723 1.913 0 50 CDAA CC[C@H]1CN(c2ncnc3n[nH]cc23)C[C@H](CC)O1 643194760 WMILKHOYIWBDPG-UWVGGRQHSA-N 261.329 1.747 0 50 CDAA COc1ccc(CC(=O)N2CC[C@@H](C(=O)O)C2)c(Cl)c1 237175342 CYWRLKVNDOXFTB-SNVBAGLBSA-N 297.738 1.824 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 238100732 XGELLIVJUOTPHJ-LBPRGKRZSA-N 285.303 1.419 0 50 CDAA Cc1ccncc1[C@H](C)NC(=O)N1C[C@H](F)C[C@H]1CO 681985367 XKHZKTYWLDTVGT-TUAOUCFPSA-N 281.331 1.565 0 50 CDAA Cn1nccc1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 156203174 APENHRJTIUUHDP-VIFPVBQESA-N 290.289 1.034 0 50 CDAA Cc1nn(C)c(NC(=O)c2cnc3c(c2)c(C)nn3C)c1C 264525261 QOMICKVNNLFDNN-UHFFFAOYSA-N 298.350 1.879 0 50 CDAA CCn1ncc(C(=O)N2CCC[C@@H]2c2cc(C)no2)n1 815025624 WQKRYCPJKIRCJQ-LLVKDONJSA-N 275.312 1.572 0 50 CDAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccccc3)C[C@@H]12 1704325927 OQAKBBFPSXFEQJ-NVXWUHKLSA-N 288.391 1.605 0 50 CDAA COC[C@@H](C)n1ccc(NC(=O)C23CC(C(=O)O)(C2)C3)n1 910653953 FQYRCFHGPBPTPY-BZFQTPOWSA-N 293.323 1.284 0 50 CDAA CCNC(=O)C1(CNC[C@H](O)c2ccc(F)cc2)CCC1 819260461 SSSPOWKRDRJUGW-AWEZNQCLSA-N 294.370 1.755 0 50 CDAA CC(C)N1CC[C@@H](N(C)C(=O)c2cn(C)nc2Cl)C1 837193579 WJLAFSGOOTWWHA-SNVBAGLBSA-N 284.791 1.628 0 50 CDAA Cc1cccc(Cl)c1C(=O)N[C@H](CO)c1cnn(C)c1 857476946 SXAUNEILSNDPSE-GFCCVEGCSA-N 293.754 1.845 0 50 CDAA Cc1nnc(C[C@@H]2CC[C@H](NC(=O)c3ccnn3C)C2)o1 952890947 OJHQNLOSVUMDGE-MNOVXSKESA-N 289.339 1.253 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)N[C@@H](C)c1nn(C)cc1O 1875286567 WAKAWCKPBXTOHW-ZETCQYMHSA-N 290.323 1.791 0 50 CDAA Cc1c(CNC(=O)[C@H]2CCC[C@@H]3CCCN32)cnn1C 1875268799 DZHMOBPAMORGPU-ZIAGYGMSSA-N 276.384 1.362 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cnc2[nH]ncc2c1 1875277000 VMPUDRJUCQVCPI-SKDRFNHKSA-N 273.340 1.300 0 50 CDAA Cc1cc(C)cc([C@@H](N)C(=O)N(C)Cc2ccc(=N)[nH]c2)c1 1875304355 IDSRPKBQSGSNTE-MRXNPFEDSA-N 298.390 1.769 0 50 CDAA CN(Cc1nc(O)n[nH]1)C(=O)C1(C2CCC2)CCC1 1875369799 IYYOMTJPPGYHIW-UHFFFAOYSA-N 264.329 1.439 0 50 CDAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@H]3CCCS3)[C@@H]2C1 1875306011 PKQKBUUWTOIJPC-RCZSTQMZSA-N 269.366 1.498 0 50 CDAA C=CC(=O)N[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 1875366790 ZOKSTYYCYWNGRI-MFKMUULPSA-N 276.311 1.790 0 50 CDAA O=C(Nc1cccc(Cn2cccn2)c1)N1C[C@H]2C[C@@H]1CO2 1875301911 VSHCTCTWUWMSCL-HUUCEWRRSA-N 298.346 1.936 0 50 CDAA C[C@]1(c2ccccc2F)C[C@@H]1C(=O)NS(C)(=O)=O 1875390976 CZKNZQFMNBJWDI-BXKDBHETSA-N 271.313 1.179 0 50 CDAA NC1=CCN(C(=O)CCSCc2ccccc2)N1 887556404 MGQXMALEZXLTMR-UHFFFAOYSA-N 263.366 1.457 0 50 CDAA COCc1ncc2c(n1)CCN(Cc1cnn3c1CCC3)C2 895416943 IGZDIGYLZVXDNR-UHFFFAOYSA-N 299.378 1.324 0 50 CDAA O=C(CCc1cccc(O)c1)NCCCn1ccnn1 1775998028 QMJGNPPBUBLTGO-UHFFFAOYSA-N 274.324 1.123 0 50 CDAA Cn1cncc1C(=O)NCc1c(C(=O)O)[nH]c2ccccc12 1776003185 FFCJUGJSGPLALC-UHFFFAOYSA-N 298.302 1.530 0 50 CDAA Cc1nc(CNC2(C(=O)N(C)C)CC2)sc1C 411916221 VFWRCJCQBGMHRK-UHFFFAOYSA-N 253.371 1.470 0 50 CDAA COc1cccc(CN2CCC[C@]3(CCNC3)C2=O)c1 72129071 VTPTWGWEHMYESO-MRXNPFEDSA-N 274.364 1.797 0 50 CDAA OCC[C@@H]1CCCN(c2cnc(Br)cn2)C1 309424865 CWDBUBRMPLWZJE-VIFPVBQESA-N 286.173 1.838 0 50 CDAA CN(C)S(=O)(=O)CCCN1CC(Oc2ccccc2)C1 670444393 UKBFZNRALQGUBP-UHFFFAOYSA-N 298.408 1.031 0 50 CDAA O=C(O)[C@@H]1CSCCN(C(=O)c2cccc(O)c2)C1 910145905 FSBLOHQLPAMEKM-JTQLQIEISA-N 281.333 1.282 0 50 CDAA COc1ccc(S(=O)(=O)NCc2ccncc2)cc1 831023 WCWXWAXHCRDKBZ-UHFFFAOYSA-N 278.333 1.569 0 50 CDAA COC(=O)c1nnn2c1CO[C@H](c1ccccc1F)C2 643919599 IGZILOHTNMODML-NSHDSACASA-N 277.255 1.475 0 50 CDAA CC1(C)CC(=O)NC[C@H]1Nc1cccc(CCCO)c1 2325803734 YIJXIDDEGPLOSI-CQSZACIVSA-N 276.380 1.938 0 50 CDAA Cc1c(C(=O)O[C@H]2CCN(C3CCC3)C2=O)cnn1C 869341619 ZRARGZMXRSHQOK-LBPRGKRZSA-N 277.324 1.039 0 50 CDAA COc1cc(OC)nc(-c2ccc(C(=O)O)cc2)n1 154359 ARKCVXXCSBFGDT-UHFFFAOYSA-N 260.249 1.859 0 50 CDAA O[C@@H]1C[C@@H](O)CN(Cc2nc(-c3ccccc3)cs2)C1 2356165044 QCDVKYFSTYEVIU-CHWSQXEVSA-N 290.388 1.738 0 50 CDAA OC[C@@]12COC[C@@H]1CN(c1nc(-c3ccccc3)no1)C2 2356169230 XKZHGMOQGTZTJT-WFASDCNBSA-N 287.319 1.182 0 50 CDAA CCc1cccc(OCCOCCNCCO)c1 3002208 FMHFOTPBFLXABQ-UHFFFAOYSA-N 253.342 1.226 0 50 CDAA COC(=O)C1=C(Nc2ccccc2N)CSC1 4074872 MZNQGWQFHCDTHP-UHFFFAOYSA-N 250.323 1.855 0 50 CDAA C[C@@H](SC1=NS(=O)(=O)c2ccccc21)C(=O)O 4207098 WCKZNZVNQVLTCS-ZCFIWIBFSA-N 271.319 1.342 0 50 CDAA CCc1ccc(OC)c(S(=O)(=O)n2ccc(C)n2)c1 4993009 ZTGSBLSBFDNOPM-UHFFFAOYSA-N 280.349 2.000 0 50 CDAA 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C[C@]1(C(=O)O)CCN(C(=O)/C=C/c2ccccn2)C1 237779358 DCJYMPQUOCZXOH-GJBLVYBDSA-N 260.293 1.418 0 50 CDAA COC[C@@H]1CCN(C(=O)c2cncc(Cl)c2)C1 218841283 LAUUYRXIBKKIQC-SECBINFHSA-N 254.717 1.844 0 50 CDAA CC[C@H]1COCCN1C(=O)Cc1c(C)noc1C 77487348 ZUBDEDDMSJGWHX-NSHDSACASA-N 252.314 1.471 0 50 CDAA O=C1OCCN1c1ccc(-c2noc(C3CC3)n2)cn1 495399591 YULMOLGWFXRXQD-UHFFFAOYSA-N 272.264 1.966 0 50 CDAA COC[C@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 215667065 HOTJCNFDKOGNBQ-LBPRGKRZSA-N 264.373 1.401 0 50 CDAA COC[C@@H]1CN(Cc2cccc(OC)n2)CC(C)(C)O1 284426141 AASVNUQHWNGPES-ZDUSSCGKSA-N 280.368 1.716 0 50 CDAA O=C(NC[C@@H]1CCOC1)c1cnc2ccccc2n1 41373629 YVZUIZOEHPSPFM-JTQLQIEISA-N 257.293 1.396 0 50 CDAA O=S(=O)(c1cccnc1)N1CC(c2cccnc2)C1 72127105 HGMSOHNJLTZRIY-UHFFFAOYSA-N 275.333 1.265 0 50 CDAA CC(C)[C@@H](O)C1(CN[C@@H](C)c2ccc(=O)[nH]n2)CC1 286124452 NTXVVQNTRNADLK-GXFFZTMASA-N 265.357 1.218 0 50 CDAA CCNC(=O)N1CC[C@H](NC(=O)c2occc2C(C)C)C1 285275129 MYZAXSXKNFNPLH-NSHDSACASA-N 293.367 1.937 0 50 CDAA 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1.185 0 50 CDAA O=C(NC[C@@H](O)c1ccsc1)c1c[nH]nc1C1CC1 184503896 KZQJCDRWWWSRAW-LLVKDONJSA-N 277.349 1.812 0 50 CDAA CC(C)CN(CC(=O)O)C(=O)c1ccn(C(F)F)n1 534656113 JQDGKUCZLSPJDA-UHFFFAOYSA-N 275.255 1.461 0 50 CDAA C[C@@H](NC(=O)CCCN1CCOCC1)c1cccnc1 828000515 ULWZRRMRJJWWGO-CYBMUJFWSA-N 277.368 1.371 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(Cc3ccc4cc[nH]c4n3)C[C@H]21 584898918 MLUDYLXWVWMWPY-GDNZZTSVSA-N 257.293 1.325 0 50 CDAA CN(C)[S@@](C)(=O)=NC(=O)COc1cc(F)cc(F)c1 585137349 UFSXCHSPZVTQJG-IBGZPJMESA-N 292.307 1.445 0 50 CDAA Cc1ncn(C)c1C(=O)NCc1cc(CC(C)C)no1 584888174 PRRMITCMJAIGIR-UHFFFAOYSA-N 276.340 1.845 0 50 CDAA COc1ccc2nc(CN[C@H](C)CS(C)(=O)=O)[nH]c2c1 584903868 NWEOFILGEGTEAP-SECBINFHSA-N 297.380 1.094 0 50 CDAA CCCOC[C@H]1CCN(C2CCN(C(C)=O)CC2)C1 670463634 MXTOBDVPRBOYRK-AWEZNQCLSA-N 268.401 1.746 0 50 CDAA COc1ccc2nc(CNC(=O)[C@H](C)SC)[nH]c2c1 670441960 AXYAGXLCJRTITH-QMMMGPOBSA-N 279.365 1.939 0 50 CDAA Cc1nc(C)c(C(=O)NCCSc2nc[nH]n2)s1 670460198 XYRRCHYWYSXFLC-UHFFFAOYSA-N 283.382 1.400 0 50 CDAA C[C@@H]1OCC[C@@H]1c1nnc(NC[C@@H]2CCOC2)o1 1353896453 KXNIKAZSHRBVHD-GUBZILKMSA-N 253.302 1.410 0 50 CDAA CCC[C@@H]1SCCN1C(=O)Cc1nnc(N)s1 1548647301 FLFCMWCFSCYJMA-VIFPVBQESA-N 272.399 1.364 0 50 CDAA Cc1nn(CCC(=O)O)c(C)c1NC(=O)C[C@H]1CCCO1 630331120 HRSKKRYCOVGXEQ-LLVKDONJSA-N 295.339 1.482 0 50 CDAA Cc1noc(CN2CC[C@H](OCc3c(C)noc3C)C2)n1 546585918 WKRLNWFXTCLQCD-LBPRGKRZSA-N 292.339 1.774 0 50 CDAA COc1cccc(-c2cn(CCN3CCCC3)nn2)n1 630618362 WMLMWCHYLPPYJX-UHFFFAOYSA-N 273.340 1.445 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)NC[C@H]1CCCS1 548388226 XAULBKLZPROQFH-VXGBXAGGSA-N 294.424 1.640 0 50 CDAA COc1ccnc(N2CC[C@H](OCc3ccncc3)C2)n1 301781198 IZXYGCDAXPTLRF-ZDUSSCGKSA-N 286.335 1.676 0 50 CDAA CC(C)[C@H]1C[C@@H]1C(=O)NS(=O)(=O)CC1CCC1 408478480 JHKNMWGMEJQTBY-MNOVXSKESA-N 259.371 1.525 0 50 CDAA CO[C@@H](C)[C@H](C)NC(=O)c1ccc(N(C)C)cc1 188300618 JWXALSOJVNIEDJ-QWRGUYRKSA-N 250.342 1.906 0 50 CDAA COC[C@H]1CN(C(=O)c2csnc2C)C[C@@H](C)O1 188506413 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HEXNYTNQVHBZNV-LLVKDONJSA-N 296.333 1.946 0 50 CDAA O=C(/C=C/c1cncc(O)c1)N1CCn2ccnc21 1648424955 FKHWYVMHXJVZFZ-OWOJBTEDSA-N 256.265 1.044 0 50 CDAA CCc1ncc(S(=O)(=O)N2C[C@@H]3C[C@@]3(CC)C2)[nH]1 1772815929 DAWOEGFWPWTKIL-CABZTGNLSA-N 269.370 1.393 0 50 CDAA COC1(OC)CC[C@@H]1NCc1ccn2ccnc2c1 1775993797 VVGICWCINKYKFW-LBPRGKRZSA-N 261.325 1.575 0 50 CDAA CC[C@]12COC(=O)N1CCN(Cc1nnc(C)s1)C2 1857694388 ACGDOORMCTUGTD-LBPRGKRZSA-N 282.369 1.263 0 50 CDAA CCS(=O)(=O)c1ccc(N2CC[C@@H](C)[C@@H](O)C2)cc1 228025471 IZRSLZQRORUENT-RISCZKNCSA-N 283.393 1.687 0 50 CDAA Cc1noc([C@@H]2CCN(S(=O)(=O)c3ccco3)C2)n1 408032433 XBVZOIQGRURRCV-SECBINFHSA-N 283.309 1.149 0 50 CDAA CN(CC1(C)COC1)C(=O)c1ncc(F)cc1F 628683033 OVYFFAFYYQPZSA-UHFFFAOYSA-N 256.252 1.468 0 50 CDAA CC(C)(C)n1cnc(C(=O)NC(C)(C)C(C)(C)CO)n1 331141030 XCIMLNLNLPFOHM-UHFFFAOYSA-N 282.388 1.560 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)NCc2ccno2)c1 335902221 VNHTXLPFYSUUQY-UHFFFAOYSA-N 270.285 1.601 0 50 CDAA COC(=O)c1cc(I)ccn1 12471455 HSNLSLNACLYWKJ-UHFFFAOYSA-N 263.034 1.473 0 50 CDAA in-vitro CCCn1c(C)nnc1CN(C)Cc1cnn(C)c1 132285949 QPMUGRKBODDJDS-UHFFFAOYSA-N 262.361 1.362 0 50 CDAA C[C@@H]1N(Cc2nc(N(C)C)no2)CCC12CCOCC2 375614866 SNTSSRDQGSHEGR-NSHDSACASA-N 280.372 1.527 0 50 CDAA CCNC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 13710923 RYZMUCHWHZNJFS-GFCCVEGCSA-N 284.381 1.367 0 50 CDAA O=C(COc1ccccc1F)NCc1cccnc1 16602370 CXFPUCCUAHUHNS-UHFFFAOYSA-N 260.268 1.916 0 50 CDAA Cn1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O 17945683 LKNAECIOHCXEMJ-UHFFFAOYSA-N 291.332 1.217 0 50 CDAA OCCN1CCN(CCSc2ccccc2)CC1 19805213 KFOJYYHUMVFMGT-UHFFFAOYSA-N 266.410 1.389 0 50 CDAA CC(C)OB1OB(OC(C)C)OB(OC(C)C)O1 169809090 IZEVWCPYYXBRCQ-UHFFFAOYSA-N 257.697 1.280 0 50 CDAA O=C(N[C@@H]1CCCOC12CCNCC2)c1ccc[nH]1 1857690094 WAAYCYBVEZGDBR-GFCCVEGCSA-N 263.341 1.046 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N(C)Cc2nc(=O)o[nH]2)CC(C)(C)C1 630030649 JYLKGKXZGWVSPR-NXEZZACHSA-N 281.356 1.784 0 50 CDAA NC(=O)c1ccnc(-c2ccc([C@@H]3CNC(=O)C3)cc2)c1 1875245721 NKYIQDDOAODWJY-ZDUSSCGKSA-N 281.315 1.451 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2-c2cccn2C)C1 601045879 ZOEPLKJDSVIIPC-SECBINFHSA-N 260.297 1.019 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccccn2)[C@H]2C=C[C@H]1CC2 101459525 PHPVKNRANYSRPG-IMIFBBOLSA-N 286.331 1.611 0 50 CDAA CC(C)(C)OC(=O)N[C@H](Cc1ccc(CO)cc1)C(=O)O 2541542 CLRXKBZFTMLYOD-GFCCVEGCSA-N 295.335 1.699 0 50 CDAA in-vitro CC(C)N1CC[C@H](NC(=O)c2ccc(C(=O)O)cc2)C1=O 236832416 ABFBGOFHIKUFBY-LBPRGKRZSA-N 290.319 1.124 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@H]2[C@H]1C(=O)O 252515500 KMDJCCBSGFKRFR-SFGNSQDASA-N 269.297 1.286 0 50 CDAA in-vitro COc1ccc(CN=c2nnc(C)c(C)[nH]2)cc1C(=O)O 578631074 PAVGWNUZIBLFHK-UHFFFAOYSA-N 288.307 1.229 0 50 CDAA O=C(C[C@H]1CCCCC(=O)N1)Nc1ncccc1O 369184518 QXKBGKDUEZBKRX-SECBINFHSA-N 263.297 1.175 0 50 CDAA Cc1ccc(S(=O)(=O)Cc2cnn(C)n2)cc1 585088422 IHQGEEJCRHJVOL-UHFFFAOYSA-N 251.311 1.097 0 50 CDAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CCNC(C)C)CC2 161890591 CFVXIRSNAVAVEC-ZIAGYGMSSA-N 298.427 1.153 0 50 CDAA CO[C@H](C)c1noc(CN(C)C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)n1 267119911 JQMGDFHGTSOHLO-RHYQMDGZSA-N 291.351 1.948 0 50 CDAA O=C(O)c1ccc(CN2CCCn3nncc3C2)cc1F 903622772 IUHNWJOHCPBYEM-UHFFFAOYSA-N 290.298 1.521 0 50 CDAA Cc1cc(N(C)C(=O)c2cnc(N(C)C)cn2)ccn1 904287585 VEKMIZVNHMHWSZ-UHFFFAOYSA-N 271.324 1.523 0 50 CDAA CCn1nc(C)c(CN2CCC[C@@H]2c2ccnn2C)n1 932260387 IVRKDFIVOLDKON-CQSZACIVSA-N 274.372 1.677 0 50 CDAA O=C(N[C@H]1CCC[C@H]1Oc1cn[nH]c1)c1ncccc1F 952849598 XKIWGYJFKJUDEL-NWDGAFQWSA-N 290.298 1.674 0 50 CDAA O=C(N=c1cc[nH][nH]1)Nc1ccc(Cn2ccnc2)cc1 1875263461 GWMKVEYQSFFHAW-UHFFFAOYSA-N 282.307 1.720 0 50 CDAA C[C@@H](C(=O)Nc1ccc2c(=O)[nH]ccc2c1)[C@H]1CCNC1 1875287761 YJKRLNCGWATCCI-PWSUYJOCSA-N 285.347 1.712 0 50 CDAA COC(=O)CCN(C(=O)N1CCCC1)c1cccc(C)n1 1875378735 CZMYQZWPOLIUQC-UHFFFAOYSA-N 291.351 1.975 0 50 CDAA Oc1ncnc2ccc(OC[C@@H]3C[N@]3CC3CC3)cc12 1875383848 BLNBNZMIXCANHS-VOJFVSQTSA-N 271.320 1.808 0 50 CDAA COC[C@H]1C[C@@H](O)CN1Cc1c(Cl)cncc1Cl 878805984 VTVHBTATIMXNBE-RKDXNWHRSA-N 291.178 1.970 0 50 CDAA COc1ccccc1-c1cn([C@@H]2COC[C@H]2OC)nn1 899726130 ZVBNSZWQLLNBNW-TZMCWYRMSA-N 275.308 1.540 0 50 CDAA CCOC(=O)C(C)(C)c1csc(CN2CCOCC2)n1 252500353 SSVXEGGJHHFUSH-UHFFFAOYSA-N 298.408 1.816 0 50 CDAA C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(F)cc1N 311891115 WIRNIPWDLPJXDQ-ONGXEEELSA-N 266.316 1.783 0 50 CDAA CSCC[C@H](NC(=O)c1cc(C)nc(O)c1)C(=O)O 426374206 MALUNJCTNOSPBP-VIFPVBQESA-N 284.337 1.032 0 50 CDAA C[C@H](C[C@@H]1CCC(=O)N1)NC[C@H]1CCOC(C)(C)C1 926557016 FKBHZDYYWXTCIJ-AGIUHOORSA-N 268.401 1.838 0 50 CDAA O=C(c1cccc(Cl)c1)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 215379378 PDUNDYBTBITXDA-VWUVDNNOSA-N 295.766 1.544 0 50 CDAA CC[C@@]1(C)COCCN1C(=O)[C@@H]1CC[C@H](C(=O)OC)C1 408465195 GTCJPZKEJJTFEK-XUJVJEKNSA-N 283.368 1.603 0 50 CDAA OC1(Cn2ccnn2)CCN(c2ccnc(Cl)c2)CC1 2325713632 JTQNCFIZWHEEGC-UHFFFAOYSA-N 293.758 1.358 0 50 CDAA COc1cnc(NC(=O)Nc2c[nH]nc2C2CC2)cn1 2325757027 VYWNKQKXVCOFAJ-UHFFFAOYSA-N 274.284 1.730 0 50 CDAA Cc1cc(CNC(=O)c2cccc([S@](C)(=N)=O)c2)no1 2325874566 RRJHFMIWVIBHQX-HXUWFJFHSA-N 293.348 1.948 0 50 CDAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc2c(c1)OCO2 758765 UDWUZYHOHIMANA-JTQLQIEISA-N 289.287 1.466 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1C 807565 LPHNCWKKAZSYLQ-UHFFFAOYSA-N 299.392 1.723 0 50 CDAA COC[C@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C 30984 APWGJZFMESDRMA-LBPRGKRZSA-N 271.382 1.925 0 50 CDAA COCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 2774245 JQRNJIHDGBPJJS-VIFPVBQESA-N 257.717 1.870 0 50 CDAA CC(C)n1ncc(=NC(=O)[C@H]2CC(=O)OC23CCCC3)[nH]1 2356140015 QBRBMVSVAPMIAS-SNVBAGLBSA-N 292.339 1.095 0 50 CDAA CCOc1ccc(NC(=O)C(=O)N(CC)CC)cc1 2961592 JRXLBBXVSPGJOE-UHFFFAOYSA-N 264.325 1.892 0 50 CDAA Cc1cc(O)nc(CN=c2nc(C)c(C)c(C)[nH]2)n1 2356156634 LCGLCCMJCZOYFX-UHFFFAOYSA-N 259.313 1.240 0 50 CDAA Cc1cccc(N2CCN(C(=O)c3ccnn3C)CC2)c1C 6698651 MKRRUOUBIAWSAO-UHFFFAOYSA-N 298.390 1.999 0 50 CDAA O=C(CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)NC1CCCC1 227218961 IDJBXICUPBBSFP-UBHSHLNASA-N 294.395 1.763 0 50 CDAA COc1cc(Br)cc2cnc(=O)[nH]c12 115841524 HVFYLIKECNEGDI-UHFFFAOYSA-N 255.071 1.694 0 50 CDAA Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1CC[C@@H](N)C1 67723910 DBVTWLCWYDMNCP-GHMZBOCLSA-N 262.357 1.518 0 50 CDAA C[C@@H](c1ccncc1)N(C)C(=O)c1nnc2n1CCCC2 20911639 MMHKFSRWNWZKJT-NSHDSACASA-N 285.351 1.843 0 50 CDAA CCc1cc(-c2nccn2CCN2CCOCC2)[nH]n1 67757450 SCXCKIGZJVRHPX-UHFFFAOYSA-N 275.356 1.168 0 50 CDAA Cc1cccc(-c2ncc(CN[C@@H](C)CO)cn2)c1 63848738 SEMIFCOHTLDWNU-LBPRGKRZSA-N 257.337 1.922 0 50 CDAA Cc1c(-c2ncc[nH]2)c(=O)n(-c2ccccc2)n1C 67919997 RVHJIRJFSYZJKU-UHFFFAOYSA-N 254.293 1.875 0 50 CDAA Cc1cccc(C(=O)NC(=O)Nc2cc(C)[nH]n2)c1 1422778 ZTXALMGSEPLEJS-UHFFFAOYSA-N 258.281 1.988 0 50 CDAA Cc1c([C@H](C)NC(=O)OC[C@@H]2CCCO2)cnn1C 253415557 GNWZIQGWTICHRO-ONGXEEELSA-N 267.329 1.695 0 50 CDAA CCN(CC(=O)OC)S(=O)(=O)c1ccc(C)cc1 4868710 NROUBYOFDVMXBV-UHFFFAOYSA-N 271.338 1.179 0 50 CDAA C[C@@H](c1nnc(O)[nH]1)n1ccnc1-c1cccc2nonc12 71745972 QYQQIFOQMBHBSO-ZETCQYMHSA-N 297.278 1.519 0 50 CDAA CCC[C@@H](NC(=O)c1c(Cl)c(C)nn1C)C(=O)NC 216198082 XWEIMZBMZWSSLK-MRVPVSSYSA-N 286.763 1.026 0 50 CDAA CCOC(=O)CN1CCN(c2ccccc2OCC)CC1 37078886 RWESDAOFEQSRME-UHFFFAOYSA-N 292.379 1.770 0 50 CDAA COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 71609806 NZGOSPJWFBSVFT-IUCAKERBSA-N 259.302 1.184 0 50 CDAA O=C(O)CC1(NC(=O)CCCn2cccn2)CCCCC1 218112275 CHHQQBHNHOKVHK-UHFFFAOYSA-N 293.367 1.957 0 50 CDAA CCc1nccn1CCCNC(=O)CN(C)C1CCCC1 219926888 ZCZVQMPYPRAIKC-UHFFFAOYSA-N 292.427 1.826 0 50 CDAA Cc1cc(C)cc([C@@H](O)CNC(=O)Nc2ccncn2)c1 282617857 JGMBUNLZDGOEMT-ZDUSSCGKSA-N 286.335 1.949 0 50 CDAA CC(C)(C)OC(=O)NCCC[C@H](N)[C@@H](O)C(F)(F)F 34537888 UHEFDJGMLCIEND-JGVFFNPUSA-N 286.294 1.542 0 50 CDAA O[C@H]1COCCN(C2CCN(Cc3ccccc3)CC2)C1 77320757 OFVCMANMBHJEQI-QGZVFWFLSA-N 290.407 1.344 0 50 CDAA COc1cccc([C@@H]2CCN2C(=O)c2ccc(=O)n(C)c2)c1 216348111 QWDXCUVMADJNTN-HNNXBMFYSA-N 298.342 1.981 0 50 CDAA COC(=O)[C@H]1CCCCN1CCO[C@H]1CCCCO1 157261986 ULJYZCUBWDOYIL-OLZOCXBDSA-N 271.357 1.557 0 50 CDAA Cc1cc(F)ccc1[C@H](O)CN1CCO[C@]2(CCOC2)C1 372198079 WCMOAABAFFJQCW-HZPDHXFCSA-N 295.354 1.659 0 50 CDAA O=C(Cc1cccc(F)c1)N[C@H](C(=O)O)[C@H]1CCCOC1 262813430 OZGBGPDQAYGHOV-FZMZJTMJSA-N 295.310 1.364 0 50 CDAA CC[C@@H]1CN(C(=O)C[C@H](C)NC(=O)C2CCCC2)C[C@H]1O 332310508 KFEJVZXQNGPIJZ-OUCADQQQSA-N 296.411 1.301 0 50 CDAA CCn1cnc2c(N[C@@H]3CCc4n[nH]cc4C3)ncnc21 374214760 XTLXZKHXDMVFDY-SNVBAGLBSA-N 283.339 1.539 0 50 CDAA CC(=O)NCCCN1CC[C@@H](O)c2ccccc2C1 374949472 HEMUHRGYUDEFHC-OAHLLOKOSA-N 262.353 1.452 0 50 CDAA CCc1nn(C)c(Cl)c1CN1CC[C@H]2CNC[C@H]21 77342089 JQMALAQEWJEKPQ-JOYOIKCWSA-N 268.792 1.430 0 50 CDAA O=C(CC[C@@H]1CCC(=O)N1)NC[C@H]1CCCCC1(F)F 333029478 BMBGHIVRFCFYGA-GHMZBOCLSA-N 288.338 1.987 0 50 CDAA CC(C)n1[nH]cnc1=NC(=O)NC[C@@H]1CCOC(C)(C)C1 333303251 JDOBMFJPGRFVAX-LLVKDONJSA-N 295.387 1.608 0 50 CDAA CNCC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 237192468 TYKUFCTYEUVOKF-YGRLFVJLSA-N 250.317 1.955 0 50 CDAA Cc1nc(C(C)C)ccc1CN1CCN(C)S1(=O)=O 333557882 QEFHVTVRNPLRBP-UHFFFAOYSA-N 283.397 1.506 0 50 CDAA CN(C[C@H]1CCCN1C)C(=O)Nc1cn(C)nc1C1CC1 333815289 GMMOIEXNKXDWHO-GFCCVEGCSA-N 291.399 1.855 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 237889002 CHBVKLNZILPMTA-ARFHVFGLSA-N 293.455 1.981 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)c1ncccc1C 135712425 YHSGALVUNXCIGT-SNVBAGLBSA-N 250.298 1.763 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](N2CCCCCC2)C1 237908550 CPSSXBMUORADFB-OWCLPIDISA-N 293.455 1.981 0 50 CDAA COc1c(C)cc(C(=O)N2CCOC[C@H]2C(=O)O)cc1C 263236491 DAILATGXSVZJCX-LBPRGKRZSA-N 293.319 1.238 0 50 CDAA Cc1nc(N)sc1-c1nc([C@H]2CCOC2)no1 87804159 YFMSZFLCNWOPTF-LURJTMIESA-N 252.299 1.588 0 50 CDAA Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 222347930 LZFKGFXHFPNEEJ-LPWJVIDDSA-N 269.300 1.746 0 50 CDAA Cn1nccc1[C@H]1CCCN(C(=O)c2cnn(C3CC3)c2)C1 529289609 HIQYVZSPMFIADO-LBPRGKRZSA-N 299.378 1.971 0 50 CDAA CO[C@@H](C1CC1)[C@H](C)NC(=O)c1ccc(C(N)=O)cc1 456611430 VXIRRCBSWFFDIO-TVQRCGJNSA-N 276.336 1.329 0 50 CDAA Cc1cc(C)nc(NCC(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)n1 225424742 BCFLKCXIGKONEL-IHRRRGAJSA-N 286.379 1.834 0 50 CDAA Cc1c(C(=O)NCCCn2c(C)cccc2=O)ccn1C 426552367 RMXLENXGOJYZQB-UHFFFAOYSA-N 287.363 1.624 0 50 CDAA C[C@@]1(C(=O)N2CCCc3occc3C2)CCC(=O)NC1 289803696 RRTFNQUDKBJNKG-OAHLLOKOSA-N 276.336 1.471 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1cnnn1C)C2 288686721 UERHWWAUQMYBGY-CQSZACIVSA-N 286.335 1.052 0 50 CDAA Cc1ncsc1CCCNC(=O)CCC(=O)O 426394606 NFDFCTZKQRXDDC-UHFFFAOYSA-N 256.327 1.365 0 50 CDAA O=c1c2ccccc2cnn1Cc1nc([C@@H]2CCOC2)no1 96132505 VLIXVDZACPIJIT-LLVKDONJSA-N 298.302 1.332 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)C[C@@H](O)c2cccc(F)c2)C1 237525820 STPPWIDBKKJTEC-IUODEOHRSA-N 295.310 1.572 0 50 CDAA CC(C)c1nccc(C(=O)N(C)CCN2CCCC2)n1 426485508 ATRLASXYVLYKDJ-UHFFFAOYSA-N 276.384 1.768 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)NCCc2cnc[nH]2)C1 426550454 NROAPCBTVTZRQT-CYBMUJFWSA-N 280.372 1.553 0 50 CDAA CN1CCCC[C@@H]1C(=O)NCCOCc1ccccc1 97759335 KMRFAUGLSIZUGI-OAHLLOKOSA-N 276.380 1.804 0 50 CDAA O=C(NCCn1cnnc1)c1nccc2ccccc12 426440241 GMIPEKBSVZAQEE-UHFFFAOYSA-N 267.292 1.256 0 50 CDAA CN(C(=O)CCc1cccc(F)c1F)[C@@H]1CCNC1 179050865 AGPCRFZFRLCRCE-LLVKDONJSA-N 268.307 1.718 0 50 CDAA CNC1CCN(C(=O)[C@@H](C)n2nc(C)cc2C)CC1 179144963 MMCRAYUQQYPYLN-GFCCVEGCSA-N 264.373 1.271 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCC(N3CCCC3)CC2)C1 236439295 LTEZVFYAOPJLTG-QWHCGFSZSA-N 294.395 1.574 0 50 CDAA COc1cccn(Cc2noc([C@@H]3CCCO3)n2)c1=O 95497655 DRTZSZSHAVALFH-VIFPVBQESA-N 277.280 1.140 0 50 CDAA CCc1ncc(C(=O)NCc2ccc(C(=O)O)cc2)cn1 95510066 ULEAPUVESDURTA-UHFFFAOYSA-N 285.303 1.667 0 50 CDAA OCC1=C(CO)[C@H]2C3(CCCC3)[C@H]1[C@H]1[C@H]3CC[C@@H](C3)[C@@]12O 257355741 CJSJHEQXWQNZQZ-VIEJLLSASA-N 290.403 1.865 0 50 CDAA COc1cc(NC(=O)C2CCN(C(C)=O)CC2)ccc1O 438083794 WIXVKXJTRDEKNB-UHFFFAOYSA-N 292.335 1.598 0 50 CDAA CC(C)C[C@@H]1COCCN1C(=O)[C@H]1CC[C@H](N)C1 299739618 QPQGNNZSVHXJRS-RWMBFGLXSA-N 254.374 1.387 0 50 CDAA Cc1ccccc1C1(C(=O)N2CCN[C@@H](C)C2)CC1 299739857 SIJGVLPYRHRARG-ZDUSSCGKSA-N 258.365 1.847 0 50 CDAA Cc1ccc2nc(CNC(=O)C3CC(=O)C3)[nH]c2c1C 534643536 RTLNGKDPPRJGQC-UHFFFAOYSA-N 271.320 1.775 0 50 CDAA COCc1nc(C)c(CNC(=O)C[C@H]2CCOC2)s1 534589120 JLCBKOJFDNMDLS-SNVBAGLBSA-N 284.381 1.641 0 50 CDAA COCc1noc(CNC(=O)c2csc(C)c2)n1 534653810 CCJVSCKMRBCPFX-UHFFFAOYSA-N 267.310 1.516 0 50 CDAA C[C@H](C(=O)NCC1(CN2CCOCC2)CC1)n1cccc1 534585447 KVSXCJZMNSLDSO-CQSZACIVSA-N 291.395 1.278 0 50 CDAA CSCC[C@H](C(=O)N1CCN(C)CC1)n1cccc1 263588414 TZMUNVIBKQPCIS-CYBMUJFWSA-N 281.425 1.556 0 50 CDAA CC(C)C[C@H](NC(=O)Nc1cnns1)c1ncnn1C 299788169 SBFSCPNNAVCTRG-QMMMGPOBSA-N 295.372 1.576 0 50 CDAA Cc1csc(CCCNC(=O)c2cncn2C)n1 299762486 XREFEXOFDMFMJM-UHFFFAOYSA-N 264.354 1.548 0 50 CDAA CC(C)c1cc(Cn2cnc3nccnc3c2=O)no1 584893156 CTXJLCNALCFDMP-UHFFFAOYSA-N 271.280 1.346 0 50 CDAA Cc1nc2cc(CNC(=O)[C@H]3CCOC3)ccc2n1C 670440152 QHMJGHILEXIFDN-LBPRGKRZSA-N 273.336 1.534 0 50 CDAA c1nc([C@H]2CCCN(C3CSCCSC3)C2)n[nH]1 670465122 WIWAATDIHQJUCH-JTQLQIEISA-N 284.454 1.833 0 50 CDAA C[C@H](C(=O)N(C)C)N1CCO[C@@H](c2cccc(F)c2)C1 245399539 ALPZBWYZOUYCJU-BXUZGUMPSA-N 280.343 1.676 0 50 CDAA Cc1cc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)cc(C)n1 1553508483 XNBAZJQGXBTCPK-ZFWWWQNUSA-N 274.368 1.331 0 50 CDAA COCC1(NC(=O)[C@H](C)Cn2cccn2)CCCC1 952982877 SFZDIDRFMGZLHM-GFCCVEGCSA-N 265.357 1.595 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1Nc1ncnc2ccsc12 1565528076 BSMRCWZZFFLLMK-IUCAKERBSA-N 274.349 1.923 0 50 CDAA COC(=O)CN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 408523459 KFYIRHPYIPKBPA-HDJSIYSDSA-N 293.363 1.671 0 50 CDAA O=C(Cc1ccc(O)c(F)c1)NC[C@@H]1CCCOC1 408519353 JNARYFLDBBVEHM-NSHDSACASA-N 267.300 1.617 0 50 CDAA CCCn1cnnc1CN[C@@H](C)Cn1ccnc1CC 952873701 NCAOFYXNZOTERI-LBPRGKRZSA-N 276.388 1.625 0 50 CDAA CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@H]1COC[C@@H]1c1ccccc1 629255140 UWBONILSBLMQOQ-BVUBDWEXSA-N 289.375 1.646 0 50 CDAA Cc1ncsc1CN[C@H](C)C[C@@H]1CCCC(=O)N1 630060932 SVARSVAATATNOX-KOLCDFICSA-N 267.398 1.988 0 50 CDAA C[C@H]1C(=O)N(C)CCN1Cc1ccc2ccccc2n1 187005655 LOEKXPXBCKQROV-LBPRGKRZSA-N 269.348 1.897 0 50 CDAA OCc1ccc(CNc2ncnc3[nH]ncc23)cc1F 170591689 PIXIYRMGHBUZRI-UHFFFAOYSA-N 273.271 1.596 0 50 CDAA O=C(NCc1noc(C2CC2)n1)Nc1ccc(F)cn1 548489737 FATYGBIRNLDCSB-UHFFFAOYSA-N 277.259 1.803 0 50 CDAA CN(CC[C@@H]1CCCO1)C(=O)CCCn1ccnc1 170604602 GPKOYOCUQJPGDS-ZDUSSCGKSA-N 265.357 1.691 0 50 CDAA COCC[S@@](=O)Cc1ncc(C)c(OC)c1C 170615915 YEPXUWJIKXXHME-QGZVFWFLSA-N 257.355 1.602 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)NCCc1ccnn1C 408474267 NOSWEUHUZIFXPB-STQMWFEESA-N 265.357 1.284 0 50 CDAA C[C@@H]1C(=O)NCCCN1C(=O)c1cccc(CN(C)C)c1 188091778 FWPMNZPFUMOFEC-GFCCVEGCSA-N 289.379 1.099 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NCCN1CCOC(C)(C)C1 190917485 AYQDBEODHUZAPU-QWHCGFSZSA-N 284.400 1.029 0 50 CDAA Cn1ncnc1CN1CC(C)(C)OC2(CCCC2)C1 190968790 OJLVCZAFULDCDX-UHFFFAOYSA-N 264.373 1.739 0 50 CDAA C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)CC[C@@H]1C(=O)O 659224013 BUOLHJAGKIZJLY-KOLCDFICSA-N 289.335 1.537 0 50 CDAA CC(C)C[C@H]1C(=O)NCCCN1Cc1cn(C)cn1 660629536 JPCVHIUXLKDWJC-ZDUSSCGKSA-N 264.373 1.157 0 50 CDAA CN1C[C@@H](NC(=O)c2ccn(C)n2)Cc2ccccc21 585129057 WSTQSBSWKQXADV-LBPRGKRZSA-N 270.336 1.211 0 50 CDAA O=C(O)[C@H]1CCCN1Cc1cnn(-c2ccccc2)n1 86725937 DHVYYAVTGDLYGK-CYBMUJFWSA-N 272.308 1.316 0 50 CDAA CNC(=O)c1ccc(N2CCC([C@H]3CCNC3)CC2)nc1 1615038422 VEIGRNPCASOTEI-ZDUSSCGKSA-N 288.395 1.267 0 50 CDAA CC1(C)CO[C@H](CNC(=O)c2cnn3ccc(N)cc23)C1 1615547128 OGNPGUSPWWXCHP-NSHDSACASA-N 288.351 1.461 0 50 CDAA COC[C@]1(c2noc(Cn3ccc(C)n3)n2)CCCCO1 1615571757 PCCDVBSRJMVLQS-AWEZNQCLSA-N 292.339 1.665 0 50 CDAA CC(C)c1nn(C)cc1-c1cnn2c1C(=O)NCC2 1616036377 KTRLZNVKWZWERI-UHFFFAOYSA-N 259.313 1.150 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@]23CC[C@@H](CNC2)C3)cc1 1875306058 RGNAXSAJVMJYJR-TZMCWYRMSA-N 280.393 1.415 0 50 CDAA Cn1ccnc1C(=O)N1CCC[C@@H]1c1cccnc1 1506416621 HPEMIIWEYWLQGJ-GFCCVEGCSA-N 256.309 1.792 0 50 CDAA COc1ccc(C)cc1-c1nc(C(=O)N(C)C)n[nH]1 1506415378 NJBDSAXRPXQVAL-UHFFFAOYSA-N 260.297 1.491 0 50 CDAA CCC1CN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)C1 1857527231 NAYCUXDEYRBYHA-BDAKNGLRSA-N 263.341 1.914 0 50 CDAA CCC(CC)CC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857669341 MKOHNDOSIDCABS-SWLSCSKDSA-N 283.368 1.762 0 50 CDAA Cc1ccc2c(C(=O)N(C)CC3(C)COC3)cnn2c1 1857682944 RWMTUVZAOXQSTI-UHFFFAOYSA-N 273.336 1.751 0 50 CDAA CCN(CC1CCOCC1)C(=O)[C@H]1[C@@H]2CC[C@H]1CN2 1857694100 AMJOPOZMIOHPRW-MELADBBJSA-N 266.385 1.260 0 50 CDAA C[C@H](c1noc([C@@H](C)NS(C)(=O)=O)n1)C1CC1 408228173 WFBZZXSIJLALSY-NKWVEPMBSA-N 259.331 1.193 0 50 CDAA CCCO[C@H]1CCCN(c2ncc(OC)cn2)C1 1704352727 DXIWFEQENYXVCE-NSHDSACASA-N 251.330 1.881 0 50 CDAA Oc1n[nH]c(CN2CCC[C@@H](CC(F)(F)F)C2)n1 420956158 XVDAWCCDTBADFY-ZETCQYMHSA-N 264.251 1.675 0 50 CDAA Cc1oc(C(C)C)nc1C(=O)N1CCC[C@](O)(CO)C1 622689663 NVGBUGPUPFPGNI-CQSZACIVSA-N 282.340 1.066 0 50 CDAA C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)CC(C)(C)C 341194351 SSWYIENGBCJQAK-GHMZBOCLSA-N 291.413 1.131 0 50 CDAA CCN1CCN(Cc2ccc(Br)nc2)CC1 139664827 DMNPLEDMMNWHTL-UHFFFAOYSA-N 284.201 1.982 0 50 CDAA in-vitro C[C@H]1C(=O)NN=C2COc3ccc(Br)cc3N21 145770776 CIWNCSOJCVVCLB-LURJTMIESA-N 296.124 1.480 0 50 CDAA Cc1nc(C)c(C(=O)N2CC3(CN(C)C3)C2)s1 1147241498 ZJJMHIIELFVDJM-UHFFFAOYSA-N 251.355 1.148 0 50 CDAA CN(CC[C@H]1COCCO1)CC1(CO)CCCC1 1775981055 HIGLJCRUXQOQGP-ZDUSSCGKSA-N 257.374 1.276 0 50 CDAA CCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O 13116860 GZGDKWSUKCDQKU-UHFFFAOYSA-N 261.277 1.729 0 50 CDAA CCNC(=O)c1ccccc1NC(=O)CCCC(=O)O 14012966 MGDGPICQUJAFIE-UHFFFAOYSA-N 278.308 1.630 0 50 CDAA COC[C@@H](C)NC(=O)c1cnc2sc(C)c(C)n2c1=O 16625486 BVKLYFSORMWCKP-SSDOTTSWSA-N 295.364 1.138 0 50 CDAA Cc1ccc(CN2CCCN(c3ncccn3)CC2)c(=O)[nH]1 19145846 SQKDPSAJFVPOFP-UHFFFAOYSA-N 299.378 1.186 0 50 CDAA CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)Cc1cc[nH]n1 601678310 SUHPVPASEIEMKJ-HNNXBMFYSA-N 298.346 1.346 0 50 CDAA C[C@@H]1CCC[C@H](C(=O)Nc2ccn(CC(=O)O)n2)C1 123045057 WMXCIWVHXRQMLA-ZJUUUORDSA-N 265.313 1.733 0 50 CDAA N=c1[nH]nc([C@@H]2CCCN(C(=O)c3ccoc3Cl)C2)o1 636197367 CHXYPGAXBFYKGO-SSDOTTSWSA-N 296.714 1.748 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)Nc1cnn(CC(=O)O)c1 647744995 OEEVTCPBMDMXSD-SSDOTTSWSA-N 292.295 1.315 0 50 CDAA Cc1ccc(CC(=O)N2CC[C@@H](N)C[C@H]2C)s1 237396577 VXJZTWYFSPUYGV-MWLCHTKSSA-N 252.383 1.937 0 50 CDAA Cc1cccc(-n2cc(C(=O)N3CCN[C@@H](C)C3)nn2)c1 237582217 RFLBROJXWGRZGV-LBPRGKRZSA-N 285.351 1.010 0 50 CDAA O=C(NCC1(O)CCCC1)c1cnc(O)c2ccccc12 241644200 PPCPEQDXYDFXJL-UHFFFAOYSA-N 286.331 1.975 0 50 CDAA O=C(C1CCNCC1)N1CCO[C@H](c2ccccc2F)C1 157964969 IFBARUGTJKZGNX-HNNXBMFYSA-N 292.354 1.725 0 50 CDAA CSc1ncc(C(=O)O)c(N2CCCCC2)n1 35287583 XZOCZWLZKVUIPC-UHFFFAOYSA-N 253.327 1.887 0 50 CDAA in-vitro N=c1[nH]ccc(=NCC2CCN(Cc3ccccc3)CC2)[nH]1 397617094 UOIHYBDULIXVAR-UHFFFAOYSA-N 297.406 1.635 0 50 CDAA Cc1ccnn1CC(=O)N1CCCC[C@H]1CC(=O)O 901999399 ZFMHTZNDYPVSKA-NSHDSACASA-N 265.313 1.047 0 50 CDAA O=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 907654286 APYDKFHFMYEFAB-MJFRGSRISA-N 291.347 1.122 0 50 CDAA COCc1nccc(N(C)Cc2ccc(C)cn2)n1 929085104 VKHZSXRYBLEDRF-UHFFFAOYSA-N 258.325 1.963 0 50 CDAA C[C@H]1CN(Cc2cnon2)c2ccccc2N(C)C1=O 851849500 XWAFCGNPHGNOJB-JTQLQIEISA-N 272.308 1.689 0 50 CDAA CN(CCC(=O)O)Cc1nc2c(s1)CCCC2 237242782 CTAZUPYEOPQDFX-UHFFFAOYSA-N 254.355 1.928 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)nn1C 952848814 MAFQWVYWKCEUJV-WCQYABFASA-N 289.339 1.182 0 50 CDAA COC(=O)[C@H](C)CN(C(=O)Nc1conc1C)C1CC1 952995346 JCMJQVZJHBOTAL-MRVPVSSYSA-N 281.312 1.788 0 50 CDAA O=C(OCc1ccc(F)cc1)N1CCSC[C@@H]1CO 952995074 CGGKHJRMPAXKDW-LBPRGKRZSA-N 285.340 1.872 0 50 CDAA CN1C[C@H](C(=O)Nc2c(F)cccc2Cl)CC1=O 1875269865 LDJMKIKNWKYLRS-SSDOTTSWSA-N 270.691 1.896 0 50 CDAA O=C1CCNC(=O)N1CCOc1cccc(Cl)c1 1875253017 JKCSLGWKKUHMKA-UHFFFAOYSA-N 268.700 1.661 0 50 CDAA O=C(NCCc1cnc2ccccc2c1)C1(O)CC1 1875296088 YDDVDYZDUMKLBH-UHFFFAOYSA-N 256.305 1.418 0 50 CDAA Cc1ccnc(N2CCN(C(=O)N(C)C3CC3)CC2)c1 1875274357 SLLKQFAOLVXMEU-UHFFFAOYSA-N 274.368 1.726 0 50 CDAA O=C(NC1CCC2(CC1)COC2)N1CCC2(CC1)COC2 1875278146 CQVSSEWQZJPVPY-UHFFFAOYSA-N 294.395 1.768 0 50 CDAA CN1CCN(C(=O)c2cn3cccc(Cl)c3n2)[C@@H]2C[C@H]21 1875308331 AOOWBUZNHOKNEA-VXGBXAGGSA-N 290.754 1.516 0 50 CDAA O=C(Cn1cc(C2CC2)cn1)N[C@@H](C(F)F)C1CC1 888092992 VADQHXZMBDAQIG-GFCCVEGCSA-N 269.295 1.920 0 50 CDAA O=C(c1cccs1)N1CCC(N2CCOCC2)CC1 19832089 LXOUSMZPRWTZTN-UHFFFAOYSA-N 280.393 1.685 0 50 CDAA NC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)C1 895259147 AFAFZABANALHJF-LDMBFOFVSA-N 265.357 1.128 0 50 CDAA Cc1nc([C@@H](CO)NC(=O)Cc2ccc(Cl)cc2)n[nH]1 1775998777 IQIOAZBEDMMFDG-LLVKDONJSA-N 294.742 1.159 0 50 CDAA Cc1noc([C@H]2OCC[C@H]2CNCc2ccn(C)c2)n1 1775957660 GSRHRBSVDATXKK-STQMWFEESA-N 276.340 1.584 0 50 CDAA CN(C)[C@]1(C)CCN(C(=O)[C@H]2CCc3cccc(O)c32)C1 1775999944 ZATQHAAUPZEQNW-SUMWQHHRSA-N 288.391 1.975 0 50 CDAA O=C(Nc1ccnc2ncnn12)c1ccc(F)cc1 1776002235 RUBVXAOOJQYVRE-UHFFFAOYSA-N 257.228 1.516 0 50 CDAA Cc1cccc(CCNC(=O)Cc2ccc(O)cn2)n1 1776006798 VUWYPANHSPFJEX-UHFFFAOYSA-N 271.320 1.392 0 50 CDAA O=C(O)COCC(=O)N1CCC2(CCCCC2)C1 310757639 OCPJCYKBRUFVEH-UHFFFAOYSA-N 255.314 1.270 0 50 CDAA CCCOC[C@H]1CCN(Cc2nncn2CC)C1 670439952 FWOIDJRZYBDUEP-LBPRGKRZSA-N 252.362 1.547 0 50 CDAA Cc1ccc(F)c(C(=O)N2CCO[C@@](C)(C(=O)O)C2)c1 711528506 RQHFYFQSUPUVRH-CQSZACIVSA-N 281.283 1.450 0 50 CDAA CCOC(=O)[C@H]1CNCCN1C(=O)OCc1ccccc1 390768013 JGAOTOPJSAYSPJ-CYBMUJFWSA-N 292.335 1.160 0 50 CDAA CCCn1ccc(CNC(=O)c2oc(C(=O)O)cc2C)n1 2325775349 ZLOCUOISJQXUKK-UHFFFAOYSA-N 291.307 1.823 0 50 CDAA C[C@@H](Sc1nccc(O)n1)c1nnc(N(C)C)o1 2325802981 IIEXVIVZABMIET-ZCFIWIBFSA-N 267.314 1.485 0 50 CDAA CC1(C)CC[C@H](C(=O)NC[C@H]2CNC(C)(C)C2)OC1 2325809160 KWWOJMNMNVYFOM-NWDGAFQWSA-N 268.401 1.696 0 50 CDAA C[C@H](O)[C@@H]1CCN(C2=NCCN2Cc2ccccc2)C1 2325841858 IBGVAPODXZBQBK-DZGCQCFKSA-N 273.380 1.561 0 50 CDAA Cc1ccnc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 33391 REPCDKMKCSWYLV-UHFFFAOYSA-N 282.255 1.889 0 50 CDAA O=C1O[C@]2(O)c3ccccc3C(=O)N2c2ccccc21 100937 WIBNFFCZZQJGET-OAHLLOKOSA-N 267.240 1.620 0 50 CDAA biogenic CN1C(=O)[C@@H](O)N(c2ccc(Cl)c(Cl)c2)C1=O 314294 XYDZXWKNSMIAJK-SECBINFHSA-N 275.091 1.710 0 50 CDAA CO[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 389080 YONYCOWHKPZPDD-CYBMUJFWSA-N 262.353 1.366 0 50 CDAA O=C(NCCN1CCCC1)[C@@H]1COc2ccccc2O1 620315 LRULXWAWWPSUQB-AWEZNQCLSA-N 276.336 1.038 0 50 CDAA CC(=O)Oc1ccc2c(c1)O[C@H](C)[C@H](C(C)=O)C2=O 2160399 FCMKYTRCMVVDFH-OQPBUACISA-N 262.261 1.781 0 50 CDAA CCOC(=O)CCN[C@H](C)[C@@H]1COc2ccccc2O1 2183405 VPEJVSUDRBRPKB-RISCZKNCSA-N 279.336 1.758 0 50 CDAA CCOc1ccccc1N[C@H]1C=CS(=O)(=O)C1 4371891 QXLCJUHITJQEBF-JTQLQIEISA-N 253.323 1.808 0 50 CDAA CCS(=O)(=O)N(C)c1ccc(C(=O)NC(C)C)cc1 6697867 DITZIQSBNWJUSB-UHFFFAOYSA-N 284.381 1.611 0 50 CDAA O=C(Nc1ccc(CN2CCOCC2)cn1)c1cccnc1 225521902 AFNLRWFDWJHRNJ-UHFFFAOYSA-N 298.346 1.561 0 50 CDAA OC[C@@H]1CCCCN1C[C@H](O)COc1ccc(Cl)cc1 101828964 WMTGSWKPLDSFKN-KBPBESRZSA-N 299.798 1.927 0 50 CDAA CCCSc1ncc(CNC[C@@H]2CNCCO2)cn1 55060731 XSGDQKPKZZSCJI-LBPRGKRZSA-N 282.413 1.057 0 50 CDAA COCCN1CCN([C@H](C)c2nc(C3CC3)no2)C[C@H]1C 247914344 ZCVRTZNNRFFJCV-VXGBXAGGSA-N 294.399 1.661 0 50 CDAA COc1cc(N2CCC[C@@]3(CCN(C)C3)C2)ncn1 67712568 OXCPIIGJSUMBJR-AWEZNQCLSA-N 262.357 1.407 0 50 CDAA Cc1cc(F)cc(C(=O)N[C@H]2CCC[C@H]2CN)c1 135238654 KAKOCKWPGFATMI-GWCFXTLKSA-N 250.317 1.991 0 50 CDAA O=C(Nc1nnn[nH]1)c1ccccc1OC1CCC1 135470313 KXNMRXRUBZVLMO-UHFFFAOYSA-N 259.269 1.383 0 50 CDAA CCNC(=O)CC(=O)Nc1ccc2nc(S)[nH]c2c1 135505715 CDZBWTWHJCSYPM-UHFFFAOYSA-N 278.337 1.316 0 50 CDAA CC(C)(C)OC(=O)N1CC(OC2(C(=O)O)CCC2)C1 409418920 HDHHGUHQOMHQQZ-UHFFFAOYSA-N 271.313 1.630 0 50 CDAA NC[C@H]1CN(C(=O)c2ccc3c(c2O)CCCC3)CCO1 423536665 IBUQEKRLVZIUIC-LBPRGKRZSA-N 290.363 1.071 0 50 CDAA O=C1OCCN1CCNC1CCC2(CCNCC2)CC1 67885833 PMFPLXJPBXASLQ-UHFFFAOYSA-N 281.400 1.341 0 50 CDAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C[C@@H](O)CO 67847357 MQOQIOOUKCWGGQ-CYBMUJFWSA-N 279.315 1.001 0 50 CDAA O=C(Nc1ccccn1)[C@@H]1CC(c2ccncc2)=NO1 252500936 TZVCACXODSVIEP-LBPRGKRZSA-N 268.276 1.608 0 50 CDAA COC(=O)CS(=O)(=O)c1cccc2cccnc12 462957 JETPFNKGCDZFFJ-UHFFFAOYSA-N 265.290 1.182 0 50 CDAA NCc1nc(-c2ccccc2Br)no1 34797621 LNHOZECFPHEBQS-UHFFFAOYSA-N 254.087 1.958 0 50 CDAA CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2C)n1 328592400 YPYCYPPKSXQXBE-WCQYABFASA-N 264.373 1.629 0 50 CDAA CCN1CCN(C(=O)[C@H]2CCCOC2)C[C@@H]1c1ncc[nH]1 328621905 IBANIGQXAWOELH-QWHCGFSZSA-N 292.383 1.042 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cccnc1 328631247 QREOSRHBEBKDOO-GFCCVEGCSA-N 270.336 1.613 0 50 CDAA O=C(Cc1ccsc1)NC1(C(=O)O)CCOCC1 127448226 DOFZBJKEJXQVSF-UHFFFAOYSA-N 269.322 1.041 0 50 CDAA COc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cn1 253394906 BBRMTRVAGSDGHX-RRFJBIMHSA-N 292.379 1.452 0 50 CDAA COCCCn1ccc(=NC(=O)N2CCC(F)(F)C2)[nH]1 330676894 IVCDUGBAFCOQAK-UHFFFAOYSA-N 288.298 1.214 0 50 CDAA C[C@H]1CC[C@@H](CCC(=O)N2CCC(c3nc[nH]n3)CC2)O1 363594923 IICZGPYMOYZYJX-AAEUAGOBSA-N 292.383 1.858 0 50 CDAA N=c1cc(CN2CC[C@H](O)c3ccccc3C2)cc[nH]1 365512583 LYRDSXNAZAXRHM-HNNXBMFYSA-N 269.348 1.933 0 50 CDAA CCn1cc(C(=O)N2CCC[C@@H](N)C2)c(C(C)C)n1 158597199 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292.774 1.718 0 50 CDAA CN1C(=O)CCC12CCN(C(=O)[C@@H]1CC1(C)C)CC2 952990517 WRYQBIHLGBCQML-NSHDSACASA-N 264.369 1.646 0 50 CDAA CS(=O)(=O)CCC(=O)N1C[C@H]2CCC[C@H](C2)C1 952980611 KQMUXAHDEOXPBC-PHIMTYICSA-N 259.371 1.070 0 50 CDAA COC(=O)CC(=O)c1cnc(N2CCCCC2)nc1C 72226302 GIOYFDJFVSUSQG-UHFFFAOYSA-N 277.324 1.521 0 50 CDAA in-vitro O=C1Nc2ccc(F)cc2C[C@H]1C(=O)N[C@@H]1CCSC1 1467754348 UBSDZLDWWVONOP-MNOVXSKESA-N 294.351 1.558 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1cccc(C(=O)O)c1C 278705345 SJVLSRZYOBPDRF-QMMMGPOBSA-N 287.337 1.470 0 50 CDAA CC(C)[C@H]1CN(C(=O)COc2ccccc2)CCN1C 170612274 QVVMAKDEIDBVFX-OAHLLOKOSA-N 276.380 1.864 0 50 CDAA Cc1cc(C)n2ncc(C(=O)N3CCC(=O)[C@H](C)C3)c2n1 170601723 KRWVIIOCCVPVSN-SECBINFHSA-N 286.335 1.397 0 50 CDAA CC(C)Cc1n[nH]c(=NC(=O)N2C[C@@H](O)C[C@H]2C)s1 408287330 QMOUDRIALFGNNK-BDAKNGLRSA-N 284.385 1.146 0 50 CDAA CO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)C12CCC2 408520042 RDKTWEZQYDGTSP-IJLUTSLNSA-N 253.342 1.487 0 50 CDAA COc1nccc2c(NC(=O)[C@H]3CCCC(=O)N3)cccc12 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C[C@@H]1CN(Cc2n[nH]c3ccccc23)CC[S@@](=O)C1 617879139 QBPGDQLIYROQLQ-NSPYISDASA-N 277.393 1.763 0 50 CDAA C[C@@]1(O)CCN(CCCCOc2ccccc2)C[C@@H]1O 96148227 AGBUSNAYHSSIKD-JKSUJKDBSA-N 279.380 1.663 0 50 CDAA C[C@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)[C@H]1CCCO1 251625655 QUCFWOXGHWFKDP-KZWBYHQPSA-N 298.408 1.124 0 50 CDAA COc1ccc(CC(=O)N2CC[C@H](O)CC23CCC3)nc1 622112113 QRBXWTZOAXESIU-ZDUSSCGKSA-N 290.363 1.539 0 50 CDAA C[C@]12[C@H]3[C@H]4[C@H]5[C@H]([C@@H]5[C@H]31)[C@H]2n1c(=O)n(-c2ccccc2)c(=O)n14 253595871 JZADYYGDWMIINM-NXLPEQSQSA-N 293.326 1.038 0 50 CDAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)CC(=O)O 299738881 HUGSHXNMLRGPAF-DZGCQCFKSA-N 276.380 1.913 0 50 CDAA CC(C)C[C@@H](C)OCCC(=O)N1CCOC[C@H]1C(=O)O 299752243 SZOLOZOGLKKOGH-NEPJUHHUSA-N 287.356 1.140 0 50 CDAA Cc1cnn(CCNC(=O)[C@H]2CC(=O)OC23CCCC3)c1 534586780 KZKRHBIQTQUVLT-GFCCVEGCSA-N 291.351 1.184 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCc2nnc(N)s2)n1 534675339 CZWMQHPBUGOPHQ-QMMMGPOBSA-N 266.374 1.112 0 50 CDAA 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CC(C)[C@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@@H]1C(=O)O 1565530889 GIMSXKFXGATZFA-KGLIPLIRSA-N 290.363 1.574 0 50 CDAA Cc1cccnc1CCNC(=O)N1C[C@@H](N)C2(CCC2)C1 1553492101 PLNSIPQNGQSTQX-CQSZACIVSA-N 288.395 1.455 0 50 CDAA Cc1nc(CN2CCC[C@@](CO)(CN(C)C)C2)n(C)c1C 952978604 BHYDPZUOYGFHJQ-MRXNPFEDSA-N 294.443 1.173 0 50 CDAA COCCNC(=O)c1cccc(NC(=O)CSC)c1C 952978833 VQVJJZSQBQSLBJ-UHFFFAOYSA-N 296.392 1.673 0 50 CDAA N[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 952985839 HRXQADDSBFSJBA-KOZAUXTDSA-N 294.358 1.960 0 50 CDAA CNC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 269172506 JUTKEDZZCQGLRF-CQDKDKBSSA-N 276.355 1.997 0 50 CDAA CNC(=O)[C@@H]1CN(c2nc3cc(C)ccc3o2)CCO1 273201912 OHZNYJNECVFSJR-LBPRGKRZSA-N 275.308 1.087 0 50 CDAA O=C(Cc1ccoc1)N[C@H]1CCCN(c2ncccn2)C1 185894954 PAGLPSOSRXJFEG-ZDUSSCGKSA-N 286.335 1.397 0 50 CDAA CN1CCO[C@H](CN(Cc2ccccn2)CC2CC2)C1 275712507 NVERPSKJVIRBEB-INIZCTEOSA-N 275.396 1.624 0 50 CDAA CN(Cc1ccccn1)C(=O)c1ccn([C@H]2CCCNC2)n1 276840221 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O=S1(=O)CCN(c2nc3ccccc3o2)[C@H]2CCC[C@H]21 408519687 QTSHRRODOZGENI-WCQYABFASA-N 292.360 1.984 0 50 CDAA Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)n1C 192644871 JXCYRZDAQGFYNE-HNNXBMFYSA-N 298.342 1.985 0 50 CDAA CC1CCC(N(Cc2nnn(C)n2)C[C@@H]2CCCO2)CC1 193382952 NYPKKQCDFNPVFA-RUXDESIVSA-N 293.415 1.770 0 50 CDAA O=C(c1ccc2nccn2c1)N1CCO[C@H](C(F)F)C1 194131194 IHXHKZZAVHGPEL-JTQLQIEISA-N 281.262 1.440 0 50 CDAA O=C1CC[C@H](CC(=O)Nc2c[nH]nc2-c2ccccc2)CN1 568837065 LSHZHVUHVQXWCJ-LLVKDONJSA-N 298.346 1.932 0 50 CDAA CC(C)n1nccc1[C@H]1OCC[C@@H]1NS(=O)(=O)C1CC1 572065091 RWJQSYXTIZCCBP-AAEUAGOBSA-N 299.396 1.376 0 50 CDAA CO[C@H]1c2ccccc2C[C@H]1N=c1[nH]c(C(=O)O)co1 576826694 ULBRXIYKVKGILW-PWSUYJOCSA-N 274.276 1.519 0 50 CDAA COC(=O)c1ccc(COC(=O)C(C)(C)CO)o1 726667903 MKVCVUGBKGCXGW-UHFFFAOYSA-N 256.254 1.128 0 50 CDAA O=C(NC1CCCCC1)[C@H]1CNCC12CCOCC2 582469050 BHWIRPYEVPIZAT-CYBMUJFWSA-N 266.385 1.452 0 50 CDAA CCOCn1nc(C)c(CC(=O)NC[C@H]2CCCO2)c1C 585089352 GVYBMRRSBVINFS-CYBMUJFWSA-N 295.383 1.332 0 50 CDAA CCn1cc(CC(=O)Nc2cccnc2N(C)C)cn1 585080937 ZJVUTLIYCJHUCP-UHFFFAOYSA-N 273.340 1.545 0 50 CDAA CC(C)(C)OC(=O)[C@H]1CCCCN1C[C@H]1CNC(=O)C1 585094293 DPERJHVZHOMMST-VXGBXAGGSA-N 282.384 1.319 0 50 CDAA O=C(NCc1nccs1)c1ncn2c1CCCC2 585120975 APELKLMSZJZJHR-UHFFFAOYSA-N 262.338 1.606 0 50 CDAA CC(=O)N1CC[C@@H](CNC(=O)Nc2cccc(C)c2)C1 585118981 LCTJLHPUUTYBEI-ZDUSSCGKSA-N 275.352 1.985 0 50 CDAA CCNC(=O)NCCc1ncn(C)c1Br 952880713 WYTYYAXMFZYGEY-UHFFFAOYSA-N 275.150 1.044 0 50 CDAA Cc1ccc(CNC(=O)c2c(C3CC3)cnn2C)n1C 1615589787 VEAZDWJUWINCMO-UHFFFAOYSA-N 272.352 1.874 0 50 CDAA CN(CCN(C)C1CCCC1)c1ccc(C(=O)O)nn1 1506416480 BSJXVBWZUICLFV-UHFFFAOYSA-N 278.356 1.485 0 50 CDAA Cc1ccsc1CN(C)C(=O)Cc1cc(O)nnc1O 1506399341 MHSIMOHIFDKNHQ-UHFFFAOYSA-N 293.348 1.459 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc2ccccc2n1 223614071 MASXEYPURDTBHL-TZMCWYRMSA-N 272.304 1.114 0 50 CDAA C1C[C@@H](N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)CO1 225542765 ZXZIBDZLPGKZBO-BYNSBNAKSA-N 250.386 1.582 0 50 CDAA CCCS(=O)(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857672532 FFUNQUNQHKKBOJ-UHFFFAOYSA-N 283.397 1.428 0 50 CDAA Cc1nc(CNC(=O)c2c(Cl)cnn2C)n(C)c1C 1857704941 MBISURRRHYZJND-UHFFFAOYSA-N 281.747 1.354 0 50 CDAA O=c1c2[nH]ccc2ncn1Cc1cn2c(n1)SCC2 1857709026 AFMJTBQOYZMVFR-UHFFFAOYSA-N 273.321 1.075 0 50 CDAA CCCn1[nH]c(=NC(=O)C2CCOCC2)cc1C 1857734321 IJQCTUAWEXKPPN-UHFFFAOYSA-N 251.330 1.389 0 50 CDAA Cc1ncc(CN(CCO)C(=O)c2ncccc2C)[nH]1 1704332542 RGWFPDAQVGFPKY-UHFFFAOYSA-N 274.324 1.056 0 50 CDAA CC(C)(C(=O)N1CCO[C@H](C(=O)O)C1)c1cccs1 236692778 AJXWIFKBYPSZAK-VIFPVBQESA-N 283.349 1.338 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CC[C@H](C(=O)O)C1 237073619 MHQXCOAPTAXHPV-VIFPVBQESA-N 280.324 1.275 0 50 CDAA Cc1ccc(N2CCCC2)c(C(=O)NCC(=O)O)c1 237780720 XURQKXGESJFARL-UHFFFAOYSA-N 262.309 1.410 0 50 CDAA COC1(C(=O)N2C[C@@H](C)[C@H](C(=N)O)C2)CCCCC1 334407517 HHKKLJXIMFBKJG-GHMZBOCLSA-N 268.357 1.965 0 50 CDAA O=C(O)CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F 134434622 RPXHKMVKRJKFIF-RNFRBKRXSA-N 253.220 1.556 0 50 CDAA CCc1nsc(N[C@@H](C)C2(S(C)(=O)=O)CC2)n1 672328288 HTDIVLCWAZQFPQ-ZETCQYMHSA-N 275.399 1.478 0 50 CDAA Nc1nc(-c2ccc(OCC(=O)O)cc2)cs1 20329603 HYDGPYDSIOCNTN-UHFFFAOYSA-N 250.279 1.856 0 50 CDAA in-vitro CCC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 30822993 DGSULKQLDKHQML-UHFFFAOYSA-N 256.346 1.912 0 50 CDAA in-vitro COc1ccc(C(CC(=O)O)CC(=O)O)cc1OC 5074141 TZSDBIPKDYTSKC-UHFFFAOYSA-N 268.265 1.737 0 50 CDAA NC[C@@H](Cc1ccccc1Br)C(=O)O 16696853 NZFMYDNPOGZVOM-MRVPVSSYSA-N 258.115 1.651 0 50 CDAA CCOc1c(CNCCN2CCOCC2)cccc1OC 19370668 LASKUZJJSWKSJM-UHFFFAOYSA-N 294.395 1.516 0 50 CDAA O[C@@H](COCc1ccc(Cl)cc1)CN1CCOCC1 19537073 ZHKLPNPLOJZWIE-CQSZACIVSA-N 285.771 1.550 0 50 CDAA O=C(/C=C/c1ccccc1)NCCN1CCOCC1 19794614 POHOCARNKLTJBC-VOTSOKGWSA-N 260.337 1.148 0 50 CDAA OCCN1CCN(C(=S)c2ccc(Cl)cc2)CC1 19841962 NIKFQARTHANUFX-UHFFFAOYSA-N 284.812 1.625 0 50 CDAA COc1ccc(NC(=O)OCCN2CCOCC2)cc1 19861859 VJZPZOCLBPTCDQ-UHFFFAOYSA-N 280.324 1.576 0 50 CDAA COCC(=O)N[C@H](C)c1ccccc1-n1cccn1 153502566 GWAKPOROCQRMKM-LLVKDONJSA-N 259.309 1.696 0 50 CDAA C[C@H]1COC[C@H]2CN(C(=O)Cc3ccsc3)CCN12 1857721260 HAMFDXYQNMGJFN-WCQYABFASA-N 280.393 1.222 0 50 CDAA CCc1nc(N[C@@H]2CNC(=O)C2)c2ccsc2n1 548036588 SIRFQYYPHYNVPD-ZETCQYMHSA-N 262.338 1.554 0 50 CDAA Cc1cc(CNC(=O)N2C[C@@H](F)C[C@@H]2CO)ccc1F 335807084 XOUVRRRWKIYEHE-NWDGAFQWSA-N 284.306 1.748 0 50 CDAA CNC(=O)C1(NC(=O)c2cnc3ccccc3n2)CCCC1 751240232 SWDDERWZGXMXAZ-UHFFFAOYSA-N 298.346 1.418 0 50 CDAA CC[C@@H]1CN(c2ccc3nnc(C(F)F)n3n2)CCO1 132354196 XTBSWNULDKIXPY-MRVPVSSYSA-N 283.282 1.677 0 50 CDAA O=C(N[C@H]1C[C@H](C(=O)O)C1)[C@@H]1CCc2cc(F)ccc21 567917385 KJYVKMCCPPBYKD-IRUJWGPZSA-N 277.295 1.835 0 50 CDAA CCc1ccc(CNC(=O)CN2CC[C@H](C(=O)O)C2)s1 262681765 WJUYAFAPXUSSMB-JTQLQIEISA-N 296.392 1.333 0 50 CDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 848979462 XBNINVADJRVQMY-LLVKDONJSA-N 259.309 1.445 0 50 CDAA CN1CCOc2ccc(C(=O)N[C@@H]3CCn4cncc43)cc21 857978205 COXSSEADIDETGE-GFCCVEGCSA-N 298.346 1.587 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1cnn2ccccc12 952881857 SFECHFJDNLWDCH-UHFFFAOYSA-N 279.321 1.221 0 50 CDAA Cc1cc(NC(=O)NC[C@@H]2CCCc3nccn32)on1 1875291042 MEYZAHQLEOAZQR-JTQLQIEISA-N 275.312 1.879 0 50 CDAA CC(C)c1cccc(CNC(=O)[C@H]2COC(=O)O2)c1 1875293221 HECSQPOYTXJOND-GFCCVEGCSA-N 263.293 1.962 0 50 CDAA O=C(NO[C@@H]1CCOC1)[C@@H]1COCC[C@@H]1c1ccccc1 1875266099 FLWDJSWGMKHRAJ-RBSFLKMASA-N 291.347 1.643 0 50 CDAA C[C@@H](C(=O)Nc1ccc(-n2nccn2)cc1)[C@@H]1CCNC1 1875287332 FKRJLTDMNNXMLP-VXGBXAGGSA-N 285.351 1.451 0 50 CDAA C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2 1875325012 GBXQVTQEYOKZQG-VXNVDRBHSA-N 293.392 1.429 0 50 CDAA O=C(Cc1ccco1)NC1(c2ccccc2)COC1 888566020 CKFZPRMXJPHSQF-UHFFFAOYSA-N 257.289 1.864 0 50 CDAA CCOc1nc(NCc2nc(C)cc(O)n2)ncc1Cl 894376926 HVNMQCDNYXWELT-UHFFFAOYSA-N 295.730 1.945 0 50 CDAA Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)o1 263491404 OWNXNQSPRWQJKY-GUBZILKMSA-N 285.321 1.214 0 50 CDAA O=C(N[C@@H]1CCOC2(CCC2)C1)c1ccnc(O)c1 269113173 CPDMNYXOEAMRAI-LLVKDONJSA-N 262.309 1.619 0 50 CDAA CC[C@@H]1CN(c2cccc(C(=O)O)n2)[C@H](C)CO1 403941511 NBJYQPMLLOGEBV-NXEZZACHSA-N 250.298 1.784 0 50 CDAA Cc1cc(CN(C)CC[C@H]2CCS(=O)(=O)C2)ccn1 670462934 WWGKQNYAELDCLC-ZDUSSCGKSA-N 282.409 1.647 0 50 CDAA O=C(Cc1ccncc1)N1CCC(C2(O)CC2)CC1 652668805 NOXXLAKFJLSCCZ-UHFFFAOYSA-N 260.337 1.388 0 50 CDAA O=C(O)[C@H](CNc1ncc(F)cn1)C1CCOCC1 863734579 HYTPUMYPEAKBRX-SNVBAGLBSA-N 269.276 1.155 0 50 CDAA CCN1CCn2c(CCNc3ccccc3)nnc2C1=O 2100483483 XJIQBPCINORJEP-UHFFFAOYSA-N 285.351 1.408 0 50 CDAA C[C@H]1C[C@H](c2noc([C@]3(C)CCC(=O)N3)n2)C[C@@H](C)O1 2325765271 AREKTVOLYJBARI-JIXVBMEVSA-N 279.340 1.866 0 50 CDAA O=C(C[C@H]1SCCNC1=O)Nc1ccc(Cl)cc1 52842 PKOSTNQTHPKEQK-SNVBAGLBSA-N 284.768 1.900 0 50 CDAA CNC1=NC(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S1 299058 GRTAOHQLGURXRJ-VIFPVBQESA-N 281.312 1.372 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@H]1CC(c2ccccc2O)=NO1 1126372 MSIWLSSJQFINNZ-IINYFYTJSA-N 290.319 1.180 0 50 CDAA COCCCNC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 2147192 FCTAZZZFELIZOH-LSDHHAIUSA-N 267.369 1.925 0 50 CDAA biogenic CCN(CC)CCCOC(=O)c1ccc(O)cc1O 2288894 SBWJUOJQEAWDQZ-UHFFFAOYSA-N 267.325 1.987 0 50 CDAA biogenic CC1=C(C(N)=O)[C@H](c2c(F)cccc2Cl)NC(=S)N1 2475969 JIHBZCORAZLEEC-SNVBAGLBSA-N 299.758 1.757 0 50 CDAA O=C(Cc1cccc(O)c1)N1CCC[C@]12CCCNC2=O 2356144315 RHDRAOORJLYELG-INIZCTEOSA-N 288.347 1.206 0 50 CDAA O=C1NC[C@H]2CN(C3CCN(Cc4ccccc4)CC3)C[C@@H]12 2356146055 PDGRWTBYQBUBTE-DOTOQJQBSA-N 299.418 1.329 0 50 CDAA COCCCNCCOCCOc1ccccc1F 2981137 UNJFSZLGQXWANS-UHFFFAOYSA-N 271.332 1.847 0 50 CDAA Cc1cc(O)c2n(Cc3ccccc3Cl)nc[n+]2n1 8582626 CHRLPJZCIWWRGL-UHFFFAOYSA-O 275.719 1.733 0 50 CDAA COC(=O)c1ccc(I)c(O)c1 8700304 LXCQVWRESZDFGW-UHFFFAOYSA-N 278.045 1.783 0 50 CDAA CN(C(=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)C1CCS(=O)CC1 225455631 HACLOVJLVWHXPX-AJZQTQQZSA-N 296.436 1.583 0 50 CDAA COc1ccc(N2C(=O)C[C@H]([C@@H]3CCCO3)C2=O)cc1 100570278 GHVBNWMNHPAMCU-OLZOCXBDSA-N 275.304 1.754 0 50 CDAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCOCCC(N)=O)C2 100815294 RHARSJMMEXQLKV-OZVIIMIRSA-N 296.411 1.600 0 50 CDAA CC(C)C(=O)NCCC(=O)Nc1cccc(F)c1 57291732 BPIZQJSJLIBEDD-UHFFFAOYSA-N 252.289 1.927 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCOC1 248161209 XQGCZQWMZBCQCW-YNEHKIRRSA-N 252.358 1.108 0 50 CDAA CC[C@@H](c1ccnn1C)N1Cc2ncccc2C1=O 65507603 VZPFIVAENPTWIJ-LBPRGKRZSA-N 256.309 1.922 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2cc[nH]n2)C1 348128837 QGWYCNCGLVTYFY-KBPBESRZSA-N 264.373 1.095 0 50 CDAA CN1CCN(Cc2c(F)cccc2Cl)C[C@@H]1CCO 23361168 GBHHQVIOMSAFEW-NSHDSACASA-N 286.778 1.978 0 50 CDAA COc1c([C@@H]2CCCN2[C@H]2CCOC2=O)c(C)nn1C 257365311 IMTZCDWODAKUEZ-QWRGUYRKSA-N 279.340 1.190 0 50 CDAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1cccc(Cl)c1 65466328 RBFJOVNHHGXHAS-QWHCGFSZSA-N 283.755 1.838 0 50 CDAA Cc1cccnc1N1CCC[C@H](c2nnc(CO)n2C)C1 1506401620 KSRWIEARUWONTI-LBPRGKRZSA-N 287.367 1.395 0 50 CDAA CC(C)(C)OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)N1 407986241 IOIRUGCWQKEXPJ-QMMMGPOBSA-N 286.328 1.657 0 50 CDAA CC(C)n1ccc(C(=O)N2[C@H]3CC[C@@H]2CN(C)CC3)n1 328592114 UZUPDDXGQDPBCB-QWHCGFSZSA-N 276.384 1.773 0 50 CDAA CCn1cncc1S(=O)(=O)N1Cc2ccccc2CO1 329263823 GMBRXTKJXULYNZ-UHFFFAOYSA-N 293.348 1.539 0 50 CDAA CC(C)(CN)NC(=O)c1cc(Br)ccc1O 124410068 XKJNVUSLWDOZIB-UHFFFAOYSA-N 287.157 1.622 0 50 CDAA CC(=O)c1cccc(N(C[C@H]2CCCO2)S(C)(=O)=O)c1 330575259 OOCPACOXOXAKCV-CQSZACIVSA-N 297.376 1.834 0 50 CDAA Cc1nc([C@H](C)NS(=O)(=O)C[C@H]2CCOC2)cs1 330688146 UOVCOUIYCKZANN-WPRPVWTQSA-N 290.410 1.468 0 50 CDAA CC(=O)c1cn(CC(=O)N[C@H](C)C(=O)O)c2ccccc12 72115817 ISIYMUVSYIQLHD-SECBINFHSA-N 288.303 1.433 0 50 CDAA CO[C@H](C)CS(=O)(=O)N(C)c1ccc(C(=O)O)cc1 282201882 LWCZKANQNLMVFQ-SECBINFHSA-N 287.337 1.186 0 50 CDAA OCCOc1cncc(N2CCC3(CCOCC3)CC2)n1 376464503 SKTZZIPSWYTZNO-UHFFFAOYSA-N 293.367 1.245 0 50 CDAA COc1ccc(F)cc1C(=O)N1C[C@H](C)S(=O)[C@@H](C)C1 334188966 KHOZLTSTORMSTB-UWVGGRQHSA-N 299.367 1.816 0 50 CDAA CCOC(=O)c1n[nH]c(I)c1C 218996384 WKTRWGOQCIUKNI-UHFFFAOYSA-N 280.065 1.499 0 50 CDAA CCCCOC(=O)[C@H]1CN1[C@@H](CC)C(=O)OCC 35337319 OXNCNRWJPHRDLM-VJDHTCGKSA-N 257.330 1.356 0 50 CDAA CC(C)N1CC[C@H](NC(=O)c2cccc3c[nH]nc23)C1=O 335828991 QIEHJURSPXXORZ-LBPRGKRZSA-N 286.335 1.302 0 50 CDAA CN(C)C/C=C/C(=O)N1CC[C@H](O)c2ccccc2C1 378639585 UWEQAIMVRQHWNQ-PXTSUWAFSA-N 274.364 1.570 0 50 CDAA COC[C@@]1(C(=O)O)CCCN(C(=O)C(C2CC2)C2CC2)C1 263042270 ZSJFBNHRMPVJPY-MRXNPFEDSA-N 295.379 1.762 0 50 CDAA C[C@H](OC(=O)[C@H]1C[C@H]1c1ccccc1F)C(=O)N(C)C 240894843 IQICHOROJSQWPG-DLOVCJGASA-N 279.311 1.949 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2cc(C)nc3c2cnn3C)C1 133164587 FPPVWIZJGUZUPL-LLVKDONJSA-N 287.367 1.101 0 50 CDAA O=C(NC1CCS(=O)(=O)CC1)c1cc2sccc2[nH]1 188627063 MLJFHXPFUSFRIU-UHFFFAOYSA-N 298.389 1.536 0 50 CDAA CC(C)[C@@H]1CN(c2ccnc(C(N)=O)c2)CCCO1 338847528 VNYOPUQCBJYQPW-ZDUSSCGKSA-N 263.341 1.432 0 50 CDAA CN(C)CCc1noc(C[C@H](N)c2ccccc2)n1 134766288 RWSTWKIDDFVBEH-LBPRGKRZSA-N 260.341 1.416 0 50 CDAA Cc1ccc(CCNC(=O)COc2cccnc2)o1 222261261 QWLANMCVACJWSR-UHFFFAOYSA-N 260.293 1.721 0 50 CDAA COC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 40162923 XJJMQPAJFPCYDX-UHFFFAOYSA-N 251.669 1.828 0 50 CDAA O=C1C[C@H](C(=O)N2CCc3nocc3C2)c2ccccc2N1 426722742 ZBGFFFASHCNNNC-LBPRGKRZSA-N 297.314 1.685 0 50 CDAA CCN1CCN(C(=O)c2ccc3c(c2)ncn3C)[C@H](C)C1 288260061 FLQQAJXQDRXUPQ-GFCCVEGCSA-N 286.379 1.740 0 50 CDAA Cc1cc(C)nc(CNC(=O)[C@H]2CCC[C@H](O)C2)n1 222882524 WUXYRJDPRPJJPK-RYUDHWBXSA-N 263.341 1.261 0 50 CDAA CCN(Cc1nc(COC)no1)C(=O)c1c(C)noc1C 222983578 NPCPWYQJBNYXHZ-UHFFFAOYSA-N 294.311 1.483 0 50 CDAA O=C(NCCCOc1cccnc1)C1CCOCC1 426402036 SRUCRYFJRBMBPU-UHFFFAOYSA-N 264.325 1.393 0 50 CDAA Cc1ccc(OCCC(=O)N2CC[C@H](CN)C2)cc1C 178586372 QIQUDMURCHVSCC-CQSZACIVSA-N 276.380 1.880 0 50 CDAA O=C(c1cc2ccc(Cl)cc2[nH]1)N1CC(O)(CO)C1 615430266 UXLKKALNLLHHIF-UHFFFAOYSA-N 280.711 1.001 0 50 CDAA CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)O 143540163 OBPNUEHVTDHIPJ-STQMWFEESA-N 277.320 1.382 0 50 CDAA CN(C)c1ccc(C(=O)NCCNc2cccnc2)cn1 97654214 LTBIBMIQMRJJFM-UHFFFAOYSA-N 285.351 1.385 0 50 CDAA CC(C)[C@H]1CN(CCCn2cccn2)C[C@@H]1N(C)C 91664803 ZMFJVKPNEGJTQU-CABCVRRESA-N 264.417 1.791 0 50 CDAA C[C@H](c1ccon1)N(C)C(=O)c1n[nH]c2c1CCC2 426652801 CSHNJMGGRSUQNA-MRVPVSSYSA-N 260.297 1.720 0 50 CDAA C1CCN(CCc2nc([C@@H]3CCOC3)no2)CC1 96162799 DSGKJFPNPMVKKI-LLVKDONJSA-N 251.330 1.602 0 50 CDAA COc1ccc2c(c1)OC[C@H](Cc1cnc(N)nc1)C2 95527185 GAFXSFIYQKMRGA-SNVBAGLBSA-N 271.320 1.861 0 50 CDAA CCC[C@@H]1COCCN1C(=O)Nc1cccn2cnnc12 97244135 SDZVDZBITWPUNG-LLVKDONJSA-N 289.339 1.762 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@H](C)c1cncc(F)c1 332112936 AKIXZQSHSQIGCB-GGZOMVNGSA-N 252.289 1.823 0 50 CDAA O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC[C@@H]1CO 91892947 BAHUVJVEIJERQJ-SNVBAGLBSA-N 287.319 1.379 0 50 CDAA CN(C)C(=O)[C@@H]1CCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 248670981 STXLPEKZRUMZQA-XUXIUFHCSA-N 278.396 1.892 0 50 CDAA Cc1nn(C)cc1C(=O)NC1(C(=O)N(C)C)CCCCC1 297054488 VUAWQCRJKUVQLQ-UHFFFAOYSA-N 292.383 1.249 0 50 CDAA Cc1c[nH]c(CN(C)[C@H](C)C(=O)Nc2nccs2)n1 252493423 NBTASFJVGGUDBF-SECBINFHSA-N 279.369 1.634 0 50 CDAA CO[C@H](C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N)c1ccccc1 534633588 QPIBVKURGVKZIQ-YJNKXOJESA-N 274.364 1.570 0 50 CDAA CCc1nnc(CNC(=O)C[C@H]2CCCOC2)o1 534581837 URMJCFJDVWTIPN-SECBINFHSA-N 253.302 1.065 0 50 CDAA Cc1c[nH]c(C(=O)NCC2(Cn3ccnc3)CC2)n1 534646698 NVLUUZYDPDCYJL-UHFFFAOYSA-N 259.313 1.125 0 50 CDAA Cc1ncc(C(=O)NCc2nc(C(C)(C)C)no2)cn1 299798891 WHLPAFKQNVSBNI-UHFFFAOYSA-N 275.312 1.396 0 50 CDAA CCc1nc(C)sc1C(=O)NC[C@H]1COCCN(C)C1 299781523 DTBFTDFTPFLEIH-LLVKDONJSA-N 297.424 1.322 0 50 CDAA COc1cccc(C)c1C(=O)N[C@H](C)Cn1cncn1 824792729 WAHVRGPXNVDMDC-LLVKDONJSA-N 274.324 1.414 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccnn1C 822182773 VPLDNQQGXKNQKI-MRVPVSSYSA-N 261.329 1.261 0 50 CDAA Cc1nc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)cs1 584897961 LRVXJUSTGLZXCY-STQMWFEESA-N 295.408 1.123 0 50 CDAA Cc1cc(C)n(CCN(C)C(=O)Cc2ccncc2)n1 584889005 DGISVWJOARBUSI-UHFFFAOYSA-N 272.352 1.596 0 50 CDAA CCCN1CCCN(C(=O)c2cccc3ccnn23)CC1 584895742 YYIMIJWCNUKQGQ-UHFFFAOYSA-N 286.379 1.892 0 50 CDAA CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 685945204 SEUGCZVKZLGKQQ-JKSUJKDBSA-N 286.375 1.871 0 50 CDAA CC(C)(C)OC(=O)CC[C@H](N)C(=O)OC(C)(C)C 55160962 NTUGPDFKMVHCCJ-VIFPVBQESA-N 259.346 1.777 0 50 CDAA in-vitro COc1ccc2c(c1)C[C@@H](N1CCCNCC1)CC2 133311587 KFHDHLJUFSVFRZ-HNNXBMFYSA-N 260.381 1.848 0 50 CDAA Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3OCC[C@H]3[C@H]2N)c1Cl 1565513217 XANRWXWSNVQICV-GZFGJDTESA-N 298.745 1.632 0 50 CDAA C[C@]1(C(=O)NCc2cccc(OCC(F)F)n2)CCCN1 170070802 UODPPDJZORQGFJ-CQSZACIVSA-N 299.321 1.484 0 50 CDAA CC(C)(O)[C@@H]1CCCN1C(=O)C[C@@](C)(O)C1CC1 408039511 VYFDSFXDODXYRS-SMDDNHRTSA-N 255.358 1.299 0 50 CDAA COc1cccc(CN(C)C(=O)[C@H]2CCN(C)C2=O)c1 170598649 YMADEQMSKRIGGH-ZDUSSCGKSA-N 276.336 1.132 0 50 CDAA CC(C)C[C@H](CN)CC(=O)OCC(=O)N(C)C(C)C 408525706 VQQISRNPFXNECT-LBPRGKRZSA-N 272.389 1.408 0 50 CDAA CCN1CC[C@H](CNS(=O)(=O)c2ccc(C)s2)C1 170641608 PDZSWZGWJIWHEF-LLVKDONJSA-N 288.438 1.677 0 50 CDAA C[C@@H]1COC[C@@H]1NCCN(C)C(=O)OC(C)(C)C 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CCn1ccnc1CN1C[C@H](Cc2ccncc2)[C@@H](O)C1 1616076013 OWAXMIKJIFVIPE-GJZGRUSLSA-N 286.379 1.333 0 50 CDAA O=C(c1cccc2ncccc12)N1C[C@H](O)[C@@H](F)C1 1616110625 QYLOHDKWUAVDSA-AAEUAGOBSA-N 260.268 1.390 0 50 CDAA CSC[C@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)C(=O)O 1506428521 XMHNWVRKXOZTCJ-VIFPVBQESA-N 298.364 1.380 0 50 CDAA CCCO[C@H](C)CNC(=O)/C=C/c1cnc(N)nc1 1506405689 WOPLSEVDJJEVKQ-ORAHPGNNSA-N 264.329 1.003 0 50 CDAA CCn1ccc(CN2C[C@@H](O)[C@H](Cc3cc(C)no3)C2)n1 1529091053 NELMRIKDKFJNCH-IUODEOHRSA-N 290.367 1.235 0 50 CDAA CCN1CCCC[C@H]1CNc1ncc(F)c(N(C)C)n1 1529090285 FTLPZIOCJPAKFM-NSHDSACASA-N 281.379 1.968 0 50 CDAA CC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529180033 HVMWLUIETPHIJS-CJNGLKHVSA-N 270.332 1.928 0 50 CDAA COC(=O)c1sccc1NC(=O)C[N@@]1C[C@H]1C 1857525205 WZTQTUCHLJRMFW-FUXBKTLASA-N 254.311 1.177 0 50 CDAA O=C(NC[C@@H]1C[C@H]2CCCC[C@@H]2O1)[C@@H]1CCCO1 1857527706 JQLPRNDQLWVZOS-VOAKCMCISA-N 253.342 1.629 0 50 CDAA Cc1cc(CC(=O)N2CC(c3ccncc3)C2)on1 1857692456 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ACDDAJZIJAAEON-TXEJJXNPSA-N 271.272 1.840 0 50 CDAA Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c1 169616805 PGRMRNWEIFUHQE-WVZRYYJFSA-N 299.326 1.109 0 50 CDAA Cc1nc([C@H]2CCc3ncnn3C2)n(-c2ccncc2C)n1 1857680351 LDQCDVDWTBWEQU-LBPRGKRZSA-N 295.350 1.601 0 50 CDAA CCCO[C@@H]1C[C@@H](C(=O)NCc2cccnc2)CC[C@H]1N 1857729783 GUBAZHRESUVCPC-RRFJBIMHSA-N 291.395 1.620 0 50 CDAA NC(=O)N1CCOc2ccc(Br)cc2C1 225792075 JSJXRAPCMPHEAX-UHFFFAOYSA-N 271.114 1.722 0 50 CDAA C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CC(=O)O 237679116 HUGSHXNMLRGPAF-ZFWWWQNUSA-N 276.380 1.913 0 50 CDAA Cc1nn(C)c2ncc(CN3CC[C@@](O)(C(F)F)C3)cc12 449476598 VOWFPSNSHSWFFP-AWEZNQCLSA-N 296.321 1.479 0 50 CDAA Cc1ccc(Cc2nnn(C[C@H](O)C(C)(C)C)n2)cc1 241213341 KOFKLKPTZQMRKH-ZDUSSCGKSA-N 274.368 1.979 0 50 CDAA CCNC(=O)N[C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C 245316874 LACLLWAMJGFKJS-ZWNOBZJWSA-N 296.440 1.981 0 50 CDAA Cc1ccc2cc(C(=O)N3CCCN(C)C(=O)C3)[nH]c2c1 252536892 JSLZTLIEMPAISS-UHFFFAOYSA-N 285.347 1.781 0 50 CDAA CNC(=O)CNC(=O)NCC[C@@H](C)c1ccccc1 253392416 UDPRIQRPFFAOBW-LLVKDONJSA-N 263.341 1.225 0 50 CDAA COc1cccc(OCC(=O)N2CCC[C@H](N)C2)c1 157840768 MRQKGZOWMBTXJN-NSHDSACASA-N 264.325 1.024 0 50 CDAA C[C@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(C(=O)O)s1 164041792 PKVTWBSCKPIJJB-SFYZADRCSA-N 289.378 1.865 0 50 CDAA O=C(O)c1cncc(NC(=O)[C@H]2CCc3cncn3C2)c1 902044191 ZYYHKMUYFKLJIC-VIFPVBQESA-N 286.291 1.177 0 50 CDAA COc1ccc(S(=O)(=O)NCCCN(C)C)cc1C 10111428 ADUDCZRNLSLGOL-UHFFFAOYSA-N 286.397 1.234 0 50 CDAA Cc1nn2c(c1I)NC[C@H](C)C2 1857784246 XFLNJWNPBJSVCH-YFKPBYRVSA-N 277.109 1.858 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H](C)Cc1cccc(O)c1 860237700 ZMOSHTPEVJDTSV-NSHDSACASA-N 276.336 1.084 0 50 CDAA CN(CCC(=O)O)[C@H]1CCN(c2ccccc2Cl)C1=O 237243125 SUEADDGEWQUGCI-LBPRGKRZSA-N 296.754 1.852 0 50 CDAA COC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1875291878 OOEZQLSUIAYTCM-SJHCENCUSA-N 281.352 1.513 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)N2C[C@@H]3C[C@H]3C2)C1 1875272544 BDVVFHWELUUDPU-RWMBFGLXSA-N 251.374 1.474 0 50 CDAA O=C(c1cc(O)nc2ncccc12)N1CCc2n[nH]cc2C1 1875324526 BWALESJGLBFMNX-UHFFFAOYSA-N 295.302 1.257 0 50 CDAA Cc1nnn(CCN[C@H]2CCC[C@H](c3ccnn3C)C2)n1 1875391875 WSFNNQZKYWLIQC-STQMWFEESA-N 289.387 1.031 0 50 CDAA Cc1c(NC(=O)c2ccc(Cl)cc2)c(C(N)=O)nn1C 1875388044 KWTONCZRPFCOBJ-UHFFFAOYSA-N 292.726 1.733 0 50 CDAA Cc1nn(CC(=O)Nc2ccc(C3CC3)cc2F)c(=O)o1 881443904 ZQHDMADNFMPQAE-UHFFFAOYSA-N 291.282 1.800 0 50 CDAA CC(C)(O)[C@H](O)C(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 888831675 RABIYCXAQRRRSK-GHJWDPDVSA-N 290.363 1.051 0 50 CDAA O=C(NC[C@@H]1CCn2ccnc2C1)c1ccn2cncc2c1 1775959260 RPJFWTANOVBOSV-GFCCVEGCSA-N 295.346 1.523 0 50 CDAA CCOC(=O)[C@@H](C)N1CCC2(CCCN2C)CC1 253392554 GERAJLFMMCNBSM-GFCCVEGCSA-N 254.374 1.498 0 50 CDAA C[C@@]1(C(=O)NCc2cccc3cccnc23)CCNC1 159358563 WTPVAIDPDCWZEL-MRXNPFEDSA-N 269.348 1.851 0 50 CDAA Cc1cc(CN(C)c2ncnc(N)c2Cl)no1 277332409 FFCVGOQUKWPTOO-UHFFFAOYSA-N 253.693 1.645 0 50 CDAA CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc(CCO)cc2)C1 294416957 WQNZQFGLXUFWOF-CABCVRRESA-N 297.420 1.989 0 50 CDAA COC(=O)[C@@H](C(=O)Nc1cc(C)on1)C1CCCC1 33716 AUSHKTNNVSMUSM-LLVKDONJSA-N 266.297 1.901 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)N1CC(n2nc(C)cc2C)C1 2100482728 UPVLHRTXRVTRNY-GFCCVEGCSA-N 296.440 1.352 0 50 CDAA O=C(O)[C@]12CN(Cc3cccc4[nH]ccc34)C[C@H]1CCO2 2325787094 AGLZIGQZTVEKBN-WBMJQRKESA-N 286.331 1.843 0 50 CDAA CN1C[C@@H](NC(=O)[C@@H]2[C@H]3CCCCC[C@H]32)CCC1=O 2325790203 ZWKHMXQUUJPWGT-CIQGVGRVSA-N 264.369 1.550 0 50 CDAA Cn1cc(-c2ccc(Cn3cc(CO)cn3)cc2)cn1 2325844028 WYZXMLLCKYJBOH-UHFFFAOYSA-N 268.320 1.824 0 50 CDAA C[C@H]1CC(=O)NN1C(=O)c1ccc(-c2cn[nH]c2)cc1 1433600352 YZKBJDIIJGXXNU-VIFPVBQESA-N 270.292 1.342 0 50 CDAA CN(C[C@@H](O)CN)C[C@@H](O)c1ccc(Cl)cc1Cl 923365843 GXBNYRLBQDQCML-JOYOIKCWSA-N 293.194 1.278 0 50 CDAA CCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 91154 WIJBWJWHBZDCAI-JTQLQIEISA-N 275.301 1.357 0 50 CDAA CCON1C(=O)C(C)(C)N(OCC)C(=O)C1(C)C 337834 IGJUAEOZWYIZGD-UHFFFAOYSA-N 258.318 1.117 0 50 CDAA Cc1cc2c(cc1N)N[C@@]1(O)c3ccccc3C(=O)[C@@]1(O)N2 457770 WBQVAYIIQIIEJF-CVEARBPZSA-N 297.314 1.145 0 50 CDAA Cn1nnc2cc(C(=O)N3CCSCC3)ccc21 619155 XPSOYCBQGAPGDD-UHFFFAOYSA-N 262.338 1.157 0 50 CDAA CC(C)(C)OC(=O)N1CCC([C@H](N)C(=O)O)CC1 2576119 UPEUKKCILASJSH-VIFPVBQESA-N 258.318 1.045 0 50 CDAA CCCCNC(=O)C(=O)Nc1ccccc1OCC 2994179 XVGDGXGRKYIQLH-UHFFFAOYSA-N 264.325 1.940 0 50 CDAA O=C(CCNC(=O)c1ccccc1)Nc1nccs1 3565950 SUFFWUGSNMYYIK-UHFFFAOYSA-N 275.333 1.902 0 50 CDAA CCOC(=O)c1c(C)c(C(=O)OCC)n(C)c1C 4006098 GMKILXWDKRXSNM-UHFFFAOYSA-N 253.298 1.995 0 50 CDAA COC(=O)c1ccc(N2CCOCC2)c(NC(C)=O)c1 6697648 IGQDBTCMXDGOPU-UHFFFAOYSA-N 278.308 1.268 0 50 CDAA Cc1nnc(N2CCN(Cc3ccccc3)CC2)nc1O 8673113 DRDXDSPXZQAJCQ-UHFFFAOYSA-N 285.351 1.208 0 50 CDAA COC(=O)c1cncnc1/C=C/c1cn(C(C)(C)C)nn1 225732218 GRRXAFDXDYRVIZ-AATRIKPKSA-N 287.323 1.780 0 50 CDAA COc1ccc(C(=O)N(C)[C@@H]2CCNC2)c(F)c1 226249716 LOUAYKJTIKZJDP-SECBINFHSA-N 252.289 1.268 0 50 CDAA COc1cc(CN2CCC[C@@H](CO)C2)ccc1O 23115116 NZFPAOIVNXCIEP-GFCCVEGCSA-N 251.326 1.605 0 50 CDAA C[C@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)C[C@@H](C)N1 246890990 IYWQTAPYDNFYJV-ZENOOKHLSA-N 288.391 1.899 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)N(C)C)C1 247443226 XMAVECNMTCSHCA-BPUTZDHNSA-N 289.423 1.875 0 50 CDAA COCC1(C(=O)N[C@H](c2ncnn2C)C2CC2)CCC1 65425907 PLHJSZXOFRYMQL-NSHDSACASA-N 278.356 1.199 0 50 CDAA Cc1nc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cn1C 66086194 SELNOIMPPOXEAA-JTQLQIEISA-N 294.380 1.296 0 50 CDAA CCc1cnc(C)nc1N(C)C[C@@H]1COCCO1 65385515 HEZRWWWIYNVBCW-GFCCVEGCSA-N 251.330 1.199 0 50 CDAA C[C@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C1CC1 136907434 RQMWXPIZGYGBOJ-WCFLWFBJSA-N 292.379 1.466 0 50 CDAA O[C@H](c1ccccc1)c1nncn1-c1cccnc1 67740086 ZLBYZAOPPORGJE-CYBMUJFWSA-N 252.277 1.744 0 50 CDAA O=C(NCCN1CCOCC1)c1cccc2cccnc12 22501032 YMFMTCCBOQCDEG-UHFFFAOYSA-N 285.347 1.297 0 50 CDAA O=C(CNCCCN1CCCC1)NCc1ccccc1F 65417534 QZCUTPBCFFYLEZ-UHFFFAOYSA-N 293.386 1.517 0 50 CDAA CCCCNC(=O)CN(C)C(=O)c1ccoc1C 67955716 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253.298 1.189 0 50 CDAA COC1(CC(=O)N2CCC[C@](C)(C(=O)O)C2)CCC1 234576804 SFZWZEUXXKTLFL-ZDUSSCGKSA-N 269.341 1.659 0 50 CDAA O=C([C@@H]1CSCN1C(=O)[C@@H]1CC12CC2)N1CCCC1 334998389 SUIPLQBPKDVGHZ-QWRGUYRKSA-N 280.393 1.310 0 50 CDAA CC(C)[C@](C)(CN)NS(=O)(=O)c1ccccc1 131178532 UZIDXYDYYHANSF-LBPRGKRZSA-N 256.371 1.338 0 50 CDAA CCOc1ncccc1C(=O)N(C)[C@@H](C)C(=O)O 262837259 GLNZDGVENLOEIX-QMMMGPOBSA-N 252.270 1.025 0 50 CDAA O=C1CCN(C(=O)OCc2ccccc2)C[C@@H]1F 32915012 JECCYYOJLNSUHX-NSHDSACASA-N 251.257 1.936 0 50 CDAA in-vitro O=C(CCc1ccc(O)nn1)NCc1cccn2nccc12 1772804003 CETWVDAIFHTZJL-UHFFFAOYSA-N 297.318 1.079 0 50 CDAA N=C(N)NC(=N)Nc1ccc(Br)cc1 5785454 GVZIHTVADXTMQR-UHFFFAOYSA-N 256.107 1.279 0 50 CDAA O=C(C1CCOCC1)N1CCO[C@H](Cc2ccccc2)C1 11932928 FYACQQRQKUXZSL-MRXNPFEDSA-N 289.375 1.883 0 50 CDAA C[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C)C2)C1 12417763 KHMRLDMXJPZIBQ-TXEJJXNPSA-N 252.358 1.503 0 50 CDAA CCCOc1cccc(C(=O)NCCN2CCOCC2)c1 13744216 TXDWIKLFXIKVAC-UHFFFAOYSA-N 292.379 1.537 0 50 CDAA O=C(O)C1CCN(c2nc3ccccc3n3cnnc23)CC1 16545202 JGPXKOYJNAGZMV-UHFFFAOYSA-N 297.318 1.579 0 50 CDAA O=C(NC1(CO)CC=CC1)c1cc(C(F)F)[nH]n1 1857690859 PCDXQCYIPOWYGS-UHFFFAOYSA-N 257.240 1.158 0 50 CDAA Cc1nc(CN2CCC[C@@]3(CC2)CN(C)C(=O)O3)cn1C 1857691939 HJMSFFRHUWLBQV-OAHLLOKOSA-N 292.383 1.535 0 50 CDAA Cc1nc2nc(C)c(NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)c(=O)n2[nH]1 1875245863 BDQZESZCHGRXEP-OUAUKWLOSA-N 299.334 1.185 0 50 CDAA [O-][n+]1cc(Br)cc(Br)c1 343303 QBUQQUOGXPOBAQ-UHFFFAOYSA-N 252.893 1.845 0 50 CDAA in-vitro C[C@@H](CNC(=O)[C@H]1CCOc2ccccc21)C(=O)O 111185672 VOEKIMWMQBFOCA-ONGXEEELSA-N 263.293 1.390 0 50 CDAA CC[C@@H]1CN(c2ncnc3n[nH]cc23)C[C@@H](CC)O1 643194759 WMILKHOYIWBDPG-NXEZZACHSA-N 261.329 1.747 0 50 CDAA Cc1noc([C@@H]2CN(Cc3cccnc3C)CCN2C)n1 332364569 VRLOBWMAKYCECU-AWEZNQCLSA-N 287.367 1.570 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cc(C)n1 247854179 BVMSXDPZQROXBH-KGLIPLIRSA-N 288.347 1.881 0 50 CDAA CC[C@H](N)c1nc(Cn2cnc3ccccc32)no1 566214874 HBZAMZFLAUUBJQ-VIFPVBQESA-N 257.297 1.877 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)Cc2cccc3cccnc23)C1 261903262 VGQNTBYSBDFFCM-CYBMUJFWSA-N 284.315 1.710 0 50 CDAA O=C(NCCCCO)c1c[nH]ccc1=Nc1ccccc1 585121294 LDIMPWLQWPPZFV-UHFFFAOYSA-N 285.347 1.749 0 50 CDAA CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](C(=O)O)C1 379476697 VPSLWYNQRHKRMF-JTQLQIEISA-N 280.324 1.940 0 50 CDAA C[C@@]1(Br)C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)O 902521856 SUJBYRRTQCQMLN-SOCHQFKDSA-N 290.157 1.626 0 50 CDAA c1cnc(N[C@@H]2CCN(CCOC3CCOCC3)C2)nc1 903019464 NHPYTKLMILKHJR-CYBMUJFWSA-N 292.383 1.158 0 50 CDAA C=CC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)OC 1120552416 ACABZLSQWMPTIC-DGCLKSJQSA-N 261.321 1.709 0 50 CDAA Cc1nonc1CNC(=O)N1CCC[C@@H]1[C@H]1CCCO1 873282779 GDTGVCYMZCOXMI-VXGBXAGGSA-N 280.328 1.231 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCS[C@H](CC)C2)CC1 1875369577 WSBFFRHGJFJDDK-CYBMUJFWSA-N 296.436 1.765 0 50 CDAA O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3CCCS3)[C@@H]2C1 1875306010 PKQKBUUWTOIJPC-QGKZMRNZSA-N 269.366 1.498 0 50 CDAA O=C(c1cnc2[nH]ccc2n1)N1CCC[C@@H]1c1ncccn1 1875310002 YDSUWTUMONNPJF-GFCCVEGCSA-N 294.318 1.725 0 50 CDAA CC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C12CC(CO1)C2 1875329101 DOZMCAIRTARPNX-FWTYKGILSA-N 292.379 1.071 0 50 CDAA COC[C@](C)(NC(=O)C1C(C)(C)C1(C)C)C(=O)O 237119367 AJGSGMPEBYXBPX-ZDUSSCGKSA-N 257.330 1.275 0 50 CDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2cn[nH]c2)C1 886082586 SECCBCOEPKEZTI-MCIONIFRSA-N 292.383 1.124 0 50 CDAA Cc1cccnc1C(=O)N[C@@]1(c2ncc[nH]2)CCOC1 886094209 UOVAMNHKJGKSKI-AWEZNQCLSA-N 272.308 1.159 0 50 CDAA Cn1cc([C@](C)(O)CNCc2cnc(C3CC3)o2)cn1 888100636 XSTHAEVNMQSXPP-CQSZACIVSA-N 276.340 1.283 0 50 CDAA CCOCc1nc(C)cc(N2CCC[C@@H]2CO)n1 892073731 UPYHEUUAZBFGSY-LLVKDONJSA-N 251.330 1.283 0 50 CDAA Cn1cnc2c1CCN(c1nccn3ccnc13)C2 892391009 QADVPUPGIPULMJ-UHFFFAOYSA-N 254.297 1.026 0 50 CDAA CC(C)c1cc(NC(=O)[C@]23CNC[C@H]2CCOC3)n[nH]1 1772264721 YEAPQZOCKGPLPW-YGRLFVJLSA-N 278.356 1.098 0 50 CDAA c1cn(-c2cc(N3CC4(CCOCC4)C3)ncn2)cn1 893937756 KGQVQUKCVFQHHG-UHFFFAOYSA-N 271.324 1.279 0 50 CDAA C[C@H]1C[C@@H](CNC(=O)N2C[C@H](F)[C@H](F)C2)CCO1 1775987823 RSTZSDBIKCVQHM-XWLWVQCSSA-N 262.300 1.503 0 50 CDAA Cn1ccc2[nH]c(C(=O)N3[C@H]4CC[C@H]3[C@H](CO)C4)cc21 1775987643 NRPYULFAIYWEKK-KWBADKCTSA-N 273.336 1.492 0 50 CDAA C=CC(=O)N1CC[C@]2(C[C@H](O)c3ccccc3O2)C1 1776003758 AEFUOCQHNSCKIF-WFASDCNBSA-N 259.305 1.660 0 50 CDAA Cc1csc(N2C(=O)N[C@@](C)(Cn3cccn3)C2=O)n1 899305696 URYAJRLXUBBMQL-LBPRGKRZSA-N 291.336 1.163 0 50 CDAA CN1CCN(Cc2cc(-c3ccccc3)on2)CC1=O 284932748 IHJIFZHNTJRASD-UHFFFAOYSA-N 271.320 1.616 0 50 CDAA O=C(N[C@@]1(CO)CCOC1)c1ccc(Cl)cc1F 182847385 NPYCQNKUBAGZOA-GFCCVEGCSA-N 273.691 1.360 0 50 CDAA CSCCCC(=O)N(C[C@H]1CCCN1)C1CC1 186503454 CDUKMTZAZSBHCQ-LLVKDONJSA-N 256.415 1.873 0 50 CDAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@](O)(CO)C1 72150944 ZYFZAAQOFJJLBJ-OAHLLOKOSA-N 274.320 1.127 0 50 CDAA O=C(O)CCCNC(=O)N1CCC(F)(F)CC1 405133112 SAUZAGIGNHXPMO-UHFFFAOYSA-N 250.245 1.292 0 50 CDAA CC1(C)C[C@@H](CN=c2ccc3nncn3[nH]2)CCO1 577837499 GWWRVWOIDRONSK-JTQLQIEISA-N 261.329 1.163 0 50 CDAA Cc1csc(CN(C)CC[C@@H]2CCS(=O)(=O)C2)n1 584897270 QCPFMGKEWHOZGN-LLVKDONJSA-N 288.438 1.708 0 50 CDAA O=C(O)CC1CC(NC(=O)c2ccc(Cl)o2)C1 718043981 PXAOIGWZRLUFSC-UHFFFAOYSA-N 257.673 1.916 0 50 CDAA Oc1ccc2c(c1)CN(C[C@@H]1C[C@H]3COC[C@H]3O1)CC2 929992692 VEIAUJGAWSFGPL-CWRNSKLLSA-N 275.348 1.554 0 50 CDAA N=c1[nH]nc(-c2ccc(-c3cccc(CO)c3)o2)[nH]1 2100545440 VHAKEYWZUBRKAV-UHFFFAOYSA-N 256.265 1.637 0 50 CDAA O=C(N[C@H]1CNCC[C@H]1O)c1csc2ccccc12 534590755 HQPHZWVKJBLKCN-NWDGAFQWSA-N 276.361 1.354 0 50 CDAA COc1ccnc(CN2CC[C@H](C(=O)O)CC2(C)C)n1 2325803213 YCUVFAAKAQNPFH-JTQLQIEISA-N 279.340 1.560 0 50 CDAA C[C@H]1CCCCCN1c1ncnc2c1ncn2C[C@@H](C)O 2325815224 VUCQGHJNVKWWBE-NWDGAFQWSA-N 289.383 1.976 0 50 CDAA C/C=C/C[C@@H](C)C(=O)N1CC[C@@H](c2nc(=O)o[nH]2)C1 2325821840 FQQBOZUKSUQGSJ-HIHHVFROSA-N 265.313 1.281 0 50 CDAA O=C(Cn1cccn1)NCC1(c2ccccc2)CCOCC1 121840363 VSTOWZOXHVCETL-UHFFFAOYSA-N 299.374 1.748 0 50 CDAA Cc1cn(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(C)n1 169768 FFAQEMAFCCOWFP-SNVBAGLBSA-N 297.314 1.825 0 50 CDAA COc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1 186788 WDOLGAIIEFTUSL-UHFFFAOYSA-N 287.319 1.579 0 50 CDAA Cc1occc1C(=O)N1CCN(c2ncccn2)CC1 460546 TVQPMZBUNIYYON-UHFFFAOYSA-N 272.308 1.340 0 50 CDAA O=C(NCCCCNC(=O)c1cccnc1)c1cccnc1 1541027 SVRNFYIIGAWRNX-UHFFFAOYSA-N 298.346 1.417 0 50 CDAA O=C(CN1CCOC1=O)NCc1cccc2ncsc12 2356135807 ULFLTKMUPYLZIU-UHFFFAOYSA-N 291.332 1.365 0 50 CDAA CN1CCOC2(CCN(C(=O)C3(O)CCCCC3)CC2)C1 2356137188 IITZABCTXOMENJ-UHFFFAOYSA-N 296.411 1.005 0 50 CDAA Cn1c(SCC(=O)NC2CC2)nnc1C1CC1 6741391 NHBHLCHWOUEADB-UHFFFAOYSA-N 252.343 1.063 0 50 CDAA CC[C@@H](CO)N(Cc1ccccn1)Cc1ncc[nH]1 55109040 AVHNXMZIRBBWQM-ZDUSSCGKSA-N 260.341 1.578 0 50 CDAA COC(=O)c1ccc(CNC(=O)[C@H]2CCCCN2C)cc1 20783914 LPDJVNFTBGTQCQ-CQSZACIVSA-N 290.363 1.574 0 50 CDAA CCOc1ccc(C(=S)N2CCN(CCO)CC2)cc1 20352309 ABYMVDNFVMLCLF-UHFFFAOYSA-N 294.420 1.371 0 50 CDAA CCC[C@H]1COCCN1Cc1cnc(OC)nc1 67447326 PEZDLSMPPBMORF-LBPRGKRZSA-N 251.330 1.486 0 50 CDAA c1ccc([C@@H]2NCCc3[nH]cnc32)c(Cn2cccn2)c1 65409508 PDMSTCKGCOTDJV-HNNXBMFYSA-N 279.347 1.890 0 50 CDAA CCC1CCC(C(=O)NCc2nc(CN(C)C)no2)CC1 67982090 WXNWVPMNKJJKFT-UHFFFAOYSA-N 294.399 1.964 0 50 CDAA CN(CCn1ccc2ccccc21)C(=O)C1=NNC(=O)CC1 67805390 CARUZJUEHFZIPF-UHFFFAOYSA-N 298.346 1.366 0 50 CDAA c1coc(-c2nn3c(CN4CCOCC4)nnc3s2)c1 36357521 OIIJUXAJJVCCSR-UHFFFAOYSA-N 291.336 1.278 0 50 CDAA C[C@H](c1nnnn1C)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 329793508 VOYXMAGMIQPNJZ-OUAUKWLOSA-N 265.361 1.161 0 50 CDAA O[C@@H]1COCCN(C2CCN(Cc3ccccc3)CC2)C1 77320759 OFVCMANMBHJEQI-KRWDZBQOSA-N 290.407 1.344 0 50 CDAA NC[C@H]1CCCN1C(=O)Cc1cccc(Cl)c1 122332158 VEEJZMGUTOTBQC-GFCCVEGCSA-N 252.745 1.832 0 50 CDAA O=C(CC1(CC(=O)N2CCCO2)CCCC1)N1CCCO1 152625624 ZWLAWQJRTVLUGC-UHFFFAOYSA-N 296.367 1.655 0 50 CDAA CN=c1nc(C(=O)N2CC[C@H](c3ccccc3)C2)cc(C)[nH]1 366810353 RJXHPVMCAMEUPJ-AWEZNQCLSA-N 296.374 1.878 0 50 CDAA Cn1ncnc1NS(=O)(=O)c1ccc2ccccc2c1 126925637 SWBYUZQVUPRBJJ-UHFFFAOYSA-N 288.332 1.769 0 50 CDAA CCc1nsc(N2CC[S@@](=O)CC[C@H]2C)n1 369349166 LHZGVAIKERKYBT-BCTVWOGZSA-N 259.400 1.448 0 50 CDAA CC[C@@H](NC(=O)[C@@H](C)CNC)c1ccc2c(c1)OCCO2 236921739 XQLXXMPERXBBHJ-WCQYABFASA-N 292.379 1.881 0 50 CDAA COCCS(=O)(=O)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 174249750 NKIBYXHRYHNAFM-NEPJUHHUSA-N 289.397 1.295 0 50 CDAA Cc1cccc(-c2nccn2CCc2nc(C)cc(=O)[nH]2)n1 71745993 GJQMNRRDXGFJBX-UHFFFAOYSA-N 295.346 1.888 0 50 CDAA Cc1nc(/C=C/C(=O)N2CCN[C@@H](C)C2)cs1 237636114 WNNYDJSCTKSSMJ-NWALNABHSA-N 251.355 1.285 0 50 CDAA O=C(C1CCNCC1)N1CCC[C@H](C[C@H]2CCOC2)C1 374804233 BBKGSAZASQQTDM-ZIAGYGMSSA-N 280.412 1.651 0 50 CDAA O=C(O)C[C@@H](NC(=O)[C@H]1CCCO1)c1cccs1 238149885 GXMRHJOWOBPZFS-RKDXNWHRSA-N 269.322 1.559 0 50 CDAA O=S(=O)(N[C@H]1C[C@@H]2OCC[C@H]12)c1c(F)cccc1F 222847454 XXKZBFICUGCRHE-GGVZMXCHSA-N 289.303 1.421 0 50 CDAA C[C@@H]1CC[C@H](NC(=O)NC(=O)CCCC(=O)O)C1 133205458 NZZPDYRHGAWGDU-BDAKNGLRSA-N 256.302 1.256 0 50 CDAA Cc1cn2cc(C(=O)N3CC[C@@H](N(C)C)C3)ccc2n1 82108867 OKOVLFYGAGJTLF-CYBMUJFWSA-N 272.352 1.419 0 50 CDAA Cc1nc([C@@H]2CCCN(C(=O)c3ccoc3)C2)cc(=O)[nH]1 82137829 MXNZZNZHBVUTBY-LLVKDONJSA-N 287.319 1.691 0 50 CDAA CCc1nc(NC(=O)NCCc2scnc2C)nn1C 48130274 VXXXICHSNZEKNT-UHFFFAOYSA-N 294.384 1.507 0 50 CDAA Cc1nc(NC(=O)N2CCC(O)CC2)nn1C(C)C 48390804 LCQYQFQOEMBNMV-UHFFFAOYSA-N 267.333 1.156 0 50 CDAA Cc1[nH]ncc1CCCNC(=O)[C@@H]1CCCN[C@@H]1C 289770081 IODIJLYYWVUYRL-DGCLKSJQSA-N 264.373 1.155 0 50 CDAA CC[C@H](NC(=O)c1cccc(O)c1C)C1CC(O)C1 223271194 XGWZVJJXZVGJDV-XIVSLSHWSA-N 263.337 1.980 0 50 CDAA O=C(O)[C@@H](c1ccccc1)N1Cc2cccnc2C1=O 40449778 GWKNPZHMBBPYBJ-CYBMUJFWSA-N 268.272 1.863 0 50 CDAA CC(C)(C)OC(=O)NCC(=O)NC1CCCCC1 49397796 QNEDZRDYGQNWLG-UHFFFAOYSA-N 256.346 1.960 0 50 CDAA Cc1cc(=O)cc(C(=O)NC2(CC(=O)O)CCCCC2)[nH]1 426693808 QRPLNONANZVDEE-UHFFFAOYSA-N 292.335 1.591 0 50 CDAA O=C(O)c1ncc2c(I)c[nH]c2n1 238682308 NEBKEHIDEKDSOG-UHFFFAOYSA-N 289.032 1.261 0 50 CDAA CC(C)[C@H](NC(=O)CCC(=O)O)c1cccnc1 426471295 BSWLYXUCYRRUDA-ZDUSSCGKSA-N 250.298 1.760 0 50 CDAA OCCOc1ccccc1-c1cn(Cc2ccccn2)nn1 91440936 DAFUEMQABQACNC-UHFFFAOYSA-N 296.330 1.760 0 50 CDAA O=C(c1ccn2nnnc2c1)N1CCCCCCC1 97499519 XHGNTSNWQMQRFP-UHFFFAOYSA-N 259.313 1.531 0 50 CDAA CCc1ccc(C(=O)N2CCC3(CC2)[C@@H](OC)C[C@H]3O)[nH]1 91737247 LRVQYZDCTWBPKA-KGLIPLIRSA-N 292.379 1.579 0 50 CDAA CN(C)c1cnn(Cc2noc(C3CCCC3)n2)c(=O)c1 95386409 JSHKRSBUXITRPP-UHFFFAOYSA-N 289.339 1.398 0 50 CDAA COCCCN1CC[C@H](CNc2ncccn2)C1 91562710 RWZQEKBRBTVRKE-GFCCVEGCSA-N 250.346 1.247 0 50 CDAA Cn1cnc(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)n1 295646814 UIAJHNJJYZERKO-LBPRGKRZSA-N 292.289 1.901 0 50 CDAA CN(C)C(=O)CCN(Cc1cocn1)Cc1cocn1 244584335 CXLWDERVPGHMGQ-UHFFFAOYSA-N 278.312 1.143 0 50 CDAA O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cc[nH]n1 524733705 HMZIYXXGZCVDAF-UHFFFAOYSA-N 289.343 1.376 0 50 CDAA Cc1ccccc1[C@]1(O)CCN(CCn2cncn2)C1 244718886 LSSUBFMFACMUEO-HNNXBMFYSA-N 272.352 1.180 0 50 CDAA Cc1ncsc1C(=O)N[C@@H]1CCc2nccn2C1 623790629 TURUVCGWTAGVTG-SECBINFHSA-N 262.338 1.393 0 50 CDAA CC(C)(N)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 299747475 DDDXEHCWNCVGFB-AWEZNQCLSA-N 294.370 1.835 0 50 CDAA O=C(Cc1c(F)cccc1Cl)N1CCO[C@H]2CNC[C@H]21 299744660 UAPNTJYYHBSUGD-OLZOCXBDSA-N 298.745 1.221 0 50 CDAA COCc1noc(CNC(=O)CN2CCCCCCC2)n1 534576185 NCUONHQSSDQFNL-UHFFFAOYSA-N 296.371 1.098 0 50 CDAA CN1CCC[C@@H](CCNc2cccc(C(N)=O)n2)C1 534654385 CANGQWYTZXWAFW-NSHDSACASA-N 262.357 1.324 0 50 CDAA O=C(Nc1ccc(-c2ccccc2)cc1)N[C@@H]1CNC[C@H]1O 534587523 XPFOQIWSQBGKMQ-HZPDHXFCSA-N 297.358 1.808 0 50 CDAA O=C(CCc1ccncc1)NCC[C@H]1CCCOC1 534661747 SPZOSGWNIVKZEY-CQSZACIVSA-N 262.353 1.947 0 50 CDAA O=C(N[C@]1(CCO)CCOC1)[C@@H]1CCOc2ccccc21 278231000 YJSCCKXYOFGIST-CZUORRHYSA-N 291.347 1.210 0 50 CDAA O=C1NC2(CCCC2)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12 828301454 FUEXYSSXGKMUCI-CQSZACIVSA-N 297.358 1.638 0 50 CDAA CCCc1nc(N2CCC(N(C)CCN(C)C)CC2)no1 823023305 AZVHYUPVUMFANJ-UHFFFAOYSA-N 295.431 1.484 0 50 CDAA O=S(=O)(N1CCCC1)N1CC(Oc2ccccc2)C1 828388678 VGNZSJRFYZWODC-UHFFFAOYSA-N 282.365 1.090 0 50 CDAA Nc1nc2c(c(C(=O)N3CCSCC3)n1)CCCC2 827587380 ODNVTTPPLCFCJG-UHFFFAOYSA-N 278.381 1.127 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)CCn1cncn1 584887966 HIHDVONLJLALOZ-UHFFFAOYSA-N 296.334 1.270 0 50 CDAA Cn1ccnc1C(=O)N[C@@H]1CCc2ccccc2C1 741259694 KRCMUASTMDCQNN-CYBMUJFWSA-N 255.321 1.707 0 50 CDAA CO[C@@H]1CCCC[C@H]1NC[C@H](O)c1ccccn1 1336711320 VWMRCPVRWIGROS-HZSPNIEDSA-N 250.342 1.662 0 50 CDAA NC[C@@H]1CNC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 757218609 VHILDOGCIBXCCO-DBIOUOCHSA-N 265.323 1.101 0 50 CDAA CN(Cc1cncnc1)C[C@@H]1CC(=O)N(C(C)(C)C)C1 952964171 OAEXGAQUGZIOOE-LBPRGKRZSA-N 276.384 1.555 0 50 CDAA O=C(c1cc2c([nH]1)CCC2)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 1549424914 FVAUJJWALILOPY-RWMBFGLXSA-N 274.364 1.736 0 50 CDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)C(C)(C)OC 952868604 DBCFFUSMLFAAMA-LLVKDONJSA-N 270.373 1.271 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCC(C(=O)O)CC2)s1 268956798 YTWOZPRTVSMAPH-NSCUHMNNSA-N 280.349 1.788 0 50 CDAA CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CO)C1 91692694 QUZQGMWILDEHEY-QMMMGPOBSA-N 251.273 1.871 0 50 CDAA in-vitro Cc1ccc(C(=O)N2C[C@H]3[C@H](N)CC[C@H]3C2)s1 170078307 VKWPZQKIWRYBCF-HBNTYKKESA-N 250.367 1.866 0 50 CDAA Cc1nc(NC(=O)c2ccc3nc(S)oc3c2)n[nH]1 170647577 GYTLIFORJNICSH-UHFFFAOYSA-N 275.293 1.795 0 50 CDAA CC(C)(NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCO2 408513217 KSWTYTOQYLXYKR-VHSXEESVSA-N 291.303 1.487 0 50 CDAA C[C@@H]1C[C@@H](C)CN(C(=O)CN[C@H]2CCCn3nccc32)C1 640215589 GCSCWUCFDJYYJL-MCIONIFRSA-N 290.411 1.812 0 50 CDAA CC(C)(C)c1nc(Cn2cc(F)ccc2=O)no1 190730584 BKENMBKCJQHHDU-UHFFFAOYSA-N 251.261 1.716 0 50 CDAA C[C@@H](C[S@](C)=O)N(C)Cc1cn(C(C)(C)C)nn1 191491680 QEJCCYOOZWCCKA-YPMLDQLKSA-N 272.418 1.232 0 50 CDAA Cc1ccc(CN2CC[C@H](C(N)=O)C2)cc1Cl 193588904 NEXICDXNLZNOSV-NSHDSACASA-N 252.745 1.956 0 50 CDAA Cc1ccc(F)cc1C(=O)N1CCO[C@]2(CCNC2)C1 717425131 HEWSEHALWHDRHG-HNNXBMFYSA-N 278.327 1.339 0 50 CDAA O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@H](CCCO)C1 580763137 SDRNFSZAJMPNPY-RFQIPJPRSA-N 287.425 1.599 0 50 CDAA O[C@]1(c2cnn[nH]2)CCN(c2ccnc3c(F)cccc23)C1 583616610 RCSJMRYNHVDKRD-OAHLLOKOSA-N 299.309 1.590 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)ns1 585130366 OBEVCMOBWYCYEF-KKZNHRDASA-N 252.339 1.749 0 50 CDAA O=C(c1ccc(OC(F)F)cc1)N1CCOC[C@@H](O)C1 77299273 CSLDVJKMLLYZFD-JTQLQIEISA-N 287.262 1.121 0 50 CDAA CCC(C)(C)CNC(=O)N[C@H]1COCCC1(OC)OC 1615057708 HLBBKSDRMFDNLE-NSHDSACASA-N 288.388 1.500 0 50 CDAA OC[C@H](O)C1CCN(c2cnc3ccccc3n2)CC1 1772819927 XUJKZVSTJQXXJJ-AWEZNQCLSA-N 273.336 1.199 0 50 CDAA C[C@H](O)CN(CCCc1ccccc1)C[C@H](C)O 214305 ADYPLABQYHBYFG-KBPBESRZSA-N 251.370 1.683 0 50 CDAA Cc1nc(NC[C@@H]2CN(C)CCN2C)ccc1Cl 1506405621 KPHCMPLMEAXVIT-LLVKDONJSA-N 268.792 1.701 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 111184594 NGLLBGUPXHPKSD-RYUDHWBXSA-N 275.304 1.628 0 50 CDAA COCCNC(=O)COc1cccc2ccccc12 2679888 IFTVXTSPFRXTAN-UHFFFAOYSA-N 259.305 1.981 0 50 CDAA O[C@@H]1CON(Cc2cncn2C2CCCCC2)C1 1529152268 RISNUOGHPPLUIE-ZDUSSCGKSA-N 251.330 1.496 0 50 CDAA COc1ccc(F)cc1CN(CCO)Cc1cnc(C)[nH]1 1704306033 ZQUWVBLMLOCWDO-UHFFFAOYSA-N 293.342 1.860 0 50 CDAA Cc1ncc(Cl)c(NC[C@H](O)CN2CCCC2)n1 1772705078 VOMXNZCVVBTJQS-JTQLQIEISA-N 270.764 1.307 0 50 CDAA CS[C@@H](CNC(=O)c1cncnc1)C(C)(C)C 354725150 VELXDAPPTZGYOI-JTQLQIEISA-N 253.371 1.984 0 50 CDAA O=C(C[C@H](O)C1CCCC1)N1CCc2n[nH]cc2C1 1875274226 WEPNJDTWZOYZBD-ZDUSSCGKSA-N 263.341 1.236 0 50 CDAA CC(=O)N1CCN(c2ccccc2NC(=O)C(C)C)CC1 12381954 QQYTXYRKPQLCCS-UHFFFAOYSA-N 289.379 1.950 0 50 CDAA CCc1c(O)nc(SCCN(CC)CC)[nH]c1=O 13382308 ZLHRSEYKNBSWBC-UHFFFAOYSA-N 271.386 1.472 0 50 CDAA O=S1(=O)CC[C@H]2CN(Cc3ccccc3)C[C@H]21 207212547 VOUOUAFQWDNCSC-QWHCGFSZSA-N 251.351 1.306 0 50 CDAA O[C@]1(Cn2ccnc2-c2ccc3ncccc3c2)CCNC1 1857695878 CGSRPBULZQANGK-QGZVFWFLSA-N 294.358 1.823 0 50 CDAA O=C(O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 70118 AKJUQGDIUAGMCB-UHFFFAOYSA-N 268.228 1.580 0 50 CDAA in-vitro O=C(NC(=S)NC[C@@H]1CCCO1)c1cccs1 458636 JRQIQTUYXFSTQO-QMMMGPOBSA-N 270.379 1.531 0 50 CDAA O=C(NCCCn1ccnn1)[C@H]1C[C@@H]1c1ccccc1 412255963 PAGYWWWSFMHTDE-KGLIPLIRSA-N 270.336 1.588 0 50 CDAA O=C(OC[C@@H]1CCCCO1)[C@H]1CC(=O)N(C2CCCC2)C1 119943918 QJFXXVZQEVZMSM-JSGCOSHPSA-N 295.379 1.890 0 50 CDAA CC(=O)N[C@H](c1cccnc1)n1nnc2ccccc21 5631881 UZOLROGFPNHBDU-AWEZNQCLSA-N 267.292 1.509 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCC[C@@H]1CF 565200516 PBGVXNOQWKPPMM-SECBINFHSA-N 265.288 1.634 0 50 CDAA CC(C)N(CCC(=O)O)C(=O)c1ccnc(C2CC2)n1 362326516 XTWNCJPCFLVXBQ-UHFFFAOYSA-N 277.324 1.679 0 50 CDAA C[C@@H]1CN([C@H](C)C(=O)NC(C)(C)C)C[C@@]2(CCOC2)O1 376670753 IPCNPUWRAVYMKX-LALPHHSUSA-N 284.400 1.169 0 50 CDAA Cc1cc(CNC(=O)[C@]2(O)CCCC(C)(C)C2)no1 585101690 YKDCAWLDXMDXJJ-AWEZNQCLSA-N 266.341 1.931 0 50 CDAA CCn1ncc2ccc(NC(=O)[C@@H]3NC(=O)O[C@H]3C)cc21 496675683 FHWVJRKKKZSAFB-QPUJVOFHSA-N 288.307 1.492 0 50 CDAA O=C(O)c1cccc(N2CCN(C[C@@H]3CCCO3)CC2)n1 900985559 MLXDZBVMJYPCJH-LBPRGKRZSA-N 291.351 1.081 0 50 CDAA Cc1cc(N(C)C(=O)c2c3c(nn2C)CCC3)ccn1 904285847 APXGPHIXJIPRRI-UHFFFAOYSA-N 270.336 1.889 0 50 CDAA CC1(COC(=O)CC[C@@H]2CC[C@H](C(N)=O)O2)C[C@H]2C[C@@H]2C1 870390418 QGAFOVKSDJVAAY-FVCCEPFGSA-N 295.379 1.779 0 50 CDAA C[C@]1(CNC(=O)c2c(N)nn3ccccc23)CCCCO1 1875285916 GQFDOHVLCACEQL-OAHLLOKOSA-N 288.351 1.606 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1COc2cc(C)c(C)cc21 1875273405 VCKQSHHTQWSELS-MUBLQREKSA-N 289.331 1.625 0 50 CDAA COC[C@]1(C)CN(Cc2cc3c(O)nccc3o2)CCO1 877662792 YGUQCOPAELYWTI-HNNXBMFYSA-N 292.335 1.771 0 50 CDAA CO[C@]1(c2nnc(-c3conc3C3CC3)o2)CCOC1 886086396 UHKDADHZOJRHNZ-CYBMUJFWSA-N 277.280 1.864 0 50 CDAA Cn1ccc(-c2nc(CNC[C@H]3CCC[C@@H]3O)cs2)n1 894816701 KMBZQUOIWUPUBF-MFKMUULPSA-N 292.408 1.794 0 50 CDAA Cc1nc2c(C(=O)N[C@H]3C[C@H](N)C34CCC4)ccnc2[nH]1 1775961358 VEMUOABLJMIZER-QWRGUYRKSA-N 285.351 1.266 0 50 CDAA CN(C)CCCOc1cc(S(C)(=O)=O)ccc1F 1775990804 ZPRGFGXDLWBGFY-UHFFFAOYSA-N 275.345 1.560 0 50 CDAA CN(C)C(=O)NCc1cn(Cc2cccs2)nn1 899682866 SIOVXJNZJZWXMR-UHFFFAOYSA-N 265.342 1.159 0 50 CDAA CNc1ccc(NC(=O)c2c(C)nn(C)c2C)cn1 262124546 CIHXEJSDCRLWMA-UHFFFAOYSA-N 259.313 1.726 0 50 CDAA O=C(O)[C@H]1CC(=O)N(Cc2noc(C3CCCC3)n2)C1 65526571 NPOQLYPFBKWXKV-VIFPVBQESA-N 279.296 1.160 0 50 CDAA O=C(O)[C@@H]1COCCN(CCOc2ccc(F)cc2)C1 700381602 JLJFPFNGICLSEV-NSHDSACASA-N 283.299 1.238 0 50 CDAA O=C(CCc1ccccc1Cl)N[C@H]1CCOC[C@@H]1O 629221178 SDKIFCKUQCQZPP-STQMWFEESA-N 283.755 1.539 0 50 CDAA CN(CC[C@H]1CCCCO1)CC(=O)N1CCCC1 680370701 KALJQLVAHMZTPC-CYBMUJFWSA-N 254.374 1.500 0 50 CDAA Cc1cccnc1CC(=O)NCc1cc(C2CC2)n[nH]1 584899108 JHMUURCDLXPOCT-UHFFFAOYSA-N 270.336 1.849 0 50 CDAA O=C([C@H]1CCCNCC1)N1CCC(N2CCCC2)CC1 827763367 XZBSDEKQDZSETJ-AWEZNQCLSA-N 279.428 1.463 0 50 CDAA CCOc1cc(NCc2ccnc(N)c2)nc(C)n1 1167616602 CHZPGWSXRYMSKQ-UHFFFAOYSA-N 259.313 1.773 0 50 CDAA O=C(N[C@H]1CCCc2ccccc21)c1nnc2n1CCOC2 2325802375 CQEBJANYXJNJCH-ZDUSSCGKSA-N 298.346 1.616 0 50 CDAA CC(C)[C@]1(O)Oc2c(ccc3c2CO[C@@](C)(O)C3)C1=O 2332924302 BPYDTNLWWSASIQ-CABCVRRESA-N 278.304 1.388 0 50 CDAA CC(C)N[C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O 4010 ZSTCZWJCLIRCOJ-AAEUAGOBSA-N 261.325 1.133 0 50 CDAA in-man Cc1cc(=O)n(CNC(=O)c2ccccc2)c(=S)[nH]1 284056 NJAHJZIAJNUJIC-UHFFFAOYSA-N 275.333 1.602 0 50 CDAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21 798923 DZNSDQIVJQZTKQ-UHFFFAOYSA-N 296.348 1.306 0 50 CDAA CCOC(=O)C(C)(Br)C(=O)OCC 1706028 CSLQAXTUGPUBCW-UHFFFAOYSA-N 253.092 1.266 0 50 CDAA COc1ccccc1C(=O)NCCNC(=O)c1ccco1 2851013 WAUITYHCPSYDJD-UHFFFAOYSA-N 288.303 1.448 0 50 CDAA CCOC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10112329 PKSKHNOXRAXFBQ-UHFFFAOYSA-N 257.311 1.543 0 50 CDAA CN(C)[C@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 109840240 AGLUMLOHMQEDNA-ZDUSSCGKSA-N 289.445 1.133 0 50 CDAA CCCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10366525 QYNOLQUNQZEMNB-UHFFFAOYSA-N 270.354 1.506 0 50 CDAA CCOC(=O)c1cnc(-c2cccc(OC)c2)[nH]c1=O 8655986 YQBCAZKPSCFNCE-UHFFFAOYSA-N 274.276 1.622 0 50 CDAA O=C(NCc1ccc(Cn2cncn2)cc1)NC1CC=CC1 225472861 KITGOPRBRAFICL-UHFFFAOYSA-N 297.362 1.844 0 50 CDAA CC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9498407 VPKNETCUMMEZAM-LLVKDONJSA-N 296.392 1.890 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](C=O)CC1CCOCC1 114944617 XWBNKEIPCHGFMT-LLVKDONJSA-N 257.330 1.895 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)CC(C)(C)O 347072918 GZGMAXLZOMOGON-JHJVBQTASA-N 285.384 1.190 0 50 CDAA CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1Cn1cccn1 249693951 OHQGVEMGBMLXNX-LSDHHAIUSA-N 290.411 1.749 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)CNCC(C)(C)CO)cc1 65461167 YTYWLXYGPHVOKU-CYBMUJFWSA-N 278.396 1.780 0 50 CDAA COC(=O)C1(NC(=O)c2ccc3nc(S)oc3c2)CC1 120138247 OVWYQPWXZYTCFR-UHFFFAOYSA-N 292.316 1.552 0 50 CDAA CC(CO)(CO)NC(=O)c1ccc(F)c(Cl)c1F 120561291 NVHHONWFRLFOHZ-UHFFFAOYSA-N 279.670 1.091 0 50 CDAA CC(=O)Nc1nc(C(=O)N2CCOC(C)(C)[C@@H]2C)cs1 357922883 XJVOBVICHUPCCQ-QMMMGPOBSA-N 297.380 1.741 0 50 CDAA COCCCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 252666877 CAWMRPQUEXQOBY-UTUOFQBUSA-N 269.341 1.657 0 50 CDAA O=C(CN1CCCC[C@H]1c1nc[nH]n1)Nc1ccccc1 121779514 DRYVCRUZRVMCSP-ZDUSSCGKSA-N 285.351 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1.695 0 50 CDAA COCCN(C[C@@H]1CC=CCC1)C(=O)c1csnn1 331113837 KLMZFRSNNODLBX-LLVKDONJSA-N 281.381 1.983 0 50 CDAA CCC[C@@H]1COCCN1C(=O)c1cnn2cc[nH]c12 71758971 AGOHFOVDFZAKSR-SNVBAGLBSA-N 262.313 1.304 0 50 CDAA COCC1(S(=O)(=O)N2Cc3ccccc3CO2)CC1 333092951 OORWWERZJJEIEP-UHFFFAOYSA-N 283.349 1.443 0 50 CDAA O=C(NCCCc1nc2ccc(F)cc2[nH]1)c1cn[nH]c1 216145800 BKZRBFQIZBYYGQ-UHFFFAOYSA-N 287.298 1.788 0 50 CDAA c1cc(Cn2ccnc2[C@H]2CCOC2)cc(-c2nnn[nH]2)c1 77488936 MVKVOSLZJYWMAM-ZDUSSCGKSA-N 296.334 1.615 0 50 CDAA CN(C[C@H]1CCCO1)C(=O)c1ccnc(OC(F)F)c1 333743458 WGUGRIUXAIKJMS-SNVBAGLBSA-N 286.278 1.934 0 50 CDAA C[C@H](NC(=O)N1CCO[C@H]2CCC[C@@H]21)c1ccn(C)n1 333868946 OVSQWJUOINVDMX-DRZSPHRISA-N 278.356 1.444 0 50 CDAA C[C@H](OCC(F)(F)F)C(=O)N1CCC(C(=O)O)CC1 237560688 WFVYMFGSNDFNNV-ZETCQYMHSA-N 283.246 1.277 0 50 CDAA O=C(Cc1cccc(F)c1)N[C@@H](C(=O)O)[C@H]1CCCOC1 262813433 OZGBGPDQAYGHOV-SMDDNHRTSA-N 295.310 1.364 0 50 CDAA CO[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C(=O)O 263080376 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KIDMLJFWMNQGPC-SNVBAGLBSA-N 273.336 1.661 0 50 CDAA C/C(=C\C(=O)NC[C@@H]1CN2CCCC[C@H]2CO1)C1CC1 252477324 LYSGUZNHPAPNDU-PPHUUTPLSA-N 278.396 1.712 0 50 CDAA Cc1cc(NC(=O)C(C)(C)Sc2nnnn2C)no1 67239889 XECZGUHBMRJNCC-UHFFFAOYSA-N 282.329 1.016 0 50 CDAA Cn1cnnc1C[S@](=O)c1ccc2c(c1)OCCCO2 123354874 KPXODMIKKZTBJU-HXUWFJFHSA-N 293.348 1.284 0 50 CDAA C[C@H](CO)N(C)S(=O)(=O)c1ccc2ncccc2c1 332666990 AJQUUICGQOKLGT-SNVBAGLBSA-N 280.349 1.236 0 50 CDAA CCCc1cc(C(=O)N[C@H]2C=CS(=O)(=O)C2)cs1 67881479 VPTHMQWDIHSYMX-JTQLQIEISA-N 285.390 1.741 0 50 CDAA Cc1nc([C@@H](C)n2cnc3sc(C)cc3c2=O)n[nH]1 32500596 ZHWNALYUZYWSDZ-SSDOTTSWSA-N 275.337 1.802 0 50 CDAA Cc1cc(C(=O)N2CCNC[C@H]2C)c(F)cc1F 125042460 DLHOBHGLVUOTKH-SECBINFHSA-N 254.280 1.707 0 50 CDAA COc1cnc(NC(=O)N[C@H]2CCO[C@@H]2C2CC2)nc1 333241054 ZTFPPHGZXPXLLG-WDEREUQCSA-N 278.312 1.174 0 50 CDAA CCc1nnc(CNC(=O)CCc2ccccc2)o1 219822850 QNBBZNSLGSFGHK-UHFFFAOYSA-N 259.309 1.881 0 50 CDAA CCn1ncnc1CN(C)Cc1cc(C2CC2)on1 216372181 XCOOTGVWEPPWAI-UHFFFAOYSA-N 261.329 1.795 0 50 CDAA CC(=O)C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C 331262489 DKANZHARLPTVLG-WCQYABFASA-N 296.411 1.897 0 50 CDAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(C(=O)O)s1 236771333 XHXHZBIMHKBLNW-ONOSFVFSSA-N 295.360 1.990 0 50 CDAA CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)NC2CC2)c1 331821897 IGQYSNXCQSUFGR-VIFPVBQESA-N 297.380 1.292 0 50 CDAA O=C(NOCc1cccnc1)[C@@H]1OCCc2ccccc21 152213220 JLORMPHCYITVGO-OAHLLOKOSA-N 284.315 1.943 0 50 CDAA Cc1n[nH]c(C)c1CN[C@@H]1CCOC2(CCOCC2)C1 77356641 OYPJOLBKMLHTRS-CYBMUJFWSA-N 279.384 1.844 0 50 CDAA O=S(=O)(Nc1nc2n(n1)CCCC2)c1ccsc1 333474969 WXNRLEVTWLJLRM-UHFFFAOYSA-N 284.366 1.477 0 50 CDAA CNCC(=O)N1CCC[C@H](CN2CCCC[C@@H]2C)C1 237198204 PKDZGVWNVDQEIN-UONOGXRCSA-N 267.417 1.319 0 50 CDAA CSc1ccccc1CN1CCC[C@@](O)(CO)C1 215497689 GELYLWPBBWRDAL-AWEZNQCLSA-N 267.394 1.728 0 50 CDAA Cn1cncc1CNCc1ccccc1N1CCOCC1 237935148 OSDYQXCIMXQPFT-UHFFFAOYSA-N 286.379 1.547 0 50 CDAA Cc1nc(CNc2ncnc3[nH]cnc23)n(C)c1C 32541237 RVVJEFDRNBVDHJ-UHFFFAOYSA-N 257.301 1.315 0 50 CDAA CC[C@@H](C(=O)N1CCOC[C@H]1CC(=O)O)c1ccccc1 129349817 MNTXHTATXPBTDQ-ZIAGYGMSSA-N 291.347 1.882 0 50 CDAA Cc1ccc(C(=O)NC[C@@H]2CCNCC2(F)F)cc1 336215027 PRMQLOJZMOMDQK-LBPRGKRZSA-N 268.307 1.970 0 50 CDAA Cn1ccnc1SCCNC(=O)Cc1ccncc1 215473100 ASHBCNCQVJPRNV-UHFFFAOYSA-N 276.365 1.266 0 50 CDAA COc1cc(I)c(O)cn1 136944094 AUEKKHSBTAFFDU-UHFFFAOYSA-N 251.023 1.400 0 50 CDAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1cc(F)cc(F)c1 131776372 KFZVBPVPOAVCTK-GZMMTYOYSA-N 290.335 1.465 0 50 CDAA CCc1c(C)nn(CCNC(=O)[C@@H](N)[C@@H](C)CC)c1C 223601660 BZHNOXJCFLHBDZ-HZMBPMFUSA-N 280.416 1.552 0 50 CDAA COCCOc1ccc(-c2nc(OC)n(C)n2)cc1 426369886 GSSKGHXZJMYBKL-UHFFFAOYSA-N 263.297 1.516 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1C(C)=O 222428557 CQBKZDUVUKCLBS-ZIAGYGMSSA-N 277.320 1.423 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)c1cc(=O)cc(C)[nH]1 426597277 SSBIZQLJGDQIQX-CYBMUJFWSA-N 278.352 1.715 0 50 CDAA CC(C)c1nc(CCNC(=O)c2ccn(C(C)C)n2)no1 426641531 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CIVFHBLRLCQDGR-DOMZBBRYSA-N 282.384 1.008 0 50 CDAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1c(C)noc1C)CC2 92036800 YMEPCPATHKGLSJ-NEPJUHHUSA-N 294.351 1.293 0 50 CDAA Cc1[nH]nc(CCC(=O)N2CCSCC2)c1C 97514235 WAFWDIIGBDPUGR-UHFFFAOYSA-N 253.371 1.535 0 50 CDAA OC1(c2ccc(F)cc2)CCN(C[C@H]2COCCO2)CC1 244723677 MFLJTIJMJMOMSH-HNNXBMFYSA-N 295.354 1.525 0 50 CDAA COCCN1C[C@@H](Cc2ccnc3c2ccn3C)CC1=O 252483951 FLHBVVBXOBRFNK-LBPRGKRZSA-N 287.363 1.611 0 50 CDAA C[C@]12O[C@@]3(C(F)(F)C(=O)O)[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@H]1[C@H]2[C@H]3[C@H]51 254626722 ATJTZLAAUJOPGP-XKSLSZPVSA-N 268.259 1.622 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)S1 608153005 LLQUCQNOTREZCL-LZQZFOIKSA-N 255.383 1.906 0 50 CDAA CCC(=O)N1CCCC[C@H]1C(=O)Nc1cnccc1OC 299463177 DCPSYEJQBQECCY-LBPRGKRZSA-N 291.351 1.820 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)O 299751039 PHBZSTVROGATBE-DEQVHRJGSA-N 291.347 1.990 0 50 CDAA C[C@@H](NS(=O)(=O)CC1CCCC1)c1cnn(C)c1 268903279 XBNRHXGFPWPAJM-SNVBAGLBSA-N 271.386 1.591 0 50 CDAA CC1(C)C[C@@H](C(=O)NCCc2ncc[nH]2)CCO1 534667772 SMVGPTHZMURZOU-JTQLQIEISA-N 251.330 1.274 0 50 CDAA CC(C)C[C@@H](NC(=O)C1(C)COC1)c1ncnn1C 534660151 AWRBMLUGGCIJHX-SNVBAGLBSA-N 266.345 1.055 0 50 CDAA CC[C@H](NC(=O)c1ncoc1C)c1ncnn1CC 534656616 NLGBNDTVBXCCNL-VIFPVBQESA-N 263.301 1.476 0 50 CDAA Cc1noc(NC(=O)CNC(=O)c2ccccc2)c1C 1940196527 QOAOYSIMBRYHEN-UHFFFAOYSA-N 273.292 1.660 0 50 CDAA COCc1c(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)noc1C 299802644 UUFKLGAFEMFELO-QMMMGPOBSA-N 292.339 1.522 0 50 CDAA Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CC(=O)O)n1 299790856 COTUPPAUBCKSNL-SECBINFHSA-N 251.286 1.188 0 50 CDAA CSc1cccc(NC(=O)N2CC[C@](O)(CO)C2)c1 299769986 KORFVJRUDAKXFR-CYBMUJFWSA-N 282.365 1.370 0 50 CDAA Cc1cc(S(=O)(=O)N(C)Cc2ncon2)c(C)s1 825312760 FDWWCTPIAVHBNG-UHFFFAOYSA-N 287.366 1.569 0 50 CDAA Cc1cccc(C[C@H](C)NC(=O)c2c(C)ncn2C)n1 584888354 CAAUAOKCDPFTRI-NSHDSACASA-N 272.352 1.793 0 50 CDAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 584904257 LIAKMLFGWZZSDZ-FDYHWXHSSA-N 257.289 1.662 0 50 CDAA O=C(NC1CCN(Cc2cccs2)CC1)c1ncc[nH]1 670472956 GBQFTVZYYJMUOJ-UHFFFAOYSA-N 290.392 1.866 0 50 CDAA CC1(C)CCCC[C@@H]1NC(=O)C1(n2cnnn2)CC1 1337296100 HHRZMJBGJNPYHH-JTQLQIEISA-N 263.345 1.247 0 50 CDAA Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](N)C(=O)O 685939174 RDRYANQNKSAMQY-GFCCVEGCSA-N 263.272 1.713 0 50 CDAA CCC1=NO[C@H](CN(C)Cc2nc(C3CC3)no2)C1 244817188 SVTUCLCTWHXVOQ-NSHDSACASA-N 264.329 1.934 0 50 CDAA Cc1cc2c(nc1C=O)OCCN2C(=O)C(C)(C)C 66054358 NPVUZAZPRHGWDJ-UHFFFAOYSA-N 262.309 1.974 0 50 CDAA in-vitro O[C@@H]1CN(Cc2ccc3cc(F)ccc3n2)C[C@H]1F 952863109 BMRKJXPNBHLCFQ-TZMCWYRMSA-N 264.275 1.889 0 50 CDAA Cc1nc([C@@H](C)NCc2ccc(N(C)C)nc2)n[nH]1 952979726 FQDBGZNPEDHVIK-SECBINFHSA-N 260.345 1.425 0 50 CDAA C[C@@H](CNC(=O)CCCN1CCCCC1)N1CCCC1 952874270 ZJHNSYDBLQIYPG-HNNXBMFYSA-N 281.444 1.853 0 50 CDAA O=C(NC[C@@H]1CCCN(c2ccncc2)C1)c1cnccn1 952976435 RPBHXQDXODRBJF-ZDUSSCGKSA-N 297.362 1.518 0 50 CDAA CCc1nnc(NC(=O)C[C@@](C)(O)C2CC2)s1 270086375 NRLLKEANCBEGHV-LLVKDONJSA-N 255.343 1.590 0 50 CDAA CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 270968993 BZDGVYQZYDCWFE-IACUBPJLSA-N 290.363 1.315 0 50 CDAA CN(C)c1ncnc2c1ncn2Cc1nc(C2CCC2)no1 631009528 MHOVDIDOJOKFEL-UHFFFAOYSA-N 299.338 1.591 0 50 CDAA CC(C)c1ncc(C(=O)NC2(CC(=O)O)CCOCC2)[nH]1 1592011486 HMKSHGNNNRISDE-UHFFFAOYSA-N 295.339 1.287 0 50 CDAA CCc1ncsc1C(=O)NC[C@@H]1CCc2nccn2C1 275471176 XZPDBDPTLMRPFC-JTQLQIEISA-N 290.392 1.894 0 50 CDAA O=C(NCCc1nnc(S)n1C1CC1)[C@H]1C[C@@H]1C1CC1 170655895 SWRZGPDIALENCM-MNOVXSKESA-N 292.408 1.607 0 50 CDAA Cc1noc2ncnc(N3CC[C@]4(CCCN(C)C4)C3)c12 645047937 FNHPRPHFZJFJIK-HNNXBMFYSA-N 287.367 1.848 0 50 CDAA C[C@H](N)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 195143317 AXMVFKBNZSTKRV-LBPRGKRZSA-N 279.359 1.207 0 50 CDAA O=C(CN1CCC(c2ccon2)CC1)N1CCCCC1 662042981 GFZOIRIJAAUOGJ-UHFFFAOYSA-N 277.368 1.867 0 50 CDAA CN(C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21)C1CC1 666267236 VNZPAPKXGJCXCM-UTUOFQBUSA-N 250.342 1.302 0 50 CDAA 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1.858 0 50 CDAA CC[C@@H](C(=O)N(C)C)N(CCO)Cc1ccc(F)cc1 1529166871 BPGOJLJWHMNGIG-AWEZNQCLSA-N 282.359 1.487 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)N(C)CCc1ccccn1 1875249836 DUJFDZSUPDVFKS-GFCCVEGCSA-N 281.425 1.551 0 50 CDAA Cc1cc(C(N)=O)c(NCCc2ncc[nH]2)nc1C 1704299804 KKQYOROELWWBFH-UHFFFAOYSA-N 259.313 1.175 0 50 CDAA Cc1cc(CN(C)[C@H]2CCN(C(C)(C)C)C2=O)no1 425389636 ZBFAQTJGIHUBER-LBPRGKRZSA-N 265.357 1.814 0 50 CDAA Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1F 227581389 RCCZIZIFKNWGKO-NDMJEZRESA-N 266.316 1.034 0 50 CDAA O=C(O)CCN1CCN(Cc2ccc(Cl)cc2)CC1 22935622 JHXKZIFYQWKUQB-UHFFFAOYSA-N 282.771 1.932 0 50 CDAA in-vitro COc1ccc([C@H](C(=O)O)N2CCSCC2)cc1 35287559 PXNSRGVRYBVBKJ-GFCCVEGCSA-N 267.350 1.870 0 50 CDAA in-vitro CC[C@@]12C[C@H]1CN(C(=O)c1nn(C)cc1Cl)C2 1775979072 FDIMOHLTGMVTFQ-UFBFGSQYSA-N 253.733 1.946 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2CN1c1nc(-c2ccccc2)no1 1772707063 SKEWZWOYZGPFIQ-AAEUAGOBSA-N 298.346 1.936 0 50 CDAA Cc1cc2[nH]c(CN3C[C@H]4C[C@@]4(C)C3)cc(=O)n2n1 1772814897 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OUUXENHZVFTUOX-ZDUSSCGKSA-N 284.306 1.302 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CCCCCN1C 95367313 NSLSKJXAUMJYRC-OAHLLOKOSA-N 292.427 1.950 0 50 CDAA Cc1nn(C)c2nc(N3CCC[C@@H]3CCO)sc12 96130437 NGIDLCBOIPKYCO-SECBINFHSA-N 266.370 1.689 0 50 CDAA CCn1ccc(CN2CC(N3CCCC[C@@H]3C)C2)n1 244652079 GZKAUEOOJPYJLU-ZDUSSCGKSA-N 262.401 1.962 0 50 CDAA O=c1n(Cc2csc(-c3ccoc3)n2)nc2cnccn12 181695405 LQXQLGQYNRKIIH-UHFFFAOYSA-N 299.315 1.656 0 50 CDAA C[C@@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@H]1C(=O)OC[C@H]1CCCO1 253566733 JIAFMXROXFYHJT-CYRTVHNOSA-N 282.336 1.686 0 50 CDAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N[C@H]2CCCSC2)C1 253602431 BGWYMHJQQAEEIZ-UTUOFQBUSA-N 292.470 1.694 0 50 CDAA CN(CC[C@@H](O)c1ccccc1)Cc1cnn(C)c1 53933418 LRXNKAIQTMXHSO-OAHLLOKOSA-N 259.353 1.976 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](N)C2)[C@H]1CN 299739968 UGMYLEPVWSKQPS-LPWJVIDDSA-N 253.390 1.090 0 50 CDAA N[C@H]1[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(F)c(F)c1F)C2 534587221 XNICUMYNLYLFJL-KEODLESXSA-N 298.308 1.842 0 50 CDAA CSCC(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1 374966366 OLSGOWRCYICEEV-NSHDSACASA-N 296.392 1.611 0 50 CDAA COCC1(CNC(=O)N[C@@H](CO)c2ccccc2)CCC1 283380053 DCVWJOZZLLRBHB-AWEZNQCLSA-N 292.379 1.836 0 50 CDAA C[C@@H]1CN(c2nnc(-c3ccccc3)s2)CC(=O)N1 295836588 WOBIJGAGIJLICA-SECBINFHSA-N 274.349 1.530 0 50 CDAA Cc1nc2c([nH]1)CN(Cc1n[nH]c(C)c1Cl)CC2 825106323 ODSGBHHKICRAEU-UHFFFAOYSA-N 265.748 1.961 0 50 CDAA O=C(O)c1c(F)c(F)c(S(=O)(=O)O)c(F)c1F 44069322 JNESNWCWZVATQY-UHFFFAOYSA-N 274.147 1.188 0 50 CDAA in-vitro CCCn1ncc(C(=O)N2CCc3nocc3C2)c1C 584896703 TVORRAMJMREBKE-UHFFFAOYSA-N 274.324 1.788 0 50 CDAA c1csc(Cc2n[nH]c(CCCN3CCOCC3)n2)c1 827603751 RWBYDMFVQMQADH-UHFFFAOYSA-N 292.408 1.722 0 50 CDAA CC(C)N1CCN(C(=O)c2c[nH]c(=N)s2)C[C@@H]1C 584900786 QNEGDRPRQSVJMZ-VIFPVBQESA-N 268.386 1.110 0 50 CDAA CCc1nn(C)c2c(=O)n(Cc3cccc(C)n3)cnc12 584884825 RKQCRSHPJRTPHQ-UHFFFAOYSA-N 283.335 1.444 0 50 CDAA Cc1ccnc(SCC(=O)N2CCc3nocc3C2)n1 670472036 BJEIEQSFPOMIRK-UHFFFAOYSA-N 290.348 1.450 0 50 CDAA CNC(=O)[C@H]1CCN(CC(=O)NC2CCCCCCC2)C1 670469606 UVNKOTZKPSNRSF-ZDUSSCGKSA-N 295.427 1.283 0 50 CDAA COc1ccccc1CN1C[C@@H](C(=O)O)CCC1=O 50920175 OTRWJKUGKVFUSH-NSHDSACASA-N 263.293 1.518 0 50 CDAA Cc1ncccc1CNC(=O)N1C[C@@H](N)C2(CCC2)C1 1553511212 BWNPFCMVGDKEBJ-CYBMUJFWSA-N 274.368 1.413 0 50 CDAA CCc1nc(C)sc1CN1CC[C@@](O)(CC)[C@@H](O)C1 1565530803 XJFVAUXNTAHCQO-KBPBESRZSA-N 284.425 1.722 0 50 CDAA CCc1ncc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cn1 269531105 QUMVCUNVJOMUDH-CMPLNLGQSA-N 279.340 1.562 0 50 CDAA O=c1c2ccc(Cl)cc2ncn1C[C@H]1CCNC[C@@H]1O 1565527793 HWBLTCXMXOGXNP-RNCFNFMXSA-N 293.754 1.020 0 50 CDAA O=C(O)[C@@H](F)[C@@H]1CCN(C(=O)COC2CCCCC2)C1 1548597843 IGKUJZZMYFYDQP-MFKMUULPSA-N 287.331 1.607 0 50 CDAA O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@H]1CCCCN1 952869460 KSXCWMMFLVTGKC-LLVKDONJSA-N 288.311 1.073 0 50 CDAA C[C@@H](O)c1nc2ccc(NC(=O)C3(N)CCCC3)cc2[nH]1 952977921 CSTMYVWNRWRFLC-SECBINFHSA-N 288.351 1.826 0 50 CDAA c1cc([C@H]2OCCC[C@@H]2NCc2cc[nH]n2)ccn1 275352091 ACRXTTQIQPCLCT-UONOGXRCSA-N 258.325 1.815 0 50 CDAA CN1CCO[C@H](CN(Cc2cncnc2)CC2CC2)C1 275506040 CHMTULVOCHFLKQ-HNNXBMFYSA-N 276.384 1.019 0 50 CDAA CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)O)C1 91303448 NIRFFGUWLCEYLP-VIFPVBQESA-N 281.312 1.335 0 50 CDAA in-vitro CC[C@H](NC(=O)[C@@H]1CSCCS1)c1noc(C)n1 170013679 KLINQNRDZCFKAW-IUCAKERBSA-N 287.410 1.794 0 50 CDAA CN(Cc1ccco1)S(=O)(=O)CCN1CCCC1 170603688 XKYUBNNAFLEPBW-UHFFFAOYSA-N 272.370 1.137 0 50 CDAA CC[C@H](O)CNC(=O)Cc1cc2ccccc2nc1O 517252665 YBUIEETVHFTWGZ-LBPRGKRZSA-N 274.320 1.370 0 50 CDAA O=C(Nc1nc2c(s1)COCC2)c1cnsn1 171018453 HJVOKFRJGALYBK-UHFFFAOYSA-N 268.323 1.320 0 50 CDAA COC(CN1CCNC(=O)[C@H]1c1ccc(F)cc1C)OC 189206674 DOGOLNLMGXXYDT-CQSZACIVSA-N 296.342 1.226 0 50 CDAA C[C@H]1C[C@H]1c1nc(-c2ncccc2S(C)(=O)=O)no1 643125722 MUJXCVGILKQXLL-JGVFFNPUSA-N 279.321 1.659 0 50 CDAA C[C@H]1CCN(CCc2ccccc2F)CCS1(=O)=O 192048807 DRENJMALVWOJDC-LBPRGKRZSA-N 285.384 1.877 0 50 CDAA Cc1noc2ncnc(N(C)C[C@@H]3CCCOC3)c12 192452290 LQAKWYSZTGUTHH-JTQLQIEISA-N 262.313 1.789 0 50 CDAA N[C@H]1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 195115072 QPHJJVDCHBTVBD-YPMHNXCESA-N 294.782 1.841 0 50 CDAA C[C@@]1(CNC(=O)c2c(N)cccc2F)CCOC1 714067888 SRNADIARKRSATR-ZDUSSCGKSA-N 252.289 1.564 0 50 CDAA CC(C)(C)CN(CC(=O)O)C(=O)c1ccc2nn[nH]c2c1 659784469 LJEDLTGDFGZLGX-UHFFFAOYSA-N 290.323 1.531 0 50 CDAA CCN(CC)[C@H]1CCN(C(=O)C2(C(=O)O)CC=CC2)C1 663107336 FCGFEALMQBAGRS-LBPRGKRZSA-N 280.368 1.350 0 50 CDAA Cc1cc(C(=O)N2CCNC[C@H]2C(F)F)oc1C 582912547 QWYYZHHEKQJWBJ-VIFPVBQESA-N 258.268 1.576 0 50 CDAA Cc1nc(Cn2cc(CCC[C@@H](C)O)nn2)cs1 585091503 MAWDHHZGVXLIRA-SECBINFHSA-N 266.370 1.795 0 50 CDAA COc1ccc(Cl)cc1C(=O)NC[C@@H]1CNCCO1 134253327 ZPJLIEQKTFJCRW-JTQLQIEISA-N 284.743 1.067 0 50 CDAA Cc1ncn(CCNC(=O)c2ccc(F)c(O)c2)c1C 1772702019 CYCIVJZNILRNBL-UHFFFAOYSA-N 277.299 1.775 0 50 CDAA Cc1csc(S(=O)(=O)NCCc2cnoc2)c1 907385138 ZOROXRLFBPYTOO-UHFFFAOYSA-N 272.351 1.566 0 50 CDAA CC[C@H]1C=CCN1C(=O)CCc1c(C)nc(O)nc1C 1506405010 UCSNZSSJSNMMFL-LBPRGKRZSA-N 275.352 1.909 0 50 CDAA Cc1cc(C[C@@H]2CN(C3CCCCC3)C[C@@H]2O)n[nH]1 1529158344 AGFDFEOUHOUPIG-DOMZBBRYSA-N 263.385 1.886 0 50 CDAA Cc1ncc(-c2nccn2-c2ccc3c(c2)nnn3C)cn1 1800415999 FEIUSQYJJKCYRH-UHFFFAOYSA-N 291.318 1.919 0 50 CDAA CCOc1cc(C(=O)CS(C)(=O)=O)ccc1OC 205933279 NDPZMKPHRVBCLF-UHFFFAOYSA-N 272.322 1.321 0 50 CDAA in-vitro CC(=O)c1ccc2cc(NC[C@@H](N)C(=O)O)ccc2c1 215316893 XKZCXMNMUMGDJG-CQSZACIVSA-N 272.304 1.866 0 50 CDAA in-vitro CCc1noc(C)c1CS(=O)(=O)[C@H]1CCOC1 330144274 RNLLAIBPKIIADW-VIFPVBQESA-N 259.327 1.249 0 50 CDAA CCN(CCc1nccs1)S(=O)(=O)C1(C)CC1 331702667 WUZFYPKVVNENCH-UHFFFAOYSA-N 274.411 1.890 0 50 CDAA CS(=O)(=O)Cc1ccccc1CNC(=O)N1CCC1 332444498 FKNSGRFOARFZBS-UHFFFAOYSA-N 282.365 1.147 0 50 CDAA Cc1csc(-c2cccc(S(N)(=O)=O)c2)n1 334815822 PIFBWWGVGCTQAS-UHFFFAOYSA-N 254.336 1.766 0 50 CDAA Cc1cccc(N2CCC(N(C)CCCO)CC2)n1 157590208 XWJGPKSQYFOEPV-UHFFFAOYSA-N 263.385 1.673 0 50 CDAA Cc1ocnc1C(=O)NCc1cccn2nccc12 1772807437 WLWVYIOCROQHEU-UHFFFAOYSA-N 256.265 1.561 0 50 CDAA CC(C)Cc1ccc(CN2C[C@H]3[C@H](C2)C3(CO)CO)cc1 1772816425 QFZWNDMMYGPNSO-IRXDYDNUSA-N 289.419 1.918 0 50 CDAA CC(C)(C)OC(=O)N1CCC([C@@H](N)C(=O)O)CC1 15446374 UPEUKKCILASJSH-SECBINFHSA-N 258.318 1.045 0 50 CDAA Cc1ccc(F)c(NC(=O)CCC(=O)N2CCOCC2)c1 19810287 YBIHDFBWWYQDNV-UHFFFAOYSA-N 294.326 1.712 0 50 CDAA C[C@@H](NC(=O)c1cc(F)ccc1F)c1n[nH]c(=N)s1 1857695020 PULWGVBERSGGEM-RXMQYKEDSA-N 284.291 1.720 0 50 CDAA CNC(=O)[C@H]1CCCN(c2ncnc3ccsc23)C1 225559400 HXSFNKVJJPQQPQ-VIFPVBQESA-N 276.365 1.654 0 50 CDAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCOCC1)CC2=O 4262903 YARJLQJZBLCTDH-CABCVRRESA-N 265.353 1.631 0 50 CDAA O=C(Cc1ccn[nH]1)NC[C@@H](c1ccccc1)N1CCCC1 120670393 SPVABUKEIRNZCV-INIZCTEOSA-N 298.390 1.906 0 50 CDAA Cn1cc(CCCNC(=O)Nc2ccc(F)cn2)cn1 123364095 DENYREZVVNOZMQ-UHFFFAOYSA-N 277.303 1.709 0 50 CDAA C[C@H]1C[C@@H](NC(=O)N2CCOc3cccc(F)c3C2)CO1 335398091 QVRPIUIZAMRFCH-WDEREUQCSA-N 294.326 1.907 0 50 CDAA CC(C)N1CCC(CN2CC[C@@H](O)C[C@H]2C(=O)O)CC1 247971526 DJGBDVIWEKVPLP-KGLIPLIRSA-N 284.400 1.017 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N(C)CCOc1ccc(F)cc1 261891717 GQBZKSAAAKWVKS-RISCZKNCSA-N 296.342 1.040 0 50 CDAA C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCCc2ccccn2)C1 585085863 HCOMLFWZNRQLIJ-SMDDNHRTSA-N 284.363 1.830 0 50 CDAA CC(C)(C)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccoc1 905900744 JBDKWVUPQOAVKD-LBPRGKRZSA-N 299.392 1.494 0 50 CDAA CS(=O)(=O)c1cccnc1-c1cccc(CC(=O)O)c1 1242259800 BWIPZUTVPNPNTP-UHFFFAOYSA-N 291.328 1.779 0 50 CDAA C[C@H]1c2ccccc2CN1C(=O)C[C@@H]1CCC(=O)N1 829477446 NDLADRQCULMPBC-JQWIXIFHSA-N 258.321 1.759 0 50 CDAA C=CC(=O)N1CCn2c(Cc3cccc(F)c3)nnc2C1 863971231 KORSEXDGZJYKFR-UHFFFAOYSA-N 286.310 1.536 0 50 CDAA O=C(O)CN(Cc1ccccc1)C(=O)[C@@H]1CCCCO1 128271631 COJAFKVLXDSCOO-ZDUSSCGKSA-N 277.320 1.669 0 50 CDAA C[C@H]1CN(CC(=O)NC2CCCCC2)C[C@H](C)O1 19791859 ADXBCNHKZAXLMY-RYUDHWBXSA-N 254.374 1.545 0 50 CDAA COCC(C)(C)C(=O)N1CC[C@@]2(CCCN2C)C1 952994948 XKUIHSQXAFQECP-AWEZNQCLSA-N 254.374 1.356 0 50 CDAA CCn1c(=O)n(CC(=O)Nc2ccncn2)c2ccccc21 1875264315 GZLYVXJJMAIKFP-UHFFFAOYSA-N 297.318 1.252 0 50 CDAA Cc1nc(CN2CCn3cc(C(F)(F)F)nc3C2)n[nH]1 1875281437 BAJKLOFXZPARKF-UHFFFAOYSA-N 286.261 1.344 0 50 CDAA O=C(N[C@H]1CCOc2ccccc21)[C@@H](O)CN1CCCC1 1875308332 APKWJHRTVATYDD-KBPBESRZSA-N 290.363 1.083 0 50 CDAA O=C(O)[C@@H]1CC=C[C@@H](NC(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1 1875302468 RPYLNJKTZBKXRH-RMPHRYRLSA-N 265.309 1.090 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@@H]2COC)CC1 1875366311 YHKFWUDLJLUWKD-CYBMUJFWSA-N 280.368 1.048 0 50 CDAA O=C(O)C1CCC(NCCn2cnc3c2CCCC3)CC1 1875315942 OGJQJRSLQVRZOW-UHFFFAOYSA-N 291.395 1.995 0 50 CDAA Cc1nsc(N2CCC3(CCC3)S(=O)(=O)CC2)n1 894205746 PJURZTAFNFFEAR-UHFFFAOYSA-N 287.410 1.394 0 50 CDAA CC(C)c1nc(C(=O)NC2CCNCC2)cs1 20539226 XEXALAWHWOBUEB-UHFFFAOYSA-N 253.371 1.748 0 50 CDAA c1nnc2n1CCN(Cc1nc(C3CCCC3)no1)C2 152821186 LYEOXTOADMOFAT-UHFFFAOYSA-N 274.328 1.335 0 50 CDAA CCc1nsc(N2C[C@H](C)C[C@@H](C(=O)O)C2)n1 263172025 JKKBCYDULWIOTA-HTQZYQBOSA-N 255.343 1.648 0 50 CDAA Cc1noc(C)c1C(=O)N1C[C@H](C(=O)O)CC[C@H]1C 263537201 ZYTMXMMOOSKZTM-GMSGAONNSA-N 266.297 1.617 0 50 CDAA O=S(=O)(c1cccc(Cl)c1)N1C[C@H](O)C2(CC2)C1 334189717 LSAJNKKHENPXMD-NSHDSACASA-N 287.768 1.485 0 50 CDAA CC(C)c1ccnc(N2CCC3(CC2)C[C@H](O)CO3)n1 95373691 RESLJSYCVDAKJO-LBPRGKRZSA-N 277.368 1.720 0 50 CDAA COc1cc(-c2ccc(S(C)(=O)=O)cc2)c(=N)[nH]c1C 2100557056 MCKWQKCWGQZTBW-UHFFFAOYSA-N 292.360 1.882 0 50 CDAA O=C(c1cccnn1)N1C[C@@H](CO)[C@H](c2ccsc2)C1 2325781377 LAQDJAPYMRQHKJ-RYUDHWBXSA-N 289.360 1.386 0 50 CDAA O=C(NOc1ccccc1)[C@@H]1C[C@@H]2C[C@H](C1)C[C@@H](O)[C@H]2O 2325805405 GEPYELWZTCFDNI-NUNXZZDCSA-N 291.347 1.255 0 50 CDAA COCC1(C(=O)N2CC[C@H]2Cc2ccccc2)COC1 2325811863 GDISALFNLKCHNB-AWEZNQCLSA-N 275.348 1.493 0 50 CDAA COC(=O)[C@H]1CCC12CN(C(=O)OC(C)(C)C)C2 238322384 REWHELDWNJDHDB-SECBINFHSA-N 255.314 1.807 0 50 CDAA CC(=O)Nc1ccc(NC(=O)N2CCOCC2)cc1 30303 TYUALLMOYUQSAO-UHFFFAOYSA-N 263.297 1.509 0 50 CDAA COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1cccs1 75325 USQLUUQIMSHJFM-LLVKDONJSA-N 294.332 1.808 0 50 CDAA O=c1c(=O)n(OCc2ccccc2)c2ccccc2n1O 102143 BBSPGYNLZFUDAP-UHFFFAOYSA-N 284.271 1.029 0 50 CDAA CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1C 577502 MHDGCBUHRLFUIG-UHFFFAOYSA-N 258.281 1.330 0 50 CDAA O[C@@H](COc1ccc2ccccc2c1)Cn1cncn1 614527 XBCOIAMDEOJXJA-CQSZACIVSA-N 269.304 1.871 0 50 CDAA CCOC(=O)COc1nc(C)c(Cl)c(OC)n1 1194765 JRLXKGASTJPVPC-UHFFFAOYSA-N 260.677 1.389 0 50 CDAA C[C@@H](NC(=O)C(=O)Nc1nccs1)c1ccccc1 2334231 MOPCCSYTRCROGM-SECBINFHSA-N 275.333 1.959 0 50 CDAA C1=C(c2cnc3c(N4CCCC4)nccn23)CCNC1 2356134168 BNQGYYLHGDJBCR-UHFFFAOYSA-N 269.352 1.706 0 50 CDAA CCc1cc(C(=O)N2CCC[C@@]23CCCN(C)C3=O)on1 2356134476 OQSQILQSUJDHRT-OAHLLOKOSA-N 291.351 1.464 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(F)cc1 2481587 YLGBOWWSOCMXFJ-NSHDSACASA-N 279.340 1.365 0 50 CDAA Nc1ncc(Br)nc1Br 2568140 DTLBKXRFWUERQN-UHFFFAOYSA-N 252.897 1.584 0 50 CDAA in-vitro COCCNC(=O)C[C@H]1Sc2ccccc2NC1=O 2877456 ZYIPLPYKTLYYNC-LLVKDONJSA-N 280.349 1.252 0 50 CDAA CS(=O)(=O)c1ccc2cc(S(C)(=O)=O)ccc2c1 3159920 NOQVIHAPKMDGTE-UHFFFAOYSA-N 284.358 1.647 0 50 CDAA CC1=NN(c2nc(-c3ccccc3)cc(=O)[nH]2)C(=O)C1 4009437 BKAFGNJWGQHHHW-UHFFFAOYSA-N 268.276 1.550 0 50 CDAA O=C(O)CCCC(=O)c1ccc2c(c1)OCCO2 4255758 SZCDSMJFYQLPCC-UHFFFAOYSA-N 250.250 1.895 0 50 CDAA O=C(O)CSCc1nc2ccccc2c(=O)[nH]1 4251150 JOCGAEKYARPXQC-UHFFFAOYSA-N 250.279 1.241 0 50 CDAA O=C(CS(=O)(=O)c1ccccc1)NCc1ccccc1 4496383 MTCPGZZWXZFZMY-UHFFFAOYSA-N 289.356 1.777 0 50 CDAA Cn1nnnc1NCc1ccccc1C(F)(F)F 4512847 DJZFHKVSSPDIGX-UHFFFAOYSA-N 257.219 1.841 0 50 CDAA CCn1nnnc1NCc1cccc(OC)c1OC 8340124 RHMXMRCFABSOIZ-UHFFFAOYSA-N 263.301 1.322 0 50 CDAA Cc1nnc(SCCCNC(=O)[C@H]2CCCO2)s1 63882343 DTUQLECATDPZNG-SECBINFHSA-N 287.410 1.624 0 50 CDAA COCCN(Cc1ccccn1)C(=O)[C@@H](C)n1ccnc1 56984905 PBQUDJNPUDIWHY-CYBMUJFWSA-N 288.351 1.514 0 50 CDAA CCc1n[nH]c(SCC(=O)N[C@@H](C)c2ccncn2)n1 20777165 GJJHDTVJJKLEFN-QMMMGPOBSA-N 292.368 1.127 0 50 CDAA C[C@H](CN1CCOCC1)NCc1noc(-c2ccco2)n1 67643052 KDTZBKZDPGQONV-LLVKDONJSA-N 292.339 1.140 0 50 CDAA Cc1cnc(CNC(=O)c2ccc(C(=O)O)s2)cn1 61323555 YKZFCTJXYZGBEC-UHFFFAOYSA-N 277.305 1.475 0 50 CDAA CCOC(=O)c1cc(S(C)(=O)=O)cnc1C(F)(F)F 2325901446 GOURLDRZUMONBN-UHFFFAOYSA-N 297.254 1.681 0 50 CDAA CN1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1=O 351959658 RRNFCWMHDYZOPJ-JHJVBQTASA-N 264.369 1.851 0 50 CDAA COc1ncc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cn1 67643034 OUUCEPPWUVVZOG-ZFWWWQNUSA-N 277.368 1.612 0 50 CDAA Cc1ccccc1CN1CCN(CC(=O)NC2CC2)CC1 20418573 OBFHPKLXNPTABR-UHFFFAOYSA-N 287.407 1.391 0 50 CDAA Cc1ccn2cc(C(=O)N[C@@H]3CCN4CCCC[C@@H]34)nc2c1 229385494 ARKYDZHLDRFPEN-HIFRSBDPSA-N 298.390 1.999 0 50 CDAA CCOCCN1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C 229385462 ZXGPTXPFXNQJJI-DOTOQJQBSA-N 292.423 1.763 0 50 CDAA Cc1cnn(CC(=O)N[C@@H](C)c2ncc(C)s2)c1 331156349 BTZIZTRNCVHHPQ-JTQLQIEISA-N 264.354 1.834 0 50 CDAA CN1C[C@H](c2nc([C@@H]3CCC(F)(F)C3)no2)CC1=O 281578279 ZQRQVTAKPRTKHK-HTQZYQBOSA-N 271.267 1.918 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCOC[C@H]1CO 253081991 WTWSLRSIRDHJSH-WUHRBBMRSA-N 253.342 1.032 0 50 CDAA O=C1CN(Cc2cnc(NCc3ccccc3)nc2)CCN1 216297564 RVRJTKUSTWRWGX-UHFFFAOYSA-N 297.362 1.021 0 50 CDAA CC[C@H](SC)C(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 328635483 UVSJJBVHRSXXFI-NEPJUHHUSA-N 296.440 1.757 0 50 CDAA CN(CC1CC1)C[C@H]1CN(C(=O)[C@@H]2CC=CCC2)CCO1 328629216 HZBUDTMBRKLHNJ-CVEARBPZSA-N 292.423 1.912 0 50 CDAA CCc1ccc(C(=O)Nc2ccn(CC(=O)O)n2)cc1 122986766 RZVIIDQSYHJZGD-UHFFFAOYSA-N 273.292 1.782 0 50 CDAA O=C(O)C[C@H](NC(=O)c1cncnc1)c1ccc(F)cc1 431208663 CANXLPIBLLDPDH-LBPRGKRZSA-N 289.266 1.562 0 50 CDAA CO[C@@H]1[C@H]2C[C@@H]3CN(c4nc(C)nc(N(C)C)n4)[C@@H]1[C@H]3C2 329224363 ZNXAPEBEJHHBMO-OBPIAQAESA-N 289.383 1.106 0 50 CDAA CC[C@@H]1C[C@H](CNC[C@@H]2CCCCS2(=O)=O)CCO1 329592508 ZJVYWRBGRXLILC-MCIONIFRSA-N 289.441 1.749 0 50 CDAA CS(=O)(=O)N(CCCC(=O)O)c1ccccc1 37388663 JVHZCGNVMRCSRH-UHFFFAOYSA-N 257.311 1.317 0 50 CDAA O=C(O)Cc1ccc(CN2CCC[C@@](O)(CO)CC2)cc1 72163315 XQRHCLHVSGXSLO-INIZCTEOSA-N 293.363 1.023 0 50 CDAA CCc1nc(CN2C[C@H](COC)OC(C)(C)C2)no1 330548725 WLDJCHRGGSLVSO-SNVBAGLBSA-N 269.345 1.258 0 50 CDAA Cc1nc(C)n(-c2ccc(C(=O)N3CCNC[C@H]3C)cc2)n1 125305941 ZSOXVSSVNPVSIQ-LLVKDONJSA-N 299.378 1.318 0 50 CDAA NS(=O)(=O)c1ccc(-n2ccnc2[C@@H]2CCOC2)cc1 71745830 ZOBJHQKCTZIDOU-SNVBAGLBSA-N 293.348 1.024 0 50 CDAA Cc1cccc([C@@H](C(=O)NCC2(C)COC2)N(C)C)c1 217513250 MBGLZHCCKXJGBM-AWEZNQCLSA-N 276.380 1.750 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)NCc2cncs2)C1 128338878 WCUDVFZHOROLCS-MRVPVSSYSA-N 269.326 1.149 0 50 CDAA CSc1nc(C(=O)NCc2nnc(C)o2)cs1 215572515 INHUFHSLKMWNGD-UHFFFAOYSA-N 270.339 1.486 0 50 CDAA Nc1nc(CCc2nc(-c3cccnc3)no2)cs1 32511612 HHXVMFUKQJMKOG-UHFFFAOYSA-N 273.321 1.956 0 50 CDAA O=C(c1ccc2nc(O)[nH]c2c1)N1[C@H]2CC[C@H]1COC2 333705807 FOMZJFZAEFTNFL-UWVGGRQHSA-N 273.292 1.272 0 50 CDAA CCOC1(C(=O)N2C[C@@H](O)C3(CC3)C2)CCCC1 334174602 CCLTUZBBTLZUHY-LLVKDONJSA-N 253.342 1.319 0 50 CDAA Cc1cc(C)nc(NC(=O)N[C@@H]2CCCCNC2)c1 334871151 MAGSDIUEYLHUCZ-GFCCVEGCSA-N 262.357 1.962 0 50 CDAA O=C(N[C@H]1CC12CC2)N1CC(F)(F)C(F)(F)C1 335139179 UIXWHIQQOGHPHE-LURJTMIESA-N 252.211 1.835 0 50 CDAA Cc1ncc(C(=O)N2CC([C@@H]3CCOC3)C2)c(C2CC2)n1 374111647 DAMUQQVXZQTJAL-GFCCVEGCSA-N 287.363 1.771 0 50 CDAA C[C@](O)(CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C(=O)O 262554071 ULVRRXKEVLCTIJ-HNXYLICVSA-N 299.273 1.020 0 50 CDAA CCOC(=O)CN(C(=O)[C@H]1CCO[C@@H](C)C1)C(C)(C)C 240321567 FAKUBZIGIXOLBF-RYUDHWBXSA-N 285.384 1.992 0 50 CDAA Cn1nccc1[C@H]1OCC[C@@H]1NCc1ncc(Cl)n1C 284737546 MUMVCAKCBSGVTE-ZANVPECISA-N 295.774 1.427 0 50 CDAA Cc1nc(C)c(C(=O)N2CCCC[C@H](N(C)C)C2)o1 82146658 QEXSLHNFLZWWTP-LBPRGKRZSA-N 265.357 1.848 0 50 CDAA Nc1nccc(C[C@H]2CC(=O)N(c3ccccc3)C2)n1 223513285 ZLEZYPVAVLQLIM-NSHDSACASA-N 268.320 1.654 0 50 CDAA CC(C)n1cnnc1CN(C)C(=O)c1cnn2ccccc12 85534011 KQRXSSJXYKCSPG-UHFFFAOYSA-N 298.350 1.779 0 50 CDAA COCCN1C[C@@H](Cc2cc(O)c(F)c(F)c2)CC1=O 220460544 GWYPZVHJUFAVBM-JTQLQIEISA-N 285.290 1.708 0 50 CDAA Cn1ncc(CNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)n1 529385367 KYLKPUDYHLFLPT-UONOGXRCSA-N 288.326 1.764 0 50 CDAA O=C1CCC[C@H](C(=O)N[C@@H](c2ccccn2)C2CCC2)N1 529831507 MYLOPJRAUISQSZ-UKRRQHHQSA-N 287.363 1.708 0 50 CDAA NCCCC(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 178085914 CHKCZTKGIWQVIF-ZFWWWQNUSA-N 262.353 1.762 0 50 CDAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](C(=O)O)C1 178270970 ABXWNICPZQCQOK-CMPLNLGQSA-N 279.311 1.937 0 50 CDAA CCOC(=O)c1c(O)cc2oc(=O)cc(O)c2c1O 44559898 PXPLWDFHEMPLOG-UHFFFAOYSA-N 266.205 1.087 0 50 CDAA COc1cc(C[C@@H]2CC(=O)N(c3ccccc3)C2)nc(N)n1 222867228 RTUXDNCJFVJWBR-LLVKDONJSA-N 298.346 1.663 0 50 CDAA CC[C@@H](C)CCNC(=O)N1Cc2nc(C)nc(O)c2C1 426552400 WRFIKYXRMOZWIJ-SECBINFHSA-N 278.356 1.952 0 50 CDAA CNC[C@@H]1CCN(C(=O)Cc2c(OC)cccc2OC)C1 179002583 GWSIEJNJVSQELF-LBPRGKRZSA-N 292.379 1.314 0 50 CDAA COc1ccc(/C=C/CN2CC[C@](C)(O)[C@@H](O)C2)cc1 96151941 FAPMWBPBXMGVAV-PIGHNIFASA-N 277.364 1.526 0 50 CDAA CN1CCCC[C@H]1CC(=O)N1CCC(c2cc[nH]n2)CC1 426698455 PQJKVQPYDYBPQJ-AWEZNQCLSA-N 290.411 1.990 0 50 CDAA CC1(C)CN(c2ccc(CS(C)(=O)=O)cn2)C[C@]1(C)O 91493933 JLBNHRLZDMAMEE-AWEZNQCLSA-N 298.408 1.223 0 50 CDAA Cc1cnn(CCCNC(=O)CC[C@@H]2CCCN(C)C2)c1 91486640 BACXTGBTJKXDGF-HNNXBMFYSA-N 292.427 1.820 0 50 CDAA CN(C)C(=O)[C@@H]1CC[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 238310928 LSKOADYNXKBDTP-OUAUKWLOSA-N 286.372 1.129 0 50 CDAA Cn1cc(Cl)c(C(=O)N[C@H](CO)c2ccc(F)cc2)n1 97360118 VHXWXOCBOMPMPM-LLVKDONJSA-N 297.717 1.676 0 50 CDAA COc1ccc2ccccc2c1CNCCNC[C@@H](C)O 96318716 FIYUUQWXOFFGNT-CYBMUJFWSA-N 288.391 1.908 0 50 CDAA Cc1ccnc(NCCc2nc(-c3cccnc3)n[nH]2)n1 95375964 VUCMIKZAXPLDAK-UHFFFAOYSA-N 281.323 1.620 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)C1 239402981 RJKFJIGHKPUDQB-IJLUTSLNSA-N 251.326 1.912 0 50 CDAA CNC(=O)CCN(C)C(=O)[C@@H](c1ccc(C)cc1)N(C)C 91536504 NOLICOQCEJIVKC-OAHLLOKOSA-N 291.395 1.192 0 50 CDAA CSCc1noc(CN2C[C@H](C3CC3)[C@@H](N)C2)n1 91678641 OBBGTECWWCIOHC-ZJUUUORDSA-N 268.386 1.102 0 50 CDAA CN=c1[nH]nc(-c2ccc(Br)cc2)[nH]1 334163798 GWQWPZWYJWFRMP-UHFFFAOYSA-N 253.103 1.698 0 50 CDAA CN(C)[C@H]1CCN(c2nccs2)C[C@H]1CCCO 91817958 OOABAZZTZFOBJX-NEPJUHHUSA-N 269.414 1.672 0 50 CDAA N[C@H]1C[C@@H](c2cc(N[C@H](CO)Cc3ccccc3)ncn2)C1 244787861 QEZWTPYGXRFNDS-ZNMIVQPWSA-N 298.390 1.697 0 50 CDAA Cc1c[nH]c(CN(C)[C@@H](C)C(=O)NC2CCCCC2)n1 244852917 VBRZQFYDEROBPI-LBPRGKRZSA-N 278.400 1.987 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)c2ccc(O)cn2)CC1 240228075 KFSNXXWKKNRYMN-HOMQSWHASA-N 250.298 1.475 0 50 CDAA COCCC(=O)N[C@H](c1ccc(OC)nc1)[C@H]1C[C@@H](O)C1 244884044 YEDUOMQCZDDGTI-TYNCELHUSA-N 294.351 1.055 0 50 CDAA CCc1nnc(NS(=O)(=O)c2ccc(C)cc2F)o1 296757237 QFUNYLSQLOMRNE-UHFFFAOYSA-N 285.300 1.880 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)S1 608153004 LLQUCQNOTREZCL-IYKVGLELSA-N 255.383 1.906 0 50 CDAA CN(CCC(N)=O)Cc1cc(O)c2cccc(Cl)c2n1 253537427 XZMCHYDQALRAEF-UHFFFAOYSA-N 293.754 1.901 0 50 CDAA CCCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C(=O)O 299749804 LPLPXBQMEMPNMV-WDEREUQCSA-N 256.346 1.182 0 50 CDAA CC(C)Cc1nc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)no1 534670162 VCBBHVOFIKCORS-MPZDIEGVSA-N 276.384 1.450 0 50 CDAA C[C@H](Cc1cnccn1)N(C)C(=O)CCCC(=O)O 299800397 XFLPZEGOUVGWIZ-SNVBAGLBSA-N 265.313 1.121 0 50 CDAA CN(C)c1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1 299803121 XKPRVNGHSHOIRH-CQSZACIVSA-N 276.384 1.920 0 50 CDAA CC1(C)[C@H]2CC=C(CCNC(=O)Cn3cc(N)cn3)[C@@H]1C2 299773604 GGIMATAOQJZSRT-JSGCOSHPSA-N 288.395 1.964 0 50 CDAA Cc1nn(C(C)C)c(C)c1CNC(=O)c1nc[nH]n1 822288437 AECXTQRFDPGRLH-UHFFFAOYSA-N 262.317 1.129 0 50 CDAA Cc1sc2ncn([C@H]3CCS(=O)(=O)C3)c(=O)c2c1C 584899713 XUALUFPBSVLTCF-VIFPVBQESA-N 298.389 1.434 0 50 CDAA CC(C)C[C@H](CNC(=O)c1cc2n(n1)CCO2)CC(=O)O 585135013 TZHCFVVMRQUMIT-JTQLQIEISA-N 295.339 1.142 0 50 CDAA CN(C[C@H]1CCN(C)C1(C)C)C(=O)c1cncc(O)c1 584903127 FASGUCHWKFAAGV-GFCCVEGCSA-N 277.368 1.590 0 50 CDAA CN(C)C[C@]1(CO)CCCN(C(=O)CCC2CCC2)C1 670448894 ILMJZUJBEQOWPC-MRXNPFEDSA-N 282.428 1.729 0 50 CDAA Cc1ccncc1CNC(=O)N1C[C@H](N)C2(CCC2)C1 1553490292 JRZOJFBZDFFFEX-ZDUSSCGKSA-N 274.368 1.413 0 50 CDAA CC[C@@H](CO)N(C)C(=O)c1coc(C2CCOCC2)n1 1450303696 YNCMWUIVIQZHDK-NSHDSACASA-N 282.340 1.412 0 50 CDAA O=C(O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1 1565524260 CRFUGFJQZIIXAM-SECBINFHSA-N 266.688 1.585 0 50 CDAA Cc1nn(C)c(C)c1CN(C(C)C)S(=O)(=O)N(C)C 952868057 AVGSECAMPSVPAU-UHFFFAOYSA-N 288.417 1.054 0 50 CDAA CCn1c(=O)c(=O)n(CC[C@@H]2CCCO2)c2ccccc21 408525353 XYSXWXAPTYKMPU-LBPRGKRZSA-N 288.347 1.752 0 50 CDAA O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(CCn2cncn2)C1 269793677 GXSUARABGUMZCX-RISCZKNCSA-N 294.305 1.364 0 50 CDAA CC[C@H]1C[C@@H](C(=O)Nc2c[nH]c(C(N)=O)c2)CCO1 272709650 DMIPIDGQHADTCA-WPRPVWTQSA-N 265.313 1.257 0 50 CDAA CCC(CC)n1nc(C(=O)N2CC(C)(O)C2)cc1C 277760940 OLOQOYMFCGPETK-UHFFFAOYSA-N 265.357 1.759 0 50 CDAA NC(=O)C1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 169979070 VELQHVVVCHFCGN-UHFFFAOYSA-N 288.225 1.789 0 50 CDAA Cc1cc(C)nc(N2CCN(Cc3noc(C)n3)CC2)n1 301392653 IHZYDOKXCMMFDA-UHFFFAOYSA-N 288.355 1.107 0 50 CDAA COc1ccc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)cc1C 170608189 LPJULNMWSKXJLH-KGLIPLIRSA-N 292.379 1.964 0 50 CDAA O=S(=O)(N[C@H]1C[C@H]1CO)c1cnc(Cl)c(Cl)c1 170606627 QWCBNCCVCOAHJD-XNCJUZBTSA-N 297.163 1.048 0 50 CDAA C[C@@H]1CN(c2ccc(-c3ccnn3C)nn2)CCO1 641273073 IGOWZDJFWXZTIF-SNVBAGLBSA-N 259.313 1.102 0 50 CDAA CCn1cncc1CNC[C@@H]1CCCO[C@H]1c1cc[nH]n1 643819547 ODMOPHIFKPNPED-SWLSCSKDSA-N 289.383 1.884 0 50 CDAA Cc1coc(C)c1C(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 583619048 ZPCTVEKDEXWXOE-AWEZNQCLSA-N 290.323 1.138 0 50 CDAA Cc1cn(Cc2cc(=O)n3c(C)csc3n2)c(C)n1 677646511 WDHQQRAXEUJYIP-UHFFFAOYSA-N 274.349 1.926 0 50 CDAA CN(C(=O)c1csc2cncn12)[C@H](CN)C1CC1 1615046522 HEJUQYNNPZHTJS-SECBINFHSA-N 264.354 1.205 0 50 CDAA Cc1cccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)c1 1616057453 ABFBFMYYEWKNIQ-RDJZCZTQSA-N 283.375 1.820 0 50 CDAA O=C(O)c1n[nH]c2c1CN(Cc1nccs1)CC2 1602567137 JXJLAOYQOKLTCS-UHFFFAOYSA-N 264.310 1.123 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)c1cccc(N)n1 219777708 DFAUTBBSCHDZKX-UHFFFAOYSA-N 273.340 1.366 0 50 CDAA Cc1cccc(OC2CN(CCn3cnnc3)C2)c1 1506404020 DYLJMGGYIAMLGH-UHFFFAOYSA-N 258.325 1.350 0 50 CDAA COc1ncc(I)c(OC)n1 403001 KNTMOGOYRYYUIE-UHFFFAOYSA-N 266.038 1.098 0 50 CDAA in-vitro CCCCOC(=O)[C@@H]1C[N@]1[C@@H](CC)C(=O)OCC 1857666524 OXNCNRWJPHRDLM-COPLHBTASA-N 257.330 1.356 0 50 CDAA Cn1cnc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)c1 1857706922 BQPBTJIWZRGZOP-SNVBAGLBSA-N 284.241 1.849 0 50 CDAA CN(C)c1nccnc1N1CCC[C@H](N(C)C)CC1 1704344725 XJTLTIPBZRNLRO-LBPRGKRZSA-N 263.389 1.463 0 50 CDAA Cc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1C 7915327 BESQAXJDBAGFQJ-UHFFFAOYSA-N 274.320 1.781 0 50 CDAA CCNS(=O)(=O)c1ccccc1Br 9219200 PAMGXYQVJKXRMX-UHFFFAOYSA-N 264.144 1.747 0 50 CDAA in-vitro C[C@@H](NC(=O)OC(C)(C)C)c1nnc(C(=O)O)s1 1857783570 YWKBLNRSJUYLAR-RXMQYKEDSA-N 273.314 1.822 0 50 CDAA CCn1cc(C(=O)NCc2nc(C(=O)O)c(C)s2)cn1 1875291862 NXNKBSXCMOIYEP-UHFFFAOYSA-N 294.336 1.296 0 50 CDAA CC[C@H](C)OCc1nc(C(C)(C)NC(C)=O)no1 151727788 HBNJNJKZAMWQGG-QMMMGPOBSA-N 255.318 1.756 0 50 CDAA C[C@@H](Cc1ccccc1F)NC(=O)C1(C(=O)O)CC1 154818109 RAEFXFMXYZDOQR-VIFPVBQESA-N 265.284 1.738 0 50 CDAA CN1CC2(CN(C(=O)c3csc(Cl)c3)C2)OC1=O 496717361 HPYFGQGQYLKHLB-UHFFFAOYSA-N 286.740 1.678 0 50 CDAA NC(=O)c1cccc(NC(=O)[C@H]2COc3ccccc3O2)c1 11692891 YUTYTZSRMGXAHL-CQSZACIVSA-N 298.298 1.564 0 50 CDAA CNc1cc(S(=O)(=O)NC(C)C)ccc1OC 12382664 KKKDFXLVTDUBET-UHFFFAOYSA-N 258.343 1.424 0 50 CDAA Cc1n[nH]c(C)c1CCCn1cnc2cc[nH]c2c1=O 1857700343 FPMXYZSRJFNCNO-UHFFFAOYSA-N 271.324 1.697 0 50 CDAA Cc1nc(CN(C)C(=O)[C@H]2CCn3nccc3C2)cs1 1857714358 QUQIDQRHZHGGPB-NSHDSACASA-N 290.392 1.869 0 50 CDAA CC(C)[C@@H]1CN2C[C@@H](NC(=O)c3ccoc3)C[C@H]2CO1 1857714549 DPFKNEMXYFKOOW-IHRRRGAJSA-N 278.352 1.507 0 50 CDAA C[C@H](C(=O)O)N1CCN(Cc2cc3ccccc3[nH]2)CC1 629378117 ONECROGPALGUDF-GFCCVEGCSA-N 287.363 1.759 0 50 CDAA COc1ccc(Br)cc1S(=O)(=O)N(C)C 6747000 ZAQVQBBHHBMCPB-UHFFFAOYSA-N 294.170 1.708 0 50 CDAA in-vitro O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccccc2F)[C@H]2C=C[C@H]1C2 100798634 ZCWNOFNGHFABLS-NUZBWSBOSA-N 289.306 1.965 0 50 CDAA O=C(NCc1cccnc1)C(=O)Nc1cccc(F)c1 4304266 UQYWUAWDVDFEJO-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA Cc1ccc(CCCC(=O)N2CCO[C@@H](C(=O)O)C2)s1 237692165 IKRMJPFQYOOFGJ-GFCCVEGCSA-N 297.376 1.691 0 50 CDAA Cc1ccc(CNC(=O)N2C[C@@H](F)C[C@H]2CO)nc1C 335282276 QXOLHHILDNSPAF-AAEUAGOBSA-N 281.331 1.313 0 50 CDAA CCCN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 662336567 ZNTUACLMWUAKDH-CYBMUJFWSA-N 277.416 1.409 0 50 CDAA CC(C)C(=O)NCc1cccc(-n2ccc(C(=O)O)n2)c1 262357684 IEAKKIRPWIANCD-UHFFFAOYSA-N 287.319 1.843 0 50 CDAA CNC(=O)c1cc2cc(NC(=O)C3(F)CC3)ccc2[nH]1 843873957 VOCDTNBXRBJLSM-UHFFFAOYSA-N 275.283 1.968 0 50 CDAA CC[C@@H](COC)NC(=O)NCc1cc(C(F)(F)F)on1 864094537 XCASHFDFLSELCC-ZETCQYMHSA-N 295.261 1.918 0 50 CDAA N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc2c(=O)[nH]ccc2c1 1875287287 CDAFZUGZKZPPED-DRABBMOASA-N 297.358 1.840 0 50 CDAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)C1CCSCC1 1875300481 FKYFJUGFODNOBT-IUCAKERBSA-N 275.395 1.205 0 50 CDAA Cc1ccc(/C=C/C(=O)NS(=O)(=O)CCC2CC2)o1 1875324447 ZFYBLFXXWGJDSG-VOTSOKGWSA-N 283.349 1.847 0 50 CDAA Cc1nc([C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)n[nH]1 1875321507 KZTQYALDNZDGBV-OCCSQVGLSA-N 297.362 1.466 0 50 CDAA C=CC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 1875366736 HJPGPDHXBQCAFP-GFCCVEGCSA-N 262.284 1.229 0 50 CDAA C[C@@]1(c2ccccc2F)C[C@@H]1C(=O)NS(C)(=O)=O 1875390979 CZKNZQFMNBJWDI-SKDRFNHKSA-N 271.313 1.179 0 50 CDAA COc1cncn(Cc2nc(C(C)(C)C)co2)c1=O 1166625267 NUVMVICUEJXDAF-UHFFFAOYSA-N 263.297 1.586 0 50 CDAA CO[C@@H](CN)C(=O)N1c2ccccc2C(C)(C)[C@H]1C 884410236 DRWWHTVYGIACOG-MFKMUULPSA-N 262.353 1.673 0 50 CDAA CN(C)[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)O)s2)C1(C)C 887557620 YSSMLPGXGWTNGH-MNOVXSKESA-N 296.392 1.905 0 50 CDAA O=S(=O)(c1n[nH]c2ncccc12)N1CCCSCC1 888095659 AREMBMFEWCRENB-UHFFFAOYSA-N 298.393 1.086 0 50 CDAA C[C@H](CNC(=O)NN1Cc2ccccc2C1=O)C1CC1 888097478 LGQFZFZYECSGBS-SNVBAGLBSA-N 273.336 1.903 0 50 CDAA COC1CC(CCNC(=O)[C@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)C1 1775960798 RMLNGJGGIZECSH-RXFXENDJSA-N 266.385 1.291 0 50 CDAA COc1ccnc(N(C)C[C@H]2CCc3nc(C)cn3C2)n1 1776006647 YQPNTPDADWEELL-GFCCVEGCSA-N 287.367 1.689 0 50 CDAA C[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)O)Oc1ccccc1 268917579 QRUOCDFEIDZJSO-YUSALJHKSA-N 263.293 1.291 0 50 CDAA N[C@@H]1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 50228888 KYPZCIXZKZJKHN-OEXLFXSVSA-N 263.385 1.698 0 50 CDAA Cc1nnc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 660691096 FWPVOWQPAXHOME-TUAOUCFPSA-N 267.398 1.972 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCCNCC2)c1F 193232335 DMXCNWUBSDKPHU-UHFFFAOYSA-N 272.345 1.118 0 50 CDAA Cc1cc(C)n([C@H]2CCCN([C@H](C)C(=O)O)C2)n1 604774299 OKTZSQVAKCURDB-NEPJUHHUSA-N 251.330 1.610 0 50 CDAA CN(Cc1ccnn1C)Cc1nc2ccccc2n1C 93364038 JWYXJQIESUUXPA-UHFFFAOYSA-N 269.352 1.939 0 50 CDAA N=c1[nH]cc(C(=O)N2CCC[C@H](CCCO)C2)s1 584899456 MIZFBCBGXDOMBH-SECBINFHSA-N 269.370 1.180 0 50 CDAA CCOC(=O)CNc1nc2ccccc2n2cnnc12 1058738 VOQUKTGEJCMGRA-UHFFFAOYSA-N 271.280 1.253 0 50 CDAA Cn1cc(CN2CC[C@@H](C(=O)O)c3ccccc32)nn1 236106843 PMSCWLQRBHUMMZ-GFCCVEGCSA-N 272.308 1.394 0 50 CDAA O=S(=O)(Nc1ccccc1CO)c1ccccc1 318662 PJAREHURDGDTSL-UHFFFAOYSA-N 263.318 1.980 0 50 CDAA O=C(Oc1ccc2ccc(=O)oc2c1)N1CCOCC1 381546 RVTNPEHZVAYPOE-UHFFFAOYSA-N 275.260 1.624 0 50 CDAA CC(=O)c1cccc(OCCN2C(=O)NC(C)(C)C2=O)c1 613844 KVBYHUNBNVMVMP-UHFFFAOYSA-N 290.319 1.598 0 50 CDAA O=c1cc(CN2[C@H]3CCC[C@@H]2C[C@H](O)C3)nc2ccccn12 2356139937 NAGOMTKPYIYSNI-FICVDOATSA-N 299.374 1.572 0 50 CDAA CC(C)SC(=S)N[C@H]1CCS(=O)(=O)C1 4954754 MXPDQAHTHLGMCH-ZETCQYMHSA-N 253.414 1.190 0 50 CDAA O=C(C[C@H]1CCCO1)N[C@H](C(=O)O)c1ccccc1 112493821 SKKCJQMKANTBCP-YPMHNXCESA-N 263.293 1.498 0 50 CDAA OC[C@@H]1C[C@@H](F)CN1c1ccc(C(F)(F)F)nn1 344147146 URRJHXDJBOPUAA-RQJHMYQMSA-N 265.210 1.405 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccco2)[C@H]2C=C[C@H]1C2 100642872 HCQDWAKIDFCJKE-QSFUFRPTSA-N 261.277 1.419 0 50 CDAA Cc1ccccc1N(CCCC(=O)O)S(C)(=O)=O 113872441 DVDRNLBLZIEVQQ-UHFFFAOYSA-N 271.338 1.626 0 50 CDAA CONC(=O)C(=O)Nc1cccc(Cl)c1Cl 134764887 NKHHMGBBAFFWMU-UHFFFAOYSA-N 263.080 1.610 0 50 CDAA Cc1nn(C)c2nccc(N(C)[C@@H](C)C[S@@](C)=O)c12 420614347 WYMMJWAPULXVIZ-ZRNGKTOUSA-N 280.397 1.480 0 50 CDAA CC(C)(C)OC(=O)NC1CCN([C@H]2CCNC2)CC1 22014992 RYEDWVUQVIEGNA-LBPRGKRZSA-N 269.389 1.337 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CSCN2)C[C@@H](c2ccsc2)O1 119483157 PXCBABKCXGKZQW-USWWRNFRSA-N 298.433 1.699 0 50 CDAA CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 229332875 OAXCCHPWIXWSFZ-JHJVBQTASA-N 298.452 1.987 0 50 CDAA NC[C@@H]1Cc2cccc(-c3ccc(C(N)=O)cc3)c2O1 67771801 CKYWBSRDPWTMLJ-ZDUSSCGKSA-N 268.316 1.715 0 50 CDAA Cc1cc(CC(=O)NCc2ccc(-n3cncn3)cc2)on1 67654822 UIFKBPTZQDGRGE-UHFFFAOYSA-N 297.318 1.423 0 50 CDAA CC(C)c1nn(C)cc1NS(=O)(=O)c1cn(C)cn1 281175942 QGQXLUGJXMROGO-UHFFFAOYSA-N 283.357 1.078 0 50 CDAA O=c1[nH]c2ccccc2nc1C1=CN[C@H]2C=CC=C[C@@H]12 198222 HXAZFJZIBFWBJE-JQWIXIFHSA-N 263.300 1.978 0 50 CDAA CCc1ccc(CN2CCO[C@@H](c3nncn3C)C2)o1 328631978 LBRZLYDLTITGAD-CYBMUJFWSA-N 276.340 1.544 0 50 CDAA Cc1c(CN(Cc2cccnc2)C[C@@H]2CCNC2)cnn1C 328656709 ZPGOQCBCAAKJEG-MRXNPFEDSA-N 299.422 1.735 0 50 CDAA Cc1nc([C@@H]2CCCN2C[C@@H]2CCCS(=O)(=O)C2)no1 328860295 AJWXBJACOPDUNQ-RYUDHWBXSA-N 299.396 1.340 0 50 CDAA Cc1nc(=NC(=O)c2ccc3c(n2)CCCC3)[nH]n1C 329277562 LRWKYURGIOLWQK-UHFFFAOYSA-N 271.324 1.072 0 50 CDAA O=C(O)[C@H]1CN(Cc2c[nH]nc2C2CCCCC2)CCN1 71416177 FDNLDRSCSDDXNG-CYBMUJFWSA-N 292.383 1.316 0 50 CDAA COc1ccc2c(c1)OC(C)(C)C[C@H]2NS(C)(=O)=O 72117705 UKEJNYRKVQKYDG-LLVKDONJSA-N 285.365 1.847 0 50 CDAA CO[C@@H]1C=CC2=CCN3CC[C@H]4COC(=O)C=C4[C@]23C1 34911981 IXPDLJKEPLTCOU-GHJWDPDVSA-N 273.332 1.445 0 50 CDAA CNC(=O)CCN(C)Cc1cnc2cc(O)ccc2c1 71638897 LSXXPTYCVKVJJY-UHFFFAOYSA-N 273.336 1.508 0 50 CDAA O=C1NCCC[C@H]1Nc1nccc(CCC(F)(F)F)n1 71715074 WMLHKCYMVZFYSJ-SECBINFHSA-N 288.273 1.662 0 50 CDAA CCc1nc([C@H]2CCCN2CCOC[C@H]2CCCO2)no1 257365553 OPANFCQHIJXZLC-CHWSQXEVSA-N 295.383 1.965 0 50 CDAA CC(C)(CN1CCOCC1)NC(=O)CCc1ccncc1 332634032 SBEYUIOCLSHZMN-UHFFFAOYSA-N 291.395 1.241 0 50 CDAA C[C@H](C(=O)Nc1nccs1)N1CCOCC2(CCC2)C1 363883127 AXBJKUMLAJOERC-LLVKDONJSA-N 295.408 1.973 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@@H](c3ccncn3)C2)on1 219091683 IATQSTJWHJLBSC-GFCCVEGCSA-N 286.335 1.722 0 50 CDAA CCC(=O)N1CCN(C(=O)c2scnc2C(C)C)C1 333626878 VEQBXNGLNDHGEL-UHFFFAOYSA-N 281.381 1.918 0 50 CDAA CO[C@@H]1C[C@H](N(C)C(=O)Nc2ccnnc2)C12CCC2 333683512 BCTVRPLTSXRMSQ-NWDGAFQWSA-N 276.340 1.898 0 50 CDAA C[C@@H]1CN(C(=O)C2CCNCC2)c2ccc(F)cc2O1 237553343 MHCJZFWKKWNJHQ-SNVBAGLBSA-N 278.327 1.939 0 50 CDAA CCc1ocnc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 262783033 JJXPTCZWUWZALM-UHFFFAOYSA-N 292.295 1.506 0 50 CDAA Cc1cnc(C(=O)N2CCOC[C@@H]2c2cccn2C)cn1 377243429 JJPVONISUXPFFW-CQSZACIVSA-N 286.335 1.337 0 50 CDAA O=C(N[C@H]1COc2ccccc2C1)c1n[nH]c2c1CCC2 215071582 RYCHOBXBOHTUCF-LLVKDONJSA-N 283.331 1.632 0 50 CDAA CC[C@@H](C)NC(=O)Cn1cnc2snc(C)c2c1=O 283100189 RFHBMAQRZBDEKZ-SSDOTTSWSA-N 280.353 1.076 0 50 CDAA CCc1ccc2nc(C)cc(C(=O)N[C@@H]3CNC[C@H]3O)c2c1 77322114 MAIPQFXLXDNKOZ-HZPDHXFCSA-N 299.374 1.168 0 50 CDAA C[C@@H](Cc1cccs1)NC(=O)CCS(C)(=O)=O 75574306 LOAPDFYSJRGGFR-VIFPVBQESA-N 275.395 1.230 0 50 CDAA CC[C@H](C)C(=O)N1CCn2nc(CCC(=O)O)cc2C1 72144047 ZQDPNONXQZLBQN-JTQLQIEISA-N 279.340 1.289 0 50 CDAA COc1ccc([C@H]2OCC[C@@H]2NCc2cncn2C)cn1 284409419 BLUGUZVWMZMJOJ-DZGCQCFKSA-N 288.351 1.444 0 50 CDAA Cc1ccncc1CN1CCC[C@](O)(Cn2ccnn2)C1 284678667 ZINUCFGMAMDUSE-OAHLLOKOSA-N 287.367 1.009 0 50 CDAA Cc1cnccc1CN(C)Cc1cc2n(n1)CCCNC2 72150620 SDHQNYCXOUSYRX-UHFFFAOYSA-N 285.395 1.712 0 50 CDAA CCCN1CCC[C@@H]1C(=O)NC[C@@H](O)Cc1ccccc1 222105233 ULUWZSFNSSRVJB-JKSUJKDBSA-N 290.407 1.581 0 50 CDAA CC(=O)NCC(=O)N[C@H](c1ccncc1)c1ccccc1C 221335785 NOJCXPAAKDNVSR-QGZVFWFLSA-N 297.358 1.732 0 50 CDAA CO[C@H]1CC[C@@H](NC(=O)c2cccc(OCC(=O)O)c2)C1 263575126 OMTWYDKJRSRJMP-NEPJUHHUSA-N 293.319 1.447 0 50 CDAA C/C=C/C(=O)N1CS(=O)(=O)[C@@]23CC[C@@H](C[C@@H]12)C3(C)C 43763504 FXKFUAWWXSJFBU-LKEMYOTCSA-N 283.393 1.724 0 50 CDAA CCc1ccc(C(=O)NCCc2nnc(C)s2)[nH]1 220239389 RRGDQRNGIKBMDP-UHFFFAOYSA-N 264.354 1.710 0 50 CDAA Cc1nc(C2CC(O)C2)cc(N(C)Cc2nnc(C)o2)n1 222772108 OVMUKPIMUBUINN-UHFFFAOYSA-N 289.339 1.351 0 50 CDAA Cc1ccc([C@@H]2CC(=O)c3c(N)nc(N)nc3C2)o1 95117771 DIFYRJTXWJRHCJ-ZETCQYMHSA-N 258.281 1.455 0 50 CDAA O=C(NCc1ccccc1F)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 426578527 COYDIHQYDBLVJT-IMRBUKKESA-N 278.327 1.738 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 179220561 RMRZSEOCIVCHFB-GXTWGEPZSA-N 299.378 1.467 0 50 CDAA CN(CC(=O)N1CC[C@H](c2ccccc2Cl)C1)C(N)=O 426477508 FGBMDGYWFNORMX-JTQLQIEISA-N 295.770 1.666 0 50 CDAA CCN(Cc1cccc(-n2cccn2)c1)[C@H]1COC[C@@H]1O 97179447 BKUURBBMLMGSGS-HOTGVXAUSA-N 287.363 1.454 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)c1cc(F)cc2[nH]cnc12 238037914 RHSFBTURYHAGCW-NSHDSACASA-N 291.282 1.781 0 50 CDAA COc1c[nH]c(C(=O)N2CCC[C@@H](CSC)C2)cc1=O 97638045 RNWNTCOLJSYLOR-SNVBAGLBSA-N 296.392 1.599 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cccc(C(=O)O)n1 534586809 ATCZBYPGTNMHTP-ITGUQSILSA-N 276.336 1.922 0 50 CDAA CC(=O)N1CCCN(c2nc3c(s2)c(C)nn3C)CC1 95504522 PLJOCZCDYRQWRC-UHFFFAOYSA-N 293.396 1.397 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]21 534668561 QHCIKAOVKAYHIQ-ITGUQSILSA-N 281.739 1.981 0 50 CDAA O=C(N[C@H]1CCCCNC1=O)c1cccc(-c2ncc[nH]2)c1 97546561 LTUVPFNMVXBVDT-ZDUSSCGKSA-N 298.346 1.475 0 50 CDAA c1nnnn1CCCN1CCN(C2CCCCC2)CC1 243932707 BYGZRCGRYDZCLE-UHFFFAOYSA-N 278.404 1.014 0 50 CDAA CN(CC(=O)NCCc1cscn1)C1CCCC1 244872939 WHIBDUZPVIXTKC-UHFFFAOYSA-N 267.398 1.676 0 50 CDAA COc1cccc2c1OCCCN(C[C@@H]1COCCO1)C2 244626511 FNBYYUMCYCAQCZ-CQSZACIVSA-N 293.363 1.695 0 50 CDAA Cc1ccc(OC2CN([C@@H](C)C(=O)NC3CC3)C2)cc1 244735145 NTLPTPNFSBEUMT-LBPRGKRZSA-N 274.364 1.725 0 50 CDAA Cc1nnc(CN(C)CCCc2c(C)n[nH]c2C)o1 252507741 WTIIHTYVLFKZBH-UHFFFAOYSA-N 263.345 1.783 0 50 CDAA CN1N=C(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)CCC1=O 183054951 GFECVKNKBNSKIS-SNVBAGLBSA-N 281.356 1.057 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1csnn1 250775749 PFXMTTKJFYMONI-QNSHHTMESA-N 281.337 1.396 0 50 CDAA O=C1NCCc2c1cnn2Cc1cc(F)cc(F)c1 601013380 NQFAUBVFUOOKNX-UHFFFAOYSA-N 263.247 1.496 0 50 CDAA Cn1cc([C@@H]2CN(Cc3cncc(F)c3)C[C@H]2CO)cn1 299743794 MHDTZKKBFVOSMC-ZFWWWQNUSA-N 290.342 1.162 0 50 CDAA OCc1cnc(Cl)c(I)c1 253496149 LGCSOXVYLVIJLZ-UHFFFAOYSA-N 269.469 1.832 0 50 CDAA CCCCc1nc(C)cc(=NCCN[C@@H]2CCCOC2)[nH]1 534674659 AQJGGLFKCUGGBQ-CQSZACIVSA-N 292.427 1.730 0 50 CDAA O=C(CN1CCCCCCC1)NCCc1ncc[nH]1 534580243 WIKTXZQGINCSFJ-UHFFFAOYSA-N 264.373 1.335 0 50 CDAA CCn1nc(C)cc1S(=O)(=O)N[C@H](C)c1cccnc1 534589109 FVGCAUNSEIQPNN-LLVKDONJSA-N 294.380 1.646 0 50 CDAA CCn1nc(C)c(CNC(=O)[C@@H](C)Cn2cncn2)c1C 299796755 OIAMKVRQAWXIKD-JTQLQIEISA-N 290.371 1.064 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 290315808 DOEXFSYSRHXADM-AAEUAGOBSA-N 291.307 1.122 0 50 CDAA O=C(c1ccccc1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 299759042 MXJIPQFCCVQVCD-UONOGXRCSA-N 284.319 1.264 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)C1(COC)CCC1 299801656 ZXPCQFUJHRAHSS-LLVKDONJSA-N 280.372 1.682 0 50 CDAA C[C@H]1CN(CC(=O)N(C)Cc2ccoc2)C[C@@H](C)O1 299785718 KAYZKJZURLUMNK-TXEJJXNPSA-N 266.341 1.347 0 50 CDAA CN(C[C@H]1CCOC1)C(=O)CCN1CCCCCC1=O 823628184 FXQZGVFLMDYIPE-CYBMUJFWSA-N 282.384 1.274 0 50 CDAA CCc1ncc(S(=O)(=O)N[C@@H](CC)c2ncc(C)[nH]2)[nH]1 822650335 HJEWSSITTRGZHY-VIFPVBQESA-N 297.384 1.433 0 50 CDAA Cc1nc([C@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)no1 584894628 FHBPFWUVYZSOFZ-LBPRGKRZSA-N 289.339 1.440 0 50 CDAA CCc1cnc(NC(=O)[C@@H]2CCCC(=O)N2C)s1 906835906 FCEBTUPJWVBGQZ-VIFPVBQESA-N 267.354 1.655 0 50 CDAA COC(=O)[C@@H]1Cc2c(C)cccc2N1Cc1csnn1 585136605 MSZQOOPHRUTBSD-ZDUSSCGKSA-N 289.360 1.951 0 50 CDAA CC(=O)N1CCC[C@H](N=c2[nH]nc(C)c3ccccc23)C1 584901485 YCJAHFQRQQUJFU-ZDUSSCGKSA-N 284.363 1.783 0 50 CDAA NC(=O)Cc1nc(-c2csc3c2CCCC3)n[nH]1 670450303 ARZUOBILJUALGF-UHFFFAOYSA-N 262.338 1.440 0 50 CDAA CCCc1cc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2N)on1 670437431 STMAEOFFHUOCSW-QOBDMFJFSA-N 275.352 1.393 0 50 CDAA NC(=O)C1(NC(=O)[C@@H]2CC23CCNCC3)CCCCCC1 670450972 LANQUQNBSKITTC-LBPRGKRZSA-N 293.411 1.071 0 50 CDAA C[C@]1(O)C[C@@H](NC[C@@H](O)c2c(F)cccc2F)C1 1346312856 MWZZFRIXTXKYFZ-DYLAAIIWSA-N 257.280 1.501 0 50 CDAA CC[C@H]1C=CCN1C(=O)CCC(=O)Nc1nncs1 952983695 UVYXKBZIEBWSMX-VIFPVBQESA-N 280.353 1.434 0 50 CDAA CC(C)(C)n1nnc(COc2ccc(C(N)=O)cc2F)n1 1459295852 DXPSUYZOWTVBNJ-UHFFFAOYSA-N 293.302 1.245 0 50 CDAA c1cnc(-c2nc(CNC[C@H]3CCOC3)cs2)cn1 952860015 SEQCNAAIQFZQFU-SNVBAGLBSA-N 276.365 1.726 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)c1cnn(C(F)F)c1 630158543 SFYVUYDYDKTJMM-SECBINFHSA-N 287.266 1.748 0 50 CDAA O=C(c1cncnc1)N1CCO[C@H](c2cccs2)C1 273602272 GCYCWDXLTMQHPD-NSHDSACASA-N 275.333 1.752 0 50 CDAA NC(=O)[C@@H](NC[C@@H]1CCc2nccn2C1)c1ccccc1 275577383 OUFCXWODRQOJGX-WFASDCNBSA-N 284.363 1.262 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CC(=O)CO2)C1 90411693 FYSJPKBXFXYASC-ZDUSSCGKSA-N 255.314 1.746 0 50 CDAA in-vitro C[C@@H]1OCCC[C@@H]1C(=O)Nc1c2c(nn1C)CCC2 276828883 NPMHBSKVGRNZCG-UWVGGRQHSA-N 263.341 1.662 0 50 CDAA O=C(NS(=O)(=O)c1ccccc1)[C@@H]1C[C@H]2C=C[C@H]1C2 408135742 ZKEGBBSYIKMGMH-GMXVVIOVSA-N 277.345 1.704 0 50 CDAA Cn1cc(C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c(C(C)(C)C)n1 408189707 YERRSEIVCNALRB-GVXVVHGQSA-N 291.395 1.561 0 50 CDAA C/C=C(\C)C(=O)NC1(C(=O)O)Cc2ccccc2C1 222161610 HCHIEVPEPWAOEG-XCVCLJGOSA-N 259.305 1.691 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCN[C@H](C)C1 188370908 QKBAAJJKLMWHHC-RKDXNWHRSA-N 251.330 1.215 0 50 CDAA CC[C@H](C)[C@@H](C)NC(=O)N1CCCNC(=O)[C@@H]1C 191285519 VTPSUNHBDLCOSK-AXFHLTTASA-N 255.362 1.341 0 50 CDAA COC[C@H]1CN(Cc2nc(C3CC3)no2)CC(C)(C)O1 583616675 WCPCENBJUWZOFO-LLVKDONJSA-N 281.356 1.573 0 50 CDAA O=C(O)c1cccc(C(=O)NC[C@@H]2CCCCN2)c1 585090306 XHPLOBYDBQPWOE-LBPRGKRZSA-N 262.309 1.257 0 50 CDAA COCc1nc(C)cc(N2[C@H]3CC[C@@H]2CN(C)CC3)n1 585092035 BONHGOINUWBFFT-QWHCGFSZSA-N 276.384 1.604 0 50 CDAA C[C@H](CC(=O)NC(C)(C)CCCN(C)C)N1CCCC1=O 585121495 QWGKVGFZORTHHM-CYBMUJFWSA-N 297.443 1.624 0 50 CDAA Cc1nc(C(=O)N2CCCC[C@H]2CO)c(C)s1 97711822 VYNYQQDZRQWEBL-JTQLQIEISA-N 254.355 1.747 0 50 CDAA CC1(F)CCN(C(=O)[C@H]2C[C@@H]3[C@@H](N)C[C@H]3C2)CC1 1615546522 LQZZAZJWXSIRLT-WYUUTHIRSA-N 254.349 1.710 0 50 CDAA C[C@@H]1CCN(C(=O)c2ccc3ncnn3c2)CCS1 1615585830 GPTJZWUBLCJAMJ-SNVBAGLBSA-N 276.365 1.697 0 50 CDAA CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC/C=C/C(=O)O 1615551229 PCBWZBUBNISBDS-TZOMUSMUSA-N 296.367 1.171 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)c2ccc(=N)[nH]c2)cn1 1857691788 XRWIFMFOUUWMFZ-SNVBAGLBSA-N 256.309 1.689 0 50 CDAA Cc1cc(O)nc(NC(=O)[C@@H]2COc3ccccc32)n1 1875324191 LNZUZRSTEJXCDQ-SNVBAGLBSA-N 271.276 1.605 0 50 CDAA Cn1nccc1CCC(=O)Nc1c2c(nn1C)CSC2 1506421557 IOSUTWBLJWXFLS-UHFFFAOYSA-N 291.380 1.472 0 50 CDAA COc1cccc(NC(=O)NCCCN(C)C)c1 2853514 ONHVLFROQJGQFF-UHFFFAOYSA-N 251.330 1.768 0 50 CDAA CCOCCN(C)[C@@H](C(=O)O)c1ccc(OC)c(F)c1 1529189677 UJXWTFARALHNFW-CYBMUJFWSA-N 285.315 1.928 0 50 CDAA C[C@H](C(=O)NCCCn1ccc2ccccc21)n1cnnn1 1616122274 DPTKPNVWZOWHFS-GFCCVEGCSA-N 298.350 1.395 0 50 CDAA C[C@@H]1CCCCN1C1CN(C(=O)c2cnsc2)C1 1857694739 IWDSGVBVNTTWKV-SNVBAGLBSA-N 265.382 1.842 0 50 CDAA CN1CCCC2(CCN(c3cncc(N)n3)CC2)C1 1857699406 TVHBVXVHHWSLNA-UHFFFAOYSA-N 261.373 1.371 0 50 CDAA Cc1cc(C(N)=O)c(NCC[C@H]2CCCN(C)C2)nc1C 1704313376 OXAZKAKFOBKDGR-CYBMUJFWSA-N 290.411 1.941 0 50 CDAA Cc1ccc(Cl)c(C(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)c1 1704340384 HYOSDQJWBSWCTK-JOYOIKCWSA-N 297.738 1.556 0 50 CDAA Cc1ccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)nn1 212546965 WQPSFFVXTAUJSL-KGLIPLIRSA-N 286.379 1.622 0 50 CDAA NCCCn1cc(C(=O)NCCC2CCCCC2)nn1 423008340 ZYPOJPYTOHRCNH-UHFFFAOYSA-N 279.388 1.327 0 50 CDAA O=S(=O)(NCc1ccccc1)N1CCCCCC1 4867904 PPTLOZBPUPTMSI-UHFFFAOYSA-N 268.382 1.897 0 50 CDAA CCCN1CCN(c2nnc(-n3cccc3)s2)CC1 6750031 CTMKBAWIJQZEQN-UHFFFAOYSA-N 277.397 1.861 0 50 CDAA CC1(CC(F)F)CN(C(=O)c2cccc(C(N)=O)c2)C1 649020907 IFMZJCSTSNNFJX-UHFFFAOYSA-N 282.290 1.903 0 50 CDAA CC[C@@H]1[C@H](C)CCN1CC(=O)N1CCO[C@@H](C)C1 230241750 YLGTWCIERSEJTK-FRRDWIJNSA-N 254.374 1.354 0 50 CDAA COC(=O)CCCC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 159227383 HZWQHZOYVWXBQQ-OLZOCXBDSA-N 282.384 1.272 0 50 CDAA CCOC(=O)[C@@H]1C(=O)CCN1C(=O)OC(C)(C)C 34607376 XSFVPTGDKAJZDH-VIFPVBQESA-N 257.286 1.128 0 50 CDAA in-vitro Cc1cccnc1C(=O)N1CCCN([C@@H]2CCOC2)CC1 1775984373 RCOLBFYLAVHSBS-CQSZACIVSA-N 289.379 1.327 0 50 CDAA CN(C)[C@@]1(c2ccccc2)CS(=O)(=O)C1(C)C 12384101 CIOUANFPIMXUJW-CYBMUJFWSA-N 253.367 1.651 0 50 CDAA Nc1nncn1C(=O)c1ccccc1Br 16266845 TWAOYHKGZWMJQX-UHFFFAOYSA-N 267.086 1.311 0 50 CDAA O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ncc(C2CC2)o1 408044515 VHRLGTBMEGOYKB-MELADBBJSA-N 292.379 1.914 0 50 CDAA Cc1nsc(N2CCCN(C(=O)N[C@@H]3C[C@H]3C)CC2)n1 110638058 KAYCKHXCFSZJEL-MWLCHTKSSA-N 295.412 1.477 0 50 CDAA Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCC[C@@H]1CN 416433328 OPBXTWJIEGJNCZ-DGCLKSJQSA-N 279.388 1.077 0 50 CDAA O=C(NC[C@H]1CCCO1)C(=O)Nc1ccccc1Cl 2864589 NOUPYYMNWHLZLF-SECBINFHSA-N 282.727 1.574 0 50 CDAA O=C(NCc1ccco1)C(=O)Nc1ccc(F)cc1F 4583689 PDXWDFCOXFGVEK-UHFFFAOYSA-N 280.230 1.813 0 50 CDAA CC(C)c1nc(=N[C@H]2CCO[C@@H]2c2nccn2C)s[nH]1 328631673 RGNQFVQTIKJDTN-UWVGGRQHSA-N 293.396 1.759 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc[nH]c1 334238374 SSSCNYOKJGXHPQ-CYBMUJFWSA-N 260.341 1.928 0 50 CDAA CO[C@@]1(CO)CCCN(C(=O)c2cc(C)sn2)C1 585113608 PPHBDMULJIKUFX-LBPRGKRZSA-N 270.354 1.065 0 50 CDAA C[C@@]12CCCN1C(=O)N(c1ccc(-n3cccn3)nc1)C2=O 813358021 VMNLGSNCJQPXKD-HNNXBMFYSA-N 297.318 1.588 0 50 CDAA COc1c(C(=O)N2CCc3ncccc32)cnn1C 1119915726 ZVPBESJJBQAFSH-UHFFFAOYSA-N 258.281 1.027 0 50 CDAA C[C@H]1CC(=O)N[C@@H](C(=O)NCCc2cccc(Cl)c2)C1 864547672 VRSYDMGBICSJLP-ZWNOBZJWSA-N 294.782 1.913 0 50 CDAA C[C@@H](Cc1ccno1)NC[C@@](C)(O)C(=O)OC(C)(C)C 952995708 WDPDXUXBWCUKNO-IINYFYTJSA-N 284.356 1.288 0 50 CDAA c1cc2c(cc1-c1ccc3nncn3c1)OCCNC2 1875290165 BSDBUFVZWABMLE-UHFFFAOYSA-N 266.304 1.878 0 50 CDAA COc1ccc(-c2cn(CCN3CCCCC3)nn2)cn1 1875282062 LIHWJYWYCKIAOF-UHFFFAOYSA-N 287.367 1.835 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccn2)C1 1875278040 UTLNXDZEGOHUEY-QJPTWQEYSA-N 274.320 1.508 0 50 CDAA O=C(N[C@@H]1CCOC1)[C@H]1CC(c2ccc(F)cc2)=NO1 1875345943 NKANCJIZJSYXQJ-DGCLKSJQSA-N 278.283 1.224 0 50 CDAA Cc1cc(OCC(=O)NS(C)(=O)=O)cc(C)c1Cl 1875390883 ZYHLHFNJJTYRCM-UHFFFAOYSA-N 291.756 1.411 0 50 CDAA CCc1oc(C(=O)OC)cc1Cn1c(C)noc1=O 1875391357 QWTQOXYGKOATBQ-UHFFFAOYSA-N 266.253 1.135 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nc(C)no2)C1 888079294 TZOZBEZVLPMPLJ-NXEZZACHSA-N 263.301 1.063 0 50 CDAA Cn1cccc1C(=O)N1CCC[C@H]1c1ccc(N)nn1 888078607 AMAJKWBVENUZLN-NSHDSACASA-N 271.324 1.375 0 50 CDAA O=C(c1ccn(C2CCCCC2)n1)N1CC[C@H]1CO 889149103 AJECIRUTRHKYTC-LBPRGKRZSA-N 263.341 1.595 0 50 CDAA C[C@H](O)C(=O)Nc1cccc([C@@H](O)C(F)(F)F)c1 1776007061 LAXOEKLVFJZXAP-IMTBSYHQSA-N 263.215 1.602 0 50 CDAA COc1cccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)c1 20572467 OBDRCNLTCAYLEF-RYUDHWBXSA-N 278.352 1.743 0 50 CDAA CN1CCO[C@H](CNc2nccc3ccccc23)C1 168702853 LGLRXOPKPZQPTI-CYBMUJFWSA-N 257.337 1.977 0 50 CDAA CCc1ccccc1O[C@H](C)C(=O)N1CCOCC1 30872112 KUMUEZWUDKZUET-GFCCVEGCSA-N 263.337 1.875 0 50 CDAA C[C@@]1(O)CCN(C(=O)c2ccnc3ccccc23)C1 177347715 ZEKLLQFVACFPNT-OAHLLOKOSA-N 256.305 1.832 0 50 CDAA CC(C)c1nc(CCNC(=O)[C@@H]2CCCNCC2)no1 299773919 GQNOSVVWNIKJDD-LLVKDONJSA-N 280.372 1.241 0 50 CDAA C[C@H]1CN(Cc2ccn(C3CCCC3)n2)S(=O)(=O)C1 333901587 IVGQTZCSMRQBSP-NSHDSACASA-N 283.397 1.780 0 50 CDAA CN(CCN1CCOCC1)c1ncc(C(=O)O)cc1Cl 647446538 ZJAWXVZQRVVALO-UHFFFAOYSA-N 299.758 1.202 0 50 CDAA CO[C@@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)C1 656475251 QBUVDOSKZKBGGX-CHWSQXEVSA-N 277.320 1.816 0 50 CDAA Cc1ccc2[nH]c(C(=O)Nc3cn(C)nn3)cc2c1 576323709 RTOLLKLZSUOSJP-UHFFFAOYSA-N 255.281 1.857 0 50 CDAA Cc1nc(C)c(CNC(=O)c2ccc(C(=O)O)s2)o1 382176272 GTNSBLWUTNZGET-UHFFFAOYSA-N 280.305 1.981 0 50 CDAA NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 4722324 HSUUJYDTDMJAPD-VIFPVBQESA-N 265.288 1.555 0 50 CDAA Cc1nc([C@@H](C)OC(=O)c2c(C(C)C)cnn2C)n[nH]1 2325769394 KMSRQZDRMOTQOJ-MRVPVSSYSA-N 277.328 1.888 0 50 CDAA Cc1cc(C)c(C(=O)N[C@H](C)c2nc[nH]n2)c(C)n1 906861371 OOCYNYAWAJVZQB-SNVBAGLBSA-N 259.313 1.616 0 50 CDAA CC(C)Oc1cccc(CC(=O)N2CC[C@H](N)C2)c1 152277448 BBFOABGSLAUKPF-ZDUSSCGKSA-N 262.353 1.576 0 50 CDAA COc1cccc(NC(=S)N2CCOCC2)c1 79387 CEJQDZXDKAVQPG-UHFFFAOYSA-N 252.339 1.724 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1F 193898 IOQIUATUEDSTQV-GFCCVEGCSA-N 278.283 1.969 0 50 CDAA Cc1cccc(C[C@]2(O)C(=O)Nc3ccccc32)n1 409966 ZPHCOLFKJTVWNJ-OAHLLOKOSA-N 254.289 1.772 0 50 CDAA C[C@]1(c2ccc(Br)cc2)NC(=O)NC1=O 1865438 ZQUNVNMQLMHUDO-SNVBAGLBSA-N 269.098 1.504 0 50 CDAA CCN1CCO[C@@H](CC(=O)Nc2ccc(C)c(C)c2)C1=O 2328279 ARQMXRMPYZVWBI-AWEZNQCLSA-N 290.363 1.879 0 50 CDAA O=C1NCCC[C@]12CCCN2CCn1cc(Cl)cn1 2356138517 NVDGGSQLUWTLML-ZDUSSCGKSA-N 282.775 1.281 0 50 CDAA COc1cc2c(cc1-c1ccc(N(C)C)nn1)OCO2 2356140336 FKTDRZPVGFGLMY-UHFFFAOYSA-N 273.292 1.947 0 50 CDAA C[C@H](O)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 2994027 HYWZVKHXMDLZDB-ZETCQYMHSA-N 290.241 1.141 0 50 CDAA COc1cnc(N2CC[C@@H](c3ccccc3)[C@H](O)C2)nc1 2356147586 DDGRMNIABFDOKS-LSDHHAIUSA-N 285.347 1.840 0 50 CDAA CCC1(CC)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O 3683293 DSZFODDKZSKWRO-UHFFFAOYSA-N 288.303 1.712 0 50 CDAA COC(=O)CN1C(=O)COc2ccc(Cl)cc21 3913680 SLOPGXMYCAATKU-UHFFFAOYSA-N 255.657 1.238 0 50 CDAA aggregator COc1ccc2nc(N3C(=O)CNC3=S)sc2c1 4320878 AXQUWWNYXSEOGU-UHFFFAOYSA-N 279.346 1.526 0 50 CDAA CC(=O)Nc1ccc(OCC(=O)NCc2ccco2)cc1 4349918 GUQJKRYWTNVEIS-UHFFFAOYSA-N 288.303 1.933 0 50 CDAA COC(=O)c1cc(NC(C)=O)ccc1N1CCOCC1 4749019 YOWMMPDRXNHYSO-UHFFFAOYSA-N 278.308 1.268 0 50 CDAA COc1ccc(NCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100509644 AQNJZXKWWFHXJM-GVARAGBVSA-N 298.342 1.872 0 50 CDAA O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(CCn2ccnc2)C1 225530342 BWSAULNYLYTTCD-DOMZBBRYSA-N 293.317 1.969 0 50 CDAA OC[C@@H](O)CN(Cc1cccnc1)Cc1ccsc1 55341195 QSBLPNDXJPTJLI-AWEZNQCLSA-N 278.377 1.499 0 50 CDAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101114111 RNCUXXBHUIJUFX-UOVKNHIHSA-N 297.310 1.923 0 50 CDAA C[C@@H]1OCC[C@]1(O)CNc1ncc(Br)cn1 228007724 GVTKDOLAEMHKMD-XVKPBYJWSA-N 288.145 1.191 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](N)C2)c(F)cc1F 135211156 JZKTYWWJFKBKCG-SECBINFHSA-N 254.280 1.837 0 50 CDAA CCCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 65363748 FYEZMUFJRNIJDE-UHFFFAOYSA-N 298.408 1.921 0 50 CDAA Cc1cccnc1C[C@H](C)N(C)c1cc(CCN)ncn1 67678365 WEHJGWDDEUSUFD-ZDUSSCGKSA-N 285.395 1.749 0 50 CDAA Cc1ncc(CN(C)CCN(C)C2CCN(C)CC2)cn1 351751556 JKHXHCIJCMDIHV-UHFFFAOYSA-N 291.443 1.243 0 50 CDAA O[C@H]1C[C@H](c2cccc(F)c2)N(c2nccn3cnnc23)C1 253623570 ZWALGQZEZXLVNH-QWHCGFSZSA-N 299.309 1.576 0 50 CDAA Cc1csc(Cc2n[nH]c(=O)n2Cc2ccco2)n1 65489186 UJFJTRVUXDBXOE-UHFFFAOYSA-N 276.321 1.568 0 50 CDAA CN1C[C@@H](c2n[nH]c(=O)n2-c2cccc(Cl)c2)CC1=O 65526444 TYUCWFYWHPQROY-QMMMGPOBSA-N 292.726 1.160 0 50 CDAA COC(=O)c1c(F)ccc(S(C)(=O)=O)c1OC 306146036 APKMGRXGYRZONX-UHFFFAOYSA-N 262.258 1.024 0 50 CDAA NCCCCNC(=O)c1cc(Br)ccc1O 125266618 FCDFNCLOQQVMJG-UHFFFAOYSA-N 287.157 1.623 0 50 CDAA CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1 229963323 MGNVQGPLAYMVJM-XHDPSFHLSA-N 282.359 1.704 0 50 CDAA COCC1CCN(C(=O)NCc2cc(C)no2)CC1 171939662 HTWPXHCCNSQVGN-UHFFFAOYSA-N 267.329 1.551 0 50 CDAA CCCC(CCC)N1CCN(c2cc(N)nc(N)n2)CC1 65372385 YVDVSYTXLYNMTH-UHFFFAOYSA-N 292.431 1.732 0 50 CDAA C[C@H](OC(=O)[C@H](C)N(C)CC(F)(F)F)[C@@H]1CCOC1 230255781 CNHCTEJWZIYUCS-LPEHRKFASA-N 283.290 1.837 0 50 CDAA COc1cc(N2CC(C)(C)N(C)C[C@@H]2C)ncn1 65493285 SAZKDWNVIBLJMQ-JTQLQIEISA-N 250.346 1.404 0 50 CDAA CCOC(=O)[C@H](C(C)=O)[C@H]1c2ccccc2OC(=O)N1C 39254333 ZLDCJOXEUMIIBG-CHWSQXEVSA-N 291.303 1.940 0 50 CDAA COCC1(CNS(=O)(=O)c2ccccc2F)CCC1 281861384 BZXJZYFWIMKPDS-UHFFFAOYSA-N 287.356 1.921 0 50 CDAA Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(-c2ccn[nH]2)c1 32603575 AYOQWNPXBKYSFH-UHFFFAOYSA-N 268.276 1.429 0 50 CDAA Cn1cnnc1[C@@H]1CN(Cc2ccsc2)CCO1 328631910 KYBNDKZTLZZLMS-NSHDSACASA-N 264.354 1.450 0 50 CDAA Cn1nncc1C(=O)N1CC[C@H]1Cc1ccccc1 328635504 CBKZENKBDOTPMT-LBPRGKRZSA-N 256.309 1.272 0 50 CDAA CCCC[C@@H](NC(=O)c1ccnc(F)c1F)C(=O)O 232979059 RMVYJGPTSMNYRC-MRVPVSSYSA-N 272.251 1.733 0 50 CDAA COc1ccc(-c2noc(C3(OC)CCOCC3)n2)cn1 331677048 OZCSWVJSOVSHBO-UHFFFAOYSA-N 291.307 1.792 0 50 CDAA C[C@@](O)(CC(=O)N1CCC(c2cn[nH]c2)CC1)C1CC1 360456736 YNZHZGILIOZPLJ-OAHLLOKOSA-N 277.368 1.667 0 50 CDAA Cc1nn(C)c2ncc(CN3CCO[C@H](C(=N)O)C3)cc12 332582334 JMKGVRJHVZDKEA-LBPRGKRZSA-N 289.339 1.013 0 50 CDAA O=S(=O)(CC1CC1)N1CCOC[C@@H](C2CCC2)C1 366215191 BOOVVLMATBWNJA-ZDUSSCGKSA-N 273.398 1.475 0 50 CDAA O=C(NCc1cccnc1)[C@@]1(O)CCc2ccccc2C1 367352552 FHZXCHLUAFLZNY-QGZVFWFLSA-N 282.343 1.618 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1 236762393 XVADSKMPCHBVQB-JTQLQIEISA-N 279.340 1.575 0 50 CDAA CC1(C)CCC[C@@H](CNS(=O)(=O)C2COC2)C1 333108805 RPXDASFDNKVNBB-SNVBAGLBSA-N 261.387 1.521 0 50 CDAA CCOc1cc(/C=C/C(=O)N2CC[C@@H](N)C2)ccc1OC 236873570 GSEIHNWMSZNIHE-VUDGCMKMSA-N 290.363 1.667 0 50 CDAA CCOc1ccc(C(=O)N2CC[C@](C)(C(=O)O)C2)cn1 236902931 GJKUFSZABJJCMU-AWEZNQCLSA-N 278.308 1.417 0 50 CDAA O=C(c1ccsn1)N1CCC(Cc2ncc[nH]2)CC1 333495324 RMJUXUIKQAITCL-UHFFFAOYSA-N 276.365 1.961 0 50 CDAA O=S(=O)(Cc1noc([C@H]2C[C@H]3C=C[C@H]2C3)n1)NC1CC1 333671013 NBGDPFOGKPJABY-QXEWZRGKSA-N 295.364 1.331 0 50 CDAA COc1cc(C2(C(=O)N(C)CCC(=O)O)CC2)ccc1C 237306077 SNOVJUHIYFCZKW-UHFFFAOYSA-N 291.347 1.968 0 50 CDAA C[C@]1(NC(=O)c2cccn2C2CC2)CCS(=O)(=O)C1 180186740 RKJJDIXBTUIDME-ZDUSSCGKSA-N 282.365 1.130 0 50 CDAA CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1CSCN1 157551713 WCCUIYWMJOKCSA-LBPRGKRZSA-N 286.347 1.976 0 50 CDAA CN(C(=O)[C@@]12CCCC[C@H]1CNC2)c1ccn(C)n1 335037438 HKZDYBAYIDBHQB-SMDDNHRTSA-N 262.357 1.163 0 50 CDAA CNC(=O)c1cccnc1N1CC[C@@H](O)CC(C)(C)C1 450857672 RMDVXYFHOQFHFQ-LLVKDONJSA-N 277.368 1.429 0 50 CDAA Brc1cnccc1N1CC[C@@H]2CNC[C@@H]21 335308100 FFGDVYFHUJTZPO-KCJUWKMLSA-N 268.158 1.642 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)c1ccn(C)n1 335489156 WSYJUULYWPMKPC-AAEUAGOBSA-N 265.357 1.834 0 50 CDAA C[C@@H](Cc1cccnc1)n1cnc2cn(C)nc2c1=O 72154288 VVEQYLYCNZAZPX-JTQLQIEISA-N 269.308 1.329 0 50 CDAA C[C@H]1OCCN(Cc2ccccc2Cl)[C@@H]1C(N)=O 284623217 NEDIHEORERVHCB-SKDRFNHKSA-N 268.744 1.415 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1Nc1ncc(F)c(N(C)C)n1 222268061 YASQVSBDHJFQIA-SPFNVWMYSA-N 296.346 1.144 0 50 CDAA CCO[C@@H](CC)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 531743342 YZWRSTWMYXKMJH-MNOVXSKESA-N 269.341 1.515 0 50 CDAA Cc1nc(CN2CCN(Cc3cncn3C)CC2)oc1C 177046235 SWSZRLAFIAOXHI-UHFFFAOYSA-N 289.383 1.343 0 50 CDAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)NCc1ccoc1 426550093 VWALBQBECVAOFT-CYBMUJFWSA-N 288.351 1.260 0 50 CDAA Cc1nnc(C(=O)N2CCC(n3cncc3C)CC2)s1 613609103 LWMHNFYNCQMAJI-UHFFFAOYSA-N 291.380 1.829 0 50 CDAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1c(C2CCC2)cnn1C 614456563 SPGWOQFAACIACH-CABZTGNLSA-N 290.367 1.085 0 50 CDAA CN(Cc1ccon1)c1cc([C@H]2CCOC2)ncn1 426674098 CTGQLVAEFFBLJJ-JTQLQIEISA-N 260.297 1.605 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ncncc2Cl)[C@@H]1CN 179222200 MFVATGFOGLJSML-PSASIEDQSA-N 268.748 1.329 0 50 CDAA CO[C@H](C)c1cccc(-c2nc(C(=O)N(C)C)n[nH]2)c1 426512169 NWRQYJDKPGHQKJ-SECBINFHSA-N 274.324 1.881 0 50 CDAA CCn1c(C)nnc1SCCNC(=O)[C@H]1CCCCO1 97813761 TZPPFDDHXZBLGP-LLVKDONJSA-N 298.412 1.384 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)[C@@H](C)N1CCCCC1 426511560 DSVJDOGBGVKJTC-CQSZACIVSA-N 290.411 1.214 0 50 CDAA CCCC[C@@H](Sc1nnc(CN)n1C)C(=O)OC 426599475 DHSWAXVCQADYNG-MRVPVSSYSA-N 272.374 1.098 0 50 CDAA C[C@H](NC(=O)c1c[nH]nc1C1CCCCC1)c1nnn[nH]1 91624796 LYZCNBKIQYDQHT-QMMMGPOBSA-N 289.343 1.462 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)CCC(=O)O 238086947 YMOLKFGRFGSKDB-VIFPVBQESA-N 271.313 1.820 0 50 CDAA O=C(O)C[C@H]1COCCN1Cc1ccc(Cl)o1 97743249 MGHDYSHJWCLKCV-QMMMGPOBSA-N 259.689 1.609 0 50 CDAA CN(CC1(CO)CCC1)c1nnc(C(C)(C)C)o1 95381354 ZMCJONLGIHBGMR-UHFFFAOYSA-N 253.346 1.966 0 50 CDAA COCC[C@@]1(CO)CCCN(c2ncccn2)C1 91603717 OFYMMFUASREISU-ZDUSSCGKSA-N 251.330 1.092 0 50 CDAA CN(CC(=O)O)C(=O)[C@H]1CCCN1Cc1ccccc1 237154137 OJFHFOHUHQUAIO-CYBMUJFWSA-N 276.336 1.194 0 50 CDAA CS(=O)(=O)c1ccc(CCn2ccnc2)cc1 91964749 ASXVJBRRSYICSV-UHFFFAOYSA-N 250.323 1.529 0 50 CDAA Cc1nc(Cc2ccccc2Cl)n(CC(=O)O)n1 96151727 FZAJQUVAYFGPQB-UHFFFAOYSA-N 265.700 1.915 0 50 CDAA CN(CCn1ccnc1)[C@@H](/C=C/C(C)(C)C)C(=O)O 95391138 WBJANNCWGBHZIL-FYJFLYSWSA-N 265.357 1.870 0 50 CDAA C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C(=O)N1c1ccccc1 245287268 BSPXLJKFVLUUIC-MRVWCRGKSA-N 288.347 1.476 0 50 CDAA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C=C[C@H]2O1 247756686 WXNXDJZLDYGMOY-DDHJBXDOSA-N 275.691 1.783 0 50 CDAA CCCN(Cc1ccsc1)Cc1nc(C(=O)NC)no1 244723554 MDPWNCLAZBVJAC-UHFFFAOYSA-N 294.380 1.903 0 50 CDAA CCC[C@H](C(=O)O)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 244866654 WAAOZUKSSBUQBO-OPRDCNLKSA-N 285.727 1.757 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cn2cccnc2n1 299751190 PVBWNBKHXIQZNQ-ZYHUDNBSSA-N 273.340 1.071 0 50 CDAA O=C(NC[C@]1(O)CCCCNC1)OCc1ccccc1 261508383 RVYVRFJILMLBKA-HNNXBMFYSA-N 278.352 1.417 0 50 CDAA CCc1nc(NCC[C@@H](C)N2CCN(C)CC2)no1 534647866 HIODIWSBSZIALT-LLVKDONJSA-N 267.377 1.070 0 50 CDAA CCn1ncnc1CNCCc1cnn(-c2ccccc2)c1 638346436 CADUDXZULCEXPP-UHFFFAOYSA-N 296.378 1.816 0 50 CDAA Cc1ncc2c(c1CNC(=O)c1ccco1)CCNC2 299773828 GAGAKDQZESBCEN-UHFFFAOYSA-N 271.320 1.559 0 50 CDAA CN(C)CC[C@H](NC(=O)c1cncn1C)c1ccccc1 299790884 CQDNIZAYUYNRPA-AWEZNQCLSA-N 286.379 1.843 0 50 CDAA O=C(C[C@H]1CCNC1)N1CC(Oc2cccc(Cl)c2)C1 299773187 CZBZVDMPCZRUJF-LLVKDONJSA-N 294.782 1.929 0 50 CDAA C[C@H]1CNS(=O)(=O)c2ccc(Br)cc2C1 396137336 CFYOXXKKOXBTBT-SSDOTTSWSA-N 290.182 1.920 0 50 CDAA COc1ccnc(NCCCn2ccccc2=O)n1 824836065 ZUFDJBXGZQWNTL-UHFFFAOYSA-N 260.297 1.149 0 50 CDAA COC(=O)NS(=O)(=O)Nc1ccc(Cl)cc1 824159282 KISYKOQZCIOANE-UHFFFAOYSA-N 264.690 1.353 0 50 CDAA CS[C@H](C)C(=O)N(C)CCCCN1CCOCC1 584900278 ZOKVVQHFASAETE-GFCCVEGCSA-N 274.430 1.309 0 50 CDAA CC(C)(CC(N)=O)NC(=O)Nc1cccc2c1CCO2 585136115 QWHFNXWFTVFTHW-UHFFFAOYSA-N 277.324 1.397 0 50 CDAA O=c1c2cccc(F)c2ncn1CCc1cnc[nH]1 584894837 JFNDQODLAVTDBY-UHFFFAOYSA-N 258.256 1.501 0 50 CDAA Cc1nc[nH]c1C(=O)NCc1ccc2nsnc2c1 670461233 KMAXKFAECFLQJU-UHFFFAOYSA-N 273.321 1.653 0 50 CDAA CO[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CCCCN1C(C)=O 685939773 NKKXUCBEFZXQNQ-SOUVJXGZSA-N 296.411 1.851 0 50 CDAA C[C@@H](NC(=O)c1cccn1C)c1nc(C(F)(F)F)n[nH]1 1363003343 PCCDOJOTQYRBON-ZCFIWIBFSA-N 287.245 1.653 0 50 CDAA CC(C)(C)OC(=O)N1CCC(N2C[C@](C)(CN)C2=O)CC1 1536220457 OZBXZYNXSCQVJW-HNNXBMFYSA-N 297.399 1.193 0 50 CDAA CCc1cn(Cc2cccc(S(C)(=O)=O)c2)cn1 1459259443 IDYSTWHYEYCSFX-UHFFFAOYSA-N 264.350 1.897 0 50 CDAA Cc1ncc(C(=O)N(Cc2cnn(C)c2)C2CC2)cn1 952868648 FUKKTTNRDAJXJX-UHFFFAOYSA-N 271.324 1.323 0 50 CDAA CNC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 269172518 JUTKEDZZCQGLRF-TUKIKUTGSA-N 276.355 1.997 0 50 CDAA COC(=O)c1cc2[nH]nc(Br)c2cn1 80443075 XZSUDVUYGWWCGL-UHFFFAOYSA-N 256.059 1.507 0 50 CDAA in-vitro O=C(CN1CCN(c2ccc(F)cc2)CC1)NC1CC1 55060373 LISMDMNGZPYUNB-UHFFFAOYSA-N 277.343 1.226 0 50 CDAA CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](CO)C1 91303708 IAKIPYUZTQEURV-JTQLQIEISA-N 267.329 1.242 0 50 CDAA in-vitro Cc1nc([C@H]2CCCN2C(=O)CS(C)(=O)=O)cs1 275072247 KTTPBPDSIHONME-SNVBAGLBSA-N 288.394 1.160 0 50 CDAA CNC(=O)[C@H]1CN(CCCCc2ccccc2)CCO1 187468106 UBIDDPVBQMEOAG-OAHLLOKOSA-N 276.380 1.456 0 50 CDAA CC(C)C(=O)N1CC[C@H](N[C@H]2CCCSC2)C1 170074620 KEDGNJXMMSRNBD-RYUDHWBXSA-N 256.415 1.729 0 50 CDAA Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cc(C)n(C)n1)CC2 407968000 RWMWDDMQRWUJMA-PWSUYJOCSA-N 274.372 1.294 0 50 CDAA CC(C)(CNC(=O)N1CC[C@@H](CO)C1)N1CCCCC1 304277054 JNAGZUUOHGPENA-CYBMUJFWSA-N 283.416 1.275 0 50 CDAA CC(C)(C)SCCNC(=O)NC[C@@H]1CC[C@H](O)C1 170608198 GZMHPSWAGSMMNC-MNOVXSKESA-N 274.430 1.978 0 50 CDAA O=C(Cc1ccccc1)NCCC(=O)N[C@@H]1CCCOC1 170621949 BBPZFTKTLCBNGC-CQSZACIVSA-N 290.363 1.031 0 50 CDAA Cn1nnnc1-c1ccccc1NC(=O)C[C@H]1CCCO1 637774239 XNIRVWSSVSZDDZ-SNVBAGLBSA-N 287.323 1.385 0 50 CDAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccc[nH]1 189653551 PMIXWJUVKCYOJT-KIUWMYQTSA-N 295.342 1.467 0 50 CDAA Cc1nnc(COC2CN(C[C@@H]3CC=CCC3)C2)o1 643832573 IUPXCNWGXRSQHT-GFCCVEGCSA-N 263.341 1.935 0 50 CDAA O=c1n(C[C@H](O)CC2CCCC2)nnn1-c1ccccc1 191286249 QFXPNMZBLALETE-CQSZACIVSA-N 288.351 1.370 0 50 CDAA CCc1nc(C2CCN(C(=O)c3cscn3)CC2)n[nH]1 191499141 XPOAFAPZIXBFST-UHFFFAOYSA-N 291.380 1.843 0 50 CDAA C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1CO 191811555 INMZMRQVIUNNLE-ZJUUUORDSA-N 265.357 1.408 0 50 CDAA CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1)C(=O)OC 192848507 OQQVBENRWQHUKW-JQWIXIFHSA-N 264.325 1.555 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCNC[C@@H]2C)c1F 193247942 DKJNPCUCLDCFEU-JTQLQIEISA-N 272.345 1.117 0 50 CDAA O=C(Cc1ccc2c(c1)CCC2)N[C@H]1CCO[C@H]1C(=O)O 659171434 NQYYZJUCVPGXCO-DZGCQCFKSA-N 289.331 1.076 0 50 CDAA Cn1cnc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c1 660642128 NMJAGGZGURCXFN-INIZCTEOSA-N 298.390 1.353 0 50 CDAA O=C(c1ccncc1)c1ncn(CCO[C@H]2CC2(F)F)n1 664113937 LUMYGZPVRVZPMQ-JTQLQIEISA-N 294.261 1.328 0 50 CDAA Cc1ccc(-c2noc(CCS(C)(=O)=O)n2)cc1 585133637 OGCCKQUZZRNTLI-UHFFFAOYSA-N 266.322 1.632 0 50 CDAA Cc1ncn(CCNc2nc(C(=O)O)co2)c1C 1506395453 IPWBZOUKXPRQFQ-UHFFFAOYSA-N 250.258 1.298 0 50 CDAA N[C@H]1CC12CC(NC(=O)c1cccc3c1COCC3)C2 1615546243 NGSWTFBSKVLLEH-WMEQCIOUSA-N 272.348 1.369 0 50 CDAA CC(C)c1oncc1NC(=O)CS(=O)(=O)C(C)(C)C 1615547401 IBYVNWRBHWPNJT-UHFFFAOYSA-N 288.369 1.950 0 50 CDAA O=C(O)c1n[nH]c2c1CN(C[C@@H]1CCCCO1)CC2 1602567862 WWPNBISTZGZWIC-VIFPVBQESA-N 265.313 1.035 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3cccnc3)C[C@@H]2O)n[nH]1 1529139290 OPZVNUSOHIPJAL-HIFRSBDPSA-N 272.352 1.149 0 50 CDAA NC(=O)c1ccc(C(=O)N2CCC[C@@H](C(F)F)C2)[nH]1 1857527383 AFDUTPYDOJIIKZ-SSDOTTSWSA-N 271.267 1.231 0 50 CDAA Cc1cccnc1C(=O)N1CCCN(Cc2ncc[nH]2)CC1 1529169432 YWRQVDKDTSXUNH-UHFFFAOYSA-N 299.378 1.461 0 50 CDAA CCc1noc(NC(=O)CN(C)CCOC)c1C 1529160162 YPVDGZWPRUIBRD-UHFFFAOYSA-N 255.318 1.062 0 50 CDAA OCCN1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1529103923 IGWGUZOGSVTMHV-CZUORRHYSA-N 272.348 1.062 0 50 CDAA COC(=O)c1cc(I)ccc1N 381866 NNXVARLKWUFGGG-UHFFFAOYSA-N 277.061 1.660 0 50 CDAA in-vitro Cn1cnc(CNC(=O)C2CCC(F)(F)CC2)n1 408068664 XMFQKDXGOJQOMP-UHFFFAOYSA-N 258.272 1.257 0 50 CDAA CCC[C@]1(C(=O)O)CCN(Cc2cncs2)C[C@H]1O 1704311281 CNESUAKGEQWLFU-YPMHNXCESA-N 284.381 1.581 0 50 CDAA O=S(=O)(c1ccsc1)N1CC2(CCOCC2)C1 336316271 GVNLOEIZDOAIID-UHFFFAOYSA-N 273.379 1.549 0 50 CDAA CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@H]1O 143139611 MUPAPEDKCKNYLY-UONOGXRCSA-N 263.337 1.433 0 50 CDAA in-vitro C[C@@H]1CNCCN1C(=O)COc1ccc(F)c(Cl)c1 124784817 ZKHKJUVPRWJLPQ-SECBINFHSA-N 286.734 1.678 0 50 CDAA CCCc1cc(N2CCC([C@H](O)CO)CC2)nc(C)n1 1772816238 LGJJRDDHIHZZIG-CQSZACIVSA-N 279.384 1.307 0 50 CDAA Fc1ccc2c(c1)CCc1nnc([C@@H]3CCCN3)n1-2 1772808792 BHJDKPYUZXKLTD-NSHDSACASA-N 258.300 1.930 0 50 CDAA O=C1C[C@H](NC[C@@H]2CCCO2)C(=O)N1c1ccc(F)cc1 19720183 JWUKCIQEXQYHGG-STQMWFEESA-N 292.310 1.226 0 50 CDAA O=C1C[C@H]2CN(c3noc(-c4ccccc4)n3)C[C@H]2N1 1857705586 NMGSHLDCIBJGMA-WDEREUQCSA-N 270.292 1.061 0 50 CDAA Nc1cncc(N2CCC[C@H](Cn3ccnc3)C2)n1 1857679388 JVYFHIQIWIGKAY-LLVKDONJSA-N 258.329 1.172 0 50 CDAA CN(C)c1ncnc2c1ncn2Cc1nccs1 162972166 DCJGXAVWKJGIRL-UHFFFAOYSA-N 260.326 1.397 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(-c3cccn3C)n2C1 601045838 YUJXALFXQCMLQW-SECBINFHSA-N 260.297 1.019 0 50 CDAA O=C(O)c1ccc(Nc2ncnc3[nH]ncc23)cc1 1294419 RGQWLMOJLVOQPG-UHFFFAOYSA-N 255.237 1.795 0 50 CDAA biogenic CCSCCCNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 252481780 CRUSQCAAYOTZAK-QJPTWQEYSA-N 299.440 1.438 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)NC[C@H](N)c2ccccc2)C1 262569276 GBDOBAJGPYINKA-MJBXVCDLSA-N 261.369 1.320 0 50 CDAA CC[C@@](CNC(=O)[C@@H]1CCOC1)(C(=O)O)c1ccccc1 262928950 GEWYMXHUPMHUKV-WBMJQRKESA-N 291.347 1.572 0 50 CDAA C[C@H](C(=O)O)[C@@H](C)NC(=O)c1cc(C(C)(C)C)on1 263420774 IUCXMJOLINPBAZ-JGVFFNPUSA-N 268.313 1.811 0 50 CDAA C[C@H](CN(C)c1ccnc(N2CCCCC2)n1)C(=O)O 263558420 PRDIAALJGSGSKZ-LLVKDONJSA-N 278.356 1.624 0 50 CDAA C[C@H](NC(=O)c1ccc(O)cc1F)[C@@H]1CCOC1 164085733 YZNMOMNIQPTZJC-DTWKUNHWSA-N 253.273 1.686 0 50 CDAA CCNC(=O)[C@]1(C)CCCN1C(=O)c1ccc(OC)cc1 1857603593 RZBYUWZXMCOPHH-INIZCTEOSA-N 290.363 1.826 0 50 CDAA CC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccccc1C(C)C 1143024932 UUWUFBQJRPIBPT-DOMZBBRYSA-N 290.363 1.730 0 50 CDAA O=C(C=C1CCC1)NC[C@@H](C(=O)O)C1CCOCC1 864145559 OKZBGZJPIJZBQU-GFCCVEGCSA-N 267.325 1.340 0 50 CDAA Cc1nc(NCCc2nncs2)c2cc[nH]c2n1 1161727563 BERUSWHBOATKHV-UHFFFAOYSA-N 260.326 1.772 0 50 CDAA Cc1cnc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)nc1 952890767 ZKLXVOINXYCTOO-UWVGGRQHSA-N 260.301 1.093 0 50 CDAA COc1ccc(-c2noc(=N[C@H]3C[C@](F)(CN)C3)[nH]2)cc1 1875299055 XBHZYTONMUDVSH-WJONMLJTSA-N 292.314 1.408 0 50 CDAA C[C@@H]1NC(=O)[C@@H](C[C@@H]2CCCc3ccccc32)NC1=O 1875278810 IPRPQSUWYJQFLN-VHRBIJSZSA-N 272.348 1.500 0 50 CDAA Nc1ccc(S(N)(=O)=O)cc1[C@@]12CCC[C@@H]1C2 1875304122 AOXZBRQRSDNXHN-PRHODGIISA-N 252.339 1.358 0 50 CDAA Cc1nc2nc(C(C)C)cc(OCc3cnn(C)n3)n2n1 888095875 CXRJOPKXWPXQCR-UHFFFAOYSA-N 287.327 1.264 0 50 CDAA CCn1cc(NC(=O)C(CC)(CC)CN)ccc1=O 137756311 QKWMSNPYRVWEEQ-UHFFFAOYSA-N 265.357 1.572 0 50 CDAA O=C(O)[C@H]1CCCCN1Cc1cccc2c1OCCO2 158480977 QLTMEZXOQGMBLX-GFCCVEGCSA-N 277.320 1.897 0 50 CDAA C[C@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)[C@H](C)CO1 263301067 DEZBSDXULXQRQF-MNOVXSKESA-N 277.320 1.563 0 50 CDAA CC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCN1 67513755 RGMMHPBBTCHREQ-NSHDSACASA-N 262.309 1.239 0 50 CDAA Cn1nccc1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 408014663 YOAKDBKGYSGYPI-JTQLQIEISA-N 259.313 1.163 0 50 CDAA C[C@@H]1CCCN(CCN2C[C@@H]3CC[C@H](C2)O3)[C@H]1C(=O)O 333643175 XQCMDYYGUPVJHS-YIYPIFLZSA-N 282.384 1.035 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)c2c[nH]c(=N)s2)C1 584885681 HQVBOVYBFHJHMI-MRVPVSSYSA-N 269.370 1.179 0 50 CDAA CCOC(=O)Cc1csc(=NCCCOC(C)C)[nH]1 383271778 HTWCVOSPHXWTJK-UHFFFAOYSA-N 286.397 1.898 0 50 CDAA COC(=O)c1cc(OC)cc(C(=O)Nc2noc(C)n2)c1 2100473258 HUIVCJYQHMIEBW-UHFFFAOYSA-N 291.263 1.426 0 50 CDAA COc1cc2oc(=O)c3c(c2cc1OC)CCNC3 34508668 JGUIPANVMMLLSQ-UHFFFAOYSA-N 261.277 1.456 0 50 CDAA CN1CC[C@H]1CNC(=O)c1cc2c(F)ccc(F)c2[nH]1 2325763276 CRTWDMJXHHXSFD-QMMMGPOBSA-N 279.290 1.880 0 50 CDAA CO[C@@H](C(=O)O)C1CN(Cc2nn(C)c3ccccc23)C1 2325787625 LWRAXYDLIRFGNH-CQSZACIVSA-N 289.335 1.105 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CCc2onc(CO)c2C1 953123387 VDBNCVFOGYSBHN-QMMMGPOBSA-N 268.313 1.549 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(OC)c1 305456 SWMJGFSHOXGGGU-CYBMUJFWSA-N 290.319 1.838 0 50 CDAA O=S(=O)(Oc1cccc2cccnc12)N1CCOCC1 2203400 XJWJJLIQMQLCKW-UHFFFAOYSA-N 294.332 1.191 0 50 CDAA CCOC(=O)CCCNS(=O)(=O)c1ccc(C)cc1 3124800 LJZKFDVPMKFBAX-UHFFFAOYSA-N 285.365 1.617 0 50 CDAA O=C(NC[C@@H](O)c1cccc(O)n1)c1cc(C2CC2)no1 2356156665 MBEIQGCZCXQHHK-LLVKDONJSA-N 289.291 1.116 0 50 CDAA O=c1[nH]c(=S)[nH]cc1I 4676408 MYUHSNVSHMCUMD-UHFFFAOYSA-N 254.052 1.037 0 50 CDAA in-man CCCCCN1CCC[C@@H](Cn2cc(CO)nn2)C1 55108876 FCQCNIPHIDAIJP-CYBMUJFWSA-N 266.389 1.673 0 50 CDAA Cc1cccc(NC(=S)NN2CCN(C)CC2)c1C 8580082 RAENUTNLNRSMGM-UHFFFAOYSA-N 278.425 1.752 0 50 CDAA CCN1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 55378639 NRCKMILNOSXQBK-GQCTYLIASA-N 288.347 1.593 0 50 CDAA Nc1ccnc(CSCC(=O)Nc2ccccc2)n1 225690599 OPGMJWLQVLCBEH-UHFFFAOYSA-N 274.349 1.931 0 50 CDAA COC[C@H](NC[C@H](C)N1CCOCC1)c1ccccc1 225631954 BUSHXPYWBBGYTE-HOCLYGCPSA-N 278.396 1.684 0 50 CDAA CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)cc1 9329744 IDDFPOBXCGBFRV-GFCCVEGCSA-N 299.334 1.924 0 50 CDAA Cn1cccc1CNCCc1ccc(S(N)(=O)=O)cc1 20069307 LIGIAEHYPCRDOG-UHFFFAOYSA-N 293.392 1.005 0 50 CDAA CC(C)(O)[C@@H]1CCCN(C(=O)Nc2nncs2)C1 55382766 XIBPUZSNPKDLGV-MRVPVSSYSA-N 270.358 1.553 0 50 CDAA CC(C)CCNC(=O)N1CCN(c2ccncc2)CC1 54375216 PGHGGIJIDWHUDV-UHFFFAOYSA-N 276.384 1.959 0 50 CDAA CCSCCN1CC=C(c2cnn(CCO)c2)CC1 65388099 XFEMKNDPNXXPNO-UHFFFAOYSA-N 281.425 1.718 0 50 CDAA Cc1cc(=O)c(C(=O)NC[C@H]2CCN(CC(C)C)C2)c[nH]1 67946495 OXAOYBMWCRGANB-CYBMUJFWSA-N 291.395 1.391 0 50 CDAA Cc1nc(CC(=O)N2CCC3(CC2)CNC(=O)O3)cs1 65380394 HJROPFNWPAQWEO-UHFFFAOYSA-N 295.364 1.095 0 50 CDAA CCn1cc(-c2n[nH]c(=O)n2CCc2ccccc2)cn1 65530847 XYDDUDOOTWFMJL-UHFFFAOYSA-N 283.335 1.698 0 50 CDAA CNc1ccnc(N2CCC[C@@H](Cn3ccnc3)C2)n1 65505908 MLXZHABYIYWUJY-LBPRGKRZSA-N 272.356 1.631 0 50 CDAA C1=CC[C@H]([C@H]2OC[C@H](CN3CCOCC3)O2)CC1 20064792 AAPOJYKIJJMKDM-IHRRRGAJSA-N 253.342 1.416 0 50 CDAA Cc1cnc(N(C)CC2(CO)CCOCC2)nc1N(C)C 65383625 BHVXYNNSQVQYJO-UHFFFAOYSA-N 294.399 1.076 0 50 CDAA CC[C@H](C)n1nccc1NC(=O)c1c[nH]c(=O)cn1 65372486 AGVHHGNTNVNSEZ-QMMMGPOBSA-N 261.285 1.190 0 50 CDAA C[C@@]1(P(=O)(O)O)c2ccccc2O[P@]1(=O)O 22591123 QOJLTWOWHGWWQB-QMMMGPOBSA-N 264.110 1.615 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCCN(CC(C)C)C2)n[nH]1 67883777 WQGLZNBLIDAAAU-ZDUSSCGKSA-N 278.400 1.816 0 50 CDAA O=C(NCCC1=CCOCC1)c1cccnc1S 121830021 GHHYIHGGFIOTNK-UHFFFAOYSA-N 264.350 1.837 0 50 CDAA Cn1cc(S(=O)(=O)Nc2ccc(F)cc2F)cn1 1430104 DKHRDICLGVLROJ-UHFFFAOYSA-N 273.264 1.499 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(C)no1 328644398 ZHAJJMXUGIQZRG-JQWIXIFHSA-N 290.323 1.459 0 50 CDAA CCn1nccc1N1C(=O)C2(CCSCC2)N=C1O 329184167 PPXWAYJVGCJADI-UHFFFAOYSA-N 280.353 1.429 0 50 CDAA CC(C)Cn1ncnc1CS(=O)(=O)[C@H]1CCCOC1 329514934 DAGRLTWSXVFVIJ-NSHDSACASA-N 287.385 1.028 0 50 CDAA CCn1nc(CNC(=O)c2cnn[nH]2)c2ccccc21 72147458 VBOADUKBXAHEOO-UHFFFAOYSA-N 270.296 1.104 0 50 CDAA CC(C)(O)CCc1ccc(C(=O)N2CC[C@H](O)C2)cc1 72474927 DTOJCPXLBOIHPL-AWEZNQCLSA-N 277.364 1.597 0 50 CDAA CC(C)[C@H](N)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 236717507 PPSNRLPZCKLCTL-UWVGGRQHSA-N 281.322 1.065 0 50 CDAA CCOc1ccc(OCCCCNCCN)cc1 39960871 VFDRFEPWJXBCNM-UHFFFAOYSA-N 252.358 1.793 0 50 CDAA Cc1nc([C@H](C)NC(=O)COc2ccc(F)cc2)n[nH]1 71315077 VSODHRJECJTRHF-QMMMGPOBSA-N 278.287 1.508 0 50 CDAA CC[C@H](C(=O)Nc1c2c(nn1C)CCC2)N1CCCC1=O 333145251 LREUVGYRQLYVHB-GFCCVEGCSA-N 290.367 1.248 0 50 CDAA COc1ccnc(CNC(=O)Cc2ccccn2)c1 215551477 BTFNRFSTOIIJNX-UHFFFAOYSA-N 257.293 1.344 0 50 CDAA CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(CN)cc1 156058189 OUVCYBBURJKVQD-WDEREUQCSA-N 277.368 1.178 0 50 CDAA C[C@@H](CCc1ccccc1)NC(=O)CCS(C)(=O)=O 79120921 TZRPIAKLAOGRSM-LBPRGKRZSA-N 283.393 1.559 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1cc2ccccc2nc1O 334231859 VCPOPDYCPRNRHG-STQMWFEESA-N 276.311 1.845 0 50 CDAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(C)C[C@H]1C 412098018 WOKZAHMYMUQXGK-VHDGCEQUSA-N 288.391 1.961 0 50 CDAA CC(=O)c1cc(CN2Cc3cnn(CCO)c3C2)cs1 214965864 CFKYLWCODLULGA-UHFFFAOYSA-N 291.376 1.655 0 50 CDAA CC(C)N(CC(=O)O)C(=O)Cn1ncc2ccccc21 262503022 YVARAWQDCGYCAK-UHFFFAOYSA-N 275.308 1.358 0 50 CDAA CCN(CCC(=O)O)C(=O)[C@H](C)NC(=O)C1CCCC1 262597360 JCZXAGGMPZUHHF-JTQLQIEISA-N 284.356 1.005 0 50 CDAA Cc1nc([C@H]2CCCN(Cc3coc(C)n3)C2)cc(=O)[nH]1 72170540 NARFLEDQIMFXNX-LBPRGKRZSA-N 288.351 1.754 0 50 CDAA CN1Cc2ccccc2[C@@H](NC(=O)c2ccnn2C)C1 378275504 HMQQRNSFTJOIAX-ZDUSSCGKSA-N 270.336 1.337 0 50 CDAA Cc1ccc(O)c(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)n1 284783921 YLEVMDNTOALYBJ-BPLDGKMQSA-N 292.379 1.457 0 50 CDAA O=C(Nc1nnc[nH]1)c1ccn(-c2c(F)cccc2F)n1 176051987 MLWJNKOKQZCQFM-UHFFFAOYSA-N 290.233 1.521 0 50 CDAA CC(C)(C)c1cc(C(=O)N2CCOC[C@H]2CC(=O)O)no1 263331846 VEUUQCMLKFDQPW-SECBINFHSA-N 296.323 1.288 0 50 CDAA CCN(Cc1noc(C)n1)C(=O)[C@@H](C)n1ccnc1 426595094 VFNPJYTYNPYRHU-SECBINFHSA-N 263.301 1.184 0 50 CDAA Nc1nccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)n1 223513241 ZLEZYPVAVLQLIM-LLVKDONJSA-N 268.320 1.654 0 50 CDAA C[C@]1(C(=O)N2CCC(O)(c3ccccn3)CC2)CCCO1 426431800 KBNJZFSAWYFKRM-OAHLLOKOSA-N 290.363 1.461 0 50 CDAA O=C(NCc1cccnc1)NC1CCN(CC2CC2)CC1 193596988 XYXLCBAWZFZKLH-UHFFFAOYSA-N 288.395 1.755 0 50 CDAA COC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)OC 95802906 BYQBEGZQQCTMFD-GXSJLCMTSA-N 251.282 1.893 0 50 CDAA CC[C@H](c1ccccn1)N(C)C(=O)Cn1ccccc1=O 97468079 FRKUFDHGMCPRPI-CQSZACIVSA-N 285.347 1.853 0 50 CDAA O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccc(Cl)cc1 95496402 VUUYIVFBZHZPAH-LBPRGKRZSA-N 294.738 1.304 0 50 CDAA COCC1(C(=O)N(C)CCn2cccn2)CCC1 97528885 UQMHYXVHZAVADU-UHFFFAOYSA-N 251.330 1.158 0 50 CDAA CC[C@H]1CC[C@@H](C(=O)Nc2c[nH]c(C(N)=O)c2)O1 268068361 CYTAPLCOSCMEBG-WPRPVWTQSA-N 251.286 1.010 0 50 CDAA C[C@H](C1CC1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 245377214 IXEWOZHONCDYRJ-XTAFZBPGSA-N 257.333 1.982 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)CCCn1cccn1)C1CC1 244605557 FAUBERYNZKZZRE-AWEZNQCLSA-N 287.367 1.664 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@H](c1nccn1C)C1CC1 341700686 JASMBXLGZYNILY-LBPRGKRZSA-N 258.325 1.938 0 50 CDAA Cc1ncccc1CNC(=O)N=c1[nH]n(C)cc1C 626617823 YVGALBSZUKCYCD-UHFFFAOYSA-N 259.313 1.176 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2)nc1 299741260 DEJIUXSOSGMVTB-ZDUSSCGKSA-N 297.314 1.833 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCCOc1ccc(F)c(F)c1 299753540 YNAHQJNUEAROGL-BDAKNGLRSA-N 285.246 1.181 0 50 CDAA CCOC(=O)C1(C(=O)OCC)CCC2(C1)OCCO2 143767645 RGQRGGZVSYWTAW-UHFFFAOYSA-N 272.297 1.026 0 50 CDAA COC[C@]1(C)CN([C@@H](C(=O)O)c2ccccc2F)CCO1 629379994 UUBPKKWCMFJTHI-HIFRSBDPSA-N 297.326 1.689 0 50 CDAA CN1CCN(CC(=O)NCCCOC2CCCCC2)C1=O 534672297 OTNHAUYEWGBRQO-UHFFFAOYSA-N 297.399 1.209 0 50 CDAA N=c1[nH]cc(C(=O)N2CCCC3(CCNCC3)CC2)s1 534656061 LZRZTGCBSUSSPV-UHFFFAOYSA-N 294.424 1.552 0 50 CDAA Cc1ccc(-c2cc3n(n2)[C@H](NC2CC2)CNC3=O)cc1 263619224 XNKQXAATNIVPCG-HNNXBMFYSA-N 282.347 1.853 0 50 CDAA Cn1ncc(N2C[C@@H]3[C@@H](C2)C3(C)C)c(Cl)c1=O 266270558 RBBLUNMRPWYADO-HTQZYQBOSA-N 253.733 1.526 0 50 CDAA O=C(Nc1cccc2c1CCC2)N1CCS(=O)(=O)CC1 299784097 HSKSBGYSXIBPMB-UHFFFAOYSA-N 294.376 1.438 0 50 CDAA Cc1ccccc1N1CC[C@H](CNC(=O)NCC(=O)O)C1 828018530 HMMRFTFOUSAEDB-GFCCVEGCSA-N 291.351 1.205 0 50 CDAA CC(C)N1CCC(CNC(=O)C[C@@H]2CCOC2)CC1 584890218 OYASTOAQHHUPCA-AWEZNQCLSA-N 268.401 1.650 0 50 CDAA C[C@H]1CN(C(=O)CCCN2CCCC2)CCN1C 823795803 WMZFMNRDVLKEMA-ZDUSSCGKSA-N 253.390 1.025 0 50 CDAA CC[C@@H](C(=O)NCCN1CCCCC1)N(C)CC 822555076 JIBHGDVYFVSPNW-ZDUSSCGKSA-N 255.406 1.319 0 50 CDAA COCCn1cncc1CN[C@H](C)CC(F)(F)F 584893588 SPPUBTBUSUGUHN-SECBINFHSA-N 265.279 1.960 0 50 CDAA CCc1nccn1C[C@@H](C)N1CCc2nocc2C1 670446635 OUXWIGKWWMXIKX-LLVKDONJSA-N 260.341 1.880 0 50 CDAA COCCN1CC[C@H](CN(C)Cc2ccc(OC)nc2)C1 670473516 MIDMJMILMDAHFZ-OAHLLOKOSA-N 293.411 1.490 0 50 CDAA C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)O)C2 1535648131 KWJWZGQVBNAPLC-LHKGTJRUSA-N 271.313 1.533 0 50 CDAA Cc1cccc2nc(N3CC[C@@](O)(CN(C)C)C3)oc12 1548452856 AFBOGPXCKRLQPS-OAHLLOKOSA-N 275.352 1.639 0 50 CDAA c1cn2cnnc2c(N2CC[C@H](n3cc(C4CC4)nn3)C2)n1 1548475986 OKUNERCBVUDSRG-NSHDSACASA-N 296.338 1.045 0 50 CDAA NC[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)C1 165340054 BEOWVQNBDSUXRG-QMMMGPOBSA-N 256.708 1.900 0 50 CDAA CCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cc(C)n[nH]2)cn1 275655090 UOSNSTKTCDUGNL-WCQYABFASA-N 289.339 1.651 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCC(=O)NC2)CC1 91303649 RVORUJPDSDOBTI-UHFFFAOYSA-N 268.357 1.914 0 50 CDAA in-vitro Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCNC3)cn2)n1 170599546 OWAFNXHRXCSLCI-CYBMUJFWSA-N 299.378 1.822 0 50 CDAA CCc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 170594091 RQNQSKXCEQIBAP-ZDUSSCGKSA-N 281.377 1.508 0 50 CDAA Cc1cc(NC(=O)c2c(O)cccc2F)c[nH]c1=O 170599346 PCHZJZLYMUYIHJ-UHFFFAOYSA-N 262.240 1.780 0 50 CDAA COc1ccc(CN2CCCC[C@H]2c2n[nH]c(C)n2)nn1 408473362 YAQMIZWJNYVFDN-LBPRGKRZSA-N 288.355 1.639 0 50 CDAA CCC1(N2CCOCC2)CCN([C@@H](C(=O)O)C2CC2)CC1 635019021 SFBMPCXATODSJF-CQSZACIVSA-N 296.411 1.426 0 50 CDAA NS(=O)(=O)CCCN1CC[C@H]1c1ccc(Cl)cc1 552138317 BHOAVJKABGBIKM-LBPRGKRZSA-N 288.800 1.765 0 50 CDAA COc1ccc(CC(=O)N2CCN[C@H](C)C2)cc1F 188449663 YUFKVYVSMPBYHZ-SNVBAGLBSA-N 266.316 1.197 0 50 CDAA CC[C@H](C(=O)NC1(C(N)=O)CC1)c1ccc(OC)cc1 192523510 LSXDISOMMSGMQC-LBPRGKRZSA-N 276.336 1.323 0 50 CDAA CCn1ccnc1CN(CC(=O)O)Cc1ccccc1 563282023 LRFDPBNSRMAOQN-UHFFFAOYSA-N 273.336 1.990 0 50 CDAA C[C@@H](CNC(=O)c1ccc(C(=O)O)nc1)Cn1ccnc1 653301057 LDUGOMKGJYDXNY-JTQLQIEISA-N 288.307 1.042 0 50 CDAA CCn1nncc1CN=c1[nH]nc(-c2ccccn2)s1 568607271 HAAHKFRLGUOJRI-UHFFFAOYSA-N 287.352 1.246 0 50 CDAA Cc1n[nH]cc1C1CCN(C(=O)Cc2ccnn2C)CC1 574625491 JHUASTXUCQLBQR-UHFFFAOYSA-N 287.367 1.400 0 50 CDAA CCc1cc(=N)[nH]c(SC[C@@H]2CCCN(C)C2=O)n1 576122673 IWVVMLIPVRNYDS-VIFPVBQESA-N 280.397 1.412 0 50 CDAA CC(C)COCCN1CC[C@](O)(c2cn(C(C)C)nn2)C1 583614631 AEPGHUZTHQPLMU-OAHLLOKOSA-N 296.415 1.425 0 50 CDAA CS(=O)(=O)N1CC(CSc2cccc(O)c2)C1 585118840 DVWCKNGJVDOQMR-UHFFFAOYSA-N 273.379 1.376 0 50 CDAA CCc1ccccc1NC(=O)Cn1ccnc(C)c1=O 585123112 VVSFXVJLKWPYRN-UHFFFAOYSA-N 271.320 1.753 0 50 CDAA Cn1nc(C2CC2)nc1CN[C@@]12CCC[C@@H]1NCC2 1615058615 PCTZHLJHBXTYKX-SMDDNHRTSA-N 261.373 1.067 0 50 CDAA CCC1(CNC(=O)CNc2ncnc(Cl)c2N)CCC1 1615551237 RJUNFGADZRQWFV-UHFFFAOYSA-N 297.790 1.821 0 50 CDAA CC[C@H](O)C(F)(F)C(=O)NCc1ccc(O)c(OC)c1 1615586899 RQBWKHPFQFELBD-NSHDSACASA-N 289.278 1.423 0 50 CDAA CN(C)c1ccnc(CNC(=O)[C@H]2C[C@@H]3[C@@H](N)C[C@H]3C2)c1 1615546187 KLWOFPMLPPYFOR-FIXIBIHLSA-N 288.395 1.137 0 50 CDAA Cn1ccnc1NC(=O)CN1C[C@@H](c2ccccc2)CC1=O 1180301774 CYFWUKVVUMLZCN-ZDUSSCGKSA-N 298.346 1.375 0 50 CDAA COC(=O)c1cn2nc(-c3ccccc3)nc2nc1C 1267971640 CSBNEEFBQRTLKS-UHFFFAOYSA-N 268.276 1.886 0 50 CDAA O=C(O)c1cccc(CCNC(=O)C2CCOCC2)c1 111403681 TTYUYXMZHKNUED-UHFFFAOYSA-N 277.320 1.470 0 50 CDAA CN(CCS(C)(=O)=O)Cc1cc2cc(F)ccc2[nH]1 1529179767 DONAYQHNJKZWQU-UHFFFAOYSA-N 284.356 1.783 0 50 CDAA Cc1cc(C)n(CCCN(C)c2cncc(N)n2)n1 1857670291 FZTQSPJMFSBYGE-UHFFFAOYSA-N 260.345 1.399 0 50 CDAA N=c1[nH]nc(N2CCC3(CCOCC3)CC2)s1 1857672160 NNDCGRIHUZUPMR-UHFFFAOYSA-N 254.359 1.348 0 50 CDAA O=C(Cn1ccc(=O)cc1)NCc1ccc(F)cc1Cl 1857684763 CHROPGNVQOBSSG-UHFFFAOYSA-N 294.713 1.957 0 50 CDAA O[C@H]1CN(C2CCOCC2)C[C@H]1Cc1ccncc1 1857715454 RYYFZTSUITVOJU-HIFRSBDPSA-N 262.353 1.096 0 50 CDAA O=C(O)CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 18136943 VJQIELFQBSTLSN-SECBINFHSA-N 299.735 1.790 0 50 CDAA CCc1cnc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)s1 224739431 ZQCJCJOOTUJNPN-YUMQZZPRSA-N 254.311 1.042 0 50 CDAA O=C1CC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)N1 12404702 RAWZQCKUGRNZKM-SECBINFHSA-N 256.664 1.696 0 50 CDAA in-vitro O=C(C[C@@H]1CCCC[C@H]1O)N[C@H]1C[C@H]2CC[C@H]1O2 343799638 ZTULPGFEVOUYGI-OBPIAQAESA-N 253.342 1.364 0 50 CDAA CNS(=O)(=O)c1ccccc1N1CCC[C@](C)(O)CC1 230373874 QECNAKDEPWHVBF-AWEZNQCLSA-N 298.408 1.336 0 50 CDAA CNC[C@H]1CCCN1C(=O)[C@H]1COc2ccccc21 122614406 VSQNQLAKQUGORK-YPMHNXCESA-N 260.337 1.373 0 50 CDAA Cn1cc(-c2csc(CN3CCC(N)CC3)n2)cn1 261942902 MXRSVJYOIXWJDM-UHFFFAOYSA-N 277.397 1.467 0 50 CDAA CCCc1nc(N2CCN(CCSC)CC2)no1 1772804038 DFVOYWGUPZMYGE-UHFFFAOYSA-N 270.402 1.507 0 50 CDAA CCOC(=O)c1ccc(NC2=NC(=O)CS2)cc1 12866799 MRDXMESGLAWUKW-UHFFFAOYSA-N 264.306 1.905 0 50 CDAA CCOC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O 5388798 BSWUXLUIVRMAAI-UHFFFAOYSA-N 288.303 1.482 0 50 CDAA COC(=O)c1cn2cc(Br)ccc2n1 5610931 DCQQILZPUHSRGM-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H](C)O1 16580408 UTJMKSQGXMDKLO-NXEZZACHSA-N 285.290 1.979 0 50 CDAA CN1CCO[C@@H](Cn2ccnc2-c2ccc3c(c2)CCO3)C1 1857678072 AVSNMSFAKNUWNX-OAHLLOKOSA-N 299.374 1.816 0 50 CDAA O=S(=O)(OS(=O)(=O)c1ccccc1)c1ccccc1 2515992 MLWPJXZKQOPTKZ-UHFFFAOYSA-N 298.341 1.781 0 50 CDAA in-vitro O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 3865023 RITOUJDZVRPURH-MRVPVSSYSA-N 275.351 1.233 0 50 CDAA in-vitro CN1CCN(C(=O)Cc2ccoc2)C[C@@H]1c1ncc[nH]1 328631043 QMKYBUIXFRSZIC-GFCCVEGCSA-N 274.324 1.061 0 50 CDAA CN1CCN(C(=O)CCc2ccoc2)C[C@@H]1c1ncc[nH]1 328619509 FXYLJQPEVRZOSU-CYBMUJFWSA-N 288.351 1.451 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@](C)(C(=O)O)C1 237413686 WIJATZDIMNHUTE-RTHLEPHNSA-N 280.324 1.718 0 50 CDAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCCO1)c1cccs1 237936068 QKBJASOYSYKTSD-UWVGGRQHSA-N 283.349 1.949 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(O)cc1 241231159 KSPCSLXTFYMKED-RBJBARPLSA-N 273.288 1.854 0 50 CDAA O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1ncccn1 790261152 QGUKHRRZWCWILA-UHFFFAOYSA-N 296.252 1.978 0 50 CDAA CC[C@](NC(=O)[C@@H]1CCCOC1)(C(=O)O)c1ccccc1 262164521 OIVWNMYSDALLMN-MLGOLLRUSA-N 291.347 1.919 0 50 CDAA CCc1nc(=N[C@H]2CCO[C@H](c3cnn(C)c3)C2)s[nH]1 585092223 KCCDITMPLYAHDU-QWRGUYRKSA-N 293.396 1.588 0 50 CDAA Cc1csc(=O)n1CCOC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 809545231 YWCKBDTXWJAOOM-SRVKXCTJSA-N 279.361 1.974 0 50 CDAA O=C(c1ccccc1-c1cn[nH]c1)N1CC(N2CCCC2)C1 912320507 CJWUNBLUQIBHCM-UHFFFAOYSA-N 296.374 1.997 0 50 CDAA Cc1cnc([C@@]2(NC(=O)c3n[nH]c(C)c3C)CCOC2)[nH]1 818669823 DDVIQSBQZFTONG-CQSZACIVSA-N 289.339 1.104 0 50 CDAA C=CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1O 820437009 YOWGWZCQLJGTBN-IUCAKERBSA-N 263.297 1.053 0 50 CDAA Cc1ccccc1[C@@H](C)C(=O)NCC(=O)N1CCCO1 823407470 KAZHUFCCQNOXDC-GFCCVEGCSA-N 276.336 1.379 0 50 CDAA COC1(C(F)(F)F)CN(C(=O)Nc2ccnnc2C)C1 930816540 MQVCUTULYVKFBR-UHFFFAOYSA-N 290.245 1.580 0 50 CDAA CC[C@@H]1CN(C(=O)NCC2CSC2)C[C@H](C)O1 864095393 JMHSXCBKIIZNAX-GXSJLCMTSA-N 258.387 1.558 0 50 CDAA COc1ncccc1C(=O)N1CC[C@@H](c2n[nH]cc2N)C1 864382107 FBINYZHWPDEWKD-SECBINFHSA-N 287.323 1.025 0 50 CDAA Nc1nc(C(F)F)nc(N2CC[C@@H](c3cccnc3)C2)n1 872581154 ISWNIPQIDSFYBH-SECBINFHSA-N 292.293 1.780 0 50 CDAA C[C@@](NC(=O)C(=O)c1ccc(F)cc1)(C(=O)O)C1CC1 952847891 GAWCQMKNYQYHEA-AWEZNQCLSA-N 279.267 1.378 0 50 CDAA Cc1cc(NC(=O)N2CC(C3=NOCC3)C2)on1 1875298486 CDVMBSJSCZITTG-UHFFFAOYSA-N 250.258 1.223 0 50 CDAA CCOC(=O)c1cnc(SC)nc1N(C)CCCOC 1875289275 CZARZNBUAJKOPR-UHFFFAOYSA-N 299.396 1.848 0 50 CDAA Cn1cnc2c(NC[C@@H]3CCCO3)nc(Cl)nc21 1875302904 MGFRMFWIJQZUCD-ZETCQYMHSA-N 267.720 1.608 0 50 CDAA Nc1cc(C(=O)NC2CC2)nn1-c1ccc(F)cc1 1875344465 DPSPXURLGSUHBU-UHFFFAOYSA-N 260.272 1.486 0 50 CDAA C[C@H](CC1CCOCC1)NC(=O)/C=C/CN(C)C 1875375699 KYYCYUHJCAVEOW-ZYOFXKKJSA-N 254.374 1.426 0 50 CDAA CCOc1ncccc1-c1nnc([C@@]2(OC)CCOC2)o1 886082105 AMZFBCCRVUAJKY-CQSZACIVSA-N 291.307 1.792 0 50 CDAA C[C@@]1(NC(=O)c2cc(O)ncn2)CCOc2ccccc21 887062553 XSKMXEVONYKTAW-OAHLLOKOSA-N 285.303 1.610 0 50 CDAA C[C@]1(C2CC2)COCCN1C(=O)c1nnc(C2CC2)o1 890590513 JGTTVSVVBQHRQN-CQSZACIVSA-N 277.324 1.588 0 50 CDAA CCc1c[nH]c2ncnc(N3CC[C@H](c4n[nH]c(C)n4)C3)c12 894208466 IJTZRBNVPARPLR-NSHDSACASA-N 297.366 1.941 0 50 CDAA O=C1NCc2ccc(NCCCN3CCOCC3)cc2N1 1776003177 DSWYTIQEKWYHNP-UHFFFAOYSA-N 290.367 1.456 0 50 CDAA CN1CCN(c2ccnc3ccccc23)C[C@@H]1C(=O)O 67921327 AFBPNTNJXPILOP-CQSZACIVSA-N 271.320 1.440 0 50 CDAA CO[C@]1(C(=O)O)CCN(C[C@@H](O)c2ccc(C)cc2)C1 530170791 NDSJMHJNQUBQRG-UKRRQHHQSA-N 279.336 1.204 0 50 CDAA CCc1sc(C(=O)N2CC[C@@](OC)(C(=O)O)C2)cc1C 630249893 PQPFOODGWMAFFO-AWEZNQCLSA-N 297.376 1.935 0 50 CDAA O=C(c1cn[nH]c1)N1CC[C@@](O)(c2ccccc2)C1 584892022 SQCBHSJUWBOVHP-AWEZNQCLSA-N 257.293 1.143 0 50 CDAA O=C(Cc1nc(F)c(F)cc1F)N=c1cc(C2CC2)[nH][nH]1 2325780083 GBNUGUOYFMSFPO-UHFFFAOYSA-N 296.252 1.703 0 50 CDAA Cc1nc(C)c(C(=O)N[C@H]2C[C@H](n3ccnc3)C2)c(C)n1 2325803679 UXGHCDRNEFYFPA-JOCQHMNTSA-N 285.351 1.732 0 50 CDAA CC1(C)CC[C@@H](C(=O)NC[C@H]2CNC(C)(C)C2)OC1 2325809161 KWWOJMNMNVYFOM-RYUDHWBXSA-N 268.401 1.696 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccs1 73684 QNVORVWQLRXPIA-SECBINFHSA-N 252.295 1.549 0 50 CDAA COc1ccc(C2(C(N)=O)CCOCC2)cc1OC 290093 NZLLKUHTKJUBFH-UHFFFAOYSA-N 265.309 1.237 0 50 CDAA biogenic CCc1ccccc1-[n+]1[nH]oc(=O)c1Br 390152 UWHNEWJCJVXQCP-UHFFFAOYSA-O 270.106 1.570 0 50 CDAA O=C(c1cnccn1)N1CCN(c2ccccc2F)CC1 418338 MEAKNEYJJAHNAS-UHFFFAOYSA-N 286.310 1.578 0 50 CDAA COc1ccc(C)cc1NC(=O)NN1CCOCC1 612189 RXJVWEMRMRKFKZ-UHFFFAOYSA-N 265.313 1.372 0 50 CDAA c1c[nH]c([C@@H]2CCCN(Cc3ccn4ncnc4c3)C2)n1 2356147888 WBGRWQLTNNJNGY-CYBMUJFWSA-N 282.351 1.832 0 50 CDAA COCCNC(=O)COc1ccc(Br)cc1 2949767 DZPPRTAIKFMZEE-UHFFFAOYSA-N 288.141 1.591 0 50 CDAA O=C(NCc1cccc2ncnn12)[C@H]1Cc2ccccc2O1 2356156453 CEZFKPSZBCUTLT-CQSZACIVSA-N 294.314 1.349 0 50 CDAA Cc1nn(C)c2c1c(=O)c1ccccc1n2CC(=O)O 3107032 WUIXEAIHBAKACZ-UHFFFAOYSA-N 271.276 1.281 0 50 CDAA c1ccc([C@@H]2CN(Cc3cccc4ncnn34)CCN2)cc1 2356169279 OJBSTFBOLWRBKM-INIZCTEOSA-N 293.374 1.876 0 50 CDAA Nc1cncc(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)n1 2356169563 UXAOINWDGQWOFK-CYBMUJFWSA-N 298.346 1.635 0 50 CDAA CC(C)S(=O)(=O)CCNC(=O)c1ccc2ccccn12 2356170162 YASHLWWIAMNMQS-UHFFFAOYSA-N 294.376 1.492 0 50 CDAA CC(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 4961045 YGJLHFLSOFVVNX-UHFFFAOYSA-N 267.244 1.480 0 50 CDAA O=C(O)Cc1nc(CNc2ccc(Cl)cc2)n[nH]1 26508092 VFLADFKBAIZVGV-UHFFFAOYSA-N 266.688 1.697 0 50 CDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H](C)[C@@H]1CN 247331821 VEETYBIGFIDZMU-QPSCCSFWSA-N 298.427 1.546 0 50 CDAA CSc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1 100506854 GSHMWZICZVJZCJ-UHFFFAOYSA-N 258.306 1.807 0 50 CDAA CC(C)(C)c1ncc2c(n1)CN(c1cc(N)nc(N)n1)C2 67691587 VRQNZXZICSHVBT-UHFFFAOYSA-N 285.355 1.249 0 50 CDAA O=C(c1c[nH]c2ccc(Cl)cc2c1=O)N1CCOCC1 21730365 RSSSIIJFRSZNDQ-UHFFFAOYSA-N 292.722 1.654 0 50 CDAA CN1CCN(C(=O)[C@@H]2C[C@H]2C(=O)O)c2ccccc21 250406650 VCSNFXFABLSYNV-NXEZZACHSA-N 260.293 1.190 0 50 CDAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)CC[C@@H]1C(C)C 43762922 JUDTYMLEFBBUNC-BBBLOLIVSA-N 256.298 1.200 0 50 CDAA C[C@@H](C(=O)N1C[C@@H](CO)c2ccccc21)c1cncnc1 329308052 ZLUUZHOIARDCAJ-YPMHNXCESA-N 283.331 1.703 0 50 CDAA C[C@H]1Cc2cc(S(=O)(=O)NC(C)(C)CN)ccc2O1 123731432 HQRXSAHWYTUQJQ-VIFPVBQESA-N 284.381 1.026 0 50 CDAA O=C(NCCn1ccccc1=O)c1ccc2c(c1)OCO2 353635673 DNGBPDYJNYXISI-UHFFFAOYSA-N 286.287 1.007 0 50 CDAA O=C(c1cc2c(cn1)OCCO2)N1CCC[C@]12CCOC2 424817898 DZXQDLSIWBCITK-OAHLLOKOSA-N 290.319 1.248 0 50 CDAA CCc1cccnc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C 281668932 CIUKYDYDOJYNRI-MWLCHTKSSA-N 261.325 1.041 0 50 CDAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCO1 48577504 IUAIYRYEPXQKSF-CYBMUJFWSA-N 257.293 1.990 0 50 CDAA CN1CCCN(C[C@H](O)c2ccc(F)c(F)c2)CC1=O 252539477 OBZDDOQCGQROKK-ZDUSSCGKSA-N 284.306 1.162 0 50 CDAA CC[C@H]1CN(c2nc(C)nc3c2CCNCC3)CCN1C 65395804 IXNVSTOELZHSGX-ZDUSSCGKSA-N 289.427 1.004 0 50 CDAA CCOC[C@@H](C)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 330528109 FCOGHITWLJNDMI-LALPHHSUSA-N 294.399 1.097 0 50 CDAA C[C@@H](CN(C)C(=O)c1ccc(F)c(Cl)c1)c1nnn[nH]1 124237708 QDLISSYNOCZBFX-ZETCQYMHSA-N 297.721 1.868 0 50 CDAA Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](C)C(=O)O 36353516 BRHSKVYRHWDKAI-QMMMGPOBSA-N 279.321 1.445 0 50 CDAA OC1CN(Cc2cnc(NCc3ccccc3)nc2)C1 215162519 KNFNGHCEMDLCOD-UHFFFAOYSA-N 270.336 1.265 0 50 CDAA COCC[C@H]1COCCN1C(=O)c1cccc(CO)c1 366421482 DGAWNGYJEFAUES-AWEZNQCLSA-N 279.336 1.056 0 50 CDAA CC(C)c1nnc2n1CCN(C[C@@H]1CCCNC1)[C@H]2C 261765024 MQGFMBIJCJJLIO-QWHCGFSZSA-N 277.416 1.778 0 50 CDAA CCn1ccnc1CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 333228435 NQALYLDRXHNIHH-UPJWGTAASA-N 292.383 1.660 0 50 CDAA CCO[C@@H](C)c1noc(CN2CCOCC(F)(F)C2)n1 377486678 BBCUFNFZJDKUBT-VIFPVBQESA-N 291.298 1.635 0 50 CDAA Cc1nnc(CN(C)C(=O)Cn2ncc3ccccc32)o1 216442217 GFUMQVXWKVBEFF-UHFFFAOYSA-N 285.307 1.386 0 50 CDAA O=C([C@H]1CCCN1)N1CCO[C@H](c2ccccc2Cl)C1 237648596 KCEUNLKJINKETI-KGLIPLIRSA-N 294.782 1.992 0 50 CDAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cn[nH]c1 284578025 OYYKBEOKRBQPIL-GHMZBOCLSA-N 275.312 1.342 0 50 CDAA COc1ccc2nnc(CN[C@H](C)[C@@H]3C[C@H]3C3CC3)n2n1 606444692 NMSYJFDFSFZVBY-USWWRNFRSA-N 287.367 1.657 0 50 CDAA O=C([C@H](O)c1ccccc1)N1CCC(c2ccn[nH]2)CC1 175066446 ZBTLRQAYSNMQKK-OAHLLOKOSA-N 285.347 1.849 0 50 CDAA O=C(c1noc2c1COCC2)N1CC[C@H]1C(F)(F)F 527608789 ATTMKBMETXTWHJ-QMMMGPOBSA-N 276.214 1.524 0 50 CDAA COC[C@H]1[C@@H](NC(=O)Cc2cccc(O)c2)[C@@H]2CCO[C@@H]21 223409137 SSJRPRLVRYWZDE-SDADXPQNSA-N 291.347 1.101 0 50 CDAA Cc1nn(CCNC(=O)C[C@H]2CCOC2)c(C)c1Cl 426414738 SJDFUEBULBTFEF-LLVKDONJSA-N 285.775 1.696 0 50 CDAA CC(C)c1noc([C@H](C)NC(=O)Cn2ccnc2)n1 223800018 XJKPVGKDJODSTR-VIFPVBQESA-N 263.301 1.267 0 50 CDAA O=C(NCC12CCCN1CCC2)c1cnn(CCF)c1 614224085 NVUVMFTZQDMOFQ-UHFFFAOYSA-N 280.347 1.211 0 50 CDAA CCCN(C(=O)c1ccc(CN)cc1)[C@H]1CCNC1 178408060 ZCYLURJTCMLMHN-AWEZNQCLSA-N 261.369 1.359 0 50 CDAA C[C@@H](CC(=O)O)NC(=O)c1cc(C(C)(C)C)nc(O)n1 426584857 SIFYINJDXKFXBL-ZETCQYMHSA-N 281.312 1.073 0 50 CDAA CC1=CCN(C(=O)[C@@H](c2ccccc2)n2nnnc2C)CC1 426615547 OSSIYZVHOFHVOD-OAHLLOKOSA-N 297.362 1.750 0 50 CDAA CNC(=O)C[C@H](C)N(C)C(=O)Nc1cccc2[nH]ncc12 95503668 QJVNBRBOCBSHBU-VIFPVBQESA-N 289.339 1.551 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C(=O)O)N(C)Cc1ccoc1 95373324 DARTWUFKMVRYJK-CYBMUJFWSA-N 277.324 1.888 0 50 CDAA C[C@H](NC(=O)C1(O)CCN(C)CC1)c1cc(F)cc(F)c1 97475063 RBPSMCLMVAONRD-JTQLQIEISA-N 298.333 1.599 0 50 CDAA Cc1ccc([C@@H](C(=O)NCCCO)N(C)C)cc1 95377209 UQRCJPMPYWFEHW-ZDUSSCGKSA-N 250.342 1.096 0 50 CDAA Cc1ccnc(NCc2nnnn2-c2ccccc2)n1 95391249 GAXSNUTXQHVHPX-UHFFFAOYSA-N 267.296 1.373 0 50 CDAA COc1ccc(-c2cc(C(=O)N3CC[C@H](N)C3)n[nH]2)cc1 91793334 BYRFLIXZKYRISU-NSHDSACASA-N 286.335 1.259 0 50 CDAA CC(C)O[C@H](C)C(=O)NCCNC(=O)c1ccc(F)cc1 97475000 KGRZYKFXQBSOFZ-LLVKDONJSA-N 296.342 1.485 0 50 CDAA c1cc(N2CCCO[C@@H](CN3CCCCC3)C2)ncn1 91594402 ZYVDRRAFUZVCMY-AWEZNQCLSA-N 276.384 1.558 0 50 CDAA CCCc1cc(C(=O)NC2(C(=O)O)CCCC2)[nH]n1 95390248 QWBBLINOUZJARE-UHFFFAOYSA-N 265.313 1.489 0 50 CDAA c1cc(-c2nc[nH]n2)cc(-c2nc([C@@H]3CCOC3)n[nH]2)c1 97213331 KJTJPBAMZVKHAH-LLVKDONJSA-N 282.307 1.761 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)[nH]n1 91745190 QALNEWOXNGIPHJ-QWHCGFSZSA-N 299.330 1.659 0 50 CDAA O=C1CN(Cc2c[nH]cn2)CCN1CCc1ccccc1 97805660 TUJUHSAWSQZQQV-UHFFFAOYSA-N 284.363 1.297 0 50 CDAA CC[C@@]1(C(=O)O)CCCN(C(=O)C2CCC(CO)CC2)C1 91486741 WRPXTPNMEOKAQZ-SEEARECTSA-N 297.395 1.889 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 242614958 PMVSUYJXXTXMHW-SWYYREQYSA-N 275.348 1.814 0 50 CDAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H]1CCCN(C(=O)C2CC2)C1 247624917 NLKAUOLHHOVNRP-AAVRWANBSA-N 292.379 1.071 0 50 CDAA Cc1cccc(N2C(=O)[C@H]3[C@@H]4[C@H]5C[C@H]3[C@@H](O)[C@H]5O[C@]42C)c1 244673805 HVYIZCQICMAECY-PCFQZFDGSA-N 285.343 1.700 0 50 CDAA COC1CCN(C(=O)C2CCN(C(C)C)CC2)CC1 344336212 MPWYSQZGCQUCMG-UHFFFAOYSA-N 268.401 1.744 0 50 CDAA Cc1c[nH]cc1C(=O)NCCOc1ccc(C(=O)O)cc1 540784967 RTZLHQAQQXFPRX-UHFFFAOYSA-N 288.303 1.830 0 50 CDAA NC(=O)[C@@H](O)C1CCN(c2nc3cc(F)ccc3o2)CC1 299744598 PHTIONYPQCJPNB-LBPRGKRZSA-N 293.298 1.030 0 50 CDAA O=c1ccc(Br)cn1-c1cccnc1 255187980 IBTRNGBWTWNQGY-UHFFFAOYSA-N 251.083 1.995 0 50 CDAA Cc1ccsc1S(=O)(=O)N[C@H](C(=O)O)C(C)C 262425990 NVTBUEZAHNJHKD-QMMMGPOBSA-N 277.367 1.444 0 50 CDAA O=S(=O)(CCOc1ccccc1)NCc1cscn1 534584490 AFRGBIOAPOMUOS-UHFFFAOYSA-N 298.389 1.642 0 50 CDAA COCC1(CNC(=O)[C@@H](C)n2ccnc2C)CC1 534649875 RSKYDUKMNWZFSE-SNVBAGLBSA-N 251.330 1.295 0 50 CDAA COC(=O)c1cn(Cc2cccc(N)c2)cc2c(=O)[nH]nc1-2 263588268 QZFZSWAJYQWMBP-UHFFFAOYSA-N 298.302 1.093 0 50 CDAA O[C@@H]1CCN(c2ccnc(-c3cccc4c3OCC4)n2)C1 534650502 HMFSWHSIGQXOLY-GFCCVEGCSA-N 283.331 1.650 0 50 CDAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)nc1 299872813 NGPLBYMXVDHGDZ-CNVPUSNMSA-N 258.277 1.057 0 50 CDAA C[C@H]1CN(C2CC2)CCN1C(=O)CCc1cccnc1 1364102508 KMUMFOXXQJOAQI-ZDUSSCGKSA-N 273.380 1.709 0 50 CDAA CCCc1ccc(OCCNC(=O)[C@H]2C=CCN2)cc1 823010350 CNZRZTWRJVNKMS-OAHLLOKOSA-N 274.364 1.662 0 50 CDAA COc1nccnc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 824853277 NKYXWUBKDRSRIH-NEPJUHHUSA-N 298.346 1.271 0 50 CDAA CN1CC[C@@H](Cn2cnc3cccc(F)c3c2=O)C1 584889181 FVCAVHJQTDTRAH-SNVBAGLBSA-N 261.300 1.487 0 50 CDAA COc1ncc(CN2CCn3nc(C)cc3C2)cn1 824851983 LUNJYLISFFUGMF-UHFFFAOYSA-N 259.313 1.006 0 50 CDAA COc1c[nH]c(CN2CCCC[C@]2(C)C(=O)O)cc1=O 584901434 AZUNNFAAZJRHFC-CQSZACIVSA-N 280.324 1.213 0 50 CDAA CSCC(=O)N[C@H](CCn1cncn1)c1ccccc1 584886726 BAAIQLMVQRXEHS-CYBMUJFWSA-N 290.392 1.889 0 50 CDAA O=C(O)c1n[nH]cc1CN1CCC(Cn2ccnc2)CC1 670461653 ZIXLOKKBCJRFBM-UHFFFAOYSA-N 289.339 1.217 0 50 CDAA CNC(=O)C[C@@H]1CCN(C2CCN(C3CCCC3)CC2)C1 670455287 OFACTCPBFUZCEE-AWEZNQCLSA-N 293.455 1.851 0 50 CDAA O=S(=O)([C@H]1CCN(C[C@@H]2CC=CCC2)C1)N1CCCC1 245689672 APUHFHMEHYJPQZ-CABCVRRESA-N 298.452 1.843 0 50 CDAA COc1cccc(C)c1C(=O)N(C)Cc1nc(C)no1 952969013 GTJPAVVVZFJAPR-UHFFFAOYSA-N 275.308 1.967 0 50 CDAA CCc1ncnc(N[C@@H](C)CO[C@@H]2CCOC2)c1F 271029002 GVDUEVDUIFBXTE-VHSXEESVSA-N 269.320 1.784 0 50 CDAA C[C@H](O)CN1CCN(CCc2ccc3c(c2)CCO3)CC1 275036249 DTMIFJMIFYHAEW-AWEZNQCLSA-N 290.407 1.162 0 50 CDAA CCn1cc(C(=O)NC[C@H]2CCc3nccn3C2)cn1 275298384 GVPMXGJTEVBKCP-LLVKDONJSA-N 273.340 1.092 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NCCn1cnc2ccccc21 276634346 QSDZGZBMRBYRMA-OLZOCXBDSA-N 287.363 1.968 0 50 CDAA O=C(N[C@@H]1CCCC[C@H]1O)C(F)(F)c1ccccn1 170084930 PSMXSJQVVDHSNV-NXEZZACHSA-N 270.279 1.593 0 50 CDAA CC[C@H](C)Oc1cc(C(=O)N2CC[C@@](C)(O)C2)ccn1 170068079 NVGQHMCDFMWREU-XHDPSFHLSA-N 278.352 1.856 0 50 CDAA COCCS(=O)(=O)Nc1cc(C)c(C)cc1C(=O)O 279841388 CYBBVCXXSUFVNR-UHFFFAOYSA-N 287.337 1.390 0 50 CDAA Cc1c(CNC(=O)[C@H]2CCc3cccc(O)c32)cnn1C 551761779 KQAQAXUXRGETIP-ZDUSSCGKSA-N 285.347 1.780 0 50 CDAA COc1ccc(Cl)cc1CC(=O)N1CCN[C@H](C)C1 188389284 UDKPMPUMVKZLIK-SNVBAGLBSA-N 282.771 1.711 0 50 CDAA O[C@H]1CCN(Cc2ccc3nccnc3c2)CC1(F)F 639311691 VIRFHGZRJZSKKI-ZDUSSCGKSA-N 279.290 1.832 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1C(=O)CC1=CCCCC1 643951084 WWROEIGRUIQWAO-INIZCTEOSA-N 294.395 1.631 0 50 CDAA COC(=O)[C@H](NCc1cc(C)cc(C)c1)[C@H](C)O 191962769 HQYZCXMRARXUTM-WCQYABFASA-N 251.326 1.315 0 50 CDAA CO[C@@H](CC(=O)N1CCC(C(=O)O)CC1)C(F)(F)F 652051048 SUWDBNVJEUVFST-QMMMGPOBSA-N 283.246 1.277 0 50 CDAA Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)C(=O)O)[nH][nH]2)c1 566219382 IETDFUQUHCNXER-SNVBAGLBSA-N 287.319 1.775 0 50 CDAA O=C(O)[C@@H]1C[C@H](NC(=O)C2(C(=O)O)CC2)c2ccccc21 653328918 OVODKEQSLYKHKU-MNOVXSKESA-N 289.287 1.281 0 50 CDAA Cc1noc([C@H](C)N(C)C(=O)N[C@H](C)Cn2ccnc2)n1 653480194 ZDKQVJLFNBJHOX-ZJUUUORDSA-N 292.343 1.366 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2occc2C)C[C@@H]1C 195579301 DXNIDOXVDKXUTA-QWRGUYRKSA-N 265.309 1.859 0 50 CDAA c1c(N2CCNCC2)n[nH]c1[C@H]1CCCN(CC2CC2)C1 662337200 JXMBDDWBFVIRHM-AWEZNQCLSA-N 289.427 1.409 0 50 CDAA CCc1noc(C)c1NC(=O)c1ccc2c(c1)B(O)OC2 584966614 GHISWAQQBJEJDG-UHFFFAOYSA-N 286.096 1.015 0 50 CDAA CN(C)CCCC(C)(C)NC(=O)c1cc(F)cnc1O 585114213 LBIJOUUFVZWXFG-UHFFFAOYSA-N 283.347 1.777 0 50 CDAA C[C@@H](NC(=O)c1ccn(C)n1)c1cc(Br)no1 585128145 TWWJFWIFZVOETP-ZCFIWIBFSA-N 299.128 1.662 0 50 CDAA CCn1[nH]c(C)nc1=NC(=O)NCCc1ccncc1C 585119688 QBQGOUUUGRWXHB-UHFFFAOYSA-N 288.355 1.096 0 50 CDAA CC[C@H](C)S(=O)(=O)NC(=O)c1ccc2c(c1)ncn2C 785078835 PDVXCZUKMXJFAY-VIFPVBQESA-N 295.364 1.431 0 50 CDAA c1coc(-c2nnc(CN3CCN4CCC[C@H]4C3)o2)c1 247158509 MFIGKTJGYDGAPK-NSHDSACASA-N 274.324 1.610 0 50 CDAA CCNc1ccnc(N(C)Cc2nc(CC)no2)n1 1506399377 MXKAHFCQVOCZQU-UHFFFAOYSA-N 262.317 1.490 0 50 CDAA CCN(CC)C(=O)Cn1cc(-c2ccccc2C=O)nn1 1615571224 HFNBKXKPUNPCKP-UHFFFAOYSA-N 286.335 1.626 0 50 CDAA O=C(N[C@@]12CCC[C@@H]1NCC2)c1cccc2c1CCOC2 1615545762 IHAPPWWPMDNUJR-DOTOQJQBSA-N 286.375 1.774 0 50 CDAA C[C@@H](NS(=O)(=O)C[C@H](C)C(C)(C)C)c1nncn1C 1616037440 BMYFLHTYVUFCIN-VHSXEESVSA-N 288.417 1.478 0 50 CDAA O=C(NC1(C(=O)O)CC1)C1=Cc2cc(Cl)ccc2OC1 203653544 RLUGABFRJDCBOM-UHFFFAOYSA-N 293.706 1.849 0 50 CDAA Cn1nc(C(F)F)cc1C(=O)Nc1cnn2c1NCCC2 1506426364 OCVFGFXXBNQSLN-UHFFFAOYSA-N 296.281 1.622 0 50 CDAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N2CC(O)C2)c1C 1506427056 KESZRAVUMBTPCJ-UHFFFAOYSA-N 297.420 1.966 0 50 CDAA O[C@@H]1CN(Cc2ccoc2)C[C@H]1Cc1cnccn1 1529152848 ZQXIRUHCVDEQRT-TZMCWYRMSA-N 259.309 1.105 0 50 CDAA C[C@H]1CCCC[C@H]1CC(=O)N1CCC[C@H](CO)[C@@H]1CO 1857529808 JSDCKCXSHHCJOW-XQLPTFJDSA-N 283.412 1.795 0 50 CDAA O=C(Nc1cccnc1-n1ccnc1)[C@@H]1CCOC1 1857716844 HCXKHPVJWJVBOD-SNVBAGLBSA-N 258.281 1.242 0 50 CDAA Nc1n[nH]c2cc(I)ccc12 35635915 ZCOVGSLRWICSKC-UHFFFAOYSA-N 259.050 1.750 0 50 CDAA in-vitro C[C@]12C[C@@H]1CN(Cc1cnc(N3CCOCC3)s1)C2 1775979272 ZEGRKLTVZXJLSW-BXUZGUMPSA-N 279.409 1.822 0 50 CDAA CNCc1nnc(N(C)Cc2nc3c(s2)CCCC3)o1 1772707351 YKQHORDWQBUMEC-UHFFFAOYSA-N 293.396 1.761 0 50 CDAA CNCc1nnc(NCCc2cc(OC)cc(OC)c2)o1 1772710441 RGSNKMCUCCJLHG-UHFFFAOYSA-N 292.339 1.461 0 50 CDAA CCn1cc(CN2CCN(C)C[C@H]2C(C)C)cn1 248416924 QKIJORZJRJEAPJ-AWEZNQCLSA-N 250.390 1.675 0 50 CDAA CC(C)(C)OC(=O)NC[C@H](N)c1ccc2c(c1)OCO2 12357114 SPSZUBZMVYTJJF-JTQLQIEISA-N 280.324 1.940 0 50 CDAA CCCCNC(=O)Cn1nnnc1C=Cc1ccccc1 1857532251 VMDGYCNRDRMFTA-UHFFFAOYSA-N 285.351 1.760 0 50 CDAA O=C(O)[C@]12COCC[C@H]1CN(Cc1nccn1C1CC1)C2 1857669723 HJSJEEUZRLVDEJ-XHDPSFHLSA-N 291.351 1.141 0 50 CDAA O=C(NC1Cc2ccccc2C1)[C@@H]1CCn2nccc2C1 1857670284 FRLOZEXYPXKTGC-CQSZACIVSA-N 281.359 1.729 0 50 CDAA C[C@@H]1Cc2cc(CN3CC4(CNC(=O)N4C)C3)ccc2O1 1857676881 UZXWFKQHBJTJGX-LLVKDONJSA-N 287.363 1.219 0 50 CDAA CNc1ccc2c(O)cc(S(=O)(=O)O)cc2c1 2015588 ZCNCWYFISJTFHB-UHFFFAOYSA-N 253.279 1.834 0 50 CDAA in-vitro O=C(O)c1c[nH]c2ccc(Br)cc2c1=O 4158901 GIUZUAUCCUFVKW-UHFFFAOYSA-N 268.066 1.989 0 50 CDAA in-vitro Cc1cc(C(=O)NCc2nc[nH]n2)c(C)n1[C@@H]1CCOC1 624585391 WYSXHXOFECXPEV-LLVKDONJSA-N 289.339 1.114 0 50 CDAA Cc1noc(C)c1C(=O)N(C)C[C@H]1CCc2nccn2C1 328619742 GDWNWONBBGKXDH-GFCCVEGCSA-N 288.351 1.823 0 50 CDAA O=C(N[C@@H](C(=O)O)c1cc(F)ccc1F)[C@@H]1CCCO1 739369936 VDZSJJINADEAMD-WDEREUQCSA-N 285.246 1.386 0 50 CDAA CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)CCc1ccoc1 240244156 DKIFQKDPXZBJLL-STQMWFEESA-N 283.368 1.486 0 50 CDAA CCn1ncc2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)O)cc21 137149314 QODUNNYWZRVEBH-QWRGUYRKSA-N 273.292 1.715 0 50 CDAA Cn1cnc(C(=O)N2CCC(c3ccccc3F)CC2)n1 572292986 BKFKTLMBNMOPGM-UHFFFAOYSA-N 288.326 1.974 0 50 CDAA COc1ccc(CCC(=O)N2CC[C@H](N)C2)cc1F 257661035 DGSKKSJGTMUJCT-NSHDSACASA-N 266.316 1.327 0 50 CDAA O=C1OC[C@H]2CN(c3cnc4ccccc4n3)CCN12 378157214 GGZOMPHRYWYRTC-SNVBAGLBSA-N 270.292 1.271 0 50 CDAA CCCS(=O)(=O)CC(=O)N1CCCc2ccccc2C1 264507395 NEXZWVDDEAJCBS-UHFFFAOYSA-N 295.404 1.786 0 50 CDAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc[nH]c3)C1)CC2 1704301432 ZGSVPZYHGWRSRL-MRXNPFEDSA-N 297.362 1.507 0 50 CDAA C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1cnnn1C 926482657 BBWPBBWKUMYWJD-SSDOTTSWSA-N 278.291 1.618 0 50 CDAA Cc1csc(C[C@H]2CCN(c3nnnn3C)C2)n1 929057472 HNBAISNYAMJEBO-SECBINFHSA-N 264.358 1.044 0 50 CDAA C[C@H]1CN(C[C@@H](O)COc2ccc3cc[nH]c3c2)CCO1 929110408 XNHUVPSVUDBDPY-GXTWGEPZSA-N 290.363 1.628 0 50 CDAA C[C@H]1OCC[C@H]1C(=O)N(CCc1ccccc1)CC(=O)O 833632927 AUZMCQVMTDGWAF-TZMCWYRMSA-N 291.347 1.567 0 50 CDAA C=CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 1120552459 BPQACBUJIKVTCI-UHFFFAOYSA-N 274.320 1.212 0 50 CDAA CCOc1nc(N2CCC[C@@H](C(=O)O)C2)ncc1Cl 864097061 MSWNYLCDMSIOLN-MRVPVSSYSA-N 285.731 1.830 0 50 CDAA NS(=O)(=O)CCCN1CCC[C@H](c2ccncc2)CC1 952879632 FYUXMSPZTOMRDL-ZDUSSCGKSA-N 297.424 1.330 0 50 CDAA C[C@H]1CN(C[C@H](O)Cn2cccn2)CCN1C1CCCC1 952884277 WVZKDIBFAUUOIR-HOCLYGCPSA-N 292.427 1.193 0 50 CDAA COCC(C)(C)C(=O)N1CC[C@]2(CCCN2C)C1 952994949 XKUIHSQXAFQECP-CQSZACIVSA-N 254.374 1.356 0 50 CDAA COc1nn(C)cc1CN[C@H](C)c1snnc1C 1875284871 ROUAFWNKQYJUGA-SSDOTTSWSA-N 267.358 1.439 0 50 CDAA O=S(=O)([C@@H]1[C@H]2CCCC[C@H]21)N1CCCc2n[nH]cc21 1875290497 MDZIMCMQHFBPQZ-IWIIMEHWSA-N 281.381 1.681 0 50 CDAA O=S(=O)(NCC1CC1)c1sncc1Br 1875297887 HNBDYYLTFXCBTQ-UHFFFAOYSA-N 297.199 1.594 0 50 CDAA Cc1ccc(CC(=O)N2CCOC[C@H]2CC(=O)O)cc1 129436940 NGGQWFFJLVXMCJ-CYBMUJFWSA-N 277.320 1.240 0 50 CDAA Cc1ccnn1CC(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 1775957659 GNRPIVAREOTDLX-QWHCGFSZSA-N 289.339 1.031 0 50 CDAA O=C(NCc1cnn(CCF)c1)N[C@@H]1CC12CCOCC2 1775998562 YWFAETJIZFVUCQ-GFCCVEGCSA-N 296.346 1.221 0 50 CDAA CC(C)CCO[C@@H]1CCN(C(=O)C2(C(=O)O)CC2)C1 154975581 QSVMMIHRFMMVOX-LLVKDONJSA-N 269.341 1.515 0 50 CDAA C[C@@H](CN1CCOCC1)Nc1ncc(C(=O)O)cc1Cl 49502576 WFUBCKTWQIWKGG-VIFPVBQESA-N 299.758 1.566 0 50 CDAA CS(=O)(=O)NC1CCN(C[C@@H]2CC=CCC2)CC1 77554474 HOJRFIATRBGGDR-GFCCVEGCSA-N 272.414 1.356 0 50 CDAA O[C@@H]1COCC[C@H]1NCc1ccc(Cl)cc1F 623766868 NHERIDSVWSLXTI-VXGBXAGGSA-N 259.708 1.719 0 50 CDAA Cn1c(CCN)nnc1SCC[C@@H]1CC1(F)F 426698264 NTEHKBLYJYEZJD-SSDOTTSWSA-N 262.329 1.454 0 50 CDAA C[C@H](CN1CCOCC1)NCCCOC1CCCC1 534576173 XONIFXAMMKOTEJ-CQSZACIVSA-N 270.417 1.646 0 50 CDAA Cc1cc(C)nc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1 534672456 DOZOHDQLTQEMMC-WDEREUQCSA-N 277.324 1.211 0 50 CDAA CCN1CCC(n2ncc3c(O)cccc3c2=O)CC1 899349332 AFQVBHOBNDZVSH-UHFFFAOYSA-N 273.336 1.759 0 50 CDAA CCN1CCn2c(Cc3ccccc3F)nnc2C1=O 2100482280 NMOUFHFRALOFPK-UHFFFAOYSA-N 274.299 1.484 0 50 CDAA COc1ccc([C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(=O)O)C2)cc1 2325778019 XRNMFQLJVYGWNV-XCCSTKFXSA-N 289.331 1.778 0 50 CDAA Cc1ccc(OCCCNC(=O)[C@@H](F)[C@@H]2CCNC2)cc1 876628726 TYPCJVFGVRDUAL-HIFRSBDPSA-N 294.370 1.828 0 50 CDAA Cc1cc(=O)[nH]c2c1c(C)nn2CCc1ccccn1 185957 SBBXXQPNXSBKSY-UHFFFAOYSA-N 268.320 1.979 0 50 CDAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NCc1ccncc1 214694 WHQJJCMFRKVKNY-RYUDHWBXSA-N 260.293 1.365 0 50 CDAA CS(=O)(=O)CS(=O)(=O)c1ccc(Cl)cc1 395051 VUDXTXFYABLLCO-UHFFFAOYSA-N 268.743 1.116 0 50 CDAA CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1 543863 JKHUIUCSFUUXSF-SNVBAGLBSA-N 293.348 1.371 0 50 CDAA CS(=O)(=O)Nc1ccccc1C(=O)NC1CCCC1 581840 KKAQHBFQPFGJOY-UHFFFAOYSA-N 282.365 1.731 0 50 CDAA COc1ccc(NC(=O)C[C@@H](C(=O)O)N(C)C)cc1 610629 CTHQIAUULITEQE-NSHDSACASA-N 266.297 1.039 0 50 CDAA C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 611844 CIIFPRGHGBVUGN-LLVKDONJSA-N 296.392 1.412 0 50 CDAA O=C(OC1C[C@@H]2CC[C@H](C1)N2)[C@H](CO)c1ccccc1 900485 ATKYNAZQGVYHIB-IZGVIRRGSA-N 275.348 1.589 0 50 CDAA biogenic,in-vitro CCOC(=O)c1cccc(N[C@H]2C=CS(=O)(=O)C2)c1 1217541 AERPIVXXKZOFOK-LBPRGKRZSA-N 281.333 1.586 0 50 CDAA C[C@@H](SC1=NCCN1)C(=O)Nc1ccc(F)cc1 1994516 NMJVRKOTIYNGJZ-MRVPVSSYSA-N 267.329 1.845 0 50 CDAA Cc1nc(=Nc2cccc(-n3cccn3)c2)[nH]n1C 2356137878 CXIWDSGATZAQSL-UHFFFAOYSA-N 254.297 1.475 0 50 CDAA CC(C)(C)NC(=O)N[C@H](O)C(Cl)(Cl)Cl 2688269 OBWPSANEHMOHCL-SCSAIBSYSA-N 263.552 1.773 0 50 CDAA CC(C)n1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)cn1 2356143714 UFPOMCFEAAAHNN-KLPPZKSPSA-N 279.340 1.837 0 50 CDAA CC(=O)CS(=O)(=O)c1ccc(NC(C)=O)cc1 3116593 SJXNZIGVAWVGSA-UHFFFAOYSA-N 255.295 1.008 0 50 CDAA O=C(c1ccncc1)N1N=C(C2CC2)C[C@]1(O)C(F)(F)F 4178895 RNIMGBUKQKFDSD-LBPRGKRZSA-N 299.252 1.944 0 50 CDAA c1ccc2c(c1)nc(NC[C@H]1CCCO1)c1nnnn12 4928325 FEZITXGYXLHBPS-SECBINFHSA-N 270.296 1.263 0 50 CDAA CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 6680475 MDSTYWVHMUHGHF-UHFFFAOYSA-N 288.394 1.282 0 50 CDAA COC[C@H](C)NS(=O)(=O)c1cc(C)ccc1OC 6703955 OUYDZGLPTSLYFI-JTQLQIEISA-N 273.354 1.317 0 50 CDAA Cc1cccc(-c2noc(C(=O)NC[C@@H]3CCCO3)n2)c1 6746040 VHVAYPCCSUQHPK-LBPRGKRZSA-N 287.319 1.954 0 50 CDAA NC1=Nc2nc3ccccc3n2[C@H](c2ccncc2)N1 8973735 ZJBYTXKKYSOWRW-GFCCVEGCSA-N 264.292 1.528 0 50 CDAA Cc1cnn(CCC(=O)N2CCC[C@](C)(C(=O)O)C2)c1 414448335 MXNFJYKGIQCDRL-AWEZNQCLSA-N 279.340 1.295 0 50 CDAA CCc1coc(NC(=O)NCCc2nc(C)no2)n1 225850307 PSPWDDDLWVOBQD-UHFFFAOYSA-N 265.273 1.293 0 50 CDAA OC[C@@H]1C[C@H](O)[C@H](O)[C@H](Oc2ccc3ccccc3c2)O1 101819119 FYJUIDODJVPCHK-YHUYYLMFSA-N 290.315 1.048 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 226334712 HJWGQIWXLJCICV-JGGQBBKZSA-N 288.391 1.886 0 50 CDAA CC(=O)N1CCC(N(CCN(C)C)C[C@H]2CCCO2)CC1 65467276 YNASXABFAISIMP-MRXNPFEDSA-N 297.443 1.040 0 50 CDAA NC(=O)CN1CCN(Cc2cccc3ccccc23)CC1 20533977 VTMYLMZYVZMPHA-UHFFFAOYSA-N 283.375 1.443 0 50 CDAA C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccon1 248837994 NGNRMYJVDBGUHJ-IUODEOHRSA-N 285.347 1.925 0 50 CDAA CCCc1nc(C)cc(NCCN2C(=O)CCC2=O)n1 65394512 JYWHQOXKRQZTMN-UHFFFAOYSA-N 276.340 1.298 0 50 CDAA CNc1ccc(C(=O)N2CC[C@]3(CCCNC3)C2)cc1 67741265 XEAOVDSVYDQJQE-INIZCTEOSA-N 273.380 1.944 0 50 CDAA CCn1cc(S(=O)(=O)N2CCCO[C@H](C)C2)nc1C 331656008 POJKDHFZYZKVDK-SNVBAGLBSA-N 287.385 1.011 0 50 CDAA CC1=C(c2ccco2)CN(S(=O)(=O)N(C)C)CC1 328586297 VACNCGJLJPRPBN-UHFFFAOYSA-N 270.354 1.565 0 50 CDAA CC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)[nH]c1=O 1401556 HVJVUYMPZACFTR-UHFFFAOYSA-N 264.668 1.382 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)c2ccnc(C(C)C)n2)[nH]n1 71771251 XXWQYNYFQMCIHJ-JTQLQIEISA-N 287.367 1.993 0 50 CDAA CCCc1nc(NCc2cc(=O)[nH]cn2)c2cnn(C)c2n1 72125612 DXJCSGCMWNKDEO-UHFFFAOYSA-N 299.338 1.011 0 50 CDAA CCN1CCN(C(=O)[C@@H]2OCC[C@H]2C)C[C@H]1c1ncc[nH]1 328618070 DIWJNSDCCVJNQZ-FRRDWIJNSA-N 292.383 1.040 0 50 CDAA CCn1ncnc1CN1CCC(c2n[nH]c(C)n2)CC1 216492173 YGMPERRMFRGEJU-UHFFFAOYSA-N 275.360 1.104 0 50 CDAA Cc1c[nH]c(CN2CCO[C@@H](C(F)(F)F)C2)c(C)c1=O 71771448 NTLMQFUGMBOXMQ-LLVKDONJSA-N 290.285 1.755 0 50 CDAA COc1cccc(/C(C)=C/C(=O)N2CCNC[C@H]2C)c1 124598320 BUNCVYBLLOPZKN-CNELAYHGSA-N 274.364 1.919 0 50 CDAA CC[C@@H]1CN(C(=O)CCOc2ccccc2C)CCN1 71763493 YBCRAAUIXSQVQF-CQSZACIVSA-N 276.380 1.974 0 50 CDAA O=C(CCc1nc(Cl)n[nH]1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 71498610 LLXZUCSGELJOLI-DTIDVZRVSA-N 294.786 1.895 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1-n1cncn1 154271064 SINVITHPOWNMBA-CHWSQXEVSA-N 299.378 1.398 0 50 CDAA CCc1noc([C@H](C)NC(=O)c2cccnc2C)n1 218810687 JUXDPPIKYPAEPO-VIFPVBQESA-N 260.297 1.826 0 50 CDAA CCCOc1cccnc1C(=O)N1C[C@@H](O)C2(CC2)C1 365284648 HETIZTNQZMXXNG-GFCCVEGCSA-N 276.336 1.467 0 50 CDAA O=S(=O)(CCC1CCOCC1)NC1C[C@@H]2C[C@H]2C1 333424221 JSEOGFVBVUEXPH-RYUDHWBXSA-N 273.398 1.521 0 50 CDAA COc1cccc2c1OC[C@H](NCc1cncn1C)C2 237361188 SZIWKOWDUIGFAS-GFCCVEGCSA-N 273.336 1.522 0 50 CDAA O=C1OCCN1CC(=O)N1CCCC[C@@H]1c1ccccn1 215289696 YOVUXGCJRZMORY-CYBMUJFWSA-N 289.335 1.587 0 50 CDAA CN(C)c1cccc(NC(=O)N2CC3(CCOCC3)C2)n1 333793526 DUQRLXMOTNPDQZ-UHFFFAOYSA-N 290.367 1.792 0 50 CDAA Cc1n[nH]c(NC(=O)c2cc(Cc3ccccc3)[nH]n2)n1 339924342 RKSBQYARIZPQMC-UHFFFAOYSA-N 282.307 1.679 0 50 CDAA CCCSc1ncc(CN2CCOC[C@@H](CO)C2)cn1 77487838 ZTMBBPZIUVDIOO-CYBMUJFWSA-N 297.424 1.419 0 50 CDAA Cc1cccc2nc(CN3CCC[C@H]3C(=O)O)cn12 237766558 QDCBMGWTLPGTMG-LBPRGKRZSA-N 259.309 1.692 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)nc1 238081780 DHRJJTHQYGTROY-GFCCVEGCSA-N 289.335 1.371 0 50 CDAA COCc1ccc(C(=O)N2CCCC[C@H]2C(=O)O)o1 262228486 OBAWEUSPVHZNCQ-JTQLQIEISA-N 267.281 1.505 0 50 CDAA CC(C)N1[C@H]2CC[C@H]1CN(CC(=O)N(C)C1CC1)CC2 245497560 UKFSGYSHPVOECE-GJZGRUSLSA-N 279.428 1.554 0 50 CDAA Cn1cc([C@H]2CCN(C(=O)c3cccc(CO)c3)C2)cn1 335752397 PAWVUOFFVSVJOB-AWEZNQCLSA-N 285.347 1.542 0 50 CDAA Cn1ncc2c(NCCCCO)nc(C(C)(C)C)nc21 72156930 GRTZCEXIGBEGRK-UHFFFAOYSA-N 277.372 1.845 0 50 CDAA CC[C@@]1(O)CCN(c2ncc(Cl)cc2F)C[C@H]1O 72448032 XKFONLRBQKXWHI-ZYHUDNBSSA-N 274.723 1.586 0 50 CDAA CC[C@H](N)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 159288331 SMXYQUFXRLNLPV-GJZGRUSLSA-N 294.370 1.835 0 50 CDAA CCCc1cc(N2C[C@@H]3CCCN[C@@H]3C2)n2nccc2n1 72433287 UHPLYAKLQVMPIC-GXTWGEPZSA-N 285.395 1.870 0 50 CDAA NC(=O)[C@H]1CCC[C@@H](NC(=O)CCc2ccsc2)C1 172429091 UXBBIIHXIHKGEM-NWDGAFQWSA-N 280.393 1.841 0 50 CDAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2cnnn2C)c1 282262021 BWJYYCJPKLRPKR-UKRRQHHQSA-N 288.351 1.132 0 50 CDAA CNc1nc(C)cc(C(=O)Nc2ccc3[nH]ncc3c2)n1 241739124 RAEXDGCCOMPWOJ-UHFFFAOYSA-N 282.307 1.955 0 50 CDAA O=C(c1ccoc1)N1CCC(C(=O)O)(n2cccn2)CC1 72473840 YDZMBJBYZYBJJI-UHFFFAOYSA-N 289.291 1.192 0 50 CDAA O=C(Cc1ccc(O)c(Cl)c1)N[C@H]1C[C@@H]2OCC[C@H]12 220372263 BFUQNDGYGWIUKF-CDMKHQONSA-N 281.739 1.882 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)O)=NO2 86003020 PEQZOGMNNBDAMT-UHFFFAOYSA-N 284.312 1.617 0 50 CDAA in-vitro CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@@H](C(=O)O)C2)s1 178265919 MARPQUKVXUAWBX-DTWKUNHWSA-N 298.364 1.706 0 50 CDAA CCOC[C@@H]1CN(C(=O)NCC[C@@H](C)F)CCO1 527970560 ZOOPLECYNFSSIY-MNOVXSKESA-N 262.325 1.181 0 50 CDAA CC(C)Cc1cc(C(=O)N2CC[C@H](CN)C2)n(C)n1 82091337 RXVPLMFOYBQTFB-LLVKDONJSA-N 264.373 1.039 0 50 CDAA COC1(CNCc2cnn3ccccc23)CCOCC1 178438018 BPGYLTSLSVARHD-UHFFFAOYSA-N 275.352 1.620 0 50 CDAA CCOC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O 96028434 ILLSZFQEPSPOFQ-QMTHXVAHSA-N 287.356 1.558 0 50 CDAA COc1ccc(F)cc1C(=O)N(C)[C@@H]1CCNC1 179119426 NRQZEUWWNOVVSB-SNVBAGLBSA-N 252.289 1.268 0 50 CDAA COc1cc(-c2ccc(OC)nc2OC)nc(OC)n1 426666984 LFYOBMPFACRNPK-UHFFFAOYSA-N 277.280 1.573 0 50 CDAA Cc1ncc(C(=O)N2C[C@H](C(C)C)[C@@H](N)C2)s1 91505400 RKWMCAAQJWTNBW-ZJUUUORDSA-N 253.371 1.507 0 50 CDAA CO[C@@H]1COCC[C@@H]1CC(=O)N1CCCc2ncccc21 294580843 WERVKDZHXZKKDD-IUODEOHRSA-N 290.363 1.802 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 180114794 OWMXZIYBJRQDBR-ZWNOBZJWSA-N 293.273 1.636 0 50 CDAA CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](CNC)C1 236763708 HGDZUPIHBXPBAJ-UONOGXRCSA-N 267.417 1.319 0 50 CDAA Nc1cncc(-c2ncccc2C(=O)N2CCCC2)c1 97823037 FTUNTBVDLRNHJZ-UHFFFAOYSA-N 268.320 1.962 0 50 CDAA Cn1cc(CCN2CC[C@](C)(O)C(C)(C)C2)cn1 91876979 DESHOKGLAIDROR-AWEZNQCLSA-N 251.374 1.446 0 50 CDAA N[C@H]1C[C@@H](c2cc(N3CC(c4nccs4)C3)ncn2)C1 244787563 PZKCVUPBLLQSAE-JGZJWPJOSA-N 287.392 1.742 0 50 CDAA Cc1ccccc1[C@@H]1CN(CCc2cn(C)nn2)CCO1 625189396 QYMXZVWGIYSHJY-INIZCTEOSA-N 286.379 1.740 0 50 CDAA Cc1oc(CNC(=O)C[C@H]2CCOC2)cc1C(=O)O 299750894 OREYIBACDYFCMW-SECBINFHSA-N 267.281 1.329 0 50 CDAA CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]21 259911995 AFZOQLDLDMCJHT-IVZWLZJFSA-N 255.314 1.805 0 50 CDAA Cc1cn2nc(C(=O)NC3CCCC3)cc2c(O)n1 263619603 ZNMHABADNBNESR-UHFFFAOYSA-N 260.297 1.416 0 50 CDAA COc1ccnc(C(=O)N[C@H](C)c2nc(C)no2)c1 534668914 JWNBQZBBIQCIKX-SSDOTTSWSA-N 262.269 1.273 0 50 CDAA CCC[C@@H](CNC(=O)N1CC(c2ccncc2)C1)N(C)C 534587882 CUGOVPAANNZRNZ-HNNXBMFYSA-N 290.411 1.921 0 50 CDAA O=C(c1cncnc1)N1CCCC2(CCNCC2)CC1 534667040 NMYXPAPRKMFWBC-UHFFFAOYSA-N 274.368 1.473 0 50 CDAA CC(C)n1ncc(=NC(=O)[C@H]2COc3ccccc3C2)[nH]1 1940197992 GNTCKGYCSHYNDU-GFCCVEGCSA-N 286.335 1.471 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)c1ccn(C(F)F)n1 299795818 LYWYPJLPYDEEEA-QMMMGPOBSA-N 298.297 1.942 0 50 CDAA Cn1cc(NC(=O)NCCCSCc2ccco2)nn1 299771498 PGQZCMBFJADVNN-UHFFFAOYSA-N 295.368 1.853 0 50 CDAA Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCNCC2 299755673 BMQIAISNELPTGF-GFCCVEGCSA-N 299.378 1.223 0 50 CDAA CCCNc1ccccc1C(=O)N1CC[C@@H](O)[C@@H](CO)C1 396926482 VPPMJRVFFROSHY-IUODEOHRSA-N 292.379 1.324 0 50 CDAA NCCCOc1ccc(F)cc1C(=O)NCC(F)(F)F 299762991 XUEFGNVWPNIFBG-UHFFFAOYSA-N 294.248 1.845 0 50 CDAA OC[C@@H]1CCCN(CCNc2nccc3cccnc23)C1 828711090 DEPIFKKRTBUUGB-CYBMUJFWSA-N 286.379 1.746 0 50 CDAA CC[C@@H](NS(=O)(=O)N1CCCC1)c1cccc(C)n1 822658653 KICWUPDBSROUEE-GFCCVEGCSA-N 283.397 1.771 0 50 CDAA CN1C[C@H](OC(=O)CCSc2ccccc2)CNC1=O 585136136 SIGSJXZKLVFNIA-LLVKDONJSA-N 294.376 1.736 0 50 CDAA COCC[C@H]1CN(C(=O)c2cncc(F)c2)CCO1 584892157 ULKFQTQYNNJXGN-LBPRGKRZSA-N 268.288 1.098 0 50 CDAA CC(C)CC(C)(C)NC(=O)CCCn1cnnn1 670457425 KGLDREFCHQCVFL-UHFFFAOYSA-N 253.350 1.394 0 50 CDAA Cc1[nH]c(=N)sc1CC(=O)NCc1cc(C2CC2)n[nH]1 584904125 TUPRBISSZOVKAJ-UHFFFAOYSA-N 291.380 1.323 0 50 CDAA Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)nn1C 239415207 TZNUZBSBXWBGFB-GAIPPQHRSA-N 275.308 1.190 0 50 CDAA Cc1cc2n(n1)CCN(C(=O)Cc1c(C)noc1C)C2 584888045 HPKCWKQMPRHCLD-UHFFFAOYSA-N 274.324 1.381 0 50 CDAA CCC[C@@H](CNC(=O)Cc1ccc(CO)cc1)N(C)C 670448643 AISXDYBFZWYDBC-HNNXBMFYSA-N 278.396 1.568 0 50 CDAA Cc1ccc(NCCCNC(=O)Cc2nonc2C)nc1 670470933 VXURGPKZLVCIOH-UHFFFAOYSA-N 289.339 1.242 0 50 CDAA CCNc1ncc(CN(C)C[C@@H]2CCOC2)cn1 670469186 SMYLGBPJERVIJO-NSHDSACASA-N 250.346 1.377 0 50 CDAA CCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)C[C@@H]1O 1099686822 LBPJTDGPIAGIOF-KGLIPLIRSA-N 296.436 1.990 0 50 CDAA CCC[C@@H](C)NS(=O)(=O)Cc1noc(C2CC2)n1 1363761581 AEIMNLWIVVLQJK-MRVPVSSYSA-N 273.358 1.555 0 50 CDAA C[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccc(C(=O)O)cc1 630097504 ZFMOQPQLRGKOSL-JTQLQIEISA-N 287.319 1.603 0 50 CDAA CCCCCc1nnc(NC(=O)CN2CCOC2=O)s1 874135348 UURGRCGURHPJEL-UHFFFAOYSA-N 298.368 1.662 0 50 CDAA CNC[C@H]1CCCN(C(=O)c2cncnc2C(C)C)C1 269100404 BJTOOCSOMKNRPL-GFCCVEGCSA-N 276.384 1.672 0 50 CDAA CNC(=O)C1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)C1 186166550 UDTCFCYOEQUHGV-RYUDHWBXSA-N 294.301 1.273 0 50 CDAA Brc1nccc(I)n1 95803128 IPEJYDSOKWOWDS-UHFFFAOYSA-N 284.882 1.844 0 50 CDAA in-vitro O=C(Cc1cc(F)ccc1F)NC[C@H]1CCNC1 170075222 DOGFSWRXNFIYCN-VIFPVBQESA-N 254.280 1.233 0 50 CDAA CN(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(N)=O)cc1 408512919 ZKQYSISPWLJXGF-KGLIPLIRSA-N 289.379 1.388 0 50 CDAA C[C@@H]1CCCC[C@H]1C(=O)NS(=O)(=O)Cc1cccnc1 408504189 XSTDZGOOCFUXDQ-DGCLKSJQSA-N 296.392 1.854 0 50 CDAA CCOc1ccc(/C=C/C(=O)N2CCN[C@H](C)C2)cc1 188437393 VOUOWMNEBQRSOA-YSKGHYERSA-N 274.364 1.919 0 50 CDAA CN(CCn1cccn1)Cc1cn(C(C)(C)C)nn1 191355779 SRJHPRSXQNGUPF-UHFFFAOYSA-N 262.361 1.362 0 50 CDAA CCC(CC)(NCc1cccc2c1OCO2)C(N)=O 195577896 IOCKKSSXEQIOKA-UHFFFAOYSA-N 264.325 1.549 0 50 CDAA O=C(Cc1c(F)cccc1F)N[C@@H]1C[C@H]2OCC[C@@H]12 1074584096 UJUBWZCAMOHRSM-ZEGGKSINSA-N 267.275 1.801 0 50 CDAA Cc1cc(=NCc2cnc(Br)cn2)[nH]c(C)n1 585092881 RXKUNMKQKYSXAY-UHFFFAOYSA-N 294.156 1.680 0 50 CDAA N[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1c1ccccc1 91595565 SBDDHVTWWYCIAA-OLZOCXBDSA-N 268.320 1.044 0 50 CDAA CC[C@H]1CN(C(=N)NCC[C@@H]2CCCO2)C[C@@H](CC)O1 1615592720 ZQTUJKVVKLAFCV-MJBXVCDLSA-N 283.416 1.969 0 50 CDAA CN(CC[C@@H]1COCCO1)CCN1CCCCCC1 1775982667 CGPPCWMRPPMBJO-OAHLLOKOSA-N 270.417 1.600 0 50 CDAA CC(CO)(CO)NC(=O)c1cccc2ccccc12 407969 ICQHPMOHMDWVBN-UHFFFAOYSA-N 259.305 1.313 0 50 CDAA Oc1cc(CNC2CSCCSC2)ncn1 1506420680 AJPQYCQYJIEVOH-UHFFFAOYSA-N 257.384 1.120 0 50 CDAA CNc1nc(N(C)Cc2c[nH]nc2C)ncc1F 1529168073 VDVASUYBQOMOHX-UHFFFAOYSA-N 250.281 1.325 0 50 CDAA O=C(c1cnn[nH]1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529104645 RNYHJELJOLWNRD-LSDHHAIUSA-N 298.346 1.797 0 50 CDAA Cc1cnc(N(C)CC2(CO)CCCC2)nc1N(C)C 1529173123 MQZPEKXANPJXOP-UHFFFAOYSA-N 278.400 1.840 0 50 CDAA OC1CCN(c2ncc(Br)cn2)CC1 1495470 KHDDJQBUJMYKAY-UHFFFAOYSA-N 258.119 1.200 0 50 CDAA in-vitro N[C@@H]1CC[C@H]2CN(S(=O)(=O)Cc3ccccc3F)C[C@@H]12 230141908 PQQXTYKOMBZSSS-ZKYQVNSYSA-N 298.383 1.325 0 50 CDAA COc1nccc(C(=O)O)c1NC(=O)C(C)(C)C 35270540 JRSXXSCWNLJULV-UHFFFAOYSA-N 252.270 1.773 0 50 CDAA in-vitro CC(C)CSc1nnc(CCNC(=O)C(C)C)n1C 15001524 SREVKTHBCQITAJ-UHFFFAOYSA-N 284.429 1.878 0 50 CDAA CCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CCC3 19818726 VTPDWHAUILPXSM-UHFFFAOYSA-N 273.292 1.014 0 50 CDAA O=C1[C@H]2OC[C@@H](O2)[C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]12 169678496 BWOGNRRIYDTYOH-PSJXJDHFSA-N 279.679 1.383 0 50 CDAA CCOC(=O)C[C@@H]1C(=O)Nc2nc3ccccc3n21 169681469 CDJDNYDEOLOBSC-SNVBAGLBSA-N 259.265 1.483 0 50 CDAA CC(C)(C)c1cc(=NC(=O)c2nc3ncccn3n2)[nH]o1 1875243196 VRBZCSZDQQCVBZ-UHFFFAOYSA-N 286.295 1.084 0 50 CDAA Cc1cccc(CN(C)C(=O)[C@H]2CC[C@H](N)[C@@H](O)C2)c1C 1875245039 HMLYOYNDLBPIKL-BPUTZDHNSA-N 290.407 1.750 0 50 CDAA Cn1c(-c2nccn2C[C@H]2CCC(=O)N2)nc2ccccc21 1875248156 ZXUCKECHKVLBHT-LLVKDONJSA-N 295.346 1.715 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccnc(OC)c1 408474891 XAEPULWDZDOYQO-QWHCGFSZSA-N 278.352 1.912 0 50 CDAA C[C@@H](c1cccnc1)N1CCO[C@@H](Cn2cccn2)C1 229504014 JWYOCFNTQIJPCF-DZGCQCFKSA-N 272.352 1.740 0 50 CDAA O=C(CN1CCCC1=O)Nc1cccc(OCC(F)F)c1 128062683 HQYJYSISGFLTOA-UHFFFAOYSA-N 298.289 1.891 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3n2)C1 565316349 YJRZYDAYPCNYRC-JTQLQIEISA-N 273.292 1.500 0 50 CDAA CO[C@H](C)CS(=O)(=O)N1C[C@H](C)C[C@H](C)[C@H]1C 252539467 OBEOHIJJTKMJSX-WRWGMCAJSA-N 263.403 1.718 0 50 CDAA Cc1ccccc1CS(=O)(=O)N(C)Cc1nnc[nH]1 253416285 RKQFRMROGIOFMR-UHFFFAOYSA-N 280.353 1.075 0 50 CDAA CCn1nc(C)cc1C(=O)Nc1cc(C(N)=O)ccc1C 155082071 KCDCLRAYQFBAAS-UHFFFAOYSA-N 286.335 1.871 0 50 CDAA C[C@@](CO)(NC(=O)Cc1ccn[nH]1)C1CCCCC1 157984895 NWVRAFWTBUEGNS-AWEZNQCLSA-N 265.357 1.400 0 50 CDAA CCC(CC)C(=O)N1CCN(c2ccc(C)nn2)CC1 35597928 MFSJPXBCOQDMPV-UHFFFAOYSA-N 276.384 1.870 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C 36245421 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C=CC(=O)N1CCC(C(=O)N[C@H](C)CSC)CC1 1875365627 HYKLZUVHTUHFAZ-SNVBAGLBSA-N 270.398 1.279 0 50 CDAA O=C(Nc1c2c(cc3c1CCC3)CCC2)C1OCCO1 1875311922 PAXLGLVTJDYEDV-UHFFFAOYSA-N 273.332 1.975 0 50 CDAA C=CC(=O)N1CCC(C(=O)Nc2cnc(O)c(C)c2)CC1 1875363343 JMIZYCBMKOJOBN-UHFFFAOYSA-N 289.335 1.459 0 50 CDAA CCC[C@H](NC(=O)c1ccccc1OCC)c1nn[nH]n1 1875324439 YWNHLHIRBBMCQB-NSHDSACASA-N 289.339 1.870 0 50 CDAA CC(C)CNC(C)(C)c1cn(Cc2nccn2C)nn1 1875304918 ZHEDAGMKSPHUTG-UHFFFAOYSA-N 276.388 1.541 0 50 CDAA O=C(O)[C@@H]1CCN(S(=O)(=O)c2c[nH]c3ccccc23)C1 888099600 SHQNGZKNPARBSO-SECBINFHSA-N 294.332 1.263 0 50 CDAA CO[C@H]1C[C@H](CNC(=O)/C=C/c2cnccc2C)C1 893394519 BEJMTPKTKCGAEW-DMLUHXDOSA-N 260.337 1.944 0 50 CDAA OC1(c2nc(-c3cccn4ncnc34)no2)CCCCC1 1775999151 OPFXECXEZQAUPU-UHFFFAOYSA-N 285.307 1.931 0 50 CDAA CCOC(=O)[C@@H](C)N(C)C(=O)c1cccc(OC)c1 259378848 HXTQYIMUPCTOSX-SNVBAGLBSA-N 265.309 1.719 0 50 CDAA CCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C 262240185 KVHLZPLQWRILGQ-RISCZKNCSA-N 262.353 1.242 0 50 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297.318 1.629 0 50 CDAA c1cnc2c(-c3nccn3C3CCOCC3)cnn2c1 1857680622 QOMCKADVXASBDX-UHFFFAOYSA-N 269.308 1.944 0 50 CDAA O=C1C[C@H](Cn2ccnc2-c2cccnc2)CN1C1CC1 1857708155 IDJVGJLWLKMDBR-GFCCVEGCSA-N 282.347 1.956 0 50 CDAA COc1nc2ccccc2cc1-c1nc(C)n(CC(=O)O)n1 1875240618 CSUPHIFDFXAVNW-UHFFFAOYSA-N 298.302 1.895 0 50 CDAA Cc1co[nH]c1=NC(=O)N(C)C[C@@H]1CCc2nccn2C1 328623386 JAEMFPMTKVQYRM-NSHDSACASA-N 289.339 1.328 0 50 CDAA Cn1cnc2c(c1=O)CCN(C(=O)c1cccs1)C2 328630835 QGPFGWIFCBOVPB-UHFFFAOYSA-N 275.333 1.040 0 50 CDAA C[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)[C@@H]1CN 237506178 QIBIWGANOSNCFI-VHDGCEQUSA-N 275.396 1.662 0 50 CDAA O=C1C[C@@H](C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CN1 135192541 GOYFVYKNJINREB-CHWSQXEVSA-N 290.338 1.353 0 50 CDAA Cc1ncccc1CN1CCC[C@H](CC(N)=O)CC1 671469845 UCYJWFTUOPKDAN-ZDUSSCGKSA-N 261.369 1.868 0 50 CDAA C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)c2cccnc2O1 158253043 GTCUQWPNHLGWNC-SNVBAGLBSA-N 298.364 1.020 0 50 CDAA Cn1cccc1CNC(=O)N1CCN2CCC[C@H]2C1 266727646 KVDFLGYQOSTFJF-ZDUSSCGKSA-N 262.357 1.015 0 50 CDAA CCn1ccnc1CN[C@H]1CCCn2nc(C(=O)O)cc21 905794580 KOHVKSQQAUHNNL-JTQLQIEISA-N 289.339 1.422 0 50 CDAA Cc1[nH]nc2ncc(NC(=O)C[C@@H](C)CC(=O)O)cc12 952880391 ASXDTNMHWIYSNX-SSDOTTSWSA-N 276.296 1.706 0 50 CDAA Cc1ccc(C(=O)N2CC[C@](O)(c3cc[nH]n3)C2)c(O)c1 1875297215 HIAHWIXPBGSICH-OAHLLOKOSA-N 287.319 1.157 0 50 CDAA O=C(OCc1cccc2c[nH]nc12)c1cc2n(n1)CCOC2 1875266520 WTBAIGXATOYMPA-UHFFFAOYSA-N 298.302 1.647 0 50 CDAA Cc1nnsc1[C@H](C)NCCC1(O)CCOCC1 1875285220 HAXNSMDXOZPLCA-VIFPVBQESA-N 271.386 1.429 0 50 CDAA Cc1cc(C)nc(C(=O)N[C@H](c2nn[nH]n2)C(C)C)c1 1875252584 LBJFEYCVHKEISA-NSHDSACASA-N 274.328 1.339 0 50 CDAA C=CC(=O)NCc1ccc(OC)c(CN2CCOCC2)c1 1875366750 LUKPJLRVNBCWKC-UHFFFAOYSA-N 290.363 1.330 0 50 CDAA Cc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)[nH]1 1875341418 SBZYAIJFEXXSMS-UHFFFAOYSA-N 293.348 1.364 0 50 CDAA COc1cc(CCC(=O)NS(C)(=O)=O)ccc1Cl 1875390973 PWVLTPSSDMLVPU-UHFFFAOYSA-N 291.756 1.357 0 50 CDAA COc1cc(C)ccc1CN1CCO[C@@H](OC)C1 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264.310 1.536 0 50 CDAA O=C1NN(c2ccccc2)C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@@H]12 104318837 HAQJGWJLNVFFPT-PKCACUDHSA-N 280.327 1.749 0 50 CDAA COCCN(Cc1cccs1)C(=O)[C@@H]1CCNC1 55384336 CMVKVZRHOCKVLC-LLVKDONJSA-N 268.382 1.333 0 50 CDAA Cc1nsc(NC(=O)N2CCC(C(C)(C)O)CC2)n1 55211250 RKILJRQMCUKHSI-UHFFFAOYSA-N 284.385 1.861 0 50 CDAA Cc1nnc(NC(=O)N(C)Cc2c(C)nn(C)c2C)s1 55568796 JNGZLVMGUWHZND-UHFFFAOYSA-N 294.384 1.861 0 50 CDAA CCCN(Cc1cccnc1)C(=O)CCC(=O)OC 55357776 GEXKNJPZHPAADN-UHFFFAOYSA-N 264.325 1.773 0 50 CDAA Cc1ccccc1[C@@]1(C)NC(=O)N(Cc2ccon2)C1=O 115966254 MDVNNGBTTGLFKG-OAHLLOKOSA-N 285.303 1.950 0 50 CDAA COC[C@H]1[C@H](NC(=O)c2cccnc2C)[C@H]2CCO[C@H]21 1074581485 MWFVLYZXHZYTPE-XJFOESAGSA-N 276.336 1.170 0 50 CDAA Cc1cc(C)nc(CNC(=O)[C@@H]2CCC[C@H](O)C2)n1 1074601498 WUXYRJDPRPJJPK-NEPJUHHUSA-N 263.341 1.261 0 50 CDAA CCc1cnc(C)nc1NCCCN1CCOCC1 65366194 QRIKOGGSEBOHEB-UHFFFAOYSA-N 264.373 1.482 0 50 CDAA COC(=O)CN1CCN(Cc2ccccc2C)CC1 20418607 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182992223 PPQBGBJLDDKHMG-UHFFFAOYSA-N 269.348 1.945 0 50 CDAA Cn1nccc1[C@@H]1CCCN(c2cncc3nncn23)C1 374926241 DWRNXADISZRMPH-LLVKDONJSA-N 283.339 1.242 0 50 CDAA Cc1nc(CN2CCC(N3CCC(O)CC3)CC2)co1 72475899 KIKHYLUHXOBMEI-UHFFFAOYSA-N 279.384 1.404 0 50 CDAA COc1ccc(C(=O)N2CC[C@@H](OC)C2)c(O)c1 219650827 NYTZCJXFOUKZBF-SNVBAGLBSA-N 251.282 1.262 0 50 CDAA CC[C@@H]1CN(Cc2cncnc2)C[C@]2(CCOC2)O1 241132958 JNORIILSHMWQTR-KGLIPLIRSA-N 263.341 1.247 0 50 CDAA CCn1ccc(CN(C)C(=O)NC[C@@H]2CCCN(C)C2)c1 241287496 LLXMGDIFQPZXKL-AWEZNQCLSA-N 292.427 1.991 0 50 CDAA CN(Cc1cc(C(=O)O)n(C)n1)C1CCCCC1 49582293 KGSFSMQCQHOHJQ-UHFFFAOYSA-N 251.330 1.883 0 50 CDAA COc1ccc(CC(=O)N2CC[C@@H](CN)C2)cc1F 178515883 YJULBNJFBZSNPZ-NSHDSACASA-N 266.316 1.184 0 50 CDAA Cc1cccnc1CN(C)C(=O)CCn1ccnc1C 222937628 ZHFFNVYFHMLDIO-UHFFFAOYSA-N 272.352 1.944 0 50 CDAA COC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 226088635 VFQMIOXWTKDBHQ-UHFFFAOYSA-N 289.328 1.545 0 50 CDAA CNc1snc(C)c1C(=O)N1CC[C@@](C)(O)C1 177391403 NGMJFJKBIAERCB-LLVKDONJSA-N 255.343 1.090 0 50 CDAA COCCOc1ccc(-c2cnn(CC(N)=O)c2)cc1 426478024 OFZWRNDPCGDSSI-UHFFFAOYSA-N 275.308 1.061 0 50 CDAA COc1ccc(CN(C)CCN2CCNC2=O)c(OC)c1 290199635 GNMQEORKEGIQGP-UHFFFAOYSA-N 293.367 1.161 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cc(F)ccc1F 225785876 DVCPSCSBTRQRNT-WISYIIOYSA-N 295.241 1.558 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc2cccnc12 426477698 HJMRPKUDGUCXPG-ZIAGYGMSSA-N 286.331 1.769 0 50 CDAA CN1CCCN(C(=O)CCc2cn3ccccc3n2)CC1 97514201 LVTRMNNTQYOWII-UHFFFAOYSA-N 286.379 1.431 0 50 CDAA c1c([C@@H]2CCOC2)nnn1Cc1noc(C2CCCC2)n1 91435092 YJKLLSQMGKCDLO-LLVKDONJSA-N 289.339 1.871 0 50 CDAA COC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1c(C)noc1C)C2 91830368 YBKCRAGIVCBTBY-QWHCGFSZSA-N 293.367 1.954 0 50 CDAA CC(C)c1nc(CN(C)C(=O)COC[C@H]2CCCO2)no1 91643228 QFGNLMHXIKDYQO-LLVKDONJSA-N 297.355 1.347 0 50 CDAA CCNC(=O)c1ccc(NCCCn2ccnc2)nc1 91424807 SBHDAMGEJRHPHP-UHFFFAOYSA-N 273.340 1.530 0 50 CDAA CC(C)Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)n(C)n1 91440751 PWSDXVRCNGNDML-CQSZACIVSA-N 290.411 1.539 0 50 CDAA CCCn1cnnc1CNC(=O)Nc1cn(C)nc1C 96152072 PJIZEWVXUXSKIM-UHFFFAOYSA-N 277.332 1.052 0 50 CDAA CN(C)C[C@H]1COCCN(Cc2cccc(C(=O)O)c2)C1 97696240 NRZXLARQBGIXEL-CQSZACIVSA-N 292.379 1.395 0 50 CDAA CCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2CCCC[C@H]2C1 246479131 XNAJSKAXFKYLSM-RWMBFGLXSA-N 296.436 1.947 0 50 CDAA Cc1ncsc1C(=O)NCC[C@H]1CCCOC1 529601829 PKJYYSMUCGSNFN-SNVBAGLBSA-N 254.355 1.998 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1C[C@H]1CC[C@@H](N)CC1 244659792 HIRWQPVJWSGVEY-ZNMIVQPWSA-N 281.444 1.837 0 50 CDAA CSc1ccccc1C(=O)NC[C@@H]1C[C@H](F)CN1 252488661 IWJQZBAQEYBGMF-UWVGGRQHSA-N 268.357 1.838 0 50 CDAA CNC(=O)C[C@@H](C)N(C)Cc1cncn1CC(C)C 252479833 BNMLNRHYZASBMN-GFCCVEGCSA-N 266.389 1.496 0 50 CDAA Cn1cc(C(=O)N2Cc3cnn(C)c3C2)c(C2CCC2)n1 623251682 MKODIGYDDRHGTE-UHFFFAOYSA-N 285.351 1.577 0 50 CDAA COc1cncnc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 297317862 CLYHYYJSZXYEQT-FBIMIBRVSA-N 292.339 1.420 0 50 CDAA C[C@@]12[C@@H]3[C@H]4[C@H]5[C@@H]4[C@H]([C@H]31)n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]52 253595869 JZADYYGDWMIINM-JNXKBQLGSA-N 293.326 1.038 0 50 CDAA COc1ccc(CNC(=O)[C@H]2CCOC2)cc1C(=O)O 299748333 GYIFFHVNUFPVFN-JTQLQIEISA-N 279.292 1.046 0 50 CDAA O=C(NCCc1csc2ccccc12)[C@@H]1C[C@H](O)CN1 299750217 MXBMYVXKGHDIIU-AAEUAGOBSA-N 290.388 1.283 0 50 CDAA CC(C)C[C@@H](C)OCCC(=O)N1CCO[C@@H](C(=O)O)C1 299747150 CCSNEBXCBUAECK-VXGBXAGGSA-N 287.356 1.140 0 50 CDAA O=C(CN1CCCCCCC1)NCC1(CO)CCCC1 534584183 QFKUXHGIUOBRFF-UHFFFAOYSA-N 282.428 1.921 0 50 CDAA Cc1cccc(CCNC(=O)N2CC[C@H](N(C)C)C2)n1 350624285 BBFWQFRJCYFHOM-AWEZNQCLSA-N 276.384 1.278 0 50 CDAA CC1(C(=O)NC2(CC(=O)O)CCCCC2)COC1 534636296 DNOUTLYOWRCJFU-UHFFFAOYSA-N 255.314 1.317 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCN(C3CCCC3)C2)nn1C 534658075 MUMQCUFFCGWTNZ-CYBMUJFWSA-N 290.411 1.723 0 50 CDAA Cc1nccn1CC(=O)Nc1cccc2nn(C)nc12 1940195953 YDWCLJLIQHYPIB-UHFFFAOYSA-N 270.296 1.112 0 50 CDAA Cc1cccnc1C[C@H](C)NC(=O)c1n[nH]nc1C 299793186 GXNFXMXGPZIYQK-VIFPVBQESA-N 259.313 1.178 0 50 CDAA CC(C)OC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](O)C1 575447789 XBJRDXIWSRPFBV-GMZHKTEUSA-N 273.329 1.356 0 50 CDAA CC(C)[C@H](CNS(=O)(=O)CC1CCCC1)N(C)C 820694798 RRUGQEBQKZHHSD-ZDUSSCGKSA-N 276.446 1.682 0 50 CDAA CC(C)N1CCCC[C@H]1CCNC(=O)NCCC(=O)O 828022282 RPDDXZMEQPRABS-LBPRGKRZSA-N 285.388 1.413 0 50 CDAA O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CCOC1 670469592 HGUAECHHVYUNNY-LBPRGKRZSA-N 273.292 1.389 0 50 CDAA Cc1nn(C)cc1C(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 952974563 JRJXHSFMUGWIFZ-VIFPVBQESA-N 299.334 1.910 0 50 CDAA Cc1ccc(C(=O)N2CCN(C)CC2)c(F)c1F 20362883 NWJYYJXYUFYYDK-UHFFFAOYSA-N 254.280 1.661 0 50 CDAA CCOCC(=O)Nc1c(C)c(C)cc2nc(O)[nH]c12 952976159 YYAGWDQBVWOXHS-UHFFFAOYSA-N 263.297 1.860 0 50 CDAA COCc1csc(=Nc2ccc(OC)nc2)[nH]1 408515312 JDWYNIPMONCAQU-UHFFFAOYSA-N 251.311 1.859 0 50 CDAA Cc1nc(C(=O)N2CCN(c3cccc(O)c3)CC2)c[nH]1 269309297 NHDPLZCGBKBEJU-UHFFFAOYSA-N 286.335 1.386 0 50 CDAA O=C(O)[C@@]12COC[C@@H]1CN(Cc1ccc3ccccc3n1)C2 1574777457 FOBXJKQAOLLNRV-GUYCJALGSA-N 298.342 1.768 0 50 CDAA C[C@@H](c1cccs1)N(C)C(=O)c1cncnc1N 185425195 AMPMOIVZIKHOFO-QMMMGPOBSA-N 262.338 1.954 0 50 CDAA Cc1ccccc1C(=O)N1CCN([C@@H](C)CC(=O)O)CC1 630226769 ZPAHRIBSZFWBGS-ZDUSSCGKSA-N 290.363 1.616 0 50 CDAA CCOC(=O)[C@@H]1CNC[C@]12CCN(C(=O)OC(C)(C)C)C2 91303164 LKKYIMUKDUHHII-NHYWBVRUSA-N 298.383 1.396 0 50 CDAA in-vitro C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C)c2ncccc21 276756488 IKLWKBIDAVFCIM-RYUDHWBXSA-N 275.352 1.680 0 50 CDAA NC(=O)c1cnccc1N1CCC(c2ccncc2)CC1 302797619 RBTHRTMRAYBJHE-UHFFFAOYSA-N 282.347 1.960 0 50 CDAA Cc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 552209843 ZUAAQOVFHPVSGM-MRXNPFEDSA-N 274.364 1.182 0 50 CDAA CCO[C@H]1C[C@](CO)(NC(=O)c2scnc2C)C1(C)C 188886464 NLDXQJFETZNPAB-IINYFYTJSA-N 298.408 1.747 0 50 CDAA CC[C@@H]1CN(CCc2cnccn2)C[C@]2(CCOC2)O1 639619898 JEJAYIQMPPYUKU-CABCVRRESA-N 277.368 1.289 0 50 CDAA CCc1nc(CNC(=O)N(C)CC)ccc1C(=O)O 562878426 ARWRZQTWOFPXFG-UHFFFAOYSA-N 265.313 1.504 0 50 CDAA O=C(N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)[C@@H]1CCCCO1 653329034 QJCCZPVQENOBNQ-MCIONIFRSA-N 289.331 1.985 0 50 CDAA CC(C)(C)c1n[nH]c(CNS(=O)(=O)CCC2CC2)n1 581715119 YIQWJVAKPAQGBQ-UHFFFAOYSA-N 286.401 1.322 0 50 CDAA CCC[C@@H](CN1CCN(C)[C@H](c2nc(C)no2)C1)OC 583651106 HJXTZOVBDRSZTO-STQMWFEESA-N 282.388 1.482 0 50 CDAA O=C(Nc1cccnc1N1CCCC1)N1CCn2ccnc21 585086377 OMTSCLHCUSWDCU-UHFFFAOYSA-N 298.350 1.930 0 50 CDAA CCOC(=O)c1cc(CN2CCC=C(F)C2)on1 585086304 SGYQNWKFCYJKMV-UHFFFAOYSA-N 254.261 1.910 0 50 CDAA CC(C)CO[C@H](C)C(=O)NCCc1cn2cccnc2n1 585130882 FFZMNUHZYVFAKS-GFCCVEGCSA-N 290.367 1.449 0 50 CDAA C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1C(=O)[C@H]1CCCO1 1614994306 DYNLWTFNXCNGCO-VPOLOUISSA-N 255.314 1.266 0 50 CDAA COc1cc(CN2CCC(O)CC2)cc(OC)c1 42942 XUMBSSRIVJOXCR-UHFFFAOYSA-N 251.326 1.661 0 50 CDAA CO[C@@H](C(=O)Nc1nnc2nc(C)ccn12)c1ccccc1 1506408288 DFHJHVXCAGKPSH-GFCCVEGCSA-N 297.318 1.759 0 50 CDAA CC[C@@H]1C=CCN1C(=O)c1ccccc1-c1nn[nH]n1 1506397446 VCHNUVXCBJBPAJ-SNVBAGLBSA-N 269.308 1.657 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@@H](c1cccnc1)N1CCCC1 1529179328 AEJGOGIZOPTGMT-OAHLLOKOSA-N 299.378 1.899 0 50 CDAA CCCC(CCC)C(=O)N1CCO[C@H](C(=O)O)C1 211840200 NZEIOCLGYJEBTE-NSHDSACASA-N 257.330 1.515 0 50 CDAA CC1(C)C[C@@H](NC(=O)C2(S(C)(=O)=O)CCC2)CCO1 408108609 SMKFYVNJVPWKJD-JTQLQIEISA-N 289.397 1.028 0 50 CDAA Cc1ccc(C)c(OCCN2C(=O)C[C@H]3NCC[C@H]32)c1 1800413043 AEQZBTCZNDSBPW-ZIAGYGMSSA-N 274.364 1.645 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccncc1F 344801020 AUUKZEOAGNQVHD-VHSXEESVSA-N 268.288 1.097 0 50 CDAA Cn1nc(C(F)(F)F)cc1CN1CC(=O)NCC1(C)C 668107575 GHCMYTQUSXKFIU-UHFFFAOYSA-N 290.289 1.149 0 50 CDAA CC(C)c1ncncc1C(=O)N(C)[C@H](C)C(=O)O 262929427 XFGTVFVMBKXJMC-MRVPVSSYSA-N 251.286 1.145 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(N(C)C)nc1 121965899 AKHLLJDLOSYWSL-WCQYABFASA-N 276.384 1.490 0 50 CDAA O=C(Nc1ccc(-n2cnnn2)cc1)c1cccs1 6560450 CSIVVBWCUGYSKU-UHFFFAOYSA-N 271.305 1.976 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1c(O)cccc1F 1772711035 VXEGTIZNXSYBGY-UHFFFAOYSA-N 286.266 1.733 0 50 CDAA CC(C)Cc1ccc(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)cc1 1772816423 QFZWNDMMYGPNSO-IAGOWNOFSA-N 289.419 1.918 0 50 CDAA Cc1nnnn1Cc1ccc(C(=O)N2C[C@H]3C[C@]3(C)C2)cc1 1772806893 LWUHYWIBGCFCAO-GDBMZVCRSA-N 297.362 1.512 0 50 CDAA CCOc1cc(C)c(S(=O)(=O)N(C)C)cc1C 11613798 KLDPCEJVRLMVLV-UHFFFAOYSA-N 257.355 1.952 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)cc1 19685900 YRZWIHBEJNXXFX-LBPRGKRZSA-N 297.376 1.870 0 50 CDAA CCCN1CCC(NC(=O)c2cnc(OC)nc2)CC1 19953010 GZQSINVODRPWRH-UHFFFAOYSA-N 278.356 1.089 0 50 CDAA Cc1cc(C)n(CCCN(C)c2n[nH]c(=N)s2)n1 1857675509 BFQPPSHSXZSELH-UHFFFAOYSA-N 266.374 1.291 0 50 CDAA Cc1nc[nH]c1CC(=O)N[C@H](C)c1ncsc1C 1857686088 HKXXXNUNEMBYIT-MRVPVSSYSA-N 264.354 1.903 0 50 CDAA CN1CCCC[C@H]1CC(=O)NC1(CO)CC=CC1 1857686278 OPJKDPXAQCCNSH-LBPRGKRZSA-N 252.358 1.058 0 50 CDAA Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc[nH]c1 334238380 SSSCNYOKJGXHPQ-ZDUSSCGKSA-N 260.341 1.928 0 50 CDAA C[C@@H](CC(=O)N1CCCc2n[nH]cc2C1)[C@H]1CCCNC1 404673738 ANWLKDMXIPDXAI-STQMWFEESA-N 290.411 1.710 0 50 CDAA C[C@@H]1CN(CCOc2ccccc2Cl)C[C@H]1C(N)=O 408473638 FJSKSNNOEHPUDX-GHMZBOCLSA-N 282.771 1.772 0 50 CDAA Cn1ncc(Cl)c1C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 616368173 UQLGFGBNHSWHLE-KYZUINATSA-N 298.774 1.095 0 50 CDAA CC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 236810878 QEZYNCPTUMEVPP-UHFFFAOYSA-N 295.770 1.908 0 50 CDAA C[C@@H](CNC(=O)[C@@H]1SCCc2ccccc21)C(=O)O 237578747 IWFAXASQHJDFFE-JOYOIKCWSA-N 279.361 1.854 0 50 CDAA CN(C(=O)CCc1ccn(C)n1)[C@H]1CCN(C2CC2)C1 340188585 HVBCCFDLFZTGQY-AWEZNQCLSA-N 276.384 1.048 0 50 CDAA O=C(Nc1ccc2c[nH]nc2c1)c1cnn2cccnc12 340637287 FGPMSTUGQNKUAC-UHFFFAOYSA-N 278.275 1.858 0 50 CDAA C[C@@H](NS(=O)(=O)c1ccccc1)c1nnnn1C1CC1 252497384 QFHXPMHFZNVJHS-SECBINFHSA-N 293.352 1.048 0 50 CDAA O=C(N[C@H]1CCCCNC1=O)OCc1ccccc1 34168071 ZFWYCTUOFGJWRJ-LBPRGKRZSA-N 262.309 1.582 0 50 CDAA in-vitro Cn1cc(Br)c(CNC[C@@](C)(O)C(F)F)n1 905272926 LPDXMHQAFSASSS-SECBINFHSA-N 298.131 1.288 0 50 CDAA O=C(NC[C@H]1CCCNC1)c1ccn(CC(F)(F)F)n1 911706706 HEQKFZNLAHOYAS-VIFPVBQESA-N 290.289 1.175 0 50 CDAA C[C@@H]1CN(C(=O)c2c[nH]c(C(F)(F)F)c2)S(=O)(=O)C1 835577470 HTGIPUBWKKPCMA-ZCFIWIBFSA-N 296.270 1.455 0 50 CDAA C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/CN2CCOCC2)C1 864410086 OBSUGXZANIELSL-LSMGEYOZSA-N 266.385 1.379 0 50 CDAA C=CC(=O)N(CCC(N)=O)[C@@H]1CCOc2ccccc21 1875374690 CXXCHLVTINMREW-GFCCVEGCSA-N 274.320 1.400 0 50 CDAA COCCCN=c1ccc(C(=O)N2CC[C@H](C)C2)c[nH]1 1875323177 ADMADCYONIHYLN-LBPRGKRZSA-N 277.368 1.434 0 50 CDAA CCCNC(=O)Cn1c(Cc2ccc(F)cc2)noc1=O 1875391618 JRNTXUNJFFCCQL-UHFFFAOYSA-N 293.298 1.092 0 50 CDAA C=CS(=O)(=O)CCN1Cc2ccccc2OC[C@H]1C 1875367263 KERBXOQTHMOJTD-GFCCVEGCSA-N 281.377 1.828 0 50 CDAA Cc1nnc([C@]23CC[C@H]2CCN3S(=O)(=O)C2CC2)o1 1875305032 CWXDBUBSQDVRRI-CABZTGNLSA-N 283.353 1.181 0 50 CDAA CC(C)Cn1ncnc1CN[C@H]1CCO[C@@H]1c1cc[nH]n1 886077825 HGVSEBHYFNISBM-FZMZJTMJSA-N 290.371 1.277 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cnc4ccccn34)C[C@H]21 1775961340 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1772708709 AZTXILMYYNGTRF-NSHDSACASA-N 291.282 1.732 0 50 CDAA C[C@@]12C[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cc1)C2 1772819243 QXLNAGBAKKQBOR-RISCZKNCSA-N 279.361 1.572 0 50 CDAA CCn1ncnc1[C@@H](C)Nc1ncc(F)c(OC)n1 1772700309 BOSNYPWPKPCULD-SSDOTTSWSA-N 266.280 1.409 0 50 CDAA C=CNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 1772492760 YMCRGQYFMAHJRC-SMDDNHRTSA-N 286.287 1.106 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)C=C1CCCCC1 818309226 BIQBDTSEXYJZRR-OAHLLOKOSA-N 281.352 1.969 0 50 CDAA CCOC(=O)c1nc2cc(OC)c(OC)cc2[nH]c1=O 5615643 VWWIKEYQVLVLMO-UHFFFAOYSA-N 278.264 1.117 0 50 CDAA CC1(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)CC1 12701311 PEWNIOBVXHUKPC-ZDUSSCGKSA-N 290.338 1.843 0 50 CDAA CCCCN1C[C@@H](C(=O)N2CCC[C@H](C)C2)CC1=O 16527276 MQMDKQYFFOECMA-STQMWFEESA-N 266.385 1.894 0 50 CDAA CC1CCN(CCN(C)C(=O)c2ccnn2C)CC1 19795112 CZDMSUAPQOCARV-UHFFFAOYSA-N 264.373 1.224 0 50 CDAA C[C@H](CN1CCOCC1)OC(=O)c1cccs1 19907542 UKTIYHRXRSGEGT-SNVBAGLBSA-N 255.339 1.626 0 50 CDAA Cc1ccc2ncnc(N(C)CCc3cnn(C)c3)c2n1 1857679510 XLLUFOINGLSOEB-UHFFFAOYSA-N 282.351 1.746 0 50 CDAA COc1ncncc1CN1C[C@@H]2CCCCN2C[C@@H]1C 648009805 YFHQDKPVURDEDP-JSGCOSHPSA-N 276.384 1.544 0 50 CDAA O=C(Cc1cc[nH]n1)NCc1ccc2c(c1)CCO2 608360345 NVMGYTNNZCVEJO-UHFFFAOYSA-N 257.293 1.204 0 50 CDAA O=C(O)Cc1cccc(-c2nccc(N3CC[C@@H](O)C3)n2)c1 1875251610 AESTXGBVGRDHIL-CYBMUJFWSA-N 299.330 1.342 0 50 CDAA Cc1n[nH]cc1C(=O)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 629265355 OSKWDQIIBLHVEN-GXFFZTMASA-N 289.339 1.339 0 50 CDAA COc1cnc(C(=O)N2CC[C@H](O)[C@H]3CCCC[C@@H]32)nc1 634484532 DHHQZUAADQKMPW-AVGNSLFASA-N 291.351 1.251 0 50 CDAA C[C@H](Cc1cnn(C)c1)NC(=O)NC1C[C@H]2C[C@@H]2C1 333433458 UWFFUZXWGDJFEC-YUSALJHKSA-N 262.357 1.449 0 50 CDAA C[C@@H]1CCCN(C(=O)c2cccc3c2OCO3)[C@@H]1CN 237448820 XVOPMCSFPRARJR-ZYHUDNBSSA-N 276.336 1.615 0 50 CDAA C[C@@H]1CN(C(=O)CNC2CC2)C[C@@H](c2ccc(F)cc2)O1 237579814 RQIDDGQFWCGDHG-ABAIWWIYSA-N 292.354 1.866 0 50 CDAA C[C@H]1[C@H](O)CCCN1C(=O)c1cc2cccnc2[nH]1 334728137 PBGILDCHFIAHRT-JOYOIKCWSA-N 259.309 1.548 0 50 CDAA Cc1noc(C2CCN(C(=O)c3nccnc3C)CC2)n1 666900706 LPAWAHIDEBYILW-UHFFFAOYSA-N 287.323 1.496 0 50 CDAA CCOCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 250465422 BFZJMXRKIBMNJT-AXFHLTTASA-N 255.314 1.267 0 50 CDAA Cn1nncc1CN1CCO[C@H](c2ccc(F)cc2F)C1 375299377 HQHAOVVUDVPQBP-AWEZNQCLSA-N 294.305 1.667 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(Cc2cccc(F)c2)C1 585081497 AFRXBIJLIHXGGP-CQSZACIVSA-N 276.315 1.054 0 50 CDAA C[C@H]1CCC[C@H](CCN(C)C)N1C(=O)c1ccn(C)n1 585128242 WVCHUCQJWSTTIS-QWHCGFSZSA-N 278.400 1.755 0 50 CDAA CC1=CC[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)O)C(=O)[C@H]2C1 32513891 MZXRNJVEPRVAOA-SRVKXCTJSA-N 279.336 1.827 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)Cc1cnn2c1CCCC2 901495420 GKMNLCFRTBIPHK-CYBMUJFWSA-N 291.351 1.228 0 50 CDAA N[C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)n2)C1 911624878 TVVOADWNVCKBTE-VIFPVBQESA-N 287.285 1.593 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1cnc(C2CC2)nc1 818630256 XVZIBFKHHSLJQI-OAHLLOKOSA-N 291.351 1.420 0 50 CDAA CN1CCC[C@@H](CN(C)C(=O)[C@@H](N)c2ccccc2)C1 237113847 WEEYJRVVIVIRKZ-HIFRSBDPSA-N 275.396 1.487 0 50 CDAA Cc1cc(S(=O)(=O)N(C)Cc2ccoc2C)cnc1N 952995252 GGWLENBIYVLISV-UHFFFAOYSA-N 295.364 1.694 0 50 CDAA O=C(c1cn(-c2cccc(Cl)c2)cn1)N1CCNCC1 1875257983 HZLFXFYFOXGGAN-UHFFFAOYSA-N 290.754 1.571 0 50 CDAA CCCn1cnc(NS(=O)(=O)c2c(C)cnn2C)c1 1875280014 POFUPIDPOSRPBD-UHFFFAOYSA-N 283.357 1.136 0 50 CDAA CCCCc1n[nH]c(=NC(=O)Nc2cn(CC)nn2)s1 1875295567 JXRLBLZCSUUCFI-UHFFFAOYSA-N 295.372 1.558 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1nc(C2CC2)no1 1875282908 XVOLNOGXWIKHOP-ZCFIWIBFSA-N 275.312 1.778 0 50 CDAA O=C(c1cnn2c1CNCC2)N1CC=C(c2ccccc2)C1 1875315119 JDDADSNIWAKYMY-UHFFFAOYSA-N 294.358 1.526 0 50 CDAA Cc1ccc2n[nH]cc2c1C(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 887921565 NEXXSXKJXJXYJS-PXAZEXFGSA-N 298.390 1.895 0 50 CDAA O=C(NC1(c2ccccc2)COC1)c1cnn2c1CCCC2 888565945 AJRUWGHMYPBWLP-UHFFFAOYSA-N 297.358 1.875 0 50 CDAA COc1ccc(C(=O)N2CCOC[C@]2(C)C2CC2)o1 890589874 FHDDTTYEFNCAME-CQSZACIVSA-N 265.309 1.929 0 50 CDAA COc1cnccc1CNC(=O)[C@H]1CCOC(C)(C)C1 1775999293 IJZFJZUVKBZKEZ-NSHDSACASA-N 278.352 1.912 0 50 CDAA Cc1ccc(Cl)c(OC[C@H](O)Cn2cc(C)nn2)c1 899901463 MDAHSPPTJDLOBW-LLVKDONJSA-N 281.743 1.988 0 50 CDAA COC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)C1CC1 152388968 REPYCNZTDJOERD-GFCCVEGCSA-N 287.356 1.837 0 50 CDAA C[C@H](C(=O)O)N(C(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)C1CC1 262178810 PUUIMGXOYRABKK-VCHBTMOCSA-N 263.337 1.743 0 50 CDAA O=C(NC1CCN(C2CCCC2)CC1)c1cn[nH]c1 177412739 GPDHWQIGCIVLMF-UHFFFAOYSA-N 262.357 1.547 0 50 CDAA COc1cc(N(C)Cc2sccc2C)[nH]c(=N)n1 383798532 IGXDPAOTDSYSQB-UHFFFAOYSA-N 264.354 1.904 0 50 CDAA C[C@@H]1CCN[C@H](C)[C@H]1NC(=O)Cc1ccc(O)cc1 389081080 BAIPSSMXSHXLCA-HFAKWTLXSA-N 262.353 1.437 0 50 CDAA Nn1cnn2c(SCc3ccccc3Cl)nnc12 110509 RYOGJZNOMKJEOQ-UHFFFAOYSA-N 280.744 1.585 0 50 CDAA C[C@@H](C(=O)N1CCCC1)N1Cc2ccccc2CCC1=O 2100545433 UZJCJNUMWHUUIX-ZDUSSCGKSA-N 286.375 1.972 0 50 CDAA C[C@H]1CN(c2nc(=N)[nH]c3c2CCCC3)[C@@H](C)CO1 1875290008 GNILREGTXZJGCA-UWVGGRQHSA-N 262.357 1.382 0 50 CDAA NC(=O)c1c[nH]c(C(=O)Nc2cccc3c(O)nccc23)c1 1468024444 CTSQPJXMCFETEQ-UHFFFAOYSA-N 296.286 1.620 0 50 CDAA CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 166182 VZOJAOITKGOGKF-JTQLQIEISA-N 291.756 1.728 0 50 CDAA O=C(CN1CCCCC1)Nc1ccc2c(c1)OCCO2 208405 VXTUXQDPHIUYQS-UHFFFAOYSA-N 276.336 1.882 0 50 CDAA CCOC(=O)CSc1nnc(-c2ccco2)n1C 416240 VPDRAYIUSPPJCI-UHFFFAOYSA-N 267.310 1.730 0 50 CDAA Cc1csc(NC(=O)c2ccc(-n3cnnn3)cc2)n1 418392 RFYIXHOKHXUMRU-UHFFFAOYSA-N 286.320 1.680 0 50 CDAA COCCNC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 2872145 XQZUATHEVKROQX-NSHDSACASA-N 298.342 1.951 0 50 CDAA NC(=O)C(Cl)(Cl)CCC(Cl)(Cl)C(N)=O 3124817 LPPGMCXMLSNLNA-UHFFFAOYSA-N 281.954 1.085 0 50 CDAA CCCCc1nnc(NC(=O)CSc2ncn[nH]2)s1 6359957 VLPLLYDCMDFQOF-UHFFFAOYSA-N 298.397 1.730 0 50 CDAA CCn1cc(S(=O)(=O)n2nc(C)c(Cl)c2C)cn1 6731080 GCXRTZRTBMZBDV-UHFFFAOYSA-N 288.760 1.607 0 50 CDAA Cc1cc2ccccc2n1CCC(=O)N1CCC[C@H]1C(N)=O 55343502 ZIEDDIBWMHEBQY-HNNXBMFYSA-N 299.374 1.816 0 50 CDAA Cc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 8602242 AQSRLOWDIDQDBF-UHFFFAOYSA-N 284.363 1.401 0 50 CDAA biogenic,in-vitro COC(=O)c1cccc(Nc2nc(=O)c(C)n[nH]2)c1 8997390 GWFDVAXPJROHMM-UHFFFAOYSA-N 260.253 1.004 0 50 CDAA COCCCN(C)C(=O)N1CCC[C@H]1c1ccn[nH]1 225831064 DCMMMCUBEMTKOP-LBPRGKRZSA-N 266.345 1.635 0 50 CDAA C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-n3cnnn3)cc2)C1 20427015 DBRVMMASDXTNSI-RYUDHWBXSA-N 285.351 1.780 0 50 CDAA CN1CCCC[C@@H]1CCC(=O)N1CC(n2cccn2)C1 65399230 DGHADBNZFZZICO-CYBMUJFWSA-N 276.384 1.531 0 50 CDAA COc1ccccc1O[C@@H](C)C(=O)N1CCN(C)CC1 20311660 NGMYSDHBAZMJRA-LBPRGKRZSA-N 278.352 1.237 0 50 CDAA O=C(CCNC[C@H]1CCCC[C@H]1O)NCc1ccco1 65373615 JKELVGXMCOIDMX-TZMCWYRMSA-N 280.368 1.427 0 50 CDAA CO[C@H]1CCC[C@@H](CC(=O)Nc2c[nH]c(C(N)=O)c2)C1 331050657 IIEIDLOVIRYINS-KOLCDFICSA-N 279.340 1.647 0 50 CDAA Cc1nc2c(c(NCC3(Cn4cccn4)CC3)n1)CCNC2 67675778 DGAUJWCYNLRRHQ-UHFFFAOYSA-N 298.394 1.520 0 50 CDAA C[C@H]1CNCCN1C(=O)c1cccc(-n2ccnc2)c1 126109908 RBXUDEZZDNLDDJ-LBPRGKRZSA-N 270.336 1.306 0 50 CDAA CCc1ccccc1N1C(=O)[C@@H]2[C@H](O)CCCN2C1=O 328595506 WULYDBFTTQHUCK-OLZOCXBDSA-N 274.320 1.541 0 50 CDAA O=C(O)C[C@@H](NC(=O)c1cncnc1)c1ccc(F)cc1 431208660 CANXLPIBLLDPDH-GFCCVEGCSA-N 289.266 1.562 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2CNCCO2)c(C(F)(F)F)o1 72426741 RBELPTFTZWOILN-VIFPVBQESA-N 292.257 1.211 0 50 CDAA CO[C@@H]1CCC[C@@H](c2nc(-c3cnc(C)[nH]c3=N)no2)C1 328816417 CWEKAYDFTZJPJJ-NXEZZACHSA-N 289.339 1.920 0 50 CDAA CCN(CC)C(=O)COc1ccccc1S(C)(=O)=O 253417757 HLPHVEDCWVMMNR-UHFFFAOYSA-N 285.365 1.337 0 50 CDAA O=S(=O)(NCc1ccc(C(F)(F)F)cc1)C1COC1 330207203 FULTWOXZKBCDCG-UHFFFAOYSA-N 295.282 1.524 0 50 CDAA Clc1ccc(-c2nnn(C3CCNCC3)n2)cc1 258852239 WDHJWUBGHHGEDF-UHFFFAOYSA-N 263.732 1.918 0 50 CDAA CN(C)C[C@H]1COCCN(C(=O)c2ccc(F)cc2O)C1 215697094 DMIOUFLIPRAXBT-LLVKDONJSA-N 296.342 1.182 0 50 CDAA O=C(C[C@@H]1CCCCO1)N1CCNC[C@H]1c1ccncc1 333338704 XPQXEABZNFXBKA-GJZGRUSLSA-N 289.379 1.514 0 50 CDAA COc1cc(-c2noc([C@H]3CCCOCC3)n2)ncn1 333860499 ROSQXWWFBDHZMN-VIFPVBQESA-N 276.296 1.819 0 50 CDAA COc1cccc(OCC(=O)N2CCC[C@H](C)[C@@H]2CN)c1 156653322 YJQGTAUFYPLGMH-WFASDCNBSA-N 292.379 1.660 0 50 CDAA Cc1ccc(N2CCC(C(=O)NCCC(=O)O)CC2)nc1 372029236 ZUTDFFSZVPWUOU-UHFFFAOYSA-N 291.351 1.197 0 50 CDAA CO[C@H](CNC(C)(C)C)c1ccc(O)c(CO)c1 34605308 UMHASVFLCHGDPW-CYBMUJFWSA-N 253.342 1.960 0 50 CDAA in-vitro Cc1nsc(C)c1C(=O)N1C[C@@H](C)C[C@H](O)C1 335385027 RCODSYGZZSJNRA-XVKPBYJWSA-N 254.355 1.603 0 50 CDAA CS(=O)(=O)N1CCC[C@@H]1CNC1CCC2(CC1)CC2 335693908 GZTDJEWWAMRQHN-CYBMUJFWSA-N 286.441 1.723 0 50 CDAA O=C(C1CCC(O)CC1)N1CCC([C@H]2CCOC2)CC1 375690140 GLKDCXGEMRCHDX-SLTAFYQDSA-N 281.396 1.813 0 50 CDAA O=C(O)Cn1cnc2c(N3CCCC3)nc(Cl)nc21 72324009 ZYUHQVZSIPHOFE-UHFFFAOYSA-N 281.703 1.165 0 50 CDAA OCc1ccc(-c2nccn2C[C@H]2COCCO2)o1 71746494 YMDUOPKFELZOOE-NSHDSACASA-N 264.281 1.051 0 50 CDAA O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@H](CO)[C@H](O)C1 72154682 IBOZZKWIIORBLK-YMTOWFKASA-N 292.310 1.122 0 50 CDAA Cc1csc(CN2CCC[C@@H](c3n[nH]c(=O)o3)C2)n1 283993959 JLYCGDGTNIHVGL-SECBINFHSA-N 280.353 1.507 0 50 CDAA Cc1n[nH]nc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 193783133 RCEOAMQTTWFGGM-UHFFFAOYSA-N 299.309 1.932 0 50 CDAA Cc1ccc(NCCCNC(=O)Cc2cc(C)no2)nc1 223108147 KVTBXYXSFNRUBE-UHFFFAOYSA-N 288.351 1.847 0 50 CDAA CCc1nnsc1C(=O)N1CCO[C@@H](c2ccco2)C1 176726360 IXWSMVRDVHQQED-LLVKDONJSA-N 293.348 1.907 0 50 CDAA O=C1C[C@@H](c2ncc[nH]2)C2=C(c3ccccc3)NNC2=N1 198206345 DHMFHXRBFSDVLN-SNVBAGLBSA-N 279.303 1.341 0 50 CDAA O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCCC1 44890780 WHAJKOGBCOWBFT-UHFFFAOYSA-N 289.360 1.594 0 50 CDAA COc1ccc(CCCC(=O)N[C@@H]2COCC[C@H]2O)cc1 223837756 NNJTZXAOSMPXDV-HUUCEWRRSA-N 293.363 1.284 0 50 CDAA O=C(N[C@@]1(CO)COc2ccccc2C1)[C@@H]1CC=CCC1 529819508 JBZDEPIECUYLPZ-DYVFJYSZSA-N 287.359 1.825 0 50 CDAA CCc1ccc(NC(=O)C[C@H]2Cn3ncnc3NC2=O)cc1 40386491 ZPEBNMZMGPYEDJ-NSHDSACASA-N 299.334 1.438 0 50 CDAA Cc1cnc(C(=O)NCCc2cn3ccsc3n2)cn1 221193862 ASESLKUYWDCSTK-UHFFFAOYSA-N 287.348 1.467 0 50 CDAA O=C(c1cc2n(n1)CCO2)N(CC(F)(F)F)C1CC1 291449085 IKGDPRBVLRTJAM-UHFFFAOYSA-N 275.230 1.442 0 50 CDAA CSc1cccc(NC(=O)NC[C@@]2(O)CCCNC2)c1 426434605 XONVJJCCMMICRK-CQSZACIVSA-N 295.408 1.645 0 50 CDAA CCc1ncc(NC(=O)N[C@@H](C)c2cnn(C)c2C)cn1 178823975 FFTOLHWTWFFLSJ-VIFPVBQESA-N 288.355 1.964 0 50 CDAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)N1CC(c2ccncc2)C1 426623137 YRKCJRUHNPSIDM-UHFFFAOYSA-N 299.330 1.964 0 50 CDAA CC(C)Cc1cc(C(=O)N[C@H](C)CC(=O)O)on1 95502034 VXQKNQNTHDYQLI-MRVPVSSYSA-N 254.286 1.466 0 50 CDAA O=C(NCCCCc1ccccc1)NC[C@@H]1CNCCO1 426538261 BZJVSYIYPMTWJB-HNNXBMFYSA-N 291.395 1.297 0 50 CDAA CCn1cc(CN(C)C[C@H]2CCN(CCOC)C2)cn1 97532341 ADKAZLIEYUEZAJ-CQSZACIVSA-N 280.416 1.303 0 50 CDAA Cc1cc(C(=O)N[C@@H](CC(=O)O)c2cccs2)no1 237754822 ZRVLTTVGXIWIFN-QMMMGPOBSA-N 280.305 1.990 0 50 CDAA CCC[C@@H](N)C(=O)N1CCC[C@H](Cc2nccn2C)C1 236918769 QOGIEHVEIDVJDE-CHWSQXEVSA-N 278.400 1.329 0 50 CDAA c1c[nH]c(CN2CCCO[C@@H](CN3CCCC3)C2)n1 97475656 ZXHBPDRBJFVLGW-ZDUSSCGKSA-N 264.373 1.096 0 50 CDAA C[C@H]1CN(CCCNc2ccncn2)C[C@@H](C)O1 91636531 ZSULTZWFURWMBX-TXEJJXNPSA-N 250.346 1.388 0 50 CDAA Cc1cc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)on1 91690655 YVUIFEQCYSAXKU-NWDGAFQWSA-N 250.298 1.526 0 50 CDAA CN(C)c1cnn(CC[C@H]2CCCCN2C)c(=O)c1 95354843 RIXSLZHQTRGOQQ-GFCCVEGCSA-N 264.373 1.184 0 50 CDAA COCC[C@]1(CO)CCCN(c2cc(COC)ncn2)C1 91364825 PVKKHTKZDBDGRQ-OAHLLOKOSA-N 295.383 1.238 0 50 CDAA CC(C)(C)OC(=O)N1CCn2ncc(CO)c2C1 238150180 SKWSMSXJMYMAMO-UHFFFAOYSA-N 253.302 1.126 0 50 CDAA CC(C)Cn1cncc1Cn1cc([C@@H]2CCOC2)nn1 91452655 XXEHLYJQXAMCKB-GFCCVEGCSA-N 275.356 1.683 0 50 CDAA CCN(Cc1cn[nH]c1C(=O)O)[C@H]1CCOC(C)(C)C1 97087893 GCGNSFWITGOBQP-NSHDSACASA-N 281.356 1.887 0 50 CDAA CN1CCC[C@H]1CNC(=O)c1cnc(C2CC2)nc1 294920346 KBJSTGVUGSRKRU-LBPRGKRZSA-N 260.341 1.178 0 50 CDAA COc1ccc(Cl)c(N(CC(=O)O)S(C)(=O)=O)c1 242750277 ZJOZSBVACQDHKI-UHFFFAOYSA-N 293.728 1.199 0 50 CDAA COc1nccnc1CN1CC[C@H](O)CC(C)(C)C1 295210707 LNWLPHGAHJRQPR-NSHDSACASA-N 265.357 1.468 0 50 CDAA Cc1ccc(Cn2cnc3nc(C)c(CCO)c(=O)n32)cc1 622021191 IOWWRPOQPPUEBI-UHFFFAOYSA-N 298.346 1.091 0 50 CDAA COc1ncncc1NC(=O)N1CCC[C@H](CO)CC1 296659372 QEEKFHKEFYGIQT-JTQLQIEISA-N 280.328 1.112 0 50 CDAA CO[C@H](C)CC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 299745675 RTHJGDGZMWJOIX-WYUUTHIRSA-N 269.341 1.656 0 50 CDAA CC[C@@](C)(CC(=O)O)NC(=O)c1cccc2c1OCCO2 299752600 URYCUXAFOWBNJR-HNNXBMFYSA-N 293.319 1.831 0 50 CDAA O=C(CCn1ccnc1)NCC[C@H]1CCCOC1 534658902 SGGLODQKCNVLII-GFCCVEGCSA-N 251.330 1.206 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1[nH]cnc1C 534653108 UMSMLBGHLRSTGS-VIFPVBQESA-N 262.317 1.211 0 50 CDAA CC(C)[C@@H](NC(=O)c1nc2ncccc2[nH]1)c1ncnn1C 534672339 XJOMBNAFRLVSOV-SNVBAGLBSA-N 299.338 1.214 0 50 CDAA COC[C@@H](NC(=O)c1ccc(CO)o1)c1ccccn1 534663402 CIFMGLJNRWZBDA-GFCCVEGCSA-N 276.292 1.284 0 50 CDAA Cc1ccc2nc(CN3CC[C@H](O)C3)cc(O)c2c1 299796188 NHLPCCCQSFNVQF-LBPRGKRZSA-N 258.321 1.815 0 50 CDAA Cc1nncn1CCN(C)C[C@H]1CCCN(C(C)C)C1 823688777 RCVBLHQWWRRRNS-OAHLLOKOSA-N 279.432 1.639 0 50 CDAA CNC(=O)[C@@H](NC(=O)CCc1cccn1C)c1ccccc1 584887352 LIVVGCPPYUSSKQ-INIZCTEOSA-N 299.374 1.561 0 50 CDAA Cc1cc(C)n(CCCC(=O)N(C)Cc2nncn2C)n1 584886678 HMSPBMXTFOMPGN-UHFFFAOYSA-N 290.371 1.067 0 50 CDAA CCCc1ncncc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2N 584888822 MNHREGJNTPLLHP-GNXNZQSNSA-N 274.368 1.238 0 50 CDAA C[C@@H]1NCCC[C@@H]1c1ccc(NS(C)(=O)=O)cc1 757215122 VAGOQANJCNJSJX-GWCFXTLKSA-N 268.382 1.914 0 50 CDAA Ic1c[nH]nc1[C@H]1CCCCN1 1535543856 WVOOLLBPWKFVTP-SSDOTTSWSA-N 277.109 1.829 0 50 CDAA COC[C@H](C)NC[C@@H](C)NC(=O)c1ccc(F)cc1F 1379456007 NTHOSTQOXTZYPM-ZJUUUORDSA-N 286.322 1.708 0 50 CDAA O=C(O)[C@H]1COCCN1C(=O)C1CCC(F)(F)CC1 167019522 NCDOOJZQYFMAJT-SECBINFHSA-N 277.267 1.124 0 50 CDAA CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](C(=O)O)C1 91303447 NIRFFGUWLCEYLP-SECBINFHSA-N 281.312 1.335 0 50 CDAA in-vitro CN1CC[C@@H]2CCN(c3ncnc(N)c3Cl)[C@@H]2C1 277778422 LRNGHTGKWPDTGY-RKDXNWHRSA-N 267.764 1.243 0 50 CDAA C[C@H]1CCO[C@@H]1C(=O)Nc1cc2c(=O)[nH]cnc2cc1F 170594614 ZFUMWFGNLKNENV-MADCSZMMSA-N 291.282 1.426 0 50 CDAA CCN1C[C@@H](C)N(Cc2nnnn2C(C)(C)C)C[C@@H]1C 408254428 MVTHGSIQXTVDHI-NWDGAFQWSA-N 280.420 1.343 0 50 CDAA CCc1ccnc(C(=O)N2CCNC[C@@H]2c2ccncc2)c1 569474277 RJFSSMDFBPFXEZ-MRXNPFEDSA-N 296.374 1.826 0 50 CDAA COc1cc(C)nc(N2CCO[C@H](c3ccco3)C2)n1 674708653 BIMTUZZOVYWTON-LBPRGKRZSA-N 275.308 1.965 0 50 CDAA CCn1ncnc1CN1CC[C@H](c2nc(C3CC3)no2)C1 583619829 MGNQBZRCQSFRFC-NSHDSACASA-N 288.355 1.548 0 50 CDAA CNC(=O)c1cc(Oc2ccc(NC=O)cc2)ccn1 225010800 JPEOAANKOPAKBE-UHFFFAOYSA-N 271.276 1.802 0 50 CDAA in-vitro CC(C)[C@H](NC[C@@H]1CC(C(N)=O)=NO1)c1ccccc1 1615057324 RYZWQNFCMLRYLF-JSGCOSHPSA-N 275.352 1.604 0 50 CDAA CC[C@@H](COC)NCc1nc(-c2cccc(O)c2)no1 1615552570 WGOMQDGBYTYNTK-NSHDSACASA-N 277.324 1.957 0 50 CDAA COC(=O)c1cc(=O)c2cc(NC(C)=O)ccc2[nH]1 40456604 JNZLYYAFMTXECK-UHFFFAOYSA-N 260.249 1.273 0 50 CDAA in-vitro Cc1nc(N)nc(NC[C@H]2CCCCN2C)c1Cl 1506409037 ODUFVUATBBXRCP-SECBINFHSA-N 269.780 1.917 0 50 CDAA Cc1nc(C)n(C[C@H]2CCCN([C@H]3CCOC3)C2)n1 225392469 YBSIYBXQQXGAAD-KBPBESRZSA-N 264.373 1.396 0 50 CDAA Cc1cnnc(N2CCC3(CC2)CNCCO3)c1C 1857674812 ZBCGZGAHAKEDES-UHFFFAOYSA-N 262.357 1.052 0 50 CDAA O=C(O)[C@H]1CCN(Cc2c(F)cc(F)cc2F)C[C@H]1O 1704308815 LFOCCLWWIGRXBI-QPUJVOFHSA-N 289.253 1.371 0 50 CDAA COc1nccnc1-c1ccc2c(c1)CN(C)C2=O 1875249569 CLDYMOWFAKROLD-UHFFFAOYSA-N 255.277 1.738 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc(F)c1)C2 1704313397 PLAFKNJAHWUZNR-YGRLFVJLSA-N 296.317 1.367 0 50 CDAA C[C@@H]1CNCC[C@@H]1NS(=O)(=O)CCCC(F)(F)F 213713279 YEFVIVWDBCDPHF-BDAKNGLRSA-N 288.335 1.246 0 50 CDAA O=C(O)C1(C(=O)N2CCO[C@@H](c3ccco3)C2)CC1 119007009 LJXDUJIVGFJADA-SNVBAGLBSA-N 265.265 1.044 0 50 CDAA COC[C@H]1CN(Cc2noc(C(C)C)n2)CC(C)(C)O1 330519312 GSUAHKHKYWRFHO-LLVKDONJSA-N 283.372 1.819 0 50 CDAA COCc1noc(C2CCN(C(=O)C(C)C)CC2)n1 330755694 GTEDSHQNWJLYSA-UHFFFAOYSA-N 267.329 1.578 0 50 CDAA O=C(O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 11891060 IATZMARXQCZWSG-SECBINFHSA-N 284.109 1.887 0 50 CDAA in-vitro CCC(CC)C(=O)N[C@@H](C)c1nnnn1C1CC1 242106278 WIIUXWOUMULDRP-QMMMGPOBSA-N 251.334 1.621 0 50 CDAA COc1ccc(C[C@@H](C)N[C@@H]2CCCCNC2=O)cc1 4989280 WWPLVGJTGXDBAY-IUODEOHRSA-N 276.380 1.885 0 50 CDAA C[C@@H](C(=O)N1CCCC1)N1CC[C@@H](CN2CCCC2)C1 229817351 PVMAIUVXOSIZLQ-GJZGRUSLSA-N 279.428 1.415 0 50 CDAA NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 968999 ZAWGHGDNVXQOKU-IZZDOVSWSA-N 292.316 1.410 0 50 CDAA O=C(c1onc2ncccc12)N1CCc2nocc2C1 1775977425 JBBAMNDEMBWKJY-UHFFFAOYSA-N 270.248 1.409 0 50 CDAA O=C(NCc1n[nH]c2c1CCC2)c1onc2ncccc12 1775976991 DZZKOQGWKQYIHN-UHFFFAOYSA-N 283.291 1.365 0 50 CDAA Cn1nnc2cc(-n3ccnc3-c3cnc[nH]3)ccc21 1772819660 YRYWQLGZTHQJGA-UHFFFAOYSA-N 265.280 1.544 0 50 CDAA CCc1noc(C)c1C(=O)NCc1[nH]nc2ncccc12 1772806575 BJEKZBYOGILRLQ-UHFFFAOYSA-N 285.307 1.747 0 50 CDAA OCc1ccc(OCCCN2CCOCC2)cc1 20653548 ZLWFZHDKMLBVQD-UHFFFAOYSA-N 251.326 1.280 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)cn1 12192158 MFEXJNBFOKSMKJ-ZDUSSCGKSA-N 289.379 1.767 0 50 CDAA OC[C@@H]1CCCN(c2ncc(Br)cn2)C1 16678731 OXGIOCSHKYSFOC-MRVPVSSYSA-N 272.146 1.448 0 50 CDAA O=C(NCc1ccoc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169298786 SGWSACQEQBEJCG-FIQHERPVSA-N 261.277 1.419 0 50 CDAA Cc1ccc2ncnc(N3CCC[C@@]4(CCNC4)C3)c2n1 1857672232 DFHDGNNLWMYFKC-INIZCTEOSA-N 283.379 1.913 0 50 CDAA O=C(Cc1c(F)cccc1Cl)N1CCOCC1 614956 XOXQYXHAXHHCFZ-UHFFFAOYSA-N 257.692 1.880 0 50 CDAA Cc1c(-c2cccs2)[nH][nH]c1=NC(=O)[C@H]1CCCO1 1875246836 BJSWNKBURJKXNZ-SECBINFHSA-N 277.349 1.986 0 50 CDAA Cc1ccc(O)c(CNC2CCN(C(=O)C(C)C)CC2)n1 112716579 CSYQAWHMUUQNTG-UHFFFAOYSA-N 291.395 1.832 0 50 CDAA N[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 237926868 QQHHAUJFCJZCOY-CYBMUJFWSA-N 260.337 1.649 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(Cc2cc(F)cc(F)c2)C1 34925779 AQJCRGUHSRBSGR-MRVPVSSYSA-N 255.220 1.398 0 50 CDAA in-vitro C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cnn(C)c2)ns1 900799398 YCUFGWPHMOKBQU-XPUUQOCRSA-N 263.326 1.533 0 50 CDAA COC[C@H](OC)c1noc(-c2cccc(F)c2O)n1 904095629 GQLVMHWQPQPCQN-VIFPVBQESA-N 268.244 1.915 0 50 CDAA O=S(=O)(c1ccco1)N1CCC[C@H]1c1ncccn1 907338171 ZTNWIJMPDJZNGS-JTQLQIEISA-N 279.321 1.595 0 50 CDAA O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 907654284 APYDKFHFMYEFAB-DMTFCMGNSA-N 291.347 1.122 0 50 CDAA CC1(OCC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)CCC1 907943900 GGMXQTXVZNFAAW-WHOHXGKFSA-N 281.352 1.561 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)N(C)CC(C)C 912273200 BKUSNUVUUJQJIW-MRXNPFEDSA-N 276.380 1.910 0 50 CDAA O=C1OC[C@H](COC(=O)c2cc3c([nH]2)CCCC3)O1 838362424 IUZDCAAAFACOOP-VIFPVBQESA-N 265.265 1.586 0 50 CDAA CC(C)(C)OC(=O)NC[C@H](C(=O)O)[C@H]1CCOC1 950756210 XSAYCMQVRXBLTE-IUCAKERBSA-N 259.302 1.248 0 50 CDAA CC[C@@H](C)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 11871589 GXZATVOZJBKBGI-QMTHXVAHSA-N 267.373 1.343 0 50 CDAA CC[C@H](CSC)Nc1nc(N)nc(C(F)F)n1 872503029 TVRMEUZCCAVMAD-RXMQYKEDSA-N 263.317 1.945 0 50 CDAA Cc1nonc1CNC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C 873283847 KSJBNZVWXANAED-CMPLNLGQSA-N 293.371 1.146 0 50 CDAA Cc1noc(C)c1[C@H](C)NC(=O)N1CCN2CCC1CC2 952845197 FAWOWGGJTHFWKI-JTQLQIEISA-N 292.383 1.842 0 50 CDAA CCCC(=O)NS(=O)(=O)c1cc(F)ccc1C 1875257532 AYXIHRLLIDWCER-UHFFFAOYSA-N 259.302 1.739 0 50 CDAA c1ccc(-c2nnn(Cc3noc(N4CCCC4)n3)n2)cc1 1875291806 MADUOVDCHMKIKP-UHFFFAOYSA-N 297.322 1.372 0 50 CDAA COc1cccc([C@H](C)C(=O)N2C[C@@H](CO)C[C@@H]2CO)c1 1875273545 IFNYRBCPOWNENS-SGMGOOAPSA-N 293.363 1.000 0 50 CDAA Cc1noc([C@H]2CCN(c3ncnc4[nH]cnc34)C2)n1 1875275740 FIDAPZSWDRMGQD-QMMMGPOBSA-N 271.284 1.038 0 50 CDAA CC(C)(O)[C@H](O)CN1CCO[C@@H](c2cccc(F)c2)C1 1875276467 MPNVXAJJNJFRHX-ZIAGYGMSSA-N 283.343 1.331 0 50 CDAA C[C@H](CC(=O)O)NC(=O)C1CCC2(CCNC2)CC1 1875279797 DYCSHTXYLBUYJZ-CDWSIMAYSA-N 268.357 1.136 0 50 CDAA [O-][n+]1ccnc(NCc2ccnc(N3CCCCC3)c2)c1 1875274917 RUUZYROCABVGIP-UHFFFAOYSA-N 285.351 1.712 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]21 1875339705 UUNNSCRTVFCVBH-YNEHKIRRSA-N 259.305 1.869 0 50 CDAA C=CC(=O)NCC(=O)N1CC[C@@](C)(c2ccc(F)cc2)C1 1875302797 HTLBPKVHYWJVSN-MRXNPFEDSA-N 290.338 1.618 0 50 CDAA C[C@H]1COCC[C@H]1C(=O)N=c1[nH]oc2c1CCCCC2 1875302996 QIFNBEAPDIUYJZ-WDEREUQCSA-N 278.352 1.977 0 50 CDAA c1ccc([C@H]2[C@H]3C[C@H]3CN2CCc2nn[nH]n2)cc1 1875329529 BCPYKOPIMRSZQP-OBJOEFQTSA-N 255.325 1.435 0 50 CDAA CC(C)C[C@H]1NC(=O)C[C@@H]2Cc3ccccc3CN2C1=O 1875311318 ULEYQABAHMXMPL-LSDHHAIUSA-N 286.375 1.875 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CN(C)C[C@H]1C 257365990 FKGJHZJSEDWKHW-ZYHUDNBSSA-N 286.372 1.363 0 50 CDAA O=C(CCCc1ccccc1)N1C[C@H](O)[C@@H](F)C1 1615750754 ORKYQMJPKQJZJS-STQMWFEESA-N 251.301 1.551 0 50 CDAA CNC1=NC(=O)C(c2ccccc2)(c2ccccc2)N1 29544484 BGAXBVYQJWKXBB-UHFFFAOYSA-N 265.316 1.635 0 50 CDAA O=C(OCc1nc(O)n[nH]1)c1nc(C2CC2)n2ccccc12 2325723201 IJXNXSKDVURXJR-UHFFFAOYSA-N 299.290 1.392 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCc3ncccc3C2)n[nH]1 2325774776 RMCWNUVDJBGRBK-NSHDSACASA-N 256.309 1.400 0 50 CDAA N[C@@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccns1 2325829488 KYXZTBNXRCRKEG-BXKDBHETSA-N 297.380 1.246 0 50 CDAA COC[C@@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C 30985 APWGJZFMESDRMA-GFCCVEGCSA-N 271.382 1.925 0 50 CDAA CC(C)(C)C(=O)CN1C(=O)C2(OCCO2)c2ccccc21 62107 MNPZLRXLBGZPCI-UHFFFAOYSA-N 289.331 1.848 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)O)C2)cc1 287846 HIMLZRXNJNAMFK-VXGBXAGGSA-N 297.376 1.917 0 50 CDAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1OC 310643 BTDMUNXUNQXZSL-LLVKDONJSA-N 275.304 1.746 0 50 CDAA Cc1cc(F)ccc1NC(=O)c1nc2ncccn2n1 338985 XWTDCJWHURKKGX-UHFFFAOYSA-N 271.255 1.824 0 50 CDAA Cc1c(C(=O)NN2CCOCC2)oc2ccccc12 1055672 MWSUXSKFIRIHEH-UHFFFAOYSA-N 260.293 1.718 0 50 CDAA C[C@@H]1CN(C2CC2)CCN1c1ccc(S(C)(=O)=O)cn1 2356140411 HYJVTTCSLUENGP-LLVKDONJSA-N 295.408 1.158 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)s1 2772522 LZMSPJFUNFTFCQ-JGVFFNPUSA-N 269.326 1.676 0 50 CDAA COC(=O)[C@@H]1CC12CCN(Cc1cnsc1)CC2 2356152978 LBCLWHOJHQYPEA-NSHDSACASA-N 266.366 1.918 0 50 CDAA COC(=O)c1c(N)n(C)c2nc3ccccc3nc12 4840145 PQGZSZDTPCEXEL-UHFFFAOYSA-N 256.265 1.490 0 50 CDAA COC(=O)CCCCC[C@@H](CCC(=O)OC)NC(C)=O 4956313 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1.088 0 50 CDAA O=C(c1ccc(Br)o1)N1C[C@@H](F)C[C@H]1CO 334628478 QPGJWRAWFSUWAD-BQBZGAKWSA-N 292.104 1.587 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2ncc(Cl)cc2Cl)C1 344701148 DHYNZZMDQGPAOY-VHSXEESVSA-N 291.178 1.970 0 50 CDAA CCOC(=O)C1CCN(c2cccc(C=O)n2)CC1 675067903 LNXZRKFADLCSSB-UHFFFAOYSA-N 262.309 1.674 0 50 CDAA C=CC(=O)Nc1ccc(N2CCOCC2)c(CO)c1 1772718359 QKJUTBXBQOPQBO-UHFFFAOYSA-N 262.309 1.140 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(Br)o3)C[C@H]12 248584401 FXOWRZULMKWGHY-XHNCKOQMSA-N 299.168 1.851 0 50 CDAA CCCc1nnc(SCC(=O)Nc2ccccc2)n1N 5554949 KZXUJSGYPYQRSY-UHFFFAOYSA-N 291.380 1.675 0 50 CDAA CN(C)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O 11873108 UEEMUPUBCKVOJG-OAHLLOKOSA-N 280.343 1.241 0 50 CDAA CCS(=O)(=O)N1CCN(c2ccc(C)cc2)[C@@H](C)C1 16552213 XIPXSXVJTZZYEC-ZDUSSCGKSA-N 282.409 1.855 0 50 CDAA CCOc1ccc(CN2CCNC[C@H]2CCO)cc1 19860708 QIHCCUFYBADKBX-CQSZACIVSA-N 264.369 1.242 0 50 CDAA O[C@H]1CN(c2ccnc3[nH]ncc23)C[C@H]1Cc1ccncc1 1857719374 KYODDRREOCHACA-DOMZBBRYSA-N 295.346 1.393 0 50 CDAA Cc1cccc(NC(=O)[C@H]2CCCN([C@@H](C)C(=O)O)C2)n1 237485403 UEMXGWKMQDYYLQ-RYUDHWBXSA-N 291.351 1.514 0 50 CDAA C[C@H](CC1CCCC1)C(=O)NCCn1cnccc1=O 521396400 USILMNRGNFZWCL-GFCCVEGCSA-N 277.368 1.576 0 50 CDAA CC(C)c1n[nH]c(=NC(=O)c2cc3n(n2)CCCC3)s1 333265269 GTGVUQGUADLXLS-UHFFFAOYSA-N 291.380 1.869 0 50 CDAA N[C@H]1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 237848816 DGABYGNNOFDJOF-ZFWWWQNUSA-N 290.363 1.418 0 50 CDAA COC(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 12359470 RQDZKOOUQIDZOG-ZETCQYMHSA-N 265.256 1.804 0 50 CDAA in-vitro COc1cc(NC(=O)NCC2(O)CCC(C)CC2)nn1C 666760381 ZBRCRIMMDCXUJP-UHFFFAOYSA-N 296.371 1.491 0 50 CDAA O=C1C[C@H](C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CN1 135192558 GOYFVYKNJINREB-STQMWFEESA-N 290.338 1.353 0 50 CDAA COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCNC1 22013901 HKYHGXQKYQHGFW-UWVGGRQHSA-N 272.345 1.052 0 50 CDAA in-vitro C[C@@H]1CN(C(=O)C[C@@H](C)c2ccncc2)C[C@@H](C)N1 154141388 OVJBBFJMLBVGIF-JHJVBQTASA-N 261.369 1.784 0 50 CDAA CN[C@@H](C(=O)NCCc1ccc(F)cc1)c1cnn(C)c1 262021819 DAHYKFJEERWGBQ-CQSZACIVSA-N 290.342 1.179 0 50 CDAA O=C(Nc1cnn2ccccc12)N[C@H]1CCc2ncnn2C1 585119748 SBGCKMPHWIXLEO-JTQLQIEISA-N 297.322 1.062 0 50 CDAA CCc1nnc2ccc(NCCN3CCCCCC3)nn12 267223509 OMAJAYZIJVATSQ-UHFFFAOYSA-N 288.399 1.975 0 50 CDAA CCC(CC)(CO)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907956627 HIIRDTYRHYDTEO-FIQHERPVSA-N 283.368 1.401 0 50 CDAA Cc1ccc(CNC(=O)[C@]23CNC[C@H]2CCOC3)cc1 911968804 DKEWJELXIYRVQS-ZBFHGGJFSA-N 274.364 1.237 0 50 CDAA O=C(Nc1cncc(Cl)c1)N1CCN2CCOC[C@@H]2C1 932116766 LLAFMBSZXJUUND-LBPRGKRZSA-N 296.758 1.283 0 50 CDAA COC[C@H]1CCCN(C(=O)c2c[nH]nc2C(F)(F)F)C1 1853270876 PBFHPMDAYWPRGB-QMMMGPOBSA-N 291.273 1.927 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@@H](CO)c3cccnc3)c2c1 1162286810 XUUGETMBLPUMRR-AWEZNQCLSA-N 296.330 1.501 0 50 CDAA CC[C@@H](O)CN1CCc2nnc(-c3ccncc3)cc2C1 952895615 YMIOWBJQWWTWPT-CQSZACIVSA-N 284.363 1.668 0 50 CDAA Cc1ccc([C@H]2C[C@H]2C(=O)NS(C)(=O)=O)cc1C 1875390940 FRHQRZBDJBKPSG-VXGBXAGGSA-N 267.350 1.483 0 50 CDAA CO[C@@]1(c2nnc(-c3conc3C3CC3)o2)CCOC1 886086399 UHKDADHZOJRHNZ-ZDUSSCGKSA-N 277.280 1.864 0 50 CDAA C[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc2c(c1)COC2 886097405 YXAVDDPGLGSOTP-IAOMBJDPSA-N 299.374 1.938 0 50 CDAA O=C(NC1(c2ncccn2)CCOCC1)[C@H]1CC=CCC1 886936345 UVGZGHGTLQEJQM-ZDUSSCGKSA-N 287.363 1.955 0 50 CDAA C=CC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 1776000155 GFKIDODJGZYZKE-ZDUSSCGKSA-N 258.321 1.132 0 50 CDAA O=C(c1cc(C2CC2)on1)N1CC[C@H]2CC[C@@H](C1)N2 252551874 UIQGQKLHEUDQSV-MNOVXSKESA-N 261.325 1.519 0 50 CDAA O=C(Cc1ccc2c(c1)CCC2)N[C@H]1C[C@@H](C(=O)O)C1 262835645 CAJGPDOEIKDYSD-OKILXGFUSA-N 273.332 1.697 0 50 CDAA CCc1ccccc1C(=O)N1CCOC[C@H]1CC(=O)O 161761175 QGABGXCPXMXTEB-GFCCVEGCSA-N 277.320 1.565 0 50 CDAA CNc1ncccc1C(=O)NCc1oc(C)nc1C 311782469 PDQRRMLWWGFBIU-UHFFFAOYSA-N 260.297 1.658 0 50 CDAA CCOc1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1 52324 UADRULWGTXCBKG-LBPRGKRZSA-N 294.376 1.646 0 50 CDAA CCC(=O)NCC(=O)N(C)Cc1ccc(F)c(Cl)c1 2325739019 COIHNLPVFBCYPH-UHFFFAOYSA-N 286.734 1.964 0 50 CDAA O=C(Cn1nc(O)c2ccccc2c1=O)N(C1CC1)C1CC1 2325758698 UHSBAKBIHOAHFV-UHFFFAOYSA-N 299.330 1.256 0 50 CDAA CC(C)[C@@]1(O)Oc2c(ccc3c2CO[C@@](C)(O)C3)C1=O 2332924304 BPYDTNLWWSASIQ-HUUCEWRRSA-N 278.304 1.388 0 50 CDAA CCSc1nnc(NC(=O)c2cnccn2)s1 204742 CMFHVQJIJCYAEI-UHFFFAOYSA-N 267.339 1.692 0 50 CDAA CCN(CCN1C(=O)CCC1=O)c1cccc(C)c1 401850 SNLLVPIXRHTWRC-UHFFFAOYSA-N 260.337 1.970 0 50 CDAA CCCOc1ccc([C@H](N)CC(=O)O)cc1OC 2390815 SNUPQGVALNOUFX-SNVBAGLBSA-N 253.298 1.959 0 50 CDAA COC(=O)c1ccc(CSc2nnc(N)s2)o1 3513205 QBHHPIXXEHGBGO-UHFFFAOYSA-N 271.323 1.792 0 50 CDAA Cc1ccc(Cl)cc1N(CC(=O)O)S(C)(=O)=O 4982882 KZFDQAGVVPBQRW-UHFFFAOYSA-N 277.729 1.499 0 50 CDAA CCc1nnc(SCC(=O)Nc2nccs2)n1C 6698784 MQSFSELOOPWJRP-UHFFFAOYSA-N 283.382 1.565 0 50 CDAA c1cncc(-c2n[nH]cc2CN[C@H]2CCCNC2)c1 414860793 DNYVAQAENLFAJX-ZDUSSCGKSA-N 257.341 1.313 0 50 CDAA COc1ccccc1CCC(=O)N1C[C@H]2CCN(C)[C@H]2C1 1074566451 LOPCUYRUNGAEIX-CABCVRRESA-N 288.391 1.790 0 50 CDAA Cc1cc(C(=O)NCCCC2(O)CCC2)ns1 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C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCCC[C@H]1CO 305676424 JLULELUJERHVGE-VOAKCMCISA-N 255.358 1.469 0 50 CDAA Cc1nn(C)cc1C(=O)NCc1cccc(NC(N)=O)c1 113152048 KBGGAVYVZRDFFY-UHFFFAOYSA-N 287.323 1.149 0 50 CDAA COC(=O)CNC(=O)c1ccc(CN2CCCCC2)o1 141550417 ZRQZLIVILYAWAV-UHFFFAOYSA-N 280.324 1.168 0 50 CDAA CC(C)(C)OC(=O)N1Cc2cccn2C[C@H](O)C1 306133336 MIQDTHRSKHBIRP-NSHDSACASA-N 252.314 1.600 0 50 CDAA CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 34442431 PGCNHGBQEYFZEX-WKPIXPDZSA-N 299.374 1.740 0 50 CDAA COC(=O)c1sc(I)cc1N 38540973 UCHQIMLGNJWRBI-UHFFFAOYSA-N 283.090 1.722 0 50 CDAA CC(C)c1cc(C(=O)N[C@H](CO)Cc2ccccc2)n[nH]1 120514581 FBVDINHMEAAJGI-ZDUSSCGKSA-N 287.363 1.867 0 50 CDAA O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccn2ccnc2c1 152398497 RGYOGCNXAVYREN-UHFFFAOYSA-N 293.286 1.756 0 50 CDAA CCOP(=O)(OCC)C(Cl)(Cl)C(N)=O 71772743 QITWWKFQWFZVGS-UHFFFAOYSA-N 264.045 1.869 0 50 CDAA C/C(=C\C(=O)N1CCO[C@H](C(=O)O)C1)C(C)(C)C 328595265 PQHBHIRNADDJHW-PCYYEKQGSA-N 255.314 1.291 0 50 CDAA N=C(O)c1cnn2c1CC[C@H](CN[C@H]1CCSC1)C2 328626044 DTEQOXZNYGKXKC-ZJUUUORDSA-N 280.397 1.424 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCO[C@H](CN(C)CC2CC2)C1 328628604 HIXJDOCLSDUBBW-CQSZACIVSA-N 291.395 1.506 0 50 CDAA C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CCCS(=O)(=O)C1 328764038 OOTALTXSNWILEE-WDEREUQCSA-N 273.398 1.458 0 50 CDAA CN1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2 72469031 FXWYCLFSXAFXHJ-UHFFFAOYSA-N 290.363 1.982 0 50 CDAA CCOC1CN(C(=O)NC[C@H]2CCOC(C)(C)C2)C1 332488020 RGZFDSIMJYWCPN-NSHDSACASA-N 270.373 1.622 0 50 CDAA COC[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 127002004 UIPGAEQUTYNLKJ-ZDUSSCGKSA-N 273.329 1.735 0 50 CDAA NC(=O)c1ccc(N2CC[C@@H](O)c3ccccc3C2)nn1 374933132 XJWOKYWMDBJRGF-CYBMUJFWSA-N 284.319 1.019 0 50 CDAA Cc1ccn(-c2ccc(N3CCC[C@@](F)(CO)C3)nn2)n1 376187675 LPOZPBYHZDIHGQ-AWEZNQCLSA-N 291.330 1.272 0 50 CDAA CN1C(=O)CC[C@H](NC(=O)c2ccccc2C(F)F)C1=O 1537024984 JHOHJCZFWZNISC-JTQLQIEISA-N 296.273 1.501 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1c1nc2ccccc2[nH]1 284569423 OBWIUJYVXLOROS-QWRGUYRKSA-N 261.325 1.803 0 50 CDAA C[C@@H]1CCCCN1[C@H](C)CNC(=S)NC1CC1 241693936 QIXTWBPORUQHCJ-GHMZBOCLSA-N 255.431 1.876 0 50 CDAA CCn1ncc2[nH]c(-c3cccc(OCC(N)=O)c3)nc21 48130220 PRAYOBNSNDWLCO-UHFFFAOYSA-N 285.307 1.310 0 50 CDAA CO[C@H]1Cc2ccccc2N(CCN2CCNC2=O)C1 288561512 ABBQMBVIDCLLDQ-ZDUSSCGKSA-N 275.352 1.089 0 50 CDAA CC(C)(C)n1ccc(C(=O)N2CCO[C@H](C(=O)O)C2)c1 426477919 AQXHSBJHSROAEC-NSHDSACASA-N 280.324 1.169 0 50 CDAA CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](NC)C1 132827499 LHJSKJRXKJKNPT-QWHCGFSZSA-N 253.390 1.071 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(C(C)C)on1 220314165 QBONPZYLVQCKAB-PJQZNRQZSA-N 294.351 1.578 0 50 CDAA Cc1cc(CNC(=O)[C@H](O)c2ccc(F)cc2)ccn1 220125913 SVHJWQNRITWJNU-CQSZACIVSA-N 274.295 1.879 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 178269119 RIFYHTUDJOJJLE-TXXBHVLJSA-N 264.256 1.167 0 50 CDAA Cc1nc(C2CCN(C(=O)[C@@H](C)n3cccn3)CC2)n[nH]1 426537743 UDWYXMVDBKPUGP-SNVBAGLBSA-N 288.355 1.277 0 50 CDAA CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@@H]1CCNC1 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O=C(O)[C@@H]1C[C@@H](O)CN1Cc1cc2c(cc1Cl)OCO2 534669613 XTFRWOZVFKNHSX-SCZZXKLOSA-N 299.710 1.089 0 50 CDAA Cn1nccc1CSc1nnc([C@H]2CCCNC2)n1C 534582444 FREQCVIJQHLTBG-JTQLQIEISA-N 292.412 1.308 0 50 CDAA O=C(N[C@H]1CO[C@H](C2CC2)C1)c1nc[nH]c2nccc1-2 629121961 UREWDIGYGIJKCX-KOLCDFICSA-N 272.308 1.207 0 50 CDAA CCS(=O)(=O)NC[C@@H](C)NC1(c2ccc(C)cc2)CC1 534658230 INXYGEMOKYGDQN-CYBMUJFWSA-N 296.436 1.902 0 50 CDAA CC[C@@H](OC)C(=O)Nc1ccccc1CN1CCOCC1 299318637 DWVQKBGWCJSTQH-OAHLLOKOSA-N 292.379 1.882 0 50 CDAA Cc1nc2c([nH]1)CN(Cc1noc(C(C)C)n1)CC2 822285206 SILQWWVLRIQWJC-UHFFFAOYSA-N 261.329 1.783 0 50 CDAA CN1CCCN(CC(=O)NCCCC[C@H]2CCCO2)CC1 584899839 OBOXFFVECNZRTD-HNNXBMFYSA-N 297.443 1.089 0 50 CDAA COc1ccc2c(c1)C[C@H](NCCc1ncnn1C)CC2 584903489 GYXCZENSKMAUQM-CQSZACIVSA-N 286.379 1.513 0 50 CDAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[C@@H](N)C1 237624900 NFDRSTFMVGRXFE-CMPLNLGQSA-N 282.771 1.975 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)n(C)n1 670458600 RIRYQPBZMPYLID-GDNZZTSVSA-N 263.341 1.511 0 50 CDAA O=C1CC[C@H](CN2CCCN(C(=O)C3CCC3)CC2)O1 670467596 NUTRWENJSMOPMK-CYBMUJFWSA-N 280.368 1.026 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@H](O)CC1 670455677 MDLAWAFTZAOVFZ-NSHDSACASA-N 263.341 1.583 0 50 CDAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)[C@@H]1C[C@H]2CC[C@H]1C2 685939779 CCFCDBREPVNJKP-UWGWRVQFSA-N 263.381 1.946 0 50 CDAA CCn1cc(CN(C)[C@@H]2Cc3ccccc3[C@H]2O)cn1 241774131 RNHQKNQMJUQKCG-HZPDHXFCSA-N 271.364 1.993 0 50 CDAA Cc1cccc(CNCCN2CCCC[C@@H]2CO)n1 952976182 MTLLPRYBVVWULZ-OAHLLOKOSA-N 263.385 1.326 0 50 CDAA N[C@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@@H]1O 1565508538 GKLXSCGMMZKLNC-RYUDHWBXSA-N 292.276 1.738 0 50 CDAA CC[C@@H](NC(=O)c1onc2ccccc12)C(=O)NC 1469060616 LSTHBQOCCLAVRX-SECBINFHSA-N 261.281 1.082 0 50 CDAA C[C@@H](CN(C)C(=O)c1ccn(C2CCOCC2)n1)C(=O)O 630136276 YWMVSWRXNDJOHC-JTQLQIEISA-N 295.339 1.027 0 50 CDAA CN(C)C(=O)[C@H]1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 166849396 LSKOADYNXKBDTP-HBNTYKKESA-N 286.372 1.129 0 50 CDAA in-vitro CCn1cc(CNC[C@@H]2CCO[C@H]2c2ccnn2C)cn1 275500425 JNYQSXXCULBGRX-DZGCQCFKSA-N 289.383 1.504 0 50 CDAA CCOc1ccc(CN2C(=O)N[C@@H](C)C2=O)cc1C 170592544 DKEJLGOMOUTTET-JTQLQIEISA-N 262.309 1.834 0 50 CDAA CCNC(=O)CNc1nc(-c2cccc(OC)c2)no1 170602196 USCIYUKYIYGKDJ-UHFFFAOYSA-N 276.296 1.293 0 50 CDAA Cc1ccc2c(n1)OCCN2S(=O)(=O)c1ccc(C)o1 408099561 MHDAZDIZEZDOCQ-UHFFFAOYSA-N 294.332 1.879 0 50 CDAA CCCc1noc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)n1 643859821 RHQNZAAVMBGKDQ-MNOVXSKESA-N 291.355 1.707 0 50 CDAA O=C(CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21)NCC1CC1 246781498 HLGIJXOARVOQNF-UPJWGTAASA-N 280.368 1.230 0 50 CDAA OCc1cc(N2CCO[C@H]([C@H]3CCCO3)C2)ncc1F 663709721 QWPBUELKDVKHFR-OLZOCXBDSA-N 282.315 1.097 0 50 CDAA Cc1ccncc1CC(=O)N1CC[C@@H](N2CCCC2)C1 668008763 CILGYZVRKNSCAI-OAHLLOKOSA-N 273.380 1.629 0 50 CDAA CN(C(=O)COC[C@H]1CCCO1)c1cccc(Cl)n1 585088815 ACMFUWXHABZNQB-SNVBAGLBSA-N 284.743 1.893 0 50 CDAA CC(C)(C)OC(=O)CCC(=O)N1CCn2ccnc21 585122488 PLFBYYJBKQOQGM-UHFFFAOYSA-N 265.313 1.352 0 50 CDAA C[C@@H]1C[C@H](C(=O)NCC2CS(=O)(=O)C2)CC(C)(C)C1 585130309 MSWULFWYCBIGQA-PWSUYJOCSA-N 287.425 1.610 0 50 CDAA Cc1cc(NC(=O)[C@@H]2NCCOc3ccccc32)nn1C 1615553293 IHLRVSFPOXBNAX-CQSZACIVSA-N 286.335 1.390 0 50 CDAA CCCc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)cc1 952873739 ZQDXXYXJAUNISK-CHWSQXEVSA-N 287.356 1.342 0 50 CDAA CCC(C)(C)CN1CC[C@H](N2CCCS2(=O)=O)C1 1875273911 FNPXEYDDONIDLP-LBPRGKRZSA-N 274.430 1.532 0 50 CDAA COc1ccc(NC(=O)N2CCOCC2)c(OC)c1 318650 JDLYSHGYGBCULY-UHFFFAOYSA-N 266.297 1.568 0 50 CDAA O=C(Nc1nncs1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 222243332 ITKCCXPWRNSEHE-DKXJUACHSA-N 267.310 1.224 0 50 CDAA Cc1nn2c(=O)/c(=C/C=C/c3ccccc3)sc2nc1=O 208424 WAFFGSBUPRZHQJ-VQDMZCOGSA-N 297.339 1.032 0 50 CDAA Nc1nc(NCc2nc3ccc(F)cc3[nH]2)cc2nncn12 1529118965 QSVDEWYNUNIFGX-UHFFFAOYSA-N 298.285 1.334 0 50 CDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccoc3)C[C@@H]12 1704303721 OCCOLCGMGZJIFA-DOMZBBRYSA-N 292.335 1.291 0 50 CDAA O=C(O)C1(C(=O)N2CCO[C@H](c3ccco3)C2)CC1 119006916 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Cn1ncnc1N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952851007 RLXUWNWVXMOHNJ-NEPJUHHUSA-N 299.382 1.441 0 50 CDAA COC(=O)/C=C/CNC(=O)c1scnc1C(C)(C)C 1875273348 RBILORHFSHNXGY-AATRIKPKSA-N 282.365 1.900 0 50 CDAA CC1(C)CO[C@H](C(=O)OCc2nc(C3CCC3)no2)CO1 1875328981 WDVVRXZQLOJZQO-JTQLQIEISA-N 296.323 1.574 0 50 CDAA C[C@@H]1C[C@H]1CN1C(=O)CN(Cc2cccc(F)n2)C1=O 1875308247 VYJRMBVVZHPTHZ-ZJUUUORDSA-N 277.299 1.641 0 50 CDAA O=C(C[C@@H]1C=CCCC1)N1CC(c2cc(CO)on2)C1 886086323 SVJZEVMTALISEF-LLVKDONJSA-N 276.336 1.839 0 50 CDAA Cc1cnc(N2CCC[C@@H]2c2ccc(N)nn2)nc1C 886086001 PCDVNGHIFQCUQL-GFCCVEGCSA-N 270.340 1.807 0 50 CDAA O=C(COC[C@H]1CCCO1)Nc1n[nH]c(C2CCCC2)n1 1775987452 ZPPVJSIOQYXROY-LLVKDONJSA-N 294.355 1.596 0 50 CDAA COCCc1cc(=O)nc(-c2ccc(CN(C)C)cc2)[nH]1 1776003822 IAUAKTKJSGKIHF-UHFFFAOYSA-N 287.363 1.687 0 50 CDAA NC1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CCCCC1 261616214 TZOIBMWPNIDVTI-NSHDSACASA-N 280.290 1.174 0 50 CDAA CCCO[C@H]1CCCN(C(=O)c2cccc(N)n2)C1 51072414 RNFJSDLBWPJVAN-NSHDSACASA-N 263.341 1.695 0 50 CDAA OC[C@H]1COCCN(Cc2c(Cl)cncc2Cl)C1 77408208 WBCBAOMNWOOMHJ-VIFPVBQESA-N 291.178 1.829 0 50 CDAA C[C@@H]1CCCN(C(=O)COc2cccc(F)c2)[C@H]1CN 408519273 YUGBOCYKIZGLCF-RISCZKNCSA-N 280.343 1.790 0 50 CDAA Cc1noc(C)c1C(=O)N(CCC(=O)O)CC1CC1 671667083 YMPIXSSSBYGGNK-UHFFFAOYSA-N 266.297 1.618 0 50 CDAA O=C(N[C@H](C(=O)O)C1CC1)c1cc(O)ccc1F 426737576 XDIZIBZWEDZFDE-JTQLQIEISA-N 253.229 1.124 0 50 CDAA CC1(CNC(=O)c2cnn([C@@H]3CCCNC3)c2)CC1 333813585 JRXVZIKIAFCWME-GFCCVEGCSA-N 262.357 1.338 0 50 CDAA C[C@H]1COC(C)(C)CN1C(=O)c1ccnc(O)c1 336303919 ZJKKYGZLYYGVNV-VIFPVBQESA-N 250.298 1.427 0 50 CDAA O=S(=O)(c1cccc(F)c1)N1CCCCCO1 390833635 KQWBNOHCVXOHQB-UHFFFAOYSA-N 259.302 1.932 0 50 CDAA O=c1c2sccc2ncn1CCC1(O)CCC1 396912908 LLKQVAUMYXGHOE-UHFFFAOYSA-N 250.323 1.763 0 50 CDAA CC(C)(CCNC(=O)c1ncoc1C(F)(F)F)C(=O)O 888098901 QICOBGDLQUUOGF-UHFFFAOYSA-N 294.229 1.924 0 50 CDAA CCS(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 116663 DLPZUDWLUFDGAE-UHFFFAOYSA-N 295.364 1.300 0 50 CDAA c1cncc(-c2n[nH]c(=NCc3cc[nH]n3)s2)c1 2325824865 UBNQKHFUKILACD-UHFFFAOYSA-N 258.310 1.357 0 50 CDAA O=C1CC[C@@H]2CN(C3=NCCN3Cc3ccccc3)CCN12 2325842134 PEXWTZKOUCNMCR-OAHLLOKOSA-N 298.390 1.165 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)O)c2)C[C@@H](C)O1 60881 SHIDBEVAWHWDFA-AOOOYVTPSA-N 299.348 1.183 0 50 CDAA Nc1c(N2CCCCC2)cnn(-c2ccccc2)c1=O 210341 QCRNAVDSWAHYEO-UHFFFAOYSA-N 270.336 1.805 0 50 CDAA CCOC(=O)[C@@H]1CC(=O)Nc2cc(OC)c(OC)cc21 227000 NMBUKHHVRYVFLL-SECBINFHSA-N 279.292 1.693 0 50 CDAA S=C(Nc1ccc2nccnc2c1)N1CCOCC1 303162 XKPWFZHEJDFIOG-UHFFFAOYSA-N 274.349 1.659 0 50 CDAA CCN(CC)C(=O)CSc1nnc(NC(C)=O)s1 309170 SBXMVBCVEJTPOW-UHFFFAOYSA-N 288.398 1.457 0 50 CDAA O=C(O)C(Nc1ccc(Br)cc1)C(=O)O 392982 LLJBZPPQIPNGNX-UHFFFAOYSA-N 274.070 1.399 0 50 CDAA COc1nccn2c(-c3ccc(CO)cc3)cnc12 2356143631 QGOITZOBGMEOAM-UHFFFAOYSA-N 255.277 1.897 0 50 CDAA COC(=O)c1sccc1NC(=O)c1ccnn1C 2746672 QLSKSZZXPUHOHM-UHFFFAOYSA-N 265.294 1.521 0 50 CDAA Cc1ccc(OCCOCCN(C)CCO)c(Cl)c1 2980665 IDQDOPFLCJZPPD-UHFFFAOYSA-N 287.787 1.968 0 50 CDAA CCCC(=O)Nc1ccc(S(=O)(=O)NCC)cc1 4537688 MKKFTLWLUQHSOY-UHFFFAOYSA-N 270.354 1.723 0 50 CDAA Cc1ccccc1CNCCSc1nnnn1C 4998035 LFVSLUDGRPCVKH-UHFFFAOYSA-N 263.370 1.400 0 50 CDAA CCC(=O)Nc1cccc(OCC(=O)N[C@@H](CC)CO)c1 55245531 DSIKYBDTEGHXGL-NSHDSACASA-N 294.351 1.301 0 50 CDAA COCC[C@@H](NC(=O)[C@H]1CCOc2ccccc21)C(=O)O 111185655 SINVMIZPOLOBBZ-NWDGAFQWSA-N 293.319 1.159 0 50 CDAA C[C@@H]1OCCN(CCCN2CCO[C@H](C)[C@@H]2C)[C@@H]1C 139280371 XVCHFYDJCOZHCD-PYHGIMPFSA-N 270.417 1.595 0 50 CDAA COC[C@H]1[C@@H](NC(=O)Cc2cccs2)[C@H]2CCO[C@H]21 1074567156 WFNNJUISDDUSOB-UVLXDEKHSA-N 281.377 1.457 0 50 CDAA CC[C@H](CO)N(Cc1cccnc1)Cc1nccn1C 55037056 UNXOTGZXQOCQTC-CQSZACIVSA-N 274.368 1.588 0 50 CDAA Cc1n[nH]c(C)c1Cc1nc(CC2CCN(C)CC2)no1 67649982 BGBNUCVJMHRADE-UHFFFAOYSA-N 289.383 1.885 0 50 CDAA C[C@H](Cn1cncn1)NCc1nncn1C1CCCCC1 67867590 NVKYCAWNSFJMQI-GFCCVEGCSA-N 289.387 1.553 0 50 CDAA COc1cccc([C@@H](C)N(C)C(=O)CN2CCOC2=O)c1 67847166 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1.236 0 50 CDAA Cc1ccc(-c2n[nH]cc2CN2CCNC[C@@H](O)C2)cc1 97744679 GQPCRQHBUISWGN-OAHLLOKOSA-N 286.379 1.151 0 50 CDAA Cc1cnc2nc(C(=O)N[C@]3(C)CC=CCC3)nn2c1 616244101 FXKCLHHQSGCSME-CQSZACIVSA-N 271.324 1.661 0 50 CDAA C[C@@H](C(=O)N(C)Cc1n[nH]c2c1CCC2)n1cccn1 426563451 NMPPQWCKWVEZGK-JTQLQIEISA-N 273.340 1.315 0 50 CDAA COc1ccc([C@]2(C(=O)NCCN)CC2(C)C)cc1 96142239 XHHBWYYOIYYCIO-HNNXBMFYSA-N 262.353 1.438 0 50 CDAA O=C(C1CCN(c2nc(CO)cs2)CC1)N1CCCC1 95358084 SLULQITYCCJXQA-UHFFFAOYSA-N 295.408 1.474 0 50 CDAA CCOC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1 95742892 JOOLXBLTNBWCNP-HBNTYKKESA-N 287.356 1.604 0 50 CDAA COCCN1CCC[C@@H](c2n[nH]c(C3CCOCC3)n2)C1 97694610 FJKZAPYBQSTJGE-CYBMUJFWSA-N 294.399 1.525 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@H](C)[C@@H]2CN)no1 237700898 ZYIJMTGPRUDYCY-CABZTGNLSA-N 251.330 1.111 0 50 CDAA CCc1ccc(CN(C)CCC(=O)NC2CC2)nc1 244633139 FXJJPECVKDOAOZ-UHFFFAOYSA-N 261.369 1.745 0 50 CDAA Cc1nnc(CN(C)CCN2CCCC[C@H]2C)o1 252483256 DYBHNXWERIOSOX-LLVKDONJSA-N 252.362 1.684 0 50 CDAA CN(C(=O)CCc1nncn1-c1ccccc1)[C@@H]1CCNC1 299739489 PAIQFCGQYZHTNA-CQSZACIVSA-N 299.378 1.020 0 50 CDAA Cc1ccc(C(=O)N2CCO[C@H]3CNC[C@H]32)cc1C 299741188 DLYFDICLYRSCNJ-KGLIPLIRSA-N 260.337 1.116 0 50 CDAA COc1ccc(CCNC(=O)N2CC[C@H](CO)C2)cc1 265980182 WDZVYVVOFWWFSP-ZDUSSCGKSA-N 278.352 1.262 0 50 CDAA CCN1CCC(CNc2cnccn2)(N(C)C)CC1 534658200 RAQLIIUQVIKHNA-UHFFFAOYSA-N 263.389 1.305 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)C[C@@H]2CCOC2)cc1 351512641 HNCHLPPEKTVJED-ZDUSSCGKSA-N 290.363 1.431 0 50 CDAA O=C(O)C[C@]1(NC(=O)c2ccc(Cl)o2)CCOC1 262966477 MLQMTXOAVMTFAD-LLVKDONJSA-N 273.672 1.297 0 50 CDAA C[C@@H](C(=O)NCCc1ncc[nH]1)N(C)C1CCCCC1 534674668 RZYCXLQAHZFLMC-LBPRGKRZSA-N 278.400 1.721 0 50 CDAA CC[C@H](NC(=O)CCc1cn[nH]c1)c1ncnn1CC 534593155 RLPWHYIEKKKVAO-NSHDSACASA-N 276.344 1.221 0 50 CDAA CN(CCN1CCCC1)C(=O)[C@]1(C)CCCCO1 457533261 RGXUULIVDKTXLA-AWEZNQCLSA-N 254.374 1.500 0 50 CDAA Cc1nnc(CN(C)C(=O)c2ccc3ccn(C)c3n2)o1 1940197263 DKEGHKAQDIACBH-UHFFFAOYSA-N 285.307 1.537 0 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O=C(CSCc1ccc(F)cc1)N1CCOCC1 262635 VHLBJPMXHJVUMB-UHFFFAOYSA-N 269.341 1.918 0 50 CDAA Cc1nn(CCO)c(C)c1CN1CC[C@@H](O)CC(C)(C)C1 670441045 PDFYIXHOFVHSBW-CQSZACIVSA-N 295.427 1.475 0 50 CDAA CCc1cnc2[nH]cnc(NCCc3nccn3C)c1-2 1337680080 TUDAWPVYGKLEDV-UHFFFAOYSA-N 270.340 1.860 0 50 CDAA CCS(=O)(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 952870392 ZBNBVFXUYAOPFH-ZDUSSCGKSA-N 284.381 1.412 0 50 CDAA CN(C(=O)CC1CC1)c1ccc(N2CCOCC2)nc1 273458862 ZNSSZFCMVVNOHI-UHFFFAOYSA-N 275.352 1.681 0 50 CDAA O=C(NCCc1csc2ccccc12)[C@H]1C[C@@H](O)CN1 276644304 MXBMYVXKGHDIIU-DGCLKSJQSA-N 290.388 1.283 0 50 CDAA Cc1cccc(NC(=O)N2CCC[C@@]23CCOC3=O)n1 187060339 KENKQWRIGXKNBX-AWEZNQCLSA-N 275.308 1.703 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C(N)=O)nc1 277715484 SOMWQOQDWMKIJK-ZYHUDNBSSA-N 277.324 1.324 0 50 CDAA Cc1nc([C@@H]2CCCCN2C(=O)c2cn[nH]c2)n[nH]1 407980630 LAZYUQOGTQQVCI-JTQLQIEISA-N 260.301 1.204 0 50 CDAA CC[C@@H]1CC[C@H](C(=O)N2CCC(CC(=O)NC)CC2)O1 408246225 KQSHADHBPRBODI-CHWSQXEVSA-N 282.384 1.319 0 50 CDAA C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCN1 188430642 HTGWTNZWVXZGMW-IUODEOHRSA-N 274.364 1.511 0 50 CDAA O=C(Nc1ccc(N=c2cncc[nH]2)cc1)[C@H]1CCCO1 642227153 RBBYBQOVMDUTIB-CYBMUJFWSA-N 284.319 1.760 0 50 CDAA Cc1ccsc1CNC(=O)Cn1cc(F)ccc1=O 190746385 DTOOIVPBRBQECP-UHFFFAOYSA-N 280.324 1.674 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1cn(C(C)(C)C)nn1 644181647 HMRNBRWBXSBBCV-CQSZACIVSA-N 296.371 1.099 0 50 CDAA CCO[C@H]1C[C@](O)(CNC(=O)[C@H]2CC2(C)C)C1(C)C 191802589 MDJZEGVSNKMIII-ZETOZRRWSA-N 269.385 1.715 0 50 CDAA COCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)o1 194492628 SROKPWRLQGWDEL-DTWKUNHWSA-N 267.281 1.409 0 50 CDAA Cc1occc1S(=O)(=O)Cc1ncnn1CC(C)C 195577665 IZSKSAMXYWHGTR-UHFFFAOYSA-N 283.353 1.809 0 50 CDAA CC(C)CN1CCC(N[C@@H](C)c2nncn2C)CC1 67757386 BAVPTOFGTQLWEJ-LBPRGKRZSA-N 265.405 1.586 0 50 CDAA CO[C@@](C)(C(=O)O)C(=O)Nc1n[nH]c2cc(F)ccc12 663041488 JIYBRVLWYNKAMX-GFCCVEGCSA-N 281.243 1.130 0 50 CDAA O=C(O)CC1(NC(=O)c2ccc(F)s2)CCOCC1 663123074 KBJJRNOMHNJBHN-UHFFFAOYSA-N 287.312 1.641 0 50 CDAA CC(=O)CN(C(C)C)S(=O)(=O)c1c(C)nn(C)c1C 583650929 BUIJPAFKRDKVLQ-UHFFFAOYSA-N 287.385 1.025 0 50 CDAA C[C@@H](C(=O)NCc1cccc(CO)n1)n1cccc1 1615056147 KLBUUHHDUUOGBE-NSHDSACASA-N 259.309 1.253 0 50 CDAA c1ccc(-n2ccc(CNCCNc3cnccn3)n2)cc1 1661919119 REVFUWHGOFUNMY-UHFFFAOYSA-N 294.362 1.864 0 50 CDAA CCOc1ccc(OCC(=O)N2CCOCC2)cc1 147150 GDJNQCRCAFHDLJ-UHFFFAOYSA-N 265.309 1.323 0 50 CDAA CCn1ncnc1CN(C)CCC[C@H]1CCCO1 215029107 AUCMLNMQVNDOMA-LBPRGKRZSA-N 252.362 1.689 0 50 CDAA CC(C)c1ccc(N2CCN3C(=O)OC[C@@H]3C2)nn1 1506416601 XGHWJYGCFPLWKF-JTQLQIEISA-N 262.313 1.241 0 50 CDAA COC[C@@H]1CCC[C@@H]1Nc1ncnc2c1CCNCC2 215561240 WGLLKTZZHDQJHF-AAEUAGOBSA-N 276.384 1.392 0 50 CDAA C[C@@H](c1nnnn1C)N1CC(C)(C)OC(C)(C)C1 408276779 KZSBBTFXZTYJIA-VIFPVBQESA-N 253.350 1.161 0 50 CDAA Cc1c(C)[n+]([O-])c([C@@H]2CC=CCC2)n1CC(=O)O 1547201073 USOSBNSIIONCIZ-LLVKDONJSA-N 250.298 1.647 0 50 CDAA C[C@H](NC(=O)[C@H]1CCOC1)c1ncc(C(=O)O)s1 621608858 APSPTYXSWWVEJW-BQBZGAKWSA-N 270.310 1.055 0 50 CDAA 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O=C1C[C@H]2NCC[C@H]2N1Cc1cc(-c2cccnc2)no1 1857695120 UVWXLHHTYWSWNI-ZIAGYGMSSA-N 284.319 1.199 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nc(C3CC3)no2)C1 643859525 IFFNVWPWXWHXBH-MNOVXSKESA-N 289.339 1.632 0 50 CDAA COC(=O)C[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(OC)cc1 241869084 SUHBWOFVERFHNZ-BPNCWPANSA-N 291.347 1.867 0 50 CDAA Cc1nnc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)o1 343245029 RUNWLJNHUJQQOI-JOYOIKCWSA-N 281.262 1.969 0 50 CDAA CC(C)OC[C@H](O)CN1CCN(c2ccccc2)CC1 20000046 DMKUAYGWDNCIOT-MRXNPFEDSA-N 278.396 1.595 0 50 CDAA Cc1nccn1CCCC(=O)N1C[C@@H](C)N[C@H](C)C1 153829314 GYDVCMUOIDSDRT-VXGBXAGGSA-N 264.373 1.181 0 50 CDAA O=C1NCCCC[C@@H]1CC(=O)N1CCC(CCCO)CC1 369204610 PFOKSLZUEFEZSH-CQSZACIVSA-N 296.411 1.304 0 50 CDAA C[C@H]1CCC[C@@H](CCN(C)C)N1C(=O)c1ccn(C)n1 585128243 WVCHUCQJWSTTIS-STQMWFEESA-N 278.400 1.755 0 50 CDAA C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccc2c(c1)ncn2C 267049444 XBALTIIHIGFBHA-VIFPVBQESA-N 295.364 1.193 0 50 CDAA Cc1ccc(NC(=O)CSc2n[nH]c(N)n2)c(C)c1 8491619 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CC(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 170020774 GWPQUCYWAGKSQU-LSDHHAIUSA-N 278.396 1.797 0 50 CDAA O[C@H]1CN(c2ccc3nnc(C(F)(F)F)n3n2)CC12CC2 548288803 PYXJSNCYQCGQHE-ZETCQYMHSA-N 299.256 1.104 0 50 CDAA CC(C)(C)SCCNC(=O)NC[C@H]1CC[C@H](O)C1 170608200 GZMHPSWAGSMMNC-QWRGUYRKSA-N 274.430 1.978 0 50 CDAA CSc1c(C(=O)N[C@@H](CO)CC(C)C)cnn1C 170611266 WHNYGJVJSVOLEN-SECBINFHSA-N 271.386 1.279 0 50 CDAA Cc1nccc(CNC(=O)[C@@H](O)C2CCCCC2)n1 187294865 QFDDQLALBPKIIS-ZDUSSCGKSA-N 263.341 1.342 0 50 CDAA COc1ccc(-c2noc(C3CN(C(C)=O)C3)n2)cc1 191314911 MYDIDDDUZUBPSP-UHFFFAOYSA-N 273.292 1.691 0 50 CDAA CCN1CN(C(=O)N[C@@H](C)CCC(C)C)CC1=O 192610002 PRBBWHJEATUHBS-NSHDSACASA-N 255.362 1.642 0 50 CDAA Cc1ccc(F)c(N(C#N)CCN2C(=O)CCC2=O)c1 195542785 XCQAQZXPOGMCQF-UHFFFAOYSA-N 275.283 1.571 0 50 CDAA CC(C)(CCN1CCN(c2ncccn2)CC1)CC(=O)O 569347717 NYNSOBCDUGFOHB-UHFFFAOYSA-N 292.383 1.490 0 50 CDAA CN(C)C(=O)c1ccc(N2CCC(C3CC3)CC2)nn1 665720486 KVTQKYANRSRMMF-UHFFFAOYSA-N 274.368 1.805 0 50 CDAA O[C@@]1(c2cnn[nH]2)CCN(c2ccnc3ccccc23)C1 583616498 BEAXSWOKTVKVHZ-HNNXBMFYSA-N 281.319 1.451 0 50 CDAA CC(C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1)=C1CCCC1 583621343 SVKSHIKGRWOJDK-OAHLLOKOSA-N 290.367 1.505 0 50 CDAA CC(C)(C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 733889731 KORPEZGSJMPLPF-GFCCVEGCSA-N 294.395 1.366 0 50 CDAA Cc1ccc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)cc1 794009786 OKVMSJKCBFMIQW-HNNXBMFYSA-N 272.352 1.597 0 50 CDAA CCN(Cc1cccc(C(=O)O)n1)C1CCOCC1 97446988 PKXDUNQAQWSRGT-UHFFFAOYSA-N 264.325 1.781 0 50 CDAA C[C@H](O)CN1CCC(CNc2ncnc3c2CCC3)CC1 1615560208 KIBGXCRYXIWLAU-LBPRGKRZSA-N 290.411 1.470 0 50 CDAA CC(C)CCC(=O)NC[C@@H]1CCC2(CC(C(=O)O)C2)O1 1615819120 CZNBIMTXUCXOJC-AVERBVTBSA-N 283.368 1.951 0 50 CDAA Cc1cc(S(N)(=O)=O)c(C)cc1Br 41096014 WVYBHJDWFXFZAY-UHFFFAOYSA-N 264.144 1.713 0 50 CDAA in-vitro CNC(=O)C1(NC(=O)[C@H]2CNc3ccccc32)CCCC1 1650325308 GGRTWJCFXJVUCA-LBPRGKRZSA-N 287.363 1.371 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2cncn2CC(C)C)C1 1506424314 BQSWLDBEVOOJML-CYBMUJFWSA-N 278.400 1.497 0 50 CDAA COC[C@H]1CCCN(S(=O)(=O)NC2(C)CCC2)C1 1506424593 BBIFUVJMHLJJDZ-NSHDSACASA-N 276.402 1.122 0 50 CDAA O=C(O)CCN1CCC(CNC(=O)C2CCC2)CC1 1506397931 ZEOHOWQFWSGREJ-UHFFFAOYSA-N 268.357 1.089 0 50 CDAA Cc1ncncc1C(=O)N(C)Cc1c(C)nn(C)c1C 1506422356 SAKROVKFGXXIBT-UHFFFAOYSA-N 273.340 1.408 0 50 CDAA O=C(O)[C@]12CN(Cc3ccccc3F)C[C@@]1(C(=O)O)C2 1704311258 BMZBTFNVKYSGSY-OKILXGFUSA-N 279.267 1.187 0 50 CDAA O=S(=O)(CC1CCC1)N[C@@H]1CCOC2(CCC2)C1 329149095 QGTDBRYUAGBMCP-GFCCVEGCSA-N 273.398 1.808 0 50 CDAA CC(C)Cc1c[nH]c(C(=O)N2CCN(C)C(=O)C2)c1 334219645 ZQWYSVPBNPXWNU-UHFFFAOYSA-N 263.341 1.127 0 50 CDAA Cc1noc(CNc2ccc3c(c2)CCNC3=O)n1 656656919 KGVFEKUSTHAWHT-UHFFFAOYSA-N 258.281 1.276 0 50 CDAA CC(C)(C)CS(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 253430894 GDZDGKZZJKQLFZ-WCQYABFASA-N 291.413 1.290 0 50 CDAA Cc1nccnc1N1CCC(c2ccn(C)c(=O)c2)CC1 1772813192 VEGHBUYSHZJVRI-UHFFFAOYSA-N 284.363 1.868 0 50 CDAA Cc1nn2ncccc2c1C(=O)N1C[C@@H]2C[C@]2(C)C1 1772816208 IRVRRRILZYJNJS-IINYFYTJSA-N 256.309 1.520 0 50 CDAA CN1C[C@H](c2nnc3n2-c2ccc(F)cc2CC3)CC1=O 1772811555 VTDOCIQNHKOHCC-SNVBAGLBSA-N 286.310 1.451 0 50 CDAA CCc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 19338634 YYTLATYPGKVEQP-OAHLLOKOSA-N 278.396 1.236 0 50 CDAA COC(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)c(C)c1 169980322 IOLBAQHARRIJFY-UHFFFAOYSA-N 294.156 1.035 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)[C@H]1CCn3ncnc3C1)C2 1857667017 LNRSPQJZZRVDME-NSHDSACASA-N 283.335 1.086 0 50 CDAA C[C@H]1CN2C[C@@H](Nc3cnc4ccccc4n3)C[C@H]2CO1 1857734692 NCEGONNLCIGZCK-AVGNSLFASA-N 284.363 1.903 0 50 CDAA COc1cc(CN2C[C@H]3COC[C@@H]2CN(C)C3)ccc1F 1875246353 NBWUEVVRVFUHCA-KBPBESRZSA-N 294.370 1.597 0 50 CDAA Cc1cccc(N2CCN(C(=O)CCC(=O)O)CC2)c1C 204844 YYAJWUWOXLKUAY-UHFFFAOYSA-N 290.363 1.817 0 50 CDAA O=C(CSc1nc2ccccc2o1)N1CCOCC1 259809 GIKBTBYHAVXMBL-UHFFFAOYSA-N 278.333 1.779 0 50 CDAA O=C(O)/C=C/C(=O)N1CCN(c2cccc(Cl)c2)CC1 476177 BAXRFTMJNIARKZ-SNAWJCMRSA-N 294.738 1.629 0 50 CDAA C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cn1cnnn1 408082866 RBBFWEIBJSTFEV-NXEZZACHSA-N 289.314 1.347 0 50 CDAA CN(Cc1nc(C2CC2)no1)C[C@H]1CCc2nccn2C1 328648453 UOSPDAJHLFPQNB-LLVKDONJSA-N 287.367 1.838 0 50 CDAA Cc1oc2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2c1C 6660607 DXFUUTHFLRLRKW-UHFFFAOYSA-N 290.323 1.214 0 50 CDAA CCO[C@H]1C[C@@H](N(C)C(=O)[C@H]2CSCN2)C1(C)C 236967819 WTXKQEUCAWIWRV-MXWKQRLJSA-N 272.414 1.311 0 50 CDAA CC[C@@H]1CN(c2cc(CO)c(F)cn2)C[C@@]2(CCOC2)O1 663862399 APCPVQINKCDTBH-IUODEOHRSA-N 296.342 1.487 0 50 CDAA Cn1ncc2c(N3CCC[C@@H](C4OCCO4)C3)ccnc21 253425658 DMJQDKHAUCFOAE-LLVKDONJSA-N 288.351 1.558 0 50 CDAA Cc1ccc2oc(C(=O)N3CCO[C@H](C(=O)O)C3)cc2n1 262941610 HWRHPNLEZWDPMK-LBPRGKRZSA-N 290.275 1.062 0 50 CDAA COCc1cc(CNC(=O)/C=C/CN(C)C)ccc1F 265694662 ONEKGYDCEKIOLI-SNAWJCMRSA-N 280.343 1.706 0 50 CDAA Cn1ncc(CNc2nccn3nc(C(C)(C)C)cc23)n1 389934403 HNUQALLNFRGLLL-UHFFFAOYSA-N 285.355 1.767 0 50 CDAA Cn1ccc(NC(=O)[C@@H]2NCCOc3ccccc32)n1 912123841 JWOCISVQGKYPDI-CYBMUJFWSA-N 272.308 1.082 0 50 CDAA O=C(NCC1SCCS1)[C@@H]1CSCCS1 856164055 XQRZDYBASOCLGZ-ZETCQYMHSA-N 281.493 1.757 0 50 CDAA Cn1nc(C(F)(F)F)cc1CN1C[C@@H]2CCC[C@@]2(N)C1 864055638 USCZZIJLDJTEMU-JOYOIKCWSA-N 288.317 1.752 0 50 CDAA CCO[C@H]1C[C@H]1C(=O)N(C)Cc1ccc(C(=O)O)cc1 236960877 NZFMSDBNQRQWNI-OLZOCXBDSA-N 277.320 1.768 0 50 CDAA COCCCCN(C)C(=O)C12CCC(OC)(CC1)CC2=O 952879467 ISMPVVPFDBCKAD-UHFFFAOYSA-N 297.395 1.790 0 50 CDAA O=C(NCc1ccccc1-n1ccnc1)C12CC1C2 1875362076 PWGMIWPHZJWHPV-UHFFFAOYSA-N 253.305 1.899 0 50 CDAA Cc1nc([C@H]2CCN(c3ccc4c(C)nn(C)c4n3)C2)no1 1875321126 VPAQMWLFQWJSBX-NSHDSACASA-N 298.350 1.962 0 50 CDAA CC(=O)N1C[C@H](N[C@H]2CCOC2)CC[C@H]1C(F)(F)F 886065803 VJBGEHPQNWBAPH-VWYCJHECSA-N 280.290 1.307 0 50 CDAA COC[C@H](O)CNC1CC(Sc2ccccc2)C1 888099232 XJJNJDNCOKSWMA-MBHSVXNSSA-N 267.394 1.907 0 50 CDAA CC1(C)CCC(NC(=O)[C@@H]2NCc3ncncc32)CC1 1775962414 JWNGMLKQUGHLMJ-CYBMUJFWSA-N 274.368 1.706 0 50 CDAA O=C1CN(C(=O)c2cncc(F)c2)[C@H]2CCCC[C@@H]2N1 170034061 UUXAYSQMIFPSJU-RYUDHWBXSA-N 277.299 1.104 0 50 CDAA CCOCCCN1C(=O)c2ccc(C(=O)O)cc2C1=O 30768945 UTURIEQIDZFUHL-UHFFFAOYSA-N 277.276 1.407 0 50 CDAA CC[C@H](OC)C(=O)Nc1ccc(C(=O)O)cc1F 261974534 VAYSZVDNPHNSLT-JTQLQIEISA-N 255.245 1.887 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)c2ccc[nH]2)cn1 262783013 JJJXMWWBNNCZKY-UHFFFAOYSA-N 262.269 1.283 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@H]1CCNC[C@@H]1C 262811703 YFUYOUUCPCWPGO-AAEUAGOBSA-N 282.409 1.525 0 50 CDAA O=C(NC[C@@]1(O)CCNC1)Nc1cccc(Cl)c1 299782727 UGPHRIVEVLHEKL-GFCCVEGCSA-N 269.732 1.186 0 50 CDAA NCC1(O)CCN(c2ccnc3ccsc23)CC1 571270032 SZHHZRUIOFAKDX-UHFFFAOYSA-N 263.366 1.586 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)c1nn(C)cc1Cl 426442807 BJMYSOKGBYZQMJ-SSDOTTSWSA-N 273.720 1.447 0 50 CDAA Cn1cc(CN2C(=O)CC3(CCCC3)CC2=O)cn1 95507910 GPEAJXBCIUZIIO-UHFFFAOYSA-N 261.325 1.630 0 50 CDAA Cc1ccc2n[nH]cc2c1C(=O)N1CC2(COC2)C1 2325802193 ONLZYGSMWDFHDU-UHFFFAOYSA-N 257.293 1.344 0 50 CDAA COCC1(C(=O)N2Cc3ccccc3OC[C@H]2C)COC1 2325814923 AELKOZBSVCIZBI-GFCCVEGCSA-N 291.347 1.459 0 50 CDAA CNC(=O)Oc1cc(C)c(S(C)(=O)=O)c(C)c1 2038820 RJBJMKAMQIOAML-UHFFFAOYSA-N 257.311 1.425 0 50 CDAA N[C@H](CC(=O)O)Cc1c(F)c(F)c(F)c(F)c1F 2385967 IBSVXBXKRWGCRU-VKHMYHEASA-N 269.169 1.727 0 50 CDAA CCOC(=O)c1c(C(=O)OCC)c(C)n(O)c1C 2519016 DUMBSZMBRMOOJI-UHFFFAOYSA-N 255.270 1.696 0 50 CDAA Cn1cnc(C(=O)NCc2cccc3ncsc23)c1 2356137126 GGTNWXBDKYJVQY-UHFFFAOYSA-N 272.333 1.960 0 50 CDAA O=c1[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc2[nH]1 2845769 YVHLMICCARZTCM-UHFFFAOYSA-N 295.364 1.421 0 50 CDAA COc1ccc(C(=S)N2CCN(C)CC2)cc1 4816023 ZQLVMFDFVBMDIK-UHFFFAOYSA-N 250.367 1.618 0 50 CDAA Nc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 4858737 SCMXDDWEIKFCBP-NSHDSACASA-N 284.315 1.839 0 50 CDAA Nc1nnnn1NCc1ccc(-c2ccccc2)o1 7602123 BZIBWZQYSMLNQV-UHFFFAOYSA-N 256.269 1.259 0 50 CDAA CCc1cc2c(N3CCC[C@](O)(CO)C3)ncnc2s1 413391908 BZKAZXNCYCMJMG-CQSZACIVSA-N 293.392 1.577 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C1 10112540 ADEPOXZOBRHUBE-NSHDSACASA-N 296.392 1.930 0 50 CDAA Cn1nncc1C(=O)N[C@H](c1ccccc1)C1CC1 280954448 JJBOUNNDWJVVSI-CYBMUJFWSA-N 256.309 1.696 0 50 CDAA CO[C@H]1C[C@@H](CO)N(Cc2ncc(Cl)cc2Cl)C1 344701147 DHYNZZMDQGPAOY-UWVGGRQHSA-N 291.178 1.970 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100149552 HYVCRTFVNMBICJ-WTTBSCSTSA-N 283.283 1.696 0 50 CDAA COC(=O)[C@@]1(SC)[C@H]2C=C[C@H]1CC21OCCO1 104300475 RDWWCTBKBTXRLI-AUTRQRHGSA-N 256.323 1.210 0 50 CDAA CN1CCN(c2ccc(C(=O)O)cc2Cl)CC1 42684493 RSSBUWGQOMUQJI-UHFFFAOYSA-N 254.717 1.790 0 50 CDAA in-vitro CCCc1nc(C)cc(N2CCC(C(N)=O)CC2)n1 65397381 MKOUPHSAMZGFKK-UHFFFAOYSA-N 262.357 1.439 0 50 CDAA CN1CCC[C@]2(CCN(c3nccs3)C2)C1=O 67934367 XGQFRSJDEVFCFF-GFCCVEGCSA-N 251.355 1.592 0 50 CDAA COc1ccc(O)c([C@H]2CC(=O)Nc3n[nH]cc32)c1 65411013 PSULAODLKGSNSM-MRVPVSSYSA-N 259.265 1.598 0 50 CDAA CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCC[C@H]1CCCO1 252477937 YBIULBNYIPVWQQ-XQQFMLRXSA-N 270.373 1.358 0 50 CDAA CCCCNc1cc(N2CCO[C@@H](COC)C2)nc(N)n1 252484481 FXMLSGVYCIZGJE-LLVKDONJSA-N 295.387 1.122 0 50 CDAA CC(=O)c1cn(CC(=O)NCC(=O)O)c2ccccc12 36370083 NOOFRXKWTWRYGQ-UHFFFAOYSA-N 274.276 1.045 0 50 CDAA biogenic COCc1nc(CN2CC(c3cccnc3)C2)no1 71752015 WCDLELVVKJHFJV-UHFFFAOYSA-N 260.297 1.210 0 50 CDAA COc1nc(C)cc(N2CC(C)(C)O[C@]3(CCOC3)C2)n1 330044095 AQWMNJGDUMJFQI-OAHLLOKOSA-N 293.367 1.568 0 50 CDAA CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 333382430 BPGPONSTXCZEAM-XJFOESAGSA-N 264.369 1.596 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@@](O)(CO)CC2)c(F)c1 72161318 FCINWTDGHYCKIV-HNNXBMFYSA-N 281.327 1.484 0 50 CDAA N[C@@H]1CCCC[C@H]1NC(=O)NCC[C@H]1C[C@H]2CC[C@H]1O2 333561516 LBPATQRZBNTORE-RYMFRWLXSA-N 281.400 1.513 0 50 CDAA CO[C@@H]1COCC[C@@H]1CC(=O)N[C@H]1CCO[C@H]1C1CC1 333563127 OKYPODAZIMHBGG-COMQUAJESA-N 283.368 1.112 0 50 CDAA CN(C)[C@@H]1C[C@@H](CO)N(Cc2cc3ccccc3o2)C1 216014100 IHRAEARVYLXGPG-KGLIPLIRSA-N 274.364 1.930 0 50 CDAA CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccnc2c1nnn2C 333709283 GCJSHRMCAWLDHK-IINYFYTJSA-N 273.340 1.528 0 50 CDAA O[C@@H]1CNCC[C@H]1CNc1ncccc1C(F)(F)F 72457468 GLVRVFGNMVEUQT-WCBMZHEXSA-N 275.274 1.483 0 50 CDAA O=C(N[C@H]1CCN(C2COC2)C1)OCc1ccccc1 79387428 JLDGHCCLXOHBQA-ZDUSSCGKSA-N 276.336 1.386 0 50 CDAA CC(C)N1CCN(C(=O)N[C@H]2CCC[C@H]2F)CC1=O 334680166 GBXNICYCSAAXDY-MNOVXSKESA-N 271.336 1.139 0 50 CDAA NC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCNC1 216652168 NXXFERNANCMBDS-LLVKDONJSA-N 270.336 1.438 0 50 CDAA Cc1nn(C)cc1NC(=O)c1ccc2nccn2c1 172768266 HEKFKQRUIZZBGH-UHFFFAOYSA-N 255.281 1.629 0 50 CDAA C/C=C(\CC)C(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 372759799 VWBTVVVLJQULJA-BZFUBLJMSA-N 264.329 1.071 0 50 CDAA O=C(CN1CCOCC1=O)N[C@H]1CCCCC12CCCC2 336563150 MKYPAWOQVXVYGC-ZDUSSCGKSA-N 294.395 1.464 0 50 CDAA CNc1nc(C(=O)N[C@@H](C)Cc2cnccn2)cs1 215003992 YXIKZKNZSHLPFY-QMMMGPOBSA-N 277.353 1.336 0 50 CDAA CO[C@]1(C)C[C@@H](N(C)C[C@H](O)Cn2cccn2)C1(C)C 174479720 BVTDFVLZXCWEKV-GZBFAFLISA-N 281.400 1.379 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)COc2ccc(C)c(C)c2)C1 284971786 XEOYTLPTEYGULV-DZGCQCFKSA-N 293.363 1.290 0 50 CDAA O=C(NCCc1cccs1)c1cc2c([nH]c1=O)CCC2 49551769 BGXUZXHNADOLBH-UHFFFAOYSA-N 288.372 1.898 0 50 CDAA O=C(CCc1ccc(F)c(F)c1)NC[C@H]1COCCO1 48809470 HVVPIOMGBYIASX-NSHDSACASA-N 285.290 1.429 0 50 CDAA O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc2ncsc2c1 82120453 FAEZKSVZMZWSEG-UWVGGRQHSA-N 279.340 1.726 0 50 CDAA Cc1cc(CN(C)C(=O)c2cn(C)c(C)cc2=O)on1 426582709 AJTPSMJYAKQBMQ-UHFFFAOYSA-N 275.308 1.262 0 50 CDAA CCN1CCCC[C@H]1CNc1cncc(C(=O)N(C)C)n1 429198049 MDBLHIQLARHGIC-LBPRGKRZSA-N 291.399 1.465 0 50 CDAA CC(C)(CO)NC(=O)NCc1cc(-c2ccccn2)no1 426707159 HGPWGNKIMMMSPC-UHFFFAOYSA-N 290.323 1.307 0 50 CDAA O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCn2nccc21 818738695 IPXQOLIZFRPEAZ-ZYHUDNBSSA-N 265.313 1.335 0 50 CDAA Cc1cc(=O)c(C(=O)NC[C@H](C)n2ccnc2)c(C)[nH]1 426668938 DCOCMHGBGQGCKU-JTQLQIEISA-N 274.324 1.179 0 50 CDAA COc1ccccc1N1CCN(C[C@@H]2CCOC2)CC1=O 426428289 KYEYXMFZPPPRMO-ZDUSSCGKSA-N 290.363 1.380 0 50 CDAA O=C(CCC(F)(F)F)N[C@@H]1CCc2c[nH]nc2C1 330966280 CYYGNODGFGLGQW-MRVPVSSYSA-N 261.247 1.726 0 50 CDAA COC[C@H](C)NC(=O)N(C)Cc1ccc2nonc2c1 426421900 ORLMZSLOZQISGD-VIFPVBQESA-N 278.312 1.399 0 50 CDAA Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)C)CC2)c1Cl 426517785 FRPWHBKECNABMN-SNVBAGLBSA-N 284.791 1.928 0 50 CDAA Nc1ncc(I)nc1Cl 95743109 KVGKDDCJSHJYCS-UHFFFAOYSA-N 255.446 1.317 0 50 CDAA in-vitro Cc1cc2cc(NC(=O)N3CCOC[C@H](O)C3)ccc2o1 95520851 LBEXJFVOLLUQRD-CYBMUJFWSA-N 290.319 1.966 0 50 CDAA CC(C)NC(=O)CNC(=O)[C@H](c1ccc(F)cc1)N(C)C 95383279 BCLSOTQKOFRWBP-AWEZNQCLSA-N 295.358 1.069 0 50 CDAA CCN1CCC(CC(=O)N(C)Cc2noc(C)n2)CC1 95375285 NBIFXONSRUYNRZ-UHFFFAOYSA-N 280.372 1.458 0 50 CDAA NC(=O)N1CCC[C@H](C(=O)NCC2=CCCCC2)C1 91745310 NTHZVIQLBSAJDE-LBPRGKRZSA-N 265.357 1.394 0 50 CDAA CC[C@H](C(=O)NC(C)(C)C)N(C)Cc1cc[nH]n1 244652005 GYCIRYWTACSWLY-LLVKDONJSA-N 252.362 1.535 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)n2cncn2)cc1 252496614 PMYZQTDRMBDZPP-UHFFFAOYSA-N 265.338 1.813 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)NCC(F)(F)CO)c1 184295265 IRXXLPDTIMLTAA-UHFFFAOYSA-N 283.271 1.040 0 50 CDAA O=C(NCc1cccnc1)c1cc(C2CCNCC2)ccn1 534656706 KHEAFNKZPSLYHZ-UHFFFAOYSA-N 296.374 1.874 0 50 CDAA CN=c1ncc(C(=O)NCc2ccc3c(c2)C[C@@H](C)O3)c[nH]1 534659086 UTHYZOMBSYMITI-SNVBAGLBSA-N 298.346 1.194 0 50 CDAA C[C@H](C(=O)O)[C@@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 263461877 QCMGDZSFKSMOLV-WDEREUQCSA-N 287.319 1.711 0 50 CDAA CCn1ccc(C(=O)NCC[C@H]2CCCOC2)cc1=O 534648484 BBIFOWBOLUOPNJ-GFCCVEGCSA-N 278.352 1.415 0 50 CDAA CCOC(=O)N1CC[C@@H](NCc2cc(C3CC3)on2)C1 534672328 OUNHNQHIRDTPOJ-LLVKDONJSA-N 279.340 1.872 0 50 CDAA COCCOC1CCN(Cc2ncc(C)[nH]2)CC1 628171774 MVMJDDLYGMTMIA-UHFFFAOYSA-N 253.346 1.346 0 50 CDAA O=C(CC1=CCCC1)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299776503 LMGUFKCCXFJMSX-KBPBESRZSA-N 288.351 1.451 0 50 CDAA COC(=O)C[C@@]1(C(=O)OC)CCN(Cc2ccccc2)C1 398595429 RWDLITXDVOCOBQ-INIZCTEOSA-N 291.347 1.615 0 50 CDAA CN(C)CC1(O)CCN(Cc2ccc(Cl)o2)CC1 823684413 SUGUMKLJGRXRQD-UHFFFAOYSA-N 272.776 1.822 0 50 CDAA Nc1nc(CCCNC(=O)c2cncc(F)c2)cs1 826630300 KBRMJYWQWXTBHK-UHFFFAOYSA-N 280.328 1.622 0 50 CDAA Cn1ccn2ncc(C(=O)N[C@H]3COc4ccccc4C3)c12 584887277 QULAQFFLZZGJMM-GFCCVEGCSA-N 296.330 1.406 0 50 CDAA O=C(NCCN1CCCCC1=O)[C@H]1CC12CCC2 584900175 OHLKAHBKSYYHJV-LLVKDONJSA-N 250.342 1.305 0 50 CDAA CC[C@](O)(CCCO)CNC(=O)Cc1ccc(C)c(F)c1 670470530 ZNFMHSSBECHGPC-INIZCTEOSA-N 297.370 1.706 0 50 CDAA CNC(=O)C[C@H]1CCN(CCc2cccc(C)n2)C1 670450016 HSPCLBYFNTXFMB-CYBMUJFWSA-N 261.369 1.391 0 50 CDAA O=C1CC[C@H](N2CCOc3ccccc3C2)CCN1 670444372 CIVQMMLKMNSZEA-ZDUSSCGKSA-N 260.337 1.550 0 50 CDAA CCc1ncc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cn1 71261679 FDHACSDZQWWDHD-OLZOCXBDSA-N 274.368 1.348 0 50 CDAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O 72267128 MUPAPEDKCKNYLY-KGLIPLIRSA-N 263.337 1.433 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)c2nccs2)C1 958528782 VFJHBQNLDUSWDG-RNCFNFMXSA-N 299.396 1.515 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)([C@H](N)c2ccc(F)cc2)C1 958528859 WXYNHYPWMITVTN-GFCCVEGCSA-N 296.342 1.807 0 50 CDAA O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccnn1CCO 1565525568 ZAPYHHBDMOBIRF-OLZOCXBDSA-N 271.320 1.161 0 50 CDAA COCCn1cnnc1[C@@H](C)NCc1ccc(C)o1 952862148 MROGRZUWHWNKLG-LLVKDONJSA-N 264.329 1.677 0 50 CDAA CN(CCOCC1CC1)C(=O)c1c[nH]nc1[C@H]1CCOC1 275844995 IILSLUYNSJEHKW-LBPRGKRZSA-N 293.367 1.412 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNc2nccc(OC)n2)C1(C)C 276429786 BABZZHDTTKTPBD-QMTHXVAHSA-N 281.356 1.463 0 50 CDAA FC(F)(F)c1nc(NC[C@@H]2CCCO2)c2nc[nH]c2n1 301115565 XOZNYWJNKTUBTG-LURJTMIESA-N 287.245 1.963 0 50 CDAA Cc1cccc([C@@H](NC(=O)N2CCOCC2)C(=O)O)c1 548202181 CHNAVWUDQAOJDZ-GFCCVEGCSA-N 278.308 1.163 0 50 CDAA Cc1nc(NC(=O)c2ccn3cncc3c2)n(C)n1 170594709 MAMKBZDUQFZARO-UHFFFAOYSA-N 256.269 1.024 0 50 CDAA COC(CN1CCO[C@H](c2cccc(F)c2)C1)OC 170602732 XOOCCXDDGMABGU-ZDUSSCGKSA-N 269.316 1.818 0 50 CDAA CC(C)Oc1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)ccn1 408094275 RTUUDBJGQYSUMV-WCQYABFASA-N 278.352 1.712 0 50 CDAA C[C@H]1C[C@@H](C)C[C@H](CCN2CC[C@H](S(N)(=O)=O)C2)C1 408088203 ICMPXHFMZJGHDC-DGAVXFQQSA-N 288.457 1.812 0 50 CDAA CCO[C@H]1C[C@@](CO)(NC(=O)c2cccnc2)C1(C)C 188833919 KJQJCYPPZMBSIO-WFASDCNBSA-N 278.352 1.378 0 50 CDAA C[C@H]1[C@@H](C)OCCN1C(=O)C(=O)Nc1cc(F)cc(F)c1 190024311 YKHLRZFXPRRRNT-DTWKUNHWSA-N 298.289 1.539 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1ccc(C)o1 643764436 XXYGMZCZYMZXBK-CQSZACIVSA-N 266.341 1.315 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(F)ccc1C 643847122 XKQIVYLGCLVAQY-OAHLLOKOSA-N 295.310 1.840 0 50 CDAA CC(C)c1nn(C)cc1CN(C)C(=O)C1CCNCC1 195554357 VMILDFDLENKFMK-UHFFFAOYSA-N 278.400 1.502 0 50 CDAA O=C(N[C@H](Cc1ccncc1)C(=O)O)[C@@H]1CC=CCC1 655600321 CQJXTEFDROHWJP-CHWSQXEVSA-N 274.320 1.550 0 50 CDAA CN1CCC[C@@H](CNC(=O)c2ccnn2C(F)F)C1 668463615 UTTYICLRMZJUAH-VIFPVBQESA-N 272.299 1.350 0 50 CDAA CC[C@H]1CO[C@H](CC)CN1c1nc(O)c2cnn(C)c2n1 585090409 LDLKJWQBHLQUCQ-VHSXEESVSA-N 291.355 1.463 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCc2cccnc21 585122574 BUCNENQTYQJBQI-CYBMUJFWSA-N 284.363 1.810 0 50 CDAA CN(CC(=O)N(c1ccccc1)C1(C)CC1)S(C)(=O)=O 585125633 ZRJJTBFDSJXFKP-UHFFFAOYSA-N 296.392 1.464 0 50 CDAA CCn1cc(CC(=O)N2CC[C@]3(CCCOC3)C2)cn1 791359162 XODXMNUMGAEWCH-OAHLLOKOSA-N 277.368 1.475 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1coc(-c3ccccn3)n1)C2 1615546473 OLHCUFCAQPWHSN-YAKODHLKSA-N 284.319 1.346 0 50 CDAA O=C(Nc1cnn(Cc2cccnc2)c1)[C@]12CC[C@H]1CNC2 1646741606 YMNDGGMTQLJCGR-BBRMVZONSA-N 297.362 1.265 0 50 CDAA O=C(NCc1cc[nH]n1)c1ccc(-c2cn[nH]c2)cn1 1625696099 RJBNBPYTCULKGR-UHFFFAOYSA-N 268.280 1.125 0 50 CDAA CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1 65658 SNYKFSWOVGKZTL-GFCCVEGCSA-N 285.307 1.525 0 50 CDAA Cc1ccc(OCC(=O)NC2(C(=O)O)CC2)cc1C 203648101 ZGLIRVNJGMXADN-UHFFFAOYSA-N 263.293 1.416 0 50 CDAA CCn1cnnc1CCN[C@@H](C)Cn1nc(C)cc1C 1506398958 IHGBAJDGVLMWOB-LBPRGKRZSA-N 276.388 1.332 0 50 CDAA Cc1nonc1CC(=O)N(C)CCc1scnc1C 1506420126 VHGQCLXGVIMCKV-UHFFFAOYSA-N 280.353 1.387 0 50 CDAA Cc1cnnc(N2CCN(c3cnccn3)CC2)c1C 1857671610 KWWDBTWEDJNSPB-UHFFFAOYSA-N 270.340 1.210 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(c1ccc(Cl)cn1)C2 1704315556 KBXXGTYLCKINEW-PWSUYJOCSA-N 267.760 1.502 0 50 CDAA Cn1ccnc1-c1nccn1C1CCS(=O)(=O)CC1 1875246616 CUHRKIHAMOGKAY-UHFFFAOYSA-N 280.353 1.033 0 50 CDAA CO[C@H](C)C(=O)Nc1cccc(CCC(=O)O)c1 227931241 QUTVDJRVXVDAJK-SECBINFHSA-N 251.282 1.677 0 50 CDAA CCC(=O)N1CCCN(C(=O)CCC(C)C)CC1 124713757 SPRDFTYGIHBUKL-UHFFFAOYSA-N 254.374 1.894 0 50 CDAA CC(C)Cn1ccnc1CNC(=O)c1cccnc1 131076259 UXOCJXKPAOVVDW-UHFFFAOYSA-N 258.325 1.864 0 50 CDAA CC(C)(C)OC(=O)CCSC[C@H]1CC(F)(F)C(=O)N1 1875275692 VKHQBFDKMAKTCX-MRVPVSSYSA-N 295.351 1.975 0 50 CDAA COC(=O)C[C@@H](C)NC(=O)OCc1ccccc1 22013012 HSKIGKMMMZQYID-SNVBAGLBSA-N 251.282 1.864 0 50 CDAA in-vitro O=C(NCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](O)CN1 696907095 UMAHAEDPKQIDIV-HQJQHLMTSA-N 289.162 1.332 0 50 CDAA O=S1(=O)C=C[C@H]2ON=C(c3ccc(F)cc3)[C@H]21 5063175 OCXFKTLACAMIJS-KOLCDFICSA-N 253.254 1.239 0 50 CDAA COC[C@H](C)N1CCC(CCC(=O)NCCN(C)C)CC1 12053101 QSMLXBKGGVTXMS-AWEZNQCLSA-N 299.459 1.191 0 50 CDAA CC(C)NC[C@@]1(O)CCCN(CCc2ccccc2)C1=O 12440090 CAHNEAHMOQQDCD-KRWDZBQOSA-N 290.407 1.581 0 50 CDAA O=C(N[C@H](C(=O)O)n1nnc2ccccc21)c1ccccc1 15771058 IYAIEGFVRIPJEE-ZDUSSCGKSA-N 296.286 1.445 0 50 CDAA COc1cccc(NC(=O)NCCCN2CCOCC2)c1 19834113 HALKIPFPSMHPBZ-UHFFFAOYSA-N 293.367 1.539 0 50 CDAA Cn1cc(C(N)=O)cc1C(=O)Nc1ccc2[nH]ncc2c1 153467000 IELIXLJMCXXGEQ-UHFFFAOYSA-N 283.291 1.253 0 50 CDAA O=C(Cc1cnccn1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 223140984 TXZLZHFCMSQSDZ-PVXIVEMSSA-N 298.346 1.043 0 50 CDAA CCn1cc([C@@H]2CSCCN2CC(=O)OC)cn1 408514981 RCQCKIVWUVUTJZ-NSHDSACASA-N 269.370 1.166 0 50 CDAA O=C(N[C@H]1CCCC[C@H]1C(=O)O)c1cnn2ccccc12 224783767 IOIOXEGYSKGMPV-PWSUYJOCSA-N 287.319 1.708 0 50 CDAA CO[C@@H](CN)C(=O)N1CCC[C@H]1Cc1ccccc1 227363537 WHMCDHPHSNPNLI-KBPBESRZSA-N 262.353 1.194 0 50 CDAA NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(C(=O)O)cc1 237893097 YIMRLZUGOVXNNR-GFCCVEGCSA-N 290.319 1.255 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCc1ccccn1 239174122 PHPVKNRANYSRPG-CDGCEXEKSA-N 286.331 1.611 0 50 CDAA Cn1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)cn1 136044617 AQKAKSLSYNZSHL-UHFFFAOYSA-N 286.335 1.088 0 50 CDAA Cn1cnc2cc(C(=O)N3CCCC[C@@H]3C(=O)O)ccc21 263381051 BQDHHXGSIRCYHV-CYBMUJFWSA-N 287.319 1.653 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1SCCc2ccccc21 263322757 RTAARYZMNUDYPT-BXKDBHETSA-N 279.361 1.949 0 50 CDAA N=C(N)c1cc(F)cc(CN2CCN3CCCC[C@@H]3C2)c1 163479666 SASUXOUGJDENGR-OAHLLOKOSA-N 290.386 1.780 0 50 CDAA OC[C@H]1CCN(Cc2ccc3cc(O)ccc3c2)C[C@H]1O 1139337092 IYJTWRFMFVRLHP-NVXWUHKLSA-N 287.359 1.721 0 50 CDAA CN1CC[C@@H]2[C@H]1C[C@H](C(=O)O)N2C(=O)OC(C)(C)C 1857784688 XXFARIFIOSLUGW-OPRDCNLKSA-N 270.329 1.153 0 50 CDAA CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](C(=O)O)N1 1857780307 GVGGVTYMQQIHAX-DTWKUNHWSA-N 258.318 1.106 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1C2C[C@H]3[C@@H](C2)C31C(=O)O 1857779318 DMNCQAIBIGGQSP-IPYILIOJSA-N 253.298 1.620 0 50 CDAA CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)O 863981848 NZVMPRPSFXOTTH-MXWKQRLJSA-N 279.340 1.283 0 50 CDAA O=C([C@@H](O)c1cnc[nH]1)N1CCCC[C@@H]1c1ccco1 865914190 FJUIGJCQRICDHT-YPMHNXCESA-N 275.308 1.790 0 50 CDAA CO[C@@H]1Cc2ccc(N[C@@H]3C[C@H](C)OC3=O)cc2C1 1875259193 LIXNTZWVKOTDCH-CUOATXAZSA-N 261.321 1.916 0 50 CDAA CN(Cc1ccoc1)S(=O)(=O)C[C@@H]1C[C@H]1C(F)F 1875289675 ILHVUXSCKTVOCG-VHSXEESVSA-N 279.308 1.942 0 50 CDAA CC(C)(C)n1ncc2c(N3C[C@@H]4C[C@]4(N)C3)ncnc21 1875281867 BGXBDNQBKKQIQL-XPTSAGLGSA-N 272.356 1.119 0 50 CDAA CN(C)c1ncccc1C(=O)N1C[C@@H](F)C[C@H]1CC(=O)O 1875286255 MRMQUURUMOVTET-UWVGGRQHSA-N 295.314 1.175 0 50 CDAA O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)[C@H]1C[C@@H]2CC[C@H](C1)O2 1875304547 NJYWSMRJARELEA-QEBKJYJCSA-N 279.336 1.314 0 50 CDAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)[C@H]1C[C@H]2[C@@H](C1)C2(F)F 1875300837 SCWODDNPKMTNBC-XRBOHMRVSA-N 291.319 1.353 0 50 CDAA CCCCc1cn(CCNC(=O)c2cncnc2C)nn1 1875324035 YZGVUQXCGVIRLK-UHFFFAOYSA-N 288.355 1.149 0 50 CDAA CC(C)O[C@]1(c2nnc3n2CCCC3)CCOC1 887282972 KXCUSSYYIZEKFX-CYBMUJFWSA-N 251.330 1.655 0 50 CDAA Cc1nccn1CC(=O)NC1(c2ccccc2)COC1 888563568 VHFABDLZKADXHH-UHFFFAOYSA-N 271.320 1.233 0 50 CDAA CCn1cnnc1SC[C@]1(C(=O)OC)CCCO1 1775992016 IPOIKZXLDXHTAW-NSHDSACASA-N 271.342 1.112 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C2CCN(c3ncc(F)cn3)CC2)O1 1775958168 IJELGFYDXKXVTA-NWDGAFQWSA-N 295.314 1.464 0 50 CDAA Clc1cccnc1N1CCN(CCn2cncn2)CC1 32587357 ILEUMVOSNRZWSJ-UHFFFAOYSA-N 292.774 1.149 0 50 CDAA CN(Cc1nccn1C)C(=O)[C@@H](N)CC1CCCCC1 261689181 HMXZQTBFDPHWMX-ZDUSSCGKSA-N 278.400 1.676 0 50 CDAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccoc1 182555437 ZCHVZBWYEMJQRL-VXGBXAGGSA-N 257.355 1.725 0 50 CDAA Cn1nc(NC(=O)CC2=CCCCC2)cc1C(=O)O 725233609 GOJOBYVRLOWMEA-UHFFFAOYSA-N 263.297 1.947 0 50 CDAA CC(C)[C@](C)(CO)NC(=O)c1cc(C(F)F)n(C)n1 936046075 WXOXDPWMJJIXFB-LBPRGKRZSA-N 275.299 1.495 0 50 CDAA N[C@@H]1CCc2ccccc2N(Cc2nncs2)C1 952876647 DCSKWEMMDPXEHG-LLVKDONJSA-N 260.366 1.818 0 50 CDAA Cc1nc(=Nc2ncc(C)c(N(C)C)n2)[nH]s1 2100534673 SUQOVAUNRNUJMY-UHFFFAOYSA-N 250.331 1.176 0 50 CDAA Cn1cnc2nc(-c3cccc4ccnn34)ncc21 2100482906 FZDZXLWXKSCTLP-UHFFFAOYSA-N 250.265 1.678 0 50 CDAA O=C(O)[C@H]1CNc2cccc(Br)c2O1 211953740 DCEUMEFZTOBKER-SSDOTTSWSA-N 258.071 1.707 0 50 CDAA COC[C@@H](NC(=O)c1cnoc1CC(C)C)[C@H]1CCCO1 2325806387 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CO[C@H]1CN(Cc2c3c(nn2C)CCCC3)CCO1 685943553 VZBBBMASCKPZMO-CQSZACIVSA-N 265.357 1.104 0 50 CDAA C[C@@H](c1ccncn1)N(C)C(=O)CCc1cn[nH]c1 952873002 UNMRMCUSJNFFOC-JTQLQIEISA-N 259.313 1.352 0 50 CDAA COC(=O)[C@H](CC(C)C)NC(=O)CNCc1ccccc1 71782576 MUUIBHPGLLKBLJ-AWEZNQCLSA-N 292.379 1.480 0 50 CDAA O=C(N[C@@H]1CCCn2ncnc21)c1cncc(F)c1 268295049 VZYFOQYUBMDRRP-SNVBAGLBSA-N 261.260 1.077 0 50 CDAA NCCC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 269131885 VOQHVMPHQQEOTA-KBPBESRZSA-N 262.353 1.450 0 50 CDAA Cc1ccc2oc(C(=O)N(C)CC3(CO)CC3)cc2n1 189107686 VBMJATSZWDCYEI-UHFFFAOYSA-N 274.320 1.981 0 50 CDAA CCO[C@H]1C[C@H](N(C)S(N)(=O)=O)C12CCCCC2 169998685 UPHYDASEEPLCAW-QWRGUYRKSA-N 276.402 1.250 0 50 CDAA Cc1cccc(C)c1CN1CCN(CC(=O)O)CC1 215470161 FREFHRGEJFUNDP-UHFFFAOYSA-N 262.353 1.506 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CO[C@H](C)C2)cc1 408488357 NKQVPDAHPLOYBF-GHMZBOCLSA-N 283.349 1.225 0 50 CDAA O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 636329134 IZCOVAARBRSEMY-FPVZYODXSA-N 289.379 1.665 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)N[C@H](c2ccccc2)c2nc[nH]n2)C1 564991929 DGFXGTKUIYIZOO-MGPQQGTHSA-N 299.378 1.528 0 50 CDAA CC(C)C[C@H](CNC(=O)C1(C(=O)O)CC1)CC(=O)O 585095659 ZVESBNFUGSMSEC-VIFPVBQESA-N 271.313 1.104 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CC[C@@H](n2ccnn2)C1 585127002 NCUDOCIPTZGZOD-IGQOVBAYSA-N 274.368 1.878 0 50 CDAA c1cc(-c2noc([C@H]3CCc4nnnn4CC3)n2)ccn1 585133575 MLMCOKOTJNDMPM-JTQLQIEISA-N 283.295 1.238 0 50 CDAA Cn1ccc(C(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)n1 585123814 AJIJJFHKLBJDSS-HNNXBMFYSA-N 293.367 1.757 0 50 CDAA O=C(COc1ccc(CO)cc1)N[C@H]1CCC[C@H]1F 1614645923 ZKTIOLGUCQIEHF-OLZOCXBDSA-N 267.300 1.565 0 50 CDAA CCn1cc(CN(C)C(=O)N[C@@H]2CC[C@@H]2COC)cn1 1615044621 LMFRUEHWPVDSEV-CHWSQXEVSA-N 280.372 1.469 0 50 CDAA CCCc1nc(C(=O)N2CCN(C)[C@@]3(CCOC3)C2)co1 1615588686 CTRAGZQFHZONPM-HNNXBMFYSA-N 293.367 1.174 0 50 CDAA Cn1cnc2c3c(ccc21)N(CC(=O)N1CCCC1)CCC3 1616030190 AAKHCTSTCZOKAX-UHFFFAOYSA-N 298.390 1.948 0 50 CDAA CC[C@@]1(C(N)=O)CCCN(c2ccncc2F)C1 1506427674 MGAGWCNPMAZDAN-CYBMUJFWSA-N 251.305 1.703 0 50 CDAA CC(C)C[C@@H]1CN(c2cc(C(N)=O)ccn2)CCO1 1506410997 NNGLWNHSVUFCHJ-GFCCVEGCSA-N 263.341 1.432 0 50 CDAA COc1ncc(CN(C)CCc2scnc2C)cn1 1506415380 NLUVCUKQTPTYSN-UHFFFAOYSA-N 278.381 1.925 0 50 CDAA Cc1ccsc1CCNC(=O)[C@@H]1COC(=O)[C@H]1C 19113114 CKZSDWYUTIGIPU-VHSXEESVSA-N 267.350 1.524 0 50 CDAA NCCS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 19765764 UFQLMUNSFFZSNH-JTQLQIEISA-N 284.768 1.664 0 50 CDAA CCc1nc(CN2CCC(Oc3ccncc3)CC2)n[nH]1 1506406754 FZNVKQZYMQKXEX-UHFFFAOYSA-N 287.367 1.806 0 50 CDAA Cc1nn(C)c2ncc(CNC[C@@H]3CCCN3C)cc12 221142373 WMOVIEJCNSGBKX-ZDUSSCGKSA-N 273.384 1.461 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)cc1 111713142 DQMSATPTOWMMNV-NWDGAFQWSA-N 298.408 1.443 0 50 CDAA O=C(c1ccsc1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529159514 ROVGRHKTAWIUAQ-DGCLKSJQSA-N 289.360 1.214 0 50 CDAA CCNC(=O)[C@H]1CCN(c2nc(C)nc3ccccc23)C1 1529180653 GYYWTFKTHSJNIF-LBPRGKRZSA-N 284.363 1.901 0 50 CDAA COc1ccc(CN(CCO)Cc2ncc[nH]2)c(F)c1 1704310287 QUUQVOZXMVLFGH-UHFFFAOYSA-N 279.315 1.552 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(Cl)cn1 128187786 LQZHGTWXELLUMH-SECBINFHSA-N 284.699 1.051 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)CCc1cccs1 128226742 UUOHGENNSLVDNG-SNVBAGLBSA-N 283.349 1.383 0 50 CDAA CNS(=O)(=O)c1cc(Cl)sc1C(=O)OC 20134894 XPJZPHCNBFFGDB-UHFFFAOYSA-N 269.731 1.096 0 50 CDAA in-vitro Cc1ccccc1C(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 15927369 AHYLDNWPKSFHKJ-UHFFFAOYSA-N 297.314 1.445 0 50 CDAA CSc1ccc(/C=c2\sc3ncnn3c2=O)cc1 16266765 LIEQSWTVPJVTQZ-POHAHGRESA-N 275.358 1.421 0 50 CDAA CC(C)NC(=O)Cc1c(O)[nH]c2ccccc2c1=O 18142280 KPOCDUZAWSRFAC-UHFFFAOYSA-N 260.293 1.301 0 50 CDAA biogenic COc1cc(NC(=O)CCN2CCOCC2)cc(OC)c1 19841472 RWKFXXGWLPUKLA-UHFFFAOYSA-N 294.351 1.365 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1n[nH]c2ccccc12 154664008 KWVURJLXHLYSFA-VIFPVBQESA-N 279.365 1.407 0 50 CDAA Cc1cc(C)n(CCCN(C)C[C@@H](O)C2CCNCC2)n1 1857677373 YUPBPBXRMXFXNK-MRXNPFEDSA-N 294.443 1.182 0 50 CDAA CN1CCN(c2ccc(C(=O)N3C[C@H]4C[C@]4(C)C3)cc2)CC1 1857691271 CPKVVZASFNWDEW-CRAIPNDOSA-N 299.418 1.920 0 50 CDAA COCCO[C@@H](C)c1nnc2n1CC[C@H](C(=O)OC)CC2 601043988 LLGPUVHMOPEDQE-WDEREUQCSA-N 297.355 1.128 0 50 CDAA Cc1c(F)cccc1-c1ccc(CNC(CO)CO)o1 225421639 ULAHYNWNIVJKRF-UHFFFAOYSA-N 279.311 1.837 0 50 CDAA CCN1CCN(C(=O)c2cccs2)C[C@@H]1c1ncc[nH]1 328639761 XBZMPKIOJXNMTG-LLVKDONJSA-N 290.392 1.990 0 50 CDAA C[C@H]1CNCCN1C(=O)c1ccc(N2CCCC2)nc1 125854132 DORJCEMBFZVSNF-LBPRGKRZSA-N 274.368 1.116 0 50 CDAA Cc1ncc(C(=O)N2CCC[C@@H](OCC3CC3)C2)c(=N)[nH]1 547667068 AXAHUZJHBLTPPU-GFCCVEGCSA-N 290.367 1.229 0 50 CDAA Nc1[nH]nc(C(=O)N[C@H]2CC[C@H](N)C2)c1-c1ccccc1 247694073 YFLDWGDFENRKEF-QWRGUYRKSA-N 285.351 1.269 0 50 CDAA CCOC(=O)CN1CCCN(c2cc(C)ccn2)CC1 253428191 IESMKCUONOJRFR-UHFFFAOYSA-N 277.368 1.465 0 50 CDAA CO[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(Cl)cc1 262421850 QHDRPTGUTQXKJP-SDDRHHMPSA-N 297.738 1.864 0 50 CDAA COc1ccc2c(N(C)C[C@@H](C)C(=O)O)ncnc2c1F 263543370 FGEJAYBGXPWZHC-MRVPVSSYSA-N 293.298 1.934 0 50 CDAA CCn1ccc(C(=O)NCc2ncc(C)cn2)c1C 910676347 YNKHNYJJMDNXRO-UHFFFAOYSA-N 258.325 1.845 0 50 CDAA CCCc1cc(C(=O)NCc2cc(C)nc(O)c2)n[nH]1 911084411 CGDYWWSLNBNKFM-UHFFFAOYSA-N 274.324 1.701 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)N(C)C(C)C 911939335 OTLOYXXWSWWGDN-OAHLLOKOSA-N 262.353 1.662 0 50 CDAA Cc1nocc1NC(=O)NCc1nc(CN(C)C)cs1 931814227 DGFMCRLXVLCSNY-UHFFFAOYSA-N 295.368 1.823 0 50 CDAA N[C@H]1C[C@@H](NC(=O)c2cncnc2-c2ccccc2)C1 1263320610 FIWZPZPYHXYYKA-TXEJJXNPSA-N 268.320 1.363 0 50 CDAA C=CC(=O)N[C@H](Cc1nc(C)no1)c1ccccc1 1120553414 YQRIQTSEGHVINC-GFCCVEGCSA-N 257.293 1.964 0 50 CDAA Cc1cc(O)c(COC(=O)Cc2c[nH]c3cnccc23)nn1 1122728915 FDQAOKWVVBCDKO-UHFFFAOYSA-N 298.302 1.653 0 50 CDAA C=CC(=O)N(C)CC(=O)NCCc1cccs1 858155451 ISOBXBIKBITEAL-UHFFFAOYSA-N 252.339 1.051 0 50 CDAA Cn1nc(C(F)(F)F)cc1CN1C[C@@H]2CCC[C@]2(N)C1 864055637 USCZZIJLDJTEMU-CABZTGNLSA-N 288.317 1.752 0 50 CDAA CC[C@H]1CN(C(=O)c2csc(CN)n2)C[C@H](C)O1 237066934 DYUJBYJOKPYPDT-IUCAKERBSA-N 269.370 1.241 0 50 CDAA O=C(CCc1cccc(O)n1)N1CC[C@H]2CC[C@@H](O)[C@H]1C2 1875295597 KQDZHYWGCMZCNX-MRVWCRGKSA-N 290.363 1.482 0 50 CDAA C[C@@H](NC(=O)C1(C(=O)O)CCOCC1)c1ncccc1F 1875292708 QJMCSSDOEXYZKM-SECBINFHSA-N 296.298 1.279 0 50 CDAA CC(C)c1ccc2cc(C(=O)N3C[C@@H](O)[C@H](O)C3)[nH]c2c1 1875297909 IFAAIBVVGOAVAF-HUUCEWRRSA-N 288.347 1.469 0 50 CDAA N=c1[nH]cncc1C(=O)OCC[C@@H]1C[C@H]2CC[C@H]1C2 1875255704 YMOXNLPQTYTDQB-GARJFASQSA-N 261.325 1.872 0 50 CDAA CN(C(=O)c1cc(C(N)=O)no1)c1ccc2cc[nH]c2c1 1875305273 OKKQVYPQQWZHTQ-UHFFFAOYSA-N 284.275 1.531 0 50 CDAA CN1CCN(C(=O)c2cn3cccc(Cl)c3n2)[C@@H]2C[C@@H]21 1875308329 AOOWBUZNHOKNEA-NWDGAFQWSA-N 290.754 1.516 0 50 CDAA CCOCCN[C@H](c1ccc(C)nc1)c1cncn1C 888098922 RBPIZONQSIITHW-OAHLLOKOSA-N 274.368 1.839 0 50 CDAA CC1(C)OC[C@H]2C[C@]21C(=O)OCc1nnc2ccccc2n1 1773454359 AKYAQDCUUQVARM-QLJPJBMISA-N 299.330 1.883 0 50 CDAA C/C(=C\Cl)CS(=O)(=O)[C@@H](C)c1n[nH]c(C)n1 899496239 HIONVMSJTBYWKC-KNIZRNDPSA-N 263.750 1.732 0 50 CDAA CC(C)(C)CC(=O)Nc1nnc2c(C(=O)O)cccn12 40449841 JSBSUEZTYBZSKO-UHFFFAOYSA-N 276.296 1.802 0 50 CDAA in-vitro Nc1nccnc1C(=O)Nc1ccc2c[nH]nc2c1 172128763 CGVLWKPMTKOTOF-UHFFFAOYSA-N 254.253 1.187 0 50 CDAA COCc1noc(CN(C)Cc2cc(C)on2)n1 182034470 ROEQZTNAUPMBNM-UHFFFAOYSA-N 252.274 1.144 0 50 CDAA CCCN1CC[C@H](NC2CSCCSC2)C1 670458260 ABVGTNZVGPJPOO-NSHDSACASA-N 260.472 1.909 0 50 CDAA CO[C@H](C(=O)NCc1cccc(C(=O)O)c1)C1CC1 668274158 WFQRLXHQSYABEQ-LBPRGKRZSA-N 263.293 1.426 0 50 CDAA C[C@](O)(CNC(=O)c1csc2cncn12)C(F)(F)F 331509899 ZWLPGRPTGMYMJD-VIFPVBQESA-N 293.270 1.439 0 50 CDAA CCc1cnc(N)nc1NCCCC(C)(C)CO 95386590 RKLSLIVCFKCLHU-UHFFFAOYSA-N 252.362 1.832 0 50 CDAA CN(Cc1cnccc1Cl)CC1CCN(CCO)CC1 670452903 JCQCFHUYWKPXDD-UHFFFAOYSA-N 297.830 1.871 0 50 CDAA CN1CCC[C@H]1C(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 673315814 ZXTVCINZIJIZCL-XEUBVLPRSA-N 278.396 1.281 0 50 CDAA CC1(C)C[C@@H](Nc2nccs2)CCS1(=O)=O 896997544 AUIFNAJYAWPAHG-QMMMGPOBSA-N 260.384 1.911 0 50 CDAA Cc1ccc(-n2cc(CN3CCOC[C@H]3C)nn2)nc1 899731292 XOPBCWHCNDXMQZ-GFCCVEGCSA-N 273.340 1.191 0 50 CDAA Cc1nc(-c2ccccc2O)n(CCN2CCOCC2)n1 19874179 JQIASTUALSHDTD-UHFFFAOYSA-N 288.351 1.291 0 50 CDAA CCC(CC)(CNC[C@H](O)[C@H]1CCCO1)C(=O)O 2325790383 HXDUJGOHISERGO-WDEREUQCSA-N 259.346 1.007 0 50 CDAA CN(C(=O)C1CC(C)(c2ccccc2)C1)[C@@H]1COC[C@H]1O 2325796459 RQUWVDKZCILWME-QJKCGZJTSA-N 289.375 1.572 0 50 CDAA CC(C)[C@@H](C(=O)NCc1cc(N)cc(F)c1)N(C)C 877324142 MJXZMIFPOWDDSW-ZDUSSCGKSA-N 267.348 1.610 0 50 CDAA Cc1ccc(-n2c(C)cc(C)c(C(N)=O)c2=O)cc1 140246 QMQVGHQBNVQRLT-UHFFFAOYSA-N 256.305 1.862 0 50 CDAA O=C1C[C@@H](NCc2ccco2)C(=O)N1c1ccc(F)cc1 62811 ODDXKFQPDGNTNG-CYBMUJFWSA-N 288.278 1.840 0 50 CDAA COc1cc(OC)nc([C@@H]2CCCC[C@H]2C(=O)O)n1 154354 ITLOSRQFUNFUGL-RKDXNWHRSA-N 266.297 1.852 0 50 CDAA O=C(Nc1ccc(C(F)(F)F)cc1)C1=NCCN1 538408 YXSGZIFIOISJKM-UHFFFAOYSA-N 257.215 1.646 0 50 CDAA CC[C@@H](Sc1nnnn1C)C(=O)Nc1nccs1 615959 DUPYYDZIXHSTEZ-ZCFIWIBFSA-N 284.370 1.176 0 50 CDAA O=C(NN1C(=O)c2ccccc2C1=O)[C@H](O)c1ccccc1 1077125 XPONIFADKXMQIG-CYBMUJFWSA-N 296.282 1.047 0 50 CDAA COc1ccc(CNCCSc2nnnn2C)cc1 2178157 LCIYGVCSGGUUQR-UHFFFAOYSA-N 279.369 1.101 0 50 CDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cncc(O)c3)C[C@H]21 2356142350 OPZHYNGFTISZFD-PEYYIBSZSA-N 290.363 1.800 0 50 CDAA Cc1cc(-c2nnc3n2[C@H](C)C(=O)N(C2CC2)C3)n(C)n1 2356144039 HGESLDAFOXSAAJ-SECBINFHSA-N 286.339 1.053 0 50 CDAA CCn1ncnc1CN(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 2356148613 INSDISORIAZJKO-NMWPEEMBSA-N 291.443 1.849 0 50 CDAA Cc1cccc(C)c1OCC(=O)NC[C@@H]1CCCO1 2866421 URHQVWQKWGVDST-ZDUSSCGKSA-N 263.337 1.977 0 50 CDAA CCS(=O)(=O)N1CCC(N2C[C@H](C)C[C@@H](C)C2)CC1 4745389 BAXBNFXLWWMJOV-CHWSQXEVSA-N 288.457 1.778 0 50 CDAA Cc1csc2ncc(C(=O)NC(C)(C)C)c(=O)n12 6452290 LRXXWUUQWUIAAM-UHFFFAOYSA-N 265.338 1.593 0 50 CDAA COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 6697997 SPRGBXNKRUHQAC-OLZOCXBDSA-N 290.363 1.499 0 50 CDAA CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2C)CC1 6698280 YJXBDYCUOCYFIZ-NSHDSACASA-N 252.358 1.646 0 50 CDAA C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)c1ccccc1 225517879 GKMPVGMMODROHF-WCQYABFASA-N 260.337 1.575 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccoc1 100641393 SGWSACQEQBEJCG-YFKTTZPYSA-N 261.277 1.419 0 50 CDAA COc1ccc(CN2CC[C@H](O)[C@@H](CO)C2)cc1C 414561912 SZFSJGXCPBSHIW-KGLIPLIRSA-N 265.353 1.179 0 50 CDAA O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@@H]1CCNC1 414802785 VXPXZLTTWNHGDH-CYBMUJFWSA-N 288.351 1.519 0 50 CDAA Cc1c[nH]c(C(=O)N(C)Cc2noc(C3CC3)n2)n1 20996743 ACTVQGOBVBKOJP-UHFFFAOYSA-N 261.285 1.251 0 50 CDAA Cc1nsc(NC(=O)N2CCC([C@H](C)O)CC2)n1 55036678 KOULPSVWYJYKBP-ZETCQYMHSA-N 270.358 1.471 0 50 CDAA COC[C@@H]1CCCN1C(=O)c1cccc(NCC(=O)O)c1 55196487 ZBHDSVOLWHGSRA-ZDUSSCGKSA-N 292.335 1.434 0 50 CDAA c1cnc(N2CCC(Cn3cc(C4CC4)nn3)CC2)cn1 23129940 DDYXPMLLHRNZOG-UHFFFAOYSA-N 284.367 1.862 0 50 CDAA CC(=O)c1ccc(C(=O)NCc2nccn2C)cc1 20661128 SRYJMYAKCHKOQG-UHFFFAOYSA-N 257.293 1.553 0 50 CDAA Nc1ccc(Br)cc1C(=O)NC1CC1 67796631 HJGALSGTDWHWKU-UHFFFAOYSA-N 255.115 1.924 0 50 CDAA C[C@@H](C(=O)NCCc1cn2ccccc2n1)n1cccn1 20636970 RSKKWIFJTNXRMJ-LBPRGKRZSA-N 283.335 1.451 0 50 CDAA COc1cccc2c(C)cc(N(CCO)CCO)nc12 23550152 JUMMLJUYEJVWPY-UHFFFAOYSA-N 276.336 1.343 0 50 CDAA CCN(C(=O)c1csc(SC)n1)[C@H](C)CO 67713248 SQLRYRIDSPMTHK-SSDOTTSWSA-N 260.384 1.708 0 50 CDAA CC(C)(C)OC(=O)N1CC2(C[C@H](CCO)CO2)C1 306145723 OOBZHIZSNNWCNU-JTQLQIEISA-N 257.330 1.395 0 50 CDAA Cc1n[nH]c(=N[C@@H]2CCN(c3ncccc3F)C2)o1 376407439 MHACQJHCRQBSSH-SECBINFHSA-N 263.276 1.025 0 50 CDAA O=C(c1cc2sccc2[nH]1)N1CCC(O)(CO)CC1 67713166 MTMOLAUHURZMMH-UHFFFAOYSA-N 280.349 1.189 0 50 CDAA CCN(CC)CCCNC1CCN(C(C)=O)CC1 32917413 GKMUVZXDDZGWQW-UHFFFAOYSA-N 255.406 1.319 0 50 CDAA Cc1nc(C2CCN(C(=O)[C@H](O)CC(C)C)CC2)no1 216459346 RAABROVDOJYPGA-GFCCVEGCSA-N 281.356 1.491 0 50 CDAA Cc1c[nH]c([C@H](C)NC(=O)C(=O)c2cccn2C)n1 219245090 YJVGYSOPBQAYIF-VIFPVBQESA-N 260.297 1.117 0 50 CDAA C[C@H]1C[C@H](C(=O)Nc2nc(-c3cnn(C)c3)cs2)CO1 331418795 RALQWKFSTWYQBY-IUCAKERBSA-N 292.364 1.907 0 50 CDAA CC(C)Cc1cc(CN(C)[C@H]2CCN(C)C2)n[nH]1 219288295 RZCLPEWXGSVZSO-AWEZNQCLSA-N 250.390 1.744 0 50 CDAA Cc1ccc(C)c(CN2CCN(C)[C@H](CCO)C2)c1 39430137 KCQXCZWYBYENKU-MRXNPFEDSA-N 262.397 1.802 0 50 CDAA C/C(=C\C(=O)N1CCO[C@@H](CC(=O)O)C1)c1ccccc1 364880300 ZMFUSRKNZIEUOD-TZIYXEQSSA-N 289.331 1.792 0 50 CDAA COc1ccnc(CN2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)c1OC 72153317 DLWBIIJHTZYFBE-VWUVDNNOSA-N 290.363 1.708 0 50 CDAA Cc1cc(N2[C@H]3COC[C@H]2C3)n2nc(C(F)(F)F)nc2n1 521398373 BKUUVQOJIZHSTP-HTQZYQBOSA-N 299.256 1.429 0 50 CDAA O=C([C@H]1CCCN1)N1CCO[C@@H](c2ccccc2Cl)C1 237654734 KCEUNLKJINKETI-ZIAGYGMSSA-N 294.782 1.992 0 50 CDAA N[C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 237929728 CQEUGVRVASJTSL-GFCCVEGCSA-N 256.309 1.046 0 50 CDAA CCOC1(OCC)CCN(C(=O)OC(C)(C)C)C[C@@H]1N 72267272 DXICWTCECGHECU-NSHDSACASA-N 288.388 1.724 0 50 CDAA Cc1[nH]nc2ncc(NC(=O)[C@H]3CCc4nncn4C3)cc12 522057412 BWYNAWAQTSADGP-VIFPVBQESA-N 297.322 1.059 0 50 CDAA Cc1cc(NCc2nnc3n2CCCC3)nc(N(C)C)n1 32519476 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N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](N2CCCCCC2)C1 299738595 CPSSXBMUORADFB-ARFHVFGLSA-N 293.455 1.981 0 50 CDAA Cc1ccccc1[C@@H](CNC(=O)NCCF)N(C)C 534675217 TVKAVFNZIMNDIK-CYBMUJFWSA-N 267.348 1.866 0 50 CDAA CCCCOCC(=O)N[C@@H](CO)c1ccc(F)cc1 356371102 XGPQGRUDFOLTNB-ZDUSSCGKSA-N 269.316 1.792 0 50 CDAA CC[C@@H](NC(=O)c1c(Cl)cnn1C)c1ncnn1CC 534660342 XLCHFVAUVDNBSM-SECBINFHSA-N 296.762 1.566 0 50 CDAA Cc1cc(C)n(CCCC(=O)NCc2cccnc2N)n1 534576070 SDIZASGGWXGTQH-UHFFFAOYSA-N 287.367 1.574 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC2CCN(CC(=O)O)CC2)n1 534647252 YUTUTSGWXBRUFF-GFCCVEGCSA-N 294.399 1.027 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)NC1(CO)CCCC1 534644675 NTJQKKIJIXPCQE-LLVKDONJSA-N 295.387 1.353 0 50 CDAA Cc1nnc(CCNC(=O)c2ccn(C(C)C)n2)s1 291534466 WQIGSVYYGYXTES-UHFFFAOYSA-N 279.369 1.596 0 50 CDAA CSCCN1CCN(C(=O)Cc2c(C)n[nH]c2C)CC1 299785248 YJYKJSFDCHABHL-UHFFFAOYSA-N 296.440 1.076 0 50 CDAA Cc1nncn1CCN1CCC[C@H](C(C)(C)O)C1 825297050 NIBYSASWGVONFJ-LBPRGKRZSA-N 252.362 1.069 0 50 CDAA COc1ncc(CN(C)CCC[C@@H]2CCCO2)cn1 824851996 MWBQFISYQSMNLA-CYBMUJFWSA-N 265.357 1.876 0 50 CDAA COc1ccc(CCNC(=O)/C=C/c2cnc(N)nc2)cc1 824664770 VPTFHNSPNMQTIS-QPJJXVBHSA-N 298.346 1.440 0 50 CDAA CN1C[C@H](C(=O)O)[C@]2(CCc3ccccc3C2=O)C1 665887158 GKPIRPFNWLQJMF-DOMZBBRYSA-N 259.305 1.448 0 50 CDAA CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)O 585134975 RJGNXHMDOSKIJR-MXWKQRLJSA-N 279.340 1.139 0 50 CDAA CCOc1ccc(CCCNC(=O)N2CC[C@@H](O)C2)cc1 584894412 JASBQKDGVQQCEU-CQSZACIVSA-N 292.379 1.794 0 50 CDAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2ccc(CO)o2)C1 670456678 AXRKDZRFDKCCRM-LLVKDONJSA-N 294.351 1.149 0 50 CDAA N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1 584880088 LRPRYPGMYOSILY-UHFFFAOYSA-N 268.338 1.686 0 50 CDAA CNC(=O)C[C@@H]1CCN(Cc2cccc(OC)c2F)C1 670446863 ITJHXSCDOMZCGN-NSHDSACASA-N 280.343 1.792 0 50 CDAA CCCN1C[C@H](NCc2cc(C(C)=O)cn2C)CC1=O 952971473 ONNRECWOQZGAGN-CYBMUJFWSA-N 277.368 1.328 0 50 CDAA CCN1CC[C@@H](CN(CC)C(=O)C2(N)CCCC2)C1 952991354 XUSLOBKFLXECHW-CYBMUJFWSA-N 267.417 1.448 0 50 CDAA CCOc1ccc(CN(C)[C@H](C)CC(N)=O)cc1CO 952872787 TXQZTMCGVXQFAQ-LLVKDONJSA-N 280.368 1.273 0 50 CDAA OC[C@H]1CCCCN1CCCNCc1nccs1 952965147 QLXNIPRKLFLVQZ-GFCCVEGCSA-N 269.414 1.470 0 50 CDAA CCCn1ccnc1CNC(=O)[C@@H]1CCC[C@H](O)C1 1565526893 QWXSIXHDAYFCKC-NEPJUHHUSA-N 265.357 1.460 0 50 CDAA Cc1c(C(=O)N2CC(C)(C)Oc3ccccc32)nnn1C 269166663 QIHLMELLNHJMOM-UHFFFAOYSA-N 286.335 1.941 0 50 CDAA CC1=C(C(=O)N(CC2CC2)C[C@@H]2CCCO2)OCCO1 952967582 KGOBFSQMWZPTMP-ZDUSSCGKSA-N 281.352 1.682 0 50 CDAA N[C@@H]1C[C@@H](NC(=O)c2cccc3c2CCOC3)C12CCC2 1580163771 PAGWVJUMILUADF-HUUCEWRRSA-N 286.375 1.759 0 50 CDAA CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 95634777 ANDTXJJNCYFCGK-JTQLQIEISA-N 271.313 1.376 0 50 CDAA in-vitro CCCSCc1nc(-c2cn(C)c(O)nc2=O)no1 277783684 ACXXBUMKTFVPBU-UHFFFAOYSA-N 282.325 1.179 0 50 CDAA C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N=c1[nH][nH]c2cc(F)ccc12 407965591 LUJNIZSSMOJUPR-SXMVTHIZSA-N 277.299 1.876 0 50 CDAA C[C@@H](C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C)n1cncn1 188714362 RXBZQOHUWKGAGT-TUAOUCFPSA-N 280.372 1.407 0 50 CDAA COC(=O)[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1C 187974224 ZNMLHRSGONTHKR-CMPLNLGQSA-N 262.309 1.353 0 50 CDAA O=C(N[C@@H]1CCCn2nccc21)[C@@H]1C[C@H]1C1CCOCC1 636370003 BBIODUFHQQUFQI-BFHYXJOUSA-N 289.379 1.897 0 50 CDAA CCN(CC)Cc1cn(CC(=O)N2CCC(C)CC2)nn1 640776587 JFOGLKQBCLDESG-UHFFFAOYSA-N 293.415 1.378 0 50 CDAA COC1([C@H](C)NC2CCN(CCO)CC2)CCCC1 643347678 ZGLODNDXRIGLBM-ZDUSSCGKSA-N 270.417 1.380 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1cc(F)ccc1C 643764334 USOVSCRWDVKBHB-OAHLLOKOSA-N 280.343 1.600 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1oc(C)cc1C 643852251 YZLZLYDIRFCTSS-CQSZACIVSA-N 281.308 1.602 0 50 CDAA CCn1cc(OC(=O)[C@H]2CC(=O)Nc3ccccc32)cn1 192009618 ROWFXKVOAMODQL-LBPRGKRZSA-N 285.303 1.934 0 50 CDAA Cc1c(Cl)cccc1C(=O)N1CC[C@H](CO)[C@H](O)C1 192659348 SJCSTYKKMZIDDX-ZWNOBZJWSA-N 283.755 1.464 0 50 CDAA Cc1ccc(-c2nn(C)cc2CN2CCC[C@@H](N)C2)o1 647482233 NHKQGKHBIVUPSE-CYBMUJFWSA-N 274.368 1.912 0 50 CDAA NCC12CCC(CC1)CN2S(=O)(=O)c1ccco1 566020309 MBCNYBLJAZGDQK-UHFFFAOYSA-N 270.354 1.172 0 50 CDAA Oc1nc(N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)nc2ccccc12 664112579 MJMVAANNHPUXPN-YNEHKIRRSA-N 297.318 1.318 0 50 CDAA Cn1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 581955492 NVHSJEJIAPKLKP-RBSFLKMASA-N 291.395 1.505 0 50 CDAA COC(=O)C1(Cn2ccc(Br)cc2=O)CC1 585122996 OLFMHYHMKXCCKL-UHFFFAOYSA-N 286.125 1.564 0 50 CDAA C[C@@H]1CN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CCO1 736292667 QMPPLQOEGBBDQO-GHMZBOCLSA-N 273.340 1.648 0 50 CDAA COc1cc(C(=O)N(C)Cc2c[nH]nc2C)ccn1 952869621 WVKAXCOUKIGRAV-UHFFFAOYSA-N 260.297 1.394 0 50 CDAA CCCc1nnc(N2CCC[C@](COC)(C(=O)O)C2)s1 1615051005 APNXEMNFADLAGK-ZDUSSCGKSA-N 299.396 1.808 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)Nc1cnc2cc(C(=O)O)ccn12 1615055226 KLQVSQUGUPXFMB-APPZFPTMSA-N 259.265 1.627 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccon1 217648301 NQLZZZIKWARCBB-MIMYLULJSA-N 264.281 1.533 0 50 CDAA COCC(=O)Nc1ccc(NC(=O)[C@H](N)C(C)C)cc1C 1506419618 GSZQGTOFYDKKTK-CQSZACIVSA-N 293.367 1.502 0 50 CDAA CCc1nccn1C[C@@H](C)N1CCN(C(C)C)CC1 1506397410 UXQQBRDMODMDGE-CQSZACIVSA-N 264.417 1.860 0 50 CDAA CCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2O)s1 218953703 FJQOCOWTNAKDOU-NXEZZACHSA-N 255.339 1.190 0 50 CDAA c1c[nH]c(CN2CCc3[nH]nc(C4CC4)c3CC2)n1 1857675794 JLOURVQETOKTPE-UHFFFAOYSA-N 257.341 1.611 0 50 CDAA CCOCCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529186615 ITDBULRCDBMJAS-ZIAGYGMSSA-N 278.352 1.182 0 50 CDAA CC(C)c1nccn1CCCNc1nccc(N)n1 1529191951 KJYFLNNRYRJXJE-UHFFFAOYSA-N 260.345 1.881 0 50 CDAA CN(CC[C@H]1CCCCO1)c1cnc(C(=O)O)cn1 1529112863 SQMBNPUVBRIDCO-SNVBAGLBSA-N 265.313 1.570 0 50 CDAA O[C@H]1CN(Cc2cccnc2)C[C@H]1Cc1ccncc1 1529172764 HXKGAUQAIKQNEM-CVEARBPZSA-N 269.348 1.512 0 50 CDAA C[C@@H]1CN(C(=O)CCc2nccs2)CCC1=O 329402052 YJXMPOOOMKTBHD-SECBINFHSA-N 252.339 1.513 0 50 CDAA O=C(O)CCN(C(=O)c1ccoc1)C1CCOCC1 238076197 NHTNBBSEVBNHEG-UHFFFAOYSA-N 267.281 1.376 0 50 CDAA CCc1nnc(CS(=O)(=O)c2cccnc2)s1 1652220246 UIFMCJMWFSUWAQ-UHFFFAOYSA-N 269.351 1.469 0 50 CDAA O=C(CN1C[C@H]2C[C@H](O)C[C@H]2C1)NCCc1ccccc1 1775983508 ZAVWCOCUTLVMTR-ZSHCYNCHSA-N 288.391 1.048 0 50 CDAA Cc1nc(CN2C[C@@H]3COCC[C@]3(CO)C2)sc1C 1772709162 IEFZHPWFBLACFJ-TZMCWYRMSA-N 282.409 1.591 0 50 CDAA CN1CCN(c2ncnc3[nH]ccc23)CC12CCOCC2 1775981072 HVGBFXLAWCUAQF-UHFFFAOYSA-N 287.367 1.259 0 50 CDAA COc1ccc(C2=NO[C@H](C(=O)N3CCOCC3)C2)cc1 5029205 LMWAEWVBYBULHH-AWEZNQCLSA-N 290.319 1.047 0 50 CDAA COC(=O)CC1(N)CCN(C(=O)OC(C)(C)C)CC1 12650239 UJWYRWKTHZQRLH-UHFFFAOYSA-N 272.345 1.278 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 17029361 LTZZPTSSIYQHEK-LBPRGKRZSA-N 290.275 1.216 0 50 CDAA Cn1ncnc1CCNC(=O)c1cc(-c2ccccc2)no1 19301124 JZZQBKBVTZXMNA-UHFFFAOYSA-N 297.318 1.443 0 50 CDAA OCCN1CCN(C(=S)Nc2ccc(F)cc2)CC1 19797595 OUYUUTKJYPKMDE-UHFFFAOYSA-N 283.372 1.132 0 50 CDAA Cc1nc(O)cc(C2CCN(c3cncc(N)n3)CC2)n1 1857666438 KEDFWCNELUCJLT-UHFFFAOYSA-N 286.339 1.247 0 50 CDAA O=C(Cc1ccon1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 408262737 YVDOSLFVMIJZHQ-MGPQQGTHSA-N 278.352 1.759 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)O)C1(C)C 408355104 LAHUQUPODKAEIF-RVBSWOSCSA-N 255.314 1.027 0 50 CDAA Cc1cc(C(=O)N[C@@H](C)c2ncc(C(=O)O)s2)n[nH]1 621609535 OEZQPDQJAPZDQV-LURJTMIESA-N 280.309 1.364 0 50 CDAA CCN1CCN(C(=O)[C@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 328640579 XMYSCDVVPYADAC-CHWSQXEVSA-N 292.383 1.184 0 50 CDAA CN(CCC(=O)O)C(=O)c1cccc([C@H]2CCOC2)c1 648333311 IKNHFULLHGCWFE-ZDUSSCGKSA-N 277.320 1.737 0 50 CDAA Cc1cccc2c1N[C@@]1(NC2=O)C(=O)N(C)c2ccccc21 355286329 QIASHTTYMPCQSH-KRWDZBQOSA-N 293.326 1.980 0 50 CDAA CN(C)[C@H](C(=O)N1Cc2cncnc2C1)c1ccccc1 576647429 DMLIMOPGDYWJSP-HNNXBMFYSA-N 282.347 1.622 0 50 CDAA CCOC[C@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 366332747 ZVEBUSOHLXIIEL-ZDUSSCGKSA-N 288.391 1.368 0 50 CDAA CN(CC1(O)CCC1)C(=O)Cc1ccc2c(c1)CCCO2 579112409 KEYBKKZVPZLTHL-UHFFFAOYSA-N 289.375 1.928 0 50 CDAA C[C@H]1C[C@@H](C(=O)NCCn2cnccc2=O)CC(C)(C)C1 585130231 KTMHHGIAZBVNDM-QWHCGFSZSA-N 291.395 1.822 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@H]2C(N)=O)c2n[nH]cc2c1 263749354 FTTGQZPUHQTZPJ-GFCCVEGCSA-N 286.335 1.351 0 50 CDAA O=C(Cc1cccc(F)c1F)N1CC[C@H]2CC[C@@H](C1)N2 127625099 QGDKITWOKGUDOT-NEPJUHHUSA-N 280.318 1.860 0 50 CDAA CC1(C)C(C)(C)C1(C(=O)O)C(=O)N1CCC(C(=O)O)CC1 901430542 MFGGNSRHNBIHLZ-UHFFFAOYSA-N 297.351 1.447 0 50 CDAA Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)c2nccn2c1 902450485 OPJGJEKLZNTLPO-AOOOYVTPSA-N 273.292 1.236 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N1CC(O)(c2ccc(F)cc2)C1 802621595 GEFKJHUMQQFQNO-BXUZGUMPSA-N 293.338 1.671 0 50 CDAA CCn1nncc1C(=O)Nc1cccc(CCC(=O)O)c1 909510358 HJAFGRQHEDALEE-UHFFFAOYSA-N 288.307 1.568 0 50 CDAA C=CC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 848979205 PFCATARPMRHZPI-JTQLQIEISA-N 295.364 1.245 0 50 CDAA Cc1cnc(Cn2nc(C)c([C@@H]3COCCN3C)c2C)o1 852962034 BCLAHFZKAXIONU-ZDUSSCGKSA-N 290.367 1.848 0 50 CDAA O=C(CC1(O)CCCC1)Nc1n[nH]c2ccncc12 1875297843 FSVRIJKBARBUIC-UHFFFAOYSA-N 260.297 1.592 0 50 CDAA COc1cccc(C)c1C(=O)N=c1[nH][nH]c2c1CNC2 1875276630 JZZHPYFGDQPUDX-UHFFFAOYSA-N 272.308 1.004 0 50 CDAA Cc1nnc([C@]23CC[C@H]2CCN3C(=O)NC2CC2)o1 1875304432 KFDGMKWFSSNDAY-ZANVPECISA-N 262.313 1.561 0 50 CDAA N=c1nc(N2CC[C@@H]3CCC[C@H]32)[nH]c(=Nc2ccccc2)[nH]1 1875321320 DIUOTYKVBFBWNA-WCQYABFASA-N 296.378 1.828 0 50 CDAA c1cc(CNC[C@@H]2CCNC2)cc(-c2cncnc2)c1 1875303616 FVAMOIOAHVVGEE-CQSZACIVSA-N 268.364 1.843 0 50 CDAA C[C@@H](CNC(=O)NCC[S@@](=O)C(F)(F)F)C1CC1 888097345 FZJKQFKYUFMNNL-ULCDLSAGSA-N 286.319 1.600 0 50 CDAA O=C(NCc1nc2c([nH]1)CCCC2)[C@]1(F)CCOC1 1178921866 CNUMEYOHRKKUMY-ZDUSSCGKSA-N 267.304 1.033 0 50 CDAA O=C(c1nccc2occc12)N1CCCn2nncc2C1 894243047 FGDWGKRAHHAQTB-UHFFFAOYSA-N 283.291 1.465 0 50 CDAA CCc1nc2c(C(=O)N[C@]34CCC[C@@H]3NCC4)ccnc2[nH]1 1775600074 IHZMYFHJTNZRNN-ZBEGNZNMSA-N 299.378 1.535 0 50 CDAA C=CC(=O)NCCCCn1c(=O)oc2ccccc21 1775997004 PZVJPOJHNROZFO-UHFFFAOYSA-N 260.293 1.677 0 50 CDAA Cc1noc([C@@H]2CCCN([C@H](C)C(=O)NC3CC3)C2)n1 250897635 KVPUEDLKFOEHRC-MWLCHTKSSA-N 278.356 1.225 0 50 CDAA CNS(=O)(=O)[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 153877392 LEISIFKRNZOZEZ-GFCCVEGCSA-N 286.397 1.027 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCCc1ccccc1Cl 268882767 FJIYMMLGKHDQAE-ZJUUUORDSA-N 267.712 1.719 0 50 CDAA CN1CCC[C@H](CN(C)C(=O)[C@H](N)c2ccccc2)C1 299740135 WEEYJRVVIVIRKZ-DZGCQCFKSA-N 275.396 1.487 0 50 CDAA CC(C)(CC(=O)N1CCC[C@H](S(N)(=O)=O)C1)C1CC1 332178617 VYPNOHPXAGYSMX-NSHDSACASA-N 288.413 1.092 0 50 CDAA CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NCc1nnnn1C 389334410 UPOHCQHFYAYSGZ-GRYCIOLGSA-N 251.378 1.761 0 50 CDAA Cc1nonc1[C@@H]1CCCN1Cc1ccn2ncnc2c1 2100483871 VNWGZRSCGDHRLW-LBPRGKRZSA-N 284.323 1.758 0 50 CDAA N=c1[nH]nc(-c2ccc(-c3ccc4c(c3)OCCO4)o2)[nH]1 2100555004 JTAAJGHNXSSFLW-UHFFFAOYSA-N 284.275 1.915 0 50 CDAA CC(C)c1ccc2oc(=N[C@@H]3CCC(=O)NC3=O)[nH]c2c1 1857797815 VUULMTPHMJIFRT-SNVBAGLBSA-N 287.319 1.590 0 50 CDAA Cc1nc(N2CC3(CC=CCO3)C2)c2cc[nH]c2n1 2325767627 GKBQXNXYBYEPMM-UHFFFAOYSA-N 256.309 1.802 0 50 CDAA Cn1ccnc1C[C@@H]1CCCN1C(=O)C1(O)CC(C)(C)C1 2325810971 UAEJFVCIDNVWIH-LBPRGKRZSA-N 291.395 1.505 0 50 CDAA C[C@H](NC1=NC[C@H]2CC[C@@H](C)CN12)C(=O)N1CCCC1 2325864527 REJGRYDMWNEWHV-FRRDWIJNSA-N 278.400 1.057 0 50 CDAA CNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 379191 YNPOOBGAKGKRFA-UHFFFAOYSA-N 290.772 1.160 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)c2ccccc2)o1 395933 TYCIQFHQQLLQDA-UHFFFAOYSA-N 252.247 1.811 0 50 CDAA Cc1cc(C)c(O)c(C(=O)CC2CC(=O)NC(=O)C2)c1 1689064 YTLMIHBTPWTPEV-UHFFFAOYSA-N 275.304 1.635 0 50 CDAA biogenic,in-vitro COc1cc(OC)c2c(c1Cl)OCC(=O)O[C@@]2(C)O 2519644 OMVFMKNOSOKRRP-GFCCVEGCSA-N 288.683 1.458 0 50 CDAA COC1(CN(C)C)CCN(C(=O)c2cncc(F)c2)CC1 2356148586 HELRUDMBGVZSTD-UHFFFAOYSA-N 295.358 1.404 0 50 CDAA COc1ccc(C(=O)CCNCCC(=O)O)cc1 2922131 GTONFEZGOOAKRS-UHFFFAOYSA-N 251.282 1.332 0 50 CDAA biogenic CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)O 4521263 KJIQRHBVNGRPCO-UWVGGRQHSA-N 275.345 1.761 0 50 CDAA Cc1ccc(NS(=O)(=O)N2CCOCC2)c(C)c1 4840231 UMWGHZGLEONTMG-UHFFFAOYSA-N 270.354 1.292 0 50 CDAA CCC(CC)n1ncc(C)c1NC(=O)C[C@H]1CNCCO1 55385630 JXUIGYYLYRYUMC-ZDUSSCGKSA-N 294.399 1.870 0 50 CDAA O=C(Cc1nc2ccccc2o1)NCCn1cccn1 20919696 HWWZGBNQGVRAGH-UHFFFAOYSA-N 270.292 1.383 0 50 CDAA CCN1CCN(C[C@H](O)COc2ccc(C)c(C)c2)CC1 21486893 XZKJGRNQGJJLJN-INIZCTEOSA-N 292.423 1.681 0 50 CDAA Cc1cnc(C(=O)N[C@H]2COc3ccccc3C2)cn1 53043460 NXYCEYOKWIYHCP-GFCCVEGCSA-N 269.304 1.519 0 50 CDAA Cc1sc2ncc(C(=O)N3CCCC3)c(=O)n2c1C 23119879 WJHONLSIVBAIGK-UHFFFAOYSA-N 277.349 1.609 0 50 CDAA CCOC(=O)CN(C)[C@@H]1COc2c(cccc2OC)C1 23214331 JHYWFFCTOAYASJ-LBPRGKRZSA-N 279.336 1.494 0 50 CDAA Cc1noc(C)c1-n1c(CCNc2ccccc2)n[nH]c1=O 65410479 CHXRNVWVUKRTNZ-UHFFFAOYSA-N 299.334 1.820 0 50 CDAA CSCC[C@H](N)C(=O)Nc1cnn(C(C)C)c1 61683484 ZMXRDMSVPSVYJU-JTQLQIEISA-N 256.375 1.483 0 50 CDAA Cc1noc(C)c1C(=O)N[C@@H](c1nccn1C)C1CC1 67872368 DIWXKMDYBQBFEB-GFCCVEGCSA-N 274.324 1.906 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)O)C1 110915810 OUTDNQJTOMOMAU-AEJSXWLSSA-N 271.313 1.343 0 50 CDAA O=C(NCc1cc2cc(F)ccc2[nH]1)c1cc[n+]([O-])cc1 20202889 GWGBESIVRHEEOT-UHFFFAOYSA-N 285.278 1.870 0 50 CDAA CCc1cc(N2CCN(C(C)C)CC2)nc(N(C)C)n1 65381774 ZCZYQYBDZMKFOQ-UHFFFAOYSA-N 277.416 1.635 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N1CCC(n2cncn2)CC1 408474262 NDNHNNQWDCKIKF-ZIAGYGMSSA-N 292.383 1.647 0 50 CDAA CCNC(=O)CN(CC)C(=O)N1CCc2ccccc21 252507298 WGQIKVFMFQOELG-UHFFFAOYSA-N 275.352 1.627 0 50 CDAA CCCc1cc(C(=O)N[C@H](CC)c2nc(C)no2)n(C)n1 77555027 AWEBXEUESQEDET-LLVKDONJSA-N 291.355 1.945 0 50 CDAA O=C(Cn1nc2ccccc2n1)NCCc1cscn1 218854548 VECRIPVTDDODDC-UHFFFAOYSA-N 287.348 1.247 0 50 CDAA COc1cccc(S(=O)(=O)N2CCC(=O)CC2)c1 32918768 IGIPSHOYIQNTQS-UHFFFAOYSA-N 269.322 1.049 0 50 CDAA O=C1CN(Cc2ccc(Cl)c(Cl)c2)CCN1 71787047 PKZQINUTDKOEMQ-UHFFFAOYSA-N 259.136 1.925 0 50 CDAA O=C(N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)OCC1CC1 368256538 ARYIRXAPBPSHBO-QWHCGFSZSA-N 283.368 1.833 0 50 CDAA Cc1ccc(C[C@@H](CO)NC(=O)C2(C)COC2)cc1 331821979 BYAQVMHAEKCTMS-ZDUSSCGKSA-N 263.337 1.051 0 50 CDAA CSc1ncccc1C(=O)NCc1cc(O)nc(C)n1 219435140 HTJPQGZPVYYBRQ-UHFFFAOYSA-N 290.348 1.538 0 50 CDAA CC(C)c1ccc(N2C(=O)[C@@H]3C[C@@H](O)CN3C2=O)cc1F 373094510 IVVQASPOILEXPM-MFKMUULPSA-N 292.310 1.851 0 50 CDAA Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1C[C@]12CCOC2 332884426 FEROZASKILIMTQ-XUJVJEKNSA-N 275.352 1.340 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CC[C@H](C(=O)O)C2)cn1 236762928 MYWZNUUSUUVMCK-VIFPVBQESA-N 265.313 1.185 0 50 CDAA C[C@H](Oc1ccccn1)C(=O)N1CCC2(CCOCC2)C1 333379743 AZFALYSPPCDEKP-ZDUSSCGKSA-N 290.363 1.878 0 50 CDAA CCCNC(=O)N1CCCn2nc(CCC(=O)O)cc2C1 72420402 IEBACUXXWIBQBK-UHFFFAOYSA-N 294.355 1.226 0 50 CDAA CN(Cc1ccon1)C(=O)COCc1ccccc1 215735105 YTQSCKCAXUKNEE-UHFFFAOYSA-N 260.293 1.850 0 50 CDAA NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Cn1cncn1 238043188 OPRPOYKOCBMRJL-SWLSCSKDSA-N 299.378 1.184 0 50 CDAA O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2cnc[nH]2)C1 335704404 IFZWEXJSQBSIMS-BXUZGUMPSA-N 279.290 1.996 0 50 CDAA CCc1cccnc1C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 285166871 GYESORJLQALTCU-ZIAGYGMSSA-N 289.379 1.189 0 50 CDAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)Cc2cncs2)C1 263106620 BJINVNXYSXCBBY-RKDXNWHRSA-N 268.338 1.255 0 50 CDAA COc1cccc([C@H]2CCCN2C(=O)Cn2cnnn2)c1 41934037 XUNXKVQCLDBKGU-CYBMUJFWSA-N 287.323 1.045 0 50 CDAA CCSCCN1CCC[C@@H](c2ccn(CC(=O)O)n2)C1 426411562 VCPCHOOACHGBJQ-GFCCVEGCSA-N 297.424 1.900 0 50 CDAA CCCC[C@@H](NC(=O)Cn1ccnn1)c1cccnc1 426715845 ITYSWUADKJXBIW-CYBMUJFWSA-N 273.340 1.721 0 50 CDAA CC(C)c1cc(CN2CCn3nc(CO)cc3C2)no1 220670285 UBWFVRWUWBTGRM-UHFFFAOYSA-N 276.340 1.503 0 50 CDAA COCCN1C[C@H](Cc2cc(C(N)=O)ccc2C)CC1=O 220052650 LYFRAVOZEACGIP-GFCCVEGCSA-N 290.363 1.131 0 50 CDAA CNC[C@H]1CCN(C(=O)c2nc(C(C)C)ncc2Cl)C1 178966523 ZSTSWCFNXGVJMI-SNVBAGLBSA-N 296.802 1.935 0 50 CDAA COc1ncc(C(=O)NCc2nc3c(C)cccc3o2)cn1 426739646 GBPNVBUIEAQVJJ-UHFFFAOYSA-N 298.302 1.865 0 50 CDAA CCN(CCOC)C(=O)[C@H](c1cccc(F)c1)N(C)C 95358456 DZWIRBMADJBGHT-AWEZNQCLSA-N 282.359 1.923 0 50 CDAA O=C(CO)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 92028379 GUVLRMIHNIASKY-DZGCQCFKSA-N 292.354 1.241 0 50 CDAA COC[C@H]1CCCN1C(=O)CCn1c(C)cccc1=O 97698923 GYILGLGJGRJFMZ-CYBMUJFWSA-N 278.352 1.184 0 50 CDAA CCC[C@@]1(CO)CCCN(c2nc(N(C)C)ns2)C1 91494493 KRUHDKSIWPNYGR-CYBMUJFWSA-N 284.429 1.983 0 50 CDAA CC(C)N1CCC(c2nc(CN3CCOCC3)no2)CC1 96148611 APPPISMASWFBKD-UHFFFAOYSA-N 294.399 1.490 0 50 CDAA CCn1nncc1C(=O)N1Cc2ccccc2O[C@H](C)C1 293609359 CNMFKPJKDZVGKU-LLVKDONJSA-N 286.335 1.721 0 50 CDAA Cc1cc([C@@H]2CN(C(=O)CNC3CC3)CCO2)ccc1F 237875892 JXTYTYPEVGFKDW-HNNXBMFYSA-N 292.354 1.786 0 50 CDAA O=C(Cn1ccnc1)N1CCC[C@](CC2CC2)(C(=O)O)C1 91270434 UQWJTLUQYXIFJP-OAHLLOKOSA-N 291.351 1.377 0 50 CDAA CCS(=O)(=O)CCNc1nc(C)nc(C)c1C 92096616 KMTJEJIXLSGZNJ-UHFFFAOYSA-N 257.359 1.248 0 50 CDAA CCn1ncc(C(=O)N2CCN[C@@H](c3ccccc3)C2)c1C 97568796 JJQUGZVMYDUCLX-MRXNPFEDSA-N 298.390 1.998 0 50 CDAA COCCCNC(=O)[C@@H](c1ccc(F)cc1)N(C)C 95365941 VMWNVCKPOYGTLU-CYBMUJFWSA-N 268.332 1.581 0 50 CDAA Cc1cn(CCNC(=O)Cc2nc(C)sc2C)nn1 244884340 YKLMVVXTLMZLBK-UHFFFAOYSA-N 279.369 1.019 0 50 CDAA O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc2n(n1)CCC2 295416332 IBYZURZZCBNNLT-JTQLQIEISA-N 273.258 1.900 0 50 CDAA O=c1[nH]cc(-c2ccc(Br)s2)c(=O)[nH]1 334028 HEVOZRSZGTVWRA-UHFFFAOYSA-N 273.111 1.554 0 50 CDAA C[C@@H](CCC(=O)NCc1cscn1)N1CCN(C)CC1 534581096 HBDAYBKWYYYLFS-LBPRGKRZSA-N 296.440 1.175 0 50 CDAA Cc1nonc1CC(=O)N1CCC[C@H]1C(F)(F)F 827933076 KCXPHBLSIZZUKI-QMMMGPOBSA-N 263.219 1.474 0 50 CDAA C[C@H](CN1CCCC1)C(=O)NCC1(N(C)C)CCCC1 820631927 LLTBXODDLQWYCH-CQSZACIVSA-N 281.444 1.709 0 50 CDAA CCc1nccn1CCCNC(=O)c1ccnnc1 823557411 PVCONESCCOCUGR-UHFFFAOYSA-N 259.313 1.056 0 50 CDAA CC(=O)c1ccc(C(=O)NCCc2csc(=N)[nH]2)s1 584891588 MRISHNJMMSQAKV-UHFFFAOYSA-N 295.389 1.792 0 50 CDAA Cc1nonc1CNC1CCN(Cc2ccco2)CC1 584886742 CYRDAGKNPPPQPR-UHFFFAOYSA-N 276.340 1.725 0 50 CDAA CC(C)C[C@H](CN)CC(=O)OC1CCS(=O)(=O)CC1 585133993 YAGABWFYGVILPI-NSHDSACASA-N 291.413 1.118 0 50 CDAA Cc1cc(CC(=O)N[C@H](C)Cc2ncccc2C)on1 584889315 ZCXURYHKUBPCRS-LLVKDONJSA-N 273.336 1.976 0 50 CDAA C[C@@H]1CN(C)CCCN1C(=O)c1cccc2c1CCC2=O 584890743 HAJCXCPZRXVNBU-GFCCVEGCSA-N 286.375 1.982 0 50 CDAA Cc1cccc2nc(CCN(C)S(=O)(=O)N(C)C)[nH]c12 670447506 JAMFYOZUXZVDGT-UHFFFAOYSA-N 296.396 1.152 0 50 CDAA O=C(NCc1n[nH]c2c1CCCCC2)c1ccnnc1 885939059 PNIXCSUGSMNOCR-UHFFFAOYSA-N 271.324 1.399 0 50 CDAA CN(CCC(=O)OC(C)(C)C)C(=O)c1c(O)cccc1O 271396900 UWEOWIPUCNQLPX-UHFFFAOYSA-N 295.335 1.902 0 50 CDAA Cc1nnc([C@@H](C)NC(=O)C2(O)CCCC2)s1 274247986 SKVYHJCTTFHWDH-SSDOTTSWSA-N 255.343 1.329 0 50 CDAA CCc1nn(C)cc1NC(=O)[C@H]1CCCO[C@H]1C 276822115 NMIRAMOADOPHCI-UWVGGRQHSA-N 251.330 1.736 0 50 CDAA CCN1CCC[C@H]1CN(C)C(=O)CCc1ccc(O)nc1 278391489 ADPZDQWHEIRMJE-AWEZNQCLSA-N 291.395 1.663 0 50 CDAA COC(=O)CN(OC)[C@@H]1CCCOc2ccccc21 408513168 AFNWEHHLOBLRRT-GFCCVEGCSA-N 265.309 1.937 0 50 CDAA C[C@@H]1CN(C(=O)N[C@H]2CCCn3nccc32)C[C@@H]1N(C)C 637765236 VVIOPVGXBXKGEI-DYEKYZERSA-N 291.399 1.310 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 192323144 AVZDVFQTNFIJOL-LLVKDONJSA-N 299.367 1.783 0 50 CDAA O=C(NC[C@@H]1CCCC1(F)F)c1ccc2c(c1)B(O)OC2 584997591 IABPPQHTYZBAIA-NSHDSACASA-N 295.094 1.070 0 50 CDAA O=C(N=c1nc(C(F)(F)F)[nH]s1)N1CCSCC1 585079627 RESKXPNSESRCGM-UHFFFAOYSA-N 298.315 1.560 0 50 CDAA O=C1NCC2(CCCC2)C(=O)N1CCCn1ccnc1 1615547620 KBXOPQLTTYHCMZ-UHFFFAOYSA-N 276.340 1.385 0 50 CDAA Cc1ncn(CCNC(=O)c2cc(O)ccc2F)c1C 1772708305 AKIRKHIZEBEYGK-UHFFFAOYSA-N 277.299 1.775 0 50 CDAA CCCNc1ccc(C(=O)N2C[C@H](O)[C@@H](F)C2)cc1 1616158284 UNPXKTVMTPPMFU-STQMWFEESA-N 266.316 1.663 0 50 CDAA NC[C@H](CC1CCCC1)C(=O)N1Cc2c[nH]nc2C1 1875271933 BPEXPRAJYJKYSZ-NSHDSACASA-N 262.357 1.407 0 50 CDAA Cc1ccccc1SCC(=O)NC1(C(=O)O)CC1 203665316 NHFWTUKILXALDA-UHFFFAOYSA-N 265.334 1.821 0 50 CDAA O=C(NC[C@@H]1CCN(C2CC2)C1)c1cncc(O)c1 109042539 DJUJGPJFFAGTRM-JTQLQIEISA-N 261.325 1.001 0 50 CDAA Cc1noc(-c2ccnc(N3CCC[C@@H](O)CC3)c2)n1 1506405075 HZVNZALYYHUGDG-GFCCVEGCSA-N 274.324 1.791 0 50 CDAA Cc1c(Cl)cccc1C(=O)N1CCO[C@H](CC(=O)O)C1 219560887 VLORXIPHBMCZQN-SNVBAGLBSA-N 297.738 1.964 0 50 CDAA Nc1cccc(CC(=O)NCC[C@H]2CCCCO2)c1 223552311 XJZDHNHKLYFPMF-CQSZACIVSA-N 262.353 1.887 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCCCc2ccccc2)CC[C@@H]1O 1704335650 PRERRLRVYBQGOL-OWCLPIDISA-N 291.391 1.911 0 50 CDAA O=C(O)CCCCN1CCC[C@@]2(CCC[C@H]2O)C1 1704331376 NLUZLNMKCJEVMW-OCCSQVGLSA-N 255.358 1.868 0 50 CDAA O=S(=O)(c1ccc2ccccc2c1)N1CCOCC1 227071 FNADVKJMEUGXLY-UHFFFAOYSA-N 277.345 1.861 0 50 CDAA COC[C@H](C)C(=O)Nc1cc(C(=O)O)ccc1C 120210774 JAICDBYTKIGRNL-VIFPVBQESA-N 251.282 1.914 0 50 CDAA CC(C)CN(CC(F)(F)F)C(=O)Cn1ncsc1=O 124040370 ZQSVSAAUVSVOJO-UHFFFAOYSA-N 297.302 1.352 0 50 CDAA NC(=O)COc1ccc(CNC2CCCCC2)cc1 4867219 CYXWOFMRAKGPIP-UHFFFAOYSA-N 262.353 1.973 0 50 CDAA CN1CCN(Cc2ccc3nsnc3c2)C(C)(C)C1=O 1875281615 KYKJSTBIOBUGHL-UHFFFAOYSA-N 290.392 1.744 0 50 CDAA Cc1cccc(F)c1S(=O)(=O)N[C@@H]1CCCNCC1 367195454 MTYALIGEPLVDJA-LLVKDONJSA-N 286.372 1.555 0 50 CDAA Ic1cnc2nccnc2c1 30678635 FYCNIEVXOCZGKK-UHFFFAOYSA-N 257.034 1.629 0 50 CDAA in-vitro OCCn1cnc2cc(-n3ccnc3-c3cc[nH]n3)ccc21 1775980176 TZSOMCUBLYRIBE-UHFFFAOYSA-N 294.318 1.604 0 50 CDAA COCCN1CCN(C[C@H](C)c2ccccc2)CCC1=O 12280095 HSFCPCMBNKCBRH-HNNXBMFYSA-N 290.407 1.971 0 50 CDAA Brc1cccc(CN2CCNCC2)c1 19737219 TUKZQYYLUARXKM-UHFFFAOYSA-N 255.159 1.854 0 50 CDAA O=C(CN1CCNCC1)Nc1cc(Cl)cc(Cl)c1 19797594 YAIHPCDXAIWAIR-UHFFFAOYSA-N 288.178 1.837 0 50 CDAA O=C(NC1CCOCC1)[C@H]1CC[C@H](c2ccccc2)N1 1857714184 MMTXDIPRZPHYEL-HUUCEWRRSA-N 274.364 1.775 0 50 CDAA Cc1noc([C@@H]2CN(C[C@H]3CCCCO3)CCN2C)n1 328985365 ZONMGOWLIVTUKC-OLZOCXBDSA-N 280.372 1.236 0 50 CDAA Cc1ncccc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 643755491 VRVSIUWXWCQPBF-MRXNPFEDSA-N 291.395 1.195 0 50 CDAA CCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 12421559 BTYBSHKIMZSUNV-UHFFFAOYSA-N 298.346 1.634 0 50 CDAA CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C)C(=O)C1 154633376 WEWRSEZERJLYGD-AWEZNQCLSA-N 289.379 1.491 0 50 CDAA Cc1noc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 378524971 WWQBKZJPHVGDIQ-LLVKDONJSA-N 290.327 1.538 0 50 CDAA COC(=O)C[C@H]1Cc2ccccc2N1C(=O)c1cncn1C 585127346 XVOLEBRIXURFJI-GFCCVEGCSA-N 299.330 1.555 0 50 CDAA CCO[C@@H]1C[C@@](NC(=O)c2coc(C)c2)(C(=O)O)C1(C)C 263517619 FNWPVJFUNWJQTD-IAQYHMDHSA-N 295.335 1.976 0 50 CDAA COc1ccnc(NC(=O)[C@H]2CCC[C@@H](C(=O)O)C2)c1 842643480 ZFJNKEJZZHQMIV-VHSXEESVSA-N 278.308 1.920 0 50 CDAA Cn1cc(CC(=O)N2CCOC[C@H]2C2CCC2)c(Cl)n1 843697849 IUQJWANQJBHGNG-LBPRGKRZSA-N 297.786 1.644 0 50 CDAA C[C@@H]1CN(c2ccccc2)CCN1C(=O)Cn1nccc1N 952992456 FEIQEDPFDCTERD-CYBMUJFWSA-N 299.378 1.203 0 50 CDAA O=C(NC1CC1)[C@H]1CCCN1C(=O)C1=Cc2ccccc2C1 1875282414 CRQBUTATRWAZRA-MRXNPFEDSA-N 296.370 1.896 0 50 CDAA O=C(NOC1CCC1)[C@H]1CCCN1C(=O)c1ccco1 1875260793 FMJUPMCSALYTKI-LLVKDONJSA-N 278.308 1.485 0 50 CDAA C[C@H](NC(=O)c1ccc([C@@H]2CCCN2)s1)C(=O)O 1875280033 QNAHKDKTPSZBKT-YUMQZZPRSA-N 268.338 1.376 0 50 CDAA CCOc1ccnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1 1875275787 OHODFTLMXXQIHK-LBPRGKRZSA-N 278.356 1.180 0 50 CDAA COCCn1nc2c(c1C(=O)N1CCC1)C[C@H](C)O[C@@H]2C 1875314800 TYKKNMBGWUSLHO-WDEREUQCSA-N 293.367 1.398 0 50 CDAA CC(C)c1ccc(CC(=O)N2CC[C@@H](OCCO)C2)cc1 1875307509 ONJMEOLJSSRLOR-MRXNPFEDSA-N 291.391 1.962 0 50 CDAA NC(=O)c1ccc(CCN2CC[C@]3(CCCOC3)C2)cc1 878573573 KKFUZZRXKHMHDR-QGZVFWFLSA-N 288.391 1.831 0 50 CDAA Cc1nnc(N2CCC[C@H](n3ccnn3)CC2)nc1C 895103731 AQTWQJKJQLUXMX-LBPRGKRZSA-N 273.344 1.312 0 50 CDAA CCN(C(=O)c1[nH]c(C)c(C(C)=O)c1C)C1CN(C)C1 1775987290 PWRLNIHVTDIIJE-UHFFFAOYSA-N 277.368 1.610 0 50 CDAA CCCN(CC(C)C)C(=O)[C@H]1NCc2ncncc21 1775962382 ITCRQGXZTNCTNK-ZDUSSCGKSA-N 262.357 1.516 0 50 CDAA Cc1cc(C)cc(OC[C@H](O)Cn2cc(C)nn2)c1 899901756 VTTBDFIXOUXTFK-CYBMUJFWSA-N 261.325 1.643 0 50 CDAA CN(Cc1ccc[nH]c1=O)C[C@@H](O)c1ccccc1 20137539 MSWBPLWRQHJRJY-CQSZACIVSA-N 258.321 1.540 0 50 CDAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCO2 252446572 WYKNGVADTZQESA-FXBDTBDDSA-N 277.276 1.313 0 50 CDAA CN1CCCN(Cc2nc(-c3ccsc3)no2)CC1 22944094 JIOKPFNPKXLJQT-UHFFFAOYSA-N 278.381 1.936 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2[C@@H]2CCCCO2)C1 260313931 LGBGXVZENWFPTL-UWVGGRQHSA-N 265.313 1.255 0 50 CDAA NCc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 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276.727 1.608 0 50 CDAA NC(=O)c1cncc(C[C@H]2COc3ccccc3C2)c1 92099764 XXQMMFVMDGOLSS-GFCCVEGCSA-N 268.316 1.974 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H]5[C@H](O[C@]2(C)[C@H]53)[C@@H]4O)c1 244673807 HVYIZCQICMAECY-XDYUSBBASA-N 285.343 1.700 0 50 CDAA CCc1nnc(CNC(=O)[C@@H]2CCc3ccccc32)o1 348652589 JQTUXUFGOFBHQS-GFCCVEGCSA-N 271.320 1.978 0 50 CDAA COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 245310718 KDUNRPYUBJOQOJ-FHIRATQRSA-N 299.326 1.142 0 50 CDAA O=c1[nH]ccn1CCN1CCO[C@@H](c2ccc(F)cc2)C1 244724336 MRZDTURBDUNGHF-CQSZACIVSA-N 291.326 1.389 0 50 CDAA COC(=O)c1ccc2c(Br)ncn2c1 258363381 RPVQCJCWRCKXHF-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA Cc1ccccc1OCC(=O)N1CCC[C@@H]([C@@H](C)N)C1 299739665 RDHMSAKSBQQJBQ-ZIAGYGMSSA-N 276.380 1.960 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1ccc(-c2cncc(O)n2)cc1 534675437 URXFZIDPGUILFY-ZDUSSCGKSA-N 299.330 1.758 0 50 CDAA O=C(NC[C@H]1CCN(C2CCCC2)C1)C1(CO)CC1 534640023 BWURPRBQIOQFAH-GFCCVEGCSA-N 266.385 1.140 0 50 CDAA NC(=O)c1cncc(NC[C@H]2CCN(C3CCCC3)C2)n1 534662690 ATZAZCMAUXHGQT-LLVKDONJSA-N 289.383 1.252 0 50 CDAA Cn1nccc1CCC(=O)N1CCCC2(CCOCC2)C1 274706537 RVPLEWCEKYTCOH-UHFFFAOYSA-N 291.395 1.772 0 50 CDAA CN1C(=O)N(CCc2ccccc2)C(=O)C12CCNCC2 299787381 UUCZGSBAVXWOLO-UHFFFAOYSA-N 287.363 1.245 0 50 CDAA Cc1cc(C)n(CCCC(=O)N(C)CC(C)(C)CO)n1 584889373 MKGGDFRRIQMMAI-UHFFFAOYSA-N 281.400 1.757 0 50 CDAA CCOC(CN1CCC[C@@H](c2nc(C)no2)C1)OCC 132625545 CPALMTWQXZSNLG-GFCCVEGCSA-N 283.372 1.957 0 50 CDAA COc1ccc([C@@H](C)NC(=O)CCS(C)(=O)=O)cc1C 887324796 UXHONKQBPAKZQU-LLVKDONJSA-N 299.392 1.616 0 50 CDAA C[C@@H](CC(N)=O)N(C)C(=O)c1ccc2scnc2c1 952981027 SHZSYBFXIZORBY-QMMMGPOBSA-N 277.349 1.632 0 50 CDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccn1C1CC1 1565507024 UDZLYIOHOZWOBP-ATGSNQNLSA-N 289.379 1.270 0 50 CDAA Cc1cc(CCNC(=O)c2ccon2)cc(C)c1O 188751678 LYPFYPSBPMDSQL-UHFFFAOYSA-N 260.293 1.970 0 50 CDAA CCS(=O)(=O)c1ccc(Br)nc1 90475813 REPDUUQBPOVVLB-UHFFFAOYSA-N 250.117 1.638 0 50 CDAA in-vitro COC(=O)c1cc(I)c(C)cc1N 95831109 NFCJVRIKQOSUBJ-UHFFFAOYSA-N 291.088 1.968 0 50 CDAA in-vitro C[C@@H](CC(=O)OC[C@@H]1CCCCO1)N1CCCCC1=O 170619235 LCTGRVBPISIHOA-STQMWFEESA-N 283.368 1.890 0 50 CDAA Cc1ccccc1NC(=O)C(=O)N1CCC(N(C)C)CC1 170649564 MDKMKDSJXYPAAO-UHFFFAOYSA-N 289.379 1.486 0 50 CDAA Cc1nnc2ccc(N3CCC[C@H](CCO)CC3)nn12 517023222 UTYWEIPHSACYQL-LBPRGKRZSA-N 275.356 1.422 0 50 CDAA C[C@@H]1C[C@H](C(=O)Nc2nnc(C(F)F)s2)CC(=O)N1 408162416 WLKDUOKCZJVLJL-UHNVWZDZSA-N 290.295 1.329 0 50 CDAA CC1(C)CCN(CC(=O)N[C@H]2CCOC(C)(C)C2)C1 408517174 AUNYXUBXXVHATR-LBPRGKRZSA-N 268.401 1.792 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc2ccccc2n1 643763110 SUVQPQZYNKZKJE-QGZVFWFLSA-N 299.374 1.701 0 50 CDAA CN(C)c1nc(=NCc2csc(C3CC3)n2)[nH][nH]1 643898261 FLQVZUITOQWLMS-UHFFFAOYSA-N 264.358 1.239 0 50 CDAA Cc1ccc2cc(CNC3(C(N)=O)CC3)ccc2n1 191485326 SMWYGOUGBHJJRZ-UHFFFAOYSA-N 255.321 1.651 0 50 CDAA C[C@H]1CCS(=O)(=O)CCN1Cc1ccc2cn[nH]c2c1 192055054 LLOYQCBPESDRQM-NSHDSACASA-N 293.392 1.572 0 50 CDAA CCOc1cc(NCCc2ccns2)ncn1 709823924 AOXRQBJKKISNLE-UHFFFAOYSA-N 250.327 1.986 0 50 CDAA NC(=O)C[C@@H]1COCCN1c1nc2ccccc2s1 649564939 JGARJDRKAPGBHQ-SECBINFHSA-N 277.349 1.377 0 50 CDAA CO[C@@H]1CCC[C@@H]([C@@H](CO)NS(=O)(=O)C2(C)CC2)C1 657076245 OZZQJWWSAPYTGW-IJLUTSLNSA-N 291.413 1.024 0 50 CDAA Cc1cnc(CNC(=O)NCCc2ccc(F)cc2)nc1 583651507 OFUDYXWZWGYKMJ-UHFFFAOYSA-N 288.326 1.966 0 50 CDAA O=C(Nc1nc2cnccc2[nH]1)[C@H]1CCc2n[nH]cc2C1 760949983 MPFPBCFDYIALHF-QMMMGPOBSA-N 282.307 1.425 0 50 CDAA CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1n1ccnn1 1615057314 RTUYXHDIZVQJTD-WDEREUQCSA-N 296.327 1.002 0 50 CDAA CCn1nncc1CNC(=O)[C@@H]1CNCC12CCCCC2 1615547030 NGYZTKQOWKQLRP-ZDUSSCGKSA-N 291.399 1.084 0 50 CDAA O=C(N[C@@H]1CCNC12CCC2)c1cccc2c1CCOC2 1615546443 KXQDYGXFXSUNBB-OAHLLOKOSA-N 286.375 1.774 0 50 CDAA CCCNC(=O)NC(=O)CN1CCC(C)(C)NC(C)(C)C1 1615587936 MHPCVZJWPHJZRO-UHFFFAOYSA-N 298.431 1.075 0 50 CDAA CCCCCC[C@H](O)CCC(=O)NCCNC(=O)OC 1616040470 LVHWENPUVSUTFK-LBPRGKRZSA-N 288.388 1.570 0 50 CDAA Cc1cc2ccccc2nc1C(=O)NCCc1nc(=O)o[nH]1 1634292375 RQXBZCBAGWNRRZ-UHFFFAOYSA-N 298.302 1.192 0 50 CDAA Cc1nnc(N2CCN(C)[C@H](CCO)C2)c2ccccc12 1506415596 ZBVMWMUQJYRKQY-CYBMUJFWSA-N 286.379 1.441 0 50 CDAA CC(C)N1CCC(Nc2cc(NCCO)ncn2)CC1 1506399311 LXJIJXDIXIRJJU-UHFFFAOYSA-N 279.388 1.166 0 50 CDAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](N)[C@H]3C2)s1 225461518 VKWPZQKIWRYBCF-DCAQKATOSA-N 250.367 1.866 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCCC(F)(F)C1 911875268 REVDLFFTGFLQHT-UHFFFAOYSA-N 260.284 1.279 0 50 CDAA Cn1nc2c(c1NC(=O)C[C@@H]1CCCOC1)CSC2 1529191429 XWYMCUHOHFLCNW-VIFPVBQESA-N 281.381 1.922 0 50 CDAA Cc1nc2ncnn2c(C)c1CCC(=O)Nc1nccn1C 1460930715 HIBYDTPOCQWCDI-UHFFFAOYSA-N 299.338 1.046 0 50 CDAA CCn1nnc2c(N[C@H](C)c3cccnc3)ncnc21 1615057227 SCTJCLUNVACLOD-SECBINFHSA-N 269.312 1.809 0 50 CDAA CSc1nnc(NC(=O)CSC(C)(C)C)[nH]1 263884328 VUHRJPKJXXXWTA-UHFFFAOYSA-N 260.388 1.997 0 50 CDAA CN(C)CCCOc1cnc(Br)cn1 389227218 RACINOFMMYDOEW-UHFFFAOYSA-N 260.135 1.570 0 50 CDAA Cc1cc(C)cc(NC(=O)N2C[C@@H]3CNC[C@@]3(CO)C2)c1 1772709226 IXBQSBIRTZGNKX-BBRMVZONSA-N 289.379 1.349 0 50 CDAA CC[C@H](C(N)=O)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13715988 HBILTMYDZZXFCO-GFCCVEGCSA-N 284.381 1.333 0 50 CDAA CC(C)(C)OC(=O)[C@H](CN)NC(=O)OCc1ccccc1 16696906 GUTOOFAUODQZRP-LBPRGKRZSA-N 294.351 1.582 0 50 CDAA CCOC(=O)c1cnn(C)c1I 167026671 IGTMQHLEJKSRLJ-UHFFFAOYSA-N 280.065 1.201 0 50 CDAA Cc1cnccc1N1CCCN(c2cncc(N)n2)CC1 1857678901 CLWJRIGOOOFHBC-UHFFFAOYSA-N 284.367 1.479 0 50 CDAA Cc1nc(CC(=O)NCc2nc3ncccc3o2)cs1 1857694923 LRJLMWFHLNXYOB-UHFFFAOYSA-N 288.332 1.847 0 50 CDAA CCc1ncnc(CC)c1C(=O)NC[C@@H]1CCCOC1 339047408 MWLVWUQLVIRURW-NSHDSACASA-N 277.368 1.758 0 50 CDAA COc1ccc2c(N(C)C[C@H](C)C(=O)O)ncnc2c1F 263543371 FGEJAYBGXPWZHC-QMMMGPOBSA-N 293.298 1.934 0 50 CDAA O=C1NCC2(CN(C(=O)c3coc4ccccc34)C2)O1 497006831 CIFZXECBSQSTHO-UHFFFAOYSA-N 272.260 1.367 0 50 CDAA C[C@@H](C(=O)N1CC2(CNC(=O)O2)C1)c1cccc(F)c1 497210313 AVBNHAPKVYZAQZ-SECBINFHSA-N 278.283 1.250 0 50 CDAA C[C@H]1CNCCN1C(=O)c1cc(Cl)c(Cl)n1C 126316517 UXOFYZKDNOWEGV-ZETCQYMHSA-N 276.167 1.766 0 50 CDAA O=C(NO[C@@H]1CCCCO1)c1cnc(C2CC2)nc1O 900468610 XOMWFGCKDZANTE-SNVBAGLBSA-N 279.296 1.248 0 50 CDAA O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)Nc1noc2c1CCCC2 900789183 UPWVRSBENIYNGC-JFUSQASVSA-N 260.293 1.717 0 50 CDAA Cc1nc(N2CC[C@@H](C(=O)O)C2)nc2ccccc12 900934983 NTRMWHBOSSSYHK-SNVBAGLBSA-N 257.293 1.849 0 50 CDAA Cc1nc(NS(=O)(=O)CCc2cccc(F)c2)nn1C 903632936 IYWCZGGUUGWIMV-UHFFFAOYSA-N 298.343 1.247 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NOC1CCC1 812791348 NRESDRRXAKTRPB-GHMZBOCLSA-N 265.313 1.098 0 50 CDAA Cn1nccc1[C@@H]1CCCN1C(=O)[C@H]1CSCCS1 928371411 DJPRGKYBGJQTGZ-NWDGAFQWSA-N 297.449 1.932 0 50 CDAA Cc1ccnc(-c2noc(CN3CCn4ccnc43)n2)c1 931521086 XJOYFEBFPPCXMX-UHFFFAOYSA-N 282.307 1.657 0 50 CDAA NCC(CN)NCc1c(Cl)oc2ccccc12 864096798 HYHAVFDOSXFKQN-UHFFFAOYSA-N 253.733 1.462 0 50 CDAA COCC1(CC(=O)N2CC[C@H](c3n[nH]cc3N)C2)CC1 864384221 JIXSIXGSUBFLOL-JTQLQIEISA-N 278.356 1.125 0 50 CDAA N[C@@H]1CCCCCC[C@H]1C(=O)N1CCCc2n[nH]cc2C1 952893058 FFJWKDHXUFWAAD-ZIAGYGMSSA-N 290.411 1.982 0 50 CDAA O=c1ccn(C2CC2)c(=O)n1Cc1c(F)cccc1F 952879715 KVXQPRSGFUWXKF-UHFFFAOYSA-N 278.258 1.671 0 50 CDAA CC(C)n1ccnc1NC(=O)[C@@H]1CCc2c[nH]nc2C1 1875274873 WOYZBEOXOLEBNR-SNVBAGLBSA-N 273.340 1.931 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)N[C@H](C)c1nn(C)cc1O 1875286566 WAKAWCKPBXTOHW-SSDOTTSWSA-N 290.323 1.791 0 50 CDAA O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1c1cnccn1 1875286889 LJJGOSQOSWGNRQ-HNNXBMFYSA-N 294.358 1.687 0 50 CDAA N=c1[nH]nc(-c2ccc(OC[C@@H]3C[N@@]3CC3CC3)cc2)o1 1875385505 USYBLPZYUMTBON-HXPMCKFVSA-N 286.335 1.622 0 50 CDAA COCc1cc(C2CN(C(=O)[C@@H]3CCC(C)(C)O3)C2)no1 886085754 NPSUMENPXNMFRB-ZDUSSCGKSA-N 294.351 1.704 0 50 CDAA C[C@@H]1NC(=O)CC[C@H]1Nc1nccn2c(C3CC3)nnc12 888093450 QEMLDHBEQNILDE-WCBMZHEXSA-N 286.339 1.081 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2ncc(F)cn2)C1 888077477 CXQJJWSJJNLHOC-NXEZZACHSA-N 263.276 1.305 0 50 CDAA O=C1CC(N2CCCN(C(=O)Oc3ccccc3)CC2)C1 888101168 KVDRCYPNLCQIKQ-UHFFFAOYSA-N 288.347 1.925 0 50 CDAA CN(C(=O)[C@H]1OCCc2ccccc21)c1ccon1 892452149 LEDKPALTSHEQIV-ZDUSSCGKSA-N 258.277 1.951 0 50 CDAA Cc1ncc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)cn1 1777529718 JPMQSKNNJOKKDN-CYBMUJFWSA-N 291.351 1.098 0 50 CDAA O=c1c2sccc2ncn1C[C@H](O)c1cccnc1 32587274 WGFDUZQNIUTRJZ-NSHDSACASA-N 273.317 1.587 0 50 CDAA O=C(Nc1ccc2c(c1)CNCCO2)N1CCCC1 261594354 NMSUMIPYTVOHBC-UHFFFAOYSA-N 261.325 1.796 0 50 CDAA NC(=O)c1cnc(N2CC[C@]3(CCCNC3)C2)c(Cl)c1 516635844 WUWFNSWBPGIHRS-AWEZNQCLSA-N 294.786 1.414 0 50 CDAA CCOC[C@@H]1CN([C@H](C(=O)O)c2ccccc2)CCO1 530171800 FURPIZABEZVCFQ-KBPBESRZSA-N 279.336 1.550 0 50 CDAA C[C@@]1(C(=O)O)CN(c2nccc3sccc23)CCO1 711581651 QRSWTOZHALVKRR-ZDUSSCGKSA-N 278.333 1.976 0 50 CDAA CSC[C@@H]1CCCN(C(=O)CC2CCNCC2)C1 394073968 WXAWGQPVZMTAPA-CYBMUJFWSA-N 270.442 1.978 0 50 CDAA CN(Cc1ccc(CC(=O)O)cc1)C[C@@H]1CCOC1 399502494 DDEPDLSDKJOEPK-AWEZNQCLSA-N 263.337 1.782 0 50 CDAA CCc1nnc(NC(=O)CSc2nc(C)n[nH]2)s1 5686842 FMDAYVOFVZTYJN-UHFFFAOYSA-N 284.370 1.258 0 50 CDAA CCN1CCN(C(=O)NCCc2ccc(O)cc2)CC1 243456314 NGGIHZAJXQIVIH-UHFFFAOYSA-N 277.368 1.282 0 50 CDAA CCNc1nc(NCC)nc(-n2nc(C)cc2C)n1 282956 RVJXZWPDMROVRK-UHFFFAOYSA-N 261.333 1.538 0 50 CDAA CCC(=O)N1CC2(C)CN(C(=O)CC)CC(C)(C1)C2=O 308752 ACQHQZHGLPYLKW-UHFFFAOYSA-N 280.368 1.073 0 50 CDAA biogenic CC(C)(C)OC(=O)N[C@H]1CCN(C2CCNCC2)C1 2541472 FWXFHIGFBZXEOP-NSHDSACASA-N 269.389 1.337 0 50 CDAA Cn1ccnc1CN1CCC[C@]12CCCN(C1CC1)C2=O 2356137370 WRKXEMRKYKESSV-MRXNPFEDSA-N 288.395 1.540 0 50 CDAA CCOCC(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356147883 VMRLZRHZWRZYFG-UONOGXRCSA-N 263.337 1.400 0 50 CDAA CCCOc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 2812079 ICGKOUKNYYVNGH-SNVBAGLBSA-N 263.293 1.913 0 50 CDAA COc1ccc(Cl)cc1NC(=O)C(=O)NC1CC1 2838403 HICLZRZXAYOHFE-UHFFFAOYSA-N 268.700 1.566 0 50 CDAA COc1ccc(CCN2C(=O)CCCC2=O)cc1OC 2840358 UXOMHXODVQVSQZ-UHFFFAOYSA-N 277.320 1.785 0 50 CDAA COc1ccc(C)cc1NC(=O)C(=O)NCc1ccco1 2864934 RRLSOGKBTOZZIA-UHFFFAOYSA-N 288.303 1.852 0 50 CDAA C[C@@]1(NC(=O)NCc2ccccc2)CCS(=O)(=O)C1 3683399 XEOPHBSFKVXBIU-CYBMUJFWSA-N 282.365 1.063 0 50 CDAA CCCCS(=O)(=O)C[C@@H](O)COCc1ccccc1 6667428 WGHZBOCZOHWZNB-AWEZNQCLSA-N 286.393 1.779 0 50 CDAA CCc1nnc(NC(=O)C2CCN(C(C)=O)CC2)s1 6698436 HZKITGZYSNZTLR-UHFFFAOYSA-N 282.369 1.298 0 50 CDAA COc1cccc(CNc2ccc3c(c2)C(=O)NC3)n1 225387115 OABDVXIMPXNYEX-UHFFFAOYSA-N 269.304 1.946 0 50 CDAA CN(C(=O)Nc1cccc(C2OCCO2)c1)[C@H]1CCOC1 225738783 AVWYIBSERJPHHU-ZDUSSCGKSA-N 292.335 1.985 0 50 CDAA O=C(c1ccsc1)N1CC[C@](O)(C(F)(F)F)C1 112686896 RUZKYKOXIJKXFJ-SECBINFHSA-N 265.256 1.887 0 50 CDAA O=C(CSc1nccc(O)n1)Nc1ccc(Cl)cn1 9194124 RRURZHDGROMERG-UHFFFAOYSA-N 296.739 1.961 0 50 CDAA O=C(Cc1cccc(Br)c1)N1CCOCC1 111769011 UQRNXWAMOBWTTH-UHFFFAOYSA-N 284.153 1.850 0 50 CDAA CCCn1ncc(C(=O)NCC[C@@H]2CN(C)CCO2)c1C 67446987 FWMDEUGZDJFIMW-CYBMUJFWSA-N 294.399 1.052 0 50 CDAA O=C(O)[C@H]1CC(=O)N(Cc2nnc(-c3ccccc3)o2)C1 65456874 KDHQHGONBUBNFC-JTQLQIEISA-N 287.275 1.170 0 50 CDAA Cc1cnccc1-n1nc(C2CC2)nc1CN1CCOC1=O 65423925 DGHSVDRDIVSMDJ-UHFFFAOYSA-N 299.334 1.800 0 50 CDAA COCCN(C[C@H]1CC=CCC1)C(=O)c1cnn[nH]1 331144982 YTSLTGPEUFYKBB-NSHDSACASA-N 264.329 1.250 0 50 CDAA CN(Cc1ccoc1)c1cc(N2CCOCC2)nc(N)n1 65503858 MNZHRLRZBWXEMO-UHFFFAOYSA-N 289.339 1.125 0 50 CDAA CCN1CCN(C(=O)c2ccccc2C(=O)O)CC1 286239 LCWMPJVMVSBYHG-UHFFFAOYSA-N 262.309 1.163 0 50 CDAA CCCC(=O)NC[C@@H]1CCCN([C@@H]2CCCC[C@H]2O)C1 252513056 XBULBUGNXGBABS-RRFJBIMHSA-N 282.428 1.918 0 50 CDAA CCN1CCN(C(=O)C[C@H](C)OC)C[C@@H]1c1ncc[nH]1 328643291 YSFFHXCPHUQHQV-NWDGAFQWSA-N 280.372 1.040 0 50 CDAA Cc1noc(C)c1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328634819 UGQYCQBXRVHTDZ-LLVKDONJSA-N 289.339 1.143 0 50 CDAA CCc1nc(=NC[C@H]2CCO[C@@H]2C(C)C)s[nH]1 328609320 CVIRTAIQKLUIFY-MWLCHTKSSA-N 255.387 1.995 0 50 CDAA O=C(N[C@@H]1CN2CCC1CC2)c1cccn1C1CC1 216130040 CXJLGNRDXHZQIB-CYBMUJFWSA-N 259.353 1.647 0 50 CDAA COC[C@H](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)O 234688736 LYKVTJSMDHROCZ-CKYFFXLPSA-N 257.330 1.371 0 50 CDAA CCC[C@H](NC(=O)c1ccc(=O)[nH]c1)c1nccn1C 219815710 ZAQTYOMMASFMIW-NSHDSACASA-N 274.324 1.380 0 50 CDAA O=c1ccn(Cc2ccc(F)c(F)c2)c2ccnn12 253420598 YVYRRKRSGIKCBR-UHFFFAOYSA-N 261.231 1.823 0 50 CDAA CCc1ccc(C(=O)N[C@@H]2C[C@H](O)C2(C)C)c(O)c1 332498867 YWTFLXLXHRLJLA-OLZOCXBDSA-N 263.337 1.844 0 50 CDAA Cc1cnc(N[C@@H]2CCc3nnc(C)n3C2)nc1C 361216696 UJQJQXVAILPDTN-LLVKDONJSA-N 258.329 1.420 0 50 CDAA C[C@H]1CCOCCN1C(=O)CNC(=O)NC1CCCCC1 362241721 YXXFNGGPAUVZIH-LBPRGKRZSA-N 297.399 1.256 0 50 CDAA CC(C)(N)C(=O)NCCc1ccccc1OC(F)(F)F 236794090 MYOMMEHYPMCWAV-UHFFFAOYSA-N 290.285 1.981 0 50 CDAA CCN(Cc1ccc(-n2ccnc2)cc1)[C@H]1COC[C@@H]1O 216359892 LCMFDBCJQYFZNF-HOTGVXAUSA-N 287.363 1.454 0 50 CDAA C[C@H]1CCNCC[C@H]1NCC1(S(C)(=O)=O)CCCC1 333256977 IEIKURIWVGJVAX-QWHCGFSZSA-N 288.457 1.322 0 50 CDAA O=C(c1cc[nH]c1C1CC1)N1CCC[C@@H]1Cn1cncn1 367355250 YSCCVODZVLNFAE-GFCCVEGCSA-N 285.351 1.788 0 50 CDAA CN(CCCC(=O)O)[C@@H]1CCCN(c2ccccc2)C1=O 237042352 VNLFYEXNZNARPH-CQSZACIVSA-N 290.363 1.979 0 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O=C1CNC(=O)N1CCSc1cccc(O)c1 130921501 MDGDNPRMMUPBEI-UHFFFAOYSA-N 252.295 1.036 0 50 CDAA Cc1cc(=NC(=O)N[C@H]2C[C@@H](OC(C)C)C2)[nH]o1 459165956 XETHPIQXLSOSOE-AOOOYVTPSA-N 253.302 1.482 0 50 CDAA CN1CCN(c2nc(Br)ccc2N)CC1 48984997 KWHHHAKDQGAGRV-UHFFFAOYSA-N 271.162 1.178 0 50 CDAA Cc1occc1C(=O)N1CCC(O)(CN2CCCC2)CC1 222497231 LVJUVBRBQOHLDS-UHFFFAOYSA-N 292.379 1.651 0 50 CDAA O=C(c1cccc(-c2cc[nH]n2)c1)N1CCC(O)CC1 426589985 NUVBALWGHONEFI-UHFFFAOYSA-N 271.320 1.674 0 50 CDAA CCNc1nc(C(=O)N2CCOC[C@H]2CCOC)cs1 291306919 XGSIIIZCAFDHDB-SNVBAGLBSA-N 299.396 1.452 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CN)C2 91303577 KZIVKLLJQLIJKP-NSHDSACASA-N 270.373 1.751 0 50 CDAA CCC[C@H]1CN(CCCn2nc(C)cc2C)C[C@@H]1N 91645037 WNYDYGPZXAOYCK-GJZGRUSLSA-N 264.417 1.949 0 50 CDAA c1ncc(-c2ccc(N3CCSCC3)nn2)cn1 97324026 UCEYUHRHZLGCJI-UHFFFAOYSA-N 259.338 1.487 0 50 CDAA CN1CC[C@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1=O 143613761 ZBHXNTVUZJYTMG-MJBXVCDLSA-N 272.348 1.527 0 50 CDAA CC[C@@H](C(=O)N(C)Cc1nncn1C(C)C)n1cccn1 91780248 KDMDCBAAOWSLLU-LBPRGKRZSA-N 290.371 1.665 0 50 CDAA c1ccc(-c2nc([C@H]3CCOC3)no2)c(-c2nnn[nH]2)c1 96163052 LISQSPJRPXWIIM-QMMMGPOBSA-N 284.279 1.421 0 50 CDAA OC[C@]1(CC2CC2)CCCN(Cc2ncccn2)C1 92001909 VEDHCKCMNAQTDG-HNNXBMFYSA-N 261.369 1.851 0 50 CDAA CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95363051 PIAVCGRRVIASAB-LBPRGKRZSA-N 283.349 1.524 0 50 CDAA Cc1cc(CC(=O)N(CCC(=O)O)C[C@@H]2CCCO2)no1 237592763 BJGNJBRYRPSRGG-LBPRGKRZSA-N 296.323 1.008 0 50 CDAA O=C(CCO)N1CC[C@]2(CCCN(CC3CCC3)C2=O)C1 91603929 XMCQANANEZNDDU-MRXNPFEDSA-N 294.395 1.010 0 50 CDAA CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)NC3)cn1 97759369 FBJDTJZYHMWYGU-JSGCOSHPSA-N 260.385 1.331 0 50 CDAA CN1C[C@@]2(CCCN(CCCc3cccnc3)C2)OC1=O 244715842 LDJMOHBDPOYYGX-MRXNPFEDSA-N 289.379 1.931 0 50 CDAA CCc1c(NCc2nnn(C)n2)cnn1-c1ccccc1C 296627961 BOXHPHLXDVNODQ-UHFFFAOYSA-N 297.366 1.879 0 50 CDAA CCn1ccnc1CN(C)CCCc1nccn1C 252495416 OQAMBLPJFQBAIO-UHFFFAOYSA-N 261.373 1.701 0 50 CDAA COC(C)(C)C(=O)Nc1cccc(-c2ncn(C)n2)c1 183718436 ZCBFUMXEUUCXFV-UHFFFAOYSA-N 274.324 1.846 0 50 CDAA NC(=O)[C@@H]1CN(CCN2CCCCC2)C[C@H]1C(F)(F)F 299744789 PXQBRVDWTMUEKP-GHMZBOCLSA-N 293.333 1.068 0 50 CDAA N[C@H]1[C@H]2CC[C@@H]1CN(S(=O)(=O)Cc1ccccc1)C2 534674801 ZUFUUYUYZMSBDM-BTTYYORXSA-N 280.393 1.186 0 50 CDAA CCOc1ccc(C(=O)NC[C@@H](C(C)C)N(C)C)o1 534635520 WELGOTYMWBRPOT-NSHDSACASA-N 268.357 1.994 0 50 CDAA O=C(O)[C@H]1CCCN(c2nnc(-c3ccccn3)s2)C1 263438652 WFXWKRFBJHGCGY-VIFPVBQESA-N 290.348 1.901 0 50 CDAA O=C(O)[C@H]1C[C@@H](Nc2cc([C@@H]3CCOC3)ncn2)C1 299778955 PXCWHYIRDYEHIJ-BBBLOLIVSA-N 263.297 1.256 0 50 CDAA Cc1[nH]cnc1CNc1cc([C@@H]2CCOC2)nc(N)n1 299792357 GDQCWQKCIICRLI-SECBINFHSA-N 274.328 1.206 0 50 CDAA COCCN1CC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 824412463 UUEMQROWMXHERW-ZDUSSCGKSA-N 272.352 1.907 0 50 CDAA Cc1ccc(-c2n[nH]c(CC(N)=O)n2)n1C(F)F 826841998 HPFIZJYSXPCBRG-UHFFFAOYSA-N 255.228 1.005 0 50 CDAA Cc1nc(O)c2c(N)nnc(O)c2c1Br 825106561 PDVKOQNRJIKANE-UHFFFAOYSA-N 271.074 1.089 0 50 CDAA Cc1nncn1CCN(C)Cc1nnc(-c2ccccc2)o1 823717592 XQBLKMLGLIZLKT-UHFFFAOYSA-N 298.350 1.769 0 50 CDAA Cc1cc(C)c2ncn([C@H]3CCCNC3=O)c(=O)c2c1 584892588 ATMBOIIBSIVRHV-LBPRGKRZSA-N 271.320 1.464 0 50 CDAA COc1nc(N2CC[C@@H](CN(C)C)C2)ncc1F 670460137 NQNFATNIUAWIRN-VIFPVBQESA-N 254.309 1.012 0 50 CDAA COc1cc(C(=O)N2CCC=C(C(=O)O)C2)ccc1C 585134272 KNDQYQYQNXIOEK-UHFFFAOYSA-N 275.304 1.861 0 50 CDAA Oc1cc([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)ncn1 670467134 IJKSTIOUPRNKCL-SNVBAGLBSA-N 296.334 1.838 0 50 CDAA CC(C)Cc1nc(CNC(=O)c2csc(=N)[nH]2)no1 584884269 MRRQIQHSCLOQSY-UHFFFAOYSA-N 281.341 1.067 0 50 CDAA COC(=O)Cn1cc2ccc(Br)cc2n1 584626732 YNODRMIAJITGQB-UHFFFAOYSA-N 269.098 1.972 0 50 CDAA CCOc1cc(Br)c(C(N)=O)cc1OC 675010361 PVXWVYHKJCRIBF-UHFFFAOYSA-N 274.114 1.955 0 50 CDAA CC1(C)CC(NS(=O)(=O)c2cn3c(n2)CCCC3)C1 1414307825 LRRJOPVUBJVKII-UHFFFAOYSA-N 283.397 1.686 0 50 CDAA Cc1ccc2nc(CN(C)C(=O)CCn3cnnc3)[nH]c2c1 952981790 PILINCDXYFWENJ-UHFFFAOYSA-N 298.350 1.512 0 50 CDAA C[C@@H](Cn1cncn1)C(=O)N(Cc1cccnc1)C1CC1 952986309 FHMAEWJETZZVPH-LBPRGKRZSA-N 285.351 1.500 0 50 CDAA C[C@H]1CN(C(=O)c2cncnc2O)CC[C@]1(O)C1CCC1 1565510692 BAJBRNAGUQNGNW-ZUZCIYMTSA-N 291.351 1.195 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccc(-n2cnnc2)cc1 269185721 KZBCFOACABTVNM-IUODEOHRSA-N 299.378 1.609 0 50 CDAA O=C(O)Cc1ccc(CNC(=O)CC[C@@H]2CCOC2)cc1 630233666 XOAUBIXMVRQMIS-CQSZACIVSA-N 291.347 1.747 0 50 CDAA CO[C@@H]1CN(C(=O)CCc2c(C)n[nH]c2C)CC[C@H]1C 187755715 FKCVKQQEUWBDPB-QMTHXVAHSA-N 279.384 1.843 0 50 CDAA C[C@]1(C(N)=O)CCCCN1CC(=O)Nc1ccccc1 185896487 ROTRJWPZHVVQEF-OAHLLOKOSA-N 275.352 1.355 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](CN)CO2)C1 91303590 CYIJGWKOFZHWLD-RISCZKNCSA-N 270.373 1.751 0 50 CDAA in-vitro Cc1csc(CNc2ccc(S(C)(=O)=O)nc2)n1 169058014 OOMJQYCGQVJAJV-UHFFFAOYSA-N 283.378 1.862 0 50 CDAA O=C1NC2(CCCC2)C(=O)N1CCC[C@@H]1CCOC1 515146179 YDCBPHGEGHVDIM-LLVKDONJSA-N 266.341 1.668 0 50 CDAA Cc1cccc(S(=O)(=O)CCCn2nnc(C)n2)c1 170614707 KWCNLILLUVNNRA-UHFFFAOYSA-N 280.353 1.154 0 50 CDAA CCN1C[C@@H](C)N(Cc2nnnn2C(C)(C)C)C[C@H]1C 408254430 MVTHGSIQXTVDHI-VXGBXAGGSA-N 280.420 1.343 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)n1 408516178 VPECJFQGSHXFRS-DGCLKSJQSA-N 264.373 1.677 0 50 CDAA Cc1n[nH]cc1CN1CCC[C@H]1Cn1cc(C2CC2)nn1 556692073 JMNKRYZCSDQXOQ-AWEZNQCLSA-N 286.383 1.852 0 50 CDAA CC1(C(=O)N[C@H]2COc3c(Cl)cccc32)CNC1 643510993 IFZPKOQYQRGIBG-JTQLQIEISA-N 266.728 1.499 0 50 CDAA NC(=O)CN1CCC[C@@H](c2cc(F)ccc2F)C1 191680227 OCDXSUFCSDIEDG-SECBINFHSA-N 254.280 1.630 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)c2csnc2C)C1(C)C 191803677 WTAQKERGLMPYFV-RISCZKNCSA-N 298.408 1.747 0 50 CDAA Cc1ncccc1CN1CC[C@@H](C)S(=O)(=O)CC1 192052104 RMIWEPLJZMWFRV-LLVKDONJSA-N 268.382 1.399 0 50 CDAA Cc1ccc(S(=O)(=O)Cc2nnnn2C(C)C)cc1C 195479217 ZSQADVHKXIAVQZ-UHFFFAOYSA-N 294.380 1.845 0 50 CDAA C[C@@H]1CCN[C@H](C)[C@H]1NC(=O)c1ccc(C(=O)O)cc1 570098397 QOPSOPJIIJCJBY-BREBYQMCSA-N 276.336 1.501 0 50 CDAA CC(C)n1c(O)nc2ccc(C(=O)N[C@H]3CCNC3)cc21 662400949 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CC(C)Cc1nsc(N2CCN(C)[C@@]3(CCOC3)C2)n1 1615590352 KTWJTVQWAKDKQR-AWEZNQCLSA-N 296.440 1.648 0 50 CDAA CC(C)=CCn1nc2n(c1=O)C(=O)N(c1ccccc1)C2 1547201223 QQZAJXRAFCJASK-UHFFFAOYSA-N 284.319 1.999 0 50 CDAA CNCC(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C 237208202 KFGJBIRJMUWXKN-GXFFZTMASA-N 282.771 1.848 0 50 CDAA O=C(O)C[C@@H]1CCCN1C(=O)CCc1ccoc1 262993504 QMTZPVLYNKPKQA-NSHDSACASA-N 251.282 1.678 0 50 CDAA CN1CC[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]2C1=O 1772808064 YBDQJZYAQLMLNH-ZBFHGGJFSA-N 270.376 1.564 0 50 CDAA CC(=O)c1cnc(N2CCC[C@H](N(C)C)CC2)nc1C 1772711300 XIXYYSLUFPETES-ZDUSSCGKSA-N 276.384 1.908 0 50 CDAA O=C1CO[C@]2(CCN(Cc3cccc4cnccc34)C2)CN1 1772813158 XMLKVDLDVSZCMY-QGZVFWFLSA-N 297.358 1.326 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2CN1CCn1cc(Cl)cn1 1772710044 UOIOMYJVBFPUFF-JQWIXIFHSA-N 282.775 1.232 0 50 CDAA COc1cc(OC)cc(N2C[C@H](C(=O)O)CC2=O)c1 12243796 MAIVMKPIFBEDAY-MRVPVSSYSA-N 265.265 1.141 0 50 CDAA Cc1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 16577633 PYIGOUANVGFOLB-UHFFFAOYSA-N 268.382 1.072 0 50 CDAA CCN1CCN(S(=O)(=O)Cc2ccccc2C)CC1 16578256 AGYDYMAHDJBBPO-UHFFFAOYSA-N 282.409 1.462 0 50 CDAA Cc1cc(CNC(=O)CSc2nnc(C)s2)no1 19220454 MCIQXUIBFHBGGJ-UHFFFAOYSA-N 284.366 1.551 0 50 CDAA CC(C)c1ccc(CN2CCN(CCO)CC2)cc1 19606845 GNYZZGGDDFSNFI-UHFFFAOYSA-N 262.397 1.920 0 50 CDAA c1ccc(-n2nnnc2SCCN2CCOCC2)cc1 19958737 VQWJTQQUDNFTAY-UHFFFAOYSA-N 291.380 1.087 0 50 CDAA c1cc2c(cc1CN1CCc3nncn3CC1)CCO2 200518114 XJZRQLDVDJSNTF-UHFFFAOYSA-N 270.336 1.271 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cnn(C)c3)n[nH]c21 1857528597 PUTVOHDEKAJYEZ-BDAKNGLRSA-N 289.339 1.095 0 50 CDAA Cc1ccc2nc[nH]c(=NCCCc3cnn(C)c3)c2n1 1857677980 HKUIXGAAEJJIRB-UHFFFAOYSA-N 282.351 1.533 0 50 CDAA CCC[C@@]1(CO)CN(Cc2nc(C3CC3)no2)CC[C@@H]1O 1857726610 ZTUAOTUTUBRKBQ-WFASDCNBSA-N 295.383 1.292 0 50 CDAA Cc1nc(C)n(-c2ccc(C(=O)N3CCN[C@H](C)C3)cc2)n1 237364934 BCTLTBHGROGASM-LLVKDONJSA-N 299.378 1.318 0 50 CDAA C[C@@H](C(=O)N1CCO[C@H](CC(=O)O)C1)c1cccc(F)c1 237456821 IMWRZMPWJDQUFE-ZWNOBZJWSA-N 295.310 1.631 0 50 CDAA Cc1nc2ccc(N3CCCc4c(cnn4C)C3)nn2n1 334135278 XWLMDHZOPBUNEE-UHFFFAOYSA-N 283.339 1.119 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)COCc1ccccc1Cl 238066647 UEFYLAZCFHTKKY-LBPRGKRZSA-N 297.738 1.932 0 50 CDAA N[C@H]1CCCC[C@H]1CC(=O)N1CCCn2nccc21 335069765 QXWZBOMNCLKYAV-RYUDHWBXSA-N 262.357 1.527 0 50 CDAA CC(C)c1ccc(C(=O)N2CCCNC(=O)[C@@H]2C)c(O)c1 335979172 FYESMUZSFVOEPZ-NSHDSACASA-N 290.363 1.866 0 50 CDAA CC[C@H](C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C)N1CCCC1=O 248333373 JYHIMCTXOQUTEI-HSMVNMDESA-N 296.411 1.707 0 50 CDAA CCc1cccc(NS(=O)(=O)c2ccnn2C)c1O 901959759 MHSOUEWHCVPIFY-UHFFFAOYSA-N 281.337 1.489 0 50 CDAA O=C(O)C1=CC[C@H](NC(=O)[C@H](O)C2CCCCCCC2)C1 907725126 XEVJRFJJXQFUCG-UONOGXRCSA-N 295.379 1.997 0 50 CDAA O[C@]1(c2ccc(F)cc2)CCN(c2ccc3nncn3n2)C1 827873338 UGUHRRPXCKHAFY-OAHLLOKOSA-N 299.309 1.361 0 50 CDAA C[C@@H]1C(=O)NCCN1C(=O)Nc1cncc(Cl)c1 932117569 UALGLVSYWRBVAK-SSDOTTSWSA-N 268.704 1.087 0 50 CDAA COCCNC(=S)N1CCN(Cc2ccccc2)CC1 19859242 GSWLHYVFTJVGOO-UHFFFAOYSA-N 293.436 1.325 0 50 CDAA COC[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)O)c1 237159427 BRVVDMMYRGMAPN-SECBINFHSA-N 251.282 1.914 0 50 CDAA CC(C)c1cc(N2CCC(F)(CO)CC2)nc(N(C)C)n1 1875294664 MERCXXADEZIJHN-UHFFFAOYSA-N 296.390 1.967 0 50 CDAA CCc1noc(C2CCC(C(=O)O)(n3ccnc3)CC2)n1 1875280726 CHKOOMOHMINSFO-UHFFFAOYSA-N 290.323 1.966 0 50 CDAA O=C(NCc1n[nH]cc1C1CC1)c1cnc(F)c(F)c1 1875380391 NFOKRHIVOJRMBR-UHFFFAOYSA-N 278.262 1.890 0 50 CDAA CN(Cc1ccc(N(C)C)nc1)C(=O)CN1CCCCC1 1875321396 HHOUBXYZPYIYTR-UHFFFAOYSA-N 290.411 1.592 0 50 CDAA CNCCN(C)Cc1cc(-c2cnn(C)c2C)no1 1875356577 QVXARLLIIXTLTC-UHFFFAOYSA-N 263.345 1.035 0 50 CDAA CCN1CCC[C@@H](NCc2ccnc(-n3cccn3)c2)C1 1875346452 DTRPNHNHXVULAH-OAHLLOKOSA-N 285.395 1.841 0 50 CDAA CC[C@@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccncc1 886097106 NRYMXFFOSIQYLM-LXTVHRRPSA-N 272.352 1.693 0 50 CDAA C[C@@H](C(=O)N1CCc2ncccc21)c1ccnn1C 888142083 OUEKDUJDKYJYCF-SNVBAGLBSA-N 256.309 1.508 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCc2nnc(O)cc2C1 1775956088 PFHBRRJBVRBJPN-SECBINFHSA-N 265.313 1.564 0 50 CDAA C=CC(=O)N[C@H]1CCC=CCC[C@H]1C(=O)OCC 1776003046 SFDFRCGBAWLFNL-NEPJUHHUSA-N 251.326 1.967 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1 137571182 MFUCMTIVYRQXAH-WISYIIOYSA-N 261.277 1.503 0 50 CDAA Cc1ccc(CN(C)C(=O)c2ccc(=O)[nH]n2)cc1 20776429 CBQNGNMNKWHPCM-UHFFFAOYSA-N 257.293 1.351 0 50 CDAA CSCc1ccc(C(=O)N2CCOC[C@H](CO)C2)o1 77297879 XLDCCACHANXGMU-JTQLQIEISA-N 285.365 1.224 0 50 CDAA O=C(c1ccc2c(c1)CCC2)N1CCOC[C@@H](CO)C1 77503624 CQRYJIPMRKPMQH-GFCCVEGCSA-N 275.348 1.256 0 50 CDAA C[C@H]1[C@@H](NC2CCC3(CC2)CC3)CCS1(=O)=O 336380082 GDSOJQOYJCFEPK-JQWIXIFHSA-N 257.399 1.874 0 50 CDAA CCc1ncnc(N[C@@H]2CCn3nccc3C2)c1F 585382347 HKMJWNIQLWSRJY-SECBINFHSA-N 261.304 1.802 0 50 CDAA COc1ccc(C(=O)N(C)CCC(=O)O)cc1Cl 909173765 UVUVNJUNHISHDR-UHFFFAOYSA-N 271.700 1.895 0 50 CDAA CC(=O)NCc1cn([C@@H](C)c2ccc(F)cc2C)nn1 899735175 DZRBBSOQCJZURD-JTQLQIEISA-N 276.315 1.971 0 50 CDAA CC(C)c1nocc1C(=O)N[C@@H]1C[Si](C)(C)C[C@H]1O 2325803526 MIPHDHPKDOKWRU-GHMZBOCLSA-N 282.416 1.979 0 50 CDAA Cn1nccc1-c1ccnc(N2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)n1 910333413 WBZWCPKFDKREEB-CWSCBRNRSA-N 299.334 1.034 0 50 CDAA C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)[C@H](C)C(=O)O 132367571 RDNYSDRLVAPBRB-BQBZGAKWSA-N 299.710 1.908 0 50 CDAA COC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 66940 AMZIJZSVUKLVSN-UHFFFAOYSA-N 271.338 1.242 0 50 CDAA biogenic CN1C(=O)[C@@](O)(CC(=O)c2cccc(N)c2)c2ccccc21 84163 KKPZIJDDYVMPEL-QGZVFWFLSA-N 296.326 1.706 0 50 CDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCc1ccncc1 375306 WQCMSIZCJMYSFA-RYUDHWBXSA-N 262.309 1.589 0 50 CDAA COc1cc(OC)cc(C(=O)Nc2nncs2)c1 433813 PIGKMBVVPXHGBM-UHFFFAOYSA-N 265.294 1.808 0 50 CDAA CCSc1nnc(NC(=O)[C@H]2CCCO2)s1 476326 IOQBRKUJCFQTHV-ZCFIWIBFSA-N 259.356 1.768 0 50 CDAA O=C(CN1CCCC1)N1CCN(c2ccccc2)CC1 535692 LRIQDFJZPDXRLG-UHFFFAOYSA-N 273.380 1.431 0 50 CDAA O=C(O)CCC(=O)Nc1nnc(C(F)(F)F)s1 2707568 PTYFZPOMQNHYHW-UHFFFAOYSA-N 269.204 1.360 0 50 CDAA CC(=O)c1cccc(NC(=O)C(=O)NCc2ccco2)c1 4839081 VOHMTADIVJVKRO-UHFFFAOYSA-N 286.287 1.737 0 50 CDAA CCOC(=O)CCCCC(=O)c1[nH]c(=O)n(C)c1C 4917836 NNYHALYLSMFMGI-UHFFFAOYSA-N 268.313 1.328 0 50 CDAA CCn1cc(S(=O)(=O)NC2CCCCC2)cn1 6725540 VCFMKTGDVIXRAL-UHFFFAOYSA-N 257.359 1.514 0 50 CDAA O=S(=O)(c1ccccc1)N1CCN(C2CCCC2)CC1 55399334 UMBIQFKAXKKXOD-UHFFFAOYSA-N 294.420 1.936 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 10434451 SRHRNVWRWWSHPW-UHFFFAOYSA-N 294.376 1.867 0 50 CDAA CCCCCCOC(=O)[C@H]1CN1[C@H](CC)C(=O)OC 101840975 YATMUZOFWQFISU-IQQIRFCMSA-N 271.357 1.746 0 50 CDAA Cc1c(CN(C)C(=O)C(=O)c2ccco2)cnn1C 67678794 KCXWUHAYGLTKSZ-UHFFFAOYSA-N 261.281 1.163 0 50 CDAA NCCNCCOc1cccc(Br)c1 20118293 CCHBXIYCNQLGEQ-UHFFFAOYSA-N 259.147 1.376 0 50 CDAA O=C(NC1CC1)c1c(O)c2cccc3c2n(c1=O)CC3 100621193 MSOMBMRNGGHQQG-UHFFFAOYSA-N 270.288 1.155 0 50 CDAA CCc1ccccc1OCCNC[C@@H]1CCS(=O)(=O)C1 65405625 OXRJNKNLVGBCJZ-ZDUSSCGKSA-N 297.420 1.652 0 50 CDAA COC(=O)C(=C/C(C)=C/N1CCCCC1)C(=O)OC 22108106 VXGDHTTTZUPODD-ZHACJKMWSA-N 267.325 1.649 0 50 CDAA CC(C)Nc1cc(N2CC[C@@]3(CCCNC3)C2)ncn1 67885142 WPDRMEDVEGLHMG-OAHLLOKOSA-N 275.400 1.877 0 50 CDAA CCOC(=O)c1cn(C[C@H](O)c2ccc(OC)cc2)nn1 409444183 PASBZAUCDPIZOJ-ZDUSSCGKSA-N 291.307 1.197 0 50 CDAA Cc1cnc(C(=O)Nc2ccc(Cc3nnn[nH]3)cc2)cn1 135547227 KCQLNJVMZHXORI-UHFFFAOYSA-N 295.306 1.141 0 50 CDAA O=C1NCCCc2[nH]c(-c3nnc(-c4ccccc4)o3)nc21 65434900 IDERRNFBEFGDBI-UHFFFAOYSA-N 295.302 1.803 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)s1 136166033 OCIZEWIYVQJOKP-YEZKRMTDSA-N 280.349 1.788 0 50 CDAA CC1(O)CN(S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 281207852 PYUSKIUVXJMPPQ-UHFFFAOYSA-N 289.422 1.801 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)/C=C/c2ccc(C)o2)C1 311906699 DJKWVDBBWSIASH-LRLQIDNFSA-N 265.309 1.209 0 50 CDAA Cn1c(Cc2ccccc2)nnc1S[C@H]1COC(=O)C1 36646344 FWEOUJKLUJMJGB-LLVKDONJSA-N 289.360 1.814 0 50 CDAA CCN1CC[C@H](N(C)C(=O)NCc2ccncc2)[C@@H](C)C1 229890752 LMHPIRAAAZWFLV-ZFWWWQNUSA-N 290.411 1.953 0 50 CDAA Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3S(C)(=O)=O)c1 503881159 XSEJLYUQDLZWEU-GJZGRUSLSA-N 294.420 1.603 0 50 CDAA O=C(NCc1nnc(S)n1C1CC1)[C@@H]1[C@H]2CCCC[C@H]21 252515544 LGTFZEOIGFTIBO-IAZYJMLFSA-N 292.408 1.954 0 50 CDAA CC(=O)CCC(=O)N1CCC(CC(=O)N2CCCC2)CC1 330389774 YIAKLHKFHRMHAS-UHFFFAOYSA-N 294.395 1.607 0 50 CDAA CC[C@@H]1C[C@@H](CNC[C@H]2CCCCS2(=O)=O)CCO1 329592507 ZJVYWRBGRXLILC-BFHYXJOUSA-N 289.441 1.749 0 50 CDAA NC[C@@H](c1ccncc1)N1CCC(O)(C(F)(F)F)CC1 35287512 GQQYAXJIHFVCJV-NSHDSACASA-N 289.301 1.471 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(c2nc3ccccc3nc2C)C1 284564154 OKOMKQUTYBAACO-GWCFXTLKSA-N 286.335 1.017 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccoc1Cl 284539471 HPDQBXFQINKXGW-IUCAKERBSA-N 273.716 1.809 0 50 CDAA CCn1cnnc1[C@@H]1CN(Cc2ccn(C)c2)CCO1 328629439 IFMGFVXZRFVZAY-ZDUSSCGKSA-N 275.356 1.210 0 50 CDAA CCOC(=O)c1cnc2ncnn2c1/C=C(\C)OCC 72406624 BZSYSPRZNWKGAQ-RMKNXTFCSA-N 276.296 1.698 0 50 CDAA Cc1ccc2cccnc2c1S(=O)(=O)N[C@@H](C)C(=O)O 362122822 HALYJRKMRXQAGJ-VIFPVBQESA-N 294.332 1.295 0 50 CDAA C[C@@H](C(=O)O)N1CCC(C(=O)Nc2ccccc2)CC1 262653958 LVMVMJWZAYGRFK-NSHDSACASA-N 276.336 1.810 0 50 CDAA CN(C)C(=O)NC1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 368309031 XONZINYAFSBFRB-IUCAKERBSA-N 269.345 1.123 0 50 CDAA CC1(C)C[C@](C)([C@H]2C(=O)CC(C)(C)C2=O)OC1=O 71771598 DSZHHEDTXMYGMM-LKFCYVNXSA-N 252.310 1.903 0 50 CDAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2)C1 261709170 MHHISMLNTUUUNR-OAGGEKHMSA-N 293.455 1.851 0 50 CDAA CN1CC[C@@]2(CCN(C(=O)C3CCN(C4CC4)CC3)C2)C1 335961732 IZDDOBSCLVNKMQ-QGZVFWFLSA-N 291.439 1.415 0 50 CDAA Nc1ncccc1CN1CC[C@@](O)(CN2CCCCC2)C1 77379389 XVXIUACZBBREIS-MRXNPFEDSA-N 290.411 1.087 0 50 CDAA CC[C@H]1CN(C(=O)CCOc2ccccc2C)CCN1 71763494 YBCRAAUIXSQVQF-AWEZNQCLSA-N 276.380 1.974 0 50 CDAA CCC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2F)C1 236830765 WMTXTURTIRUVOR-KBPBESRZSA-N 280.343 1.853 0 50 CDAA CN(C)c1ncc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=N)O)n1C 333462217 LVCKGBHZPWTALW-CYZMBNFOSA-N 291.399 1.622 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)[C@H]1CCc2cnn(C)c2C1 374248720 CMSQCJFSPJOGAX-JTQLQIEISA-N 273.340 1.504 0 50 CDAA O=C1C[C@H](NC2CC(c3ccccn3)C2)CN1C1CC1 377659997 SAJGVZKBRLMFNQ-BPCQOVAHSA-N 271.364 1.681 0 50 CDAA CC(C)[C@@]1(CO)CCN(CC2CCS(=O)(=O)CC2)C1 377626891 LGKRBHNLPRICMN-AWEZNQCLSA-N 289.441 1.152 0 50 CDAA N[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 158114441 KHJSUWAFKHFHGC-GFCCVEGCSA-N 288.326 1.575 0 50 CDAA CCc1cc(NCCCC(=O)NC)n2nc(C)c(C)c2n1 72478492 JVCUYQGQOHIHOJ-UHFFFAOYSA-N 289.383 1.847 0 50 CDAA CC(C)(CC(=O)NC[C@@H]1CCNC[C@H]1O)c1ccccc1 72174273 FFDYHDQOQMHJMW-DZGCQCFKSA-N 290.407 1.441 0 50 CDAA NC(=O)c1ccc(C(=O)N2CC(c3ccccc3F)C2)o1 336494850 BZLYWBWRHPGSCK-UHFFFAOYSA-N 288.278 1.757 0 50 CDAA CCN1CCc2ccc(S(C)(=O)=O)cc2CC1 334371493 PXXIOTOCDHHHQC-UHFFFAOYSA-N 253.367 1.511 0 50 CDAA O[C@@H](Cn1ccnc1-c1cccnc1)C(F)(F)F 77440242 ZXDDXQDCVIHLNC-VIFPVBQESA-N 257.215 1.868 0 50 CDAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](C(=O)O)C2)s1 237905267 LHGXZFQNAXWWIY-OUAUKWLOSA-N 295.360 1.472 0 50 CDAA CC(F)(F)c1ccc(C(=O)N[C@H]2C[C@@H](O)C2)cn1 334714707 KLIFDVHUEXWUII-DTORHVGOSA-N 256.252 1.446 0 50 CDAA 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254.330 1.152 0 50 CDAA Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H](N)C3)nc12 158159276 ZSLDRWVMAQSGPS-LBPRGKRZSA-N 286.379 1.754 0 50 CDAA CCOc1ccc(OCC(=O)NCC[C@H]2CCNC2)cc1 262562615 AIACJOYNRUNAKD-CYBMUJFWSA-N 292.379 1.580 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 238083422 XGZOMQBHLWHNTM-JTQLQIEISA-N 277.295 1.790 0 50 CDAA CC(C)[C@@H]1CN(Cc2c[nH]cn2)CCC(=O)N1CC1CC1 71745974 URZYFJDBPSVZEI-HNNXBMFYSA-N 290.411 1.879 0 50 CDAA CCc1nccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)n1 216234221 BJQKIRZDIRTAAM-GFCCVEGCSA-N 297.424 1.296 0 50 CDAA O=C(O)C[C@H]1CCCN1C(=O)Cn1ncc2ccccc21 263029407 UWCUMUWKJFVIEQ-GFCCVEGCSA-N 287.319 1.502 0 50 CDAA CC(=O)c1cn(CC(=O)N2CCC=Cc3ccccc32)nn1 451272531 MBCSRESZBSTUSO-UHFFFAOYSA-N 296.330 1.931 0 50 CDAA CNC(=O)c1cccc(C(=O)NCc2cccc(OC)n2)c1 173352508 KWZNOXPJSRZHFQ-UHFFFAOYSA-N 299.330 1.380 0 50 CDAA CC(=O)NCCNC(=O)c1ccc(N2CCCCC2)cc1 174009197 LAJIKRJUCCAVRQ-UHFFFAOYSA-N 289.379 1.543 0 50 CDAA C[C@H](CCn1cccn1)N[C@H]1CCO[C@@H]1c1ccnn1C 284586308 JSYAALROYAIWMN-IPYPFGDCSA-N 289.383 1.515 0 50 CDAA CCN(c1ccc(C(=O)N2CC[C@H](N)C2)cn1)C(C)C 132366836 IASHDINLGKHNGA-ZDUSSCGKSA-N 276.384 1.490 0 50 CDAA NC[C@@H]1CCCCN1C(=O)c1ccc2nccn2c1 178491790 QAXRTICNGDDIHD-LBPRGKRZSA-N 258.325 1.288 0 50 CDAA CC(=O)Nc1ncc(S(=O)(=O)NC2CC(C)C2)s1 288286368 VFDFBRXOWNFAEE-UHFFFAOYSA-N 289.382 1.178 0 50 CDAA COc1ccc(C(=O)N[C@H](CC(=O)O)CC(C)C)o1 426593793 OHQKOHYWACBGME-VIFPVBQESA-N 269.297 1.907 0 50 CDAA O=C(N[C@H]1CCN(C2CCCCC2)C1)c1cccnn1 529520159 RDJXOJJLVSYLTB-LBPRGKRZSA-N 274.368 1.613 0 50 CDAA C[C@@H](C(=O)NCC1(Cn2cccn2)CC1)n1ccnc1 426534054 LNLLRXQOEXTWMH-LBPRGKRZSA-N 273.340 1.237 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1oc(C)nc1C 223954244 FHQMIXJYPXCEHJ-WGBDABJCSA-N 280.324 1.071 0 50 CDAA CC(C)n1cc(CNC(=O)N2CCOCC2)cn1 426658345 LFNRRBRXQQSAFH-UHFFFAOYSA-N 252.318 1.006 0 50 CDAA CSc1ccc(C(=O)NC[C@H]2CCC(=O)N2)cc1 223410925 CSIKUYHRZGNMNQ-SNVBAGLBSA-N 264.350 1.417 0 50 CDAA Cc1cccc2[nH]c(CCC(=O)NC[C@@H]3CCCN3)nc12 178752725 BTJJJBGTZJKBCB-LBPRGKRZSA-N 286.379 1.672 0 50 CDAA Cc1nnc(CNC(=O)c2ccnc(C(C)C)n2)o1 426431406 UEYFVVROAFIGNA-UHFFFAOYSA-N 261.285 1.221 0 50 CDAA C[C@@H]1CCCN1CC(=O)N[C@H](C(=O)O)c1ccccc1 237402993 CPKRNVWURZJZLO-RISCZKNCSA-N 276.336 1.413 0 50 CDAA Cc1nc2ccccc2nc1CN1C[C@@H]2CC[C@H](CC1=O)N2 95526909 HRTMOUZHGHZIQO-OLZOCXBDSA-N 296.374 1.791 0 50 CDAA O=C(C[C@@H]1CCc2ccccc21)NCc1nnc2n1CCC2 91585966 QCVFFPJMAMTLJQ-ZDUSSCGKSA-N 296.374 1.961 0 50 CDAA O=C1OC2(CCNCC2)CN1Cc1nccn1C1CC1 95513286 UYUDCMVHJIJHCP-UHFFFAOYSA-N 276.340 1.292 0 50 CDAA Cc1nc(C)n(CCNC(=O)[C@@H]2CCCN(C(C)C)C2)n1 95497418 BRQKOECRQNKGGH-CQSZACIVSA-N 293.415 1.132 0 50 CDAA Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@@](C)(O)C2)s1 91552071 CMNQGMXURFRWID-KRTXAFLBSA-N 254.355 1.603 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)c1F 181399970 UQFLYGOLXQXHIJ-GFCCVEGCSA-N 299.367 1.934 0 50 CDAA CC(C)(C)C1=NS(=O)(=O)c2c(C(=O)O)cccc21 252510415 ZJSGAGIWKCKYAW-UHFFFAOYSA-N 267.306 1.922 0 50 CDAA CCn1cc([C@@H](C)NC(=O)c2cc3n(n2)CCC3)cn1 296836384 FFLFENMSSZJGFM-SNVBAGLBSA-N 273.340 1.537 0 50 CDAA C[C@H](Nc1ccc(N2CCOCC2)cn1)c1nccn1C 182877163 SXLYRSSNAGMECC-LBPRGKRZSA-N 287.367 1.825 0 50 CDAA CCO[C@@H]1C[C@@H](N(C)C(=O)CNC[C@H]2CCCO2)C1(C)C 299739934 TVIRZGJINSTGHT-MGPQQGTHSA-N 298.427 1.417 0 50 CDAA NC(=O)c1cc(Br)cc(-n2ccnc2)c1 252507929 WXMNHLLJUIPTKA-UHFFFAOYSA-N 266.098 1.734 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1cc(C)oc1C 534667014 UFSCKRSMUNBUNZ-RYUDHWBXSA-N 253.298 1.430 0 50 CDAA CC(C)c1cc(CNS(=O)(=O)N2CCCC2)no1 534590001 IWDRXADPHBKPII-UHFFFAOYSA-N 273.358 1.228 0 50 CDAA O=C(c1nnn2c1CO[C@@H](c1ccccc1)C2)N1CCCC1 263616446 ISBCAIZJLFTMOG-CQSZACIVSA-N 298.346 1.786 0 50 CDAA O=C([C@@H]1C=CCN1)N1CCC(OCc2ccccn2)CC1 534663298 APDIHBRMAMTXAU-HNNXBMFYSA-N 287.363 1.117 0 50 CDAA Cc1nn(C)cc1NC(=O)NC[C@@H](C)Oc1cccnc1 299759644 PSWZPBNBSRWXIQ-SNVBAGLBSA-N 289.339 1.713 0 50 CDAA COC[C@@H]1CCCN(C(=O)CCCN2CCCCC2=O)C1 824370165 ATZZAAQRASLROJ-CQSZACIVSA-N 296.411 1.664 0 50 CDAA CC(C)(C)c1cc(Cn2cnc3nccnc3c2=O)[nH]n1 584900618 MGYZOYSPOUFOSI-UHFFFAOYSA-N 284.323 1.255 0 50 CDAA O=C(Cn1ccccc1=O)N1CCOc2ccccc2C1 584891219 ZDGAYHISGCPINB-UHFFFAOYSA-N 284.315 1.270 0 50 CDAA Cc1cnc(N[C@@H](CO)Cc2cncs2)nc1 585136761 RLYHYXFHMXNYAZ-SECBINFHSA-N 250.327 1.257 0 50 CDAA CC(C)c1noc([C@H](C)NC(=O)CCn2cncn2)n1 584904133 GWQYOQJBNMQRCX-VIFPVBQESA-N 278.316 1.052 0 50 CDAA CCCc1cc2c(=O)n(CCc3cnn[nH]3)cnc2s1 584887015 ZZGCFCUVIQZRGW-UHFFFAOYSA-N 289.364 1.771 0 50 CDAA COc1ccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3)c(C)n1 667207728 PHORXCBMVGIQTR-FOSCPWQOSA-N 290.367 1.803 0 50 CDAA CCc1ccc(CN2CC[C@]3(C2)CN(C)C(=O)CO3)s1 670436562 NKADZPOLOXXYLY-OAHLLOKOSA-N 294.420 1.744 0 50 CDAA C[C@@H](CCC(=O)N1CCc2nocc2C1)N1CCOCC1 584894099 IXAHWMOZKKMLNI-LBPRGKRZSA-N 293.367 1.060 0 50 CDAA CNc1ncccc1C(=O)N[C@@H]1CCn2cncc21 1335982985 VDJRVOIBWWKDBN-SNVBAGLBSA-N 257.297 1.195 0 50 CDAA CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1ccnn1 685940859 XHNHECRRGQMADG-MXWKQRLJSA-N 294.355 1.235 0 50 CDAA Cc1[nH]nc(-c2nnc(N3CCCC3)n2C)c1Cl 1338702209 OMFXMASLDGAGGQ-UHFFFAOYSA-N 266.736 1.767 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCNC[C@@H]2O)sc1C 1565528086 OWOWTLWABMHEJI-MNOVXSKESA-N 268.382 1.065 0 50 CDAA Cc1cc(N)n(CC(=O)NCCCc2c(C)noc2C)n1 952980842 RNYHWJBHMGGUPU-UHFFFAOYSA-N 291.355 1.128 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnsn1 222990955 QHKLZRDNPQJFTP-HGNGGELXSA-N 281.337 1.396 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2ccnn2CC2CCC2)C1 630155330 HLMZENKXXSDTCE-NSHDSACASA-N 277.324 1.230 0 50 CDAA CC1(C)C[C@@H](NC(=O)c2cnn3cccnc23)CCO1 270023224 WNQNNFSACCIVOY-JTQLQIEISA-N 274.324 1.417 0 50 CDAA CC[C@]1(C(=O)O)COCCN1C(=O)OC(C)(C)C 95828762 SOHNOCHHIWUYFV-GFCCVEGCSA-N 259.302 1.487 0 50 CDAA in-vitro O=C(NCCSC(F)(F)F)N1CCC[C@H](O)C1 169959362 UMFNFJATBKFHCM-ZETCQYMHSA-N 272.292 1.406 0 50 CDAA O=C(NC1CCN(c2ccccn2)CC1)[C@@H]1CCCOC1 170792980 HYJQSDJXTVYTDM-CYBMUJFWSA-N 289.379 1.593 0 50 CDAA CO[C@@]1(C)CCCN(C(=O)c2cnc3n[nH]c(C)c3c2)C1 279910478 IHPHRANJKKVYCJ-HNNXBMFYSA-N 288.351 1.907 0 50 CDAA Cc1cccc(C)c1Cn1nc(CO)c(=O)cc1C 279918988 TVASGSCJIUNGCB-UHFFFAOYSA-N 258.321 1.709 0 50 CDAA c1nc([C@@H]2CCCN(Cc3csnn3)C2)n[nH]1 407947514 MIIATWGVTPIMSQ-MRVPVSSYSA-N 250.331 1.036 0 50 CDAA CCc1cnc(CC(=O)N2C[C@H]3CCCCN3C[C@H]2C)[nH]1 635577579 SQMMMVBNEQTPNP-TZMCWYRMSA-N 290.411 1.600 0 50 CDAA CCOC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 408517903 OOVDAYPLLGRWBJ-OLZOCXBDSA-N 254.374 1.213 0 50 CDAA Cc1ccc(OCC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)cc1C 408520820 YVVREIDOSMNGLU-QWHCGFSZSA-N 290.363 1.452 0 50 CDAA O=C(Nc1cccc(O)c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 219632883 PNHJWUORSIFOTR-WTTBSCSTSA-N 273.288 1.854 0 50 CDAA c1csc(N2CCN(CC[C@@H]3CCCO3)CC2)n1 188653851 BWMVDTLSHWKEBH-LBPRGKRZSA-N 267.398 1.834 0 50 CDAA Cc1ccn2ncc(C(=O)NCc3ccncc3C)c2n1 188851601 XEWSVJRQQBKNIR-UHFFFAOYSA-N 281.319 1.671 0 50 CDAA C[C@@H]1CN(c2cc(CO)ccn2)C[C@@]2(CCO[C@@H]2C)O1 641544504 XJWQUPAVQKLQRS-LALPHHSUSA-N 278.352 1.347 0 50 CDAA Cc1nccc(CCC(=O)NC[C@H]2CCC(C)(C)O2)n1 556750410 JTKDXYJOCXSPEC-CYBMUJFWSA-N 277.368 1.791 0 50 CDAA COC(=O)c1coc(Cn2cc(F)ccc2=O)c1 190740635 HQWGXTZYQDWDLA-UHFFFAOYSA-N 251.213 1.415 0 50 CDAA C[C@H]1OCCN(c2nc(=N)[nH]c3c2CCCC3)[C@@H]1C 645190714 NQARNTHFLNQRNH-NXEZZACHSA-N 262.357 1.382 0 50 CDAA CC[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)OC 192858349 QQFBJJKJLOWTHP-KBPBESRZSA-N 296.411 1.709 0 50 CDAA CCC(=O)NS(=O)(=O)c1ccc(-n2cccc2)cc1 193710697 TYPHSPSJTMDQII-UHFFFAOYSA-N 278.333 1.692 0 50 CDAA COC(=O)[C@@H]1CCN(C(=O)c2occc2C)C[C@@H]1C 195579300 DXNIDOXVDKXUTA-WDEREUQCSA-N 265.309 1.859 0 50 CDAA CC(C)c1ccc(C(=O)N[C@H](C)CC(=O)O)nc1 570942712 MCICDVONMYHPTD-SECBINFHSA-N 250.298 1.798 0 50 CDAA O=C(Cc1ccoc1)N1CCC[C@H]1Cn1ccnn1 671492494 JBYZZMLWQNUQKA-LBPRGKRZSA-N 260.297 1.105 0 50 CDAA C[C@H](CN(C)C)[C@H]1CCCCN1Cc1cnn(C)c1 585117013 OXKWCWHYPNZXAG-UKRRQHHQSA-N 264.417 1.972 0 50 CDAA CCS(=O)(=O)NCc1cccc(-c2cnco2)c1 585115408 YRVOXUGPZJNPPV-UHFFFAOYSA-N 266.322 1.781 0 50 CDAA CO[C@H](CNCCc1ccncc1C)[C@H]1CCOC1 585117413 BKKSGWQSUHKYSX-LSDHHAIUSA-N 264.369 1.574 0 50 CDAA c1cn([C@@H]2CCCN(CCO[C@@H]3CCCCO3)CC2)nn1 585116340 RBLIVZWAXAORLQ-HUUCEWRRSA-N 294.399 1.848 0 50 CDAA O=C(Nc1cccc(F)c1O)c1cc2n(n1)CCC[C@H]2O 1643685649 CBWZYCWJLKKNGE-GFCCVEGCSA-N 291.282 1.807 0 50 CDAA O=C(c1cc(-c2ccccc2)on1)N1CCOCC1 815039 IPKRJBLUZZJESB-UHFFFAOYSA-N 258.277 1.814 0 50 CDAA C[C@H](Cn1cncn1)C(=O)NCCSC(F)(F)F 1506414464 QGIBGTIMUYSNJI-SSDOTTSWSA-N 282.291 1.283 0 50 CDAA CO[C@H]1CN(c2cc(C)nc3ccccc23)C[C@@H]1O 1506421691 KTWOWOKQEVQTDI-GJZGRUSLSA-N 258.321 1.739 0 50 CDAA CC(C)N(Cc1ccccc1C(=O)O)C[C@@H]1CCC(=O)N1 1506428532 PKRUOHHASLNLRT-ZDUSSCGKSA-N 290.363 1.874 0 50 CDAA COC[C@H]1CCCN(C(=O)[C@@H](N)c2ccccc2)C1 225441878 PGVIFUXJLMLGKD-JSGCOSHPSA-N 262.353 1.571 0 50 CDAA CC(C)=CCCN(C)C[C@H]1CCCN(CCO)C1 1529173106 MIPHUECICBOAQU-OAHLLOKOSA-N 254.418 1.979 0 50 CDAA COc1cccc(/C=C2\SC(=N)NC2=O)c1OC 4037216 GUZXOEURHZVATE-TWGQIWQCSA-N 264.306 1.842 0 50 CDAA COc1cnc(C)cc1C(=O)NCc1c(C)n[nH]c1C 1857666258 NIOIDKJQHUAPLA-UHFFFAOYSA-N 274.324 1.669 0 50 CDAA Cc1nccn1CCCC(=O)N1CCC[C@@H]1C(=O)O 237620470 YNGITBSETHUNPS-LLVKDONJSA-N 265.313 1.047 0 50 CDAA CO[C@@H]1CCCN(C(=O)CCCN2CCCCC2=O)C1 1772804980 HKNHRQTWOFNGBL-CYBMUJFWSA-N 282.384 1.417 0 50 CDAA Cc1nc(N2C[C@@H]3COCC[C@]3(CO)C2)nc2c1CCC2 1772700286 BAQYSVKHHBUKKO-MLGOLLRUSA-N 289.379 1.109 0 50 CDAA CC(C)N(C)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1 15075562 QZVWUVOWIRTPSF-AWEZNQCLSA-N 281.444 1.659 0 50 CDAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1cc[nH]n1 18204393 KAFDLCZZUNXGPU-YUMQZZPRSA-N 251.673 1.432 0 50 CDAA NC(N)S[C@H](CN1CCCCC1)C(F)(F)F 19321129 ZNFKQGOUOBQICP-SSDOTTSWSA-N 257.325 1.337 0 50 CDAA CN1CCN(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 19812470 RHUXJRUSGMCKPM-JKSUJKDBSA-N 287.407 1.154 0 50 CDAA CCC[C@@]1(CO)CN(CCc2cccc(C)n2)CC[C@@H]1O 1857716857 HKZAIUUFAQXWQK-IRXDYDNUSA-N 292.423 1.778 0 50 CDAA CC[C@H]1C[C@@H](O)CC2(CCN(Cc3ccnn3C)CC2)O1 1857674236 ZLRZGRKVJAIQSV-CABCVRRESA-N 293.411 1.705 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2-c2cc(C)oc2C)C1 601044055 MFLRXCFEORMOQA-SNVBAGLBSA-N 275.308 1.890 0 50 CDAA COc1cnc(C(=O)N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)nc1 634484531 DHHQZUAADQKMPW-AGIUHOORSA-N 291.351 1.251 0 50 CDAA CC[C@]1(C)CN(C(=O)NCc2ncoc2C)CCO1 225504141 VBIAKDQJSYRLLO-CYBMUJFWSA-N 267.329 1.694 0 50 CDAA CC1CCN(CCCCNC(=O)CCc2ncc[nH]2)CC1 225748434 XXCBBOPNQGMYDY-UHFFFAOYSA-N 292.427 1.971 0 50 CDAA Cc1cc(-c2cnc(N3CCC[C@@H](O)C3)nc2)c[nH]c1=N 629759050 HEUQRFZEUPFPJA-CYBMUJFWSA-N 285.351 1.221 0 50 CDAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CCOC2)C(=O)O)c1 237671360 CCAPPNYXZHQJAO-UONOGXRCSA-N 291.347 1.391 0 50 CDAA CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccoc1 129100112 AFAPFPRDQMMYLU-LLVKDONJSA-N 274.324 1.627 0 50 CDAA CCOC(=O)[C@]1(COC)CCCN(Cc2nccn2C)C1 252478570 APQOGNILFRZZHY-OAHLLOKOSA-N 295.383 1.212 0 50 CDAA O=C(O)CCC(=O)N=c1cc(CC2CCCCC2)[nH][nH]1 573800877 CIVHQKJVGLIEGS-UHFFFAOYSA-N 279.340 1.758 0 50 CDAA C[C@@](O)(CN1CCC(COc2ccccc2)CC1)C(=O)O 575065747 XWJDEKJWGVSSHK-MRXNPFEDSA-N 293.363 1.613 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)OCCCO2 262580752 FOWCVSYNHXNPNO-GHMZBOCLSA-N 291.303 1.185 0 50 CDAA C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@H]1C[C@H]1C(=O)O 262613891 LOCFRMVZQGXLSL-CABNGKKXSA-N 289.331 1.696 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CC[C@H](OCC(C)C)C1 901040811 PQUKLBQAZJBRFR-ZDUSSCGKSA-N 282.384 1.294 0 50 CDAA Cc1ccc(-c2noc([C@]34CNC[C@H]3CCOC4)n2)o1 904683490 JKQMHUFMLUBYSJ-YGRLFVJLSA-N 275.308 1.516 0 50 CDAA CCOc1ccc(S(=O)(=O)NCc2ocnc2C)cn1 907598036 NULFCQMTIVBHAB-UHFFFAOYSA-N 297.336 1.255 0 50 CDAA CC[C@H](C(=O)O)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 822549774 GCIJMJMTLSXUQY-ZANVPECISA-N 292.335 1.933 0 50 CDAA CN(CC1CC1)C[C@H]1CCN(C(=O)Nc2ccon2)C1 930655019 AYAYTDDZZZOOFE-GFCCVEGCSA-N 278.356 1.870 0 50 CDAA O=C(N=c1[nH]oc2ccc(F)cc12)C1CCOCC1 1851794778 GIKCMEYOFFSNGJ-UHFFFAOYSA-N 264.256 1.754 0 50 CDAA O=S(=O)(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cnc2sccn12 1875297680 AHVFOTQWGFEIGO-KXUCPTDWSA-N 297.405 1.863 0 50 CDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](c2cc(F)ccc2F)NC1=O 1875278827 KRZYLLMGPYILSL-CQFDHEJISA-N 282.290 1.667 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)CCC)CC1 1875369390 LGDSPZKUCWIBDL-NSHDSACASA-N 252.358 1.716 0 50 CDAA C=CC(=O)NCc1cc(Cl)cc(S(C)(=O)=O)c1 1875367407 QGDLTWQUXPPDST-UHFFFAOYSA-N 273.741 1.546 0 50 CDAA Cc1ccn(-c2ccc(C(=O)NN3C(=O)CCC3=O)cc2)c1 1875380898 DJCZDXZBOSUSJQ-UHFFFAOYSA-N 297.314 1.580 0 50 CDAA CO[C@@H]1COc2ccccc2[C@H]1NC(=O)/C=C/CN(C)C 1875377275 WRMAJEHZHTYMJP-FPTQRPOBSA-N 290.363 1.369 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3=CCOCC3)n[nH]c21 1875395015 GPEORBBUXKHTQZ-ZJUUUORDSA-N 291.351 1.508 0 50 CDAA O=C1NCc2ccc(N[C@@H]3CCCS(=O)(=O)C3)cc2N1 1776003304 IMULDLASHJCJOR-LLVKDONJSA-N 295.364 1.311 0 50 CDAA COC(=O)c1cc(CNC(=O)[C@@H](F)C(F)(F)F)ccn1 898993745 SNKGJQFDRMVYEV-MRVPVSSYSA-N 294.204 1.385 0 50 CDAA CNC(=O)NCc1cn(C[C@@H]2CCCCC2(F)F)nn1 899724260 LEZTVNDUMGVWOD-VIFPVBQESA-N 287.314 1.533 0 50 CDAA CN(Cc1cccc(C(=O)O)n1)CC1(C)COC1 534581845 JSOIYGLMNCAKOS-UHFFFAOYSA-N 250.298 1.248 0 50 CDAA C[C@H](Oc1cccc(F)c1)C(=O)N(C)C[C@H]1C[C@@H](O)C1 629261584 SITQZFWFXZONJQ-GMXVVIOVSA-N 281.327 1.822 0 50 CDAA COCC[C@H]1CN(Cc2nncn2C(C)C)CCO1 670459556 VYSUYKWVTCHPKV-LBPRGKRZSA-N 268.361 1.096 0 50 CDAA COC(=O)c1sc(N2CC(n3ccnn3)C2)nc1Cl 374784703 UHJQKIJTBOTDTJ-UHFFFAOYSA-N 299.743 1.236 0 50 CDAA CCOC(=O)[C@@]1(CC)C[C@@](C)(c2csc(N)n2)OC1=O 345729 XITNPQXGYUKJRD-QWHCGFSZSA-N 298.364 1.847 0 50 CDAA CCO[C@@H]1C[C@@H]2CN(C(=O)NC)Cc3cccnc3N2C1 2325759908 WOAYIDRKJFLYAQ-CHWSQXEVSA-N 290.367 1.220 0 50 CDAA N[C@@]12CCOC[C@@H]1CN(C(=O)c1occ3c1CCCC3)C2 2325809061 AVMFINMVXUWQLS-BLLLJJGKSA-N 290.363 1.348 0 50 CDAA CCc1nnc2ccc(S[C@H](C)C(=O)O)nn12 2325817103 GTHMFFNXMQCQBO-ZCFIWIBFSA-N 252.299 1.252 0 50 CDAA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 28144 VAYRSTHMTWUHGE-CQSZACIVSA-N 295.294 1.979 0 50 CDAA biogenic,in-vitro Cc1nnsc1C(=O)Nc1ccc2c(c1)OCCO2 147915 NTAPQUZVIWRAEC-UHFFFAOYSA-N 277.305 1.870 0 50 CDAA Cc1ccc(C(=O)Nc2nnn(C)n2)c(Cl)c1 558073 YGTIRJCTHVLQQR-UHFFFAOYSA-N 251.677 1.424 0 50 CDAA O=C1c2ccccc2C(=O)N1CCc1cscn1 1438711 BOSVYXCOEKBACV-UHFFFAOYSA-N 258.302 1.982 0 50 CDAA O=C(Cn1nnc2ccccc2c1=O)c1ccc(F)cc1 3617975 DVYWCDCDAWHBBR-UHFFFAOYSA-N 283.262 1.814 0 50 CDAA O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1 3645041 AIKBGOLKCFZIGN-IHRRRGAJSA-N 287.363 1.414 0 50 CDAA CSc1nsc(SCC(=O)N2CCOCC2)n1 4434199 HROMBTOSYFJDHG-UHFFFAOYSA-N 291.423 1.211 0 50 CDAA COc1ccc(CN2CCC[C@@H](O)C2)c(OC)c1C 4977597 WGPVDNSATDVAPK-CYBMUJFWSA-N 265.353 1.969 0 50 CDAA O=C(NCc1ccncc1)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 6714839 OMBDVMJZNSFCTI-CLRIEMFWSA-N 288.347 1.835 0 50 CDAA COCCNC(=O)C1CCN(C(=O)C(C)(C)C)CC1 6906084 YBTIXHORWSXYBJ-UHFFFAOYSA-N 270.373 1.034 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCCO1 225073488 XIKCEXZXSXZZAJ-CYDGBPFRSA-N 281.352 1.800 0 50 CDAA COc1ccc(C[C@H](C)NC2CCN(C)CC2)cn1 414058011 GOCRLGKKPPKBML-LBPRGKRZSA-N 263.385 1.705 0 50 CDAA COC[C@@H]1CN(Cc2cc(C)on2)CC(C)(C)O1 343337962 IWGJPAJONHIVNW-LBPRGKRZSA-N 254.330 1.609 0 50 CDAA CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)c1ncn[nH]1 55088701 BAGJTEJFBXCYDM-UHFFFAOYSA-N 298.350 1.694 0 50 CDAA COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1[C@H]2CCC[C@H]21 246620521 BXIGLDIZXHVERD-XZUYRWCXSA-N 290.367 1.422 0 50 CDAA CCN(CCOC)C(=O)CSc1nnc(C)s1 55243715 GFJSFXWNBXFSDP-UHFFFAOYSA-N 275.399 1.434 0 50 CDAA O=C(CN1C(=O)c2ccncc2C1=O)Nc1cccc(O)c1 20427175 YNFIWKBASZLHLK-UHFFFAOYSA-N 297.270 1.022 0 50 CDAA COC(=O)c1ccc(S(N)(=O)=O)cc1C(F)(F)F 170620406 LMJMLBDFAJBBOQ-UHFFFAOYSA-N 283.227 1.139 0 50 CDAA O=C(NCCc1nc(-c2ccccn2)no1)c1ccncc1 109495951 LJCMASROEWYKCW-UHFFFAOYSA-N 295.302 1.499 0 50 CDAA CO[C@H](CC(C)C)CS(=O)(=O)N(C)c1ccn(C)n1 420691643 QQPYQJUDJCCKOE-LLVKDONJSA-N 289.401 1.247 0 50 CDAA Cc1cc(C)n(CCNC(=O)c2csc(C)n2)c(=O)n1 65383582 SHIPWERRNPJRAM-UHFFFAOYSA-N 292.364 1.055 0 50 CDAA O=C(CCn1cnnn1)NCc1cc2cc(F)ccc2[nH]1 20912295 AOPYCSKOEFDRCN-UHFFFAOYSA-N 288.286 1.000 0 50 CDAA CS(=O)(=O)c1ccc(-c2cccc(C=O)n2)cc1 25758309 QXKMSDYWZMIYDE-UHFFFAOYSA-N 261.302 1.965 0 50 CDAA CNc1cc(C(=O)N(Cc2noc(C)n2)C(C)C)ccn1 67677746 QCRUQACATNTFGW-UHFFFAOYSA-N 289.339 1.866 0 50 CDAA CSc1cccc(CN2CCN(C)[C@@H](CCO)C2)c1 20781211 OUOIVQCFBYONIT-AWEZNQCLSA-N 280.437 1.907 0 50 CDAA COCc1cc(CN[C@H](C)Cn2nc(C)cc2C)[nH]n1 1506411227 XMKSYCPFPKASAV-LLVKDONJSA-N 277.372 1.548 0 50 CDAA C[C@@H](NC(=O)c1ccoc1C1CC1)C(=O)N(C)C 281284058 OPMMTPHCEMVXGD-MRVPVSSYSA-N 250.298 1.364 0 50 CDAA COc1ccc(C)cc1CC(=O)N1CCO[C@H]([C@H](C)O)C1 331347493 MMXQSZQKGUWDNS-WFASDCNBSA-N 293.363 1.154 0 50 CDAA CN1CC[C@@H](CNCc2cc[nH]n2)[C@@H]1c1cccnc1 328646565 SSBCPPSXWNSRDZ-ZFWWWQNUSA-N 271.368 1.587 0 50 CDAA COc1ccc(CN(C)[C@@H]2CCCC[C@@H]2O)cn1 215748994 DHPWSCHPGCNQHL-OLZOCXBDSA-N 250.342 1.826 0 50 CDAA Cn1nncc1/C=C(\CC(=O)O)c1nc2ccccc2o1 430980052 XZICAJVJDIKAIK-RMKNXTFCSA-N 284.275 1.972 0 50 CDAA Cc1nnnn1CC(=O)c1cc(C)n(C2CC2)c1C 123402102 XNNKMHMJSHRRCP-UHFFFAOYSA-N 259.313 1.618 0 50 CDAA O=C(Nc1ncco1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 253369722 HHOVULKYWKLJLY-OPRDCNLKSA-N 263.297 1.754 0 50 CDAA Cc1ccc(N2CCCC2)c(C(=O)N(C)CC(=O)O)c1 153073079 IDQGQCOTWHJEGD-UHFFFAOYSA-N 276.336 1.752 0 50 CDAA CC(C)(C)n1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cn1 262737167 VSIQGUGZIYYKIN-KOLCDFICSA-N 279.340 1.621 0 50 CDAA CC(C)N1CC[C@H](NC(=O)c2cccc(C(=O)O)c2)C1=O 236832564 BWEFFPLVVYSHGD-LBPRGKRZSA-N 290.319 1.124 0 50 CDAA Cn1ncc2c(N3CCC[C@H](c4nc[nH]n4)C3)ccnc21 367260831 SMLYNXCKAZJPTQ-JTQLQIEISA-N 283.339 1.470 0 50 CDAA CCSCCCNC(=O)Nc1nccc(N(C)C)n1 337540522 QFVYCHFSJHXXNE-UHFFFAOYSA-N 283.401 1.807 0 50 CDAA COC1([C@H](C)NC(=O)c2cnn3c2CCC3)CCC1 334127293 QKXNFFFZTILVTL-JTQLQIEISA-N 263.341 1.517 0 50 CDAA CNC(=O)CCCNc1cc(C)nc2cc(C)nn12 72424785 QARNUENBFREBDS-UHFFFAOYSA-N 261.329 1.284 0 50 CDAA CN(C(=O)Cc1ccc2c(c1)CCCO2)c1cnn(C)c1 335376863 SLXIXZLSDGLLCM-UHFFFAOYSA-N 285.347 1.951 0 50 CDAA C[C@@]1(O)CCN(C(=O)CCO)C[C@@H]1Cc1ccccc1 72157898 RNRGYESGMCVEBW-GOEBONIOSA-N 277.364 1.211 0 50 CDAA O=C1NCCCC[C@H]1N1CCC[C@H](OCC2CC2)C1 375321346 VCQHIASGRBGOKQ-UONOGXRCSA-N 266.385 1.546 0 50 CDAA Cc1cccnc1CCNC(=O)c1cc(C2CC2)n(C)n1 452793436 UIDGBHPGFKUHEG-UHFFFAOYSA-N 284.363 1.973 0 50 CDAA COCc1ncsc1C(=O)Nc1c(C)nn(C)c1C 284662530 YNNYYOAOSDOIAW-UHFFFAOYSA-N 280.353 1.892 0 50 CDAA COc1ncccc1C(=O)N1CC[C@@](O)(c2ccccc2)C1 223192848 IZDFNGJLBDWDKW-KRWDZBQOSA-N 298.342 1.824 0 50 CDAA CC[C@@H]1COCCN1C(=O)c1ccc(C(=O)O)o1 132615828 HAIOVGNZSAOWAF-MRVPVSSYSA-N 253.254 1.229 0 50 CDAA COc1cncc(C(=O)N2CC(C)(C)[C@H]2C2CC2)n1 291012011 CMZFELWYTWABIH-GFCCVEGCSA-N 261.325 1.746 0 50 CDAA O=C1c2ccccc2[C@@H](O)N1c1ccc2ccc(=O)[nH]c2n1 44126526 DJUOHKIHHQKBAA-OAHLLOKOSA-N 293.282 1.574 0 50 CDAA Cc1cc(O)cc(=O)n1CC(=O)N(CC(F)F)C1CC1 176228523 RJFWZFSFZSPDCR-UHFFFAOYSA-N 286.278 1.118 0 50 CDAA CN(Cc1ccon1)c1cc(C2CC(N)C2)ncn1 222646619 SVAUVQUATAHGCA-UHFFFAOYSA-N 259.313 1.306 0 50 CDAA O=C(C[C@H]1CCOC1)N1CCC(Oc2ncccn2)CC1 426597404 LWIPZHWQZLODIQ-GFCCVEGCSA-N 291.351 1.273 0 50 CDAA C[C@H](CN1CCOCC1)C(=O)NCCCc1ccncc1 223374415 SABYYYGDEIFCEV-CQSZACIVSA-N 291.395 1.099 0 50 CDAA CN1CCC(NC(=O)CCc2ccc3c(c2)OCO3)CC1 47615822 MHZUHBZXDLLTDP-UHFFFAOYSA-N 290.363 1.558 0 50 CDAA CCCn1nccc1-c1ccc(N(C)CCO)nn1 426392645 BRBQJGVYGRKGBW-UHFFFAOYSA-N 261.329 1.179 0 50 CDAA CN(CCc1ncon1)C(=O)[C@H]1Cc2ccccc2S1 426422058 WVOQSBKEYPMYJI-GFCCVEGCSA-N 289.360 1.788 0 50 CDAA Cc1cncc(CNC(=O)N[C@H](CO)Cc2ccccc2)c1 179220149 NBENBKAGKWOFFX-INIZCTEOSA-N 299.374 1.793 0 50 CDAA O=C(C[C@H]1CCOC1)N(Cc1cocn1)Cc1cocn1 426701447 PMDCWKNSJBNICQ-LLVKDONJSA-N 291.307 1.618 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)NCCN1CCCCCC1 426571532 ARMJSHOPROFZIJ-ZDUSSCGKSA-N 278.400 1.745 0 50 CDAA CCn1nncc1C(=O)N1CCc2cc(OC)ccc21 293188344 WYZRYNFCMJCLJC-UHFFFAOYSA-N 272.308 1.510 0 50 CDAA COCCOCc1ncnn1-c1ccc2c(c1)CCC2 97756515 HKRZFQXNZPPGSK-UHFFFAOYSA-N 273.336 1.919 0 50 CDAA CC(C)c1nnsc1Cn1cc([C@@H]2CCOC2)nn1 91755254 ZEXRSAWMRSLOOS-SECBINFHSA-N 279.369 1.805 0 50 CDAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)Nc1cnns1 96164100 WODARLNVKOAQBD-UHFFFAOYSA-N 278.341 1.803 0 50 CDAA CN1CCCC[C@@H]1CN1CCC(c2nnc[nH]2)CC1 243893003 ANJNSDVIPKNAPN-CYBMUJFWSA-N 263.389 1.468 0 50 CDAA CC1=NO[C@H](C(=O)NCc2nc(C)c3c(n2)CCCC3)C1 244899672 ZNQUONKIZASSAT-ZDUSSCGKSA-N 288.351 1.445 0 50 CDAA Cc1[nH]cnc1CN1CCC(Oc2ncccn2)CC1 244899477 ZKMJSBBTEVZMJR-UHFFFAOYSA-N 273.340 1.552 0 50 CDAA Cn1ccnc1[C@H](O)C1CCN(CCc2cn[nH]c2)CC1 244774035 PMWKUIFSUMLLIX-CQSZACIVSA-N 289.383 1.131 0 50 CDAA CN(Cc1ccc2nonc2c1)C[C@H]1CCCN1C 244723931 MKLTVUVXQICGTE-GFCCVEGCSA-N 260.341 1.749 0 50 CDAA COC[C@@H](O)CN(C)[C@H]1CCCN(c2ccccc2)C1 182396472 KQMMHDJSKBQZED-HOTGVXAUSA-N 278.396 1.595 0 50 CDAA COC(=O)c1cn(CCc2ccccn2)cc2c(=O)[nH]nc1-2 253407255 JRSKOLBOPXVWHX-UHFFFAOYSA-N 298.302 1.101 0 50 CDAA CCOC(=O)[C@]12CCN[C@H]1CCN(C(=O)OC(C)(C)C)C2 261250129 ZMLGCFGHQXSXAH-NHYWBVRUSA-N 298.383 1.539 0 50 CDAA Cn1ncc(Cl)c1C(=O)NCc1nc(C(C)(C)C)no1 534578986 ILGGYQMWHPGCHF-UHFFFAOYSA-N 297.746 1.684 0 50 CDAA NC[C@H]1CN(CCCCOCc2ccccc2)CCO1 534673009 IPVLXRMPHYABLL-INIZCTEOSA-N 278.396 1.643 0 50 CDAA Cc1[nH]nc(CCC(=O)NC2(C)CCNCC2)c1C 534639159 WYBOETSAOIAREY-UHFFFAOYSA-N 264.373 1.217 0 50 CDAA Cc1cc(F)ccc1NC(=O)NC[C@@]1(O)CCCNC1 299781282 VQYGFYGWUKPUJV-CQSZACIVSA-N 281.331 1.370 0 50 CDAA CCc1cc(N2CCOC3(CCN(C)CC3)C2)nc(C)n1 645385543 YBWFULYMEONYRH-UHFFFAOYSA-N 290.411 1.648 0 50 CDAA CCCc1noc([C@H](C)NC(=O)c2nccn2C)n1 299794371 JRHDZJTYCYZBQH-QMMMGPOBSA-N 263.301 1.247 0 50 CDAA CS(=O)(=O)NC1(CN2CCCCC2)CCCCC1 824864475 RFFDASMQEJRIEV-UHFFFAOYSA-N 274.430 1.724 0 50 CDAA Cc1cnc([C@@H](C)NS(=O)(=O)CC2CCCC2)[nH]1 584889586 OOHGNWALHGTISG-SNVBAGLBSA-N 271.386 1.889 0 50 CDAA CC(C)N1CCC[C@H](CN(C)C(=O)c2cncnc2)C1 584886377 FOYNJVIRWRLWFF-CYBMUJFWSA-N 276.384 1.669 0 50 CDAA NC(=O)C1(n2cnc3cccc(F)c3c2=O)CCCC1 670461260 KMSBDANTVJLVEF-UHFFFAOYSA-N 275.283 1.290 0 50 CDAA CCc1nccn1C[C@@H](C)NCCn1ccnc1C 584896030 LGFMOHMSYUYQEX-GFCCVEGCSA-N 261.373 1.629 0 50 CDAA Cc1ccc2nc(CCNC(=O)C[C@H]3CCOC3)[nH]c2c1 584895013 KFILHIQTKNKMPJ-GFCCVEGCSA-N 287.363 1.957 0 50 CDAA O=C(c1ccc(Cl)cn1)N1CCc2nocc2C1 670433855 NYCMNLCOIZRVHR-UHFFFAOYSA-N 263.684 1.922 0 50 CDAA 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CDAA CNC[C@@H]1CCN(C(=O)COCc2ccccc2Cl)C1 178965712 ZGOAISHBFYATOP-LBPRGKRZSA-N 296.798 1.925 0 50 CDAA CC[C@H](C)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccc(O)nn1 530078329 FRHVEFCSKMSCNQ-UFGOTCBOSA-N 279.340 1.253 0 50 CDAA Cc1c(C(=O)N[C@@H](CC(C)C)c2ncnn2C)ccn1C 426640319 AALAGIHVJLOWFI-ZDUSSCGKSA-N 289.383 1.979 0 50 CDAA C[C@H](CNC(=O)c1cnc(OCC2CC2)cn1)CN(C)C 292270577 FZYSXIFSSPADBZ-LLVKDONJSA-N 292.383 1.193 0 50 CDAA CCO[C@H]1CN(Cc2noc(C3CCCC3)n2)C[C@@H]1O 223608062 JXHBMGBPKFTNCY-RYUDHWBXSA-N 281.356 1.309 0 50 CDAA Cc1nc(C(=O)NCc2ccc(CO)cc2)cs1 227486334 SYCUMIVJFLESDW-UHFFFAOYSA-N 262.334 1.874 0 50 CDAA O=C([C@H]1CC12CCCCC2)N1CCN(c2nc[nH]n2)CC1 426689107 FKIBKBDWCKCDBV-GFCCVEGCSA-N 289.383 1.424 0 50 CDAA O=C1SCC[C@@H]1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 239203264 SBGCWHCFBZJHPT-KQBLQLDCSA-N 297.376 1.272 0 50 CDAA CN1CCC[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 334607504 NGSVHTBGHWUKCZ-JTQLQIEISA-N 264.291 1.882 0 50 CDAA Cn1cncc1CN1CCC[C@H](CCC(=O)O)C1 90169582 KRSYVEGRHGAZAA-LLVKDONJSA-N 251.330 1.497 0 50 CDAA O=S1(=O)COCCN1CCCOc1ccccc1 92037764 SRABJLGKKHRCHN-UHFFFAOYSA-N 271.338 1.075 0 50 CDAA Cc1nc(Cn2ccnc2)n(Cc2ccc3c(c2)OCO3)n1 91548527 AIUPIZXNLMFIBW-UHFFFAOYSA-N 297.318 1.608 0 50 CDAA CN(CC1CCOCC1)[C@@H](C(=O)O)c1cccc(O)c1 95363151 RMBJHDANGSNQAR-CQSZACIVSA-N 279.336 1.876 0 50 CDAA Cc1nc(N(C)CCn2ccnc2C)c2c(C)noc2n1 95380474 RMYIHPOIVPKSSB-UHFFFAOYSA-N 286.339 1.876 0 50 CDAA COc1ccccc1/C=C/C(=O)N(C)C1CCNCC1 237082346 ZQCXTFJFBJAIDJ-BQYQJAHWSA-N 274.364 1.919 0 50 CDAA O=C1[C@H]2CC[C@H](CN(Cc3ncc[nH]3)C2)N1CC1CC1 95353593 RELXTWLLBPXBSU-QWHCGFSZSA-N 274.368 1.243 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 247255907 UWDIWTDQXZUBOA-AEGPPILISA-N 299.374 1.335 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CC12CCS(=O)(=O)CC2 606242752 BFDXIYNFZXYDFE-SECBINFHSA-N 275.370 1.478 0 50 CDAA CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@@H](C)S[C@H]1C 251977177 DTCBUAQEHFOPCO-YNFQOJQRSA-N 288.365 1.438 0 50 CDAA CC(C)n1cc(NC(=O)[C@H]2CCCCN2C)cn1 600988831 AKPJFCDUOFNXAX-GFCCVEGCSA-N 250.346 1.887 0 50 CDAA O=C(c1csc2c1CCCC2)N1C[C@@H]2NCCO[C@H]2C1 534655909 KCERXLCHBZINTK-STQMWFEESA-N 292.404 1.440 0 50 CDAA Cn1nccc1-c1ccnc2nc(C3CCC3)nn12 263587566 IISZXZNAMLOSFG-UHFFFAOYSA-N 254.297 1.792 0 50 CDAA Cc1nc(C)c(CC(=O)NCC[C@@H]2CCOC2)s1 534673901 DEDDSQFRBFMBDA-LLVKDONJSA-N 268.382 1.845 0 50 CDAA CC[C@H](NC(=O)c1csc(C)n1)c1ncnn1CC 534644704 JWWYWNLYLQHVLV-VIFPVBQESA-N 279.369 1.944 0 50 CDAA CC(C)N1C[C@H](N)C[C@H]1C(=O)NCCc1ccccc1F 299777454 NXGPZNWQZXXVSD-HIFRSBDPSA-N 293.386 1.294 0 50 CDAA Cc1n[nH]c(C)c1CNc1cc([C@H]2CCOC2)ncn1 299773970 GXRYWWVGLACYPP-NSHDSACASA-N 273.340 1.933 0 50 CDAA COc1ccc(CN(C)C(=O)C2(C)COC2)cc1OC 584884596 QHUZPUFNZRNAEE-UHFFFAOYSA-N 279.336 1.699 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)Cn1cccc1 584896306 YVMSETMGWIQIPD-LLVKDONJSA-N 261.329 1.367 0 50 CDAA CCOc1ccc(CN2CCC[C@@H](c3nc[nH]n3)C2)cn1 670448437 DPNWROSIRRFAIG-CYBMUJFWSA-N 287.367 1.978 0 50 CDAA CCCc1ncncc1C(=O)N[C@@H](C)c1nncn1C 670450311 NIXXVORSLFCPNK-VIFPVBQESA-N 274.328 1.049 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)c1cnc(C2CC2)nc1 670458274 IJSKNCRPQYDMGK-UHFFFAOYSA-N 297.362 1.321 0 50 CDAA COc1cc(C(=O)N[C@H](C)c2nn(C)cc2O)ccn1 1412757995 SALDBLZYSQPMJX-MRVPVSSYSA-N 276.296 1.020 0 50 CDAA COC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 841563725 BVVKYBGQHKBKQR-TXEJJXNPSA-N 263.293 1.864 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1cccc2c1COCC2 1550116444 TZOWTERFPFFLQF-NVXWUHKLSA-N 286.375 1.774 0 50 CDAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC=CC1 630093338 KBMFOBAEDYKBMH-HNNXBMFYSA-N 271.364 1.842 0 50 CDAA COC(=O)CC[C@@]1(C(=O)OC)CCN1Cc1ccccc1 95743092 DZSLDKBRWUVBRW-INIZCTEOSA-N 291.347 1.757 0 50 CDAA in-vitro Nc1nccnc1C(=O)Nc1cccc2cc[nH]c12 548472313 ACTYZWWUJXRBGS-UHFFFAOYSA-N 253.265 1.792 0 50 CDAA C[C@H]1OCC[C@H]1S(=O)(=O)N1CCc2ccsc2C1 275953956 AMPHUZUNUMEJPK-BXKDBHETSA-N 287.406 1.613 0 50 CDAA C[C@H]1CCC[C@@H](CC(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)C1 408037822 HXFITNAITBGHIX-UMSGYPCISA-N 266.385 1.783 0 50 CDAA Cn1cc(C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)c(C(C)(C)C)n1 408189708 YERRSEIVCNALRB-LOWVWBTDSA-N 291.395 1.561 0 50 CDAA C[C@@H]1OCC[C@@H]1Nc1cccnc1N1CCC(O)CC1 170067655 GPRYSGYPQHZGLJ-AAEUAGOBSA-N 277.368 1.632 0 50 CDAA CC(C)Cn1ccnc1CN1C(=O)[C@@H]2CCCN2C1=O 170592644 LFGZPCNPTBGCAF-NSHDSACASA-N 276.340 1.466 0 50 CDAA COC[C@@H](C)NC/C=C/CNC(=O)OC(C)(C)C 170616177 XKSADRONOVLCAR-XUIVZRPNSA-N 258.362 1.692 0 50 CDAA Cc1nn(C)cc1[C@@H](C)NC(=O)NCC1CCOCC1 170809933 CUTPBJMGDWXMOS-SNVBAGLBSA-N 280.372 1.515 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(c2nc3ccccc3o2)C1 643721025 QLZXGAQUTKJSDG-HNNXBMFYSA-N 289.335 1.295 0 50 CDAA O=S(=O)(c1ccccn1)N1CC2(CCC2)[C@@H]2COC[C@H]21 563527997 NCBZHVLJPLGOQF-VXGBXAGGSA-N 294.376 1.271 0 50 CDAA CNc1nc(N[C@H]2CCC[C@@H]2O)ncc1Br 195575377 QIYZTDXEEGFJKN-YUMQZZPRSA-N 287.161 1.606 0 50 CDAA COc1ccccc1/C=C/CNCCc1cn(C)nn1 585089152 MRTGGYWUCTXCCF-FNORWQNLSA-N 272.352 1.669 0 50 CDAA CCOC(=O)c1cnc(SCCn2cccn2)nc1C 585092406 VDOGJMPIVOERQY-UHFFFAOYSA-N 292.364 1.951 0 50 CDAA O=C1CC(C(=O)N(Cc2ccco2)Cc2ccco2)=NN1 731894833 ATZFQALCBNXRNA-UHFFFAOYSA-N 287.275 1.277 0 50 CDAA C[C@H]1C(=O)N(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C(=O)N1C 585128254 XAIUUGFRCHVFPH-XWLWVQCSSA-N 279.340 1.126 0 50 CDAA CCCCCOCC(=O)N1CC[C@H](N2CCC2)C1 585127928 MXPCXUXXMSHFGZ-ZDUSSCGKSA-N 254.374 1.500 0 50 CDAA CCN=c1ccc(-c2noc([C@@H](C)c3cnn(C)c3)n2)c[nH]1 585120336 IKUFXPOITFFUBC-JTQLQIEISA-N 298.350 1.871 0 50 CDAA Cc1cocc1C(=O)N1CCC2(CC1)OCC(=O)N2C 1615593055 XOXBCAWZOJTMOL-UHFFFAOYSA-N 278.308 1.009 0 50 CDAA C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)[C@H]1COC(C)(C)O1 1616037205 HFIKRJSXAHMQJW-CJYSPXJISA-N 277.364 1.774 0 50 CDAA O=C(c1ccncc1F)N1CCC[C@@H](C2(O)CC2)C1 1772804670 COECFYZYFLHGFM-SNVBAGLBSA-N 264.300 1.598 0 50 CDAA CC(C)(C)CC(=O)NS(=O)(=O)C1(Cl)CC1 828032908 PTLMTILKZTUKKQ-UHFFFAOYSA-N 253.751 1.598 0 50 CDAA CC(C)Cn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2 1547200862 LXQCKGDUCZQQPY-UHFFFAOYSA-N 290.298 1.828 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CNCC12CCOCC2 211948316 FCWPWFKRFIBNHR-SNVBAGLBSA-N 256.346 1.280 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCn2cccc2[C@H]1CC 1875366198 GBELWYCDJNECTJ-GFCCVEGCSA-N 275.352 1.426 0 50 CDAA CCCCCOCC(=O)Nc1nc(CC)n(C)n1 585090272 SLOZBDYUZMTONY-UHFFFAOYSA-N 254.334 1.523 0 50 CDAA O=C(NCCn1cc(Cl)cn1)[C@H]1CC2CCN1CC2 1775977407 GPCVTGPUOSUEIE-GFCCVEGCSA-N 282.775 1.137 0 50 CDAA Cc1nsnc1C(=O)N1CCC(c2ccncn2)CC1 1775981714 DECDWKHLFMOSLD-UHFFFAOYSA-N 289.364 1.656 0 50 CDAA CC(C)Cc1ccc(CN2C[C@H]3[C@@H](C2)C3(CO)CO)cc1 1772816421 QFZWNDMMYGPNSO-CALCHBBNSA-N 289.419 1.918 0 50 CDAA CCOC(=O)N1CCC(Nc2ncnc3cc[nH]c23)CC1 1772806534 AYJYVZGTMCANKJ-UHFFFAOYSA-N 289.339 1.991 0 50 CDAA CS[C@@]1(NC#N)NCCc2c1[nH]c1ccccc21 12899247 GMZYYHOFNRVXIZ-CYBMUJFWSA-N 258.350 1.858 0 50 CDAA biogenic CCN1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 16577604 AENWESINVQZXBB-UHFFFAOYSA-N 282.409 1.462 0 50 CDAA CCn1c(=O)[nH]c2ccc(Br)cc2c1=O 18136446 PULYYNNMEGAYOI-UHFFFAOYSA-N 269.098 1.472 0 50 CDAA NC(=O)C[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 623182668 ACAZQEAYRHQQDY-SNVBAGLBSA-N 276.340 1.157 0 50 CDAA CN(CC(=N)O)C[C@@H]1CN(C[C@@H]2CC=CCC2)CCO1 328631331 KIJGIHYZBDVZBZ-ZIAGYGMSSA-N 281.400 1.511 0 50 CDAA Cc1cccc(-n2cc(C(=O)N(C)C[C@H](C)O)nn2)c1 126628216 QNSUHIGECAZMMW-NSHDSACASA-N 274.324 1.029 0 50 CDAA NC[C@H]1CCCN1C(=O)c1ccc(-c2ncon2)cc1 238051833 BELRHDVLSXDSCS-GFCCVEGCSA-N 272.308 1.300 0 50 CDAA C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1nnnn1C 252494318 NRUIIAYYEJHICR-LLVKDONJSA-N 295.346 1.783 0 50 CDAA O=S(=O)(Nc1cnc2c(c1)COCC2)c1cccnc1 253420327 QGQZENRTYZWVJL-UHFFFAOYSA-N 291.332 1.350 0 50 CDAA Cc1cc(-n2cncn2)ccc1C(=O)N1C[C@H](C)N[C@H](C)C1 154271302 CPCPJNIEIYUFIK-BETUJISGSA-N 299.378 1.398 0 50 CDAA CC(C)(O)CN(C1CC1)[C@H]1CCN(C2CCOCC2)C1=O 376434544 PBAOHMAKCZTAOR-AWEZNQCLSA-N 296.411 1.002 0 50 CDAA Cn1ccc(CN2C[C@H](CN)Cc3cc(F)ccc32)n1 903787411 VXAIVELAHFBENY-NSHDSACASA-N 274.343 1.697 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cc(F)ccc1F)C2 1704316008 SHLDBSUVIMSNSP-JQWIXIFHSA-N 296.317 1.367 0 50 CDAA CNC[C@H]1CCCN1C(=O)COc1ccc(F)c(F)c1 911867442 GPGNPIIJCKTJHB-SNVBAGLBSA-N 284.306 1.554 0 50 CDAA CON(C)C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)F 1263704122 LUDBUVBXVSLVBV-XPUUQOCRSA-N 274.271 1.527 0 50 CDAA C[C@@H]1Cc2cc(C(=O)N[C@@H](CC3CC3)C(=O)O)ccc2O1 851599599 BBNIRGDKEPRAMC-RNCFNFMXSA-N 289.331 1.993 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@H](CO)c3cccnc3)c2c1 1162286811 XUUGETMBLPUMRR-CQSZACIVSA-N 296.330 1.501 0 50 CDAA Cc1ccc(F)c(C(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)c1 952888025 BNWOFTJGAMUDJL-NWDGAFQWSA-N 290.298 1.512 0 50 CDAA c1ccc2c(-c3n[nH]c(=N[C@@H]4CCOC4)o3)n[nH]c2c1 1875275197 YMZCPEKBBHWNGC-MRVPVSSYSA-N 271.280 1.236 0 50 CDAA COc1ccccc1O[C@@H](C)C(=O)N[C@H](C(=O)O)C1CC1 1875291787 LQGDLGMEFUEBMJ-ZANVPECISA-N 293.319 1.442 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(C(=O)[C@H]3C[C@@H]4CC[C@H](C3)O4)CC[C@H]21 1875304138 BGFOTQGJUDVSOJ-HTXLXMOSSA-N 279.336 1.123 0 50 CDAA CN(C)c1cncc(F)c1CNCC1(n2ccnn2)CC1 1875396820 DBDUDEKHGPYCCP-UHFFFAOYSA-N 290.346 1.157 0 50 CDAA Cn1cc2c(n1)C[C@@H](C(=O)N1CCC[C@]13CCOC3)CC2 1875310309 MDTOFEBVCBWZJS-BLLLJJGKSA-N 289.379 1.307 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@H]1C(F)(F)C12CCOCC2 1875377171 VALZAZGLKLPNTE-PGLGOXFNSA-N 288.338 1.282 0 50 CDAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@@H]1C[C@H]1c1ccncc1 1875311010 JKWDQPYXHLRFCN-GLBINXAQSA-N 286.331 1.411 0 50 CDAA C=CC(=O)N[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O 1875366788 ZOKSTYYCYWNGRI-GWCFXTLKSA-N 276.311 1.790 0 50 CDAA O=C(N[C@@H](CO)Cc1ccoc1)c1cccc(F)c1 1875362183 UTIAJOXIUFQOHT-CYBMUJFWSA-N 263.268 1.752 0 50 CDAA NC(=O)Cn1cc(CN2CCCCc3sccc32)nn1 877871385 OBYMJGZWGLSAPU-UHFFFAOYSA-N 291.380 1.168 0 50 CDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2cc[nH]c2)C1 886082571 POACRLHGCSLJRV-KFWWJZLASA-N 291.395 1.729 0 50 CDAA O=C(O)[C@H]1CCCN1Cc1cn(Cc2ccccc2)nn1 1776000410 PXKVQSQAVGFGMJ-CQSZACIVSA-N 286.335 1.375 0 50 CDAA O=C(CN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)NCC(F)F 252510328 ZHPGHYBTGZPEIB-LDMBFOFVSA-N 272.339 1.782 0 50 CDAA C[C@H](C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1)C1CC1 148098017 TYJUHCNHVAZONC-VHSXEESVSA-N 296.392 1.557 0 50 CDAA COc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)c1OC 268933972 ZVHNYUAIQGRVLF-VHSXEESVSA-N 279.292 1.041 0 50 CDAA Cc1cc(C)c(OCC(=O)N2CC[C@@H](CN)C2)c(C)c1 178566053 OWKQMLGOBQSHSQ-AWEZNQCLSA-N 276.380 1.798 0 50 CDAA CCC1(C(=O)O)CCN(C(=O)C[C@@H]2CCOC2)CC1 401212957 VSEPCJPYAQWAER-NSHDSACASA-N 269.341 1.516 0 50 CDAA CSc1ccccc1C(=O)N1CCOC[C@H](CO)C1 77287550 MIXNQMFKLGTVFW-NSHDSACASA-N 281.377 1.489 0 50 CDAA CCN1C[C@H](N[C@@H]2C[C@@H](N)c3ccccc32)CC1=O 333526549 IDAKOMFEEHRMBA-LERXQTSPSA-N 259.353 1.342 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)c1ccncc1F)C1CC1 574506763 YYMWUQQKQUFDKJ-LBPRGKRZSA-N 274.299 1.835 0 50 CDAA C[C@](O)(CN1C[C@H]2[C@H](N)CC[C@H]2C1)c1ccccc1 388826464 WSQJXXIDWYWYTM-XZDPQHSOSA-N 260.381 1.563 0 50 CDAA Cc1nc(CCCN2CCN(c3ccccc3)CC2)n[nH]1 20450404 ONMRUQSAQUYCJK-UHFFFAOYSA-N 285.395 1.868 0 50 CDAA CNC(=O)[C@@H](Cc1ccccc1)N1CCCOC1=O 2325718811 INTMADREYKJHIY-GFCCVEGCSA-N 262.309 1.186 0 50 CDAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@]12CCCNC2 2325769212 YIKPNCNRSNWWKU-MRXNPFEDSA-N 284.363 1.921 0 50 CDAA c1cnc(-n2cccn2)c(CN[C@@H]2[C@H]3C[C@@H]4CN[C@H]2[C@H]4C3)c1 925536810 GZPCKYHJXSQKOF-NPJQDHAYSA-N 295.390 1.353 0 50 CDAA COC(=O)NCc1cccc(CNC(=O)OC)c1 214711 JEMNNWYZZZUVQI-UHFFFAOYSA-N 252.270 1.399 0 50 CDAA CCOC(=O)[C@@H]1CCCN(C2CCN(CC)CC2)C1 221270 PUIJDEPPTRRDJD-CYBMUJFWSA-N 268.401 1.746 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)NCC(C)C 583214 VKJSQBKDJMQNAO-UHFFFAOYSA-N 257.355 1.938 0 50 CDAA CCn1ccnc1CN1CCC[C@]12CCCN(C)C2=O 2356141697 LZMPYRRQCDXJQG-HNNXBMFYSA-N 276.384 1.490 0 50 CDAA COCCN(CCOC)C(=O)c1ccc(O)nc1C(C)C 2356148698 NVTAQUOBKQNAHX-UHFFFAOYSA-N 296.367 1.646 0 50 CDAA COC(=O)NC(NC(=O)OC)c1ccc(OC)cc1 2952026 PUSNRXFKTHMFJN-UHFFFAOYSA-N 268.269 1.406 0 50 CDAA O=C(O)CCS(=O)(=O)Cc1ccc(F)cc1Cl 3028981 XEHBKKRNAVQBRZ-UHFFFAOYSA-N 280.704 1.869 0 50 CDAA CCCN1CCC[C@]2(CCCN2C(=O)c2cn[nH]c2)C1=O 2356162033 UVGGXNMREFDOCG-HNNXBMFYSA-N 290.367 1.417 0 50 CDAA COc1ccc(C(=O)NC[C@H](C)CN(C)C)cc1 4740409 FULBVEAGOMQODT-NSHDSACASA-N 250.342 1.623 0 50 CDAA CCN1C(=O)c2ccc(C(=O)NCC(C)C)cc2C1=O 4841206 IVSZBEXKCBDFJH-UHFFFAOYSA-N 274.320 1.688 0 50 CDAA Cn1nnnc1NCc1ccc(Br)cc1 6697614 CJLRJMCLIKGNHR-UHFFFAOYSA-N 268.118 1.585 0 50 CDAA O=S(=O)(NCCCN1CCCC1)c1ccc(F)cc1 7728024 VSLXOPGHAKSBSJ-UHFFFAOYSA-N 286.372 1.590 0 50 CDAA C[C@H](CS(C)(=O)=O)N(C(=O)c1cccnc1)C1CC1 113091832 UBZDWOOHSCYCGE-SNVBAGLBSA-N 282.365 1.119 0 50 CDAA CCN(Cc1cnn(CC)c1)C(=O)c1cccn1C 55386361 OWTPUHZIPCZVJQ-UHFFFAOYSA-N 260.341 1.904 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2ccc(C)nc2C)C1 344709368 KHKXGLQAUDWJHR-UONOGXRCSA-N 250.342 1.280 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cn[nH]c1C 248027069 KPCPCQAINIYJFJ-ZIAGYGMSSA-N 276.384 1.807 0 50 CDAA C[C@H]1CCC(=O)N1CC(=O)NCCN1[C@@H](C)CCC[C@H]1C 27733696 SRENKLLCHKVTEE-MJBXVCDLSA-N 295.427 1.376 0 50 CDAA O=C(Cn1cncn1)Nc1nn(CC2CC2)c2ccccc12 23619477 HYZSXUVUEBFLOS-UHFFFAOYSA-N 296.334 1.677 0 50 CDAA CCn1c(C)cc(C)c(C(=O)N[C@@H]2CC[C@@H](N)C2)c1=O 67654603 FTFUNUOLEKECBK-VXGBXAGGSA-N 277.368 1.095 0 50 CDAA Cc1noc([C@H]2CCN(C(=O)c3c[nH]nc3C3CC3)C2)n1 347376731 LIBKGWKQEJSFFJ-JTQLQIEISA-N 287.323 1.608 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)COCC2CC2)C1 348004969 GTONXGPYEDKZLH-GJZGRUSLSA-N 296.411 1.125 0 50 CDAA CNC(=O)C[C@H](C)N(C)Cc1nc2c(s1)CCCC2 65380257 LYSWTOIKNDWKQH-JTQLQIEISA-N 281.425 1.978 0 50 CDAA O=C(NCCCCO)c1cc(COc2ccccc2)[nH]n1 67868778 UZFNIHMJAHFPDS-UHFFFAOYSA-N 289.335 1.491 0 50 CDAA O=c1nc(CO)n(-c2ccccc2)c2ccccc12 71771472 AHLOXKISBCUTAO-UHFFFAOYSA-N 252.273 1.878 0 50 CDAA COCCCn1ccc(=NC(=O)[C@@H]2CCC(F)(F)C2)[nH]1 331087638 DZAPGLHGPJGAEF-SNVBAGLBSA-N 287.310 1.715 0 50 CDAA CCOc1ccc(/C=C/C(=O)N2CCNC[C@@H]2C)cc1 125684098 RRWTYSBNNHQSMV-PPGNKHEKSA-N 274.364 1.919 0 50 CDAA CC[C@H](NC(=O)c1ccnc(NC)c1)c1ccnn1C 65421707 ORPCUYBUUMFCOS-NSHDSACASA-N 273.340 1.738 0 50 CDAA C[C@]12CCCC(=O)N1[C@@H](CO)[C@H](c1ccccc1)O2 519047 HMPLCFQDHIGQMF-QEJZJMRPSA-N 261.321 1.848 0 50 CDAA biogenic CC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]c1=O 1388833 LGCKTUOOWYOVIN-UHFFFAOYSA-N 299.208 1.142 0 50 CDAA Cc1cc(C)nc(NCc2nc3ccccc3c(=O)[nH]2)n1 32523707 JVIPDRVDBIEOOX-UHFFFAOYSA-N 281.319 1.942 0 50 CDAA Cn1nncc1CN1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O 331659050 STJKEUCJUXJLGE-KFWWJZLASA-N 278.400 1.721 0 50 CDAA CN1CC[C@@H](CN[C@@H]2CCOC2)[C@@H]1c1cccnc1 328651001 VSKCMLWQCZDAIW-ZNMIVQPWSA-N 261.369 1.453 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)c1cncc(O)c1 328647668 UDVPACOVQGDETM-LLVKDONJSA-N 286.335 1.318 0 50 CDAA Nc1nc(Cl)c2c(I)c[nH]c2n1 38219569 JITUVDMVAGWHEC-UHFFFAOYSA-N 294.483 1.798 0 50 CDAA Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@@H]3C3CC3)C[C@H]2CO)cn1 329026969 VTXBCETUKQORID-XGUBFFRZSA-N 289.379 1.001 0 50 CDAA O[C@@]1(CN2CCCCC2)CCN(Cc2ccncc2)C1 77503992 JOUJIJHPSIEXJL-MRXNPFEDSA-N 275.396 1.504 0 50 CDAA COc1ccc2c(c1)OCC[C@@H]2N=c1[nH]nc(C)o1 376456007 SSQWRFSSMQLBKE-NSHDSACASA-N 261.281 1.744 0 50 CDAA O=C(c1ccc(-c2ncon2)cc1)N1CC[C@@](O)(C2CC2)C1 366917836 QUSIAEDUNVBHME-INIZCTEOSA-N 299.330 1.724 0 50 CDAA C[C@H](CNc1cncc(Cl)n1)N1CCOC[C@H]1C 239667183 BPGIFHDVKLNJRO-NXEZZACHSA-N 270.764 1.651 0 50 CDAA CCn1ccnc1C(=O)NC[C@H]1CC(=O)Nc2ccccc21 368291239 QWYMPLRBPFZZCD-LLVKDONJSA-N 298.346 1.759 0 50 CDAA Cc1nc(N)nc(C)c1CC(=O)N1CC(c2ccncc2)C1 72174133 SHHJVVNVORVXKI-UHFFFAOYSA-N 297.362 1.239 0 50 CDAA Cn1cncc1CCC(=O)NC[C@H]1OCCc2ccccc21 370476221 HPMYCRYVNFRLBE-MRXNPFEDSA-N 299.374 1.783 0 50 CDAA CCS(=O)(=O)CCn1ccc(NC[C@@H]2CCC=CO2)n1 241124399 JHZAVSCGTLCSAV-LBPRGKRZSA-N 299.396 1.422 0 50 CDAA CNC[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1 237262633 UTZOIQSDYBEWTA-AWEZNQCLSA-N 298.390 1.944 0 50 CDAA CN1CCOC[C@@H](CNc2cnc3ccccc3n2)C1 72137293 ZNHMHLNVXCCECT-LBPRGKRZSA-N 272.352 1.620 0 50 CDAA CC1=C(C(=O)NCc2cc(F)cc(F)c2)[C@@H](C)NC(=O)N1 71279012 BUUGYWWHUVERKG-SSDOTTSWSA-N 295.289 1.556 0 50 CDAA Cc1c(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2C)cnn1C 335883413 FDQSSHKYKVWNAF-ZYHUDNBSSA-N 285.413 1.928 0 50 CDAA Cc1cc(CN2CCN(C)[C@H](c3nc(C)no3)C2)sn1 606445666 ZQBDKZLCASZFMF-LBPRGKRZSA-N 293.396 1.632 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2[nH]ccc2C)C1 285946466 VYIHEWSQFHOENB-ZJUUUORDSA-N 275.312 1.043 0 50 CDAA CN(CC(=O)N(C)C1CCSCC1)Cc1cccnc1 220263320 MYUHAOXJAXOQPF-UHFFFAOYSA-N 293.436 1.867 0 50 CDAA CCCn1cnnc1CNC(=O)CN1CCCCCC1 223918613 JLKXQQMLMLJKEY-UHFFFAOYSA-N 279.388 1.180 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H](O)c1ccccc1 220257403 MHMYXYBAQCAZIS-OAHLLOKOSA-N 287.363 1.809 0 50 CDAA CCCc1cc2c(=O)n(CC(=O)NC)cnc2s1 43016899 PNSMMBMSIFGPOB-UHFFFAOYSA-N 265.338 1.157 0 50 CDAA c1ccc(CN2CCCN(C[C@H]3CCOC3)CC2)nc1 225346771 CUUWAPMNXINYBJ-OAHLLOKOSA-N 275.396 1.626 0 50 CDAA Cc1nonc1OCCNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 426429791 KGOLDMKVZNEXRT-CSPFCNMYSA-N 277.324 1.165 0 50 CDAA CC[C@@H](O)CSc1nnc(CN)n1-c1ccccc1C 426359067 NHKLLZWQNDMPCS-LLVKDONJSA-N 292.408 1.897 0 50 CDAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cccnc1 290766927 BMMWNJLPGPRXQL-TZMCWYRMSA-N 275.352 1.017 0 50 CDAA CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)nc1 291426858 XMWHKMIYTUDXES-CHWSQXEVSA-N 289.379 1.979 0 50 CDAA Cc1ncncc1C(=O)N(C/C=C/c1ccccc1)CCO 97425701 UOJLELFIZDRTEW-VMPITWQZSA-N 297.358 1.933 0 50 CDAA COc1nccnc1N(C)CCc1scnc1C 95371273 XFWSIRSZSTYEME-UHFFFAOYSA-N 264.354 1.929 0 50 CDAA OCc1nc(N2CCSCC2)c2ccccc2n1 95366983 UJBIWMIXSPNCRQ-UHFFFAOYSA-N 261.350 1.675 0 50 CDAA CCn1c(C)nnc1SCCNC(=O)[C@@H]1CCCCO1 97813760 TZPPFDDHXZBLGP-NSHDSACASA-N 298.412 1.384 0 50 CDAA N[C@H]1CN(C(=O)c2cc(-c3ccccn3)[nH]n2)C[C@@H]1C1CC1 91364950 OAEPQEBKGRIBKB-NEPJUHHUSA-N 297.362 1.281 0 50 CDAA COc1ccc(C(=O)N2CC(C)(C)[C@](C)(O)C2)c(OC)n1 91504608 FNFQJDAHESGVDZ-OAHLLOKOSA-N 294.351 1.332 0 50 CDAA COCc1ccc(C(=O)N[C@H](CO)Cc2ccccc2)o1 97805559 CDVZZLKHCFTZFU-ZDUSSCGKSA-N 289.331 1.759 0 50 CDAA COCCC[C@@H]1CCCN(c2cc(C(N)=O)ccn2)C1 96150375 IDJFMABMGQHOGR-LBPRGKRZSA-N 277.368 1.824 0 50 CDAA CCOC(=O)[C@H]1C(=O)N[C@@]2(C)C[C@H]1c1ccccc1O2 239310290 IHQXVDBXZHZRFG-JVLSTEMRSA-N 275.304 1.578 0 50 CDAA COc1c[nH]c(C(=O)N2CCC[C@H](CSC)C2)cc1=O 97638044 RNWNTCOLJSYLOR-JTQLQIEISA-N 296.392 1.599 0 50 CDAA Cc1ccn(CCN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)n1 91829800 KEBCLEIKBLEAQX-QWHCGFSZSA-N 263.341 1.234 0 50 CDAA Cc1ccccc1[C@H](C(=O)N(C)Cc1cc[nH]n1)N(C)C 95383097 XZCCGACKQIORHC-OAHLLOKOSA-N 286.379 1.979 0 50 CDAA CN(C)C(=O)c1cncc(NCc2cccc(CO)c2)n1 342040373 HGWYRDRWDFCEQH-UHFFFAOYSA-N 286.335 1.283 0 50 CDAA Cc1nn(CC(C)C)c(C)c1CC(=O)NC1(C(=O)O)CC1 299744788 PXORLACAJIHWRX-UHFFFAOYSA-N 293.367 1.432 0 50 CDAA Cn1ncc2c(N)nc(NCC[C@H]3CCCOC3)nc21 528075542 YTDHDIZDSWCTGI-SECBINFHSA-N 276.344 1.174 0 50 CDAA CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 255190370 WVOPMTLREPZUBO-HAQNSBGRSA-N 299.415 1.500 0 50 CDAA O=C1N[C@H](C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CS1 257365141 CUYOBERBCRCSCL-ZDCRXTMVSA-N 268.382 1.896 0 50 CDAA CC[C@H](C)[C@H](CO)NC(=O)c1[nH]nc2c1CCC2 252483013 DSLDYSDARFJUFK-KWQFWETISA-N 251.330 1.035 0 50 CDAA CC1=NN(c2ccc(C(=O)N[C@H]3C[C@@H](O)C3)cc2)CC1 298446607 PNNWJPXAEBJPSL-XBXGTLAGSA-N 273.336 1.526 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1cccc(C(=O)O)c1 299745843 SUSSRNCMKXIQNX-LLVKDONJSA-N 263.293 1.428 0 50 CDAA CCN(Cc1noc(C2CC2)n1)C(=O)NC[C@H](C)N(C)C 534632494 LOXUZDKXPMITJR-JTQLQIEISA-N 295.387 1.429 0 50 CDAA N=C(NO)c1ncc(C(F)(F)F)cc1N1CCOCC1 263623812 KXGGHKHJZXQGCG-UHFFFAOYSA-N 290.245 1.241 0 50 CDAA CCSCC(=O)N[C@H](COC)c1ccccn1 534578181 GTVZVWXEEJPNNN-LLVKDONJSA-N 254.355 1.638 0 50 CDAA Cc1cc(N2CC[C@H]3CNC[C@H]32)nc(-c2cccnc2)n1 534637897 ZZPRVSDIFYNXBB-GXTWGEPZSA-N 281.363 1.645 0 50 CDAA CC[C@H](NC(=O)N1CCC2(CCO2)CC1)c1ccnn1C 534585559 USPBVVKBEGSRPM-LBPRGKRZSA-N 292.383 1.836 0 50 CDAA O=C(NCc1cc(-c2cccnc2)no1)[C@@H]1CCCO1 299765208 KKHSQVLCPYSCRJ-ZDUSSCGKSA-N 273.292 1.532 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CC[C@H](OC)C2)cc1C 562470662 KXFXRMJNYSRQTA-LBPRGKRZSA-N 299.392 1.803 0 50 CDAA Cc1n[nH]c(C)c1CN(C)c1cc([C@@H]2CCOC2)ncn1 299789040 YIFJEYLWVWPNMR-GFCCVEGCSA-N 287.367 1.957 0 50 CDAA CSC[C@H](NC(=O)Cc1nc(C)sc1C)C(=O)O 299783537 WRFZGYBABYTTGA-VIFPVBQESA-N 288.394 1.235 0 50 CDAA NCC1(C(F)(F)F)CCN(C(=O)C2CCC2)CC1 725264778 VYWGUJDINLVGLY-UHFFFAOYSA-N 264.291 1.916 0 50 CDAA C[C@H](Cn1cncn1)C(=O)NCc1ccsc1 827628058 NBBBSFMPUIYLGM-SECBINFHSA-N 250.327 1.292 0 50 CDAA Cc1nc(N)nc(NC(C)(C)CN2CCOCC2)c1Cl 827582935 CVUSRRGTQYOQMJ-UHFFFAOYSA-N 299.806 1.543 0 50 CDAA COCCN1CCC[C@H](CNC2CCOCC2)C1 824413118 CYFISLWRHBGWDA-CYBMUJFWSA-N 256.390 1.113 0 50 CDAA CC[C@H](NC(=O)CN1CCN(CC)CC1)c1cccnc1 822662306 JLQIOQWRGILXCA-HNNXBMFYSA-N 290.411 1.286 0 50 CDAA CC1=NO[C@@](C)(C(=O)N2CC(Oc3ccccc3)C2)C1 670446888 ZGPHQBMIJVVJKK-OAHLLOKOSA-N 274.320 1.831 0 50 CDAA Cc1nc(CC(=O)N2CCc3nocc3C2)cs1 670439712 JEYZKJDLGZHIRC-UHFFFAOYSA-N 263.322 1.567 0 50 CDAA Cc1nc(Nc2c(C)nn(C)c2C)c2cnn(C)c2n1 1337555577 TVFDPYDVAAVCIU-UHFFFAOYSA-N 271.328 1.766 0 50 CDAA C[C@H](Cn1cccn1)C(=O)NCCCc1ccco1 952965867 AVGOIPFQAZCXDG-GFCCVEGCSA-N 261.325 1.861 0 50 CDAA Cc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c(=O)[nH]1 165377379 PVTKMDXTOHHXER-NSHDSACASA-N 292.335 1.543 0 50 CDAA Cc1cc(C(=O)NC[C@H](CC2CC2)C(=O)O)cnn1 630201514 OTPWYARFTFSITM-NSHDSACASA-N 263.297 1.016 0 50 CDAA Cc1csc(CN[C@H]2CCO[C@@H]2c2nccn2C)n1 275460509 HBKCLNWLWUCUHK-JQWIXIFHSA-N 278.381 1.805 0 50 CDAA O=C([C@@H]1CCCOC1)N(C[C@@H]1CCCN1)C1CC1 186557116 HSMILXNQRHXVER-NEPJUHHUSA-N 252.358 1.156 0 50 CDAA NC(=O)C1CCC(CNC(=O)[C@H]2C[C@@H]2C2CC2)CC1 170024610 BUTAFBXFENCDNJ-BVIDSFGJSA-N 264.369 1.440 0 50 CDAA COc1nnc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)s1 278587767 KSLTZLOONJPENM-DTWKUNHWSA-N 298.368 1.626 0 50 CDAA Cn1nncc1CNc1cn(Cc2ccccc2)nn1 170618585 UYWXFROKMKEPAH-UHFFFAOYSA-N 269.312 1.067 0 50 CDAA CC(C)OC[C@H]1CN(NC(=O)c2ccccc2)C(=O)O1 170618590 VKYBJYOJKJIPEY-GFCCVEGCSA-N 278.308 1.577 0 50 CDAA Cc1nc([C@@H]2CCCCN2Cc2cccc(C(N)=O)c2)n[nH]1 408473336 QWVFNKURRDDRSV-AWEZNQCLSA-N 299.378 1.939 0 50 CDAA C[C@H](C(=O)N1CCC[C@@H](O)[C@@H]1C)c1ncccc1F 408472410 ZVUGLBLKQBAQTD-JBLDHEPKSA-N 266.316 1.696 0 50 CDAA C[C@@H]1CCN(CC(=O)N[C@H]2CCOC(C)(C)C2)C1 408517997 RJLUFBWQISIMIP-NEPJUHHUSA-N 254.374 1.402 0 50 CDAA CC(C)C(=N)NO[C@H](C(=O)NCc1cccnc1)C(C)C 408524943 BVLUKLCMUYMEKA-ZDUSSCGKSA-N 292.383 1.877 0 50 CDAA COCCN(C)S(=O)(=O)c1cc(C(=O)O)sc1C 109419685 BNZIRAGENUYOQE-UHFFFAOYSA-N 293.366 1.022 0 50 CDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1cncn1C 187176180 LWRZQOSJKYDXQR-ZDUSSCGKSA-N 298.390 1.830 0 50 CDAA C[C@@H]1CN(C(=O)N[C@@H]2CCCn3nccc32)C[C@@H]1N(C)C 637765235 VVIOPVGXBXKGEI-BZPMIXESSA-N 291.399 1.310 0 50 CDAA C[C@H](NC[C@@]1(O)CCC[C@H]1C)C(C)(C)n1cncn1 639210010 GJIPXWOIGKXIKM-DYEKYZERSA-N 266.389 1.542 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccoc2)cn1 190004073 SOCCPGNXDIQAAL-NWDGAFQWSA-N 261.281 1.273 0 50 CDAA NC(=O)C1(N[C@H]2CCC[C@H](c3cccnc3)C2)CC1 562742286 CBRSPUSZCZNIMZ-AAEUAGOBSA-N 259.353 1.715 0 50 CDAA CC1(C)CN(C(=O)[C@@]2(O)CCOC2)[C@@H]1c1ccncc1 563815232 VMPYXGWBVBCMPO-IUODEOHRSA-N 276.336 1.143 0 50 CDAA COCC[C@@H]1CCC[C@@H]1NCc1ncc2c(n1)CCOC2 652235956 YUYVLJWMZBUUFT-JSGCOSHPSA-N 291.395 1.844 0 50 CDAA CC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccccc2)C1 652390015 VWESDJIPHSOQIS-UONOGXRCSA-N 276.336 1.413 0 50 CDAA C[C@@H]1OCC[C@H]1NC(=O)NCCc1ccc2c(c1)CCO2 195547140 HTBUENUUJIOIOW-SMDDNHRTSA-N 290.363 1.641 0 50 CDAA Cc1nocc1CNS(=O)(=O)c1cccc2c1OCC2 583652040 XIMMFFJMGAFJBD-UHFFFAOYSA-N 294.332 1.396 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@H]1C(F)(F)F 585125859 HOEACXRYPKHJEE-NGZCFLSTSA-N 297.273 1.318 0 50 CDAA CCC1(CC)[C@@H](NC(=O)c2csc(CO)n2)C[C@@H]1OC 585135386 GORJPBZGLRZDSL-QWRGUYRKSA-N 298.408 1.959 0 50 CDAA Cc1noc(C(=O)NCc2cc(-c3ccccc3)on2)n1 684192269 QUJZTKIJHCCILC-UHFFFAOYSA-N 284.275 1.963 0 50 CDAA CC(C)Cn1ccnc(N2CC[C@](O)(C(F)F)C2)c1=O 1615044349 AFBPPOPKYWZPEH-CYBMUJFWSA-N 287.310 1.106 0 50 CDAA Cc1cc(C[C@H]2CN(c3ccccn3)C[C@@H]2O)on1 1615965444 YITWGHFTHDFKND-AAEUAGOBSA-N 259.309 1.418 0 50 CDAA C[C@@H](Cn1nnnc1N1CCCC1)Oc1ccccc1F 1616036764 XBRDUMOGKDKBTP-NSHDSACASA-N 291.330 1.880 0 50 CDAA O=C(N[C@H](CO)c1ccccn1)c1ccc2cnccc2n1 1628454449 XFMVOSDMIZKXBU-OAHLLOKOSA-N 294.314 1.488 0 50 CDAA Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)no1 101782362 VWKLZYXQRUKODN-XPXLGCRWSA-N 276.292 1.835 0 50 CDAA COCCN1CCN(C[C@H]2CCCCO2)C[C@H]1C 247101655 IFPSMSFNHFHRTL-ZIAGYGMSSA-N 256.390 1.208 0 50 CDAA CC1(C)C[C@H](O)CCN(c2cc(C(N)=O)ccn2)C1 1506419812 KCPNIMILOJWSJI-LLVKDONJSA-N 263.341 1.168 0 50 CDAA CCC(CC)(CO)CN(C)C(=O)c1ccc(C)nc1O 1506399932 GBNSJRPFCIIMJI-UHFFFAOYSA-N 280.368 1.966 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)c1cccc(O)n1 1506407966 AFOAZGUUPRMLAP-UHFFFAOYSA-N 277.368 1.734 0 50 CDAA Cc1nn(C)cc1NC(=O)C[C@@H]1CCCCN1C 1529100113 NPTKTGGHHFGJJS-NSHDSACASA-N 250.346 1.541 0 50 CDAA Cn1ccnc1NC(=O)[C@H]1CCCN(C(=O)C2CCC2)C1 1529198490 BCHKYTJFLCEIRM-LBPRGKRZSA-N 290.367 1.397 0 50 CDAA O=C(Cn1cccn1)N[C@H]1CCCCCC[C@@H]1O 1857676150 CXPCZCLBHFNMKP-RYUDHWBXSA-N 251.330 1.083 0 50 CDAA Cc1cnc(N2CCC[C@@](C)(C(=O)O)C2)nc1N(C)C 1704312738 XZZKMUQADLJNRZ-CQSZACIVSA-N 278.356 1.542 0 50 CDAA CCc1cc(NCc2nonc2C)nc(N2CCCC2)n1 1704335635 CPMPCRGUHMWZOJ-UHFFFAOYSA-N 288.355 1.943 0 50 CDAA CC[C@@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C 230570840 RGMWNSRIFDGQIH-SSDOTTSWSA-N 251.304 1.277 0 50 CDAA in-vitro CC[C@H](C)[C@@H](C)C(=O)N1CCN([C@H](C)CC(=O)O)CC1 630222460 FHRARWUTDKKEQE-YNEHKIRRSA-N 284.400 1.676 0 50 CDAA C[C@@H](C(=O)NCC(=O)O)c1ccc(Br)s1 123552546 CWDWBYFFSJGVMI-RXMQYKEDSA-N 292.154 1.815 0 50 CDAA CCn1cc(S(=O)(=O)N(C)c2cccnc2)nc1C 330589924 WXFJJFSDLHZPMN-UHFFFAOYSA-N 280.353 1.432 0 50 CDAA CC(C)(N)c1nnc(N2CCN(C3CCCCC3)CC2)o1 1772702822 DOKYXHXDJUPYSV-UHFFFAOYSA-N 293.415 1.718 0 50 CDAA O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCn1ccnc1 12360635 FLQLGLDWTSRBJO-TXEJJXNPSA-N 261.325 1.448 0 50 CDAA COc1ccc(NC(=O)[C@H](C)Cn2cncn2)cc1 12383651 RRFWAYUGMVUEBN-SNVBAGLBSA-N 260.297 1.562 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2cccs2)C[C@@H](C)O1 12418066 FNFUHIIRUAOWNA-DTORHVGOSA-N 261.368 1.546 0 50 CDAA CCOc1cc(CN2CCN(C)CC2)ccc1O 19809180 DOMHNSQZXFIHQE-UHFFFAOYSA-N 250.342 1.538 0 50 CDAA CC1=NS(=O)(=O)N(CCc2ccccc2)C=C1C(=O)O 169758969 OCGHIDASSDPYRH-UHFFFAOYSA-N 294.332 1.219 0 50 CDAA CC(C)[C@](C)(O)CNC(=O)c1cn(C)nc1-c1ccoc1 225721414 WNFYRJLKZYIVNR-OAHLLOKOSA-N 291.351 1.817 0 50 CDAA O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1 2943234 QMUQGQNFJWJNEB-LLVKDONJSA-N 266.272 1.059 0 50 CDAA O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccncc1 229024571 LSARYZMCOBBKMY-UTUOFQBUSA-N 260.293 1.407 0 50 CDAA CCN1CCN(C(=O)[C@H](C)CSC)C[C@@H]1c1ncc[nH]1 328632150 RQRIVUNTUNOGCY-VXGBXAGGSA-N 296.440 1.614 0 50 CDAA CCn1ccnc(N(C)C[C@@H]2CCc3nccn3C2)c1=O 328631624 RCWGGIKSRJLADH-LBPRGKRZSA-N 287.367 1.159 0 50 CDAA Cc1ccccc1-n1cc(C(=O)N2CC[C@@H](N)C2)cn1 237731753 XLXZEFLQFLYXQT-CYBMUJFWSA-N 270.336 1.354 0 50 CDAA CCN1CN(C(=O)Cc2c[nH]c3ccccc23)CC1=O 241132717 JLDRWTRDECCJON-UHFFFAOYSA-N 271.320 1.359 0 50 CDAA CCOC(=O)CN(C(=O)c1cccn(C)c1=O)C(C)(C)C 252494426 NVEGMDQRPVWSFQ-UHFFFAOYSA-N 294.351 1.189 0 50 CDAA COC(=O)[C@@H](F)CN1CCC(Oc2ccc(C)cn2)CC1 252502118 UMTABSJCSFPFPO-ZDUSSCGKSA-N 296.342 1.744 0 50 CDAA CC(=O)Nc1cccc(N2C[C@H](C(=O)O)CC2=O)c1 19483363 OVXNWCDBBHPXID-SECBINFHSA-N 262.265 1.083 0 50 CDAA in-vitro CCc1nc(=NC(=O)c2cc(-c3ccccc3)no2)o[nH]1 356605434 YFKOMCGBTGHRKP-UHFFFAOYSA-N 284.275 1.961 0 50 CDAA CNc1ccc(C)cc1CNC[C@H]1CCCS(=O)(=O)C1 902561153 RPBCTTVAMHIPQK-CYBMUJFWSA-N 296.436 1.951 0 50 CDAA Cc1cccc(F)c1S(=O)(=O)NCCc1cnoc1 907384406 OIBMGCUNJVPXLW-UHFFFAOYSA-N 284.312 1.643 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)C2Cc3ccccc3C2)C1 910220037 HQJLZPABKZZNAK-INIZCTEOSA-N 289.331 1.104 0 50 CDAA CCc1csc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)N(C)C)n1 910742343 PISXTXKRFOYQRT-GDPRMGEGSA-N 295.408 1.607 0 50 CDAA N[C@@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)n2)C1 911624877 TVVOADWNVCKBTE-SECBINFHSA-N 287.285 1.593 0 50 CDAA Cc1nnc(CCNC(=O)[C@@]2(C)CCCCO2)s1 936024849 SSOFWOYYDNNDSH-GFCCVEGCSA-N 269.370 1.464 0 50 CDAA OCCNC1CCN(c2cc(-c3ccccc3)ncn2)CC1 872494805 HLHHZBPDZGHZIY-UHFFFAOYSA-N 298.390 1.694 0 50 CDAA Cn1cnc(CCNc2cnccn2)c1Br 952992231 BROBHWRNKNTFQL-UHFFFAOYSA-N 282.145 1.627 0 50 CDAA CC(C)(C)OC(=O)NCCN[C@@H]1C[C@@H]2COC[C@@H]21 952993328 GHCUJBYPENZDMX-OUAUKWLOSA-N 256.346 1.136 0 50 CDAA COc1cnc(N(C)C(=O)c2cc(C)nc(C)c2)nc1 1875276154 WZDUIBZTWNNHHF-UHFFFAOYSA-N 272.308 1.774 0 50 CDAA COc1ccc(C(=O)N[C@@H]2C[C@H]3CN[C@@H]2C3)cc1F 1875276711 SCJAZRNURWNGDR-XXILOJSOSA-N 264.300 1.315 0 50 CDAA CC1([C@@H]2NC(=O)[C@H](c3ccsc3)NC2=O)CC1 1875278832 KVXCFDSXHLSBNU-DTWKUNHWSA-N 250.323 1.204 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCc2nn[nH]c21 1875258604 ZQBDVAWJUPDNFT-DCAQKATOSA-N 260.341 1.910 0 50 CDAA Clc1nc2[nH]ccc2c(=NCC2(n3ccnn3)CC2)[nH]1 1875299288 GSTSQTJHZBPRRG-UHFFFAOYSA-N 289.730 1.226 0 50 CDAA CC(C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19850955 JJVQKDIULZXCGD-UHFFFAOYSA-N 262.353 1.941 0 50 CDAA C[C@@H]1CN(C)C[C@H](c2nnc(-c3cnn4ccccc34)o2)O1 888078904 IHHIGAGXTAIPAH-ZWNOBZJWSA-N 299.334 1.776 0 50 CDAA CS(=O)(=O)Nc1ccccc1[S@@](=O)C(F)(F)F 1775999695 UTARKKNPCAJEGP-MRXNPFEDSA-N 287.284 1.686 0 50 CDAA O=C1NCc2ccc(C(=O)NCCc3cnc[nH]3)cc2N1 1776003350 KNAOQBCGFXWEKP-UHFFFAOYSA-N 285.307 1.017 0 50 CDAA Cc1cc(C)cc(OC[C@@H](O)Cn2cc(C)nn2)c1 899901757 VTTBDFIXOUXTFK-ZDUSSCGKSA-N 261.325 1.643 0 50 CDAA COC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1c(C)noc1C)C2 1073298710 YBKCRAGIVCBTBY-OLZOCXBDSA-N 293.367 1.954 0 50 CDAA OCCNC1CCN(c2nccc(C(F)(F)F)n2)CC1 270569380 OCFADBPNVDSOBX-UHFFFAOYSA-N 290.289 1.046 0 50 CDAA C[C@@H]1CCCN(C(=O)CC[C@@H]2CCOC2)[C@@H]1CN 156813949 ODOCEXYEGKZSBT-JHJVBQTASA-N 254.374 1.389 0 50 CDAA O=C(O)CC[C@@H]1CCCN(C(=O)c2ccncc2O)C1 162791481 BGOHHQSCSHXVDU-JTQLQIEISA-N 278.308 1.504 0 50 CDAA Cn1cc(CCCN[C@H]2CCCC[C@@H]2S(C)(=O)=O)cn1 182767978 WLNSXVGBLRFKGU-KBPBESRZSA-N 299.440 1.298 0 50 CDAA COc1cccc(C(=O)N2CC[C@H]3NCCC[C@@H]3C2)c1 299796624 PASSCLKLOOOUSI-UKRRQHHQSA-N 274.364 1.909 0 50 CDAA CN(C)CC[C@@H]1CCCCN1Cc1cncn1C 72163576 CCPWOIJBJCFJQB-ZDUSSCGKSA-N 250.390 1.726 0 50 CDAA O=C(NCCc1cn[nH]c1)c1cncc(Cl)c1 307972399 KTEJKVMWLKXFHQ-UHFFFAOYSA-N 250.689 1.431 0 50 CDAA CC1(C(=O)O)CCN(C(=O)[C@]2(C)CCCCO2)CC1 426627881 YULGSHSGUAOQCA-AWEZNQCLSA-N 269.341 1.659 0 50 CDAA Cc1nc(CN2C[C@H](CC(C)C)CC2=O)n(C)n1 95503649 HFYNXRMDZSOBNU-LLVKDONJSA-N 250.346 1.518 0 50 CDAA CC(C)(CN1CCCCC1)NC(=O)c1c[nH]c(=N)s1 584899176 JGBWXZWTPXRXCR-UHFFFAOYSA-N 282.413 1.550 0 50 CDAA Cc1ncn(C)c1C(=O)N1CCC[C@H](CCCO)C1 584896377 QYPWXFSHUMSEPB-GFCCVEGCSA-N 265.357 1.353 0 50 CDAA CC1=C(C(=O)N(C)C)[C@H](c2ccccc2F)NC(=O)N1 107410 LLOHAHBTVZYJJJ-LBPRGKRZSA-N 277.299 1.542 0 50 CDAA C[C@H]1CN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C[C@@H](C)O1 12417987 BTWQJIUSPOOTMM-MBNYWOFBSA-N 288.347 1.428 0 50 CDAA O=S(=O)(NCCc1ccncc1)c1ccc(F)cc1 56386 JBJDEHVHLITWOB-UHFFFAOYSA-N 280.324 1.742 0 50 CDAA Cc1cc(-c2ccc(F)cc2)nc2cc(C(N)=O)nn12 1517083 SYUGUZAQRKHQMF-UHFFFAOYSA-N 270.267 1.943 0 50 CDAA COC(=O)c1ccc(CN2C(=O)C(=O)c3ccccc32)o1 2285355 DNPNYOORKRCHCO-UHFFFAOYSA-N 285.255 1.796 0 50 CDAA Cn1cnc2nc(N3CCO[C@H](c4ccccn4)C3)ncc21 2356136991 DUAWTKGNAYTDCL-ZDUSSCGKSA-N 296.334 1.336 0 50 CDAA CN(C)CCP(=O)(CCN(C)C)c1ccccc1 3105894 HEMMLODBBQAMSB-UHFFFAOYSA-N 268.341 1.798 0 50 CDAA Cc1ccc(OCCNCCO)c(Br)c1 3461574 YPBSXCYQZYVGPY-UHFFFAOYSA-N 274.158 1.718 0 50 CDAA C1CN(c2noc(C3CC3)n2)CCn2nc(C3CC3)nc21 2356164209 JQKNPUTYGBCKDD-UHFFFAOYSA-N 286.339 1.479 0 50 CDAA O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC1CC1 4968215 ARRXFFDXHLVZDT-UHFFFAOYSA-N 287.294 1.328 0 50 CDAA NC(=O)[C@]1(O)CCCN(Cc2cccc(Cl)c2)C1 225476729 KKPZNSXZPGZYLO-ZDUSSCGKSA-N 268.744 1.152 0 50 CDAA CCn1cnnc1C1CCN(C(=O)[C@H]2CCCNC2)CC1 343850959 CTQRSAFWUXFOCP-ZDUSSCGKSA-N 291.399 1.004 0 50 CDAA CN[C@@H](C)C(=O)Nc1cc(Cl)ccc1N(C)C 54074072 WHKLQEHLLRVTPC-QMMMGPOBSA-N 255.749 1.952 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)COC1CCC(C)CC1 344810627 GTHPHGWBBAXQCC-OOJKYFRXSA-N 299.411 1.844 0 50 CDAA Cn1cc(CC(=O)NC(C)(C)c2nccs2)cn1 116137556 NXXFFIPEAIUEDO-UHFFFAOYSA-N 264.354 1.471 0 50 CDAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H]1C[C@H](C)OC1=O 247967114 XLBQDBDOUQELLP-AHLTXXRQSA-N 280.368 1.166 0 50 CDAA OCC(CO)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 67691667 QMIJRFVPDUGVLR-NSHDSACASA-N 275.352 1.096 0 50 CDAA CC(=O)NCC[C@@H]1CN(Cc2ccn(C(C)C)c2)CCO1 67641790 AISNOMOODSEYKC-MRXNPFEDSA-N 293.411 1.796 0 50 CDAA Cc1cnccc1NCCNC(=O)CN1CCCC[C@H]1C 20255292 KITJBJWMFSVESH-CQSZACIVSA-N 290.411 1.793 0 50 CDAA CCC1(C(=O)N2CC(OC(F)F)C2)CCOCC1 437591498 PKYCBZKIKTZPKS-UHFFFAOYSA-N 263.284 1.643 0 50 CDAA Cc1cc(Cl)ccc1C(=O)NC[C@@](C)(O)C(=O)O 235759165 FPWKRSXRQHHJCE-GFCCVEGCSA-N 271.700 1.214 0 50 CDAA Cc1noc(CN(C)C(=O)[C@@H](C)n2ccnc2C(C)C)n1 67934433 GMVYFFAELKYQQL-SNVBAGLBSA-N 291.355 1.918 0 50 CDAA CN(Cc1ccccc1)C[C@H]1CCCN(CCO)C1 65460517 XOQZAUJMTLVLIL-MRXNPFEDSA-N 262.397 1.823 0 50 CDAA CC[C@@H](C)OCC(=O)N1CCO[C@@H](c2noc(C)n2)C1 330776420 ZPXQWAKJNOEKOG-MWLCHTKSSA-N 283.328 1.093 0 50 CDAA COc1cc(N2CCC[C@H](Cn3ccnc3)C2)ncn1 65531481 CGHJTSIMLUJRKG-GFCCVEGCSA-N 273.340 1.598 0 50 CDAA CCOC(=O)c1ccc(S(C)(=O)=O)c(C)c1O 40457 WDYHPVKGLKNXEX-UHFFFAOYSA-N 258.295 1.281 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 89688 GXPIUNZCALHVBA-UHFFFAOYSA-N 295.320 1.742 0 50 CDAA biogenic,world Cc1oc(C)c(C(=O)NCCn2cnc(C(=O)O)c2)c1C 231629092 LIXOWTAZUXERHZ-UHFFFAOYSA-N 291.307 1.530 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)[C@H]2CCCC(O)=N2)C1 328803486 MRNRDGHXLJVQCX-VXGBXAGGSA-N 267.373 1.438 0 50 CDAA Cc1nnnn1CC(=O)N1c2ccccc2CC[C@H]1C 123418744 GPJAVWSKFDBXPL-SNVBAGLBSA-N 271.324 1.349 0 50 CDAA OC[C@H]1CCCCN1CCNc1ccc2cc[nH]c2n1 72430779 YNEMGRGMQANMLI-CYBMUJFWSA-N 274.368 1.822 0 50 CDAA CC1(C)CN(C(=O)c2cnc(O)c3ccccc23)CCN1 253536899 NEMOZLFOWBIEHV-UHFFFAOYSA-N 285.347 1.764 0 50 CDAA C[C@@H](C(=O)N[C@@H]1CN(c2ccccc2)C1=O)C1CC1 360852812 QROYLYFJGVGLDH-ZWNOBZJWSA-N 258.321 1.564 0 50 CDAA COC[C@H](O)CN1CCC(n2cc(Cl)cn2)CC1 367854310 PRHNBEJCYHYTOL-GFCCVEGCSA-N 273.764 1.181 0 50 CDAA COCCN(Cc1ccccc1F)S(=O)(=O)N(C)C 240871410 IKJLAOVFQZYFQZ-UHFFFAOYSA-N 290.360 1.081 0 50 CDAA C[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3cnn[nH]3)c2)O1 333138919 YIJYFOHTZKYJKX-ZANVPECISA-N 272.308 1.978 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)N2CCSCC2)n[nH]1 124877141 LGJLEYGMDJRZFV-VIFPVBQESA-N 268.386 1.408 0 50 CDAA COc1cc(CNC(=O)C2CCC2)ccc1C(=O)O 237335663 CTEGTQVUIJKQFW-UHFFFAOYSA-N 263.293 1.810 0 50 CDAA C[C@H](CNC(=O)OC(C)(C)C)N(C)CCn1cncn1 242292583 YNLNNMQHZBOXHK-LLVKDONJSA-N 283.376 1.123 0 50 CDAA CN(C)c1noc([C@@H]2CCCN2C(=O)C2CCCC2)n1 242324312 YZZHPDNEQVCNQT-NSHDSACASA-N 278.356 1.989 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ns1 373884530 WMDGBEGIPNVYFM-NGZCFLSTSA-N 279.365 1.178 0 50 CDAA CN1CCN(c2cc(O)ccc2Br)CC1 218753773 GBVJNMFYHQMFLJ-UHFFFAOYSA-N 271.158 1.907 0 50 CDAA Cc1cccc(N(CCC(N)=O)C(=O)CNCC2CC2)c1 262600652 CBYXEVSZMQHXDO-UHFFFAOYSA-N 289.379 1.203 0 50 CDAA Cc1c(Cl)cccc1OCC(=O)N1CCC(N)CC1 335893555 FEAOZVRVAVSJJC-UHFFFAOYSA-N 282.771 1.977 0 50 CDAA O=C(O)CN(CCc1ccccc1)C(=O)[C@@H]1CCCCO1 178485996 XSHOEJXCQMFPJU-AWEZNQCLSA-N 291.347 1.711 0 50 CDAA C[C@H](c1ccncn1)N(C)C(=O)Cc1cccnc1 223170056 OGOZBZQXQTUUFQ-LLVKDONJSA-N 256.309 1.634 0 50 CDAA Cn1nc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1-c1ccccc1 223677368 LCIJKNRQUCEHDM-WWGRRREGSA-N 297.358 1.994 0 50 CDAA O=C(Cc1cscn1)N1CCOC[C@H]1C1CCC1 616480232 ZBXMHWHKXGHRNU-LBPRGKRZSA-N 266.366 1.713 0 50 CDAA O=c1[nH]c(N2CCCC2)nc2c1Cc1ccccc1OC2 95510171 YBOSDGYCEUBQGX-UHFFFAOYSA-N 283.331 1.853 0 50 CDAA Cn1cc(Cl)c(-c2nc([C@@H]3CCOC3)no2)n1 96131720 ZWTLHFYOWBZBKL-ZCFIWIBFSA-N 254.677 1.627 0 50 CDAA COCCn1cnnc1CCNc1nc(C)nc(C)c1C 91829712 YTDMUZGKFFIDPQ-UHFFFAOYSA-N 290.371 1.294 0 50 CDAA Cc1ccn2nc(C(=O)N(CC(=O)O)CC(C)C)cc2c1 426545425 XTJJBSWUCOPRML-UHFFFAOYSA-N 289.335 1.826 0 50 CDAA COc1ccc2c(C)c(C(=O)N3CC[C@H](O)C3)oc2c1 97288779 NOZUHTDRPZYEQO-JTQLQIEISA-N 275.304 1.957 0 50 CDAA Cc1cc(C(=O)N[C@H](CC(=O)O)c2cccs2)no1 237770556 ZRVLTTVGXIWIFN-MRVPVSSYSA-N 280.305 1.990 0 50 CDAA CSCC[C@H](CO)NC(=O)c1cc(CC(C)C)nn1C 230210944 NSXNXKVDNYSCGH-LLVKDONJSA-N 299.440 1.462 0 50 CDAA CCC[C@@H](NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C(=O)O 180188791 QQCACUVSZBYSMF-SECBINFHSA-N 291.307 1.961 0 50 CDAA COc1ccc(Cn2cc([C@@H](C(=O)O)N(C)C)cn2)cc1 95513265 ZRGIWAXEEWJKGM-AWEZNQCLSA-N 289.335 1.627 0 50 CDAA O=C(NCc1cccc(F)c1)c1ccc2nnnn2c1 97522334 XLIQNHXZRIOQKH-UHFFFAOYSA-N 271.255 1.193 0 50 CDAA C[C@H]1CN(C[C@@H](O)c2ccc(F)cc2)C[C@@H](C)O1 180310331 IZPDCVGDHMEFNB-UHIISALHSA-N 253.317 1.968 0 50 CDAA Cc1ccc(-c2noc(Cn3c(C)cc(C)nc3=O)n2)nn1 95497808 UYUJAWJQVUIMRX-UHFFFAOYSA-N 298.306 1.057 0 50 CDAA CCCc1cc(C(=O)N[C@H](C(=O)O)C(C)C)[nH]n1 95390474 OGKHWKIOJFQZFK-JTQLQIEISA-N 253.302 1.201 0 50 CDAA CSCC(=O)N1CCC[C@](CO)(CC2CC2)C1 91551798 XSKFCOZSEGCZCM-ZDUSSCGKSA-N 257.399 1.751 0 50 CDAA OCCn1cc(-c2ccc(-c3ccn[nH]3)cc2)cn1 96164740 VSIUEHMMNHMBLD-UHFFFAOYSA-N 254.293 1.933 0 50 CDAA Cc1ccc(N2C[C@@H](C)N(Cc3ncc[nH]3)CC2=O)cc1 91619881 MNWWECDDAXDSFA-CYBMUJFWSA-N 284.363 1.955 0 50 CDAA COCC[C@]1(CO)CCCN(c2nc(C)cc(C)n2)C1 91626224 HPPKPMFVXBSDQG-OAHLLOKOSA-N 279.384 1.709 0 50 CDAA Cc1cc(C)c(S(=O)(=O)n2cncn2)cc1C 252497007 PXIZIWNDLOXLKG-UHFFFAOYSA-N 251.311 1.440 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)c2cccc(-n3cccn3)c2)C1 299740480 BAHDIAMZTDPELM-INIZCTEOSA-N 299.330 1.809 0 50 CDAA CCn1cc(C(=O)N(C)[C@@H]2CCNC2)c(C(C)C)n1 299738740 FTBNOEQMAHFJND-LLVKDONJSA-N 264.373 1.460 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NCCOC1CCCCCC1 299747689 DRGVBCUJOQLLQL-RYUDHWBXSA-N 269.341 1.563 0 50 CDAA CNCC(=O)N1CCC[C@@H](CN2CCCC[C@H]2C)C1 299739501 PKDZGVWNVDQEIN-KGLIPLIRSA-N 267.417 1.319 0 50 CDAA CC(C)[C@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1 252492328 MJANRRNTRCPJSN-NSHDSACASA-N 263.297 1.416 0 50 CDAA CCc1ocnc1C(=O)Nc1cccc(-n2nnnc2C)c1 351656718 VVHPDHRFUKERLS-UHFFFAOYSA-N 298.306 1.773 0 50 CDAA C[C@@H](NC(=O)N1CCOC2(CCCC2)C1)c1nncn1C 366270139 NWVIJLBCKBHZAA-LLVKDONJSA-N 293.371 1.231 0 50 CDAA CC(C)n1cnnc1CCNC(=O)c1ccc(F)c(O)c1 299768612 YLIJRWXKQCXTNI-UHFFFAOYSA-N 292.314 1.676 0 50 CDAA Cc1nnc(CN2CCC(c3cc[nH]n3)CC2)s1 299796562 RCKWQVDYAWQZTI-UHFFFAOYSA-N 263.370 1.949 0 50 CDAA COc1ncc(CN2CCN(C3CCCC3)C(=O)C2)cn1 824851732 AKHJPYOMBGOQMY-UHFFFAOYSA-N 290.367 1.072 0 50 CDAA O=C(C1CC=CC1)N1CCN(C2CCCCC2)C(=O)C1 584898118 ZEZZTXBPZCONQC-UHFFFAOYSA-N 276.380 1.956 0 50 CDAA COC(=O)c1cc(Br)cc2c1OCCNC2 953034204 FUEBPCNPHJDVCV-UHFFFAOYSA-N 286.125 1.718 0 50 CDAA CCC[C@H]1C[C@H]1C(=O)N1CCN(CCCCOC)CC1 584889464 BRAAJBCEXDJABJ-LSDHHAIUSA-N 282.428 1.993 0 50 CDAA CN=c1[nH]c(C(=O)N[C@@H](C)c2c(C)n[nH]c2C)cs1 584895794 QJHMLJQWCAIGSR-LURJTMIESA-N 279.369 1.438 0 50 CDAA Cc1c[nH]c(=NCC[C@@H]2CCCOC2)nc1N(C)C 584891059 QGDFVRDKFQABQU-LBPRGKRZSA-N 264.373 1.502 0 50 CDAA Cc1nn(CCNC(=O)c2c[nH]c(=N)s2)c(C)c1C 584889279 LTWLMWXDVLBQNC-UHFFFAOYSA-N 279.369 1.107 0 50 CDAA COc1ccc(C)cc1C(=O)NC[C@](C)(O)CCCO 670450759 MQPAUZXPPUSKGF-OAHLLOKOSA-N 281.352 1.257 0 50 CDAA COc1ccc2[nH]c(CNC(=O)[C@@H]3C=CCN3)cc2c1 670446555 MOXCYKWNAJXPRQ-AWEZNQCLSA-N 271.320 1.321 0 50 CDAA CC(C)[C@@H](CO)NC(=O)[C@H]1CC[C@@H]2C[C@@H](C)CN2C1 1356498613 QJNIUTWWMZPPHH-XJFOESAGSA-N 268.401 1.240 0 50 CDAA CO[C@H](C)C(=O)N1CCC(CNC(=O)c2ccoc2)CC1 948853246 SRXAEDVEKRFVPJ-LLVKDONJSA-N 294.351 1.283 0 50 CDAA COC1CCC(NC(=O)N2C[C@@H]3CC[C@]3(N)C2)CC1 1553489219 KNPDREXINJLNRQ-BBCYWQGDSA-N 267.373 1.077 0 50 CDAA COC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C(=O)OC(C)(C)C 72194146 VPZOZPSOJLQFGC-BDAKNGLRSA-N 287.312 1.260 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CC(O)([C@H](N)C2CCCCC2)C1 958528896 YDLJQAIWESJSCG-GFCCVEGCSA-N 284.400 1.876 0 50 CDAA CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](CO)C1 91303712 KAKGPQPJSNUNBV-SNVBAGLBSA-N 267.329 1.242 0 50 CDAA in-vitro COc1ccc(-c2cn3c(=O)c(C)nc-3c[nH]2)cc1 100029128 NQQVXADOIMWVFD-UHFFFAOYSA-N 255.277 1.982 0 50 CDAA in-vitro C[C@H]1CCC[C@H](C)N1CCNCc1cc(C(=O)O)nn1C 635306731 XIQUCRRHYZMBAZ-RYUDHWBXSA-N 294.399 1.471 0 50 CDAA O[C@@H](Cn1cc(-c2ccccc2F)nn1)CC1(O)CCC1 641234463 ZBRBYQYVPZUZJB-LLVKDONJSA-N 291.326 1.750 0 50 CDAA COCC1(S(=O)(=O)Nc2ccccc2F)CC1 641678989 ZMWOWGVVGLRMHG-UHFFFAOYSA-N 259.302 1.746 0 50 CDAA NC[C@H](C(=O)N1CC(OCC(F)F)C1)c1ccccc1 707215326 JSODIVCYZBPTGY-LBPRGKRZSA-N 284.306 1.221 0 50 CDAA CC[C@@]1(C)CN(C(=O)N[C@H]2CCCOCC2)CCO1 190810381 PIAHRZXZACJTMB-JSGCOSHPSA-N 270.373 1.766 0 50 CDAA CC(C)c1ccccc1S(=O)(=O)N1CCC[C@@H]1CN 193296767 XWMJXENGMAIQNI-GFCCVEGCSA-N 282.409 1.922 0 50 CDAA CCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)cn1 653331455 RGIPGXMNOOXUBE-KGLIPLIRSA-N 299.330 1.946 0 50 CDAA COc1nc(C)cc(=N[C@@H]2CC(=O)N(C(C)(C)C)C2)[nH]1 583412076 PCAXWFUVSSZGEN-SNVBAGLBSA-N 278.356 1.027 0 50 CDAA CCOC(=O)c1ccc(NS(=O)(=O)C2CCC2)c(O)c1 585086376 OGTURCMRXAQKEP-UHFFFAOYSA-N 299.348 1.863 0 50 CDAA Cc1cc2ncc(C(=O)N(C)Cc3c[nH]nc3C)c(C)n2n1 585089308 DDPIOVFRSMFUKQ-UHFFFAOYSA-N 298.350 1.650 0 50 CDAA Cc1cc(C(=O)N[C@H](C)c2cc(O)n[nH]2)ns1 585131450 WNKRCYYQKGICOA-ZCFIWIBFSA-N 252.299 1.371 0 50 CDAA C1CCc2oc(CN[C@@]34CCC[C@H]3NCC4)nc2C1 1615057088 DQTRPVHBNWJDCF-UKRRQHHQSA-N 261.369 1.928 0 50 CDAA c1cncc([C@H]2CCCN2CC2COCCOC2)c1 1857688253 ZGLOEXPADOERFU-OAHLLOKOSA-N 262.353 1.882 0 50 CDAA CC(C)Oc1cc(N[C@@H]2CCC[C@H]2N(C)C)nc(N)n1 1506408528 ZBPAFAHISONWMU-GHMZBOCLSA-N 279.388 1.741 0 50 CDAA CS(=O)(=O)N1CCCC[C@H]1CCNc1cnccn1 1506429420 UJIHACTWUCKZQM-NSHDSACASA-N 284.385 1.093 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)Cc2cccnc2)s1 1506417899 CIPMPZIMHXIBDE-MRVPVSSYSA-N 278.337 1.822 0 50 CDAA CCCc1nc(C)c(CN2C(=O)C[C@H]3NCC[C@H]32)s1 1800411948 QRTMLEJRWJWRAM-GHMZBOCLSA-N 279.409 1.867 0 50 CDAA Nc1ccc(CCO)c(-c2ncc(CO)s2)c1 854213134 KZSQPXBCDAHFON-UHFFFAOYSA-N 250.323 1.419 0 50 CDAA Cc1noc(C)c1CN(CCO)Cc1ncc[nH]1 1704316505 SDXRYBWDBBGHFX-UHFFFAOYSA-N 250.302 1.009 0 50 CDAA OCc1cn([C@@H]2CCCC[C@@H]2NCC(F)(F)F)nn1 328608586 ZVQRGTFKZUERCC-VHSXEESVSA-N 278.278 1.406 0 50 CDAA O=S(=O)(CC1CCC1)N[C@H]1CCOC2(CCC2)C1 329149096 QGTDBRYUAGBMCP-LBPRGKRZSA-N 273.398 1.808 0 50 CDAA O=C(O)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 238160575 JFOZOJGNGDJISD-LLVKDONJSA-N 255.701 1.798 0 50 CDAA CCOC(=O)CNc1cc2c(cc1F)NC(=O)CC2 155863212 OQCMHXSIYAOXMQ-UHFFFAOYSA-N 266.272 1.685 0 50 CDAA O=C(CCCC1CCCC1)N1CCC(O)(C(=O)O)CC1 262520703 QQCLHTHQASTAQY-UHFFFAOYSA-N 283.368 1.785 0 50 CDAA CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](CO)C1 379443174 RMVXMYRZAQTVIR-LLVKDONJSA-N 266.341 1.847 0 50 CDAA CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC(C)(C)[C@H]1C1CC1 368151766 LBTREZLEOROTDC-WDEREUQCSA-N 281.400 1.716 0 50 CDAA CC[C@H](C(=O)NC)N(c1ccc(F)cc1)S(C)(=O)=O 13715059 NFUMNRDGQAKYQF-LLVKDONJSA-N 288.344 1.116 0 50 CDAA CCCc1nnc(NC(=O)CSc2ncn[nH]2)s1 18170088 SBZPRZVMPPVMCQ-UHFFFAOYSA-N 284.370 1.340 0 50 CDAA S=C(NCCCN1CCOCC1)Nc1ccccc1 19418533 RXNXLMKBZKWQHF-UHFFFAOYSA-N 279.409 1.695 0 50 CDAA OCCOCCN1CCN(C2CCCCCCC2)CC1 19636919 DJSFUDLNRAQHGB-UHFFFAOYSA-N 284.444 1.726 0 50 CDAA COc1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1 19960712 MIZDBZXQFKCQDI-UHFFFAOYSA-N 293.286 1.437 0 50 CDAA CCn1ccc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)n1 1857676355 GDOZHXLVODGHJH-UHFFFAOYSA-N 299.378 1.745 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3cccc4cc[nH]c34)C[C@H]2N1 1857694510 CSDBOVCWRPPUBY-CMPLNLGQSA-N 269.304 1.128 0 50 CDAA Cc1c(C(=O)N2CC[C@@H](N(C)C)C2)nc2ccccn12 1857695684 UIOUOWDRLLVKDY-GFCCVEGCSA-N 272.352 1.419 0 50 CDAA COC(=O)[C@@H]1CCN(Cc2ncc(C)o2)C[C@@H]1C 225600754 QXPDCAIHWBUQQB-GXSJLCMTSA-N 252.314 1.614 0 50 CDAA CCOC(CN1C(=O)c2ccccc2C1=O)OCC 57169 GEFXJJJQUSEHLV-UHFFFAOYSA-N 263.293 1.682 0 50 CDAA in-vitro COC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 225395770 OKWGAPABGYMOPS-GMXVVIOVSA-N 280.368 1.770 0 50 CDAA COc1ccccc1OC[C@@H](C)CNC(=O)[C@@H]1CCCN1 225485322 LXAUUNWICKZBSW-STQMWFEESA-N 292.379 1.578 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1cc(-c2ccncc2)on1 237131700 UKEPWEIDOZTPGJ-LBPRGKRZSA-N 286.335 1.561 0 50 CDAA C[C@H](C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccc(F)c1 237411310 IMWRZMPWJDQUFE-GWCFXTLKSA-N 295.310 1.631 0 50 CDAA C[C@H](O)CNC(=O)NC[C@H]1CCCN1C1CCCCC1 241316777 LUVIPHYJBKHWLL-GXTWGEPZSA-N 283.416 1.464 0 50 CDAA CCc1cc(C(=O)N[C@@H](CC(=O)O)c2cccs2)n[nH]1 766847427 ZYQZPBJYPMLQNQ-VIFPVBQESA-N 293.348 1.979 0 50 CDAA CCc1nc(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)n[nH]1 363828861 RWMWHAVLGFNKBJ-LLVKDONJSA-N 299.378 1.986 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@H]1CCNC1=O 585101694 ZEZSCVCCFYXYRH-LBPRGKRZSA-N 291.351 1.013 0 50 CDAA Cc1cccc(Cl)c1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704331098 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264.373 1.737 0 50 CDAA NCc1nnc(N2CC[C@H](C3CCCCC3)C2)o1 708826558 QSMAVFCNIRGTBX-NSHDSACASA-N 250.346 1.935 0 50 CDAA N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccncc2)C1 380930259 VABZCTAGAMGQBQ-UWVGGRQHSA-N 273.258 1.576 0 50 CDAA Cc1cc(C(=O)N[C@@H](C(=O)O)C2CCC2)c(C)o1 399086005 UUSMQJMBWLUFDV-LLVKDONJSA-N 251.282 1.880 0 50 CDAA C[C@H](C(=O)NC1CC2(CCC2)C1)N1CCCCC1=O 2325755594 FNFLNNXBOKKQQY-LLVKDONJSA-N 264.369 1.836 0 50 CDAA CC(C)(C(=O)Nc1nn[nH]n1)C1=CCSCC1 2325805428 HVIFOJIYCGMOOO-UHFFFAOYSA-N 253.331 1.228 0 50 CDAA CO[C@]1(C(=O)Nc2cnn3cccnc23)CCSC1 2325810291 HKEDOXQPHCEYJM-GFCCVEGCSA-N 278.337 1.190 0 50 CDAA CCOC(=O)c1n[nH]c(-c2cncc(Br)c2)n1 109605473 RHGVZWBJNUWFFR-UHFFFAOYSA-N 297.112 1.806 0 50 CDAA CN(C)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 616702 NDGHFRZPGHCOFE-CABZTGNLSA-N 259.371 1.273 0 50 CDAA O=S(=O)(Cc1ccc(Cl)cc1)NC[C@H]1CCCO1 2876054 KJGDRASVEJHULE-GFCCVEGCSA-N 289.784 1.938 0 50 CDAA Cc1c(-c2ccccc2)[nH][nH]c1=NC(=O)c1cn(C)cn1 2356152507 MRCBUYLCTJMSAF-UHFFFAOYSA-N 281.319 1.793 0 50 CDAA CN1C(=O)c2ccc(C(=O)Nc3cccc(O)c3)cc2C1=O 6702894 HPOMIDUFJSBXNU-UHFFFAOYSA-N 296.282 1.870 0 50 CDAA NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 6703143 SBFAQQFSWGSCQX-UHFFFAOYSA-N 294.307 1.725 0 50 CDAA O=C(O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 8733385 XWVVEFTUTRSTAQ-UHFFFAOYSA-N 298.345 1.571 0 50 CDAA CO[C@@H]1CCCN([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 246650130 IPJWLKYISJOMBS-KGLIPLIRSA-N 292.383 1.026 0 50 CDAA Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)c1 20717988 YBRMDWMGMRZLPS-LLVKDONJSA-N 285.307 1.417 0 50 CDAA C[C@H]1CC[C@@H](C)N1[C@@H]1CS(=O)(=O)[C@]12C[C@H]1C=C[C@H]2C1 101093984 VSEHSZRGTJJURI-HGPDSQILSA-N 281.421 1.991 0 50 CDAA O=C([C@H]1CCCO1)N1CCN(Cc2ccccc2F)CC1 20495040 URIPSUYTARSASS-OAHLLOKOSA-N 292.354 1.649 0 50 CDAA Cc1cc(F)cc(C(=O)N[C@H]2CCC[C@@H]2CN)c1 135238617 KAKOCKWPGFATMI-MFKMUULPSA-N 250.317 1.991 0 50 CDAA O=C(N1CCC[C@H]([C@@H]2CCCCN2)C1)C(F)(F)F 306254360 OTDXOACONCIDHG-UWVGGRQHSA-N 264.291 1.929 0 50 CDAA Cc1n[nH]c(C)c1CCCN[C@@H](C)C(=O)NC1CCCC1 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1.720 0 50 CDAA CNc1ccccc1C(=O)N1CC(NC(=O)C2CCC2)C1 293821645 VAXBVMLHWKEGSL-UHFFFAOYSA-N 287.363 1.469 0 50 CDAA CC1(C)C[C@@H](C(=O)NCCNc2cccnc2)CCO1 97757809 AOAIXBWFTKUNFE-LBPRGKRZSA-N 277.368 1.815 0 50 CDAA O=C(O)[C@@H]1CC12CN(C(=O)OCc1ccccc1)C2 95835502 RAMMHZWTJIBUFR-NSHDSACASA-N 261.277 1.730 0 50 CDAA O=C(COCc1ccccc1)NCC[C@H]1CCOC1 344257650 CMKWTQNYEISGCF-AWEZNQCLSA-N 263.337 1.746 0 50 CDAA CC1(C)CN(Cc2ccc3c(c2)NC(=O)CO3)C[C@@H]1O 294708113 ONSGJZLKBICRLK-ZDUSSCGKSA-N 276.336 1.220 0 50 CDAA COCCN(C)CC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 244641264 GMLPLFFIDDIOIG-AWEZNQCLSA-N 293.411 1.358 0 50 CDAA O=C(COC[C@H]1CCCCO1)NCc1ccsc1 252508453 XNMXXDUFRRXGQM-GFCCVEGCSA-N 269.366 1.950 0 50 CDAA O=C(NCc1cccnc1O)NC[C@H](C(=O)O)C1CCC1 626773493 PXHSKNWNTZFYOE-NSHDSACASA-N 293.323 1.087 0 50 CDAA COc1cc(NC[C@@H](C(C)C)N(C)C)nc(OC)n1 534640041 DSFJCOJJUKMXIE-JTQLQIEISA-N 268.361 1.492 0 50 CDAA CCO[C@H]1C[C@H]1C(=O)NCCc1c(C)noc1C 264486191 WOOXGKSOCVXYLB-NEPJUHHUSA-N 252.314 1.375 0 50 CDAA 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Cc1ccc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)o1 140784568 CEVYKYIHESBIIT-NSHDSACASA-N 281.308 1.684 0 50 CDAA CNc1cc(N2CCC[C@H]2CN=c2ccnc(C)[nH]2)ncn1 361001273 DXLSBLXYBHCQTQ-LBPRGKRZSA-N 299.382 1.120 0 50 CDAA CN=c1[nH]c(N2CC[C@@](C)(O)C2)nc2ccccc12 579435369 GYNQZGXZYFFHCA-CQSZACIVSA-N 258.325 1.055 0 50 CDAA COc1ccc(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1C 261960100 PLKRDMBQUHEMME-DOMZBBRYSA-N 292.379 1.339 0 50 CDAA Nc1nc[nH]c(=NC[C@@H]2CCCn3ccnc32)c1Cl 375428512 UNHJQYFYTDJZMN-QMMMGPOBSA-N 278.747 1.320 0 50 CDAA CC(C)(C)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccoc1 905900742 JBDKWVUPQOAVKD-GFCCVEGCSA-N 299.392 1.494 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncccn2)o1 907333611 YSFOQGROYSNSHN-NSHDSACASA-N 293.348 1.904 0 50 CDAA C[C@@H]1CN(C(=O)Nc2ccc3nn[nH]c3c2)C[C@@H](C)O1 822501904 ACPNYHCZMGVNBA-RKDXNWHRSA-N 275.312 1.599 0 50 CDAA C[C@@H]1OCCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@H]1C 248921670 FFHNTCYWCXUHCO-UKTARXLSSA-N 276.380 1.958 0 50 CDAA Cc1cnc(NC(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)cn1 952879659 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Cc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](N)[C@H]2C1 248666922 WVMZCRDWAHFHFL-KKUMJFAQSA-N 258.365 1.733 0 50 CDAA COC(=O)CCC(=O)Nc1cccc(C(=O)OC)c1 41017 HJRJMAKLHNKVLB-UHFFFAOYSA-N 265.265 1.365 0 50 CDAA COC(=O)C[C@@]1(C)OC[C@@H](CN2CCCCC2)O1 191960 GMGIMSPSNKVNFU-YPMHNXCESA-N 257.330 1.167 0 50 CDAA CCCN1Cc2nnc(-c3cccnc3)n2[C@H](C)C1=O 2356139305 OZBUTZYZVGOBRQ-SNVBAGLBSA-N 271.324 1.653 0 50 CDAA CCOC(=O)C[C@@](C)(O)P(=O)(OCC)OCC 2963813 LSZQZFOKMJXEGG-JTQLQIEISA-N 268.246 1.914 0 50 CDAA CCc1ccc(CNC(=O)C(=O)NC[C@H]2CCCO2)cc1 2994346 DDCVPYQNVMYJDL-CQSZACIVSA-N 290.363 1.160 0 50 CDAA O=C(CCc1cc(O)no1)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2356155032 UXBLTYMWXNHIFX-RTCCRHLQSA-N 280.324 1.075 0 50 CDAA Cc1ccc(CSCCNS(C)(=O)=O)cc1 4702061 VKKLMZDFHCOJNA-UHFFFAOYSA-N 259.396 1.777 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)c2csc(C(N)=O)c2)C1 6678606 RUALYWBYJJIEHW-MRVPVSSYSA-N 288.394 1.268 0 50 CDAA CCc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 6697085 XKBRGCIDPYRALN-UHFFFAOYSA-N 285.365 1.279 0 50 CDAA 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O=C(NC1CCCC1)[C@@H](c1ccccc1)n1cnnn1 32094969 QWLFXDCZLRBQBH-CYBMUJFWSA-N 271.324 1.321 0 50 CDAA CC(C)C[C@H]1COCCN1C(=O)COCc1ccnn1C 284487042 YFMLJSIKGVRDFI-AWEZNQCLSA-N 295.383 1.210 0 50 CDAA Fc1ccc2oc(N[C@H]3COC[C@H]3n3ccnn3)nc2c1 284542309 LTGVWFNTCXOVME-WDEREUQCSA-N 289.270 1.610 0 50 CDAA CCCc1oncc1C(=O)N1CCC[C@@]2(CNC(=O)O2)C1 72159082 IXMXFHSMRNCRRY-CQSZACIVSA-N 293.323 1.342 0 50 CDAA CCS(=O)(=O)NCCN1Cc2ccccc2O[C@@H](C)C1 366544760 NMUYMEIAXZGTLI-LBPRGKRZSA-N 298.408 1.209 0 50 CDAA Cc1n[nH]c2ncc(NC(=O)C3CCOCC3)cc12 126298609 LBTUJZVJNLYAMZ-UHFFFAOYSA-N 260.297 1.631 0 50 CDAA CCNC(=O)C[C@H]1CCCCN1C(=O)c1c(C)noc1C 285081271 WZVSMBXYKLIZRW-GFCCVEGCSA-N 293.367 1.812 0 50 CDAA CCc1ccccc1OCC(=O)N1CCN[C@@H](C)C1 237033346 DMWWWAVHCTVNLM-LBPRGKRZSA-N 262.353 1.448 0 50 CDAA Cc1ccc(C(=O)N2CCCn3nnnc32)c(C(C)C)n1 333695620 CPWIHAFZJZXRNP-UHFFFAOYSA-N 286.339 1.550 0 50 CDAA CC[C@H]1CN(C(=O)c2cc(C)n[nH]2)CCN1C(C)C 77564334 AYOUAAXPJWYJOS-LBPRGKRZSA-N 264.373 1.663 0 50 CDAA COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1O[C@H](C)C[C@H]1C 375695931 FYKDOHAVBUILFY-UCKQBZRPSA-N 295.379 1.600 0 50 CDAA CS(=O)(=O)CCC(=O)N[C@H]1CCCc2ccccc21 75485128 XGUYBNNUXHZESS-ZDUSSCGKSA-N 281.377 1.615 0 50 CDAA Cc1ccc(C(=O)NCCNC(=O)NCC(F)F)cc1 174830140 GMWZPLQFAPOHDD-UHFFFAOYSA-N 285.294 1.289 0 50 CDAA C[C@@H](NC(=O)c1cnco1)c1nc(-c2cccnc2)no1 223387316 SWUCQORKMBUGDD-MRVPVSSYSA-N 285.263 1.611 0 50 CDAA O=C(O)CC1(NC(=O)c2cn[nH]c2)CCCCC1 84146730 TYANJQZBZCCMFY-UHFFFAOYSA-N 251.286 1.317 0 50 CDAA O=C(NCCc1nccs1)[C@H](O)c1cccc(F)c1 221358974 RELTUGOQESZOTC-GFCCVEGCSA-N 280.324 1.675 0 50 CDAA CC[C@@H](NC(=O)c1cccc(O)c1C)C1CC(O)C1 223271141 XGWZVJJXZVGJDV-GCZXYKMCSA-N 263.337 1.980 0 50 CDAA Cc1cc(CN2CC[C@H](Nc3ncccn3)C2)ccn1 529609194 CFKDCGOLHDPGTB-AWEZNQCLSA-N 269.352 1.866 0 50 CDAA CC1(C)OC[C@@H]2C[C@@]21C(=O)N1CC(OC(F)F)C1 613766631 RBSPSXCQLCKJOX-MADCSZMMSA-N 261.268 1.252 0 50 CDAA COc1cc(S(=O)(=O)n2ccnc2)ccc1Cl 41095752 PWOJHXMJPAMLME-UHFFFAOYSA-N 272.713 1.782 0 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Cc1nc(CC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cs1 91768750 BROFWWXBKIBZAS-NEPJUHHUSA-N 265.382 1.190 0 50 CDAA CC(C)n1nccc1NC(=O)NCCCN1CCOCC1 95506081 KGBFUTAOIGCUET-UHFFFAOYSA-N 295.387 1.308 0 50 CDAA Cc1ccccc1N1CCCN(C[C@@H]2COCCO2)CC1 244874923 XJRKSJXYNLFGPW-MRXNPFEDSA-N 290.407 1.923 0 50 CDAA CSc1ncc(CNC(=O)CCn2ccnc2C)n1C 252486694 HORFHYCOZSJTCA-UHFFFAOYSA-N 293.396 1.353 0 50 CDAA O=C(NCc1csc(-c2cnccn2)n1)[C@H]1CCOC1 534662763 OLVXDJGUZXTWMU-VIFPVBQESA-N 290.348 1.253 0 50 CDAA CN(CC1(CO)CCCC1)C(=O)[C@@H]1CC12CCNCC2 534661162 XGLXDPMMKPNIJD-ZDUSSCGKSA-N 280.412 1.387 0 50 CDAA CC[C@H]1C(=O)Nc2cc(F)c(F)cc2C(=O)N1C 534666192 CMUSBDRWFXYCGA-JTQLQIEISA-N 254.236 1.768 0 50 CDAA CCn1nc(C)c(CNC(=O)c2ccnc(C3CC3)n2)n1 819596204 ODISUCZIJNHHIH-UHFFFAOYSA-N 286.339 1.204 0 50 CDAA Cc1c(F)cccc1NC(=O)N(C)[C@H]1COC[C@@H]1O 299780360 SJFIRKOGVNQCHO-RYUDHWBXSA-N 268.288 1.358 0 50 CDAA CC(=O)c1ccc(NC(=O)N2CC[C@H]3CNC[C@H]32)cc1 299780827 CUUYLWJMQKNDNL-GXTWGEPZSA-N 273.336 1.715 0 50 CDAA Cc1nn[nH]c1C(=O)N1CCc2ccccc2CC1 789978482 LFEVJIJPQLPZDV-UHFFFAOYSA-N 256.309 1.354 0 50 CDAA Brc1ccnc(N=c2cncc[nH]2)c1 575444435 IZXGRBVAXAVCGU-UHFFFAOYSA-N 251.087 1.800 0 50 CDAA CC[C@@H](NC(=O)c1nc2ncccn2n1)c1ncc(C)[nH]1 584884181 CACQGXSMZANFON-SECBINFHSA-N 285.311 1.037 0 50 CDAA O=C(CCn1cnnc1)Nc1cccc(CN2CCCC2)c1 828065464 FTGPOHUZUWAZGA-UHFFFAOYSA-N 299.378 1.903 0 50 CDAA Cc1cc(N(C)Cc2ncon2)nc(N2CCCC2)n1 825149722 RPUNZHOQAWWCKK-UHFFFAOYSA-N 274.328 1.405 0 50 CDAA Cc1nn(C)c(C)c1CN(C)c1ncnc2[nH]ccc12 670463618 MHLMUUIFLIIWFS-UHFFFAOYSA-N 270.340 1.945 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@H](C)c2c(C)n[nH]c2C)o1 584890185 CFYBCCXNGMKFOO-MRVPVSSYSA-N 275.308 1.779 0 50 CDAA COC(=O)c1nc(N2CCOCC2)ccc1Cl 675083662 DDAVTAONSCMRPC-UHFFFAOYSA-N 256.689 1.358 0 50 CDAA OC1(c2ccccn2)CCN([C@H]2CN3CCC2CC3)CC1 670468984 XMPXUFCMKOHELR-HNNXBMFYSA-N 287.407 1.459 0 50 CDAA CN1CCO[C@H](C(=O)N2CC[C@@H]3CCCC[C@H]32)C1 685939586 RCCCYVLEPOTXOO-XQQFMLRXSA-N 252.358 1.108 0 50 CDAA C[C@H](N1CCN([C@H]2CCCC[C@H]2O)CC1)C(F)(F)F 245595155 HEFQBLKYQXOKIC-SDDRHHMPSA-N 280.334 1.858 0 50 CDAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H](O)[C@H](F)C1 952971069 HBZCARRILWMSLQ-VXGBXAGGSA-N 289.310 1.540 0 50 CDAA Cc1nc(CN[C@H](C)CN2CCCCCC2)n[nH]1 952869131 XOWGHKPDGWPHSQ-LLVKDONJSA-N 251.378 1.467 0 50 CDAA Cn1nc(C(=O)O)c2c1CCN(C(=O)OC(C)(C)C)C2 66324394 MIVUCYLGVASPHG-UHFFFAOYSA-N 281.312 1.412 0 50 CDAA in-vitro COc1ccc2c(c1)C=C(CN1CC[C@@H]3CNC[C@@H]31)CO2 1565507908 WQVZIESZCGPKNA-CJNGLKHVSA-N 286.375 1.765 0 50 CDAA C[C@H]1CN(Cc2ccccc2C(=O)O)C[C@]1(O)C1CC1 1565511711 DKSVVUZMSVAOKD-MEDUHNTESA-N 275.348 1.978 0 50 CDAA CC1(CNCCN2CCCC[C@@H]2CO)CCOCC1 952980109 CLERRZFGRHJKHK-CQSZACIVSA-N 270.417 1.240 0 50 CDAA CC(C)[C@H]1C=CCN1C(=O)CCC(=O)Nc1nncs1 952973149 YHJDGPJZRFBASA-SNVBAGLBSA-N 294.380 1.680 0 50 CDAA C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)O)Oc1ccc(F)cc1 268962270 ZVYCKEMZSDGNDU-JFUSQASVSA-N 281.283 1.430 0 50 CDAA COCC1=CCN([C@H](C)c2nc(COC)no2)CC1 185887475 CCFQYVALVKFYBI-SNVBAGLBSA-N 267.329 1.556 0 50 CDAA C=CC(=O)NCCNC(=O)[C@H]1CCc2ccc(OC)cc21 277192854 GAYHBBNWOQKMDX-ZDUSSCGKSA-N 288.347 1.143 0 50 CDAA COc1cccc2c1CN(C(=O)[C@@H]1NCC1(C)C)C2 632855482 SIBKFVRHKQXTPS-ZDUSSCGKSA-N 260.337 1.535 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2c(C)noc2C)n1 408046056 JTWMKJVYIUJJOF-MFKMUULPSA-N 292.339 1.945 0 50 CDAA Cn1nccc1CNC[C@H]1CCO[C@@H]1C(C)(C)C 189236330 NDHKRFWXFWUKGE-YPMHNXCESA-N 251.374 1.961 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1cc(F)ccc1C 643764333 USOVSCRWDVKBHB-HNNXBMFYSA-N 280.343 1.600 0 50 CDAA C[C@H]1CCCN(C(=O)c2cccc(Cl)n2)[C@@H]1CN 195542970 AHUBNEOOOWNICW-GXSJLCMTSA-N 267.760 1.934 0 50 CDAA O=C(O)c1cccc(OCCN2CCOC[C@@H]2C2CC2)c1 578076435 HZFPVINKLZMDFT-OAHLLOKOSA-N 291.347 1.874 0 50 CDAA CC(C)=C(F)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 583620464 ZJGXBQVKFKZNRX-TUAOUCFPSA-N 271.332 1.638 0 50 CDAA CC[C@@H]1C(=O)NCCN1Cc1ccnc(Cl)c1F 585086712 VTXAVIXUKIFNOB-SECBINFHSA-N 271.723 1.585 0 50 CDAA Cc1cccc2c(CCNC(=O)COCC(=O)O)c[nH]c12 585090022 TXLLJGIRWSCTAN-UHFFFAOYSA-N 290.319 1.236 0 50 CDAA COC[C@H](O)CNC(=O)Nc1ccccc1-c1ncco1 585135725 YIWCZZLJTAKTLE-SNVBAGLBSA-N 291.307 1.470 0 50 CDAA CC1(C)CCN(C(=O)Nc2ccc(F)cn2)CC[S@]1=O 585119670 PATMSPMFVIAWEH-HXUWFJFHSA-N 299.371 1.986 0 50 CDAA COc1ccc(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cc1 1615000724 CLZNXZGCYRYABG-SJLPKXTDSA-N 296.370 1.979 0 50 CDAA COCCC1CCN(C(=O)[C@H]2NCC23CCCC3)CC1 1615547117 NYMIJPCJMDXHKF-CQSZACIVSA-N 280.412 1.794 0 50 CDAA Cc1cnc(CCNC(=O)[C@@H]2NCC23CCCC3)c(C)c1 1615550864 YPEQXRKJBAZBPQ-HNNXBMFYSA-N 287.407 1.889 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)NCC(C)(C)F 1615544568 CBAZGOSHJYXRTO-OAHLLOKOSA-N 280.343 1.660 0 50 CDAA CO[C@@H]1CNC[C@@H]1NC(=O)CCc1ccc(C)cc1C 1615629272 UWQQKZLRTVSOKP-LSDHHAIUSA-N 276.380 1.339 0 50 CDAA CN1CCC[C@@H](Nc2ncc(F)c(N3CCCC3)n2)C1 1506406732 NBSJPPAPXUGYAP-LLVKDONJSA-N 279.363 1.722 0 50 CDAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCC1 1529172474 IFFMCTNCNNMXBN-ZIAGYGMSSA-N 260.337 1.555 0 50 CDAA CNCC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529180953 NYPPYLBNWHHXIO-LSDHHAIUSA-N 274.364 1.585 0 50 CDAA CCC[C@H]1C=CCN1C(=O)C1(O)CCN(C)CC1 1857690175 DGUNNEVLSBOHFS-LBPRGKRZSA-N 252.358 1.010 0 50 CDAA Cc1c(C(=O)N[C@H]2CCSC2)nc2ccccn12 1857699408 TVHDHAFTUPZPSQ-JTQLQIEISA-N 261.350 1.878 0 50 CDAA CCO[C@H]1COC[C@@H]1n1ccnc1-c1cnsc1 1857709943 ZKUODQFKQKJZQA-QWRGUYRKSA-N 265.338 1.983 0 50 CDAA Cc1ccc(Cl)c(N(C)[C@H]2C[C@@H](C(N)=O)C2)n1 858815601 VDHSUDCTGYOYFM-DTORHVGOSA-N 253.733 1.744 0 50 CDAA O[C@H]1CCC[C@@H]1N=c1nc(C2CCCC2)[nH]s1 631522549 LQCPJOYMCSDAOC-UWVGGRQHSA-N 253.371 1.943 0 50 CDAA N[C@H](CC1CCCCC1)C(=O)N1CCOCC(F)(F)C1 634740387 WJIROGRHCWPBKH-GFCCVEGCSA-N 290.354 1.778 0 50 CDAA CC(C)n1nnnc1CN1CC[C@@H](O)C12CCCC2 565781919 ASRKCIXMSMMKDT-LLVKDONJSA-N 265.361 1.133 0 50 CDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(CCC(C)C)CCN2C1=O 14538215 WWGYJSAMPMSVRA-MJBXVCDLSA-N 295.427 1.090 0 50 CDAA O=Cc1sc(=O)[nH]c1-[n+]1ccc2ccccc2c1 15973890 PUZRGTDJHDZUID-UHFFFAOYSA-O 257.294 1.679 0 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288.347 1.868 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@@H]1CCCO1)Cc1cccc(F)c1 362745120 NCCTVVASCRWKET-AAEUAGOBSA-N 295.310 1.364 0 50 CDAA C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@@H]1CCOC1 153638776 FJWXWWDZJNSSKS-YUELXQCFSA-N 292.379 1.314 0 50 CDAA CCN(C)C[C@@H]1CCN(c2ncnc3nc[nH]c23)C1 267201196 FVTQHZQSTFKHME-JTQLQIEISA-N 260.345 1.131 0 50 CDAA NCc1ncc(-c2ccc(O[C@@H]3CCOC3)cc2)cn1 935617079 ICJXIOYPUZUZGD-CQSZACIVSA-N 271.320 1.770 0 50 CDAA C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(C(=O)O)o1 237462567 ZRWPFEUAEQETLT-HTQZYQBOSA-N 253.254 1.227 0 50 CDAA NC(=O)c1nc(-c2cccc(CN3CCCCC3)c2)no1 874435569 XZHFDDSXHHGDKU-UHFFFAOYSA-N 286.335 1.821 0 50 CDAA COC(=O)c1ccc(CN2C[C@@H]3C[C@@]2(C(=O)O)[C@@H]3C)n1C 1875288756 BGBRKKUWUQHTLL-FTGAXOIBSA-N 292.335 1.107 0 50 CDAA CNC(=O)c1ccc(CCN[C@@H](C)c2cncn2C)cc1 1875270087 DZJDXSUBGVUKIB-LBPRGKRZSA-N 286.379 1.673 0 50 CDAA Cc1ccc2nc(C)cc(C(=O)NS(C)(=O)=O)c2c1 1875390851 UXNXXGRJRGQXBL-UHFFFAOYSA-N 278.333 1.541 0 50 CDAA O=C(Nc1c[nH]nc1OCC(F)(F)F)c1cn[nH]c1 1875345320 WDVDEBCBRSCSPO-UHFFFAOYSA-N 275.190 1.326 0 50 CDAA C=CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1COC[C@H]1O 1875382479 CMVIPTAHBIHVMO-CHWSQXEVSA-N 299.729 1.753 0 50 CDAA O=C(c1cccc2nn[nH]c12)N1CC[C@H](C(F)(F)F)C1 888015270 HYWMFOXXKQYWRD-ZETCQYMHSA-N 284.241 1.982 0 50 CDAA CC(C)(C)n1ncc2c(N[C@@H]3Cc4cncn4C3)ncnc21 894996727 PNKDYTGENBTGDK-SNVBAGLBSA-N 297.366 1.815 0 50 CDAA CC[C@@H](CO)C(=O)NCc1c(C(=O)O)[nH]c2ccccc12 1776003448 PUYOXCXMPUFEGP-VIFPVBQESA-N 290.319 1.501 0 50 CDAA C=CC(=O)N1CCC[C@](C(=O)O)(C(F)(F)F)C1 1776004943 SIOWNLMRYLQNPM-VIFPVBQESA-N 251.204 1.428 0 50 CDAA CNC(=O)NCc1cn([C@H](C)c2ccc(Cl)cc2)nn1 899719127 RDNMFBTYRGXPFW-SECBINFHSA-N 293.758 1.970 0 50 CDAA Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)o1 263491403 OWNXNQSPRWQJKY-AEJSXWLSSA-N 285.321 1.214 0 50 CDAA Cc1cncc(C(=O)N2C[C@@H](C(=O)O)CC[C@H]2C)c1 263533165 XSWHCXJWYQGKLN-MNOVXSKESA-N 262.309 1.715 0 50 CDAA C[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)O)c1ccccc1 268978504 LVKUTIITEBMYPW-WCQYABFASA-N 277.320 1.492 0 50 CDAA Cc1ccc(C(=O)NCCNc2ccc(C)nn2)cc1 41074815 UXYNHHIQWKOJDH-UHFFFAOYSA-N 270.336 1.935 0 50 CDAA CCSC[C@H](N)C(=O)N1CCN(CC)C(C)(C)C1 67787949 KJJZTJMJCXZDGX-NSHDSACASA-N 273.446 1.010 0 50 CDAA Cc1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)O)c(O)c1 405730637 WRDRBPHZNGYNDM-LLVKDONJSA-N 277.320 1.931 0 50 CDAA CSCCC(=O)N1CCC[C@H](c2ncc[nH]2)C1 77343664 HQFYFOOIPQMYEI-JTQLQIEISA-N 253.371 1.869 0 50 CDAA Cc1ccc(C[C@H](C)NC(=O)c2cc(O)ncn2)s1 625735278 ZUBJYAZSTSCFBJ-QMMMGPOBSA-N 277.349 1.913 0 50 CDAA C[C@@H]1C[C@H](C(=O)NC[C@H](CC2CC2)C(=O)O)[C@@H](C)O1 630199616 FXVOOSPAWUFONR-LSKIRQOJSA-N 269.341 1.417 0 50 CDAA OC[C@@H]1[C@H](CO)CCCN1c1ccc(C(F)(F)F)cn1 709786893 VOCFJTYSHVQTFV-GXSJLCMTSA-N 290.285 1.670 0 50 CDAA O=S(=O)(N[C@H]1CCCc2ccccc21)c1ncc[nH]1 381943405 ZKOJOUXKDWTELZ-LBPRGKRZSA-N 277.349 1.766 0 50 CDAA Cc1nnccc1C(=O)NC[C@@H](CC1CCCC1)C(=O)O 908288118 JRJWDHHUNUCPCU-GFCCVEGCSA-N 291.351 1.796 0 50 CDAA CC(=O)Oc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 30338 CUODKXXFMKMCIE-UHFFFAOYSA-N 298.298 1.963 0 50 CDAA CCOC(=O)c1ccc(NC(=O)c2ccc[n+]([O-])c2)cc1 1464922 UADRFVNGJFONHK-UHFFFAOYSA-N 286.287 1.749 0 50 CDAA COc1cc(NC(=O)CC(C)=O)cc(OC)c1OC 1635510 KOEZBVSSFMOARF-UHFFFAOYSA-N 267.281 1.630 0 50 CDAA CC(C)C[C@H](NC(=O)Cc1ccccc1)P(=O)(O)O 2497089 NNHBNNKXEXPODI-CYBMUJFWSA-N 285.280 1.895 0 50 CDAA CCCCNS(=O)(=O)c1cc(OC)ccc1OC 2602231 QFSRKBBIENMLGU-UHFFFAOYSA-N 273.354 1.782 0 50 CDAA biogenic CNC(=O)N1c2ccc(C)cc2[C@H]2CN(C)CC[C@@H]21 4007188 ZLLYQMRMDBRZGG-OCCSQVGLSA-N 259.353 1.942 0 50 CDAA Cc1nc(SCC(=O)O)c(C(N)=O)c(C)c1C 4206240 YFWWWLSUYXRYCH-UHFFFAOYSA-N 254.311 1.282 0 50 CDAA Cn1nnnc1SCCC(=O)NCc1ccccc1 6526015 HXXCREBSMJMTHH-UHFFFAOYSA-N 277.353 1.009 0 50 CDAA O=S(=O)(NCc1cccnc1)c1cc(F)ccc1F 6714492 FOJZQAIGGAIYQJ-UHFFFAOYSA-N 284.287 1.838 0 50 CDAA CCCCNCc1cccc(OC)c1OCC(N)=O 6747296 FKLCSYXEYPIOOW-UHFFFAOYSA-N 266.341 1.449 0 50 CDAA CO[C@@H]1C[C@H](O)[C@@H]2O[C@H](c3ccccc3)OC[C@@H]2O1 105477824 FHXCXDUEKHFWGP-HTVCTNPSSA-N 266.293 1.223 0 50 CDAA CCOC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc[n+]1[O-] 225775369 SECCAXKKIFYRAT-NWDGAFQWSA-N 292.335 1.172 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2[C@@H]2Cc3ccccc3O2)C1 601045312 VUIOSSGJKQPWFI-AAEUAGOBSA-N 299.330 1.690 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(=O)C1 113408542 RRCJBVSTRMKBGB-UHFFFAOYSA-N 292.339 1.248 0 50 CDAA C[C@H](c1ccncc1)N(C)C(=O)c1nnc2n1CCCC2 20911635 MMHKFSRWNWZKJT-LLVKDONJSA-N 285.351 1.843 0 50 CDAA CCOC(=O)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 100764934 SESCEXYKMJZFEE-RKDXNWHRSA-N 255.314 1.662 0 50 CDAA CCS(=O)(=O)CCNc1nc(N(C)C)nc(C)c1C 65405459 IHMPHQPELQMGSL-UHFFFAOYSA-N 286.401 1.006 0 50 CDAA Nc1nc(=O)c2c(CCc3ccc(C(=O)O)cc3)c[nH]c2[nH]1 22012024 AIZPFZIKHIJCQX-UHFFFAOYSA-N 298.302 1.317 0 50 CDAA in-vitro Cc1cc(C)n(CC(=O)NC[C@H]2CCCN(C(C)C)C2)n1 67878924 OTGSOTUQPHBTMR-OAHLLOKOSA-N 292.427 1.737 0 50 CDAA COc1cccc(-c2c[nH]c([C@@H]3CNC(=O)C3)n2)c1 20778654 CVTXDFQEWUYKMK-JTQLQIEISA-N 257.293 1.689 0 50 CDAA O=C(NCc1nc(O)n[nH]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 331088920 UFEKGRJYWCGCFH-RQJHMYQMSA-N 292.261 1.495 0 50 CDAA CCc1ccc(OC[C@H](O)CN2CCO[C@@H](C)C2)cc1 229275503 GQOHPRZBBIDMCT-DZGCQCFKSA-N 279.380 1.709 0 50 CDAA C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCCC1 28286245 UITYIZHPSJIEGD-CHWSQXEVSA-N 290.363 1.427 0 50 CDAA Cc1ccc(NCCCNC(=O)[C@H]2CCOC2)nc1 172363707 RHEVPPYYCVUDHO-LBPRGKRZSA-N 263.341 1.345 0 50 CDAA CC[C@@H]1CN(C(=O)C[C@H](C)NC(=O)C2CCCC2)C[C@@H]1O 332310512 KFEJVZXQNGPIJZ-SCRDCRAPSA-N 296.411 1.301 0 50 CDAA CCN(CC)C[C@@H]1CCCN1CCn1ccnc1 1506403667 UUZJUWRXRWUAAU-AWEZNQCLSA-N 250.390 1.689 0 50 CDAA COc1ccc2[nH]c(CCN(C)Cc3ncc[nH]3)nc2c1 65466846 MFHAXEUWMXXFOF-UHFFFAOYSA-N 285.351 1.969 0 50 CDAA COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 166155 ZUVVLBGWTRIOFH-CYBMUJFWSA-N 299.392 1.861 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@H]2CCN(C)C)on1 72421087 YSVYFQKRLQQSBF-GFCCVEGCSA-N 265.357 1.929 0 50 CDAA CC(C)n1cc(C(=O)N[C@@H](CO)Cc2ccccc2)cn1 188538918 BXZSQCMJYSIQRP-OAHLLOKOSA-N 287.363 1.797 0 50 CDAA Cc1cnc(N[C@H]2CCN(c3cnn(C)c3)C2=O)nc1C 253417027 BEHJVCYECMXUHW-LBPRGKRZSA-N 286.339 1.044 0 50 CDAA Cc1nccn1CC1CCN(c2ccnc(CO)c2)CC1 32511755 CORXMBGJKJBKLK-UHFFFAOYSA-N 286.379 1.995 0 50 CDAA CCOC1(C(=O)N2CCC[C@H](n3ccnn3)C2)CCCC1 333274434 LDJPHWNQJZRTPY-ZDUSSCGKSA-N 292.383 1.791 0 50 CDAA O=C1COc2ccc(CN3C[C@@H]4[C@H]5C=C[C@@H](O5)[C@H]4C3)cc2N1 333567119 PCEPAEHFUWFMMK-DDHJSBNISA-N 298.342 1.403 0 50 CDAA CCc1nsc(N2CC[S@@](=O)CC[C@@H]2C)n1 369349167 LHZGVAIKERKYBT-PWJLMRLQSA-N 259.400 1.448 0 50 CDAA Cn1cc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)nn1 334151371 KOVRZYOMLXMYLD-VIFPVBQESA-N 290.289 1.866 0 50 CDAA C[C@H](c1ccccn1)N(C)C(=O)NCCCn1ccnn1 183531215 WKXIIZDEHIQNDH-GFCCVEGCSA-N 288.355 1.466 0 50 CDAA Cc1cccc2[nH]c(CCC(=O)N3CCN[C@@H](C)C3)nc12 237733363 AYWHPIMTWADQCT-LBPRGKRZSA-N 286.379 1.624 0 50 CDAA C[C@@H](N)CC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 261890407 TUDQPUNPRPHYHK-DGCLKSJQSA-N 292.354 1.984 0 50 CDAA COC[C@@H]1CN(CCCc2cnccc2C)CCO1 377544272 UIYOOSJMPPMMAD-HNNXBMFYSA-N 264.369 1.670 0 50 CDAA O=C(O)COc1cccc(CNC(=O)[C@@H]2C[C@@H]2C2CC2)c1 238018573 HCANLSMPCRTKFZ-ZIAGYGMSSA-N 289.331 1.812 0 50 CDAA CN(C)CCOc1ccccc1C(=O)N1CCC[C@H](N)C1 157984635 VXNKGFBIYIRZPC-ZDUSSCGKSA-N 291.395 1.190 0 50 CDAA Cc1nc2ccc(C(=O)N[C@H]3CC[C@H]3N)cc2nc1C 72161068 BVXFBQDVFIKJCV-NEPJUHHUSA-N 270.336 1.466 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2ccncc2F)C1(C)C 240540934 GQJBJNLQWLSCAH-SWLSCSKDSA-N 296.342 1.517 0 50 CDAA C[C@@H](C(=O)NCCO[C@H]1CCCC[C@H]1C)n1cncn1 240555812 GXJWKJYBVGFUJW-AGIUHOORSA-N 280.372 1.551 0 50 CDAA CCc1ncsc1C(=O)N[C@H]1CC[C@H](CO)CC1 245675196 QHEDKAAPIAXXJZ-MGCOHNPYSA-N 268.382 1.986 0 50 CDAA O=S(=O)(CCNCc1ccc(O)cc1)N1CCCCC1 40451272 AODFPHLMMVNTTC-UHFFFAOYSA-N 298.408 1.298 0 50 CDAA CC[C@]1(C)COCCN1S(=O)(=O)c1cncc(C)c1 1365684478 XKTHBJSFTLGKSD-CYBMUJFWSA-N 284.381 1.580 0 50 CDAA C[C@@H](c1cccnc1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 194778538 UCKCURTWJDEHSJ-RYUDHWBXSA-N 275.352 1.469 0 50 CDAA Cc1ccc2c(c1)C[C@@H](C(=O)NCc1snnc1C)N2 223737227 BAQPWARQHRHUHT-LBPRGKRZSA-N 288.376 1.808 0 50 CDAA CCn1c(C)ccc(C(=O)N2CCCC[C@H]2C(=O)O)c1=O 426494706 WYXZXTKUMRRYAV-LBPRGKRZSA-N 292.335 1.256 0 50 CDAA CN(Cc1cnn(CCC(=O)O)c1)C1CCSCC1 97756452 CIVSROUZODTPRB-UHFFFAOYSA-N 283.397 1.685 0 50 CDAA C[C@H](NC(=O)N(CCO)CCN(C)C)c1ccc(F)cc1 426658284 HKHVJAUAJUHULO-LBPRGKRZSA-N 297.374 1.452 0 50 CDAA OCCn1nc(C2CCCC2)nc1[C@@H]1CCOC1 96139530 WSRXBHKLILTVER-LLVKDONJSA-N 251.330 1.432 0 50 CDAA Cn1cncc1CCC(=O)NC[C@]1(O)CCCC1(C)C 294031015 DPXQBVSXUQXASL-OAHLLOKOSA-N 279.384 1.410 0 50 CDAA C[C@@H]1CN(c2nccc(N)n2)CC[C@@]1(O)C1CCC1 91965620 XKFDDXBJOABGCB-YGRLFVJLSA-N 262.357 1.436 0 50 CDAA CC(C)(C)OC(=O)N1CCn2nc(CN)cc2C1 238150116 WJSWOUUSRDNKIJ-UHFFFAOYSA-N 252.318 1.093 0 50 CDAA Cc1nc(CCCC(=O)N2CCC[C@@H]2C(=O)O)cs1 237630220 ACMGXFMGUPDFDM-LLVKDONJSA-N 282.365 1.850 0 50 CDAA CC[C@H]1CN(CCn2ccnc2C)CCN1C(C)C 244796029 RRSHDOSXWAJZGY-HNNXBMFYSA-N 264.417 1.996 0 50 CDAA CC[C@H](NC(=O)c1ccc(C)c(O)c1)[C@H]1C[C@H](O)C1 244735160 NTWHPGNFQXYVSG-AVGNSLFASA-N 263.337 1.980 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)COc1cccnc1 252496813 PSEVOCNXGZGXCF-LLVKDONJSA-N 289.339 1.339 0 50 CDAA C[C@@H]1CCCC=C[C@@H]2C[C@H](O)C[C@@H]2[C@@H](O)C=CC(=O)O1 254076741 KQNZDYYTLMIZCT-MRLBHPIUSA-N 280.364 1.962 0 50 CDAA C[C@H]1CCCN(C(=O)CN[C@@H]2CCO[C@H]2c2cc[nH]n2)C1 625581616 PEONYYWNERASGW-YWPYICTPSA-N 292.383 1.088 0 50 CDAA O=c1ncc(Br)cn1CC(F)(F)F 255187988 IDZKDBZVPNDFRW-UHFFFAOYSA-N 257.009 1.568 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CCO1 299743567 LJHZVXLLNNHGIM-XQQFMLRXSA-N 293.294 1.241 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCC1(c2cccc(F)c2)CC1 299752885 VWPBQOUNCASQHS-VXGBXAGGSA-N 277.295 1.694 0 50 CDAA NC[C@@H]1CCN(C(=O)[C@H]2CSc3ccccc3O2)C1 299739033 JRVGTEPZXFIWPB-CMPLNLGQSA-N 278.377 1.347 0 50 CDAA CCCCn1nc(C)cc1NC(=O)N1CCC[C@H]1CO 299760248 DXBJVQXZYLLFFK-LBPRGKRZSA-N 280.372 1.980 0 50 CDAA CC(C)[C@H](NC(=O)CN1CCCC1=O)c1ccccn1 299767999 HGNXEYYGBXHIKN-HNNXBMFYSA-N 275.352 1.517 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)CN1C[C@H](C)O[C@H](C)C1)C2 299797689 SEORDRHQELSDNT-BETUJISGSA-N 289.379 1.341 0 50 CDAA C[C@@H](NC(=O)Cc1ccsc1)c1nncn1C 299117810 XHMIERPSQQQCOZ-MRVPVSSYSA-N 250.327 1.297 0 50 CDAA Cc1nonc1CN(C)C[C@H]1CCN(C)C1(C)C 823719846 PPURGDJODSLFBK-LLVKDONJSA-N 252.362 1.540 0 50 CDAA COC[C@@H](C)C1CCN(S(=O)(=O)C(C)C)CC1 824332773 VNPIMLZGSJBPKV-LLVKDONJSA-N 263.403 1.719 0 50 CDAA Cn1c(S(=O)(=O)N2CC[C@@H]2C(F)F)cnc1Cl 585134792 KFKHCSPCQQIXOF-RXMQYKEDSA-N 285.703 1.102 0 50 CDAA c1cc(-c2n[nH]c(CN[C@@H]3CCSC3)n2)ccn1 584886928 OMKUUUWZPNWQLJ-SNVBAGLBSA-N 261.354 1.462 0 50 CDAA COC(=O)c1cncc(-c2cnc(C(=O)O)nc2)c1 675068995 AJLBTHWCWNDFSJ-UHFFFAOYSA-N 259.221 1.023 0 50 CDAA Cc1cc2n(n1)CCN(C(=O)c1cncc(F)c1)C2 670472815 KJRWDGNFVIUZOX-UHFFFAOYSA-N 260.272 1.382 0 50 CDAA CN(C(=O)Cc1ccc(F)cc1F)[C@H]1[C@@H]2CNC[C@@H]21 1342127508 AAMZENQMMBMMPY-YABSGUDNSA-N 266.291 1.184 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1550805538 CTMIGKYCAHIAJR-CQSZACIVSA-N 296.392 1.364 0 50 CDAA Cc1nccc(N2CCCN(C(=O)[C@H]3CCCO3)CC2)n1 1057084004 PGDNBHFKDCMIQH-CYBMUJFWSA-N 290.367 1.003 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ccn(C)n2)n1 408038799 PKOZMURIDFEMTA-SKDRFNHKSA-N 277.328 1.074 0 50 CDAA Cc1nc([C@H]2CN(C(=O)c3ccco3)CCO2)no1 408154728 QPTOBHIMBHWWIA-SNVBAGLBSA-N 263.253 1.185 0 50 CDAA C[C@@H](C(=O)N(C)C[C@H]1CCS(=O)(=O)C1)C(C)(C)C 408217272 LEDNVVXYQNZPSL-WDEREUQCSA-N 275.414 1.562 0 50 CDAA CC(=O)N1CCC[C@H](C(=O)NCC(F)(F)C(F)F)C1 170611656 MLQUGHONAIHEST-QMMMGPOBSA-N 284.253 1.262 0 50 CDAA CO[C@H]1CCC[C@H]1NCCn1cc(Br)cn1 390472346 CHQJIYKNNAMQNV-MNOVXSKESA-N 288.189 1.803 0 50 CDAA CN(CCOCCN)c1ncnc2[nH]c3ccccc3c12 630535502 GNQLWUHMIJJNEP-UHFFFAOYSA-N 285.351 1.523 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@@]2(CCCNC2)C1 91303968 WPWQOZQQBMPUIV-CYBMUJFWSA-N 256.346 1.376 0 50 CDAA in-vitro CC[C@H](OC1CCCCC1)C(=O)N1CC(C(=O)NC)C1 186143083 XGELCYQVPNYMFX-ZDUSSCGKSA-N 282.384 1.319 0 50 CDAA C[C@@H]1COCC[C@@H]1NC[C@@H](n1cncn1)C(F)(F)F 631692446 QCWYNJIPWDTLCX-KXUCPTDWSA-N 278.278 1.396 0 50 CDAA CC[C@H](NC(=O)c1cnn(C(C)C)c1)[C@@H](O)C(F)(F)F 276139314 CDXFWWTUSQSBJL-VHSXEESVSA-N 293.289 1.896 0 50 CDAA NC(=O)C1CCC(CNC(=O)[C@@H]2C[C@@H]2C2CC2)CC1 170024609 BUTAFBXFENCDNJ-VYKQGROPSA-N 264.369 1.440 0 50 CDAA CO[C@H]1CC[C@H](NC2CCC(NC(C)=O)CC2)C1 188798991 IPPJQWSERAXJDT-HOAMVYINSA-N 254.374 1.591 0 50 CDAA O=C(C[C@H]1CCOC1)Nc1cnn(Cc2ccncc2)c1 555553791 KSCUCBBMVIILQK-CYBMUJFWSA-N 286.335 1.692 0 50 CDAA CC(=O)Nc1cccnc1NC(=O)[C@H]1CCCO[C@H]1C 190195228 YBTBODRCJVRTEH-ONGXEEELSA-N 277.324 1.794 0 50 CDAA CC(C)O[C@@H]1CCN(c2nnc(-c3cccn3C)n2C)C1 576158845 DNWGYASXPVVHJN-GFCCVEGCSA-N 289.383 1.824 0 50 CDAA C=CC(=O)N[C@H]1CCO[C@@H]1c1ccnn1CC1CC1 585124680 MRVZLDYIPSSHKB-FZMZJTMJSA-N 261.325 1.425 0 50 CDAA CCOc1ccc(OCCn2ccn3c(=O)nccc23)cc1 585123053 RZSLGENRHXYEJW-UHFFFAOYSA-N 299.330 1.974 0 50 CDAA COCc1cccc(CC(=O)N[C@@H]2CC[C@@H]2COC)c1 1614415133 WVPPEAGGONVQHQ-HUUCEWRRSA-N 277.364 1.917 0 50 CDAA Cn1nccc1[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1N 1615588636 CLZVHIQMTFJVSQ-CHWSQXEVSA-N 276.384 1.254 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(N)=O)C2)c2c1CCC2 1616028888 WGHWVRSPLARFOB-NEPJUHHUSA-N 286.375 1.868 0 50 CDAA Cc1ccc([C@H]2CN(c3ccnc(N)n3)C[C@@H]2N(C)C)cc1 220112453 BCORIHNHFUBGKU-CABCVRRESA-N 297.406 1.901 0 50 CDAA CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@H](C(=O)O)C1 111473465 HHIJGVWAUSYIDM-AGIUHOORSA-N 283.368 1.905 0 50 CDAA CC[C@H](C)[C@H]1C(=O)N[C@@H](c2ccccc2)C(=O)N1C 224594953 BBPMMHGAJRELDN-DRZSPHRISA-N 260.337 1.731 0 50 CDAA COC[C@H]1CCCN(C(=O)c2ccc(C(=O)O)cc2)C1 224730418 JIWANGKMSJQYKU-NSHDSACASA-N 277.320 1.883 0 50 CDAA CCc1noc(NC(=O)c2cccn(C)c2=O)c1C 1529144045 FDZWLMGRDXEHBL-UHFFFAOYSA-N 261.281 1.496 0 50 CDAA COCCNC(=O)c1cc(Cl)c(OC)c(OC)c1 2870492 BMRGZYDJZJTWKI-UHFFFAOYSA-N 273.716 1.733 0 50 CDAA CN(C)c1nccnc1NCCC[C@@H]1CCOC1 1704345469 XRJURXFKNHZOSL-LLVKDONJSA-N 250.346 1.771 0 50 CDAA CC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@@H]2CNC[C@@H]21 212924152 QEPWXRVZTKBKAI-PWSUYJOCSA-N 291.395 1.470 0 50 CDAA COC1(CC(=O)N2CCCC[C@@H]2C(=O)O)CCC1 234571600 YFJKMZUXNYWRDI-SNVBAGLBSA-N 255.314 1.411 0 50 CDAA NC(=O)c1cnn(CCc2ccc(F)c(F)c2)c1 540860670 GMTCVPLJGVGJJN-UHFFFAOYSA-N 251.236 1.503 0 50 CDAA CC(C)CN(Cc1nn[nH]n1)C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1651182628 SUSSUHQDQMNAIX-URLYPYJESA-N 263.345 1.230 0 50 CDAA CC(C)Nc1cc(N2C[C@@H]3COCC[C@]3(CO)C2)ncn1 1772701281 MZBPFRKXACOENQ-IUODEOHRSA-N 292.383 1.132 0 50 CDAA COC[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1 19144242 GVLLDJGRUDLJPR-GFCCVEGCSA-N 277.368 1.646 0 50 CDAA COc1ccccc1CN1CCN(Cc2cc[nH]n2)CC1 19841031 ISVGNUMKDKLNFO-UHFFFAOYSA-N 286.379 1.736 0 50 CDAA COc1cc(C(=O)NCC2(CO)CCOCC2)ccc1F 151496020 QFRUUFQLEFLLOY-UHFFFAOYSA-N 297.326 1.353 0 50 CDAA C[C@H](C(=O)NCc1cccn2nccc12)n1ccnc1 1857704646 AKDOSFPZKVYANM-LLVKDONJSA-N 269.308 1.408 0 50 CDAA O=C(NCc1cc2ccccc2o1)[C@@H]1CCc2ncnn2C1 1857736559 MROZXQKBJGICCI-GFCCVEGCSA-N 296.330 1.903 0 50 CDAA CC[C@H](C)CC(=O)N1CCN([C@@H](C)C(=O)NC(C)C)CC1 225629819 CCJDANGJZKDFFN-KBPBESRZSA-N 297.443 1.480 0 50 CDAA CC1(C(=O)N[C@H]2CCOc3c(Cl)cccc32)CNC1 333866433 TUYGHOZIHMVEMF-NSHDSACASA-N 280.755 1.889 0 50 CDAA Cc1n[nH]c(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1Cl 248041525 TYMVIVCWXXLBND-ZJUUUORDSA-N 283.759 1.914 0 50 CDAA Cn1ccnc1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1 368429502 OKIMUKISXDCSKN-AWEZNQCLSA-N 284.363 1.856 0 50 CDAA CNS(=O)(=O)[C@H]1CCN(Cc2ccccc2C2CC2)C1 584908344 LBYRSFXOFQXINH-AWEZNQCLSA-N 294.420 1.688 0 50 CDAA O=S(=O)(Cc1cccc(F)c1)NCCc1cnoc1 907388170 HHEDFINMQWMYLY-UHFFFAOYSA-N 284.312 1.476 0 50 CDAA C1=C(c2c[nH]c3ccccc23)CCN(CCn2cnnn2)C1 933820343 MMAFJGTWASHNBK-UHFFFAOYSA-N 294.362 1.944 0 50 CDAA COc1cccn2ncc(C(=O)N[C@H]3CCCSC3)c12 934151549 AXVQLYKWECIQQM-JTQLQIEISA-N 291.376 1.968 0 50 CDAA O=C(c1cc2cccn2cn1)N(CCO)CC1CC1 934999532 FKBMZDAGVSFCOP-UHFFFAOYSA-N 259.309 1.179 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N1CCOC[C@@H]1CC(=O)O 235746432 MCDPQLFUNSRZAS-NSHDSACASA-N 297.738 1.964 0 50 CDAA CC(C)(C)OC(=O)N[C@](C)(Cc1ccccn1)C(=O)O 1857784714 APNQEFNNHRLCBE-CQSZACIVSA-N 280.324 1.992 0 50 CDAA COC(C)(C)CNC[C@@](C)(O)C(=O)OC(C)(C)C 952995735 XGIYNPGJSVGZCQ-CYBMUJFWSA-N 261.362 1.094 0 50 CDAA CC[C@H](O)Cn1cc(C(=O)Nc2ccc(C)cc2C)nn1 952993041 AGHIAQLBFXPWGD-LBPRGKRZSA-N 288.351 1.918 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cnc(C)nc1C1CC1 1875273461 ZDJYCWUOZBJSRB-ONEGZZNKSA-N 275.308 1.121 0 50 CDAA Cn1c(=N[C@@H](CCC(C)(C)C)C(N)=O)[nH]c2cnccc21 1875269409 SWKZSQYSOUSKRH-JTQLQIEISA-N 289.383 1.482 0 50 CDAA O=C(NCCc1nc(C2CC2)no1)N1CCCC1 1875269175 LIMYGWFEURDARW-UHFFFAOYSA-N 250.302 1.295 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC4(CCCO4)C3)n[nH]c21 1875395036 HVFVKOFHNCEZAP-ZJUUUORDSA-N 291.351 1.437 0 50 CDAA CC(C)CO[C@H]1CCN(C(=O)c2ccc(C(=O)O)o2)C1 236641593 JEERFUYVEIPCPF-JTQLQIEISA-N 281.308 1.865 0 50 CDAA C[C@@H]1NCCN(C(=O)C[C@H](O)c2ccccc2)[C@H]1C 888096873 UXQMATVNQFZIBY-OBJOEFQTSA-N 262.353 1.319 0 50 CDAA O=C(CC[C@@H]1CCOC1)NCc1n[nH]c2c1CCCC2 1775988274 ROMJWQWKQGJIMA-LLVKDONJSA-N 277.368 1.721 0 50 CDAA Fc1ccccc1N1CCN([C@@H]2CCCNC2)CC1 37746630 BXUAAQNMWXBKFT-CYBMUJFWSA-N 263.360 1.700 0 50 CDAA C[C@H]1CN(C(=O)COc2ccc(F)cc2Cl)CCN1 154998776 OHKLVMALAOZIIG-VIFPVBQESA-N 286.734 1.678 0 50 CDAA O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CNCCO1 43707524 KWHVORXERIMBAH-LLVKDONJSA-N 288.269 1.310 0 50 CDAA CC(C)n1ccc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1 172016226 KBMSDCPZJMIWMS-VXGBXAGGSA-N 287.429 1.717 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](O)CC1 294194132 RDTMBAJPXOMBDD-GFCCVEGCSA-N 287.356 1.670 0 50 CDAA Cc1nnc(CN2CCC3(CCNCC3)C2)s1 299791001 CGPDMIHPJKDBIQ-UHFFFAOYSA-N 252.387 1.422 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2N[C@@H]1CCOC1 400407051 RYTACOJJKPJTML-WISYIIOYSA-N 268.357 1.373 0 50 CDAA Cn1cnc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1 408007946 MCDKCBYLCXHWFG-SNVBAGLBSA-N 259.313 1.163 0 50 CDAA CC[C@]1(O)CCCN(S(=O)(=O)c2ccccc2C)C1 632666255 PCRSBQJGIVEVIU-AWEZNQCLSA-N 283.393 1.921 0 50 CDAA COc1ccnc(CN2CC[C@](F)(CO)C2)c1OC 338596208 VXMLIGKDZZEYLT-CYBMUJFWSA-N 270.304 1.005 0 50 CDAA NCC1(O)CCN(c2ncc(Cl)cc2Cl)CC1 397047173 WGYRYKTVUOLFNZ-UHFFFAOYSA-N 276.167 1.678 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]2NCC(F)(F)[C@@H]2C1 616568948 JDVNFFNXDUWBPN-RKDXNWHRSA-N 262.300 1.851 0 50 CDAA CCn1nccc1CNC1CCC(OCC(=O)O)CC1 2325773272 DSEPCRGZYMQOOH-UHFFFAOYSA-N 281.356 1.405 0 50 CDAA O=C(O)[C@@H]1C=CCCN1C(=O)[C@H](CO)c1ccccc1 2325788546 NWFAWJLHXZUSSH-OLZOCXBDSA-N 275.304 1.004 0 50 CDAA OC[C@@H]1C[C@H]2CN(c3cc(OCC4CC4)ncn3)[C@H]2C1 2325806041 ODMQCORFYOZMLW-AGIUHOORSA-N 275.352 1.473 0 50 CDAA C[C@H](N)C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1 2325809234 TWXLRWFQHZLVEH-QMMMGPOBSA-N 280.759 1.612 0 50 CDAA CC(C)c1cc(C(=O)NCc2cc(=O)c(O)co2)n(C)n1 1420389684 QBJXMBQGPARCIE-UHFFFAOYSA-N 291.307 1.132 0 50 CDAA CNC(=O)c1cccn2cc(CN3CCCC3)nc12 2332239536 GEDYPKPNUVQKAW-UHFFFAOYSA-N 258.325 1.290 0 50 CDAA O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1 61051 QDRKIFVTZFDQDJ-UHFFFAOYSA-N 266.256 1.628 0 50 CDAA O=S(=O)(Nc1cccnc1)c1ccc2c(c1)OCCO2 126558 GRFWQYYCJZWWQT-UHFFFAOYSA-N 292.316 1.654 0 50 CDAA aggregator OCCN1CN=C(SCc2ccccc2)NC1 180372 CYXBIMKIAYKHPQ-UHFFFAOYSA-N 251.355 1.088 0 50 CDAA COC(=O)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 205299 KCFVGPBYSHTOJY-MUWHJKNJSA-N 266.219 1.866 0 50 CDAA OCCN(CCO)Cc1c(Cl)cccc1Cl 278234 QIMUCXFTOYIWIQ-UHFFFAOYSA-N 264.152 1.780 0 50 CDAA COc1ccc(CNC(=O)c2nc3ncccn3n2)cc1 338919 WZODUUMSDRYXEZ-UHFFFAOYSA-N 283.291 1.063 0 50 CDAA CC(=O)Nc1nc(C)nc(-c2ccccc2OC(C)=O)n1 391077 PVNKQRYWFTWRKX-UHFFFAOYSA-N 286.291 1.731 0 50 CDAA Cc1cc(C)cc(N2CN=C3SCC(=O)N3C2)c1 1127876 JWYDEQVMWSBMTK-UHFFFAOYSA-N 261.350 1.970 0 50 CDAA O=C(CNCC(=O)Nc1ccccc1)Nc1ccccc1 1712471 YSLNFEXMCPEDQO-UHFFFAOYSA-N 283.331 1.853 0 50 CDAA COc1cc2cc(C(=O)O)n(C)c2c(OC)c1OC 2083406 RJCPLLGBXJTSSD-UHFFFAOYSA-N 265.265 1.902 0 50 CDAA biogenic O=C(O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 3284901 LXTCNNVZBLXVHR-UHFFFAOYSA-N 294.332 1.866 0 50 CDAA Cc1nnc(CN2CCC[C@@]23CCCNC3=O)s1 2356147388 UEXROBMNJPNDHB-GFCCVEGCSA-N 266.370 1.091 0 50 CDAA Cc1c(C(=O)OC(C)C)sc2nc[nH]c(=O)c12 8773001 QIWZIGAHASAKRG-UHFFFAOYSA-N 252.295 1.858 0 50 CDAA Cn1c(=O)[nH]c(=O)c2c(-c3ccc(F)cc3)ccnc21 9306114 AMCZKRIGPFTTAE-UHFFFAOYSA-N 271.251 1.428 0 50 CDAA CCS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1 54991880 FRCOEEKFBJINHB-UHFFFAOYSA-N 294.420 1.121 0 50 CDAA CN1CCN(C(=S)C(=O)Nc2ccc(Cl)cc2)CC1 20500077 ZDYSDAZBEFXTBS-UHFFFAOYSA-N 297.811 1.853 0 50 CDAA CCc1nnc(NC(=O)N[C@H]2CCO[C@@H]2C)s1 136354695 SWIFTXXFEBUCOK-RQJHMYQMSA-N 256.331 1.399 0 50 CDAA CCc1cc(C(=O)N2CCN(c3ccncc3)CC2)on1 20993777 MYDJOUAVNSLKNI-UHFFFAOYSA-N 286.335 1.594 0 50 CDAA Cc1cnc(C(=O)N2CCn3cccc3[C@@H]2C)cn1 29379143 TZJHIHFEGTWNJM-NSHDSACASA-N 256.309 1.804 0 50 CDAA O=C(Nc1ccccc1O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 170594171 ZSIOTNRWXQEMDQ-WTTBSCSTSA-N 273.288 1.854 0 50 CDAA c1ccc([C@H](c2nc(C3CC3)n[nH]2)n2cnnn2)cc1 65405376 QKBPYFCOEPRTHS-LLVKDONJSA-N 267.296 1.306 0 50 CDAA Cc1cnc(N(C)Cc2nncn2C(C)C)nc1N(C)C 65374094 NDBSULKFNRKJEK-UHFFFAOYSA-N 289.387 1.660 0 50 CDAA Cc1nc(CCN)cc(N(C)C[C@@]2(C)CCN(C)C2)n1 67754559 SDRLXPYHSXNDFN-HNNXBMFYSA-N 277.416 1.064 0 50 CDAA COc1cc(N2CCC[C@H](CCN)C2)nc(OC)n1 32560958 AUWFVXNLQUDNEB-SNVBAGLBSA-N 266.345 1.059 0 50 CDAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)C=C1CCCCC1 281753435 IAWJHMHRIJKKPZ-PWSUYJOCSA-N 250.342 1.660 0 50 CDAA CN(Cc1cccc2ncccc12)C(=O)CCn1cnnn1 77505817 YXVHLRWDASJBNN-UHFFFAOYSA-N 296.334 1.270 0 50 CDAA C[C@@H](O)C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 71748118 NVTJLUYTFIOYMR-SECBINFHSA-N 289.310 1.481 0 50 CDAA CCOc1ncccc1C(=O)N1CC[C@@H](COC)C1 219330755 NIJJLVDCMWUEMI-LLVKDONJSA-N 264.325 1.589 0 50 CDAA Cc1ccnc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 359303286 PJBJVLFCTDVKRZ-BFHYXJOUSA-N 262.353 1.756 0 50 CDAA Cc1nscc1C(=O)N(C)C[C@H]1CCc2nccn2C1 328627964 NFXTXYLJRNZBIQ-LLVKDONJSA-N 290.392 1.983 0 50 CDAA O=C(N[C@@H](Cc1ccccn1)C(=O)O)C1CCCC1 257711059 SUWHFXNSBPDNCJ-LBPRGKRZSA-N 262.309 1.384 0 50 CDAA Cc1cc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)ccc1F 258606182 ABLIUDSQWGTCFM-UWVGGRQHSA-N 251.257 1.471 0 50 CDAA Cn1nnc(CN[C@H]2CC3(CCC3)Oc3ccccc32)n1 365357775 MSWPULFFRRQCFT-LBPRGKRZSA-N 285.351 1.746 0 50 CDAA O=C(CNCC(F)(F)F)N1CCC[C@@]2(CCSC2)C1 456887201 YOKKWMFWUGGBQE-LLVKDONJSA-N 296.358 1.884 0 50 CDAA O=C(c1conc1C1CC1)N1CC[C@H](N2CCOCC2)C1 366696628 FEYOEDFBMZIAFT-LBPRGKRZSA-N 291.351 1.099 0 50 CDAA O=C(O)C[C@H]1CNCCN(c2nc3ccccc3s2)C1 71763294 QQIIVRRKTQFNBA-JTQLQIEISA-N 291.376 1.797 0 50 CDAA CCN(CCCN1CCCC1)C(=O)c1cccc(O)n1 286389165 CSKAMGJWWYZJQY-UHFFFAOYSA-N 277.368 1.735 0 50 CDAA CCc1nc(N2CCC3(CC2)CNC(=O)C3)ncc1C 77420896 VKJSXAIJMVCUTJ-UHFFFAOYSA-N 274.368 1.454 0 50 CDAA CNCCNC(=O)c1csc(-c2ccc(C)o2)n1 237129698 YFLHGCGJVLVGDV-UHFFFAOYSA-N 265.338 1.661 0 50 CDAA CO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H]1CCO[C@@H]1C1CC1 333563129 OKYPODAZIMHBGG-RGCMKSIDSA-N 283.368 1.112 0 50 CDAA O=C1NCCN(C(=O)c2cn[nH]c2)[C@H]1CC1CCCCC1 333747548 NFYHEWIOUPZQTK-ZDUSSCGKSA-N 290.367 1.321 0 50 CDAA C[C@@H](Cc1cnccn1)n1ccnc1-c1nccn1C 72168102 TYVLBKNGOCQSEJ-NSHDSACASA-N 268.324 1.877 0 50 CDAA Cc1cn(CCNc2ccnc(C(=O)NC(C)C)c2)nn1 72144764 DBDGIYWUUNVCKI-UHFFFAOYSA-N 288.355 1.232 0 50 CDAA CN(C)C/C=C/C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 493301167 JKSUKNGREFPCDS-BQYQJAHWSA-N 278.400 1.783 0 50 CDAA C[C@H](N[C@H]1CCC(=O)NC12CCC2)C1CCOCC1 374809277 PGLLPFXQRVZCFH-AAEUAGOBSA-N 266.385 1.592 0 50 CDAA COCCCn1nccc1CN1CC(F)(F)C[C@H]1CO 374995428 PFIGEPUAMIYRLO-LBPRGKRZSA-N 289.326 1.122 0 50 CDAA O=C(O)C[C@H]1CCCN1C(=O)C[C@H](O)c1cccc(F)c1 262835089 BPZNPNZYUXLKBK-OLZOCXBDSA-N 295.310 1.715 0 50 CDAA CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](N)C2)[C@@H](C)C1 262670352 NLRHAMHFAWGMPF-CRWXNKLISA-N 267.417 1.303 0 50 CDAA O=C(O)[C@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 159137229 RIPNCKRDHSKTMR-YFKPBYRVSA-N 281.259 1.858 0 50 CDAA O=C1[C@@H](N2CC(O)(C3CC3)C2)CCN1c1ccccc1 335881760 XQADGGTWBMCTML-AWEZNQCLSA-N 272.348 1.249 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@@H](C(=O)O)CC[C@@H]1C 263118313 FAHWKAWMIDRGMP-CYDGBPFRSA-N 299.367 1.282 0 50 CDAA Nc1ncnc2[nH]cc(I)c12 44832042 KLKWCKQHBCUTCL-UHFFFAOYSA-N 260.038 1.145 0 50 CDAA Cc1cnccc1NCCNC(=O)c1cccc(N)n1 221256378 LKSNJXWUEXPTRZ-UHFFFAOYSA-N 271.324 1.209 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@H]2COc3ccccc32)n1 220604492 SPSBGARRSPCPMM-NSHDSACASA-N 272.308 1.024 0 50 CDAA O=C(NCc1cccc(F)c1)N1CCN2C(=O)OC[C@@H]2C1 426430636 GWVCZUWJGFPCRR-LBPRGKRZSA-N 293.298 1.172 0 50 CDAA CCOCC(=O)N[C@H](C(=O)O)c1cccc(C)c1 223938588 OYPFXTPKGLTJOF-LBPRGKRZSA-N 251.282 1.273 0 50 CDAA Cc1cn2cc(C(=O)N[C@@H](C)Cn3cncn3)ccc2n1 82139000 QEGZHVXKFQRHIF-NSHDSACASA-N 284.323 1.053 0 50 CDAA Cc1cccc([C@H](NC(=O)CN2CCCC2)C(=O)O)c1 426606745 MSTNFZKSIOSSCD-AWEZNQCLSA-N 276.336 1.333 0 50 CDAA Cc1cc(CC(=O)N(C)CCCn2cccn2)on1 223195632 AKOYUDIDGWVKHJ-UHFFFAOYSA-N 262.313 1.271 0 50 CDAA Cn1cccc1C(=O)NCCc1noc([C@H]2CCCO2)n1 220585374 VBYVBTZLQWSTML-LLVKDONJSA-N 290.323 1.232 0 50 CDAA C[C@@H]1C[C@@H](Cn2nc(-c3cnn(C)c3)ccc2=O)CCO1 329772192 HHYSOHUODZIGRM-NEPJUHHUSA-N 288.351 1.459 0 50 CDAA CC(C)(C)c1csc(CNC(=O)c2cnc(O)cn2)n1 220152050 VVHRCPWSLOCKDY-UHFFFAOYSA-N 292.364 1.866 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(C)nc1C 223168986 CADQNAJXYJRUMG-YJNKXOJESA-N 290.363 1.478 0 50 CDAA COCCCNC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1 426581077 ZXWORHMNKCUKDI-ZDUSSCGKSA-N 279.384 1.999 0 50 CDAA Cc1nn(C)c(C(=O)N(C)CCc2ncon2)c1Cl 426434417 FVZFKNRDVFRFAD-UHFFFAOYSA-N 283.719 1.080 0 50 CDAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 147761903 BHOJIKSQYLVZHD-BDAKNGLRSA-N 287.312 1.117 0 50 CDAA CC(C)(C)n1ccc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1 426477917 AQXHSBJHSROAEC-LLVKDONJSA-N 280.324 1.169 0 50 CDAA COCCCN1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 91440208 IRPPIMAGEKBTTA-AWEZNQCLSA-N 276.380 1.686 0 50 CDAA CCc1ncc(C(=O)NCCCNc2cccnc2)cn1 95378067 WYRJTOARWLFJIJ-UHFFFAOYSA-N 285.351 1.666 0 50 CDAA CSCC[C@H](NC(=O)c1ccnc(C(C)C)n1)C(=O)O 426589969 LSDXBRRMYYOSJK-JTQLQIEISA-N 297.380 1.536 0 50 CDAA COC(=O)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 96028582 NOQTWYNNHUDNNQ-SECBINFHSA-N 259.302 1.043 0 50 CDAA Cc1cccc(CN2CCC(O)(Cn3ccnc3)CC2)n1 97819626 XJGMAVKGIWBXKB-UHFFFAOYSA-N 286.379 1.614 0 50 CDAA CCc1cc(N[C@@H](COC)c2ccnn2C)ncn1 95360367 HNHZSIUNQVRJTB-NSHDSACASA-N 261.329 1.572 0 50 CDAA COCCCNC(=O)[C@H](c1ccc(F)cc1)N(C)C 95365940 VMWNVCKPOYGTLU-ZDUSSCGKSA-N 268.332 1.581 0 50 CDAA CCCn1ncc(C(=O)NC[C@@H](C)C(=O)O)c1C 95525745 SFULMROUQRSHIU-MRVPVSSYSA-N 253.302 1.052 0 50 CDAA CCCn1ncc(C(=O)NCCn2cccc2)c1C 91769771 NTTOAFOBMFMEEN-UHFFFAOYSA-N 260.341 1.833 0 50 CDAA Cc1nn(CCNC(=O)COC[C@H]2CCCO2)c(C)c1C 243901318 BBGQNHYSMJUPIL-CQSZACIVSA-N 295.383 1.120 0 50 CDAA O=c1ncc(Br)cn1C1CCOCC1 606242796 QGNUIZZGTWUUDR-UHFFFAOYSA-N 259.103 1.357 0 50 CDAA COc1cccc2c(N3CC(=O)N[C@H](C)C3)ccnc12 295829517 VZLOOXYNDRGAEA-SNVBAGLBSA-N 271.320 1.568 0 50 CDAA O=C(C[C@H]1CCOC1)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 621614329 CXUMPHOMQGWXPU-LALPHHSUSA-N 281.352 1.516 0 50 CDAA CN1CCN(Cc2ccc3ccccc3n2)C[C@H]1CCO 257371990 PJGBYORCFDGMPZ-MRXNPFEDSA-N 285.391 1.733 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)CCn1ccnc1 534642874 BXVWJFGTZPFESB-NSHDSACASA-N 276.344 1.152 0 50 CDAA Cc1nnc(NCC2(CN3CCN(C)CC3)CC2)s1 534675023 HOTPKNGUKGTQNT-UHFFFAOYSA-N 281.429 1.286 0 50 CDAA COc1cc(Cl)ccc1S(=O)(=O)n1cncn1 261490613 OULUCGZNNQAFMF-UHFFFAOYSA-N 273.701 1.177 0 50 CDAA Cc1[nH]c(=N)[nH]c(=NCC[C@H]2CCCN(C)C2)c1Cl 534662465 QSTHTJYRDWASPO-SNVBAGLBSA-N 283.807 1.417 0 50 CDAA OC[C@H]1CCCN(Cc2ccc3c(c2)CNCCO3)C1 299801724 YMTFPDFZSOIGFC-AWEZNQCLSA-N 276.380 1.373 0 50 CDAA CCc1nc(C)c(CNC(=O)Cc2cncnc2O)s1 299788887 WWWSTIVUMBLCEN-UHFFFAOYSA-N 292.364 1.368 0 50 CDAA c1ccn2cc(CCN[C@@H]3CN4CCC3CC4)nc2c1 584895978 HXRADYOAMWPOHC-OAHLLOKOSA-N 270.380 1.561 0 50 CDAA COc1ccc2ncn(CC3CCOCC3)c(=O)c2c1 584900713 RFKBMDPXMOSBIU-UHFFFAOYSA-N 274.320 1.832 0 50 CDAA O=C([C@@H]1CC12CCC2)N1CCN(CC(F)(F)F)CC1 670452569 VRJZLHKZWBYPHX-JTQLQIEISA-N 276.302 1.883 0 50 CDAA CCOc1ccc([C@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 670416205 ZFABVHMZCWTQFI-SNVBAGLBSA-N 299.334 1.514 0 50 CDAA CSCC(=O)N1CCC[C@H](CNC(=O)C2CCCC2)C1 952987347 KKRPGLYVWKYWDW-GFCCVEGCSA-N 298.452 1.894 0 50 CDAA COc1cnc(I)c(OC)c1 66054388 HBBYKQXHHLOOCA-UHFFFAOYSA-N 265.050 1.703 0 50 CDAA in-vitro Cn1ccc2cc(CNCc3nc(O)n[nH]3)ccc21 952866997 IHILVJSUGGLPQI-UHFFFAOYSA-N 257.297 1.292 0 50 CDAA Cc1cccc([C@@H](C(=O)NCCn2ccnn2)N(C)C)c1 952990029 UIBMFCGPAAUKLK-AWEZNQCLSA-N 287.367 1.006 0 50 CDAA COc1cc(N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)nc(N)n1 71751415 UAQILQLIVHGLCI-DTIDVZRVSA-N 260.341 1.550 0 50 CDAA Cc1cc(C)n(-c2cccc(CNCc3nc(O)n[nH]3)c2)n1 952866977 HQRQNLQULTUWEV-UHFFFAOYSA-N 298.350 1.603 0 50 CDAA C[C@H]1CN(C(=O)CCc2ccccn2)C[C@]1(O)C1CC1 1565527759 KBTUTMSINMHJCD-BLLLJJGKSA-N 274.364 1.634 0 50 CDAA N[C@H]1C[C@@H](C(=O)N2CCC(Oc3cccc(F)c3)CC2)C1 638462544 VOCXWVXGKDMEFR-BJHJDKERSA-N 292.354 1.933 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)N1Cc2nc(C)nc(O)c2C1 636287141 YUGQDKDZESWBAJ-GXFFZTMASA-N 291.351 1.538 0 50 CDAA C[C@H](NC(=O)N(C)C[C@@H]1CCCC[C@H]1O)c1cn[nH]c1 272621058 UNFYPPZFOKULIA-GMXVVIOVSA-N 280.372 1.663 0 50 CDAA Cc1nscc1C(=O)NC[C@@H]1CCc2nccn2C1 275463896 XLULFAULOFLDRO-JTQLQIEISA-N 276.365 1.640 0 50 CDAA Nc1ncnc(N2CC[C@@H](Oc3ccncc3)C2)c1Cl 302059710 SILGAHKEYSAGRL-SNVBAGLBSA-N 291.742 1.765 0 50 CDAA Cc1nnc(S[C@@H]2CCN(C3CCOCC3)C2=O)s1 408316855 UAAQRBLEVPOUGA-SNVBAGLBSA-N 299.421 1.719 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)NCc1cccnc1N(C)C 188677570 KLXHLTNEGPGTED-DGCLKSJQSA-N 277.368 1.579 0 50 CDAA Cn1cncc1CNC[C@H]1CCO[C@@H]1C(C)(C)C 189235075 DVPQLBVPBLZLDD-YPMHNXCESA-N 251.374 1.961 0 50 CDAA O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccnnc1 190264881 BYMBNWIXPRZVRW-ZFWWWQNUSA-N 283.331 1.984 0 50 CDAA COCc1ccsc1C(=O)N1CCC[C@@H](C(=O)O)C1 190476985 PORULWSSKAGRLP-SECBINFHSA-N 283.349 1.831 0 50 CDAA COc1cc(CNC2(C(N)=O)CC2)c2c(c1)C[C@@H](C)O2 191484692 ZQMIUJVEJXPPQV-SECBINFHSA-N 276.336 1.126 0 50 CDAA CC[C@H](C(=O)O)N1CCN(C[C@H](O)c2ccccc2)CC1 191432052 DVISROCDCBJAIA-CABCVRRESA-N 292.379 1.201 0 50 CDAA O=C(NC1CCN(CC2CC2)CC1)c1ncc(F)cc1F 191952966 QZCCGOQFUPZNRY-UHFFFAOYSA-N 295.333 1.964 0 50 CDAA Cc1ncc(CN[C@H]2CCO[C@@H]2c2cccnc2)n1C 566496715 LUUMOIIVFVCLOF-LSDHHAIUSA-N 272.352 1.743 0 50 CDAA C[C@H]1OCC[C@@]12CN(c1cc(CO)c(F)cn1)CCO2 663860955 SEOGZQWAWDHWPC-QMTHXVAHSA-N 282.315 1.097 0 50 CDAA O=C(N[C@]12CCC[C@H]1NCC2)c1cccc2c1CCN2 1615548065 QLLRRQINSKWMDE-ZBFHGGJFSA-N 271.364 1.669 0 50 CDAA COc1ccc(CCn2nnnc2N2CCCC2)cc1F 1616035850 AHFQUVDNKMZQIK-UHFFFAOYSA-N 291.330 1.664 0 50 CDAA O=C(O)[C@H]1c2sccc2CCN1C(=O)O[C@H]1CCOC1 1616039927 ZLVWLQLTGHMCKQ-VHSXEESVSA-N 297.332 1.657 0 50 CDAA C[C@@](C[C@@H]1CCOC1)(C(=O)O)n1cc(C2CC2)cn1 1776007184 WLROQFJBDMEHCU-IINYFYTJSA-N 264.325 1.987 0 50 CDAA Cn1ccnc1C(=O)NCc1ccc(-c2ncon2)cc1 1506395965 FKCCWAFLDIOGOB-UHFFFAOYSA-N 283.291 1.400 0 50 CDAA CCNC(=O)[C@H]1CCN(c2ccc(Cl)cn2)C1 1506400445 VRFZLIVLNSMMIM-VIFPVBQESA-N 253.733 1.697 0 50 CDAA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCOCC1 47625 YGGASQPEKIGCKJ-DUXPYHPUSA-N 261.277 1.287 0 50 CDAA O[C@@H]1CN(Cc2ccoc2)C[C@H]1Cc1ccccn1 1529180218 DMZDSCAXBSUIQY-UKRRQHHQSA-N 258.321 1.710 0 50 CDAA COC(=O)[C@H]1CCc2nnc(CC3CCCC3)n2C1 601045164 SIHHIRXGZVSHQI-NSHDSACASA-N 263.341 1.746 0 50 CDAA C[C@H]1CN(c2ccc(-c3nccn3C)nn2)C[C@]1(O)C1CC1 213346659 QJFKTLCNRXSKMP-MEDUHNTESA-N 299.378 1.474 0 50 CDAA Cc1csc(NC(=O)CS[C@@H]2CCNC2=O)n1 225689941 UFJRXEZVHPHITG-SSDOTTSWSA-N 271.367 1.012 0 50 CDAA COc1cccnc1N(C)C(=O)[C@@H]1CCCCO1 121411242 VMNKDSPGWISWRJ-NSHDSACASA-N 250.298 1.622 0 50 CDAA Cc1cc(CC(=O)N2CCCC[C@@H]2[C@H](C)N)no1 237540328 YTKARWALZJBZIX-CMPLNLGQSA-N 251.330 1.254 0 50 CDAA CCn1ncnc1[C@@H](C)Nc1ccc(C(=O)N(C)C)cn1 1704277906 NOYPLZNHJMBTMV-SNVBAGLBSA-N 288.355 1.568 0 50 CDAA CSCc1ccc(C(=O)N2CC[C@](C)(O)[C@H](O)C2)o1 247553018 WJYLVCXMQIVYMB-YPMHNXCESA-N 285.365 1.100 0 50 CDAA Oc1ccc([C@H]2CN(c3cnccn3)CCN2)cc1 1612845178 WXOQOVIJSNAFKX-CYBMUJFWSA-N 256.309 1.333 0 50 CDAA CCc1noc(C)c1C(=O)N(CCO)Cc1cnc(C)[nH]1 1704327340 CMIMBJHNYRYCAA-UHFFFAOYSA-N 292.339 1.212 0 50 CDAA O=C(NC[C@H]1CCCO1)c1ccc2c(c1)OCCO2 13582463 HCHQPZHINASMLD-LLVKDONJSA-N 263.293 1.367 0 50 CDAA CN(C)Cc1nnc(N(C)CCN(C)C2CCCC2)o1 1772710593 YHGYKNCTNLXALW-UHFFFAOYSA-N 281.404 1.442 0 50 CDAA CC1CCN(CCN(C)C[C@H]2CCC(=O)N(C)C2)CC1 1775981605 BEIVFXOZKOWNRE-OAHLLOKOSA-N 281.444 1.519 0 50 CDAA Cc1ncc(-c2nnc3n2CCSCC3)c(C)n1 1775984579 ZZHCEGVLILRCGA-UHFFFAOYSA-N 261.354 1.641 0 50 CDAA CC(C)(C)n1ccc(C(=O)N2CCOC[C@H](C(=O)O)C2)c1 1772805682 PHYWRPYKCKWJBN-GFCCVEGCSA-N 294.351 1.416 0 50 CDAA Cc1nsnc1C(=O)NCCN1CCCC[C@@H]1C 1775982855 FLXFRAZPOSNUHO-VIFPVBQESA-N 268.386 1.451 0 50 CDAA COc1ccc(OC)c(CN2CCN(C)CC2)c1 19359130 ZXZHTPATOFDCDJ-UHFFFAOYSA-N 250.342 1.451 0 50 CDAA OCCNc1c(I)ccnc1Cl 1775991087 PFXBSYMRIBUJFA-UHFFFAOYSA-N 298.511 1.744 0 50 CDAA COc1ccc(N2C[C@@H](C(=O)NC(C)(C)C)CC2=O)cc1 5060837 KMEMLRWSQGOISX-NSHDSACASA-N 290.363 1.963 0 50 CDAA CN(C(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 11690363 YZKPBWWLVYYFNI-UHFFFAOYSA-N 279.303 1.939 0 50 CDAA Cc1occc1C(=O)NCc1cccnc1N(C)C 11813913 ONKXGOABVWAUKM-UHFFFAOYSA-N 259.309 1.979 0 50 CDAA COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 12383556 BWVSYURCDIQVIY-QMMMGPOBSA-N 293.772 1.662 0 50 CDAA Cc1noc(-c2ccc(N[C@H]3CCCCNC3=O)nc2)n1 15068661 KDMKTVJULSXYNY-NSHDSACASA-N 287.323 1.521 0 50 CDAA Cc1ccccc1NC(=S)NCCN1CCOCC1 19883231 LXWNDYGWNFIYBG-UHFFFAOYSA-N 279.409 1.614 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCCC1=CCCCC1 169304360 DHYQIKJQFFCKFX-YIYPIFLZSA-N 291.347 1.647 0 50 CDAA COc1ccc(-c2cc3n(n2)[C@H](NC2CC2)CNC3=O)cc1 169754485 IKDAMBPMPYWORA-HNNXBMFYSA-N 298.346 1.553 0 50 CDAA O=C(C1CCOCC1)N1CCO[C@H](c2cccnc2)C1 1857707025 WRHPIDAVNZOHCB-AWEZNQCLSA-N 276.336 1.408 0 50 CDAA CNC(=O)C1(C(=O)Nc2cc(C(=O)O)ccc2C)CC1 120215028 PYLKIUPCXXZTGX-UHFFFAOYSA-N 276.292 1.158 0 50 CDAA C[C@H]1CN(C(=O)CC[C@H](N)c2ccccc2)C[C@@H](C)N1 153406700 NNGBRDKTYSUVSJ-GUTXKFCHSA-N 275.396 1.675 0 50 CDAA COC[C@H](O)CN1CCC(C(=O)N2CCCCCC2)CC1 125914709 XBZTXGSBPFZBLR-OAHLLOKOSA-N 298.427 1.108 0 50 CDAA CN(C)c1cccc(CNC(=O)N2CCC[C@]2(C)CO)c1 128435990 SLDMTVZLPYJCOC-MRXNPFEDSA-N 291.395 1.809 0 50 CDAA NC(=O)c1ccccc1Oc1ncccc1C(=O)O 19275504 RLPBZHNPAOMDKT-UHFFFAOYSA-N 258.233 1.671 0 50 CDAA in-vitro O=C(c1cc(C2CC2)[nH]n1)N1CCN[C@H](c2ccncc2)C1 367082761 ANCMFJPKTUFJNF-HNNXBMFYSA-N 297.362 1.469 0 50 CDAA COC[C@](C)(CC(=O)O)NC(=O)c1cscc1C 237106664 YFXKOZPWISOQKB-LBPRGKRZSA-N 271.338 1.666 0 50 CDAA CCc1cccc(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O)n1 1875271038 VNEZPHRIIQPFAV-PJQZNRQZSA-N 288.347 1.873 0 50 CDAA CC(C)[C@@]1(CO)CCN(c2ccc(-n3ccnc3)nn2)C1 1875260460 XYTICZHJTLYKST-HNNXBMFYSA-N 287.367 1.507 0 50 CDAA O=S1(=O)CCC(=Cc2cnc3[nH]ccc3n2)CC1 1875319588 JJRHPQOYKZVRMZ-UHFFFAOYSA-N 263.322 1.550 0 50 CDAA C[C@H]1N(C[C@@H](O)CC2(c3nn[nH]n3)CC2)CCC1(C)C 1875330852 FIMUAVFZUXFOBY-MNOVXSKESA-N 279.388 1.103 0 50 CDAA C[C@@H]1Cc2c(cccc2-c2ccc(=O)n(C)c2)C(=O)N1 1875313932 YQJQSTCKZXKDKL-SNVBAGLBSA-N 268.316 1.727 0 50 CDAA CN1C(=O)C[C@@H](CNCc2cccn2C)[C@@H]1c1ccncc1 886041226 CXVNUAKMVPEPNL-YOEHRIQHSA-N 298.390 1.729 0 50 CDAA N[C@H]1CN(C(=O)Cc2ccc3c(c2)NCC3)CC12CCC2 1775962474 MVFHOJSCPWJGJZ-HNNXBMFYSA-N 285.391 1.537 0 50 CDAA NC[C@H]1CCCCN1C(=O)c1cccc2cn[nH]c12 237957964 WEASEYWZWGECSN-LLVKDONJSA-N 258.325 1.516 0 50 CDAA CCC1(C(=O)N2CCN([C@H]3CCNC3)CC2)CCCC1 261740932 MAFTXVVPHVOUAK-AWEZNQCLSA-N 279.428 1.463 0 50 CDAA C[C@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1 268978506 LVKUTIITEBMYPW-YPMHNXCESA-N 277.320 1.492 0 50 CDAA O=C(c1ccc(Cl)cn1)N1CCC(F)(F)[C@@H](CO)C1 291348625 WBZXPTHFPKJSPJ-MRVPVSSYSA-N 290.697 1.825 0 50 CDAA CS(=O)(=O)c1ccc([C@@H]2NCCc3[nH]cnc32)cc1 67974838 MXELOOATFZLEIV-LBPRGKRZSA-N 277.349 1.048 0 50 CDAA CN1C[C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@H]2C1 193616537 CQBJFBAQXHSYON-OKILXGFUSA-N 274.364 1.451 0 50 CDAA CCO[C@H]1C[C@H](NCc2nnnn2C)C12CCCCC2 328586771 MDYLCIQOJMYXOF-RYUDHWBXSA-N 279.388 1.428 0 50 CDAA CCC(CC)(CNC(=O)[C@]12CCC[C@H]1OCC2)C(=O)O 630149003 DGBYAYQSQLKEQK-ABAIWWIYSA-N 283.368 1.953 0 50 CDAA O=C1OC[C@@H]2CN(Cc3ccc4c(c3)CCO4)CCN12 371988808 WFHJATXUOFTDOK-ZDUSSCGKSA-N 274.320 1.258 0 50 CDAA CC(C)(C)c1noc(Cn2cc(S(C)(=O)=O)cn2)n1 901606103 ACVHLJMZNYZPRA-UHFFFAOYSA-N 284.341 1.015 0 50 CDAA O[C@H](CN1CCC[C@@H]([C@@H]2CCOC2)C1)c1cccnc1 828449537 WIMJUOURLQAHOZ-BZUAXINKSA-N 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KAGUAUYXFPDMAT-JSGCOSHPSA-N 281.356 1.156 0 50 CDAA c1cnn(CC2CCN(Cc3ccn4ncnc4c3)CC2)c1 2356169727 XLVXGZMIQVQILH-UHFFFAOYSA-N 296.378 1.838 0 50 CDAA COC(=O)[C@@H]1[C@@H](C(C)C)N(c2ccccc2)O[C@]1(C)O 4018065 AKRXFMFKOIECJQ-GUTXKFCHSA-N 279.336 1.961 0 50 CDAA CCCOc1ccc(S(=O)(=O)n2ccnc2)cc1 6700567 LYQJXJJPQBWPQS-UHFFFAOYSA-N 266.322 1.909 0 50 CDAA COc1cccc(SCC(=O)NC[C@H]2COCCO2)c1 55848018 KULBNPMOVQSCIO-LBPRGKRZSA-N 297.376 1.319 0 50 CDAA CC[C@H](O)C1CCN(C(=O)Nc2nc(C)ns2)CC1 55227340 GOLPRFFRAQAJFM-JTQLQIEISA-N 284.385 1.861 0 50 CDAA NC(=O)[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc21 113147081 KBPCLFLFPVERJC-VXGBXAGGSA-N 274.320 1.029 0 50 CDAA COc1ccc(CN2C[C@@H](F)C[C@H]2CO)c(OC)c1 344836857 VZYISKCLCDMXTM-RYUDHWBXSA-N 269.316 1.609 0 50 CDAA O=C(O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 103075916 MRGAEXCMDNFHJM-KKOKHZNYSA-N 287.271 1.052 0 50 CDAA Cc1nc[nH]c1C(=O)NCC[C@H]1CN(CC(C)C)CCO1 67869177 QLBYHAJKSAFJSQ-ZDUSSCGKSA-N 294.399 1.195 0 50 CDAA Cc1cc(C)n(C[C@@H]2CCCN2[C@H]2C[C@H](C)OC2=O)n1 247843185 QYOVJOHJUIVVJG-IHRRRGAJSA-N 277.368 1.668 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCc2n[nH]c3c2CCC3)n1 67743081 YVCQDDOWOYOPJL-NSHDSACASA-N 273.384 1.890 0 50 CDAA Cc1ccc(N2C(=O)C[C@H](N3CCSCC3)C2=O)cc1 20807313 PKCUOQRLLLRDJN-ZDUSSCGKSA-N 290.388 1.676 0 50 CDAA CCN(CC(=O)OC)C(=O)c1cnn(C(C)C)c1C 330651755 XZJAMGGQWVXNAB-UHFFFAOYSA-N 267.329 1.408 0 50 CDAA COc1cc2ccn(CCC3OCCO3)c(=O)c2cc1F 120305943 HTUKWYOBMYLJKO-UHFFFAOYSA-N 293.294 1.912 0 50 CDAA COCCOCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 230084452 LYQLDMNFXJDXMA-FRRDWIJNSA-N 255.358 1.829 0 50 CDAA CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccncn1 425615021 YNELURRYDUUUGL-CQSZACIVSA-N 296.374 2.000 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 62868 KXNXWINFSDKMHD-UHFFFAOYSA-N 297.361 1.902 0 50 CDAA biogenic,in-vitro COc1cc(OC)nc(O[C@@H](C(=O)O)c2ccccc2)n1 41409 IDLITGCUZZUBBZ-GFCCVEGCSA-N 290.275 1.699 0 50 CDAA CCN1CCN(C(=O)c2ccoc2)C[C@H]1c1nccn1C 328620645 HEYJDQDRVAKDBW-ZDUSSCGKSA-N 288.351 1.532 0 50 CDAA F[C@H]1C[C@@H](CN[C@@H]2CCCSC2)N(c2cccnn2)C1 328640204 PVNPYEMRCGDPFW-XQQFMLRXSA-N 296.415 1.879 0 50 CDAA O=C1C[C@H](C(=O)Nc2ccc3ncsc3c2)CCN1 123840930 URHOGDPLXXLONZ-MRVPVSSYSA-N 275.333 1.761 0 50 CDAA COc1ccc(CN2C(=O)N[C@H](C(C)C)C2=O)cn1 152230409 BENCWAWASZIFOL-LLVKDONJSA-N 263.297 1.167 0 50 CDAA CN(C(=O)NCCCO[C@@H]1CCOC1)C1CCC1 128071977 NNZMMUBCIJNVNK-GFCCVEGCSA-N 256.346 1.376 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)c2cccc(C(N)=O)c2)C1 33359630 BLHMSYXECSUDEW-JTQLQIEISA-N 282.365 1.206 0 50 CDAA Cc1n[nH]c(=N[C@H]2CCN(C(=O)Cc3ccccc3)C2)o1 367822580 ASMNLIIPMNVDOA-ZDUSSCGKSA-N 286.335 1.055 0 50 CDAA Cn1cc(C2CCN(C(=O)C3(O)CCCCC3)CC2)cn1 128423203 ROBMRILMZZMRIV-UHFFFAOYSA-N 291.395 1.821 0 50 CDAA Cc1coc(C)c1C(=O)NC[C@@H](CO)[C@@H]1CCOC1 333995608 ZCAWPDJUBYQNBP-NEPJUHHUSA-N 267.325 1.271 0 50 CDAA O=C(Cn1nc2ccccc2n1)NC[C@H]1CCCCO1 215756162 WWVBOTGGQNFPTP-LLVKDONJSA-N 274.324 1.117 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)C/C=C/c2cccc(F)c2)CCO1 237961062 JMHVRSBYUVEGTJ-OHVSUOQFSA-N 293.294 1.541 0 50 CDAA Cc1ccc(OCCN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1 261944313 NJRHJVHXNOUNKA-HIFRSBDPSA-N 292.379 1.209 0 50 CDAA O=C(O)CNC(=O)C1(c2ccc(F)cc2)CCOCC1 238163946 SOKAAKKWUWIPEF-UHFFFAOYSA-N 281.283 1.075 0 50 CDAA Cc1n[nH]c2c1[C@H](c1ccc(C(=O)O)cc1)CC(=O)N2 35476236 CTPARFFYVGGZSK-JTQLQIEISA-N 271.276 1.890 0 50 CDAA COc1cc2c(cc1CN(C)Cc1ccn[nH]1)OCO2 216432227 PEFKKZMSQXMFMT-UHFFFAOYSA-N 275.308 1.779 0 50 CDAA COc1nc(OC)nc(-c2ccc(C(=O)O)s2)n1 32592844 WWPPRNBHUGWLCP-UHFFFAOYSA-N 267.266 1.316 0 50 CDAA COC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(C)o1 262344218 ABVLQQNDWLPEPH-UTLUCORTSA-N 267.281 1.112 0 50 CDAA C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC(CC(=O)O)CC1 262430742 MJBOSDCYDXTNOT-YPMHNXCESA-N 299.367 1.284 0 50 CDAA O=C(N1CCOC2(CCCC2)C1)[C@@]1(O)CCSC1 158462316 JZWMBJDUYMZLOL-CYBMUJFWSA-N 271.382 1.026 0 50 CDAA C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1nc[nH]n1 174566416 UHSSSKBJJVFUSJ-ONGXEEELSA-N 272.308 1.548 0 50 CDAA CCOC(=O)[C@H]1CCCN(c2cc(Cl)nc(N)n2)C1 43534420 XKZFURNJTWNCHT-QMMMGPOBSA-N 284.747 1.492 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)Cn3nc(C)cc3N)C[C@@H]2C1 222452457 JWZFCXOOVIGSTC-OLZOCXBDSA-N 274.368 1.588 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)o1 286327789 ODMDGDRKUBCUJR-JHJVBQTASA-N 279.336 1.590 0 50 CDAA Cc1nc(CCNC(=O)COc2cccnc2)sc1C 220159485 LVZRTBZHQAWWPR-UHFFFAOYSA-N 291.376 1.893 0 50 CDAA COC[C@@H](N)C(=O)N1CCC(Oc2ccc(C)cc2)CC1 82172038 UAKCCQHNCNFKPF-OAHLLOKOSA-N 292.379 1.339 0 50 CDAA COC[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 221201299 BLGCXRBLGCLWIF-LLVKDONJSA-N 271.320 1.738 0 50 CDAA CCN(C)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 175853205 AXLCEBIAGQULNT-UHFFFAOYSA-N 257.334 1.267 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@H]2CCCC[C@@H]2O)CC1 49882560 HPEUFZJDMPYRGN-STQMWFEESA-N 284.400 1.843 0 50 CDAA CN(C(=O)C[C@H]1CCCC(=O)N1)c1c(F)cccc1F 288214404 DHRPPWUHZRIEMF-SECBINFHSA-N 282.290 1.986 0 50 CDAA CSCc1ccc(C(=O)N[C@@H](C)Cn2cncn2)o1 223042828 JAHQJGQJJLPJMN-VIFPVBQESA-N 280.353 1.553 0 50 CDAA O=C(COc1ccc(F)cc1)N[C@H]1C[C@@H]2OCC[C@H]12 223291709 NPRVAJOREMIWHZ-AGIUHOORSA-N 265.284 1.498 0 50 CDAA O=C(N[C@@]1(CO)CCOC1)c1ccc(F)c2ccncc12 613489390 QQHFYMNRHNOTQS-OAHLLOKOSA-N 290.294 1.255 0 50 CDAA CCCc1n[nH]cc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1COC 222729595 NOWLKOBXMQWYSZ-FRJFDASCSA-N 293.367 1.142 0 50 CDAA Cc1cc(=O)c(C(=O)NCC[C@@H]2CCCOC2)c(C)[nH]1 426632929 UNHJFDHWCHWLIX-LBPRGKRZSA-N 278.352 1.538 0 50 CDAA Cc1noc(CSCC(=O)N[C@@H](C)c2ncc(C)[nH]2)n1 426523316 BKLFNQRXOXLFQV-QMMMGPOBSA-N 295.368 1.520 0 50 CDAA Cc1cc(CNC(=O)CCc2n[nH]c(C)c2C)n(C)n1 97527230 ZQWYLCUQXCYGEH-UHFFFAOYSA-N 275.356 1.317 0 50 CDAA NC(=O)c1cccnc1C[C@H]1COc2ccccc2C1 91625131 BMQSVQSFSRSDNE-NSHDSACASA-N 268.316 1.974 0 50 CDAA C[C@H](C(=O)N1CC(c2ccncc2)C1)n1cccn1 426728338 WICAIVBZHCGKDA-LLVKDONJSA-N 256.309 1.465 0 50 CDAA CN1C(C)(C)CC(NC(=O)Cn2ccnn2)CC1(C)C 426531547 GSPADTFQPFSQGM-UHFFFAOYSA-N 279.388 1.046 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)c1c(C)n[nH]c1C1CC1 97495119 IBPOXFLCRGXWFL-UHFFFAOYSA-N 292.383 1.630 0 50 CDAA CCCc1nnc(N2CCN(CCN3CCCC3)CC2)o1 95390322 BFSQHOWGTWDVJR-UHFFFAOYSA-N 293.415 1.240 0 50 CDAA O=C(Cn1cccnc1=O)N1CCCC[C@H]1c1cccnc1 97436819 BTAQJTAZMRXNHX-AWEZNQCLSA-N 298.346 1.392 0 50 CDAA Cc1nc(N)cc(NCCc2noc(C3CCC3)n2)n1 91452468 MNDSFULHOBAWAU-UHFFFAOYSA-N 274.328 1.672 0 50 CDAA O=C1N[C@@H](CC(=O)N2CCc3[nH]cnc3C2)c2ccccc21 96165254 WJHYPFDYWDXXIB-ZDUSSCGKSA-N 296.330 1.169 0 50 CDAA Cc1ccc([C@@H]2CC(=O)c3c(N)nc(N)nc3C2)s1 95117817 MAOKAVXUWKKAER-ZETCQYMHSA-N 274.349 1.924 0 50 CDAA O=C(NCc1ccccc1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239173571 OFAHGKQNLZYZRN-MBJXGIAVSA-N 271.316 1.500 0 50 CDAA COCCC[C@]1(CO)CCCN(C(=O)C2CCC2)C1 92065999 ZNVSJFDRQJEKQM-OAHLLOKOSA-N 269.385 1.814 0 50 CDAA C[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)O 237326545 WVPYGBCKAFDQTL-MRVPVSSYSA-N 279.340 1.718 0 50 CDAA CCc1ccc(CN2CCN3CCN(C)C[C@H]3C2)o1 244882870 YATWVNYXCRJWIU-ZDUSSCGKSA-N 263.385 1.274 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1 298730715 HDGNDOMODGLTIM-YNEHKIRRSA-N 277.320 1.744 0 50 CDAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@H]1CCOC1)CC2 299743596 LNLOIQYDSWRHJI-NWDGAFQWSA-N 291.395 1.791 0 50 CDAA CC1(C)[C@H]2CC=C(CN3C[C@H](O)C[C@H]3C(=O)O)[C@@H]1C2 534661988 LZIRLHMYHAKSOG-RNJOBUHISA-N 265.353 1.499 0 50 CDAA COCCN(C)C(=O)N[C@H](C)c1nc(CC(C)C)no1 534592618 GJRQEZIYRWKTKR-SNVBAGLBSA-N 284.360 1.617 0 50 CDAA COC(C)(C)C(=O)NC[C@H]1CCN(C2CCCC2)C1 534660548 SEUVSOTYNXGFEG-GFCCVEGCSA-N 268.401 1.792 0 50 CDAA O=C(NC[C@@H]1COCCO1)Nc1ccc2[nH]ncc2c1 299768882 QSGVTOOOQLYSMZ-LLVKDONJSA-N 276.296 1.100 0 50 CDAA Cc1nccn1C[C@H](C)NCCCOC1CCN(C)CC1 823764920 OYLXZTCLCUNOHO-AWEZNQCLSA-N 294.443 1.671 0 50 CDAA CN(C)CCn1cc(-c2cncc(Br)c2)nn1 725270371 JESCVCPGERUXCR-UHFFFAOYSA-N 296.172 1.664 0 50 CDAA CCc1nccn1CCC(=O)N1CCc2nc(C)[nH]c2C1 584902792 WVDYVOMEMQQTGI-UHFFFAOYSA-N 287.367 1.452 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)[C@@H]1CC(=O)OC12CCCC2 584899289 NVYDWICFXCHKHN-LBPRGKRZSA-N 291.351 1.552 0 50 CDAA CCc1noc(CCNC(=O)CN2CCCCCCC2)n1 584895178 CKJGONUIJHVLNZ-UHFFFAOYSA-N 294.399 1.557 0 50 CDAA Cc1ccn(CC(=O)N[C@@H](C)c2nncn2C(C)C)n1 584889021 QCVSMQIPSZUILJ-NSHDSACASA-N 276.344 1.241 0 50 CDAA O=C(NCC1C2CC3CC(C2)CC1C3)c1cnc(O)[nH]1 584886628 CBNFVLREFHPKRY-UHFFFAOYSA-N 275.352 1.917 0 50 CDAA CC[C@H](NC(=O)N(CCO)Cc1nccs1)C1CC1 670472645 VZAJYSFTXYYUTG-NSHDSACASA-N 283.397 1.836 0 50 CDAA CCCc1cnc(N2CCC[C@](CO)(CN(C)C)C2)nc1 670442965 DNYNZCSOCQJRMX-INIZCTEOSA-N 292.427 1.570 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2cc(C(=O)O)n[nH]2)C1 675050646 FUQHMUYVLSMXHM-UHFFFAOYSA-N 267.285 1.442 0 50 CDAA CN(CC1(CO)CCC1)C(=O)CCN1CCCCCC1=O 952972753 UQIGDHBPPSDPDI-UHFFFAOYSA-N 296.411 1.400 0 50 CDAA CCC(=O)N1CCC(C(=O)N2CCC[C@H]2C)CC1 952972717 LIQPOODOZHOQSN-LLVKDONJSA-N 252.358 1.646 0 50 CDAA N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F 79035464 SYVUWEZGXXHYPH-NEPJUHHUSA-N 252.289 1.694 0 50 CDAA in-vitro O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H]1C=C[C@H]2C1 100023244 QKZKKFXTPSCYQI-XUXIUFHCSA-N 253.301 1.994 0 50 CDAA in-vitro Cc1cc(CC(=O)N(C[C@@H](C)C(=O)O)C2CC2)no1 170067845 PBFUBKGJPNMACU-MRVPVSSYSA-N 266.297 1.237 0 50 CDAA CN(Cc1ccc(O)cc1)c1ncnc2nc(N)ccc12 170604952 SUBACPQFNWDEDN-UHFFFAOYSA-N 281.319 1.949 0 50 CDAA CN(C)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)no1 170606770 RXUPTIJRLKOTGO-UHFFFAOYSA-N 281.337 1.202 0 50 CDAA CC(C)[C@H](CO)C(=O)NC[C@@](C)(O)c1ccccc1 170600696 AKFSOORCDJGFSP-DZGCQCFKSA-N 265.353 1.275 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NCc1cccnc1N(C)C 188677620 KLXHLTNEGPGTED-YPMHNXCESA-N 277.368 1.579 0 50 CDAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1csnn1 190432582 SIIQMATUAKDNJF-RYUDHWBXSA-N 293.396 1.764 0 50 CDAA Cc1nnc(COC2CN(C[C@H]3CC=CCC3)C2)o1 643832574 IUPXCNWGXRSQHT-LBPRGKRZSA-N 263.341 1.935 0 50 CDAA CC[C@@H](C(=O)N[C@]1(CO)CCOC1)c1ccccc1 193357595 MLFGOZJYEDZCGA-HIFRSBDPSA-N 263.337 1.448 0 50 CDAA C[C@@H](NC(=O)c1ccc(C(=O)O)o1)C1CCOCC1 193824334 CIKCCWDNLXCULQ-MRVPVSSYSA-N 267.281 1.523 0 50 CDAA O=C(Cn1ncccc1=O)NCc1cccc(Cl)c1 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CC1(C)OC[C@H]2C[C@@]21NC(=O)c1cnn2ccc(N)cc12 1615546163 KHGZNYTYPHGNEU-RFAUZJTJSA-N 286.335 1.214 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccccc12 218600 CDBGCPLHOAOUTR-JTQLQIEISA-N 272.304 1.437 0 50 CDAA Cn1ccnc1C(=O)N1CCC[C@H]1c1cccnc1 1506416623 HPEMIIWEYWLQGJ-LBPRGKRZSA-N 256.309 1.792 0 50 CDAA CNC[C@@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 111189059 MNBQZSURIZHWTP-JSGCOSHPSA-N 274.364 1.621 0 50 CDAA Cc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 18323166 NPILUBFPJSFHAY-VIFPVBQESA-N 263.322 1.490 0 50 CDAA Cc1ccc(O)c(C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 113085677 IQXHFMVOZYSDOQ-QWRGUYRKSA-N 299.392 1.594 0 50 CDAA Cc1ccc(C)c(C(=O)N(CCN(C)C)CC(=O)O)c1 225914071 ZEQBVYZUVJRIRM-UHFFFAOYSA-N 278.352 1.392 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)Cc1cc(O)nc(O)n1 1529196457 AGPUPHKVTLXNEP-UHFFFAOYSA-N 291.355 1.292 0 50 CDAA CCS(=O)(=O)c1ccccc1N1CC[C@H](C)[C@@H](O)C1 228025457 MJNJNZWUMZKKHD-AAEUAGOBSA-N 283.393 1.687 0 50 CDAA O=C(O)[C@H]1CCN(Cc2cccc(F)c2)C[C@H]1O 1704308334 HWUVYGIUNDWQPV-NWDGAFQWSA-N 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297.318 1.159 0 50 CDAA O=C(CCCn1cncn1)Nc1cnc2n1CCCC2 67851421 MTSTZLFETSYLLQ-UHFFFAOYSA-N 274.328 1.230 0 50 CDAA COCCN1CCN(C[C@@H](O)c2ccccc2F)C[C@@H]1C 229383893 SUSCAMJSSBGZJO-XJKSGUPXSA-N 296.386 1.512 0 50 CDAA CCc1ncc2c(n1)CN([C@@H]1C[C@@H](C)OC1=O)CC2 229553802 JJSKCNFTDLXJGM-BXKDBHETSA-N 261.325 1.101 0 50 CDAA CCc1cc(CN(C)Cc2c(CO)cnc(C)c2O)on1 67921358 ZWMLKHONGMOJHC-UHFFFAOYSA-N 291.351 1.770 0 50 CDAA C[C@H]1CN(C)CC[C@H]1NS(=O)(=O)Cc1ccccc1 252463451 SNMCPLULFXHMFL-GXTWGEPZSA-N 282.409 1.446 0 50 CDAA COc1ccc(-n2cc(C(=O)c3ccccn3)nn2)cc1 1403859 GOIWVLYLLRXAKM-UHFFFAOYSA-N 280.287 1.902 0 50 CDAA CCOCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 78143841 HRIHDOAUMXSSPB-AWEZNQCLSA-N 273.336 1.777 0 50 CDAA C[C@@]1(CNC(=O)c2ccn([C@H]3CCCNC3)n2)CCCO1 328621950 IBVBHVXHNMZYRI-WFASDCNBSA-N 292.383 1.107 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CCO1 328638166 OZMXMRWZBVLITA-OWCLPIDISA-N 292.423 1.602 0 50 CDAA COC[C@@H](C)NC(=O)c1ccc(-c2nnc(S)o2)cc1 122859914 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CCn1ccc(=NC(=O)[C@H]2CN(C)C(=O)c3ccccc32)[nH]1 618042595 CLUZMWPJUDAIDZ-ZDUSSCGKSA-N 298.346 1.133 0 50 CDAA CC(C)N1CCC[C@H](CN(C)c2nccc(N)n2)C1 96141248 LUUFDGUMBHYSLK-GFCCVEGCSA-N 263.389 1.615 0 50 CDAA CCN1CCC(CC(=O)N[C@@H](C)c2nnc(N)s2)CC1 95500703 WDWXRBNWJJQJML-VIFPVBQESA-N 297.428 1.420 0 50 CDAA CCC[C@@]1(CO)CCCN(Cc2cnc(N)nc2)C1 91619927 PYLISXVBNVIVDH-CQSZACIVSA-N 264.373 1.433 0 50 CDAA CNC(=O)CCN(C)C[C@H]1CCOc2ccccc2C1 95509774 UYKXAXYCDQEFRT-ZDUSSCGKSA-N 276.380 1.696 0 50 CDAA O=C(c1cc[nH]c1)N1C[C@H](CO)[C@H](CN2CCCCC2)C1 91441191 ASZNIWIWEZAMKF-HUUCEWRRSA-N 291.395 1.181 0 50 CDAA CC[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1noc(C)n1 236966203 LJKNRTQVTWXDBE-LLVKDONJSA-N 289.291 1.957 0 50 CDAA Cc1ccc(NC[C@@H]2CCN([C@H]3C[C@@H](C)OC3=O)C2)nc1 230165291 VSASMZSSGSEMJL-RDBSUJKOSA-N 289.379 1.828 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCNC(=O)C1 245969669 AACDJFWMRRJIBK-VOAKCMCISA-N 264.369 1.692 0 50 CDAA CC[C@@H](C(=O)NC1CCCC1)N(C)Cc1nnc(C)o1 244882904 YBHLZDPQQKBNFD-LBPRGKRZSA-N 280.372 1.647 0 50 CDAA CCn1cc(CNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cn1 249690248 KENCYZMUXJVQSQ-WUHRBBMRSA-N 291.351 1.266 0 50 CDAA CN1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)N3CCC[C@@H]3[C@@H]2C1=O 248050611 QZZNCEYZNMCPSB-ZOBORPQBSA-N 288.322 1.576 0 50 CDAA C[C@H]1CCCCN1CCN(C)CCc1cn[nH]c1 244659521 HEDIPLGJQCILGV-ZDUSSCGKSA-N 250.390 1.758 0 50 CDAA CCCn1cnnc1CN(C)[C@@H](C)C(=O)NC1CCCC1 244817042 STMBJOFWJLNWCK-LBPRGKRZSA-N 293.415 1.567 0 50 CDAA Cc1[nH]cnc1CN1CCN(C(=O)c2ccc[nH]2)CC1 244742019 OAQLHZNMVJWVJI-UHFFFAOYSA-N 273.340 1.004 0 50 CDAA C[C@H]1CCC[C@@H](C)N1C(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239030641 CDRATGVLFXMROI-ISFYIQIJSA-N 281.352 1.654 0 50 CDAA Cc1ccccc1CCCN1CCC([C@@H](O)C(N)=O)CC1 299750937 OVDRCLUCQVUBJE-MRXNPFEDSA-N 290.407 1.486 0 50 CDAA CN1CCC(OCCCNC(=O)c2cncs2)CC1 252486884 HPYFTVZBTRRRHR-UHFFFAOYSA-N 283.397 1.374 0 50 CDAA CCCc1nc(NCC2(CO)CCOCC2)no1 534634197 WPFVLBRFAQGDTB-UHFFFAOYSA-N 255.318 1.223 0 50 CDAA Cn1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1=O 613407737 PJNYMCRHABBZND-MRXNPFEDSA-N 284.359 1.959 0 50 CDAA CN(C)C(=O)c1cncc(-c2ccccc2C(=O)O)n1 534644727 JONPFBSWEUEIPW-UHFFFAOYSA-N 271.276 1.544 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc2ncccc2c1 629230586 DTQBOVYTXXMUND-KBPBESRZSA-N 272.304 1.114 0 50 CDAA Cc1ccoc1C(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534672296 OSEPBKWZVASEMA-STQMWFEESA-N 278.352 1.571 0 50 CDAA CC(=O)N1CCC[C@@H](NC2CSCCSC2)C1 534590023 IHAJOSYZZHPYBL-LLVKDONJSA-N 274.455 1.436 0 50 CDAA Cc1ccc2nc(CN3CC[C@@H](O)C3)cc(O)c2c1 299796175 NHLPCCCQSFNVQF-GFCCVEGCSA-N 258.321 1.815 0 50 CDAA OC[C@@H]1CCCCN1CCCNc1cnccn1 828711024 ZILHXPISVOJVRN-LBPRGKRZSA-N 250.346 1.125 0 50 CDAA N=c1[nH]c(CNC(=O)CCC(F)(F)F)cs1 584898982 SKDDVIYNSKYGIV-UHFFFAOYSA-N 253.249 1.514 0 50 CDAA CCCCN(C)S(=O)(=O)N1CCCC[C@H]1[C@@H](O)CC 241231147 KSMFXCSJXZXOMY-STQMWFEESA-N 292.445 1.589 0 50 CDAA Cc1ncn(C)c1C(=O)NCc1noc(CC(C)C)n1 670472818 NPPGTMOWGHGOIJ-UHFFFAOYSA-N 277.328 1.240 0 50 CDAA Cc1conc1C(=O)N1CCCC[C@]12CCOC2 1337818239 BHHJTIATSOXMMU-CYBMUJFWSA-N 250.298 1.768 0 50 CDAA O=C(O)[C@@H](C(=O)N=c1cc[nH]c2ccncc12)C1CCCC1 1350424565 WQMQNMIBDUHNEO-CQSZACIVSA-N 299.330 1.881 0 50 CDAA CNC(=O)CCN(C)Cc1ccc2nsnc2c1 244874794 XHLKVXQISHSBJZ-UHFFFAOYSA-N 264.354 1.259 0 50 CDAA CC(C)c1nccn1CCCNC[C@H]1[C@@H]2CNC[C@H]12 952968505 KFDLZRULBUPPFZ-ZSOGYDGISA-N 262.401 1.452 0 50 CDAA C[C@H](CO)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C 268867042 UFDCPYMFQYUWPT-FMKPAKJESA-N 262.397 1.867 0 50 CDAA CC1(C)C[C@@H]1C(=O)NCCc1nnc2n1CCCC2 166276798 GKWRADCNHJSEOI-SNVBAGLBSA-N 262.357 1.319 0 50 CDAA O=C(NCCF)NC1CCN([C@H]2CCCC[C@H]2O)CC1 390834687 PAFZGGOQTVGMNP-QWHCGFSZSA-N 287.379 1.023 0 50 CDAA O=C1CN(CCCN2CCCC2)CCN1c1cccs1 186073616 BKALWUGWYSLVNQ-UHFFFAOYSA-N 293.436 1.883 0 50 CDAA CCOC(=O)[C@@H]1CNC[C@@]12CCN(C(=O)OC(C)(C)C)C2 91303162 LKKYIMUKDUHHII-XHDPSFHLSA-N 298.383 1.396 0 50 CDAA in-vitro Cc1ccnc(N[C@H]2CCCO[C@@H]2c2nccn2C)n1 275477590 IESYGRIBZKTGTG-RYUDHWBXSA-N 273.340 1.851 0 50 CDAA CCc1ocnc1C(=O)N1CC[C@@H](OCCOC)C1 275470962 KKQGEUPMEOIWCD-SNVBAGLBSA-N 268.313 1.115 0 50 CDAA Cc1cnccc1NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 275611349 UYVAPHIDRBTMGA-GXTWGEPZSA-N 286.335 1.840 0 50 CDAA Cc1ccc2c(c1)[C@@H](NCCCNS(C)(=O)=O)[C@@H](C)C2 170070036 PUJPRAGINCHVBU-WFASDCNBSA-N 296.436 1.757 0 50 CDAA Cc1nc(CN2CCC(S(N)(=O)=O)CC2)sc1C 407947773 APBGZDXDLPBCKE-UHFFFAOYSA-N 289.426 1.013 0 50 CDAA CC1CCC(NC(=O)[C@H]2CCCCC(=O)N2)CC1 170618069 JESZUPQMZQQFCC-HTAVTVPLSA-N 252.358 1.740 0 50 CDAA COCN1C(=O)CCc2cc(NCc3ncc[nH]3)ccc21 170608731 AWNBYJYZPSYTTD-UHFFFAOYSA-N 286.335 1.905 0 50 CDAA C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NC(C)(C)C 408434971 UDAHDVIEIKCQOI-GRYCIOLGSA-N 256.390 1.382 0 50 CDAA CCc1cnc(CC(=O)N2CCCC[C@H](COC)C2)[nH]1 635805988 DISQRCXPJIZMEE-LBPRGKRZSA-N 279.384 1.790 0 50 CDAA O=C(NCC1=CCOCC1)N1CCOC[C@@H](C2CCC2)C1 556762244 AAPQALJVYGHCPY-HNNXBMFYSA-N 294.395 1.791 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(c2ccc(Cl)cn2)C1 643720443 DZNUJDSAXINISB-ZDUSSCGKSA-N 283.759 1.202 0 50 CDAA C[C@H]1CCS(=O)(=O)CCN1Cc1cccc2c1OCO2 192059070 YINVGCHZROTKSD-NSHDSACASA-N 297.376 1.424 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@]23CCOC3)c(C)o1 194439653 OAWOVSPIBPCEJR-CQSZACIVSA-N 265.309 1.528 0 50 CDAA COCCNCCNC(=O)c1ccc2sccc2c1 195547815 LWYYWLUWRISNLH-UHFFFAOYSA-N 278.377 1.867 0 50 CDAA CO[C@@H](C(=O)Nc1ccc(C(=O)O)c(C)c1)[C@@H]1CCOC1 659135409 PKWDPERWKDQGRE-ZWNOBZJWSA-N 293.319 1.683 0 50 CDAA CCOc1ccc(NC(=O)N2CCO[C@H]3C[C@H]32)nc1C 668136439 BHUNXISAXFRSKB-PWSUYJOCSA-N 277.324 1.794 0 50 CDAA C=CC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 585086852 DQZIHGVCQNLTGA-LBPRGKRZSA-N 279.409 1.918 0 50 CDAA Cc1cc(S(=O)(=O)Nc2cc(=O)n(C)cn2)c(C)s1 585129468 KRNFKGNJZUFRAC-UHFFFAOYSA-N 299.377 1.259 0 50 CDAA CCS[C@H]1CCCCN(C(=O)CCCc2nn[nH]n2)C1 585131604 AJTPQBKBXNFEJH-NSHDSACASA-N 297.428 1.657 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1cc[nH]n1 679549177 MMJBWJRAANUDLT-USWWRNFRSA-N 292.339 1.337 0 50 CDAA CCc1cc(CNS(=O)(=O)Cc2ccccc2)n[nH]1 738382247 DNEHSUGDWWRTRD-UHFFFAOYSA-N 279.365 1.592 0 50 CDAA Cc1ncccc1CCNC(=O)[C@H]1C[C@@H]2[C@H](N)C[C@H]2C1 1615002168 OCUYNCFFKMAHAJ-APIJFGDWSA-N 273.380 1.422 0 50 CDAA CCOc1cc(N(CC)CC(OC)OC)ncn1 1616037094 BSBXBWVROIDDBR-UHFFFAOYSA-N 255.318 1.321 0 50 CDAA Cc1cccc(OC2CN(Cc3ccnn3C)C2)c1 1529154072 XEFBQPLBHLQGSL-UHFFFAOYSA-N 257.337 1.992 0 50 CDAA NCC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529168111 XQQMKTCKJDSVTB-UONOGXRCSA-N 260.337 1.324 0 50 CDAA O=c1[nH]cc(Br)cc1Br 254713 XIFRODWVHSZAMM-UHFFFAOYSA-N 252.893 1.900 0 50 CDAA in-vitro O=C(Nc1c[nH]nc1-c1nccs1)[C@H]1CCCO1 331548105 IJVHVCOJKKQHPE-MRVPVSSYSA-N 264.310 1.651 0 50 CDAA CCCNC[C@H](O)C(=O)N(C)Cc1ccc(F)cc1C 1875320432 CWYSTIYXFVTXHY-AWEZNQCLSA-N 282.359 1.453 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)O)C2)o1 136136993 VUNXHOHCAMZKOM-SNVBAGLBSA-N 251.282 1.833 0 50 CDAA CN(C)Cc1nnc(NCCN2CCc3ccccc32)o1 1772700685 ICKGJUCSFSEICH-UHFFFAOYSA-N 287.367 1.606 0 50 CDAA CN(CCOc1ccccc1)C[C@@H]1CCC(=O)N(C)C1 1775983155 YTSXTIPJXPIASV-AWEZNQCLSA-N 276.380 1.866 0 50 CDAA CCCn1cc(C(=O)NCc2[nH]nc3ncccc23)c(C)n1 1772804178 IJVPQEQFOUIHQM-UHFFFAOYSA-N 298.350 1.803 0 50 CDAA CCC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 16579339 CNEHTTYZTPDANZ-UHFFFAOYSA-N 298.364 1.484 0 50 CDAA O=C1c2nccnc2C(=O)N1c1ccc(Cl)cn1 16948424 FFXYIKCDZBXDNR-UHFFFAOYSA-N 260.640 1.326 0 50 CDAA O=C(COc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 18019504 DDZAZZCVEQFLBI-UHFFFAOYSA-N 283.287 1.874 0 50 CDAA Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(C)c1 19973527 OENBOPGFBJQXJS-AWEZNQCLSA-N 265.353 1.375 0 50 CDAA CC(C)(C)OC(=O)Cn1c(=O)c(=O)[nH]c2ccccc21 202791008 GMYHVHKKLLWJNY-UHFFFAOYSA-N 276.292 1.032 0 50 CDAA COC[C@H](c1ccnn1C)n1ccnc1-c1cnsc1 1857683206 FXGGJCVVBDCJNA-GFCCVEGCSA-N 289.364 1.976 0 50 CDAA CS(=O)(=O)Nc1cccc(Br)c1 304420 DCAVLRMJGJXYMZ-UHFFFAOYSA-N 250.117 1.821 0 50 CDAA in-vitro C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C(=O)O 2577463 BBGSNKXBKDVHPM-ZYHUDNBSSA-N 263.293 1.976 0 50 CDAA in-vitro C[C@H](N)[C@@H]1CCCCN1C(=O)c1cccc2c1OCO2 122110682 QYJJZFYSRICRRD-JQWIXIFHSA-N 276.336 1.757 0 50 CDAA C[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)[C@@H]1CN 237505354 QIBIWGANOSNCFI-BPLDGKMQSA-N 275.396 1.662 0 50 CDAA Cn1ccc2c(CN3C[C@H]4COC[C@@H](C3)C(=O)N4)cccc21 1704303656 AIWZPEYNNKFDER-KGLIPLIRSA-N 299.374 1.125 0 50 CDAA CNC[C@H]1CCN(C(=O)Cc2ccn(C(C)C)n2)C1 832645269 SQWRZMYJHAMUCV-GFCCVEGCSA-N 264.373 1.074 0 50 CDAA CC(C)n1cnnc1CC(=O)N1CC[C@H](O)CC(C)(C)C1 1875284540 YVJBLFNPUVROLY-LBPRGKRZSA-N 294.399 1.411 0 50 CDAA CC(C)(C)c1nc(CCNC(=O)Nc2ccncn2)no1 1875338989 SCWKULUBKNQOGF-UHFFFAOYSA-N 290.327 1.521 0 50 CDAA CC(=O)N1CCn2c(C(=O)NC(C)C)ccc2[C@H]1C 1875321303 CKLHEOVKMNWHBK-SNVBAGLBSA-N 263.341 1.549 0 50 CDAA Cc1cnn([C@@H]2[C@@H](Nc3nc4ccccc4n3C)C[C@H]2O)c1 886079091 HUYFDVJBFISHNO-NWANDNLSSA-N 297.362 1.865 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccc(F)cn2)C1 888079150 FMWZOXUXNGSMRU-CHWSQXEVSA-N 276.315 1.906 0 50 CDAA CNc1cc(N2CCC(c3cn[nH]c3)CC2)ncn1 892210857 IIXHZBDXJNDELR-UHFFFAOYSA-N 258.329 1.625 0 50 CDAA N[C@@H]1CN(C(=O)c2nccc3cccnc23)CC12CCC2 1775962643 YCOUSEXSLZEMOS-GFCCVEGCSA-N 282.347 1.583 0 50 CDAA CC1(C)CN(CC(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)C1 1775957836 PHWDAZQXKWRLRO-QWHCGFSZSA-N 292.383 1.168 0 50 CDAA COCCn1cc([C@H]2OCC[C@@H]2NC2CC(OC)C2)cn1 1775959315 OYQBVVLPSSXTJI-PFSRBDOWSA-N 295.383 1.127 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)c1cccnc1C(F)(F)F 263578927 TYYMSGOZEUINSJ-LURJTMIESA-N 276.214 1.646 0 50 CDAA O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1O 299872767 HBVZYCQWUQTTIK-WYUUTHIRSA-N 259.261 1.059 0 50 CDAA O=C(O)c1ccc(N2CCC(CCCO)CC2)nn1 401079295 QKPPNURVLRBUMS-UHFFFAOYSA-N 265.313 1.164 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)C2CCC2)C[C@H]1C(F)(F)F 344644376 XHGHNPDFSVFWDX-HTQZYQBOSA-N 265.231 1.508 0 50 CDAA CN1CC[C@H](O)[C@H](C(=O)NCCCCc2ccccc2)C1 2100473156 BOSHTQTWFOWBJL-CVEARBPZSA-N 290.407 1.438 0 50 CDAA COC(=O)c1ccc(NC(=O)c2cscn2)nc1 219344678 XQKOXSDGGFJKMX-UHFFFAOYSA-N 263.278 1.577 0 50 CDAA C[C@@H]1CC(CNC(=O)c2cccc3nc(O)[nH]c23)=NO1 2325794744 PHETVSNIJDMESJ-SSDOTTSWSA-N 274.280 1.163 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(C)cc2)S1 72779 XATACZAJDNAJOC-GFCCVEGCSA-N 277.349 1.996 0 50 CDAA COc1cc(OC)nc([C@H]2CCCC[C@@H]2C(=O)O)n1 154356 ITLOSRQFUNFUGL-IUCAKERBSA-N 266.297 1.852 0 50 CDAA O=C1NC(=O)c2ccc(N3CCOCC3)c3cccc1c23 175798 DTMJJQGEGBBJSN-UHFFFAOYSA-N 282.299 1.560 0 50 CDAA O=C(O)C12CC3CC(C(=O)O)(C1)CC(C(=O)O)(C3)C2 207852 IGSDAEDEJRBTEJ-UHFFFAOYSA-N 268.265 1.197 0 50 CDAA COc1cccc(S(=O)(=O)Nc2cccnc2)c1 387191 NMJAUHAIMXYPSJ-UHFFFAOYSA-N 264.306 1.891 0 50 CDAA COc1ccc(OC)c(C(=O)CSc2nnnn2C)c1 419653 KESWBJXVGQAVFB-UHFFFAOYSA-N 294.336 1.202 0 50 CDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C)C1 428604 LMRHRGRDJYHMFT-MRVPVSSYSA-N 257.359 1.447 0 50 CDAA Cc1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1C 780053 JAZMJWDPFWYXTA-UHFFFAOYSA-N 290.363 1.406 0 50 CDAA COC(=O)CC(=O)c1ccc(OC)c(OC)c1OC 2575889 SVXJJYNXRMKLGR-UHFFFAOYSA-N 268.265 1.458 0 50 CDAA C[C@H](Sc1nnc(N)s1)C(=O)Nc1nccs1 4841106 PBDNUYZJJDBHFC-BYPYZUCNSA-N 287.395 1.696 0 50 CDAA O=C(Cc1ccccc1)Nc1cccc(-n2cnnn2)c1 6596681 ZAGYUOPEIOJWTR-UHFFFAOYSA-N 279.303 1.844 0 50 CDAA CCCN1CCC(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)CC1 6741758 ZNMRQHDNTSWWQS-KGLIPLIRSA-N 294.395 1.644 0 50 CDAA COC[C@H]1[C@H](NC(=O)c2cccn2C2CC2)[C@H]2CCO[C@H]21 1074622179 AVJXRLYEHAXUBV-AYRXBEOTSA-N 290.363 1.603 0 50 CDAA COc1ccc(-c2noc(-c3cnsn3)n2)cn1 225557592 SCVDEWWPHDXFQU-UHFFFAOYSA-N 261.266 1.659 0 50 CDAA O=C(NCc1ccco1)N1CCO[C@@H](Cn2cccn2)C1 111426173 OZPUMTKVVLZQFT-CYBMUJFWSA-N 290.323 1.087 0 50 CDAA CCOc1cccc(OCCN2CCOCC2)c1 20118354 XGUJUGQCWMLJJE-UHFFFAOYSA-N 251.326 1.796 0 50 CDAA CC[C@H](CO)N(Cc1ccccn1)Cc1cc(C)nn1C 55060478 PVLMCIJQZMMGPD-OAHLLOKOSA-N 288.395 1.897 0 50 CDAA Nc1nnc(CCNC2Cc3ccccc3C2)s1 65394245 JVBODIUMOPTNGV-UHFFFAOYSA-N 260.366 1.420 0 50 CDAA CCn1nc(CC(C)C)cc1C(=O)Nn1cnnc1 67867600 IMOOOJPTMXVVAA-UHFFFAOYSA-N 262.317 1.077 0 50 CDAA COc1ncc(CN2CCC[C@H](c3ccn[nH]3)C2)cn1 67786110 LQQOPQPSZVNYFG-LBPRGKRZSA-N 273.340 1.588 0 50 CDAA CC[C@@H](c1ccccn1)N(C)C(=O)c1[nH]nnc1C 1506414352 YGDNARIPFAJTPF-NSHDSACASA-N 259.313 1.731 0 50 CDAA Nc1nc2c(c(NCCCNc3cccnc3)n1)CCNC2 67490581 JKGHKFNEVHIDRH-UHFFFAOYSA-N 299.382 1.014 0 50 CDAA COc1ccc(C)cc1CC(=O)N1CCO[C@@H]([C@@H](C)O)C1 331347491 MMXQSZQKGUWDNS-IUODEOHRSA-N 293.363 1.154 0 50 CDAA COC(C)(C)[C@H](C)NCC(=O)N(C)CC(F)(F)F 252492291 MHKKHRPBANGVQR-QMMMGPOBSA-N 270.295 1.410 0 50 CDAA Cn1nncc1CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 331494968 DDNHXHTXRKPYBB-RISCZKNCSA-N 294.305 1.401 0 50 CDAA CCC1(C(=O)N[C@@H](C)c2nc(C)no2)CCOCC1 330715197 BELNDAVEOQULKP-VIFPVBQESA-N 267.329 1.762 0 50 CDAA O=C(O)[C@H]1CN(c2ccc(-c3ccccc3)nn2)CCN1 71497939 JXJIUDHXWJIBCR-CYBMUJFWSA-N 284.319 1.006 0 50 CDAA COC[C@H]1CCN(C(=O)c2cncc(Cl)c2)C1 218841368 LAUUYRXIBKKIQC-VIFPVBQESA-N 254.717 1.844 0 50 CDAA Cc1ccn(-c2ccc(=N[C@H]3CCN4CCC[C@H]4C3)[nH]n2)n1 361831027 RWOLHVQLSXKSNA-KBPBESRZSA-N 298.394 1.431 0 50 CDAA CC1(C)CN(C(=O)CS(=O)(=O)C2CC2)[C@H]1C1CC1 333092433 ONJWDYYNIYWWPT-LBPRGKRZSA-N 271.382 1.211 0 50 CDAA C[C@H]1CCOCCN1C(=O)c1cnc(C2CC2)[nH]c1=N 376981762 XHFNIFPEKCQXJR-VIFPVBQESA-N 276.340 1.018 0 50 CDAA COC[C@H](O)CN1CC[C@H](Nc2ccccc2)C1 127900107 KTACGRJNZSCJIB-UONOGXRCSA-N 250.342 1.180 0 50 CDAA CC1(O)CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 72267090 JXCIZISJGQOEGI-UHFFFAOYSA-N 270.373 1.453 0 50 CDAA CC[C@H]1CC[C@@H](C(=O)N2CCOCC23CCC3)O1 334313305 VXHCIGRJJAWBKR-RYUDHWBXSA-N 253.342 1.726 0 50 CDAA Cc1cc(N2CCN(c3cc(C(N)=O)ccn3)CC2)ccn1 32537448 YAORKAOESVEIQV-UHFFFAOYSA-N 297.362 1.211 0 50 CDAA Cc1ccc(CN2CCN(CCC(N)=O)CC2)c(F)c1F 215772426 IWEUOJNPSZTNHX-UHFFFAOYSA-N 297.349 1.266 0 50 CDAA Cc1c([C@@H]2CCCN2Cc2cc[nH]c(=N)c2)cnn1C 373279594 TWOAVIIKXDNZTG-AWEZNQCLSA-N 271.368 1.873 0 50 CDAA CCc1nn(C)cc1NC(=O)[C@H]1CCc2cncn2C1 335553689 PFGVCRFYHWBEQZ-JTQLQIEISA-N 273.340 1.380 0 50 CDAA Cc1ccccc1OCCNC(=O)[C@@H]1C[C@H]1C(=O)O 262566483 BLMOZFRTNRAWRJ-GHMZBOCLSA-N 263.293 1.211 0 50 CDAA COc1c[nH]c(C(=O)N2C[C@H]3CC=C(C)C[C@H]3C2)cc1=O 72156835 NDJKIXAIVARSKZ-NEPJUHHUSA-N 288.347 1.812 0 50 CDAA CCOC1(C(=O)NC[C@H]2CCC[C@@H]2O)CCCC1 241144897 JTZTVZLCYROJJM-NEPJUHHUSA-N 255.358 1.613 0 50 CDAA COC[C@@]1(C(=O)O)CCN(C(=O)c2ccoc2C(C)C)C1 263168999 YPLSPYMBONQNRF-OAHLLOKOSA-N 295.335 1.966 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(C)C)nn1C 223417493 DVYIWQMDQVBHNR-ZWNOBZJWSA-N 281.356 1.077 0 50 CDAA COc1ccc(C(=O)N2CC=C(C)CC2)c(OCCN)c1 426535501 MZEIODVZNKLGMP-UHFFFAOYSA-N 290.363 1.825 0 50 CDAA CNC(=O)c1n[nH]c(-c2cccc([C@H](C)N3CCCC3)c2)n1 426707473 SEVCTDKVAPGJPS-NSHDSACASA-N 299.378 1.988 0 50 CDAA CC1(C)Oc2cc(Br)cnc2NC1=O 82048555 RWDKWNQIMXGFDK-UHFFFAOYSA-N 257.087 1.954 0 50 CDAA CC(C)C[C@H](CC(=O)O)NC(=O)c1cc(C(F)F)[nH]n1 426535112 IMWYMQFWJJDNIK-SSDOTTSWSA-N 289.282 1.967 0 50 CDAA O=C(CN1CCOCC1)N1CCC[C@H]1c1nccs1 222371535 DWHPDZGOTUIFMR-NSHDSACASA-N 281.381 1.139 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCN(Cc2ccccn2)CC1 337897715 MYEJLSIVBBEEEB-AWEZNQCLSA-N 289.379 1.152 0 50 CDAA Cc1cc(C)n2ncc(CN3CC[C@H]4CNC[C@H]43)c2n1 426635561 UVGWTLMYFUNZEW-GXTWGEPZSA-N 271.368 1.140 0 50 CDAA Cn1c(=O)oc2ccc(NC(=O)N3CCSCC3)cc21 95509531 JPNCSKRJXISBGB-UHFFFAOYSA-N 293.348 1.712 0 50 CDAA CC(=O)NCCCCn1c2c(c3ccccc31)C(=O)NCC2 231374390 RYVLOOXFFIFQEN-UHFFFAOYSA-N 299.374 1.844 0 50 CDAA in-vitro CCO[C@@H](C)C(=O)N(CC(=O)O)Cc1ccccc1 237022848 UHSCDMJMWMRUJC-NSHDSACASA-N 265.309 1.525 0 50 CDAA COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCCO1)CC2 95357173 NONCMRBOQZJBEA-HNNXBMFYSA-N 275.348 1.801 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccnc(-n2ccnc2)c1 237388828 XYMUUHUFWDSZNZ-OCCSQVGLSA-N 299.378 1.609 0 50 CDAA Cc1cc2cccc(C(=O)N(CCO)CCN(C)C)c2o1 97088013 MNZFZQMGKDHCNX-UHFFFAOYSA-N 290.363 1.737 0 50 CDAA Cc1cc(C)n([C@H](C)c2nc(C)nn2CC(=O)O)n1 96132082 WEVUFDJIPMCOJN-SECBINFHSA-N 263.301 1.094 0 50 CDAA CCn1nccc1NC(=O)NCCCNc1cccnc1 96149743 QRKVMQSOBCXXBE-UHFFFAOYSA-N 288.355 1.922 0 50 CDAA COc1cccc(C)c1NC(=O)NCCc1ncnn1C 96137101 IWGSHXFXQRHEFV-UHFFFAOYSA-N 289.339 1.496 0 50 CDAA Cc1cccc([C@H](C(=O)N2CCOCC2)N(C)C)c1 95371822 FQGOCJLMZVXALG-CQSZACIVSA-N 262.353 1.457 0 50 CDAA Nc1nc2c(c(NCc3ncc4c(n3)CCC4)n1)CCCC2 95353668 WJUHIRHQUYSUPX-UHFFFAOYSA-N 296.378 1.828 0 50 CDAA COC[C@@H]1CCCN1Cc1cc(=O)n2cc(C)sc2n1 244873504 WRJBXSVPVNWTNR-LBPRGKRZSA-N 293.392 1.675 0 50 CDAA CSCc1noc(CN(C)Cc2nc(C3CC3)no2)n1 244882640 XVPIFQCAYOHCEV-UHFFFAOYSA-N 295.368 1.825 0 50 CDAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ncn(C)n1 297088621 OQHKQWIISXYBJR-KCJUWKMLSA-N 273.296 1.459 0 50 CDAA CC(C)(C)C[C@H]1CCN(c2nc(=N)[nH]c(=N)[nH]2)C1(C)C 624405171 DXFFSLLKYOHBKL-SECBINFHSA-N 278.404 1.738 0 50 CDAA CCNC(=O)CN[C@@H]1c2ccccc2CC12CCOCC2 298437216 GSZKPDMKVNWAFY-MRXNPFEDSA-N 288.391 1.806 0 50 CDAA O=C(c1ccc2nnc(O)n2c1)N1CCc2ccncc21 544538497 AVQBZJAUPDHVRV-UHFFFAOYSA-N 281.275 1.033 0 50 CDAA C=Cc1ccc(=NCC[C@@H](C)N2CCN(C)CC2)[nH]c1 534588852 YMOSAMZGPDIDFD-CQSZACIVSA-N 274.412 1.584 0 50 CDAA O=C(O)[C@H](CO)NC1CCN(c2ccccc2Cl)CC1 534670931 QZYSCJDZJNBXNM-LBPRGKRZSA-N 298.770 1.344 0 50 CDAA CCCS(=O)(=O)N[C@H](c1nccn1C)C(C)C 534656635 QFLKHRQCWMFGNP-JTQLQIEISA-N 259.375 1.447 0 50 CDAA O=C(c1ncc[nH]1)N1CCO[C@H](c2ccccc2)C1 22318960 XEWWFYDVXWIYPP-LBPRGKRZSA-N 257.293 1.623 0 50 CDAA CCN(C(=O)Nc1ccc(C(C)=O)cc1)[C@H]1COC[C@@H]1O 299779176 QBFHGNVTQJYHAC-KBPBESRZSA-N 292.335 1.503 0 50 CDAA Cc1cn2cccc(C(=O)NCC[C@@H]3CCCN3C)c2n1 299780813 CTTCISCEPMOBGE-ZDUSSCGKSA-N 286.379 1.857 0 50 CDAA O=C(O)c1cccnc1N1CC[C@@H]2NCCC[C@@H]2C1 1857709129 HAJWSQFHBSCTHS-PWSUYJOCSA-N 261.325 1.358 0 50 CDAA NCC1(C(F)(F)F)CCN(S(=O)(=O)C2CC2)CC1 725264710 LXRSFKMOYQDPIE-UHFFFAOYSA-N 286.319 1.082 0 50 CDAA O=C(O)[C@]12COC[C@H]1CN(CCOc1ccc(F)cc1)C2 662220277 GQKARPRYTRVZJN-IAQYHMDHSA-N 295.310 1.238 0 50 CDAA CCC[C@@H](NC(C)=O)C(=O)NCc1cnc(C)cc1C 584884266 FBIYBSJULHFVQB-CQSZACIVSA-N 277.368 1.619 0 50 CDAA Cc1cc(C)n(CCCC(=O)N[C@H](C)c2cnn(C)c2)n1 584889141 XYQOOORGNJCFEY-CYBMUJFWSA-N 289.383 1.891 0 50 CDAA C[C@@H](Cc1cccnc1)n1cnc2ccncc2c1=O 584902355 XHLCOGGNDPJSGB-NSHDSACASA-N 266.304 1.990 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2nn(C)cc2Cl)C1 584892919 KTMXZBJVFWFWHH-JTQLQIEISA-N 285.775 1.962 0 50 CDAA CCc1[nH]nc2c1CN(Cc1cc(=O)c(OC)co1)CC2 670436558 JJRVPHNYEJYNJV-UHFFFAOYSA-N 289.335 1.492 0 50 CDAA CCN(CC)S(=O)(=O)N(C)CCn1nc(C)cc1C 670461580 JCEZSDRJRIHQIC-UHFFFAOYSA-N 288.417 1.018 0 50 CDAA CCCN1CCN(C(=O)c2cccn2C2CC2)CC1=O 670452943 AGGUANLSNPWOPZ-UHFFFAOYSA-N 275.352 1.517 0 50 CDAA CNC(=O)c1ccc(=O)n(Cc2nc(C(C)(C)C)co2)c1 1421365921 SXCKLJWQKCISGJ-UHFFFAOYSA-N 289.335 1.542 0 50 CDAA CC(C)=CCN1CCC(CNC(=O)CN2CCCC2)CC1 952984819 SLOUGMBKPFLYMZ-UHFFFAOYSA-N 293.455 1.877 0 50 CDAA C[C@](O)(CNC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(F)cc1F 268933964 ZUDQLZOTAREASD-NUPCCRGMSA-N 299.273 1.009 0 50 CDAA COc1ccc(N2C(=O)[C@@H]3CCCC(=O)N3C2=O)cc1 888088260 BKHJFUUNGDSJGN-NSHDSACASA-N 274.276 1.543 0 50 CDAA Cc1cccc(-c2noc([C@H]3CC(=O)N(C)C3)n2)n1 274039963 ZIRSRJWCSVVZTC-VIFPVBQESA-N 258.281 1.386 0 50 CDAA CC(C)O[C@H]1C[C@@H](NC(=O)CCn2ccnc2)C1(C)C 274277522 NYZGJWURRJCFFP-OLZOCXBDSA-N 279.384 1.982 0 50 CDAA OCc1ccn2c(I)cnc2c1 89202116 WQBVGLDOOIGACS-UHFFFAOYSA-N 274.061 1.431 0 50 CDAA in-vitro C[C@@H]1OCCC[C@H]1C(=O)NCCOc1ncccc1F 276774137 NNQIYMRLVBBIGO-WDEREUQCSA-N 282.315 1.531 0 50 CDAA Cn1c(=O)[nH]c2cc(C(=O)O)cc(Br)c21 214769009 SSGKIOXAGLAPIM-UHFFFAOYSA-N 271.070 1.327 0 50 CDAA CC(C)(C)[C@@H]1CN(C(=O)CCc2cnccn2)CCO1 280751481 KYEFBHVSMHNYPU-ZDUSSCGKSA-N 277.368 1.683 0 50 CDAA Oc1cc(CN2CC[C@@H](Oc3ccncc3)C2)ccn1 639614338 AMEWAEPVWZFYCU-CQSZACIVSA-N 271.320 1.836 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc(Cl)c[nH]2)cn1 190030115 HIVBIIXIULRSCZ-CMPLNLGQSA-N 294.742 1.662 0 50 CDAA O=C(O)c1csc(NC(=O)[C@@H]2CCCCO2)c1 191358988 FPERNCSGIYKGOG-QMMMGPOBSA-N 255.295 1.954 0 50 CDAA CC[C@H](NC(=O)c1cnc(C)nc1C(C)C)C(=O)O 192875424 DZNHIFWIQKXESG-JTQLQIEISA-N 265.313 1.501 0 50 CDAA COc1cccc(CCC(=O)N2CCC[C@H](N)C2)c1 195115672 GYDUOTWXRSDSQV-ZDUSSCGKSA-N 262.353 1.578 0 50 CDAA Cc1cc(CC(=O)NCc2cccc(C(=O)O)c2)no1 195550764 CTXWKAPYFNEHFP-UHFFFAOYSA-N 274.276 1.540 0 50 CDAA C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C(=O)Cc1ccccc1 676705991 GBEAOLMHWSEVDJ-ADSMDIBLSA-N 287.359 1.870 0 50 CDAA CC(C)NC(=O)NC1(C(=O)Nc2cc[nH]n2)CCCCC1 684268003 LICGIXWNVADDTF-UHFFFAOYSA-N 293.371 1.759 0 50 CDAA Cn1ncc(C2CC2)c1CNC(=O)[C@H]1C[C@@H]2[C@@H](N)C[C@H]2C1 1615554137 QIRBPRCYCDYYLE-NMKXLXIOSA-N 288.395 1.287 0 50 CDAA CC(C)(C)[C@H](CO)CNC(=O)[C@H]1CCc2cncn2C1 1615554895 ZHDJCCQFJNOQQZ-RYUDHWBXSA-N 279.384 1.216 0 50 CDAA CNC(=O)CNC(=O)C1(Nc2nccs2)CCCCC1 1616032974 WNYHAMCOQCLGFL-UHFFFAOYSA-N 296.396 1.120 0 50 CDAA O=C(NC[C@H]1CCN(C2CC2)C1)c1cncc(O)c1 109042541 DJUJGPJFFAGTRM-SNVBAGLBSA-N 261.325 1.001 0 50 CDAA Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc1F 168182388 TZFORGPZIAVOKJ-FDYHWXHSSA-N 293.294 1.951 0 50 CDAA CN1CC[C@@](C)(CNc2ccc(-c3nccn3C)nn2)C1 1506401304 IRVHCECXNWMDID-HNNXBMFYSA-N 286.383 1.631 0 50 CDAA COc1cc(OC)nc(NC[C@H]2CCCN2C(C)C)n1 1506396452 GUIPDGUJYRJOSJ-LLVKDONJSA-N 280.372 1.779 0 50 CDAA COc1ccc(OCCSc2nc(N)cc(N)n2)cc1 2996785 UAJVDUQLRAXNFT-UHFFFAOYSA-N 292.364 1.821 0 50 CDAA O=C(O)CN1CSC(=S)N(Cc2cccnc2)C1 1857526061 DTEYZVLTHHKRQS-UHFFFAOYSA-N 283.378 1.217 0 50 CDAA O=C(CN1CCC[C@@]2(CCC[C@H]2O)C1)N1CCCC1 1704341111 PUGHHIJLXIUXAW-HIFRSBDPSA-N 266.385 1.236 0 50 CDAA CSCCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 218666596 CZARDBZVVQBLFD-VWYCJHECSA-N 271.382 1.984 0 50 CDAA CC[C@]1(O)CCN(C(=O)c2ccc(COC)s2)C[C@@H]1O 222042303 RLGHXBICTZDKRQ-JSGCOSHPSA-N 299.392 1.242 0 50 CDAA COc1ccc(F)cc1CN(CCO)Cc1ncc[nH]1 1704335521 BJQHFHDWBKUWAG-UHFFFAOYSA-N 279.315 1.552 0 50 CDAA Cc1cc(CN2CC[C@H](CCC(=O)O)C2)n(C)n1 134695340 XUANQAJYNWHOLW-NSHDSACASA-N 251.330 1.415 0 50 CDAA C[C@H]1CCSCCN1C(=O)N[C@H](C)C[S@@](C)=O 253278353 NXQDLSNTZFXWON-GPHJXTMHSA-N 278.443 1.290 0 50 CDAA COc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1OC 4988955 AVVRUCRJLFLQQK-LBPRGKRZSA-N 278.352 1.401 0 50 CDAA Cc1cc(CC(=O)N2CCCC[C@@H]2[C@@H](C)N)no1 262782991 YTKARWALZJBZIX-ZYHUDNBSSA-N 251.330 1.254 0 50 CDAA CN(C)c1nc(NC[C@H](c2ccco2)N(C)C)ncc1F 1772700538 GKNJTZUXXJRKMH-LLVKDONJSA-N 293.346 1.990 0 50 CDAA C[C@@]12C[C@H]1CN(C(=O)c1cccc3c1OCCO3)C2 1772818847 ZHTAVOOKZGDZBI-BONVTDFDSA-N 259.305 1.940 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 248087846 SYTRWMASNGJAMM-BJDJZHNGSA-N 270.373 1.367 0 50 CDAA biogenic O=C(O)C(Cl)(Br)Br 5112641 UCZDDMGNCJJAHK-UHFFFAOYSA-N 252.289 1.753 0 50 CDAA Cc1cccc(NC(=O)c2ccccc2-n2cnnn2)n1 12324831 GCCHAQMERVVEGN-UHFFFAOYSA-N 280.291 1.618 0 50 CDAA O=C(O)c1ccccc1N1CCCCS1(=O)=O 12355481 TWGHPFNNZIONQR-UHFFFAOYSA-N 255.295 1.315 0 50 CDAA Cc1nn2c(nnc3c(=O)[nH]ccc32)c1-c1ccccc1 12390269 XMCCVWAVOMWEFL-UHFFFAOYSA-N 277.287 1.941 0 50 CDAA CCOC(=O)CCC(=O)Nc1cccc(C(N)=O)c1 14557791 NHTFWSBAZNTWCJ-UHFFFAOYSA-N 264.281 1.067 0 50 CDAA COc1cc(N)ccc1OCCCN1CCOCC1 19933943 VPSYNNXMBVGYQK-UHFFFAOYSA-N 266.341 1.379 0 50 CDAA Cc1c(C(=O)N2CCc3nocc3C2)nc2ccccn12 1857715916 NYERUBOCXIOYHL-UHFFFAOYSA-N 282.303 1.829 0 50 CDAA CCC[C@]1(CO)CCN(c2nc(C)c(C)c(C)n2)C[C@H]1O 1875244889 YWSJBIRDQDGLND-GDBMZVCRSA-N 293.411 1.752 0 50 CDAA O=C(N[C@H](C[C@@H]1CCOC1)C(=O)O)c1ccccc1 521396187 RGIDQJAVQZOCRJ-CMPLNLGQSA-N 263.293 1.296 0 50 CDAA O=C(CN1CCO[C@@H]2CCC[C@H]21)NCc1ccc(F)cc1 230082278 KLOKVXDQAWXXLG-HUUCEWRRSA-N 292.354 1.695 0 50 CDAA CC[C@@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1noc(C)n1 130233802 FCNQJRMTYWTAEI-VXGBXAGGSA-N 295.387 1.422 0 50 CDAA CCCC1(O)CCN(c2ncnc3[nH]c(=N)ccc23)CC1 340906644 FLKSWJUYSMACOI-UHFFFAOYSA-N 287.367 1.569 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@H](C(=O)O)C2)s1 136139174 BPZHQJLTMTXIAZ-JTQLQIEISA-N 267.350 1.922 0 50 CDAA COc1cccc(C=O)c1OCCCN1CCOCC1 19798081 XSFILFZHWJISAC-UHFFFAOYSA-N 279.336 1.609 0 50 CDAA Cc1cc(C(=O)N[C@@H](CN(C)C)C(C)C)ns1 585079520 GBUIROKQVMGEOG-NSHDSACASA-N 255.387 1.768 0 50 CDAA COc1ccc(F)cc1-c1cncc2nc(=N)[nH]n12 498050502 GYEAUQZXFVDIMA-UHFFFAOYSA-N 259.244 1.352 0 50 CDAA CSCc1ccc(C(=O)N2CCNC[C@@H]2C)cc1 125941576 WECARQCEWDGBOL-NSHDSACASA-N 264.394 1.984 0 50 CDAA Cc1ccc(F)c(C(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)c1F 1704330999 MROXYAJQTWPZTQ-WCBMZHEXSA-N 299.273 1.181 0 50 CDAA C[C@H]1CCCCN1C(=O)Nc1cc(=O)n(C)cn1 864246605 GTYMNLJTMNENOP-VIFPVBQESA-N 250.302 1.187 0 50 CDAA Cc1nccn1CCNC(=O)CCc1cccc(O)c1 952884188 VSPKXRXVAHOMNN-UHFFFAOYSA-N 273.336 1.646 0 50 CDAA Cc1nccnc1[C@@H](C)NCc1cnn2c1CN(C)CC2 952889434 CUJHDPPVIAJXBZ-GFCCVEGCSA-N 286.383 1.278 0 50 CDAA Cc1nc(O)c2c(n1)CN([C@H]1Cc3ccccc3[C@@H]1O)C2 1875281504 DYNGZGYQSWDENX-GJZGRUSLSA-N 283.331 1.465 0 50 CDAA Cc1ccc2nc(O)n(C[C@@]3(C)CCC(=O)N3)c(=O)c2c1 1875313787 USUDJCKYKAQTJK-OAHLLOKOSA-N 287.319 1.079 0 50 CDAA CC(C)C[C@H](C(=O)O)[S@](=O)[C@@H](C)c1nncn1C 1875383461 VQNLXGKLGPYAKM-IDJBCLPUSA-N 273.358 1.124 0 50 CDAA CC1(C)C[C@@H]1C(=O)N[C@@H](CC(=O)O)c1nccs1 1875300857 SZACVEVSZAGBPU-SFYZADRCSA-N 268.338 1.821 0 50 CDAA C=CC(=O)N[C@H](C(=O)OC)[C@@H]1CCc2ccccc21 1875368018 JBDBLAUNISVGBQ-OCCSQVGLSA-N 259.305 1.560 0 50 CDAA O=C(O)[C@H](CCO)NC(=O)[C@H]1CCSc2ccccc21 1875313588 QHLGJNVQHFYSCH-QWRGUYRKSA-N 295.360 1.218 0 50 CDAA C=CC(=O)NC[C@@]1(O)CCCc2ccc(OC)cc21 1875374942 KYGAMOKBQLRWJN-HNNXBMFYSA-N 261.321 1.521 0 50 CDAA Cc1ccc(O)c(NC(=O)C2CC(N3CCOCC3)C2)c1 1875361260 VRVASTAUNXKLPG-UHFFFAOYSA-N 290.363 1.750 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2Nc2ccnc3c2cnn3C)cn1 886038266 PISKFBIQKHATLT-UONOGXRCSA-N 298.350 1.644 0 50 CDAA COc1ccc2nccc(N(C)CC(=O)NC3CC3)c2c1 891573683 IIHWZTRQOFRAMF-UHFFFAOYSA-N 285.347 1.958 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](CC(=O)O)C1 1772715993 GUXPWNGXUZZMNZ-RKDXNWHRSA-N 259.302 1.533 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)COC1CCCCC1 136530298 VUFLVPJMBMXJLF-LBPRGKRZSA-N 269.341 1.801 0 50 CDAA O=c1cc(CN2CCC[C@H](c3ccon3)C2)[nH]c2ccnn12 1775997153 XCNIVGIHHLMPAX-NSHDSACASA-N 299.334 1.390 0 50 CDAA COC(=O)c1nnn(Cc2ccc(OC)cc2)c1Cl 1775976001 HZDUEESPNHBGSE-UHFFFAOYSA-N 281.699 1.775 0 50 CDAA CCC(C)(C)CNc1n[nH]c([C@@H]2CCS(=O)(=O)C2)n1 1776005254 CBMVPDAHMSSZEB-SECBINFHSA-N 286.401 1.555 0 50 CDAA COc1ccc(OCCC(=O)N2CCN(C)CC2)cc1 20351882 XYIALORTDXHRMO-UHFFFAOYSA-N 278.352 1.238 0 50 CDAA Cc1nnsc1CN(C)C(=O)[C@H](N)CC(C)C 71707953 XGGWQOSWZPGXOC-SECBINFHSA-N 256.375 1.178 0 50 CDAA COc1cccc(CN2CCC[C@@]3(CCNC3)C2=O)c1 72129072 VTPTWGWEHMYESO-INIZCTEOSA-N 274.364 1.797 0 50 CDAA O=C(c1ncc[nH]1)N1CCC(c2ccncc2)CC1 614006134 TWMXYCZIDUGXTH-UHFFFAOYSA-N 256.309 1.825 0 50 CDAA CN(Cc1ccc2c[nH]nc2c1)C[C@@H]1CCS(=O)(=O)C1 353797557 RIUKUCHUKYARHW-LBPRGKRZSA-N 293.392 1.429 0 50 CDAA N=c1[nH]cc(C(=O)N2CCCC[C@H]2CC(=O)O)s1 426371211 UEROSEZXIKTNCB-ZETCQYMHSA-N 269.326 1.025 0 50 CDAA O=C(O)c1cc(F)ccc1CN1CCn2ncnc2C1 571691941 URUCPXKKKVRMLF-UHFFFAOYSA-N 276.271 1.131 0 50 CDAA Nc1nc2c(c(NCCCn3ccnc3)n1)CCCC2 91643910 ZBCQJFKPRKBJLZ-UHFFFAOYSA-N 272.356 1.636 0 50 CDAA Cc1cn(C)nc1CNc1cccc(NS(C)(=O)=O)c1 1414080730 NPZSTNZBVOAIJD-UHFFFAOYSA-N 294.380 1.712 0 50 CDAA CN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1COC[C@H]1O 286243022 ZPVXIIPOSYNWEE-VXGBXAGGSA-N 275.270 1.897 0 50 CDAA CN1CCCN(C(=O)N[C@@H]2CC[C@H]2C2CC2)CC1=O 2325748392 XARHXPNVDKQTCU-NWDGAFQWSA-N 265.357 1.049 0 50 CDAA CN(C[C@@H]1CCCO1)C(=O)CCc1nc(C(C)(C)C)no1 122621711 WLZKFDWPYFPSFE-NSHDSACASA-N 295.383 1.937 0 50 CDAA CC(C)c1nnc(/C=C/C(=O)Nc2nncs2)o1 151949315 XUTQCDUUTHEBJT-ONEGZZNKSA-N 265.298 1.696 0 50 CDAA CCOc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1 68670 WHCOCRPZHNFYOF-MNOVXSKESA-N 253.323 1.874 0 50 CDAA COC(=O)Cn1nnnc1-c1ccc(Cl)cc1 86762 NBPUQEMBAAXTHA-UHFFFAOYSA-N 252.661 1.167 0 50 CDAA Cc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)no1 223675 DIAKBPKEWWQGGH-UHFFFAOYSA-N 298.302 1.411 0 50 CDAA CSc1nccc(NS(=O)(=O)c2ccccc2)n1 392442 IZAMYPKCHXOTGB-UHFFFAOYSA-N 281.362 1.999 0 50 CDAA Cc1cc(C)n([C@H]2CCN(Cc3cccc4ncnn34)C2)n1 2356138283 IEFHBXVCIMSJGO-HNNXBMFYSA-N 296.378 1.990 0 50 CDAA CCOc1cc(S(=O)(=O)n2cnc(C)c2)ccc1F 2710286 VOILFMWALUKUCG-UHFFFAOYSA-N 284.312 1.966 0 50 CDAA CCCC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1 2848361 ZXHCYHATWLHYJE-UHFFFAOYSA-N 273.296 1.401 0 50 CDAA COCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccc(C)c1 4235160 OBQYFNIPAIEUEY-JSGCOSHPSA-N 277.320 1.616 0 50 CDAA O=C(Cc1cccs1)NCCCN1CCCC1=O 4750310 QGQQSKKGJWEPGY-UHFFFAOYSA-N 266.366 1.419 0 50 CDAA CCOc1ccc(S(=O)(=O)n2cccn2)cc1 4992998 UAXAUFXXHFMWOD-UHFFFAOYSA-N 252.295 1.519 0 50 CDAA COC[C@@H]1CN(Cc2ncc(C)o2)CC(C)(C)O1 343335717 VBOIOZONCZGCQL-NSHDSACASA-N 254.330 1.609 0 50 CDAA COc1ccc2c(ccn2CCC(=O)NCCC(=O)O)c1 20762880 FTVDHGZSINQITK-UHFFFAOYSA-N 290.319 1.631 0 50 CDAA biogenic CCN(CCCCN)c1ccc2c(=O)[nH]nc(O)c2c1 20840621 LEOJISUPFSWNMA-UHFFFAOYSA-N 276.340 1.194 0 50 CDAA O=C1CC[C@]2(CN1Cc1ccccc1)NCCc1[nH]cnc12 67840398 OACJTHOLJKIQCI-QGZVFWFLSA-N 296.374 1.573 0 50 CDAA CCN1CCO[C@@H](CCNC(=O)c2ccccc2NC)C1 67867632 ATMUTXNEADTUFR-ZDUSSCGKSA-N 291.395 1.569 0 50 CDAA COc1ccc(-n2c([C@H](O)c3ccccc3)n[nH]c2=O)cc1 65393434 DDAQJYMPZXYTLR-CQSZACIVSA-N 297.314 1.651 0 50 CDAA CN1C[C@H](c2nc(Cc3ccc4c[nH]nc4c3)no2)CC1=O 350918527 AMNLBHCHQSPPGY-LLVKDONJSA-N 297.318 1.482 0 50 CDAA CN(CC(=O)c1ccc(O)cc1)C(=O)[C@H]1CCCO1 67458656 YQEGFNDHDHTLRT-CYBMUJFWSA-N 263.293 1.212 0 50 CDAA O=C(COC1CCNCC1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 251465398 VFJNWZDZCFZWHW-NZBFACKJSA-N 292.423 1.696 0 50 CDAA CN(C)c1cnn(CCC(F)(F)C(F)(F)F)c(=O)c1 20351115 ILCSQDIJZFJHPN-UHFFFAOYSA-N 285.216 1.897 0 50 CDAA COc1ccccc1-n1cc([C@@H]2NCCc3[nH]cnc32)cn1 67649792 QEPNVIQBFQSOIU-HNNXBMFYSA-N 295.346 1.839 0 50 CDAA CC1(C)CNC(=O)c2nc([C@H](O)c3cccnc3)[nH]c2C1 65387977 ZLQARSCUQWRNRL-GFCCVEGCSA-N 286.335 1.199 0 50 CDAA O=C(O)[C@@H]1CS[C@@H](c2c(F)cc(F)cc2F)N1 53725 UHKSPZGOKXICPS-CBAPKCEASA-N 263.240 1.892 0 50 CDAA CO[C@H]1CCC[C@@H]1NC(=O)Cc1sc(S)nc1C 128945113 OZOXKJRXTOQQEF-IUCAKERBSA-N 286.422 1.966 0 50 CDAA CCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1c1ncc[nH]1 328634867 UIXQSICIGWVPGP-MJBXVCDLSA-N 288.395 1.661 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(Cc2cncnc2)CCO1 328641238 QMZXTYQZXQDYGF-OAHLLOKOSA-N 276.384 1.019 0 50 CDAA O=C(Cc1c[nH]c2ncccc12)N1[C@H]2COC[C@H]1C2 329093588 XJZSQUFIKCYNOV-GHMZBOCLSA-N 257.293 1.105 0 50 CDAA NCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77421156 VYOYHHSEIPCSEW-LLVKDONJSA-N 266.316 1.402 0 50 CDAA O[C@@H](CNCc1ccon1)c1c(F)cccc1F 148851988 ZBOJCIMCSRQPQB-NSHDSACASA-N 254.236 1.776 0 50 CDAA COC(=O)[C@]1(C)CN(C(=O)NCCn2cccc2)C[C@H]1C 253395618 OCRUNYBYELSHNG-IUODEOHRSA-N 293.367 1.329 0 50 CDAA CCN(C)C[C@@H](C)CNc1nc(C)nc2c1CCNCC2 72422085 OVZFJUQURSYGJQ-LBPRGKRZSA-N 291.443 1.473 0 50 CDAA COc1cc(F)c(C(=O)N2CCNC[C@H]2C)cc1OC 125176274 OHSTWHSKDJORFP-SECBINFHSA-N 282.315 1.277 0 50 CDAA CC1(C)C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)O1 364900401 ZHMSQZZEYFXOTK-NWDGAFQWSA-N 291.395 1.908 0 50 CDAA CN(C)C[C@@]1(O)CCN(C(=O)c2cccc3cc[nH]c23)C1 72156146 GEVBADFUNHERHU-INIZCTEOSA-N 287.363 1.307 0 50 CDAA CSc1ncc(I)c(=O)[nH]1 78404333 WTHKWCNGAAYWAQ-UHFFFAOYSA-N 268.079 1.096 0 50 CDAA CCc1ccc(Cn2cnc3c(cnn3C)c2=O)nc1 338531249 RJFKHDNQMXOCPQ-UHFFFAOYSA-N 269.308 1.136 0 50 CDAA CC[C@@H](NC(=O)c1cnc(C)[nH]c1=O)c1ccncc1 216178415 JLEYMEPEQUTMCN-GFCCVEGCSA-N 272.308 1.354 0 50 CDAA COc1nc(C)cc(N2CCC[C@H]([C@@H]3CCNC3)C2)n1 333635297 BJBQUAPRDVQRGQ-OLZOCXBDSA-N 276.384 1.620 0 50 CDAA CC1(C)N[C@@H](c2csnn2)N(CC2CCCC2)C1=O 333945332 SSFAUFVMAZDRIA-LLVKDONJSA-N 280.397 1.937 0 50 CDAA c1cc(CN2CCC[C@H]2Cn2cncn2)n2ccnc2c1 371423910 FIOADLYRDSTBKK-ZDUSSCGKSA-N 282.351 1.590 0 50 CDAA CCn1ccnc1CN1CCN(CC(C)C)[C@H](CCO)C1 36385686 QJDSGPARLBCLON-OAHLLOKOSA-N 294.443 1.428 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@]3(CC2)CN(C)C(=O)O3)[nH]n1 72156649 AANCALWIGCKDRW-CQSZACIVSA-N 292.339 1.165 0 50 CDAA Cc1c(C(=O)N2CCCC3(CC3)C2)nn2c1OCCC2 336270884 GOLYYZDMGYNURS-UHFFFAOYSA-N 275.352 1.990 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(c2cnc3cc(F)c(F)cc3n2)C1 284618246 SQMUAOGTYRZNOI-DTWKUNHWSA-N 295.289 1.494 0 50 CDAA COC[C@@H]1CN(c2ncnc(N)c2Cl)CC(C)(C)O1 284980406 KYJXOALXTYVOOH-QMMMGPOBSA-N 286.763 1.342 0 50 CDAA C[C@@H](NC(=O)c1ncccc1O)c1nc(C(C)(C)C)no1 175583712 YTSUQXPIOILVMU-MRVPVSSYSA-N 290.323 1.959 0 50 CDAA Cn1cc(CC(=O)NCc2cc[nH]n2)c2ccccc21 222524007 YXIMQEFPXHASDP-UHFFFAOYSA-N 268.320 1.760 0 50 CDAA Cc1onc(N)c1S(=O)(=O)N(C)[C@H](C)C1(C)CC1 290665853 GAROVNPAPQVXEN-MRVPVSSYSA-N 273.358 1.374 0 50 CDAA O=C(NCCc1noc(C2CCCC2)n1)c1ccnnc1 220376508 ITIRSXVCEDWAGM-UHFFFAOYSA-N 287.323 1.490 0 50 CDAA Cc1cc(C(=O)NCCN2CCCOC2=O)c(C)o1 223698407 YMGPXUUCBZOLEV-UHFFFAOYSA-N 266.297 1.469 0 50 CDAA O=C(O)[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 134059880 WQOKHMRIBWKRDT-VIFPVBQESA-N 261.256 1.731 0 50 CDAA Cn1ncnc1[C@H](NC(=O)CCc1cccnc1)C1CC1 223586670 NLPGREVSUUEEMK-CQSZACIVSA-N 285.351 1.410 0 50 CDAA Cn1cnc(NC(=O)[C@@H]2CCc3cc(F)ccc32)n1 615235552 GSJGZQSHOZTSHA-LLVKDONJSA-N 260.272 1.623 0 50 CDAA Cc1cccnc1OC1CCN(Cc2ncnn2C)CC1 289383978 LNVMQHBJOVVGQE-UHFFFAOYSA-N 287.367 1.562 0 50 CDAA CCO[C@@H](C)c1ncc(C(=O)NCCn2cnnc2)s1 615630967 DSJCFEWTXVCPBA-VIFPVBQESA-N 295.368 1.262 0 50 CDAA CN(C)c1cccc(CNC(=O)Cc2cscn2)n1 612993367 NLMGYSHIZGWXEJ-UHFFFAOYSA-N 276.365 1.463 0 50 CDAA CC[C@H](C)CNC(=O)N1CCN(c2cccnc2)CC1 426574907 ZSOAVBAQHMYZMP-ZDUSSCGKSA-N 276.384 1.959 0 50 CDAA Cc1[nH]nc(C(=O)N[C@@H](CC(C)C)C(=O)O)c1Cl 426472729 KTUKFAXPZIBFEM-ZETCQYMHSA-N 273.720 1.601 0 50 CDAA O=C1CCC[C@H](C(=O)Nc2nccc3ccccc23)N1 615887211 VIBQODVYVXHODI-GFCCVEGCSA-N 269.304 1.842 0 50 CDAA O=C(NC1(C(=O)O)CCOCC1)c1cccn1C1CC1 131778655 XKRMRPVYEDYMGQ-UHFFFAOYSA-N 278.308 1.187 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cccnc2NC(C)C)C1 178975134 OQHOFWZQJARHSM-LBPRGKRZSA-N 276.384 1.583 0 50 CDAA Cc1ccc(-c2cc(C(=O)NCCc3cnn[nH]3)n[nH]2)cc1 426726953 VPBFCSQLXCZIKK-UHFFFAOYSA-N 296.334 1.476 0 50 CDAA O=C(C[C@H]1CCCO1)Nc1ccn(CC(F)(F)F)n1 179012177 GBRDDPNVFQLBMG-MRVPVSSYSA-N 277.246 1.953 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 179026444 UMCPMPCQHCSFEN-ZDUSSCGKSA-N 296.374 1.825 0 50 CDAA COc1cccc([C@H](C(=O)O)N(C)Cc2ncc[nH]2)c1 95380359 YUJVJXFXNFTCQM-CYBMUJFWSA-N 275.308 1.676 0 50 CDAA C[C@@H](C(=O)N(C)CCN1CCCCCC1)n1ccnc1 426646956 BYWUNKXEZRWRDL-AWEZNQCLSA-N 278.400 1.779 0 50 CDAA Nc1nc2cc(C(=O)O)cc(Br)c2o1 97757412 CYRSALRGXKPZSZ-UHFFFAOYSA-N 257.043 1.871 0 50 CDAA COc1cccc(C)c1NC(=O)NCCNC(=O)C(C)C 96138768 YVSFIQRAEWPDAI-UHFFFAOYSA-N 293.367 1.897 0 50 CDAA CC(C)(CNC(=O)C1=Cc2ccccc2OC1)C(=O)O 236640349 BNFWLFJMENVYET-UHFFFAOYSA-N 275.304 1.689 0 50 CDAA CC(C)Cc1cc(C(=O)N(C)CCN(C)C)on1 91678181 VTHDIWJVZLFVFZ-UHFFFAOYSA-N 253.346 1.507 0 50 CDAA Cc1ccc(F)c(OCC(=O)N2CC3(CCOC3)C2)c1 294372102 LBJREDAXDIQSGC-UHFFFAOYSA-N 279.311 1.762 0 50 CDAA CN1CCCC[C@H]1CCC(=O)NCCSc1cn[nH]n1 95379680 IWTXVSIWIQZOSV-NSHDSACASA-N 297.428 1.278 0 50 CDAA CC(C)=CC[C@]1(CO)CCCN(S(C)(=O)=O)C1 91474858 DYWWBUYTRJEQRG-GFCCVEGCSA-N 261.387 1.377 0 50 CDAA Cc1ccc(-c2noc([C@H](C)N3CCCC3)n2)nn1 92028094 CZHUXECJRPFBKX-JTQLQIEISA-N 259.313 1.992 0 50 CDAA Cc1noc([C@@H]2CCCCN2Cc2nnc(C)o2)n1 244795912 RPRANTYHSIVJMU-JTQLQIEISA-N 263.301 1.797 0 50 CDAA CN(CCc1noc(C2CC2)n1)CC[C@H]1CCCN1C 252487735 IAWFDSJGPPTILR-CYBMUJFWSA-N 278.400 1.906 0 50 CDAA CN1CCC(CCC(=O)NC2(CO)CCCCC2)CC1 534589451 BUWUXEKKMQLRKX-UHFFFAOYSA-N 282.428 1.920 0 50 CDAA COCC(C)(C)CN=c1[nH]c(=N)[nH]c(C)c1Cl 534584493 BWSKWICYCQVVSU-UHFFFAOYSA-N 258.753 1.357 0 50 CDAA CCOC(=N)CN(CC(=O)OCC)c1ccc(C=O)cc1 263622831 BHJIQDASABKMCJ-UHFFFAOYSA-N 292.335 1.882 0 50 CDAA 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295.339 1.116 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)NCCc2scnc2C)C[C@H]1N 1857718868 XEXXVHPYPGLNDT-QJPTWQEYSA-N 297.424 1.253 0 50 CDAA CCn1ccc(C(=O)N2CCC(C3CCNCC3)CC2)n1 1857726700 CRVLSNPSJGFDPP-UHFFFAOYSA-N 290.411 1.755 0 50 CDAA CCC[C@@]1(CO)CN(C(=O)c2ccncc2)CC[C@@H]1O 1857738578 OIWFZXFDCLLNJR-ZFWWWQNUSA-N 278.352 1.067 0 50 CDAA Cn1nccc1CNC(=O)c1cc(Cl)cc(F)c1N 225555559 QXMNBZRJUQIRGS-UHFFFAOYSA-N 282.706 1.725 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 620120404 HIJOCWPOIFWJSP-ZHAHWJHGSA-N 287.319 1.552 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2N[C@H](C)Cn2cccn2)cnn1C 328616410 BPRNEIBPBFOHGG-BYCMXARLSA-N 289.383 1.433 0 50 CDAA COc1ccc2cc(C(=O)N3CCNCC3)c(C)nc2c1 237273360 IEWSREIOWIQHGD-UHFFFAOYSA-N 285.347 1.597 0 50 CDAA O=C(N[C@@H]1CCC[C@@H](CO)C1)[C@@H](C1CC1)N1CCCC1 334060814 YKAHDGIZSLRVQV-BPLDGKMQSA-N 280.412 1.528 0 50 CDAA O=C(N[C@@H]1COc2ccccc2C1)c1ccc(C(=O)O)nc1 238034467 FIPCGMHAMWTMGH-LBPRGKRZSA-N 298.298 1.513 0 50 CDAA Cc1cc(C)cc(NC(=O)CCN2C(=O)CCC2=O)c1 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Cc1nc(Cl)sc1C(=O)N(C)Cc1ncnn1C 952846617 ABGFRQDFZGVFOL-UHFFFAOYSA-N 285.760 1.506 0 50 CDAA C[C@H](N=c1ncnc2[nH][nH]cc1-2)c1cc2n(n1)CCCC2 1875286883 LAKKSBGNBDUDCB-VIFPVBQESA-N 283.339 1.432 0 50 CDAA O=C(N[C@H]1C[C@H](O)[C@H](O)C1)c1cc2c(F)c(F)ccc2[nH]1 1875284420 YUTIYGGAZAUENP-QYHSIISESA-N 296.273 1.060 0 50 CDAA COc1ccc(C(N)=O)c(OC[C@H]2C[N@]2CC2CC2)c1 1875384665 ICLNGPZEYLRZPM-DIFFPNOSSA-N 276.336 1.267 0 50 CDAA O=C(NCc1nc(-c2ccco2)n[nH]1)NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12 1875304361 IHTOKIIRHVDFOC-ZYUZMQFOSA-N 299.334 1.518 0 50 CDAA CC(=O)N(C)c1ccccc1CNC(=O)/C=C/CN(C)C 1875379278 PEHYYROZHUDJRM-JXMROGBWSA-N 289.379 1.403 0 50 CDAA C=CC(=O)N1CCC(C(=O)Nc2nccs2)CC1 888093441 NWYNRYIGZSCXMY-UHFFFAOYSA-N 265.338 1.506 0 50 CDAA Cc1nc([C@H]2CCN(Cc3cnn(CC(F)F)c3)C2)n[nH]1 895012825 OZCAMWNCUNAMEM-NSHDSACASA-N 296.325 1.564 0 50 CDAA CSc1ccc([C@@H](C(=O)O)N2CCOCC2)cc1 37359120 GJPXUCQQPMEEEG-LBPRGKRZSA-N 267.350 1.866 0 50 CDAA CCC1(CC)CNC(=O)[C@@H]1Nc1cc(F)ncn1 896673653 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294.395 1.202 0 50 CDAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)CCCn1cncn1 248145587 RTZWUGMDIFUEPE-UONOGXRCSA-N 291.399 1.144 0 50 CDAA CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OC 10386508 MZLMYEBHXZBIBS-NSHDSACASA-N 271.338 1.225 0 50 CDAA CN1CCC[C@H](CCNC(=O)CCN2CCCCO2)C1 67446843 USHVKAUZTDXSHC-CQSZACIVSA-N 283.416 1.252 0 50 CDAA C[C@@H](C(=O)N1CCc2[nH]cnc2C1)n1cnc2ccccc21 67872873 FBFJJNCQGCOUIG-NSHDSACASA-N 295.346 1.905 0 50 CDAA CCn1cc(CCN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cn1 348479436 ODMPZZMQALVNQB-OAGGEKHMSA-N 293.411 1.307 0 50 CDAA CN(CCc1nccn1C)C[C@@H](O)c1ccccc1 1506408956 NZBDOGHNYIBHGL-CQSZACIVSA-N 259.353 1.628 0 50 CDAA O=C(CN1CCCCC1=O)NCCCOC1CCCC1 128218618 BZIFBWRTJRSAKI-UHFFFAOYSA-N 282.384 1.464 0 50 CDAA Cc1nnc2n1CCN(C(=O)C[C@@H](O)CC(C)(C)C)C2 365863934 XUSXQPRILATIBO-LLVKDONJSA-N 280.372 1.116 0 50 CDAA C[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)C[C@@H](C)N1 154116749 HLVSVYYGRWYWKC-CHWSQXEVSA-N 299.378 1.149 0 50 CDAA CC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1cccs1 98972 CGCQMZDLCKBMDU-IONNQARKSA-N 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CC[C@@H](NC(=O)c1cccc(N)n1)c1cnn(C)c1 584890254 XYFXSHKJMYPCJB-SNVBAGLBSA-N 259.313 1.278 0 50 CDAA COCCN1CCC[C@H](CN(C)c2ncc(Cl)cn2)C1 670458298 IEJNRIGMVNRGIH-GFCCVEGCSA-N 298.818 1.925 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CC(=O)NC2=O)C1 51943411 KGASDBALYJEYOG-CYBMUJFWSA-N 268.313 1.050 0 50 CDAA in-vitro CC1=C(C(=O)NC2(CC(=O)O)CCCCC2)OCCO1 952984426 LBGOCRWANBZFRU-UHFFFAOYSA-N 283.324 1.559 0 50 CDAA Cc1nc(C(=O)NCC[C@@H]2CCCOC2)cs1 952966270 DJVUDEJAHXZFLK-JTQLQIEISA-N 254.355 1.998 0 50 CDAA COCc1cc(N2CC[C@](O)(C3CC3)[C@@H](C)C2)ncn1 1565516276 SEWLSCYPDZMALE-XHDPSFHLSA-N 277.368 1.610 0 50 CDAA CCc1nn(C)cc1NC(=O)N[C@H]1CCO[C@@H]1C1CC1 390832790 RCCZVPYLGUEBLE-WCQYABFASA-N 278.356 1.672 0 50 CDAA O=C([C@H]1NCCOc2ccccc21)N1CCCC(F)(F)C1 1580490213 XOOUJOJVAAMEII-ZDUSSCGKSA-N 296.317 1.967 0 50 CDAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1cnns1 275668270 QRUCDFVPXGDZNP-CMPLNLGQSA-N 290.348 1.583 0 50 CDAA NC[C@H]1Cc2ccccc2N(C(=O)c2cnc3n2CCC3)C1 632870111 UQWAYSZADQJIJN-GFCCVEGCSA-N 296.374 1.607 0 50 CDAA Cc1nc(S)sc1CC(=O)NC[C@@H]1CCOCO1 170591006 UNLQJNQISOHHKL-QMMMGPOBSA-N 288.394 1.162 0 50 CDAA C[C@H](CO)N(C)c1cc(-c2ccccc2)nc2ncnn12 301805614 DZHNPCYKOWCILA-LLVKDONJSA-N 283.335 1.608 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnns1 222991307 MEFWZFVVVJAUNR-VGMNWLOBSA-N 281.337 1.396 0 50 CDAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ncc[nH]1 190425622 XDYMWYXSOAMSBX-AAEUAGOBSA-N 275.356 1.636 0 50 CDAA CC(=O)N1CC(C(=O)Nc2ccc3nc(C)oc3c2)C1 190928792 NDLSUNFJFYYJAA-UHFFFAOYSA-N 273.292 1.553 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1cc(F)ccc1F 643763071 RPVNZYPHFYANTB-AWEZNQCLSA-N 284.306 1.431 0 50 CDAA CCc1cccc(S(=O)(=O)N[C@H]2CCCN[C@@H]2C)c1 193454376 LWXQGQWHZHHIOO-RISCZKNCSA-N 282.409 1.668 0 50 CDAA CN1CCC[C@@]2(CCN(c3ncc(C(=O)O)cn3)C2)C1 563206271 ZUMHWTADTQPRJV-CQSZACIVSA-N 276.340 1.097 0 50 CDAA O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc[nH]1 194930077 DHDYTOMLMNBUHQ-UHFFFAOYSA-N 267.292 1.907 0 50 CDAA CC1(C)C(=O)NCCN1Cc1cc(C(=O)O)ccc1Cl 652409675 FNSZZRGVTQQVAV-UHFFFAOYSA-N 296.754 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CCc1ncc(C(=O)NCCCn2ccnc2CC)cn1 95383939 JJECBLQKTSXINO-UHFFFAOYSA-N 287.367 1.618 0 50 CDAA COc1ccc2c(c1)OC[C@@H](C(=O)NC1CCOCC1)C2 91708068 OAXXXHKXKDVAGT-LBPRGKRZSA-N 291.347 1.542 0 50 CDAA O=C(Cc1nc(O)n[nH]1)N1CCCC[C@H]1c1nccs1 426582879 TVUVASOXTIGWSR-QMMMGPOBSA-N 293.352 1.263 0 50 CDAA CCCCn1ccnc1C1CCN(C(=O)CNC)CC1 95530870 WZASLVLXLLGERC-UHFFFAOYSA-N 278.400 1.609 0 50 CDAA COc1ccc(OC)c([C@H](C(=O)O)N2CCSCC2)c1 95351972 NBKIDSBWZJJSCI-CYBMUJFWSA-N 297.376 1.878 0 50 CDAA Cc1nn(C)c2nc(N(C)Cc3cnccn3)sc12 95525829 ICTPSGACXVSOCX-UHFFFAOYSA-N 274.353 1.765 0 50 CDAA C1CCN(CCCc2nc([C@@H]3CCOC3)no2)CC1 96147971 VNSAPAKCOOGNMT-GFCCVEGCSA-N 265.357 1.992 0 50 CDAA CC(=O)N1CCO[C@@H](CNc2nnc(C(C)(C)C)o2)C1 95367184 KZMUJSCWYPYOEP-JTQLQIEISA-N 282.344 1.026 0 50 CDAA Cn1cc(CCC(=O)N2CCC[C@@]3(CCCO3)CC2)cn1 97657068 OOAGVIPKBQQZHU-MRXNPFEDSA-N 291.395 1.914 0 50 CDAA Cc1ccccc1Cc1nc([C@H]2CCOC2)nn1CCO 96150260 QXLDRSDJMHIFKP-AWEZNQCLSA-N 287.363 1.674 0 50 CDAA CCc1cnc(N)nc1NCCCN1CCCC[C@@H]1CO 91819431 JPGQFGPCNBGDHS-CYBMUJFWSA-N 293.415 1.270 0 50 CDAA CC(C)[C@@]1(CO)CCCN(c2nccn(C)c2=O)C1 293971855 HSTGVDWINAWDQQ-AWEZNQCLSA-N 265.357 1.015 0 50 CDAA Cn1cncc1CCC(=O)N1CC[C@H](O)C12CCCC2 294086696 ILSPASPXBKWRBR-ZDUSSCGKSA-N 277.368 1.259 0 50 CDAA CCS[C@@H]1CCC[C@H]1NC(=O)c1cn(C)nc1COC 294807740 BVNQVZCLIQVUJE-DGCLKSJQSA-N 297.424 1.971 0 50 CDAA CN1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1 294920341 KBJSTGVUGSRKRU-GFCCVEGCSA-N 260.341 1.178 0 50 CDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)Cc1ccn(C)n1 181654851 YZRYYDXEQZBLDO-ZDUSSCGKSA-N 298.390 1.830 0 50 CDAA O=C(NC[C@H](O)c1ccsc1)c1c[nH]nc1C1CC1 184503913 KZQJCDRWWWSRAW-NSHDSACASA-N 277.349 1.812 0 50 CDAA CCc1ncc(S(=O)(=O)NCc2cc(C(C)C)on2)[nH]1 534659321 DMONTDPZOURGSK-UHFFFAOYSA-N 298.368 1.562 0 50 CDAA Cc1cnn(CCC(=O)NC[C@@H](C)n2cc(C)cn2)c1 534676211 HRNMUQMZEANHKO-CYBMUJFWSA-N 275.356 1.464 0 50 CDAA CC[C@H]1C(=O)Nc2cc(OC)c(OC)cc2C(=O)N1C 534579055 IERWZWMAGHYWSW-JTQLQIEISA-N 278.308 1.507 0 50 CDAA C[C@H](C(=O)NCCc1cc[nH]n1)N1CCCCCC1 534578221 ZGEUKWBFSBKZJR-GFCCVEGCSA-N 264.373 1.333 0 50 CDAA Cc1csc([C@@H](C)CNS(=O)(=O)N2CCCC2)n1 273400863 GQWWSOPETRSSHW-VIFPVBQESA-N 289.426 1.485 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2ccc(=O)n(C)n2)c(C)s1 299775118 HFKKMALKQOJXTP-SSDOTTSWSA-N 292.364 1.345 0 50 CDAA Cn1nccc1CN1CCCC2(CCNCC2)CC1 825661040 YBFPLRDGDJHVMX-UHFFFAOYSA-N 262.401 1.776 0 50 CDAA CCCc1nnc(N[C@@H]2CC=CC[C@H]2C(N)=O)s1 823019077 QZNDBNCUHGTCFT-RKDXNWHRSA-N 266.370 1.723 0 50 CDAA Cc1cc(C)n(CCCC(=O)N(C)C[C@@H]2CCN(C)C2)n1 584890837 RWKDGVIOFKBNFN-OAHLLOKOSA-N 292.427 1.690 0 50 CDAA Cc1cc(C(=O)O)nc(-c2cccc3ccnn23)n1 584887793 PTTRNNOQOOEYKR-UHFFFAOYSA-N 254.249 1.798 0 50 CDAA O=c1c2c(Cl)cccc2ncn1C[C@]1(O)CCCNC1 670471432 LUTUTCGEPLHZOP-AWEZNQCLSA-N 293.754 1.164 0 50 CDAA COCc1nc([C@H]2CCOC(C)(C)C2)n(CCCO)n1 670462563 NUYHMIWTOGENFF-NSHDSACASA-N 283.372 1.480 0 50 CDAA CCCc1cnc(C)nc1NCCCN1CCC(O)CC1 670460778 VJEJOQOXURHTEL-UHFFFAOYSA-N 292.427 1.996 0 50 CDAA COC(=O)c1cncc(NC(=O)[C@H](C(=O)O)C(C)C)c1 863981842 NOQVYJRUJDWLRL-SNVBAGLBSA-N 280.280 1.164 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1OC 1296757681 ZPTZJDJTMMWNSY-UHFFFAOYSA-N 282.727 1.932 0 50 CDAA O=C(NC1(C(=O)O)CCOCC1)OCc1ccccc1 69550488 KBGZJANMFZSOFP-UHFFFAOYSA-N 279.292 1.547 0 50 CDAA in-vitro CCOC[C@@H]1CCN(C(=O)Nc2cnc(C)cn2)C1 952884896 PQZGXADBAOACOY-LLVKDONJSA-N 264.329 1.675 0 50 CDAA Cc1ccc(NC(=O)N2CCCC2(CO)CO)cc1 1776007168 VQKUDQLEFZQANV-UHFFFAOYSA-N 264.325 1.346 0 50 CDAA CCN(CC)c1ccc(CN=c2ccc(OC)n[nH]2)cn1 1875276330 HZPMEZHUICBIRG-UHFFFAOYSA-N 287.367 1.760 0 50 CDAA CC1(C)[C@H]2C[C@H](C(=O)N[C@@H]3C[C@H](C(=O)O)[C@H]4C[C@H]43)C[C@H]21 1875277229 FCGKHARKYUQMBV-XDQOZGBTSA-N 277.364 1.894 0 50 CDAA Cc1cccc(F)c1CNC[C@@H](O)c1cnn(C)c1 1875284938 WMHXYQSWVAMEDO-CQSZACIVSA-N 263.316 1.691 0 50 CDAA Cc1ccc(F)cc1SC[C@@H](O)[C@]1(O)CCOC1 1875279325 RMOGEPOTXCPFPQ-OLZOCXBDSA-N 272.341 1.739 0 50 CDAA CC(C)C[N@]1C[C@H]1COc1ccc(S(C)(=O)=O)cc1 1875380807 AKLIWKXNKNMLKT-SWLSCSKDSA-N 283.393 1.809 0 50 CDAA C=CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@]3(C2)CC3(F)F)C1 1875387481 JWGZHMQSVNOHII-ZWNOBZJWSA-N 284.306 1.325 0 50 CDAA CN(Cc1nc(O)n[nH]1)C(=O)c1cccc2cnsc12 1875338578 COKHHTRNWZAYAK-UHFFFAOYSA-N 289.320 1.392 0 50 CDAA Cc1ccc(CN(C)C(=O)CN2CCn3ccnc3C2)nc1 1875321549 MQVKQPDZHYRUNN-UHFFFAOYSA-N 299.378 1.061 0 50 CDAA COCc1cc(C2CN(C[C@H](O)CC(F)(F)F)C2)no1 886079385 JWQIFWRDVNPXBM-SECBINFHSA-N 294.273 1.534 0 50 CDAA COc1cccc([C@@H](O)Cn2cc(C(C)(C)O)nn2)c1 132687388 YEXMVMPPXRCBHG-LBPRGKRZSA-N 277.324 1.248 0 50 CDAA C[C@@]1(C2CC2)COCCN1C(=O)c1cnc2n1CCOC2 890590736 RGLFROZYNLROPI-HNNXBMFYSA-N 291.351 1.054 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)CC12CCOCC2 1772717021 OAJONVTZKXFJSW-SNVBAGLBSA-N 285.340 1.877 0 50 CDAA O=C(Cc1cnn(-c2ccccc2)n1)Nc1ccnnc1 1525012872 FSNZJBOOABPRLA-UHFFFAOYSA-N 280.291 1.239 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC(F)(F)C1 72194369 MSNKMLCRSUWLHZ-ZETCQYMHSA-N 265.256 1.963 0 50 CDAA in-vitro Cc1ccc([C@H](CNC(=O)C[C@@H](O)C2CC2)N(C)C)cc1 1775999193 PASRVLOAXOMRJY-JKSUJKDBSA-N 290.407 1.875 0 50 CDAA O=C(O)[C@H]1CN(c2ncccc2F)C[C@@H]1c1cccnc1 1565510566 HVDXPIMNNRJXQY-NEPJUHHUSA-N 287.294 1.920 0 50 CDAA CCOC(=O)c1ncn2cc(Br)cnc12 89210823 FTBIIQQYFCUUKD-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA in-vitro C[C@H]1C[C@H](N2N=C(c3cn(C)cn3)CC2=O)C[C@@H](C)O1 899360843 QKAQHBHSDICLMD-JGPRNRPPSA-N 276.340 1.313 0 50 CDAA Cc1cc(F)ccc1OS(=O)(=O)c1cnn(C)c1 167103249 VWHSKKWSJYMVEC-UHFFFAOYSA-N 270.285 1.635 0 50 CDAA Cc1cc(NC(=O)[C@H](C)N(C)c2ccn(C)n2)on1 274810913 DGVGVOSPOYXHHT-VIFPVBQESA-N 263.301 1.180 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)C2(C(F)F)CCC2)C1 630097836 MEEPHKYFWOOSCR-QMMMGPOBSA-N 261.268 1.745 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccncc2)cn1 275339400 GPOUFWTUPQBQJT-UONOGXRCSA-N 286.335 1.465 0 50 CDAA O=C(NCCc1nccs1)c1c[nH]nc1[C@H]1CCOC1 275521814 MHKFIIUQVXPXRS-VIFPVBQESA-N 292.364 1.343 0 50 CDAA CCOC(=O)CNC(=O)Cc1nc(C(C)C)c(C)s1 170618079 SNQXDDQSQBZOND-UHFFFAOYSA-N 284.381 1.797 0 50 CDAA Cc1cc(CC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)n[nH]1 189045025 JAYCXLWDUTUGLT-RISCZKNCSA-N 279.384 1.828 0 50 CDAA COc1nn(C)cc1N=c1[nH]nc(C(F)(F)F)s1 651345259 MDIAIXRMHRJCNZ-UHFFFAOYSA-N 279.247 1.465 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 569848501 HMPIMYNRNWRBES-SECBINFHSA-N 287.275 1.338 0 50 CDAA C[C@@H](NC(=O)[C@H](C(=O)O)C1CCCC1)C1CCN(C)CC1 663113144 GPTFUNQYNNLDSI-BXUZGUMPSA-N 296.411 1.724 0 50 CDAA C[C@H](CNC(=O)N1CC(F)(F)C[C@@H]1CO)c1ccccn1 665422133 OSOBFIVQAJCQFJ-GHMZBOCLSA-N 299.321 1.597 0 50 CDAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1Cc1cc[nH]c1 583618749 DBKUBUKBPMWOPQ-KKUMJFAQSA-N 264.369 1.767 0 50 CDAA CC(C)CN1CC[C@H](C(=O)NC[C@H]2CCCCN2)C1 585089115 HDBRVQVYZMGVHZ-UONOGXRCSA-N 267.417 1.223 0 50 CDAA C=CC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 585124893 YOILHASAPDHPHH-CYBMUJFWSA-N 280.755 1.847 0 50 CDAA CCC1(CC)[C@H](NC(=O)[C@@]2(C)CCC(=O)N2)C[C@H]1OC 585135624 SXORGSUISIQLTL-JTNHKYCSSA-N 282.384 1.365 0 50 CDAA O=c1/c(=C/c2ccccn2)sc2nc3ccccc3n12 126443 WCIVOCKEAKOYBX-LCYFTJDESA-N 279.324 1.852 0 50 CDAA COCc1noc(CN2CC(Oc3cccc(C)c3)C2)n1 1506423505 ITHCGKMZQAEEEP-UHFFFAOYSA-N 289.335 1.788 0 50 CDAA CCN(Cc1nc(C(C)C)no1)C(=O)[C@H]1C=CCN1 1506411765 UPKITMKJZINQOR-SNVBAGLBSA-N 264.329 1.070 0 50 CDAA COc1cccc([C@H](C)N(C)C(=O)c2[nH]nnc2C)c1 1506419154 YQRLHUANSIGJDB-JTQLQIEISA-N 274.324 1.955 0 50 CDAA COCCN1CCC(CN(C)Cc2nnc(C)s2)CC1 1529138589 FXKVYCASSMAPSC-UHFFFAOYSA-N 298.456 1.637 0 50 CDAA Cc1n[nH]cc1CN(C)c1ncc(F)c(N2CCCC2)n1 1529187212 PQRRUEKMXPXFDW-UHFFFAOYSA-N 290.346 1.884 0 50 CDAA COc1cc(C)ccc1CN1C[C@@H]2CNC(=O)C[C@@H]2C1 1800413114 BCQOLANVYLQDKT-KGLIPLIRSA-N 274.364 1.572 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc2c(c1)CNC2 1615553480 HBLJQLHNRBFPMY-IAGOWNOFSA-N 293.370 1.644 0 50 CDAA CCN(C(=O)c1nccn1C)[C@H]1CCCC[C@@H]1O 1615707388 CZFNJKBRWAQMPH-QWRGUYRKSA-N 251.330 1.186 0 50 CDAA Cc1nc(N2C[C@H](O)[C@@H](F)C2)nc2c1CCCC2 1616076593 AWFNJPUELANQGV-JQWIXIFHSA-N 251.305 1.183 0 50 CDAA O[C@H]1CN(Cc2cccs2)C[C@@H]1Cc1cnccn1 1616079043 QOKCITWRCXUQGZ-FZMZJTMJSA-N 275.377 1.574 0 50 CDAA Cc1nc(O)c(C(=O)N[C@H]2CC[C@H](N)C2)c(C)c1Cl 1616103214 QQYLKTCLCATEIG-IUCAKERBSA-N 283.759 1.667 0 50 CDAA C[C@@]12C[C@H]1CN(Cc1cnc(N3CCOCC3)s1)C2 1775979273 ZEGRKLTVZXJLSW-FZMZJTMJSA-N 279.409 1.822 0 50 CDAA CC(C)N1C[C@@H](CN(C)CCc2cnn(C)c2)CCC1=O 1772805507 MKHXSMPEUFRALM-OAHLLOKOSA-N 292.427 1.541 0 50 CDAA CNCC[C@@H]1CCC(=O)N1Cc1cc(OC)ccc1OC 14883133 HFOMXCVFKOCNKR-ZDUSSCGKSA-N 292.379 1.804 0 50 CDAA O=C(OCCOC(=O)c1ccncc1)c1ccncc1 15442118 NGBHSNYNHWOVBX-UHFFFAOYSA-N 272.260 1.490 0 50 CDAA Cc1ccc(N2C(=O)C[C@H](SCCO)C2=O)cc1 18222301 BYBLTCUATNENRQ-NSHDSACASA-N 265.334 1.352 0 50 CDAA CC/C=C(\C)CN1CCC[C@H](Cn2cc(CO)nn2)C1 19761027 IIONNWVKESBWGY-GUVYXZIWSA-N 278.400 1.839 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1C 169683134 FGNSGABNWJJFLT-SYQHCUMBSA-N 269.300 1.746 0 50 CDAA CN1CC2(CCN(C(=O)[C@@H]3CC34CCC4)CC2)OCC1=O 1857687725 BFACHQACOQBZDH-LBPRGKRZSA-N 292.379 1.026 0 50 CDAA Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@@H](N)C1 237722497 ZPTRTOBZDRPYND-SNVBAGLBSA-N 296.417 1.931 0 50 CDAA O=C(N[C@]1(C(=O)O)CCc2ccccc21)[C@H]1CCCCO1 677849655 JXUNPSWMUCIURQ-CZUORRHYSA-N 289.331 1.598 0 50 CDAA O=C([C@@H]1CNCCOC1)N1CCC(c2ccncc2)CC1 643774066 HUHPTNBGINFWSG-OAHLLOKOSA-N 289.379 1.024 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC[C@H]1c1cccnc1 335864687 MZZZRXROPJEYDE-ZDUSSCGKSA-N 256.309 1.711 0 50 CDAA CNC(=O)CCCC(=O)NCCc1ccc2c(c1)CCO2 252519090 AXDHHIGJPOOJOB-UHFFFAOYSA-N 290.363 1.197 0 50 CDAA Cc1ncc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)c(C)n1 262946213 KZBGTZDOSSPYJJ-GVXVVHGQSA-N 289.335 1.419 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(C(=O)c3cccnc3C3CC3)CC[C@H]21 910847817 JMVANRTZSXYECI-KGYLQXTDSA-N 286.331 1.752 0 50 CDAA CCC(=O)N1CCN(C(=O)NCc2cc(C)ccn2)C1 922623173 HSESXHWFYUMFDL-UHFFFAOYSA-N 276.340 1.111 0 50 CDAA CC(C)c1noc(CCNC(=O)c2cccc3nccn23)n1 1254215268 HELJQAWTAMFMIW-UHFFFAOYSA-N 299.334 1.813 0 50 CDAA C=CC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 848979166 NVJFOZJTHOAROW-UHFFFAOYSA-N 272.348 1.394 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc(Cl)c1 225644955 MUCYWRUWPNJXHN-WYUUTHIRSA-N 293.706 1.933 0 50 CDAA CC[C@](C)(O)CN1CCN(c2nccs2)CC1 119394021 PWBDEMNTSKLBHK-LBPRGKRZSA-N 255.387 1.426 0 50 CDAA COC[C@@H](NC(=O)Cc1sc(S)nc1C)C1CC1 122527179 DLWJYYRTTWYNFL-SECBINFHSA-N 286.422 1.824 0 50 CDAA Cc1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cnn1C 252430605 AEWHKOIZLDCEAA-FSZOTQKASA-N 275.308 1.190 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)N1CCCC[C@H]1c1nc[nH]n1 252513428 ZURRNGIMGGIVHT-VWYCJHECSA-N 264.329 1.283 0 50 CDAA Cn1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cn1 253624185 ANDNNTSKIMJFBM-WCQGTBRESA-N 277.324 1.278 0 50 CDAA Nc1ncc(CN2CC[C@@H]([C@@H]3CCOC3)C2)s1 262107591 WDKKCZFEMBGHDF-NXEZZACHSA-N 253.371 1.584 0 50 CDAA CCN(Cc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 67871473 WJLJUYKUNCEWSP-NSHDSACASA-N 293.392 1.572 0 50 CDAA COc1ccccc1OCCNC1=NCCCCN1 521396947 ODJDGBZTJNUHBE-UHFFFAOYSA-N 263.341 1.403 0 50 CDAA Cc1cc([C@@H]2CCCN2CCN2CCN=C2O)on1 328605346 JMXWKQHTTNQAKZ-NSHDSACASA-N 264.329 1.350 0 50 CDAA CS(=O)(=O)N1CCC[C@H](N[C@@H]2CCC23CCCC3)C1 336310769 BXWOMOJIZQDLRV-QWHCGFSZSA-N 286.441 1.723 0 50 CDAA CCc1cnc(NCCCN2CCN(C)CC2)nc1 95384589 ORTPJCURXBZNHT-UHFFFAOYSA-N 263.389 1.088 0 50 CDAA C[C@@H](CS(=O)(=O)N1CC(C)(C(=O)O)C1)c1ccccc1 399409107 JRZJSMUGTZNZHK-NSHDSACASA-N 297.376 1.526 0 50 CDAA O=S(=O)(c1ccc(Cl)s1)N1C[C@H]2CCN[C@H]2C1 1565513232 CETKMLFLPKNPFI-SFYZADRCSA-N 292.813 1.384 0 50 CDAA NCCS[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1=O 2886650 MQEKXEWNTNOXOW-NSHDSACASA-N 282.340 1.145 0 50 CDAA CCc1cnccc1C(=O)NCC12CCN(CC1)C2 2325802088 GWFIUFDLXAUISE-UHFFFAOYSA-N 259.353 1.470 0 50 CDAA O=C(CCc1ccccc1)N1CC(Nc2ccncn2)C1 2325810548 QVIYINUXRHNNLK-UHFFFAOYSA-N 282.347 1.732 0 50 CDAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(OC)cc1 81262 UEINHOJEXGUNBB-GFCCVEGCSA-N 275.304 1.746 0 50 CDAA O=C1C[C@H](NCc2ccco2)C(=O)N1c1ccccc1 100369 AGYOREXUTINZNA-ZDUSSCGKSA-N 270.288 1.701 0 50 CDAA NC(=O)C1CCN(C(=O)CC2CCCCC2)CC1 316738 ZMOPCYWPIDEBCJ-UHFFFAOYSA-N 252.358 1.681 0 50 CDAA Nc1c(I)cccc1C(=O)O 1721751 NPQWFVGQIVTULM-UHFFFAOYSA-N 263.034 1.572 0 50 CDAA in-vitro COc1ccc(NC(=O)C(=O)NC2CCCC2)c(OC)c1 2497281 IWHOSDJLWIRFKE-UHFFFAOYSA-N 292.335 1.701 0 50 CDAA N[C@@H](CC(=O)O)c1cccc(I)c1 3678222 ZBOWULRIADNEHR-QMMMGPOBSA-N 291.088 1.766 0 50 CDAA CNc1ncccc1C(=O)N1CCC[C@]12CCCNC2=O 2356156028 SGIORVNEASTMDR-HNNXBMFYSA-N 288.351 1.008 0 50 CDAA O=C(c1cc(Br)c[nH]1)N1CCOCC1 4089732 CJDKSSYFLPPHCW-UHFFFAOYSA-N 259.103 1.250 0 50 CDAA Cc1[nH]nc(O)c1CC(=O)N1CCc2ccccc2CC1 2356169950 NQSNHJDPZULGKF-UHFFFAOYSA-N 285.347 1.594 0 50 CDAA COc1ccc(CN2CCC[C@H](NC(=O)C(C)C)C2)nn1 225770253 GEAKQWHXOYUQGO-LBPRGKRZSA-N 292.383 1.222 0 50 CDAA CCC[C@@]1(C2CCNCC2)NC(=O)N(CCCCF)C1=O 67868648 GIQJMZVGZYLYJT-HNNXBMFYSA-N 299.390 1.826 0 50 CDAA NC(=O)CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71759922 LFOHQHAGFOYVRZ-LBPRGKRZSA-N 296.754 1.505 0 50 CDAA C[C@H](O)CN1CCN(Cc2ccncc2Cl)[C@H](C)C1 249497015 HEIOMEBPWIOLOD-NEPJUHHUSA-N 283.803 1.622 0 50 CDAA CCNC(=O)N1CCCC2(CCN(C)CC2)CC1 67673848 BTSIYRBNCCHGSW-UHFFFAOYSA-N 253.390 1.914 0 50 CDAA COCC[C@@H](NCc1cn(C)nn1)c1ccc(C)o1 350310634 BBZYITYVRIQVCS-GFCCVEGCSA-N 264.329 1.584 0 50 CDAA O[C@H]([C@H]1CCCN1CCOC[C@@H]1CCCO1)C(F)(F)F 110617864 AEMRESOZUGYQLY-QJPTWQEYSA-N 297.317 1.570 0 50 CDAA CCn1cc(NC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cn1 229413183 KZPCMMQCJOAOMP-OLZOCXBDSA-N 277.372 1.651 0 50 CDAA CCSCCNC[C@]1(O)CCCN2CCCC[C@@H]21 63846831 CBMKAGVJVZAIJY-ZIAGYGMSSA-N 272.458 1.709 0 50 CDAA Cc1cc(CC(=O)NC[C@H](C)Oc2cccnc2)on1 67886628 ACAYVAFFIYCYRY-NSHDSACASA-N 275.308 1.504 0 50 CDAA O=C(C[C@H](C(=O)O)N1CCOCC1)c1ccccc1 343882 DHQOIHCQRDTAFZ-GFCCVEGCSA-N 263.293 1.045 0 50 CDAA in-vitro Cc1[nH]c2ccccc2c1C(=O)N[C@H]1CCC(=O)N[C@H]1C 282111043 GTOQBAQQRAMCSS-CABZTGNLSA-N 285.347 1.873 0 50 CDAA CCN(CCN1CCCCCC1)C(=O)Cn1ccnc1 218981012 YJIKSTADMITFEW-UHFFFAOYSA-N 278.400 1.608 0 50 CDAA COCc1noc([C@H](C)N[C@H]2CCCC[C@H]2CO)n1 253370473 RGSSMHKFNNLJBB-DCAQKATOSA-N 269.345 1.418 0 50 CDAA CCCCS(=O)(=O)N[C@]1(C(F)(F)F)CCOC1 253419071 SRXZLTXUXJRBMQ-MRVPVSSYSA-N 275.292 1.427 0 50 CDAA COc1ncc(-c2nccn2CCn2cccn2)cn1 71748360 SJNRSIJQERHUHH-UHFFFAOYSA-N 270.296 1.245 0 50 CDAA Cc1nn(C)c(C)c1C(=O)NCCc1ccncc1 216391854 CVNSVSWNTJGYGJ-UHFFFAOYSA-N 258.325 1.404 0 50 CDAA CCN1CCO[C@@H](C(=O)N2Cc3ccccc3CO2)C1 377125978 DYPHWHYMZAOBPR-CQSZACIVSA-N 276.336 1.181 0 50 CDAA CN1C[C@]2(CCCN(c3ccc(C(=O)O)cn3)C2)OC1=O 72431946 LIENAJOYGCOUGS-AWEZNQCLSA-N 291.307 1.201 0 50 CDAA CN1Cc2ccccc2C[C@H]1CNc1ncnc2[nH]cnc12 32519383 GBEXVQBTQQUTKD-ZDUSSCGKSA-N 294.362 1.822 0 50 CDAA C[C@H]1CCCN(C(=O)C[C@@H](C)[C@@H]2CCCNC2)[C@H]1CN 156777052 KYKGFSRAWJLFPN-YJNKXOJESA-N 281.444 1.598 0 50 CDAA COC(=O)CCCC(=O)N1CCN(C)c2ccccc21 156765107 DPTZJYTVPXAFFB-UHFFFAOYSA-N 276.336 1.813 0 50 CDAA CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2CN)cc1 237173837 AZYRNMMFIWPNID-VIIAAUOXSA-N 287.363 1.009 0 50 CDAA CCCNC(=O)Cn1ccc(OCc2ccccc2)n1 521396175 MMDHKSQSYNLXKB-UHFFFAOYSA-N 273.336 1.988 0 50 CDAA N[C@H]1CCCN(C(=O)c2cccc(Nc3cnccn3)c2)C1 157801395 RBCYCIGFECQFJB-ZDUSSCGKSA-N 297.362 1.784 0 50 CDAA O=C(c1cc2cccnc2[nH]1)N1CCOC[C@H]1C1CC1 334057175 VYXMGOFVYQNXEG-ZDUSSCGKSA-N 271.320 1.814 0 50 CDAA NCC(=O)NCC1(c2c(F)cccc2F)CCCC1 237965134 MJGKMEQUMQKONV-UHFFFAOYSA-N 268.307 1.852 0 50 CDAA COc1nccnc1N1CCC[C@@H](N2CCCC2=O)C1 71760793 ROBSYQXUMHIVTK-LLVKDONJSA-N 276.340 1.076 0 50 CDAA CCOC(=O)c1ccc(S(=O)(=O)Nc2cnoc2)cc1 604542210 GNKFPBVKUQHEHD-UHFFFAOYSA-N 296.304 1.652 0 50 CDAA O=C([C@H]1CSCN1)N1CCc2c(F)cccc21 335549657 NQMVNWFDIFGZED-SNVBAGLBSA-N 252.314 1.377 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccncc2)C1 284693042 ZCWLFYUASPRYPH-GJZGRUSLSA-N 289.379 1.293 0 50 CDAA COC[C@@H]1CN(c2ccc3nnc(C)n3n2)CC(C)(C)O1 284904741 HUTDFYUHBZWDES-NSHDSACASA-N 291.355 1.063 0 50 CDAA COC(=O)C=C1CN(C(=O)OCc2ccccc2)C1 44682126 RADJACRBEVKPOT-UHFFFAOYSA-N 261.277 1.738 0 50 CDAA CN(C)C1(CNC[C@H]2CCCNC2)CCCCC1 132002507 LRODWBUXCRMVJW-AWEZNQCLSA-N 253.434 1.840 0 50 CDAA CC[C@H](NS(=O)(=O)c1cccc(OC)c1)C1CC(O)C1 220433190 WELSTTUVMKUKHW-MGULZYLOSA-N 299.392 1.523 0 50 CDAA CCO[C@H](C)C(=O)N(Cc1cnn(C)c1)C1CC1 426404225 JISMTXVJTUXGDX-SNVBAGLBSA-N 251.330 1.336 0 50 CDAA Cc1cc(-c2ccc(C(=O)NCCN(C)C)cc2)c[nH]c1=N 426465123 HKNIETGCDRFKDZ-UHFFFAOYSA-N 298.390 1.761 0 50 CDAA COc1ccc(CN(C)CCN2CCCC2)cc1C(=O)O 87829615 KHEVBPDCTBGPPN-UHFFFAOYSA-N 292.379 1.921 0 50 CDAA Cc1cc(CNC(=O)N2CCC[C@]3(CCNC3)C2)ccn1 333638252 UDDYHQGCUBQKIM-MRXNPFEDSA-N 288.395 1.675 0 50 CDAA Cn1nc(I)c2cccnc21 95775075 SRUIXHHHURATSY-UHFFFAOYSA-N 259.050 1.573 0 50 CDAA CN(C)C(=O)CCCNC(=O)c1ccc2c(c1)CCCO2 426484815 OXKHOMOKEAXJBU-UHFFFAOYSA-N 290.363 1.610 0 50 CDAA CCc1ncc(C(=O)NCCCC(C)(C)CO)cn1 97679724 VSEYTVNQPPORMO-UHFFFAOYSA-N 265.357 1.568 0 50 CDAA CCN(CC)[C@H]1CCN(c2nc(C(N)=O)cs2)C1 292954987 GDPMDHQONHSETK-VIFPVBQESA-N 268.386 1.163 0 50 CDAA COCC[C@@]1(C(=O)O)CCCN(C(=O)N2CCCC2)C1 91860796 DJOMXLPXHVCBJA-AWEZNQCLSA-N 284.356 1.406 0 50 CDAA CCOC(=O)c1sc(N2CCC(N)CC2)nc1C 142650830 IHASGUKNMZSMIU-UHFFFAOYSA-N 269.370 1.556 0 50 CDAA N#CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 144373845 XGZHTZSSDTXKME-LLVKDONJSA-N 262.265 1.670 0 50 CDAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1nccs1 239321938 IYGBPWXPTHMPIX-NXRLNHOXSA-N 264.306 1.279 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)n2cc(Cl)cn2)[C@H]2CC[C@H]1O2 239338795 LGGURPIPWWDILZ-FNCVBFRFSA-N 270.672 1.055 0 50 CDAA O=C(NCCOCc1ccccc1)[C@@H]1CCCCO1 97743110 PLWIAVXOCDQBTB-AWEZNQCLSA-N 263.337 1.889 0 50 CDAA Cn1ccc2ccc(C(=O)NCCCN3CCCC3=O)cc21 91831162 IMFGHKOOOYQMFI-UHFFFAOYSA-N 299.374 1.921 0 50 CDAA CC1(C)OC[C@H](COC(=O)C(C)(C)Br)O1 95100115 BXRUOWPXJMBIIZ-ZETCQYMHSA-N 281.146 1.855 0 50 CDAA CCCc1ncncc1-c1nc([C@H]2CCOC2)no1 96132029 SAZGROUYPUTKKS-VIFPVBQESA-N 260.297 1.983 0 50 CDAA CC(=O)Nc1ccc(F)c(C(=O)NCC2(C(=O)O)CC2)c1 621572623 SBHNHGXUNQIDCM-UHFFFAOYSA-N 294.282 1.379 0 50 CDAA COc1cc2nccc(N3CC[C@@H](O)C3)c2cc1OC 298142932 CYACOWKERXLRDJ-SNVBAGLBSA-N 274.320 1.823 0 50 CDAA COC(=O)[C@H]1[C@H]2[C@H]3[C@H]4[C@H]([C@H]1C(=O)OC)[C@@H]1[C@@H]2[C@]1(C)[C@]34C 253595804 JAJDGRWTMITQCP-DCOWXMELSA-N 276.332 1.343 0 50 CDAA CC[C@H](C)NC(=O)N1CCN(Cc2c(C)noc2C)CC1 257197415 BQOFHDOBHKBGGW-NSHDSACASA-N 294.399 1.917 0 50 CDAA C[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)O 299753216 XHQRUQQMEISWMQ-MFKMUULPSA-N 295.310 1.316 0 50 CDAA O=C(CCCn1cnnn1)Nc1ccc(Cl)cn1 524734239 MGBYNRYAFUJURR-UHFFFAOYSA-N 266.692 1.140 0 50 CDAA CC[C@H](NC(=O)c1[nH]cnc1C)c1ncnn1CC 534655047 DYJDHZSACORDFE-VIFPVBQESA-N 262.317 1.211 0 50 CDAA CCC[C@@H](CNc1cncc(N(C)C)n1)N(C)C 534667046 UDNDJLQNHIVVHO-NSHDSACASA-N 251.378 1.685 0 50 CDAA C[C@@H](NC(=O)Cn1ccnc1)c1nncn1C1CCCC1 299782477 VTJQMPFSCCGNSC-LLVKDONJSA-N 288.355 1.467 0 50 CDAA CC(C)c1nc(CNC(=O)CCc2nncn2C)cs1 299765262 DJKANPGNWULSHP-UHFFFAOYSA-N 293.396 1.644 0 50 CDAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3ccncc3)[C@H]2C1 299781368 QZEBWKDZMXAUQX-IJEWVQPXSA-N 290.363 1.880 0 50 CDAA CCO[C@H](C)C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653331955 YKJDXNCZLLHSFH-JIMOISOXSA-N 277.320 1.841 0 50 CDAA Cc1cc(C)c(C(=O)N[C@H](C)c2n[nH]c(C)n2)c(O)n1 825109357 BEDKPNQBBWUIDO-MRVPVSSYSA-N 275.312 1.322 0 50 CDAA CCc1cc(N[C@H]2CC(=O)N(C)C2)nc(N2CCCC2)n1 823503697 ANJIIFATWQBAKN-LBPRGKRZSA-N 289.383 1.282 0 50 CDAA O=C(C[C@H]1C=CCC1)NCCSc1nc[nH]n1 820385472 GYWVMIPWGKGEFT-VIFPVBQESA-N 252.343 1.369 0 50 CDAA O=C([C@@H](c1ccc(F)cc1)N1CCCCC1)N1CC(O)C1 828636876 MYQINFGETVQCJQ-OAHLLOKOSA-N 292.354 1.556 0 50 CDAA Cc1nn(CCO)cc1CN(C)Cc1cscn1 584903707 VDTCFEVAGSXXID-UHFFFAOYSA-N 266.370 1.272 0 50 CDAA COc1cccc2ncn(C[C@@]3(C)CCN(C)C3)c(=O)c12 584886943 RDCNCHUJPCDKTP-INIZCTEOSA-N 287.363 1.747 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccsc1 584901164 OEGIKBYCXQTSNH-QWRGUYRKSA-N 254.355 1.197 0 50 CDAA Nc1nc(CCNC(=O)C2(Cn3ccnc3)CC2)cs1 670464154 PVSRZDLXGAELMA-UHFFFAOYSA-N 291.380 1.061 0 50 CDAA COC1(OC)CCN(Cc2ccc(F)cc2)C[C@H]1O 874434866 GPTXNINNRJHQHY-CYBMUJFWSA-N 269.316 1.381 0 50 CDAA C[C@H](NCc1cnn2c1CN(C)CC2)c1ccncc1F 952889954 QQLGCMNZSAOLKV-NSHDSACASA-N 289.358 1.713 0 50 CDAA C[C@H](Cn1cccn1)NCc1ccc2o[nH]c(=N)c2c1 1875359124 VGGWAGOYWVCERG-SNVBAGLBSA-N 271.324 1.615 0 50 CDAA COc1cc(C(=O)N[C@@H](C)c2nc(O)n[nH]2)ccc1F 1875354613 YJHYCPZNMFQHPC-LURJTMIESA-N 280.259 1.149 0 50 CDAA CC(C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)=C1CCC1 888079471 ZEBVKGRWUGRHRO-YNEHKIRRSA-N 261.325 1.174 0 50 CDAA Cn1cncc1CC(=O)NC1(c2ccccc2)COC1 888564787 LBVBSONVAQKLFB-UHFFFAOYSA-N 271.320 1.005 0 50 CDAA N[C@@]12CCC[C@H]1CN(C(=O)c1ccc(C3CC3)nc1O)C2 1775961274 MBENYALEBSBJEU-MEDUHNTESA-N 287.363 1.618 0 50 CDAA CNc1ncccc1C(=O)N[C@H](CO)c1sccc1C 1362210828 PMQKXUKDTTUWLD-LLVKDONJSA-N 291.376 1.957 0 50 CDAA CCn1c(C)cc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)c1C 1565526494 IVAUJZIZDZXLOA-JSGCOSHPSA-N 289.379 1.675 0 50 CDAA COc1ccc(C)c(NC(=O)N2C[C@H](CO)[C@@H](CO)C2)c1 1565510063 OUICSNKZPZWQFB-VXGBXAGGSA-N 294.351 1.068 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)O)nn1C 306012452 XVOORVDEXOYYLT-LDYMZIIASA-N 265.313 1.054 0 50 CDAA CS[C@H](C)CNC(=O)NC[C@@H]1CCc2nccn2C1 275541681 GVGCTPKDDHXJIS-MNOVXSKESA-N 282.413 1.496 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 276609450 LPXQTJBMWMRHIA-WCQYABFASA-N 277.368 1.931 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)NCCn1cnc2ccccc21 276634344 QSDZGZBMRBYRMA-CHWSQXEVSA-N 287.363 1.968 0 50 CDAA C[C@@H]1NCC[C@@H](C)[C@@H]1NC(=O)c1cccc(C(=O)O)c1 582907710 FCYIPNMWYUZHEZ-NRUUGDAUSA-N 276.336 1.501 0 50 CDAA Cn1cnc2c(N3CCN(CC4CC4)CC3)nccc21 170616253 TWQLIQNKPBCMCS-UHFFFAOYSA-N 271.368 1.500 0 50 CDAA CCC[C@@]1(C)C(=O)NCCN1Cc1noc(C2CC2)n1 187326841 WFADXLANRFVZOS-AWEZNQCLSA-N 278.356 1.438 0 50 CDAA CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[S@@](C)=O)C1 585079725 GJCCCJQGRZZWAK-WTOJCKNJSA-N 288.457 1.382 0 50 CDAA COC(=O)c1occc1NC(=O)COC[C@H]1CCCO1 585124632 KDVYKYPTKYIFMB-SECBINFHSA-N 283.280 1.200 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)[C@H]1C[C@H](F)CN1 188771030 LZSUWWXWEBUPQK-CMPLNLGQSA-N 290.342 1.232 0 50 CDAA COc1ccncc1NC(=O)[C@H]1CCCO[C@H]1C 190802148 YGGRDDCSPUCTIU-UWVGGRQHSA-N 250.298 1.844 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)c2cccc3c2CCC3)CCO1 192887601 ZTXLVWPTNAOCHP-GFCCVEGCSA-N 289.331 1.491 0 50 CDAA OCCn1nccc1C1CCN(C[C@H]2CCC=CO2)CC1 193852859 UZBLQJAMAOQSER-OAHLLOKOSA-N 291.395 1.748 0 50 CDAA Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CC[C@H]3C(N)=O)n2)cc1 654771576 WNEVJNZNXOGRAD-MNOVXSKESA-N 299.334 1.230 0 50 CDAA CC(C)(C)n1cc(CN2CC(=O)Nc3ccccc3C2)nn1 570867847 WLUGZCDYDNZCIA-UHFFFAOYSA-N 299.378 1.987 0 50 CDAA Cc1nn(C)cc1NC(=O)c1nn(C)cc1Cl 1333836088 XUHOGJVSMJLKSL-UHFFFAOYSA-N 253.693 1.368 0 50 CDAA CCOC(=O)c1sc(C[C@@H]2CCNC2)nc1C 720976901 VPPHFJKDXXYHDM-VIFPVBQESA-N 254.355 1.780 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)N2C[C@@H](O)CO2)cc1 1506397630 WDTMQPIRMKKYSC-GFCCVEGCSA-N 264.325 1.320 0 50 CDAA Cc1n[nH]c(C)c1CN1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529196330 YCISIWSKPTVPCT-CZUORRHYSA-N 286.379 1.457 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(C(=O)C1CCNCC1)C2 1704297914 YMFGLPLPZNQBFS-GDBMZVCRSA-N 280.412 1.794 0 50 CDAA Cc1c(S(C)(=O)=O)nnc2c(-c3ccccc3)cnn12 1548338234 NNKHAZKELSQZAF-UHFFFAOYSA-N 288.332 1.503 0 50 CDAA CCN(C)c1ccnc(N2CCCC[C@H](N(C)C)C2)n1 1704338622 VWQYQYKDPUYONO-ZDUSSCGKSA-N 277.416 1.853 0 50 CDAA CNc1nc(N)nc(OC(C(F)(F)F)C(F)(F)F)n1 1232522 HHQVJFBUQNXMSZ-UHFFFAOYSA-N 291.155 1.368 0 50 CDAA biogenic,in-vitro CCc1nc(C)c(CN2CCC(CC(=O)NC)CC2)o1 428223146 OUOLVOJTPBQKMP-UHFFFAOYSA-N 279.384 1.894 0 50 CDAA Cc1ncc(C(F)(F)F)cc1C(=O)N1C[C@H](N)C[C@H]1C 638928957 DAYXQXAILJYUPU-GMSGAONNSA-N 287.285 1.971 0 50 CDAA O=C(c1coc(Br)c1)N1[C@H]2COC[C@H]1C2 334509372 OPSCKEKBUZYZKU-HTQZYQBOSA-N 272.098 1.655 0 50 CDAA COC[C@@H]1CCN1C(=O)c1cnc(C(C)(C)C)nc1 554577290 HGOAOGKBBNFVRV-NSHDSACASA-N 263.341 1.635 0 50 CDAA Cc1ncsc1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 682556429 JBNZVESHSFILGY-JBLDHEPKSA-N 265.382 1.537 0 50 CDAA O=C(O)[C@@H](c1cccc(Cl)c1)N1CCS(=O)CC1 574212792 FADZZLPXNKWPGT-LLVKDONJSA-N 287.768 1.530 0 50 CDAA CC[C@@H]1CN(C(=N)NCC[C@H]2CCCO2)C[C@@H](CC)O1 1615592719 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COC(=O)C1CCN(C(=O)NCc2ccncc2)CC1 114907597 UWAHSUGSXSXEFR-UHFFFAOYSA-N 277.324 1.176 0 50 CDAA CCCCN(C)c1ccc(C(=O)NCCNC(N)=O)cc1 118658236 GJLXMHTWZFAAJU-UHFFFAOYSA-N 292.383 1.321 0 50 CDAA COCCN1CN(C(=O)N[C@H]2CCC[C@H](C)C2)CC1=O 332742800 KJINMLMQIMNGTR-RYUDHWBXSA-N 283.372 1.023 0 50 CDAA CCC1(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)COC1 907938791 JLKWRRDLPBXMFO-XWLWVQCSSA-N 267.325 1.029 0 50 CDAA C[C@H](O)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 824690565 UDWZGLLWPNXIBW-ONGXEEELSA-N 291.330 1.209 0 50 CDAA COc1cc(OC)cc(C(=O)NC[C@H]2CCCO2)c1 2807326 ILJONPJZHPFFMA-LLVKDONJSA-N 265.309 1.613 0 50 CDAA COC[C@](C)(CC(=O)O)NC(=O)C1C(C)(C)C1(C)C 237083178 KURXLTTXRDAKQY-AWEZNQCLSA-N 271.357 1.665 0 50 CDAA C[C@@H]1OCCN(C(=O)c2cccc(C(=O)O)c2)[C@H]1C 237384680 JDZDHOKQIHUMQG-UWVGGRQHSA-N 263.293 1.634 0 50 CDAA O=C(O)c1cccc(C(=O)N2CC[C@]3(CCOC3)C2)c1 238206755 MZJMGJXGEGXURC-HNNXBMFYSA-N 275.304 1.637 0 50 CDAA O=S(=O)(c1ccco1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253396118 KQUSWGKOJIVDLJ-JHJVBQTASA-N 299.392 1.984 0 50 CDAA O=C(NC[C@]1(O)CCNC1)Nc1cccc(Cl)c1 299782745 UGPHRIVEVLHEKL-LBPRGKRZSA-N 269.732 1.186 0 50 CDAA CC[C@@H](C)C[C@@H](NC(=O)c1cnsn1)C(=O)O 400531845 VVBXBIIGCOSMSR-RNFRBKRXSA-N 257.315 1.157 0 50 CDAA CCn1c(C)nnc1CN1CC[C@@](O)(C(F)(F)F)C1 407947698 HVOIWGFUOKJEEJ-JTQLQIEISA-N 278.278 1.106 0 50 CDAA Cc1cc(O)nc(CCN[C@@H]2CCCSC2)n1 584891592 QTQRVKKFZNGARX-SNVBAGLBSA-N 253.371 1.518 0 50 CDAA N=c1[nH]cc(C(=O)N2CC[C@](O)(c3ccccc3)C2)s1 584895228 NNMMSVPHHQFTIU-CQSZACIVSA-N 289.360 1.289 0 50 CDAA Cc1nnsc1CNC[C@H](O)c1c(F)cccc1F 384260199 PDPHHMJKZSQWMU-JTQLQIEISA-N 285.319 1.948 0 50 CDAA CCc1ccc2c(c1)N(C(=O)C[C@@H]1COCCN1)CCC2 2325799259 BQLFLDMUGLTAON-OAHLLOKOSA-N 288.391 1.907 0 50 CDAA C[C@H](NC(=O)c1cnn(C)n1)c1ccc(C(F)(F)F)nc1 874644028 MNROYDIONYTZLR-ZETCQYMHSA-N 299.256 1.720 0 50 CDAA O=C(O)[C@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)[C@@H]2C1 907945876 DOEHEOPCNQTOMY-GYFJUXSHSA-N 263.337 1.648 0 50 CDAA COc1ccc(C(C)(C)C(=O)N2CC[C@H](N)C2)cc1OC 152289253 JZNFMHHHYMXBHI-LBPRGKRZSA-N 292.379 1.541 0 50 CDAA CC1(C)C[C@@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 181025 YCLVBOXFEBJBML-CHWSQXEVSA-N 296.348 1.599 0 50 CDAA biogenic CCOc1ccc(C(=O)CSc2nnc(C)n2N)cc1 401020 PTUYNTBJOSKAJR-UHFFFAOYSA-N 292.364 1.674 0 50 CDAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nccs1 433161 WXZWNOAGMLCICB-SFYZADRCSA-N 254.311 1.973 0 50 CDAA CCOC(=O)c1[nH]c(C(=O)OCC)c2c1OCCO2 2563933 PRLDMMBRDYVWRG-UHFFFAOYSA-N 269.253 1.139 0 50 CDAA CCCC[C@H](CC)CNC(=O)C(=O)NC[C@H]1CCCO1 2906298 NOZARZVBJZWMFG-QWHCGFSZSA-N 284.400 1.614 0 50 CDAA Cn1cc(CN(Cc2ccn3ncnc3c2)C2CC2)cn1 2356162630 HGYVEKWQJRKFCE-UHFFFAOYSA-N 282.351 1.627 0 50 CDAA CCN1CCN(C(=O)c2c(F)cccc2F)CC1 4568646 ONVYGJQFWSUQBW-UHFFFAOYSA-N 254.280 1.743 0 50 CDAA Cn1ccnc1[C@H](NCC1CCOCC1)C1CCOCC1 343406736 VOARULCNIDPFCX-OAHLLOKOSA-N 293.411 1.904 0 50 CDAA CN1CCN(Cc2cccc(F)c2F)C[C@H]1CCO 104486509 LYONPMWCRZCWSQ-GFCCVEGCSA-N 270.323 1.463 0 50 CDAA COc1cc(Br)cn2ncc(C=O)c12 118691864 BCHJGYDHRZVDKR-UHFFFAOYSA-N 255.071 1.918 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@H]2C(c3ccccc3)=C[C@H]21 105346998 ODRYVRQFMJDTPV-ZQDZILKHSA-N 293.326 1.344 0 50 CDAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cn[nH]c1C 248027056 KPCPCQAINIYJFJ-UONOGXRCSA-N 276.384 1.807 0 50 CDAA COC(=O)C1(C(=O)NCc2ccccc2-n2ccnc2)CC1 135352959 CQPRGVKOIOSXPJ-UHFFFAOYSA-N 299.330 1.442 0 50 CDAA CCc1cc(N[C@H]2CCNC2=O)nc(N2CCCCC2)n1 65489145 SITFRTGUZYWUCV-LBPRGKRZSA-N 289.383 1.330 0 50 CDAA CCc1c(C)nn(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1C 1074567830 OFIZXUGLESADNK-BFHYXJOUSA-N 277.368 1.356 0 50 CDAA O=C(c1cc2c(cn1)OCCO2)N1CCC[C@@]12CCOC2 424817897 DZXQDLSIWBCITK-HNNXBMFYSA-N 290.319 1.248 0 50 CDAA O=C(O)[C@H]1CS[C@H](c2c(F)cc(F)cc2F)N1 53724 UHKSPZGOKXICPS-VXNVDRBHSA-N 263.240 1.892 0 50 CDAA Cc1cccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)c1C 1087959 JNWYJLBTZGKFJE-AAEUAGOBSA-N 279.361 1.453 0 50 CDAA Cc1nc2ccc(NC(=O)c3ccc4nccn4c3)cn2n1 355393755 OUMXQMBZQZPNNV-UHFFFAOYSA-N 292.302 1.938 0 50 CDAA Cc1ccc(C)c(CC(=O)NCCN2CCOCC2)c1 30753224 DRXCOHZNSMDNSV-UHFFFAOYSA-N 276.380 1.294 0 50 CDAA O=Cc1cc(F)ccc1OCC(=O)N1CCCC1 236169059 DEHVGEAQGBPFIE-UHFFFAOYSA-N 251.257 1.639 0 50 CDAA COC(=O)[C@]1(c2ccc(Br)cc2)CO1 218777352 IPFVRESNIKTZHL-SNVBAGLBSA-N 257.083 1.848 0 50 CDAA O=C([C@H]1CCCOC1)N1CC[C@H](Oc2cccnc2)C1 123223063 UWACSFSLPKRDJX-JSGCOSHPSA-N 276.336 1.488 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H](NC2COC2)C1 71792050 MVRZYWPCHJFVKP-SNVBAGLBSA-N 256.346 1.374 0 50 CDAA O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC(F)(F)F 126675495 IVDXTUQGNMUPQV-GFCCVEGCSA-N 284.237 1.942 0 50 CDAA CSCCC(=O)N1CCN(c2ccncc2C)CC1 219295400 GDYMHXOXGLIVHM-UHFFFAOYSA-N 279.409 1.792 0 50 CDAA COC(=O)c1ccnc(NC(=O)NCC(F)(F)F)c1 253418317 HERWIBNFAQXFAW-UHFFFAOYSA-N 277.202 1.552 0 50 CDAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2ccon2)c1 282432899 JCAIFARDNKTQGG-RISCZKNCSA-N 288.303 1.631 0 50 CDAA C[C@H]1COCC[C@H]1NC(=O)c1ocnc1C1CC1 332912187 ZOHRWCVWPANJSI-WCBMZHEXSA-N 250.298 1.707 0 50 CDAA O=C([C@H]1CCOC1)N1CCCN(Cc2ccncc2)CC1 77387684 VKPMSAWZJSNZRV-HNNXBMFYSA-N 289.379 1.152 0 50 CDAA O=C(CN1CCOCC1)NCCCOC1CCCCC1 76427160 ZEPOBZQARGYOES-UHFFFAOYSA-N 284.400 1.174 0 50 CDAA COC[C@H]1CCCCN1C(=O)NC[C@H]1CCCO1 334108364 ZURIGLAVUDYEOW-VXGBXAGGSA-N 256.346 1.376 0 50 CDAA CNC(=O)c1ccc([C@H]2CCCCN2C(C)=O)n1C 334663206 QZAJVDVKRZLENF-GFCCVEGCSA-N 263.341 1.458 0 50 CDAA COc1cc2c(cc1CNC(=O)[C@H]1CC[C@@H](N)C1)CCC2 72410086 ILDAAWRFWHLADG-DZGCQCFKSA-N 288.391 1.928 0 50 CDAA CC1=NO[C@@](C)(C(=O)N2CCCn3cncc3C2)C1 72153593 KUPDRDPGIQVTEJ-CYBMUJFWSA-N 262.313 1.170 0 50 CDAA CCc1nnc2n1C[C@H](NC(=O)NC1CCC1)CC2 376279260 CNWUKPRTOOERRZ-SNVBAGLBSA-N 263.345 1.007 0 50 CDAA O=C1C[C@@H](NC(=O)c2cnc[nH]2)c2ccccc2N1 219178480 MIJAIEAJQUOJIH-SNVBAGLBSA-N 256.265 1.223 0 50 CDAA Cc1cc(C2CCC2)nc(NCCN2CCNC2=O)n1 71749997 SJZCRBGKJPRDQB-UHFFFAOYSA-N 275.356 1.490 0 50 CDAA COc1ccc2c(c1)[C@H](C(=O)N1CC(O)(C3CC3)C1)CC2 336416798 MWSDPCZFDWSRQQ-CQSZACIVSA-N 287.359 1.708 0 50 CDAA Cn1cc(CCCNC(=O)CCC(F)(F)F)cn1 79933288 FQUQXGQGWJDHFV-UHFFFAOYSA-N 263.263 1.811 0 50 CDAA CC[C@H]1CN(CCCN2CCN(C(C)C)CC2)C[C@@H]1O 337313526 HCFBTYSCDLPTLE-HOTGVXAUSA-N 283.460 1.105 0 50 CDAA O=C(Nc1ccc(F)cn1)N1CC(O)(C(F)F)C1 606444638 RWTCFUZHSVJSAH-UHFFFAOYSA-N 261.203 1.064 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1CCC(c2ccncn2)CC1 221170112 VMPRUJYAYOXALY-UHFFFAOYSA-N 299.378 1.847 0 50 CDAA Cc1c(C(=O)N[C@@H]2CCOC[C@H]2O)[nH]c2c(F)cccc12 222486404 BNPLYDZZOPJXGN-VXGBXAGGSA-N 292.310 1.495 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)Cc3nonc3C)C[C@@H]2C1 220262046 ALQZNGXGLMECBS-NEPJUHHUSA-N 261.325 1.735 0 50 CDAA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cccn1C 223024232 FOHOGRGUXOMPPB-UKRRQHHQSA-N 292.379 1.895 0 50 CDAA CC(C)c1nnc([C@H](C)NC(=O)COc2cccnc2)o1 221182479 OZNQRLPDMXHVCH-JTQLQIEISA-N 290.323 1.844 0 50 CDAA CCC[C@H](NC(=O)c1ccc(N)nc1)c1nccn1C 223266825 ZDRLGMUTNUZAHK-NSHDSACASA-N 273.340 1.669 0 50 CDAA CC(C)N1CCC[C@H](C(=O)NCCc2ncc[nH]2)C1 426478141 QYUQTLFBQBPDAO-LBPRGKRZSA-N 264.373 1.189 0 50 CDAA CC(C)(CO)NC(=O)[C@H]1CCOc2ccccc2C1 95527657 ZAOCRVNDXLWEBS-LBPRGKRZSA-N 263.337 1.515 0 50 CDAA OC1(Cn2ccnc2)CCN(Cc2ccccc2)CC1 95221180 GUVQIDJBSBWXEJ-UHFFFAOYSA-N 271.364 1.910 0 50 CDAA O=C(O)c1cncnc1NC[C@H](O)c1ccccc1F 95387616 MJAKYYURARKYQO-NSHDSACASA-N 277.255 1.459 0 50 CDAA O=C(NCCc1ncc[nH]1)[C@@H]1CCCN2CCCC[C@H]12 426490702 YVLNGUJEYNHUJO-CHWSQXEVSA-N 276.384 1.333 0 50 CDAA CCC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 91602636 RHWIRHOAAHUFBS-NWDGAFQWSA-N 265.284 1.862 0 50 CDAA Cc1nc(C(C)C)oc1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 293412118 PDASTWVBHQKHJF-SNVBAGLBSA-N 291.351 1.600 0 50 CDAA COC(=O)[C@H]1CCC(=O)CN1C(=O)OCc1ccccc1 95629924 HFKHJRQXLOFHNO-CYBMUJFWSA-N 291.303 1.530 0 50 CDAA COc1cccc([C@@H]2CN(C(C)=O)C[C@H]2C(=O)O)c1OC 91657405 PIQXODUCEQQPRJ-NWDGAFQWSA-N 293.319 1.350 0 50 CDAA O=C1CCCCN1CCc1ncnn1-c1cccc(F)c1 91933542 VSEHLCRKKNEJRD-UHFFFAOYSA-N 288.326 1.961 0 50 CDAA Cc1cnc(N)nc1N1CCc2nnc(C(C)C)n2CC1 91624934 LRSJJSBKWUYCNH-UHFFFAOYSA-N 287.371 1.145 0 50 CDAA CCCc1cc(-c2nc(CN3CCOCC3)no2)[nH]n1 95390502 LAWSMFDSBQYRPK-UHFFFAOYSA-N 277.328 1.244 0 50 CDAA Cc1nc(O)cc(CNC(=O)[C@@H](C)N2CCCCCC2)n1 244758174 OTNKUWFUSACFOK-LLVKDONJSA-N 292.383 1.371 0 50 CDAA Cc1cnc2c(c1)N(C(=O)Cc1cnn(C)c1C)CCO2 297711817 JIIPWUXGIGNRJR-UHFFFAOYSA-N 286.335 1.400 0 50 CDAA COC(=O)C[C@@]1(C(=O)OC)CCN1C(=O)OC(C)(C)C 606241655 QZBKGCLOQLNBBY-CYBMUJFWSA-N 287.312 1.102 0 50 CDAA CNC[C@@H]1CCN(C(=O)Cc2ccc(OC)cc2Cl)C1 299738695 FIPJXIMJENRQLY-NSHDSACASA-N 296.798 1.959 0 50 CDAA O=C(NCc1cc(-c2ccco2)on1)N1CCOCC1 534591629 CICPPBYLRIHFIT-UHFFFAOYSA-N 277.280 1.476 0 50 CDAA Cc1nn[nH]c1C(=O)N1CCCC2(CCNCC2)CC1 534644795 VAQWEQHBLYUDTE-UHFFFAOYSA-N 277.372 1.109 0 50 CDAA C[C@@H](CN1CCCC1)C(=O)N(C)CCn1ccnc1 827627207 QOQWQWVMIPUCMR-ZDUSSCGKSA-N 264.373 1.073 0 50 CDAA Cc1cc(C)n(CCCC(=O)NCc2cnn(C)c2C)n1 584887629 TXXPJKRIJJJHFX-UHFFFAOYSA-N 289.383 1.638 0 50 CDAA Cc1ccc2c(=O)n(Cc3cnn(C)c3)cnc2c1C 584891426 XNPPNMVKBDNNKA-UHFFFAOYSA-N 268.320 1.795 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)c2cncc(=O)[nH]2)c1 584903723 NCRFGGDUUCYFHG-UHFFFAOYSA-N 272.308 1.054 0 50 CDAA Cc1ccccc1N1CCC(N[C@H]2CCCNC2=O)CC1 584896275 GZTGZLRHGHOTJV-HNNXBMFYSA-N 287.407 1.832 0 50 CDAA CCOC(=O)N1CCC(N[C@@H](C)c2n[nH]c(=N)s2)CC1 584901149 CWRJGAKJCCMPSW-QMMMGPOBSA-N 299.400 1.222 0 50 CDAA COc1ccc(CN2CC[C@H](C(C)(C)O)C2)cc1O 670445264 OGPICWMYBFGETD-LBPRGKRZSA-N 265.353 1.994 0 50 CDAA CCCn1ccc2ccc(NC(=O)C(=O)NCCO)cc21 268406593 BUZRBRGBJISBLV-UHFFFAOYSA-N 289.335 1.098 0 50 CDAA CCn1nc(C)cc1C(=O)N1CC[C@H](c2n[nH]cc2N)C1 864381291 XCZHNKQGCCXEGF-JTQLQIEISA-N 288.355 1.146 0 50 CDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)C(=O)c2ccc[nH]2)n[nH]1 952889085 SHTBPODQHCBNRU-ZYHUDNBSSA-N 289.339 1.086 0 50 CDAA Nc1nc(C(F)F)nc(N2CC[C@H](c3cccnc3)C2)n1 872581155 ISWNIPQIDSFYBH-VIFPVBQESA-N 292.293 1.780 0 50 CDAA CSc1cccc(N2C(=O)N3C[C@H]4C[C@@]3(CO4)C2=O)c1 1875283235 KIJUYTISZNMZNW-QMTHXVAHSA-N 290.344 1.718 0 50 CDAA COc1ccc([C@H]2NC(=O)[C@@H](CC(C)C)NC2=O)cc1O 1875278788 FNBHOWGXBVZSPF-ZWNOBZJWSA-N 292.335 1.103 0 50 CDAA CN(C)[C@@H]1CCN(c2cc(O)nc3cnccc23)C1 1875307014 UCYUYECKFGJXHG-SNVBAGLBSA-N 258.325 1.476 0 50 CDAA COCC(C)(C)CN[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875399438 CECQWWXKKDRXMD-MGPQQGTHSA-N 281.400 1.285 0 50 CDAA CCN(CC)C(=O)N1CCC([C@H]2C[C@H](N)CCO2)CC1 1875340107 LOGASSOXKLTGGM-ZIAGYGMSSA-N 283.416 1.667 0 50 CDAA C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1ccccn1 877949169 WKUOFYGITYWUMD-HZMBPMFUSA-N 270.336 1.787 0 50 CDAA CN1[C@H]2CC[C@H]1CC(O)([C@@H](N)CCC(F)(F)F)C2 958528640 RDPLTQMQLVFVNE-GUBZILKMSA-N 266.307 1.644 0 50 CDAA C[C@@H](CN1CCc2ccccc2C1)NCc1ncc[nH]1 952989607 WLGGEECVGJUUGF-ZDUSSCGKSA-N 270.380 1.946 0 50 CDAA CN1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C)C[C@@](C)(C1)C2 952984451 LCHXAJWORFJRRT-CWRNSKLLSA-N 279.428 1.271 0 50 CDAA Cc1cc(=O)c([C@H](CC(=O)O)c2cccnc2)c(O)n1C 888090599 KMPZUGJUYVGHLS-LLVKDONJSA-N 288.303 1.401 0 50 CDAA Cc1cc(CC(=O)N(CCO)Cc2ccc(F)cc2)on1 952874122 WTSOTHLZNCXYKW-UHFFFAOYSA-N 292.310 1.686 0 50 CDAA CSc1nc(Cl)c(C)c(N2CCNC(=O)[C@@H]2C)n1 1775990738 ZCSHFOMRYUKNCB-ZETCQYMHSA-N 286.788 1.485 0 50 CDAA Cc1ncccc1CN1c2ccccc2C[C@H]1C(N)=O 1775986362 HHOZAPLFDDSDBQ-HNNXBMFYSA-N 267.332 1.807 0 50 CDAA Cn1cc2c(n1)CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O 1535646290 VTJVLMHLDUBAKZ-JTQLQIEISA-N 281.312 1.339 0 50 CDAA C[C@@H](c1cccnc1)n1cc(CN2CCOC[C@H]2C)nn1 899210671 CLQZUKASUDYXQH-OLZOCXBDSA-N 287.367 1.503 0 50 CDAA CCC(CC)N1C[C@@H](C(=O)N[C@@H](C)c2cn[nH]c2)CC1=O 270225659 MDGYKSZURQNXBH-QWRGUYRKSA-N 292.383 1.624 0 50 CDAA CCCN(C(=O)C1CCCCC1)[C@H]1CC(=O)N(C)C1=O 407980305 HMZFKQDSIKNAIY-LBPRGKRZSA-N 280.368 1.563 0 50 CDAA Cc1cc(O)nc(C(=O)NCC2(C)CCN(C)CC2)c1 408047094 YYTLHYUOWYNWQT-UHFFFAOYSA-N 277.368 1.557 0 50 CDAA Cn1ncc2cnn(C[C@H](O)c3ccccc3F)c2c1=O 305276744 BBJWMROOIQTDSF-LBPRGKRZSA-N 288.282 1.003 0 50 CDAA CC(C)(C)c1nc(=N[C@@H]2CCc3ncnn3C2)s[nH]1 408319454 JAMLNCCUFMOUKT-MRVPVSSYSA-N 278.385 1.276 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 408474923 YUEDIDOGLNIFOC-CHWSQXEVSA-N 280.368 1.230 0 50 CDAA O=C([C@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@H](c2ccco2)C1 408422398 HYXITVYVBZIATJ-CZXHOFHRSA-N 277.320 1.747 0 50 CDAA Cc1cc(C(=O)N2CCC(n3ccnc3)CC2)cc(O)n1 271931052 ITFORZWSXZNINB-UHFFFAOYSA-N 286.335 1.769 0 50 CDAA Cc1ccc(O)c(C(=O)N2CCN3C(=O)CC[C@@H]3C2)c1 168576927 DEQGGCUUTXCPJO-LLVKDONJSA-N 274.320 1.147 0 50 CDAA CCc1ncnc(N[C@H]2CCO[C@@H]2c2nccn2C)c1F 275410417 CZRUEIHSPGBJSB-JQWIXIFHSA-N 291.330 1.854 0 50 CDAA CC[C@H](CSC)NC(=O)c1c[nH]nc1[C@@H]1CCOC1 276354657 RKJLMGQKJVAPSM-NXEZZACHSA-N 283.397 1.785 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)NCc1cccc(C(N)=O)c1 188232496 FSOSQCJKFPLERB-ZWNOBZJWSA-N 276.336 1.217 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(CN(C)C)ccn1 188918570 ZDFODLVHTWRURH-WCQYABFASA-N 277.368 1.897 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCn3cncc32)c2c(C)noc2n1 585122603 FZSTZPIOFRKHJR-NSHDSACASA-N 297.318 1.911 0 50 CDAA CC1(C)CNC(=O)[C@@H]1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585127583 DQNBXWAAPSBWGN-ZPFDUUQYSA-N 264.369 1.454 0 50 CDAA COCCn1ccc(NC(=O)[C@H]2CCCO[C@H]2C)n1 190985957 WNYULFKNIQECIN-QWRGUYRKSA-N 267.329 1.283 0 50 CDAA NCCC(=O)N1CCC[C@H]1Cc1cccc(F)c1 195542304 TUZWVDKEMLLRQE-ZDUSSCGKSA-N 250.317 1.708 0 50 CDAA NCC12CCC(CC1)CN2C(=O)c1ccc(C(N)=O)cc1 577382278 DUCYFCLAXQVYSX-UHFFFAOYSA-N 287.363 1.129 0 50 CDAA Cc1cc(C(=O)N(C)c2ccc(C(N)=O)cc2)ns1 766432850 COVFGJNUGTULJM-UHFFFAOYSA-N 275.333 1.827 0 50 CDAA Nc1cc(C(=O)OCc2ncccn2)cc(Cl)n1 791367476 ZSLCSKBQCWRLDD-UHFFFAOYSA-N 264.672 1.464 0 50 CDAA Cc1cccc(OC2CN(c3ccc(C(=O)O)nn3)C2)c1 1506420726 ADSJSWVIHYGINY-UHFFFAOYSA-N 285.303 1.751 0 50 CDAA O=C(O)c1cnc(NCc2n[nH]c3c2CCCCC3)cn1 1506405829 CWZLPCQBRMFRPH-UHFFFAOYSA-N 287.323 1.779 0 50 CDAA CO[C@H]1COCC[C@@H]1Nc1ncc(F)c(N2CCCC2)n1 1506395872 BADLBHOWFLSQMA-RYUDHWBXSA-N 296.346 1.432 0 50 CDAA Cc1c(NC(=O)CC2CNC2)cccc1-c1nncn1C 1506423677 HEEBPZAEFFMDQZ-UHFFFAOYSA-N 285.351 1.339 0 50 CDAA Cc1noc(CN(C)[C@@H]2CCOC3(CCNCC3)C2)n1 1857672623 IJNVGHPNJHZQBD-GFCCVEGCSA-N 280.372 1.111 0 50 CDAA C[C@H]1CN(c2nnnn2-c2ccccc2)C[C@]1(O)C1CCC1 212899519 FXECHYAPDWWVTP-BLLLJJGKSA-N 299.378 1.650 0 50 CDAA O=C(O)[C@@H]1CC[C@@H](C(=O)NCCCC(F)(F)F)O1 222763157 JMOGLGWDVHGOHP-BQBZGAKWSA-N 269.219 1.077 0 50 CDAA O=S(=O)(N[C@H]1CC12CCOCC2)c1ccsc1 333050934 GOPMBOBQQXPOSE-JTQLQIEISA-N 273.379 1.596 0 50 CDAA O=C(NC[C@@H](CO)C1CCC1)c1cc2cccn2cn1 1615036924 IZCWCDCNFWVTMN-LBPRGKRZSA-N 273.336 1.473 0 50 CDAA CN1CCN(C(=O)c2ccccc2Br)CC1 19506744 TUFUJLBGPHVUEW-UHFFFAOYSA-N 283.169 1.837 0 50 CDAA in-vitro CN(CC(F)(F)F)C(=O)[C@@H]1NCCOc2ccccc21 1615554444 RYDGHHFJCFXVGY-LLVKDONJSA-N 288.269 1.730 0 50 CDAA O=S(=O)(NCCc1cnoc1)[C@@H]1C[C@@H]1c1ccccc1 1615605706 AMGCNZVFBFIKTL-ZIAGYGMSSA-N 292.360 1.693 0 50 CDAA CNC(=O)[C@H]1CN(CC2(c3ccccc3)CCC2)CCO1 1616034835 VNZDTVFEOIMWPO-OAHLLOKOSA-N 288.391 1.555 0 50 CDAA CO[C@@H](CN1CCN(C)[C@H](c2nc(C)no2)C1)C(C)C 585089072 APIITUJQVSOVPJ-STQMWFEESA-N 282.388 1.338 0 50 CDAA CCn1ccc(C(=O)N2C[C@@H]3C[C@@]3(CC)C2)cc1=O 1772818769 YDIORMFIUJBFFH-WFASDCNBSA-N 260.337 1.740 0 50 CDAA CS(=O)(=O)Nc1cccc(C(=O)Nc2cccnc2)c1 13679881 CJJDFUVZLZVGJN-UHFFFAOYSA-N 291.332 1.705 0 50 CDAA CCOCCCNC(=O)c1nc2ccccc2c(=O)[nH]1 16647541 XSCMYMDGXUIXKC-UHFFFAOYSA-N 275.308 1.080 0 50 CDAA CC(C)=CCN1CCN(Cc2cccnc2)C[C@@H]1CCO 19227990 GJAVRJRMWUNXKF-KRWDZBQOSA-N 289.423 1.916 0 50 CDAA O[C@@H](CN1CCOCC1)c1ccc(-c2cc[nH]n2)cc1 19867833 BGFMPQKIEIFBMR-HNNXBMFYSA-N 273.336 1.442 0 50 CDAA CN1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19899290 MKDLNUCOJUJARG-UHFFFAOYSA-N 288.800 1.417 0 50 CDAA CCc1oc(C(=O)N2CC[C@H](OC)C[C@@H]2CN)cc1C 225570857 OGQNZFRNVKGJOK-NEPJUHHUSA-N 280.368 1.729 0 50 CDAA O=C(NCCC1=CCCCC1)C(=O)NCc1cccnc1 2989390 IDJDHUCWNOHVBJ-UHFFFAOYSA-N 287.363 1.705 0 50 CDAA Cc1nnc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)o1 121353755 TVMKEGUFIQOYGS-GXFFZTMASA-N 295.289 1.964 0 50 CDAA COC[C@@H]1CCCN(c2ccnc(C(N)=O)c2)CC1 450942256 GQBQSEYBMKVSKV-LLVKDONJSA-N 263.341 1.433 0 50 CDAA Cc1ccc(C)c(OCC(=O)N2C[C@@H](F)C[C@H]2CO)c1 347452058 VDWAHADHOPGLOY-STQMWFEESA-N 281.327 1.614 0 50 CDAA COC(C)(C)[C@@H](C)NC(=O)N[C@H]1CCc2nc(C)nn2C1 916377837 KUXWIJROHABQPI-KOLCDFICSA-N 295.387 1.014 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(c2ccc(F)cc2)C1 802621596 GEFKJHUMQQFQNO-FZMZJTMJSA-N 293.338 1.671 0 50 CDAA CN(CC1COCCOC1)C[C@@H]1Cc2ccccc2O1 1857694801 XTVZIVLENMVMOC-HNNXBMFYSA-N 277.364 1.585 0 50 CDAA CCc1cnc(CN2CCC([C@H](F)C(N)=O)CC2)s1 823540979 NGQAZAWJWUWTOS-LBPRGKRZSA-N 285.388 1.741 0 50 CDAA NC(=O)NC1CCN(CC2C[C@H]3[C@H](C2)C3(F)F)CC1 929807431 OYFPJXZZQVCACF-QWRGUYRKSA-N 273.327 1.410 0 50 CDAA CN1CCCC[C@@H](N(C)Cc2noc3c2COCC3)C1=O 931471620 LINZUUXGWWMHKP-CYBMUJFWSA-N 293.367 1.190 0 50 CDAA Cc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1 240084 YYVDVWCUCNEVEN-UHFFFAOYSA-N 295.136 1.656 0 50 CDAA Fc1ccc(N2CCN(CCc3cn[nH]c3)CC2)cc1 219897325 WZVVYGWYLYDANK-UHFFFAOYSA-N 274.343 1.914 0 50 CDAA O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1Cc1ncccn1 228489677 NDXXNZDEYBDLLL-HZSPNIEDSA-N 261.369 1.992 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3ccccc3F)n2C1 260144833 FCTPPVJGMSDLPK-VIFPVBQESA-N 275.283 1.820 0 50 CDAA Cc1nnc(N[C@@H]2CCS(=O)(=O)C2)c2ccccc12 35121174 IJVVOQNKTSFWSY-SNVBAGLBSA-N 277.349 1.537 0 50 CDAA COCC1(CNC(=O)C2CC(F)(F)C2)CCNCC1 262145970 ZMWLWVVDLYZVLK-UHFFFAOYSA-N 276.327 1.164 0 50 CDAA C[C@H]1CN(C(=O)COc2cccc(F)c2)C[C@H](C)N1 179163497 AXWHKRUYDLJJCE-QWRGUYRKSA-N 266.316 1.413 0 50 CDAA O=C(c1cnn2c1CCCC2)N1CC(F)(F)C[C@H]1CO 372553677 BOGCVKGIUVHFQG-VIFPVBQESA-N 285.294 1.062 0 50 CDAA Cc1cc(O)nc(CNc2ncnc3c2CCC3)n1 894376598 GSWPYNCFUQSSCU-UHFFFAOYSA-N 257.297 1.381 0 50 CDAA CCn1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C 99897 OVXNMYPRDXFWDS-UHFFFAOYSA-N 283.331 1.726 0 50 CDAA biogenic COC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 106787 PGECYZDVCGBWNW-GFCCVEGCSA-N 278.308 1.774 0 50 CDAA C[C@H]1CC(=O)NC[C@H]1c1nc(-c2cc[nH]c3nccc2-3)no1 2325783711 WJGPJIKCHNWGJH-GZMMTYOYSA-N 297.318 1.804 0 50 CDAA CN1CCC[C@@H](NC(=O)c2cccc3nccnc23)CC1 2325794738 PAZUSGAFRQPROH-GFCCVEGCSA-N 284.363 1.844 0 50 CDAA CC[C@@H](NC(=O)c1ccc2nnn(C)c2c1)c1cocn1 2325805712 JKSGODYSNQHOSI-SNVBAGLBSA-N 285.307 1.837 0 50 CDAA O=C(Nc1nnc2ccccn12)c1nccc2n[nH]cc12 2325875805 CHAJZVSVPHJSMC-UHFFFAOYSA-N 279.263 1.253 0 50 CDAA C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H]2CCCC[C@H]2C1 245237826 YKSYXOUHZNRPLC-AGIUHOORSA-N 293.411 1.875 0 50 CDAA CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 37311 GYFAOBVTZVAIFI-GFCCVEGCSA-N 283.349 1.403 0 50 CDAA CC(=O)Oc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1 241271 HFSRLRKLRZARAT-UHFFFAOYSA-N 296.282 1.995 0 50 CDAA CCOn1c(=O)c(-c2ccco2)[n+]([O-])c2ccccc21 535295 CGFWYCCWHULQHV-UHFFFAOYSA-N 272.260 1.343 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)C[C@H]1CCOc2ccccc21 342524649 LTLHYILOSVRJLV-GHMZBOCLSA-N 277.320 1.874 0 50 CDAA CCOC(=O)C1CCN(C(=S)NC2CC2)CC1 2436983 HVYSCBUUTBUKKZ-UHFFFAOYSA-N 256.371 1.298 0 50 CDAA O=C(O)c1c[nH]ccc1=Nc1ccc(CCO)cc1 2356162469 CUTCDEWIIKIHGN-UHFFFAOYSA-N 258.277 1.480 0 50 CDAA Cn1c(=O)c(CNC(=O)c2cscn2)cc2ccccc21 343408739 RCCNPHZJHSUDFU-UHFFFAOYSA-N 299.355 1.925 0 50 CDAA CCN(C)[C@@H]1CCN(C(=O)c2cnn(C(C)(C)C)c2)C1 225556951 FREWPTKSACDEHN-CYBMUJFWSA-N 278.400 1.804 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CC2CCCCCC2)CCO1 134062547 SGOKAFMNOCZHIU-GFCCVEGCSA-N 269.341 1.659 0 50 CDAA CCCN(C)S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 246904145 GAQCDJSAUGWJSM-CYBMUJFWSA-N 299.396 1.121 0 50 CDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](C)[C@H]1CN 247331827 VEETYBIGFIDZMU-ZQDZILKHSA-N 298.427 1.546 0 50 CDAA C/C(Cl)=C/CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100957134 RLHSXOHTBSCPIN-UIYCMOEWSA-N 251.713 1.936 0 50 CDAA CO[C@@H](C(=O)N(C)CCN1CCCC1)c1ccccc1 103117341 URHBMKCURBYSSN-OAHLLOKOSA-N 276.380 1.928 0 50 CDAA CCOc1ccccc1-n1c(-c2[nH]cnc2C)n[nH]c1=O 67713019 RHEQICHNYHAJJR-UHFFFAOYSA-N 285.307 1.658 0 50 CDAA CCN1CC[C@H](Nc2nc(C)nc3oc(C)nc23)C1 63869540 JGHNMVDCYWDQCW-JTQLQIEISA-N 261.329 1.741 0 50 CDAA C[C@@H]1C(=O)OC[C@@H]1C(=O)N1CCC[C@@H](CN2CCCC2)C1 20727267 RADYVFJDGDWEBN-IHRRRGAJSA-N 294.395 1.130 0 50 CDAA Cc1nc(C)c(C(=O)NCCN2C[C@@H](C)O[C@H](C)C2)s1 20820279 NZZCTOJTOWLVBD-NXEZZACHSA-N 297.424 1.599 0 50 CDAA O=C1C(=O)N(CN2CCSCC2)c2ccccc21 25558173 VUDXQUPHRIDGMU-UHFFFAOYSA-N 262.334 1.222 0 50 CDAA CC(=O)c1cccc(CN2CCN(C)[C@@H](CCO)C2)c1 20419271 QJFJBLFTFVPJET-INIZCTEOSA-N 276.380 1.388 0 50 CDAA COC(=O)c1[nH]c(CN[C@H](C)[C@H]2CCCO2)cc1C 602511241 OGSQZJVFGRQMMI-ZYHUDNBSSA-N 266.341 1.767 0 50 CDAA Cc1cc(S(N)(=O)=O)c(F)cc1Br 36533108 ATYNVCSFRNYKON-UHFFFAOYSA-N 268.107 1.544 0 50 CDAA COc1cccc(CCCNC(=O)N2CC[C@H](CO)C2)c1 120062448 DAHXXBUWSZMHEW-AWEZNQCLSA-N 292.379 1.652 0 50 CDAA CCN1CC2(CCN(C(=O)c3ccon3)CC2)CC1=O 72476705 FTHKWIAYJDIENX-UHFFFAOYSA-N 277.324 1.149 0 50 CDAA COC(CN1CCC(Cc2cccnc2)CC1)OC 253431214 GNDVLVSJCDTGFB-UHFFFAOYSA-N 264.369 1.955 0 50 CDAA COc1ccnc(CN(C)C[C@H]2CCc3nccn3C2)c1 328630138 JBJMCDKCHOPDBD-CYBMUJFWSA-N 286.379 1.981 0 50 CDAA O=C(CO)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 331324742 NTKIUKZQMJZMQR-SNVBAGLBSA-N 284.306 1.038 0 50 CDAA COC[C@@H](O)CN1CCC(C)=C(c2ccco2)C1 366971317 XTQNKKQRWJGWAH-LBPRGKRZSA-N 251.326 1.766 0 50 CDAA O=C(Nc1nc2c(s1)COCC2)N1CCC[C@@H]1CCO 331771328 LPUDDMVWIHSVRN-SECBINFHSA-N 297.380 1.595 0 50 CDAA COc1cc(CCC(=O)N2CCNC[C@H]2C)cc(OC)c1 124671912 UXEPACJBQMVZEF-GFCCVEGCSA-N 292.379 1.457 0 50 CDAA CCc1nc(CCn2ccnc2-c2nccn2C)no1 77321071 NLZHKYONYXAYJK-UHFFFAOYSA-N 272.312 1.472 0 50 CDAA Cn1ccnc(N2CCC[C@@H]2c2ccccn2)c1=O 525193056 FKUIBJJEVWUKSS-GFCCVEGCSA-N 256.309 1.517 0 50 CDAA C[C@@H]1CC(=O)NCCN1C(=O)c1cccc(-n2cccc2)c1 370995609 ARNDNQNSKAVUES-CYBMUJFWSA-N 297.358 1.828 0 50 CDAA C[C@H]1CC[C@@H](CCC(=O)N(C)Cc2ncc[nH]2)O1 332342698 SSDLFEDDWWWNRG-QWRGUYRKSA-N 251.330 1.716 0 50 CDAA C[C@@H](NC(=O)c1nc[nH]c1C(=O)O)C1=CCCCC1 215887374 NYIZBULYUJRFHX-MRVPVSSYSA-N 263.297 1.727 0 50 CDAA O=C(c1ccoc1Cl)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 286207219 JKJRKVUHLKFXQS-JLLWLGSASA-N 299.754 1.935 0 50 CDAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(C(=O)O)o1 236771238 GWCGTOJHBUFWGY-XROYCOCOSA-N 279.292 1.521 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2cccc(O)n2)C1(C)C 283033951 OTWODOCHZOMDOK-IAQYHMDHSA-N 294.351 1.083 0 50 CDAA O=S(=O)(N[C@@H]1CCCCNC1)[C@@H]1C[C@H]1c1ccccc1 333864614 QTSKETFPUOATFT-QLFBSQMISA-N 294.420 1.604 0 50 CDAA c1cc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)n[nH]1 334140990 CUCWITWDYJQJRU-CYBMUJFWSA-N 271.368 1.932 0 50 CDAA Cn1cc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)nn1 334151370 KOVRZYOMLXMYLD-SECBINFHSA-N 290.289 1.866 0 50 CDAA Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CCCCN3)C2)no1 237773850 WYLKIEKVPQHPPF-OLZOCXBDSA-N 292.383 1.301 0 50 CDAA Cn1nccc1C(=O)N1CCC[C@H]1c1cccnc1 334352188 GXUOOIYYKZHJAQ-LBPRGKRZSA-N 256.309 1.792 0 50 CDAA CC1(CS(=O)(=O)N2CCC[C@H]2C2CCC2)COC1 335724948 YLQWQDZJDBKVEH-LBPRGKRZSA-N 273.398 1.617 0 50 CDAA CCc1ccc(CN2CCC[C@@](O)(CO)CC2)nc1 72145013 NPICSJXQTKYIRV-HNNXBMFYSA-N 264.369 1.353 0 50 CDAA Cc1cc([C@H]2CCCCN2C(=O)CCn2cncn2)no1 223383027 GTQCCVSFVSMFRI-CYBMUJFWSA-N 289.339 1.718 0 50 CDAA COC[C@H]1CN(C(=O)c2oc(CO)cc2C)CC(C)(C)O1 285046035 NVRFWTUCRQSKAK-GFCCVEGCSA-N 297.351 1.346 0 50 CDAA CC(C)(C)c1nnc(NC(=O)N2CCC[C@@H](O)C2)s1 48697144 XYYYHTHPWBGUSP-MRVPVSSYSA-N 284.385 1.824 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 222794538 LNOHMNMVLZIYDR-SCDSUCTJSA-N 288.351 1.299 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCc1ccccn1 426628251 MRRGBNNUCLBIIS-LLVKDONJSA-N 258.325 1.506 0 50 CDAA CSCC[C@H](NC(=O)c1ccn(C)c1C)C(=O)O 426613692 XCLGZZFTPMYCSL-JTQLQIEISA-N 270.354 1.270 0 50 CDAA Cc1oncc1C(=O)NCc1ccccc1-n1cncn1 222651346 CQEAKZWJJNAMPR-UHFFFAOYSA-N 283.291 1.494 0 50 CDAA CC1(C)CN(CCc2nn[nH]n2)C[C@H]1c1ccccc1 426719846 KHGJEWYNEMHKLQ-ZDUSSCGKSA-N 271.368 1.868 0 50 CDAA COc1ccc(-c2nnc(C(=O)N(C)C)[nH]2)c(C)c1 426371968 GOQDICNEEACKOS-UHFFFAOYSA-N 260.297 1.491 0 50 CDAA Cn1ccnc1-c1cn(Cc2cn3c(n2)SCC3)nn1 91644808 HZVAEGKHZDEYEQ-UHFFFAOYSA-N 287.352 1.029 0 50 CDAA C[C@@H]1CN(c2nnc3ccccn23)C[C@@]1(O)C1CCC1 91617011 OIWUTWGGFBECAB-ABAIWWIYSA-N 272.352 1.717 0 50 CDAA Cc1cccc(CNC(=O)N2CCCC[C@H]2CC(N)=O)c1 426424364 NRSSDDJACFJKLP-AWEZNQCLSA-N 289.379 1.935 0 50 CDAA COCC1(C(=O)NCCNc2cccnc2)CCC1 97674440 LGONKOXMJMGRAO-UHFFFAOYSA-N 263.341 1.426 0 50 CDAA CNC1CCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)CC1 179143042 PQKCBSSALFKQLC-SNAWJCMRSA-N 296.802 1.606 0 50 CDAA Cc1ncc2c(c1CNc1ccncn1)CCNC2 91444944 BDJSLZPLEZHISC-UHFFFAOYSA-N 255.325 1.438 0 50 CDAA CCN(CCOC)C(=O)NCc1ccc2nc(O)[nH]c2c1 426472623 DKXFSZOQLQOUHB-UHFFFAOYSA-N 292.339 1.446 0 50 CDAA CC1(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)COC1 91793772 PYTYYBVTFRQKQS-OAHLLOKOSA-N 289.375 1.606 0 50 CDAA CCCNC(=O)[C@H]1CCCN(C(=O)c2csnc2C)C1 179681794 YROLVYZMWXFMSY-NSHDSACASA-N 295.408 1.830 0 50 CDAA Cc1ccc(S(=O)(=O)Nc2ccc[n+]([O-])c2)cc1 230138568 UZRYAWPWCKWBHI-UHFFFAOYSA-N 264.306 1.429 0 50 CDAA Cc1ncnc(N2CCN(c3cccnc3)CC2)c1C 91550372 AHVVZFPAKVEYMC-UHFFFAOYSA-N 269.352 1.815 0 50 CDAA O=C1CCCCN1Cc1nnc(-c2cccnc2)o1 95520229 MRGMGYWWAAJIAG-UHFFFAOYSA-N 258.281 1.644 0 50 CDAA COc1ccc(Cn2cc(-c3cc(N)ncn3)cn2)cc1 97522455 IRGBBWLWJVKCFP-UHFFFAOYSA-N 281.319 1.979 0 50 CDAA CC(C)n1cc(-c2nc(CN3CCOCC3)no2)cn1 96179636 UEPBTCJRKLYEFG-UHFFFAOYSA-N 277.328 1.346 0 50 CDAA CC(C)N(C(=O)Cn1cnc2cnccc2c1=O)C(C)C 162866361 MEWDPYGNTLNTFT-UHFFFAOYSA-N 288.351 1.437 0 50 CDAA O[C@H]1CN(CCCc2ccco2)C[C@@H]1N1CCCCC1 244734386 NEKIAQDBHLSBIU-HOTGVXAUSA-N 278.396 1.743 0 50 CDAA C[C@@]12O[C@@]3(C(F)(F)C(=O)O)[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42 254626713 ATJTZLAAUJOPGP-HZKIMREMSA-N 268.259 1.622 0 50 CDAA CC(C)CC[C@@H]1CCCN1C(=O)NCc1ccc(=O)[nH]n1 297829601 ZXTVRYNABFOAGE-ZDUSSCGKSA-N 292.383 1.880 0 50 CDAA CCn1cncc1CN1CCCN(C(=O)C2CCC2)CC1 252478210 AFMXJYFDMKNJNX-UHFFFAOYSA-N 290.411 1.737 0 50 CDAA CCC[C@H](C)C(=O)N[C@@H]1CCO[C@H]1c1cc[nH]n1 628205977 MHQVWBJPAXZEDZ-HOSYDEDBSA-N 251.330 1.792 0 50 CDAA CNCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C 299738466 BDLHYPLZEHHBHX-ZBFHGGJFSA-N 289.423 1.575 0 50 CDAA O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nnn[nH]1 263588769 YDMFSMJJSFVXMY-JTQLQIEISA-N 288.336 1.681 0 50 CDAA CCc1nc(CCNC(=O)CCCn2cncn2)cs1 299777179 JVCCPCXMXNJREH-UHFFFAOYSA-N 293.396 1.436 0 50 CDAA CC(C)N1CCC(CCNC(=O)c2cncnc2)CC1 299790087 APAWTSZQGUDPOB-UHFFFAOYSA-N 276.384 1.717 0 50 CDAA CC(C)c1nccn1CCCNC(=O)c1csc(N)n1 299777623 QRQDKQMBQMZUCM-UHFFFAOYSA-N 293.396 1.865 0 50 CDAA CCN(C)[C@@H](C)CCNC(=O)N1CC(c2ccncc2)C1 823065550 LXKLDZUMBQJCPK-ZDUSSCGKSA-N 290.411 1.921 0 50 CDAA COCC[C@H]1CCCN(C(=O)c2cncn2C)C1 584895350 SYUWFLVURKWGFQ-LLVKDONJSA-N 251.330 1.309 0 50 CDAA Cc1cccnc1NCCn1cnc2cnccc2c1=O 584897989 VFGICNQNDMZHLN-UHFFFAOYSA-N 281.319 1.607 0 50 CDAA COc1nc(NCCN2CCCCC2=O)ncc1F 670450812 JJZBOABHLHORNH-UHFFFAOYSA-N 268.292 1.049 0 50 CDAA C[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CCO1 1875311263 RTUHRTVIGWMDGI-XZPZHEHLSA-N 267.325 1.027 0 50 CDAA CC(C)c1nc(CCNC(=O)[C@H]2C[C@H]2C(=O)O)cs1 268928489 XDDXWVIZWVTGTD-VHSXEESVSA-N 282.365 1.646 0 50 CDAA O=C(O)C1(c2ccc(Br)cc2)CC(O)C1 66054556 DIFJFJOUEOLYGY-UHFFFAOYSA-N 271.110 1.926 0 50 CDAA in-vitro Cc1cccc(C(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)c1F 952888721 OBUVJBCLNMRWSM-CMPLNLGQSA-N 290.298 1.512 0 50 CDAA C[C@H]1CN([C@@H]2CCC(=O)N(CC3CC3)CC2)C[C@@H](C)O1 952987706 MQRXXCYVJOZVJF-VNHYZAJKSA-N 280.412 1.887 0 50 CDAA O=C1CCN(CCCCF)C(=O)N1CCOCCF 1875293583 WAFVMUUCOBDSEH-UHFFFAOYSA-N 278.299 1.377 0 50 CDAA Cc1cccc(F)c1C(=O)NCC(=O)Nc1ccccn1 1875263566 PQCHLVIBVCUSRB-UHFFFAOYSA-N 287.294 1.898 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3cn[nH]c3)n[nH]c21 1875393688 LBHBYHMRULRFJG-BDAKNGLRSA-N 289.339 1.427 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cnc2ncccc2c1 1875305583 FTUDZRZMWSPUCN-XQHKEYJVSA-N 297.314 1.469 0 50 CDAA Cc1nnc(CN(C)CC[C@H](O)c2ccccc2)o1 244893084 YVJJXSOESKPYCG-ZDUSSCGKSA-N 261.325 1.934 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)NC[C@H](O)c2ccccc2F)C1 269230771 OWIWTLNLZMMZLD-WDMOLILDSA-N 280.343 1.493 0 50 CDAA Cc1nc(CNc2cc(O)ncn2)ccc1[C@@H](C)O 893069376 SEOKXUIINFKFEY-SECBINFHSA-N 260.297 1.551 0 50 CDAA CCCS(=O)(=O)N1CCN(C(CC)CC)CC1 55481710 CXEYSNTZQSKFIT-UHFFFAOYSA-N 262.419 1.532 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CCC2)COS1(=O)=O 1772717889 GCTBLTUQDKZYNQ-UHFFFAOYSA-N 277.342 1.669 0 50 CDAA Cc1cc(=N[C@@H]2COC[C@H]2C)nc(-c2ccncc2)[nH]1 895905111 JJPJRSONDAFORG-ZWNOBZJWSA-N 270.336 1.716 0 50 CDAA CCN(CC(=O)OC)C(=O)c1cc(Cl)c(O)cc1C 1775990828 ZXNWMLYULOAZSV-UHFFFAOYSA-N 285.727 1.989 0 50 CDAA CO[C@@H]1C[C@@H](COc2cccnc2)N(c2nnc(C)o2)C1 1775958826 BMADMUZEOSZAJF-WCQYABFASA-N 290.323 1.446 0 50 CDAA Cc1[nH]nc(NCc2cnn(CC(C)C)c2)c1C(N)=O 1775986729 RMTKHKRNLTZZSI-UHFFFAOYSA-N 276.344 1.282 0 50 CDAA O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@@H](Cn2ccnn2)C1 269804919 ANRZEYIUODUEQM-XGUBFFRZSA-N 286.379 1.729 0 50 CDAA Cc1nc([C@H]2CCCCN2C(=O)c2cn[nH]c2)n[nH]1 407980633 LAZYUQOGTQQVCI-SNVBAGLBSA-N 260.301 1.204 0 50 CDAA O=C(Cc1ccccc1O)NC[C@]1(O)CCc2ccccc21 269936745 VGUCHPRFJLDIPH-GOSISDBHSA-N 297.354 1.885 0 50 CDAA CN(C)S(=O)(=O)c1cc(Br)ccc1F 60321248 QPLSZRHQPKYSLB-UHFFFAOYSA-N 282.134 1.839 0 50 CDAA in-vitro Cc1cc(C)nc(S(=O)(=O)CCOC2CC2)c1 899484899 ZHKSNXDALRSMBJ-UHFFFAOYSA-N 255.339 1.651 0 50 CDAA CCC1(CC)[C@H](NC(=O)N2CC[C@@](C)(O)C2)C[C@H]1OC 185676735 RCHIAALHFCSRBI-YRGRVCCFSA-N 284.400 1.746 0 50 CDAA CC[C@@H]1C(=O)NCCN1CC1CN(C(=O)OC(C)(C)C)C1 585079861 BQPSIXMVIYEJKL-GFCCVEGCSA-N 297.399 1.064 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1nc(O)cc(O)n1 585127842 KVVBVKFYHVCSSK-LPEHRKFASA-N 277.324 1.330 0 50 CDAA COC(=O)[C@H](CC(C)C)NC(=O)CNC1CCCCC1 585116546 AIEIITCOJVRIID-ZDUSSCGKSA-N 284.400 1.613 0 50 CDAA CO[C@H]1CN(C(=O)Nc2ccc(F)cn2)CCO1 585141777 YCVMQEDKZBYKBP-SNVBAGLBSA-N 255.249 1.057 0 50 CDAA CC1=C(c2nc(C(C)(C)C)no2)[C@@H](C)n2nnnc2N1C 585133465 IUSXYLMLMYQWCF-MRVPVSSYSA-N 289.343 1.796 0 50 CDAA CC[C@@H]1C[C@@H](C(=O)NCc2nnc(C(C)C)n2C)CCO1 170595022 YNUZMOCAIZWDER-NWDGAFQWSA-N 294.399 1.760 0 50 CDAA CON(C)C(=O)c1ccc(N2CCCC2)nc1F 39961322 CLZLPSKDHKZPHE-UHFFFAOYSA-N 253.277 1.454 0 50 CDAA in-vitro CO[C@H]1CCCN(C(=O)NCCc2cccnc2)C1 171235419 KSQLKMFNKSUUOC-ZDUSSCGKSA-N 263.341 1.445 0 50 CDAA C[C@H]1C(=O)NCCCN1C(=O)c1cccc(CN(C)C)c1 188091799 FWPMNZPFUMOFEC-LBPRGKRZSA-N 289.379 1.099 0 50 CDAA 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VVKFHYNGBQMMBR-UHFFFAOYSA-N 294.336 1.880 0 50 CDAA CCOCCc1nc(-c2c(C)ncc3c2CCNC3)no1 20601857 HPVUBPZHCHVWHA-UHFFFAOYSA-N 288.351 1.665 0 50 CDAA Cc1noc(-c2ccc(N3CCSCC3)nc2)n1 20599409 OSPSCPUWRVNTRG-UHFFFAOYSA-N 262.338 1.993 0 50 CDAA Cc1cc(N2CCN(C(=O)CCc3cn[nH]c3)CC2)ccn1 20999228 IGJBRIQWKIDOOQ-UHFFFAOYSA-N 299.378 1.395 0 50 CDAA CN(C)C1CCN(S(=O)(=O)CC2CCCC2)CC1 178295206 LEMIZKPMQZDQMA-UHFFFAOYSA-N 274.430 1.532 0 50 CDAA COc1ccc(F)c(CN2CCn3nc(CO)cc3C2)c1 219042183 VQUOWHVVMDNCJC-UHFFFAOYSA-N 291.326 1.539 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@@]2(CCC(=O)C2)C1 306766501 OEEGZBSURHJWLA-CYBMUJFWSA-N 255.314 1.746 0 50 CDAA O=C(c1ccccc1)N1CCCN(Cc2ncc[nH]2)CC1 111198749 WAZFGGXNLOMIAE-UHFFFAOYSA-N 284.363 1.758 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)C2CCN(C(C)C)CC2)[nH]n1 65494014 RPLQXNBWFAMGCA-GFCCVEGCSA-N 292.427 1.886 0 50 CDAA CCC[C@@H]1C(=O)NCCN1C(=O)N(CC)C(C)C 119188096 XQTKKNNPELQNJG-LLVKDONJSA-N 255.362 1.437 0 50 CDAA C[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1nc2ccccc2[nH]1 68122383 RTXGCJQGUPHNGL-SNVBAGLBSA-N 296.330 1.753 0 50 CDAA CO[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1CO)C(C)C 252517679 OLVYCLKEVXJDQB-YNEHKIRRSA-N 272.389 1.508 0 50 CDAA COc1ccnc(N[C@H]2CCO[C@@H]2c2cnn(C)c2C)n1 328609269 CQNXMMCXVJSUAB-WCQYABFASA-N 289.339 1.469 0 50 CDAA O=C(CO)c1ccc(I)cc1 39320114 LRMMTBOVAYKZAH-UHFFFAOYSA-N 262.046 1.466 0 50 CDAA CC1(C)CN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C[C@]2(CCOC2)O1 362127378 ZATQMTPSZLXLPE-WSMBLCCSSA-N 291.391 1.995 0 50 CDAA CC[C@H](C)OCC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 125960756 AWTKJGUZBBLYNB-WFASDCNBSA-N 295.383 1.309 0 50 CDAA C[C@H](Oc1ccc(CN2CC(O)C2)cc1Cl)C(=O)O 216306612 TWRRIFNLCRDALY-QMMMGPOBSA-N 285.727 1.368 0 50 CDAA CC1(C)C[C@@](C)([C@H]2C(=O)CC(C)(C)C2=O)OC1=O 71771590 DSZHHEDTXMYGMM-XPTSAGLGSA-N 252.310 1.903 0 50 CDAA COc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1O 158818797 WKGGXXQZONIDEX-IEBDPFPHSA-N 263.293 1.451 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)n1cnc2cnccc2c1=O 32586993 ZCFXBFHUDMUNEX-NSHDSACASA-N 283.335 1.751 0 50 CDAA Cc1cnn(C)c1CN1CCNC(=O)[C@H]1c1ccccc1 377696280 GUSRHGHQFIWCQB-OAHLLOKOSA-N 284.363 1.402 0 50 CDAA Cc1cc(NC(=O)CN2CCC[C@@H]2c2ncc[nH]2)n(C)n1 375006526 VDVCMIIFDXCZDQ-LLVKDONJSA-N 288.355 1.227 0 50 CDAA O=C(NC1C[C@@H]2C[C@H]2C1)N1CC[C@@H](n2cccn2)C1 333315530 AALMXQRLJGCIGU-GMXVVIOVSA-N 260.341 1.638 0 50 CDAA COc1ccc(-c2nc(-c3ccccn3)no2)nn1 128190076 ZAIRPGMLUNZHNY-UHFFFAOYSA-N 255.237 1.597 0 50 CDAA CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2CN)cc1 237174121 AZYRNMMFIWPNID-MRZGDXHCSA-N 287.363 1.009 0 50 CDAA CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CCCN(C)C2)C1 334292911 OWNYRONVDUCCKO-RDJZCZTQSA-N 293.455 1.805 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c[nH]c(C)n1 286785785 JMWNDDJHNCXYLE-MRVWCRGKSA-N 293.367 1.374 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(F)c(F)c2)C1 284600537 PTXGDGAIOSLTEO-CABZTGNLSA-N 270.279 1.039 0 50 CDAA COc1cccnc1NC(=O)c1cc(C2CC2)[nH]n1 523376427 UXDCMEQKAHWZRY-UHFFFAOYSA-N 258.281 1.943 0 50 CDAA O=C(O)CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 238164248 IWZSRDSXXQSBOR-LBPRGKRZSA-N 295.314 1.496 0 50 CDAA O=C(NCCc1ccccn1)[C@@H]1CCCc2[nH]ncc21 131665400 DCYJBLJDWXYNKV-GFCCVEGCSA-N 270.336 1.584 0 50 CDAA CCOC(=O)Cc1nc(CNc2cccc(OC)c2)n[nH]1 40175864 NYYFSVWVBVUYGU-UHFFFAOYSA-N 290.323 1.531 0 50 CDAA CC[C@H](NC(=O)Cn1nc2ccccc2n1)C1CC(O)C1 220017640 PXIAOFNZHOUXLA-MCIGGMRASA-N 288.351 1.097 0 50 CDAA Cc1cnc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)o1 291732140 JRBSMXDOKMGABG-NSHDSACASA-N 276.292 1.022 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2cccnc2N2CCCC2)C1 178262961 AKTGNXMFUHVEIE-NSHDSACASA-N 289.335 1.229 0 50 CDAA Cc1ccc(=O)n([C@@H](C)C(=O)Nc2ccc(F)cc2)n1 44394798 JBCNKKQAOLHVGW-JTQLQIEISA-N 275.283 1.891 0 50 CDAA CCOC(=O)c1cncc(I)c1 222896278 MVSGCUYAMOYECF-UHFFFAOYSA-N 277.061 1.863 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2C)C1 179010140 RDOSLYGEZAXDMR-GFCCVEGCSA-N 292.379 1.694 0 50 CDAA Cc1c(C(=O)N[C@H](CC(C)C)c2ncnn2C)ccn1C 426640318 AALAGIHVJLOWFI-CYBMUJFWSA-N 289.383 1.979 0 50 CDAA CCCn1cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)c(C)n1 91587081 DCLWRJDJTVXVIL-KBPBESRZSA-N 295.383 1.212 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)N(C)[C@H]2CCN(C)C2)c1 97797648 PXMAHLNFEVSRGL-LBPRGKRZSA-N 292.335 1.170 0 50 CDAA CCN(C[C@H]1CCCO1)C(=O)CCCc1cn[nH]c1 97436885 WGJGQQNHBMNNKR-CYBMUJFWSA-N 265.357 1.760 0 50 CDAA CCOC[C@H](O)CNC(=O)c1ccc2oc(C)cc2c1 97522283 UANIRRFXXLSOGT-CYBMUJFWSA-N 277.320 1.868 0 50 CDAA Cc1ncnc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1C 91548278 WZCMDOMKFUNIHZ-KBPBESRZSA-N 276.384 1.129 0 50 CDAA COc1ccccc1OC1CN(c2cc(C(N)=O)ccn2)C1 96148558 GUDXLEPEFBOOND-UHFFFAOYSA-N 299.330 1.457 0 50 CDAA CCOC(=O)CCCn1cnc(Br)n1 238856364 VUHHFUGNKDFEFR-UHFFFAOYSA-N 262.107 1.384 0 50 CDAA COCCn1cnnc1CN(C)c1cc(C2CC2)ncn1 91255100 OGOQUMKNXNBGBF-UHFFFAOYSA-N 288.355 1.228 0 50 CDAA CCC[C@H]1CN(c2nc3c(cc2C(=O)O)CCC3)C[C@@H]1N 95380920 OAZXXDZTQCFOJY-AAEUAGOBSA-N 289.379 1.832 0 50 CDAA O=S1(=O)C=C[C@H](Nc2ncnc3cccc(F)c23)C1 91604164 ARSGXVJVRPTGLY-QMMMGPOBSA-N 279.296 1.492 0 50 CDAA O=C(CO)N1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91973941 ZLLRLBBRABPAEJ-MRXNPFEDSA-N 294.395 1.153 0 50 CDAA CCc1noc(CNC(=O)[C@H]2COc3ccccc3C2)n1 95507280 GCVXKLKANRMECN-LLVKDONJSA-N 287.319 1.500 0 50 CDAA Cn1cncc1CN1CCC[C@@H](CCC(=O)O)C1 90169583 KRSYVEGRHGAZAA-NSHDSACASA-N 251.330 1.497 0 50 CDAA CCc1c(C)nc(N)nc1N1CCC[C@@H](COC)C1 91461896 FERBOFAWMNMPMT-LLVKDONJSA-N 264.373 1.792 0 50 CDAA C[C@]1(C(=O)O)CCCCN1C(=O)CCCn1ccnc1 244708063 KMXRTNRMOLKOPQ-CQSZACIVSA-N 279.340 1.519 0 50 CDAA CCNS(=O)(=O)[C@H]1CCN(Cc2cccc(C)c2C)C1 181558578 IVBHUTRSSQDJOB-HNNXBMFYSA-N 296.436 1.817 0 50 CDAA O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O 247446430 YOQALDVKHNGWCA-PRSHDEELSA-N 299.326 1.496 0 50 CDAA Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2cccnc2)n1O 524734556 QHVOTVDLACRZSE-GFCCVEGCSA-O 276.316 1.168 0 50 CDAA CN(C)[C@@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 252485237 GPIHHNCRPFJACM-MRXNPFEDSA-N 272.392 1.954 0 50 CDAA O=c1c(Br)cccn1-c1cccnc1 255188382 JQKBTHAONOKVLT-UHFFFAOYSA-N 251.083 1.995 0 50 CDAA CCCn1ccnc1CNC(=O)c1cc(C(F)F)[nH]n1 534637103 QCQQYWUCJCWYHR-UHFFFAOYSA-N 283.282 1.884 0 50 CDAA COCCc1noc(CN(C)C(=O)c2ccsc2)n1 264664308 VPGIERBTMBFBKS-UHFFFAOYSA-N 281.337 1.592 0 50 CDAA Cc1ccc(NC(=O)COc2c(C)n(C)ccc2=O)nc1 263588638 WLVUDASWYPEYCO-UHFFFAOYSA-N 287.319 1.415 0 50 CDAA CSCC(=O)N1CCCC2(CCNCC2)CC1 534574546 QLFJINXKVQKHHL-UHFFFAOYSA-N 256.415 1.732 0 50 CDAA Cc1nc(N2CCCC2)nc(NCCn2cncn2)c1C 534663973 NFEZEYDZHGENSS-UHFFFAOYSA-N 287.371 1.397 0 50 CDAA O=C(O)c1csc(CCN[C@@H]2CCCSC2)n1 534630531 IJSGUMWGFZKCAK-MRVPVSSYSA-N 272.395 1.869 0 50 CDAA c1nc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cs1 299790955 CFZJNWXZLXDTOG-RYUDHWBXSA-N 277.353 1.080 0 50 CDAA CC(C)N(C)C[C@@H](C)C(=O)NCc1csc(N)n1 820636550 BAYQKZGPQQAZAS-SECBINFHSA-N 270.402 1.318 0 50 CDAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)Cc1ncc[nH]1 585135136 ZGPWJKSMKCMMQF-AWEZNQCLSA-N 285.303 1.163 0 50 CDAA Cc1cnc(NCC2(CO)CCCC2)nc1N(C)C 584884656 QDDTXTLZBNEVQW-UHFFFAOYSA-N 264.373 1.816 0 50 CDAA COc1cccc(-c2ncc(CNS(C)(=O)=O)s2)c1 824789995 XXOYGQWZGZDNMI-UHFFFAOYSA-N 298.389 1.868 0 50 CDAA CCSC[C@H](C)NCCc1nc(N)cc(O)n1 584891599 ZUSUJHRTYDKVEF-QMMMGPOBSA-N 256.375 1.038 0 50 CDAA CN(C[C@H]1CCCO1)C(=O)CCN1CCCCCC1=O 584890339 MUYWPMKDIMTLNX-CYBMUJFWSA-N 282.384 1.417 0 50 CDAA C[C@@H](CN1CCOCC1)NCc1nc2ccccc2o1 584889687 YBFNMHFIBDDCBK-LBPRGKRZSA-N 275.352 1.638 0 50 CDAA Cc1nc(O)c2c(n1)CN(Cc1scnc1C)C2 584893412 VGQKWFPQMDGQHV-UHFFFAOYSA-N 262.338 1.771 0 50 CDAA COC[C@H](C)CNc1cccc(S(=O)(=O)N(C)C)c1 131787378 RUGGNZJNPHUCPD-LLVKDONJSA-N 286.397 1.631 0 50 CDAA Cn1nccc1-c1ccnc(N2C[C@@H]3CCC[C@]3(CO)C2)n1 865972459 LJVKGWWHRVOEIZ-BLLLJJGKSA-N 299.378 1.476 0 50 CDAA C[C@@H]1C[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)NC[C@H]1N 757210039 HQFSEQAUFRVGQX-ISUQUUIWSA-N 265.323 1.242 0 50 CDAA CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)O 268932063 ZALJRJVHBYUIAT-MNOVXSKESA-N 263.293 1.422 0 50 CDAA O=S(=O)(c1ccc(Cl)nc1F)N1CCCSC1 952963701 JJYLJCYRKRSXBI-UHFFFAOYSA-N 296.776 1.959 0 50 CDAA O=C(N[C@@H]1C=CC[C@@H](C(=O)O)C1)c1cnc(C2CC2)o1 1875272677 JLILUMRPSFJEPA-NXEZZACHSA-N 276.292 1.701 0 50 CDAA O=C(Cn1ccc2cc(F)ccc21)N1CC(F)C1 1875293167 FSUCWKZCSFAJSY-UHFFFAOYSA-N 250.248 1.961 0 50 CDAA C[C@H]1CCCC[C@H]1N(C)C(=O)/C=C/CN1CCOCC1 1875334908 JXCHXBUYSFVLNY-YKHJJTLOSA-N 280.412 1.912 0 50 CDAA CCc1ccccc1C(=O)NCCc1cc(C(=O)O)n[nH]1 1875306715 CSIXNQFJFCDMES-UHFFFAOYSA-N 287.319 1.643 0 50 CDAA CCOc1ccc(CNCc2csc(N)n2)cn1 952977011 OLJDTDZHSUNTTP-UHFFFAOYSA-N 264.354 1.809 0 50 CDAA O=C(N[C@@H]1CC12CC(O)C2)c1ccc(-c2cn[nH]c2)cn1 888947498 XKJPUUBEHWJUEN-GLWUULTISA-N 284.319 1.115 0 50 CDAA O=C(Cc1n[nH]c2c1CCCC2)Nc1cnc2[nH]ncc2c1 1349507612 FGMFGDCNSLRYGT-UHFFFAOYSA-N 296.334 1.741 0 50 CDAA CCCc1cc(N(C)Cc2ncccn2)n2ncnc2n1 895061750 HNHNVOTUJFNEKT-UHFFFAOYSA-N 283.339 1.503 0 50 CDAA Cc1ccn2cnc(C(=O)NC3CC4(C3)C[C@H]4N)c2c1 1775961172 FBWVOIRRZRMTJO-WBFHCKIUSA-N 270.336 1.252 0 50 CDAA Cc1nc(C2(NC(=O)Cc3ncc[nH]3)CCCCC2)no1 1362080482 SPADEGPBBKUYFL-UHFFFAOYSA-N 289.339 1.619 0 50 CDAA CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)[nH]n1 1362824378 HOKWRWDSRPRYNU-ZDUSSCGKSA-N 271.320 1.648 0 50 CDAA N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F 79035475 SYVUWEZGXXHYPH-RYUDHWBXSA-N 252.289 1.694 0 50 CDAA in-vitro COCc1cn(CC2(S(C)(=O)=O)CCCCC2)nn1 899730549 LEKRQQRFPPHUBW-UHFFFAOYSA-N 287.385 1.172 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCc1cocn1 408514272 UQJCZYNCTHKJSZ-SNVBAGLBSA-N 281.312 1.300 0 50 CDAA CN(CCCOc1ccccc1)C[C@H]1COC(=O)N1 408524206 REEIPXPCTQJGQI-LBPRGKRZSA-N 264.325 1.496 0 50 CDAA COc1ccc(C2=C3[C@@H](C=CS3(=O)=O)ON2)cc1 669372203 LRRDMFYUKGDVLQ-SNVBAGLBSA-N 265.290 1.209 0 50 CDAA COc1ccc(C(=O)N2CCNC[C@@H]2C(F)F)c(O)c1 578988529 ZWAUPPRNIZDDGN-SNVBAGLBSA-N 286.278 1.080 0 50 CDAA Cc1nc(CNC(=O)/C=C/CN(C)C)ccc1[C@@H](C)O 272991521 NAJZZTPYCACXCG-BTDICHCPSA-N 277.368 1.177 0 50 CDAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ncoc2C)cn1 275360061 NUESYMKCJRBSGM-WCQYABFASA-N 290.323 1.459 0 50 CDAA Cn1nnc2cc(C(=O)N[C@H]3CCC[C@@H]3CCO)ccc21 170085805 XFHMRSDDPSPUHQ-PWSUYJOCSA-N 288.351 1.249 0 50 CDAA CC(C)N1CC(=O)N(Cc2ccc(N(C)C)nc2)C1=O 170613757 YQISYUFESQEHSN-UHFFFAOYSA-N 276.340 1.320 0 50 CDAA CCO[C@H]1C[C@](CO)(NCc2noc(C)n2)C1(C)C 190012703 TVIOOJCNADAHNS-GXFFZTMASA-N 269.345 1.034 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1cc(F)ccc1F 643763072 RPVNZYPHFYANTB-CQSZACIVSA-N 284.306 1.431 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccccc1OC 643846839 AGWLJJLYLMIPFE-OAHLLOKOSA-N 293.319 1.401 0 50 CDAA CCc1noc(C)c1CN1CCC[C@@]1(COC)C(N)=O 643823944 FMFRIQZMIMASTG-CQSZACIVSA-N 281.356 1.012 0 50 CDAA O=C(N[C@H](CCO)c1ccco1)c1cnn2c1OCCC2 560379576 JGGNXZNYLOEZAD-LLVKDONJSA-N 291.307 1.112 0 50 CDAA COc1nc(C)nc(N[C@H]2CC[C@H](O)CC2)c1C 570559551 WIWOOEWLWCBQSH-XYPYZODXSA-N 251.330 1.817 0 50 CDAA O=C(NOCc1cccnc1)[C@H]1Cc2ccccc21 747169903 KRFVOKJARUBKOW-AWEZNQCLSA-N 254.289 1.969 0 50 CDAA CC1(CNC(=O)c2cnnn2C2CCNCC2)CCCC1 662453161 ZEDRYVXJISYQMC-UHFFFAOYSA-N 291.399 1.513 0 50 CDAA COc1ncc(CN(C)[C@@H](C)C(=O)O)cc1Cl 577521329 BBPOBETWLSMTKA-ZETCQYMHSA-N 258.705 1.649 0 50 CDAA CCCc1nc(CN(C)C[C@H]2CCC(=O)N(C)C2)no1 1857685861 YBAUFRKKIQUKEK-LLVKDONJSA-N 280.372 1.322 0 50 CDAA CCOCCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529180441 ITDBULRCDBMJAS-KGLIPLIRSA-N 278.352 1.182 0 50 CDAA CCN(C[C@@H]1CCCCO1)c1cncc(C(=O)O)n1 1529144365 ZLCNQXWPQMHFGP-JTQLQIEISA-N 265.313 1.570 0 50 CDAA CSCC(=O)N1C[C@H](c2ccccc2C)[C@@H](C(=O)O)C1 213176210 RKQQPNARSRQMOD-OLZOCXBDSA-N 293.388 1.985 0 50 CDAA CNc1nc(C)cc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 1704302080 AXTNVYIRLZCWJF-ZIAGYGMSSA-N 299.378 1.891 0 50 CDAA Cc1c(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)ccn1C 1704353297 MHZSYQGGODTTPI-ZBFHGGJFSA-N 299.374 1.716 0 50 CDAA CCOC(=O)N1CCC(NCc2ccncc2)CC1 19965216 LVWOQSPFIAQDAY-UHFFFAOYSA-N 263.341 1.792 0 50 CDAA OC[C@H]1CN(c2ccc3cccc(Cl)c3n2)C[C@@H]1CO 1615698104 CXVMCQCJHLFEJE-VXGBXAGGSA-N 292.766 1.925 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 5013977 OQBZJBCMJFAWCV-UHFFFAOYSA-N 254.185 1.678 0 50 CDAA COCCNC(=O)c1cc(COc2ccccc2)[nH]n1 11936080 JJYBLXSAXDQXBZ-UHFFFAOYSA-N 275.308 1.365 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)cc1 12650617 VVOFSHARRCJLLA-CHWSQXEVSA-N 268.382 1.543 0 50 CDAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCCO 13730826 ILRNSINOUBSKTF-ZDUSSCGKSA-N 281.352 1.335 0 50 CDAA COCCCNS(=O)(=O)c1cc(C)c(C)cc1OC 16648674 VFCUDGTWEMIMSO-UHFFFAOYSA-N 287.381 1.627 0 50 CDAA CN1CCN(C(=O)c2cc[n+]([O-])cc2)[C@@H](c2ccccc2)C1 19229124 GKMYTVNYGZENIP-MRXNPFEDSA-N 297.358 1.449 0 50 CDAA O=C(NCCNC(=O)[C@H]1CC=CCC1)c1cccnc1 19595655 WVXFOYIYWVSTEX-LBPRGKRZSA-N 273.336 1.284 0 50 CDAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1csc2c1CCCC2 19788061 AITLHUYWIAMGCZ-SECBINFHSA-N 297.401 1.667 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1C1CCN(c2ccccc2)CC1 1857682851 PCYMPRKZKXXHIL-HZPDHXFCSA-N 285.391 1.618 0 50 CDAA Cc1nc(-c2nccn2Cc2nnc3n2CCC3)cn1C 1857729454 BPMPCPWDVDRIKS-UHFFFAOYSA-N 283.339 1.178 0 50 CDAA CCOC(=O)[C@H]1CN(Cc2ccccc2)CC(F)(F)[C@H]1O 252497490 QJGXNZREOAULEI-STQMWFEESA-N 299.317 1.678 0 50 CDAA O=C(Cc1cccc2c1CCNC2)N[C@@H]1CCCC[C@H]1O 638277347 ABXJFRMURAIPCC-HZPDHXFCSA-N 288.391 1.295 0 50 CDAA O=C(N[C@H]1CC[C@@H](CO)C1)c1ccnc(C2CC2)c1 452498523 FPCACHNBCDYIAK-MFKMUULPSA-N 260.337 1.850 0 50 CDAA CN[C@H]1CCCN(C(=O)c2n[nH]c3ccc(C)cc23)C1 133971072 FKLLKKCFKKYQFU-NSHDSACASA-N 272.352 1.695 0 50 CDAA OC[C@H]1CCN(Cc2ccc(-n3ccnc3)cc2)C[C@@H]1O 562925468 GSMUEIKYCFQKRF-ZBFHGGJFSA-N 287.363 1.047 0 50 CDAA CCOCCN1CCN(Cc2noc(C3CC3)n2)C[C@H]1C 252321743 YZTULRIRVHYEKY-GFCCVEGCSA-N 294.399 1.490 0 50 CDAA COc1cc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)ccc1F 252487621 ZQERNEROSJUXQL-JOXOIDLHSA-N 293.338 1.971 0 50 CDAA CCn1cnnc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 367645703 RELAECWXQPTXKK-JTQLQIEISA-N 285.307 1.363 0 50 CDAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCOC(C)=O)C1 585141409 VLVVWKCIDAIAKJ-GXTWGEPZSA-N 284.400 1.566 0 50 CDAA CNc1nc(N2CCC[C@H](C(=O)O)C2)nc2ccccc12 263409025 LQTNKYCDLQWHBT-JTQLQIEISA-N 286.335 1.973 0 50 CDAA CN(CC[C@@H](O)c1ccccc1)c1cncc(N)n1 1857671027 LQKNHVAOPIVYBR-GFCCVEGCSA-N 258.325 1.619 0 50 CDAA c1cnc(Cc2noc([C@@]34CCCC[C@@H]3NCC4)n2)cn1 904700755 PSCYHLQYESLCTB-SWLSCSKDSA-N 285.351 1.624 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(Cc1cccc(O)c1)C2 1704331351 MXNAAIPGLOADHG-KGLIPLIRSA-N 262.353 1.155 0 50 CDAA Cn1cc(Br)c(CNc2cnccc2CO)n1 1875284907 UMXCRWLFKLJYQM-UHFFFAOYSA-N 297.156 1.682 0 50 CDAA CC[C@@H]1CN(C(=O)c2ccc(CN)cc2)C[C@@H](C)O1 236956321 OMKDZLFTQXKRKM-BXUZGUMPSA-N 262.353 1.785 0 50 CDAA Cc1ccc(OCCCC(=O)NCCN(C)C)cc1 13671025 TYKWSADWEHAVSQ-UHFFFAOYSA-N 264.369 1.832 0 50 CDAA C[C@H]1CC[C@@H](C(=O)NCCc2cccc(C(=O)O)c2)O1 155491360 JYPRNMDHJKOIKZ-GWCFXTLKSA-N 277.320 1.611 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)NC[C@@H]1CCCN1 178714438 AAMDSAXHNZVJJW-LBPRGKRZSA-N 282.771 1.895 0 50 CDAA NCc1ccc(COc2cc(Cl)nc(N)n2)cc1 149609984 WFXBBTCFFCOXFA-UHFFFAOYSA-N 264.716 1.750 0 50 CDAA Cc1nnc(CN2CCCC[C@H]2CCCO)s1 299783200 YZQWHMKJOMIIRN-NSHDSACASA-N 255.387 1.974 0 50 CDAA O=C(NC[C@H](CC1CC1)C(=O)O)C1CC2(CC2)C1 659163496 HPRBYHNUKRYHLK-JTQLQIEISA-N 251.326 1.794 0 50 CDAA O=C(O)[C@@H]1CCCN1Cc1nc(C(F)(F)F)no1 534670868 VGRPIBOXJCMDAM-YFKPBYRVSA-N 265.191 1.137 0 50 CDAA Cc1ccc(CCC(=O)N2CC(=O)N[C@@H](C)C2)cc1Cl 387123248 KTJFILAYOPZKTI-NSHDSACASA-N 294.782 1.928 0 50 CDAA Cc1cc(C)c(C(=O)NCc2csc(N)n2)c(O)n1 827597808 PKNOKAJPQTYLQW-UHFFFAOYSA-N 278.337 1.373 0 50 CDAA COc1cc(CC(=O)N2CCN[C@@H]3C[C@@H]32)ccc1C 952992429 DNNKSPCAUSNDBR-OLZOCXBDSA-N 260.337 1.119 0 50 CDAA O=C(O)c1cccc(CN2CCO[C@@H]([C@@H]3CCOC3)C2)c1 2325777532 JHAPYSNDACMDPQ-HUUCEWRRSA-N 291.347 1.622 0 50 CDAA Cn1cc(CN2CC[C@H](C(=O)O)c3ccccc32)nn1 236106911 PMSCWLQRBHUMMZ-LBPRGKRZSA-N 272.308 1.394 0 50 CDAA Cc1cc(C)nc(SC[C@@H](O)COC(C)C)n1 209811 SJLRAZGZZOIXDN-NSHDSACASA-N 256.371 1.971 0 50 CDAA Cc1ccnn1[C@H]1CC(=O)N(c2ccccc2)C1=O 289733 PJHDUYJTFXTIAZ-LBPRGKRZSA-N 255.277 1.696 0 50 CDAA O=C1CCCN1CCSC(=S)N1CCCC1 293090 CBCYRWOIMMXLAQ-UHFFFAOYSA-N 258.412 1.723 0 50 CDAA Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 469020 UEBBFJJGHDMIQS-UHFFFAOYSA-N 292.389 1.802 0 50 CDAA Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)nc1 616648 RIEBAAWNSHDKSF-UHFFFAOYSA-N 295.298 1.625 0 50 CDAA CCn1cnnc1CN1C[C@@H]2[C@@H](CCC[C@@]2(O)CC)C1 2356135600 LTNPIAFIVUIONL-GUTXKFCHSA-N 278.400 1.671 0 50 CDAA O=C(O)[C@]1(CC2CC2)CN(Cc2cscn2)CC[C@@H]1O 2356148578 GUAKYGNLIDVPEE-GXTWGEPZSA-N 296.392 1.581 0 50 CDAA COCCOCCn1c(CCCO)nc2ccccc21 2842242 VEEJTRASKPPUOI-UHFFFAOYSA-N 278.352 1.624 0 50 CDAA COCCSc1nnc(NC(=O)[C@H]2CCCO2)s1 2865510 XAWURANQFZBFKC-SSDOTTSWSA-N 289.382 1.394 0 50 CDAA CCCCOC[C@@H](O)CS(=O)(=O)CCCC 2870895 GESKOXHOYHJRBC-LLVKDONJSA-N 252.376 1.379 0 50 CDAA CSCC[C@@H](NC(=O)c1ccccc1)C(N)=O 3200636 NBLKELFQDXBKFY-SNVBAGLBSA-N 252.339 1.023 0 50 CDAA O=C(NCCCn1ccnn1)c1ccc2ccccn12 2356162568 FLPWTPGEXNULMG-UHFFFAOYSA-N 269.308 1.351 0 50 CDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3ccc(=N)[nH]c3)C[C@H]21 2356162579 FTRJVZPZALHEKJ-ZENOOKHLSA-N 289.379 1.507 0 50 CDAA CC(Nc1ccccc1N)=C1C(=O)N(C)C(=O)N(C)C1=O 3878349 LKBRDAYHLWFEOG-UHFFFAOYSA-N 288.307 1.005 0 50 CDAA COc1cc(CNC(C)C)ccc1OCC(N)=O 10435769 BAAQDDYEFKNLCM-UHFFFAOYSA-N 252.314 1.057 0 50 CDAA COC(=O)C[C@@H](C)OC(=O)c1cc2nccnc2cc1F 225473044 HVBQJYGJNFRTRH-MRVPVSSYSA-N 292.266 1.877 0 50 CDAA O=C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 20223858 YLJRGVXGNOSVTP-UHFFFAOYSA-N 293.388 1.919 0 50 CDAA NCCc1nc(NCCN2CCCC2=O)c2ccccc2n1 65535836 WWZSMNKXEJRFEU-UHFFFAOYSA-N 299.378 1.165 0 50 CDAA NC(=O)[C@@H](N[C@H]1CCSC1)c1ccc(F)cc1 134879518 HJEZXGPFWAXEPI-QWRGUYRKSA-N 254.330 1.447 0 50 CDAA Cc1nnc(N2CCN(C)[C@@H](c3ccccc3)C2)o1 107700771 IRZAQKBDPPISBW-CYBMUJFWSA-N 258.325 1.871 0 50 CDAA CC[C@H]1CN(c2nc(C)cc(C(=O)OC)n2)CC[C@@]1(C)O 67773082 ZQFPMLZMVSETNK-XHDPSFHLSA-N 293.367 1.559 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccoc2)[C@H]2C=C[C@H]1C2 100641394 SGWSACQEQBEJCG-BJDJZHNGSA-N 261.277 1.419 0 50 CDAA CCc1nc(C)c(C(=O)N[C@H]2CN3CCC2CC3)o1 65395010 IJPXASXUYYRBKI-NSHDSACASA-N 263.341 1.369 0 50 CDAA O=C1CC(c2ccccc2Br)CC(=O)N1 62950883 JELSMZSISXNIMR-UHFFFAOYSA-N 268.110 1.969 0 50 CDAA COCCOC(=O)N1CCC2(CCN(C)C2)CC1 67692747 ZWWWLTAPASLHCL-UHFFFAOYSA-N 256.346 1.187 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)Cc1cc(C)no1 67955894 KGFIBFXAQZDOBS-NSHDSACASA-N 262.313 1.317 0 50 CDAA Cn1ncnc1NC(=O)c1ccn(-c2cccc(F)c2)n1 151028679 QGXROFFZLCVWKS-UHFFFAOYSA-N 286.270 1.392 0 50 CDAA Cc1cc2ncc(S(=O)(=O)C(C)(C)C)c(N)n2n1 96225 ODVSVKPPVBSCJX-UHFFFAOYSA-N 268.342 1.192 0 50 CDAA Cc1ccc(CNC(=O)[C@@](C)(O)C2CCOCC2)s1 431838612 UOMDOSFIPQBNQJ-AWEZNQCLSA-N 283.393 1.850 0 50 CDAA Cc1cnn([C@@H]2CCN(c3nc(O)c4c[nH]nc4n3)C2)c1 329596609 IRDOBDAREUZFOY-SECBINFHSA-N 285.311 1.015 0 50 CDAA CO[C@@H]1CCC[C@@H](CC(=O)Nc2c[nH]c(C(N)=O)c2)C1 331051187 IIEIDLOVIRYINS-MWLCHTKSSA-N 279.340 1.647 0 50 CDAA CC(C)[C@@H](NC(=O)Cn1ccc2ccccc21)C(=O)O 71375991 HJZVYBCKGQLUIT-CQSZACIVSA-N 274.320 1.867 0 50 CDAA CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCNC1 237162264 YXOOHVNVFQSKOM-AWEZNQCLSA-N 287.407 1.855 0 50 CDAA CN(C(=O)C1C[C@@H]2CCC[C@H](C1)C2N)[C@@H](CN)C1CC1 333525443 HEKSVSYBXVHUGP-HKGGGCDWSA-N 279.428 1.336 0 50 CDAA Cc1nnc(-c2ccc(C(=O)N3CC[C@@H](N)C[C@@H]3C)cc2)[nH]1 237624002 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296.286 1.586 0 50 CDAA O=C1NCC[C@H]2CCCN(c3cncc(Cl)n3)[C@H]12 883022055 MNHHYAMTELVLLV-KCJUWKMLSA-N 266.732 1.235 0 50 CDAA O=S(=O)(Cc1ccc(F)cc1)NC[C@@H]1CCCO1 16578446 FCJUSKNXBYIYBS-LBPRGKRZSA-N 273.329 1.424 0 50 CDAA CC(C)CN(C)c1nnc(-c2cnc3[nH]ncc3c2)n1C 1339003912 VQRRHDOESWKTSE-UHFFFAOYSA-N 285.355 1.846 0 50 CDAA CCC[C@]1(CO)CCN(CCc2ccc(O)cc2)C[C@H]1O 1529152204 PXUKBOFFXWOSOM-IAGOWNOFSA-N 293.407 1.780 0 50 CDAA Cc1cc(CNC(=O)c2c(C)nn(C)c2C)oc1C(=O)O 630333331 RHEKSECZJHAQBK-UHFFFAOYSA-N 291.307 1.567 0 50 CDAA CC(=O)N(C[C@@H]1CCCN1Cc1ccnn1C)C1CC1 275477214 ATSVOLDVCCYFLW-HNNXBMFYSA-N 276.384 1.395 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cn2ccccc2n1 275678768 WCBCVCKPZPEBEU-ZFWWWQNUSA-N 297.362 1.688 0 50 CDAA Cc1ccc(=O)n(C[C@@H]2CN(c3ccccc3)C(=O)O2)n1 170596973 LUBRQJOVYCQQCH-ZDUSSCGKSA-N 285.303 1.577 0 50 CDAA NC(=O)C[C@H]1CCCCN1C[C@H](O)CC1CCCC1 170608547 JETPGZPPIZDIOF-ZIAGYGMSSA-N 268.401 1.658 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CCCN(C)C(=O)C1 170604622 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CDAA C[C@@H](C1CCN(C(=O)c2cnco2)CC1)N(C)C 220608973 JNRJUIZPEXZFNK-JTQLQIEISA-N 251.330 1.477 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CC[C@H](CN)C2)cn1 178517829 DSDOBFQKRUKZAX-SNVBAGLBSA-N 250.346 1.059 0 50 CDAA C[C@@H](CC(=O)N1CCC(C(=O)O)CC1)N1CCCCCC1 426361279 LUCYRMXYIGAXJT-ZDUSSCGKSA-N 296.411 1.964 0 50 CDAA Cc1c(CNC(=O)N(C)CCC[C@H]2CCCO2)cnn1C 426740308 AUVFZTZUYYWLJX-AWEZNQCLSA-N 294.399 1.829 0 50 CDAA CCOC(=O)c1ncc(C(C)=O)cc1C(=O)OC 221516133 PAAYIRJSPGAIKC-UHFFFAOYSA-N 251.238 1.248 0 50 CDAA Cn1cc(C(=O)NC[C@H]2COc3ccccc3C2)ccc1=O 95509952 RLZCTNLRBXUABK-LBPRGKRZSA-N 298.342 1.366 0 50 CDAA C[C@@]1(C(=O)NCCCNc2cccnc2)CCCO1 426545491 VPLYEPPEZXPCOB-AWEZNQCLSA-N 263.341 1.569 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc(O)cc1 239212605 TUFXXXBQHJYADM-CTTWBBHYSA-N 281.311 1.950 0 50 CDAA NC(=O)CN1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91951643 XVYSCYNAWPXXRN-INIZCTEOSA-N 293.411 1.119 0 50 CDAA COCCCN1CCC[C@H](c2ccnn2CC(=O)O)C1 426387234 HXNFUGNKBSIRIG-LBPRGKRZSA-N 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CC(=O)N1CCN(C(=O)[C@H]2CCCO[C@@H]2C)C(C)(C)C1 189995013 JWQJIOZHEBVJNB-YPMHNXCESA-N 282.384 1.271 0 50 CDAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cncs2)C1 190151178 VPGAUUIFGARTMD-MWLCHTKSSA-N 280.353 1.797 0 50 CDAA CC(C)n1cnnc1CNC(=O)[C@]1(C(=O)O)CC=CCC1 653306307 JSVKZNUZUZRSBJ-AWEZNQCLSA-N 292.339 1.286 0 50 CDAA C/C(=C\C(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1F 584908054 FKVGCFSJSMNEAE-AORWBKJGSA-N 293.294 1.541 0 50 CDAA CCc1ccc2occ(C(=O)NCCn3cnnn3)c2c1 585086077 NCLVVXYLGXTSGD-UHFFFAOYSA-N 285.307 1.412 0 50 CDAA CCc1nsc(N2CCC(n3c(C)n[nH]c3=N)CC2)n1 585092103 FNIJEUWUKDOJPQ-UHFFFAOYSA-N 293.400 1.254 0 50 CDAA COC(OC)[C@@H](C)NC(=O)Nc1ccc(F)cn1 585140266 BBHLLJPDZZBLQZ-SSDOTTSWSA-N 257.265 1.350 0 50 CDAA CCCCCOCC(=O)NCC(C)(C)n1cccn1 585128890 QCQCEXWHHXKHDO-UHFFFAOYSA-N 267.373 1.941 0 50 CDAA CN(C)c1ncnc2c1ncn2Cc1cc(C2CC2)no1 657245522 CQFFXNYNSVJYGY-UHFFFAOYSA-N 284.323 1.806 0 50 CDAA CC(C)N(C(=O)c1cnn(C)c1C(F)F)[C@H]1CCOC1 569643094 BPONWXXQCQMHOP-VIFPVBQESA-N 287.310 1.997 0 50 CDAA CCC1(C(=O)O)CCN(Cc2nnc(C)s2)CC1 698293971 YKSKRDYYZZQRET-UHFFFAOYSA-N 269.370 1.923 0 50 CDAA Cc1cc(C(=O)N2C[C@H](CO)OC[C@H]2C)ccc1Cl 135575761 AUWQMLWXDYWPIX-ZYHUDNBSSA-N 283.755 1.870 0 50 CDAA C[C@H](Cn1cncn1)NC1CSCCSC1 1506408448 SDNFMILYSGGJSS-SECBINFHSA-N 258.416 1.105 0 50 CDAA CCc1nn(C)c(NC(=O)CN2CCCCC2=O)c1C 1529144310 XGLHVAAMFPJDBU-UHFFFAOYSA-N 278.356 1.242 0 50 CDAA COc1ncccc1NS(=O)(=O)C[C@H]1CCCCO1 110097456 QXNCSBPYNQKGOM-SNVBAGLBSA-N 286.353 1.401 0 50 CDAA O=C(CCN1C(=O)CCC1=O)Nc1ccccc1Cl 7908726 ZXBMUFUPRTVZHK-UHFFFAOYSA-N 280.711 1.818 0 50 CDAA CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C 336431780 VFTPSDJNGCRRKV-SECBINFHSA-N 263.345 1.652 0 50 CDAA CCCC(O)(CCC)CC(=O)N1C[C@H](F)C[C@H]1C(N)=O 347237974 XIYILBFVKREOIE-MNOVXSKESA-N 288.363 1.132 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCC[C@H](N)C1 157909924 BSVGWSCDZFQNKY-JTQLQIEISA-N 265.357 1.292 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)N2CCC[C@@H]2CC(=O)O)O1 262864800 FLSZZMNFYHOROD-IJLUTSLNSA-N 269.341 1.800 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N[C@H]2CCSC2=O)c(C)c1 4010869 GAWCSTVJAVYBDI-NSHDSACASA-N 299.417 1.922 0 50 CDAA CCN1CCN(C(=O)c2c(C)noc2C)C[C@]12CCOC2 1615588940 HXGJQCLKPRULRU-HNNXBMFYSA-N 293.367 1.228 0 50 CDAA O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(F)c(O)c1 1615586146 JHGWKQJQXVAVCR-CMPLNLGQSA-N 267.300 1.812 0 50 CDAA CCN(c1ccccc1C)S(=O)(=O)c1cn(C)nn1 1615570873 AWLFCMCLNQEOGD-UHFFFAOYSA-N 280.353 1.339 0 50 CDAA Cc1noc(C(=O)N2CCc3occc3[C@H]2C(=O)O)c1C 1615606210 SGYQWWCVCCMOKV-NSHDSACASA-N 290.275 1.709 0 50 CDAA CC[C@@]12C[C@H]1CN(Cc1cc(=O)n3ccsc3n1)C2 1772807091 PQPDHSNVCWTCOJ-HZMBPMFUSA-N 275.377 1.988 0 50 CDAA c1cncc(OC2CCN(CC[C@H]3COCCO3)CC2)c1 1775982532 RGGSUXDNCWNSQO-INIZCTEOSA-N 292.379 1.730 0 50 CDAA Cc1nc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)ccc1Cl 1772711687 JFFPUIZWEWKRIL-YGRLFVJLSA-N 296.754 1.971 0 50 CDAA CN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O 4111686 WQFLJZXTZWJWKR-UHFFFAOYSA-N 296.326 1.902 0 50 CDAA CCN(C)c1nc2nonc2nc1NC1CCCC1 12297192 AEIPMSYYQLGMIE-UHFFFAOYSA-N 262.317 1.823 0 50 CDAA COC(=O)c1ccc(NC(=O)CCN2CCCC2)cc1 12417830 PDFFGRCNRNJNKY-UHFFFAOYSA-N 276.336 1.898 0 50 CDAA CCOC(=O)c1ccc(CSc2ncn[nH]2)o1 18081661 JOJQMDMDNISTII-UHFFFAOYSA-N 253.283 1.867 0 50 CDAA O=C(O)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 19850434 XQZPMWAWYUHYSA-AWEZNQCLSA-N 283.331 1.931 0 50 CDAA CC(C)CCNC(=O)C(=O)NCCCOC(C)C 2362317 DZGNACCQEHRYMQ-UHFFFAOYSA-N 258.362 1.080 0 50 CDAA CN(C)C(=O)Oc1cccc(NC(=O)N2CCOCC2)c1 4294213 WIIYSQXCISNTBJ-UHFFFAOYSA-N 293.323 1.611 0 50 CDAA O=C1C[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)C[C@H]2N1 1857668514 VQBQFYBDHGBDES-DZGCQCFKSA-N 282.347 1.193 0 50 CDAA c1ccc(C[C@@H]2Cc3nnc(CN4CCOCC4)n3C2)cc1 1857699757 XNDITGRBGUMHRL-OAHLLOKOSA-N 298.390 1.525 0 50 CDAA C[C@H]1CN(CCC2CCN(CC(=O)O)CC2)C[C@H](C)O1 237663821 MIVAKOLWTFMLIL-STQMWFEESA-N 284.400 1.282 0 50 CDAA Cc1nc([C@@H](C)N2Cc3ccccc3[C@H](C(=O)O)C2)n[nH]1 652469838 GBWOXZQJWKPSEH-NOZJJQNGSA-N 286.335 1.858 0 50 CDAA CS[C@H](C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 154144493 XDHYTWPPNKEFRQ-MNOVXSKESA-N 282.413 1.257 0 50 CDAA C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](C)O[C@@]2(CCOC2)C1 376670755 IPCNPUWRAVYMKX-XUJVJEKNSA-N 284.400 1.169 0 50 CDAA COC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C 5384544 XCUQBASELMXBRR-ZDUSSCGKSA-N 265.309 1.379 0 50 CDAA COC1(CNC(=O)c2ncnn2C)CCCCCC1 903044846 IOZRUDDWAIFECX-UHFFFAOYSA-N 266.345 1.284 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)C=C(C1CC1)C1CC1 818310466 JKIAKMVRIPVQAU-INIZCTEOSA-N 293.363 1.825 0 50 CDAA CC(C)(C)OC(=O)NCCN[C@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 924884633 CVQVEBNCQCYPHT-LBELIVKGSA-N 282.384 1.524 0 50 CDAA O=C(c1ccc(C2CC2)nc1O)N1CCCn2nccc21 931494617 MBWRKEBVBLVYGT-UHFFFAOYSA-N 284.319 1.912 0 50 CDAA CCCS(=O)(=O)N1CCN(Cc2ccsc2)CC1 19809182 PBZJURSVWUPOHK-UHFFFAOYSA-N 288.438 1.606 0 50 CDAA Cn1nnc(NC(=O)NCC2CC(c3ccccc3)C2)n1 932257519 ASFUSCLHUZTMGK-UHFFFAOYSA-N 286.339 1.525 0 50 CDAA CN1CCO[C@@H](CNc2ncccc2C(F)(F)F)C1 108945625 KTEQQLYOLACNHV-VIFPVBQESA-N 275.274 1.843 0 50 CDAA O=C(NC[C@H](O)C1CC1)c1cc(O)ccc1Cl 225428921 BTISXEBULYNJOC-NSHDSACASA-N 255.701 1.546 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1Cl 225645040 ZMVQYLUXIYDAKS-WYUUTHIRSA-N 293.706 1.933 0 50 CDAA CCN=c1[nH]c(C(=O)NCC23CCCN2CCC3)cs1 614230346 PYXREECMZILLKX-UHFFFAOYSA-N 294.424 1.355 0 50 CDAA CCCC[C@H](CC(=O)O)NC(=O)c1c(C)ncnc1C 426678201 VNYCAFRHZNTBMH-LLVKDONJSA-N 279.340 1.857 0 50 CDAA Cn1ccnc1[C@H](NC(=O)c1csc(=N)[nH]1)C1CC1 534673882 XYBQGKBSWXDTRL-SECBINFHSA-N 277.353 1.170 0 50 CDAA CC[C@]1(O)CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 495244485 UWSUEXNQVWBIHZ-KQTLUZQSSA-N 282.428 1.774 0 50 CDAA O=C([C@@H]1NCCC12CC2)N1CCc2c(F)cccc2C1 2325774722 NCMUSTYGSDTMDB-AWEZNQCLSA-N 274.339 1.853 0 50 CDAA Cn1nccc1[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(=O)O 901707736 UXTOKURJMNBAJB-FXPVBKGRSA-N 279.340 1.344 0 50 CDAA Nc1nnc(SCC(=O)Nc2ccccc2F)s1 53934 QFCGMWRSXGBGSF-UHFFFAOYSA-N 284.341 1.990 0 50 CDAA CC(=O)NC(=S)Nc1nc2ccccc2n1C(C)=O 199044 ULULYQYBXFVTAG-UHFFFAOYSA-N 276.321 1.529 0 50 CDAA O=C(CSC1=NCCN1)[C@H]1COc2ccccc2O1 226316 XJWGGICMAGRMSX-GFCCVEGCSA-N 278.333 1.088 0 50 CDAA O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 758786 VKDGPXAVGXQODU-UHFFFAOYSA-N 289.740 1.823 0 50 CDAA CN1CCC[C@@]2(CCCN2C(=O)c2ccncc2F)C1=O 2356143312 CIVAJCPSTKQREE-OAHLLOKOSA-N 291.326 1.448 0 50 CDAA CCCN1Cc2nnc(-c3cccc(O)c3)n2[C@H](C)C1=O 2356143340 DBVXUVCRUGEFEW-SNVBAGLBSA-N 286.335 1.964 0 50 CDAA OCCNCCCOc1cccc(Br)c1 3000625 RGQBWUSJCWLWLD-UHFFFAOYSA-N 274.158 1.800 0 50 CDAA CS(=O)(=O)c1nn(Cc2cscn2)nc1C(F)F 1364614283 BOIVNJBNFOVEBE-UHFFFAOYSA-N 294.308 1.124 0 50 CDAA COCCN1Cc2nnc(C(C)(C)C)n2[C@@H](C)C1=O 2356157118 ARYOUARWKGKGRO-VIFPVBQESA-N 266.345 1.125 0 50 CDAA CCOC(=O)c1c(N2C(=O)C=CC2=O)sc(C)c1C 4065145 IDOMJIOORUVCPK-UHFFFAOYSA-N 279.317 1.971 0 50 CDAA O=C(Nc1ccccc1)O[C@@H]1CCS(=O)(=O)C1 4538661 AIHRXFBSORYXBX-SNVBAGLBSA-N 255.295 1.422 0 50 CDAA CC(C)OC[C@H](O)C[S@@](=O)Cc1ccccc1 4948505 RGRKFEQYNLZNMK-SUMWQHHRSA-N 256.367 1.721 0 50 CDAA Cc1ccn(CCNC(=O)Cc2nc3ccccc3o2)n1 20207674 DDJZHFMTWUPSMN-UHFFFAOYSA-N 284.319 1.692 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 226286966 JEQJATQVILZCBG-ZDUSSCGKSA-N 287.363 1.395 0 50 CDAA CCCc1cc(C(=O)N2CCC[C@H]2C(=O)O)[nH]n1 55306782 ONKVARSJDNFOFE-JTQLQIEISA-N 251.286 1.051 0 50 CDAA C[C@H](Cn1ccnc1)NC(=O)N[C@@H](CN)C1CCCC1 416440309 CTBOGVDOWPBRKW-YPMHNXCESA-N 279.388 1.088 0 50 CDAA CN(C)c1nccc(N[C@@H]2CCOC(C)(C)C2)n1 228085735 GZRGPCAJDMWMSV-SNVBAGLBSA-N 250.346 1.912 0 50 CDAA BrC12C3[C@@H]4C5[C@@H]3[C@@H]1C([C@@H]42)C51OCCO1 104280831 UXIMUUDQGPJUPI-FXLDLFBQSA-N 255.111 1.245 0 50 CDAA Cc1cc2cc(CNC(=O)CCS(C)(=O)=O)ccc2[nH]1 62274632 FOEAZQDSRRBUAY-UHFFFAOYSA-N 294.376 1.527 0 50 CDAA O=C(COCC(F)(F)F)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO 305113246 DPYWWDINKZQXCA-WYOJIJJFSA-N 281.274 1.089 0 50 CDAA C[C@@H](SC(=S)SCCC(=O)O)C(=O)O 114845360 IKWGMGMZWODWEO-SCSAIBSYSA-N 254.354 1.686 0 50 CDAA CC(C)N(Cc1nccn1C)C(=O)[C@H]1CCCCO1 67934142 HYFCWGREYVUYLS-GFCCVEGCSA-N 265.357 1.726 0 50 CDAA CO[C@@H](C)c1nsc(NCCc2csc(=O)[nH]2)n1 252482437 DFIQQULSBPDLIQ-LURJTMIESA-N 286.382 1.650 0 50 CDAA O=S(=O)(c1cccc2nonc12)N1CCCC1 105009 CDOCBDRKLHNIMX-UHFFFAOYSA-N 253.283 1.007 0 50 CDAA COC(=O)c1cnc(SC[C@H]2CCCC[C@@H]2O)[nH]1 331355688 QZCDMBZHFWWKEB-SCZZXKLOSA-N 270.354 1.840 0 50 CDAA CC(C)C[C@H](CO)N(C)C(=O)c1cn2ccnc2s1 331405144 OINVYEPJHAGCSD-SNVBAGLBSA-N 281.381 1.875 0 50 CDAA O=C(CCC1CC1)N1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 329126340 YLQCHTRETOQNHW-CYBMUJFWSA-N 299.378 1.354 0 50 CDAA Cc1cc(CNC(=O)[C@H]2CCC[C@H](O)C2)cc(C)n1 219585775 RMHOLBKTBIRDSI-KBPBESRZSA-N 262.353 1.866 0 50 CDAA COC(=O)[C@H]1CCN(Cc2cc(F)ncc2F)C[C@H]1C 253430650 NDIVOQVCHZJAGM-KOLCDFICSA-N 284.306 1.991 0 50 CDAA CCC1(CC)CN(C(=O)c2cnnc(C)c2)CC[S@]1=O 329898648 MJZKMQNKRUWZCI-HXUWFJFHSA-N 295.408 1.548 0 50 CDAA Nc1nccnc1C(=O)Nc1ccc(-c2cnco2)cc1 358842017 SRWABNZYUDWWCK-UHFFFAOYSA-N 281.275 1.966 0 50 CDAA CN(Cc1cnccn1)C(=O)Cn1ncc2ccccc21 216371545 GIORQGNBLIQOSQ-UHFFFAOYSA-N 281.319 1.485 0 50 CDAA COCC[C@H]1COCCN1C(=O)c1cc[nH]c1C 366015577 BOGIWBICGWFQRV-NSHDSACASA-N 252.314 1.201 0 50 CDAA CN1Cc2ccccc2[C@H](NC(=O)C2CCC(O)CC2)C1 366831971 VVQNQDVFXYLFES-LDZOIKDWSA-N 288.391 1.840 0 50 CDAA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCO1 155851371 ROMJUVLBHATDRD-AWEZNQCLSA-N 274.320 1.124 0 50 CDAA O=C(O)C1(C(=O)Nc2cnc3c(c2)CCCC3)CC1 262725409 GILYIYRJLZZNIX-UHFFFAOYSA-N 260.293 1.764 0 50 CDAA COc1ccccc1OCCN1CCN[C@@H](C)C1 33359727 WKKSBZMLDRMLNH-LBPRGKRZSA-N 250.342 1.368 0 50 CDAA C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 173149268 ZWACEQZNPOVOKG-UONOGXRCSA-N 293.411 1.925 0 50 CDAA Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)ccc1-n1cccn1 335140865 YQUCFCGLRKPYLB-BETUJISGSA-N 271.320 1.434 0 50 CDAA COc1cccc2c1OC[C@@H](NC(=O)C1CCOCC1)C2 77310963 KFUINSWCNJIKDS-ZDUSSCGKSA-N 291.347 1.542 0 50 CDAA CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCCO1 239761001 CJDVBKBIKBYHGV-QWHCGFSZSA-N 269.389 1.339 0 50 CDAA COC[C@H]1CN(C(=O)c2cncc(F)c2)CC(C)(C)O1 285494369 MNSANDNNPFZATI-GFCCVEGCSA-N 282.315 1.487 0 50 CDAA NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)o2)cc1 40538121 GPOKWNQSZKAUKJ-UHFFFAOYSA-N 267.262 1.292 0 50 CDAA C[C@](CO)(CNCc1cnc2cnccn12)c1ccccc1 342174320 AVERNJJKRMKYHB-QGZVFWFLSA-N 296.374 1.769 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCC[C@@H]1c1ccc(O)nn1 530078412 GJSWJDXGPYSFCI-HIFRSBDPSA-N 299.330 1.579 0 50 CDAA CCS[C@@H]1CC[C@H](NC(=O)N[C@@H](CC)CO)C1 229844344 NXTMSSJVBYYIDF-GARJFASQSA-N 260.403 1.731 0 50 CDAA O=C(NCC1COC1)c1cnc(-c2cccnc2)s1 530116232 LYGFFORFJCUDRD-UHFFFAOYSA-N 275.333 1.581 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCc1cccnc1 426563029 NYJKPICBWYAWHH-LLVKDONJSA-N 258.325 1.506 0 50 CDAA CCN(CC)c1cc(-c2ccnn2CC)[nH]c(=N)n1 426359085 PJWGNSKOCPRRBJ-UHFFFAOYSA-N 260.345 1.619 0 50 CDAA Cc1nccn1[C@H](C)C(=O)N1CCN(c2cccnc2)CC1 426580919 DUIZGDQJSAVQST-CYBMUJFWSA-N 299.378 1.496 0 50 CDAA COc1ccc(-c2nc(N(C)C)ns2)c(OC)n1 426436501 GIBLYNFHNUTYKU-UHFFFAOYSA-N 266.326 1.683 0 50 CDAA CC[C@H](c1cccnc1)N(C)C(=O)CN1CCN(C)C1=O 426739632 FNOMYRONDXAJNQ-CYBMUJFWSA-N 290.367 1.359 0 50 CDAA COC[C@H](NC(=O)c1ccn(C(C)C)n1)c1ccccn1 426668326 LVNKQICAGOTWBM-AWEZNQCLSA-N 288.351 1.977 0 50 CDAA Cc1ncsc1CCCNC(=O)C[C@H]1CCOC1 426535285 WZYMASAEHZMEDC-LLVKDONJSA-N 268.382 1.927 0 50 CDAA Cc1noc([C@H](C)NS(=O)(=O)c2c(C)noc2C)n1 330779758 MUDBJALZQHCULR-LURJTMIESA-N 286.313 1.022 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)Cc2cc(F)c(F)cc2F)C1 178268170 CZNBLBQNLAOUGH-SSDOTTSWSA-N 287.237 1.580 0 50 CDAA Cc1ccc(-c2cncc(C(=O)N3CCN(C)CC3)n2)cc1 426428364 QMTNQCGBBYQEBK-UHFFFAOYSA-N 296.374 1.840 0 50 CDAA O=C(O)c1cccc(OCCN[C@@H]2CCOC2)c1 236466604 VIELWUYDSBAPSJ-LLVKDONJSA-N 251.282 1.142 0 50 CDAA CC(C)Oc1ccccc1CC(=O)N1CC[C@@H](CN)C1 178531097 LEWGQLZEWTUHDY-ZDUSSCGKSA-N 276.380 1.824 0 50 CDAA CC(C)SCCN1CCCn2nc([C@H](O)CO)cc2C1 230563231 VSLHWLIWOTZRCJ-CQSZACIVSA-N 299.440 1.256 0 50 CDAA CCCn1ncc(C(=O)NCCCn2ccnn2)c1C 92022846 NPEPTBZCYXSXRA-UHFFFAOYSA-N 276.344 1.013 0 50 CDAA CCn1nnc(C)c1C(=O)NC[C@@H](C)c1ccccn1 617069687 ULXAMBWKGOMZOV-SNVBAGLBSA-N 273.340 1.535 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)N2CCc3ccccc32)[C@H]2C=C[C@H]1O2 239175780 QQBZWECDNHYQST-AAVRWANBSA-N 285.299 1.230 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN2C(=O)NC[C@H]2C1 247255922 UWDIWTDQXZUBOA-QEJZJMRPSA-N 299.374 1.335 0 50 CDAA CCn1ccnc1CN(C)c1cc([C@H]2C[C@H](N)C2)ncn1 252522861 BIBCRHULGAQIRW-HAQNSBGRSA-N 286.383 1.534 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1CCOC1 299748494 HGIHSAMWIUHPBK-CYDGBPFRSA-N 281.352 1.657 0 50 CDAA O=C(N[C@@H]1CCCNC1=O)c1cccc(-c2ncc[nH]2)c1 534640859 HSSABBPXEFCHOP-GFCCVEGCSA-N 284.319 1.085 0 50 CDAA O=C(C[C@H]1CCOC1)N1CCCC2(CCNCC2)C1 534659639 OAHQDFKGMGAHTM-CYBMUJFWSA-N 266.385 1.405 0 50 CDAA Cc1cc(CC(C)C)nc(N2CC[C@@H](NCC(=O)O)C2)n1 534666967 VZVGDXPFUPRKQM-GFCCVEGCSA-N 292.383 1.236 0 50 CDAA Fc1cnc(NCC2(CN3CCCC3)CC2)nc1 534631033 BAVIKHYRMJVEJC-UHFFFAOYSA-N 250.321 1.904 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)CCc1ccncc1 299785804 MDODJHVXHUXQPR-LBPRGKRZSA-N 287.367 1.893 0 50 CDAA CCCCS(=O)(=O)N[C@@H](C)c1nncn1CCC 822880436 PULACKDEWSYNAK-JTQLQIEISA-N 274.390 1.469 0 50 CDAA C[C@@H](Cc1ccsc1)n1cnc2cn(C)nc2c1=O 584884999 PQWGZDKJQMLBOB-VIFPVBQESA-N 274.349 1.995 0 50 CDAA CCc1nc(CN(C)C(=O)c2ccncc2C)no1 584899821 RFGYEZWVYGRIRG-UHFFFAOYSA-N 260.297 1.608 0 50 CDAA CN(C)C[C@@H]1COCCN(C(=O)c2ccncc2Cl)C1 584896807 OXKQQOSKAMRELY-NSHDSACASA-N 297.786 1.385 0 50 CDAA CCCn1ncc(C(=O)NCc2nonc2C)c1C 584890269 BDEIWMLJWHEIOO-UHFFFAOYSA-N 263.301 1.223 0 50 CDAA C[C@H](Cn1cccn1)NCCCc1nnc2ccccn12 584901541 SVUOUBXSTNOKMR-CYBMUJFWSA-N 284.367 1.537 0 50 CDAA CCn1cnnc1CN(C)c1nc(-c2ccccc2)no1 670435283 NNKVPBDOMMWUCZ-UHFFFAOYSA-N 284.323 1.984 0 50 CDAA Cc1c(C(=O)N2C[C@@H]3CCC[C@H](C2)C(=O)N3)ccn1C 670446865 NSYCCNIHSPBVNR-NEPJUHHUSA-N 275.352 1.074 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NC[C@@H]1CCCO1 239184800 QZJPDCZBYMDOCY-KKJSVHSVSA-N 267.325 1.029 0 50 CDAA OC1(c2ccccn2)CCN(c2ncnc3[nH]ccc23)CC1 670469389 SZDNTRFIYINFJI-UHFFFAOYSA-N 295.346 1.841 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)Cc2ccc(F)cc2F)C1 630254324 QPFJLYNFFSTAIM-AWEZNQCLSA-N 299.273 1.209 0 50 CDAA CC(C)(CO)C(=O)N1CC[C@H](O)[C@@H](C2CCCC2)C1 1549164193 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CCN1C(=O)C[C@@H](N2C[C@H]3CC(F)(F)C[C@H]3C2)C1=O 1875319285 VYWPFBQADKILBN-KXUCPTDWSA-N 272.295 1.111 0 50 CDAA O=C(CCC(=O)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12)Nc1nccs1 1875302170 CKQQXAMULYYAFF-NAKRPEOUSA-N 291.376 1.729 0 50 CDAA Cc1ccc(CN(C)C(=O)CN2C[C@H]3C[C@@H]3C2)nc1 1875323830 VARZBNOGMHIAKZ-CHWSQXEVSA-N 259.353 1.300 0 50 CDAA C[C@H](c1ccncn1)N(C)C(=O)CCc1cn[nH]c1 952873006 UNMRMCUSJNFFOC-SNVBAGLBSA-N 259.313 1.352 0 50 CDAA Cn1ccc([C@@H]2CCCN2[C@@H]2C[C@H](C(C)(C)C)NC2=O)n1 1875405473 GVXQZJBNYCFPTB-BFHYXJOUSA-N 290.411 1.860 0 50 CDAA O=C(CN1CCCCCC1)N[C@H]1CCC[C@@H](CO)C1 952980952 BDIVRQBQXISVFK-KGLIPLIRSA-N 268.401 1.530 0 50 CDAA O=C(c1csnn1)N1CCOc2ccccc2[C@H]1CO 887108223 ZVTYRGORSANSGA-LLVKDONJSA-N 291.332 1.106 0 50 CDAA Cc1noc2ncnc(NCC3(n4cccn4)CC3)c12 1336740807 RTZIIBCQNNUDNF-UHFFFAOYSA-N 270.296 1.724 0 50 CDAA O=C(c1ccoc1)N1CCC(Nc2ncc(F)cn2)CC1 269515809 UMBOYILOYNDGDJ-UHFFFAOYSA-N 290.298 1.925 0 50 CDAA CCc1nnc(NC(=O)C[C@](C)(O)C2CC2)s1 270086376 NRLLKEANCBEGHV-NSHDSACASA-N 255.343 1.590 0 50 CDAA C[C@@H](Nc1ncnc2nc(N)ccc12)C(=O)NC(C)(C)C 301779111 MIQIRPOPFLMFDK-MRVPVSSYSA-N 288.355 1.322 0 50 CDAA Cc1nn(CC(=O)N[C@@H]2C[C@@H](N)C23CCC3)c2ncccc12 1579895529 OSJILEGVNHCKIK-CHWSQXEVSA-N 299.378 1.126 0 50 CDAA C[C@]1(C(=O)O)CCCN1S(=O)(=O)C[C@H]1CCC1(F)F 630447440 YDSRKNIRZKLDNZ-PSASIEDQSA-N 297.323 1.301 0 50 CDAA O=C(N1CCN(Cc2cscn2)CC1)C1(O)CCCC1 408093655 PFDBRUGFYGYFSY-UHFFFAOYSA-N 295.408 1.092 0 50 CDAA O=C(c1cc(O)nc2ccc(F)cc12)N1CCC(O)CC1 408201603 FVVHCSIOZWPLJA-UHFFFAOYSA-N 290.294 1.676 0 50 CDAA C[C@H]1COC[C@H](C)N1C(=O)c1ccc2c(c1)CCNCC2 276719680 PRINLSXHUWTNAV-STQMWFEESA-N 288.391 1.624 0 50 CDAA COC(C)(C)CCNC(=O)[C@H]1CC12CCNCC2 584884868 CLTNOFQJZGXXTG-LLVKDONJSA-N 254.374 1.307 0 50 CDAA COc1cccc(CCNC(=O)c2cc(C)sn2)n1 585079521 RTZCHEUWUVCUMF-UHFFFAOYSA-N 277.349 1.828 0 50 CDAA COC(=O)C(C)(C)NC(=O)CC[C@H]1CCCCO1 170624666 RQKVOTJHKLRKMD-SNVBAGLBSA-N 257.330 1.404 0 50 CDAA C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CN(C)CCN1C 585125862 HOLGHOALDMQNTA-QXKUPLGCSA-N 293.455 1.563 0 50 CDAA CCC(CC)C(=O)NCc1cn([C@H](C)C(=O)C2CC2)nn1 585138868 NQOIINYBOGHIFC-SNVBAGLBSA-N 292.383 1.871 0 50 CDAA Cc1nnc(N(C)[C@H]2CCCN(CC(C)(C)C)C2=O)n1C 585115962 BRFJQVLZNKBTIC-LBPRGKRZSA-N 293.415 1.597 0 50 CDAA C[C@@H]1OCC[C@@]12CN(c1cc(CO)ccn1)C[C@@H](C)O2 641544505 XJWQUPAVQKLQRS-TYNCELHUSA-N 278.352 1.347 0 50 CDAA COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccon1 189930504 JZVFKUWPROIQNS-YWVKMMECSA-N 264.281 1.088 0 50 CDAA C[C@@H](O)CN(C(=O)Nc1ccsc1)[C@H](C)CO 190087586 FOQZJHVTYIJYPL-RKDXNWHRSA-N 258.343 1.344 0 50 CDAA C[C@@]1(NC(=O)Cc2cnn3ccccc23)CCO[C@@H]1C1CC1 648353339 HDDUDHVLLFJKJD-IAGOWNOFSA-N 299.374 1.951 0 50 CDAA Cc1ccnc(NC(=O)[C@H](C)OC[C@H]2CCCCO2)n1 194651021 SLGAZWQLKIYHAE-NWDGAFQWSA-N 279.340 1.698 0 50 CDAA Cc1c(F)cccc1C(=O)N[C@H](C(=O)O)C1CCOCC1 668304986 AZBCMPFYUQKDHW-ZDUSSCGKSA-N 295.310 1.744 0 50 CDAA Cc1cc(=O)c(C(=O)NCC[C@@H](C)N2CCCC2)c[nH]1 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CCOCCCC(=O)N1CC2(CCOCC2)CC[C@@H]1CO 952883483 MOZMKKFXRGLQPV-CQSZACIVSA-N 299.411 1.583 0 50 CDAA O=C(NO[C@@H]1CCOC1)[C@@H](c1ccccc1)n1cccn1 1875259425 MADRFIFFHUYRAL-ZIAGYGMSSA-N 287.319 1.309 0 50 CDAA CCc1c[nH][nH]c1=NC(=O)Nc1ccnn1C1CCC1 1875271617 RWGWMYOZCQGHPP-UHFFFAOYSA-N 274.328 1.960 0 50 CDAA Cc1ccc2nn[nH]c2c1NS(=O)(=O)C[C@@H]1CCCO1 1875280940 HPAZVWHCKZGWRS-VIFPVBQESA-N 296.352 1.187 0 50 CDAA Cc1nscc1NS(=O)(=O)c1c(C)nn(C)c1C 1875281278 ZMKJVAVUDYEDGG-UHFFFAOYSA-N 286.382 1.603 0 50 CDAA O=C(/C=C/CN1CCCC1)NCC1=CCCOC1 1875338386 VWZLLISBSLTMAQ-ZZXKWVIFSA-N 250.342 1.101 0 50 CDAA O=C(N[C@H]1CCc2ccccc21)[C@@H](O)CNC1CCCC1 1875308690 RUMFEAFSRCEHFU-HOTGVXAUSA-N 288.391 1.683 0 50 CDAA Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)c(C)o1 1875309857 QZDMNRNQODJPEZ-ZRUFSTJUSA-N 299.348 1.284 0 50 CDAA Oc1ncnc2ccc(OC[C@H]3C[N@]3CC3CC3)cc12 1875383851 BLNBNZMIXCANHS-ZMZPIMSZSA-N 271.320 1.808 0 50 CDAA CC1=C(C(=O)N2CCC(N3CCCC3)CC2)OCCO1 952989442 XCAYHAVSGUZCFW-UHFFFAOYSA-N 280.368 1.352 0 50 CDAA CCOc1ccc(CNCCN2CCCC[C@H]2CO)cn1 952972995 QZRPGKCIGRCCSU-HNNXBMFYSA-N 293.411 1.417 0 50 CDAA COc1nc(C)cc(N2CCC[C@@H]2c2ccc(N)nn2)n1 886085745 NHRWEPKZCWIXCC-LLVKDONJSA-N 286.339 1.507 0 50 CDAA C=CC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 1335867568 SSFVRMGGRZGMOE-SNVBAGLBSA-N 260.293 1.103 0 50 CDAA CCCn1cnnc1CN(C)Cc1nnc(C)o1 244858483 VMBMGULCWPAZBW-UHFFFAOYSA-N 250.306 1.012 0 50 CDAA O=C(c1cc[nH]c1)N(CCO)Cc1cccs1 1146882380 BWOAXEVTHHEFII-UHFFFAOYSA-N 250.323 1.711 0 50 CDAA C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@@H](CO)C[C@H]1CO 1775987475 FKGODFMMXJJUTC-HJEFBLDRSA-N 289.375 1.600 0 50 CDAA CCOC(=O)CCC(F)(F)C(=O)N[C@H](C)C[C@@H](C)O 1776005963 KXNPWWLXXRXIAG-RKDXNWHRSA-N 281.299 1.241 0 50 CDAA CCC[C@H]1CN(C(=O)c2cccnc2O)C[C@@H]1C(=O)O 1565516612 XOSMKUOYJUDUES-ONGXEEELSA-N 278.308 1.360 0 50 CDAA CCOC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 19633289 VUBGZIROYCJGOB-UHFFFAOYSA-N 278.352 1.969 0 50 CDAA O=C(Cc1cncnc1)N1CC(Nc2ccc(F)cc2)C1 898447662 KAJJRULVKOQYQL-UHFFFAOYSA-N 286.310 1.481 0 50 CDAA CC[C@H]1C[C@@H](C(=O)NC(C)(C)C(C)(C)O)CCO1 408164115 GORDBTNBPZPEND-QWRGUYRKSA-N 257.374 1.857 0 50 CDAA CO[C@@H]1CN([C@@H](C)c2nnnn2C2CC2)CC[C@H]1C 408350932 XHIJYLFJMFGZOW-JFGNBEQYSA-N 265.361 1.426 0 50 CDAA CN(c1cnc(Br)cn1)[C@@H]1CCOC1 306552076 AQZHXWWBAOLFPU-SSDOTTSWSA-N 258.119 1.464 0 50 CDAA CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@H]2OCC[C@@H]21 669382759 CMWJMVKHSVMLEL-CIUDSAMLSA-N 257.286 1.238 0 50 CDAA C[C@@H](NS(=O)(=O)C1CC1)c1nc(C(F)(F)F)no1 632480625 VYBKKQPRNOAPCW-SCSAIBSYSA-N 285.247 1.231 0 50 CDAA C[C@H](O)CN(C)S(=O)(=O)c1cnc2ccccc2c1 170091099 PIHRNPGJPCOJIX-JTQLQIEISA-N 280.349 1.236 0 50 CDAA CCn1cnc2c(N(C)C[C@H](O)C(F)(F)F)ncnc21 678718142 LDSAWMGBKQTVMN-ZETCQYMHSA-N 289.261 1.206 0 50 CDAA CN(C)C(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114071 VHLMNOHZYARTFB-LLVKDONJSA-N 298.383 1.491 0 50 CDAA C[C@H]1CCNC(=O)[C@@H]1NCc1cccc2c1CCOC2 639625270 RTEMOISJVSPNNK-XHDPSFHLSA-N 274.364 1.374 0 50 CDAA CC[C@@H](NC(=O)N1CC(NC(C)=O)C1)c1nccs1 190169491 WXNQYXFDVPGACQ-SNVBAGLBSA-N 282.369 1.124 0 50 CDAA CC(C)(O)C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1 191894713 ZSXVDCUJGXIYOH-UHFFFAOYSA-N 295.354 1.493 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1nccn1Cc1ccccc1 649454773 TTXQYGRAAIROBH-VXGBXAGGSA-N 285.303 1.591 0 50 CDAA Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2c2ncc[nH]2)n1 195115480 WRBSGKYBODQQSD-CYBMUJFWSA-N 287.367 1.977 0 50 CDAA Cn1cc(-c2cc(CN3CCCC[C@H]3C(=O)O)on2)cn1 566625071 HOIYVSFTMGKOSQ-ZDUSSCGKSA-N 290.323 1.514 0 50 CDAA Cc1cc(F)cc(-n2cc(CN(C)CCO)nn2)c1 656453740 UNDPMCVYSCBQOQ-UHFFFAOYSA-N 264.304 1.139 0 50 CDAA CC[C@]1(O)CCN(C(=O)c2ccccc2N(C)C)C[C@@H]1O 219838466 SJZKBODBFZDQFC-HOCLYGCPSA-N 292.379 1.101 0 50 CDAA C[C@H](Nc1ncc(Cl)cn1)C1(S(C)(=O)=O)CC1 672328334 ONFDUQAMUJKMML-ZETCQYMHSA-N 275.761 1.508 0 50 CDAA C[C@H](N)C(=O)N(Cc1cccnc1)Cc1ccco1 158023058 HEVFINFQMNVXDM-NSHDSACASA-N 259.309 1.551 0 50 CDAA C[C@H](O)CN(Cc1ccc(F)c(F)c1)C[C@@H](C)O 757412 VTCDSSQEVGFXPI-AOOOYVTPSA-N 259.296 1.528 0 50 CDAA C[C@H](C(=O)Nc1cc(C(=O)N(C)C)ccn1)C1CC1 163576953 QTJZYGPUYXPWJE-VIFPVBQESA-N 261.325 1.768 0 50 CDAA CCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C 472392 DPBHLLDNZJSERX-UHFFFAOYSA-N 299.392 1.723 0 50 CDAA C[C@H](NC[C@@]12CNC[C@]1(C(F)(F)F)C2)c1cnn(C)c1 1615059170 WRIWIINQMMCOFP-MVWJERBFSA-N 288.317 1.613 0 50 CDAA C[C@H]1CN(c2cncc(C(=O)O)n2)C[C@]1(O)C1CCC1 1616103911 PFZURHIEAOSASI-LKFCYVNXSA-N 277.324 1.162 0 50 CDAA C[C@H](NC1CCCCC1)c1cn(C2COC2)nn1 1857528951 FCNSPPSMPWBABP-JTQLQIEISA-N 250.346 1.833 0 50 CDAA CN(C(=O)CSCCC(=O)O)c1ccccc1 12954842 SGLGECPJTILPPC-UHFFFAOYSA-N 253.323 1.857 0 50 CDAA Cc1ccc2c(CN3CCNCC3)cc(=O)oc2c1 19804924 OKJVOMAJPDVZJV-UHFFFAOYSA-N 258.321 1.507 0 50 CDAA biogenic,in-vitro CCCOC(=O)CCCCc1c(C)nc(N)[nH]c1=O 5324921 HLRYVQLTZOQEFP-UHFFFAOYSA-N 267.329 1.327 0 50 CDAA CN(C)C(=O)[C@@H]1CC[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 208303199 LSKOADYNXKBDTP-MXWKQRLJSA-N 286.372 1.129 0 50 CDAA O=C(c1ccoc1)N1CCC(O)(c2ccccn2)CC1 584903494 QJBHGPAGZGGXDG-UHFFFAOYSA-N 272.304 1.798 0 50 CDAA O=C(CN1CCOc2ccccc2C1)N[C@@H]1C=CCC1 1857685736 RJCLPGBGRKLIAM-CQSZACIVSA-N 272.348 1.716 0 50 CDAA Cc1cc(CC(=O)N[C@H]2CCC[C@@H](CN)C2)cc(C)n1 1857704386 PRGQSVKVBIRIDG-HIFRSBDPSA-N 275.396 1.875 0 50 CDAA COc1ccc(-c2noc(CCC(=O)O)n2)cc1OC 2358863 QYZVRXJSSXDRLV-UHFFFAOYSA-N 278.264 1.771 0 50 CDAA in-vitro Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)O)C2)s1 136139210 BPZHQJLTMTXIAZ-SNVBAGLBSA-N 267.350 1.922 0 50 CDAA Fc1ccc(N2CC[C@@H](N3CCCNCC3)C2)cc1 259453277 WIRDEYVOVZBSMA-OAHLLOKOSA-N 263.360 1.700 0 50 CDAA C[C@H](CC(=O)O)n1cc(-c2cnc3cnn(C)c3c2)cn1 901116691 OUHSIISQCRWGDH-SECBINFHSA-N 285.307 1.868 0 50 CDAA Cc1ccccc1[C@@H](C)C(=O)Nc1cn(C)nc1C(N)=O 905945976 UWQAYLBLFCRIOW-SNVBAGLBSA-N 286.335 1.570 0 50 CDAA CC(C)c1nsc(Cn2cnc3c(cnn3C)c2=O)n1 916251718 IQOIGVNUSOJPOA-UHFFFAOYSA-N 290.352 1.153 0 50 CDAA CCc1nc(C(=O)NCc2ncc(C)cn2)c(C)o1 910663383 PENRYMFJJMONIQ-UHFFFAOYSA-N 260.297 1.574 0 50 CDAA O=C(NC1COC1)c1cccc2nc(C(F)F)[nH]c12 828186220 XZNNICVBEBVCFN-UHFFFAOYSA-N 267.235 1.629 0 50 CDAA Cc1nc(CN(C)Cc2c(F)cncc2F)no1 930241424 KUMVAIOVUNITJE-UHFFFAOYSA-N 254.240 1.683 0 50 CDAA Cn1c(=O)c2ccccc2n1CC(=O)NCC1CCC1 931245155 CDEWINRRVPLFPH-UHFFFAOYSA-N 273.336 1.256 0 50 CDAA C[C@@H]1OCCO[C@@H]1C(=O)N1CCC(c2nccs2)CC1 931589991 LGSVVOAUHLIBJI-JQWIXIFHSA-N 296.392 1.653 0 50 CDAA Cc1ccccc1NC(=O)N[C@H]1CCS(=O)(=O)C1 4498556 GRHQUUFCIYGUGS-JTQLQIEISA-N 268.338 1.304 0 50 CDAA COC[C@@H]1CN(c2ccc(F)cc2C(C)=O)CCO1 408516838 QXQFNOOEGCYUCO-LBPRGKRZSA-N 267.300 1.880 0 50 CDAA CO[C@@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)C1CC1 668273594 FYYMHOPNZGNZQG-CYBMUJFWSA-N 277.320 1.768 0 50 CDAA CC[C@]1(O)CCCN(C(=O)c2c(C)ncn2C)C1 584889149 HIUVFAJXFVYSIN-ZDUSSCGKSA-N 251.330 1.106 0 50 CDAA CN(CCc1nccs1)C[C@H]1CCCS1(=O)=O 930087862 SYWABQKLJCZFII-SNVBAGLBSA-N 274.411 1.195 0 50 CDAA CN1C[C@H](Nc2cncc(-n3cncn3)n2)CC12CCC2 2325780620 BKUCQUAQCIQNKO-LLVKDONJSA-N 285.355 1.096 0 50 CDAA C[C@@]1(CNCCc2nc(CC(=O)O)cs2)CCCCO1 2325790314 DRTKCQHJBYFBAN-AWEZNQCLSA-N 298.408 1.862 0 50 CDAA C[C@H]1COc2ccc(C(=O)N[C@H](C)c3nc[nH]n3)cc21 2325802125 JOXBHRCVXKHTQM-DTWKUNHWSA-N 272.308 1.792 0 50 CDAA CC1=C[C@H](O)C=C(CO)[C@H]2CC(C)(C)[C@@]2(O)CC1 2332918196 OTLZLFJZXZSMLZ-GZBFAFLISA-N 252.354 1.783 0 50 CDAA O=C(O)CS[C@H]1CC(=O)N(c2ccccc2)C1=O 102720 YTNPLWOAHMUJEA-VIFPVBQESA-N 265.290 1.136 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccnc1 442143 YPGGWPBGMSAMJP-NSHDSACASA-N 261.281 1.273 0 50 CDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCc1ccco1 398288 RQBGJRBAGUFXTF-QWRGUYRKSA-N 251.282 1.787 0 50 CDAA Nc1ccc(-c2ccc(N)c(S(=O)(=O)O)c2)cc1 2038945 FGQDYDZVRHQDIN-UHFFFAOYSA-N 264.306 1.765 0 50 CDAA CC(C)=CCCc1ncnn1-c1ccc2nnc(C)n2n1 2356161004 BUWUARUPHLMILT-UHFFFAOYSA-N 283.339 1.912 0 50 CDAA CCn1c(SCC(N)=O)nnc1-c1ccccc1O 4806918 IEIXHSPKSLOGKL-UHFFFAOYSA-N 278.337 1.248 0 50 CDAA OCC1CCN([C@@H]2CCCN(Cc3cccnc3)C2)CC1 20919708 DXFLTAOKRCOCQY-QGZVFWFLSA-N 289.423 1.750 0 50 CDAA Cc1ccc(OC[C@H](O)CN2C[C@@H](C)OC[C@H]2C)cc1 248003761 FFBIRCAWBLTSQF-RBSFLKMASA-N 279.380 1.844 0 50 CDAA N[C@H]1CCc2cc(Br)ccc2NC1=O 118537346 MLCIKXLZQSZZQS-QMMMGPOBSA-N 255.115 1.661 0 50 CDAA CCc1cccc(NC(=O)CN(C)CC[C@@H](C)O)c1 135414160 XJMVVJAOHWFPLO-GFCCVEGCSA-N 264.369 1.890 0 50 CDAA CC(C)(C)OC(=O)N1CCc2[nH][nH]c(=O)c2CC1 117958543 QZPVVPZGJVEPIG-UHFFFAOYSA-N 253.302 1.039 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H](O)c1ccccc1 120761338 OCYNPYAKJYPATC-RBSFLKMASA-N 277.364 1.897 0 50 CDAA O=C(NC[C@H]1CCCN(c2cnccn2)C1)c1ccncc1 1506429893 VYLXTHHBUJSNNN-CYBMUJFWSA-N 297.362 1.518 0 50 CDAA CSc1nsc(NC(=O)NC2CCN(C)CC2)n1 129760718 XUQHXKSJQDQFEW-UHFFFAOYSA-N 287.414 1.476 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1nnc(-c2ccccc2)o1 332198597 ZJRLKZNQKIRZEI-RYUDHWBXSA-N 277.299 1.641 0 50 CDAA CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)[C@@H]1CCNC1 252656866 WHYYFXQITIXYID-KGYLQXTDSA-N 280.318 1.889 0 50 CDAA Cc1c(NC(=O)Nn2cnnc2)sc(=S)n1C 1426700 FBKMFCCWQVNXJX-UHFFFAOYSA-N 270.343 1.492 0 50 CDAA COc1c[nH]c(C(=O)NC2CCCCCC2)cc1=O 409413829 UHUNZGXKWIRSOF-UHFFFAOYSA-N 264.325 1.836 0 50 CDAA OC[C@H](CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccnc1 329484141 QJGLKVQABGNRCV-ZJIFWQFVSA-N 288.391 1.705 0 50 CDAA CC(C)n1cc(C(=O)NCC2(N(C)C)CCOCC2)cn1 77426978 OJVAOSJUJVAPCF-UHFFFAOYSA-N 294.399 1.305 0 50 CDAA C[C@H]1CCN(CC2CCSCC2)CC[S@]1=O 602637834 ODMHPKDLGUOQKD-MEDUHNTESA-N 261.456 1.973 0 50 CDAA CC(C)c1nnc2sc(CCn3cncn3)nn12 71404210 FWFKYEUVIVLINH-UHFFFAOYSA-N 263.330 1.143 0 50 CDAA CC(=O)c1cccc(NS(=O)(=O)N2CCCC2)c1 12380257 HIFVIRSUGGJZAM-UHFFFAOYSA-N 268.338 1.642 0 50 CDAA CCN(CC)S(=O)(=O)N[C@@H](C)c1ccc(Cl)cn1 330478954 NQJWQOWDYDLMPJ-VIFPVBQESA-N 291.804 1.972 0 50 CDAA CC(C)c1n[nH]c([C@H]2CN([C@H]3C[C@@H](C)OC3=O)CCO2)n1 257365899 BAEOUQAUCNTPGW-OUAUKWLOSA-N 294.355 1.005 0 50 CDAA Cn1cccc1CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 376780516 VMYDLDJHYXYSPR-GFCCVEGCSA-N 289.379 1.432 0 50 CDAA O=[S@@](Cc1nc(O)cc(C(F)(F)F)n1)CC1CC1 155271093 FWYSJYOXMNOTBA-SFHVURJKSA-N 280.271 1.860 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)C(=O)c1ccc(Cl)cc1 155905694 WJEFONRLKAPFAK-ZETCQYMHSA-N 269.684 1.454 0 50 CDAA COCc1nc2n(n1)C[C@@H](NC(=O)OC(C)(C)C)CC2 129066157 KCKGEOUHGOCQNL-VIFPVBQESA-N 282.344 1.264 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 156377304 ODENXLTXQIWLDF-UTTOWCGFSA-N 259.353 1.681 0 50 CDAA O=C(Cc1ccncc1)Nc1ccc2c(c1)C(=O)NC2 334490877 WKSRTEPEICXFPG-UHFFFAOYSA-N 267.288 1.506 0 50 CDAA Cc1ccc(-n2cc(C(=O)N3CCCC[C@@H]3CN)nn2)cc1 237828615 OGETWUNDXKEJEO-CQSZACIVSA-N 299.378 1.529 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@@H](N)C1CCOCC1 262117172 WBFAVGUESWCDPL-RDBSUJKOSA-N 298.427 1.450 0 50 CDAA COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O 42684339 CIJWYGWNKOFQDQ-CYBMUJFWSA-N 278.283 1.527 0 50 CDAA in-vitro CCO[C@H]1C[C@H](O)C12CCN(C(=O)C1(N)CCCC1)CC2 262477401 QKNQMCAIJVEOQQ-STQMWFEESA-N 296.411 1.036 0 50 CDAA C[C@H]1CCSCCN1C[C@H](O)COC(C)(C)C 241644157 POSIQBPLJALLAP-RYUDHWBXSA-N 261.431 1.990 0 50 CDAA CO[C@H](C(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1ccccc1 241926461 UGJIPCPPUREGOB-QMHWVQJVSA-N 289.375 1.897 0 50 CDAA 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279.336 1.940 0 50 CDAA O=C(NC[C@H]1CCCO1)c1ccc(-c2cnc(O)nc2)cc1 426707367 GBCOFQYYQCNESA-CQSZACIVSA-N 299.330 1.758 0 50 CDAA CCCN(Cc1nccn1C)C(=O)[C@H](C)OCC 426712561 CXPNJXNFPWLHKW-NSHDSACASA-N 253.346 1.584 0 50 CDAA C[C@@H](C[S@@](=O)C1CCCC1)CS(C)(=O)=O 161034968 XPCBJPMIYBYMOB-XPTSAGLGSA-N 252.401 1.358 0 50 CDAA CC(C)[C@@H]1CN(c2nccs2)C[C@H]1NS(C)(=O)=O 82120587 AMDRYXJQUCEXDP-VHSXEESVSA-N 289.426 1.153 0 50 CDAA Cc1ccc2nc(C(=O)NCc3ncc[nH]3)c(F)n2c1 426423120 UDIMEVGYMOCHCG-UHFFFAOYSA-N 273.271 1.435 0 50 CDAA O=C(O)[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1C1CC1 92028216 WHTGDEQNEFLKCU-QWHCGFSZSA-N 280.368 1.042 0 50 CDAA CC(C)c1cc(CSc2nnc(CCN)n2C)no1 426544802 MRXAIRLMPMLNSA-UHFFFAOYSA-N 281.385 1.720 0 50 CDAA Cc1nnc2n1[C@H](C)CN(C(=O)c1cccc(N(C)C)c1)C2 96142180 AZTZUBQAZYWUBP-LLVKDONJSA-N 299.378 1.870 0 50 CDAA CC[C@H](c1nc(-c2cccnn2)no1)n1cccn1 95504019 HWWGZLCHKWJXGH-SNVBAGLBSA-N 256.269 1.723 0 50 CDAA CC[C@@]1(CO)CCCN(Cc2noc(COC)n2)C1 91780429 FWEOPADUNJVNDR-CYBMUJFWSA-N 269.345 1.201 0 50 CDAA Cc1ccc(F)cc1CN1CC[C@H](CO)[C@@H](O)C1 336522438 MLKONBJMIYKSGQ-RISCZKNCSA-N 253.317 1.309 0 50 CDAA COC(=O)c1nn(-c2ccc(F)c(F)c2)c(=O)cc1OC 96511615 ONNUFHCCUKGRHA-UHFFFAOYSA-N 296.229 1.306 0 50 CDAA O=C(O)c1cnc2[nH]nc(I)c2c1 96125913 CUTUNPSLNLUDSY-UHFFFAOYSA-N 289.032 1.261 0 50 CDAA CCc1nnc(CNc2nc(N)nc(CC)c2C)o1 95357227 ZHKQPGDJASRMPZ-UHFFFAOYSA-N 262.317 1.487 0 50 CDAA O=C(Cc1cccnc1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244724686 MYRJQRIWOQZOSB-JKIFEVAISA-N 297.358 1.648 0 50 CDAA CCN(C[C@@H]1CCCCO1)C(=O)CCCn1cncn1 244734343 NDTBFPAEWNPNSX-ZDUSSCGKSA-N 280.372 1.476 0 50 CDAA CC1(C)C[C@H](NC(=O)c2ccc(OCC(=O)O)cc2)CO1 621539567 QUIXCYVPANJUHP-NSHDSACASA-N 293.319 1.447 0 50 CDAA Cc1c(CCC(=O)N2CC[C@@H](CCCO)C2)cnn1C 622677929 NLSULZBMHXNRAH-CYBMUJFWSA-N 279.384 1.282 0 50 CDAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(F)cn1 182878917 MIWGSCDTNPWXQC-VIFPVBQESA-N 290.342 1.932 0 50 CDAA O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(F)c1Cl 299743143 MBZZKSMQNAOYRK-LDYMZIIASA-N 296.729 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Cc1cnc(CN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)[nH]1 1772818268 BSWTXUXTZCFIKX-ZDUSSCGKSA-N 278.400 1.797 0 50 CDAA Cc1ncc(Cl)c(NC2(C(N)=O)CCCC2)n1 1772706140 QVLWEMXYEDHSSH-UHFFFAOYSA-N 254.721 1.648 0 50 CDAA Cc1ccc(OCCSc2nc(N)cc(=O)[nH]2)cc1 13930343 QNTGYECJSOYBKA-UHFFFAOYSA-N 277.349 1.832 0 50 CDAA Cc1ccc(COC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 16579253 NAFHMESIBRXAPD-HLLBOEOZSA-N 293.407 1.982 0 50 CDAA CNc1nc(C)c(C(=O)N(C)Cc2ccncn2)s1 19770891 VSIYRMVIGMTMQS-UHFFFAOYSA-N 277.353 1.555 0 50 CDAA COc1ccc(S(=O)(=O)NCc2ccncc2)cc1F 4999582 VKXHJCDXNMDNLE-UHFFFAOYSA-N 296.323 1.708 0 50 CDAA O=C(CCCC(=O)NCc1ccco1)NCc1ccco1 2749996 GQSGQFGJZCNSRJ-UHFFFAOYSA-N 290.319 1.976 0 50 CDAA CC[C@@]1(C(=O)NCCn2cnc(C)c2C)C[C@@H]2CC[C@H]1N2 1857670490 PXUKHRGWZGLIQF-SQWLQELKSA-N 290.411 1.537 0 50 CDAA Cc1ncc(C(=O)N2CC(Oc3ccccc3C)C2)[nH]1 1857703096 IUYBOJMQTCEDDK-UHFFFAOYSA-N 271.320 1.930 0 50 CDAA C[C@H]1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C[C@@]1(C)CO 620452641 WSTNHGZECVYGIU-BONVTDFDSA-N 289.335 1.760 0 50 CDAA C[C@@H]1CCNCC[C@H]1NCc1ccccc1S(C)(=O)=O 423191011 SHOCRSHYQHVHRT-TZMCWYRMSA-N 296.436 1.568 0 50 CDAA C[C@H](CN(C)C(=O)C(C)(C)C1CCCC1)c1nnn[nH]1 124506092 GADBWRNYBGCZRT-SNVBAGLBSA-N 279.388 1.978 0 50 CDAA O=C(NCc1ccccc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 238901124 LCEPYSWGIYYUNZ-SHTZXODSSA-N 299.378 1.796 0 50 CDAA CO[C@@H](C(=O)N1CCCN(c2nccs2)CC1)C1CC1 240540876 GPXHZDNEHSBRDZ-GFCCVEGCSA-N 295.408 1.607 0 50 CDAA NCCc1c(-c2cccc(Cl)c2)[nH]n(C(N)=S)c1=O 12404569 ORWSFNGAPSOWFC-UHFFFAOYSA-N 296.783 1.090 0 50 CDAA in-vitro C[C@](O)(CNC(=O)NCc1noc2ccccc12)C1CC1 566435210 OUGJUHBIXDAWQM-HNNXBMFYSA-N 289.335 1.788 0 50 CDAA Cc1ncc(CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)s1 253396971 DPASZUPEXWPOKX-JTQLQIEISA-N 298.412 1.493 0 50 CDAA C[C@H]1CN(C2CCN(c3cnccn3)CC2)CCO1 253418796 HOECEYPPJZQOOC-LBPRGKRZSA-N 262.357 1.166 0 50 CDAA NC(=O)c1ccc(NC(=O)CSc2ccccc2)cn1 359225418 TWPMPLVDYJQDSM-UHFFFAOYSA-N 287.344 1.911 0 50 CDAA c1ccc2nc(N3CCN4CCOC[C@H]4C3)cnc2c1 363779743 TXQPITUEIFUKNL-GFCCVEGCSA-N 270.336 1.151 0 50 CDAA N[C@H]1CCCN(C(=O)c2ccc(-c3ncon3)cc2)C1 158353848 IFQWTVZPJDDDDX-LBPRGKRZSA-N 272.308 1.300 0 50 CDAA CN(Cc1cccnc1)C(=O)C1(S(C)(=O)=O)CCCC1 264575036 GKBVPAHZNZRMOM-UHFFFAOYSA-N 296.392 1.397 0 50 CDAA Cc1ncc(C(=O)N2CCc3[nH]ncc3C2)c(C(C)C)n1 265337009 UPARQVMQDLIMGU-UHFFFAOYSA-N 285.351 1.830 0 50 CDAA Cc1ncoc1CNS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 907596416 BZJXYZOWVNYOMA-GXTWGEPZSA-N 292.360 1.959 0 50 CDAA C=CC(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1 1262555848 LLYNVDJUQFSNRL-MRVPVSSYSA-N 264.247 1.090 0 50 CDAA COC(=O)c1nc2ccc(Br)cn2n1 238421928 YSNFWGGAQOISLK-UHFFFAOYSA-N 256.059 1.278 0 50 CDAA O=C(Cn1nnc2ccccc2c1=O)c1ccccc1 3618162 PVRJKRLDFVMMQS-UHFFFAOYSA-N 265.272 1.674 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)COC1CCCCC1 237392655 KTUWMPFMTFIWHW-VXGBXAGGSA-N 254.374 1.674 0 50 CDAA C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCS1(=O)=O 155369464 YBYFRGXRORRRLW-LLVKDONJSA-N 297.376 1.077 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N(C)[C@H](CN)C2CC2)s1 261594202 ZSRNGIVRWRZFEL-LLVKDONJSA-N 288.438 1.723 0 50 CDAA O=C1CC[C@H](C(=O)NCCCOC2CCCCC2)CN1 47774630 JJTWOHPHNLILTO-LBPRGKRZSA-N 282.384 1.368 0 50 CDAA CN1C[C@H](CNc2cccc(C(F)(F)F)n2)CC1=O 664456774 NWRPIERZLGWQHT-QMMMGPOBSA-N 273.258 1.991 0 50 CDAA O=C(O)CN1CC[C@H](Oc2ccccc2Cl)C1=O 663219577 QSXMZZJWJSAWJK-JTQLQIEISA-N 269.684 1.404 0 50 CDAA Cc1ccc([C@@H](N)C(=O)NCc2oc(C)nc2C)cc1 394246846 YFFFIBPBLGWCAX-CQSZACIVSA-N 273.336 1.916 0 50 CDAA O[C@H]1[C@@H]2C[C@H](CN=c3[nH]c4cccc(F)c4o3)[C@@H](C2)[C@H]1O 2325789645 BHBPZJAWSXVBMI-KQKVGFIHSA-N 292.310 1.179 0 50 CDAA NC[C@H](O)COc1ccc(-c2cnn3cccnc23)cc1 2325872358 UDCGYXHSWXKXPP-LBPRGKRZSA-N 284.319 1.095 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]12 29106 FLJJAJJARNCUPA-YMEQNVIZSA-N 299.282 1.218 0 50 CDAA O=C(Nc1ccccc1)Nc1snnc1C(=O)O 35524 PNNXLYVXQWUPMD-UHFFFAOYSA-N 264.266 1.880 0 50 CDAA NC1=NC(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S1 216235 UFMQWRSRNITUQW-QMMMGPOBSA-N 267.285 1.111 0 50 CDAA COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 304362 SONKSHWXWHWISY-QWRGUYRKSA-N 285.365 1.493 0 50 CDAA COc1cc(NC(=S)N2CCN(C)CC2)cc(OC)c1 307233 SDMJDPSMIDOOBN-UHFFFAOYSA-N 295.408 1.648 0 50 CDAA Cc1c(C(=O)c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] 1663190 XFBLYNKNXQDAOQ-UHFFFAOYSA-N 280.283 1.646 0 50 CDAA CN1CCC[C@@]2(CCCN2C(=O)c2ccncc2)C1=O 2356138090 HKBBABDEQCBWIS-OAHLLOKOSA-N 273.336 1.309 0 50 CDAA O=S(=O)(NCc1ccco1)N1CCCCCC1 2881931 CRPITDPBMAXSRZ-UHFFFAOYSA-N 258.343 1.490 0 50 CDAA COc1cc([C@H]2NCCc3[nH]cnc32)cc(OC)c1OC 3182923 VYKDKBZUOBCVTK-CYBMUJFWSA-N 289.335 1.671 0 50 CDAA biogenic O=C(CSc1nnc[nH]1)Nc1cccc(C(=O)O)c1 3656653 LTTDKECTAGLZSO-UHFFFAOYSA-N 278.293 1.234 0 50 CDAA O=C(CCc1cccnc1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356166219 XOSNIDWWBXKOIZ-FICVDOATSA-N 274.364 1.919 0 50 CDAA O=C(Nc1cccnc1)c1ccc(-n2cnnc2)cc1 6703978 RXCKSOWQJHZQEW-UHFFFAOYSA-N 265.276 1.915 0 50 CDAA CCCNC(=O)c1cccc(NS(C)(=O)=O)c1 10314801 RGXRGKJAHQTRNX-UHFFFAOYSA-N 256.327 1.198 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NS(=O)(=O)c1cnccn1 225417205 DWBPQOJUMUXMQE-DCAQKATOSA-N 295.364 1.108 0 50 CDAA COCCNC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)N2C(C)C 246281992 HXHUPBOMGKMDSI-ZNMIVQPWSA-N 297.443 1.085 0 50 CDAA CCCc1cc(C(=O)N2C[C@H]3CCC[C@H](C2)C(=O)N3)no1 102234948 URNPOYYMBVHVGR-GHMZBOCLSA-N 291.351 1.368 0 50 CDAA NC(=O)CN1CCc2onc(-c3ccccc3)c2C1 67785216 FCZHIANFHXNHTA-UHFFFAOYSA-N 257.293 1.185 0 50 CDAA CC(C)(C)C1CCC2(CC1)NC(CO)(CO)CO2 20146024 DISPOMZMACBSJV-UHFFFAOYSA-N 257.374 1.262 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)n[nH]1 249472223 HGXBCTLYOYRXGM-HATUHQCHSA-N 275.352 1.374 0 50 CDAA COC(=O)c1ncn(C[C@H](O)c2ccc(F)cc2)c1CO 409444159 ICXBNBQHBMZQBZ-LBPRGKRZSA-N 294.282 1.035 0 50 CDAA CCO[C@@H](C)c1n[nH]c(=O)n1Cc1cccs1 67459290 UWYIQDRBVFCHHP-QMMMGPOBSA-N 253.327 1.779 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCN(C2CCNCC2)C1 22014981 FWXFHIGFBZXEOP-LLVKDONJSA-N 269.389 1.337 0 50 CDAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1c(F)ccc(C)c1Cl 67695222 IHAVSPHJZXGTMM-SKDRFNHKSA-N 299.777 1.435 0 50 CDAA Cc1cncc(C(=O)N2CC[C@@H](C(=O)O)C[C@H]2C)c1 235348642 WBRLMRGSQVBKHV-GHMZBOCLSA-N 262.309 1.715 0 50 CDAA CCC/C=C/CN1CCc2nc(C)n(C)c(=O)c2CC1 65493114 ROJPEGBWUPBHIW-VOTSOKGWSA-N 275.396 1.846 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)c2scnc2Cl)C1 328596309 FOSVNUOTKBKLPZ-JGVFFNPUSA-N 273.789 1.996 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)COc1ccc2c(c1)OCO2 67817015 XCNNCYITNQECTP-UHFFFAOYSA-N 289.291 1.176 0 50 CDAA COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Cl 168239 CFZMOXYNBKXBFH-UHFFFAOYSA-N 294.694 1.681 0 50 CDAA COC(=O)C1=C(C)N(Cc2ccc3c(c2)OCO3)C(=O)C1 1406700 HKIPTMWKVNYUTG-UHFFFAOYSA-N 289.287 1.595 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C 36107548 RCLYFXWPIICPHM-UHFFFAOYSA-N 282.409 1.548 0 50 CDAA C[C@@H]1CN(C2CCN(C(=O)c3ccc[nH]3)CC2)CCO1 124270327 BGUQEYBKYIGFQA-GFCCVEGCSA-N 277.368 1.340 0 50 CDAA Cc1ncc(C(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)c(C2CC2)n1 329826624 ISPOBYVAEKORHJ-IACUBPJLSA-N 287.363 1.505 0 50 CDAA Cc1cc2nc(C(C)C)cc(N3CCN[C@H](C)C3)n2n1 72447862 WIHXZCPRMBQSKM-GFCCVEGCSA-N 273.384 1.959 0 50 CDAA Cc1nc2nc(C)c3c(=O)n(-c4ccccn4)ccc3n2n1 72117728 KSTFMNZYYFOHMI-UHFFFAOYSA-N 292.302 1.440 0 50 CDAA Cc1nc2ccc(CNC(=O)c3ccc(CO)o3)cc2[nH]1 215163231 PGHVOXFBEPUUTD-UHFFFAOYSA-N 285.303 1.887 0 50 CDAA C[C@@H]1CN(C)c2ccccc2N(C(=O)[C@]2(F)CCNC2)C1 152302025 VUQJPRZUQYDKFM-WBMJQRKESA-N 291.370 1.807 0 50 CDAA CN(CCO)CCCCCCCCCCN(C)CCO 71771348 OFVHQSQWLXIINL-UHFFFAOYSA-N 288.476 1.955 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc[nH]c1C 332637120 ACXWSKJJTRUBQM-WDEREUQCSA-N 252.314 1.199 0 50 CDAA Cc1cc(NC(=O)CC2(C(=O)O)CCC2)ccc1C(N)=O 262792976 NIWIJENMINBXBA-UHFFFAOYSA-N 290.319 1.677 0 50 CDAA O=C(CCCN1CCOCC1)N[C@H]1CC[C@@H]2CCC[C@@H]21 77506068 ZFUQOVBWSPMFJD-KKUMJFAQSA-N 280.412 1.794 0 50 CDAA CN1CCN(CC2CCN(C(=O)[C@@H]3CC3(C)C)CC2)CC1 129801159 RQFSGBKDGRAMRC-HNNXBMFYSA-N 293.455 1.519 0 50 CDAA COc1ccc(F)cc1C(=O)N(C)C1CCNCC1 262249362 SJOQTULWPVNUBQ-UHFFFAOYSA-N 266.316 1.658 0 50 CDAA C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)N1CC(n2cncn2)C1 373817721 BQRYGRPLGRDMIW-NILFDRSVSA-N 282.347 1.711 0 50 CDAA CN1C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)CCC1=O 133223854 QGVKWJGBZVVZRF-MCIONIFRSA-N 272.348 1.527 0 50 CDAA C[C@H]1CC(=O)NCCN1C(=O)Cc1coc2ccccc12 375801467 KORFIEXCEHFNIE-NSHDSACASA-N 286.331 1.712 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2ccccn2)CCC1(F)F 336396500 FZXYABYQMHMQOI-VIFPVBQESA-N 276.308 1.747 0 50 CDAA CN1CC[C@H]2CN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C[C@H]21 77354720 JXZGEGHMXGAFLG-GOEBONIOSA-N 296.374 1.853 0 50 CDAA Cc1ccc(OC[C@H](C)NS(C)(=O)=O)cc1C 71375402 CTBPLZKWJISWKA-NSHDSACASA-N 257.355 1.620 0 50 CDAA CN(Cc1cc[nH]n1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 337895554 LBZFJEXLWPBCRZ-HOCLYGCPSA-N 285.395 1.930 0 50 CDAA NC[C@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 131718239 SWCPQNYHLJXZRQ-SNVBAGLBSA-N 276.308 1.077 0 50 CDAA COCCOc1cccc(C(=O)N2CC[C@](F)(CO)C2)c1 338743057 JHEUSHMVWXSAIL-OAHLLOKOSA-N 297.326 1.258 0 50 CDAA CN(C)[C@H]1CCCCN(C(=O)CCc2csc(N)n2)C1 82156715 UQXJHMNSAYEPBJ-LBPRGKRZSA-N 296.440 1.601 0 50 CDAA Cc1nc2c(c(NCc3n[nH]c4c3CCC4)n1)CCNCC2 198893066 NGHYYGHPVXJXRI-UHFFFAOYSA-N 298.394 1.297 0 50 CDAA O=C(CCc1ccc(F)cc1F)NCCCn1cncn1 223377740 RFZBMOZKOVLZCZ-UHFFFAOYSA-N 294.305 1.695 0 50 CDAA Cc1c(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccn1C 195245074 YZFZVPSAHGYCQH-AWEZNQCLSA-N 293.411 1.516 0 50 CDAA CC(C)[C@@H](NC(=O)c1ccc(C(=O)O)cc1)c1ncon1 263571658 JQZDARHJJGKAEH-LLVKDONJSA-N 289.291 1.895 0 50 CDAA O=C(C[C@@H]1CCCOC1)NCc1nc(C(F)(F)F)n[nH]1 426486019 FZIYSWQGWCYTSB-ZETCQYMHSA-N 292.261 1.256 0 50 CDAA Cc1nn2c(nnc3c(=O)n(N)ccc32)c1-c1ccccc1 40385373 JAYDOAABQSDONH-UHFFFAOYSA-N 292.302 1.128 0 50 CDAA C[C@]1(C(=O)NCc2n[nH]c3c2CCCCC3)CCCO1 426549126 IDGPKGFTVSCGEL-OAHLLOKOSA-N 277.368 1.864 0 50 CDAA O=C(NCCn1ccnc1)N1C[C@H]2CC=CC[C@H]2C1 426359092 PWJONBSNLDTTGL-BETUJISGSA-N 260.341 1.491 0 50 CDAA CC(C)n1nccc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 426529308 MYXWIMSCISGHAN-PJXYFTJBSA-N 263.341 1.307 0 50 CDAA COc1ccc2c(c1)OC[C@@H](Cc1ncccc1C(N)=O)C2 95519752 APRJNQXSIHWING-LLVKDONJSA-N 298.342 1.983 0 50 CDAA CCCN(CCOC)C(=O)N[C@H](C)c1n[nH]c(C)n1 426578589 LGCGCYPCOZXDMT-SECBINFHSA-N 269.349 1.242 0 50 CDAA CN(Cc1noc(C2CCC2)n1)C(=O)C[C@H]1CCOC1 426503449 SHACPEZDKSYIMD-SNVBAGLBSA-N 279.340 1.722 0 50 CDAA CCc1cnc(N)nc1NCCSc1nnc(C)s1 91650425 VVODHQDDZSTEHE-UHFFFAOYSA-N 296.425 1.985 0 50 CDAA COC(C)(C)CNC(=O)N(C)CCc1c(C)n[nH]c1C 426707601 ZJHDNYFPWDASGC-UHFFFAOYSA-N 282.388 1.635 0 50 CDAA Cc1nc(CN2C(=O)CCc3ccccc32)n(C)n1 95525429 LEXFLPJEQJIOAX-UHFFFAOYSA-N 256.309 1.603 0 50 CDAA Cc1cc(C)c(C(=O)NCCc2nnc(C)s2)c(=O)[nH]1 91997741 LJPOKCQRHIXIBM-UHFFFAOYSA-N 292.364 1.124 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)cc1Cl 237752473 IXFXCBWGKMDWLV-SNVBAGLBSA-N 288.800 1.679 0 50 CDAA CC(C)n1cnnc1CN(CCO)Cc1ccco1 244641209 GLJBCBSWCXJEEE-UHFFFAOYSA-N 264.329 1.447 0 50 CDAA CCc1nccn1CCNC(=O)COC[C@H]1CCCCO1 244884120 YFRGROWBIUIESY-CYBMUJFWSA-N 295.383 1.147 0 50 CDAA CCN1C[C@H](C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1=O 246746031 JHVMCSHURDZSOJ-YNEHKIRRSA-N 264.369 1.646 0 50 CDAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H](C)[C@H]1C 183457403 AXQOBPOXKMBDCO-MDZLAQPJSA-N 270.373 1.173 0 50 CDAA CCN1CCC(NC(=O)Cc2ccc3c(c2)OCO3)CC1 298976673 FLLGWUMICVBCFO-UHFFFAOYSA-N 290.363 1.558 0 50 CDAA Cn1nc2c(c1NC(=O)CCn1cccn1)CCC2 299294041 LSSIZXIHOGJBNS-UHFFFAOYSA-N 259.313 1.134 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1cccc2c1OCO2 299744947 QFKKPUQZZLDKIT-SECBINFHSA-N 263.249 1.105 0 50 CDAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2nc(N)n[nH]2)c1 534589561 LBWBBMLBHYYPIF-JTQLQIEISA-N 289.339 1.087 0 50 CDAA CN(C)Cc1ccc(-c2nc(C(=O)O)nn2C)cc1 534637676 BSNHAIKCTCSEGU-UHFFFAOYSA-N 260.297 1.242 0 50 CDAA CCCc1cc(CN(C)C(=O)[C@H]2CC23CCNCC3)n[nH]1 534575297 VTDJYHKRHNVGIY-CQSZACIVSA-N 290.411 1.710 0 50 CDAA CC(C)(CO)NC(=O)c1cc(F)ccc1OCCCN 299792342 FJBRXRASHLEMCO-UHFFFAOYSA-N 284.331 1.054 0 50 CDAA COc1ccc2c(c1)O[C@H](C)CN(CCC(=O)O)C2 299774411 CWZBQMDNVYEWIW-SNVBAGLBSA-N 265.309 1.753 0 50 CDAA Cc1cc(N)cc(CNC(=O)[C@H](C(=O)O)C(C)C)c1 656852440 BJOCUWVRSNXZGE-GFCCVEGCSA-N 264.325 1.550 0 50 CDAA CN1CC[C@](C)(CNS(=O)(=O)CC2CCCC2)C1 823754912 ACNNUAQFEOLLHM-CYBMUJFWSA-N 274.430 1.438 0 50 CDAA O=C(N[C@@H]1CCc2c[nH]nc2C1)c1cc2c(nc1O)CCC2 584885365 SIMVPSOWWYPXBM-LLVKDONJSA-N 298.346 1.286 0 50 CDAA COc1cccc2c(=O)n([C@H](CO)CCSC)cnc12 584885709 FSVKGVYCQLLNKC-JTQLQIEISA-N 294.376 1.692 0 50 CDAA CS(=O)(=O)c1cnc(Sc2ccccc2)[nH]c1=N 585152288 KOIZDASLTAGLJW-UHFFFAOYSA-N 281.362 1.444 0 50 CDAA COC(=O)c1cc(O)cc(C(=O)N(C)CCC(C)(C)O)c1 584888495 JLHDYPKJJXFMMJ-UHFFFAOYSA-N 295.335 1.412 0 50 CDAA CO[C@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H]1O 584887398 BTXDOEWWJFVJQZ-BQBZGAKWSA-N 261.730 1.233 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCC(Cn2ccnc2)CC1 584894664 CJXOSKKMWLUIIA-AWEZNQCLSA-N 277.368 1.548 0 50 CDAA Cc1nc2ncccn2c1C(=O)N1CCOC(C)(C)C1 584902398 XZLANAFYAIBDLV-UHFFFAOYSA-N 274.324 1.289 0 50 CDAA COCCN1CCC[C@@H](CNC(=O)C2(COC)CCC2)C1 670440552 FBQWFSLYKFWUQY-AWEZNQCLSA-N 298.427 1.278 0 50 CDAA CCS(=O)(=O)NC[C@@H](C)N1CCOc2ccccc2C1 670459601 FJXNVVHXVUFODC-GFCCVEGCSA-N 298.408 1.209 0 50 CDAA O=C(N[C@@H]1COc2ccccc2C1)c1ccns1 1541096947 AGHHRODDUZCMSG-JTQLQIEISA-N 260.318 1.877 0 50 CDAA Cc1nonc1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 873281489 JTJJCLMKABQVHR-BXUZGUMPSA-N 294.355 1.215 0 50 CDAA C[C@H]1CN(C)[C@H](C)CN1C(=O)c1ccc(OCCO)cc1 952884886 OTDLDEAFNLYKHH-OLZOCXBDSA-N 292.379 1.222 0 50 CDAA CNC(=O)c1cccc(N=S2(=O)CCCC2)c1 1875292582 MXHWIUBQEYQAON-UHFFFAOYSA-N 252.339 1.940 0 50 CDAA CC(=O)N1CCCN(Cc2cnc3cc(C)nn3c2)CC1 1875255280 SXGZCVBCFJNSRD-UHFFFAOYSA-N 287.367 1.092 0 50 CDAA COC(=O)CCCC(=O)n1[nH]c(=N)c2ccc(F)cc21 1875312516 NGLBBTNEYIUDAP-UHFFFAOYSA-N 279.271 1.571 0 50 CDAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)c1ccnc(C2CC2)n1 1875310767 BSEWWFJYCMFJRE-KLBPJQLPSA-N 287.319 1.193 0 50 CDAA Cc1cc(CNC(=O)[C@]23C[C@@H]2CC[C@@H]3N)cc(C)n1 1875310731 AAPNVLARJIZOBF-KCQAQPDRSA-N 259.353 1.442 0 50 CDAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)[C@H]1CCN1 952971851 YHKKYNMSTCTPPE-CYBMUJFWSA-N 286.379 1.624 0 50 CDAA Cc1cc(C)n(CCCN(C)C(=O)CCc2cn[nH]c2)n1 952861050 XIGVFFHMNZSPON-UHFFFAOYSA-N 289.383 1.704 0 50 CDAA COCCN(C)CC(=O)Nc1cccc(-c2cnc[nH]2)c1 952967473 HWNIZHPGYZCWJR-UHFFFAOYSA-N 288.351 1.593 0 50 CDAA CC(=O)N1C[C@@H](NC2CCOCC2)CC[C@@H]1C(F)(F)F 886035957 VHNGPFKOKFXURP-NWDGAFQWSA-N 294.317 1.697 0 50 CDAA O[C@H]1C[C@H](Nc2ncccc2Br)CC[C@H]1O 896969460 KOAFJSHAPASUBB-QNSHHTMESA-N 287.157 1.530 0 50 CDAA CC1(C)[C@@H](CNC(=O)c2cnn3ccc(N)cc23)C1(F)F 1775961145 DAKYAKUUSDVPSR-LLVKDONJSA-N 294.305 1.938 0 50 CDAA O=C(NCc1ncc(C(F)(F)F)cn1)c1ccc(O)nc1 1362597874 HISMBNJCABACJE-UHFFFAOYSA-N 298.224 1.526 0 50 CDAA CN(C)S(=O)(=O)c1ccc(CO)c(Br)c1 1535421247 CABDRUJJPPRHOS-UHFFFAOYSA-N 294.170 1.192 0 50 CDAA CC(C)[C@@H]1CC[C@]2(C)[C@@H]([C@H]1O)[C@@](C)(O)CC[C@H]2O 96023729 SFPWDWLORNWKSK-DEPYFDJDSA-N 256.386 1.942 0 50 CDAA biogenic,in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](C(=O)O)C2 82170042 LYLRTOVRNNYTRC-SNVBAGLBSA-N 285.340 1.877 0 50 CDAA in-vitro Cc1ccncc1CC(=O)N1CC[C@H](N2CCCC2)C1 668008762 CILGYZVRKNSCAI-HNNXBMFYSA-N 273.380 1.629 0 50 CDAA Cc1ccc(C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)o1 276687659 OGEDYPZCRKGFSV-GFCCVEGCSA-N 288.351 1.450 0 50 CDAA O=C(C1=CCCCO1)N1CCc2ccccc2[C@H]1CO 170084115 OUOLNKYCSBBLQE-CQSZACIVSA-N 273.332 1.799 0 50 CDAA Cc1c(CCN2C(=O)N[C@@H](CC(C)C)C2=O)cnn1C 170592602 KKRHKYZAPLHQOO-LBPRGKRZSA-N 278.356 1.238 0 50 CDAA CC(C)n1cc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)cn1 583622850 YLTIDWLPDDCMPH-ARFHVFGLSA-N 293.411 1.826 0 50 CDAA CC[C@H]1CN(C)CCN1C(=O)Cc1ccc(C)nc1 585085978 CPOFRVQCRDTKIW-AWEZNQCLSA-N 261.369 1.485 0 50 CDAA C[C@H](CC(=O)N1CCOC[C@@H]1CO)Cc1cccc(F)c1 585127598 FANQNIMLQKARLB-WFASDCNBSA-N 295.354 1.614 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NCC2CS(=O)(=O)C2)CC(C)(C)C1 585130310 MSWULFWYCBIGQA-ZYHUDNBSSA-N 287.425 1.610 0 50 CDAA CN1CCCN(Cc2ccc3c(c2)CCO3)CC1=O 191669694 QUPZHQHYJREYDE-UHFFFAOYSA-N 260.337 1.286 0 50 CDAA CC(C)[C@@H](CNC(=O)c1cncnc1N)c1cccnc1 192363323 JTKZJGNUXLJKJW-GFCCVEGCSA-N 285.351 1.623 0 50 CDAA CC[C@@](C)(CC(=O)O)NC(=O)c1ccc2n[nH]cc2c1 753913272 QHVMVKXXMIOGLC-AWEZNQCLSA-N 275.308 1.936 0 50 CDAA CN1CC[C@@]2(CCN(C(=O)c3ccc4nccnc4n3)C2)C1 566612450 OGAAHYDMLQWTCZ-MRXNPFEDSA-N 297.362 1.193 0 50 CDAA CN1CCC[C@@H](N[C@@H]2CCCc3c(O)cccc32)C1=O 569777439 DSQDODDCQJCUAM-ZIAGYGMSSA-N 274.364 1.980 0 50 CDAA O[C@H](c1ncc[nH]1)C1CCN(c2cnccn2)CC1 795167352 UUOWAUUEPUOUND-LBPRGKRZSA-N 259.313 1.150 0 50 CDAA Cc1nnc(N(C)Cc2nncn2C)c2ccccc12 1506400669 BUTXWENDSICZMQ-UHFFFAOYSA-N 268.324 1.703 0 50 CDAA C=CC(=O)NC1(c2ncc(Br)cn2)CCC1 1120553540 DEABGXKAPITJKM-UHFFFAOYSA-N 282.141 1.921 0 50 CDAA COC[C@@H]1CN(C(=O)c2ncoc2C2CC2)CCO1 328840035 OQGHAJTWAXQXMU-JTQLQIEISA-N 266.297 1.039 0 50 CDAA CCCC(=O)N1CCC(N2C[C@H]3C[C@@H](O)C[C@H]3C2)CC1 1800411197 HYIITJKMTUDKOX-AGGWBTHJSA-N 280.412 1.480 0 50 CDAA CC(C)c1cncnc1NS(=O)(=O)c1cncc(F)c1 1875279995 OKCJVBILPRICMI-UHFFFAOYSA-N 296.327 1.935 0 50 CDAA CCC(CC)(CNC(=O)c1oc(C)nc1C)C(=O)O 137636822 GSQCNGJARLGMKA-UHFFFAOYSA-N 268.313 1.912 0 50 CDAA Cc1n[nH]c(SCC(=O)NC2CCCCC2)nc1=O 18220070 DWPVGCGUKCGORB-UHFFFAOYSA-N 282.369 1.014 0 50 CDAA CCC[C@H](Nc1nccc(N(C)CC)n1)C(=O)O 1704308153 GFBATPVCOARNOR-VIFPVBQESA-N 252.318 1.598 0 50 CDAA CCCc1nc(C)cc(N[C@H]2CCN(C(C)=O)C[C@@H]2O)n1 1565511277 HYRNNCAAXKPWCY-STQMWFEESA-N 292.383 1.131 0 50 CDAA CC(C)Cc1nsc(N2CCN(C)[C@]3(CCOC3)C2)n1 1615590476 KTWJTVQWAKDKQR-CQSZACIVSA-N 296.440 1.648 0 50 CDAA O=C(c1cc(Cl)ccc1F)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772700692 DBXCLUMHZUUFJZ-PHIMTYICSA-N 299.729 1.152 0 50 CDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 5059913 ADORIPGIBUBNAI-UHFFFAOYSA-N 257.311 1.380 0 50 CDAA CCn1c(C)cc(C(=O)CN2CCOCC2)c1C 16624426 MDKNBOXUROSNRW-UHFFFAOYSA-N 250.342 1.640 0 50 CDAA CCn1cnnc1CN(C)Cc1c(C)nc2ccccn12 19812303 ZGBNRCQGESINJJ-UHFFFAOYSA-N 284.367 1.886 0 50 CDAA O=S(=O)(Nc1ccccn1)c1ccc2c(c1)OCCO2 5174157 LRACHUIAJOLOFR-UHFFFAOYSA-N 292.316 1.654 0 50 CDAA COC[C@H](C)NC(=O)c1cc2ccccc2oc1=O 2883331 DILUTDBSTLSDKC-VIFPVBQESA-N 261.277 1.558 0 50 CDAA Cn1nnnc1SCCC(=O)Nc1ccc(F)cc1 6526038 UXBRQDFVVDEUAK-UHFFFAOYSA-N 281.316 1.470 0 50 CDAA O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1 1995245 HEWDOWUUTBCVJP-UHFFFAOYSA-N 288.302 1.333 0 50 CDAA in-vitro CC(=O)N1CCC(C(=O)Nc2cccc(C)n2)CC1 6715564 DJYFKHWOXOBKTK-UHFFFAOYSA-N 261.325 1.587 0 50 CDAA O=C(CS(=O)(=O)c1ccccc1)NCc1ccco1 4436642 KYIJWDCTOBFYQF-UHFFFAOYSA-N 279.317 1.370 0 50 CDAA C[C@@H]1CN2C[C@H](N=c3[nH]c4ccccc4s3)C[C@H]2CO1 1857717985 JFTOWWBJBMWRFG-UTUOFQBUSA-N 289.404 1.992 0 50 CDAA O=C(NCCn1cc(Cl)cn1)[C@H]1CCn2nccc2C1 1857731773 OQTAKJOMGLSJPN-JTQLQIEISA-N 293.758 1.112 0 50 CDAA CCN1CCN(C(=O)[C@@H]2CCCCO2)C[C@@H]1c1ncc[nH]1 328640580 XMYSCDVVPYADAC-OLZOCXBDSA-N 292.383 1.184 0 50 CDAA C[C@H](C(=O)N1CCC[C@H]1CO)N1CCc2ccccc2C1 125148165 IUOAYNGQMAJONP-CJNGLKHVSA-N 288.391 1.417 0 50 CDAA NC(=O)[C@]1(c2ccccc2)CCN(Cc2cscn2)C1 585087177 MIGKEINSDSQHBQ-OAHLLOKOSA-N 287.388 1.772 0 50 CDAA Cn1cncc1[C@@H](CO)NC(=O)Cc1ccc(Cl)cc1 585131187 NYPBPLXLECNOLP-GFCCVEGCSA-N 293.754 1.466 0 50 CDAA CCC1(O)CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 266110897 HOPRIGSKJMDGOW-UHFFFAOYSA-N 289.335 1.233 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CCn2ccnc2)c2ccccc21 388715312 YZYXOTGNLXGRTR-CYBMUJFWSA-N 299.330 1.878 0 50 CDAA CCn1cnc(CN[C@@H]2CCO[C@H]2c2nccn2CC)c1 902652975 ZTZUHWUVMVJYSI-ZIAGYGMSSA-N 289.383 1.739 0 50 CDAA Cc1cn(C)nc1CN1CC2(CCNCC2)C[C@@H]1C 903765064 XSVXQNFAVQVHAC-ZDUSSCGKSA-N 262.401 1.693 0 50 CDAA COc1cnc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)nc1 905063219 WFLMAVVNPRVRQT-MNOVXSKESA-N 263.297 1.239 0 50 CDAA Cc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)cc1 1704313044 KWZFPTSNOSZEDZ-ZFWWWQNUSA-N 274.364 1.398 0 50 CDAA CCCC[C@@H](NC(=O)c1nnc(CC)s1)C(=O)OC 907381486 YHVAXRXFSGXJMA-MRVPVSSYSA-N 285.369 1.562 0 50 CDAA Cc1cscc1C(=O)N1C[C@H](C(=O)O)CC[C@H]1C(=O)O 910191722 KZGIBKANNBSALK-SCZZXKLOSA-N 297.332 1.447 0 50 CDAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)Cc1ccco1 910207014 YKSDTAPYCMBGDI-CYBMUJFWSA-N 275.260 1.626 0 50 CDAA C=CC(=O)N(C)CC(=O)NCCc1cccc(C)c1 858983757 OZCQKCJRPHYKHQ-UHFFFAOYSA-N 260.337 1.298 0 50 CDAA CNC[C@@H]1CCCN1C(=O)COc1ccc(C)cc1 237088028 RHSHVQHBFZVNFO-ZDUSSCGKSA-N 262.353 1.584 0 50 CDAA C[C@@H](C(=O)O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 265247749 NKKBWZGYEUOBHQ-AAEUAGOBSA-N 276.336 1.587 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(c2cccc(C(F)(F)F)n2)C1 284567282 NXCBUDSIGRKQAA-DTWKUNHWSA-N 276.258 1.686 0 50 CDAA C[C@]1(C(=O)O)CCCCN1CCCn1cccn1 534631756 UXAWGRONGPULEL-CYBMUJFWSA-N 251.330 1.602 0 50 CDAA CO[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CC[C@H]2NC3)C1(C)C 333539836 KVTXSQURCZYZCV-NZEXEKPDSA-N 266.385 1.304 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1occc1C 643849101 SQNFUZWKKQSRSL-ZDUSSCGKSA-N 267.281 1.294 0 50 CDAA Cc1nc([C@@H](C)Nc2nnc(C(C)(C)C)o2)n[nH]1 91914788 KUPRKENCDLWEON-ZCFIWIBFSA-N 250.306 1.967 0 50 CDAA O=C(O)[C@@H](CNc1ncc(F)cn1)C1CCOCC1 863734578 HYTPUMYPEAKBRX-JTQLQIEISA-N 269.276 1.155 0 50 CDAA Cc1ccc2sc(NCCn3cnnn3)nc2c1 1307155752 SWZZDSYFZHPKPL-UHFFFAOYSA-N 260.326 1.703 0 50 CDAA COc1ccc(CO)cc1-c1ccc(=O)n(CCO)c1 2325773441 ZAFJOTDFPUAYQW-UHFFFAOYSA-N 275.304 1.009 0 50 CDAA Nc1ccc(I)cc1C(=O)O 32335 GOLGILSVWFKZRQ-UHFFFAOYSA-N 263.034 1.572 0 50 CDAA in-vitro CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1F 83176 SPQKQBJHCXEHIP-LLVKDONJSA-N 279.340 1.365 0 50 CDAA O=C(NS(=O)(=O)c1cccs1)c1ccccc1 172858 KEGAPSWTDJXGFU-UHFFFAOYSA-N 267.331 1.867 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H](C)O1 267640 HKQGEMDQGNFTOW-NXEZZACHSA-N 263.293 1.665 0 50 CDAA CCC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 313453 JDEPCGBGWGSUAO-NSHDSACASA-N 287.241 1.944 0 50 CDAA CN(Cc1ccccc1)c1cnc(S(C)(=O)=O)nc1 406420 LKMKVJTVFFKGFV-UHFFFAOYSA-N 277.349 1.517 0 50 CDAA Cc1n[nH]c(C)c1-c1cnc2c(N3CC[C@H](O)C3)nccn12 2356155829 ODDXNIINZNCQGW-NSHDSACASA-N 298.350 1.307 0 50 CDAA COC1(C(=O)N[C@H]2[C@@H]3c4ccccc4C[C@H]32)CCNCC1 246178660 CAWAXKLYZXLLMC-RBSFLKMASA-N 286.375 1.210 0 50 CDAA O=C1CCCc2[nH]c(=O)c(C(=O)NCc3ccccc3)cc21 10339444 PHBNQSLPYIMACK-UHFFFAOYSA-N 296.326 1.824 0 50 CDAA COCc1n[nH]c(N)c1-c1ccc(OC)c(OC)c1 8701290 JWXWXIJPLKQQKA-UHFFFAOYSA-N 263.297 1.823 0 50 CDAA CCn1cc(C(=O)N(C)Cc2snnc2C)c(C)n1 65365996 NCZGGCVQROIBDY-UHFFFAOYSA-N 279.369 1.644 0 50 CDAA CCCc1cc(C(=O)NCC[C@H]2CN(C)CCO2)ccn1 67655055 FSAOXRQXRSVAAV-HNNXBMFYSA-N 291.395 1.485 0 50 CDAA CC(=O)N[C@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O 114681421 KHKMVRUWPPZUMF-LLVKDONJSA-N 280.711 1.953 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cc(O)nc(C(C)C)c2)C1 422765621 KUUGDNXFDYDQLK-LBPRGKRZSA-N 277.368 1.735 0 50 CDAA O=C(Cn1ncccc1=O)Nc1ccnn1C1CCCC1 331657017 VOHUFJJTJXMFPM-UHFFFAOYSA-N 287.323 1.194 0 50 CDAA CSCC[C@H](CO)NC(=O)CCc1c(C)noc1C 119311626 CRRDKWLRMKWPCI-LLVKDONJSA-N 286.397 1.454 0 50 CDAA CN(CCN1CCCC1)c1ncc(C(=O)O)cc1Cl 63054161 CGEJAADVCCJKBN-UHFFFAOYSA-N 283.759 1.965 0 50 CDAA Cc1cccn2c(CN3CCC[C@@H]3C(=O)NC3CC3)cnc12 121484883 BKNVDWUTCKSPMJ-OAHLLOKOSA-N 298.390 1.886 0 50 CDAA CC(C)c1cc(C(=O)N(C)[C@H]2CCCCNC2=O)no1 121626930 DAILIXWKCGPJFA-NSHDSACASA-N 279.340 1.539 0 50 CDAA CCc1nn(C)c(Cl)c1CN1CCCC[C@H]1C(=O)NC 179333701 AAAFUKURXRFWGR-LBPRGKRZSA-N 298.818 1.736 0 50 CDAA C[C@@H]1C(=O)NCCN1c1nc(Cl)nc2sccc12 235719384 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1.445 0 50 CDAA COCCn1cncc1CN(C)Cc1cc(C)on1 1506395879 OSZXGQKBTWLXJQ-UHFFFAOYSA-N 264.329 1.458 0 50 CDAA CCc1nccn1C[C@H](C)N[C@H]1CC[C@H](O)CC1 1506396898 ONUSJHJZNLICPZ-AVGNSLFASA-N 251.374 1.727 0 50 CDAA Cc1n[nH]c(C)c1C(=O)C[C@]1(O)C(=O)N(C)c2ccccc21 565336 UMRWBLFZYACCLN-MRXNPFEDSA-N 299.330 1.464 0 50 CDAA O=C(NC[C@H]1CC1(F)F)c1cnc(C2CC2)nc1 1857684346 KEYWSAKQZQQFMF-SECBINFHSA-N 253.252 1.739 0 50 CDAA CC(C)CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 610995 HKCQMOFSJIGSPD-UHFFFAOYSA-N 298.408 1.858 0 50 CDAA O=C(CN1CCOC1=O)Nc1nc2c(F)cccc2s1 1529173891 RJCZYRHMMPGHRH-UHFFFAOYSA-N 295.295 1.826 0 50 CDAA CSc1ncc2c(O)c3c(nc2n1)N(C)CCC3 206916 BVFRASHCKXDNHZ-UHFFFAOYSA-N 262.338 1.835 0 50 CDAA CN(c1nc(CN2CCC(N)CC2)cs1)C1CC1 662241676 VJUYXVWTIGRDBX-UHFFFAOYSA-N 266.414 1.665 0 50 CDAA O=C(Cn1cccn1)NC1(c2nccs2)CCCC1 116103042 BMBXVPWKFFRCOA-UHFFFAOYSA-N 276.365 1.925 0 50 CDAA CO[C@@H]1C[C@H](Nc2ncnc(N)c2Cl)C1(C)C 234887386 NLNBULMFAUGLPD-NKWVEPMBSA-N 256.737 1.938 0 50 CDAA CS(=O)(=O)C1CN(C(=O)c2cc3c(F)cccc3[nH]2)C1 334740996 XWZMODFMRIJWPB-UHFFFAOYSA-N 296.323 1.176 0 50 CDAA O=C(Oc1nsnc1N1CCCCC1)N1CCOCC1 795230 XAWUWPUYJUOUOF-UHFFFAOYSA-N 298.368 1.359 0 50 CDAA CC1(CNC(=O)[C@H]2C[C@@H]3[C@@H](N)C[C@H]3C2)CC(F)(F)C1 1615001522 SRLRCDWLEBCSAX-ZNSHCXBVSA-N 272.339 1.911 0 50 CDAA O=C(Cn1ccnc1C1(O)CCCC1)NCc1ccco1 1615588168 OWGCHRGRRZGMCB-UHFFFAOYSA-N 289.335 1.554 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3CC[C@@]3(N)C2)oc1Br 1615545756 IPTSMPQJQFGGJW-QPUJVOFHSA-N 299.168 1.914 0 50 CDAA Cc1cc(NCCS(C)(=O)=O)c2c(C)noc2n1 1615571371 HYMROGUVNGCSSF-UHFFFAOYSA-N 269.326 1.296 0 50 CDAA Cc1ncc(C(=O)NC[C@H]2Cc3ccccc3CN2)n1C 1615545191 FUOLEWKATULROB-CQSZACIVSA-N 284.363 1.173 0 50 CDAA CN1C[C@@]2(CCCN(c3ncnc4cc[nH]c34)C2)OC1=O 1772807551 OXAIDJKGCIDKLU-CQSZACIVSA-N 287.323 1.379 0 50 CDAA CO[C@@H]1O[C@H]2COC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]21 5500072 HKUZYSYUFMRRNR-HPENLJRUSA-N 274.313 1.029 0 50 CDAA CN(CCO)C(=O)c1cn(Cc2ccccc2Cl)nn1 12706335 VYPLMJMGFCYWAL-UHFFFAOYSA-N 294.742 1.044 0 50 CDAA Cc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1C 13133587 ZJOSQKORXZZKGW-UHFFFAOYSA-N 284.363 1.713 0 50 CDAA COCCc1nc(CNC(=O)c2ccc(F)cc2F)no1 19850253 SGWKQNCMAIKSJF-UHFFFAOYSA-N 297.261 1.467 0 50 CDAA COc1ccc(CNC(=O)C(=O)NC2CCCC2)cc1 2966990 IAHSIEROSHOIFG-UHFFFAOYSA-N 276.336 1.370 0 50 CDAA Cc1cccc(Cl)c1OCCOCCNCCO 2974963 PQMSRKYMYQJNML-UHFFFAOYSA-N 273.760 1.626 0 50 CDAA Cc1ccccc1[C@@H]1CC(=O)Nc2nc(N)[nH]c(=O)c21 4944772 KIJBCIDRLJLLNR-VIFPVBQESA-N 270.292 1.135 0 50 CDAA CC(C)(CN1C[C@@H]2CCOC[C@]2(CO)C1)N1CCCCC1 1857669621 UMRHISSLCWPHAJ-DOTOQJQBSA-N 296.455 1.582 0 50 CDAA C[C@@H](c1cccnc1)N(C)C(=O)c1ccn2ncnc2c1 1857713478 KZNXWTOKWKOLDY-NSHDSACASA-N 281.319 1.958 0 50 CDAA CCc1cc(CN(C)C(=O)[C@H]2CCc3ncnn3C2)on1 1857728845 OLKXZHGMANLRFT-JTQLQIEISA-N 289.339 1.050 0 50 CDAA Cc1cccc(-c2nc(NC(=O)c3cnccn3)n[nH]2)c1 1875243547 LNQZYGKAYUPVJS-UHFFFAOYSA-N 280.291 1.822 0 50 CDAA O=C(Nc1nc(-c2ccccc2F)n[nH]1)C1CCOCC1 109626066 UIYDOBCXKYGISU-UHFFFAOYSA-N 290.298 1.976 0 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278.352 1.385 0 50 CDAA O=C(C1Cc2ccccc2C1)N1CCC[C@@H]1C1(O)CC1 1772810367 LAEVROWZEKPXDO-OAHLLOKOSA-N 271.360 1.917 0 50 CDAA Clc1nccn2ncc(I)c12 1857778996 ZSNIYFBYEWFTKA-UHFFFAOYSA-N 279.468 1.987 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCCc2sccc2C1 225482803 VVMGFHYCVPUMOV-NXEZZACHSA-N 265.334 1.744 0 50 CDAA COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)O)ccc1F 127540990 YQVTXGXLZQQLOI-GXSJLCMTSA-N 281.283 1.817 0 50 CDAA COc1ccc(F)cc1CNC1CCN(C(C)=O)CC1 237172004 ZXPWDGJHAOGLAB-UHFFFAOYSA-N 280.343 1.935 0 50 CDAA C[C@H]1COC[C@@H](C)N1C(=O)C[C@@H](C)[C@@H]1CCCNC1 237545722 RXRQCYLJONXAON-YIYPIFLZSA-N 268.401 1.648 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N[C@H](C(=O)O)C(C)C)s1 261561896 GETAGQYVESNBDC-VIFPVBQESA-N 291.394 1.752 0 50 CDAA CC(C)c1nc(C(=O)N2CCOC[C@@H]2C(=O)O)cs1 262478405 KECVOSFQLAKCEU-SECBINFHSA-N 284.337 1.192 0 50 CDAA O=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)NCc1ccoc1 299941075 ISFTVNSRIOJOQY-TUAOUCFPSA-N 278.308 1.674 0 50 CDAA OCC1(O)CCN(c2nc3ccccc3s2)CC1 67560484 QMPYLDGZHVIBMO-UHFFFAOYSA-N 264.350 1.620 0 50 CDAA CCCN1CCN(C[C@H]2CC(CC)=NO2)CC1=O 670461568 PZBYJWVJRAFJKZ-GFCCVEGCSA-N 253.346 1.096 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)c1ccncc1 583614996 KKNUUVHXGDJYLX-NSHDSACASA-N 256.309 1.271 0 50 CDAA CN=c1[nH]c(C(=O)NCCCn2cc(Cl)cn2)cs1 386087287 FDAQFRRTPWPNFU-UHFFFAOYSA-N 299.787 1.277 0 50 CDAA O=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1cccnc1 32607227 XVQBAGMZTZSYOA-UHFFFAOYSA-N 294.318 1.121 0 50 CDAA CC1(C)CCC[C@@H]1NC(=O)[C@H]1CCn2nncc2C1 2325790186 WOCVUVJFPHZPKD-JQWIXIFHSA-N 262.357 1.535 0 50 CDAA Cc1nc(CCNC(=O)C[C@H]2C=C[C@@H](N)C2)sc1C 2325797524 BWMXTIAEQOPFSO-NWDGAFQWSA-N 279.409 1.712 0 50 CDAA Cn1nc2c(c1C(=O)O[C@H]1C(=O)OCC1(C)C)CCCC2 953105869 AJVUCZICUWVIRP-LBPRGKRZSA-N 292.335 1.407 0 50 CDAA CCOc1ccc([C@](C)(CC(=O)O)C(=O)O)cc1 50927 JFEOJYQMZAIMPW-ZDUSSCGKSA-N 252.266 1.902 0 50 CDAA COc1ccc(OC)c(S(=O)(=O)Nc2ccccn2)c1 269991 ZPLMDJXLTAUJHZ-UHFFFAOYSA-N 294.332 1.900 0 50 CDAA Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12 1532301 FUYLLJCBCKRIAL-UHFFFAOYSA-N 256.235 1.283 0 50 CDAA biogenic,in-vitro COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 2243539 QNSPKWUAZQIIGZ-MRVPVSSYSA-N 275.301 1.006 0 50 CDAA O=S(=O)(CCO)c1cccc(C(F)(F)F)c1 2511134 KJRBWTNOMDULTR-UHFFFAOYSA-N 254.229 1.471 0 50 CDAA CCCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O 2869383 XYULKYRCXJWLIS-UHFFFAOYSA-N 298.408 1.017 0 50 CDAA O=C1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CN1 225223459 FZXCKVAZSRVVGH-YNEHKIRRSA-N 292.766 1.838 0 50 CDAA CCCc1cc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)[nH]n1 225470081 OZNWSKZWMMCAAX-YPMHNXCESA-N 290.367 1.245 0 50 CDAA CCOC(=O)CN(Cc1ccccn1)C[C@H]1CCCO1 55385168 AUZQUESWVQDLBN-CQSZACIVSA-N 278.352 1.626 0 50 CDAA COc1ccc(NCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100509642 AQNJZXKWWFHXJM-LWWSYDQCSA-N 298.342 1.872 0 50 CDAA CCn1nc(C)c(CNC(=O)c2c(O)cccc2O)c1C 67649666 OUYGYTNCECSGTJ-UHFFFAOYSA-N 289.335 1.861 0 50 CDAA Cc1ccc([C@@H](CNC(=O)c2cn(C)cn2)N(C)C)cc1 178223155 NZQMCVMLHJHFMM-OAHLLOKOSA-N 286.379 1.761 0 50 CDAA O=C1CC[C@@H](NCC2(CO)CCCC2)CCN1CC1CC1 67964892 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CC(C)c1nnsc1C(=O)N1CCc2nocc2C1 670450947 CJBOLKVLLVPGCK-UHFFFAOYSA-N 278.337 1.848 0 50 CDAA CCn1ncc(CN(C)C(=O)Cn2ccnc2C)c1C 670433950 LIAJESBTEHFDIY-UHFFFAOYSA-N 275.356 1.375 0 50 CDAA Cn1ncnc1CCN[C@H]1CCN(c2ccccc2)C1 584886074 FHDQJEHTXWCIKB-ZDUSSCGKSA-N 271.368 1.226 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCC2(CO)CCC2)n1 670456665 FEHZVUTYOILMNE-LBPRGKRZSA-N 251.374 1.641 0 50 CDAA CCOc1cccc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)c1 1553429127 VMPJKBYIAVMKMS-BBRMVZONSA-N 289.379 1.718 0 50 CDAA O=C(C[C@H]1CCCC(F)(F)C1)NC1(C(=O)O)CC1 1875292111 WYFNENAITSCZBN-MRVPVSSYSA-N 261.268 1.935 0 50 CDAA COc1nc(N(C)C)ccc1NC(=O)N1CCCC1 1875291140 PBVXEURZTZTWFV-UHFFFAOYSA-N 264.329 1.784 0 50 CDAA Nc1ncc(CCC(=O)N2CC[C@@]3(C2)CC3(F)F)s1 876952146 YALJCYRAKGRQLU-NSHDSACASA-N 287.335 1.916 0 50 CDAA NC/C=C/C(=O)NC1(Cc2cccc(F)c2)CCOCC1 1875337740 DPOSWDLFZAALPL-GORDUTHDSA-N 292.354 1.549 0 50 CDAA CN1C(=O)c2cccc(SCC(=O)O)c2C1=O 1875356843 VMEGPALCENXMFS-UHFFFAOYSA-N 251.263 1.089 0 50 CDAA CS(=O)(=O)NC(=O)c1cc(Oc2ccccc2)ccn1 1875391099 DQIKVKZCMINWBF-UHFFFAOYSA-N 292.316 1.563 0 50 CDAA Cc1cc(C(=O)N[C@@H](C(=O)O)C(C)(C)F)c(C)o1 1875306198 XANXIMTVKQSVEX-VIFPVBQESA-N 257.261 1.828 0 50 CDAA CC[C@H](C(=O)N(C)CC(C)(C)CO)n1cccc1 952868473 POFFLFGIWSZALT-GFCCVEGCSA-N 252.358 1.916 0 50 CDAA O=C(O)c1c(N2CCOCC2)noc1-c1ccccc1 950757421 AWCLMCDCNJVRQY-UHFFFAOYSA-N 274.276 1.876 0 50 CDAA CC(=O)N1C[C@H](NC2CCOCC2)CC[C@H]1C(F)(F)F 886035956 VHNGPFKOKFXURP-NEPJUHHUSA-N 294.317 1.697 0 50 CDAA O=C1NCCC[C@H]1C(=O)N[C@@H](c1ccncc1)C1CC1 890904316 LHBDEDWIWDAQCR-CHWSQXEVSA-N 273.336 1.175 0 50 CDAA Cc1cc(O)nc(NCC2([C@H](O)C(C)C)CC2)n1 1337098808 CODGGVISDPTRIJ-LLVKDONJSA-N 251.330 1.700 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)c1n[nH]c2c1CCC2 887525545 OPLGEXXNRBLGJN-UHFFFAOYSA-N 275.352 1.323 0 50 CDAA Cc1ccc(-c2noc(CN3CCCC[C@H](N)C3=O)n2)o1 888078480 VJNBLKVESDAUIT-JTQLQIEISA-N 290.323 1.478 0 50 CDAA CC(=O)NC[C@H]1CN(Cc2c(C)noc2C)CCCO1 888103477 JMFVTMLCHCEKBJ-ZDUSSCGKSA-N 281.356 1.018 0 50 CDAA C=CC(=O)N1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 1336682871 ZCVUQXFJGMNASA-CHWSQXEVSA-N 259.305 1.588 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(CCOC2)[C@@H](C(=O)O)C1 958720173 AIGLESZXGPKCOR-YGRLFVJLSA-N 285.340 1.735 0 50 CDAA Cc1cc([C@H](C)N[C@@H]2CN(C)C[C@H]2c2cncn2C)no1 1775960005 MSEXJXHUDWUEKY-OUCADQQQSA-N 289.383 1.465 0 50 CDAA C[C@@H]1C[C@H](CNc2cc3c(O)ncnc3cn2)CCO1 1775999535 SXIHGNAIAUCLIJ-NXEZZACHSA-N 274.324 1.957 0 50 CDAA O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1cnc2ccccn12 1361557565 AUDZIQYCDRSFKM-JTQLQIEISA-N 291.332 1.221 0 50 CDAA C[C@H]1CN(C(=O)c2cccs2)C[C@]1(O)C1CC1 1565525750 CQEIDSAAJNATNF-TVQRCGJNSA-N 251.351 1.981 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2n[nH]c(C)c2Cl)[C@H]2CCO[C@H]21 1565506845 HJKZNMOGPBSJFZ-WQWPXVFUSA-N 299.758 1.151 0 50 CDAA CC(=O)N(C)Cc1cn(CC[C@H]2CC2(Cl)Cl)nn1 899724761 QDLWYRLXIKNGBU-VIFPVBQESA-N 291.182 1.840 0 50 CDAA COC(C)(C)C[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1O 185535217 AZTWYEWSLWODKO-QJPTWQEYSA-N 272.389 1.793 0 50 CDAA O=C(O)CNC(=O)NCc1cccc2cccnc12 211651207 PVKQNKDHVYIRBZ-UHFFFAOYSA-N 259.265 1.119 0 50 CDAA CN(Cc1ncccn1)[C@H]1CCN(C(=O)c2cc[nH]c2)C1 276030757 RHHGQFSTGQLKCQ-ZDUSSCGKSA-N 285.351 1.151 0 50 CDAA C=CC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 408525920 PLMOBOWZIQZCNY-UHFFFAOYSA-N 294.358 1.978 0 50 CDAA O=C(O)C1CCN(C(=O)c2ccc3nccn3c2)CC1 169931607 LDPPRLYDJDWZCF-UHFFFAOYSA-N 273.292 1.271 0 50 CDAA Cc1sc(NC(=O)CN2C[C@@H](O)C[C@H]2CO)c(C)c1C 186508681 BLKXTTXDDJUFHR-RYUDHWBXSA-N 298.408 1.039 0 50 CDAA O=C(NCc1nnc(S)n1C1CC1)[C@H]1C[C@@H]1C1CC1 170655871 IUCVKKJLYFNLGL-ZJUUUORDSA-N 278.381 1.564 0 50 CDAA Cc1ccc(NC(=O)c2ccnn2C)cc1C(N)=O 171278608 QCDCJAKOLHZKHN-UHFFFAOYSA-N 258.281 1.080 0 50 CDAA CCc1cnc(CC(=O)N2CCCN(C)C[C@H]2CC)[nH]1 635884238 GNDRGMAMPQYOSZ-CYBMUJFWSA-N 278.400 1.457 0 50 CDAA O=C(O)c1coc(CNS(=O)(=O)c2ccoc2)c1 556776129 WQSUZKCYSOIFAQ-UHFFFAOYSA-N 271.250 1.049 0 50 CDAA CC[C@H](C(=O)O)N1CCN(Cc2cccc(C)c2)CC1 191425677 SAKGYDAFBLTSSC-OAHLLOKOSA-N 276.380 1.976 0 50 CDAA Cn1cc([C@@H]2CSCCN2C(=O)c2cccnc2)cn1 192009411 TZWKNRMDXPESCJ-ZDUSSCGKSA-N 288.376 1.745 0 50 CDAA CCO[C@@H]1C[C@H](N(C)Cc2nnn(C)n2)C12CCCCC2 192985705 ULVLLCGIXCFXTP-QWHCGFSZSA-N 293.415 1.770 0 50 CDAA CCCCN(C)c1ccc(C(=O)N[C@H]2CCNC2=O)cc1 585112995 SWBUZAAVJWRISJ-AWEZNQCLSA-N 289.379 1.541 0 50 CDAA CC1(C)CNC(=O)[C@@H]1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585127580 DQNBXWAAPSBWGN-KQXIARHKSA-N 264.369 1.454 0 50 CDAA CN(C)[C@@H]1C[C@@H](NC(=O)c2cccn2C)C12CCC2 585131558 ZJAMOXIKXNHAAF-CHWSQXEVSA-N 261.369 1.628 0 50 CDAA CCN=c1ccc(-c2noc([C@H](C)c3cnn(C)c3)n2)c[nH]1 585120337 IKUFXPOITFFUBC-SNVBAGLBSA-N 298.350 1.871 0 50 CDAA O=C(c1ccc(Cl)cn1)N1CCOC[C@]12CCOC2 194405900 IMUMAMWLOVHMEX-CYBMUJFWSA-N 282.727 1.367 0 50 CDAA Cc1cccc2nc(CN3CC[C@](C)(C(=O)O)C3)cn12 652486395 AIZHIOAZARUKCF-HNNXBMFYSA-N 273.336 1.939 0 50 CDAA O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1cnn[nH]1 569833858 GTDRVKUHCCWVLN-XYPYZODXSA-N 286.339 1.353 0 50 CDAA Cc1noc(C)c1CCC(=O)N1CCC[C@H]2CNC[C@H]21 570835334 BOQWDGFNTFFMII-GXTWGEPZSA-N 277.368 1.434 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCC1CCC(F)(F)CC1 908021057 QLWXHXQHWLCRQQ-UHFFFAOYSA-N 288.338 1.963 0 50 CDAA Cc1nnc([C@H](C)OC(=O)c2cncc(F)c2)o1 759424280 ATKIEEACCUCELC-LURJTMIESA-N 251.217 1.830 0 50 CDAA C[C@@H]1CCCCN1C1CN(CCN2CCCC2=O)C1 1506412740 NQBARRHITUPSCH-CYBMUJFWSA-N 265.401 1.167 0 50 CDAA CCN(C[C@@H]1CCCCO1)c1nc(OC)cc(OC)n1 1506417234 LRYHRBZFIVIDDP-NSHDSACASA-N 281.356 1.889 0 50 CDAA Cn1ccnc1CCN1CCC(O)(c2cccnc2)CC1 1506399681 PLWNYWZYHJVELR-UHFFFAOYSA-N 286.379 1.341 0 50 CDAA CNC(=S)Nc1ncn(Cc2cccc(F)c2)n1 609745 WHAGLCRQUKDSMX-UHFFFAOYSA-N 265.317 1.382 0 50 CDAA Nc1ccncc1C(=O)N1CCOc2ccccc2C1 212179339 YTRILDYEVBPILM-UHFFFAOYSA-N 269.304 1.699 0 50 CDAA COC(=O)[C@]12CCO[C@@H]1CN(Cc1ccccc1)C2 1875337178 PRBRMGFBZIXOSR-HIFRSBDPSA-N 261.321 1.451 0 50 CDAA COC(OC)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 585131614 AMKPGLVKHUKPGB-OAHLLOKOSA-N 279.336 1.380 0 50 CDAA Fc1nccc(CN2CCO[C@]3(CCOC3)C2)c1F 1615414882 XXNJKYDUTCFIBL-CYBMUJFWSA-N 270.279 1.351 0 50 CDAA COc1ccc(CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)c(F)c1 1772811959 CNCTUGMLMPEOAC-RISCZKNCSA-N 292.354 1.744 0 50 CDAA CC(C)N1C[C@@H](CN2CCCN(C)CC2)CCC1=O 1772808269 KWLFGQMHRQTLNZ-CQSZACIVSA-N 267.417 1.271 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1ccn(C(F)F)n1 1772815053 HSACODKJNGJDJQ-UHFFFAOYSA-N 292.249 1.480 0 50 CDAA Cc1nn2ncccc2c1C(=O)N1C[C@H]2C[C@@]2(C)C1 1772816210 IRVRRRILZYJNJS-YGRLFVJLSA-N 256.309 1.520 0 50 CDAA CC[C@@H](C(=O)NC1CC1)N(c1ccccc1)S(C)(=O)=O 13711289 DFLHHEAOFWHUQO-ZDUSSCGKSA-N 296.392 1.510 0 50 CDAA Ic1cn(-c2ccccc2)nn1 167668256 NEFAQUVHKDSMCE-UHFFFAOYSA-N 271.061 1.872 0 50 CDAA CCc1ccc(NC(=O)C(=O)NCCCOC)cc1 4702344 DKQKNTIRPXQLDD-UHFFFAOYSA-N 264.325 1.340 0 50 CDAA Ic1cncc(OC[C@@H]2CCN2)c1 3829025 RKVRGRXOYDTUEY-QMMMGPOBSA-N 290.104 1.427 0 50 CDAA in-vitro Cc1ccc(CNC(=O)C(=O)NCc2ccncc2)cc1 2966139 ZHDFECSAKDHVCT-UHFFFAOYSA-N 283.331 1.323 0 50 CDAA Cc1ccc2nc[nH]c(=NCc3n[nH]c4c3CCC4)c2n1 1857678830 BECXBSJWQOPXCX-UHFFFAOYSA-N 280.335 1.579 0 50 CDAA COc1ccnc(C(=O)NCc2nc3ncccc3o2)c1 1857680258 JLLHPKFZIQALPZ-UHFFFAOYSA-N 284.275 1.556 0 50 CDAA CCCCn1nc(CC(N)=O)nc1-c1cnc(C)cc1C 1857728219 RZNDREUAPBDWHQ-UHFFFAOYSA-N 287.367 1.785 0 50 CDAA CCC[C@]1(CO)CCN(Cc2[nH]c(CC)nc2C)C[C@@H]1O 1875243556 MBNWQGFQSGFBHJ-GOEBONIOSA-N 295.427 1.626 0 50 CDAA Cc1cccc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n1 408473418 BYLRPGBHTKIPFR-DZGCQCFKSA-N 289.379 1.497 0 50 CDAA O=C(NC1(C(F)F)CCCC1)c1ccn2nnnc2c1 614948423 LJYSAEOIDANAKT-UHFFFAOYSA-N 281.266 1.432 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(Cc2c(F)cccc2F)C1 521394147 BVSCAQWWNKZZTC-CQSZACIVSA-N 294.305 1.193 0 50 CDAA Cc1ccc([C@H]2CCCN2C(=O)CCc2nn[nH]n2)cc1 630682041 NEHWONLAGNTCTN-CYBMUJFWSA-N 285.351 1.804 0 50 CDAA C[C@H](CN(C)C(=O)c1cc(C2CC2)[nH]n1)C(=O)O 237576405 ZNQAHECGNIKZBA-SSDOTTSWSA-N 251.286 1.080 0 50 CDAA Cc1noc(C2CCN(C(=O)c3cn(C)nc3C)CC2)n1 363667517 WXMKUZXYPZLBFU-UHFFFAOYSA-N 289.339 1.440 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCO2 262097858 IREWMEQXJUFADZ-LLVKDONJSA-N 291.303 1.424 0 50 CDAA Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)ccc1-n1cccn1 263208456 NEYPWSSHFHAYSA-BETUJISGSA-N 299.330 1.774 0 50 CDAA Cc1ncc(CNC(=O)N[C@H](C)c2cnn(C)c2)s1 266540018 LYDNHFAXSQTVLS-MRVPVSSYSA-N 279.369 1.745 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1cnn(C)c1 267407137 JXAZJKZTLUZMTK-UKRRQHHQSA-N 279.384 1.530 0 50 CDAA c1ccc(-n2cnc(CN[C@H]3CCNC34CCC4)n2)cc1 903470719 CEBOXNIDYTVZKT-AWEZNQCLSA-N 283.379 1.642 0 50 CDAA COCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8041331 YLOGTQFETKBLSY-LBPRGKRZSA-N 251.326 1.833 0 50 CDAA COc1nc(NC(=O)c2cc3ccccc3o2)n[nH]1 126775285 MVPKNBVLXLOCEQ-UHFFFAOYSA-N 258.237 1.812 0 50 CDAA C[C@@H]1CC[C@H](CN(C)CC(=O)N2CCOCC2)C1 252572365 ZDBNPPBJKKVINT-OLZOCXBDSA-N 254.374 1.213 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c23)C1 261693512 ISAMZXGQKDKWRP-SNVBAGLBSA-N 273.292 1.500 0 50 CDAA NCc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 261691827 HRETXMWVWMSBMI-GFCCVEGCSA-N 288.269 1.285 0 50 CDAA C[C@H](C(=O)O)N(C(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)C1CC1 262178813 PUUIMGXOYRABKK-YBKHTPMHSA-N 263.337 1.743 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@H]1C=C[C@H](C(=O)O)C1 277251591 LXNWMLUTGHSGGH-RYUDHWBXSA-N 295.360 1.557 0 50 CDAA Cc1ccccc1NC(=O)NCCCn1cnnc1 299778702 KKPVIXSDGLFCCJ-UHFFFAOYSA-N 259.313 1.798 0 50 CDAA Cc1ccccc1SCC(=O)N1CCC[C@@](O)(CO)C1 72154123 YURUKUMLUJLWAP-HNNXBMFYSA-N 295.404 1.433 0 50 CDAA C[C@H](OCc1ccccc1)C(=O)N1CC[C@H](N)C[C@H]1C 404484269 VMSUJJNGGKWMTC-IPYPFGDCSA-N 276.380 1.930 0 50 CDAA Cc1nsc2ncn(Cc3ccc(CO)cc3)c(=O)c12 312154434 LSGDOGQSQHZZJS-UHFFFAOYSA-N 287.344 1.702 0 50 CDAA CN(Cc1nc2ccccc2s1)C(=O)[C@H]1C=CCN1 534584469 BYXNIWHWOFAHKB-LLVKDONJSA-N 273.361 1.783 0 50 CDAA O=C(N[C@@H]1CCN(CC2CCCC2)C1)[C@H]1CCCOC1 110631312 YZJRSFOBPNVZRI-LSDHHAIUSA-N 280.412 1.794 0 50 CDAA Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 1426122 ZMCLPJVAFUAXIF-HNNXBMFYSA-N 282.343 1.821 0 50 CDAA CN1C[C@H](c2nnc3n2-c2ccccc2CC3)CC1=O 2100556525 DPFKVRIFXLDNLD-LLVKDONJSA-N 268.320 1.312 0 50 CDAA C[C@@H](C[C@H](O)c1ccco1)NC(=O)[C@H]1C[C@H](N(C)C)C1 2325784694 DAQWAFBXMLVCKE-CYDGBPFRSA-N 280.368 1.548 0 50 CDAA Cc1nc(CNc2cnccc2-n2ccnn2)co1 2325823197 JKKPLMRBGVCVRY-UHFFFAOYSA-N 256.269 1.571 0 50 CDAA NS(=O)(=O)Cc1cccc(-c2cnn3cccnc23)c1 2325872163 KQPMBYGDOKDKGU-UHFFFAOYSA-N 288.332 1.185 0 50 CDAA COc1cc2c(cc1OC)[C@H](C)N(CC(=O)O)CC2 242165 KRQQVLGHOQSFPK-VIFPVBQESA-N 265.309 1.708 0 50 CDAA biogenic COCC(=O)Nc1sc(C)c(C)c1C(=O)OC 1917327 OXFJSNADFUDFOF-UHFFFAOYSA-N 257.311 1.736 0 50 CDAA O=S1(=O)CCC=C1S(=O)(=O)c1ccccc1 2461448 OADHEPVVPKUQHV-UHFFFAOYSA-N 258.320 1.120 0 50 CDAA Cc1c(C)c2ccc(OS(C)(=O)=O)cc2oc1=O 2994534 FOFLTCHJLCTGDM-UHFFFAOYSA-N 268.290 1.748 0 50 CDAA COc1cc([C@@H]2NCCc3[nH]cnc32)cc(OC)c1OC 3182917 VYKDKBZUOBCVTK-ZDUSSCGKSA-N 289.335 1.671 0 50 CDAA biogenic C[C@@H]1NC(=O)N(C)[C@@H]2NC(=O)N(C)[C@H](c3ccccc3)[C@H]12 4029423 MPIISNQCEKKBQG-SYEHKZFSSA-N 288.351 1.369 0 50 CDAA COc1ccccc1N1CCN(C2CCN(C)CC2)CC1 4981280 HWHMLQYBEPTOHT-UHFFFAOYSA-N 289.423 1.911 0 50 CDAA CC[C@@H](C)NC(=O)[C@H]1CC(c2cnn(CC)c2C)=NO1 6804883 MOBSDSWSVSGDGC-NOZJJQNGSA-N 278.356 1.619 0 50 CDAA CCc1ccccc1CC(=O)NC1CCN(C(N)=O)CC1 225497179 BKMZGXIOGZGOCI-UHFFFAOYSA-N 289.379 1.451 0 50 CDAA CONC(=O)C(=O)Nc1ccc(F)c(Br)c1 134754140 GCQVHQLRVJIDGR-UHFFFAOYSA-N 291.076 1.204 0 50 CDAA C[C@@H](C(=O)N(C)CCc1ccccc1O)c1ccnn1C 421799393 DZSRERSBWVPPIQ-GFCCVEGCSA-N 287.363 1.930 0 50 CDAA c1ccc(N2CCN([C@@H]3CN4CCC3CC4)CC2)cc1 22454660 YSSWNPOYPNFUGE-QGZVFWFLSA-N 271.408 1.903 0 50 CDAA C[C@H](NC(=O)C[C@@H]1CCCN1)[C@@H](O)Cc1ccccc1 423905848 PQTFSSJJGCRIHW-QEJZJMRPSA-N 276.380 1.237 0 50 CDAA Cc1nc(C(=O)NCCCN2CCC[C@@H](CO)C2)cs1 20232514 QCMFRIMIEWEPNT-GFCCVEGCSA-N 297.424 1.276 0 50 CDAA COC[C@@]1(C)NC(=O)N(C[C@H]2CCCC2(F)F)C1=O 332654314 NAYRJWYEBYQLSB-LDYMZIIASA-N 276.283 1.379 0 50 CDAA C[C@@H]1OCC[C@@H]1N(CCO)CCSC(C)(C)C 252493990 NIAQGSIKTZYRIL-RYUDHWBXSA-N 261.431 1.990 0 50 CDAA CNC(=O)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 252488886 JBFDPOQOZBUJPB-UHFFFAOYSA-N 297.380 1.659 0 50 CDAA O=C(N[C@H]1CCNC1)c1csc(-c2ccoc2)n1 127904431 ONLFPPSRXLZEMT-VIFPVBQESA-N 263.322 1.495 0 50 CDAA Cc1ccc(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)s1 328616650 BYBJFHUITUXHMB-NSHDSACASA-N 290.392 1.909 0 50 CDAA CC[C@H](C(=O)NC)N(c1ccccc1F)S(C)(=O)=O 67601795 ILIDSDDSPCMSDS-SNVBAGLBSA-N 288.344 1.116 0 50 CDAA CCc1cc(N2CCn3c(nnc3C3CC3)C2)nc(C)n1 329425609 FWROUMZLBQLYBT-UHFFFAOYSA-N 284.367 1.837 0 50 CDAA OC[C@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@H]1O 72137291 YHIGVBMIHLXLSA-UKRRQHHQSA-N 260.337 1.343 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CO2 39325891 XDSCHYPLQWGQRC-UHFFFAOYSA-N 255.314 1.746 0 50 CDAA in-vitro Cc1[nH]c(C=O)cc1C(=O)NC1CCN(C(C)C)CC1 253406194 WONKJIISQAURGG-UHFFFAOYSA-N 277.368 1.738 0 50 CDAA O=C(O)C[C@@H]1CCN(Cc2cccc(OCCO)c2)C1 215134878 LXZKKWQYJUELCC-ZDUSSCGKSA-N 279.336 1.354 0 50 CDAA CNCC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 237189657 PMKXMFUOHTVHBL-CYBMUJFWSA-N 250.317 1.579 0 50 CDAA Cc1nc([C@@H](C)N2CCN(Cc3ccco3)CC2)n[nH]1 332086248 GSDKCLDPJDMUIT-LLVKDONJSA-N 275.356 1.585 0 50 CDAA C[C@H]1CN(C(=O)CCCOc2cccnc2)C[C@@H](C)N1 154129684 IICQRMOZPNSBFU-BETUJISGSA-N 277.368 1.449 0 50 CDAA COC(=O)c1sc(NC(=O)C2(N)CC2)nc1C(C)(C)C 237273582 AMBSSLIOWJDTNY-UHFFFAOYSA-N 297.380 1.657 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CN)C(=O)OC(C)(C)C 34456714 OLMUCDWKBWSQKO-QMMMGPOBSA-N 260.334 1.180 0 50 CDAA COc1ccc(S(=O)(=O)N2CCN(C)CC2)c(C)c1C 36338863 IYWBRELUFSAVQN-UHFFFAOYSA-N 298.408 1.248 0 50 CDAA C[C@H]1CCc2ccccc2N1CCC(=O)NCC(=O)O 237569525 PFOJZIRMQSMYPK-NSHDSACASA-N 276.336 1.419 0 50 CDAA Cn1cc([C@@H]2OCC[C@H]2CNC(=O)C2[C@H]3CCC[C@H]23)cn1 334004893 SYKMCUDRMFRTGX-GZCFXPHUSA-N 289.379 1.660 0 50 CDAA CCN1C[C@@H](NCc2ccc(-n3cncn3)c(C)c2)CC1=O 449516141 DVUIYMJNPRHHBA-AWEZNQCLSA-N 299.378 1.286 0 50 CDAA COC(=O)/C=C(/C)OS(=O)(=O)c1ccc(C)cc1 210784059 QBENOPMVGLDWSB-NTMALXAHSA-N 270.306 1.777 0 50 CDAA Cc1ccc2c(c1)OCCOCCOCCOCCO2 32190772 HCQGDZNYDMLVRI-UHFFFAOYSA-N 282.336 1.816 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 262093709 HKDDUKHVONCBLO-AWEZNQCLSA-N 299.330 1.621 0 50 CDAA C[C@@H]1CCc2nc(NC(=O)N3CC[C@H](O)C3)sc2C1 335672734 VKKQHDVNEBDEJP-BDAKNGLRSA-N 281.381 1.866 0 50 CDAA CCC(CC)c1nccn1CCN1CCC[C@@H](C(N)=O)C1 71419286 BYFVOVQKTAOTLX-CQSZACIVSA-N 292.427 1.984 0 50 CDAA Cn1ccnc1[C@H]1CCN(c2ncnc3c2cnn3C)C1 374347420 BZXUTYYGDAOZIH-JTQLQIEISA-N 283.339 1.091 0 50 CDAA Cc1nc2n(c1C)CCN(C(=O)[C@@H](O)c1ccccc1)C2 375886089 XXTBIVKTEOQPDL-HNNXBMFYSA-N 285.347 1.576 0 50 CDAA c1cn([C@@H]2CCSC2)c(-c2cc3n(n2)CCNC3)n1 72476527 OYRHLVIOQDGJPD-SNVBAGLBSA-N 275.381 1.528 0 50 CDAA COc1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)cc1Cl 284698892 TVHSFLZMDFFBBL-RNCFNFMXSA-N 298.770 1.423 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cccc(C)c2Cl)C1 284779464 HVVMIOWSYOWXNV-ONGXEEELSA-N 296.754 1.363 0 50 CDAA Cc1n[nH]c(C(C)C)c1C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 263215707 OBRXCNYHLAKVCP-PSASIEDQSA-N 279.340 1.634 0 50 CDAA CCc1nc(C)c(CNC(=O)CN2CCC[C@@H](O)C2)s1 223073449 LJASDNSUVYIDIM-LLVKDONJSA-N 297.424 1.087 0 50 CDAA CN(CC(=O)O)Cc1cnc(NCc2ccccc2)nc1 222390823 VLEWNTGCJBYPOL-UHFFFAOYSA-N 286.335 1.605 0 50 CDAA O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC1CC1 44903056 BKWHJAKDQWIWCX-UHFFFAOYSA-N 287.294 1.328 0 50 CDAA CC(C)c1n[nH]c2c1CN(C(=O)[C@@H](C)N(C)C)CC2 426697338 LZZAKKPIYBCVDN-SNVBAGLBSA-N 264.373 1.368 0 50 CDAA C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CN 237702728 ABIDJHZUWVNZBQ-JOYOIKCWSA-N 268.744 1.587 0 50 CDAA CNC(=O)c1ccc(CNc2cc(COC)ncn2)o1 95380071 WRJNOJUNPAKQGJ-UHFFFAOYSA-N 276.296 1.188 0 50 CDAA Cc1nnc2ncc(-c3ccnc4[nH]ccc34)cn12 426544622 COPNKLKWKVZDLF-UHFFFAOYSA-N 250.265 1.976 0 50 CDAA Cc1ncc(Cl)c(C(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)n1 91643575 LKHVSLGBJNEEEL-CLAHSXSESA-N 295.770 1.671 0 50 CDAA CC(C)(NC(=O)[C@H]1CCCCO1)c1nnc(N)s1 97575046 UVEROOZVZWTFAQ-SSDOTTSWSA-N 270.358 1.041 0 50 CDAA CC1(C)CN(C(=O)c2ncc(F)cc2F)CC[C@]1(C)O 91998042 RDVWMALXBNYZBG-AWEZNQCLSA-N 284.306 1.983 0 50 CDAA CCc1cccc(C)c1NC(=O)NCc1n[nH]c(N)n1 95510101 FVXBLKBXQHLDFY-UHFFFAOYSA-N 274.328 1.579 0 50 CDAA O[C@]12CCNC[C@H]1CN(c1ncc(Cl)cc1F)CC2 95382017 AUYISKGSIPPNIF-ZANVPECISA-N 285.750 1.425 0 50 CDAA COc1c(C)cnc(Cn2cccc(OC)c2=O)c1C 95513267 YJNGMXRRDHVGBJ-UHFFFAOYSA-N 274.320 1.926 0 50 CDAA CC[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CCN1C(C)C 91426456 SKOPAUXXMJBFEW-AWEZNQCLSA-N 291.395 1.330 0 50 CDAA CCc1[nH]nc(C(=O)N2CC(N3CCCC[C@H]3C)C2)c1C 97272548 IGDVXNPZVKPWGK-LLVKDONJSA-N 290.411 1.979 0 50 CDAA Cc1ccc(-c2cc(C(=O)N3C[C@H](O)CO3)[nH]n2)s1 92037169 FZTPMGHRTLGNHV-QMMMGPOBSA-N 279.321 1.195 0 50 CDAA N[C@H]1CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 97775778 KMFBWCIIFALXJB-JTQLQIEISA-N 271.320 1.091 0 50 CDAA Cc1nonc1CN1CC[C@@]2(CCCN(C(C)C)C2=O)C1 92077496 LHUFXAOCEXYZER-HNNXBMFYSA-N 292.383 1.601 0 50 CDAA O=C(NCCCn1ncc2ccccc21)c1cnc[nH]1 240517146 NVMKKCBZNMHBLC-UHFFFAOYSA-N 269.308 1.580 0 50 CDAA O=C(N[C@@]1(CO)CCOC1)c1cccc(-c2ccoc2)c1 182834694 WELJXIHLYJRUSQ-MRXNPFEDSA-N 287.315 1.828 0 50 CDAA CC(C)(NC(=O)c1cncc(-n2ccnn2)c1)C(F)(F)F 297817917 LZGTXRCMAYMWOX-UHFFFAOYSA-N 299.256 1.733 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@H]([C@H](C)N)C2)cn1 299738820 GWEGYSOPVGKASS-JSGCOSHPSA-N 261.369 1.518 0 50 CDAA O=C(O)C[C@@H](NC(=O)CCn1cnnc1)c1ccccc1 534661177 CPEWHWNLEOUSOX-GFCCVEGCSA-N 288.307 1.000 0 50 CDAA O=C(C[C@@H]1CC1(F)F)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534584179 OJUVKOIUXSXSFK-NZFPMDFQSA-N 256.296 1.241 0 50 CDAA c1nc(N2CCC[C@@H](c3nc[nH]n3)C2)c2cc[nH]c2n1 363604781 SKESJZPUFKGRRE-SECBINFHSA-N 269.312 1.460 0 50 CDAA CCCOc1cncc(NC(=O)[C@@H](N)C(C)C)c1 638583743 MUDJMXKXIHILRX-LBPRGKRZSA-N 251.330 1.792 0 50 CDAA Cc1n[nH]nc1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 299774904 JARKANOKOJBXAI-GFCCVEGCSA-N 291.399 1.640 0 50 CDAA CC(C)N1CCC[C@@H](CN(C)C(=O)c2cncnc2)C1 584886378 FOYNJVIRWRLWFF-ZDUSSCGKSA-N 276.384 1.669 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC1(OC)CCC(C)CC1 861456866 BCIHFYUKPMRMAG-UHFFFAOYSA-N 282.384 1.342 0 50 CDAA CNC(=O)C[C@@H]1CCN(C(=O)CCC2CCCC2)C1 670467525 QUSBTLUZEKAEBM-ZDUSSCGKSA-N 266.385 1.941 0 50 CDAA O=C1NCCC[C@@H]1NC1CCN(c2ccccc2F)CC1 584887251 FFRISZXHZBWZHE-AWEZNQCLSA-N 291.370 1.663 0 50 CDAA Cc1nsnc1C(=O)N(C)[C@@H](C)c1ccncn1 1857683496 HMLDRRXXOKFSRV-QMMMGPOBSA-N 263.326 1.470 0 50 CDAA C[C@H]1[C@@H](N(C)C)CCN1C(=O)c1ccc(C(=O)O)cc1F 685944983 MNNJDHQNAFWZSQ-ZANVPECISA-N 294.326 1.689 0 50 CDAA COc1ccc(NC(=O)CC(C)(C)CC(=O)O)nc1 952850252 WGWMAGXVKASXRO-UHFFFAOYSA-N 266.297 1.920 0 50 CDAA CCNC(=O)NC1CCC(OC(=O)c2[nH]cnc2C)CC1 952881676 CKSRQYMEAIYTAG-UHFFFAOYSA-N 294.355 1.505 0 50 CDAA CCc1ccnc(C(=O)NCc2[nH]cc(C)c(=O)c2C)c1 952995029 ASZAVNNBDAYRLB-UHFFFAOYSA-N 285.347 1.879 0 50 CDAA CN(C[C@H]1CCCO1)CC(C)(C)CN1CCOCC1 200581647 SBBHGFAITOYOCC-CQSZACIVSA-N 270.417 1.456 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1c1ccnc2ncccc12 872541477 MLKFDLZZQPSPEU-NWDGAFQWSA-N 273.336 1.870 0 50 CDAA COC(=O)c1cnc2c(c1)CCCN2C(=O)C1CC1 1875326026 YFXXTAKQUKALIY-UHFFFAOYSA-N 260.293 1.557 0 50 CDAA CC1=CC[C@H](C(=O)NCCc2cc(C(=O)O)n[nH]2)CC1 1875316004 QGUQZOOOAGYRMS-JTQLQIEISA-N 277.324 1.513 0 50 CDAA COC(=O)c1[nH][nH]c(=NC(=O)N2CC3(CCCC3)C2)c1C 1875301640 NWNOTQVUAXMRQQ-UHFFFAOYSA-N 292.339 1.335 0 50 CDAA Cc1cnc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)o1 1875393689 LBQIPZJVRSGUIA-APPZFPTMSA-N 290.323 1.658 0 50 CDAA CCCCN(Cc1cccnc1)C(=O)Cn1nccn1 952873158 HHXYGYYUKPQFPS-UHFFFAOYSA-N 273.340 1.502 0 50 CDAA Cc1cc([C@H]2NC(=O)c3ccc(F)cc3N2)nn1C 877848357 KWJLZQCPYRHJOB-GFCCVEGCSA-N 260.272 1.722 0 50 CDAA N[C@H](c1nccs1)C1(O)CCC2(CC1)OCCO2 958527607 BBJPGQXSTSKLKA-SECBINFHSA-N 270.354 1.191 0 50 CDAA C[C@@]1(N)CCCC[C@@H]1C(=O)NCCCc1cc(O)n[nH]1 888096791 QWIRLWFPQLTZKE-BXUZGUMPSA-N 280.372 1.072 0 50 CDAA Cn1ccnc1[C@@H]1C[C@H](Nc2nccn3cncc23)CCO1 894130277 DIVYHWPJQLAKCE-YPMHNXCESA-N 298.350 1.795 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1nc2cc(F)ccc2[nH]1 1565509591 VCNDMITVEUPEPM-JQWIXIFHSA-N 293.298 1.236 0 50 CDAA O=C(CCc1cccc2c1OCO2)N1CCC[C@@H]1CO 186258507 ISNQRFDHHYPNKH-GFCCVEGCSA-N 277.320 1.331 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2nncs2)cnn1C 275449099 XLLMJFAWTVKJEL-WPRPVWTQSA-N 293.352 1.296 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1cnn(C)c1 277284205 UGSCKJQHMLJOPL-NEPJUHHUSA-N 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230140767 JKNXDNIPXJCZOD-KBPBESRZSA-N 295.427 1.091 0 50 CDAA CC(C)Cc1ccc(S(=O)(=O)N2CCNCC2)cc1 36115808 KZJIVGLNMLOAEG-UHFFFAOYSA-N 282.409 1.479 0 50 CDAA Cc1ccc(CCC(=O)N(C)[C@@H]2CCNC2=O)s1 355321622 XKPCELPNJGOWSO-LLVKDONJSA-N 266.366 1.336 0 50 CDAA CC(C)NC[C@H](O)c1ccc(NS(C)(=O)=O)cc1 896819 ZBMZVLHSJCTVON-LBPRGKRZSA-N 272.370 1.090 0 50 CDAA biogenic,fda CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 328694906 CZGDPMLESCQHDL-UPJWGTAASA-N 285.409 1.458 0 50 CDAA CN(C)Cc1ccnc(NC(=O)[C@H]2CCCCO2)c1 125875517 ODMXLSFQNDVEAO-GFCCVEGCSA-N 263.341 1.651 0 50 CDAA CC(C)[C@@H]1CN(C)CCN1c1ncnc2c1cnn2C 172375289 NQUPISGQBMEBQR-LBPRGKRZSA-N 274.372 1.140 0 50 CDAA Cn1ncnc1[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21 328899301 XFIORQRNAQPHSE-QNWHQSFQSA-N 290.367 1.151 0 50 CDAA Cc1cc(C(=O)N2CCNC[C@@H]2C)ccc1-n1cncn1 126005682 VHMBVUXTHYDDQC-LBPRGKRZSA-N 285.351 1.010 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1ccc(Cn2ccnc2)cc1 124594990 DQEMJJVUSSPVBP-CYBMUJFWSA-N 284.363 1.365 0 50 CDAA Cn1c(C[C@H](O)CNC(C)(C)C)nc2ccccc21 71771742 AAZHCJWCFHZEQI-NSHDSACASA-N 261.369 1.865 0 50 CDAA CC(C)(C)c1ncc(C(=O)N2CCO[C@H](C(=O)O)C2)s1 236640420 SWSNANABACYQSQ-QMMMGPOBSA-N 298.364 1.366 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2ccon2)c1 282432891 JCAIFARDNKTQGG-FZMZJTMJSA-N 288.303 1.631 0 50 CDAA C[C@@H](O)C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 334149516 HGNMTYNRBDCBPN-SSDOTTSWSA-N 291.273 1.515 0 50 CDAA C[C@@H]1CC2(CCC2)CN1C(=O)[C@H]1CCN(C)C(=O)C1 334492931 OTVNJFDMKBBORE-NEPJUHHUSA-N 264.369 1.646 0 50 CDAA C[C@@H](CCn1cccn1)N1CCC2(CC1)CN(C)C(=O)O2 72477243 IFLHBQYUOGELKS-ZDUSSCGKSA-N 292.383 1.578 0 50 CDAA Cc1cc(N2CCCN(C(=O)c3cn[nH]c3)CC2)ccn1 215058261 OQAPYFSIRWFZLP-UHFFFAOYSA-N 285.351 1.466 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 238086130 QPDDTIGTHJVOBS-SNVBAGLBSA-N 261.281 1.043 0 50 CDAA C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC(CC(=O)O)CC1 262430736 MJBOSDCYDXTNOT-DGCLKSJQSA-N 299.367 1.284 0 50 CDAA C[C@@H]1CCOCCN1C(=O)c1ncn(-c2ccccc2)n1 374988414 HBUGMNDDHWINPQ-GFCCVEGCSA-N 286.335 1.518 0 50 CDAA Cc1cccc(C[C@H](C)NC(=O)c2cc(CO)ccn2)n1 219322073 FDUMYARJEAWYSA-LBPRGKRZSA-N 285.347 1.638 0 50 CDAA COc1ncccc1C(=O)N1CC(c2ccncc2)C1 72145824 LOBNVHUWEBEJSN-UHFFFAOYSA-N 269.304 1.725 0 50 CDAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)C1CC=CC1 241126160 JJYCCOKFUDZBSB-AAEUAGOBSA-N 261.325 1.333 0 50 CDAA CN(C)c1ccnc(N2CCO[C@@H](C(F)(F)F)C2)n1 71747193 DEOWXCNXYQYROB-MRVPVSSYSA-N 276.262 1.310 0 50 CDAA CC1(C)C=CC(C)(C)n2c(=O)n(-c3ccccc3)c(=O)n21 45071988 LAEZHOXNTVNRKP-UHFFFAOYSA-N 285.347 1.841 0 50 CDAA Cc1nc(CCN(C)C(=O)c2csnc2C)no1 286281464 TXAZXRHNJWEKGB-UHFFFAOYSA-N 266.326 1.458 0 50 CDAA CCOc1cccnc1C(=O)N1CC[C@@H](C(=O)O)C1 178275090 SUEXRBZEFSSCCT-SECBINFHSA-N 264.281 1.027 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CCN[C@@H](C)C1 426388095 ZWSZKPHCJROLDS-QMMMGPOBSA-N 274.290 1.598 0 50 CDAA N[C@H]1CCCN(Cc2cccc(Cn3cccn3)c2)C1 426563104 JIWCNZPKIQOKJW-INIZCTEOSA-N 270.380 1.855 0 50 CDAA O=C(O)[C@@H]1CCCN1Cc1cnc(-c2ccccn2)nc1 222445989 YDAHQPPSYGBKRR-ZDUSSCGKSA-N 284.319 1.588 0 50 CDAA Cc1noc([C@@H](C)NC(=O)Cc2ccsc2)n1 338114238 HXAXZWMGBQTJRV-SSDOTTSWSA-N 251.311 1.859 0 50 CDAA c1cnnc(-c2noc(CCc3n[nH]c4c3CCCC4)n2)c1 82121184 VBVKWFJKYCXOIB-UHFFFAOYSA-N 296.334 1.914 0 50 CDAA Cc1ncc(CNC(=O)c2ncoc2C(F)(F)F)o1 616226681 NSXZGGYGRJNMGN-UHFFFAOYSA-N 275.186 1.920 0 50 CDAA CNC(=O)C1(NC(=O)c2ccnc(NC)c2)CCCCC1 96153400 LLZSPHCECZOVDU-UHFFFAOYSA-N 290.367 1.302 0 50 CDAA CN(C(=O)COCc1ccccc1Cl)[C@@H]1CCNC1 179049466 AFSSNJHHEIGADK-GFCCVEGCSA-N 282.771 1.677 0 50 CDAA CC(=O)Nc1ccc(C(=O)O[C@@H](C)CN(C)C)cc1 143841429 QLYIOURIXWBCJF-JTQLQIEISA-N 264.325 1.752 0 50 CDAA CCc1cccc(OC2CN(C(=O)[C@@H](O)C(C)C)C2)c1 95356709 MIYSQWVTOIVINL-HNNXBMFYSA-N 277.364 1.856 0 50 CDAA COCC[C@]1(O)CCN(C(=O)c2cnc(C)s2)C[C@H]1C 92045687 PIDDOIHBLSAHSQ-QMTHXVAHSA-N 298.408 1.701 0 50 CDAA CCCn1cc(C(=O)NCCn2ccnc2CC)c(C)n1 91620172 VPPMXEFPRIOWRG-UHFFFAOYSA-N 289.383 1.790 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2ccc(-c3nc[nH]n3)cc2)n[nH]1 343371601 VTAISRGDWMAORO-MRVPVSSYSA-N 297.322 1.389 0 50 CDAA CCOc1ccc(NC(=O)[C@H]2CC[C@H]2C(N)=O)nc1C 620647258 XTAKHBUHGAXQKB-ZJUUUORDSA-N 277.324 1.239 0 50 CDAA O=C(N[C@H](C1CC1)C(F)(F)F)c1cc2n(n1)CCC2 295416334 IBYZURZZCBNNLT-SNVBAGLBSA-N 273.258 1.900 0 50 CDAA COc1cc(C)c(Cl)cc1S(=O)(=O)n1cncn1 241961277 UQYIVLSICDGQEE-UHFFFAOYSA-N 287.728 1.486 0 50 CDAA CCN(Cc1cc(C(C)C)on1)[C@H]1COC[C@@H]1O 244619964 FJJWEIMMMXSTSZ-RYUDHWBXSA-N 254.330 1.380 0 50 CDAA Cn1cc([C@@H]2CCN([C@@H]3Cc4ccccc4[C@@H]3O)C2)cn1 182786311 XTSVZHDLTIFBIO-XYPHTWIQSA-N 283.375 1.868 0 50 CDAA C[C@](O)(CC(=O)N1CC[C@@H](n2cccn2)C1)c1ccccc1 298216793 FGWJCRYWPRLGMQ-WBVHZDCISA-N 299.374 1.954 0 50 CDAA Cc1nc(CCN(C)C(=O)NCC[C@H]2CCCOC2)no1 534635473 BGIDKZISAJFEMI-GFCCVEGCSA-N 296.371 1.379 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1sccc1Cl 534647315 VZJZARZILVZSCY-VXNVDRBHSA-N 284.768 1.951 0 50 CDAA CCOCCN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O 381966425 IPNQFOPRBUTJQZ-JTQLQIEISA-N 272.345 1.149 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(Cl)cn1 823350073 KEHBRNPDCJBLBP-RYUDHWBXSA-N 283.759 1.184 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1csc(C)n1 824912940 ZXBGRSDYHPSJAD-QMMMGPOBSA-N 260.384 1.295 0 50 CDAA Cc1cccc(OC2CN(C[C@H]3CCC(=O)O3)C2)c1 828257886 DXRXLVCAYRPGLE-CYBMUJFWSA-N 261.321 1.764 0 50 CDAA Cc1nonc1CN[C@H](C)CN1CCCCCC1 821260045 JGUJVUMCIHRNFQ-LLVKDONJSA-N 252.362 1.732 0 50 CDAA Cc1csc(CN(C)c2cncc(C(=O)N(C)C)n2)n1 825258317 RJUYTQJNDQIARN-UHFFFAOYSA-N 291.380 1.580 0 50 CDAA OCCn1ncnc1[C@@H]1CCOc2ccccc2C1 828778574 ZXDYPMPJXUULSO-GFCCVEGCSA-N 259.309 1.379 0 50 CDAA CCn1c(NC(=O)[C@H]2C[C@H]2C(=O)O)nc2ccccc21 268888382 HJJQTWXDEFNAAJ-DTWKUNHWSA-N 273.292 1.715 0 50 CDAA COCCN(C)CC(=O)N1CCC2(CCCC2)C1 584901045 ZWNPPRWZBHOIMI-UHFFFAOYSA-N 254.374 1.357 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCC(c2c[nH]nc2C)CC1 861591507 WSHPSNMNLKKIJB-UHFFFAOYSA-N 290.367 1.069 0 50 CDAA O=C(NCc1cccs1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239046908 FZABPMAKCGNVOU-DBIOUOCHSA-N 281.333 1.243 0 50 CDAA Cc1csc(CN(C)[C@@H]2CCNC(=O)CC2)n1 670438677 KIPXBBCSWHAFDL-JTQLQIEISA-N 253.371 1.552 0 50 CDAA O=C(NC1CCCCCC1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239309926 HYCFRKTXICJVPV-LPWJVIDDSA-N 279.336 1.480 0 50 CDAA COc1cc2c(cc1CN(C)C[C@@H]1CCOC1)OCCO2 670470900 UCZHAIRYTSLUOP-LBPRGKRZSA-N 293.363 1.935 0 50 CDAA CN(C)C[C@@H]1COCCN(C(=O)c2ccc(Cl)cn2)C1 670444732 BKAQJFJQSVFWSI-NSHDSACASA-N 297.786 1.385 0 50 CDAA CCCNc1cc(N2CCC[C@@H](CNC(C)=O)C2)ncn1 865475788 FMHNZPRZNZYAMO-ZDUSSCGKSA-N 291.399 1.651 0 50 CDAA Cn1cnc([C@@H]2CN(C(=O)NC3CCCCC3)C[C@H]2N)c1 1551951947 VXUUBQVBVPYVAZ-CHWSQXEVSA-N 291.399 1.189 0 50 CDAA C=C=CCNS(=O)(=O)C[C@@H]1CC[C@H](C2CC2)O1 952993702 POEYMMWMTRFEFP-NWDGAFQWSA-N 257.355 1.205 0 50 CDAA O=S(=O)(C[C@@H]1C[C@H]1C(F)F)NCc1ccncc1 1875288528 KFIKOBRPKIHIAI-VHSXEESVSA-N 276.308 1.402 0 50 CDAA Cc1ncc(CCNC(=O)c2cnc(NC3CC3)s2)o1 1875296683 IPAZAONONZHUMO-UHFFFAOYSA-N 292.364 1.986 0 50 CDAA NCC[C@@H]1CCCN(C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 876839118 ZTZWEJPUKVRWMD-LBPRGKRZSA-N 299.378 1.673 0 50 CDAA Cc1cc(C(=O)Nc2ccnnc2)c(C)n1-c1cnccn1 1875331959 GXDBERKNRQBBIT-UHFFFAOYSA-N 294.318 1.926 0 50 CDAA O=C(O)c1ccc(CC(=O)N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)cc1 1875300633 LIRYNEMOWABJIQ-XUXIUFHCSA-N 271.316 1.794 0 50 CDAA Cc1cncc(C(=O)[C@@H]2C(=O)N(C)C(C)(C)C2=O)c1 1875323012 RSNVRBUDSPBISJ-JTQLQIEISA-N 260.293 1.009 0 50 CDAA C=CC(=O)N1CCC(C(=O)NC[C@@H](OC)C(C)(C)C)CC1 1875370560 TZJAOUWCORFQGR-CYBMUJFWSA-N 296.411 1.588 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ncc(C)cn2)C1 888079268 QADHUHFNJAMZOD-VXGBXAGGSA-N 273.340 1.470 0 50 CDAA CC(C)(C)N1C[C@H](CNCC2(O)CCC2)CC1=O 1353286406 BXRWVZMCVDPLAR-NSHDSACASA-N 254.374 1.138 0 50 CDAA CC(=O)N(C)Cc1cn(CCc2ccccc2)nn1 899693440 QQLGCTRROWJJOX-UHFFFAOYSA-N 258.325 1.499 0 50 CDAA Cc1nn(CC(F)(F)F)cc1C(=O)N[C@]1(C)CCOC1 270069818 CLYVJWBHOZLQDW-LLVKDONJSA-N 291.273 1.663 0 50 CDAA Cn1ncc(C2CCC2)c1C(=O)N=c1cc[nH]cc1 665532763 TYSQUUUNYXJRJX-UHFFFAOYSA-N 256.309 1.757 0 50 CDAA COc1cc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc(C)n1 407962766 AWAVNPAEPCWLOZ-YPMHNXCESA-N 277.368 1.611 0 50 CDAA O=C(N[C@H]1COc2ccccc21)c1c[nH]nc1[C@@H]1CCOC1 275528557 MUHXBZKSHJNXIZ-MFKMUULPSA-N 299.330 1.777 0 50 CDAA CCc1nn(C)cc1NC(=O)[C@@H]1CCCO[C@H]1C 276822117 NMIRAMOADOPHCI-VHSXEESVSA-N 251.330 1.736 0 50 CDAA COCCO[C@@H]1CCN(c2nccn3nc(C)cc23)C1 277979859 ZNKBLQHENOFGNB-GFCCVEGCSA-N 276.340 1.279 0 50 CDAA COc1cccc(CNc2nc(C(C)C)nn2C)n1 170611024 SKCORNSNLNRHOK-UHFFFAOYSA-N 261.329 1.954 0 50 CDAA Cc1nc(N2CCOCC2)ccc1Br 40456698 JPBCOHGBRRIGPI-UHFFFAOYSA-N 257.131 1.989 0 50 CDAA in-vitro C[C@H](Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1)C(=O)O 191420025 YNXPUTHSCNTUON-ZYHUDNBSSA-N 277.320 1.925 0 50 CDAA Cc1cccc(NC(=O)N2CCC[C@@]23CCNC3=O)n1 583651347 LGLYRAQYAURHFE-AWEZNQCLSA-N 274.324 1.276 0 50 CDAA c1cn([C@H]2CCCN(CCO[C@H]3CCCCO3)CC2)nn1 585116339 RBLIVZWAXAORLQ-GJZGRUSLSA-N 294.399 1.848 0 50 CDAA C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CN(C)CCN1C 585125861 HOLGHOALDMQNTA-GVRJEKJASA-N 293.455 1.563 0 50 CDAA Cn1cccc1C(=O)NC[C@H]1CCc2cccnc21 585122609 GRKJGIZDJPRPOB-GFCCVEGCSA-N 255.321 1.880 0 50 CDAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC2COCOC2)C1 585116868 KWXCZIXDOYALKN-HIFRSBDPSA-N 298.427 1.624 0 50 CDAA Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1C[C@H](C)O[C@H](C)C1)CC2 681535596 WSTQMRRFBZCPCR-LFSVMHDDSA-N 291.395 1.895 0 50 CDAA Cn1nncc1-c1nc(C2(c3ccncc3)CCC2)no1 656035102 VYMLQMXVLXEVDQ-UHFFFAOYSA-N 282.307 1.730 0 50 CDAA CC[C@](C)(CC(=O)O)NC(=O)c1ccc2n[nH]cc2c1 753913274 QHVMVKXXMIOGLC-CQSZACIVSA-N 275.308 1.936 0 50 CDAA C=CC(=O)NCCC(=O)N1CCc2ccccc2C1(C)C 774025896 OMBOYVUJOYTWIU-UHFFFAOYSA-N 286.375 1.999 0 50 CDAA CCc1noc(NC(=O)C2=NN(C)C(=O)CC2)c1C 1506416912 NESMYWCXSBCIMK-UHFFFAOYSA-N 264.285 1.092 0 50 CDAA Cc1nn2cnc3cc(-c4ccccc4)nn3c2nc1=O 527824 GQFSQSLTSVCOJX-UHFFFAOYSA-N 278.275 1.108 0 50 CDAA Cc1cccc(OC2CN(c3cc4nncn4c(N)n3)C2)c1 1529104840 UQMPQGUJUHYABO-UHFFFAOYSA-N 296.334 1.283 0 50 CDAA CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCO1 617830 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124066943 CAXNSHXOELFFST-NXEZZACHSA-N 253.302 1.548 0 50 CDAA CCCc1ncncc1C(=O)NCc1cccnc1 214981684 JTAHRWKWHPCHPC-UHFFFAOYSA-N 256.309 1.754 0 50 CDAA CC(=O)c1ccc(C(=O)NCC2(C)COC2)s1 215593382 WYDAZAXTCOIHFP-UHFFFAOYSA-N 253.323 1.717 0 50 CDAA O=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1ccccn1 32607233 SWMFACVIVCPACX-UHFFFAOYSA-N 294.318 1.121 0 50 CDAA CCO[C@H](CC)C(=O)N1CCC[C@@H](CCC(=O)O)C1 236930835 MROOKPXDPDQQRV-NWDGAFQWSA-N 271.357 1.905 0 50 CDAA CCCc1n[nH]c(=NC(=O)N2CCC[C@H](OC)CC2)s1 378639158 SQHOJMGRMATPKB-JTQLQIEISA-N 298.412 1.945 0 50 CDAA COC1(CC(=O)NCC2CCN(C)CC2)CCC1 240744099 HUMBBKQMJDZLAP-UHFFFAOYSA-N 254.374 1.404 0 50 CDAA C[C@@H]1CCCN(C(=O)COc2ccc(F)cc2F)[C@H]1CN 237502185 BQUMUSLRANPFIL-MFKMUULPSA-N 298.333 1.929 0 50 CDAA COCc1cccc(CNC(=O)[C@](C)(O)C2CC2)c1 286514227 RXASUCHFZGDWQD-OAHLLOKOSA-N 263.337 1.610 0 50 CDAA CCc1ccccc1CN1C[C@@H](OC)C[C@H]1C(N)=O 284786968 YRISXQBDLLQJRK-KBPBESRZSA-N 262.353 1.324 0 50 CDAA CC[C@H](NS(=O)(=O)c1cn[nH]c1)c1nccs1 80323308 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COc1ccc(CNC2CCN(C)CC2)c(OC)c1 182698 ZKIKCFJGTDQDPM-UHFFFAOYSA-N 264.369 1.888 0 50 CDAA COc1ncccc1NC(=O)N1CC[C@@H](C)[S@](=O)CC1 225394002 HGJSCDKBJIKCEZ-CFMSYZGJSA-N 297.380 1.465 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 123150501 HRPDKQCSLCXIJG-XZJROXQQSA-N 298.342 1.623 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)COc1ccc2c(c1)CCC2 237394256 QDBMFIWCJKDDEK-IUODEOHRSA-N 288.391 1.892 0 50 CDAA C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C(=O)O 237521067 AUCLUXBNGHOFAK-WCQYABFASA-N 276.336 1.240 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@H]1C1CCC1 335511986 IKSMDOKHVPZBDT-CQSZACIVSA-N 277.368 1.597 0 50 CDAA CC(C)C1(CNC(=O)c2cnn(C)c2-n2cnnc2)CC1 343734674 DKLYIXYLHPGVDV-UHFFFAOYSA-N 288.355 1.167 0 50 CDAA COc1cc(N)c(Cl)cc1C(=O)NCC1CCNCC1 33967579 YBUGDJUVZUNIRB-UHFFFAOYSA-N 297.786 1.660 0 50 CDAA in-vitro CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1ccccc1=O 267423210 MCJWVBGZSRRDMV-IUODEOHRSA-N 278.352 1.026 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cnn(C)c1 267437905 RRNIPZNDFRLUFK-ZYHUDNBSSA-N 266.345 1.603 0 50 CDAA Cc1ccnc(N2CC[C@H](O)[C@@](CC3CC3)(C(=O)O)C2)n1 1704298584 IKCTYKVTRPAXHX-WFASDCNBSA-N 291.351 1.227 0 50 CDAA Cc1coc(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)c1 910610947 LEXSBKGHHRKHIU-VTWZXRTESA-N 293.319 1.730 0 50 CDAA O=C(C[C@H]1CC=CCC1)NCCn1cnccc1=O 823635122 SADHBIUOEWCGQK-LBPRGKRZSA-N 261.325 1.106 0 50 CDAA Cc1c[nH]cc(C(=O)N2CCC[C@H]2c2ccnn2C)c1=O 928372133 SAZCDXXJTFHYJU-ZDUSSCGKSA-N 286.335 1.394 0 50 CDAA O=C(c1nccc2cccnc12)N1CCN2C(=O)CC[C@@H]2C1 935169529 TXDRLEKVSLEGOP-GFCCVEGCSA-N 296.330 1.077 0 50 CDAA Cc1cncc(-c2nc(COC(=O)C3CC3)no2)c1 837341278 IXSJJDZLFXXUQO-UHFFFAOYSA-N 259.265 1.893 0 50 CDAA CCc1nsc(N2CCN(Cc3cnns3)CC2)n1 289502507 DPGRVEJVPZDOGE-UHFFFAOYSA-N 296.425 1.274 0 50 CDAA Cc1cnn(C)c1CN1CCC[C@@H](C)[C@@H]1C(=O)O 424410776 IXQQWHSKPAUZGI-BXKDBHETSA-N 251.330 1.414 0 50 CDAA O[C@@H](CN1CCCC2(CCOCC2)C1)Cn1cccn1 375889664 IXLYOEVTRNUCEX-AWEZNQCLSA-N 279.384 1.137 0 50 CDAA COCC(=O)N1CCN(c2nc3ccccc3o2)CC1 1421366 NFXLEAXXFJQMSV-UHFFFAOYSA-N 275.308 1.123 0 50 CDAA O=C(c1ccc(OCC2CC2)nc1)N1CCCc2nn[nH]c21 2325730301 XTTKXVFADBTDLH-UHFFFAOYSA-N 299.334 1.582 0 50 CDAA CC1([C@@H](O)CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 2325783057 WJQFCUJEMLPXDC-OLZOCXBDSA-N 289.331 1.045 0 50 CDAA C[C@@](CCc1ccncc1)(C(=O)O)n1ncc(C2CC2)n1 2325789493 TWNVIGRNCIRKDC-OAHLLOKOSA-N 286.335 1.983 0 50 CDAA O=C(Nc1cc(OC(F)(F)F)ccc1O)[C@@H]1C=CCN1 2325792403 YSZINKYGIOYVTM-QMMMGPOBSA-N 288.225 1.757 0 50 CDAA C[C@@H]1C[C@@H]1c1noc(CC(=O)NO[C@@H]2CCCCO2)n1 2325798196 VBGULRSCOUOQTH-VDDIYKPWSA-N 281.312 1.310 0 50 CDAA O=C(c1coc(O)n1)N1CCCC[C@@H]1c1ncccn1 2325804349 HRHSGEVLKHKMMM-SNVBAGLBSA-N 274.280 1.538 0 50 CDAA COc1ncccc1NC(=O)N1CC[C@H]2[C@H](CCN2C)C1 866154358 VKFPGZQBGGNRAN-YPMHNXCESA-N 290.367 1.648 0 50 CDAA CCn1nc(C)c(CC(=O)Nc2nnnn2C2CC2)c1C 905846748 CVIZZGUWHOKORW-UHFFFAOYSA-N 289.343 1.022 0 50 CDAA CCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)O 174784 RFWTYMRQBJBZIB-NSHDSACASA-N 271.338 1.359 0 50 CDAA CCCCN1C[C@H](C(=O)Nc2cc(C)on2)CC1=O 8270802 IAZCECITUZQJSW-SNVBAGLBSA-N 265.313 1.570 0 50 CDAA Cc1noc(C)c1COC(=O)c1cnn2ccncc12 225840691 STVIWTQOWSXODT-UHFFFAOYSA-N 272.264 1.691 0 50 CDAA Cc1nc2ccc(N(C)Cc3cc(C)on3)nn2n1 281034922 UTKQWWQCOHKARZ-UHFFFAOYSA-N 258.285 1.366 0 50 CDAA COCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 59740410 SJCWZWSMDMUXRA-LBPRGKRZSA-N 284.400 1.424 0 50 CDAA C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2C)C[C@@H](C)O1 248101607 OCDIYDGURVIBBA-IJLUTSLNSA-N 276.402 1.215 0 50 CDAA CCCOC(=O)N1CCC[C@H](Cn2cc(C(=O)O)nn2)C1 65461476 GEAVZYKPJXGEFI-JTQLQIEISA-N 296.327 1.235 0 50 CDAA COc1cccc2c1OC[C@H](NC(=O)c1cn[nH]c1)C2 170868857 TUTMAJCIHLDCPI-LLVKDONJSA-N 273.292 1.152 0 50 CDAA CN(C(=O)Cc1c[nH]c2ncccc12)[C@@H]1CCOC1 119455920 HCFAXWTVMBLCIR-LLVKDONJSA-N 259.309 1.353 0 50 CDAA COc1ccc(COC[C@H](O)CNC(=O)[C@@H]2C[C@H]2C)cc1 252474718 KUOYWJLISSOZIF-UXIGCNINSA-N 293.363 1.345 0 50 CDAA CCN(CC)C(=O)C(=O)NC[C@@H]1CCN(C2CCCC2)C1 67841541 POPDCMCHYJFOPC-ZDUSSCGKSA-N 295.427 1.236 0 50 CDAA C[C@@H]1OCC[C@@H]1NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 252486737 MPSXSWRTXIHNIJ-PWXKEOIMSA-N 288.391 1.973 0 50 CDAA CCN(Cc1ccccn1)C(=O)C(C)(C)N1CCOCC1 283149338 JFRMARHRCNNALG-UHFFFAOYSA-N 291.395 1.541 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccco1 198475 IQIGXCCKCMDVJZ-JTQLQIEISA-N 250.254 1.471 0 50 CDAA biogenic O=c1c2ccccc2ncn1CCN1CCCC[C@@H]1CO 32560990 OZWADIQAZMHKKL-CYBMUJFWSA-N 287.363 1.243 0 50 CDAA O=C1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccncc1F 330295784 FVVQGFDXIHMPQO-WCQYABFASA-N 292.310 1.431 0 50 CDAA O=C(NCCCN1CCCC1=O)[C@@H]1CCc2ccccc21 215061302 WJECJQMINNJYJW-OAHLLOKOSA-N 286.375 1.845 0 50 CDAA c1nc2c(c(N3CCOC4(CCCC4)C3)n1)CCNCC2 72433302 SNOXFTLPPOCBNU-UHFFFAOYSA-N 288.395 1.314 0 50 CDAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cncc(F)c1 257365451 WIQUMFIORPANAY-PWSUYJOCSA-N 299.371 1.078 0 50 CDAA COCCC(=O)N1C[C@@H](O)C[C@H]1c1cccc(OC)c1 282311167 BYPFVUUBXKKQKB-JSGCOSHPSA-N 279.336 1.366 0 50 CDAA C=CC(=O)N(C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 328599912 UIPBXZVHXQIIIC-LBPRGKRZSA-N 290.367 1.556 0 50 CDAA CCN1C[C@@H](C(=O)O)C[C@@H](C(=O)Nc2ccc(F)cc2)C1 72152230 VWPGTEJJBXSUOI-MNOVXSKESA-N 294.326 1.807 0 50 CDAA CCc1nc(CN2CCO[C@H](c3nncn3C)C2)cs1 328630433 JJWMXYCFSQHBPO-NSHDSACASA-N 293.396 1.408 0 50 CDAA Cc1co[nH]c1=NC(=O)N(C)C[C@H]1CCn2ccnc2C1 328616433 BRPUHDOTIRFMCW-NSHDSACASA-N 289.339 1.328 0 50 CDAA Cc1ccc(C(=O)NS(=O)(=O)c2c(C)noc2C)nc1 125871750 GBFUZVGJJXDXKR-UHFFFAOYSA-N 295.320 1.114 0 50 CDAA CC1(C)C[C@@H](NCc2nnc3n2CCOC3)C(C)(C)O1 368989355 ICPBPHUQRJZRLV-SNVBAGLBSA-N 280.372 1.244 0 50 CDAA O=C1CCCN1CCCNc1cc(C2CC(O)C2)ncn1 219400102 MHYGEJKCIMGJEA-UHFFFAOYSA-N 290.367 1.139 0 50 CDAA CCn1cc(C(=O)NC(C)(C)c2nnc(N)s2)c(C)n1 216196432 QOGIEKIGCOMEMS-UHFFFAOYSA-N 294.384 1.310 0 50 CDAA C[C@@H]1CN(CCc2ccc(F)c(F)c2)CC(=O)N1 336297675 AADMWQJJSDFWQV-SECBINFHSA-N 254.280 1.328 0 50 CDAA NC(=O)c1ccc(N2CCO[C@@H](c3ccccc3)C2)nc1 32534844 WQGMJALIWAIGPF-CQSZACIVSA-N 283.331 1.758 0 50 CDAA Cc1cc(O)ncc1C(=O)N1CCC[C@H]1c1cc[nH]n1 336470351 OGGDBCMGLSPYQA-LBPRGKRZSA-N 272.308 1.796 0 50 CDAA O=C(NC[C@H]1CCCc2ccccc21)N[C@@H]1COC[C@H]1O 333917773 CDBVACQSVAPFKR-BPLDGKMQSA-N 290.363 1.165 0 50 CDAA C[C@H]1C[C@@H](C)CN(C[C@H](C)NCc2cncn2C)C1 237521777 SNTWXYCBXSGDAJ-MJBXVCDLSA-N 264.417 1.876 0 50 CDAA Cc1cccc2c(=O)n(CCN3CCC(O)CC3)cnc12 43016891 YTDXFLFNDNQFDF-UHFFFAOYSA-N 287.363 1.162 0 50 CDAA O[C@]1(CNCc2csc3c2CCCC3)CNCCOC1 77389435 NSXSEIHMZPFXAH-HNNXBMFYSA-N 296.436 1.067 0 50 CDAA c1ccc(CCCCNc2ncnc3c2CCNCC3)nc1 72474312 QDGYLZAXOLEKGT-UHFFFAOYSA-N 297.406 1.995 0 50 CDAA COC[C@H]1CN(C(=O)c2ccc(O)nc2C)CC(C)(C)O1 285546890 QJGUHFIXUYJUBF-LLVKDONJSA-N 294.351 1.362 0 50 CDAA CC[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2C)C1 129903228 PVKPNXUXSPULAV-ZIAGYGMSSA-N 262.353 1.632 0 50 CDAA O=C(O)CC[C@H]1NC(=O)N(Cc2ccccc2F)C1=O 504679376 JSEDYGATXHFQFP-SNVBAGLBSA-N 280.255 1.111 0 50 CDAA CS(=O)(=O)c1ccc(-c2cnc3ncnn3c2)cc1 426734207 APNCXYNTFOORGC-UHFFFAOYSA-N 274.305 1.195 0 50 CDAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]1Cn1ccnc1 177779208 KUZUEQSETIXGNY-GFCCVEGCSA-N 296.334 1.459 0 50 CDAA Cc1ccc(F)cc1CNC(=O)c1ccnn1CCO 426653076 ZUEMGDPRVVZGJN-UHFFFAOYSA-N 277.299 1.253 0 50 CDAA O=C(NCC[C@@H]1CCNC1)c1cc(-c2cccnc2)on1 178955338 XBYNHFWBQBFWQQ-NSHDSACASA-N 286.335 1.466 0 50 CDAA CC[C@@H](OC)C(=O)NCc1cccc(C(=O)NC)c1 49447916 GFYDNBKOMNNULP-GFCCVEGCSA-N 264.325 1.087 0 50 CDAA COCC[C@H]1COCCN1C(=O)CCc1ccco1 291103392 BBJPMBSHKQGCKY-LBPRGKRZSA-N 267.325 1.476 0 50 CDAA CC(C)CN1CCC(N[C@H](C)c2ccc(=O)[nH]n2)CC1 225632126 UPAOVKPVZWJULM-GFCCVEGCSA-N 278.400 1.541 0 50 CDAA COc1ccnc(C(=O)N[C@@H](C)Cn2nc(C)cc2C)c1 426726952 VHWGDFNKWBITOT-NSHDSACASA-N 288.351 1.722 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@H]1CN 179226521 HARKAPMUXJLUDN-OCCSQVGLSA-N 299.378 1.467 0 50 CDAA CCc1ccccc1C(=O)N1CCOC[C@H]1C(=O)O 161746262 FJEYCGLQVJBVDT-LBPRGKRZSA-N 263.293 1.175 0 50 CDAA Cc1nscc1C(=O)NC[C@H]1CCCN(C)C1 179688341 RBULIVQJRYTJAN-SNVBAGLBSA-N 253.371 1.523 0 50 CDAA O=C1CSc2ccccc2N1CCCn1cnnn1 95359373 GORGQJBEVBULRC-UHFFFAOYSA-N 275.337 1.202 0 50 CDAA Cc1ncnc(N2CCC(N3CCOC3=O)CC2)c1C 95379263 NIURVIXKGBZGJS-UHFFFAOYSA-N 276.340 1.514 0 50 CDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)n[nH]1)C2 91351115 XVTQKMZSCLEBAJ-NWDGAFQWSA-N 290.367 1.191 0 50 CDAA CCc1nc(N)nc(N(C)Cc2cc(C)on2)c1C 95390497 ZXGUFHPQGIWPAU-UHFFFAOYSA-N 261.329 1.862 0 50 CDAA Cc1ncsc1CCN(C)C(=O)CN1C(=O)CC[C@@H]1C 95530200 QBJXTSHBXQJYPU-JTQLQIEISA-N 295.408 1.463 0 50 CDAA O=C(c1cn2ccccc2n1)N1CCCC[C@@H]1c1nnc[nH]1 294160633 AZDRAGYCKGMVGY-GFCCVEGCSA-N 296.334 1.820 0 50 CDAA Cc1cnn(CCCNC(=O)CC[C@H]2CCCN(C)C2)c1 91486641 BACXTGBTJKXDGF-OAHLLOKOSA-N 292.427 1.820 0 50 CDAA COc1nc(C)cc(C)c1CNC(=O)Nc1cn(C)nn1 96133711 AOURZEATDBHYHB-UHFFFAOYSA-N 290.327 1.157 0 50 CDAA CCOCCC(=O)NC[C@@H]1COc2c(cccc2OC)C1 95367160 UILIFGHBJUNSNQ-GFCCVEGCSA-N 293.363 1.789 0 50 CDAA O=C(O)c1csc(CCNC(=O)[C@@H]2CCCCO2)n1 90940342 AWYNJFSSOSUERA-VIFPVBQESA-N 284.337 1.069 0 50 CDAA O=C(O)[C@]12COc3ccccc3[C@H]1CN(Cc1cnc[nH]1)C2 95526434 ACBALDJVVBZVRI-CZUORRHYSA-N 299.330 1.473 0 50 CDAA Cc1ncc(C(=O)NCc2cnn3ccccc23)[nH]1 342175361 ZILRNEVBJZOJRJ-UHFFFAOYSA-N 255.281 1.296 0 50 CDAA CC(C)N1[C@H]2CC[C@H]1CN(Cc1nccn1C)CC2 248114357 IIFNLMPQRSPGIO-KBPBESRZSA-N 262.401 1.867 0 50 CDAA COc1ccccc1C[C@H](CNC(=O)[C@H]1C[C@H]1C)C(=O)O 299741281 DKLQFFRQGDIPPT-RTXFEEFZSA-N 291.347 1.711 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3N)C2)n1 252500014 SLYPVIIRUBJUCX-OSRDXIQISA-N 286.379 1.033 0 50 CDAA C[C@H](NC(=O)[C@@H]1CSc2ccccc2O1)C(=O)O 299746984 BSDFCESLFBYKBL-CBAPKCEASA-N 267.306 1.129 0 50 CDAA Cc1oc(CNC(=O)COC[C@H]2CCCO2)cc1C(=O)O 299749769 LLHNZGBJEPEIJL-SNVBAGLBSA-N 297.307 1.098 0 50 CDAA O=C1CC[C@H](C(=O)NC2(C3CCCCC3)CC2)NC(=O)N1 534651996 AKMXGGBKFMOSNO-LLVKDONJSA-N 293.367 1.204 0 50 CDAA Cc1cc2nc(C(=O)NCC[C@H]3CCOC3)cc(C)n2n1 534655183 UDYNGMXHSALMFH-LBPRGKRZSA-N 288.351 1.503 0 50 CDAA Cn1ncc(N2C[C@H]3[C@H](C2)C3(C)C)c(Cl)c1=O 266270561 RBBLUNMRPWYADO-YUMQZZPRSA-N 253.733 1.526 0 50 CDAA CCN(CC)C[C@@H](C)NCc1cccc(CO)c1 534649998 HFOGTANLVBJBMY-CYBMUJFWSA-N 250.386 1.999 0 50 CDAA CCOc1ccc(C(=O)NC[C@H](C(C)C)N(C)C)o1 534635519 WELGOTYMWBRPOT-LLVKDONJSA-N 268.357 1.994 0 50 CDAA Cc1n[nH]cc1CN(C)CCn1cc(Cl)cn1 639971505 RGATZRSOJIZKKB-UHFFFAOYSA-N 253.737 1.700 0 50 CDAA Cc1nonc1C(=O)N[C@H](c1nccn1C)C(C)C 299779550 GENSJHJFGGWKEN-VIFPVBQESA-N 263.301 1.239 0 50 CDAA CSCC[C@@H](O)C(=O)NCCc1nc2ccccc2o1 299757830 CEKIWLZTCNCKPJ-LLVKDONJSA-N 294.376 1.601 0 50 CDAA CC(=O)NC(C)(C)C[C@@H](C)NCCC1(O)CCCC1 820978104 NZLMTLHJTXSTOV-GFCCVEGCSA-N 270.417 1.965 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)c(O)c1 584888564 PBMKDNGZZXYFFS-VXGBXAGGSA-N 266.316 1.744 0 50 CDAA COc1cccc2c(=O)n(C3(CO)CCCC3)cnc12 584891158 TYONXAWWOTVVBV-UHFFFAOYSA-N 274.320 1.667 0 50 CDAA CC[C@@H](CN(C)C)NC(=O)N1CC(c2ccccn2)C1 584886356 ZTAXLXAVKAJWPU-ZDUSSCGKSA-N 276.384 1.531 0 50 CDAA CO[C@H]1CN(Cc2ccc(OC(F)F)cc2)C[C@@H]1O 670457428 MFMMXOMGOFXMTE-RYUDHWBXSA-N 273.279 1.480 0 50 CDAA COc1cc(C)c(CN2C[C@H](O)[C@@H](OC)C2)c(C)c1C 670448394 CZBSCCSHZUXRAK-HOCLYGCPSA-N 279.380 1.812 0 50 CDAA Cc1nonc1CN1CCN(c2ncnc(C)c2C)CC1 670465165 JKUFQEVPLFEYAD-UHFFFAOYSA-N 288.355 1.107 0 50 CDAA Cc1cccc(SC2CCN(S(N)(=O)=O)CC2)c1 670446607 XUDBFVSALFZXQR-UHFFFAOYSA-N 286.422 1.755 0 50 CDAA C[C@@H]1CCC[C@H](Cn2nnnc2N2CCC(CO)CC2)C1 952876194 FJECFNFNMVMXOC-OCCSQVGLSA-N 293.415 1.708 0 50 CDAA Cc1cc(CNS(=O)(=O)[C@H]2CC[C@@H](C)C2)n[nH]1 1875298091 OBPVYQAJRCASOB-KCJUWKMLSA-N 257.359 1.326 0 50 CDAA Cc1ccc(C(=O)N2CC3(COC3)[C@](F)(C(=O)O)C2)cc1 1875271045 ZFPGCOFAOWASMV-OAHLLOKOSA-N 293.294 1.260 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)[C@H]1CC[C@@H]2CC[C@@H]21 1875311224 QTCLUUJAWMFREO-NTZHIAQWSA-N 263.337 1.648 0 50 CDAA CN(C)C/C=C/C(=O)N(C[C@@H](O)c1ccccc1)C1CC1 1875378626 IETRKOBYBYUWND-YXMGTMDOSA-N 288.391 1.829 0 50 CDAA CN1CCN(C2C3CC4CC(C3)CC2C4)CCC1=O 14982009 SMXLUZHJGJMYRD-UHFFFAOYSA-N 262.397 1.975 0 50 CDAA CCCCCOCC(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 888099706 LZGSJIAOGMAPEL-UPJWGTAASA-N 255.358 1.877 0 50 CDAA O=C(Cn1cc(Cl)cn1)NC1(c2ccccc2)COC1 888563196 GHGQQSLAQMDXOY-UHFFFAOYSA-N 291.738 1.578 0 50 CDAA Cc1nnc(N[C@H]2CCS(=O)(=O)C3(CCC3)C2)nc1C 896683036 LOZBOMIOOZLLDR-NSHDSACASA-N 296.396 1.400 0 50 CDAA Cc1nc(C(=O)NCCC(C)(C)C(=O)O)cs1 304397215 VDBQTLRPLOXYRV-UHFFFAOYSA-N 256.327 1.682 0 50 CDAA CCc1nnc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)o1 408046793 YBKOODHFPJCPPB-XQQFMLRXSA-N 295.383 1.384 0 50 CDAA C[C@H]1C[C@H](C)CC[C@@H]1NCCCNS(C)(=O)=O 221803846 YMHCUQARWBXYBC-WOPDTQHZSA-N 262.419 1.340 0 50 CDAA CCOc1ccccc1CN1CCN(S(C)(=O)=O)CC1 19520185 IBJUQCVBKFVOAU-UHFFFAOYSA-N 298.408 1.163 0 50 CDAA CCCS(=O)(=O)N1CCN(Cc2ccccc2C)CC1 19525193 WIQHJARHGCBAPU-UHFFFAOYSA-N 296.436 1.852 0 50 CDAA Cc1cc([C@@H](C)NC(=O)c2cncnc2N)c(C)o1 170080137 KJGGNEHUDFNQAI-MRVPVSSYSA-N 260.297 1.760 0 50 CDAA O=C(O)c1cccc(OCCN2CC[C@@H]3OCC[C@@H]3C2)c1 571096452 CRMONXLHRNMEJD-HIFRSBDPSA-N 291.347 1.874 0 50 CDAA COc1ccc(NC(=O)C[C@@H]2COCCN2)c(C)c1 72162275 SHKCZMXIIAPJIK-LLVKDONJSA-N 264.325 1.321 0 50 CDAA C[C@@H](OCC1CC1)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 583621464 OWDAWZWMZDFTLY-DGCLKSJQSA-N 292.383 1.040 0 50 CDAA CC(C)[C@H](CCO)NC(=O)c1cn2c(n1)C[C@H](C)CC2 585129588 ORVIYJFUHKAWQT-NEPJUHHUSA-N 279.384 1.602 0 50 CDAA COc1ccsc1S(=O)(=O)N1Cc2ccncc2C1 585114586 KLZLXOQESYWWJO-UHFFFAOYSA-N 296.373 1.856 0 50 CDAA Cc1nc(N2CCO[C@](C)(C(F)F)C2)ncc1C(=O)O 698725394 DQQBXLUWVFBOTO-LBPRGKRZSA-N 287.266 1.344 0 50 CDAA c1ccc(N2CC[C@H](NCCc3ncc[nH]3)C2)cc1 1506418395 XNDDXDYHSKOLPQ-ZDUSSCGKSA-N 256.353 1.821 0 50 CDAA C[C@H](c1ccccn1)N(C)C(=O)CCn1cnnc1 1506417272 HYAFQUJJMIGTSO-LLVKDONJSA-N 259.313 1.283 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)NC2(C(=O)O)CC2)cc1 1506396079 GAHQUGYLCXRNSD-UHFFFAOYSA-N 276.336 1.919 0 50 CDAA Cc1c(NC(=O)CCN2CCCCCC2=O)cnn1C 1506430006 WOKPZNNSSIAVHK-UHFFFAOYSA-N 278.356 1.460 0 50 CDAA O=C(C1CCC1)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529153867 WHCBRTSTAIKDJO-HUUCEWRRSA-N 275.348 1.748 0 50 CDAA CCc1c(C)noc1NC(=O)CN1CCCCC1=O 1529153704 UIVWZTLZVQUJRI-UHFFFAOYSA-N 265.313 1.496 0 50 CDAA CC1(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1529133994 KMDBITUAZGEEKV-CHWSQXEVSA-N 260.337 1.555 0 50 CDAA C[C@H](NCC1(CO)CCOCC1)[C@]1(C)CCCO1 408011114 OPUWYVVNNIROMJ-STQMWFEESA-N 257.374 1.323 0 50 CDAA CC(C)[C@@]1(O)CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C 216340936 AJBNVXQWOWPARG-BONVTDFDSA-N 277.368 1.377 0 50 CDAA C[C@H](NS(=O)(=O)C1(C)CC1)c1nc(C(C)(C)C)no1 408459572 IXURINHFMJFKDM-QMMMGPOBSA-N 287.385 1.900 0 50 CDAA Cc1ncc(CN(CCO)Cc2nccs2)[nH]1 1704325048 JEUMMLKCNPCAAX-UHFFFAOYSA-N 252.343 1.169 0 50 CDAA O=C(c1n[nH]cc1Cl)N1Cc2ccccc2[C@H](O)C1 1857685659 OHPUXZJVTOEETL-LLVKDONJSA-N 277.711 1.753 0 50 CDAA O=C(NCCCCO)c1cccc(C(F)(F)F)c1O 570223831 GKNHDTPUZNQFQQ-UHFFFAOYSA-N 277.242 1.913 0 50 CDAA O=C(OCC1CC1)N1CCC[C@](O)(C2(C(=O)O)CCC2)C1 1602613273 CMMYFZFNEUGWPY-OAHLLOKOSA-N 297.351 1.615 0 50 CDAA O=C(N[C@]12CCC[C@H]1CNC2)c1cccc2c1COCC2 1615555689 WWCKRXQJCWWZIS-GUYCJALGSA-N 286.375 1.631 0 50 CDAA COCc1nc(C(=O)NCC2(OC)CCCC2)co1 578486277 PXKXUNNWYARKLE-UHFFFAOYSA-N 268.313 1.510 0 50 CDAA Cn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)C1 1616036429 UYYPQPGMAIXMJR-UHFFFAOYSA-N 287.367 1.416 0 50 CDAA c1cn2c(n1)CC[C@@H](N[C@@H]1[C@@H]3[C@@H]4[C@@H]5C[C@H]6[C@H]4C[C@H]3[C@@H]6[C@H]51)C2 1616037024 FCGYJMGFOFYRCB-LAYNUFCZSA-N 281.403 1.934 0 50 CDAA Cc1nc(CN2C[C@H](c3cccnc3)[C@@H](C(=O)O)C2)co1 1616104644 IERHGFZCSGMECJ-KGLIPLIRSA-N 287.319 1.678 0 50 CDAA CCCCNC(=O)N1CCC(CO)(CN(C)C)CC1 1772709956 NEBSANUUSDZNNM-UHFFFAOYSA-N 271.405 1.132 0 50 CDAA CN1C[C@H](CN2CCC(Cn3cccn3)CC2)CCC1=O 1775978761 VPSLIDKHVHXLLQ-OAHLLOKOSA-N 290.411 1.464 0 50 CDAA Cc1nnc(CN(C)c2cnc3ccccc3n2)o1 1640135991 NIELYHCIOXSRTD-UHFFFAOYSA-N 255.281 1.958 0 50 CDAA CCOC(=O)CNC(=O)/C=C/c1cccc(OC)c1OC 5592151 VRUMPSXGMPYPNR-CMDGGOBGSA-N 293.319 1.396 0 50 CDAA COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 153660 KLXHCGFNNUQTEY-AATRIKPKSA-N 252.266 1.899 0 50 CDAA endogenous,in-man COC(=O)C1(Oc2ccccc2OC)CCNCC1 205360831 PIMJZKLYWZFFSR-UHFFFAOYSA-N 265.309 1.369 0 50 CDAA CC(C)OCCCNC(=O)C(=O)Nc1ccc(F)cc1 3003021 SNHFHWIOPMAVNW-UHFFFAOYSA-N 282.315 1.696 0 50 CDAA O=C(c1ccc(-n2cnnc2)cc1Cl)N1CCOCC1 6702136 YMLWZSRSKLTHLD-UHFFFAOYSA-N 292.726 1.393 0 50 CDAA Fc1ccccc1-n1ncnc1[C@H]1CCn2ncnc2C1 1857710921 AUUDXTJEGHAEFA-JTQLQIEISA-N 284.298 1.728 0 50 CDAA Cc1ccccc1-c1nccn1CCS(C)(=O)=O 1875241132 OWDPSUBJYUHSFN-UHFFFAOYSA-N 264.350 1.903 0 50 CDAA CN(C)c1nsc(-c2cnc3c(c2)CCN3C)n1 1875243710 UECGZYDCUJTMIG-UHFFFAOYSA-N 261.354 1.658 0 50 CDAA CN1C[C@@H](C(=O)N2CC=C(c3cccs3)CC2)CC1=O 117720174 VERNOUFXGCIBEV-LBPRGKRZSA-N 290.388 1.842 0 50 CDAA C[C@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@@H](C)O1 117741493 DPUFSPNUVGAESV-GRYCIOLGSA-N 264.325 1.485 0 50 CDAA CC(C)(CC(=O)Nc1ccc(Cl)cc1C(N)=O)C(=O)O 236797864 HDAWELFADGSRDQ-UHFFFAOYSA-N 298.726 1.878 0 50 CDAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@@H]2CCNC2)c1 127553647 DMKJWGPVLUJZNC-WDEREUQCSA-N 282.771 1.894 0 50 CDAA CCNc1nc(C)c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)s1 248087254 BLTPEPRRRXZTCQ-MNOVXSKESA-N 294.424 1.659 0 50 CDAA O=C1NCCCC[C@H]1CC(=O)N1CCC(CCCO)CC1 369204609 PFOKSLZUEFEZSH-AWEZNQCLSA-N 296.411 1.304 0 50 CDAA Fc1cccnc1NCc1cc(O[C@H]2CCNC2)ccn1 818626738 HWMQCUGZFQNXBX-ZDUSSCGKSA-N 288.326 1.969 0 50 CDAA C[C@H]1CN(Cc2cnc(N)cn2)CCN1c1ccccc1 904469872 QBPQCPGPODVJIF-ZDUSSCGKSA-N 283.379 1.770 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccsc1)C2 1704312767 ZAXNMGABJHPSKS-JQWIXIFHSA-N 266.366 1.151 0 50 CDAA C[C@H]1CN(C(=O)c2ccccc2-n2cccc2)CC(=O)N1 821502299 NPZGKVVXMBLOFA-LBPRGKRZSA-N 283.331 1.438 0 50 CDAA Cc1nn(CC(F)F)cc1C(=O)N(C)[C@@H]1CCC[C@H]1O 829607294 JLWNIFFSRSHIPH-GHMZBOCLSA-N 287.310 1.442 0 50 CDAA O[C@H](CNCc1ccnc(N2CCCC2)c1)c1ccccn1 853096444 BHVUDPUJDZLMHG-MRXNPFEDSA-N 298.390 1.900 0 50 CDAA O=C(CNC(=O)c1ccc(F)cc1)Nc1nccs1 12582176 JRINFHCAIJPZJG-UHFFFAOYSA-N 279.296 1.651 0 50 CDAA COc1cc2c(cc1OC)CN([C@H]1CCCNC1)CC2 37246713 DKRPVLVHNHDGIM-AWEZNQCLSA-N 276.380 1.814 0 50 CDAA CCc1nsc(N2C[C@@H](C)C[C@H](C(=O)O)C2)n1 263172028 JKKBCYDULWIOTA-YUMQZZPRSA-N 255.343 1.648 0 50 CDAA CC1(C)CN(CC(=O)NC[C@@H]2CCCO2)CC(C)(C)O1 190521290 JPNDSWDPDBILDS-LBPRGKRZSA-N 284.400 1.171 0 50 CDAA O=C(NC[C@@H](CC1CC1)C(=O)O)C1CCOCC1 405394835 HYUSRJRNELUTSX-LLVKDONJSA-N 255.314 1.030 0 50 CDAA CCn1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)n1 335567310 SVDPVYHKRIXYQW-KGLIPLIRSA-N 271.320 1.291 0 50 CDAA COC(=O)c1cncc(N2CCSCC[C@@H]2C)n1 385264094 YKFHFTQQUCIRBS-VIFPVBQESA-N 267.354 1.595 0 50 CDAA Cc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1C 2100541068 UKCURCNNPXAPSN-UHFFFAOYSA-N 258.325 1.925 0 50 CDAA O=C(O)[C@H]1CN(Cc2ccc(F)c(Cl)c2)CC[C@H]1O 1529167383 HZWQDKAXBDUMRH-JOYOIKCWSA-N 287.718 1.747 0 50 CDAA Cc1cccc(C2(C(=O)N3[C@H]4CC[C@H]3C(=O)NC4)CCC2)c1 2325787656 NXNDEHQRCCQJKK-GJZGRUSLSA-N 298.386 1.906 0 50 CDAA CSCCC(=O)N(CCc1cccs1)CC(=O)O 2325805396 FSUYAYUTDCZXQW-UHFFFAOYSA-N 287.406 1.957 0 50 CDAA O=C(O)[C@H](CNCc1cnn2c1CCC2)C1CCOCC1 2325829959 XBPDTRJFALTPHU-CYBMUJFWSA-N 293.367 1.046 0 50 CDAA COc1ccc2[nH]ccc(=NC[C@@H]3C[C@H](O)CN3C)c2c1 895233763 IMHBCCAFFYXAKL-RYUDHWBXSA-N 287.363 1.142 0 50 CDAA Cc1nonc1NC(=O)[C@@H](C)N1Cc2ccccc2C1=O 903040552 RIBOCSYWQJRVTN-SECBINFHSA-N 286.291 1.361 0 50 CDAA COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC 811 XWVOEFLBOSSYGM-UHFFFAOYSA-N 281.308 1.185 0 50 CDAA biogenic,in-man Cc1nc2ccccc2c(=O)n1CCCn1ccnc1 181323 HPXWBMAYHXJEHQ-UHFFFAOYSA-N 268.320 1.992 0 50 CDAA biogenic COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 221747 BLHLROXXSQXSHY-QMMMGPOBSA-N 253.685 1.866 0 50 CDAA NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCCC1 1252885 RNNCWUKKTVCQDW-UHFFFAOYSA-N 272.304 1.471 0 50 CDAA Cc1occc1C(=O)NC[C@@H](O)c1cccc(O)n1 2356143290 BMNDRJMRFZBMKQ-LLVKDONJSA-N 262.265 1.152 0 50 CDAA CC(C)C[C@H]1C[C@@](C)(C(=O)CNc2nncs2)OC1=O 2828622 MYHRNAIZIKEEDA-ZANVPECISA-N 297.380 1.887 0 50 CDAA CCC[C@@H]1SCCN1C(=O)c1ccn(C)c(=O)c1 118649897 HCAQDIGVTOAOPH-LBPRGKRZSA-N 266.366 1.701 0 50 CDAA CCc1n[nH]c(=O)c(C(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)c1CC 225468421 DPHMNBUSLUHFQD-GHMZBOCLSA-N 289.379 1.623 0 50 CDAA CCn1nccc1NC(=O)NC[C@H]1CCNCC1(F)F 415407413 FWZDVUYDGUAKSY-SECBINFHSA-N 287.314 1.269 0 50 CDAA Cn1c(=O)[nH]c2c3c(sc2c1=O)CC(C)(C)OC3 9065536 FFVJJSACSXIADL-UHFFFAOYSA-N 266.322 1.140 0 50 CDAA O=C(Nc1nncs1)N1CCCC[C@@H]1CCO 55327386 PARFKRVYCZMDNW-MRVPVSSYSA-N 256.331 1.307 0 50 CDAA CCCc1nnc(S)n1CC(=O)N[C@H](C)c1ccoc1 135175483 YHVXXZDRHBGURN-SECBINFHSA-N 294.380 1.990 0 50 CDAA COc1cc(NC(=O)CNC[C@H]2CCCO2)cc(OC)c1 65396526 CMPFVOAOUAHLPB-GFCCVEGCSA-N 294.351 1.411 0 50 CDAA Nc1cc(NCC2(O)CCCCC2)nc(N2CCCC2)n1 65409138 CDKMGUAYQPOQEA-UHFFFAOYSA-N 291.399 1.766 0 50 CDAA Cc1cccc([C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3)N(C)C)c1 65375380 YMXMKVQFRRYDOY-XHSDSOJGSA-N 287.407 1.561 0 50 CDAA CCn1nc(CNc2ccc(Br)cc2)[nH]c1=O 61720724 FZGCUGGPHLLUOV-UHFFFAOYSA-N 297.156 1.966 0 50 CDAA COc1ccc(-c2n[nH]cc2CN[C@H](C)CO)cc1 67946238 IGFYNJGWZRIFOL-SNVBAGLBSA-N 261.325 1.556 0 50 CDAA CNC(=O)c1ccccc1-c1cccc2c1O[C@H](CN)C2 67742164 SXEBHWPTIBKMOG-LBPRGKRZSA-N 282.343 1.975 0 50 CDAA Cc1csc(NC(=O)C2(n3cnnn3)CCCCC2)n1 36365282 ISAVMNVVFBKMDK-UHFFFAOYSA-N 292.368 1.736 0 50 CDAA N[C@@H]1CCN(S(=O)(=O)Cc2ccccc2Cl)C1 122719884 QSAHRIMFWDBNSE-SNVBAGLBSA-N 274.773 1.203 0 50 CDAA Cc1c(O)cccc1C(=O)N1CCOC[C@@H](CN(C)C)C1 216242956 SRFCCJHFZKSETF-ZDUSSCGKSA-N 292.379 1.351 0 50 CDAA C[C@]1(NCC(=O)O)CCN(CCCc2ccccc2)C1 328608396 YWJRPAXIXNBPBV-INIZCTEOSA-N 276.380 1.758 0 50 CDAA Cc1noc([C@H](N[C@@H]2CCO[C@H]2C)C2CCOCC2)n1 328622618 IODLDIFXHDWEEN-ZWKOPEQDSA-N 281.356 1.613 0 50 CDAA C[C@H](C[S@](C)=O)NC(=O)Nc1ccc(F)cn1 123004097 QFTSGPZTAGLOHD-IWEMQMMOSA-N 259.306 1.109 0 50 CDAA C[C@@](O)(CN1C(=O)C[C@@]2(CCSC2)C1=O)C(F)(F)F 253426858 YYBWMSFATIUBGL-NXEZZACHSA-N 297.298 1.182 0 50 CDAA NC(=O)N1CCCN(C(=O)[C@@H](F)CC2CCCCC2)CC1 253427579 CTUWWEOWJUPFGX-ZDUSSCGKSA-N 299.390 1.908 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(Cc2nc(C3CCCC3)no2)C1 331553536 JRDCJBDXSNFFFS-QWRGUYRKSA-N 294.355 1.852 0 50 CDAA COc1ccc(Cl)cc1CCNCCC(=O)O 257636783 DHYBPTJAVGXSPO-UHFFFAOYSA-N 257.717 1.955 0 50 CDAA Cc1ccc2cc(C(=O)NC[C@@H](C)c3nnn[nH]3)[nH]c2c1 153390083 DSWZLBBCZRRJMI-SECBINFHSA-N 284.323 1.523 0 50 CDAA CCOC(=O)c1c(CSc2cnn[nH]2)n[nH]c1C 521395067 BMOSNWMXGGJKKF-UHFFFAOYSA-N 267.314 1.305 0 50 CDAA CCCc1noc([C@H](C)N[C@@H]2CCN(C(C)=O)C[C@H]2C)n1 241969534 UXDFIYUWEUWTPH-NTZNESFSSA-N 294.399 1.930 0 50 CDAA O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cn[nH]c1 215602097 CGFGRJPKGWJGHS-UHFFFAOYSA-N 298.346 1.576 0 50 CDAA C[C@@H]1CCCN1C1CCN(C(=O)C2(O)CCC2)CC1 368930733 LQKSXTGRVXZQCX-GFCCVEGCSA-N 266.385 1.377 0 50 CDAA O=C(c1ncn[nH]1)N(Cc1ccncc1)C[C@@H]1CCCO1 215363348 XMXGNMVKDOREOU-LBPRGKRZSA-N 287.323 1.021 0 50 CDAA Cn1cnc2c(C(=O)N3CCO[C@H](C4CC4)C3)ccnc21 377224408 RDIWVTRBMQGXDD-LBPRGKRZSA-N 286.335 1.219 0 50 CDAA CCc1ccccc1OCC(=O)N1CCC[C@H](N)C1 157814266 QRTMVVBJDCNRBV-ZDUSSCGKSA-N 262.353 1.578 0 50 CDAA COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(=O)O 262353173 BVLQEDWLGUWIFN-GMTAPVOTSA-N 293.319 1.299 0 50 CDAA O=C(NC1(C(=O)O)CCC1)C1=Cc2ccccc2OC1 237919919 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1.160 0 50 CDAA c1coc(-c2nnn(Cc3cccc4ncnn34)n2)c1 1875345281 UKICXFABFSZQHE-UHFFFAOYSA-N 267.252 1.024 0 50 CDAA O=C(C[C@@H]1CNC[C@H]1O)NCc1coc2ccc(F)cc12 1875400789 MLCGISDBDZSQOI-NOZJJQNGSA-N 292.310 1.159 0 50 CDAA OCc1ccnc(NCc2cc(C(F)F)on2)n1 1343222995 IASRQTIYOQUUFI-UHFFFAOYSA-N 256.212 1.507 0 50 CDAA CCOC(=O)c1cnc(N2CCNC(C)(C)C2)nc1C 134297105 AJBQSAHPNLWIGI-UHFFFAOYSA-N 278.356 1.150 0 50 CDAA CC(C)(C)OC(=O)NCCc1nc(C(=O)O)c(N)s1 1772716120 QTHBYSYUPXANNC-UHFFFAOYSA-N 287.341 1.491 0 50 CDAA CCOc1cc([C@H](N)CS(C)(=O)=O)ccc1OC 95779321 BXUJVINGXQGNFD-SNVBAGLBSA-N 273.354 1.138 0 50 CDAA in-vitro O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1c(O)cccc1F 170599283 JFWFRDXQHCVFGT-RUMNANIHSA-N 279.311 1.668 0 50 CDAA Cn1c(S)nnc1CNC(=O)[C@H]1C[C@@H]1C1CCC1 170653229 HDVJUCPVTATPSO-BDAKNGLRSA-N 266.370 1.156 0 50 CDAA CCc1ccccc1CN1CCC[C@]1(COC)C(=O)NC 643829926 RMFNOAVPWACBCD-KRWDZBQOSA-N 290.407 1.976 0 50 CDAA O=[S@@](CCNCc1cccc2c1OCO2)C(F)(F)F 585116751 HHVKLJHUEUAEQT-IBGZPJMESA-N 295.282 1.773 0 50 CDAA c1ccc(-n2cnnc2CNCCC[C@H]2CCO2)cc1 585117785 XCGCFRFGIKRBBC-AWEZNQCLSA-N 272.352 1.926 0 50 CDAA CC(C)(C)c1n[nH]c(CN2CC[C@@H](n3cncn3)C2)n1 645001199 CVWVFBPUFFBAET-SNVBAGLBSA-N 275.360 1.141 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2ccoc2)C1(C)C 191755167 QWHRUDDWVAXUOO-SMDDNHRTSA-N 267.325 1.576 0 50 CDAA Cc1[nH]nc2ncc(NC(=O)[C@@H]3NCC3(C)C)cc12 648151608 VXGLBZKTDFNJCK-JTQLQIEISA-N 259.313 1.203 0 50 CDAA C[C@@](NC(=O)Cc1ccsc1)(C(N)=O)c1ccccc1 195182268 HCGXJFYBECDCSM-HNNXBMFYSA-N 288.372 1.808 0 50 CDAA O=C(O)[C@@H]1C[C@@H](NC(=O)C2(C(=O)O)CC2)c2ccccc21 653328917 OVODKEQSLYKHKU-GHMZBOCLSA-N 289.287 1.281 0 50 CDAA C[C@@H]1OCC[C@@]12CN(c1cc(CO)c(F)cn1)CCO2 663860954 SEOGZQWAWDHWPC-IINYFYTJSA-N 282.315 1.097 0 50 CDAA CCN(C[C@@H]1CCCCO1)C(=O)Cc1c(C)n[nH]c1C 1506404340 XAOBTWJXBTYKEW-ZDUSSCGKSA-N 279.384 1.987 0 50 CDAA CCc1nn(C)c(NC(=O)[C@@H](N)CCSC)c1CC 1506421815 VVSJTLBDNLXQLZ-JTQLQIEISA-N 284.429 1.564 0 50 CDAA Cn1ccnc1CCN1CCCN(Cc2ccccn2)CC1 1506429631 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CDAA C[C@H](NC(=O)c1ncccc1Br)[C@@H]1CCOC1 225409748 KZVNESIKFQFGMJ-DTWKUNHWSA-N 299.168 1.999 0 50 CDAA CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc[nH]n1 113073854 NQAJLBMSLPUALG-KOLCDFICSA-N 296.396 1.086 0 50 CDAA O=C(O)c1ccc(CNC(=O)C2(CF)CCOCC2)cc1 621532929 QQQFYENMOLCTGS-UHFFFAOYSA-N 295.310 1.767 0 50 CDAA CN1CCN(C(=O)c2cccs2)C[C@H]1c1ncc[nH]1 328629386 OUXVKVVMNANVMI-JTQLQIEISA-N 276.365 1.600 0 50 CDAA CC(C)C[C@]1(CO)CCCN1C(=O)CCc1cnccn1 331056845 LJVNYXJQNBRLBA-INIZCTEOSA-N 291.395 1.809 0 50 CDAA O=C(O)CCNC(=O)[C@H]1CCCN1Cc1ccccc1 238177179 IFLHFLFPEILSKZ-CYBMUJFWSA-N 276.336 1.242 0 50 CDAA C[C@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)CC2(CCC2)O1 335360212 RTHOKPBNZUNJFU-LBPRGKRZSA-N 291.395 1.868 0 50 CDAA Cc1cc2cc(CN3C[C@H](O)C[C@H]3CO)oc2cc1C 336004801 CCEUOBOJHDQVJP-UONOGXRCSA-N 275.348 1.977 0 50 CDAA COC(=O)c1n[nH]cc1NC(=O)c1ccc2cc[nH]c2c1 356872677 IZSXOTSKEMWMIA-UHFFFAOYSA-N 284.275 1.930 0 50 CDAA Cc1noc(C(C)C)c1C(=O)N1CCC(O)(C(=O)O)CC1 262480015 KJNUVSXXGKVMBG-UHFFFAOYSA-N 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285.413 1.001 0 50 CDAA CC(C)[C@H](O)C(=O)N(C)CCN(C)C1CCCC1 584889134 SRPARWBTVABWST-ZDUSSCGKSA-N 256.390 1.336 0 50 CDAA O=C(c1cncc(O)c1)N1CCC[C@@H](CN2CCCC2)C1 584900851 VSKGQNBVKMQLCZ-ZDUSSCGKSA-N 289.379 1.735 0 50 CDAA O=C(CC1CCCC1)NCCN1CCC[C@H](CO)C1 584884668 OYMTYQFQYNVDHO-AWEZNQCLSA-N 268.401 1.387 0 50 CDAA O=C1CCCCCN1CCc1ncnn1CC(F)(F)F 670452411 LKPMYZKANHMTLE-UHFFFAOYSA-N 290.289 1.786 0 50 CDAA CC(C)c1ccc(C(=O)N2CCN(C)C(=O)[C@@H]2C)c(O)n1 935492997 DRAWZTODFZSYHE-JTQLQIEISA-N 291.351 1.213 0 50 CDAA Cn1cc(C[C@H]2CCC[C@@H]2Nc2cc(N)ncn2)cn1 1548519450 BRDCISSENBLUIW-NEPJUHHUSA-N 272.356 1.616 0 50 CDAA CC[C@@H](C)CN1CCC(O)(c2ncnn2C)CC1 952883470 XRWSDCAKJPGKRY-LLVKDONJSA-N 252.362 1.145 0 50 CDAA Cc1occc1C(=O)N1CCCC[C@H]1Cc1nn[nH]n1 1875286125 MJYWDQMJZWTECY-JTQLQIEISA-N 275.312 1.339 0 50 CDAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc3c(c2)C(=O)OC3)cn1 1875378417 CQMMADRLMYWRDI-YJYMSZOUSA-N 299.330 1.354 0 50 CDAA CCc1ccc(C(=O)N[C@@](C)(COC)c2nn[nH]n2)cc1 1875324088 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O[C@]1(c2ccccn2)CCNC[C@H]1N1C[C@H]2CC[C@@H](C2)C1 1616036813 YOIWURUJJVCUEA-DIECFANBSA-N 287.407 1.363 0 50 CDAA C[C@H](NCc1cccn1C(F)F)c1nnnn1C 1621553320 KTINWACSJRLEDM-ZETCQYMHSA-N 256.260 1.258 0 50 CDAA C=CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1772718363 VHRPHFOGWQYPNC-UHFFFAOYSA-N 285.269 1.935 0 50 CDAA Cc1nnc2n1C[C@H](CNc1ncnc3sccc13)C2 1772707949 YZYWGHBDPFEYFU-VIFPVBQESA-N 286.364 1.876 0 50 CDAA CCc1ocnc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1 12754432 TXKIOGRRFBTIMJ-JTQLQIEISA-N 293.367 1.614 0 50 CDAA CCOC(=O)c1sc(N2CCOCC2)nc1C 13366026 PEMSACPPFJSKAG-UHFFFAOYSA-N 256.327 1.465 0 50 CDAA COC(=O)[C@@H]1Cc2[nH]cnc2CN1C(=O)C1CCCCC1 15707125 GBEYGXFPGMRCDT-ZDUSSCGKSA-N 291.351 1.416 0 50 CDAA c1cnc2ccc(CN3CCc4nncn4CC3)cc2c1 19744468 CICXGCWAUPVOMW-UHFFFAOYSA-N 279.347 1.885 0 50 CDAA O=C1c2ccccc2[C@]2(c3ccc(O)cc3)NCCN12 19862159 ZSGOJSHPDXCFJZ-MRXNPFEDSA-N 266.300 1.652 0 50 CDAA CO[C@H]1CN(C(=O)N2CCCC[C@H]2C)C[C@@H]1c1cnn[nH]1 1857528990 HLRYWGYXQOQIOY-WZRBSPASSA-N 293.371 1.213 0 50 CDAA CNC(=O)CCN1CCC[C@H](OCc2ccccc2F)C1 253419681 BANXTUBWTHSMQR-AWEZNQCLSA-N 294.370 1.943 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H](C2CC2)[C@@H](CO)C2CC2)n1 408519844 NOCKLXJCVOZEFD-ZFWWWQNUSA-N 291.395 1.991 0 50 CDAA COC(=O)c1cc(CN2CCC[C@H]([C@@H](C)O)C2)n(C)c1C 242302206 YQMFSWGTFMJDKR-OLZOCXBDSA-N 294.395 1.713 0 50 CDAA O=C(N[C@H](Cc1ccncc1)C(=O)O)C1CC=CC1 655602412 YFCBHORPGPDCOX-GFCCVEGCSA-N 260.293 1.160 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCOC2)c2ccccc21 133876879 PJKYBXWICWPTCC-GXSJLCMTSA-N 261.277 1.238 0 50 CDAA O=C(NCc1cccc(F)c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 152000798 ZQTJZRMHQBZSMO-UPJWGTAASA-N 264.300 1.945 0 50 CDAA Cc1nccn1C[C@@H]1CCCN1C(=O)CC1(CN)CC1 577176124 OTQILZSBBSLXKJ-ZDUSSCGKSA-N 276.384 1.312 0 50 CDAA CS(=O)(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 583650969 CEPAWJIHVCYFEK-UHFFFAOYSA-N 293.392 1.777 0 50 CDAA O=C(O)c1ccc(CCNS(=O)(=O)c2ccoc2)cc1 583985648 KMNCTZZQCUPWOY-UHFFFAOYSA-N 295.316 1.499 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)c2ccn(C)c(=O)c2)cn1 1857692426 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CCCCS(=O)(=O)N1CC[C@@H](c2ncc[nH]2)C1 404279761 OZPWSARWRHYTJG-SNVBAGLBSA-N 257.359 1.329 0 50 CDAA OC[C@@H]1COCCN(Cc2c(Cl)cncc2Cl)C1 77408209 WBCBAOMNWOOMHJ-SECBINFHSA-N 291.178 1.829 0 50 CDAA C[C@@H](Cc1cccnc1)NC(=O)CCCC(=O)O 426394492 FPBBPCKLDRQHHV-JTQLQIEISA-N 250.298 1.384 0 50 CDAA O=C1NCCN(Cc2cnns2)[C@H]1c1cccs1 331650537 QRQJPKBKKYLSQZ-JTQLQIEISA-N 280.378 1.273 0 50 CDAA Cn1cncc1C(=O)N(CC(=O)O)C1CCCCC1 630130356 QQHXVMIIOWSVBS-UHFFFAOYSA-N 265.313 1.280 0 50 CDAA Cc1cccn2c(=O)cc(N3CCO[C@@H](CF)C3)nc12 2325789583 ZSTGPYYWYZPNPR-NSHDSACASA-N 277.299 1.178 0 50 CDAA Cc1noc(C)c1N(C)C(=O)c1cnc2ccnn2c1C 2325790018 FSHJLYCCXGVTRP-UHFFFAOYSA-N 285.307 1.919 0 50 CDAA C[C@H](NC1=NC[C@H]2CC[C@@H](C)CN12)c1ccn(C)n1 2325801472 KHBQEKXVJALPPL-GRYCIOLGSA-N 261.373 1.541 0 50 CDAA C[C@@]12CC[C@@](CN[C@](C)(C(N)=O)c3ccccc3)(CO1)C2 2325809266 VYRIMXBZZNFHDA-YESZJQIVSA-N 288.391 1.936 0 50 CDAA COCCNc1cc(C(=O)NC[C@H]2CCCO2)ccn1 244420181 YTCJSGCNEZPEKH-GFCCVEGCSA-N 279.340 1.049 0 50 CDAA O=c1c2c3c(sc2ncn1CCO)CCCC3 151073 ZJSYNRMBJGNYFZ-UHFFFAOYSA-N 250.323 1.329 0 50 CDAA CC[C@@H](Sc1nncn1C)C(=O)Nc1cc(C)on1 279980 SPRBKKOFSATLHN-MRVPVSSYSA-N 281.341 1.621 0 50 CDAA COc1ccc(OC)c(S(=O)(=O)n2ccnc2)c1 297392 BLFUBMUXOTXSND-UHFFFAOYSA-N 268.294 1.137 0 50 CDAA COc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 310898 OLGUWBFTXSZONW-LLVKDONJSA-N 276.336 1.891 0 50 CDAA aggregator CCOc1ccc(C(=O)NC(=S)NCCOC)cc1 2865629 DBHIYKWAJWVSTO-UHFFFAOYSA-N 282.365 1.336 0 50 CDAA Cc1nc(-c2nnc3n2[C@@H](C)C(=O)N(C2CC2)C3)co1 2356146763 ULIMIRVHBINJAB-ZETCQYMHSA-N 273.296 1.307 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@@H]1C 6700296 NZVBCPQDVHOCPZ-VIFPVBQESA-N 257.359 1.292 0 50 CDAA COc1ccccc1N1CCC(NC(=O)[C@@H](C)OC)CC1 138584938 CEKHQASXVDMUBH-GFCCVEGCSA-N 292.379 1.815 0 50 CDAA O=C(O)CC[C@H]1CCCCN1C(=O)c1cn[nH]c1 50922111 DCQHCHRTIVKFRG-SNVBAGLBSA-N 251.286 1.269 0 50 CDAA Cc1ocnc1-c1noc(-c2n[nH]c(=O)c3ccccc23)n1 225556552 DDEZJFCDWWQIMA-UHFFFAOYSA-N 295.258 1.937 0 50 CDAA 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O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1c(F)cc(F)cc1F 178142121 FTWCOPJWAHXMGR-MRVPVSSYSA-N 298.264 1.597 0 50 CDAA NC[C@H]1CCN(C(=O)CCn2cnc3ccccc32)C1 178535542 HLKUVMAYALSXDB-GFCCVEGCSA-N 272.352 1.234 0 50 CDAA CCNc1nc(C(=O)N2CCOC[C@@H]2CCOC)cs1 291306917 XGSIIIZCAFDHDB-JTQLQIEISA-N 299.396 1.452 0 50 CDAA CCc1cc(CN2CCC3(CC2)OCCC[C@@H]3O)on1 91872080 NCTPGIPZEOIOOI-AWEZNQCLSA-N 280.368 1.743 0 50 CDAA C[C@H](NC(=O)[C@@H]1COCCN1)[C@@H](C)C1CCCCC1 161586943 QKEMOOOTKVUYBQ-DYEKYZERSA-N 268.401 1.696 0 50 CDAA Cc1cc(C)cc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)c1 239309969 HZGCKDDXNQCAME-AAVRWANBSA-N 287.315 1.896 0 50 CDAA COC[C@H]1CCCN1C(=O)Cn1nc(C)c(C)c1C 97660380 BTRDYXRUIBRLRQ-CYBMUJFWSA-N 265.357 1.446 0 50 CDAA Cn1nc(C(=O)N2CCCC[C@H]2c2cccnc2)ccc1=O 97785361 GCJDMFTZSGOXQG-AWEZNQCLSA-N 298.346 1.543 0 50 CDAA CCCN1CCC(CC(=O)N[C@@H](C)c2ncnn2C)CC1 95505021 HVNLFKZINRQLQF-LBPRGKRZSA-N 293.415 1.504 0 50 CDAA CN1CCc2ccc(NC(=O)NCC3(C)COC3)cc21 180292902 SBLBLXUZPGDWAB-UHFFFAOYSA-N 275.352 1.837 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCC(=O)N2)CC(C)(C)C1 619138154 DVYKHCYXLRYASG-UTUOFQBUSA-N 266.385 1.844 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)CCN1C(=O)OCc1ccccc1 96024124 FTYFCFPNHFHPBH-RYUDHWBXSA-N 279.292 1.233 0 50 CDAA Nc1nc(-c2ccc(CO)cc2)cc(N2CCOCC2)n1 97694646 ODIGZVXRGVLQOJ-UHFFFAOYSA-N 286.335 1.055 0 50 CDAA COCCc1noc([C@H](C)Nc2nc(N)ncc2C)n1 91656352 OPHODDRDTIFFFR-QMMMGPOBSA-N 278.316 1.112 0 50 CDAA C[C@@H](c1ccncn1)N(C)Cc1ccc(C(=O)N(C)C)o1 244787958 QGYRKUBFLXHMHX-NSHDSACASA-N 288.351 1.964 0 50 CDAA CC[C@H](NC(=O)Cc1ccc(N(C)C)cc1)[C@H]1C[C@H](O)C1 244673919 HYAXFVQCELKQPE-BPUTZDHNSA-N 290.407 1.961 0 50 CDAA O=c1c(Br)cccn1-c1ccccn1 255190763 ZGWCKLUGOIEJIA-UHFFFAOYSA-N 251.083 1.995 0 50 CDAA CC(C)OCC(=O)NCC1(N2CCN(C)CC2)CCCC1 534583372 IRCTWFQTTDKNRM-UHFFFAOYSA-N 297.443 1.088 0 50 CDAA C[C@]1(C(=O)NCCCc2nccs2)CCCO1 356895738 QMGGDFMWZUDGMK-GFCCVEGCSA-N 254.355 1.761 0 50 CDAA CCn1ncc(CNC(=O)C[C@H](C)n2cccn2)c1C 534575215 IBZNRRLEXHFDJA-NSHDSACASA-N 275.356 1.675 0 50 CDAA CCC[C@@H](NC(=O)C(=O)c1cccn1C)c1nccn1C 534592181 LQQCQKOVBKRZLH-LLVKDONJSA-N 288.351 1.599 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cncc(F)c1 613659999 GMUMFBQSWQTIEX-VXGBXAGGSA-N 251.305 1.433 0 50 CDAA CSc1ccc(NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 299797737 SMICCIBGUVLGCU-STQMWFEESA-N 295.408 1.547 0 50 CDAA Cc1nccn1CC1CCN([C@H](C)C(=O)N(C)C)CC1 299779811 RTCCQBRMWCDXII-GFCCVEGCSA-N 278.400 1.380 0 50 CDAA Cc1cc(F)ccc1NC(=O)NC[C@]1(O)CCCNC1 299781261 VQYGFYGWUKPUJV-AWEZNQCLSA-N 281.331 1.370 0 50 CDAA CC(C)(C)c1cc(CNC(=O)CCC(=O)O)[nH]n1 299787232 SDRGSUXENSHHFT-UHFFFAOYSA-N 253.302 1.188 0 50 CDAA CC(C)N1CCC[C@@H](C(=O)NCCC2(O)CCCC2)C1 827733346 WXTAJQXKUAKIHL-CQSZACIVSA-N 282.428 1.918 0 50 CDAA CC(C)(O)Cn1ncnc1-c1cnc(-c2ccccn2)nc1 821528980 SPKXMOSOPYSQDU-UHFFFAOYSA-N 296.334 1.568 0 50 CDAA Cc1cc(C)c(CN[C@H](C)CN(C)CCO)cn1 828760188 ZBKVHPBDSDJPMV-CYBMUJFWSA-N 251.374 1.101 0 50 CDAA COCC[C@@H]1CCCN(Cc2cnc(OC)nc2)C1 824384109 GTSAKMFJYCGIFA-LBPRGKRZSA-N 265.357 1.734 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269.316 1.092 0 50 CDAA Cc1occc1C(=O)NC1(c2ncccn2)CCOCC1 886936255 QPCJQHJXBNJERI-UHFFFAOYSA-N 287.319 1.814 0 50 CDAA CC1=C(C)C[C@@](C)(C(=O)Nc2cnn(CC(N)=O)c2)CC1 1333325563 CANPSJMOLDJQNK-HNNXBMFYSA-N 290.367 1.834 0 50 CDAA CCN1CCN(C(=O)c2cc(F)ccc2F)CC1 16626286 HXZWBZFYBSNGSJ-UHFFFAOYSA-N 254.280 1.743 0 50 CDAA C[C@@H]1OCC[C@H]1Nc1ccc2c(c1)CN(CC(N)=O)CC2 408515064 CQMUIGKRWFDLAX-XHDPSFHLSA-N 289.379 1.119 0 50 CDAA CCOC(=O)C1(C(=O)OCC)CN(Cc2ccccc2)C1 75824273 KGNAKGKJEBUHRV-UHFFFAOYSA-N 291.347 1.615 0 50 CDAA in-vitro C[C@@H](NC(=O)c1ccnc(C2CC2)n1)c1nn(C)cc1O 1363043067 SDVCFTVKZSGVKX-MRVPVSSYSA-N 287.323 1.284 0 50 CDAA O=C(N[C@@H]1CCSc2c(F)cccc21)[C@H]1C[C@H](O)CN1 277559534 NECWZFMNDSWACM-XXILOJSOSA-N 296.367 1.202 0 50 CDAA Cc1cc(S(=O)(=O)N[C@@H]2CCCN(C)C2)sc1C 170591575 QKRLJHARMJKHGH-LLVKDONJSA-N 288.438 1.737 0 50 CDAA CCc1cncc(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1 279133748 XIUIMGNWIOHRKQ-ZDUSSCGKSA-N 289.379 1.773 0 50 CDAA O=C(NCc1nc2cccnc2[nH]1)c1ccc(Cl)cn1 170619101 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644408583 UHCNSJBEFYAEDG-CYBMUJFWSA-N 294.395 1.056 0 50 CDAA COc1ncncc1CN1CCC[C@@H]1[C@H]1CCCN1C 648007862 DIQZMHZZPYRCPW-ZIAGYGMSSA-N 276.384 1.544 0 50 CDAA CC(C)(C)c1nc(=NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)s[nH]1 650026582 MZSFVRKATVAJLV-HLTSFMKQSA-N 296.396 1.699 0 50 CDAA CC1(C)CN(C(=O)[C@]2(O)CCOC2)[C@@H]1c1ccncc1 563815231 VMPYXGWBVBCMPO-DOMZBBRYSA-N 276.336 1.143 0 50 CDAA NC(=O)c1cccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 195115009 BCZLBHRPILLPDH-CYBMUJFWSA-N 298.346 1.876 0 50 CDAA CCOC(C)(C)CNC(=O)NC[C@H]1CCCS1 195571602 ZGKZJZMSQUESNO-SNVBAGLBSA-N 260.403 1.996 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCOC[C@@]1(C)CC 901305126 TYYSIAYPEMEALR-CQSZACIVSA-N 268.357 1.048 0 50 CDAA CC(=O)NC1CN(Cc2ccccc2-c2ccnn2C)C1 570537628 BIRSGMFZYXSWOQ-UHFFFAOYSA-N 284.363 1.407 0 50 CDAA C[C@@H](CN(C)CCO)NCCn1ccc2ccccc21 1506412295 BACUWQAYXAUVOD-AWEZNQCLSA-N 275.396 1.544 0 50 CDAA Nc1nc(NCc2ccc3nsnc3c2)cc2nncn12 1529160154 YNTRQBRTDGWGPI-UHFFFAOYSA-N 298.335 1.323 0 50 CDAA C[C@H]1CCCCN1C1CN(c2n[nH]c(=N)s2)C1 1857678049 RHRLSKOYQALXIF-QMMMGPOBSA-N 253.375 1.014 0 50 CDAA O=C(c1cncc(Br)c1)N1CCOCC1 121087 DGXAEBFHFVGRSH-UHFFFAOYSA-N 271.114 1.317 0 50 CDAA in-vitro CC[C@@H](C)CC(=O)N1CCN([C@@H](C)CC(=O)O)CC1 630220051 LNHLIYIGUBUWTI-NEPJUHHUSA-N 270.373 1.430 0 50 CDAA COC(=O)[C@]12CCNC[C@@H]1N(C(=O)OC(C)(C)C)CC2 238801069 XNWFUTXQCYIPOV-HZMBPMFUSA-N 284.356 1.149 0 50 CDAA Cc1c(Br)c(=O)c(C(=O)O)cn1C1CC1 148811943 MZTMMQOZSYPHIH-UHFFFAOYSA-N 272.098 1.952 0 50 CDAA C[C@H]1COC(C)(C)CN1C(=O)c1ncn(C(C)(C)C)n1 360489009 KZQMAYBEQXPNCZ-JTQLQIEISA-N 280.372 1.673 0 50 CDAA COc1ccc(CNC(=O)C2(O)CCCC2)cc1C(=O)O 1615577537 NKUWEVMJWIWZOH-UHFFFAOYSA-N 293.319 1.315 0 50 CDAA Cc1cc(C)c(CC(=O)N[C@@]23CCC[C@@H]2NCC3)c(O)n1 1615555081 XULLYEURSJDTEW-XJKSGUPXSA-N 289.379 1.347 0 50 CDAA Cc1n[nH]cc1CN(C)C[C@H]1CCC(=O)N(C(C)C)C1 1775982246 NBKSPFBHFHIRMT-CYBMUJFWSA-N 278.400 1.797 0 50 CDAA Cc1nc(C[C@H]2CC2(F)F)n(-c2cnn(C)c2)n1 1772808730 ABGKLCGAWMUKJJ-QMMMGPOBSA-N 253.256 1.507 0 50 CDAA CC(=O)Nc1ccc(C(=O)CSc2ncn[nH]2)cc1 5685864 OOEHYAGOYJMCHF-UHFFFAOYSA-N 276.321 1.738 0 50 CDAA CCCNC[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O 11953980 PJPLZUMXNKIDAF-QGZVFWFLSA-N 290.407 1.848 0 50 CDAA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccco1 13124543 JROSUIUQHLUASF-SNVBAGLBSA-N 260.253 1.333 0 50 CDAA CCCN1CCN(C(=O)c2cc(CC)nn2C)CCC1=O 14958590 ZKGQLIRFNNAZFG-UHFFFAOYSA-N 292.383 1.067 0 50 CDAA Cc1cc(NC[C@@H](O)c2ccccc2)c2nncn2n1 16623485 OYNWHTGJZVLJHH-CYBMUJFWSA-N 269.308 1.578 0 50 CDAA CCc1n[nH]c(C(=O)NCc2ccc3c(c2)OCO3)c1C 19771198 PKWRLMFQWUMFNS-UHFFFAOYSA-N 287.319 1.939 0 50 CDAA CN1CC[C@H](n2ccnc2-c2ccc(N(C)C)nc2)C1=O 1857697564 DJQGFVNRAXXVNM-LBPRGKRZSA-N 285.351 1.414 0 50 CDAA CCCN1CCC[C@@H](n2ccnc2[C@@H]2[C@H]3CNC[C@H]32)C1 1857723278 YESHGYVFKKTMEB-KBXIAJHMSA-N 274.412 1.863 0 50 CDAA Cc1nc(-c2cc(O)cc(C(=O)O)c2)n([C@@H]2CCOC2)n1 1857736174 YOSCXMGSCUXQRE-LLVKDONJSA-N 289.291 1.619 0 50 CDAA C[C@@]1(c2cccc(Br)c2)NC(=O)NC1=O 1684232 GWKFINAXYHAEHZ-JTQLQIEISA-N 269.098 1.504 0 50 CDAA in-vitro CO[C@@H]1CN(c2ccnc(C3CC3)n2)C[C@H]1c1cnn[nH]1 621336923 DGTFTLKXGCMEGT-CMPLNLGQSA-N 286.339 1.091 0 50 CDAA CC1(C)CNCC[C@H](NC(=O)c2cccc(C(=O)O)c2)C1 630576545 KGMGACDTIDYGAR-ZDUSSCGKSA-N 290.363 1.893 0 50 CDAA COc1ccc(NC(=O)NC[C@H]2CCCO2)c(C)n1 124578760 VKZPDGIDVUJTNW-SNVBAGLBSA-N 265.313 1.699 0 50 CDAA CC(C)[C@H](N)C(=O)N1CCC(c2nncn2C2CC2)CC1 236733242 VVGQOWJSWPIGFO-ZDUSSCGKSA-N 291.399 1.302 0 50 CDAA N[C@H]1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 237851284 BDRUMZAKXWFQPI-ZFWWWQNUSA-N 290.363 1.418 0 50 CDAA O=S(=O)(NC[C@@H]1CCCNC1)c1cccc(F)c1F 237806522 XGTFKBOKYIJXAW-SECBINFHSA-N 290.335 1.243 0 50 CDAA COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cc(F)ccc1F 241277729 LIRYRCDIBYXARI-JWKOBGCHSA-N 283.274 1.951 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1ccnc(C(C)C)n1 248198391 SBRWUHPRDXSRAJ-OLZOCXBDSA-N 293.367 1.098 0 50 CDAA COc1cc(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)ccc1F 252487622 ZQERNEROSJUXQL-LFIJZLDSSA-N 293.338 1.971 0 50 CDAA CCN(CCCN(C)c1ccccc1)CCS(C)(=O)=O 585089073 BFNBNZWXDOIKPF-UHFFFAOYSA-N 298.452 1.879 0 50 CDAA CNc1cc(N2CCC[C@H]2CNc2cnccn2)ncn1 266378826 MTBMNLJUSJQLFP-NSHDSACASA-N 285.355 1.389 0 50 CDAA COc1cccn2ncc(C(=O)N[C@@H]3CCCSC3)c12 934151550 AXVQLYKWECIQQM-SNVBAGLBSA-N 291.376 1.968 0 50 CDAA COc1cc(CN[C@@H]2CCCOC2)cc2c1OCCO2 109545843 HCMTVWRWKIUSGZ-GFCCVEGCSA-N 279.336 1.735 0 50 CDAA CNS(=O)(=O)c1cc(NCC2(C)COC2)ccc1C 227522635 SNHNKPWOXHZUOO-UHFFFAOYSA-N 284.381 1.352 0 50 CDAA C[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H](C)O1 13322468 XBCVMFJMXMBDPY-BETUJISGSA-N 268.401 1.935 0 50 CDAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)N1CCC(O)CC1 253411659 XMUGCDFPVPOERC-NTZNESFSSA-N 254.374 1.977 0 50 CDAA CO[C@@H]1CNC[C@H]1NC(=O)c1ccc(Cl)s1 168220337 FGKZKIVTRNULQO-RNFRBKRXSA-N 260.746 1.118 0 50 CDAA COCCNC(=O)CCc1ccc2c(c1)OCO2 62064941 RNESXMGAQUONPR-UHFFFAOYSA-N 251.282 1.111 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2cnc3ccccc3n2)C1 311832947 PIYAQTDQZFXREN-QWRGUYRKSA-N 259.309 1.216 0 50 CDAA CN(Cc1cccc(O)c1)C(=O)CCN1CCCC1 584884387 RARXNRZXAZZJDW-UHFFFAOYSA-N 262.353 1.837 0 50 CDAA C[C@@H](c1ccncc1)N(C)C(=O)c1cnc(N)s1 720144809 CJECAIVLUOQUAL-QMMMGPOBSA-N 262.338 1.954 0 50 CDAA Cc1nnc(N2CCC3(CN(C)C3)C2)c(C#N)c1C 398652516 BLSOSUWLSVXOMM-UHFFFAOYSA-N 257.341 1.107 0 50 CDAA Cc1nnc(C)n1NC(=O)NC(=O)c1cccc(Cl)c1 1425150 VTIUBSRQTUBCOB-UHFFFAOYSA-N 293.714 1.642 0 50 CDAA CO[C@H]1C[C@H](NC(=O)/C=C/C(C)(C)N)C12CCC2 1875279346 TUAWGIKXFWOALS-VAZREYJMSA-N 252.358 1.354 0 50 CDAA Cc1cnccc1/C=C/C(=O)N[C@H]1C[C@H](Cn2cncn2)C1 2325782184 BSAWCEFATCLCKS-AXEKWBSNSA-N 297.362 1.590 0 50 CDAA O=C(O)C1CCC(NCCn2nnc3c2CCCC3)CC1 2325788776 CJQPGLYRZHCORX-UHFFFAOYSA-N 292.383 1.390 0 50 CDAA CCO[C@@H](C)c1nccn1Cc1n[nH]c2c1COCC2 901530297 QTAKZOKQBMRJEU-JTQLQIEISA-N 276.340 1.825 0 50 CDAA C[C@H]1C[C@H](C)CN(C(=O)c2cn3cc(CN)ccc3n2)C1 911917197 NQGCCWPRFBPDJJ-RYUDHWBXSA-N 286.379 1.911 0 50 CDAA COC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 110618621 TYLQKQOETFMNHF-KGLIPLIRSA-N 268.401 1.744 0 50 CDAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCC(F)(F)F)OC2=O 525663 PMZGZVHALWRQHW-MNOVXSKESA-N 279.258 1.787 0 50 CDAA Cc1c(Cl)cccc1NC(=O)CSc1nncn1N 2508676 AIPGPHKWXJVJGB-UHFFFAOYSA-N 297.771 1.685 0 50 CDAA Cc1nc2ccnn2c(NC[C@@H]2Cc3nnc(C)n3C2)c1C 2356143288 BLPRIANZDVODAO-LBPRGKRZSA-N 297.366 1.530 0 50 CDAA O=C1COC2(CCN(c3nccc4ncccc34)CC2)CN1 2356160221 IZBDISSFEWPBPF-UHFFFAOYSA-N 298.346 1.115 0 50 CDAA O=S(=O)(Cc1ccno1)N(C[C@@H]1CCOC1)C1CC1 1365031994 LWVKBYXTRLNYAX-JTQLQIEISA-N 286.353 1.005 0 50 CDAA Cc1cc(C)cc(NS(=O)(=O)N2CCOCC2)c1 4839540 AIMPVCJDLLKGON-UHFFFAOYSA-N 270.354 1.292 0 50 CDAA NS(=O)(=O)c1cccc2c(O)c(N=O)ccc12 4977257 VBOBBFVRJYIRHW-UHFFFAOYSA-N 252.251 1.591 0 50 CDAA COc1ccc([C@H](CC(=O)O)C(=O)O)cc1OC 4989610 GYTBTYAZXWMNGB-QMMMGPOBSA-N 254.238 1.347 0 50 CDAA CC1(C)C(=O)OC(=CNCCc2ccc(O)cc2)OC1=O 6201900 LMBLGMMMXIMCOL-UHFFFAOYSA-N 291.303 1.449 0 50 CDAA Cc1nsc(NCCNC(=O)c2ccccc2N)n1 225532382 VFMUGHOQRTZREQ-UHFFFAOYSA-N 277.353 1.271 0 50 CDAA CCOc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 9087473 HRTJVCUWYSKTTP-JTQLQIEISA-N 293.348 1.580 0 50 CDAA COc1ccc(-c2cncc(C(N)=O)c2)c(OC)c1OC 20536988 AEZHXCZZUSVHNR-UHFFFAOYSA-N 288.303 1.873 0 50 CDAA O=C(CCNC(=O)N1CCOCC1)Nc1ccccc1 113365963 ZBQPOOJRGPKEHN-UHFFFAOYSA-N 277.324 1.057 0 50 CDAA Cc1nc(CCNC(=O)c2ccc(=O)n(C)c2)sc1C 65408527 BYFPHPKAEBQJIM-UHFFFAOYSA-N 291.376 1.431 0 50 CDAA Cc1cccc(C(C)C)c1NC(=O)CN(C)S(C)(=O)=O 22606660 OGLAQPQTRSUBQA-UHFFFAOYSA-N 298.408 1.948 0 50 CDAA Cc1noc(C)c1Cc1n[nH]c(=O)n1-c1c(C)noc1C 65462588 HZJQAYSOJKOSOI-UHFFFAOYSA-N 289.295 1.361 0 50 CDAA CN1CCC[C@@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 229168990 YMVVHUHOEPBQHH-CABCVRRESA-N 275.396 1.500 0 50 CDAA Cc1[nH]c2ccccc2c1C(=O)Cn1ncsc1=O 155198923 ZHOJZWXNSOTAHW-UHFFFAOYSA-N 273.317 1.977 0 50 CDAA NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 229476879 UTHSFALKCBQUHP-UKRRQHHQSA-N 299.378 1.217 0 50 CDAA CCCN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C1=O 488840 QVVACRVHGCNTKR-OAHLLOKOSA-N 297.358 1.673 0 50 CDAA biogenic Cc1nc(C(C)C)sc1C(=O)N1CCO[C@@H](CN)C1 67908002 NBCRPJJHWJPYCO-JTQLQIEISA-N 283.397 1.375 0 50 CDAA CCn1cc(C(=O)Nc2ccc(C(=O)O)cc2)cn1 1002839 FUNJJNPPAXSNMD-UHFFFAOYSA-N 259.265 1.854 0 50 CDAA O=c1sc2ccccc2c(=O)n1CCn1cccn1 358850294 RYUAOBVNJPNBIY-UHFFFAOYSA-N 273.317 1.320 0 50 CDAA CCc1nc(C)cc(Sc2nnnn2C2CC2)n1 253415403 GOXSPALMPVFCRZ-UHFFFAOYSA-N 262.342 1.820 0 50 CDAA Cc1cnn(C[C@H]2CN(c3ccc(F)cn3)CCO2)c1 253415512 NSCKCMNHAZTVGR-CYBMUJFWSA-N 276.315 1.631 0 50 CDAA OCC1(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)COC1 121085840 KANMKIHTKLQCQH-FZMZJTMJSA-N 299.317 1.081 0 50 CDAA O=C(O)C1(n2ccnc2)CCN(c2nccs2)CC1 72430061 XBBPCBVBTMFSCK-UHFFFAOYSA-N 278.337 1.420 0 50 CDAA CCCCS(=O)(=O)Nc1cnc2c(c1)COCC2 365800617 YWJCLFDVTCSMNA-UHFFFAOYSA-N 270.354 1.696 0 50 CDAA OC1(c2nc([C@H]3CCCO3)no2)Cc2ccccc2C1 363849394 GSDIZEDHXDZPMH-GFCCVEGCSA-N 272.304 1.908 0 50 CDAA Cc1cccc(CN2CCN(C[C@@H]3CCNC3)CC2)c1 72151326 ZNGJVWZAWQMARB-QGZVFWFLSA-N 273.424 1.722 0 50 CDAA CC(=O)N1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C 34472364 FECARJHVTMSYSJ-CKYFFXLPSA-N 257.355 1.373 0 50 CDAA O=c1c2cccnc2ncn1Cc1ccc2nsnc2c1 32587001 KAAPIUHEXYRDGS-UHFFFAOYSA-N 295.327 1.845 0 50 CDAA CC(C)(C)OC(=O)Nc1nn2cccnc2c1C(=O)O 79062316 YJHHNBKLVFDPJO-UHFFFAOYSA-N 278.268 1.775 0 50 CDAA CSc1ncc(C(=O)N2CCN3CCC[C@H]3C2)cn1 219632013 NFYOTUCAWMJVEN-NSHDSACASA-N 278.381 1.119 0 50 CDAA O=c1[nH]c(COc2ccccc2Cl)nc2c1CCNC2 77524034 LNQBZQZSMBTFPZ-UHFFFAOYSA-N 291.738 1.648 0 50 CDAA CN1[C@H]2CC[C@H]1CN(c1cn[nH]c(=O)c1Cl)CC2 241383487 MVRNNWSUFPVBEV-IUCAKERBSA-N 268.748 1.096 0 50 CDAA COc1ccc(CCCC(=O)N2CC[C@@H](C(=O)O)C2)cc1 237199701 KWTNTFVPCYULCX-CYBMUJFWSA-N 291.347 1.951 0 50 CDAA CCS(=O)(=O)NCCCN[C@@H]1C[C@@H](C)C[C@@H](C)C1 240786064 HZYAOINMQVEPOC-ITGUQSILSA-N 276.446 1.730 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2nc(C)c(C)o2)C1 284523938 GAXBFTURLRKTAN-MNOVXSKESA-N 277.328 1.372 0 50 CDAA Cc1nonc1C(=O)N1CCCC[C@H]1CCN(C)C 72458447 YFYBYUANKLRTIL-NSHDSACASA-N 266.345 1.324 0 50 CDAA CCc1occc1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 334080104 QNMMUNJWQLNDAD-MFKMUULPSA-N 294.351 1.208 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)nc1C 334062866 ZTXXFLKBXZUQEE-NSHDSACASA-N 270.336 1.709 0 50 CDAA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1c[nH]c(C)n1 286785779 JMWNDDJHNCXYLE-FPMFFAJLSA-N 293.367 1.374 0 50 CDAA Cc1cc(CC(=O)N2CCC(c3cc[nH]n3)CC2)n(C)n1 335544430 DDOYFKHGTKCNSO-UHFFFAOYSA-N 287.367 1.400 0 50 CDAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)CCc1ccccc1 131793575 IIJJSHKAPPXEAO-JSGCOSHPSA-N 282.409 1.371 0 50 CDAA N[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 132514403 SLWXDPGKEAJMJV-LLVKDONJSA-N 290.754 1.903 0 50 CDAA C[C@@H](CCn1cccn1)N1CCC2(CCNCC2)C1 426661968 GKWRWPLZIIZCOX-AWEZNQCLSA-N 262.401 1.737 0 50 CDAA COCC[C@@H]1COCCN1C(=O)[C@H](C)Oc1cccnc1 291296114 WDPQKMHCNQJLMF-QWHCGFSZSA-N 294.351 1.113 0 50 CDAA O=C(O)[C@@H]1CCCN1Cc1cnc(N2CCCC2)s1 220311090 VFIFMBNVQRZHII-NSHDSACASA-N 281.381 1.792 0 50 CDAA COc1ccc(C(=O)N2CCCC[C@]2(C)C(=O)O)o1 426488259 NNCWSAFEJHIDFC-CYBMUJFWSA-N 267.281 1.758 0 50 CDAA O=c1c(I)c[nH]c2ccncc12 230094919 RPHOYZBKDSHDFP-UHFFFAOYSA-N 272.045 1.528 0 50 CDAA C[C@H](Cn1cccn1)NC(=O)N(C)CC1(CO)CCC1 426406059 IJCBOBXOIULARA-GFCCVEGCSA-N 280.372 1.076 0 50 CDAA O=C(O)[C@H]1CCN1c1nccc(-c2ccccn2)n1 97813620 MSEPRVYUPVXTJM-LLVKDONJSA-N 256.265 1.202 0 50 CDAA C[C@H](CN1CCCC1)C(=O)N1CCC(C)(C(=O)O)CC1 426501907 RVRHKPILGHCCAU-GFCCVEGCSA-N 282.384 1.432 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)N(C)CCN(C)C)c1 426431713 DBTJJGVKINAQRZ-UHFFFAOYSA-N 280.324 1.027 0 50 CDAA CCc1cnc(N2CCC[C@@H](CN3CCOCC3)C2)nc1 95386665 ALRGCLVFEODHPK-HNNXBMFYSA-N 290.411 1.588 0 50 CDAA Cc1cccn2c(-c3nc4c([nH]3)CCCNC4=O)cnc12 95509587 ZINFIJXPYFFBGC-UHFFFAOYSA-N 281.319 1.709 0 50 CDAA c1cnnc(-c2noc(COC[C@H]3CCCO3)n2)c1 91563223 BFSCCXWLECPORF-SECBINFHSA-N 262.269 1.222 0 50 CDAA CCn1cnnc1Cn1c(=O)c(C)nc2ccccc21 95389007 LHQXTEFTRDYLJJ-UHFFFAOYSA-N 269.308 1.365 0 50 CDAA Cn1nccc1CCNC(=O)[C@@H]1CCOc2ccccc2C1 95507565 RLHQWQQXAPHTDO-CQSZACIVSA-N 299.374 1.720 0 50 CDAA CS[C@@H](C)CNC(=O)N1CCCC[C@@H]1CCO 180771710 HVUFZRQWVOGVOU-WDEREUQCSA-N 260.403 1.684 0 50 CDAA Cc1cc(C(=O)NC2CN(C(C)C)C2)c2n[nH]cc2c1 297197484 VTRPCXMXMBLZLB-UHFFFAOYSA-N 272.352 1.694 0 50 CDAA C[C@@]12[C@H]3[C@H]4[C@H]5[C@@H]3[C@H]1[C@@H]5n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]42 253589951 AOQAVNNTXFWYRQ-QHJRNSAISA-N 293.326 1.038 0 50 CDAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)O)C2)c1 299742170 IFQJUOVNRFIXLI-FPMFFAJLSA-N 289.331 1.732 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N2CC(=O)NCC1CCCCC1 585136815 UDIPFBIRFJBLDV-GASCZTMLSA-N 279.428 1.461 0 50 CDAA Cn1ccnc1[C@@H](C1CC1)n1cnc2ccncc2c1=O 584897150 FKHGARUOAQKBAU-CYBMUJFWSA-N 281.319 1.524 0 50 CDAA CC(C)(C)n1nc(CC(N)=O)nc1[C@@H]1CC12CCC2 826842459 TZNNALHFQGCULI-VIFPVBQESA-N 262.357 1.719 0 50 CDAA Cc1nn(C)c(C)c1CN(C)C(=O)CCCn1cccn1 584895835 HJADRZFBHKEJJU-UHFFFAOYSA-N 289.383 1.672 0 50 CDAA O=C(COC[C@H]1CCCCO1)NC(C1CC1)C1CC1 584902999 HNCYZUQVRBLLCR-CYBMUJFWSA-N 267.369 1.877 0 50 CDAA CN(C)C(=O)c1cncc(NC[C@@H]2CCCCN2C)n1 670445957 RBHVIKAZKUQLBR-NSHDSACASA-N 277.372 1.075 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CCC[C@H](N)C1)C2 584895399 MVUDBCBZNWESQI-DGTMBMJNSA-N 266.385 1.387 0 50 CDAA Cc1ncn(CCN[C@H](C)Cn2ccnc2C)c1C 670460747 BHWCNHSSJYTGBZ-LLVKDONJSA-N 261.373 1.683 0 50 CDAA CO[C@]1(C)C[C@@H](N(C)C(=O)c2conc2CN)C1(C)C 1548548883 YJWIQKWEFSOJMI-BXUZGUMPSA-N 281.356 1.409 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)NCCC1CC(F)(F)C1)C2 1553484904 DCUNTLDCNUAEOV-JQWIXIFHSA-N 273.327 1.555 0 50 CDAA CCC(=O)N1CC(N2CCN(C(=O)OC(C)(C)C)CC2)C1 952964764 WGYKMUPBEAEQIG-UHFFFAOYSA-N 297.399 1.160 0 50 CDAA Cc1cnc(O)n1-c1cccc(NC(=O)[C@@H](C)CCN)c1 1875277027 YGYHCSNLUKMNLT-JTQLQIEISA-N 288.351 1.810 0 50 CDAA Cc1cc(C(F)(F)F)nc(OCc2cnn(C)n2)n1 1875279029 TVXMBWKLDILOEX-UHFFFAOYSA-N 273.218 1.511 0 50 CDAA CNC(=O)[C@H]1C[C@@H](C)CN(c2ncnc3scnc23)C1 1875288361 YALPDKYZWBMSRD-BDAKNGLRSA-N 291.380 1.295 0 50 CDAA CO[C@H](C(=O)N=c1[nH]onc1C)c1cc(F)cc(F)c1 1875275988 ZZHXHRWSLKVSIT-JTQLQIEISA-N 283.234 1.404 0 50 CDAA Cc1nc(C(=O)NCCc2nc(C3CC3)no2)cs1 952975051 XZCGKKMNCDOPIH-UHFFFAOYSA-N 278.337 1.684 0 50 CDAA Cc1nccn1C[C@@H](C)NCCSc1nc[nH]n1 952963530 IXOYSEARZCJRRV-SECBINFHSA-N 266.374 1.080 0 50 CDAA COCCC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 886052246 GBUAABJBZNWERN-VHSXEESVSA-N 296.289 1.081 0 50 CDAA COc1c(OC)c(OC)c2oc(=O)ccc2c1O 1077991870 DJOTWQSMTJGHHT-UHFFFAOYSA-N 252.222 1.524 0 50 CDAA biogenic COC[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CC1 248701676 GHLLPYBTIIODOB-IGQOVBAYSA-N 251.370 1.959 0 50 CDAA Cc1ccc([C@@H](CNC(=O)C[C@H](O)C2CC2)N(C)C)cc1 1775999188 PASRVLOAXOMRJY-CVEARBPZSA-N 290.407 1.875 0 50 CDAA CC(C)c1cc(C(=O)N[C@H]2CCOC[C@@H]2O)cs1 1565507004 GRKZBPYJDDQAQM-QWRGUYRKSA-N 269.366 1.751 0 50 CDAA Cc1cc(C)nc(CCNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1 1565530042 REALBZGUVOXSMO-NEPJUHHUSA-N 291.351 1.253 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1cccn1C 408474374 SXFHVVZDODNAPE-STQMWFEESA-N 250.342 1.847 0 50 CDAA O[C@H]1C[C@H](c2ccccc2)N(Cc2nnc3n2CCCC3)C1 411958024 WZOWKCJIMGHBTO-LSDHHAIUSA-N 298.390 1.922 0 50 CDAA CC1(C)C[C@@H](NC(=O)c2cncc(C(=O)O)c2)C(C)(C)O1 630182831 XOMQRWPIROKGHM-LLVKDONJSA-N 292.335 1.856 0 50 CDAA Cc1noc(C)c1CNc1nc(N)c2cnn(C)c2n1 276350917 XVGYQHFKBWAMSV-UHFFFAOYSA-N 273.300 1.162 0 50 CDAA Cc1nn(C)c2ncc(NC(=O)N3CCC[C@@H](N)C3)cc12 666807637 TUIWAYWOYSATCG-SNVBAGLBSA-N 288.355 1.232 0 50 CDAA CC[C@H](C)[C@H](NC(=O)Cc1ccc(Cl)nc1)C(=O)O 170692479 IESVRMNCZVUMJY-UFBFGSQYSA-N 284.743 1.893 0 50 CDAA COc1ncccc1CNC(=O)[C@@H]1CCCO[C@H]1C 188047366 RGTYXXBSAYJCPI-CMPLNLGQSA-N 264.325 1.522 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(CO)o1 583617383 DOUGYVQUQLVEJB-GXFFZTMASA-N 255.314 1.008 0 50 CDAA CCc1nc(CC)n(Cc2nnc([C@@H]3CCCOC3)o2)n1 643647135 JYKLIDUFWDRKFG-SNVBAGLBSA-N 291.355 1.728 0 50 CDAA CC(C)(C(N)=O)c1nc(Cc2ccc3c[nH]nc3c2)no1 585084244 QRJKRMPSIUFOHH-UHFFFAOYSA-N 285.307 1.300 0 50 CDAA C[C@H](Cc1ccc(NC(=O)c2ccnn2C)cc1)C(=O)O 191399656 ACEVWESWKJJTSR-SNVBAGLBSA-N 287.319 1.936 0 50 CDAA CS(C)(=O)=NC(=O)CSc1cccc(O)c1 585118742 ABROOODTJSQSRH-UHFFFAOYSA-N 259.352 1.739 0 50 CDAA Cc1nc([C@@H](NC(=O)c2cccn2C)[C@@H](C)O)cs1 585130443 QDWRVBQERINSSS-PELKAZGASA-N 279.365 1.642 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1cccc(N2CC=CC2)c1 739546369 CIMFZSYGCUMIBU-ZIAGYGMSSA-N 286.331 1.400 0 50 CDAA Cn1nnc(CN2CC[C@@H](Oc3ccccc3Cl)C2)n1 193471654 XIUYRTFFHDNGLA-SNVBAGLBSA-N 293.758 1.517 0 50 CDAA COCCN(Cc1cc(Cl)cs1)[C@@H](C)C(N)=O 194382059 KEASWYXXFFYELN-QMMMGPOBSA-N 276.789 1.724 0 50 CDAA COC(=O)[C@@H]1CCN(C(=O)c2occc2C)C[C@H]1C 195579303 DXNIDOXVDKXUTA-GHMZBOCLSA-N 265.309 1.859 0 50 CDAA O=C(O)[C@@H]1CCCN1Cc1cnn(-c2ccccc2)n1 86725940 DHVYYAVTGDLYGK-ZDUSSCGKSA-N 272.308 1.316 0 50 CDAA COCCN1CC[C@@H](CNc2nc(C)cnc2C)C1 1529111285 UWEVMUZXMOGNCX-ZDUSSCGKSA-N 264.373 1.474 0 50 CDAA Cc1nonc1C(=O)N1CCC2(CCCO2)CC1 1857684233 DWFUZVPGBGWCNE-UHFFFAOYSA-N 251.286 1.163 0 50 CDAA CN(C)c1ccc(C(=S)N2CCOCC2)cc1 63324 VUUOTDMHABHTIG-UHFFFAOYSA-N 250.367 1.760 0 50 CDAA CO[C@H]1CN(C(=O)C2CC=CC2)C[C@H]1Cc1cc(C)no1 1704353943 PTMSSKYRGOUFRA-HIFRSBDPSA-N 290.363 1.965 0 50 CDAA Cc1cc(=O)cc(O)n1Cc1nc2ccccc2[nH]1 1547204132 DVUACOONZBWVRJ-UHFFFAOYSA-N 255.277 1.787 0 50 CDAA CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)O 2383927 WTMZYKCXBXPVPT-ZCFIWIBFSA-N 251.229 1.716 0 50 CDAA in-vitro O=C1CCCc2cc(N3C[C@@H](F)[C@H](CO)C3)ncc21 1875275983 YYCFCBKVEFSEQF-CMPLNLGQSA-N 264.300 1.367 0 50 CDAA Cc1cnc(O)c(CNC(=O)[C@H]2CC23CCC(N)CC3)c1 1615554934 NWDRABRBYWAJRX-MFOWVQHXSA-N 289.379 1.619 0 50 CDAA N[C@]12CCC[C@H]1CN(C(=O)c1cc3cccn3cn1)C2 1615555048 XEMIOWOKXXTPNM-NHYWBVRUSA-N 270.336 1.288 0 50 CDAA COCCCCN(C)C(=O)c1ccc(C=O)cc1O 1615604643 CIFCHCCBYVFSNS-UHFFFAOYSA-N 265.309 1.703 0 50 CDAA O=C(O)[C@@H]1c2sccc2CCN1C(=O)O[C@@H]1CCOC1 1616039928 ZLVWLQLTGHMCKQ-ZJUUUORDSA-N 297.332 1.657 0 50 CDAA CN(C(=O)[C@@H]1Cc2cncn2C(=O)N1)C1CCCCCC1 1616031527 OGHPDAWNVZRAJM-ZDUSSCGKSA-N 290.367 1.547 0 50 CDAA CNC(=O)CN1CCC(N[C@@H]2CC[C@H]3CC[C@H]2C3)CC1 1616037173 GVGKZOKCXQHJRO-VNHYZAJKSA-N 279.428 1.365 0 50 CDAA CN(Cc1nnc2n1CCCCC2)C(=O)c1cocn1 591120908 VEKIQYKLWGFMIE-UHFFFAOYSA-N 275.312 1.265 0 50 CDAA O=C1CCC2(CCN(c3ncnc4cc[nH]c34)CC2)CN1 1772806119 UHXXDBQMAMAGLE-UHFFFAOYSA-N 285.351 1.455 0 50 CDAA COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4=O)cc1 19312818 MXNIQFSQGDHUIH-UHFFFAOYSA-N 286.375 1.920 0 50 CDAA biogenic OC[C@H]1CN(c2ncnc3c(F)c(F)ccc23)CC[C@H]1O 1857527694 HGRRSMNVGPMZMB-LDYMZIIASA-N 295.289 1.088 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2nc(C)c(C)o2)n1 408046152 KEXWFWNGFBNUNK-MFKMUULPSA-N 292.339 1.945 0 50 CDAA Cc1cc(CO)cc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1 408524002 PGMDBRVSCVPIAQ-SMDDNHRTSA-N 262.353 1.886 0 50 CDAA CN(CC(=O)N1CCCc2n[nH]cc21)Cc1ccccc1 328591318 XOEBHAVPPPVVDG-UHFFFAOYSA-N 284.363 1.821 0 50 CDAA Cc1ccc(CN2CCO[C@H](c3nncn3C)C2)s1 328650686 VRWWLWZTKWFAKU-LBPRGKRZSA-N 278.381 1.759 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CN)nn1C 236598819 GGVVZINHSUBEPM-RISCZKNCSA-N 278.400 1.743 0 50 CDAA C[C@H](C(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(F)c1 237411025 BKQDADGCXMGPMU-JOYOIKCWSA-N 281.283 1.241 0 50 CDAA Cc1ccccc1C1(C(=O)N2CCCO[C@@H](CN)C2)CC1 335026772 ZLYREEWSJCVFJA-AWEZNQCLSA-N 288.391 1.603 0 50 CDAA C[C@H]1C[C@H](C)CC[C@@H]1NC[C@H](Cc1cnn(C)c1)C(N)=O 252512797 VTRNWUXGEIXWOT-DHMWGJHJSA-N 292.427 1.478 0 50 CDAA C[C@@]1(CNC(=O)NC[C@@H]2CCn3ccnc3C2)CCCO1 583622866 OBESXWRZWUJGRT-DOMZBBRYSA-N 292.383 1.314 0 50 CDAA CC(C)(C)c1ncc(C(=O)N2CCOC[C@H]2C(=O)O)s1 377142477 OADXUPUAIAYSPG-QMMMGPOBSA-N 298.364 1.366 0 50 CDAA CN(Cc1ccco1)c1cc(N2CCOCC2)ncn1 265418772 HXSOMEDPBVDWDO-UHFFFAOYSA-N 274.324 1.543 0 50 CDAA O=C(c1cccc2nccn12)N1CCc2nc[nH]c2C1 929082717 UCYHBDOMIKSRLW-UHFFFAOYSA-N 267.292 1.256 0 50 CDAA O=C(NC[C@@H]1CCCN1CC(F)(F)F)c1cnccn1 830977830 QGVHOTIYHPDPNM-VIFPVBQESA-N 288.273 1.233 0 50 CDAA Cc1cccc([C@@H](O)CN[C@@H]2CCO[C@H]2c2cc[nH]n2)c1 931110230 AJVAHOJADMUWSL-VNQPRFMTSA-N 287.363 1.871 0 50 CDAA CCn1cc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)nn1 935436238 NBPJOHQUPUMCSP-MRXNPFEDSA-N 298.346 1.570 0 50 CDAA COc1ccc(C(=O)NC2(C(=O)O)CC2)c(OC)c1 203652302 CXKQTJHPXPMPLN-UHFFFAOYSA-N 265.265 1.051 0 50 CDAA NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6858685 KQCAJDWZVODIFB-UHFFFAOYSA-N 294.307 1.725 0 50 CDAA C[C@H]1CCCN(C(=O)c2cccc3cn[nH]c23)[C@@H]1CN 237637874 CZAJYNFPHUEEJW-GXFFZTMASA-N 272.352 1.762 0 50 CDAA O=C(NCC(F)(F)C(F)F)[C@@H]1C[C@H]2CCCC[C@H]2N1 261568279 JSPHZCDMEXFAMT-HLTSFMKQSA-N 282.281 1.924 0 50 CDAA CC(C)Cc1nc(CN(C)C[C@@H]2CCOC2)no1 65371428 IIRFHYHBGYIDEQ-NSHDSACASA-N 253.346 1.736 0 50 CDAA CC[C@]1(O)CCCN(C(=O)C2(COC)CCC2)C1 584892571 DDTIRRXXIATSAB-AWEZNQCLSA-N 255.358 1.567 0 50 CDAA O=C(N[C@H]1CCOCCC1(F)F)[C@H](F)C1CC1 2325798666 NJOPDHMZFBCPEY-DTWKUNHWSA-N 251.248 1.665 0 50 CDAA Cc1nc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cs1 952974478 WSPUBQAFAYXAFB-SECBINFHSA-N 277.353 1.589 0 50 CDAA Cn1cnc2nc(-c3ccc4c(c3)OCCO4)ncc21 2100482245 KVTFMJHJBQLYPN-UHFFFAOYSA-N 268.276 1.802 0 50 CDAA CC[C@](C)(NC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1nn[nH]n1 2325807394 WWHQBZWMIPOMKL-WDMOLILDSA-N 293.371 1.004 0 50 CDAA CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@](C)(O)C1 245915018 NAWRJCVZBHHYKP-RISCZKNCSA-N 256.390 1.527 0 50 CDAA OC[C@H]1N=C(c2ccccn2)O[C@@H]1c1ccccc1 210277 FBXZTVLHMLAKBJ-ZIAGYGMSSA-N 254.289 1.961 0 50 CDAA O=C(CN1C(=O)COc2ccccc21)NC1CCCCC1 219499 HIKGTGMAYJVIPZ-UHFFFAOYSA-N 288.347 1.861 0 50 CDAA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCNC1=O 287706 MZURRFOUDOALSB-SMDDNHRTSA-N 299.374 1.741 0 50 CDAA biogenic O=c1sc2ccccc2n1C[C@H](O)C[n+]1ccccc1 405484 TXQNSZFBHHFFDY-GFCCVEGCSA-N 287.364 1.412 0 50 CDAA CN(C)C1(C(N)=O)CCN(Cc2ccccc2)CC1 410137 CTTXVHBXEKXREE-UHFFFAOYSA-N 261.369 1.068 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1 827797 QCPHUNJWOAQNTN-LLVKDONJSA-N 272.304 1.644 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(O)cc1 2562472 KMVXZPOLHFZPKW-NSHDSACASA-N 267.325 1.820 0 50 CDAA COC[C@@]12COC[C@@H]1CN(Cc1ncccc1C)C2 2356137098 FNQJJHJSIVRVNF-ZFWWWQNUSA-N 262.353 1.485 0 50 CDAA O=C(NCc1ccccc1)C(=O)Nc1nccs1 2911826 LUTGLJSHMVRPAY-UHFFFAOYSA-N 261.306 1.398 0 50 CDAA CN(Cc1n[nH]c2c1CCCC2)Cc1cccc2ncnn12 2356153022 NNBIKIRWCPGKQP-UHFFFAOYSA-N 296.378 1.963 0 50 CDAA COC(=O)c1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1 4902262 USVURDKYXXAKQQ-FLIBITNWSA-N 290.344 1.503 0 50 CDAA COc1ccc(NC(=S)NN2CCN(C)CC2)cc1 8578168 YGVIISKIDNMBPG-UHFFFAOYSA-N 280.397 1.144 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](C)Cn2cncn2)c(C)c1 8714286 OVFXBTLXEHUSFP-GFCCVEGCSA-N 294.380 1.262 0 50 CDAA CC(C)N1CCN(Cc2ccncc2)C[C@H]1CCO 105625582 FJJIPBRCIWZZCZ-OAHLLOKOSA-N 263.385 1.359 0 50 CDAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(CC(F)(F)F)C1 344733173 LQDZHIZOKIZZHF-RQJHMYQMSA-N 250.224 1.129 0 50 CDAA CONC(=O)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 134752710 BNOQTLULESZKPC-UHFFFAOYSA-N 282.299 1.874 0 50 CDAA Nc1cc(-c2ccccc2CO)nc(N2CCCC2)n1 65373901 RFWYQOOYGXJPTJ-UHFFFAOYSA-N 270.336 1.818 0 50 CDAA COc1ccc(NC(=O)Cc2cnn(C)c2)c(O)c1 135412056 UQYLXDQEMMHXHY-UHFFFAOYSA-N 261.281 1.316 0 50 CDAA C[C@H]1CNCCN1C(=O)c1cccc(CN2CCCC2)c1 125716752 IGHMFRILLQZTMV-AWEZNQCLSA-N 287.407 1.716 0 50 CDAA CNC(=O)[C@H](C)N(C)C1CCN(Cc2cccnc2)CC1 65435473 WPBRKXOJGJMCIB-ZDUSSCGKSA-N 290.411 1.112 0 50 CDAA COCc1ccc([C@@H]2CCCN2Cc2cn(C)nn2)o1 331431916 UFNDMRAFZOVFCU-ZDUSSCGKSA-N 276.340 1.892 0 50 CDAA CCCCN(C)S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 229357195 ZRKGWUSWVYMTQD-OLZOCXBDSA-N 289.445 1.180 0 50 CDAA Cc1cc(NCc2nc(O)n[nH]2)nc(N2CCCCC2)n1 1506423315 VRZSOUOAXUNGQQ-UHFFFAOYSA-N 289.343 1.211 0 50 CDAA Cc1ccc(F)cc1CN[C@H](C(=O)O)c1ccnn1C 424623301 POJAKPQLMOBLLK-ZDUSSCGKSA-N 277.299 1.783 0 50 CDAA Cc1ccnc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)n1 252498392 RAYOTIBCFGWTBV-NWDGAFQWSA-N 254.293 1.922 0 50 CDAA COc1ccc(C(=O)NC[C@@H]2CCOc3ccccc32)nn1 120205014 LBFHQZVFKXTDKQ-NSHDSACASA-N 299.330 1.781 0 50 CDAA CCc1noc([C@H](C)N[C@@H]2CCCCC[C@H]2C(N)=O)n1 252586066 NETYIZCHLNVOFQ-HBNTYKKESA-N 280.372 1.717 0 50 CDAA c1ccc([C@H]2OCC[C@@H]2CN=c2ccc3nnnn3[nH]2)cc1 328610145 GPBVLMWQOYWKCB-IUODEOHRSA-N 296.334 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293.415 1.021 0 50 CDAA N[C@H]1CC[C@@H](NC(=O)CCCc2cn[nH]c2)CC1 244795173 RAWNIPSNZASSTC-TXEJJXNPSA-N 250.346 1.119 0 50 CDAA Cc1c(C(=O)N(CC(=O)O)C2CC2)cnn1C(C)(C)C 181633621 MLQCDUGHDFZOSV-UHFFFAOYSA-N 279.340 1.636 0 50 CDAA O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cn[nH]c1 240517198 NWNDMRUYEAYVTB-XRNSZHNASA-N 277.349 1.713 0 50 CDAA CCC1=NO[C@@H](CN2CCN(C(=O)c3ccc[nH]3)CC2)C1 244882893 YBDLOVTVCBJRJE-CYBMUJFWSA-N 290.367 1.327 0 50 CDAA CCOC(=O)[C@@H](OCC)[C@@H](O)c1ccc(O)cc1 606241632 KHFLLVMFVRDXDG-RYUDHWBXSA-N 254.282 1.394 0 50 CDAA CCc1nnc(CN(C)C[C@@H]2CCN(CC)C2)o1 252481351 CJOBCQXLDYKQIW-NSHDSACASA-N 252.362 1.406 0 50 CDAA CNc1snc(C)c1C(=O)N1CCc2[nH]ncc2C1 299329619 XNJNERXTCJYLQN-UHFFFAOYSA-N 277.353 1.415 0 50 CDAA CO[C@@H](C)C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 299655308 KIBKISDWYIIDFB-GXTWGEPZSA-N 278.352 1.624 0 50 CDAA CN1CCO[C@@H](c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)C1 299753809 ZKVJJWWSCOYEAO-TUAOUCFPSA-N 295.383 1.991 0 50 CDAA CCOC(=O)[C@@H](OCC)[C@H](O)c1ccc(O)cc1 606241630 KHFLLVMFVRDXDG-NEPJUHHUSA-N 254.282 1.394 0 50 CDAA CN(CCC[C@@H]1CCCO1)C(=O)CN(C)C1CCNCC1 534675297 JVMGJPPIOSLDFD-OAHLLOKOSA-N 297.443 1.088 0 50 CDAA C1CCC(CNC2CCOCC2)(N2CCOCC2)CC1 363264236 KFHUPHCKUULIKJ-UHFFFAOYSA-N 282.428 1.790 0 50 CDAA O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC1 295809 TWRKHAYXHJCJID-UHFFFAOYSA-N 269.322 1.242 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CCN2CCCC2=O)c(C)s1 299773682 FFHSTEBESICENA-SECBINFHSA-N 295.408 1.950 0 50 CDAA COc1cccc(C(=O)N[C@@H](C)c2nncn2C)c1OC 298504391 KGDOALHNQMHHGU-VIFPVBQESA-N 290.323 1.323 0 50 CDAA CCOC(=O)c1nnn2c1CO[C@@H](c1cccc(F)c1)C2 643919605 JSUHRAIDYLSATG-GFCCVEGCSA-N 291.282 1.865 0 50 CDAA Cc1nonc1CNC1CC(C)(C)NC(C)(C)C1 584891043 SHIPJLRKFZKKBZ-UHFFFAOYSA-N 252.362 1.777 0 50 CDAA Cc1cc(=O)cc(C(=O)NC[C@H]2CC[C@H](CO)CC2)[nH]1 584889215 OHCVCJDLMGJFEJ-HAQNSBGRSA-N 278.352 1.212 0 50 CDAA Cc1nc(CCCn2cccn2)n(-c2ccncc2)n1 825292227 YXPGJAMGDXLQSX-UHFFFAOYSA-N 268.324 1.800 0 50 CDAA COCCn1cnnc1CN(C)Cc1cc(C(C)C)on1 670456498 WIOPPWCOORDATE-UHFFFAOYSA-N 293.371 1.668 0 50 CDAA COCCN1c2ccccc2N(C2CCC2)S1(=O)=O 871795372 KGYVFPRVKQAOIF-UHFFFAOYSA-N 282.365 1.757 0 50 CDAA CC[C@@H]1CNC[C@@H]1NCCc1ccc2c(c1)CCO2 1875337803 GIHXCFDPZSDERM-HIFRSBDPSA-N 260.381 1.752 0 50 CDAA CN(C)C/C=C/C(=O)NCc1nccc2ccccc12 1875379624 ZZODMBQPXXVHNK-VMPITWQZSA-N 269.348 1.969 0 50 CDAA Cc1ccc(CN(CCCO)C(=O)c2ccnnc2)cc1 952983917 LYLDTPXHUNLLNC-UHFFFAOYSA-N 285.347 1.810 0 50 CDAA Cc1nn[nH]c1C(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 1076120236 XKYVGWPQGKNLSM-STQMWFEESA-N 289.383 1.060 0 50 CDAA CC(C)c1ncc(Cl)c(C(=O)N2CC[C@@H](N)C2)n1 132241586 FQGFZQMDURTSMY-MRVPVSSYSA-N 268.748 1.427 0 50 CDAA Cn1cc(Br)c(CNc2nncs2)n1 306708538 SQNZKCHUHVOSGL-UHFFFAOYSA-N 274.147 1.646 0 50 CDAA N[C@]12CCC[C@@H]1CN(C(=O)c1nccc3cccnc13)C2 1775961429 ZDSAEKUJFRMDTD-WBMJQRKESA-N 282.347 1.583 0 50 CDAA COc1cccc(C[C@@](C)(C(=O)O)n2cccn2)n1 1776004782 XJLHYWHRUFRTJK-ZDUSSCGKSA-N 261.281 1.329 0 50 CDAA CC(C)c1cc(C(=O)N[C@H]2CC=CC[C@@H]2C(N)=O)on1 1565507754 RRJMYVWHGWGNOE-UWVGGRQHSA-N 277.324 1.348 0 50 CDAA O=C(NCC1(O)CCC1)c1cc(=O)c2ccccc2o1 134933987 CZPSGFUCYNAKHB-UHFFFAOYSA-N 273.288 1.438 0 50 CDAA CNC(=O)[C@H]1CCN(C(=O)c2c[nH]c3cccc(F)c23)C1 1363453159 KPOHQYOOLYRGOS-VIFPVBQESA-N 289.310 1.515 0 50 CDAA CCn1ccnc1CN1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O 408035294 LAPHIFRBLZIRTA-LZWOXQAQSA-N 293.411 1.655 0 50 CDAA CC(C)[C@@H](C)N(C)C(=O)C1(S(C)(=O)=O)CCC1 408349752 UFDUDACUCDPBTN-SNVBAGLBSA-N 261.387 1.457 0 50 CDAA FC(F)(F)COCCN(C[C@H]1CCCN1)C1CC1 301907661 PMOYEYHYTYKCKE-SNVBAGLBSA-N 266.307 1.782 0 50 CDAA O[C@H](COC[C@H]1CCCO1)CN1CCc2ccc(F)cc21 222131768 MJEHIAFBQVGWCW-LSDHHAIUSA-N 295.354 1.745 0 50 CDAA CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1C[C@@H]3C[C@@H]3C1)CC2 667791240 HAUDYIXCSAMZPR-YVECIDJPSA-N 288.395 1.879 0 50 CDAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(O)c1 272762312 QMQCXWMOJBCNEQ-HZMBPMFUSA-N 260.337 1.605 0 50 CDAA CO[C@H](C)CNS(=O)(=O)c1cc(F)cc(Cl)c1 276250957 WGLZYYUDIXAXGS-SSDOTTSWSA-N 281.736 1.792 0 50 CDAA CC(C)C(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1 276728798 QTWPTAFPXXXFKG-GFCCVEGCSA-N 278.356 1.099 0 50 CDAA COC(=O)[C@H](N[C@@H]1CCSC1)c1ccc(O)cc1 170088960 TYOOPTJKBDVHDV-ZYHUDNBSSA-N 267.350 1.701 0 50 CDAA COC(=O)N1CC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 170598680 QSHCRPNMLCPKTE-DGCLKSJQSA-N 276.336 1.747 0 50 CDAA CCN(C(=O)[C@@H]1CCOC1)c1ccccc1C(=O)OC 170631808 SBICKVQTSGAHBQ-LLVKDONJSA-N 277.320 1.863 0 50 CDAA Cc1cccc(CS(=O)(=O)N2CCN[C@H](C)C2)c1 187153437 YXFHMTRCXZMVBP-GFCCVEGCSA-N 268.382 1.119 0 50 CDAA CSC[C@H](C)C(=O)N(C)[C@@H](C)c1nc(C)no1 585090749 DMSWLRSPWOWWHM-YUMQZZPRSA-N 257.359 1.897 0 50 CDAA O=C([C@H](O)C1CCCCC1)N1CCc2c[nH]nc2C1 682163239 DEXMRBLBPPYIGA-CYBMUJFWSA-N 263.341 1.236 0 50 CDAA Cc1ccnc(N2CCC[C@](O)(CC(N)=O)C2)c1Cl 643713070 JZPSDYIHVNBSOX-ZDUSSCGKSA-N 283.759 1.250 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2cccnc2)C1(C)C 191771584 GCZPPGYCXWDITI-SWLSCSKDSA-N 278.352 1.378 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)Nc1ccnc2ccnn12 191882375 FNDQICYFGXDTRD-ZJUUUORDSA-N 260.297 1.483 0 50 CDAA C[C@@]1(NC(=O)Cc2cnn3ccccc23)CCO[C@H]1C1CC1 648353338 HDDUDHVLLFJKJD-DLBZAZTESA-N 299.374 1.951 0 50 CDAA O=C(NCC1(C(=O)O)CC1)c1ccc(-c2ccccn2)nc1 652069611 SIOAHUDKJJIUIT-UHFFFAOYSA-N 297.314 1.738 0 50 CDAA CC(C)c1noc(N2C[C@@H](C(N)=O)CC[C@@H]2C)n1 195574949 BMDWQGPTXTWSFH-IUCAKERBSA-N 252.318 1.283 0 50 CDAA Cc1n[nH]cc1C(=O)N1CCC([C@H]2OCCC[C@@H]2N)CC1 569809588 OTKGBEXANUVHCP-UONOGXRCSA-N 292.383 1.077 0 50 CDAA Cc1csc2c(N3CCC(O)(CO)CC3)ncnc12 67540676 DHWSDJSTTJWSJM-UHFFFAOYSA-N 279.365 1.323 0 50 CDAA Cn1ncc(C2CC2)c1C(=O)NCc1ccc(C(=O)O)o1 659134555 QDGCCGNOJOCFJJ-UHFFFAOYSA-N 289.291 1.519 0 50 CDAA CN1CCN(Cc2nc(-c3ccccc3)no2)CCC1=O 661814312 NVSBSWQYOKPPSD-UHFFFAOYSA-N 286.335 1.401 0 50 CDAA Cc1ccc(N2CCN([C@@H]3CN4CCC3CC4)CC2)nc1 1506418596 SUYQYBKQUUISJA-MRXNPFEDSA-N 286.423 1.606 0 50 CDAA CN1CCN(c2noc(C3CC3)n2)CC12CCOCC2 1800412209 WHXJMDPHDJUWNU-UHFFFAOYSA-N 278.356 1.248 0 50 CDAA COc1nc(NC[C@H](C)Oc2cccnc2)ncc1F 1704302706 ANWOTBZTBGTVNK-VIFPVBQESA-N 278.287 1.899 0 50 CDAA Cc1ccc(-c2nccn2CC(N)=O)c(F)c1F 1875247315 ZRFMHSSDVUDJDK-UHFFFAOYSA-N 251.236 1.622 0 50 CDAA C[C@@H](NCc1nnn(C)n1)c1ccc(Cl)cc1F 1857530092 GSYQKXKUNSGVHD-SSDOTTSWSA-N 269.711 1.853 0 50 CDAA C[C@H](C(=O)NS(C)(=O)=O)c1coc2ncccc12 1875382721 NNAHZUIIQVDDJR-ZETCQYMHSA-N 268.294 1.007 0 50 CDAA C=CC(=O)N1CCC(c2cc(C(=O)OC)n(C)n2)CC1 1875388362 YHVBIQQDCUNPIX-UHFFFAOYSA-N 277.324 1.099 0 50 CDAA COc1cc(F)ccc1NC[C@@H](O)CC1(O)CCC1 1615588877 UHLWQYXBXCJJKD-NSHDSACASA-N 269.316 1.912 0 50 CDAA O=c1[nH]c(CN[C@H]2CCCSC2)nc2ccccc12 136375396 OTHKIZHMRBCGBO-JTQLQIEISA-N 275.377 1.908 0 50 CDAA COc1ccc(CN(C)C[C@H]2CCC(=O)N(C)C2)cc1 1775982745 DIMCDYRUGKEQSC-CQSZACIVSA-N 276.380 1.995 0 50 CDAA O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@@H]1C1(O)CC1 1772812681 OJJOJSORWATOTR-GFCCVEGCSA-N 261.325 1.417 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(C)c1 11566168 AYCHXAAGHQHEIZ-LLVKDONJSA-N 257.355 1.353 0 50 CDAA O=C(NCc1ccccn1)c1c[nH]c2ccc(F)cc2c1=O 13727965 UZKJYGYHYKXAEL-UHFFFAOYSA-N 297.289 1.992 0 50 CDAA CCCC[S@@](=O)C[C@@H](O)COc1ccccc1 16662157 UMOPQQMABRASPP-SJCJKPOMSA-N 256.367 1.975 0 50 CDAA CC[C@@]12C[C@@H]1CN(S(=O)(=O)c1c(C)n[nH]c1C)C2 1772816353 OUFYSSZQBFVOPG-PWSUYJOCSA-N 269.370 1.447 0 50 CDAA c1ccn2c(N3CCN4[C@@H](C5CC5)COC[C@H]4C3)nnc2c1 1857729623 DSKNYGCRFUIYGB-ZIAGYGMSSA-N 299.378 1.029 0 50 CDAA C[C@H]1CN2C[C@@H](NC(=O)c3ccc4[nH]ccc4c3)C[C@H]2CO1 1857736571 NEKOHPCWJYXNJN-CQDKDKBSSA-N 299.374 1.759 0 50 CDAA C[C@H](NC(=O)c1ccc(O)cc1F)[C@H]1CCOC1 164085983 YZNMOMNIQPTZJC-IUCAKERBSA-N 253.273 1.686 0 50 CDAA CCN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)CC1 19810964 HDHOCXQWYZHQRP-DLBZAZTESA-N 292.423 1.936 0 50 CDAA biogenic C[C@H]1CCNCC[C@H]1NCc1ccccc1S(C)(=O)=O 423191005 SHOCRSHYQHVHRT-GXTWGEPZSA-N 296.436 1.568 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cc(Cl)ccc1O 725026667 CRTBDWJCCWCPMK-JQWIXIFHSA-N 285.727 1.579 0 50 CDAA CC(C)CO[C@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1 236641035 VIQRJLUTKATOKR-HOTGVXAUSA-N 290.407 1.830 0 50 CDAA CC[C@@H](C(=O)N[C@H](C)c1ncon1)N1CCO[C@H](CC)C1 253408128 WRKARDVKFBQBJG-UTUOFQBUSA-N 296.371 1.136 0 50 CDAA C[C@@H]1COCCN(C(=O)c2cnc(OCC3CC3)cn2)C1 367410165 MNVYZDDBYKYRRW-NSHDSACASA-N 291.351 1.374 0 50 CDAA Cn1ccnc1CC1CCN(C(=O)[C@](C)(O)C2CC2)CC1 376228323 LDTKRHLTPWMTCT-MRXNPFEDSA-N 291.395 1.362 0 50 CDAA CN1CCN(CCC(=O)Nc2cccc(F)c2)CCC1=O 585094443 DVPJAMDUBWHJKF-UHFFFAOYSA-N 293.342 1.318 0 50 CDAA Cc1nonc1CC(=O)Nc1cccc(C2OCCO2)c1 907789276 MIWRYPMRGRGARA-UHFFFAOYSA-N 289.291 1.605 0 50 CDAA Cc1cc(CNC(=O)[C@@]23CCCC[C@@H]2OCC3)no1 930659393 LTHQFECGAYQTFY-GXTWGEPZSA-N 264.325 1.949 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1C2C[C@H]3[C@@H](C2)C13C(=O)O 1857779317 DMNCQAIBIGGQSP-GWWVKGQHSA-N 253.298 1.620 0 50 CDAA Cc1nnsc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 221022431 BXOXIOPQDLAHHF-GUBZILKMSA-N 295.364 1.704 0 50 CDAA C[C@H](C(=O)O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 237430625 BQGNYDKFTZASOV-BXKDBHETSA-N 296.754 1.850 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)[nH]n1 253623552 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Cn1nc(C(=O)O)cc1CN1CCC[C@@H]2C[C@@H](O)CC[C@H]21 2325789254 GYTDOIKZBOVVIJ-SCDSUCTJSA-N 293.367 1.244 0 50 CDAA O=C(Cc1cccc(-c2nn[nH]n2)c1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 2325806737 CZEIQIDSWKGRGH-XUXIUFHCSA-N 295.346 1.276 0 50 CDAA O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ncccc1O 230309670 WHMSCNYQUIFGIN-HOSYDEDBSA-N 262.309 1.475 0 50 CDAA CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC 385939 ZCXIITLBXZWRPW-UHFFFAOYSA-N 274.280 1.030 0 50 CDAA Cc1nc(N2CC[C@]3(CN(C)C(=O)O3)C2)nc(C)c1C 2356144381 VHUFQLKYMRTDIT-AWEZNQCLSA-N 276.340 1.433 0 50 CDAA COCCNC(=O)c1ccccc1NC(=O)c1ccco1 2857135 IAFLDLANSNUFOK-UHFFFAOYSA-N 288.303 1.908 0 50 CDAA CCCNC(=O)NCc1ccc(OC)c(OC)c1 2867290 LOZHOPGGRYBYNA-UHFFFAOYSA-N 252.314 1.913 0 50 CDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc[nH]n3)C1)CC2 2356157021 AQVKDHBKWWTKJE-MRXNPFEDSA-N 297.362 1.628 0 50 CDAA CCC(=O)NCCc1c(C(=O)O)[nH]c2ccc(OC)cc12 4065159 ZGRHOZNJHYHXSM-UHFFFAOYSA-N 290.319 1.943 0 50 CDAA CC(C)[C@]1(C)N=C(c2ncccc2C(=O)O)NC1=O 4747579 CLQMBPJKHLGMQK-ZDUSSCGKSA-N 261.281 1.071 0 50 CDAA in-vitro CCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 4814315 FXYXWTBHSVPEJX-UHFFFAOYSA-N 292.335 1.717 0 50 CDAA Cc1cc(C)n2nc(CC(=O)N3CCCCCC3)nc2n1 6670406 OCTJHTHROOWNIX-UHFFFAOYSA-N 287.367 1.686 0 50 CDAA COc1ccc(F)cc1S(=O)(=O)n1ccnc1 6700570 UFQOTJBNIVNKCS-UHFFFAOYSA-N 256.258 1.268 0 50 CDAA CO[C@@H](C)CS(=O)(=O)N(C)[C@H](C)Cc1ccsc1 225428318 UMUCTBCGDLYXKO-MNOVXSKESA-N 291.438 1.976 0 50 CDAA CCN(CC(=O)O)C(=O)[C@@H]1CCOc2ccccc21 111184986 SHSUTGKWEXSYKT-LLVKDONJSA-N 263.293 1.486 0 50 CDAA N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 9361220 ODNKLORLNFNXAP-NXEZZACHSA-N 268.363 1.340 0 50 CDAA Cc1ccc2nc(Nc3nc(O)cc(=O)[nH]3)nc(C)c2c1 9860934 IHTOUADIHJQDJA-UHFFFAOYSA-N 283.291 1.779 0 50 CDAA CCOc1cccc(OCCOCCN2CCOCC2)c1 22309511 SUEGFBGOTIMUQY-UHFFFAOYSA-N 295.379 1.813 0 50 CDAA Clc1cnn(CN2CCN(c3cnccn3)CC2)c1 138663186 OQJBCHJXTOUQKT-UHFFFAOYSA-N 278.747 1.106 0 50 CDAA C[C@H](NC(=O)Nc1ccc(F)cn1)c1nnnn1C1CC1 252486002 HGXPRXMREGWXBB-ZETCQYMHSA-N 291.290 1.425 0 50 CDAA C[C@@]1(NC(=O)CCN2C(=O)CCC2=O)CC=CCC1 331312068 CATAFPOEIUZXMS-CQSZACIVSA-N 264.325 1.141 0 50 CDAA CNC(=O)N[C@H]1CCN(C(=O)CCc2ccc(C)s2)C1 355727858 CPSCMJWJQQMALV-NSHDSACASA-N 295.408 1.519 0 50 CDAA CN1CCO[C@@H](CN(CC2CC2)C(=O)C2CC=CC2)C1 328623656 CAXQBKSYJVMJHV-OAHLLOKOSA-N 278.396 1.522 0 50 CDAA Cc1ncccc1CN1CC[C@H](N(C)Cc2ncccn2)C1 328623653 CAXPWYWBMZQUNE-INIZCTEOSA-N 297.406 1.886 0 50 CDAA CO[C@@H]1CCN(C(=O)c2csc([C@@H]3CCCO3)n2)C1 328767661 HSFRFRNKVPHIJT-KOLCDFICSA-N 282.365 1.856 0 50 CDAA C[C@H]1[C@@H](NCC(N)=O)[C@H](C)CCN1C(=O)OC(C)(C)C 253417340 KJPNHIQEZNROHE-SCVCMEIPSA-N 285.388 1.095 0 50 CDAA COc1ccc(CN2C[C@H](CO)CC2=O)c(OC)c1 70493687 VJPSRVSSKYBSCQ-SNVBAGLBSA-N 265.309 1.045 0 50 CDAA COc1ccc(N(C)C(=O)[C@@H]2CCCOCC2)nc1 330157809 ZLOXFYFOLMFZOE-LLVKDONJSA-N 264.325 1.870 0 50 CDAA Cc1occc1C(=O)N1CCC[C@]2(CC1)CNC(=O)O2 72163014 GPWJBBYWANMUIF-AWEZNQCLSA-N 278.308 1.693 0 50 CDAA Cn1ncc(NC(=O)CCc2cn3ccccc3n2)n1 32561876 LIGMALIIGPFKGZ-UHFFFAOYSA-N 270.296 1.034 0 50 CDAA C[C@H](NC(=O)N1C[C@H]2CC[C@H]1CN2)c1cncc(F)c1 333271173 KMGQERDJPGQYIV-BIMULSAOSA-N 278.331 1.428 0 50 CDAA CC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 72117805 KNAKTOOJOZFZDV-UHFFFAOYSA-N 262.353 1.796 0 50 CDAA Cc1ccc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c(C)n1 377648941 HFGHNDUDHIZSFL-NVXWUHKLSA-N 289.423 1.993 0 50 CDAA CC(C)(Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCNC1 215748885 KDHAHIKRPLRLPB-ZDUSSCGKSA-N 276.380 1.829 0 50 CDAA OC[C@@]1(O)CCCN(Cc2cncn2C2CCCCC2)C1 72145122 ZVGDJIYUDWRLCJ-MRXNPFEDSA-N 293.411 1.708 0 50 CDAA Cc1cc(NC(=O)N(CCOCCO)C(C)C)ccn1 282964572 AIHSWEWWFWKOGV-UHFFFAOYSA-N 281.356 1.641 0 50 CDAA CCOc1ncccc1NC(=O)[C@@H]1CC[C@H](C)O1 130704990 FZWWFOSPWUVENQ-ONGXEEELSA-N 250.298 1.986 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 239782543 COZZUQYZXCJPPG-VHSXEESVSA-N 257.289 1.786 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCOC2)o1 132705536 IMVQBTSSEQMKEU-MRVPVSSYSA-N 253.254 1.134 0 50 CDAA O=C(CCC1CCOCC1)N[C@H]1C[C@@H](C(=O)O)C1 263329463 PNQXCPTVLYROAE-PHIMTYICSA-N 255.314 1.173 0 50 CDAA CC1(C)O[C@@H](COCc2ccccc2)[C@H](C(=O)O)O1 43199062 DQPNTANZJZDUMP-NWDGAFQWSA-N 266.293 1.808 0 50 CDAA Cc1c[nH]c(C(=O)NCC[C@@H]2CCCN(C)C2)n1 223722253 DOFCXHRYDSPAEJ-NSHDSACASA-N 250.346 1.180 0 50 CDAA O=C(NCc1nccs1)c1ccccc1-n1cnnc1 426387615 IQDJHPPAZANNAF-UHFFFAOYSA-N 285.332 1.654 0 50 CDAA COCc1cc(CNC(=O)[C@H]2CCc3ccccc3C2)n[nH]1 222492352 QYYACZRPANNSSX-AWEZNQCLSA-N 299.374 1.977 0 50 CDAA CC(C)c1nc(CN(CCO)Cc2nccn2C)co1 220300483 CRPWTPDYPUCIOO-UHFFFAOYSA-N 278.356 1.526 0 50 CDAA c1cnc2c(CN3CCC4(CCNCC4)C3)cnn2c1 426535987 YRZZXUXDLUNRKW-UHFFFAOYSA-N 271.368 1.305 0 50 CDAA CC1(C)Cc2cc(CN3CCNC[C@H](O)C3)ccc2O1 97394220 LTPXIQPFXNFCGD-AWEZNQCLSA-N 276.380 1.166 0 50 CDAA Cn1cnc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)n1 291525762 PKGOITWVHHTKQG-ZDUSSCGKSA-N 297.362 1.440 0 50 CDAA Cc1nnc2n1[C@@H](C)CN(C(=O)Cc1cncs1)C2 96151592 OPKIVEJWQBBSFD-QMMMGPOBSA-N 277.353 1.189 0 50 CDAA CN1C(=O)[C@H]2CC[C@@H]1CN(c1ncc(Cl)cc1F)C2 95386394 YRKCASPLUYQHBS-WCBMZHEXSA-N 283.734 1.931 0 50 CDAA COCc1ccc(C(=O)NCCN2CCCC[C@@H]2CO)o1 96180709 HFSNBLQZMOGPHC-GFCCVEGCSA-N 296.367 1.003 0 50 CDAA Cc1nc(C)c2c(n1)O[C@H](Cc1ccc(C(N)=O)cc1)C2 91593508 PZBRQEKIFCAJTF-CYBMUJFWSA-N 283.331 1.739 0 50 CDAA CCOC(=O)N1CC[C@@](C)(N2CCC(O)CC2)C1 95081535 KAORKQKJTABAMV-CYBMUJFWSA-N 256.346 1.064 0 50 CDAA Cc1cc(NCc2nc3ccc(F)cc3[nH]2)nc(N)n1 91665154 SOETWXZUCQMWPD-UHFFFAOYSA-N 272.287 1.995 0 50 CDAA C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)c1ncn(C)n1 294588690 HGQLLMCZRDDJNT-QWRGUYRKSA-N 260.341 1.803 0 50 CDAA O=C(NCCn1cnc2ccccc21)N1CCOCC1 299415381 TUEQLEKFBDKWPP-UHFFFAOYSA-N 274.324 1.078 0 50 CDAA CC[C@@H](NC(=O)c1cncn1C)c1nccs1 348740132 MHSXLJHPDRZZDO-MRVPVSSYSA-N 250.327 1.758 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NC1(c2ccccc2F)CC1 268956282 VJRJYJIDAWRESD-BDAKNGLRSA-N 263.268 1.652 0 50 CDAA CC(C)(C)OC(=O)NC[C@]1(C(=O)O)C[C@@]12CCOC2 601014779 HOZRVYWAQQWMNY-OLZOCXBDSA-N 271.313 1.393 0 50 CDAA COc1cc(C(F)(F)F)nc(N2CCOCC2)n1 623788507 CBSBYYOYCZQLMV-UHFFFAOYSA-N 263.219 1.341 0 50 CDAA CCOc1ccc(S(=O)(=O)n2cncn2)cc1C 252494998 OKIXMXDVTJJVDV-UHFFFAOYSA-N 267.310 1.222 0 50 CDAA CCCc1nc(C)cc(=N[C@@H]2CC=CC[C@H]2C(N)=O)[nH]1 534585994 HPZARWOEPGKUFW-VXGBXAGGSA-N 274.368 1.391 0 50 CDAA C[C@H](OC1CCCCCC1)C(=O)N1C[C@H](C)[C@H](O)C1 351867377 YQJJQYKFYGZNQU-SGMGOOAPSA-N 269.385 1.954 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)N(C)Cc1ccoc1 534670773 LOIVSYIBLOKLKL-RYUDHWBXSA-N 268.313 1.225 0 50 CDAA COC(=O)c1cccc(-n2c(=O)[nH]c3cccnc32)c1 299738183 HDSUYHIONZVYNK-UHFFFAOYSA-N 269.260 1.500 0 50 CDAA COC(=O)C[C@H](c1ccco1)c1c(O)cc(C)n(C)c1=O 824134516 FQFGUKYSFGIXJP-SNVBAGLBSA-N 291.303 1.687 0 50 CDAA biogenic C[C@@H](NC(=O)CCS(C)(=O)=O)c1ccc2[nH]ccc2c1 827996477 HNMHXCOVHGMLRX-SNVBAGLBSA-N 294.376 1.780 0 50 CDAA Cc1cc(C)n(CCNC(=O)C2(C)CCCC2)c(=O)n1 825132079 WMJMNYBXYCAQEO-UHFFFAOYSA-N 277.368 1.557 0 50 CDAA CCC(=O)N1CCC(C(=O)N2CCCC[C@H]2CO)CC1 828710800 GICIXGSTYSANCF-ZDUSSCGKSA-N 282.384 1.008 0 50 CDAA CCOC(C)(C)C(=O)N[C@H](COC)c1ccccn1 824347099 CJGYIBSPCBRMLN-GFCCVEGCSA-N 266.341 1.700 0 50 CDAA O=C(N1CCC(Cc2cccnc2)CC1)C1(CO)CC1 584898965 XZUMZXJRQACJSB-UHFFFAOYSA-N 274.364 1.635 0 50 CDAA Cc1nncn1CCN1CCCC2(CCNCC2)C1 825297045 MIMRXDUUPKYVDN-UHFFFAOYSA-N 263.389 1.052 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2ccn(CC)c(=O)c2)C1 584892213 IJKCOSYUTOHOAH-ZDUSSCGKSA-N 292.379 1.757 0 50 CDAA CS(=O)(=O)CCN1CC(Oc2cccc(Cl)c2)C1 670450494 VMUXNYCWIIVAHR-UHFFFAOYSA-N 289.784 1.448 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)CCn1c(C)cccc1=O 584889560 OVVZIRDUFSTQKO-UHFFFAOYSA-N 288.351 1.237 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2ccc3nnnn3c2)cs1 584884074 INZCLOSYNPYFSW-SSDOTTSWSA-N 288.336 1.380 0 50 CDAA O=C(c1csnn1)N1CC(OCc2ccccc2)C1 1146820133 VYVMCYFNPPIKTC-UHFFFAOYSA-N 275.333 1.579 0 50 CDAA COc1nc(NCC2(N(C)C)CCCC2)ncc1F 584901058 QILHDGHZWQECQE-UHFFFAOYSA-N 268.336 1.911 0 50 CDAA CC(=O)NCCc1nc(COc2cccc(F)c2)n[nH]1 670468803 CYFUFMBDARNTJC-UHFFFAOYSA-N 278.287 1.201 0 50 CDAA O=C(CCC(F)(F)F)NCCN1CCC[C@H](CO)C1 670455430 WTIPOEXXQXDSLA-JTQLQIEISA-N 282.306 1.149 0 50 CDAA COc1ccc2[nH]c(CN3C[C@H](O)[C@@H](OC)C3)c(C)c2c1 670470246 FZGSQLOTGRYSQH-HOTGVXAUSA-N 290.363 1.676 0 50 CDAA C[C@H](NS(=O)(=O)N1CCCC1)C1=CCCCC1 670463583 KPMRXPKWMHZOKT-NSHDSACASA-N 258.387 1.806 0 50 CDAA C[C@H]1CCNC[C@@H]1c1ccc(NS(C)(=O)=O)cc1 757213910 RZIZQCUAZLZPGL-GWCFXTLKSA-N 268.382 1.771 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(OCCO)cc2)[C@H](C)CN1C 952884887 OTDLDEAFNLYKHH-QWHCGFSZSA-N 292.379 1.222 0 50 CDAA C[C@H](C(=O)/N=c1/ccnc2n(C)[nH]cc1-2)c1cccnc1 1875252769 OCJWPBPBRDHLDS-XEVDPLJKSA-N 281.319 1.479 0 50 CDAA CN(C)c1nc2ccccc2c(=N[C@@H]2CCCOC2)[nH]1 1875286239 LWNRLLAGWFWGIM-LLVKDONJSA-N 272.352 1.709 0 50 CDAA COC(=O)c1c(NC(=O)c2ccc3c(c2)CC3)c(C)nn1C 1875322170 KTLLXNJYDBQIJK-UHFFFAOYSA-N 299.330 1.866 0 50 CDAA CC(C)(O)[C@@H](NC(=O)c1cc(O)nc(C2CC2)n1)C1CC1 1875397368 XSZSNTOIGJZPHQ-LBPRGKRZSA-N 291.351 1.339 0 50 CDAA Cc1ccoc1C(=O)NCC1CCN(CCC(=O)O)CC1 952979420 IOPYBNFBFWCWGR-UHFFFAOYSA-N 294.351 1.505 0 50 CDAA CC1=C(C(=O)N(CC2CC2)C[C@H]2CCCO2)OCCO1 952967558 KGOBFSQMWZPTMP-CYBMUJFWSA-N 281.352 1.682 0 50 CDAA CCOCC(=O)Nc1ccccc1N1C(=O)N[C@H](C)C1=O 952989294 UPVZSRKADKEJHN-SECBINFHSA-N 291.307 1.106 0 50 CDAA COC1(CN2C[C@H](n3ccnn3)[C@H](N(C)C)C2)CCCC1 888094509 XGMVPOSNXMMMGF-KGLIPLIRSA-N 293.415 1.024 0 50 CDAA Cc1ccc(C(=O)N2CCCN(C)S2(=O)=O)c(F)c1 888099511 NQOVQAHDOBVDQQ-UHFFFAOYSA-N 286.328 1.157 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cc(F)c[nH]2)C1 888077512 FYQGTJIEPDDQKU-MWLCHTKSSA-N 278.287 1.479 0 50 CDAA Cn1cc(C(=O)N[C@H]2CCOC23CCCCC3)ccc1=O 888302936 IAUCRMVOPNOSOJ-ZDUSSCGKSA-N 290.363 1.607 0 50 CDAA Cc1cc(C)c(C(=O)N[C@H]2CCO[C@H]2c2nc[nH]n2)[nH]1 1775960000 MLBOGTHZXKMKIL-GXSJLCMTSA-N 275.312 1.010 0 50 CDAA C[C@@H](C(=O)O)N1CCN([C@@H](C)c2cccnc2)CC1 86753966 MNOASTVOXWJULC-RYUDHWBXSA-N 263.341 1.233 0 50 CDAA CO[C@@H](C(=O)NC[C@H](O)c1cncs1)c1ccccc1 1363587426 PYRPSHQRMCPXSC-WCQYABFASA-N 292.360 1.680 0 50 CDAA CC1(C)C[C@H](NC(=O)c2cnn3cccnc23)CCO1 270023227 WNQNNFSACCIVOY-SNVBAGLBSA-N 274.324 1.417 0 50 CDAA Cn1ncc2c(=O)ccn(CCO[C@H]3CC3(F)F)c21 664024030 FJBNZGKGJJIJKS-JTQLQIEISA-N 269.251 1.159 0 50 CDAA Oc1ccc(CN2CCN(c3cccnn3)CC2)cc1 170087900 UYLBQNCCOGGRNO-UHFFFAOYSA-N 270.336 1.504 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3C[C@@H](C)CCN3C2=O)n1 170613913 OJBUPUIBZFZGOP-ONGXEEELSA-N 259.309 1.957 0 50 CDAA OCc1cn([C@H]2CCCN(CCc3cccnc3)C2)nn1 550225744 OEMASBUNMACICD-HNNXBMFYSA-N 287.367 1.045 0 50 CDAA O=C(Nc1ccc(F)cn1)N1C[C@H]2CC[C@@H](O)C[C@H]2C1 666648309 YYBDGLJMKPUWKA-JFGNBEQYSA-N 279.315 1.845 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1oc(C)cc1C 643942006 TWLWVRCPSKFJDO-CQSZACIVSA-N 280.324 1.003 0 50 CDAA CC[C@H]1C(=O)NCCN1C[C@H](C)CNC(=O)OC(C)(C)C 585116609 CQSXNZCCILEQHX-NEPJUHHUSA-N 299.415 1.358 0 50 CDAA C/C=C/[C@H](O)C(=O)NCc1cccnc1OCCCC 585120984 AYEDYRLQIQYOAV-LVDDQXARSA-N 278.352 1.814 0 50 CDAA CO[C@H](C(=O)NCc1cccc(C(=O)O)c1)[C@H]1CCOC1 656474981 LORVLRDUZQUHHA-STQMWFEESA-N 293.319 1.053 0 50 CDAA CCN(C(=O)c1ccnn1CC(C)C)[C@H](C)C(=O)O 663123615 DPKCZQBDHVBYQI-SNVBAGLBSA-N 267.329 1.474 0 50 CDAA CN1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(C(=O)O)n1 97716894 NNGYCHMZABAFJW-OLZOCXBDSA-N 275.352 1.448 0 50 CDAA CCN1CCCC[C@H]1CNc1ncccc1C(N)=O 1506424204 ZIXZNKJJCRWOOW-NSHDSACASA-N 262.357 1.467 0 50 CDAA O=C1C[C@H]2CN(Cc3ccncc3Cl)C[C@H]2N1 1857709140 HPRGKROANLFDCD-GXSJLCMTSA-N 251.717 1.055 0 50 CDAA C[C@@]1(O)CCOC2(CCN(Cc3nccs3)CC2)[C@H]1O 1704310789 SPNUMKSMLNTDTE-QWHCGFSZSA-N 298.408 1.010 0 50 CDAA C=CC(=O)NCc1cc(Cl)c2c(c1)OCCO2 848979197 OZAQSFPMERDLAE-UHFFFAOYSA-N 253.685 1.913 0 50 CDAA CN(CC(=O)O)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 237149588 WZIPXEVTESPYNK-NXEZZACHSA-N 267.712 1.987 0 50 CDAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CC[C@@H](N)C2)c1 237587347 PBUWPKUYHNWFDF-WDEREUQCSA-N 282.771 1.975 0 50 CDAA N[C@@H](Cc1cn([C@H]2C=CCCCCC2)nn1)C(=O)O 1601176355 ONLLVNIOUWOCQK-RYUDHWBXSA-N 264.329 1.294 0 50 CDAA CCOc1ccc(CC(=O)N2CCC[C@@H](N)C2)cc1 157699935 FUAOASIGIRLOEP-CYBMUJFWSA-N 262.353 1.578 0 50 CDAA CCc1ccc(CC(=O)N[C@H]2C[C@H](N)C23CCC3)nc1 1615555193 OPKKUNJNRLTNAB-KBPBESRZSA-N 273.380 1.573 0 50 CDAA CC(C)(NC(=O)c1ocnc1C1CC1)[C@H](O)C(F)(F)F 1615547222 GIKLFXXQHHSMQG-JTQLQIEISA-N 292.257 1.984 0 50 CDAA Cn1ncc(C2CC2)c1CNC(=O)[C@@H]1C[C@@H]2C[C@@H](N)[C@@H]2C1 1615554136 QIRBPRCYCDYYLE-HKUMRIAESA-N 288.395 1.287 0 50 CDAA COc1ccccc1OCCN1CCC(O)(CCN)CC1 1616041520 XXNXLVZMCFHJAN-UHFFFAOYSA-N 294.395 1.250 0 50 CDAA Cc1nc[nH]c1CC(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775976874 AWWBCFBWYKPYJF-INIZCTEOSA-N 299.378 1.490 0 50 CDAA CN1C[C@@H](CN2CCC(N3CCCC3)CC2)CCC1=O 1775980650 GIYZRLONNFEDGW-AWEZNQCLSA-N 279.428 1.415 0 50 CDAA C[C@@]12C[C@H]1CN(CCCOc1ccc(C(N)=O)cc1)C2 1772807449 XCHRXAHEZFNSKF-BBRMVZONSA-N 274.364 1.896 0 50 CDAA O=C(Cn1ccc2ccccc21)N1C[C@H]2C[C@H](O)[C@H]2C1 1772704637 KCTGEYOXBZPIGN-IPYPFGDCSA-N 270.332 1.481 0 50 CDAA COc1cccc(-n2nnc(C(=O)O)c2C2CC2)c1 11760436 FXRLKYHWHDVFKX-UHFFFAOYSA-N 259.265 1.852 0 50 CDAA O=C1C[C@@H](NCc2c[nH]cn2)CN1C1Cc2ccccc2C1 12196528 WQYXTPJCDNZXCL-CQSZACIVSA-N 296.374 1.268 0 50 CDAA c1coc(CCNc2nc3nonc3nc2NC2CC2)c1 12199787 AQAXKNHOKDRRPP-UHFFFAOYSA-N 286.295 1.835 0 50 CDAA CCOc1ccc(NC(=O)[C@H](C)Cn2cncn2)cc1 12420421 SOWGYHCMSQVHEM-LLVKDONJSA-N 274.324 1.952 0 50 CDAA O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O 13517387 PADQINQHPQKXNL-LSDHHAIUSA-N 288.255 1.481 0 50 CDAA endogenous,in-man COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 169297729 ZSIKAGWRGIBEAD-NDBYEHHHSA-N 289.287 1.288 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3)C[C@H]2N1 1857690686 ONMDWTODAQVCNE-GXSJLCMTSA-N 298.264 1.666 0 50 CDAA CCNc1nccnc1N1C[C@H](C)O[C@H](C2CC2)C1 408521891 ACBUTYXKKHRDKQ-JQWIXIFHSA-N 262.357 1.912 0 50 CDAA Cc1cn2c(n1)CC[C@@H](NC(=O)c1c(O)cccc1F)C2 122364213 CBRVUHCADAPCEG-SNVBAGLBSA-N 289.310 1.781 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](O)(C2(C(=O)O)CCC2)C1 757120768 IHTIALCWMNBAMV-AWEZNQCLSA-N 285.340 1.613 0 50 CDAA CN1C[C@@H](NCc2cccc(-c3cnn(C)c3)c2)CC1=O 372372484 HDBVGUHLYVUUPA-HNNXBMFYSA-N 284.363 1.407 0 50 CDAA O=C(OCc1ccccc1)N1CC(NC2CCOCC2)C1 397347613 HCXMBKFMBXHPAM-UHFFFAOYSA-N 290.363 1.776 0 50 CDAA Cc1noc(CNC(=O)[C@](C)(O)c2ccc(F)cc2)n1 930373518 XGNASWWHZDXTTP-CYBMUJFWSA-N 279.271 1.041 0 50 CDAA CC(=O)N1CCN(Cc2cnon2)CC12CCCCC2 851884449 QXDCEXAYNZPQHI-UHFFFAOYSA-N 278.356 1.437 0 50 CDAA O=C(CCCOCc1ccccc1)N1C[C@H]2C[C@@H](O)[C@H]2C1 1772712849 SCYZOLNOUSTULY-OWCLPIDISA-N 289.375 1.823 0 50 CDAA C[C@H](NC(=O)CN1CCN(C)CC1)[C@H]1C[C@H]2CC[C@H]1C2 101850763 SYWAHBJBGJBKDY-ZQDZILKHSA-N 279.428 1.175 0 50 CDAA c1csc(CN2CC[C@H](N3CCOCC3)C2)c1 121082280 FDIBAPLNHBYGAD-LBPRGKRZSA-N 252.383 1.655 0 50 CDAA C[C@@H](CC(=O)N1C[C@@H](C)OC[C@H]1C)[C@@H]1CCCNC1 251704645 OJDVBUFDOCBURR-REWJHTLYSA-N 268.401 1.648 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)C12CCC2 110681555 CEYLBUOEZOWPFB-DHGKCCLASA-N 294.395 1.953 0 50 CDAA O=C1NCCn2c3c(c(Br)c21)CCCC3 219864071 UMLMHHIHKQACAJ-UHFFFAOYSA-N 269.142 1.873 0 50 CDAA COCC[C@H]1CN(Cc2cccnc2OC)CCO1 670447615 YVOIMQKKZHTHFY-ZDUSSCGKSA-N 266.341 1.328 0 50 CDAA O=C(Nc1ccc2nncn2c1)[C@H]1C[C@H]2CC[C@H]1NC2 584584857 CZOMPLXQTCNIAB-ADEWGFFLSA-N 271.324 1.056 0 50 CDAA COc1ccc(-c2nc3nnc(C)n3[nH]2)c(OC)c1 2491568 OKSNRORVLMCNRE-UHFFFAOYSA-N 259.269 1.445 0 50 CDAA Cn1cnc2c[nH]c(=NCCCc3ccccn3)nc21 2100547548 KLCHICXHWCOPQO-UHFFFAOYSA-N 268.324 1.225 0 50 CDAA CC1(C)C[C@@H]1C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1 2325822035 XTRJBIMNRMRMJK-LLVKDONJSA-N 287.319 1.938 0 50 CDAA O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccs1 249498 XWOHCMGPTHFPGR-UHFFFAOYSA-N 297.357 1.955 0 50 CDAA COC(=O)c1c(C)oc2ccc(OS(C)(=O)=O)cc12 2415565 MMCDITXJDZLCQA-UHFFFAOYSA-N 284.289 1.866 0 50 CDAA COC(=O)c1nc(SC)ncc1Br 2548385 MYZJIEWTRJTWCD-UHFFFAOYSA-N 263.116 1.748 0 50 CDAA COc1cccc(NC(=O)C(=O)N2CCCCC2)c1 2845952 PZMUXPKIPCWZOY-UHFFFAOYSA-N 262.309 1.646 0 50 CDAA Cc1cc(O)nc(C)c1NC(=O)COC[C@@H]1CCCO1 2356151071 PWKRECWXFMTUFE-NSHDSACASA-N 280.324 1.538 0 50 CDAA CCOC(=O)c1cc(=O)n(C)c2ccc(OC)cc12 4824190 ATAGCZMMNXVWSM-UHFFFAOYSA-N 261.277 1.724 0 50 CDAA O=C1NC(=O)[C@@](c2ccccc2)(c2ccc(F)cc2)N1 6116537 JTNOMKRGDRAHGJ-OAHLLOKOSA-N 270.263 1.909 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)N1CCCc2ccccc21 6700224 BSNCUQGZRIXWGG-UHFFFAOYSA-N 291.376 1.870 0 50 CDAA CCOC(=O)NCCC(=O)N1CCC[C@](C)(OC)CC1 225435813 DGMPFNZLNUNZGX-AWEZNQCLSA-N 286.372 1.540 0 50 CDAA OC[C@@H](CNc1ncc(Cl)cc1F)[C@H]1CCOC1 281131331 YXKOSWDXZXYSDH-DTWKUNHWSA-N 274.723 1.931 0 50 CDAA CCOC(=O)c1c(C)nn(-c2ccc(N)cn2)c1C 1406493 SQRUUIIZZJFBLT-UHFFFAOYSA-N 260.297 1.643 0 50 CDAA O=C(CN1CCOCC1)Nc1ccc(F)c(F)c1 20706451 FOPWIOVSTIEYAL-UHFFFAOYSA-N 256.252 1.236 0 50 CDAA Cc1nn(C)c2nccc(N(C)[C@H](C)C[S@](C)=O)c12 420614343 WYMMJWAPULXVIZ-HOGDKLEQSA-N 280.397 1.480 0 50 CDAA C[C@@](O)(CN1CCC[C@H]1Cn1cncn1)c1ccccc1 248320895 SXWOUWINBAGOIO-JKSUJKDBSA-N 286.379 1.650 0 50 CDAA CCN(CC)CCNc1nccc(N2CCC[C@H](O)C2)n1 65383782 KIKCGZRCZSKXIK-ZDUSSCGKSA-N 293.415 1.191 0 50 CDAA CC(C)Cc1n[nH]c(CCCN2CCCCC2=O)n1 65433301 AAXZFVHUWZYISY-UHFFFAOYSA-N 264.373 1.948 0 50 CDAA Cn1ncnc1-c1ccnc(N2CCCC(F)(F)C2)n1 65488655 HCBOHSQYASIHRV-UHFFFAOYSA-N 280.282 1.508 0 50 CDAA CSC1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 601609567 ODTIUPVNUPWKGP-SNVBAGLBSA-N 294.424 1.804 0 50 CDAA Cc1cc(CC(=O)NCCC[C@H]2CCOC2)on1 67840609 NUDUBGAVSPZPFJ-NSHDSACASA-N 252.314 1.458 0 50 CDAA C[C@H](CCCO)Nc1nc(C(F)(F)F)nc2[nH]cnc12 252487603 HYEVLQJIKLHMOX-ZCFIWIBFSA-N 289.261 1.945 0 50 CDAA CCOCCN1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 252474774 MACWBFHZFSCYFM-NVXWUHKLSA-N 292.423 1.763 0 50 CDAA CCOC(=O)c1cnn(-c2ccc(Cl)nn2)c1 145432375 GLLCWTIAMNEXLX-UHFFFAOYSA-N 252.661 1.492 0 50 CDAA CNCCc1noc(COc2ccc(F)cc2F)n1 66323521 CWFPHAGHJMWFJB-UHFFFAOYSA-N 269.251 1.689 0 50 CDAA CNCCCNC(=O)Cc1nc(-c2ccco2)oc1C 121403536 FJSVJOOVPUUQQP-UHFFFAOYSA-N 277.324 1.511 0 50 CDAA COC(=O)c1sccc1NC(=O)c1c[nH]nc1C 1399822 GQRMNKDNPNTOMS-UHFFFAOYSA-N 265.294 1.819 0 50 CDAA Cc1nn(C)cc1[C@@H](C)Nc1ncnc2[nH]cnc12 32561801 XNOPPSBPXGCVMD-SSDOTTSWSA-N 257.301 1.568 0 50 CDAA CCCc1cnc(C)nc1NC[C@H]1CNCCOC1 72134720 HRBPQSXWJAXJFS-GFCCVEGCSA-N 264.373 1.385 0 50 CDAA COc1cc(N2CCC[C@@H](CCN)C2)nc(OC)n1 32560957 AUWFVXNLQUDNEB-JTQLQIEISA-N 266.345 1.059 0 50 CDAA Cn1cc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)cn1 32561008 RTFQBBSNAZSORO-INIZCTEOSA-N 287.363 1.453 0 50 CDAA C[C@H]1CCN(C)c2ccccc2N1Cc1nnnn1C 366101604 GUMKQOFNKJHRCA-NSHDSACASA-N 272.356 1.445 0 50 CDAA O=C(NC[C@@H]1CCCC[C@H]1O)c1cccnc1S 155797857 LJNGCVXUBJMLFX-GXSJLCMTSA-N 266.366 1.651 0 50 CDAA CCO[C@@H](C)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237023737 VXXUTJHKPPMHOF-QWRGUYRKSA-N 257.330 1.515 0 50 CDAA CNCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 237193193 FCSCBUJATXOKRQ-GWCFXTLKSA-N 250.317 1.955 0 50 CDAA Cc1nc(-c2ccncc2)nc(N2C[C@@H]3CNC[C@@H]3C2)c1C 333538076 NKVIHYIWXRNVDJ-GASCZTMLSA-N 295.390 1.811 0 50 CDAA Cc1nnc([C@@H](C)OC(=O)c2cccc3[nH]c(=O)oc23)o1 128746312 NTLIFKCGTLAEAU-ZCFIWIBFSA-N 289.247 1.731 0 50 CDAA COC(=O)CCNC(=O)c1cccc(Br)c1 32991433 YVXHTPOPFPANLG-UHFFFAOYSA-N 286.125 1.742 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN[C@@H](C)C1 237759746 GAPDQLJWCSOKMW-AEGPPILISA-N 258.365 1.919 0 50 CDAA C[C@H]1CCCN(C(=O)/C=C/c2cncc(F)c2)[C@H]1CN 237711043 ZFISHVYAGOMTPU-NBOIIBAUSA-N 277.343 1.820 0 50 CDAA C[C@@H]1[C@@H](C(=O)N2CC(n3cncn3)C2)[C@@H]1c1ccccc1 373817722 BQRYGRPLGRDMIW-TUKIKUTGSA-N 282.347 1.711 0 50 CDAA CC(C)(C)c1csc(CNC(=O)[C@H]2C[C@H]2C(=O)O)n1 262444386 VDFBLGLYUDTKED-JGVFFNPUSA-N 282.365 1.778 0 50 CDAA O=C(c1cc(-n2cccc2)ccn1)N1C[C@@H](O)C2(CC2)C1 335974165 TVOHRPTWQMJPJE-CQSZACIVSA-N 283.331 1.469 0 50 CDAA Cc1ccc(C(=O)NC[C@H]2CCNCC2(F)F)cc1 336215026 PRMQLOJZMOMDQK-GFCCVEGCSA-N 268.307 1.970 0 50 CDAA C[C@@H]1CNC(=O)CCN1c1cc(Cl)c2cc[nH]c2n1 72147361 MRRVWOYKIJXKEN-MRVPVSSYSA-N 278.743 1.931 0 50 CDAA COC(=O)c1n[nH]c2ncc(Br)cc12 44682267 NWAGLGKQKQZPHF-UHFFFAOYSA-N 256.059 1.507 0 50 CDAA COCCS(=O)(=O)Cc1ccc(F)cc1F 176454274 ZDWWNAKRXYETCB-UHFFFAOYSA-N 250.266 1.526 0 50 CDAA CC(C)(C)c1ccnc(NC[C@@](C)(O)C(=O)O)n1 263568548 YORXAWSJWLSLAD-GFCCVEGCSA-N 253.302 1.022 0 50 CDAA Cc1nc(CC2CC2)sc1C(=O)NCC(=O)O 263574823 OABRRLJIATXBDA-UHFFFAOYSA-N 254.311 1.218 0 50 CDAA COc1ccc2c(C(=O)NCCC(N)=O)cc(C)nc2c1 426421881 NHKOFRCHWLJXQM-UHFFFAOYSA-N 287.319 1.157 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)c2cn(C)c(C)cc2=O)[nH]1 426628186 HKZXAQIMUCEMML-SNVBAGLBSA-N 274.324 1.216 0 50 CDAA COCCn1cnnc1[C@H](C)NC(=O)c1cc(Cl)c[nH]1 426593537 BUOCCAPEWDWMID-QMMMGPOBSA-N 297.746 1.397 0 50 CDAA NC[C@@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 178546055 BJZMOVOPVZHKGI-ZDUSSCGKSA-N 274.364 1.896 0 50 CDAA COc1ccccc1/C(C)=C/C(=O)N1CC[C@H](CN)C1 178571546 PNFYAMCHDYOILI-CNELAYHGSA-N 274.364 1.906 0 50 CDAA CCn1cc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)cn1 91644641 DFEZYAJVBVPYKY-KGLIPLIRSA-N 278.400 1.561 0 50 CDAA CCN1CCN(C(=S)c2ccc(O)cc2)CC1 96134184 CCGJOMGWGAAKFE-UHFFFAOYSA-N 250.367 1.705 0 50 CDAA COCc1cccc(C(=O)NCC[C@@H]2CCCN2)c1 97514249 IGHHNGJJAUXOQG-AWEZNQCLSA-N 262.353 1.705 0 50 CDAA CCc1nc(N2CCC(c3nc[nH]n3)CC2)ncc1C 426489830 ZSTCJKFARAYDMM-UHFFFAOYSA-N 272.356 1.850 0 50 CDAA CC(C)C[C@@H]1OC[C@@]2(CO)CO[C@H](CC(C)C)N12 239235850 WVIBOVJKLKXJBC-BTTYYORXSA-N 257.374 1.824 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 426395919 GUJAVZVAFYAHBZ-ZETCQYMHSA-N 291.229 1.508 0 50 CDAA O=C1NCCCN(CCn2cccn2)[C@H]1Cc1ccccc1 292979747 MYVOFVJGHUGRRC-INIZCTEOSA-N 298.390 1.316 0 50 CDAA Cc1nn(C(C)C)c(C)c1CC(=O)N[C@@H]1C=C[C@H](CO)C1 293217180 DDYXKENDDTUIDQ-UONOGXRCSA-N 291.395 1.677 0 50 CDAA COCCN(CC1CC1)C(=O)c1cc2ncccn2n1 97637854 SHFQEBRVNAOZKH-UHFFFAOYSA-N 274.324 1.228 0 50 CDAA CN1CC[C@@]2(CCN(C(=O)c3ocnc3C3CC3)C2)C1 293871281 LGFWFRNHLFJDTJ-OAHLLOKOSA-N 275.352 1.720 0 50 CDAA O=C(O)CCNS(=O)(=O)Cc1cccc(Cl)c1 243357434 LYJILUKOYJABRW-UHFFFAOYSA-N 277.729 1.234 0 50 CDAA COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H]2[C@H]3[C@H]4CC[C@H]5[C@H]4[C@H]2[C@H]1[C@H]53 247844301 PDIHXXLOKWQAAY-ANARLIQGSA-N 276.332 1.343 0 50 CDAA CC(C)OCCCNc1cc([C@H]2C[C@@H](O)C2)nc(N)n1 244795186 RBEMMOXNAMTGMA-PHIMTYICSA-N 280.372 1.524 0 50 CDAA O=C(Nc1ccnnc1)Nc1cc2n(n1)CCCC2 297430472 OIRPUTUCUJWOEM-UHFFFAOYSA-N 258.285 1.653 0 50 CDAA COc1ccccc1C1CCN(C(=O)[C@H]2C=CCN2)CC1 534580390 DRVKUGPOVBFSMV-OAHLLOKOSA-N 286.375 1.929 0 50 CDAA O=C(N[C@H]1CO[C@@H](C2CC2)C1)c1nc[nH]c2nccc1-2 629121962 UREWDIGYGIJKCX-MWLCHTKSSA-N 272.308 1.207 0 50 CDAA CC[C@@H]1CN(CCN)Cc2cc(OC)ccc2O1 299761679 YZGVYMDQHNCGTA-GFCCVEGCSA-N 250.342 1.627 0 50 CDAA FC(F)(F)c1noc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)n1 825720645 QYSBIYCWLOUHKB-SPJNRGJMSA-N 288.273 1.271 0 50 CDAA COc1cccc2ncn(CC[C@H](C)N(C)C)c(=O)c12 584895980 KJNIPVBDVCSKFK-NSHDSACASA-N 275.352 1.745 0 50 CDAA CCCNC(=O)Cn1ccc(Br)cc1=O 585122851 BTERQPOONKSANJ-UHFFFAOYSA-N 273.130 1.137 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1nc2ccccc2[nH]1 584902987 MKEUQLGCGVMIPC-LLVKDONJSA-N 283.335 1.968 0 50 CDAA OCc1ccc2c(c1)CN(C[C@@H]1CCCCO1)CCO2 670454105 KCMKMDZUNYEQRG-HNNXBMFYSA-N 277.364 1.942 0 50 CDAA C[C@H](NC(=O)Cn1ccccc1=O)C1=CCCCC1 670472120 AKGWRSURMXPBOA-LBPRGKRZSA-N 260.337 1.853 0 50 CDAA Cc1nc([C@H](C)NC(=O)Cc2c(C)noc2C)n[nH]1 670452988 SUVWGVCCZVLTSI-ZETCQYMHSA-N 263.301 1.138 0 50 CDAA CCN1CCCC[C@@H]1CNc1ncc(F)c(OC)n1 670458649 BINTVEGGDNPIMG-SNVBAGLBSA-N 268.336 1.911 0 50 CDAA O=C(C[C@@H](O)c1cccc(F)c1)NC[C@H]1CCCN1 864092205 NFDSXKWCNRHJLN-CHWSQXEVSA-N 266.316 1.117 0 50 CDAA C[C@@H]1N[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)CC[C@@H]1N 757211889 KQKXTGCKNQULAL-SSRBZLIGSA-N 265.323 1.385 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239439102 ZKUKAPRFCHJVNA-KALVJPODSA-N 281.352 1.560 0 50 CDAA CCNC(=O)CN(C)Cc1nccc(Cl)c1Cl 952994176 NCTOOYFKZXSOLA-UHFFFAOYSA-N 276.167 1.956 0 50 CDAA O=S(=O)(CCn1cc(C2CC2)nn1)c1ccccn1 1875282832 UKTGWGGKBXHBJG-UHFFFAOYSA-N 278.337 1.024 0 50 CDAA CCCn1cnc(NS(=O)(=O)c2cnn(CC)c2)c1 1875280140 WKNJKRMRSARGPB-UHFFFAOYSA-N 283.357 1.310 0 50 CDAA CC1(C)NC(=O)O[C@]12CCN(C(=O)NCC1CC1)C2 1875298022 LZWLXSSEARYMGE-ZDUSSCGKSA-N 267.329 1.069 0 50 CDAA Cc1[nH]nc2ncc(CN(C)C[C@H]3CCCN3)cc12 1875298967 UHWNTZLXEVGMIT-GFCCVEGCSA-N 259.357 1.450 0 50 CDAA Cc1cc(CNS(=O)(=O)C[C@@H]2C[C@H]2C(F)F)no1 1875289669 IFPITGRDOFGSKP-IONNQARKSA-N 280.296 1.304 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ncc(C2(O)COC2)s1 1875295885 TZZKNERLGDASTG-IUCAKERBSA-N 298.364 1.115 0 50 CDAA Cc1ccc2c(c1)C(=O)N(c1ccncc1)S(=O)(=O)O2 1875311595 GJKRDRNHSBPCIE-UHFFFAOYSA-N 290.300 1.674 0 50 CDAA CC[C@@H]1C=CCN1S(=O)(=O)c1cc(C(N)=O)cs1 952987548 OKCGGCHZLCLLQD-SECBINFHSA-N 286.378 1.186 0 50 CDAA CC[C@@H](NC(=O)C1=C(C)OCCO1)c1ccncc1 952973894 SGCHABMIFLHHQZ-GFCCVEGCSA-N 262.309 1.927 0 50 CDAA Cc1csc(C2(NC(=O)[C@@H]3C[C@H]3C(=O)O)CCC2)n1 268927464 WRITVEDFWRPFET-RKDXNWHRSA-N 280.349 1.668 0 50 CDAA CCOC(=O)c1cc(Nc2cnn(C)c2C)nc(C)n1 882082788 VBNCWAJOYNVRKH-UHFFFAOYSA-N 275.312 1.747 0 50 CDAA CSc1cccc(B(O)OC(C)(C)C(C)(C)O)c1 169917392 NZVYPRWVPZUNGO-UHFFFAOYSA-N 268.187 1.662 0 50 CDAA CC(=O)N1C[C@H](NCc2ncc[nH]2)CC[C@H]1C(F)(F)F 886034083 KNOVOOFVUIKBOQ-ZJUUUORDSA-N 290.289 1.441 0 50 CDAA CC(C)c1cncc(NC(=O)[C@@H]2CCCNC2=O)c1 888236690 BUPXLWCEFIGWQA-GFCCVEGCSA-N 261.325 1.670 0 50 CDAA O=C(c1c(F)cccc1F)N1CCC2(CC1)OCCO2 16605962 TWEUJYAGAFAALY-UHFFFAOYSA-N 283.274 1.944 0 50 CDAA O=C(NCCCCc1ccccc1)N1CC[C@@H](O)[C@@H](O)C1 1565514531 YNXYLEZOTHNRRC-CABCVRRESA-N 292.379 1.146 0 50 CDAA C[C@H]1CN(C(=O)CCN2CCCC2)CC[C@]1(O)C1CCC1 1565531423 OCILHDJTOXEUAY-WMLDXEAASA-N 294.439 1.872 0 50 CDAA O=C(NC1CC1)c1ccc(C(=O)N2CC[C@H](CO)C2)cc1 270386821 QXCMAFZVHICEHF-NSHDSACASA-N 288.347 1.033 0 50 CDAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(C)c1ccn(C)n1 408473923 SDOIABNIALHAMC-CHWSQXEVSA-N 299.378 1.550 0 50 CDAA Cc1cc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)ccn1 408473558 WVUOEPKCUDQALC-LSDHHAIUSA-N 289.379 1.497 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1nncc2ccccc12 1580599372 XTIOHAGAXONZTO-CZUORRHYSA-N 282.347 1.644 0 50 CDAA NC(=O)c1cc(Br)ccc1OCC(=O)O 86014456 HXYYLXKSSIEFTG-UHFFFAOYSA-N 274.070 1.011 0 50 CDAA in-vitro O=C(c1cc(F)c(F)c(F)c1F)N1CCOC[C@H]1CO 168546405 BIBRQEJWBNLYGR-ZCFIWIBFSA-N 293.216 1.076 0 50 CDAA O=C(CC1CSC1)N1CCC(c2nnc(O)o2)CC1 632880064 JNJKJKVNSAQQAC-UHFFFAOYSA-N 283.353 1.234 0 50 CDAA Cc1cc(CN2CC[C@]3(CCOC3)C2)nc(N(C)C)n1 170089675 LRELTQHZPIBKLG-HNNXBMFYSA-N 276.384 1.463 0 50 CDAA CN(C)c1cc(NC(=O)[C@@H]2COc3ccccc3C2)ncn1 278568544 NHLDIMGAYKGQDR-LBPRGKRZSA-N 298.346 1.732 0 50 CDAA CC(=O)NC(C)(C)c1noc(-c2ccnc(C)c2)n1 278708360 JWIUOMYAVWJLKQ-UHFFFAOYSA-N 260.297 1.811 0 50 CDAA Cn1[nH]cc2/c(=N\C(=O)[C@@H]3C[C@@H]3c3cccnc3)ccnc1-2 585080474 YIJLGFOFHKSTDL-LCJLFDQKSA-N 293.330 1.479 0 50 CDAA CC(C)[C@@H]1CN(Cc2cc(C(=O)O)nn2C)CCCO1 635311255 OREDDWPSZNABDT-ZDUSSCGKSA-N 281.356 1.365 0 50 CDAA Cc1nn(C)cc1NC(=O)N[C@H]1CCCOCC1 189652051 GEXPQKNPSPJYMA-JTQLQIEISA-N 252.318 1.419 0 50 CDAA COc1cncc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1 643856031 SDUCUMWXGJCIGQ-KGLIPLIRSA-N 288.351 1.775 0 50 CDAA C[C@@H]1CN(Cc2ccc(-n3ccnc3)nc2)C[C@H]1CO 191731354 HLGXJATWKZFPPS-OCCSQVGLSA-N 272.352 1.328 0 50 CDAA Fc1ccc(F)c(CN2CCOC[C@@]23CCOC3)c1 193724450 WPRVRNCBGVHDBZ-AWEZNQCLSA-N 269.291 1.956 0 50 CDAA COC(=O)[C@H]1CN(Cc2cc(Cl)cs2)CCO1 194379186 QKILYKKODLLJHS-SNVBAGLBSA-N 275.757 1.775 0 50 CDAA CO[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cn1 195569124 PXAWPESZZODQCI-VHSXEESVSA-N 253.277 1.910 0 50 CDAA O=C1CC[C@@H](CC(=O)Nc2c[nH]nc2-c2ccccc2)CN1 568837066 LSHZHVUHVQXWCJ-NSHDSACASA-N 298.346 1.932 0 50 CDAA Cc1nnc([C@H]2CN(Cc3ccncc3F)C[C@@H](C)O2)o1 661926403 UTPIRZXXIDENMY-NOZJJQNGSA-N 292.314 1.874 0 50 CDAA Cc1c(CN(C)C(=O)NCC2(N)CCCCC2)cnn1C 574384433 HNWMBXXHSMOTIQ-UHFFFAOYSA-N 293.415 1.532 0 50 CDAA CN(C)C(=O)c1cc(N2CCC[C@@H](c3cc[nH]n3)C2)ccn1 774518655 PPCHXPYJWZZNHC-GFCCVEGCSA-N 299.378 1.891 0 50 CDAA O=C(c1ccoc1Cl)N1CCC[C@@](O)(c2cnn[nH]2)C1 794071376 ZXUXGFARGKQKQB-LBPRGKRZSA-N 296.714 1.175 0 50 CDAA CN(CC(C)(C)CO)C(=O)c1cc(O)cc(C(=O)O)c1 1506417445 IUPVSSPYTDHWPT-UHFFFAOYSA-N 281.308 1.181 0 50 CDAA Cn1ccnc1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 1506418557 RIHPHNDVHAQXMO-UHFFFAOYSA-N 285.351 1.664 0 50 CDAA CNC(=O)C[C@@H]1CCN(C(=O)c2c(C)cccc2OC)C1 1506400504 NLFWSPHSQOFUPA-LBPRGKRZSA-N 290.363 1.602 0 50 CDAA Cc1ccc(NS(C)(=O)=O)cc1-c1cnn(C)c1 904741866 MFDUHWSQWZTWQT-UHFFFAOYSA-N 265.338 1.767 0 50 CDAA CNC(=O)c1cccnc1N(C)Cc1ncccc1C 1529167428 JDGQPJJGPXLWMN-UHFFFAOYSA-N 270.336 1.781 0 50 CDAA CC(C)OC(=O)N1CCC(NC(=O)N(C)C2CC2)CC1 114967945 WTVWYWTXRCIXEW-UHFFFAOYSA-N 283.372 1.800 0 50 CDAA Cn1cc([C@H]2CSCCN2C[C@@H](O)C(F)(F)F)cn1 230248562 IQVVCTKBSXQSGJ-NXEZZACHSA-N 295.330 1.433 0 50 CDAA Cc1ncc(CN(CCO)C(=O)Cc2cccs2)[nH]1 1704313580 QWGSLMRGSQVIJD-UHFFFAOYSA-N 279.365 1.343 0 50 CDAA CN(CC(=O)O)C(=O)[C@@H]1SCCc2ccccc21 237150637 HBMDZYKFLCXSRC-GFCCVEGCSA-N 265.334 1.560 0 50 CDAA CN1CCC[C@@H](Sc2nc3cncnc3[nH]2)C1=O 547821540 VBTYNFKMDURQCF-MRVPVSSYSA-N 263.326 1.066 0 50 CDAA CCC[C@]1(C(=O)O)CCN(Cc2cccnc2C)C[C@@H]1O 1704314491 SOWPINSAXRGJAI-HOCLYGCPSA-N 292.379 1.828 0 50 CDAA Cc1n[nH]cc1Cn1ccc2oc(=O)cc(C)c2c1=O 1547205764 DZNQCBAKQHVLIK-UHFFFAOYSA-N 271.276 1.343 0 50 CDAA COc1cc(CN(CCO)Cc2cncn2C)ccc1F 1704326313 UPXFMMSIXDEQBY-UHFFFAOYSA-N 293.342 1.562 0 50 CDAA O=C(Cc1cscn1)N1CCO[C@@H](COCC2CC2)C1 1615558368 VEMBIVZYIADWFD-CYBMUJFWSA-N 296.392 1.340 0 50 CDAA CC(C)CCC1CCN(C(=O)C[C@H](O)CN(C)C)CC1 1615586867 QKADLYXFCTXVGO-HNNXBMFYSA-N 284.444 1.974 0 50 CDAA CC(=O)NC(C)(C)c1noc(CCc2cccc(O)c2)n1 1615613069 FCRVITZAPBDEJB-UHFFFAOYSA-N 289.335 1.932 0 50 CDAA C[C@@]1(c2ccncc2)Nc2ccccc2-c2nnnn21 1615055019 GCWAYTVBZRLPOO-CQSZACIVSA-N 264.292 1.882 0 50 CDAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ncccc2O)C1 249951988 IUXUSSDJEBKQQU-NWDGAFQWSA-N 275.352 1.344 0 50 CDAA Nc1nccc(C2CCN(CC[C@H]3COCCO3)CC2)n1 1775981540 LVRBONOHINXYGQ-ZDUSSCGKSA-N 292.383 1.044 0 50 CDAA Cc1cc(C)n(CCN(C)C(=O)c2nsnc2C)n1 1775984361 QJHAKCHWOZRWCN-UHFFFAOYSA-N 279.369 1.432 0 50 CDAA Cc1nc(C)c(-c2nnc3n2CCSCC3)o1 1775984081 YSFZFSWZRHLUJY-UHFFFAOYSA-N 250.327 1.839 0 50 CDAA CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)cc1 13122429 CFHIXJGXYPIYRW-LLVKDONJSA-N 285.307 1.363 0 50 CDAA Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)O)CC3=O)c2c1 13944182 JNXUSNBLYPRWCT-GFCCVEGCSA-N 286.331 1.952 0 50 CDAA CCOC(=O)c1cnc(N2CCC(C)CC2)[nH]c1=O 14162963 TVAHFEYZNAQPCO-UHFFFAOYSA-N 265.313 1.183 0 50 CDAA Cc1ccc(C[C@H]2C(=O)N(CC(=O)O)C(=O)[C@@H]2C)cc1 18154226 HDUBPAHYXQMZBB-ZYHUDNBSSA-N 275.304 1.243 0 50 CDAA CN1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1 19590019 LZOGQKAWICAXSB-UHFFFAOYSA-N 281.787 1.916 0 50 CDAA O=C1CC2(CCN(Cc3ccoc3)CC2)OCCN1 1857687079 KEALBUZPQYREAK-UHFFFAOYSA-N 264.325 1.151 0 50 CDAA Cc1ncccc1C(=O)N[C@@H]1CCCOC12CCNCC2 1857692081 NMLWWKBQYLPNFY-CQSZACIVSA-N 289.379 1.421 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)[C@H]1CCn2nccc2C1 1857725433 WVHGRMWBFDZMAW-LBPRGKRZSA-N 288.351 1.709 0 50 CDAA COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccccc1 318318 KKKWVCLVKMYSIM-LBPRGKRZSA-N 285.365 1.553 0 50 CDAA CC(C)(C)OC(=O)N1C2(CCCC2)COS1(=O)=O 606302310 CFRQOGVGOBYOJM-UHFFFAOYSA-N 277.342 1.811 0 50 CDAA O=C(NC[C@@H]1CCCO1)NC[C@@H]1Cc2ccccc2CO1 624339347 OPPLPDCEMXFIBL-GJZGRUSLSA-N 290.363 1.606 0 50 CDAA FC(F)(F)c1cn2c(n1)CC[C@@H](CN[C@@H]1CCOC1)C2 328629899 ISWDLTVUVAMRBM-VHSXEESVSA-N 289.301 1.843 0 50 CDAA CN1C(=O)N[C@@H]2CN(CCc3ccc(F)c(F)c3)CC[C@@H]21 336587284 QLPHGWSAULCYGP-KGLIPLIRSA-N 295.333 1.605 0 50 CDAA CCOc1ncccc1CNC(=O)c1cncc(F)c1 345286081 VOVNYNHCYWDXHF-UHFFFAOYSA-N 275.283 1.944 0 50 CDAA CC(=O)Nc1cccc(N2C[C@@H](C(=O)O)CC2=O)c1 19483361 OVXNWCDBBHPXID-VIFPVBQESA-N 262.265 1.083 0 50 CDAA in-vitro COC(=O)C1CCN(c2cc(N3CCCC3)ncn2)CC1 253433604 ZIEGLFKRUBKRRZ-UHFFFAOYSA-N 290.367 1.466 0 50 CDAA Brc1cccc(OCCN2CCNCC2)c1 20267772 FBZVPBWIPKFXRJ-UHFFFAOYSA-N 285.185 1.733 0 50 CDAA in-vitro C[C@@](O)(C(=O)NCc1nc2ccc(F)cc2[nH]1)C1CCC1 362863922 BOTBNGSBQPVIAL-HNNXBMFYSA-N 291.326 1.869 0 50 CDAA CN(C)c1ccc(C(=O)N2CC[C@@H](c3nccn3C)C2)cn1 371041995 HSNJGNNBCOIZLF-CYBMUJFWSA-N 299.378 1.511 0 50 CDAA Cc1nc(C(C)(C)NC(=O)c2ccc(C(=O)O)cc2)no1 262335505 VXZIWJDJWHZAOJ-UHFFFAOYSA-N 289.291 1.741 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(Cl)cc1)C2 1704312724 XOLASIIQUQOAFV-FZMZJTMJSA-N 294.782 1.743 0 50 CDAA CN(C)[C@H](CNC(=O)NC1CSC1)c1ccco1 1210846945 YDFLVVJYZZXNJN-SNVBAGLBSA-N 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CDAA Cc1ccc2nc(C(=O)NCCc3cc[nH]n3)c(F)n2c1 426707490 UUDJZSSVWKAPFT-UHFFFAOYSA-N 287.298 1.477 0 50 CDAA Cc1c[nH]ccc1=NCCN=c1cc([C@@H]2CCOC2)nc[nH]1 426712555 BVCAFQWVNMYQLF-CYBMUJFWSA-N 299.378 1.052 0 50 CDAA CSC[C@H](NC(=O)CN1CCCCCCC1)C(=O)O 426726771 LXEAHCBDDBTALB-NSHDSACASA-N 288.413 1.185 0 50 CDAA Cc1nc([C@@H](c2cccc(F)c2)N(C)C)n(CCO)n1 96132498 MAUMVUHNETXOFM-CYBMUJFWSA-N 278.331 1.369 0 50 CDAA CCn1ccnc1CN1CCC[C@H](N(C)C)CC1 97743656 XLOFURRFVXYWOS-ZDUSSCGKSA-N 250.390 1.819 0 50 CDAA COc1cc(C)cc(-c2cnn(CCO)c2)c1OC 96131250 DVJGRQAAWNDGTL-UHFFFAOYSA-N 262.309 1.868 0 50 CDAA CCC[C@H]1CN(C(=O)Cc2cccc(OC)c2)C[C@@H]1N 92066333 ZFMNLVJBBVSPGZ-ZFWWWQNUSA-N 276.380 1.824 0 50 CDAA COc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)c(C)c1C 97076610 ALZNIOIICVJUDR-GJZGRUSLSA-N 278.396 1.419 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC(=O)N(C)CC2(C)COC2)n1 426530903 QKJMETHLHDPNDF-GFCCVEGCSA-N 294.399 1.566 0 50 CDAA Cc1nc(C)c(C)c(N2C[C@@H]3CCC[C@H](C2)C(=O)N3)n1 91505882 XQBCUMPSMWJMNP-OLZOCXBDSA-N 274.368 1.507 0 50 CDAA C[C@H](c1cccnc1)N(C)Cc1cnn(CCC(=O)O)c1 97570834 MTWSVBSLRHALDP-GFCCVEGCSA-N 288.351 1.946 0 50 CDAA Cc1cc(C)n(C[C@H](C)n2cc(-c3cncnc3)nn2)n1 95377814 GXUSDUWEJMVREA-LBPRGKRZSA-N 283.339 1.810 0 50 CDAA CN(Cc1ccc(-c2nnn[nH]2)cc1)Cc1cnccn1 95188822 GTZYOKZQLYRAEN-UHFFFAOYSA-N 281.323 1.289 0 50 CDAA C[C@H]1CCCN(C(=O)CCCc2ccccn2)[C@@H]1CN 237687122 GSKOXHWETWBSQI-DZGCQCFKSA-N 275.396 1.990 0 50 CDAA CCc1cccc(NC(=O)CN2CCn3nc(C)nc3C2)c1 267023292 CBTZIRKCOAJOND-UHFFFAOYSA-N 299.378 1.603 0 50 CDAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)cc1 245226861 PGTZBVJFJKAZSJ-UMPJEAMMSA-N 297.310 1.722 0 50 CDAA O=C(C[C@@H]1CCCO1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 245312389 IXRZZWNCVDJBGC-YHUYYLMFSA-N 292.423 1.888 0 50 CDAA O=C(c1cnn2cccnc12)N1CC[C@@H](O)CC12CCC2 622114061 IZYXJJMCQSIAGO-LLVKDONJSA-N 286.335 1.249 0 50 CDAA COc1ccccc1[C@H](CN)N1CC[C@@H](C(=O)O)C1 242463815 DMSZWLDMGGTLDP-PWSUYJOCSA-N 264.325 1.102 0 50 CDAA Cc1cc(NC(=O)[C@H](C)N(C)Cc2cccnc2)no1 183595250 XQYDKGYKNWEPHN-NSHDSACASA-N 274.324 1.837 0 50 CDAA Cc1ccc(S(=O)(=O)N2[C@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 251255825 DFOHGWYKVLANSY-GVXVVHGQSA-N 293.344 1.397 0 50 CDAA C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n1[C@H]5[C@H]42 253589958 AOQAVNNTXFWYRQ-WWBZANSWSA-N 293.326 1.038 0 50 CDAA COc1ccnc(NCC2(Cn3cccn3)CC2)n1 534653820 NKDHZKPHFCCTJG-UHFFFAOYSA-N 259.313 1.574 0 50 CDAA CNC(=O)c1cccc(CNC(=O)C[C@@H]2CCOC2)c1 351667821 MEHCXWNAZXUVDR-LBPRGKRZSA-N 276.336 1.089 0 50 CDAA Cc1ccc(CS(=O)(=O)N(C)C[C@H]2CCN(C)C2)cc1 288180708 ARYDTZFPLXQHLQ-HNNXBMFYSA-N 296.436 1.708 0 50 CDAA CC(=O)NCCC(=O)NCc1nc2cc(C)ccc2[nH]1 299785217 JVPCQSATWJHIIF-UHFFFAOYSA-N 274.324 1.014 0 50 CDAA Cn1cnc(C(=O)NCCCn2cc(Cl)cn2)c1 299777034 NHMCZWPVWUOBNZ-UHFFFAOYSA-N 267.720 1.090 0 50 CDAA O=C(NCc1cc2ccccc2s1)[C@H]1COCCO1 299264828 HSJAWDKPJZPMTN-GFCCVEGCSA-N 277.345 1.933 0 50 CDAA Cc1nccn1CCN(C)CCN1C[C@H]2CC[C@@H]1C2 299782238 XKFZUCOCUZQMAJ-LSDHHAIUSA-N 262.401 1.608 0 50 CDAA O=C(O)[C@H]1CCCN1C(=S)Nc1cccnc1 575415320 WDIJWXTYNMSAKY-SECBINFHSA-N 251.311 1.327 0 50 CDAA CCC(=O)N1CCC(C(=O)N2CCCC[C@@H]2CO)CC1 828710799 GICIXGSTYSANCF-CYBMUJFWSA-N 282.384 1.008 0 50 CDAA COCC[C@@H]1CN(C(=O)c2cccc3ccnn23)CCO1 584895105 XFHFBOMDWGYLSA-CYBMUJFWSA-N 289.335 1.212 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCC2(CO)CCC2)n1 670456664 FEHZVUTYOILMNE-GFCCVEGCSA-N 251.374 1.641 0 50 CDAA COc1c[nH]c(CN(C)Cc2cnn(C(C)C)c2)cc1=O 670440166 VHJXPLNKQFXDCF-UHFFFAOYSA-N 290.367 1.793 0 50 CDAA CON(C)CCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 863947395 FHGFPBWXISBSIL-AVGNSLFASA-N 254.374 1.812 0 50 CDAA Cn1cccc1C(=O)N1CC(Oc2nccs2)C1 863947880 MLLRADRKMDFBIE-UHFFFAOYSA-N 263.322 1.385 0 50 CDAA C[C@H](NCc1ccncc1O[C@H]1CCNC1)c1cn[nH]c1 952886182 IRLTZROBFVVXBC-FZMZJTMJSA-N 287.367 1.396 0 50 CDAA CC(=O)N[C@H](C(=O)O)c1ccc(OCC(F)F)cc1 1875286078 FGOUDOQNZDHDEI-NSHDSACASA-N 273.235 1.592 0 50 CDAA O=C(CO[C@H]1CCOC1)Nc1cn(-c2ccccc2)nn1 1875277022 XENYZXPQIICYMD-LBPRGKRZSA-N 288.307 1.011 0 50 CDAA CC1(C)NC(=O)O[C@@]12CCN(C(=O)NCC1CC1)C2 1875298021 LZWLXSSEARYMGE-CYBMUJFWSA-N 267.329 1.069 0 50 CDAA CN(C)CCN(C)C[C@H]1CC[C@@H](Cc2nccs2)O1 952854443 PTTYQLGAIGBKPN-QWHCGFSZSA-N 283.441 1.727 0 50 CDAA CN(C)CC1(O)CCN(C(=O)Nc2ccccn2)CC1 1875369049 ODPYMHNMJNFMHK-UHFFFAOYSA-N 278.356 1.002 0 50 CDAA O=C1CCCN1Cc1noc(-c2cccc3nc(O)[nH]c23)n1 1875323808 AIODLHJVRKVSGL-UHFFFAOYSA-N 299.290 1.441 0 50 CDAA CCc1nc(NC(=O)c2cncc(C(=O)OC)c2C)n[nH]1 1875324466 ZXHOUXWXYHTBBT-UHFFFAOYSA-N 289.295 1.109 0 50 CDAA Cc1ccc(N2CC[C@@H](CN(C)C(=O)c3ccc[nH]3)C2)nn1 1875302705 CXJPFYXRJPNYRT-ZDUSSCGKSA-N 299.378 1.712 0 50 CDAA N=c1nc2[nH]c(SC[C@@H]3[C@H]4CCC[C@H]43)nc2c(N)[nH]1 1875331743 AVFVWJUFWAHGDQ-ZMONIFLSSA-N 276.369 1.486 0 50 CDAA Cc1ccccc1OC[C@@H](O)C(=O)N(C)Cc1ccoc1 952973900 VKQLHQQDNXGYDE-CQSZACIVSA-N 289.331 1.986 0 50 CDAA O=C(CCc1cn[nH]c1)NCc1nc(O)c2ccccc2n1 952868633 BUQNKGBVHXYUPQ-UHFFFAOYSA-N 297.318 1.308 0 50 CDAA c1nnn2c1CO[C@H]1CCN(C3CCCCC3)C[C@H]12 1076000903 IYBQBIJUVJFMIL-KGLIPLIRSA-N 262.357 1.756 0 50 CDAA Cc1ncc(C(=O)N2CC[C@H](Cc3nccs3)C2)n1C 890206799 SOXUAMFEKPQHHU-LLVKDONJSA-N 290.392 1.890 0 50 CDAA C[C@]1(CN2CC[C@H](C(N)=O)C2)C[C@@H]1c1ccccc1 1308655205 CRZGYVHUPSMUJK-SQWLQELKSA-N 258.365 1.987 0 50 CDAA CN(C[C@@H]1CC=CCC1)C(=O)c1cc(C(=O)O)n[nH]1 1593726561 LICOXAQRBUMKFM-SECBINFHSA-N 263.297 1.536 0 50 CDAA Cc1cnc(CCNC(=O)[C@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)c(C)c1 1775961038 PLMYNUNFKSFRPH-BARDWOONSA-N 287.407 1.731 0 50 CDAA C[C@H]1CC[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)C1 408201106 GRERVNVQNZOSQF-UWVGGRQHSA-N 259.371 1.116 0 50 CDAA Cc1noc(C)c1C[C@H](C)NC(=O)N=c1nc[nH]s1 408518871 GTOUVDOOHFCHAV-LURJTMIESA-N 281.341 1.318 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2C[C@@H]2CO)cc1 170088801 LFPQZOQUQBTAKR-MFKMUULPSA-N 283.393 1.643 0 50 CDAA CCOc1cncc(N(C)C[C@@H]2C[C@H](OC)CN2C)n1 583617529 LNZCAJKPJFHMHG-RYUDHWBXSA-N 280.372 1.031 0 50 CDAA O=C1CC[C@](C(=O)NCc2ccc[nH]2)(c2ccccc2)CN1 584122155 JIVAFZLJPPPSLD-QGZVFWFLSA-N 297.358 1.479 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NCCNC(N)=O)CC(C)(C)C1 584908477 PODGGHGLEYOBGG-NXEZZACHSA-N 255.362 1.233 0 50 CDAA CC(C)(F)CNS(=O)(=O)c1cccc(CC(=O)O)c1 634653731 HJHHGUSZBVIULJ-UHFFFAOYSA-N 289.328 1.340 0 50 CDAA O=C(c1cnn2c1OCCC2)N1CCC2(CCOCC2)C1 551275043 MCXIFGNUWKKJLG-UHFFFAOYSA-N 291.351 1.308 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)Nc1cnc(N(C)C)nc1 189717015 SVTAOUDMHFIXCI-KOLCDFICSA-N 264.329 1.296 0 50 CDAA COc1cc(OC)cc([C@@H]2CCN(C(=O)C(C)(C)O)C2)c1 191839366 ZQIZYASUBBWPDX-LLVKDONJSA-N 293.363 1.791 0 50 CDAA CC[C@@]1(CO)CCCN(C(=O)Nc2cnns2)C1 192339542 NISPUWCRALIZLX-LLVKDONJSA-N 270.358 1.555 0 50 CDAA CCNC(=O)C1CN(c2ncnc3c(C)csc23)C1 192649423 GCUYKYOYJIVGSD-UHFFFAOYSA-N 276.365 1.572 0 50 CDAA CCC[C@H](C)c1cc(=NC(=O)[C@@H](C)C(=O)O)[nH][nH]1 574572504 XUCGQNYRESTRDQ-JGVFFNPUSA-N 253.302 1.394 0 50 CDAA Cc1cc(C(=O)O)nc(N[C@H](C)c2nncn2C(C)C)n1 1506418782 JBSYHURRPBWOAE-SECBINFHSA-N 290.327 1.829 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCCCN2CCOCC2)n1 1506424709 LCUBIYCOMWNJGR-CQSZACIVSA-N 280.416 1.200 0 50 CDAA COCCOCC(=O)N(Cc1c(C)nn(C)c1C)C1CC1 1505633442 KBIJAGGRSMVUFX-UHFFFAOYSA-N 295.383 1.191 0 50 CDAA CC[C@@]12COC(=O)N1CCN(Cc1cccc(C)n1)C2 1857670589 ABDJFQCNQMHBKS-OAHLLOKOSA-N 275.352 1.807 0 50 CDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)[C@H](C)C(=O)N(C)C)[C@H]1C 408451798 MQWCCZLZFIFTRP-NOOOWODRSA-N 290.429 1.159 0 50 CDAA CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C 4899867 OXHIVNUWGSCHBD-ZJUUUORDSA-N 287.356 1.698 0 50 CDAA in-vitro Cc1ncc(Cl)c(NCCCN2CCOCC2)n1 1704308336 HYVIQNIZBVFYMV-UHFFFAOYSA-N 270.764 1.573 0 50 CDAA COc1ccc(N2Cc3nn(C(C)C)c(=O)n3C2=O)cc1 1547201146 MGNNPDSPTPOXNU-UHFFFAOYSA-N 288.307 1.623 0 50 CDAA O=C(O)[C@H]1CCN(c2ncccc2C(=O)N2CCCC2)C1 1704307034 QZFFDVDNPVESML-NSHDSACASA-N 289.335 1.229 0 50 CDAA CCc1cnc(O)c(C(=O)NC2CCC3(CC2)C[C@@H]3N)c1 1615545803 JEYURKILEGFLHY-ULKWEWGCSA-N 289.379 1.739 0 50 CDAA O=C(CN1C[C@H]2C[C@@H](O)[C@H]2C1)NC1CCCCCCC1 1772712596 UJMXPDOYYDSNDX-VHDGCEQUSA-N 280.412 1.528 0 50 CDAA O=C(O)C1=C[C@H](c2ccc(Cl)cc2)n2ncnc2N1 11729651 AEPBKVYSXOTJJL-SNVBAGLBSA-N 276.683 1.915 0 50 CDAA Oc1ncc(Br)nc1Br 12356990 NHVGHXUOFWEOSN-UHFFFAOYSA-N 253.881 1.707 0 50 CDAA O=C(NCCN1CCc2ccccc2C1)c1ccc(=O)oc1 19222506 BQRWGBDXDXFIJN-UHFFFAOYSA-N 298.342 1.428 0 50 CDAA O[C@@H](COc1cccc2ccccc12)CN1CCNCC1 19229530 PODKTVHURWLQLF-OAHLLOKOSA-N 286.375 1.485 0 50 CDAA COC(=O)/C=C(\C)[Sn](C)(C)C 169832359 WQEFAJFPQHQJGX-UHFFFAOYSA-N 262.925 1.983 0 50 CDAA C[C@@H]1CN2C[C@@H](NC(=O)c3cc(F)ccc3F)C[C@H]2CO1 1857715382 OZEULTGQGBFKJW-USWWRNFRSA-N 296.317 1.556 0 50 CDAA COc1cccc(CCCN2C(=O)C[C@H]3NCC[C@H]32)c1 1857694541 RBVAYURVNFAYMJ-HUUCEWRRSA-N 274.364 1.591 0 50 CDAA Cc1cc(N2CCN3[C@@H](C4CC4)COC[C@H]3C2)ccn1 1875243590 NWPYZQZGIDXVIN-HZPDHXFCSA-N 273.380 1.689 0 50 CDAA CN1CCc2cc(-c3cnn(-c4nc[nH]n4)c3)cnc21 1875248304 JKSBTGZCBKTQJS-UHFFFAOYSA-N 267.296 1.045 0 50 CDAA Cc1cc(C(=O)N2CCC(C3CCNCC3)CC2)no1 1857737278 FMUAHWWHQBWGDH-UHFFFAOYSA-N 277.368 1.835 0 50 CDAA Nc1ccc2c(c1)OCCOCCOCCOCCO2 3877686 CQNGAZMLFIMLQN-UHFFFAOYSA-N 283.324 1.090 0 50 CDAA in-vitro CCn1nccc1CN[C@H]1CCO[C@@H]1c1cnn(C)c1C 328623113 IWJNZNSMPBRUPN-LSDHHAIUSA-N 289.383 1.565 0 50 CDAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1nc2ccccc2[nH]1 252505759 MSELMHDMHRBWGY-KZWBYHQPSA-N 285.347 1.700 0 50 CDAA CCN1CC[C@@H](CNC(=O)Nc2cccc(C)n2)C1 360894710 DHIODEJEOSDAPH-LBPRGKRZSA-N 262.357 1.853 0 50 CDAA O=C(c1ncncc1Cl)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1 366826831 AXILJRGELBASOB-ISVAXAHUSA-N 295.726 1.457 0 50 CDAA CCn1ncnc1CN1CCOC[C@H]1c1c(C)n[nH]c1C 373279462 SULXGJDSWRFGDK-LBPRGKRZSA-N 290.371 1.211 0 50 CDAA Nc1ccc(CN(Cc2ccccc2)[C@@H]2CCCNC2)nn1 904299292 AKVKVFKJMBMENZ-MRXNPFEDSA-N 297.406 1.813 0 50 CDAA Cc1ccc(OCCN2CC[C@H](C(=O)O)[C@H](O)C2)c(C)c1 1704298631 JYBOQJSQFIOLGM-UONOGXRCSA-N 293.363 1.450 0 50 CDAA CCOC(=O)c1nnn(Cc2cc(C)on2)c1C 231832851 RTQMESRPOTZORJ-UHFFFAOYSA-N 250.258 1.108 0 50 CDAA CO[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccccc1 268914628 PCQOATGDUCNDMU-GRYCIOLGSA-N 263.293 1.211 0 50 CDAA CC1(CO)CCN(c2ccc(S(C)(=O)=O)cc2)CC1 273918778 ZCCYLYMICGJHSF-UHFFFAOYSA-N 283.393 1.689 0 50 CDAA O=C(NCc1ccccc1Cl)[C@H]1C[C@H](F)CN1 188195311 PHXFLSFTGFKNRK-GXSJLCMTSA-N 256.708 1.656 0 50 CDAA C[C@@]1(C(F)F)CN(CC(=O)Nc2nccs2)CCO1 662369532 BNDSRMSJGCGRKD-NSHDSACASA-N 291.323 1.438 0 50 CDAA COCC1(C(=O)N2C[C@@H]3CCC[C@]3(N)C2)CCC1 621683184 REJKNCJXEUCNPH-FZMZJTMJSA-N 252.358 1.143 0 50 CDAA CCCN(C(=O)c1cn2c(n1)CCCC2)[C@H]1CCNC1 422806544 NOFDJHRHICAILB-LBPRGKRZSA-N 276.384 1.434 0 50 CDAA COc1ccc(CNCC2(OC)CCOCC2)cn1 331188487 OJCGXEVZGQKMAX-UHFFFAOYSA-N 266.341 1.375 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccoc1 864144706 DDYOFCUWIUXNSI-LLVKDONJSA-N 267.281 1.137 0 50 CDAA O=C1C[C@H](N2CCCC2)C(=O)N1c1ccc(F)cc1 63577 CSTKRWKREXPADH-LBPRGKRZSA-N 262.284 1.553 0 50 CDAA CN1C[C@@H](Nc2cncc(-n3cncn3)n2)CC12CCC2 2325780621 BKUCQUAQCIQNKO-NSHDSACASA-N 285.355 1.096 0 50 CDAA C[C@@H](C[C@H](O)c1ccco1)NC(=O)[C@H]1C[C@@](F)(CO)C1 2325805508 NTFKPNSETQCITP-RMIALFOJSA-N 285.315 1.318 0 50 CDAA C=CC(=O)N1CCC(c2ncc(C(=O)OCC)cn2)CC1 2325900272 RWNQVPBTHMPHBL-UHFFFAOYSA-N 289.335 1.545 0 50 CDAA COC(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC 139948 SIACYYUWRAZSCX-UHFFFAOYSA-N 299.279 1.677 0 50 CDAA biogenic,in-vitro Cc1ccccc1C(=O)NC(=S)NC[C@@H]1CCCO1 301792 VFXPRXXTTBPVIT-NSHDSACASA-N 278.377 1.778 0 50 CDAA CCC1=NN(C(=O)c2cccnc2)[C@](O)(C(F)(F)F)C1 313457 JDEPCGBGWGSUAO-LLVKDONJSA-N 287.241 1.944 0 50 CDAA C[C@H]1CN(C(=O)C(Cl)(Cl)Cl)C[C@H](C)O1 457146 WZNTZUNQQHXZTK-WDSKDSINSA-N 260.548 1.992 0 50 CDAA CN(c1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O 800437 XMAFRTIUOVKACG-UHFFFAOYSA-N 282.365 1.318 0 50 CDAA Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCCO)c1C 1890052 NXTZXOVTWZTXIY-UHFFFAOYSA-N 285.409 1.872 0 50 CDAA CCCC[C@@H](CC)CNC(=O)C(=O)NCCOC 2297823 AKCHMHDSQFTECT-LLVKDONJSA-N 258.362 1.082 0 50 CDAA Cc1c(C(=O)N(C)C)sc(N)c1C(=O)OC(C)C 2576733 AONKVJZXJUFEIJ-UHFFFAOYSA-N 270.354 1.906 0 50 CDAA CCOCCCNC(=O)C(=O)Nc1ccc(F)cc1 2858446 RVFYJILYJUCVAG-UHFFFAOYSA-N 268.288 1.307 0 50 CDAA CC[C@@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 3315028 GCUXGEQZSGISLP-SNVBAGLBSA-N 284.381 1.611 0 50 CDAA COc1ccccc1Oc1ncccc1CNC(=O)CO 67948069 ZPCRLANQKFUQJB-UHFFFAOYSA-N 288.303 1.491 0 50 CDAA CC(C)(C)OC(=O)N1CCC([C@@H]2NC(=O)CC[C@H]2N)CC1 225404237 AADBRYTVUFZUSW-YPMHNXCESA-N 297.399 1.239 0 50 CDAA Cc1nn(C(C)C)c(C)c1CN1CCN(C)[C@H](CCO)C1 22853369 XVDZAAABUNDARZ-OAHLLOKOSA-N 294.443 1.579 0 50 CDAA O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)[C@H]3OC[C@@H](O3)[C@H]12 113669534 PQKCJNCEYJTPAS-QEGBUVANSA-N 278.691 1.709 0 50 CDAA CCCc1cnc(C)nc1N1CCC2(CC1)CNC(=O)O2 65488797 IWDIIYLOKBQILN-UHFFFAOYSA-N 290.367 1.816 0 50 CDAA O=C([C@@H]1CCOC1)N1CCCN(c2ccccc2)CC1 20820547 CUMUENVJAKGRED-CQSZACIVSA-N 274.364 1.762 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCn1cccn1 250172337 MHEHEZNODZZTBZ-XQQFMLRXSA-N 263.341 1.601 0 50 CDAA COC1([C@@H](C)NC(=O)[C@@H](C)CSC)CCOCC1 421754535 DPCZJCOQUZSWGO-WDEREUQCSA-N 275.414 1.686 0 50 CDAA OCC[C@H]1CN(Cc2ccccn2)CCN1C1CCCC1 20537451 MFVBAWRAVLFEAD-KRWDZBQOSA-N 289.423 1.893 0 50 CDAA CCOC(=O)C1=C(O)C(=O)N(C)[C@H]1c1ccc(F)cc1 22185126 VJHXSIGYRDTPMK-NSHDSACASA-N 279.267 1.714 0 50 CDAA CC(C)[C@@](C)(O)C(=O)Nc1cnn(Cc2ccncc2)c1 353110829 WOIHFGAZCYAMKZ-OAHLLOKOSA-N 288.351 1.672 0 50 CDAA COc1ncnc(N(C)C)c1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 150702021 FAMGPSTXNQQIBM-DCAQKATOSA-N 288.351 1.702 0 50 CDAA CC1(C(=O)NCc2ccnc(-n3ccnc3)c2)CC1 150890781 XFMJRUWFOOHCFJ-UHFFFAOYSA-N 256.309 1.684 0 50 CDAA C[C@H](O)CN1CCN(CCO[C@@H]2CCCC[C@H]2C)C[C@@H]1C 252474545 HJKMFYUHPTUJKZ-LTIDMASMSA-N 298.471 1.969 0 50 CDAA O=C(O)CNc1ccccc1C(=O)NCc1ccccn1 65421209 ROIKJUOASONAJC-UHFFFAOYSA-N 285.303 1.508 0 50 CDAA O=C1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)CN1 63882838 PQRNAGMXZUECHT-UHFFFAOYSA-N 262.353 1.509 0 50 CDAA COCCN(Cc1ccncc1)C(=O)C[C@@H]1CCNC1 215767817 AQYBUZHGYSMZTA-AWEZNQCLSA-N 277.368 1.056 0 50 CDAA Cc1ncc(C(=O)N(C)C[C@H]2CCc3nccn3C2)c(C)n1 328630067 PMAYBKHIVWGPOG-CYBMUJFWSA-N 299.378 1.625 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1n[nH]c2c1CCC2 328644862 ZMARWXUROSAJRY-NSHDSACASA-N 299.378 1.430 0 50 CDAA CN(Cc1ccccn1)c1nccc(=N[C@@H]2CCCOC2)[nH]1 328651822 WBCUQHQOPSXKIO-CQSZACIVSA-N 299.378 1.521 0 50 CDAA CCN1CCC[C@H](Cn2cnc3ccncc3c2=O)C1 32573443 QPEDLPIPHBWWRE-LBPRGKRZSA-N 272.352 1.523 0 50 CDAA CCCc1cnc(C)nc1N1CCOC[C@@H](CO)C1 77489372 ZRJWLCNMXFJSFN-GFCCVEGCSA-N 265.357 1.183 0 50 CDAA C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@H](C(C)(C)C)C2=O)C1 253426143 PHVOYGCHBWZVKU-PWSUYJOCSA-N 295.383 1.211 0 50 CDAA COc1ccc([C@@H](CN(C)C)NCc2cnnn2C)cc1 253416419 APVWDOHFFPDSSY-OAHLLOKOSA-N 289.383 1.216 0 50 CDAA O=C(C[C@@H]1C(=O)Nc2ccccc21)OCCc1cnccn1 172668542 GHILAXRXVXOTGY-ZDUSSCGKSA-N 297.314 1.688 0 50 CDAA Cc1ccc2cccc(OCCNC(=O)c3cn[nH]n3)c2n1 72140290 ORVJGXCNJGAIOB-UHFFFAOYSA-N 297.318 1.470 0 50 CDAA O=C(c1cnns1)N1CCC(Oc2cnccn2)CC1 330844844 ZJTMBVJEGXVJLU-UHFFFAOYSA-N 291.336 1.012 0 50 CDAA CC(C)N1C[C@H](C(=O)NCC2=CCCCC2)CC1=O 77303880 QBMGGEDWVIUFTO-CYBMUJFWSA-N 264.369 1.860 0 50 CDAA COc1cccc([C@H](C)C(=O)N2CCC[C@@H]2C(=O)O)c1 155808444 NPOQVARSPVUANH-GXFFZTMASA-N 277.320 1.874 0 50 CDAA O=C(N[C@@H](CO)CC1CCCC1)[C@H]1CCCN1C1CC1 332743101 ZFZPIPJGUAIODU-UKRRQHHQSA-N 280.412 1.671 0 50 CDAA CCNC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 337465417 OIKZNGSZWJYYJX-SECBINFHSA-N 285.369 1.056 0 50 CDAA c1c(CN2CCOC3(CCCC3)C2)nn2c1CNCCC2 72143209 CFGQMPVABCRQRS-UHFFFAOYSA-N 290.411 1.521 0 50 CDAA CN(CCCc1cnn(C)c1)C(=O)[C@H](N)c1ccccc1 71775959 VTGGCTBEIKLEMY-OAHLLOKOSA-N 286.379 1.511 0 50 CDAA COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nnc(C)o1 241942328 ULPDWZIDVAHZNK-NHCYSSNCSA-N 265.313 1.152 0 50 CDAA Cc1ccc(-n2ccc3c(nnc4ncnn43)c2=O)c(C)c1 71754871 RQOQXDWGFZPAID-UHFFFAOYSA-N 292.302 1.440 0 50 CDAA C[C@H]1CCCN(Cc2nnnn2C(C)(C)C)[C@H]1CCO 521398724 CKYVFWBXAWIZNC-RYUDHWBXSA-N 281.404 1.411 0 50 CDAA C[C@H](Cc1cccnc1)NC(=O)c1cc(CO)ccn1 217211358 AQXSIOYMSQIQPJ-LLVKDONJSA-N 271.320 1.330 0 50 CDAA O=C(NCCc1noc([C@H]2CCCO2)n1)c1ccoc1 215689017 WSBMRONPWARPJO-SNVBAGLBSA-N 277.280 1.487 0 50 CDAA Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H](C)CC(=O)N1)C2 334252190 BOEMHQJRTXKUAZ-FZMZJTMJSA-N 272.348 1.752 0 50 CDAA COC(=O)c1ccc(N(C=O)CC(C)=O)c(F)c1 214475062 OTDUKDLBTSWBOV-UHFFFAOYSA-N 253.229 1.164 0 50 CDAA COCc1noc(CN2CC[C@]3(CCCOC3)C2)n1 375291017 DWKAFGCQWVWESO-CYBMUJFWSA-N 267.329 1.219 0 50 CDAA Cc1ccc(N2CCC[C@@H](N(C)c3nnc(C)o3)C2)nn1 376170643 GKJAMILUPARJDM-GFCCVEGCSA-N 288.355 1.582 0 50 CDAA Cc1c[nH]nc1CNC[C@@H]1C[C@H](F)CN1c1cccnn1 377764153 XFFCGJCUGAKQNS-RYUDHWBXSA-N 290.346 1.215 0 50 CDAA Cn1cccc1S(=O)(=O)N1CCC[C@@]2(CCOC2)C1 334906797 MFBKMZCAKVKHRU-CYBMUJFWSA-N 284.381 1.216 0 50 CDAA CCN1CC2(CCN(c3cnccn3)CC2)CC1=O 77320735 LXZKJLJYPPESNC-UHFFFAOYSA-N 260.341 1.315 0 50 CDAA CNC(=O)CN(C)Cc1c(C)cc(OC)c(C)c1C 215464960 RXEMJBPQTZPMDJ-UHFFFAOYSA-N 264.369 1.798 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccoc2Cl)C1 284887108 RLFDIWDQCYHFID-JGVFFNPUSA-N 259.689 1.155 0 50 CDAA COCc1cc(CNC(=O)Cc2csc(C)n2)n[nH]1 72438284 PXECCGUYLYWSFK-UHFFFAOYSA-N 280.353 1.180 0 50 CDAA Cn1cc([C@H](O)C(=O)OCCOc2ccccc2F)cn1 240333307 FCXSLYLKMIWBIY-ZDUSSCGKSA-N 294.282 1.215 0 50 CDAA O=C(Cc1cccnc1)NCCCc1cccnc1 220515889 YXWZHHZKHQOJOZ-UHFFFAOYSA-N 255.321 1.768 0 50 CDAA C[C@@H]1CCc2c(sc(=O)n2Cc2nc(N(C)C)no2)C1 289369656 JYLKBSWOYFBESN-MRVPVSSYSA-N 294.380 1.532 0 50 CDAA COc1cccc([C@H](C)C(=O)N2CC[C@@H](C(=O)O)C2)c1 178275128 VMTMJCYVXIIGOU-CMPLNLGQSA-N 277.320 1.732 0 50 CDAA COc1cccc(F)c1[C@@H](C)NC(=O)[C@H]1CSCN1 162042953 HFYGDWNPELQFPG-PSASIEDQSA-N 284.356 1.674 0 50 CDAA Cc1cc(=O)cc(C(=O)N(C)CCC[C@@H]2CCCO2)[nH]1 426527052 VHYOWQPDIJQWOA-CYBMUJFWSA-N 278.352 1.715 0 50 CDAA O=c1c2cccn2cnn1Cc1noc(C2CCCC2)n1 95378506 MCRSZCWLOSHJRR-UHFFFAOYSA-N 285.307 1.585 0 50 CDAA Cc1cc(C)n(CCNc2nnc(C(C)(C)C)o2)c(=O)n1 95373855 PEUFUXVLJDNASA-UHFFFAOYSA-N 291.355 1.653 0 50 CDAA O=C1CN(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)CCN1 297509905 VZYBRMDFGOLVLK-AULYBMBSSA-N 291.326 1.213 0 50 CDAA CCN(Cc1nccn1C)Cc1cncn1CCOC 252486612 HMMYUEVKSRRCMR-UHFFFAOYSA-N 277.372 1.285 0 50 CDAA CC(C)[C@H](NS(=O)(=O)N1CCCC1)c1nccn1C 534634321 ZWIDBTCFOYCQBF-NSHDSACASA-N 286.401 1.047 0 50 CDAA COc1cc(C(=O)N2CCN(C(C)=O)CC2)ccc1C 143932850 JFWFKSFYDXXLLT-UHFFFAOYSA-N 276.336 1.308 0 50 CDAA CC(C)n1ccc(C(=O)N(C)C[C@@H]2CCOC2)n1 267377219 GMWKJXBZAHOFHY-NSHDSACASA-N 251.330 1.573 0 50 CDAA O=S(=O)(Cc1cncc(F)c1)C[C@H]1CCCO1 357111064 ZBASHPIHEFBLKT-LLVKDONJSA-N 259.302 1.315 0 50 CDAA COc1ccc2c(c1)C[C@@H](C(=O)NC[C@@H](C)C(=O)O)CO2 262937878 BYSXELCPQSMXJC-MWLCHTKSSA-N 293.319 1.083 0 50 CDAA C[C@H](CCN(C)C)NCc1cccc(-c2nn[nH]n2)c1 534576053 ORIJUWCBFOFVIJ-LLVKDONJSA-N 274.372 1.297 0 50 CDAA CC(C)N(CCNC(=O)N(C)Cc1nccn1C)C(C)C 271648324 AQNJTRYLUQTMQX-UHFFFAOYSA-N 295.431 1.680 0 50 CDAA C[C@H](NC(=O)c1cc(F)c(F)cc1F)c1ncnn1C 277360463 ZLARHCNWYJYUQZ-LURJTMIESA-N 284.241 1.723 0 50 CDAA CCC[C@@H](NC(=O)Nc1cc(C)nn1C(C)C)C(=O)NC 299794635 KXNHUGNSJSSYKR-LLVKDONJSA-N 295.387 1.809 0 50 CDAA CC(C)n1cnnc1CCNC(=O)Cc1cccnc1 299795532 KNTNRBNIPNSQFJ-UHFFFAOYSA-N 273.340 1.155 0 50 CDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC2=O)cc1 824673667 WQFBYISBHMFOJX-KBPBESRZSA-N 290.363 1.267 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)NCc1csc(N)n1 827597701 AVIYFPFFUMNALI-UHFFFAOYSA-N 277.353 1.564 0 50 CDAA Cn1cc(CCC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cn1 588093635 KYKNTQOIJMHNQK-CYBMUJFWSA-N 287.367 1.482 0 50 CDAA COCCc1nc(-c2ccoc2)n(C[C@H]2COCCO2)n1 670437988 UIIHLXQVGBFZGW-LBPRGKRZSA-N 293.323 1.142 0 50 CDAA Cc1c(C(=O)N2[C@H]3CC[C@@H]2CCN(C)C3)ccn1C 670470667 FCYQWMIXQSUFBR-OLZOCXBDSA-N 261.369 1.642 0 50 CDAA Cc1cccc(OC2CN([C@@H]3CCNC(=O)CC3)C2)c1 670457670 IBDSIDYDWLXVMT-ZDUSSCGKSA-N 274.364 1.727 0 50 CDAA CC[C@@H]1CN(C(=O)N[C@@H](C)C(OC)OC)C[C@H](C)O1 864095653 VGLUQGOAHRJAAK-GARJFASQSA-N 274.361 1.203 0 50 CDAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)[C@H]1C[C@H]2CC[C@H]1C2 685939780 CCFCDBREPVNJKP-XFWXNGHDSA-N 263.381 1.946 0 50 CDAA CC1(CC(F)(F)F)CN(C(=O)NC2CC3(C2)C[C@H]3N)C1 1551597965 CYUCARWRGBASSC-NBBOBHDQSA-N 291.317 1.850 0 50 CDAA COC(=O)c1ncoc1CNC(=O)CCCC1CC1 952884098 XGDJUHVCFZLGPO-UHFFFAOYSA-N 266.297 1.658 0 50 CDAA COc1cnc(C2(NC(=O)OCCF)CCCC2)nc1O 952878524 AAGPUCOEHJEAHM-UHFFFAOYSA-N 299.302 1.656 0 50 CDAA O=C(Nc1ccc(F)cc1F)[C@H]1CN2CC3CC2(CO1)C3 952994586 YWSRSNXGWXDIBR-KWCGZIOASA-N 294.301 1.767 0 50 CDAA C[C@H](NC(=O)C1(C(=O)O)CCOCC1)c1ncccc1F 1875292709 QJMCSSDOEXYZKM-VIFPVBQESA-N 296.298 1.279 0 50 CDAA C[C@H](CN1CC(=O)N(C[C@H]2CC2(F)F)C1=O)C1CC1 1875307605 GARAFNOYHRONEN-PSASIEDQSA-N 272.295 1.952 0 50 CDAA Nc1ccc([C@@H]2CCCN2C(=O)c2ccncc2F)nn1 886097065 LENBLZDRAWRTFL-LBPRGKRZSA-N 287.298 1.570 0 50 CDAA Cc1nnsc1CN(C)C[C@@H](C)N1CCCC1 244601810 DSBITIJCVQVWGM-SNVBAGLBSA-N 254.403 1.763 0 50 CDAA Cn1nccc1[C@H](O)CNC(=O)C1(C2CCCCC2)CC1 886242013 JZERPDDEMGETJM-CQSZACIVSA-N 291.395 1.930 0 50 CDAA Cc1c(CNC(=O)c2cnc(S)n2C2CC2)cnn1C 888098283 JQOFGWGLWNDXID-UHFFFAOYSA-N 291.380 1.479 0 50 CDAA N[C@@H]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C12CCC2 1775786758 NCYAYZMGGYPWKS-ZIAGYGMSSA-N 297.362 1.471 0 50 CDAA Cc1nc2c(C(=O)N[C@@H]3C[C@@H](N)C34CCC4)ccnc2[nH]1 1775961356 VEMUOABLJMIZER-GHMZBOCLSA-N 285.351 1.266 0 50 CDAA O[C@@H]1C[C@H](c2cc(F)ccc2F)N(CCn2ccnc2)C1 270867242 LCMZGFZNJPZEOC-IUODEOHRSA-N 293.317 1.969 0 50 CDAA CS(=O)(=O)N[C@@H]1CCN(c2nc3c(F)cccc3o2)C1 408355770 OJHDVPVCBYOIEW-MRVPVSSYSA-N 299.327 1.095 0 50 CDAA CC(C)(O)[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1 670453624 QMEHYBBPQHNLBI-SECBINFHSA-N 268.744 1.968 0 50 CDAA CSc1c(C(=O)N[C@H](CO)CC(C)C)cnn1C 170611265 WHNYGJVJSVOLEN-VIFPVBQESA-N 271.386 1.279 0 50 CDAA Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)O 584880193 HZTXYRXVDJPMNU-UHFFFAOYSA-N 255.274 1.143 0 50 CDAA CCO[C@H]1C[C@@](NC(=O)C2CC=CC2)(C(=O)O)C1(C)C 193052410 BVAPWUTUDFDGNB-XHDPSFHLSA-N 281.352 1.727 0 50 CDAA Cc1csc(C(C)(C)NC(=O)CC[C@H](C)N)n1 193302083 DIVOSWDQZWFLTL-QMMMGPOBSA-N 255.387 1.930 0 50 CDAA COC[C@@H](CC(C)(C)C)NCCc1n[nH]c(C)n1 651757831 FBRXMKDIJWEDLT-LLVKDONJSA-N 254.378 1.696 0 50 CDAA CC[C@@H](C)n1nc(C)cc1NC(=O)CCS(C)(=O)=O 1529179124 VOOYTFAJYKQLFH-SNVBAGLBSA-N 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O=C(NCc1nnc(-c2ccccc2)o1)c1cnco1 221175667 FPNVOLSDMNOSGD-UHFFFAOYSA-N 270.248 1.655 0 50 CDAA Cc1[nH]nc(C(=O)N(C)Cc2noc(C3CC3)n2)c1Cl 426510558 BGRBQPDFFAMWEO-UHFFFAOYSA-N 295.730 1.904 0 50 CDAA O=C(CCc1cn[nH]c1)N[C@@H](Cc1ccccc1)C(=O)O 426537798 WOILIISDYXQSHB-ZDUSSCGKSA-N 287.319 1.154 0 50 CDAA CNC[C@H]1CCN(C(=O)COCc2ccccc2Cl)C1 178965719 ZGOAISHBFYATOP-GFCCVEGCSA-N 296.798 1.925 0 50 CDAA CNC(=O)[C@H]1CCCN(Cc2n[nH]c(C)c2Cl)C1 97604113 YAIDVOWEYOTWLJ-VIFPVBQESA-N 270.764 1.330 0 50 CDAA Cc1ccc(-c2noc([C@H]3CCCN(C)C3)n2)nn1 91665524 SLQDMHYSMLODEG-JTQLQIEISA-N 259.313 1.644 0 50 CDAA CN(Cc1cscn1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 234298522 UXTFBDDYPDEREH-DTWKUNHWSA-N 268.338 1.602 0 50 CDAA COc1cccc(O)c1-c1nc([C@H]2CCOC2)no1 96130495 IXKJZDSXXWVMOT-QMMMGPOBSA-N 262.265 1.955 0 50 CDAA CNC[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 237259477 WMACLCLCOVYMDU-ZDUSSCGKSA-N 299.378 1.339 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 246758333 PYAZOUVPZODDAK-DCQANWLSSA-N 270.398 1.749 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0 50 CDAA O[C@@H]1CN(CCC(F)(F)F)CC[C@H]1Nc1ncccn1 299788132 VNFLRLDUXQYSRJ-NXEZZACHSA-N 290.289 1.276 0 50 CDAA Cc1nonc1CC(=O)NCCc1nc2c(s1)CCC2 299795951 MUHHKIOIUXPDHW-UHFFFAOYSA-N 292.364 1.225 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)Cn1ccnc1C 821477576 ITOMWSWGAGDSGY-GFCCVEGCSA-N 272.352 1.642 0 50 CDAA CNC(=O)CCc1ccccc1NC(=O)Cc1cccnc1 823819634 GWRKDCQBSGGVPJ-UHFFFAOYSA-N 297.358 1.941 0 50 CDAA Cc1cnn(CCc2ncnn2CC(F)(F)F)c1 825253639 PWULIRBPCNTLKX-UHFFFAOYSA-N 259.235 1.588 0 50 CDAA CC(C)C[C@H](c1ncnn1C)n1cnc2cccnc2c1=O 584903862 WKEQKIOSDIUMHZ-GFCCVEGCSA-N 298.350 1.556 0 50 CDAA CCc1nc(CCn2cnc3c(C)csc3c2=O)no1 584903713 BZCOEBRBUKZQII-UHFFFAOYSA-N 290.348 1.955 0 50 CDAA CC1=NO[C@@](C)(C(=O)NCCCNc2ccc(C)cn2)C1 670473780 XBGGTTDVOAJHEG-OAHLLOKOSA-N 290.367 1.863 0 50 CDAA Cc1ccc(NCCCNC(=O)c2coc(CN)n2)nc1 670471492 FVAVBZSKHNORGG-UHFFFAOYSA-N 289.339 1.069 0 50 CDAA CC(C)c1ocnc1C(=O)N1CCN2C(=O)OC[C@H]2C1 670469967 VGMFOKNOTRJYBI-SECBINFHSA-N 279.296 1.075 0 50 CDAA CN(C[C@@H](O)c1ccc2c(c1)OCO2)C[C@H]1CCCO1 241368009 MJHRUNBKNYWDAQ-CHWSQXEVSA-N 279.336 1.560 0 50 CDAA CN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1COC(=O)C1 864095360 HKAVZPPTJGSYAV-VIFPVBQESA-N 284.262 1.422 0 50 CDAA O=C(COCC(F)(F)F)Nc1c[nH]nc1[C@H]1CCNC1 952890846 KGYRGVFQFVCEDQ-ZETCQYMHSA-N 292.261 1.004 0 50 CDAA Cn1cc([C@@H]2C[C@H]2NC(=O)c2cc(O)nc(C3CC3)n2)cn1 1875296087 YAGIGQDKGSWCTQ-WDEREUQCSA-N 299.334 1.079 0 50 CDAA C/C=C/c1cn([C@@H](C)CNC(=O)Cc2cc(C)ccn2)nn1 1875323696 PREVGRYWAJBHIW-IHVVCDCBSA-N 299.378 1.935 0 50 CDAA C=CC(=O)N(C)C[C@H]1OCCN(C)[C@@H]1c1ccccc1 1875368098 PMLPSONWGZQRAW-GDBMZVCRSA-N 274.364 1.703 0 50 CDAA C[C@@H](Cn1cc(C2CC2)nn1)NC(=O)[C@]1(C)CCCOC1 1875320626 HUVWQSOMKAVPMP-XHDPSFHLSA-N 292.383 1.477 0 50 CDAA CC(C)C[C@H]1CN(C(=O)/C=C/c2cnc(N)nc2)CCO1 952964044 MNRVZGQCWMNXEF-OOPCZODUSA-N 290.367 1.346 0 50 CDAA C[C@@H]1Cc2cc(NC(=O)Cn3cccnc3=O)ccc2O1 885603243 DQXJSQVCFWTPTN-SNVBAGLBSA-N 285.303 1.205 0 50 CDAA CC(C)(O)CCn1cc(C[C@H](O)c2ccccc2)nn1 881315799 JEBNCPBNRQFTCC-AWEZNQCLSA-N 275.352 1.715 0 50 CDAA Cc1nnc(CN(CCN(C)C)C[C@H]2CCCO2)s1 894457769 GSQFYSOZFQTNPD-GFCCVEGCSA-N 284.429 1.389 0 50 CDAA O=C(CCCn1cccc1)N[C@@H]1C[C@@H](O)C12CCOCC2 887008543 GJCFLYOQFCCCBE-ZIAGYGMSSA-N 292.379 1.315 0 50 CDAA CCCC[C@H](NC(=O)/C=C/c1ncc[nH]1)C(=O)O 888098708 PCFSUJBQIVVJPC-CYNONHLPSA-N 251.286 1.183 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1cnc3cc[nH]c3c1)C2 1775961245 JHEWYXJAUCYLCR-VTGPFMDVSA-N 256.309 1.173 0 50 CDAA Fc1cnc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)nc1 1775961652 QEHBSOYMJHDSIM-BDAKNGLRSA-N 264.264 1.066 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)NCCc1ccccc1 1565525787 LOFSUKCNOABNHX-KBPBESRZSA-N 278.352 1.332 0 50 CDAA CC(C)O[C@@H]1C[C@H](NC(=O)Cn2nccc2N)C1(C)C 1362620019 XVUNADZPRKVNFI-WDEREUQCSA-N 280.372 1.174 0 50 CDAA Cc1nsc(NCCCCN2CCOCC2)n1 301329540 AGUZPANLACSQBF-UHFFFAOYSA-N 256.375 1.371 0 50 CDAA Clc1cccnc1NCc1cn(C[C@@H]2CCOC2)nn1 630953979 DEQIQDGOJPPEOQ-JTQLQIEISA-N 293.758 1.975 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CC2(F)F)c(F)c1 408484756 NCDFEVRXCPSPOI-SSDOTTSWSA-N 293.266 1.594 0 50 CDAA O=C(CCCC(=O)C1CC1)NC[C@H]1CCCOC1 408521943 ARDRQBKFDCDKCZ-LLVKDONJSA-N 253.342 1.679 0 50 CDAA Cc1nc(NC(=O)Cc2ccc(C)c(O)c2)n(C)n1 186909855 NRLBSZFYRZCAJI-UHFFFAOYSA-N 260.297 1.319 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 276853319 XZXHSAFLGOCPTN-ZMLRMANQSA-N 263.341 1.718 0 50 CDAA C[C@]1(C(=O)NCc2ccc3c(c2)CNC3)CCCCN1 188692017 FSDOWXQIXHHTOR-MRXNPFEDSA-N 273.380 1.438 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)Cc2ccoc2)cn1 190023904 PRJPLZSCOPZFNU-GXTWGEPZSA-N 275.308 1.202 0 50 CDAA CCC(=CC(=O)N1CCC[C@](O)(c2cnn[nH]2)C1)CC 583617847 ZCLDKVZRBGSBEV-CQSZACIVSA-N 278.356 1.361 0 50 CDAA C[C@H]1CCCN1c1nnc(C2CCC2)n1CC(=O)N(C)C 1401419613 BDCCAHQQDDHZFP-NSHDSACASA-N 291.399 1.623 0 50 CDAA CN(C)C(=O)c1ccc(CNc2cccc(CO)c2)[nH]1 191944576 BTLBWFCRHHIUHV-UHFFFAOYSA-N 273.336 1.821 0 50 CDAA CC[C@H](N[C@H]1CCc2nc(COC)nn2C1)C1CCC1 567336064 MELDKJCZXWNORX-STQMWFEESA-N 278.400 1.908 0 50 CDAA CCCC[C@H]1C=CCN1C(=O)CN1CCCC1=O 1506416056 SLMHSHUTNBSWMB-LBPRGKRZSA-N 250.342 1.566 0 50 CDAA COc1nccnc1N(C)CC[C@H](C)N1CCCC1 1506408807 XHPBSKFFFQSKDN-LBPRGKRZSA-N 264.373 1.796 0 50 CDAA Cc1ncsc1CCN(C)c1nc(N)nc2[nH]cnc12 1529099557 BTAJOZITHMWLPB-UHFFFAOYSA-N 289.368 1.379 0 50 CDAA C[C@H](CC(=O)O)N1CCN(C(=O)CC2CCCC2)CC1 630222060 CQANPQJGUPXTSF-GFCCVEGCSA-N 282.384 1.574 0 50 CDAA CCc1nocc1C(=O)NC(C)(C)[C@H](O)C(F)(F)F 1615547287 GPJSWDNDJXODKP-VIFPVBQESA-N 280.246 1.669 0 50 CDAA COc1ccc(CN2C[C@H](O)[C@@H](F)C2)c(OC)c1OC 1616098385 WWHVUBTYVULEKL-QWRGUYRKSA-N 285.315 1.227 0 50 CDAA Cc1ccc(C[C@@H](C)NC(=O)C2(N)CC(O)C2)c(C)c1 1616040897 ZRHQLEYQCHBIMF-XEBKBJJBSA-N 276.380 1.203 0 50 CDAA Cc1nc(C)c(C(=O)N(CCC(=O)O)C2CC2)o1 138097343 RAGXUTJAUVGTGF-UHFFFAOYSA-N 252.270 1.371 0 50 CDAA Cc1ccc(C)c(S(=O)(=O)NCC(F)(F)CN)c1 162626077 XUEXYUMHWYCMGZ-UHFFFAOYSA-N 278.324 1.176 0 50 CDAA O=C(N1C[C@H]2C[C@H](O)[C@H]2C1)C1(c2ccccc2F)CC1 1772706994 IRKBMONIMBMQJS-SUNKGSAMSA-N 275.323 1.697 0 50 CDAA O=C(c1cnnn1-c1ccccc1)N1CCC[C@@H]1C1(O)CC1 1772805294 JIOUXPWVLLWJDH-CQSZACIVSA-N 298.346 1.397 0 50 CDAA Cc1nnc(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)o1 1772813441 ATNNRPLGZVSPEU-GFCCVEGCSA-N 280.372 1.457 0 50 CDAA O=C1CCC(=O)N1OCCSc1ccccc1 5049880 QDFOOZBDXWBXIG-UHFFFAOYSA-N 251.307 1.859 0 50 CDAA CCc1nnc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)s1 13119536 DDXGOWKUTZDHQB-DTORHVGOSA-N 284.385 1.148 0 50 CDAA O=C(NCCN1CCOCC1)c1cc2ccccc2o1 19376273 FCNSNBUWLCERMR-UHFFFAOYSA-N 274.320 1.495 0 50 CDAA CO[C@H]1C=CC2=CCN3CC[C@@H]4COC(=O)C=C4[C@]23C1 19864716 IXPDLJKEPLTCOU-FFSVYQOJSA-N 273.332 1.445 0 50 CDAA biogenic,in-vitro CC(C)CC(=O)N1CCC(N2CCN(C)CC2)CC1 19868109 PZYXHDRJEYUFHW-UHFFFAOYSA-N 267.417 1.271 0 50 CDAA O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C1/NCCO1 1640450 SDLVBNSECJGOHA-XQRVVYSFSA-N 259.476 1.938 0 50 CDAA CN1C[C@]2(CCN(C(=O)CC3=CCCC3)C2)OC1=O 1857685038 APBSLCZGCBXKEU-AWEZNQCLSA-N 264.325 1.540 0 50 CDAA O=C(NCc1cn2ccncc2n1)c1ccsc1 1857699430 UKWFLFOOLVGIHY-UHFFFAOYSA-N 258.306 1.721 0 50 CDAA CNC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 1857731448 JHANDOLBSXPVQK-MRVPVSSYSA-N 275.333 1.395 0 50 CDAA Cc1cc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)n[nH]1 1857529406 OGPMWADQVLOHCQ-BDAKNGLRSA-N 289.339 1.393 0 50 CDAA C[C@H]1CN(CCCNCc2cncn2C)C[C@@H](C)O1 237675228 MVXXACROOIRUFX-BETUJISGSA-N 266.389 1.009 0 50 CDAA O=C1CC[C@](NC(=O)OCc2ccccc2)(C(=O)O)O1 77592 AYCUKPVNIHDFNH-CYBMUJFWSA-N 279.248 1.031 0 50 CDAA in-vitro O=C(O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 264383 UCJZOPGTBSDHOE-VXGBXAGGSA-N 289.287 1.990 0 50 CDAA Cn1cc([C@@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)cn1 116466812 VJAXVEYBRWECEL-GFCCVEGCSA-N 295.346 1.926 0 50 CDAA O=C(C1CCNCC1)N1CCN(Cc2ccccc2)CC1 4253237 NGOVHDBEXKOVET-UHFFFAOYSA-N 287.407 1.330 0 50 CDAA in-vitro Cn1cc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)c(O)nc1=O 328829136 JCYBUVXDVSUVMC-SFYZADRCSA-N 274.280 1.049 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CCCOc2cccc(F)c2)C1 237947401 VNBFXJHZSKPMDE-LLVKDONJSA-N 295.310 1.918 0 50 CDAA C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C(=O)O)CC=CC1 663103810 FOMRUDDPADLFFN-JQWIXIFHSA-N 278.352 1.006 0 50 CDAA COC[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CC1 151599239 QTCVGEGXENPBQE-NSHDSACASA-N 263.293 1.570 0 50 CDAA O=C(CCc1ccncc1)NCc1cc2n(n1)CCCC2 585130517 SOPUCCMLDZGAOC-UHFFFAOYSA-N 284.363 1.863 0 50 CDAA C[C@@H](NCc1ncnn1C)[C@H](c1ccccc1)N(C)C 585117756 VVLIFFBBSFKVTK-IUODEOHRSA-N 273.384 1.596 0 50 CDAA c1coc(CN2CCN(c3nccn4cnnc34)CC2)c1 266417381 DRXHWIUMNHNMSI-UHFFFAOYSA-N 284.323 1.040 0 50 CDAA O=C(c1ccnc2[nH]c(CC3CC3)nc12)N1CCCNCC1 911656763 SQIRSCHBIMRTQR-UHFFFAOYSA-N 299.378 1.346 0 50 CDAA CCC[C@H](CC(C)C)C(=O)NS(=O)(=O)c1cnccn1 835222278 WPTGXBMFSPLBDW-LLVKDONJSA-N 299.396 1.744 0 50 CDAA Cc1nonc1NC(=O)[C@@H]1CCc2ccccc2O1 841095540 YBBVHDXJXFUMOA-NSHDSACASA-N 259.265 1.710 0 50 CDAA C[C@H](N)C(=O)NC[C@H](O)c1cccc2ccccc12 852851027 WUBSPOLFDNEMRD-HZMBPMFUSA-N 258.321 1.337 0 50 CDAA Cn1cc(CNC(=O)Nc2nsc3ccccc23)nn1 1678972170 BNLBBFJAMQVHDK-UHFFFAOYSA-N 288.336 1.747 0 50 CDAA O[C@H](CN1CCC[C@@H]2CCCC[C@@H]21)Cn1cccn1 229240891 WYEWAMXNQLJOHG-ZNMIVQPWSA-N 263.385 1.899 0 50 CDAA Cc1cc(C(=O)NCC(=O)NC2CC2)cc(C)c1F 122240848 AGKYKHCSGHFOQB-UHFFFAOYSA-N 264.300 1.451 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1cc(C)on1 643878706 BDDLKILFUGAXOS-LBPRGKRZSA-N 254.286 1.049 0 50 CDAA CO[C@]1(C(=O)O)CCN(c2nccc(C(F)(F)F)n2)C1 703741780 KSJYIVOSMCNISN-SNVBAGLBSA-N 291.229 1.175 0 50 CDAA CCOC1CC(C(=O)N2CCCC[C@H]2c2nc[nH]n2)C1 377003561 UEFDGTPIYBPGGG-MCIGGMRASA-N 278.356 1.673 0 50 CDAA O[C@H](CN1CCC([C@H]2CCOC2)CC1)c1cccnc1 828778880 FMNBLCAMHJMLCB-JKSUJKDBSA-N 276.380 1.864 0 50 CDAA C[C@@H]1CN(C(=O)c2scc3c2OCCO3)C[C@@H](C)O1 118476 GCIXNPQAGZNIDE-RKDXNWHRSA-N 283.349 1.769 0 50 CDAA Cc1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 994947 HXCCIENHFLUHPY-YPMHNXCESA-N 279.361 1.453 0 50 CDAA CC[C@H]1COCc2nnc(Cn3nc(C)c(C)c3C)n21 2100556213 IPLCTJAUGQPZBN-LBPRGKRZSA-N 275.356 1.929 0 50 CDAA COC(=O)c1cc(C)nc(N2CC[C@H](c3ncc[nH]3)C2)n1 2325760081 FWSYDYDRRUXVBN-JTQLQIEISA-N 287.323 1.289 0 50 CDAA Cc1nc2cnccn2c1NC(=O)C1(c2cnco2)CC1 2325805583 TXXBPBJIHQOFJV-UHFFFAOYSA-N 283.291 1.696 0 50 CDAA O=C(NC1(c2nn[nH]n2)CC1)c1cc2ccoc2cc1F 2325821476 RTRKGZBWRXVHCJ-UHFFFAOYSA-N 287.254 1.504 0 50 CDAA O=C(Nc1ccns1)N1CCCn2nncc2C1 889091477 SQEOSKPNFAEONN-UHFFFAOYSA-N 264.314 1.172 0 50 CDAA COc1ccc(CCNC(=O)[C@@H]2CCCO2)cc1OC 83336 JUQQRISNXVULMV-ZDUSSCGKSA-N 279.336 1.542 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)n1ccnc1 264018 WDCJHCWEIWEZFY-UHFFFAOYSA-N 252.295 1.437 0 50 CDAA Nc1nc(-c2ccco2)nn1C(=O)c1ccc(F)cc1 350103 QOEJNDOIEPTHBU-UHFFFAOYSA-N 272.239 1.948 0 50 CDAA CCOc1cc2[nH]c(=O)[nH]c(=O)c2cc1OCC 398524 WIGJUGVJWIECFL-UHFFFAOYSA-N 250.254 1.014 0 50 CDAA O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1O 437977 MANIVYIOWWWTCT-UHFFFAOYSA-N 282.255 1.333 0 50 CDAA CCCn1nnc(NC(=O)COc2ccccc2Cl)n1 469850 XXKSNULCKIADLH-UHFFFAOYSA-N 295.730 1.754 0 50 CDAA O=C(O)c1cccc2c1C(=O)N(C[C@@H]1CCCO1)C2 4237641 VCTPYRUECQNABJ-JTQLQIEISA-N 261.277 1.520 0 50 CDAA Cc1cc(S(=O)(=O)n2ccnc2C)ccc1F 7425037 ZTVBJWFKZYDSAC-UHFFFAOYSA-N 254.286 1.876 0 50 CDAA COC[C@@H]1CN(Cc2cc(C)no2)CC(C)(C)O1 343354376 ZSJCZCBHIMACBM-LBPRGKRZSA-N 254.330 1.609 0 50 CDAA O=C1NC[C@@H](COc2ccc(Br)cc2)O1 20253888 HMVOXUWVJWDNJZ-VIFPVBQESA-N 272.098 1.936 0 50 CDAA CN1CCC(CNC(=O)COc2ccc(F)cc2)CC1 23013828 OBCBKSBILRTJGF-UHFFFAOYSA-N 280.343 1.663 0 50 CDAA O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CC=CCC1 101032557 ZWQJAINGHKKVPM-SJHCENCUSA-N 286.331 1.181 0 50 CDAA Cc1nnc(CNC(=O)CSc2ccncc2)o1 53966951 LYXPSTQKIYUWNU-UHFFFAOYSA-N 264.310 1.182 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)c1cnn2ccccc12 67921462 XKRFHOJIDLOXKN-LBPRGKRZSA-N 283.335 1.739 0 50 CDAA Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc2cccnc12 65457903 FTQSJGDQXRMMCO-UHFFFAOYSA-N 253.261 1.587 0 50 CDAA CC[C@@H](N)CC(=O)NC[C@H](c1ccco1)N(C)C 135552112 VDIPEWYFSIOQQJ-GHMZBOCLSA-N 253.346 1.126 0 50 CDAA CCCc1cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)cs1 67881481 VPTHMQWDIHSYMX-SNVBAGLBSA-N 285.390 1.741 0 50 CDAA Cc1cc(N)n(Cc2nc(CCc3ccccc3)n[nH]2)n1 65394883 ZNPQBMTTXYBRBC-UHFFFAOYSA-N 282.351 1.725 0 50 CDAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H](O)C2)c1C 229106620 SMYHTMOTIUNERN-CVEARBPZSA-N 293.407 1.808 0 50 CDAA OC[C@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 131300257 SAYQXDNVIRPJEL-NSHDSACASA-N 265.357 1.932 0 50 CDAA O=C(C[C@H]1COCCN1CCCO)c1cccs1 119625004 PLTDIMHHCHJCGY-NSHDSACASA-N 269.366 1.404 0 50 CDAA C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ncccn1 229716387 HJMSRKBDSUYKSK-UPJWGTAASA-N 276.384 1.573 0 50 CDAA CCOc1ncccc1-c1cnn(CC(=O)NC)c1 67854818 GCZVWTIVODJMGL-UHFFFAOYSA-N 260.297 1.090 0 50 CDAA CCN1CCN(Cc2cccc(F)c2)CCC1=O 64061631 HUFZYSDBFRRZPW-UHFFFAOYSA-N 250.317 1.880 0 50 CDAA O=C(CCN1CCCCCCC1)N[C@H]1CCCCNC1=O 63845319 RLHVWDFIXBZNPH-AWEZNQCLSA-N 295.427 1.428 0 50 CDAA Cn1nncc1C(=O)NC1(Cc2cccc(F)c2)CCC1 281442192 SDRVLWUXVJXHPK-UHFFFAOYSA-N 288.326 1.849 0 50 CDAA CCN(Cc1ccncc1)C(=O)CN1CCCN(C)CC1 65463888 LASJTZCJOQFLSF-UHFFFAOYSA-N 290.411 1.068 0 50 CDAA Cc1noc(CNC(=O)Cn2nc(C)c(Cl)c2C)n1 330595676 CGFPRVGWEPNYHU-UHFFFAOYSA-N 283.719 1.161 0 50 CDAA Cc1c(NC(=O)C(F)(F)F)c(=O)n(-c2ccccc2)n1C 282107 BRDJQRIUIQTCSY-UHFFFAOYSA-N 299.252 1.985 0 50 CDAA biogenic CC(C)CN1CCO[C@@H](CCNC(=O)c2cncs2)C1 71314975 WKTBZLWZLIROBM-LBPRGKRZSA-N 297.424 1.620 0 50 CDAA O=C([C@H]1CCCC(F)(F)C1)N1CCOC[C@@]12CCOC2 253395885 UPUJFMYLEGLEEQ-AAEUAGOBSA-N 289.322 1.830 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CCCOC1 328622517 BGSXYPTZTHMRGW-WOPDTQHZSA-N 251.330 1.019 0 50 CDAA CCN1CCN(C(=O)[C@@H]2OCC[C@@H]2C)C[C@H]1c1ncc[nH]1 328618072 DIWJNSDCCVJNQZ-RWMBFGLXSA-N 292.383 1.040 0 50 CDAA COc1ccc(CN2CCOC[C@H]2CO)cc1Cl 215359970 QBRGHOBYBBNHMD-LLVKDONJSA-N 271.744 1.542 0 50 CDAA Cc1cnc(C(=O)N2CC(Oc3ccc(F)cc3)C2)[nH]1 215377734 JDOCUOCPRQJWSA-UHFFFAOYSA-N 275.283 1.761 0 50 CDAA CSCc1nc(CNc2ncncn2)cs1 219346957 ZMTGNDWUCOCGGY-UHFFFAOYSA-N 253.356 1.803 0 50 CDAA C/C(=C\C(=O)N1CCO[C@H](CC(=O)O)C1)c1ccccc1 364880299 ZMFUSRKNZIEUOD-BRADTZPFSA-N 289.331 1.792 0 50 CDAA CO[C@](C)(C(=O)N1CC[C@@]2(CN=C(O)C2)C1)C1CC1 329626181 OTWSRFKIOUQTLX-UONOGXRCSA-N 266.341 1.380 0 50 CDAA CC(C)=CCC[C@@]1(C)NC(=O)N(CC(=O)NC2CC2)C1=O 156032279 LPIDTUOAWQMYMI-OAHLLOKOSA-N 293.367 1.322 0 50 CDAA OC[C@@]1(O)CCCN(Cc2cc(-c3ccccn3)no2)C1 72145453 RHNASZOIFOBRHY-OAHLLOKOSA-N 289.335 1.056 0 50 CDAA CCN(CC)CCNc1nc(C)nc2c1c(C)nn2C 72407397 PDOSMYTZIGOKOA-UHFFFAOYSA-N 276.388 1.734 0 50 CDAA CC(C)CCc1noc(CN2CCC[C@@H]2C(=O)O)n1 236632727 BFFJLUKWSRRIQH-SNVBAGLBSA-N 267.329 1.707 0 50 CDAA CCOC(=O)c1cnc(N[C@H](C)c2cnccn2)nc1C 521394695 BHOADGDSFNOTLJ-SNVBAGLBSA-N 287.323 1.925 0 50 CDAA C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCCOCC1 372361608 RKYQZIDTIGOCBL-GFCCVEGCSA-N 279.336 1.195 0 50 CDAA C[C@@](N)(C(=O)N1CCO[C@@H](c2ccccc2F)C1)C1CC1 237670869 VUCMDUWKACOOQB-ZBFHGGJFSA-N 292.354 1.853 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CCCNC3)C2)no1 158643073 YNJPHMDIKOKMNE-QWHCGFSZSA-N 292.383 1.159 0 50 CDAA Cc1cscc1CNC(=O)N1C[C@H]2[C@@H](C1)OCCN2C 334598441 NVNWSAJHZMHICO-QWHCGFSZSA-N 295.408 1.281 0 50 CDAA Cc1sccc1C(=O)N1C[C@H](C)N(CCO)[C@H](C)C1 334711193 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COC(=O)c1cc(Br)cc(N)c1OC 43828185 KQZUSVNTJVCFBU-UHFFFAOYSA-N 260.087 1.827 0 50 CDAA Cc1ncc(C(=O)NCc2ncc(Cl)cn2)[nH]1 426583908 CUWJYAOTLKHUAG-UHFFFAOYSA-N 251.677 1.092 0 50 CDAA COC1CCN(C(=O)[C@@H](N)CCc2ccccc2)CC1 131621804 NTWIHYWSVFGFJO-HNNXBMFYSA-N 276.380 1.584 0 50 CDAA CC(=O)c1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)s1 426658350 LJZAUOUEFUFINZ-UHFFFAOYSA-N 278.333 1.324 0 50 CDAA CN[C@@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 178593898 SNXLLBFQUGGENC-GFCCVEGCSA-N 272.352 1.087 0 50 CDAA Cc1nccc(C2CCN(C(=O)c3cccc(O)n3)CC2)n1 426563567 XRKSQZQLSDHEFY-UHFFFAOYSA-N 298.346 1.905 0 50 CDAA COc1csc(C(=O)N2CC[C@@](C)(C(=O)O)C2)c1 161390534 NQILOQKQTSZBAC-GFCCVEGCSA-N 269.322 1.694 0 50 CDAA O=C(Cn1ccnc1)NCCCc1nc2ccccc2[nH]1 223027649 GOUSHLDIZSFXNL-UHFFFAOYSA-N 283.335 1.508 0 50 CDAA N=c1nc(N2CCC(F)(F)CC2)cc([C@H]2CCOC2)[nH]1 426491033 IDTZNAVFMWGYSN-VIFPVBQESA-N 284.310 1.629 0 50 CDAA C[C@@]1(O)CCN(C(=O)CCc2ccc(F)cc2F)C[C@@H]1O 96165594 DNENPEHCNJCURX-DZGCQCFKSA-N 299.317 1.242 0 50 CDAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)CCc1cnccn1 426526062 KCEBSSPVLYJMCK-HNNXBMFYSA-N 297.358 1.871 0 50 CDAA COc1ccc(F)c(F)c1-c1nc(C)nn1CC(=O)O 96151185 LSMHCHQYSAQGEX-UHFFFAOYSA-N 283.234 1.625 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCn1nnc2ccccc21 426493329 XBGZKXHOZHUZDV-LLVKDONJSA-N 298.350 1.314 0 50 CDAA O=c1cc(CNC[C@@H]2CCOC2)[nH]c2c(F)cccc12 91769892 YFAAPKMRVXJMFA-JTQLQIEISA-N 276.311 1.793 0 50 CDAA O=C(NCc1cn2c(n1)SCC2)[C@H]1CCCCO1 97572129 CGXFEZCSHFPKDZ-SNVBAGLBSA-N 267.354 1.174 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)CC[C@H](C)N1CCCC1 426443081 WQUORPYSHSBISX-LBPRGKRZSA-N 292.427 1.950 0 50 CDAA Cc1cc(C)n(CCN(C)C(=O)[C@H]2CCCCCN2C)n1 91321865 JTEDHPRSERBATI-OAHLLOKOSA-N 292.427 1.833 0 50 CDAA COC(=O)C1=C(N)CCN(C(=O)OC(C)(C)C)C1 147358951 CODSNOZIVIOEGO-UHFFFAOYSA-N 256.302 1.013 0 50 CDAA Cn1ccnc1-c1cn([C@@H](Cc2ccco2)C(=O)O)nn1 95353238 ZIMHFUWHMCSSGN-NSHDSACASA-N 287.279 1.140 0 50 CDAA C[C@H]1CN(c2nc(C(N)=O)cs2)C[C@@H](C2CC2)O1 293224864 VPKDCSZYCLSSME-XVKPBYJWSA-N 267.354 1.246 0 50 CDAA CN1CCC[C@@]2(CCN(C(=O)c3ccc[nH]3)C2)C1=O 91441336 DTBSGYYXQLWSIT-AWEZNQCLSA-N 261.325 1.099 0 50 CDAA O=C(O)[C@H]1COc2ccc(Br)cc2O1 238655944 WHWHJRMUOSNQRR-MRVPVSSYSA-N 259.055 1.674 0 50 CDAA Cc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)no1 239338785 LFMZHKZTQKZRET-OINDSLJFSA-N 262.265 1.444 0 50 CDAA CN(CCC[C@@H]1CCCO1)C(=O)Nc1cnn(C)c1 96164446 GYMZWKROUXQNSC-GFCCVEGCSA-N 266.345 1.843 0 50 CDAA CCc1noc([C@H]2CCCN(C(=O)N(C)C)C2)n1 95363568 YHKKXZURUOGJME-VIFPVBQESA-N 252.318 1.493 0 50 CDAA CC(C)[C@H]1CN(S(=O)(=O)N2CCCCCC2)C[C@@H]1N 91914833 AUJFOVUYOIQFHI-OLZOCXBDSA-N 289.445 1.022 0 50 CDAA O=C(NCCCOc1cccnc1)[C@H]1CC[C@@H](O)CC1 243956980 CFEHJDXPAIWSAH-BETUJISGSA-N 278.352 1.518 0 50 CDAA Cn1nnc(CNC2(c3c(F)cccc3F)CCC2)n1 623844002 ASBBDNMPZDMIDS-UHFFFAOYSA-N 279.294 1.657 0 50 CDAA COc1cccc(S(=O)(=O)N2CCN(C(C)C)CC2)c1 252480067 BTZUENUIOYEFFS-UHFFFAOYSA-N 298.408 1.410 0 50 CDAA C[C@]12[C@@H]3[C@@H]4[C@@H]5[C@@H]4[C@H]1n1c(=O)n(-c4ccccc4)c(=O)n1[C@H]5[C@H]32 253595868 JZADYYGDWMIINM-BIRQLRRESA-N 293.326 1.038 0 50 CDAA CCN1CC[C@@H](NS(=O)(=O)Cc2cccc(C)c2)C1 359939270 NRSHWVZUGFFTKA-CQSZACIVSA-N 282.409 1.509 0 50 CDAA CCC[C@H](NC(=O)CCn1ccnc1)c1nccn1C 534650551 OKSKZBWHPDWONY-LBPRGKRZSA-N 275.356 1.664 0 50 CDAA CN1CCC(OCCCNC(=O)C2CC=CC2)CC1 534662563 OPFOMJOKTWJZJV-UHFFFAOYSA-N 266.385 1.570 0 50 CDAA O=C(O)c1cccc(OCCNC(=O)[C@@H]2CCCCO2)c1 299769360 WYOSTIVAWYBIKI-ZDUSSCGKSA-N 293.319 1.449 0 50 CDAA O=C([C@@H]1CC(CCc2ccccc2)=NO1)N1CCOCC1 299762006 UERKDDYJMFTLAS-HNNXBMFYSA-N 288.347 1.623 0 50 CDAA CC(C)c1cc(CN(C)C(=O)[C@H](C)n2cncn2)on1 299762307 TYSJTQXHZPSGAP-JTQLQIEISA-N 277.328 1.609 0 50 CDAA Cc1ccccc1[C@H](C(=O)NCc1nonc1C)N(C)C 823652609 KKBABYLFRKZTEQ-CQSZACIVSA-N 288.351 1.606 0 50 CDAA Cc1cnccc1CNC(=O)CN1CCCCCC1 827832251 DMKQWJSQLYPQIR-UHFFFAOYSA-N 261.369 1.882 0 50 CDAA CCC(=O)N[C@@H](C)c1ncnn1Cc1ccc(OC)cc1 822533252 SARTWCBKZDBUIY-NSHDSACASA-N 288.351 1.922 0 50 CDAA c1nc2[nH]cnc(NCCc3nc(C4CC4)no3)c-2n1 820385371 ATWQUHLIIGFSTB-UHFFFAOYSA-N 271.284 1.220 0 50 CDAA Cc1nc(Cn2ccc3ccccc32)n(CCO)n1 828778296 FFEYHSRAKVQQCP-UHFFFAOYSA-N 256.309 1.582 0 50 CDAA COc1nc(NCCn2cnc(C)c2C)ncc1F 824845745 DQXVIPJKMXXOKR-UHFFFAOYSA-N 265.292 1.550 0 50 CDAA CCCN1C[C@H](Nc2ncnc3[nH]ccc23)CC1=O 822919235 UWIOKCLYULDMDN-SECBINFHSA-N 259.313 1.381 0 50 CDAA COCC[C@@H]1CN(C(=O)c2ccn(C)c2C)CCO1 584891712 BFTHUZHUCBOBQH-GFCCVEGCSA-N 266.341 1.211 0 50 CDAA Cc1n[nH]c(C)c1CCCn1cnc2nccnc2c1=O 584892842 ARSYTIQTJCASCS-UHFFFAOYSA-N 284.323 1.159 0 50 CDAA Cc1cccc(N2CCN(CCn3cnnc3C)CC2)c1 670459034 RUYCVSKUHKTDMF-UHFFFAOYSA-N 285.395 1.717 0 50 CDAA CC(C)(C)OC(=O)N1CCn2ncc(C(=O)O)c21 685944187 XLIBKMQRIFTWKB-UHFFFAOYSA-N 253.258 1.336 0 50 CDAA C[C@@H]1CC[C@H](N)[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)N1 757216098 XPGJYWYAEPVISB-UVOCVTCTSA-N 265.323 1.385 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCOC[C@@H]1C(=O)O 268971737 HLHOJYZWURASHO-MELADBBJSA-N 289.331 1.411 0 50 CDAA CC1(C)OCC[C@H]1CNC(=O)c1cccn2nccc12 880755668 CSFCZPLRDZZYKU-NSHDSACASA-N 273.336 1.879 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](COC)c1ccc(F)cc1 1336177264 OJNMBFFDUMYPQZ-CYBMUJFWSA-N 294.326 1.274 0 50 CDAA CCO[C@H]1CCN(C(=O)N[C@@H]2C[C@]2(C)OCC)C1 1340510452 UMQJUTSULHSRFN-LOWVWBTDSA-N 256.346 1.374 0 50 CDAA CC[C@@H](c1nc(-c2ncncc2C)no1)N1CCCC1=O 896107034 BMFMKVXJWMSOEY-JTQLQIEISA-N 287.323 1.909 0 50 CDAA CC(C)N1CC[C@H](N[C@@H]2CCC[C@H]3OCC[C@@H]23)C1=O 245771057 MKHNSZDPYAELGA-RFQIPJPRSA-N 266.385 1.543 0 50 CDAA CC(=O)N1CCN(c2n[nH]c(-c3ccccc3F)n2)CC1 1775984729 CXFFXIUEHMNWJV-UHFFFAOYSA-N 289.314 1.279 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1Nc1nc(-c2ccccc2)no1 1565514607 NKOUDKMUUQXHRA-RYUDHWBXSA-N 284.319 1.969 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cc(C)c(F)cc2F)C1 135227271 RQTHEDXPGDNAIW-SNVBAGLBSA-N 268.307 1.955 0 50 CDAA Cc1oc2ccccc2c1C(=O)N1CCOC[C@H]1C(N)=O 185981219 PNFQEZDKGUHIDO-NSHDSACASA-N 288.303 1.068 0 50 CDAA CC[C@@H]1C[C@@H](NC[C@@H](n2cncn2)C(F)(F)F)CCO1 631209124 AYIQRISYRMVBIR-HBNTYKKESA-N 292.305 1.929 0 50 CDAA CC(=O)N(C[C@H]1CCCN1CCn1ccnc1)C1CC1 276227934 DTXZYPDHFGPJQI-OAHLLOKOSA-N 276.384 1.358 0 50 CDAA CC[C@H](SC)C(=O)N1CCN(C)[C@H](c2nccn2C)C1 276733043 QYYAPLYGIZLNFQ-RYUDHWBXSA-N 296.440 1.377 0 50 CDAA C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(CC(=O)O)c1 516044521 BHENYHXMISTPPZ-JTQLQIEISA-N 290.319 1.263 0 50 CDAA Cc1ccccc1C1(CNC(=O)[C@H]2C[C@H](F)CN2)CC1 188510589 QFHGLCFNILNOBG-GXTWGEPZSA-N 276.355 1.843 0 50 CDAA Cn1ccnc(N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c1=O 585092885 SHIMRRKFERGRIC-CABCVRRESA-N 296.374 1.243 0 50 CDAA CN(Cc1cccs1)C(=O)CN=[S@@](C)(=O)N(C)C 585090000 CXLPDDIXZFCGGM-GOSISDBHSA-N 289.426 1.281 0 50 CDAA C=CC(=O)N[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 585086950 XXBKSLFIYGNUSG-JGVFFNPUSA-N 282.369 1.366 0 50 CDAA Cc1ncoc1CNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 585087826 VDODQACALRXFKF-SNVBAGLBSA-N 295.339 1.609 0 50 CDAA CC[C@@H]1C(=O)NCCN1C[C@@H](C)CNC(=O)OC(C)(C)C 585116610 CQSXNZCCILEQHX-NWDGAFQWSA-N 299.415 1.358 0 50 CDAA CCC1(O)CCN(C(=O)[C@H](N)c2c(F)cccc2F)CC1 567244695 HZKVEJIIOGJIJA-CYBMUJFWSA-N 298.333 1.728 0 50 CDAA C[C@@](O)(CN1CCO[C@@H](CCc2ccccc2)C1)C(=O)O 567509685 LQNVWPWHFARBQS-GOEBONIOSA-N 293.363 1.156 0 50 CDAA CO[C@@H](C(=O)NCc1cccc(C(=O)O)c1)[C@@H]1CCOC1 656474978 LORVLRDUZQUHHA-CHWSQXEVSA-N 293.319 1.053 0 50 CDAA CCSCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529089699 YAXZJZMHHQLEEZ-UKRRQHHQSA-N 295.404 1.701 0 50 CDAA Cc1cc(=O)cc(O)n1CCn1cnc2ccccc21 1547211726 UEWYAJWROFEMJU-UHFFFAOYSA-N 269.304 1.912 0 50 CDAA C[C@H]1[C@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)C1(F)F 1857527208 GNIHYXBXFBZOLZ-ATZCPNFKSA-N 275.295 1.991 0 50 CDAA CCN(C)c1ccnc(NCc2ccc(C(N)=O)cc2)n1 1704345008 SZHYYBJQVLYWAI-UHFFFAOYSA-N 285.351 1.644 0 50 CDAA O=C(O)CC[C@@H]1CCN(C(=O)NC2CCCC2)C1 134434041 WJPYOESMUULPGW-SNVBAGLBSA-N 254.330 1.825 0 50 CDAA CN(C)[C@@H](C(=O)NCCCCO)c1ccc(Cl)cc1 568210056 MZUSMDUWGPYSHJ-CYBMUJFWSA-N 284.787 1.831 0 50 CDAA O=C(O)C[C@@H]1CCCCN1C(=O)Cc1cscn1 257737021 XHTDJMNXYGJENX-JTQLQIEISA-N 268.338 1.541 0 50 CDAA CCS(=O)(=O)N[C@@H](C)c1cc2n(n1)CCCC2 1615057162 FDHQDRPBKBIJEO-VIFPVBQESA-N 257.359 1.220 0 50 CDAA CCc1cn(CC(=O)NCc2ccc(F)cc2)ccc1=O 1615588232 ZOWTXKRIHFWTNG-UHFFFAOYSA-N 288.322 1.866 0 50 CDAA CCCc1nc(Cc2cccc(S(N)(=O)=O)c2)no1 1616035289 WHVXKKFRZIRLOH-UHFFFAOYSA-N 281.337 1.260 0 50 CDAA C[C@@H]1CCCC[C@@H]1CC(=O)N1CC(CO)(CO)C1 1616037365 IRYLJLSFJBSXHE-VXGBXAGGSA-N 255.358 1.016 0 50 CDAA CC[C@@]12C[C@H]1CN(C(=O)c1nnc3n1CCCCC3)C2 1772804373 NMKSYDRPXCXSTB-NHYWBVRUSA-N 274.368 1.877 0 50 CDAA O=c1cc(Br)cnn1-c1ccccn1 1772718301 SPTVECMXYIDUPD-UHFFFAOYSA-N 252.071 1.390 0 50 CDAA O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]1C1(O)CC1 1772813653 MEZAUATZHBLYQG-CQSZACIVSA-N 289.331 1.474 0 50 CDAA CC1=C[C@H]2O[C@@H]3C[C@@H](O)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1 5767464 ZSRVBNXAPSQDFY-BXLXJSPXSA-N 266.337 1.013 0 50 CDAA CCOC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)[nH]c1=O 14162988 PHIOYISOSOHDHM-NXEZZACHSA-N 279.340 1.429 0 50 CDAA COc1c2c(cc3c1[C@@H](CC(C)=O)N(C)CC3)OCO2 19701722 NUSQKVCQWJLSEH-LLVKDONJSA-N 277.320 1.932 0 50 CDAA biogenic C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)C1 1857531982 SHTNEIOBUBUXLM-IAOVAPTHSA-N 287.359 1.710 0 50 CDAA Cc1[nH]nc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)c1Cl 1857669603 MVSUQNZLWHUMJU-TVQRCGJNSA-N 299.758 1.295 0 50 CDAA O=C(C1CCC1)N1CCC(N2C[C@H]3C[C@H](O)C[C@H]3C2)CC1 1857693844 PAMAGAZIDGWWLX-FOLVSLTJSA-N 292.423 1.480 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)N2Cc3cnc(C)cc3C2)C[C@H]1N 1857741066 AYGHMGMZDJJBBK-NILFDRSVSA-N 289.379 1.375 0 50 CDAA Cc1nc([C@H]2CCCCN2C(=O)c2cc(C)on2)n[nH]1 407979619 CXIFXVWBNVUFEP-LLVKDONJSA-N 275.312 1.777 0 50 CDAA Cc1nn(C)cc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 224681375 ZVQGPHPLYDASRC-WXHSDQCUSA-N 291.351 1.586 0 50 CDAA C[C@@H]1CCCN1C(=O)c1ccc(Cn2ccnn2)cc1 625915758 ZARABPHIGDQHKP-GFCCVEGCSA-N 270.336 1.951 0 50 CDAA CC(C)(C)N1C[C@H](NC(=O)Nc2ccc(F)cn2)CC1=O 122638693 GYCJYABAGVZXMU-SNVBAGLBSA-N 294.330 1.742 0 50 CDAA CC1(C)CN(C(=O)CCc2nn[nH]n2)[C@H]2CCC[C@H]21 633212227 FPPBIOIVFGPPDE-ZJUUUORDSA-N 263.345 1.169 0 50 CDAA O=C(NCCCn1ccnn1)N1CCC[C@H]1[C@H]1CCCO1 252480236 BYTSMYZWLCCQCX-QWHCGFSZSA-N 293.371 1.021 0 50 CDAA CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@H]1O 252487413 XEPZKCVKBIJDII-ZIAGYGMSSA-N 263.337 1.433 0 50 CDAA in-vitro CC1=NN(c2ccccc2)C(=O)[C@H]1C(C)(C)S(=O)(=O)O 261509094 ZTRMFRPCFQOIBI-NSHDSACASA-N 296.348 1.692 0 50 CDAA in-vitro Cc1nn(-c2ccccc2)cc1N[C@H]1CCN(C)C1=O 585081059 MLKXLXFGGGHYIF-ZDUSSCGKSA-N 270.336 1.823 0 50 CDAA CN(C)C(=O)c1cc(NC(=O)N[C@]2(C)CCOC2)ccn1 163787726 KTNLAVPVVANBPR-CQSZACIVSA-N 292.339 1.084 0 50 CDAA C[S@](=O)c1nncn1CCc1nsc2ccccc12 594887962 NVEIVRPSUUEQCI-IBGZPJMESA-N 292.389 1.868 0 50 CDAA Cc1cnc([C@@]2(NC(=O)c3cc[nH]c3C)CCOC2)[nH]1 818674011 MFTMBJIWDGBWCH-CQSZACIVSA-N 274.324 1.400 0 50 CDAA CN(CC(=O)O)C(=O)Nc1ccc(C2CCC2)cn1 908681655 MICCSPYNAVIDIU-UHFFFAOYSA-N 263.297 1.897 0 50 CDAA Cn1ccc(CCNC(=O)Nc2cncc(Cl)c2)n1 932117492 UFRDWVYHBSNULR-UHFFFAOYSA-N 279.731 1.833 0 50 CDAA OCCn1ccc(Nc2cc(C(F)F)ncn2)n1 1119943125 ZRQZKBLUAXEOAW-UHFFFAOYSA-N 255.228 1.347 0 50 CDAA O=C(C=C1CCCC1)NC[C@@H](C(=O)O)C1CCOCC1 836748403 SWXZJSKWDQMGKT-CYBMUJFWSA-N 281.352 1.730 0 50 CDAA Cc1cc(NC2(CO)CCOCC2)c(C(=O)O)cn1 230740508 JVCVDXZNAFWHJJ-UHFFFAOYSA-N 266.297 1.042 0 50 CDAA CCN(CC(F)F)C(=O)c1cccc(C(=O)O)n1 263349007 OWZRHVXOAWAWLC-UHFFFAOYSA-N 258.224 1.507 0 50 CDAA CCc1nccn1[C@H]1CCCN([C@@H](CC)C(=O)O)C1 191434346 ORQZCLDHCSXYQB-RYUDHWBXSA-N 265.357 1.946 0 50 CDAA O=C(Cc1cccnc1)N1CCC(c2ncc[nH]2)CC1 72470202 CFXCMXIWBSZQIU-UHFFFAOYSA-N 270.336 1.753 0 50 CDAA CN(C)Cc1ccccc1CNC(=O)c1c[nH]c(=N)s1 584886124 MPMCIPNXMMPDOH-UHFFFAOYSA-N 290.392 1.547 0 50 CDAA COCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 4003833 XZAOMSOMLHFVOH-UHFFFAOYSA-N 282.303 1.981 0 50 CDAA CN(C(=O)[C@]1(O)CCNC1)[C@H]1C[C@H](c2ccccc2)C1 2325801390 FYIILMRFQSGYEJ-DZKIICNBSA-N 274.364 1.115 0 50 CDAA Cc1cc(-c2ccc(-n3ccnc3O)nc2)n(C)n1 2325865114 NCJLNSPITJTKGU-UHFFFAOYSA-N 255.281 1.682 0 50 CDAA O=C(N[C@H]1CC[C@@H](CO)CC1)[C@H](O)c1ccccc1 121983549 XEZAVZIKEOVUGN-MRVWCRGKSA-N 263.337 1.387 0 50 CDAA O=C(O)c1ccc(CNC(=S)NC[C@H]2CCCO2)cc1 609670 XKIXTKRVPJSOFY-GFCCVEGCSA-N 294.376 1.528 0 50 CDAA CC(=O)Nc1ccc(C(=O)CSc2nncn2C)cc1 1111217 KMHJEBFUNCYQNF-UHFFFAOYSA-N 290.348 1.749 0 50 CDAA Cc1cc(NC(=O)CCc2nc(Cl)n[nH]2)c(O)nc1C 2356152632 SLNHMPREHBUWHB-UHFFFAOYSA-N 295.730 1.747 0 50 CDAA Cc1ccc(N(CC(=O)NC(C)C)S(C)(=O)=O)c(C)c1 2959218 GVVUFGUAPPAKOB-UHFFFAOYSA-N 298.408 1.594 0 50 CDAA COc1cc(C(=O)N[C@H]2CC[C@H](OC)CC2)ccn1 2356160156 GCAJZMHYZTUBBK-HAQNSBGRSA-N 264.325 1.778 0 50 CDAA C[C@H]1CCc2c(C(=O)NN3CCN(C)CC3)csc2C1 3613471 OVZSNEOFLRZEAL-NSHDSACASA-N 293.436 1.765 0 50 CDAA O=C(O)C[C@H](C(=O)NC1CCCCC1)[C@H]1CCCO1 6492874 KRMTXYZCTHHDLR-NWDGAFQWSA-N 269.341 1.705 0 50 CDAA COc1cc(C)ccc1S(=O)(=O)NCc1cccnc1 6697804 LAERUUDTYCGJPW-UHFFFAOYSA-N 292.360 1.877 0 50 CDAA Cn1ccnc1SCC(=O)Nc1nncs1 6700546 GXILIQFUHMDDMP-UHFFFAOYSA-N 255.328 1.002 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)sc1C 225459412 HYMJSLNZFLFWPB-MWLCHTKSSA-N 288.438 1.865 0 50 CDAA CCNc1nc(C)c(C(=O)N2CCN[C@H](CC)C2)s1 67908763 XWMYNEHJOWSLIG-SNVBAGLBSA-N 282.413 1.707 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H]2CCO[C@H]21 1074612523 QBONPZYLVQCKAB-XXSPCDMZSA-N 294.351 1.578 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2ncc(C)o2)C1 347920989 KJAVISVIAMQDSI-KBPBESRZSA-N 279.384 1.668 0 50 CDAA O=C(c1cnc(O)c2ccccc12)N1C[C@@H](O)[C@H](F)C1 1506425083 CEPFBPZXQSSIBL-VXGBXAGGSA-N 276.267 1.095 0 50 CDAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cnnn1C 281156340 BGXOOBFOMVSQMO-VIFPVBQESA-N 290.371 1.566 0 50 CDAA CCn1nc(C)c(NC(=O)CN2CC[C@@H](F)C2)c1C 65403270 JYWNGTVCRRDJGG-LLVKDONJSA-N 268.336 1.502 0 50 CDAA CC(C)(CO)CCc1nc2c([nH]1)CC(C)(C)CNC2=O 65432068 RCZVVLDEXTYKLN-UHFFFAOYSA-N 279.384 1.673 0 50 CDAA Oc1cccc(CN2CC[C@@](O)(CN3CCCCC3)C2)c1 77392943 XBDRDYYWYPCPLL-QGZVFWFLSA-N 290.407 1.815 0 50 CDAA CCCCCc1nnc(NC(=O)[C@@H]2CCC(=O)N2)s1 78230369 PJDKJCZNIIKWDT-QMMMGPOBSA-N 282.369 1.488 0 50 CDAA Cc1c[nH]nc1C(=O)N1CCCC[C@@H]1CC(=O)O 257699384 OEHGORGQBXEDET-SECBINFHSA-N 251.286 1.188 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)N[C@@H]2CCC[C@@H](N)C2)C1 332335639 OPZYOQWJOZKVIY-JHJVBQTASA-N 283.416 1.449 0 50 CDAA C[C@@](CO)(NC[C@H]1CCOC1)c1cccc(O)c1 330870231 ZIHJETXUHFZPCA-RISCZKNCSA-N 251.326 1.226 0 50 CDAA COCCn1cnnc1Cn1ccnc1-c1ccoc1 72151633 KBTBGMCXSNKQRK-UHFFFAOYSA-N 273.296 1.429 0 50 CDAA COC[C@H]1CCCCN(C(=O)c2cnn(C)c2C)C1 364126685 MEAPHGNLAIFRGJ-LBPRGKRZSA-N 265.357 1.617 0 50 CDAA CNC[C@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 237082620 KRYSMZXVWCMFEI-CYBMUJFWSA-N 299.378 1.339 0 50 CDAA O=C([C@H](O)c1ccccc1)N1CCC(c2cn[nH]c2)CC1 369933413 DATGIZCNQYHKGM-OAHLLOKOSA-N 285.347 1.849 0 50 CDAA O=C(c1ccc2nccnc2n1)N1CCOC2(CCCC2)C1 333546265 LVGRQWKTBOYSEV-UHFFFAOYSA-N 298.346 1.810 0 50 CDAA C[C@@H](CN)C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 262418793 RMZUCQLAQXKQEB-GXFFZTMASA-N 281.787 1.408 0 50 CDAA Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)N1CCOCC1 30781657 ZXCGIXYZCCRFPQ-ZDUSSCGKSA-N 282.727 1.078 0 50 CDAA CO[C@@H]1COC[C@H]1n1cc(CNC(C2CC2)C2CC2)nn1 377798910 OKSXDKHQPRGRKE-ZIAGYGMSSA-N 292.383 1.143 0 50 CDAA O=C(CC1(O)CCCC1)N1CC[C@@](O)(C2CC2)C1 336111855 KZFNERJTROCRTH-AWEZNQCLSA-N 253.342 1.055 0 50 CDAA CN(CC(N)=O)c1cc(-c2ccccc2F)nc2ccnn12 72168928 YLVRUNSOULPBDC-UHFFFAOYSA-N 299.309 1.457 0 50 CDAA Cc1nc(CN2CCC[C@H](c3nnc4ccccn34)C2)no1 76394738 SWXLGYGZZOLRJA-LBPRGKRZSA-N 298.350 1.800 0 50 CDAA NC[C@@H]1CCCCN1C(=O)c1ccc(-c2ncon2)cc1 131099425 MAAIUAKNBOSEAO-ZDUSSCGKSA-N 286.335 1.690 0 50 CDAA NC(=O)[C@]1(O)CCCN(Cc2cc(F)ccc2Cl)C1 286196276 NSNYYFDRTLREAQ-ZDUSSCGKSA-N 286.734 1.291 0 50 CDAA O=C(O)c1cccc(N2CC[C@H](n3cccn3)C2)n1 263376371 BLURZQJQKKJVOT-JTQLQIEISA-N 258.281 1.428 0 50 CDAA Cn1ncc2c(NCC3([S@@](C)=O)CC3)ccnc21 286543304 TVCGXXNULQSKMI-GOSISDBHSA-N 264.354 1.291 0 50 CDAA COCc1nc(C)c(CNC(=O)Cc2cc(C)no2)s1 222397559 YTNAIXKYNXVRLX-UHFFFAOYSA-N 295.364 1.753 0 50 CDAA C[C@@H](CN(C)c1ccc2nnc(C(C)(C)C)n2n1)C(=O)O 263561549 RYNLWIQDIQDVSS-VIFPVBQESA-N 291.355 1.579 0 50 CDAA CCc1nc(NC(=O)NCc2ccc(OC)cc2)nn1C 48130284 XSBFSQAVPNTYTN-UHFFFAOYSA-N 289.339 1.708 0 50 CDAA N[C@@H]1CCCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 82107645 GUCCWJQNSRVVIT-GFCCVEGCSA-N 276.336 1.298 0 50 CDAA Cc1c(C(=O)N2CCC[C@H]2C(=O)O)cnn1C(C)(C)C 178276557 PCXXOMSZMBKJBX-NSHDSACASA-N 279.340 1.636 0 50 CDAA O=C(NCCc1ccccc1F)NC[C@H]1CCCN1 426506861 TXARIHCVSGMNKX-GFCCVEGCSA-N 265.332 1.419 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1ccc(-c2cnc(O)nc2)cc1 426707366 GBCOFQYYQCNESA-AWEZNQCLSA-N 299.330 1.758 0 50 CDAA CO[C@@](C)(C(=O)Nc1cnn(CC(F)F)c1)C1CC1 291799544 YOYPEKBOJVZFGO-GFCCVEGCSA-N 273.283 1.902 0 50 CDAA COc1ccsc1C(=O)N1CCOC[C@@H]1CC(=O)O 161422851 SLCFULGMXJBOTK-QMMMGPOBSA-N 285.321 1.072 0 50 CDAA Cc1cnc(NCCCN2CCCC[C@@H]2CO)nc1 95369958 MOHNPOBHKVXDEO-CYBMUJFWSA-N 264.373 1.434 0 50 CDAA Cc1noc(C2CCN(C(=O)[C@@H]3CCC[C@H](N)C3)CC2)n1 237683400 RFQGANGSJIIZHE-OLZOCXBDSA-N 292.383 1.602 0 50 CDAA O=C1CCCN1CCN1CCC[C@@](CC2CC2)(C(=O)O)C1 91817981 FVQFLOVSUMQDCO-INIZCTEOSA-N 294.395 1.576 0 50 CDAA CCCC[C@@H]1C=CCN1C(=O)CN1CCC(C(N)=O)CC1 92077136 PFQJZJLMYVEPFS-CQSZACIVSA-N 293.411 1.141 0 50 CDAA CN1CCCC[C@H]1C(=O)NCCc1nc2ccccc2[nH]1 97743531 IYMFAXLMBNQXCC-AWEZNQCLSA-N 286.379 1.706 0 50 CDAA Cc1nc(CSc2nnc(C3CCNCC3)n2C)no1 426677853 DYIYHVLQIJARDD-UHFFFAOYSA-N 294.384 1.266 0 50 CDAA O=C(CCc1n[nH]c2c1CCCC2)NC[C@@H]1CCCO1 97772710 LRCCWBYTYZTJDZ-NSHDSACASA-N 277.368 1.516 0 50 CDAA Cc1noc(C)c1CCCNC(=O)Nc1cnns1 96180100 RUMHATPFFVKOFK-UHFFFAOYSA-N 281.341 1.897 0 50 CDAA CCc1c(C)nc(N)nc1NCc1cnn(CC)c1 91426487 IZVIATCANFOUAD-UHFFFAOYSA-N 260.345 1.758 0 50 CDAA CC(C)C[C@H](C(=O)O)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 238856620 WOYPYWBRVFMWEQ-GMTAPVOTSA-N 265.309 1.437 0 50 CDAA CC[C@@H](NC(=O)Cc1ccc(O)cc1)[C@H]1C[C@H](O)C1 244873285 WNIZVZDLFOQMSO-MRVWCRGKSA-N 263.337 1.600 0 50 CDAA O=C(c1ccc(F)c(F)c1)N1CCN([C@@H]2CCNC2)CC1 244900149 ZWXAQZMPZVBKJN-GFCCVEGCSA-N 295.333 1.085 0 50 CDAA CCCc1nnc(NC(=O)N2CCC[C@H](O)CC2)s1 296191927 HIMNPVMALRFNFY-VIFPVBQESA-N 284.385 1.869 0 50 CDAA COCCN(CC(F)F)C(=O)c1ccc(O)cc1O 299597663 MCCVWPQSJIOVQM-UHFFFAOYSA-N 275.251 1.452 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C1CCCCC1 299751349 QMAOGICYILNQFR-AVGNSLFASA-N 281.352 1.515 0 50 CDAA Cn1ccc2c(OCC(=O)Nc3ncc[nH]3)cccc21 252487449 HWIXUCOYCAFQPE-UHFFFAOYSA-N 270.292 1.919 0 50 CDAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1C=CCN1 534662695 DQHAHERATSWMHN-CYBMUJFWSA-N 274.368 1.165 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)CCOc1ccccc1 534586232 PDENGZQIAKIJKT-KBPBESRZSA-N 279.336 1.376 0 50 CDAA Cc1noc(CC2CCN(C(=O)c3cnoc3C)CC2)n1 299757477 HWCDCSODFARKIJ-UHFFFAOYSA-N 290.323 1.769 0 50 CDAA CC(C)CN(CC(=O)O)c1cc([C@@H]2CCOC2)ncn1 299785307 XVTVRXFWUXQCLS-LLVKDONJSA-N 279.340 1.528 0 50 CDAA Cn1cnc2cc(C(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)ccc21 826846918 LEUXMNNNABEFQD-VXGBXAGGSA-N 298.346 1.123 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC(C)(C)c1ccc(C)cn1 862780245 PABQBNKOWSUHPE-UHFFFAOYSA-N 289.379 1.428 0 50 CDAA Cc1nc2cc(CNC(=O)C3CCOCC3)ccc2n1C 670463039 GXNOHTUJMGLQHR-UHFFFAOYSA-N 287.363 1.925 0 50 CDAA O=C(NCC1(CO)CCC1)[C@@H]1CCCN2CCCC[C@H]12 670450261 QQGIBJOBJACHOR-ZIAGYGMSSA-N 280.412 1.530 0 50 CDAA CN1CCN(CC(=O)Nc2cccc(Cl)c2)CC1 19368114 UXAAGHBQUCXQRZ-UHFFFAOYSA-N 267.760 1.526 0 50 CDAA CCCC[C@@H]1C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 670450474 ZMRHNGRCIZFOMZ-OLZOCXBDSA-N 268.401 1.386 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)CN(C)C1CCCC1 670436355 XOAMZBQYKGWVDR-LBPRGKRZSA-N 293.415 1.911 0 50 CDAA CCOC1(C(=O)N[C@H]2CCn3ccnc32)CCCC1 1544082456 UFPWRZHHVFCJJA-NSHDSACASA-N 263.341 1.793 0 50 CDAA Cn1cc([C@H]2N(C(=O)NCCC3(N)CC3)CC2(C)C)cn1 952891891 ACGGHTIOUUESJI-GFCCVEGCSA-N 291.399 1.394 0 50 CDAA CCN(Cc1cc(O)nc2ccccc12)[C@H]1CCNC1=O 1875292248 BBFPXSYSAXOEGO-AWEZNQCLSA-N 285.347 1.651 0 50 CDAA C[C@@H]1NC(=O)[C@H](c2ccc(Br)cc2)NC1=O 1875278902 UUWXFIYXXANQDA-RCOVLWMOSA-N 283.125 1.125 0 50 CDAA Cc1nn(C)cc1NC(=O)c1cc2ncccn2n1 1146803081 MYWNEGJBBYGRQJ-UHFFFAOYSA-N 256.269 1.024 0 50 CDAA Cn1c(-c2cn[nH]c2)nnc1N1CCc2cc(O)ccc2C1 1338832552 MRBPZIGCPVEMMF-UHFFFAOYSA-N 296.334 1.474 0 50 CDAA Cc1cccc(CS(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)c1 269608072 DHMHMTQVPHPJDA-DZGCQCFKSA-N 296.436 1.884 0 50 CDAA Cc1cccc2c1CN(C(=O)[C@]1(C)CCNC(=O)C1)CC2 898700425 PXFIDCXLPINORF-QGZVFWFLSA-N 286.375 1.796 0 50 CDAA O=C(C[C@@H]1C=CCCC1)NCCc1cnc(O)nc1 899695588 SYIPHZYKPQGCMJ-LLVKDONJSA-N 261.325 1.587 0 50 CDAA CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1ccc(O)cc1 271683176 IWNBZBWUVFJAMA-HUUCEWRRSA-N 297.420 1.880 0 50 CDAA FC1(F)CCC[C@@H]1NCc1cn(C[C@H]2CCOC2)nn1 631135789 DMDBOHXYVKVHSM-PWSUYJOCSA-N 286.326 1.592 0 50 CDAA CN1CC[C@@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]2C1 631327551 RTEPKWWBHPOOLF-MNOVXSKESA-N 257.341 1.346 0 50 CDAA Cc1nc[nH]c1CNC(=O)[C@@H]1CCCO[C@H]1C(C)C 408474847 SWVZEGDEPDTZDN-YPMHNXCESA-N 265.357 1.786 0 50 CDAA C[C@]1(NS(=O)(=O)c2ccccc2)CCO[C@H]1C1CC1 273030261 BYOYVMCOOONVPK-KBPBESRZSA-N 281.377 1.923 0 50 CDAA C[C@H](NCc1nncn1-c1ccccc1)[C@H]1CCCO1 273186147 PCOKWTZMPIWHCM-GXTWGEPZSA-N 272.352 1.924 0 50 CDAA CNC(=O)CNC(=O)/C=C(\C)c1ccccc1F 222137247 AJAKIPHVLVGEGR-VQHVLOKHSA-N 250.273 1.091 0 50 CDAA CNc1cc(N2CCC[C@H]2CNc2ncccn2)ncn1 109145679 NZNZVMSEQFZIJK-NSHDSACASA-N 285.355 1.389 0 50 CDAA COC[C@H]1CCCN(C(=O)c2ccnnc2C)CC1 633367826 SCXWSEVDVQHIQW-LBPRGKRZSA-N 263.341 1.674 0 50 CDAA CC(C)[C@@H](CO)C(=O)NC[C@@](C)(O)c1ccccc1 170600695 AKFSOORCDJGFSP-UKRRQHHQSA-N 265.353 1.275 0 50 CDAA CO[C@H](C)C(=O)N1CCC(O)(Cc2ccncc2)CC1 552213116 DPYUFYRJIOXUEJ-GFCCVEGCSA-N 278.352 1.013 0 50 CDAA CCn1cc(CC(=O)N2CCc3ccccc3[C@H]2CO)cn1 585080962 JFGJMKUTRCLVNO-MRXNPFEDSA-N 299.374 1.564 0 50 CDAA Cc1cccc(C)c1NC(=O)N1C[C@H]2C[C@H]1C(=O)O2 585119810 VGSRXNWYLBHLGB-MNOVXSKESA-N 260.293 1.835 0 50 CDAA CCc1nnc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)s1 585135332 BYJMTCUTUQLFBD-RKDXNWHRSA-N 268.386 1.265 0 50 CDAA CN(C)C(=O)C[C@]1(O)CCCN(CCc2ccccc2)C1 643753979 QQCLQJBOXMOQTI-QGZVFWFLSA-N 290.407 1.534 0 50 CDAA O=C(CCc1cccc2c1OCO2)NC[C@H]1CC[C@H](O)C1 191177946 IBAMFXWBOYQIBL-AAEUAGOBSA-N 291.347 1.625 0 50 CDAA CCN1OC[C@@H](N2Cc3cnn(-c4ccccc4)c3C2)C1=O 660647034 OLOIQPCOSPUBOA-OAHLLOKOSA-N 298.346 1.350 0 50 CDAA Cc1nnc(CN2CCC[C@](O)(C3CC3)C2)s1 661632715 RTGHNOSHFLUYCE-GFCCVEGCSA-N 253.371 1.583 0 50 CDAA O=C(NOC1CCOCC1)[C@@H]1CCCc2n[nH]cc21 772709857 JZSLXEZYCZPPNF-SNVBAGLBSA-N 265.313 1.056 0 50 CDAA Cc1nc(N)nc(NC[C@H](CO)C(C)C)c1Cl 1506417996 PZNDXACKBNTOOC-MRVPVSSYSA-N 258.753 1.697 0 50 CDAA CCC1(CO)CCN(C(=O)c2cnns2)CC1 408039286 VSTAMBCWCRVALQ-UHFFFAOYSA-N 255.343 1.163 0 50 CDAA C[C@@H]1CCC[C@H](OCC(=O)N2CC[C@H](N)C[C@H]2C)C1 408519193 QAECIQOSFMQBCA-MQYQWHSLSA-N 268.401 1.920 0 50 CDAA CCNC(=O)[C@@H]1CCN(c2ncc(Cl)cc2F)C1 1529167946 RYIGLJCKBYCGOK-MRVPVSSYSA-N 271.723 1.837 0 50 CDAA Cn1cccc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1 129754148 NIOAEZRETPXEEX-VIFPVBQESA-N 275.274 1.392 0 50 CDAA CCOC(C)(C)C(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704358586 ONWBNTLRYRVGPT-IUODEOHRSA-N 269.385 1.955 0 50 CDAA CN(CCOc1ccc(F)cc1)C(=N)NC[C@H]1CCCO1 1615567967 DAVVGMYWXUJXJR-CQSZACIVSA-N 295.358 1.840 0 50 CDAA O=S(=O)(N[C@@H]1[C@H]2COC[C@H]21)[C@H]1C[C@@H]1c1ccccc1 1616028897 JMBLOFHKBQWYOK-DGTMBMJNSA-N 279.361 1.107 0 50 CDAA C/C=C/CCCC(=O)N1C[C@@H]2CCCN2C(=O)[C@H]1C 1772711274 AHHHAMRNAPENKB-HNFMAKEJSA-N 264.369 1.955 0 50 CDAA CN(CCCn1cccn1)C[C@@H]1CCC(=O)N(C)C1 1775984507 WNAARFFERHDXBT-ZDUSSCGKSA-N 264.373 1.073 0 50 CDAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C)CC1 20149314 QIFGAFIMPRFEKT-LLVKDONJSA-N 282.771 1.881 0 50 CDAA Cc1noc(C)c1CC(=O)NCc1[nH]nc2ncccc12 1772819748 RSIMUFIVNDPWPA-UHFFFAOYSA-N 285.307 1.422 0 50 CDAA COc1ccccc1C(=O)N1CCO[C@@H](CCN(C)C)C1 12439779 HXMIIMXZXMCCCB-ZDUSSCGKSA-N 292.379 1.488 0 50 CDAA COC[C@@H](O)C[S@](=O)Cc1ccc(Cl)cc1 5356003 OZUFXQNJHJMIKD-BZNIZROVSA-N 262.758 1.596 0 50 CDAA CN(C)C(=O)CSc1nc(-c2ccncc2)n[nH]1 5686932 HLSQSLKOFQHRIK-UHFFFAOYSA-N 263.326 1.047 0 50 CDAA O=C([C@H]1CCCO1)N1CCN(CCc2ccccc2)CC1 16602665 IUZRCFANSVKMQJ-MRXNPFEDSA-N 288.391 1.552 0 50 CDAA CCCC[S@](=O)C[C@H](O)COc1ccccc1 16662162 UMOPQQMABRASPP-SJKOYZFVSA-N 256.367 1.975 0 50 CDAA CN(C)c1nsc(-c2cccc(CC(=O)O)c2)n1 1875251294 WIQQHBKSKGXKMO-UHFFFAOYSA-N 263.322 1.898 0 50 CDAA O=C(N=c1cc2n([nH]1)CCC2)[C@@H]1CCC[C@H](F)C1 1857527749 UNPGWZAEEWAKJG-ZJUUUORDSA-N 251.305 1.718 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)c1nc3ccccn3c1C)CC2 1857709178 JCKZIPBJIPQDPL-UHFFFAOYSA-N 295.346 1.873 0 50 CDAA C1C[C@@H]2CO[C@H](c3noc([C@@H]4C[C@]45CCOC5)n3)CN2C1 329598826 PTEGHCFINUVULS-YXMPFFBPSA-N 291.351 1.499 0 50 CDAA CCn1cc(C2CCN(C(=O)[C@@H]3CCC[C@H]3N)CC2)cn1 237017138 WEKUEKQYHBWGQF-HUUCEWRRSA-N 290.411 1.736 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CCc2ccccc2F)CCO1 237965785 WGXVMGZAELEVHS-GFCCVEGCSA-N 281.283 1.070 0 50 CDAA CC(C)(CNC(=O)c1cc(C(N)=O)c[nH]1)C1(O)CCCC1 456851161 AXMPLWYIIFYLTA-UHFFFAOYSA-N 293.367 1.175 0 50 CDAA COCCn1ccnc1CN1C[C@H](C(=O)O)[C@@H](C2CC2)C1 253613849 OMRNMPQWEXSKRR-OLZOCXBDSA-N 293.367 1.072 0 50 CDAA CSC[C@H](C)C(=O)NCc1nnc2c(Cl)cccn12 585131218 OXYRNXPZIRGMLS-QMMMGPOBSA-N 298.799 1.998 0 50 CDAA O=C1N[C@@H](C2CCCCC2)C(=O)N1c1cccnn1 900201522 VEEODMNLGPCWTL-NSHDSACASA-N 260.297 1.482 0 50 CDAA CCc1ncc(CNC(=O)c2cc(C(F)F)n(C)n2)o1 821831144 SBJBMXBXXHVBGY-UHFFFAOYSA-N 284.266 1.838 0 50 CDAA C[C@H](O)c1ncc(C(=O)NCC23CCCN2CCC3)s1 834751364 ADNPFOWVRMTTTB-JTQLQIEISA-N 295.408 1.555 0 50 CDAA Cc1ccc(N)cc1C(=O)Nc1cnn(C2CCNCC2)c1 843456598 IIXZBEIKEMHFBP-UHFFFAOYSA-N 299.378 1.951 0 50 CDAA COC[C@H](NC(=O)[C@H](CC(C)C)C(C)C)C(=O)O 1875271292 WMRSUNUFNFIZDL-MNOVXSKESA-N 259.346 1.521 0 50 CDAA Cc1nc(C)n([C@@H]2CCCN(c3ccnc(CO)c3)C2)n1 858399090 SJFPJKFIBDSWES-OAHLLOKOSA-N 287.367 1.624 0 50 CDAA O=C(O)[C@H]1CCCN1Cc1cccc2c1OCCO2 238100610 QPEJPCAYGGGDKH-LLVKDONJSA-N 263.293 1.507 0 50 CDAA COc1ccc(Cl)cc1CC(=O)N1CCC[C@H](N)C1 157701830 QRILBHLJALPEMF-LBPRGKRZSA-N 282.771 1.841 0 50 CDAA CN(CC(=O)NC[C@@H]1CCCO1)Cc1ccoc1 52442816 ISEFCMOUVMVNMY-LBPRGKRZSA-N 252.314 1.007 0 50 CDAA CCN(CC)CCCN1CCO[C@@]2(CCOC2)C1 191839491 DPHHBHHCVIAGCC-AWEZNQCLSA-N 256.390 1.210 0 50 CDAA CCO[C@@H]1C[C@@H](NCc2nnnn2C)C12CCCCC2 328586772 MDYLCIQOJMYXOF-VXGBXAGGSA-N 279.388 1.428 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1noc(C2CC2)n1 643879351 QDVPLOUWZXOALD-CYBMUJFWSA-N 281.312 1.013 0 50 CDAA Cn1nnc(CN2CC[C@H](C(F)(F)F)C2(C)C)n1 336785436 DLJBJMVPNQBRDD-ZETCQYMHSA-N 263.267 1.373 0 50 CDAA CCc1noc(C)c1CN1CCC[C@]1(C)C(=O)O 652480682 NRAVAHSSRLNTFS-CYBMUJFWSA-N 252.314 1.985 0 50 CDAA Cc1cc(C(=O)N2C[C@H](N)CC[C@H]2C(F)(F)F)on1 379271738 MNGGFSNQBGTINQ-APPZFPTMSA-N 277.246 1.477 0 50 CDAA COCc1csc(CNCc2cnn(C)n2)c1 695509598 JOZQPQWGIOHFIQ-UHFFFAOYSA-N 252.343 1.313 0 50 CDAA CCCOC[C@H]1CCN(CCN2CCOCC2)C1 822973945 KLEVYNMSXYQALD-AWEZNQCLSA-N 256.390 1.067 0 50 CDAA CCc1csc(CNC(=O)CCc2cn[nH]c2)n1 823541839 AAGFUNCVCYCCAJ-UHFFFAOYSA-N 264.354 1.678 0 50 CDAA CN1CCCC[C@H]1CNC1CSCCSC1 823778031 ZUHKLOVPWFNHNS-LBPRGKRZSA-N 260.472 1.909 0 50 CDAA CCc1c(C(=O)N[C@@H]2C[C@@H](CN)C2(C)C)ccn1C 2325799938 AIISMDGORPIWBW-GXFFZTMASA-N 263.385 1.691 0 50 CDAA Cc1coc(C)c1/C=C/C(=O)N[C@@H](c1nn[nH]n1)C1CC1 2325806894 MXWJFROTCFJBOL-URWSZGRFSA-N 287.323 1.690 0 50 CDAA Cn1nccc1C1CN(C(=O)c2cc3ccccn3c2)C1 2325810630 VGKSGNBCAMMSDI-UHFFFAOYSA-N 280.331 1.912 0 50 CDAA CCCNC(=O)[C@@H](CC)NC(=O)C(=O)C1CCCCC1 2325811305 NLAYAXYXGLAREY-GFCCVEGCSA-N 282.384 1.557 0 50 CDAA O=C(c1coc(O)n1)N1CCCCC[C@@H]1c1ncon1 2325821572 ZJLYLDYLYGWHJL-SECBINFHSA-N 278.268 1.521 0 50 CDAA Cn1nccc1-c1ccnc(N2CCOC[C@H]2CF)n1 2325890759 LDSDAMVLAJSHEM-SNVBAGLBSA-N 277.303 1.052 0 50 CDAA CC(C)OC(=O)Cc1c(O)[nH]c2ccccc2c1=O 289907 MCHXSPJPVQMDRO-UHFFFAOYSA-N 261.277 1.728 0 50 CDAA biogenic COc1ccc(NC(=O)c2nc3ncccn3n2)c(OC)c1 339032 VULIJEJECYIMRP-UHFFFAOYSA-N 299.290 1.394 0 50 CDAA CCOc1ccc(C(=O)CCN(C)CC(=O)O)cc1 2009245 FEYOBQVNOKRRGW-UHFFFAOYSA-N 265.309 1.675 0 50 CDAA COc1cccc(OC)c1OCCCCNCCO 2931536 QCGCHLRWZUXBCK-UHFFFAOYSA-N 269.341 1.445 0 50 CDAA c1cc(-c2cnc3c(N4CCOCC4)nccn23)ccn1 2356139880 LAWPSILOGRHIMN-UHFFFAOYSA-N 281.319 1.628 0 50 CDAA CCn1ccnc1CN1CCC[C@@]12CCCN(C)C2=O 2356141698 LZMPYRRQCDXJQG-OAHLLOKOSA-N 276.384 1.490 0 50 CDAA CCOCc1nnc(NC(=O)c2ccco2)s1 2734904 ZKVRULACOMHFJB-UHFFFAOYSA-N 253.283 1.920 0 50 CDAA CCOC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O 2866419 JAMQXUBNNUHORV-UHFFFAOYSA-N 299.348 1.218 0 50 CDAA Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)O)c1C 4204345 LJXLBOZCWFCYKY-UHFFFAOYSA-N 285.365 1.673 0 50 CDAA CC(C)C[C@@](CO)(NC(=O)c1ccccc1)C(=O)O 4283072 FKUCELLBHQAFFX-AWEZNQCLSA-N 265.309 1.278 0 50 CDAA COCc1nnc(NC(=O)c2ccccc2O)s1 6668509 BGUHNLPECPVPLO-UHFFFAOYSA-N 265.294 1.642 0 50 CDAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1 54253794 URZLJOAUDHHZJL-GFCCVEGCSA-N 296.754 1.916 0 50 CDAA COc1ccc(NC(=O)CCCC(=O)O)cc1OC 8191103 WCXWKSSQOZKMPU-UHFFFAOYSA-N 267.281 1.897 0 50 CDAA O=C(c1coc2ccccc12)N1CCn2cnnc2C1 113055463 OAIJUXNLXXDWIH-UHFFFAOYSA-N 268.276 1.680 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1CCCC[C@H]1Cn1cccn1 247707048 FTRHOVFPOKCKAD-HOTGVXAUSA-N 298.390 1.964 0 50 CDAA CC1(C)CC(NC(=O)/C=C/C(=O)O)CC(C)(C)N1[O] 104272568 RFYSWNMASLMSEC-AATRIKPKSA-N 269.321 1.111 0 50 CDAA NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 22920585 YDJUKXZGPAOCSN-UHFFFAOYSA-N 273.302 1.786 0 50 CDAA COC1([C@H](C)NC(=O)[C@H](C)CSC)CCOCC1 421754532 DPCZJCOQUZSWGO-MNOVXSKESA-N 275.414 1.686 0 50 CDAA O=C(Cc1ccncc1)N1CCCN2CCC[C@H]2C1 67975848 VPDWOSVPRWNPMB-AWEZNQCLSA-N 259.353 1.321 0 50 CDAA O=C(CNC(=O)c1cccc(F)c1)Nc1nccs1 67621011 QYUNNFOHPXKBDD-UHFFFAOYSA-N 279.296 1.651 0 50 CDAA Cc1cc([C@@H]2CCCN2c2cncc(OCCO)n2)no1 368723803 XINOFDNRSNYBKY-LBPRGKRZSA-N 290.323 1.486 0 50 CDAA Cc1nsc(NC(=O)N(C)Cc2cccnc2)n1 63846342 XBGSZMSSZGHMPF-UHFFFAOYSA-N 263.326 1.905 0 50 CDAA Cc1nc(CC(=O)N[C@@H](C)CCn2cccn2)cs1 65422922 TZIKLHYTLDDNBA-JTQLQIEISA-N 278.381 1.786 0 50 CDAA COc1cccc2ncn(CC(C)(C)CO)c(=O)c12 32598433 QNCXAKJWIPKLIQ-UHFFFAOYSA-N 262.309 1.424 0 50 CDAA CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 15515 ULSDMUVEXKOYBU-ZDUSSCGKSA-N 287.363 1.923 0 50 CDAA biogenic,fda On1c(-c2ccccc2)nc2c1CCc1nonc1-2 61437 UIKXESOLHHQXEV-UHFFFAOYSA-N 254.249 1.936 0 50 CDAA CCn1cc(C(=O)NC(=S)Nc2cccc(O)c2)cn1 372433 WGTGFAJVLXAINF-UHFFFAOYSA-N 290.348 1.735 0 50 CDAA O[C@H](CN1CCC[C@@H](Cn2cncn2)C1)c1ccccc1 229476634 UVVVALLOXOWUIW-GDBMZVCRSA-N 286.379 1.724 0 50 CDAA CN1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 55008633 RHWUBFJXGWSUKV-HWKANZROSA-N 274.320 1.203 0 50 CDAA C[C@H](Cn1cccn1)n1cnc2c(F)cccc2c1=O 32558378 ODTOFCOKKAAXBQ-SNVBAGLBSA-N 272.283 1.993 0 50 CDAA Cc1nn(C)cc1NC(=O)c1ccc(-c2ncn[nH]2)cc1 185834548 TYFMEZXFGSPAFM-UHFFFAOYSA-N 282.307 1.766 0 50 CDAA O=C(O)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 368129456 QUXRXLCDTLODJG-SECBINFHSA-N 269.684 1.755 0 50 CDAA Cc1cc(C)n([C@H](C)c2nc([C@H]3CCOC3)no2)n1 120272300 CIBSEOKIOIMULJ-MNOVXSKESA-N 262.313 1.996 0 50 CDAA O=C1C[C@H](C(=O)N[C@@H]2CCCOC2)c2cc(F)ccc2N1 32593159 PCPAGVLDHIFADT-PWSUYJOCSA-N 292.310 1.547 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 151014038 AEZVNWYXZAELNW-ZDUSSCGKSA-N 284.363 1.696 0 50 CDAA O=C(NS(=O)(=O)c1ccccc1)[C@@H]1CCCCO1 121829673 VQHJTGULDCPPTA-NSHDSACASA-N 269.322 1.061 0 50 CDAA Cc1cccn2c(CN3CCC[C@@H](C(N)=O)C3)cnc12 155053449 UFJHFDQSPFEGHZ-GFCCVEGCSA-N 272.352 1.340 0 50 CDAA NC[C@H]1CCCCN1Cc1cn(-c2ccccc2)nn1 72152129 ALJISQYRRMXMDG-OAHLLOKOSA-N 271.368 1.581 0 50 CDAA Cc1nc2nc(C)c3c(=O)n(C[C@H]4CCCO4)ccc3n2n1 72119303 CUGIVTAMYLWPNB-LLVKDONJSA-N 299.334 1.235 0 50 CDAA Cc1ncc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)s1 328628214 GZKREFGZSVULHI-SECBINFHSA-N 293.352 1.271 0 50 CDAA O=C(COCCc1ccccc1)N1CCC[C@](F)(CO)C1 367862641 JHBMUXKTNBEKQA-MRXNPFEDSA-N 295.354 1.569 0 50 CDAA CCC[C@H](C(=O)O)N1CCN(CC(F)(F)F)CC1 216576691 PWDVIXVLAANBHM-SECBINFHSA-N 268.279 1.420 0 50 CDAA COc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)c1 330579706 PXGKMZWVNNGJJW-GJZGRUSLSA-N 292.379 1.339 0 50 CDAA CC[C@H]1COCCN1C(=O)c1ccc(Cn2cccn2)o1 77337465 LWWXBCLMVDIYNO-LBPRGKRZSA-N 289.335 1.775 0 50 CDAA Cc1ncoc1C(=O)N1CCC[C@@H](C)[C@H]1C(=O)O 235295921 JYMGYWYHDOYOTA-APPZFPTMSA-N 252.270 1.308 0 50 CDAA CC[C@H](C(=O)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1)n1cccn1 72130670 MWHBTZHUPGXEGA-XHJNMGKDSA-N 275.352 1.470 0 50 CDAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 71730597 PSMZVXXOBFIGKA-XTMURGSZSA-N 291.391 1.179 0 50 CDAA O=C(NCCSc1cnn[nH]1)[C@@H]1C[C@@H]2C=C[C@H]1C2 219403408 SNAZKTAMFYYQST-KXUCPTDWSA-N 264.354 1.225 0 50 CDAA CC(=O)N1CCC(NC(=O)N2CC3(CCC3)C[C@@H]2C)CC1 335722370 IGMIQRGZCCTLSN-LBPRGKRZSA-N 293.411 1.971 0 50 CDAA O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccn1C1CC1 184179094 MBGOLMTVTQBBOL-UHFFFAOYSA-N 296.330 1.923 0 50 CDAA COCc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)O)o1 263070960 UDRUGSYLNVBUGT-UFGOTCBOSA-N 293.319 1.751 0 50 CDAA COc1ccc(CNC(=O)N2CCCC[C@@H]2CN)cc1F 417087875 IJICRFSKMZLOCT-GFCCVEGCSA-N 295.358 1.857 0 50 CDAA C[C@@H](C(=O)N1CC[C@H](C(=O)O)C1)c1cccs1 237458291 HVLSCMOLLYHXEJ-BDAKNGLRSA-N 253.323 1.785 0 50 CDAA CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1ccoc1 285258937 VDVACAXEWQOPPS-QMMMGPOBSA-N 261.299 1.153 0 50 CDAA CCNC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 44791131 QAQYBPAVKCPHOD-UHFFFAOYSA-N 271.361 1.705 0 50 CDAA O=C(Nc1nccs1)N1CC[C@]2(CCOC2)C1 336409964 QYFIYBRASPCZEZ-NSHDSACASA-N 253.327 1.787 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)cc2)C1 178980455 FLBRRZCOFKONDJ-ZDUSSCGKSA-N 284.363 1.554 0 50 CDAA Cc1nnc(CN2CC[C@@]3(CCCN(C)C3)C2)n1C1CC1 339434352 JFMFERFGNFEWNH-MRXNPFEDSA-N 289.427 1.839 0 50 CDAA NCCCN(CCN1CCOCC1)Cc1cccs1 45796282 VRRNYYRTPULFLD-UHFFFAOYSA-N 283.441 1.231 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1ccc2ncsc2c1 178498199 PUTVAYRKXNKFEM-SECBINFHSA-N 261.350 1.730 0 50 CDAA Cc1ccccc1-n1ncc(C(=O)N2CC[C@H](CN)C2)c1C 178527807 QTTFKGLCWMDSIK-CQSZACIVSA-N 298.390 1.910 0 50 CDAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H](CN)C1 178559761 ZRDYPROLBUODCQ-CQSZACIVSA-N 292.427 1.506 0 50 CDAA C[C@@H](C(=O)NCc1ccon1)n1cnc2ccccc2c1=O 426438559 IBTAKTXIWKFQBU-JTQLQIEISA-N 298.302 1.262 0 50 CDAA COc1ccnc(CNC(=O)COc2cccnc2)c1 221403147 XMBOGCWAKHWXIS-UHFFFAOYSA-N 273.292 1.180 0 50 CDAA CC1=NO[C@H](C(=O)NCCOc2cccc(C(=O)O)c2)C1 426548796 OGPMDXLEBBQIOR-LBPRGKRZSA-N 292.291 1.045 0 50 CDAA CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[C@H]1CCNC1 179125902 YRDHOFBTDRPKKO-MVWJERBFSA-N 280.318 1.889 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)N1CCC(c2ncon2)CC1 426545468 TYCOBVXVONVJOG-JTQLQIEISA-N 289.339 1.542 0 50 CDAA COC(=O)NC[C@@H]1COc2c(cccc2OC)C1 95388573 WJKNIRCBCXEINF-SECBINFHSA-N 251.282 1.602 0 50 CDAA Cc1cccc([C@@H](NC(=O)CCC(=O)O)C2CC2)n1 426444727 VXAQVHORVIAUKE-AWEZNQCLSA-N 262.309 1.822 0 50 CDAA CC(C)c1cc(C(=O)NC[C@@H](O)c2ccco2)n(C)n1 91656848 WXRJOEDTAQTAKM-GFCCVEGCSA-N 277.324 1.600 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)C1Cc2ccccc2C1 145721215 HFOSBYNKVJBXFS-ZDUSSCGKSA-N 259.305 1.477 0 50 CDAA CCN1C[C@@H](C(=O)NCCCc2ccc(F)cc2)CC1=O 91656024 RQUJDESPCNWMHU-ZDUSSCGKSA-N 292.354 1.743 0 50 CDAA O=C(c1nc(O)c2ccccc2n1)N1CCc2nc[nH]c2C1 95371686 INOLTKPMJDKBHV-UHFFFAOYSA-N 295.302 1.257 0 50 CDAA Cc1[nH]nc(CN2CCC(O)(CN(C)C)CC2)c1Cl 97475661 CEJBIMGTSILBQW-UHFFFAOYSA-N 286.807 1.260 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239403083 RMGIGDUVERBGPU-LQHIQZRBSA-N 299.326 1.618 0 50 CDAA Cn1cc(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)c2ccccc21 96130665 FYHXPJMUYAAENZ-HOCLYGCPSA-N 288.347 1.136 0 50 CDAA O=C1[C@@H]2[C@H]3C[C@H]4[C@H](O[C@H]([C@H]42)N1C1CCCCC1)[C@@H]3O 238899583 GSSIEAAMBSWSJS-ILPJJEITSA-N 263.337 1.129 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)NCC1(C)CCNCC1 181281441 VLDDIUHDQOJHCQ-ZDUSSCGKSA-N 276.380 1.960 0 50 CDAA CCCc1nnc(N2CCN(CC3CC3)CC2)o1 95372454 BBMVXFVSVLANNL-UHFFFAOYSA-N 250.346 1.554 0 50 CDAA Cc1ccc(NCCCNc2cc(C)nc(N)n2)nc1 91745240 DXRNPJNZFXAIHI-UHFFFAOYSA-N 272.356 1.985 0 50 CDAA Cc1c[nH]c(C(=O)N2CCCN(C3CCCC3)CC2)n1 244866540 VXYNQZXVPGIZDX-UHFFFAOYSA-N 276.384 1.809 0 50 CDAA Cc1ccc(CNC(=O)CCN(C)Cc2cnccn2)cc1 244575007 CVBNKBFNWFUKBY-UHFFFAOYSA-N 298.390 1.923 0 50 CDAA Br[C@@]12[C@H]3[C@@H]4[C@H]5[C@H]3[C@@H]1[C@@H]([C@@H]42)C51OCCO1 254740538 UXIMUUDQGPJUPI-QRSKNPGTSA-N 255.111 1.245 0 50 CDAA O=C([C@H]1C=CCN1)N1CCC(Oc2ccccc2F)CC1 534579706 RCBGKNIMVMTHMD-CQSZACIVSA-N 290.338 1.724 0 50 CDAA CCC[C@@H](CNC(=O)c1ccc(O)c(F)c1)N(C)C 534641464 VAFOAITXVSSQPX-NSHDSACASA-N 268.332 1.991 0 50 CDAA COCC(=O)Nc1cnn(-c2cccc(C(=O)O)c2)c1 299786373 SURVHWNDJVCNKE-UHFFFAOYSA-N 275.264 1.155 0 50 CDAA COc1c(F)cc(CO)cc1I 575705570 ODWBGJOFUKEHHV-UHFFFAOYSA-N 282.052 1.931 0 50 CDAA C[C@H](C(=O)N1CCN(CC(F)(F)F)CC1)n1cccc1 820621495 NJQONRGBQAIBJC-LLVKDONJSA-N 289.301 1.756 0 50 CDAA CCN(C(=O)c1cnc(C)nc1C)[C@@H](C)C(=O)O 663123302 BJLVQFYVOYFHLJ-QMMMGPOBSA-N 251.286 1.029 0 50 CDAA CCn1cnnc1[C@H](C)NC(=O)c1nn(C)cc1Cl 584898260 BYMVGLQGOXWZHK-ZETCQYMHSA-N 282.735 1.176 0 50 CDAA CN(C)C1(CNC(=O)c2cnc(O)[nH]2)CCCCC1 584891458 BEJBBUHIUAFXPA-UHFFFAOYSA-N 266.345 1.110 0 50 CDAA CCCN1CC[C@H](NC(=O)N(CC)CCn2cccn2)C1 670471421 RULJBCOFEHEAOH-AWEZNQCLSA-N 293.415 1.399 0 50 CDAA COc1ccccc1O[C@H](C)CNC(=O)[C@@H](C)CC(=O)O 585134387 QGOFPVIJGGRNDV-WDEREUQCSA-N 295.335 1.690 0 50 CDAA CN(CCC1(O)CCCC1)C(=O)Cc1ccccn1 584902726 IBMKVXPGBCRVRU-UHFFFAOYSA-N 262.353 1.778 0 50 CDAA CN1Cc2ccccc2C[C@@H]1c1ncnn1CCCO 670457935 DZYJVIJJKSAJFN-CQSZACIVSA-N 272.352 1.390 0 50 CDAA CCc1c(C(=O)N[C@H](C)c2nc[nH]n2)cnn1C(C)(C)C 267772831 TXDXYYDRXVOTQQ-SECBINFHSA-N 290.371 1.810 0 50 CDAA CN=c1[nH]nc(SC[C@@H]2CCCC[C@H]2O)s1 385247264 FVSCTNMMUYQWOQ-JGVFFNPUSA-N 259.400 1.645 0 50 CDAA Cc1noc(C)c1C(=O)N1CC[C@@H]([C@@H](F)C(=O)O)C1 1548600329 WNNNYINDKXBPJY-PSASIEDQSA-N 270.260 1.176 0 50 CDAA COc1c(C)[nH]cc(CN(C)c2nnc(C)c(C)n2)c1=O 1548451621 BSMHIKZADIWCFR-UHFFFAOYSA-N 289.339 1.130 0 50 CDAA CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H]1c1ccccc1 67514369 DOTREAYMVMNDOX-NEPJUHHUSA-N 267.350 1.093 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@](C)(OC)c1ccccc1F 1875273135 AVOKUQMBRLJHCH-PPYMECGQSA-N 295.310 1.533 0 50 CDAA O=C(O)C[C@@H]1CCN(S(=O)(=O)C2CC2)C2(CC2)C1 1875281198 VCNHBNNSSMKRAT-VIFPVBQESA-N 273.354 1.198 0 50 CDAA C[C@H]1Cc2c(C(=O)N[C@@H](C)C3CC3)n[nH]c2[C@@H](C)O1 1875293812 DAVBPXZKSVGAFZ-XHNCKOQMSA-N 263.341 1.960 0 50 CDAA c1cc2c(nc1Cn1cnc(C3CCC3)n1)OCCO2 1875328388 PDMKRTQYDZHGRM-UHFFFAOYSA-N 272.308 1.760 0 50 CDAA O=C(O)C1(C2=CCN(C(=O)[C@@]34C[C@@H]3[C@H](O)C4)CC2)CCC1 1875313496 OCRNTHUFQLZHSE-XHBSWPGZSA-N 291.347 1.171 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)C12CSC(C1)C2 1875311474 ZZFYINPTDRUTHU-HRNDTWFRSA-N 267.350 1.107 0 50 CDAA O=C(Nc1ccc2nc(S)oc2c1)C1=COCCO1 163655144 DYCBOGNHMHYEFE-UHFFFAOYSA-N 278.289 1.943 0 50 CDAA COCC[C@H](C)N[C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 886066079 YJJWRDIEIYTVFZ-DLOVCJGASA-N 296.333 1.943 0 50 CDAA CCN(C(=O)c1cn(C)nc1C1CCOCC1)[C@H](C)CO 886078495 XTMIVNNVAGWZQT-LLVKDONJSA-N 295.383 1.157 0 50 CDAA C[C@H](C(=O)Nc1cccnc1-n1cccn1)[C@@H](C)N 134155757 CTYNKHPWASYVRM-VHSXEESVSA-N 259.313 1.189 0 50 CDAA Cc1ncccc1Cc1noc([C@H]2CCCc3nn[nH]c32)n1 1775988024 WSUPXCOADLPENH-NSHDSACASA-N 296.334 1.950 0 50 CDAA COC[C@H]1[C@H](NC(=O)c2cc(C)nc(C)c2)[C@H]2CCO[C@H]21 1565507177 BFNDRTZUZGAWSB-LXTVHRRPSA-N 290.363 1.478 0 50 CDAA COC1(C(=O)NS(=O)(=O)c2ccsc2)CCCC1 408484449 NQIAPAFYGXFYGF-UHFFFAOYSA-N 289.378 1.512 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccon1 275327211 JRDOWOOPGHEYQL-ONGXEEELSA-N 276.296 1.151 0 50 CDAA NC(=O)CC(=O)NC12CCC(C(F)(F)F)(CC1)CC2 517815476 VOGLXOMMHONURT-UHFFFAOYSA-N 278.274 1.633 0 50 CDAA O=C(O)C[C@H](NC(=O)c1cscn1)C(F)(F)F 829367122 HOLONVCPCAVACW-YFKPBYRVSA-N 268.216 1.279 0 50 CDAA CCc1occc1C(=O)NC1(c2nc[nH]n2)CCC1 684756963 MZQPWNGSRSSUJP-UHFFFAOYSA-N 260.297 1.769 0 50 CDAA c1nc(N2CC[C@@H]3NCCC[C@@H]3C2)c2cc[nH]c2n1 705181408 DAMVQJYZXDEWPF-PWSUYJOCSA-N 257.341 1.536 0 50 CDAA O=C(Cc1ccn[nH]1)N1CCC(c2ccncc2)CC1 192295614 OCCGYHMEGWPSAN-UHFFFAOYSA-N 270.336 1.753 0 50 CDAA C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)C(=O)O 195542150 SSMCNUGKNFSYFI-ZCFIWIBFSA-N 251.213 1.775 0 50 CDAA CC[C@H](C)C[C@H]1NC(=O)N([C@@H](C)Cn2cccn2)C1=O 570803390 QMTNOTXIMMKWMS-SDDRHHMPSA-N 278.356 1.628 0 50 CDAA Nc1nc(CNCc2cnc(-c3ccccn3)nc2)cs1 1506420485 FPYSTPYPWQREIV-UHFFFAOYSA-N 298.375 1.867 0 50 CDAA CCC(CC)n1nccc1NC(=O)CNC(C)=O 1506417269 MCLXCUPITSRCCF-UHFFFAOYSA-N 252.318 1.319 0 50 CDAA CN1C[C@H](n2ccnc2-c2cccc(O)c2)CC1=O 1857732573 WLYJUPRZDAQHFF-LLVKDONJSA-N 257.293 1.659 0 50 CDAA CCn1ccc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)n1 1704300099 UGKPYGMLXVAIOL-HNNXBMFYSA-N 293.411 1.799 0 50 CDAA OCc1ccc(I)c(O)c1 12370880 VIWWSAGABDIIFF-UHFFFAOYSA-N 250.035 1.489 0 50 CDAA in-vitro CNS(=O)(=O)c1ccc(C)c(Br)c1 15021234 JZHJHHUAXBVHSH-UHFFFAOYSA-N 264.144 1.666 0 50 CDAA in-vitro CC(C)[C@H](c1nc(C2CC2)no1)N1CCCS1(=O)=O 124268751 ZLMXHAAUNGGVAD-SNVBAGLBSA-N 285.369 1.680 0 50 CDAA COC(=O)COc1ccc(I)cc1 6701324 PPKVJSVJTVHTOY-UHFFFAOYSA-N 292.072 1.843 0 50 CDAA in-vitro COC[C@@H]1CCCCN1c1ncnc2c1cnn2C 649556622 VMZROGZTPSODEJ-JTQLQIEISA-N 261.329 1.369 0 50 CDAA NCCCNC(=O)CCCOc1ccccc1Cl 238068546 NMIPIDUZWGRWNI-UHFFFAOYSA-N 270.760 1.964 0 50 CDAA COc1cc(C(=O)N2CC(C(C)(C)C)C2)nn1C 335108761 FGBSBRXYTSBWNJ-UHFFFAOYSA-N 251.330 1.547 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)O)C2)o1 136136957 VUNXHOHCAMZKOM-JTQLQIEISA-N 251.282 1.833 0 50 CDAA COC(=O)C[C@H](C)CNc1ccccc1CS(C)(=O)=O 585085412 IKGSMPCEMNHODK-NSHDSACASA-N 299.392 1.842 0 50 CDAA CC(C)[C@@H](NC(=O)O[C@H]1CCOC1)C(C)(C)C(=O)O 1616039560 RJGIVHHPJCMGHO-VHSXEESVSA-N 273.329 1.637 0 50 CDAA c1cnc(N[C@H]2CCN(Cc3cc4n(n3)CCC4)C2)nc1 1616043540 BDFDDIYAKFGLLK-LBPRGKRZSA-N 284.367 1.306 0 50 CDAA O=C(COC(=O)c1ccc(O)nn1)c1ccc(Cl)cc1 1848442384 ULLQUDIJCWOMGQ-UHFFFAOYSA-N 292.678 1.875 0 50 CDAA CCN(C)c1cc(NCc2cncn2CC)ncn1 1529171757 ASHXZKADORDYKJ-UHFFFAOYSA-N 260.345 1.761 0 50 CDAA CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ncccc2O)C1 249951993 IUXUSSDJEBKQQU-RYUDHWBXSA-N 275.352 1.344 0 50 CDAA CN1CCC2(CC1)CN(c1ncccc1C(=O)O)CCO2 1775982520 WNCSPPXYTPGDNQ-UHFFFAOYSA-N 291.351 1.081 0 50 CDAA CCCc1c(C(=O)NCCO)nnn1-c1ccc(C)cc1 12274654 UGIYVLCZXPDIJK-UHFFFAOYSA-N 288.351 1.250 0 50 CDAA CCN1CCC(NC(=O)c2ccc(OC)c(OC)c2)CC1 16602762 SXGZDLYQDGQFCX-UHFFFAOYSA-N 292.379 1.918 0 50 CDAA COCCCNS(=O)(=O)c1cc(C)c(OC)cc1C 16626280 XCOXCACJXIPUOB-UHFFFAOYSA-N 287.381 1.627 0 50 CDAA Fc1ccccc1OCCOCCN1CCOCC1 16663401 HPIWNWRHNQLXPA-UHFFFAOYSA-N 269.316 1.553 0 50 CDAA CN1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 19759829 ZRLAKDQKFWWAAZ-HOTGVXAUSA-N 285.347 1.852 0 50 CDAA COc1cnc(C)cc1C(=O)NCc1cn2ccncc2n1 1857670943 JDPBPGSAGPZEPH-UHFFFAOYSA-N 297.318 1.371 0 50 CDAA O=C(CN1CCOc2ccccc2C1)N[C@H]1C=CCC1 1857685735 RJCLPGBGRKLIAM-AWEZNQCLSA-N 272.348 1.716 0 50 CDAA Cn1cccc(CN2CCc3[nH]nc(C4CC4)c3CC2)c1=O 1857700173 BEXAOUMRWXQORP-UHFFFAOYSA-N 298.390 1.587 0 50 CDAA CCC[C@H]1COC[C@H]2CN(c3ccnc(C)n3)CCN12 1857730439 PYVIUHGMKMTFBK-UONOGXRCSA-N 276.384 1.475 0 50 CDAA N[C@@H]1C[C@@H](C(=O)NCCCc2ccccc2F)CC[C@H]1O 1857737638 WJLDJEIDHCJQMF-NWANDNLSSA-N 294.370 1.363 0 50 CDAA Cc1nnc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)o1 121353577 TVMKEGUFIQOYGS-ZWNOBZJWSA-N 295.289 1.964 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2cccc3c2CCOC3)C1 639634260 JZMMBOLYQKVNHP-LSDHHAIUSA-N 277.364 1.341 0 50 CDAA C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@H]1CCC(=O)NC1 252517039 ZCCIVGOIPHAMHE-FRRDWIJNSA-N 282.384 1.224 0 50 CDAA Nc1nc(-c2cccc(OCC(=O)O)c2)cs1 20331052 KFLHENXIIHYTGX-UHFFFAOYSA-N 250.279 1.856 0 50 CDAA in-vitro C[C@H]1C[C@@H](NCc2nncn2-c2ccccc2)CCN1C 152621969 BNZSPDSGMKDABE-KBPBESRZSA-N 285.395 1.840 0 50 CDAA O=C(NCC1CC1)[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 263723712 BMOSVDIIYSDEJG-GFCCVEGCSA-N 299.378 1.701 0 50 CDAA Cc1nc2c([nH]1)CC[C@@H](C(=O)NCCOC1CCCC1)C2 162419996 KWDIHNDIVHTOIU-GFCCVEGCSA-N 291.395 1.898 0 50 CDAA O=S(=O)(NC[C@@H](O)C1CC1)c1cccc2ccncc12 914152846 LMCIBEXZFPZMSW-CYBMUJFWSA-N 292.360 1.284 0 50 CDAA Cc1cnc(C(=O)N2CCC[C@H](n3ccnn3)C2)c(C)c1 819640542 TVAAHCLURPIAIM-ZDUSSCGKSA-N 285.351 1.767 0 50 CDAA O=C(Nc1nnnn1C1CC1)[C@@H]1C[C@H]1c1ccco1 905846198 ULKRUUPEKCJLNC-RKDXNWHRSA-N 259.269 1.343 0 50 CDAA CCc1cc(O)nc(CN2CCC[C@H]2c2nc[nH]n2)n1 931139412 IISJKJQSLJXBOG-JTQLQIEISA-N 274.328 1.200 0 50 CDAA O=C(Cc1c(F)cccc1Cl)NC1(C(=O)O)CC1 203659950 WHKJOPPKSZMRQG-UHFFFAOYSA-N 271.675 1.755 0 50 CDAA CCc1ncnc(N[C@@H]2CCC[C@@H]2C(=O)O)c1F 234197270 BFOLORJUYSYKEZ-IONNQARKSA-N 253.277 1.843 0 50 CDAA O[C@]1(CN[C@@H]2CCN3CCC[C@@H]3C2)CCSC1 305377682 ZVIDZIHTESLOEZ-UPJWGTAASA-N 256.415 1.071 0 50 CDAA O=C1CCCN1CCN1CCO[C@H](C2CCCCC2)C1 349252532 USMSHINWDZOSAS-HNNXBMFYSA-N 280.412 1.890 0 50 CDAA Cc1csc([C@@H]2CN([C@@H]3CCCN=C3O)CCO2)n1 328614449 RCNMKFVULQGOOB-MNOVXSKESA-N 281.381 1.944 0 50 CDAA CS(=O)(=O)c1ccc(NCCCn2ccnn2)c(F)c1 336837966 MHKAYUIDFFLIKE-UHFFFAOYSA-N 298.343 1.323 0 50 CDAA COc1cc(C)ccc1C(=O)N1CC(O)(C(F)F)C1 579346038 XPCHVETZFHNNKQ-UHFFFAOYSA-N 271.263 1.456 0 50 CDAA COc1cccnc1NC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 832633347 SVTFVALTQHPSCB-NXEZZACHSA-N 278.308 1.920 0 50 CDAA Cc1nc(NCC(=O)NC2CC2)c2ccsc2n1 1153754495 FKMOVSOQDMZOQJ-UHFFFAOYSA-N 262.338 1.690 0 50 CDAA COc1cc2c(cc1-c1ccc(CN)cn1)OCO2 2100483740 KQQIPZHWKQZASC-UHFFFAOYSA-N 258.277 1.945 0 50 CDAA O=C(N=c1cc2n([nH]1)CCC2)c1cc2nc[nH]c2cc1F 2325786898 WFVDDFMHUKVASM-UHFFFAOYSA-N 285.282 1.519 0 50 CDAA C[C@H](CN)NC(=O)c1ccc(-c2cccc(CN)c2)cc1 2325869061 XTJPWECLWGGJKD-GFCCVEGCSA-N 283.375 1.889 0 50 CDAA CC(=O)N1C[C@H](c2ccccc2)[C@@](F)(C(=O)O)C1 872324216 COWVBPYPNDATOI-DGCLKSJQSA-N 251.257 1.425 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@@H]1CSc2ccccc21 900746760 DMUGIGLJCATGTN-GFCCVEGCSA-N 290.388 1.984 0 50 CDAA O=C(NCCc1ccc(F)cc1)N1CCOCC1 355169 ZFOCWCXCMCCWFD-UHFFFAOYSA-N 252.289 1.410 0 50 CDAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nncs1 433786 NJGLIHRBMPZTPK-RQJHMYQMSA-N 255.299 1.368 0 50 CDAA COc1ccc(C)cc1NC(=S)NN1CCOCC1 621459 TZCYBWRZLNEMLA-UHFFFAOYSA-N 281.381 1.537 0 50 CDAA Cc1cc(C(F)(F)F)cc(N2C[C@@H]3CNC(=O)[C@@H]3C2)n1 2356139558 SCGCPWKNYGSHCG-WCBMZHEXSA-N 285.269 1.591 0 50 CDAA COC[C@@H](c1ccccn1)N(C)Cc1ccn2ncnc2c1 2356161693 FUMZLLFYCQJYMF-HNNXBMFYSA-N 297.362 1.944 0 50 CDAA CC(=O)N1CCC(C(=O)NCc2ccccc2F)CC1 6731181 JFDCKQUUJSDORX-UHFFFAOYSA-N 278.327 1.700 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccco1 100642871 HCQDWAKIDFCJKE-XPXLGCRWSA-N 261.277 1.419 0 50 CDAA C[C@@H]1CN(C(=O)c2ncccc2O)C(C)(C)CO1 134030199 UFJLEQIVIFBPOA-SECBINFHSA-N 250.298 1.427 0 50 CDAA O=c1c2cnc3ncnn3c2ccn1Cc1ccccc1 9047534 KECMWIMPBIVDPJ-UHFFFAOYSA-N 277.287 1.488 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CC(=O)C(C)(C)C)C(=O)O 115623449 VKGFZGKYLCFHDH-MRVPVSSYSA-N 273.329 1.970 0 50 CDAA Cc1n[nH]c(C)c1CCc1nncn1-c1cccnc1 67804610 KTCVIPLPIIMKPE-UHFFFAOYSA-N 268.324 1.787 0 50 CDAA NC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)COC3)C1 420445817 GAFBLAYRLRAGIV-MFKMUULPSA-N 296.392 1.123 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 100149589 NQFMEKCHBQAPAY-WTTBSCSTSA-N 285.299 1.920 0 50 CDAA CCOC(=O)c1cn(C[C@@H](O)c2ccc(F)cc2)nn1 409444180 OWNIYANUKCXANR-GFCCVEGCSA-N 279.271 1.328 0 50 CDAA Cc1ccsc1CN(C)C(=O)[C@@H]1CN(C)CC[C@H]1O 20234498 GWNRKHMKZDKXMG-VXGBXAGGSA-N 282.409 1.328 0 50 CDAA CC[C@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 65363124 TYYLUMIZQPVOLO-JTQLQIEISA-N 298.408 1.919 0 50 CDAA Cc1cc(C(=O)N[C@H](CCO)C2CCOCC2)ccn1 331330652 HJMIPMHIZCTPLN-CQSZACIVSA-N 278.352 1.297 0 50 CDAA Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C 57302 CYFLXLSBHQBMFT-UHFFFAOYSA-N 267.310 1.674 0 50 CDAA biogenic,world COc1cc(F)ccc1S(=O)(=O)n1ccnc1C 297339 WHEFJWPMTBFKFV-UHFFFAOYSA-N 270.285 1.576 0 50 CDAA CCC[C@H](C)CN1CCO[C@@H](CN(C)CC(=N)O)C1 328654773 XULYPODCHFMBOY-STQMWFEESA-N 271.405 1.590 0 50 CDAA O=C(c1cnc2[nH]nnc2c1)N(C1CCC1)C1CCC1 329239187 QDSLEYDCKAXFFG-UHFFFAOYSA-N 271.324 1.900 0 50 CDAA CC(C)c1[nH]ncc1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 253394678 REJGDCJQRZTPRG-OLZOCXBDSA-N 292.383 1.078 0 50 CDAA NC(=O)[C@@H]1CCC[C@H](NC(=O)CCc2ccsc2)C1 172429109 UXBBIIHXIHKGEM-NEPJUHHUSA-N 280.393 1.841 0 50 CDAA Cc1cc(C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)c(C)o1 253425204 BIBPAWBODOOTKN-ATVHPVEESA-N 270.292 1.804 0 50 CDAA Cc1ccn(CCC(=O)N(C)CC[C@H]2CCCCO2)n1 215915978 WWEQSWZLGDOFLW-CQSZACIVSA-N 279.384 1.999 0 50 CDAA O=C([C@@H]1C[C@@H]1c1nc[nH]n1)N1Cc2ccccc2C1 359899674 OXUQHYFZOFXLQV-NWDGAFQWSA-N 254.293 1.451 0 50 CDAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1COC(=O)N1 71712277 WGTAOBSEISFBLQ-GFCCVEGCSA-N 291.282 1.374 0 50 CDAA O=C(NCCCN1CCCC1=O)c1[nH]nc2c1CCCC2 126660605 JVPHQAIFTUAOJK-UHFFFAOYSA-N 290.367 1.031 0 50 CDAA CC(C)(C)OC(=O)N1CCNC2(CCOCC2)C1 258069062 UQIKZILLESSZDT-UHFFFAOYSA-N 256.346 1.376 0 50 CDAA O[C@H](CC1CCCC1)CN1CCC(c2nc[nH]n2)CC1 365074264 YSLPDBBZQIJRFE-CQSZACIVSA-N 278.400 1.925 0 50 CDAA CC(C)c1cc(C(=O)N2CCN3CCC[C@H]3C2)nc(N)n1 216947905 IUQZNGHXYLZFEG-NSHDSACASA-N 289.383 1.102 0 50 CDAA CCO[C@H](C)c1nc(CC(=O)N2CC[C@@H](N)C2)cs1 236919080 UEXHHEZPTLMCBK-NXEZZACHSA-N 283.397 1.343 0 50 CDAA CN(C(=O)NC[C@@H]1CNCCOC1)c1ccccc1 72162346 CWKQPGUERURDHF-LBPRGKRZSA-N 263.341 1.068 0 50 CDAA CO[C@H](CNC(=O)[C@@H]1CC12CCNCC2)c1ccccc1 237197883 AVVCTSVOPMRPTA-LSDHHAIUSA-N 288.391 1.880 0 50 CDAA O=C(NCCCc1ccncc1)c1cccc(=O)[nH]1 215450870 JKCCQPDUAYTVTF-UHFFFAOYSA-N 257.293 1.133 0 50 CDAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2C(=O)O)c1 237303895 QVWUXEQNNBUQTK-MELADBBJSA-N 289.331 1.874 0 50 CDAA CCc1nc(N2C[C@H](C)O[C@H](C)C2)c2cnn(C)c2n1 72162618 ULLKKTGLZHBHDT-AOOOYVTPSA-N 275.356 1.539 0 50 CDAA CCSc1ncc(CN(C)Cc2ncc[nH]2)cn1 215792866 RCKYOTZFRUUHER-UHFFFAOYSA-N 263.370 1.944 0 50 CDAA O=C1C[C@@H](NC(=O)c2cncc(-c3ccccc3)c2)CN1 334583947 UOQUNURQKHKJEE-CQSZACIVSA-N 281.315 1.367 0 50 CDAA CCN1CCN(C(=O)[C@H](C)Oc2ccccc2OC)CC1 72137468 RKKZXZJYVWJWMR-ZDUSSCGKSA-N 292.379 1.627 0 50 CDAA COc1csc(C(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)c1 262803058 OCKBQKDZMFEUGY-KWQFWETISA-N 299.348 1.366 0 50 CDAA COc1ccc2c(c1)C[C@H](C(=O)N(C)[C@@H](C)C(=O)O)CO2 262892302 NXJLPEMUQRTZOK-ONGXEEELSA-N 293.319 1.178 0 50 CDAA O=C(Cc1ccccn1)N1CCC(O)(c2cccnc2)CC1 215456008 MFPXZLUYOMDDMS-UHFFFAOYSA-N 297.358 1.529 0 50 CDAA C[C@@H]1CC(=O)NCCN1C(=O)Cc1cnc2ccccc2c1 375533607 XTWBIFIVNBWNQR-GFCCVEGCSA-N 297.358 1.514 0 50 CDAA O=C([C@@H]1CCCOC1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 341193537 SVTKRVKZMHFROI-VNHYZAJKSA-N 265.353 1.583 0 50 CDAA Nc1nc(CC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1 217042471 XGLQFBQYFSTMBI-MNOVXSKESA-N 285.351 1.471 0 50 CDAA CC(C)(C)[C@@H](O)C[C@@H](CO)NCc1ccsc1 284204359 ZDKFDPMVXWPBPU-RYUDHWBXSA-N 257.399 1.996 0 50 CDAA COc1ccc(CN2C[C@H](OC)C[C@H]2c2ncn[nH]2)cn1 284495899 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269.264 1.636 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2c2ccnc(C(C)C)n2)n1 328613396 RXWLTYYFTHXFMY-GHMZBOCLSA-N 289.339 1.604 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N(C)CCOc2ccccc2)N(C)C1 343292324 FDRMJYWKJWLIQH-GJZGRUSLSA-N 292.379 1.243 0 50 CDAA Cc1ccc(N2CCC[C@H](Cc3noc(C)n3)C2)nn1 663513404 OLBSDBHMCJJGPN-GFCCVEGCSA-N 273.340 1.936 0 50 CDAA CN(C)c1ccc(CN2C[C@H](C(=O)O)[C@@H](C3CC3)C2)cn1 248130671 QERMSPBRKRDHSJ-KGLIPLIRSA-N 289.379 1.690 0 50 CDAA CCc1noc(C(=O)N[C@H]2COc3cc(F)ccc3C2)n1 902698690 RDJSKJCWOBUCJS-SNVBAGLBSA-N 291.282 1.505 0 50 CDAA Cn1nccc1CCC(=O)Nc1nccnc1C1CC1 906422142 XSTNRZZKLVXJRK-UHFFFAOYSA-N 271.324 1.659 0 50 CDAA CCc1nc(OC)ccc1NC(=O)[C@@H](C(=O)O)C(C)C 907898266 JGOLENDWROLAFM-LBPRGKRZSA-N 280.324 1.948 0 50 CDAA CC(C)C(=O)NCc1nc2ccc(C(=O)O)cc2[nH]1 911744846 KSZKIWDRAHGZES-UHFFFAOYSA-N 261.281 1.533 0 50 CDAA O=C(CN1CC[C@H](c2ccccn2)C1)Nc1cccnn1 930313870 HBWMXEMJTYEVLA-LBPRGKRZSA-N 283.335 1.300 0 50 CDAA O=C(N[C@@H]1[C@H]2COC[C@H]21)c1c[nH]cc1Cc1ccccc1 935761242 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CNC[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 178961142 IYXDKRUZFREMKA-NSHDSACASA-N 266.316 1.272 0 50 CDAA Cc1cc(CN2CCN(C[C@@H](O)C(F)(F)F)CC2)no1 185149248 BLSFATLMRRKPQL-LLVKDONJSA-N 293.289 1.024 0 50 CDAA CC[C@@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=N)s2)C1 426419664 CBGCFLHHKGQCHW-GFCCVEGCSA-N 283.353 1.273 0 50 CDAA CCCC[C@H](CC(=O)O)NC(=O)c1c(C)ncn1C 426487614 WDLOGXLXJWYDSP-SNVBAGLBSA-N 267.329 1.492 0 50 CDAA CC(C)(C)N1CC[C@H](NC(=O)c2c[nH]c(=N)s2)C1 584893986 NCXQBIZAYBZTSI-QMMMGPOBSA-N 268.386 1.158 0 50 CDAA FC1(F)CCCC[C@H]1CN=c1ccc2nnnn2[nH]1 390848155 HLGGWKZQGZAIBG-QMMMGPOBSA-N 268.271 1.179 0 50 CDAA CN1C(=O)N[C@@H]2CN(C(=O)c3ccoc3Cl)CC[C@@H]21 286232031 KMOGFYPFBYBBAN-BDAKNGLRSA-N 283.715 1.171 0 50 CDAA COc1cc(=O)n2c(c1C(=O)NC1CC1)CCCCC2 643253441 BPFYHLUAEKMOCM-UHFFFAOYSA-N 276.336 1.476 0 50 CDAA Cn1ccnc1[C@H]1N(C(=O)c2coc(O)n2)CC1(C)C 2325804394 KDXSINIHZGLNOA-SECBINFHSA-N 276.296 1.337 0 50 CDAA CCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 64582 YLCFLSPPBPMMJT-UHFFFAOYSA-N 295.364 1.246 0 50 CDAA O=C(O)C1CCN(C(=O)CCc2ccccc2)CC1 153512 WQOSVYASWDJHLK-UHFFFAOYSA-N 261.321 1.942 0 50 CDAA O=C1CN(C(=O)c2ccccc2C(=O)O)c2ccccc2N1 446486 GMQJVBLYQMGFFW-UHFFFAOYSA-N 296.282 1.984 0 50 CDAA C[C@@H]1C(=O)N(C)CCN1Cc1cc(C(C)(C)C)on1 351599156 CKSGYARHYWBGRX-SNVBAGLBSA-N 265.357 1.635 0 50 CDAA COc1ccc(OC)c(C(=S)N2CCOCC2)c1 2768430 ADHQUNYXOLRGJQ-UHFFFAOYSA-N 267.350 1.712 0 50 CDAA O=C(NC[C@@H]1CCCO1)C(=O)NC1CCCCCC1 2989758 PLWOYMTWFSRMCG-LBPRGKRZSA-N 268.357 1.121 0 50 CDAA CCc1nccn1CCC(=O)N1CCN(C2CC2)C[C@@H]1C 2356159424 ZYNJWTUJAOMXHV-ZDUSSCGKSA-N 290.411 1.531 0 50 CDAA O=C([C@@H]1C[C@@H]1C1CCC1)N1CCN(C2CC2)C(=O)C1 225452916 YFSBLEPLXBWLCL-CHWSQXEVSA-N 262.353 1.256 0 50 CDAA Cc1nn(CC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c(C)c1Cl 118716778 JWHWODBENTWWLZ-QWRGUYRKSA-N 297.786 1.668 0 50 CDAA CC[C@H](CO)N(Cc1ccccn1)Cc1ncc[nH]1 55109042 AVHNXMZIRBBWQM-CYBMUJFWSA-N 260.341 1.578 0 50 CDAA Cn1nncc1NC(=O)NC1(c2ccccc2F)CC1 225850146 KIQAIRDNTSWKLO-UHFFFAOYSA-N 275.287 1.765 0 50 CDAA COc1ccc(-c2ccnc3c2c(=O)n(C)c(=O)n3C)cc1 9225405 HEDYAJVOCRBDCB-UHFFFAOYSA-N 297.314 1.308 0 50 CDAA Cc1nc2nc(NC(=O)c3cccs3)nn2c(O)c1C 9202783 KELHRBAJZWDARS-UHFFFAOYSA-N 289.320 1.761 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cnoc1C 345804275 ISMVCIYHLQVTMP-QLFBSQMISA-N 280.368 1.999 0 50 CDAA COC(=O)[C@H](N[C@@H](C)[C@H]1CCCO1)c1cccnc1 248609221 PZFRRSMAUFGXTJ-CYZMBNFOSA-N 264.325 1.453 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCOC1 249693588 ODFDPLPWLPUJLF-MGPQQGTHSA-N 266.385 1.498 0 50 CDAA CCC[C@]1(C2CCNCC2)NC(=O)N(CCCCF)C1=O 67868650 GIQJMZVGZYLYJT-OAHLLOKOSA-N 299.390 1.826 0 50 CDAA COC(=O)c1nnn(Cc2ccc(OC)cc2)c1C 116107772 SOJORPVDHYEPCE-UHFFFAOYSA-N 261.281 1.430 0 50 CDAA Cc1ccn(-c2ccc(NS(=O)(=O)N(C)C)cc2)n1 252481860 CUAMBINEIZGQCW-UHFFFAOYSA-N 280.353 1.399 0 50 CDAA C[C@@H](Cc1cn(CCN2CCNC2=O)nn1)c1ccccc1 67725327 IUPZDRUCYLJSIL-ZDUSSCGKSA-N 299.378 1.650 0 50 CDAA Cc1cc(S(=O)(=O)NC[C@@H](C)O)c(C)cc1Cl 30768769 MLYKAFKVGDLBAR-SECBINFHSA-N 277.773 1.616 0 50 CDAA CN1CCN2CCN(C(=O)C/C=C/c3ccccc3)C[C@@H]2C1 65490870 XENJWNKWNLJGSA-JZLODUJNSA-N 299.418 1.548 0 50 CDAA CN(C)c1nc(=NCc2ncc(C(C)(C)C)s2)[nH][nH]1 331159892 WRIXAUUCWWXZKL-UHFFFAOYSA-N 280.401 1.659 0 50 CDAA COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2C(=O)C[C@H]1c1ccccc12 216237771 LOWFMEONNNEOOG-GHYVTOPFSA-N 288.299 1.419 0 50 CDAA O[C@@]12CCCC[C@@H]1CN(c1ncnc3nc[nH]c13)CC2 128345835 NQXVGOLUHWKTPK-QMTHXVAHSA-N 273.340 1.484 0 50 CDAA biogenic CO[C@@H]1C[C@H](c2nc(C)no2)N(CCCn2ccnc2)C1 328641874 YEDRRNQLRCJTRU-CHWSQXEVSA-N 291.355 1.427 0 50 CDAA Fc1ccccc1OC1CN(C[C@@H]2CCOC2)C1 216209209 CLUTXVLBXFOTDO-NSHDSACASA-N 251.301 1.925 0 50 CDAA Cc1[nH]nc2ncc(C(=O)N3CCOCC34CC4)cc12 328706253 POIWAIDSOLILSK-UHFFFAOYSA-N 272.308 1.271 0 50 CDAA O=C(C[C@H]1CNCCO1)N[C@H]1CCc2cc(Cl)ccc21 152647857 RVGMDMXCSVXOJZ-JSGCOSHPSA-N 294.782 1.822 0 50 CDAA CCCc1n[nH]c([C@H]2CN(C[C@H]3CCCCO3)CCO2)n1 257365913 BNCYOVHPFQZUPA-CHWSQXEVSA-N 294.399 1.700 0 50 CDAA O=C1C[C@@H](C(=O)Nc2ccc3ncsc3c2)CCN1 123841100 URHOGDPLXXLONZ-QMMMGPOBSA-N 275.333 1.761 0 50 CDAA CCc1ncc(S(=O)(=O)N2CCCCCO2)s1 329978790 IFTRTVXMEUQVHF-UHFFFAOYSA-N 276.383 1.812 0 50 CDAA CN(CCn1ccnc1)C(=O)CCN1CCCCCC1=O 219156510 YUBAOOFEVCEBCU-UHFFFAOYSA-N 292.383 1.134 0 50 CDAA O=C(NCCn1ncnn1)[C@H]1C[C@]12CCCc1ccccc12 332723039 IIGOWARDWZYDGF-ZBFHGGJFSA-N 297.362 1.084 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H](NC2COC2)C1 71792051 MVRZYWPCHJFVKP-JTQLQIEISA-N 256.346 1.374 0 50 CDAA CC(C)n1ccc(=NC(=O)N[C@@H](C)[C@H]2CCCCO2)[nH]1 333229875 GKPPJUOBJSOSOH-NWDGAFQWSA-N 280.372 1.965 0 50 CDAA NC[C@H](O)CC(=O)N1CCC(Cc2ccc(F)cc2)CC1 77453561 NBASUJHSFUYIER-OAHLLOKOSA-N 294.370 1.317 0 50 CDAA Cc1ccc2c(=O)n(CCc3nncn3C)cnc2c1C 32573404 QHNZWSDNQOSSLN-UHFFFAOYSA-N 283.335 1.385 0 50 CDAA CCn1ccnc1[C@@H](C)NC(=O)N1CCOC[C@@H]1C1CC1 334096865 SNQBXKXRGCYTNP-DGCLKSJQSA-N 292.383 1.784 0 50 CDAA O=C(Cc1cccnc1)N[C@@H]1CCOC2(CCOCC2)C1 215646781 NNGOCDMFAYVZQM-CQSZACIVSA-N 290.363 1.469 0 50 CDAA CS(=O)(=O)N1CCC(=O)C[C@H]1c1ccccc1 521394482 SZEWJXZEYVQWKO-LBPRGKRZSA-N 253.323 1.352 0 50 CDAA C[C@H]1CN(CCC2CCOCC2)CC[S@](=O)C1 334709926 CWTYVYHRCOHBGA-SJCJKPOMSA-N 259.415 1.504 0 50 CDAA O=C(O)c1cccc(C(=O)NN2CCCCC2=O)c1 238130333 XYVJZZNPUPDKLI-UHFFFAOYSA-N 262.265 1.042 0 50 CDAA CC1=C(C)C[C@@H](C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 335361265 XGTHUBUGMQWJJA-STQMWFEESA-N 285.409 1.816 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 131903594 PSGHZDRHNBYWDR-CFVMTHIKSA-N 275.396 1.142 0 50 CDAA CN(C)[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)C1CC1 339029293 MKKWQFMEEQFGRA-GFCCVEGCSA-N 278.400 1.777 0 50 CDAA Cc1nnsc1CN(C)Cc1cnc(N(C)C)nc1 220584436 AFMOPDHMXIUWQF-UHFFFAOYSA-N 278.385 1.335 0 50 CDAA COc1cc(CONC(=N)C(C)(C)NC(C)=O)sn1 824857028 PUSBUWWWVPLMCG-UHFFFAOYSA-N 286.357 1.065 0 50 CDAA CCO[C@H](C)CN(C)C(=O)c1cc(=O)cc(C)[nH]1 426477740 MVISKVMYLVDSDU-SNVBAGLBSA-N 252.314 1.180 0 50 CDAA COc1ncccc1C(=O)N1C[C@H](C(=O)O)c2ccccc21 177472966 RARJITNHGRQLDO-LBPRGKRZSA-N 298.298 1.919 0 50 CDAA CCN(Cc1noc(C)n1)C(=O)[C@H](C)n1ccnc1C 426393098 XKECCMZQNZVYGY-VIFPVBQESA-N 277.328 1.493 0 50 CDAA NC[C@H]1CCN(C(=O)COc2ccccc2Cl)C1 178555837 SXDXRCSLGUSJHY-SNVBAGLBSA-N 268.744 1.526 0 50 CDAA O=C([C@H]1CCCO1)N1CCC(CCn2cccn2)CC1 82097876 FOKNQYMWJIUSMM-CQSZACIVSA-N 277.368 1.691 0 50 CDAA C[C@]1(CNC(=O)c2ccn([C@@H]3CCCNC3)n2)CCCO1 328621945 IBVBHVXHNMZYRI-IUODEOHRSA-N 292.383 1.107 0 50 CDAA CSCc1noc(CNC(=O)Cc2cc(C)no2)n1 222366558 YNKXSCWZCPNATI-UHFFFAOYSA-N 282.325 1.088 0 50 CDAA Cc1n[nH]c([C@@H]2CCCN2Cc2cccc3nonc23)n1 97814984 XXMBJRULMXCCFF-LBPRGKRZSA-N 284.323 1.986 0 50 CDAA Nc1cc(I)c(O)cc1F 143990250 FGDQVCVMCXYMPD-UHFFFAOYSA-N 253.014 1.718 0 50 CDAA COCC(C)(C)N(C)C(=O)[C@@H](C)Oc1cccnc1 293880356 FPAWDBOSBKFJFM-LLVKDONJSA-N 266.341 1.732 0 50 CDAA CN(C)c1ccnc(C(=O)N2CC[C@@H](O)C23CCCC3)c1 294080198 ICZBJKUAUWPZIB-CQSZACIVSA-N 289.379 1.667 0 50 CDAA CSCC[C@H](O)c1nc(-c2ccncc2)nn1CCO 96138485 RCTFRTKJQHAFJG-NSHDSACASA-N 294.380 1.119 0 50 CDAA O=C([C@H]1CCOC1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 247858256 LOZXHTUFSYCBOU-AJNGGQMLSA-N 278.396 1.356 0 50 CDAA COc1ccnc(N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)n1 244659760 HIGMWRDRYCTYON-SUZMYJTESA-N 289.339 1.143 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cccc2cn[nH]c12 299748335 GYTVBVIRLSANKK-ZWNOBZJWSA-N 272.352 1.905 0 50 CDAA CS(=O)(=O)Nc1ccc([C@@H]2CCCCN2)cc1 258710967 RUPZEAYWIIWCGS-LBPRGKRZSA-N 254.355 1.873 0 50 CDAA CCCCS(=O)(=O)N[C@@H](c1nccn1C)C(C)C 534587793 MOSOXBOBGDMXCS-LLVKDONJSA-N 273.402 1.837 0 50 CDAA CCC[C@H]1C=CCN1Cc1cnc(NCC(=O)O)nc1 534590777 VQQYQHNFXNKFKK-LBPRGKRZSA-N 276.340 1.514 0 50 CDAA O=C(NCC1(Cn2ccnc2)CC1)c1cncc(F)c1 534664006 ULQLPLPBDNRWJN-UHFFFAOYSA-N 274.299 1.627 0 50 CDAA O=S(=O)(Cc1ccccc1Cl)NC[C@@H]1CCCN1 440358035 SGZBOBHCUUJEKZ-NSHDSACASA-N 288.800 1.511 0 50 CDAA c1cnc2c(OCCN[C@@H]3CCOC3)cccc2c1 534652941 HOPPVQRBQZKNST-CYBMUJFWSA-N 258.321 1.992 0 50 CDAA CCn1nc(C)c([C@@H](C)NC(=O)c2ncc[nH]2)c1C 823593421 PAMDNYLKGAPLKP-MRVPVSSYSA-N 261.329 1.734 0 50 CDAA COc1cccc2ncn([C@@H]3COCC[C@H]3OC)c(=O)c12 584884332 JNYVCDXXNIOYKX-VXGBXAGGSA-N 290.319 1.382 0 50 CDAA O=C(C[C@H]1CCOC1)N1CCN(CC2CCC2)CC1 584888574 UFMTVUHIFAXDEW-CQSZACIVSA-N 266.385 1.357 0 50 CDAA NCCNC(=O)NCCSCc1cccc(Cl)c1 670462588 ORBWGJSPFWHKNF-UHFFFAOYSA-N 287.816 1.831 0 50 CDAA COc1cc(C(=O)N2CC[C@](OC)(C(=O)O)C2)ccc1C 630248192 GHEOYKRJWBMKIY-OAHLLOKOSA-N 293.319 1.319 0 50 CDAA Cc1ncc(C(=O)N(CCC(=O)O)Cc2ccccc2)[nH]1 630096751 QBEUNZIOGUBGRB-UHFFFAOYSA-N 287.319 1.835 0 50 CDAA O=C(/C=C/c1ccccc1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 852953644 ASYNAYXCWDXLGF-GTKVBAFNSA-N 287.315 1.259 0 50 CDAA COc1ccccc1-c1noc([C@@]2(C)CCN(C)C2=O)n1 874435022 JOQFFIUEDQBUIF-OAHLLOKOSA-N 287.319 1.865 0 50 CDAA CN1CCC(NC(=O)CN2C[C@@H]3CCCC[C@@H]32)CC1 878850129 UBLWRHJPEDLPPY-JSGCOSHPSA-N 265.401 1.071 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)N[C@@H]1C[C@H]2CC[C@@H]1O2 1875267676 YSBZGVGMJSCIJK-HLTSFMKQSA-N 280.353 1.279 0 50 CDAA Cc1nc(NC(=O)NCCc2ncccn2)oc1C 1875291375 WYKZRAYENYEVIX-UHFFFAOYSA-N 261.285 1.446 0 50 CDAA 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ABBXVVOFJJINOW-UHFFFAOYSA-N 271.294 1.385 0 50 CDAA O=C(CCc1ccc(O)nc1)N1CCCN2CCC[C@H]2C1 1776002549 DYBURVBVDSZDEI-AWEZNQCLSA-N 289.379 1.417 0 50 CDAA Cc1ccc(Cn2cc(CN3CCC(O)CC3)nn2)o1 899703441 CMEJNOHUQOCHQN-UHFFFAOYSA-N 276.340 1.185 0 50 CDAA CCC(=O)N1CC[C@H](Nc2ncnc(CC)c2F)C1 271113687 QJZYILLTIRVIBE-VIFPVBQESA-N 266.320 1.601 0 50 CDAA CN(C[C@H]1CCCC[C@H]1O)c1ccc2nncn2n1 408454327 AYDSMVDEFGSZQT-GHMZBOCLSA-N 261.329 1.112 0 50 CDAA CCOc1cccc(Cl)c1Cn1cnn(C)c1=O 408523479 RYFWDZUPBRNJNR-UHFFFAOYSA-N 267.716 1.682 0 50 CDAA CC(C)C[C@H](CN)CC(=O)OCCOCC(F)F 408525726 WZLNEDUWLCWSDE-JTQLQIEISA-N 267.316 1.822 0 50 CDAA NC(=O)[C@@H]1CCCN(CCCNC[C@@H]2CC=CCC2)C1 221674011 QJSOXSHNSHSUPT-HUUCEWRRSA-N 279.428 1.520 0 50 CDAA Cn1cc(CCC(=O)N(C[C@H]2CCCN2)C2CC2)cn1 186550418 MUZFBIGYNMPTMO-CYBMUJFWSA-N 276.384 1.096 0 50 CDAA Cc1cc(C(=O)NCCC(=O)O)c(C)n1-c1nccs1 170044029 VJCAYEBHRKNOHV-UHFFFAOYSA-N 293.348 1.755 0 50 CDAA c1coc(-c2nnc(CN3CC[C@H](N4CCCC4)C3)o2)c1 170712662 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COc1cnc(C(=O)N[C@H]2C[C@H](N)C23CCC3)c(F)c1 1649141357 CMHDIMDVYCBXCK-QWRGUYRKSA-N 279.315 1.229 0 50 CDAA CC(=O)N[C@@H](CC(C)C)C(=O)OCc1ccnc(O)c1 1649984628 DWESFXCGPUOGBM-LBPRGKRZSA-N 280.324 1.381 0 50 CDAA OC[C@H](CCc1ccccc1)NC[C@H](O)C1(O)CCCC1 905536828 KBRFLZDNRAHSDB-HOTGVXAUSA-N 293.407 1.236 0 50 CDAA O=C(NC[C@H](O)c1cnc[nH]1)[C@@H]1C[C@H]1C1CCCCC1 1875270143 WIOGRWUFUQXXME-SCRDCRAPSA-N 277.368 1.776 0 50 CDAA CSc1ccc(CN2C[C@@H](CO)[C@H](CO)C2)cc1 216541740 VZNPBKNWFZKJLU-STQMWFEESA-N 267.394 1.441 0 50 CDAA CC[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@@H](C)O1 155634478 KOLLWJIWPLKVQT-YUELXQCFSA-N 276.380 1.582 0 50 CDAA CCc1ccccc1C(=O)N1CC[C@@](OC)(C(=O)O)C1 630254126 MRXYBNWYJSEECD-HNNXBMFYSA-N 277.320 1.565 0 50 CDAA CN(C[C@H]1CCCCN1C)C(=O)c1csc(=N)[nH]1 584894128 MNIGQIHWIAOUPR-SECBINFHSA-N 268.386 1.112 0 50 CDAA Cc1nnc(CNC[C@@H](O)c2c(F)cccc2F)s1 392091548 IEZNKOVHNWDJAK-SNVBAGLBSA-N 285.319 1.948 0 50 CDAA CN(Cc1n[nH]c2c1CCCC2)c1ncc2c(ncn2C)n1 2100556063 CDAZMGZUQJQYAJ-UHFFFAOYSA-N 297.366 1.602 0 50 CDAA COc1ccccc1/C=C/CN1CC[C@H](O)[C@H](CO)C1 414558654 NJFSHRIZVBIWOQ-PGXISHIXSA-N 277.364 1.384 0 50 CDAA c1cc2c(cc1CCNC1=NCCCCN1)OCO2 849214926 CSRHSDCOXGNBLL-UHFFFAOYSA-N 261.325 1.287 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 887882301 VZBYOIVHNMRPGO-OEUWWYETSA-N 290.407 1.916 0 50 CDAA CCO[C@H](C)c1nccn1Cc1n[nH]c2c1COCC2 901530299 QTAKZOKQBMRJEU-SNVBAGLBSA-N 276.340 1.825 0 50 CDAA COCc1noc(CN[C@@H]2CCCCC[C@@H]2CO)n1 126144823 DMWKTTWWVPWLSO-GHMZBOCLSA-N 269.345 1.247 0 50 CDAA CC(=O)Nc1nc2nccc(-c3ccccc3)n2n1 95677 JAYSZKUATGGRJR-UHFFFAOYSA-N 253.265 1.750 0 50 CDAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(OC)c1 406505 QIXOZLLBNAHMGA-GFCCVEGCSA-N 275.304 1.746 0 50 CDAA CCOc1ccc(C)cc1S(=O)(=O)n1ccnc1 1069263 FIHQUOKRDKOYJO-UHFFFAOYSA-N 266.322 1.827 0 50 CDAA O=C(C[C@H]1NC(=O)NC1=O)Nc1cccc2ccccc12 1298527 TYLHRPBDFWODNS-GFCCVEGCSA-N 283.287 1.376 0 50 CDAA CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1 1999404 KEECCEWTUVWFCV-UHFFFAOYSA-N 277.368 1.717 0 50 CDAA endogenous,in-man COCCCNC(=O)COc1cc(C)ccc1C 2052504 CVLXUGOHDLSNLF-UHFFFAOYSA-N 251.326 1.835 0 50 CDAA COc1ccc(-c2nn3cnnc3s2)cc1OC 2351190 QJJRPDLLKUAQFA-UHFFFAOYSA-N 262.294 1.870 0 50 CDAA O=C(O)C[C@H]1N=C(Nc2nc3ccccc3s2)NC1=O 2458625 OOKBFPXIGJABNN-SSDOTTSWSA-N 290.304 1.037 0 50 CDAA CCCn1nccc1N=c1ccc(=NC(C)C)[nH][nH]1 2356145566 QIZQZDHMGNSBGD-UHFFFAOYSA-N 260.345 1.491 0 50 CDAA OC[C@@]12COC[C@@H]1CN(Cc1ccccc1OC(F)F)C2 2356146098 RLTACGUFQBRQME-WFASDCNBSA-N 299.317 1.729 0 50 CDAA COc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1 3349527 GWUPJNYEWONPJV-UHFFFAOYSA-N 299.348 1.614 0 50 CDAA CCN1Cc2nnc(-c3cc[nH]n3)n2[C@@H](CC(C)C)C1=O 2356159871 TYXDQWOPCZAMCK-NSHDSACASA-N 288.355 1.618 0 50 CDAA CC(C)CC[C@@]1(C(=O)O)CN(c2cnccn2)CC[C@H]1O 2356169730 XOQWOOOVYWCFNR-IUODEOHRSA-N 293.367 1.555 0 50 CDAA COc1ccc(CN2CCC[C@@H]2CO)c(OC)c1C 6667497 JBDQEEDZWGBFQW-CYBMUJFWSA-N 265.353 1.969 0 50 CDAA COC(=O)/C(=C/c1ccc(Br)o1)C(=O)O 6792649 IWXQGZAPJJUKTP-GQCTYLIASA-N 275.054 1.683 0 50 CDAA CCN1CN(c2ncnc3cc(F)c(OC)cc23)CC1=O 225492258 FFTCFFSJDLOBEY-UHFFFAOYSA-N 290.298 1.404 0 50 CDAA OC[C@H](CNc1ccncc1Cl)[C@H]1CCOC1 281107477 XHJJFGSIKFTIHH-UWVGGRQHSA-N 256.733 1.792 0 50 CDAA CCC(=O)NCc1nc(-c2ccc(OC)cc2)no1 21174121 NEXJARCPDSGMJK-UHFFFAOYSA-N 261.281 1.771 0 50 CDAA O=C(O)[C@H]1CNC[C@@H]1c1cccc(Br)c1 56958658 IETUAIGPGMFFRV-ZJUUUORDSA-N 270.126 1.837 0 50 CDAA Nc1ccc([C@@H]2C=NN(CCc3ccccn3)C2=O)cc1 108506726 ZBCCEXWRJUPFQX-HNNXBMFYSA-N 280.331 1.818 0 50 CDAA Cc1ncc2c(c1-c1noc(Cn3cccn3)n1)CCNC2 20998164 KMJWLTLIBAJXIW-UHFFFAOYSA-N 296.334 1.331 0 50 CDAA CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc1 1074600145 CLBXUJMSWSMLLR-BFHYXJOUSA-N 259.305 1.796 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccncc1Cl 117726538 MPABUWHZXLAKDG-BCMRRPTOSA-N 280.711 1.813 0 50 CDAA C[C@@]1(C(=O)NCC2(Cn3ccnc3)CC2)CCCCO1 67587844 FONXOGBIKAEWBO-AWEZNQCLSA-N 277.368 1.739 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CC(C)(C)O 347072914 GZGMAXLZOMOGON-FRRDWIJNSA-N 285.384 1.190 0 50 CDAA CCn1ncnc1[C@@H]1CC(=O)Nc2cc3[nH]ncc3cc21 67713564 HWTBHOQKMRWVBY-SNVBAGLBSA-N 282.307 1.648 0 50 CDAA Cc1cnccc1NCCNC(=O)CN1CCCC[C@@H]1C 20255294 KITJBJWMFSVESH-AWEZNQCLSA-N 290.411 1.793 0 50 CDAA O=C(O)c1cc(F)ccc1NS(=O)(=O)c1ccoc1 349109136 PKALKKZFTVWWIG-UHFFFAOYSA-N 285.252 1.918 0 50 CDAA CCc1ccc(CN2CCO[C@@H](CCNC(C)=O)C2)nc1 67847753 LYHIFZFUYRMODH-INIZCTEOSA-N 291.395 1.371 0 50 CDAA CC(C)Oc1cncc(-c2nnn(C)c2C(=O)O)c1 311425163 BLKJSKBJSXKHQU-UHFFFAOYSA-N 262.269 1.363 0 50 CDAA Cc1cc(C)n([C@@H](C)CC(=O)Nc2nccn2C)n1 331355136 QGMGBPRJJXNWIM-NSHDSACASA-N 261.329 1.823 0 50 CDAA Cc1cccc(O[C@H](C)C(=O)N2CCO[C@H]([C@@H](C)O)C2)c1 331355567 QUMMANFZQAIMKX-NFAWXSAZSA-N 293.363 1.371 0 50 CDAA CC(=O)NC(C)(C)c1noc([C@@H]2CC23CCOCC3)n1 350300231 MQMYRPZEKBQPGM-JTQLQIEISA-N 279.340 1.725 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CO)[C@H]1CC(Cl)=NO1 65735033 SIXRARYYNKAYNN-RNFRBKRXSA-N 264.709 1.213 0 50 CDAA in-vitro CN(C)NCc1ccc(OCCCN2CCOCC2)cc1 67612741 UXWFTJHRZVJTKD-UHFFFAOYSA-N 293.411 1.354 0 50 CDAA CCNc1ccnc(N(C)CC2(CO)CCC2)n1 65509255 IWZIEIXZZQTZDN-UHFFFAOYSA-N 250.346 1.507 0 50 CDAA Cc1csc(CN2CCC[C@@H](S(C)(=O)=O)CC2)n1 331653803 PEIVBIPRGVNXSY-LLVKDONJSA-N 288.438 1.851 0 50 CDAA C[C@H](c1ccon1)N(C)CC(=O)Nc1cnccn1 65435151 YZFCBVPYNMSOJV-SECBINFHSA-N 261.285 1.096 0 50 CDAA NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@H]1C[C@H]2CC[C@H]1O2 428191263 AFERCQGDIJREEY-UQPQVDFHSA-N 264.369 1.140 0 50 CDAA Cc1ccc(NC(=O)N2CCC[C@H](CC(N)=O)C2)nc1 122166482 SOASBVDOIVWJRW-LLVKDONJSA-N 276.340 1.509 0 50 CDAA CC(C)(CNc1cnccn1)CN1CCOCC1 32516097 YOKACYGZKLMZLU-UHFFFAOYSA-N 250.346 1.247 0 50 CDAA O=C(O)COCc1nc2cccnc2n1CC1CC1 66346506 XKIKVQUICJKRGC-UHFFFAOYSA-N 261.281 1.443 0 50 CDAA C[C@H](CNC(=O)CC(F)(F)F)N1CCOC[C@H]1C 252511192 DTOLHWKDONQTLF-RKDXNWHRSA-N 268.279 1.164 0 50 CDAA CC[C@@H](SC)C(=O)N1CCN(CC)[C@@H](c2ncc[nH]2)C1 328635486 UVSJJBVHRSXXFI-VXGBXAGGSA-N 296.440 1.757 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)c1ccncc1Cl 328619590 GBWWTAUEXTYXIU-JTQLQIEISA-N 290.754 1.924 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(C(=O)c2ccsc2)CCO1 328622022 AWPPTURIKVGHMQ-CQSZACIVSA-N 294.420 1.931 0 50 CDAA C[C@H](O)CN(C)C(=O)c1cnc(S)n1-c1ccccc1 126806701 KGZKAKLWFISBAO-JTQLQIEISA-N 291.376 1.614 0 50 CDAA C[C@@H]1CN(C(=O)CCCOc2cccnc2)C[C@@H](C)N1 154129894 IICQRMOZPNSBFU-CHWSQXEVSA-N 277.368 1.449 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)CC1=CCCCC1 128209173 MFLPJXZNOSRWBU-LBPRGKRZSA-N 267.325 1.579 0 50 CDAA COC[C@H]1CN(C(=O)NCCc2ccco2)C[C@H](C)O1 334059992 BSLFDPPUUNFXFW-WCQYABFASA-N 282.340 1.267 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1 156180550 WYXNZGGRQJMARC-CHWSQXEVSA-N 299.378 1.467 0 50 CDAA Cc1nnc(CCNC(=O)c2cccc(N(C)C)c2)s1 215726633 IRSHAHPTIHSDFV-UHFFFAOYSA-N 290.392 1.885 0 50 CDAA C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](O)C2)CC12CCC2 334514356 WXGDLUVWHAGNGF-OLZOCXBDSA-N 294.395 1.008 0 50 CDAA CCc1cc(CNc2nc3c(cc2C(N)=O)CCC3)on1 32553387 IGXZKOUYDPPDIT-UHFFFAOYSA-N 286.335 1.832 0 50 CDAA CC(C)C[C@H](O)C(=O)NCCCc1cccnc1 216523133 GKRCBVQBEIBNBK-ZDUSSCGKSA-N 250.342 1.537 0 50 CDAA C[C@H]1CN(C(=O)C2Cc3ccccc3C2)[C@H](C)CN1C 336410512 SOQNDHNAELJGHS-QWHCGFSZSA-N 272.392 1.952 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@H]1COc2ccc(F)cc21 336550904 KJBBTIUHUSSJBB-ZDUSSCGKSA-N 289.310 1.958 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCC(NCC2CC2)CC1 262577652 GPUAZWFGPRKGGT-UHFFFAOYSA-N 261.369 1.927 0 50 CDAA COCCN1C[C@@H](Cc2nc(C)ccc2OC)CC1=O 219746613 ZNJVRLGEXQWERO-LBPRGKRZSA-N 278.352 1.436 0 50 CDAA Cc1nc(N(C)C)nc(N2CCC[C@H]2[C@H]2CCCC2=O)n1 241587871 OXTLXPADVXZJIQ-NEPJUHHUSA-N 289.383 1.584 0 50 CDAA Cc1noc(C)c1CN(C)c1cc(C2CC(N)C2)ncn1 218895824 RXJOQOQZCMKGBA-UHFFFAOYSA-N 287.367 1.923 0 50 CDAA CN(C[C@@H](O)CO)c1cc(-c2ccccc2)nc2ccnn12 72438305 FRNSCXAUWAAPOC-CYBMUJFWSA-N 298.346 1.186 0 50 CDAA COc1ccc(C(=O)NCC(=O)O)c(OC(C)C)c1 263251542 HJDZGMSFLXMZLI-UHFFFAOYSA-N 267.281 1.297 0 50 CDAA CC(C)C[C@@H](O)C(=O)N1CCN(c2ccccc2)C(=O)C1 82155823 XOGTWNOXPWUFKH-CQSZACIVSA-N 290.363 1.269 0 50 CDAA CC[C@H](NC(=O)Cc1cc(C)no1)c1cn2cccnc2n1 221306160 IPRFOCPDNFGAIZ-LBPRGKRZSA-N 299.334 1.836 0 50 CDAA O=S1(=O)C(CN2CCOCC2)=C(Cl)c2ccccc21 40177697 WNENIQVENCOLDG-UHFFFAOYSA-N 299.779 1.714 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)c2cnc(OC)nc2)C1 426555911 OTYMCLJSUKGFLA-GFCCVEGCSA-N 279.340 1.516 0 50 CDAA CCc1noc(CCNC(=O)c2cccc(C(=O)O)c2)n1 426549852 BSMSXVLDENMPGT-UHFFFAOYSA-N 289.291 1.303 0 50 CDAA CC(C)(C(=O)N1CC(c2ccncc2)C1)N1CCCC1 426746064 HWAUZYSSHXLNOM-UHFFFAOYSA-N 273.380 1.882 0 50 CDAA O=C(Cc1nc2ccccc2[nH]1)NCC1(O)CCCCC1 426550408 KAFPIKPMYMNHMQ-UHFFFAOYSA-N 287.363 1.917 0 50 CDAA CNC[C@H]1CCCN(C(=O)/C=C/c2cncc(F)c2)C1 237309085 INFWCISPKLFKMX-MUBLQREKSA-N 277.343 1.692 0 50 CDAA Cc1nc(C(=O)NCCN2CCCC[C@@H]2CO)cs1 96140508 GMODJLUSAVOYPQ-LLVKDONJSA-N 283.397 1.028 0 50 CDAA COC[C@]1(O)CCN(C(=O)C2CCOCC2)CC1(C)C 91644954 XCWPKFASERJWIC-OAHLLOKOSA-N 285.384 1.049 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)N1C[C@@H](O)CO1 91536451 XSXUHMVVNDJPTQ-MRVPVSSYSA-N 256.327 1.323 0 50 CDAA CC1(C)CN(Cc2ccc3c(c2)NC(=O)CO3)C[C@H]1O 294708092 ONSGJZLKBICRLK-CYBMUJFWSA-N 276.336 1.220 0 50 CDAA COCC(=O)N1CCC[C@H](c2nccn2CC2CC2)C1 95528535 AVFIHAABPQFFRR-ZDUSSCGKSA-N 277.368 1.646 0 50 CDAA COC(=O)CCOCCOCCOCc1ccccc1 97756845 XKJUNFWEMICIDC-UHFFFAOYSA-N 282.336 1.800 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)[C@H](c1cccc(F)c1)N(C)C 95362589 FDBFPOJSCIJCCZ-AWEZNQCLSA-N 290.342 1.810 0 50 CDAA O=C(Cc1cccc(F)c1)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91679919 QLGFYESVRRDWFS-OKILXGFUSA-N 293.338 1.103 0 50 CDAA Cc1nnc(NCCc2nc3c(s2)CCC3)o1 95369104 MHRJEAGBVVQUFW-UHFFFAOYSA-N 250.327 1.978 0 50 CDAA COCCc1noc([C@H]2CCC(=O)N(C3CCCC3)C2)n1 91664608 MDFJLUPBWUUDLI-NSHDSACASA-N 293.367 1.907 0 50 CDAA CCc1ccccc1OC1CN(C(=O)[C@H](C)NC)C1 92062265 FUDLBEXKSGBUKZ-NSHDSACASA-N 262.353 1.447 0 50 CDAA Cc1nc(NCc2ccccn2)cc([C@H]2C[C@@H](N)C2)n1 244874666 XFINHKCQFDBCQR-TXEJJXNPSA-N 269.352 1.997 0 50 CDAA Cc1nn(CCCNC(=O)[C@H]2CCOC2)c(C)c1Cl 243893416 AQZVKTJEMHXVNX-NSHDSACASA-N 285.775 1.696 0 50 CDAA C[C@@H]1CN(C(=O)CN(C)[C@H]2CCc3ccccc32)CCO1 249243165 RSUSNPMZYCPCIY-CJNGLKHVSA-N 288.391 1.853 0 50 CDAA C[C@H](NCc1nnc2n1CCCC2)c1cccc(CO)c1 183865364 YPCLMKMJSNNBLO-LBPRGKRZSA-N 286.379 1.958 0 50 CDAA COc1ccc2c(c1)OCC(C(=O)NCCC(=O)O)=C2 299751242 QANBWJUYDMNMPQ-UHFFFAOYSA-N 277.276 1.062 0 50 CDAA O=C([C@H](O)c1cccc(Cl)c1)N1CCc2n[nH]cc2C1 1144821459 LRBARVRCAQPLJU-CYBMUJFWSA-N 291.738 1.681 0 50 CDAA C[C@H](CCn1cccn1)NCc1nc(C2CC2)no1 534587276 HLIUIOMEVWCUNJ-SNVBAGLBSA-N 261.329 1.712 0 50 CDAA COC[C@]1(C)CN([C@H](C(=O)O)c2ccc(F)cc2)CCO1 629379992 UTHAWZUBEIFJHM-ZFWWWQNUSA-N 297.326 1.689 0 50 CDAA O=C1OC[C@H]2CN(Cc3cccc(OC(F)F)c3)CCN12 363812207 FIYCDDRTCLIPDR-LLVKDONJSA-N 298.289 1.924 0 50 CDAA COc1ccc2c(c1)CC[C@@H](N1CCCNC(=O)C1)C2 824751217 UFAVSRDIUOEFTE-CQSZACIVSA-N 274.364 1.374 0 50 CDAA COc1ncc(CN2CC[C@@H](n3nc(C)cc3C)C2)cn1 824851817 JLEPCWKLZOWIIY-CQSZACIVSA-N 287.367 1.746 0 50 CDAA COc1ccc2nc(CNC(=O)C[C@H]3CCOC3)[nH]c2c1 584887641 IQALHCAVXDTMBO-SNVBAGLBSA-N 289.335 1.614 0 50 CDAA Cc1cnccc1N1CCN(C(=O)c2cncc(O)c2)CC1 584894640 YGGXPRIQSIOQNW-UHFFFAOYSA-N 298.346 1.453 0 50 CDAA COCCCCN1CCN(C(=O)c2cscn2)CC1 584900648 WRZQMOFVDHJBFB-UHFFFAOYSA-N 283.397 1.328 0 50 CDAA CNC(=O)[C@H](NC(=O)C1(COC)CC1)c1ccccc1 584895698 UMMUUDPBKXFUGX-GFCCVEGCSA-N 276.336 1.017 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NC[C@H]1CCCO1 239184801 QZJPDCZBYMDOCY-PREPNJAASA-N 267.325 1.029 0 50 CDAA CS(=O)(=O)CCC(=O)Nc1ccnn1C1CCCC1 915138556 IULHXZAURREULP-UHFFFAOYSA-N 285.369 1.371 0 50 CDAA O=C(Cn1ccc(C(F)F)n1)NOCC(F)F 860812452 YNKDLKPBSVRGJU-UHFFFAOYSA-N 255.171 1.134 0 50 CDAA COc1ccc2cc(C(=O)N3CCOCC3)ccc2n1 1875292585 MYOBSYYNTQHZRX-UHFFFAOYSA-N 272.304 1.716 0 50 CDAA O=C(Cn1ncc2ccccc21)N1CCCc2nn[nH]c21 1875258457 JXYZBKLALIPNAW-UHFFFAOYSA-N 282.307 1.134 0 50 CDAA CSC1(CN2C(=O)CCN(CC3CC3)C2=O)CC1 1875281389 QOYCOYOLVLKMKQ-UHFFFAOYSA-N 268.382 1.946 0 50 CDAA O[C@@H](CSCc1ccccc1F)[C@]1(O)CCOC1 1875279383 YMZKVZOMFRGMOZ-STQMWFEESA-N 272.341 1.571 0 50 CDAA C=CC(=O)N[C@@H]1CC[C@H]1CNC(=O)OC(C)(C)C 1875379095 MHNQMNFVWLRSIF-VHSXEESVSA-N 254.330 1.592 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C3CC3)C3COC3)n[nH]c21 1875395403 WFDCLGPHQUWUJV-BDAKNGLRSA-N 291.351 1.435 0 50 CDAA COC(=O)[C@@]12CCO[C@@H]1CN(Cc1ccccc1)C2 1875337179 PRBRMGFBZIXOSR-UKRRQHHQSA-N 261.321 1.451 0 50 CDAA CC(C)Cc1nc(=NC(=O)N[C@@H]2C[C@@H](O)C2(C)C)s[nH]1 1875396699 RFPFAKYULAFQOB-RKDXNWHRSA-N 298.412 1.439 0 50 CDAA Cc1ccc([C@H](C)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)o1 886097103 NRISVTPLVJQLFX-CIQGVGRVSA-N 261.325 1.810 0 50 CDAA COc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1 16039557 ICLZVZYLMANZNT-UHFFFAOYSA-N 291.332 1.509 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CCc1cn[nH]c1)C(=O)O 1772717085 VEUQMYLYUKWXKY-SECBINFHSA-N 269.301 1.320 0 50 CDAA COCCCS(=O)(=O)CC(=O)NCc1cccc(C)c1 1775996395 IWWQRUDNDIIXHU-UHFFFAOYSA-N 299.392 1.063 0 50 CDAA O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC[C@H](Cn2ccnn2)C1 1362201375 WMNWVFJHBJEPQS-DGAVXFQQSA-N 290.367 1.084 0 50 CDAA CC(C)(C)OC(=O)[C@](C)(O)CNC[C@@]1(C)CCCCO1 1363575107 IKJQYCGYYKHCIF-HUUCEWRRSA-N 287.400 1.628 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](CN)CC(F)(F)C1 91692689 PZRLKSYZJHAEEK-MRVPVSSYSA-N 250.289 1.837 0 50 CDAA in-vitro CCOC(=O)CC[C@H](CC(=O)OCC)C(=O)OCC 96341800 CKNUUYLRWBMMIE-SNVBAGLBSA-N 274.313 1.462 0 50 CDAA in-vitro O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCOC[C@@H]1CO 168448754 WTWSLRSIRDHJSH-RVMXOQNASA-N 253.342 1.032 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 276609446 LPXQTJBMWMRHIA-DGCLKSJQSA-N 277.368 1.931 0 50 CDAA C[C@H](NC(=O)[C@H](C)[S@@](=O)CCO)c1ccc(F)cc1 170051245 BFTJPKVFMJYKLZ-GJPGNPISSA-N 287.356 1.132 0 50 CDAA C/C=C/CS(=O)(=O)Cc1nnc2n1CCCCC2 278827402 RPTIAKNZRMYBRH-NSCUHMNNSA-N 269.370 1.495 0 50 CDAA O=C(CO)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280131383 SQJJDXIYYKNCHK-KCJUWKMLSA-N 289.253 1.332 0 50 CDAA O=C(N[C@H]1CCCOCC1)c1cn2ccnc2s1 188766240 SSFQPYHCDBUGOB-VIFPVBQESA-N 265.338 1.695 0 50 CDAA CCOC[C@@H](C)OC(=O)c1cnn2c1CCCC2 190734257 CJJQXBGLZNLQLQ-SNVBAGLBSA-N 252.314 1.801 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nc(C)c(C)o2)C1 643859170 YKCJKNDFZQJYEX-NEPJUHHUSA-N 276.340 1.977 0 50 CDAA Cc1nccc([C@H]2CCCN(c3nccn4nnnc34)C2)n1 674051588 YLDKLKWNNQLJHI-NSHDSACASA-N 296.338 1.002 0 50 CDAA O=C(NCc1nn[nH]n1)C1(Cc2ccccc2)CCC1 675139328 CSHUOTFFPKOBMU-UHFFFAOYSA-N 271.324 1.229 0 50 CDAA C[C@@H](c1nnnn1C1CC1)N1CCC(n2ccnc2)CC1 192061879 YJLYZAYACUXXSQ-NSHDSACASA-N 287.371 1.603 0 50 CDAA O=C(O)c1ccc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)nc1 647454334 LLHDCQMJPIDSNT-YNEHKIRRSA-N 292.335 1.146 0 50 CDAA CC[C@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)OC 192858322 QQFBJJKJLOWTHP-KGLIPLIRSA-N 296.411 1.709 0 50 CDAA CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1cc(N)n[nH]1 1506422073 OHHVZUZEVAXIRQ-UHFFFAOYSA-N 287.298 1.885 0 50 CDAA CN(C)c1nc(NC[C@@H]2CCCCN2C)ncc1F 1506403571 SURKZKKJSWYVFL-JTQLQIEISA-N 267.352 1.578 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCc2cc(O)nc(C)n2)n1 1506416224 FEKXSUBEUSSJOK-SNVBAGLBSA-N 275.356 1.482 0 50 CDAA CC(C)N1CCCN(c2cccc(C(=O)N(C)C)n2)CC1 1529159251 RAMCBYVMDJIYRN-UHFFFAOYSA-N 290.411 1.704 0 50 CDAA CO[C@H]1CN(Cc2ncc(C)[nH]2)C[C@H]1Cc1cc(C)no1 1529172937 KZUDHIPVVLKZEG-OCCSQVGLSA-N 290.367 1.704 0 50 CDAA CSCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529167646 KXMBBNISSBNCKY-TZMCWYRMSA-N 281.377 1.310 0 50 CDAA COCCCN(C)C[C@H]1CCC(=O)N(C(C)C)C1 1800411436 JWRZICKBZBFWCN-CYBMUJFWSA-N 256.390 1.602 0 50 CDAA CNC(=O)c1cccnc1N[C@@H]1COc2ccccc2C1 1704336857 SLIXEDDSNFXFDJ-LBPRGKRZSA-N 283.331 1.857 0 50 CDAA Cc1nc(CN(C)C(=O)c2cncc(Cl)c2)no1 622488393 SHLOVAGAKQQTKZ-UHFFFAOYSA-N 266.688 1.699 0 50 CDAA N[C@@H](CC(=O)O)C(=O)N1CCS[C@@H](c2ccccc2)C1 1601201187 VTFPKYFMRBQWAD-NWDGAFQWSA-N 294.376 1.105 0 50 CDAA Cc1nc(CCNC(=O)N2CCN3CC[C@H]2C3)sc1C 1615589425 XTPOZVNFQDLUDN-LBPRGKRZSA-N 294.424 1.402 0 50 CDAA CN1CC[C@H](NS(=O)(=O)CCCCC2CC2)CC1=O 1615585809 LXDIEYMGIDIXAI-LBPRGKRZSA-N 288.413 1.107 0 50 CDAA Cc1ccnc(Cn2nc(C)c([C@H]3CCCC(=O)N3)c2C)n1 1615556084 XSXDUFZFSDINEB-CYBMUJFWSA-N 299.378 1.988 0 50 CDAA COc1cc2c(cc1CN1C[C@H](O)[C@@H](F)C1)CCC2 1616106930 ZSPRALVKRDZKOI-KBPBESRZSA-N 265.328 1.699 0 50 CDAA O=C1CCCC[C@@H]1S(=O)(=O)N1CCC(C(F)F)CC1 1775987639 PDOGEVZUCFFISE-NSHDSACASA-N 295.351 1.805 0 50 CDAA Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)O)c1Cl 262505898 ZYDVRTCPZJCSFL-ZETCQYMHSA-N 277.729 1.400 0 50 CDAA O=C(O)COc1ccccc1CN1CCC[C@H]1C1(O)CC1 1772810230 JJSJDJXUNRFILF-AWEZNQCLSA-N 291.347 1.639 0 50 CDAA CCc1ccccc1OCCN1C[C@@H]2CNC[C@]2(CO)C1 1772705223 GAWAPFNLOXJMJS-DOTOQJQBSA-N 290.407 1.142 0 50 CDAA CCc1nn(C[C@@H](O)c2ccc(F)cc2)c(N)c1C(=O)O 1775972897 BIMRCEZUQXVWSO-LLVKDONJSA-N 293.298 1.599 0 50 CDAA COC(=O)c1cccc(NC(=O)c2cc[n+](C)cc2)c1 5005885 PFYQTKKDWLKQIH-UHFFFAOYSA-O 271.296 1.550 0 50 CDAA CS(=O)(=O)Nc1cccc(C(=O)N2CCCCC2)c1 13677308 PRYNKKLSNQUXRZ-UHFFFAOYSA-N 282.365 1.684 0 50 CDAA COc1ccc2c(c1)/C(=C1/SC(=N)NC1=O)C(=O)N2 17197811 QTMKXLDQQADEAG-HJWRWDBZSA-N 275.289 1.156 0 50 CDAA C[C@H]1C[C@@H]1C(=O)NCc1nc(-c2cccc(O)c2)no1 1857529203 FIZGGRGEZXKVSQ-KWQFWETISA-N 273.292 1.714 0 50 CDAA O=C(c1ncccc1O)N1CC(c2ccncc2)C1 1857694793 XSRHRVBFZGDLOL-UHFFFAOYSA-N 255.277 1.422 0 50 CDAA Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CO[C@@H](C)CN2C1 1875248454 RKHPDGKUSMVOBO-IMJJTQAJSA-N 288.391 1.515 0 50 CDAA COC(=O)[C@H]1CCN(Cc2ncc(C)o2)C[C@@H]1C 225600778 QXPDCAIHWBUQQB-ONGXEEELSA-N 252.314 1.614 0 50 CDAA Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1cn[nH]c1 619294285 LRDAWXYJIAEFJN-GXFFZTMASA-N 289.339 1.041 0 50 CDAA Cn1cc(CC(=O)NCCc2ccc(C(=O)O)cc2)cn1 630097454 INOOKOUFNTUIQG-UHFFFAOYSA-N 287.319 1.020 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2)n1 238046793 WRIJKKBILFBPQY-AWEZNQCLSA-N 299.330 1.952 0 50 CDAA C[C@H]1CCN(CC(=O)NCc2nc3ccc(F)cc3[nH]2)C1 553497333 BUOJILJYPHZPDS-JTQLQIEISA-N 290.342 1.660 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc(O)c1 247411903 PNHJWUORSIFOTR-RBJBARPLSA-N 273.288 1.854 0 50 CDAA Cc1cccc(NC(=O)[C@H]2CCc3nccn3C2)n1 363990927 OVARNINMSLTLLQ-NSHDSACASA-N 256.309 1.788 0 50 CDAA C[C@](O)(CNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2)C(=O)O 911474224 XDZIVNZYNSBARE-RAQUFCOMSA-N 299.342 1.247 0 50 CDAA COCc1ncc(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)s1 913585448 DAHOQSDJIVHKAG-QMMMGPOBSA-N 292.364 1.772 0 50 CDAA C[C@H]1CN(C(=O)Nc2ccc3nn[nH]c3c2)C[C@H](C)O1 822501903 ACPNYHCZMGVNBA-IUCAKERBSA-N 275.312 1.599 0 50 CDAA O=C(NC[C@H]1CCCN1CC(F)F)Nc1cnns1 930999446 GYSZSBCHGUZCGT-SSDOTTSWSA-N 291.327 1.389 0 50 CDAA CCOC(=O)[C@@H]1CCCCN1C1CCN(C)CC1 291709 OCOMZDWEJWQZBX-ZDUSSCGKSA-N 254.374 1.498 0 50 CDAA CNC(=O)[C@H]1CCN(C(=O)c2ccc(C)cc2F)C1 223649750 POIZFYXOEKDYFD-JTQLQIEISA-N 264.300 1.342 0 50 CDAA COc1ccc(C(=O)NCCCN(C)C)cc1OC 3210675 TYZFWAWSYYZRFP-UHFFFAOYSA-N 266.341 1.385 0 50 CDAA biogenic COc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)O)ccc1F 127541228 YQVTXGXLZQQLOI-ONGXEEELSA-N 281.283 1.817 0 50 CDAA C[C@@H]1C[C@@H](N(C)C(=O)CCC2CCNCC2)CCN1C 237564536 MHGPYHKZSMLRJJ-HIFRSBDPSA-N 281.444 1.707 0 50 CDAA Cc1[nH]cnc1CN1CCN(C2CCSCC2)CC1 252492068 MBUAPAWEHFCBNN-UHFFFAOYSA-N 280.441 1.731 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2CC(C)(C)C)C1 260226702 IAEZHZUFDLRKET-VIFPVBQESA-N 251.330 1.602 0 50 CDAA Cc1ccc(O)c(C(=O)NCc2nnc(C)n2C)c1 264359801 RYJUPSTYFSUCJL-UHFFFAOYSA-N 260.297 1.068 0 50 CDAA Cc1cc(NC2CCN(CC(N)=O)CC2)cc(C)n1 311447224 KNJSOSYYARLDHT-UHFFFAOYSA-N 262.357 1.060 0 50 CDAA O=S1(=O)CC[C@H](CCN2CCOc3ccccc3C2)C1 670460047 HQHPBTXHIGWLLC-ZDUSSCGKSA-N 295.404 1.706 0 50 CDAA CCn1ccc(C(=O)Nc2nc(C)c(C)c(C)n2)cc1=O 2100548348 YFDTYDQAJBOINA-UHFFFAOYSA-N 286.335 1.836 0 50 CDAA c1cc2nsnc2cc1CN1C[C@@H]2CCN[C@@H]2C1 426635293 IOTRPEHUTPDHJK-GXFFZTMASA-N 260.366 1.485 0 50 CDAA CC[C@H](C)C[C@H](C)CN1C(=O)N(CC(N)=O)C(C)(C)C1=O 2325783359 RGPVHMJHDVZLFV-QWRGUYRKSA-N 297.399 1.587 0 50 CDAA O=C(O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2 197900 RORLHZOSLJVILS-UHFFFAOYSA-N 266.341 1.729 0 50 CDAA Cc1nn(C(=O)c2ccnn2C)c(C)c1Br 268228 MZVWCIRKBKGRDK-UHFFFAOYSA-N 283.129 1.684 0 50 CDAA CCCn1nnc(NC(=O)COc2ccc(C)cc2)n1 470654 RJWDTZQCZBJSKZ-UHFFFAOYSA-N 275.312 1.409 0 50 CDAA COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=O 489141 AJSNVHJAMCDCIR-UHFFFAOYSA-N 263.249 1.784 0 50 CDAA biogenic CCOc1ccccc1NC(=O)C[C@H]1SCCNC1=O 2324351 QRRYMQPWIBJBLQ-GFCCVEGCSA-N 294.376 1.646 0 50 CDAA Cn1cc(C(=O)NCCCC(=O)O)c(C(F)(F)F)n1 2513389 GQIVDPHBZLQWTR-UHFFFAOYSA-N 279.218 1.034 0 50 CDAA COCCNS(=O)(=O)c1ccc(OC)c2ccccc12 2693048 JFLFCFNPGRMSQZ-UHFFFAOYSA-N 295.360 1.773 0 50 CDAA c1ncc(-c2cnc3c(N4CCCC4)nccn23)cn1 2356153448 HUVDMDMFOKGTPI-UHFFFAOYSA-N 266.308 1.787 0 50 CDAA COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C 4302623 CBGKZEAGCJUUAT-RYUDHWBXSA-N 299.392 1.802 0 50 CDAA Cc1cc(C)c(C)c(S(=O)(=O)NCCCO)c1C 4821256 BNGVZQFEAPSGCA-UHFFFAOYSA-N 271.382 1.581 0 50 CDAA C=Cc1ccc(CC(C)(COCCO)COCCO)cc1 4978265 KSRAOBCROWRAOP-UHFFFAOYSA-N 294.391 1.896 0 50 CDAA CC(C)(C)NC(=O)c1ccc(CS(C)(=O)=O)cc1 7669823 ZPNZEEKMUBCVKT-UHFFFAOYSA-N 269.366 1.760 0 50 CDAA Cc1ccc2ncccc2c1CN1CCN(C)[C@@H](C(=O)O)C1 106689823 LDLKYELMDLPSFF-MRXNPFEDSA-N 299.374 1.744 0 50 CDAA CN(CCO)C(=O)c1cc(COc2ccccc2)[nH]n1 67852492 UZOVNQGEEDJTDQ-UHFFFAOYSA-N 275.308 1.053 0 50 CDAA CC(=O)N[C@@H]1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C1 67884104 JPZUVPIYYVZHBI-OAHLLOKOSA-N 299.374 1.547 0 50 CDAA CC(C)n1cnnc1CCNC(=O)c1cccs1 20598742 KYROWSGXJXNCKV-UHFFFAOYSA-N 264.354 1.893 0 50 CDAA Cc1n[nH]c(SCCNC(=O)c2cc(C3CC3)n[nH]2)n1 67956263 AGMOMOOSYHTFNT-UHFFFAOYSA-N 292.368 1.236 0 50 CDAA CC(C)CC(=O)N1CCN(Cc2ccco2)CC1 20468453 KEPDJDSHIQSOAK-UHFFFAOYSA-N 250.342 1.970 0 50 CDAA C[C@H]1c2cccn2CCN1C(=O)CCC1=NNC(=O)CC1 67833837 YGNLKTYUGYRYNZ-NSHDSACASA-N 288.351 1.438 0 50 CDAA C(CN1CCOC[C@@H]1C1CC1)CN1CCOC[C@@H]1C1CC1 121562549 OBQUJAPAAQFGOA-IAGOWNOFSA-N 294.439 1.598 0 50 CDAA CCNC(=O)CN1C[C@@H]2CN(C)[C@H](c3ccccc3)[C@H]2C1 252485899 BXXHIUKYTMFACF-YQQAZPJKSA-N 287.407 1.357 0 50 CDAA NC(=O)CCNC(=O)c1cc2ccccc2n1CC1CC1 252492386 MKORBTUALUFCDO-UHFFFAOYSA-N 285.347 1.657 0 50 CDAA Cn1nc(-c2ccco2)cc1NC(=O)c1ccn(C)c(=O)c1 252508333 XKMUVDJIHVJCEE-UHFFFAOYSA-N 298.302 1.631 0 50 CDAA CC(C)(O)CCc1ccc(C(=O)N[C@H]2CCNC2=O)cc1 72458982 RZLXUGMOCWDGGG-ZDUSSCGKSA-N 290.363 1.008 0 50 CDAA CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(=O)[nH]n2)C12CCC2 126197039 HDJBKTQDIJSKDZ-NEPJUHHUSA-N 291.351 1.190 0 50 CDAA O=C1N[C@H](CO)C(=O)N1c1cccc(-c2cccs2)c1 445906578 DQQUEPCXMZOZOE-LLVKDONJSA-N 288.328 1.832 0 50 CDAA NC(=O)[C@@H]1CCCCN1C(=O)CCc1ccsc1 125543530 UGDPUBDDQNBYJD-NSHDSACASA-N 266.366 1.547 0 50 CDAA Cc1cnc(CN(C)[C@@H]2CCOC3(CCOCC3)C2)[nH]1 77504825 MSZORWYRKDLSRQ-CYBMUJFWSA-N 279.384 1.878 0 50 CDAA CCC1(O)CN(C(=O)C[C@@H](C)c2c(C)noc2C)C1 331900885 BOTGJGUNYWPRSX-SECBINFHSA-N 266.341 1.768 0 50 CDAA CCc1nc(CNc2cccc3c2C(=O)NC3)no1 153520857 KWSRRFFTRBGARR-UHFFFAOYSA-N 258.281 1.488 0 50 CDAA COC[C@H](C)NC(=O)c1cn2c3c(cccc3c1=O)CC2 33089055 YSLJVXNAOOBXFX-JTQLQIEISA-N 286.331 1.322 0 50 CDAA O=C([C@@H]1CCCN1)N1CCO[C@@H](c2ccccc2F)C1 237879219 BDLRLMHWXBONGM-UONOGXRCSA-N 278.327 1.478 0 50 CDAA NCC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 237951265 NBMJCWBFCSLYNC-UHFFFAOYSA-N 285.750 1.082 0 50 CDAA O=C(NC1(C(=O)O)CC1)[C@@H]1SCCc2ccccc21 237945687 FFMHYFDPBPAGSR-LLVKDONJSA-N 277.345 1.750 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)Cc1n[nH]c2ccccc12 238068756 AWPHYSGRQPDXEL-LBPRGKRZSA-N 273.292 1.181 0 50 CDAA CC(=O)c1ccc(C(=O)N2CCOC[C@@H](CO)C2)s1 77438464 OCOVMZDJLFPJDL-SNVBAGLBSA-N 283.349 1.032 0 50 CDAA CN1C(=O)CC[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 336154371 PHLRZESGZRHNOU-CYBMUJFWSA-N 270.332 1.686 0 50 CDAA CC(=O)c1ccc2c(c1)CCN(CCOCCO)CC2 374326120 FBFCSIUVFMLGHX-UHFFFAOYSA-N 277.364 1.299 0 50 CDAA CCc1nc(C)c(C(=O)N2CCC(C(=O)O)CC2)s1 262505310 ZKJCYIYSMNWXNX-UHFFFAOYSA-N 282.365 1.951 0 50 CDAA C[C@@H]1CN(C[C@@H](O)COc2ccc(F)cc2)[C@H](C)CO1 241738547 QYLCDYXNEOKIGJ-YRGRVCCFSA-N 283.343 1.675 0 50 CDAA O[C@@]1(c2c[nH]nn2)CCN(Cc2cc(F)cc(F)c2)C1 285402837 GEZUBBFSUZOTLK-ZDUSSCGKSA-N 280.278 1.176 0 50 CDAA O=C1C[C@@H](NCC2CC2)C(=O)N1c1ccc(Cl)cc1 83251947 TVPYRVWWNFLNIB-GFCCVEGCSA-N 278.739 1.972 0 50 CDAA C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)O1 527539176 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286.327 1.897 0 50 CDAA CNC(=O)C[C@H](C)N(C)Cc1cccc(C(=O)O)c1 244899710 ZOOHPUSBKDUDSQ-JTQLQIEISA-N 264.325 1.341 0 50 CDAA CC[C@H](NC(=O)c1nc(C)c[nH]1)c1ncnn1CC 240825158 QNLJQDHNHANNCC-VIFPVBQESA-N 262.317 1.211 0 50 CDAA Cc1nnc(-c2cc(NC3=CC(=O)NC3)ccc2O)o1 524733462 SYTZLUMOJUBWLC-UHFFFAOYSA-N 272.264 1.176 0 50 CDAA CCOP(=O)(C[C@H](N)[S@](=O)CC)OCC 242495704 GMZBZXWOSQIQKN-ANRSDYALSA-N 257.292 1.306 0 50 CDAA CC(C)N(C)C(=O)C(=O)Nc1ccc2nccnc2c1 163425715 CZMHZPBVRVGBPC-UHFFFAOYSA-N 272.308 1.435 0 50 CDAA O=C(CCn1cnnn1)N1CCc2[nH]c3ccccc3c2C1 524733364 LQSIFCDMKVDNHK-UHFFFAOYSA-N 296.334 1.129 0 50 CDAA CC[C@@H](C(=O)NCC1(N(C)C)CCOCC1)n1cccn1 252500832 TWECCLUHNDXJJQ-ZDUSSCGKSA-N 294.399 1.061 0 50 CDAA CC(C)(C)OC(=O)NC[C@@]1(C(=O)O)C[C@@]12CCOC2 601014778 HOZRVYWAQQWMNY-CHWSQXEVSA-N 271.313 1.393 0 50 CDAA Cc1[nH]c(=N)[nH]c(=NCC[C@H]2CCCOC2)c1Cl 534656823 APZYBUFTVVCGJM-SECBINFHSA-N 270.764 1.501 0 50 CDAA CS(=O)(=O)Cc1ccc(=NCC[C@@H]2CCCOC2)[nH]c1 534637010 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CC(C)NC(=O)c1ccccc1NC(=O)CCC(=O)O 14009104 RLNJZUXOAKIJEE-UHFFFAOYSA-N 278.308 1.628 0 50 CDAA Cc1ccnc(NS(=O)(=O)c2csc(C(N)=O)c2)c1 16626017 JMKFDLHNARSIOY-UHFFFAOYSA-N 297.361 1.351 0 50 CDAA NC(=O)CC[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 19792263 RQISFWPHIMLAFJ-LBPRGKRZSA-N 275.352 1.128 0 50 CDAA CC(C)(C)OC(=O)N1CCC(=O)[C@H]([C@@H]2CCOC2)C1 160083964 KBUQDRZZOYOBLV-MNOVXSKESA-N 269.341 1.849 0 50 CDAA O=C(Cc1ccsc1)N1CCC(n2cnnc2)CC1 1857687377 UWUPIXKHHRIWKY-UHFFFAOYSA-N 276.365 1.746 0 50 CDAA CCn1ncc(Cl)c1C(=O)N(C[C@H](C)C(=O)O)C1CC1 621536730 VHCGUJPRYSFPPS-QMMMGPOBSA-N 299.758 1.882 0 50 CDAA COc1nc2ccccc2cc1-c1nc(C(=O)O)cc(=N)[nH]1 1875243424 GUPMFNRYKWTGBV-UHFFFAOYSA-N 296.286 1.811 0 50 CDAA O=C(O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3278558 QBMVXMQGHLNPHJ-UHFFFAOYSA-N 258.277 1.821 0 50 CDAA in-vitro O=C([C@@H]1CC=CCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 229563345 SZMNVPYDQGFHHK-KFWWJZLASA-N 278.396 1.400 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC1CCN(C(=O)N(C)C)CC1 328644770 ZICCRPYUHUDJPL-UKRRQHHQSA-N 297.443 1.783 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc2c[nH]nc2c1 643763102 SJQHLUWHIOAIOX-OAHLLOKOSA-N 288.351 1.029 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1cn(-c2ccc(C)cc2)nn1 237145519 IVBKILNCJAOQPX-AWEZNQCLSA-N 299.378 1.400 0 50 CDAA COCCN(C(=O)c1cc[nH]n1)[C@@H]1CC[C@@H](C)C1 252479909 BPOOSYXIVGJPOL-GHMZBOCLSA-N 251.330 1.687 0 50 CDAA O=C(NC1(CO)CCSCC1)[C@H]1CCC[C@H]2CCCN21 585121958 HOOMOXFGRVBWMI-QWHCGFSZSA-N 298.452 1.378 0 50 CDAA C[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)c2ccoc2)C1 263161265 IIDRFDSGTBCCRF-BDAKNGLRSA-N 273.310 1.011 0 50 CDAA CC(C)(C)c1nc(Cn2cc(CCCO)nn2)co1 900593746 VMQDHUZYIPAHEB-UHFFFAOYSA-N 264.329 1.537 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccc(F)c1F)C2 1704308420 QTXQJMMWEFVIIV-QWRGUYRKSA-N 296.317 1.367 0 50 CDAA CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9256270 IXHUWXAYYTWCAS-UHFFFAOYSA-N 268.338 1.112 0 50 CDAA Cc1noc(COC(=O)c2nnc(O)c3ccccc23)n1 913297288 UCSCAHIAVGCJJY-UHFFFAOYSA-N 286.247 1.384 0 50 CDAA C[C@H]1CCC[C@@H](C)N1C(=O)CN1C[C@@H](C)O[C@H](C)C1 216422282 BSRMMUJMDWPTDD-XJFOESAGSA-N 268.401 1.885 0 50 CDAA C[C@@H](Cc1ccccc1F)NCC1(O)CCOCC1 123179030 JWNGEEVOWFKYSV-LBPRGKRZSA-N 267.344 1.888 0 50 CDAA CO[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccccc1 268914630 PCQOATGDUCNDMU-QJPTWQEYSA-N 263.293 1.211 0 50 CDAA Cc1nc(NC(=O)c2cccc3[nH]ccc23)n(C)n1 170078568 QQAWQMYLAAAFRK-UHFFFAOYSA-N 255.281 1.857 0 50 CDAA O=C1N[C@@H](C2CCCCC2)C(=O)N[C@H]1c1ccccc1 85809657 QBCAJISNIUMJCL-KBPBESRZSA-N 272.348 1.923 0 50 CDAA CCc1cnc(N)nc1N(C)CCc1cnn(C)c1 95376077 ZKXZLBACPZIOOD-UHFFFAOYSA-N 260.345 1.034 0 50 CDAA N=c1[nH]c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)cs1 584896459 QGYWCFHMBZFWGY-NWDGAFQWSA-N 273.361 1.976 0 50 CDAA C[C@@H](NC(=O)c1cc(C(F)F)n(C)n1)C1(CO)CC1 825010220 NTZWLNNMEBXOLK-SSDOTTSWSA-N 273.283 1.249 0 50 CDAA CC(=O)N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 2325701143 QOVZZMYAVXJDRY-JTQLQIEISA-N 282.365 1.424 0 50 CDAA O=C(Cc1ccc2c(c1)CCC2)NCc1cncnc1 2325784264 NUXCXNFPFFQZOV-UHFFFAOYSA-N 267.332 1.824 0 50 CDAA O=C(C1=CCSC1)N1CCC[C@H](c2nnc(O)o2)C1 2325797059 DOCRVMQXPRROMB-QMMMGPOBSA-N 281.337 1.154 0 50 CDAA O=C(N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O)C1(F)CC=CC1 2325805337 BMPSWBQZFYMQOS-JHJVBQTASA-N 293.342 1.197 0 50 CDAA Cc1cccc(C)c1CCNC(=O)C[C@@H]1CC(=O)NC1=O 934903546 QOHNWGZYDXQNLL-GFCCVEGCSA-N 288.347 1.015 0 50 CDAA C[C@@H]1CN(C(=O)CCc2ccnn2C)c2cccnc2O1 121527440 VBDODULYWPSGLS-LLVKDONJSA-N 286.335 1.562 0 50 CDAA Cc1nnc(COC(=O)c2cnn(-c3ccccc3)c2)n1C 129745053 JEWONLDWECXVSD-UHFFFAOYSA-N 297.318 1.666 0 50 CDAA Cc1cccn2c(=O)c(C=O)c(N3CCCCC3)nc12 127740 UIOZEXLUWLVZRO-UHFFFAOYSA-N 271.320 1.806 0 50 CDAA Cc1ccc(NC(=O)CSc2nncn2N)c(C)c1 130957 RGBIBBJFAXMRDC-UHFFFAOYSA-N 277.353 1.340 0 50 CDAA CNCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1C 209320 BCYLMWGLBAKEBZ-SNVBAGLBSA-N 278.352 1.369 0 50 CDAA CCCn1nnc(NC(=O)c2cccc(OCC)c2)n1 469749 GFZMOTSQDPXJTM-UHFFFAOYSA-N 275.312 1.734 0 50 CDAA Cc1cccc(NC(=O)[C@H]2CC(=O)n3cnnc3S2)c1 553219 RTHKJOIJUMQBSO-SNVBAGLBSA-N 288.332 1.730 0 50 CDAA COc1ccc(F)cc1S(=O)(=O)NCc1cccnc1 618723 STOAGHJDVPPWFS-UHFFFAOYSA-N 296.323 1.708 0 50 CDAA CC(C)NC[C@H](O)COc1ccc(CC(=O)O)cc1 1849613 PUQIRTNPJRFRCZ-LBPRGKRZSA-N 267.325 1.051 0 50 CDAA in-vitro COc1ccc(I)c(C=O)c1O 2546571 GAJCSIQJHFFZBK-UHFFFAOYSA-N 278.045 1.818 0 50 CDAA Cc1ccccc1NC(=O)CNC(=O)c1ccco1 2891013 OVBFPIVBRPTNJS-UHFFFAOYSA-N 258.277 1.957 0 50 CDAA COC[C@@]12COC[C@@H]1CN(CCc1ccc(O)cc1)C2 2356156428 BEXBUMYRQNBBNK-HOCLYGCPSA-N 277.364 1.530 0 50 CDAA Nc1c(C(=O)NC2CCCC2)nnn1-c1ccccc1 4984725 AJOJCBJBQXVEAE-UHFFFAOYSA-N 271.324 1.522 0 50 CDAA COc1ccc(C(=O)NCCN2CCCCC2)c(O)c1 4951416 NBQIRCNPOKFXGA-UHFFFAOYSA-N 278.352 1.617 0 50 CDAA COc1cc(CN(C)S(=O)(=O)c2ccccn2)sn1 1364980196 MKSVNGVEQQUJQB-UHFFFAOYSA-N 299.377 1.367 0 50 CDAA COC[C@H](C)NCc1cc(OC)c2c(c1)OCO2 4997034 UMVNCRDEPAFGAI-VIFPVBQESA-N 253.298 1.548 0 50 CDAA O=S(=O)(Nc1ccon1)c1cc(F)ccc1F 6706420 ABPGHEAFWGATJT-UHFFFAOYSA-N 260.221 1.754 0 50 CDAA O=C(O)[C@H]1CN(C(=O)[C@@H]2CCCO2)c2ccccc21 133863820 QNZZTWMEYITYNC-JQWIXIFHSA-N 261.277 1.380 0 50 CDAA CN1C[C@H](c2noc([C@H]3C[C@@H]3c3ccco3)n2)CC1=O 225597318 QWYBWWMUABLVBQ-UTLUCORTSA-N 273.292 1.879 0 50 CDAA C[S@@](=O)C1(CNC(=O)c2noc3c2CCCC3)CC1 225673487 GMVGAJHSVMBHAW-LJQANCHMSA-N 282.365 1.194 0 50 CDAA OCC[C@@H]1CCC[C@H]1NC[C@H](O)COCc1cccs1 225669420 AXKQRLCTBDAOBJ-KCQAQPDRSA-N 299.436 1.766 0 50 CDAA CC(C)CSCCCNC(=O)[C@H]1CCCC(=O)N1 225666985 FVAKKZXVPRIERY-LLVKDONJSA-N 272.414 1.551 0 50 CDAA C[C@H]1CN(Cc2ncc(C3OCCO3)s2)C[C@@H](C)O1 225637444 WUFCTOCODUDAOX-AOOOYVTPSA-N 284.381 1.798 0 50 CDAA Cn1ccs/c1=N\C(=O)c1cnc(C2OCCO2)s1 225796289 SBCCAORXWDYKDP-QBFSEMIESA-N 297.361 1.330 0 50 CDAA COCCCNCCOCCOc1ccccc1 22079147 XDUDNESNIFQKCG-UHFFFAOYSA-N 253.342 1.708 0 50 CDAA c1n[nH]cc1CCc1nc(-c2ccc3c(c2)OCO3)no1 20119459 SXOPOGMHPWZMIR-UHFFFAOYSA-N 284.275 1.974 0 50 CDAA c1coc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)c1 23153567 WAFTYACHVQMHFO-CYBMUJFWSA-N 288.351 1.781 0 50 CDAA COc1ccc(-n2c(-c3coc(C)n3)n[nH]c2=O)c(C)c1 65429174 CPLOLNYVMATXNM-UHFFFAOYSA-N 286.291 1.841 0 50 CDAA CSC[C@@H](C)C(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 421615717 HNODELZJNKBMGZ-GMTAPVOTSA-N 272.414 1.393 0 50 CDAA CCOc1ccnc(N(C)CCc2ccccn2)n1 65435533 RTYFIEUVHNPORL-UHFFFAOYSA-N 258.325 1.949 0 50 CDAA CCCn1ncc(C(=O)N2CC[C@]3(CCCNC3)C2)c1C 67740217 ADXMOESCLQTITC-INIZCTEOSA-N 290.411 1.817 0 50 CDAA CN(C)c1nc(N)nc(Nc2ccccc2OC(F)F)n1 22016292 NAYAANHDOCBPRX-UHFFFAOYSA-N 296.281 1.865 0 50 CDAA CCc1nsc(N(CC2CC2)C[C@H]2CN(C)CCO2)n1 328623204 BSORNQMOZNBJQW-GFCCVEGCSA-N 296.440 1.648 0 50 CDAA Cc1ccc(O[C@@H]2CCN(S(=O)(=O)C3CC3)C2)cn1 328635479 UVOOWOGJZJLWCQ-GFCCVEGCSA-N 282.365 1.335 0 50 CDAA CC1(C)OC(=O)N(CCc2ccccn2)[C@]1(C)O 1427410 USXHRKHUGCTOOH-CYBMUJFWSA-N 250.298 1.563 0 50 CDAA CN(C)[C@@H]1C[C@@H](CO)N(Cc2ccc3ccccc3n2)C1 215902481 IBPPOBZMLMGJAC-CVEARBPZSA-N 285.391 1.732 0 50 CDAA CCc1nc(CN2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)n[nH]1 328930529 AUAGCLCAOCDYMV-LALPHHSUSA-N 294.399 1.119 0 50 CDAA CCOc1cccc(S(=O)(=O)N2CC[C@@H]([C@H](C)O)C2)c1 282332351 OBFYKUNHIJDRCJ-NWDGAFQWSA-N 299.392 1.477 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cnn(C(C)C)c2)n[nH]1 77438427 CVXKXSYVUDTJNH-QMMMGPOBSA-N 262.317 1.382 0 50 CDAA COc1ccc(CNC2(CCO)CCN(C)CC2)cc1O 331133599 CCHULFZWCQBLLA-UHFFFAOYSA-N 294.395 1.337 0 50 CDAA COC[C@H]1CCCCN(CCN2CCO[C@H](C)C2)C1 253397227 LRMVODRVXHRKCK-CABCVRRESA-N 270.417 1.456 0 50 CDAA CCC[C@]12CCCN1C(=O)N([C@H]1CCN(CC)C1=O)C2=O 253429513 CXVMGLLCDKOHTI-XHDPSFHLSA-N 293.367 1.204 0 50 CDAA Cc1nn(CCO)c(C)c1CN(C)CCn1ccnc1C 215287058 CHTZBXBBGVLYSA-UHFFFAOYSA-N 291.399 1.129 0 50 CDAA CN(C)C(=O)c1ccc(CN2CCO[C@@H](C3CC3)C2)[nH]1 364507755 JCABMAVDYFDSBR-CQSZACIVSA-N 277.368 1.327 0 50 CDAA CC(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 39404041 IFRPMPMOIRLYIX-GFCCVEGCSA-N 258.277 1.184 0 50 CDAA biogenic C[C@@H]1CN(C(=O)C2(N)CC2)C[C@@H](c2ccsc2)O1 237552374 WWSCIWCJYLJSCA-KOLCDFICSA-N 266.366 1.528 0 50 CDAA CN(CC1CC(O)C1)C(=O)[C@H]1CCN(C2CCCCC2)C1 370463861 UIEFBLDBIYCYHQ-BBBYJDLNSA-N 294.439 1.870 0 50 CDAA C[C@@H](CN(C)C(=O)[C@H](c1ccccc1)C1CC1)c1nnn[nH]1 124615639 MYXNWPUGGCKZHW-SMDDNHRTSA-N 299.378 1.955 0 50 CDAA O=C(N[C@@H]1CNCCC1(F)F)c1scnc1C1CC1 335033434 PTGYIFAQJZVNQH-MRVPVSSYSA-N 287.335 1.748 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)[nH]1 335089025 DXQAKTNLFUVSGI-QWHCGFSZSA-N 261.369 1.798 0 50 CDAA CN(C)C[C@]1(O)CCCN(Cc2ccc(CCN)cc2)C1 72481050 MXDONCQUSGRAHX-QGZVFWFLSA-N 291.439 1.076 0 50 CDAA CCc1nc(CN2CC(C)(C)O[C@]3(CCOC3)C2)no1 373788350 AJNDIZAHOGATOD-CQSZACIVSA-N 281.356 1.402 0 50 CDAA O=C(c1cccc(-n2cccn2)c1)N1CC=C[C@H]1CO 77419837 WKALONOWVDHBPW-AWEZNQCLSA-N 269.304 1.245 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)NCc1cccc(OCC(=O)O)c1 262425549 HNAJQUQDZGEWIE-CHWSQXEVSA-N 293.319 1.191 0 50 CDAA CCO[C@@H]1COC[C@H]1N[C@H]1CCC[C@H](c2ccnn2C)C1 453379554 YVAJWXOZWHSLAH-TTZDDIAXSA-N 293.411 1.840 0 50 CDAA C[C@@H](NC(=O)c1ccncc1Cl)[C@@H](C)N1CCOCC1 174294329 NYMMGMPQELDOBM-GHMZBOCLSA-N 297.786 1.574 0 50 CDAA CN(C)c1nc(N)nc(CN2CC[C@@H]3CCCC[C@H]3C2)n1 241719799 QPSFFFLMPZYHNV-RYUDHWBXSA-N 290.415 1.532 0 50 CDAA CCc1ncc(NC(=O)NC2(CO)CCC2)cn1 178825850 IJDAMDUQCAICKS-UHFFFAOYSA-N 250.302 1.076 0 50 CDAA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccon3)CC2=O)cc1 82120174 RBAGFGWNMUTTGZ-LBPRGKRZSA-N 299.330 1.861 0 50 CDAA CN1N=C2C3CCN(CC3)[C@@H]2[C@H]1c1ccc2c(c1)OCO2 43161957 ZRLAKDQKFWWAAZ-CVEARBPZSA-N 285.347 1.852 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)Nc1ccc(OCC(F)F)cc1 263560240 BIWINHXAHUMNFC-ZJUUUORDSA-N 285.246 1.990 0 50 CDAA Cc1cscc1-c1cc(=N)[nH]c(N2CCOCC2)n1 426498815 ZYWMMLGTVUUPFY-UHFFFAOYSA-N 276.365 1.763 0 50 CDAA Cc1cnccc1CNC(=O)[C@H](C)N1CCCCC1 426487567 SJJSDTDCOPHZJK-ZDUSSCGKSA-N 261.369 1.881 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)N1CCN(C(C)C)CC1 426477176 HSFNXYLZYJKGSJ-NSHDSACASA-N 293.415 1.823 0 50 CDAA CCN1CCC[C@H]1CSc1nnc(CNC)n1C 426433511 BKROXLOGJPUOPN-JTQLQIEISA-N 269.418 1.111 0 50 CDAA Cn1cncc1-c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 426563175 UAAILNZWSZPFMB-AWEZNQCLSA-N 285.347 1.996 0 50 CDAA CC1(C)C[C@H](C(=O)NCc2ccc(C(=O)O)o2)CCO1 426527743 JAHOWNDFYMUSRW-SECBINFHSA-N 281.308 1.799 0 50 CDAA O=C(c1ccc2c(c1)CCCO2)N1CCn2cncc2C1 426575044 OXHJBTXOCYTRGH-UHFFFAOYSA-N 283.331 1.864 0 50 CDAA Cc1cc(CN(C)C(=O)c2ncn(C(C)(C)C)n2)no1 292625381 NTZYTXMZTPGSGR-UHFFFAOYSA-N 277.328 1.602 0 50 CDAA CCc1cc(O)nc(CN2CC[C@@]3(CCCN(C)C3)C2)n1 292978423 MUPBPVLBINHKBH-MRXNPFEDSA-N 290.411 1.662 0 50 CDAA CCN1CCC[C@@](C)(CN2CCC[C@H](CO)C2)C1 199296805 XJCQVGGYQAVAFX-LSDHHAIUSA-N 254.418 1.813 0 50 CDAA CCCn1cc(C(=O)N2C[C@H](C(C)C)[C@@H](N)C2)c(C)n1 91877146 DKLMSABBPIZDFX-OCCSQVGLSA-N 278.400 1.657 0 50 CDAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)CN)c1C 91847290 XRFBORDNYDAPEG-CQSZACIVSA-N 298.390 1.941 0 50 CDAA O=C(NCCCn1cncn1)c1ccc2cccc(F)c2n1 91433801 NTCMPXQNDOILFH-UHFFFAOYSA-N 299.309 1.786 0 50 CDAA CCOC(=O)C(C(=O)OCC)c1ccnc(Cl)n1 96028558 ZXEOXAINQLLLAK-UHFFFAOYSA-N 272.688 1.340 0 50 CDAA c1cc2[nH]nnc2cc1-c1nc([C@@H]2CCOC2)no1 96163308 HMQFFHWOROJXOB-MRVPVSSYSA-N 257.253 1.512 0 50 CDAA COC(=O)CN1CCN(c2ccc(C)cc2)[C@H](C)C1 239125205 KCNSHWUUJWPSGJ-CYBMUJFWSA-N 262.353 1.679 0 50 CDAA Cc1cc(CN2CC3(CCNCC3)CCC2=O)ccn1 91769756 QCXLJGZSXQUSHZ-UHFFFAOYSA-N 273.380 1.882 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 237466848 FLAVWGBEFKOFTB-RWMBFGLXSA-N 253.390 1.057 0 50 CDAA CCN(C)[C@@H](C)CCNC(=O)N(C)Cc1ncc[nH]1 534586267 JSTSCBCDPIRKPK-NSHDSACASA-N 267.377 1.281 0 50 CDAA CC[C@H](CNC(=O)N(C)Cc1ncc(C)[nH]1)N(C)CC 534653352 ODFMKYUPXFPHSX-GFCCVEGCSA-N 281.404 1.590 0 50 CDAA CCN(C)C1(CNC(=O)C[C@@H]2CCOC2)CCCC1 534631011 ALNJVDQFRRVYRA-ZDUSSCGKSA-N 268.401 1.794 0 50 CDAA CC(=O)N[C@H](Cc1ccc(-c2cccnc2)cc1)C(=O)O 534642940 QVDRIVCWANHSHB-OAHLLOKOSA-N 284.315 1.880 0 50 CDAA Cc1ncn(C)c1C(=O)N1CCC(CC(=O)N(C)C)CC1 299777452 MYJIRWCGVDHPKH-UHFFFAOYSA-N 292.383 1.059 0 50 CDAA C[C@H](CN(C)C)NCc1nncn1C1CCCCC1 821209130 VXAGZXNYXHGUNF-GFCCVEGCSA-N 265.405 1.823 0 50 CDAA CC[C@H](NC(=O)N1CC(O)C1)c1nc(C)c(C)s1 584901680 RWCYNPYGLHKOLB-JTQLQIEISA-N 269.370 1.597 0 50 CDAA CSC[C@@H]1CCCN(C(=O)c2noc(C)c2CO)C1 584887432 NFZFZVZQAUAYCE-SNVBAGLBSA-N 284.381 1.691 0 50 CDAA O=C(O)c1ncc[nH]c1=NC[C@@H]1CCN(C2CCCC2)C1 584900299 VONXMSNQBOOTTN-NSHDSACASA-N 290.367 1.273 0 50 CDAA O=C(CCn1ccnn1)N1CCOc2cccc(F)c21 268705825 ADAUVVASQOQYGA-UHFFFAOYSA-N 276.271 1.233 0 50 CDAA CCN1C[C@@H](CN(C)Cc2[nH]cc(C)c(=O)c2C)CC1=O 670446892 IQJSEUVOFNWXEK-CYBMUJFWSA-N 291.395 1.292 0 50 CDAA CN1CCOC[C@H](CNC(=O)c2ccncc2Cl)C1 584901822 SRKQYDXIXRSLMN-SNVBAGLBSA-N 283.759 1.043 0 50 CDAA O=C(NC[C@H]1CCOC1)c1csc(-c2ccncc2)n1 163868586 GRMFDOIZVDXNGN-SNVBAGLBSA-N 289.360 1.971 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 268962416 AHFYYJDQBFHOAI-AVGNSLFASA-N 293.294 1.241 0 50 CDAA COc1ccc(C(=O)N2CCC[C@H]2Cc2ccnn2C)o1 1551923159 ZTUALOPJZSJPBX-LBPRGKRZSA-N 289.335 1.869 0 50 CDAA CC(C)(C)c1ncc(CNc2n[nH]cc2C(N)=O)cn1 952848444 GBXAYCUBIYQVOA-UHFFFAOYSA-N 274.328 1.208 0 50 CDAA Cc1ncoc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952849634 YVUPCSNGWYXBDC-WDEREUQCSA-N 276.296 1.436 0 50 CDAA Cc1cc(N(C)Cc2noc(C3CCOCC3)n2)n[nH]1 1875270067 PJJXXFZOZRICOI-UHFFFAOYSA-N 277.328 1.632 0 50 CDAA Cn1nccc1[C@H]1CC[C@@](C(=O)O)(n2ccnc2)C1 1875280768 QDBQESXIRXASNO-GXFFZTMASA-N 260.297 1.364 0 50 CDAA CC(C)(C)c1nnc(C(=O)N2CC[C@@H](c3cc[nH]n3)C2)o1 1875282466 GGSXPJJIIDMYSI-SECBINFHSA-N 289.339 1.720 0 50 CDAA CCN1C[C@H]2C[C@@H]1CN2C(=O)Nc1ccc2n[nH]cc2c1 1875277443 LVRISZISWGFWQR-CHWSQXEVSA-N 285.351 1.873 0 50 CDAA O=C(N[C@@H](Cc1ccccn1)C(=O)O)C1CCCCC1 1875337734 DKRQYCXIDUPUGS-ZDUSSCGKSA-N 276.336 1.774 0 50 CDAA C=CC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 1875366464 MAWUWGVUTNAGJZ-KBPBESRZSA-N 261.321 1.524 0 50 CDAA C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CCO1 1875311262 RTUHRTVIGWMDGI-IQMQYZSSSA-N 267.325 1.027 0 50 CDAA O=C(O)CC1(N2Cc3ccccc3C2=O)CCOCC1 950756019 PIRPHINYBXHJBE-UHFFFAOYSA-N 275.304 1.666 0 50 CDAA C[C@]1(C(=O)O)CCCCN1C(=O)CCc1ccncc1 132780072 SCMPETIOVXPJFW-OAHLLOKOSA-N 276.336 1.870 0 50 CDAA COC1CCC(NC(=O)[C@H]2NCC23CCCC3)CC1 1522150551 NXFGQVNPTRDUTH-WXRRBKDZSA-N 266.385 1.592 0 50 CDAA CC[C@@H]1CN(C[C@H]2CCCCO2)CCN1CCOC 247134671 KPPNWDCVDXNCCP-HUUCEWRRSA-N 270.417 1.598 0 50 CDAA COC(=O)c1nn(Cc2c(C)cccc2C)cc1CO 1775993431 QJIWXRZVHMSQQN-UHFFFAOYSA-N 274.320 1.827 0 50 CDAA O=C(C[C@@H]1CCCO1)N1c2ccncc2N2CC[C@H]1C2 1775999984 MNTCRNBGXRPTGR-RYUDHWBXSA-N 273.336 1.576 0 50 CDAA CC1(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 1776002340 IOYQLNPIQMRKBZ-UHFFFAOYSA-N 287.294 1.654 0 50 CDAA CC(C)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1565505578 SKXRLOMTDJVECG-RYUDHWBXSA-N 255.387 1.076 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 1565514248 KZFYZOZEZVMUCX-STQMWFEESA-N 285.290 1.427 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 1565508727 ZIXWNLBNHZGLKC-TUAOUCFPSA-N 257.337 1.815 0 50 CDAA CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 95626800 KBVJLYZEMMZQJU-QWRGUYRKSA-N 273.329 1.167 0 50 CDAA in-vitro O=C(C[C@H]1CCS(=O)(=O)C1)NOCc1ccccc1 170121212 YZOGKYOBPYERNL-GFCCVEGCSA-N 283.349 1.059 0 50 CDAA O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 636329136 IZCOVAARBRSEMY-FWZIUSJTSA-N 289.379 1.665 0 50 CDAA O=C(NC1(CO)CCSCC1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 585090493 VILWEDKDGRLWQA-FRRDWIJNSA-N 281.421 1.963 0 50 CDAA COCc1nc(C)cc(=NCc2cc3n(n2)CCCC3)[nH]1 585092168 HVDVHVRKHCGEOH-UHFFFAOYSA-N 287.367 1.498 0 50 CDAA O=C(CCc1ccncc1)NCC[S@](=O)C(F)(F)F 585131151 MYTLKEZRHCZBAT-IBGZPJMESA-N 294.298 1.399 0 50 CDAA O=C(CN1C[C@@H]2C[C@@]2(O)C1)Nc1ccc2c(c1)CCC2 640475624 FAURFVVAYFJFLT-XJKSGUPXSA-N 272.348 1.180 0 50 CDAA CCc1noc(C)c1CN1CCC[C@]1(COC)C(N)=O 643823943 FMFRIQZMIMASTG-AWEZNQCLSA-N 281.356 1.012 0 50 CDAA CC(C)(C)CCS(=O)(=O)N[C@@H]1CC12CCOCC2 650211511 KTGBVJJOJWFBKE-LLVKDONJSA-N 275.414 1.911 0 50 CDAA CN(CCn1cccn1)Cc1ccsc1C(=O)O 574524445 AUMSVKBFTISFLO-UHFFFAOYSA-N 265.338 1.775 0 50 CDAA Cc1nnc(SCC(=O)NCCCc2ccco2)o1 1506408864 YFKFGQWEIBBMSN-UHFFFAOYSA-N 281.337 1.812 0 50 CDAA CCS(=O)(=O)CC(=O)N=[S@@](C)(=O)C1CCCCC1 926007722 QFXNIAJYMNGPLR-KRWDZBQOSA-N 295.426 1.378 0 50 CDAA CCCc1cnc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)nc1 1704339362 RNALCLVXHMYMEN-UKRRQHHQSA-N 299.378 1.259 0 50 CDAA CCn1cncc1CN1CCN2C(=O)OC[C@@]2(CC)C1 1857667435 JBXAWVFUVYJCIJ-CQSZACIVSA-N 278.356 1.320 0 50 CDAA COc1cnc(C)cc1C(=O)NCCc1ccnn1C 1857679560 MVPRFZLLLYPMPF-UHFFFAOYSA-N 274.324 1.105 0 50 CDAA O=C1CN(CC[C@@H]2COCCO2)CCN1C1CCCCC1 1857693703 ISKKOZGEXGVGHN-OAHLLOKOSA-N 296.411 1.269 0 50 CDAA O=C(c1cscn1)N1CCC(O)(C(F)(F)F)CC1 301705665 RVLNMVCPIMZUPF-UHFFFAOYSA-N 280.271 1.673 0 50 CDAA COc1ncccc1NS(=O)(=O)C[C@@H]1CCCCO1 110097454 QXNCSBPYNQKGOM-JTQLQIEISA-N 286.353 1.401 0 50 CDAA CN(Cc1ncon1)C(=O)c1ccncc1Cl 622487639 MHCKPDCEGMXUIZ-UHFFFAOYSA-N 252.661 1.390 0 50 CDAA O=C(CSc1nccc(=O)[nH]1)Nc1cccc(O)c1 5238145 YBDNGLKVLZIILW-UHFFFAOYSA-N 277.305 1.206 0 50 CDAA C[C@@H]1CN(C(=O)CO[C@H]2CCCC[C@H]2C)CCN1 429342578 ACWTUKHACZLNOO-UPJWGTAASA-N 254.374 1.402 0 50 CDAA C[C@H](CN(C)CCOCc1ccccc1)N1CCOCC1 1529168157 XBTDLXFEFVFFMU-MRXNPFEDSA-N 292.423 1.856 0 50 CDAA CCCS(=O)(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 249695592 RFNYQIDRRWCEMC-XQQFMLRXSA-N 272.414 1.142 0 50 CDAA Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1ccccc1 11690466 OKIAGEBDCGVIEU-ZDUSSCGKSA-N 286.335 1.485 0 50 CDAA O=C1CCCN1c1ccc(S(=O)(=O)NC2CC2)cc1 12001845 JUJCWPLZGQJMNW-UHFFFAOYSA-N 280.349 1.254 0 50 CDAA C[C@H]1CN2C[C@H](NC(=O)c3ccc(F)cc3)C[C@H]2CO1 1857720180 IDBMGAOAUXNAQS-GDLCADMTSA-N 278.327 1.417 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)c1cccn3cnnc13)C2 1857680841 WDSPWPYSPUERLY-UHFFFAOYSA-N 279.303 1.589 0 50 CDAA O=C(NCc1cccc2[nH]ccc12)[C@H]1CCc2ncnn2C1 1857739525 MORZPRMZLMTCFJ-LBPRGKRZSA-N 295.346 1.638 0 50 CDAA CC(C)[C@H]1CN(C)CCN1C(=O)c1cc2cccnc2[nH]1 334827510 JZTHPVOIWYZHRT-CQSZACIVSA-N 286.379 1.975 0 50 CDAA Cc1n[nH]cc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 334802797 RVCBVVNGFKIDQF-TZMCWYRMSA-N 289.310 1.805 0 50 CDAA O=C(O)CCC(=O)c1ccc2c(c1)OCCCO2 3888072 RQYNFIARXFWNDM-UHFFFAOYSA-N 250.250 1.895 0 50 CDAA biogenic,in-vitro CC(C)c1cc(C(=O)N[C@]2(C)CCOC2)cc(O)n1 121701116 VLAUICGWADXMTF-CQSZACIVSA-N 264.325 1.819 0 50 CDAA O=C(NCCCO)C(O)(c1ccccc1)c1ccccc1 5515736 QOIYLYAWKCQRCJ-UHFFFAOYSA-N 285.343 1.421 0 50 CDAA O=C(O)c1cc(O)ccc1I 5511745 QTYOSOIAZLKAGU-UHFFFAOYSA-N 264.018 1.695 0 50 CDAA in-vitro COC[C@@H](NC(=O)N1CCOC2(CCCC2)C1)C1CC1 126583579 NNHYCTSFSORKJF-CYBMUJFWSA-N 282.384 1.766 0 50 CDAA N=c1cc(CN2Cc3ccccc3[C@@H](C(=O)O)C2)cc[nH]1 652470118 OBWDFPFBMOBLST-AWEZNQCLSA-N 283.331 1.678 0 50 CDAA COCCN1C[C@@H]2CC[C@H]1CN(Cc1csc(C)n1)C2 247948894 JJANNDWDNHPIAF-HIFRSBDPSA-N 295.452 1.994 0 50 CDAA O=C(c1cnc(-c2ccccc2)nc1)N1C[C@H](O)C2(CC2)C1 375290213 XBHSBERDCJLGIN-AWEZNQCLSA-N 295.342 1.741 0 50 CDAA C[C@@H](NC(=O)c1ccc(O)cc1F)[C@H]1CCOC1 164086098 YZNMOMNIQPTZJC-BDAKNGLRSA-N 253.273 1.686 0 50 CDAA Cn1ncc(-c2nc(Cc3ccc4n[nH]cc4c3)no2)n1 809496726 VYIWGQXJEQXYKX-UHFFFAOYSA-N 281.279 1.332 0 50 CDAA O=C(N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)C1CSC1 912202107 HPSXTRLPMDJOLV-NEPJUHHUSA-N 285.409 1.176 0 50 CDAA Cn1cncc1CCC(=O)NC[C@]12CCC[C@H]1OCC2 830769863 JCCORAXIIDBUAR-UKRRQHHQSA-N 277.368 1.428 0 50 CDAA Cc1cccnc1[C@H](NCc1nnn(C)n1)C(C)(C)C 934287614 FVJPDRPKRRNNES-ZDUSSCGKSA-N 274.372 1.791 0 50 CDAA O=C(Cc1ccc(F)cc1)N1CC[C@H]2CCNC[C@@H]2C1 1875273997 SWNYBMDHDHPDPF-ZIAGYGMSSA-N 276.355 1.826 0 50 CDAA OC[C@H]1CCN(Cc2ccnn2-c2ccccc2)C[C@@H]1O 1140526335 OPVHROPGMNUFMV-CJNGLKHVSA-N 287.363 1.047 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2nnc(S)o2)C1 1857780165 PHRUINONZFVPRT-UHFFFAOYSA-N 257.315 1.693 0 50 CDAA CC(C)C[C@@H](CN)NC(=O)c1[nH]nc2ccccc12 111829310 RTRBYQZATOGQIS-JTQLQIEISA-N 260.341 1.666 0 50 CDAA C[C@]1([C@H]2CCCN([C@@H]3C=CCCC3)C2)NC(=O)NC1=O 229312148 HCGPVEXOWMICBB-YWPYICTPSA-N 277.368 1.405 0 50 CDAA Cn1cnc2cc(C(=O)N3CC(C(C)(C)O)C3)ccc21 275715361 WMMLDUXIUVNPIT-UHFFFAOYSA-N 273.336 1.416 0 50 CDAA C[C@@H]1C[C@@H](C)N(C(=O)c2cnn3c2CCC3)C[C@H]1CN 333802348 HZRIOSMHLSHOPI-IJLUTSLNSA-N 276.384 1.275 0 50 CDAA O=C1CCCN1CCN1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 337286700 KRXPCMLZXVRXOU-ZNMIVQPWSA-N 280.412 1.624 0 50 CDAA CN(C)CCSc1nc(O)c(-c2ccccc2)c(=O)[nH]1 95531930 XKIDWFKNNDFENP-UHFFFAOYSA-N 291.376 1.796 0 50 CDAA Cc1nccn1CCNC(=O)[C@@H]1CCC[C@H](C(=O)O)C1 380544151 WKOQYWMYEBRVLO-NEPJUHHUSA-N 279.340 1.199 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](O)CC(C)(C)C1 395372705 GJHDMADUHXULLU-GFCCVEGCSA-N 279.384 1.579 0 50 CDAA Cn1nccc1[C@H]1CCCN1Cc1ccc(N)nc1 932261180 IBNPWXPAMKITJN-CYBMUJFWSA-N 257.341 1.734 0 50 CDAA COc1cc2c(cc1-c1ncnc3[nH]ncc13)OCO2 2100540538 LEXRVHNKANHUJG-UHFFFAOYSA-N 270.248 1.757 0 50 CDAA COC[C@@H]1CN=C(NC[C@H](Nc2ccccc2)C(C)C)N1 2325826661 IWCFEZHDVUYAPG-GJZGRUSLSA-N 290.411 1.687 0 50 CDAA Oc1cccc(OCc2cn(Cc3ncccn3)nn2)c1 2325863769 WBSBTSNTZMFCED-UHFFFAOYSA-N 283.291 1.401 0 50 CDAA COc1ccc(C(=O)CSc2nncn2C)cc1 53415 VSKKWDMIDTVZIW-UHFFFAOYSA-N 263.322 1.799 0 50 CDAA Cc1cc(N2CCCCC2)nc(N2CCOCC2)n1 73494 WGDWWOAMIRSBCZ-UHFFFAOYSA-N 262.357 1.612 0 50 CDAA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1 186651 IRDWRBVQUOPRJU-UHFFFAOYSA-N 259.305 1.908 0 50 CDAA O=C(c1ccccc1)N1CCN(C(=O)c2cccnc2)CC1 227663 FUFKZHOAPIHWOU-UHFFFAOYSA-N 295.342 1.680 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@H](c2cccnc2)S1 447956 SAHOYASMQQJYDN-JTQLQIEISA-N 264.310 1.083 0 50 CDAA CN(C)N1C(=O)C[C@@H](Nc2ccc(Cl)cc2)C1=O 857241 MQKAYMHAEFNTBB-SNVBAGLBSA-N 267.716 1.356 0 50 CDAA COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O 2033450 UWVQIROCRJWDKL-UHFFFAOYSA-N 278.308 1.650 0 50 CDAA in-vitro Cc1cc(OCC(=O)NCCO)cc(C)c1Cl 2071987 YAPSORZJDOEXQD-UHFFFAOYSA-N 257.717 1.444 0 50 CDAA C[C@@H](O)C(CCCO)(CCCO)c1ccccc1 2167210 WBKFIDCJMNJSAN-CYBMUJFWSA-N 252.354 1.850 0 50 CDAA Cc1cccc(OC[C@H](O)CNC(C)(C)CO)c1C 2851458 AOEIEHYJEGXZOI-CYBMUJFWSA-N 267.369 1.404 0 50 CDAA CC(C)c1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 4019695 ZUJGXFRFKXBIRG-UHFFFAOYSA-N 298.346 1.751 0 50 CDAA Cc1ncccc1C(=O)N1CCC[C@]12CCCN(C)C2=O 2356164720 DSBXRTQXDBVAFA-INIZCTEOSA-N 287.363 1.617 0 50 CDAA COC(=O)Cn1c(=O)cc(C)c2c(OC)ccc(OC)c21 4784333 CASHKHGMIPNUBB-UHFFFAOYSA-N 291.303 1.500 0 50 CDAA Cc1ccnc(N2CCN(c3nc4ccccc4[nH]3)CC2)n1 225561046 FHBUTBKJSOKVPL-UHFFFAOYSA-N 294.362 1.988 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)O)C1 23508836 YYLYNLCAWXUCDY-SECBINFHSA-N 259.302 1.487 0 50 CDAA Cn1ccc(CCC(=O)N2CCc3ccccc3[C@@H]2CO)n1 343942422 FDCYNSXHZGODGR-INIZCTEOSA-N 299.374 1.471 0 50 CDAA C[C@@H](Sc1ccccn1)C(=O)NCCc1ncc[nH]1 175834574 KFARBGIMCMZGBJ-SNVBAGLBSA-N 276.365 1.644 0 50 CDAA CCn1cc(CNC(=O)Cc2noc3ccccc23)cn1 20451738 XYHLMZOYVPGWCT-UHFFFAOYSA-N 284.319 1.903 0 50 CDAA O=c1c2n[nH]c(=S)n2ccn1Cc1ccccc1F 109652594 BHVKISSJDLWSDE-UHFFFAOYSA-N 276.296 1.741 0 50 CDAA O=C(CCN1CCCCO1)NCCCCN1CCCC1 63884697 OWOONPDAWLQZQD-UHFFFAOYSA-N 283.416 1.396 0 50 CDAA CC(C)N1CCC(C(=O)NCCSc2ncn[nH]2)CC1 65434060 FQXHCBFAEOZREB-UHFFFAOYSA-N 297.428 1.133 0 50 CDAA CN1CC[C@H](CNC(=O)CCc2cccs2)C1 66652270 XSHJYLFIEVKNJK-LLVKDONJSA-N 252.383 1.749 0 50 CDAA Cn1cncc1C(=O)NCc1c[nH]nc1-c1ccccc1 20994707 YZINSGCPWGQVMS-UHFFFAOYSA-N 281.319 1.740 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCNC[C@@H]2C)s1 125972004 KMMVKFCGOHLEEC-NWALNABHSA-N 251.355 1.285 0 50 CDAA Cc1noc(C)c1CNC(=O)Cn1nc2ccccc2n1 67691758 SNENENPXBVNWBU-UHFFFAOYSA-N 285.307 1.353 0 50 CDAA C[C@@H](CO)NCC1CCN(CCc2ccccc2)CC1 65417349 DFDDWUDVUNDSST-HNNXBMFYSA-N 276.424 1.912 0 50 CDAA CC1(C)[C@H](NC(=O)NCCCOCC2CC2)[C@@H]2CCO[C@H]21 230088457 ITFBPGXBVDXZQX-BFHYXJOUSA-N 296.411 1.916 0 50 CDAA Cc1cc(=O)c(OCC2(CS(C)(=O)=O)CC2)co1 331912155 DCHCADTUDSSDGA-UHFFFAOYSA-N 272.322 1.152 0 50 CDAA CC(C)Nc1ncccc1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C 282122479 HTKMBLNJKZTBEI-ZYHUDNBSSA-N 290.367 1.299 0 50 CDAA CN(Cc1csc(-c2cccs2)n1)C[C@@H](O)CO 65461482 RUGPLBBLGMAPFB-SNVBAGLBSA-N 284.406 1.657 0 50 CDAA C[C@H](CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C1CC1 252673353 RBQKEXFETBDUKI-BPLDGKMQSA-N 280.412 1.480 0 50 CDAA O=P(O)(O)CCCCCCCCP(=O)(O)O 34744001 VRAVNKVHQXXAQW-UHFFFAOYSA-N 274.190 1.682 0 50 CDAA CCN(CC(F)(F)F)C(=O)[C@H]1CC12CCNCC2 70255778 OFDNAXLYPLWQQN-SECBINFHSA-N 264.291 1.787 0 50 CDAA CCn1cc(CCn2nc(C(C)(C)C)ccc2=O)cn1 330552785 DEWCEXWFSFHGBK-UHFFFAOYSA-N 274.368 2.000 0 50 CDAA CC[C@H](C)OCC(=O)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O 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C[C@@H]1CCN(C[C@H](O)COC[C@@H]2CCCO2)C[C@H](C)C1 305208596 DPMGURSSNBNWOV-WCVJEAGWSA-N 285.428 1.911 0 50 CDAA CC(=O)N[C@H]1CCCN(c2ccc(F)cc2F)C1=O 2325772244 FMBHKPLQVQWWNZ-NSHDSACASA-N 268.263 1.596 0 50 CDAA O=C(O)[C@@H]1CN(S(=O)(=O)c2ccco2)CC(F)(F)C1 2325773124 VKSHVGYXPGGSEI-ZETCQYMHSA-N 295.263 1.010 0 50 CDAA C[C@@H]1C[C@H]2CN(C(=O)c3cc[nH]c4nccc3-4)CCN2C1 2325796575 ZGGGZXPYBQCWMJ-NEPJUHHUSA-N 284.363 1.681 0 50 CDAA O=C1CN(C(=O)[C@H]2C[C@@](F)(CO)C2)Cc2ccccc2N1 2325805383 DJRLODOWLXZEAS-FUKZOUPISA-N 292.310 1.078 0 50 CDAA CC(C)(C)n1ncc2c(=O)[nH]c(NCc3ccncc3)nc21 130621536 NHLCTEVCJPTLOI-UHFFFAOYSA-N 298.350 1.882 0 50 CDAA COC(=O)c1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1 127882 ASAYCBZOZLTZEN-UWVGGRQHSA-N 267.306 1.261 0 50 CDAA O=S(=O)(NC[C@H]1CCCO1)c1cccc2cccnc12 89491 JHXQMSIJNVPFRN-GFCCVEGCSA-N 292.360 1.692 0 50 CDAA CN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 93900 AXONVSGLFJYKHU-MRXNPFEDSA-N 282.299 1.519 0 50 CDAA C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCNC1=O 316458 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1.006 0 50 CDAA CCCOCC(=O)NCc1ccc(C(=O)N(C)C)o1 534644855 ZEMCNJZRPMAGAN-UHFFFAOYSA-N 268.313 1.024 0 50 CDAA CC(C)c1cc(CNC(=O)C2CCOCC2)no1 534674039 IIXVDYQPQDTZBE-UHFFFAOYSA-N 252.314 1.841 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)Cn1nc(C)cc1C 534667445 QBXQEYHTGPRUMB-LBPRGKRZSA-N 290.371 1.379 0 50 CDAA CO[C@H]1CN(C)C[C@@H]1NC(=O)CCCc1cccs1 534629730 LBXVBZKFCJBSLY-STQMWFEESA-N 282.409 1.516 0 50 CDAA CC(C)c1ocnc1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534640827 CVHBPIRZPVGQJN-NXEZZACHSA-N 277.324 1.348 0 50 CDAA CSCC[C@H](O)C(=O)NCc1nc2cc(C)ccc2[nH]1 277059958 OPXFANMOWNNKGL-LBPRGKRZSA-N 293.392 1.602 0 50 CDAA O=C(NC[C@]1(O)CCNC1)c1cccc(-c2ccncc2)c1 299790750 BPBYGWNNLDFJLS-KRWDZBQOSA-N 297.358 1.203 0 50 CDAA O=C(CN1CCC[C@H](O)C1)N1CCC2(CCCC2)C1 584892199 DTXXMQBVLSIETK-ZDUSSCGKSA-N 266.385 1.236 0 50 CDAA CC1(C)CC(NCCc2ncc[nH]2)CC(C)(C)N1 822293574 POIRYTYCFXWEOM-UHFFFAOYSA-N 250.390 1.851 0 50 CDAA COc1ccc(S(=O)(=O)Nc2cn(C)cn2)cc1C 585136419 FLENUNMCOUZUBN-UHFFFAOYSA-N 281.337 1.538 0 50 CDAA COc1c(F)cccc1C(=O)NC1(C(N)=O)CCCCC1 584897136 MYCGFLIINCNIGD-UHFFFAOYSA-N 294.326 1.752 0 50 CDAA CC(C)C[C@H](NC(=O)c1ccc2nonc2c1)C(=O)O 585135133 ZDHVBCRBUJOWGN-NSHDSACASA-N 277.280 1.452 0 50 CDAA Cc1csc(CNC(=O)c2cnn3ccn(C)c23)n1 670454109 RXPUHEDHJNWYRB-UHFFFAOYSA-N 275.337 1.368 0 50 CDAA CCCCc1ncc(CN(C)C[C@H]2CC(=O)N(C)C2)[nH]1 670469387 NMRNSDLIFYJQPP-GFCCVEGCSA-N 278.400 1.662 0 50 CDAA O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239439158 ZMVQYLUXIYDAKS-KKOKHZNYSA-N 293.706 1.933 0 50 CDAA C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1cnn(C)n1 863982542 SLRWUPONBNITPE-TZMCWYRMSA-N 289.383 1.896 0 50 CDAA c1ccc(Cn2nnnc2N2CCC[C@H]2[C@@H]2CCCO2)cc1 952850497 XITSLKIRUIIKPN-GJZGRUSLSA-N 299.378 1.869 0 50 CDAA CN(Cc1cscn1)S(=O)(=O)C[C@@H]1C[C@H]1C(F)F 1875289723 KXAQUFJWAAEJQC-IONNQARKSA-N 296.364 1.806 0 50 CDAA COCc1nc(=NC(=O)c2snnc2C(C)C)s[nH]1 1875276018 COMCPLJCMXKSRF-UHFFFAOYSA-N 299.381 1.334 0 50 CDAA COCc1noc(COc2cccc3ocnc23)n1 1875298711 LAEFAWYIWZRWSJ-UHFFFAOYSA-N 261.237 1.936 0 50 CDAA Cc1cc(S(N)(=O)=O)sc1-c1cnn(C)c1 1875349704 JLYCXJLSCNIZSH-UHFFFAOYSA-N 257.340 1.104 0 50 CDAA CC(C)c1ccc(CC(=O)N2CC[C@H]2C(N)=O)cc1 1875306944 QLALCYKYBUFZRE-ZDUSSCGKSA-N 260.337 1.439 0 50 CDAA COC(=O)[C@@]12CC[C@@H](N3CCC[C@@]4(CCCO4)C3)[C@@H]1C2 1875321605 OFPWBIXUZJLQBY-SJXGUFTOSA-N 279.380 1.973 0 50 CDAA O=C(CC1=CCCC1)NS(=O)(=O)[C@H]1C[C@H]2CC[C@H]1O2 1875306469 HTIKHHZBLGLRQN-UTUOFQBUSA-N 285.365 1.253 0 50 CDAA COCc1noc([C@@H](C)NC(=O)N2CCCC2)n1 1875324184 LFZZJHAPJFIZMD-MRVPVSSYSA-N 254.290 1.082 0 50 CDAA CCOc1ccc(CN(CC)C(=O)[C@H]2CCN2)cc1 952964277 PAWGKNMMUXDALL-CQSZACIVSA-N 262.353 1.796 0 50 CDAA CC(C)c1nc(CN2CC[C@@]3(C2)CN(C)C(=O)CO3)co1 885938871 CZZJHEWZRALCCY-HNNXBMFYSA-N 293.367 1.231 0 50 CDAA Cc1[nH]c2c(C)ccc(C)c2c1Cc1nc(CC(N)=O)n[nH]1 952862118 MGSXXGXJGGJOEY-UHFFFAOYSA-N 297.362 1.830 0 50 CDAA CCn1cc(CN2CCO[C@H](C)[C@H]2c2nc(C)no2)cn1 886029145 WRXPNUWRMYTCNA-MFKMUULPSA-N 291.355 1.556 0 50 CDAA Cc1cnc(C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)cc1C 1340676207 IFTKFYZNQBMXSR-SWLSCSKDSA-N 259.353 1.652 0 50 CDAA CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1nc(C2CC2)no1 268929774 XUOVDKMMJCNFQS-UTLUCORTSA-N 293.323 1.481 0 50 CDAA CC(C)(C)c1nc(C(=O)N=[S@](C)(=O)CCO)cs1 1775999230 RPKCBAONSCIHSD-GOSISDBHSA-N 290.410 1.671 0 50 CDAA CCC[C@H]1CN(c2nc(N)nc3c2CCC3)C[C@@H]1C(=O)O 1565507227 WZLHSTFNBXXJTE-ONGXEEELSA-N 290.367 1.485 0 50 CDAA CC[C@H](C)[C@H](C(=O)Nc1ccc(Cl)cn1)n1cnnn1 1565520625 YUYBKVLZDLDDJU-GZMMTYOYSA-N 294.746 1.947 0 50 CDAA CCc1c(C(=O)N2CC[C@H](CN)C2)cnn1C(C)(C)C 269176699 YOPWOKGOCYSRCH-LLVKDONJSA-N 278.400 1.621 0 50 CDAA Cc1nnc([C@@H](C)N2CCC[C@](O)(C(F)(F)F)C2)o1 408188175 DITPJUAMNAIUAO-GMSGAONNSA-N 279.262 1.828 0 50 CDAA CC(C)Cn1cc(CN2C[C@@H](C)[C@H](C(N)=O)C2)cn1 408473919 RYLIIVHCLXBLHT-DGCLKSJQSA-N 264.373 1.092 0 50 CDAA CN(C)c1n[nH]c(CN[C@H]2CCc3cccnc3CC2)n1 1364637821 QIJGYAUYFBIYHL-LBPRGKRZSA-N 286.383 1.303 0 50 CDAA NS(=O)(=O)c1ccc(-n2cc(C3CCC3)nn2)cc1 899683671 QXYJAXMMEXFYTA-UHFFFAOYSA-N 278.337 1.182 0 50 CDAA O=C(NCC[C@H]1CCCO1)NC[C@H]1CCn2ccnc2C1 583623939 XFQIOLXAWQWUTL-QWHCGFSZSA-N 292.383 1.314 0 50 CDAA CN(CCOCC1CC1)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275844990 IILSLUYNSJEHKW-GFCCVEGCSA-N 293.367 1.412 0 50 CDAA O=C(N=c1cc2n([nH]1)CCCC2)c1occ2c1CCC2 585082619 RSLXODWBINTCOG-UHFFFAOYSA-N 271.320 1.975 0 50 CDAA CC[C@@H](N=c1[nH]ccn2cnnc12)[C@H]1CCCCO1 585091347 VAVDZHZOQOOQIP-GHMZBOCLSA-N 261.329 1.306 0 50 CDAA C[C@@H]1CC(NC(=O)c2cnn3c(=O)cc[nH]c23)C[C@@H](C)C1 585114126 INSULLCBOMCKNC-UWVGGRQHSA-N 288.351 1.577 0 50 CDAA C[C@H](N[C@H]1CCCNC(=O)C1)[C@H](c1ccccc1)N(C)C 585116904 MCGGYGOXRBGGHZ-JLJPHGGASA-N 289.423 1.936 0 50 CDAA C[C@@]1(C(=O)N2CCC[C@@H](CN)C2)CC1(Cl)Cl 170676624 QCSWJRHAHRHLBI-WPRPVWTQSA-N 265.184 1.768 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 188232569 FSOSQCJKFPLERB-GWCFXTLKSA-N 276.336 1.217 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc(C)oc1C 643945768 NRXYFQXNLILPCS-CQSZACIVSA-N 280.324 1.003 0 50 CDAA CCc1cccc(NC(=O)CN2C[C@H](C)O[C@H](CO)C2)c1 191778659 GLNADLSTWZBNDA-WFASDCNBSA-N 292.379 1.269 0 50 CDAA C[C@H](CN(C)C(=O)c1coc(C2CCOCC2)n1)C(=O)O 563712912 DVPFHXOWFZNAFN-SECBINFHSA-N 296.323 1.361 0 50 CDAA Cc1cc(C(=O)N=c2nc[nH]n2C(C)C)ns1 576923721 ZVJHSJJVFMMVMP-UHFFFAOYSA-N 251.315 1.298 0 50 CDAA CCNC(=O)c1cn2c(n1)CCN(c1nccs1)CC2 1875247776 RVVXZRAYHWCTQB-UHFFFAOYSA-N 291.380 1.152 0 50 CDAA COC(=O)c1ccnc(I)c1 3644912 XXOKMYMXDALOEN-UHFFFAOYSA-N 263.034 1.473 0 50 CDAA in-vitro Cc1nc(CNc2cncc(OCCO)n2)c(C)s1 133691370 CJODEYOEXQXMCB-UHFFFAOYSA-N 280.353 1.533 0 50 CDAA CC1=CC2(CCN(C(=O)c3cnc[nH]3)CC2)OCC1 1704297202 JNRDLVLSUFCLCW-UHFFFAOYSA-N 261.325 1.751 0 50 CDAA O=C(O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 1189988 LDSAGOKBOKCGGG-UITAMQMPSA-N 279.273 1.513 0 50 CDAA COCCN(C(=O)c1cc2cccn2cn1)[C@@H]1CCOC1 1614420433 CNMVKGGTOFCUCR-CYBMUJFWSA-N 289.335 1.212 0 50 CDAA O=C(O)CS[C@@H]1CC(=O)N(c2ccccc2)C1=O 19230004 YTNPLWOAHMUJEA-SECBINFHSA-N 265.290 1.136 0 50 CDAA Cc1ccc(C)n1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1615556997 QSOKPFHIQCGMJC-ZDUSSCGKSA-N 291.351 1.377 0 50 CDAA O=C(C[C@H]1CC1(F)F)N1CC(N2CCCCC2)C1 1857684909 JWTTZKDFJQNDLD-JTQLQIEISA-N 258.312 1.728 0 50 CDAA O=C(N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)C1CCC1 12594636 NOWNBEBGWRYCAB-AWEZNQCLSA-N 290.338 1.843 0 50 CDAA CN1CCC(N2CCC[C@@H](C(=O)NC3CCCC3)C2)CC1 12706813 LVOMTRKEHLVGDJ-CQSZACIVSA-N 293.455 1.851 0 50 CDAA COc1ccc(CN2CCNC[C@@H]2CCO)c(C)c1C 19367996 SSWVGAQGUIIKGK-HNNXBMFYSA-N 278.396 1.468 0 50 CDAA CC1=NS(=O)(=O)N(Cc2cccc(C)c2)C=C1C(=O)O 169758967 XMZYXFCLVHGYTR-UHFFFAOYSA-N 294.332 1.485 0 50 CDAA Cc1nonc1C(=O)N(C)CCn1cnc2ccccc21 1857670411 MMGLMSVSOFCHDY-UHFFFAOYSA-N 285.307 1.500 0 50 CDAA Nc1cncc(N2CC[C@@H](Oc3ccccc3)C2)n1 1857678616 PSIGAKZMCSJSKA-GFCCVEGCSA-N 256.309 1.717 0 50 CDAA Cc1nc[nH]c1CC(=O)N1Cc2ccccc2[C@@H](O)C1 1857684267 GDEGUIVIHJATLI-AWEZNQCLSA-N 271.320 1.336 0 50 CDAA O=C(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1cscn1 1857735545 RFJYYDXLQPFDQR-GVXVVHGQSA-N 293.392 1.125 0 50 CDAA CCOc1ccc(NS(=O)(=O)N2CCOCC2)cc1 4839409 NHDLHIPLOGGCGP-UHFFFAOYSA-N 286.353 1.074 0 50 CDAA Cn1cc(C(C)(C)C(=O)N2CC[C@@H]2C(F)F)cn1 633234461 CSPOUGISUZKFSG-SECBINFHSA-N 257.284 1.564 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCC[C@H](C)[C@@H]1CN 237072899 QKCBWDKWZLQGMV-FZMZJTMJSA-N 293.411 1.928 0 50 CDAA COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1c[nH]cc1C)C2 458101501 REVHSUCOZLGGLZ-NQBHXWOUSA-N 276.336 1.737 0 50 CDAA OCCN1CCN(Cc2ccccc2Cl)CC1 19607076 PGCGYLAMXVYWQH-UHFFFAOYSA-N 254.761 1.450 0 50 CDAA O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc[nH]n1 363635906 PWCLNJYRWCTMGE-SNVBAGLBSA-N 261.285 1.038 0 50 CDAA COc1ccc(OC)c(CN(C(=O)[C@@H](C)N)C2CC2)c1 153543261 CTORGYKMEAVMNV-SNVBAGLBSA-N 278.352 1.542 0 50 CDAA O=C1C[C@H](c2noc(C3=CCCNCC3)n2)CN1C1CC1 904614268 PDRRPMWUELYVEI-NSHDSACASA-N 288.351 1.315 0 50 CDAA O=C(O)[C@H]1CCCCCN1C(=O)c1cc2n(n1)CCC2 910043363 FGYRKUYVWUQQKH-GFCCVEGCSA-N 277.324 1.299 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CN)C1 252156696 NKBJUSUOLVHEKB-JHJVBQTASA-N 289.445 1.022 0 50 CDAA COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)O)cc1F 252445548 AAJUTJCAAHQDDL-UJNFCWOMSA-N 281.283 1.732 0 50 CDAA C[C@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@H](C)N1 153152345 ZKWSOGCVBYAGJE-RYUDHWBXSA-N 264.344 1.967 0 50 CDAA CCCCc1nc(CN2CCNC(=O)[C@H]2CC)no1 156505316 LZQKTHVLWPWZCM-SNVBAGLBSA-N 266.345 1.123 0 50 CDAA O=C(Cc1cccc(Cl)c1)N[C@H]1C[C@@H](C(=O)O)C1 263320636 NLYHFCNZEXHLDU-JGZJWPJOSA-N 267.712 1.862 0 50 CDAA NC(=O)C[C@@H]1CCCCN1Cc1cccc(C(=O)O)n1 97711776 YUMABSQUEJQYFI-NSHDSACASA-N 277.324 1.010 0 50 CDAA CC[C@H](C(=O)O)N1CCC(Cn2cccn2)CC1 191433986 XOBMQOQPLCEUGS-GFCCVEGCSA-N 251.330 1.458 0 50 CDAA O=C(N[C@H]1COC[C@@H]1O)c1csc2ccccc12 323497189 CFPCJYOZGADXKG-QWRGUYRKSA-N 263.318 1.391 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)c3ccc4c(c3)CCC4)C[C@H]21 426514890 RCOQAOZLJCPZSU-WDNDVIMCSA-N 271.316 1.578 0 50 CDAA CCC[C@H](NC(=O)c1nn(C)cc1Cl)C(=O)O 534661939 KAVARGGTZPZASF-ZETCQYMHSA-N 259.693 1.057 0 50 CDAA C[C@@]1(C(=O)O)CCCN1Cc1ccc(S(C)(=O)=O)cc1 380065722 GRDNMFZNQPDBHA-AWEZNQCLSA-N 297.376 1.529 0 50 CDAA C[C@@H]1C[C@@H](C(=O)O)CN(Cc2ccc(CO)cc2)C1 398956567 RWTLFCNRBUQVEU-BXUZGUMPSA-N 263.337 1.722 0 50 CDAA CC(C)(C)C(=O)NC[C@@H](C(=O)O)C1CCOCC1 864273714 MRROVJOEZYPQLP-SNVBAGLBSA-N 257.330 1.276 0 50 CDAA C[C@](N)(C(=O)Nc1cnn(-c2ncccc2F)c1)C1CC1 2325795636 QQHYJKZFNFOUGL-CQSZACIVSA-N 289.314 1.472 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)C[C@@H]1CCOc2ccccc21 342524654 LTLHYILOSVRJLV-QWRGUYRKSA-N 277.320 1.874 0 50 CDAA O=C(Nc1cnc2ccccn2c1=O)c1ccccc1 528925 UKUYZYZQFGXJIV-UHFFFAOYSA-N 265.272 1.947 0 50 CDAA Cc1cc(C)cc(N([C@@H](C)C(=O)N(C)C)S(C)(=O)=O)c1 571633 APPKWBUDYNPRTR-LBPRGKRZSA-N 298.408 1.546 0 50 CDAA Cc1cc(NC(=O)CS(=O)(=O)Cc2ccccc2)no1 620854 OICHQNAHIZPOPB-UHFFFAOYSA-N 294.332 1.537 0 50 CDAA O=c1c2ccccc2nnn1Cc1ccc(F)cc1 1058466 OKTKGIJIYNBNOE-UHFFFAOYSA-N 255.252 1.979 0 50 CDAA COC[C@@]12COC[C@@H]1CN(c1ccc(C(C)=O)cn1)C2 2356153356 COIMTUFWSXGLEK-ZFWWWQNUSA-N 276.336 1.383 0 50 CDAA COCCSc1ccccc1C(=O)N1CCOCC1 2865296 MAPUIEAQTFWNSB-UHFFFAOYSA-N 281.377 1.898 0 50 CDAA CCn1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1 6699795 AEOQAFWIDADCQK-UHFFFAOYSA-N 287.291 1.982 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2ccnc(Br)c2)C1 225946513 PDDUHBJUEHKWIP-QMMMGPOBSA-N 299.124 1.391 0 50 CDAA CN(C[C@H](O)CO)C(=O)CC12CC3CC(CC(C3)C1)C2 55131544 XWGFIHABERZGRW-IXUJDMMCSA-N 281.396 1.405 0 50 CDAA Cc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1 20051410 RRTJFROLLCBOPL-UHFFFAOYSA-N 291.376 1.875 0 50 CDAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccccc1O 100629632 WBHCCLMKHNGCEH-WTTBSCSTSA-N 257.289 1.928 0 50 CDAA CC(C)[C@H]1CCN1C(=O)c1cnn(-c2ccccn2)c1N 345452300 HZQUQLYJPRDZEA-GFCCVEGCSA-N 285.351 1.720 0 50 CDAA CCNC(=O)[C@H](C)NC(=O)c1ccc2cccnc2c1O 67867877 WNKPSMOKJMMPNE-VIFPVBQESA-N 287.319 1.195 0 50 CDAA O=C(c1ccccc1O)N1CCC[C@H](N2CCNC2=O)C1 139412964 OBHCLMOJJZINRL-NSHDSACASA-N 289.335 1.022 0 50 CDAA COc1cc(CCN2C[C@@H](C(=O)O)CC2=O)cc(OC)c1 65405133 RXMKVPYUIJCRHB-NSHDSACASA-N 293.319 1.179 0 50 CDAA Cc1cccc(N([C@H](C)C(=O)N(C)C)S(C)(=O)=O)c1 65364129 NXPBAJVFNQOSSF-LLVKDONJSA-N 284.381 1.238 0 50 CDAA Cc1c(N[C@H]2CCN(C)C2=O)cnn1-c1ccccc1F 126724851 RSDVOLZLWMUWPM-LBPRGKRZSA-N 288.326 1.962 0 50 CDAA CC(C)C[C@@H]1COCCN1C(=O)NCC1CCOCC1 172225202 POHZYCKICJTWSX-CQSZACIVSA-N 284.400 1.870 0 50 CDAA O=c1c2sccc2ncn1CCN1CCCC[C@H]1CO 32565461 WBNZTLBIKSPPHX-NSHDSACASA-N 293.392 1.305 0 50 CDAA CCN1CCC[C@@H](Nc2ncnc(N)c2Cl)C1 233469000 UPIUOZXXFHNKCG-MRVPVSSYSA-N 255.753 1.608 0 50 CDAA Cc1c(C(=O)NC[C@@](C)(O)CCCO)[nH]c2ccccc12 215305490 RSGBRBDVIRXQKF-INIZCTEOSA-N 290.363 1.730 0 50 CDAA CCc1cccc(C(=O)N2CCCc3n[nH]cc32)n1 333447393 QYCWHKBZYGGADA-UHFFFAOYSA-N 256.309 1.960 0 50 CDAA COCCN(CC1CC1)S(=O)(=O)NCc1ccccc1 72135417 VNKLPUNDXGXXKK-UHFFFAOYSA-N 298.408 1.379 0 50 CDAA CN(C)[C@@H](Cc1ccccc1)C(=O)NCC1(CO)CCC1 183272276 MIQDZYIOOYJPJJ-HNNXBMFYSA-N 290.407 1.438 0 50 CDAA COC(=O)c1cc(Cl)n2ncc(Br)c2n1 219092741 SYSIOGPLSXMLGP-UHFFFAOYSA-N 290.504 1.932 0 50 CDAA CCN(Cc1cccc2nonc12)[C@H]1CCS(=O)(=O)C1 216258434 IOKPKRDWKGAGME-NSHDSACASA-N 295.364 1.232 0 50 CDAA O=C(c1cnn2c1CCC2)N1CCNC[C@@H]1c1ccccc1 333279883 MGFRGQFSGZZPBI-MRXNPFEDSA-N 296.374 1.616 0 50 CDAA Cc1ccccc1[C@@H]1CN(C(=O)C[C@H](C)CN)CCO1 237439311 PAMUQYUAYSVJRF-WFASDCNBSA-N 276.380 1.880 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCCN2)C[C@H](c2ccsc2)O1 237607080 GSNUYALSQAVKHS-KGYLQXTDSA-N 280.393 1.789 0 50 CDAA O=C(CNC1CC1)N1CCN(c2ncccc2Cl)CC1 237678022 VGXYWVGTPDYBJL-UHFFFAOYSA-N 294.786 1.136 0 50 CDAA Cn1ccnc1[C@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 334231555 URZWSMJENGGZRN-LBPRGKRZSA-N 299.378 1.583 0 50 CDAA COc1nc2c(cc1C(=O)N1CC[C@H]3CNC[C@H]31)CCC2 77438158 QHTUTXBIXXBLFV-SMDDNHRTSA-N 287.363 1.013 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 156377409 ODENXLTXQIWLDF-WDYNUWJLSA-N 259.353 1.681 0 50 CDAA O=C([C@@H]1CCCN1)N1CCO[C@H](c2ccccc2F)C1 237876695 BDLRLMHWXBONGM-KBPBESRZSA-N 278.327 1.478 0 50 CDAA C[C@@H]1CN(Cc2cnc[nH]2)CC2(CCOCC2)O1 369310723 AUUKZZBAALVGFR-LLVKDONJSA-N 251.330 1.180 0 50 CDAA O=C(Cc1cccnc1)NCc1cccc(-c2nnn[nH]2)c1 218968201 OMPVUJKUCZLOFA-UHFFFAOYSA-N 294.318 1.121 0 50 CDAA C[C@H](NC(=O)N1CC(F)(F)C[C@H]1CO)c1cccnc1 372577075 WSWRNETUKAENNT-ONGXEEELSA-N 285.294 1.554 0 50 CDAA CS[C@H](C)CCN1CCN(Cc2noc(C)n2)CC1 215806199 IEZOPCMOPDTJGQ-LLVKDONJSA-N 284.429 1.637 0 50 CDAA Cn1ccnc1[C@@H]1CCCN(Cc2cc[nH]c(=N)c2)C1 373277601 HORAHZADEYCIHX-CYBMUJFWSA-N 271.368 1.607 0 50 CDAA Cn1ccnc1[C@@H](c1ccccc1F)N1C(=O)CNC1=O 335956711 YAYAGBNLFWRHEO-GFCCVEGCSA-N 288.282 1.200 0 50 CDAA Cn1cncc1C(=O)N1CCC[C@@H]1c1cccnc1 336397784 QNSCAOXXVOHYJG-GFCCVEGCSA-N 256.309 1.792 0 50 CDAA Cn1ccnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)c1=O 375021024 ONFPSGDCKZVJPU-HNNXBMFYSA-N 289.310 1.017 0 50 CDAA COCC(=O)N1CCC[C@H]1CNc1cccc(C)n1 375888069 FWWMKEFZTYBVLJ-LBPRGKRZSA-N 263.341 1.439 0 50 CDAA CNC(=O)c1ccc(CN(C)[C@@H]2CCCC[C@H]2O)o1 239539256 AVYSPKCBHCKFIZ-VXGBXAGGSA-N 266.341 1.375 0 50 CDAA CC(=O)N[C@@H]1CCN(c2cc(C)nc3c(C)c(C)nn23)C1 72447238 IWGDCJFLOOMSFB-CYBMUJFWSA-N 287.367 1.369 0 50 CDAA O=C(c1ncn[nH]1)N1CCN(C/C=C/c2ccccc2)CC1 82315423 BZJJAVXKDUIRDX-QPJJXVBHSA-N 297.362 1.276 0 50 CDAA Cc1ccsc1CN(C)C(=O)[C@@H]1COCCO1 47953810 LURSSTWSERQWQQ-JTQLQIEISA-N 255.339 1.430 0 50 CDAA COCc1nc(C)c(CNC(=O)c2cnccn2)s1 223033495 GDLFBVYMUDHXPR-UHFFFAOYSA-N 278.337 1.318 0 50 CDAA O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)[C@@H]1CCNC1 178471200 PSAYWRPQHXMARL-RBSFLKMASA-N 274.364 1.632 0 50 CDAA C[C@H](NC(=O)c1ccco1)C(=O)N1CC2(CCOCC2)C1 613348359 FVHBGVOBGIKTMC-NSHDSACASA-N 292.335 1.037 0 50 CDAA CCNC[C@@H](O)COCCCN1CCC[C@H](C)C1 43061623 HPIOXBOTTXBOLI-UONOGXRCSA-N 258.406 1.095 0 50 CDAA CN(C(=O)c1cccc(Oc2cnccn2)c1)[C@H]1CCNC1 179083928 KXXUWSKTWJODHZ-ZDUSSCGKSA-N 298.346 1.703 0 50 CDAA C[C@@H](CN)CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 237506985 QOOGFUYGLMOSAH-NXEZZACHSA-N 266.316 1.925 0 50 CDAA CCCCc1ncc(CN2CCC3(CC2)CNCCO3)[nH]1 426517844 NTJWXMLHJRJERB-UHFFFAOYSA-N 292.427 1.707 0 50 CDAA O=C1Nc2cc(F)c(Br)c(F)c2C1=O 95630899 HLOUGGGNIWHBON-UHFFFAOYSA-N 262.009 1.862 0 50 CDAA COc1cccn(CC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1=O 95502742 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MLDLSQFDEKMTQS-UHFFFAOYSA-N 295.346 1.953 0 50 CDAA Cc1nc(Cc2csc(C)n2)n(CCCO)n1 670472979 RITPYPJMWNIQFZ-UHFFFAOYSA-N 252.343 1.325 0 50 CDAA O=C1CCCN1c1ccc(-c2ncnn2CCCO)cc1 670447239 QRJSNCJVINKPMF-UHFFFAOYSA-N 286.335 1.454 0 50 CDAA CO[C@H]1CCN(C2CCN(Cc3ccco3)CC2)C1 670453311 UTNYKCKRUBVDOS-AWEZNQCLSA-N 264.369 1.965 0 50 CDAA Nc1nc(CCCNC(=O)CCc2ccncc2)cs1 670447828 BCYKWVLLSAJTLV-UHFFFAOYSA-N 290.392 1.802 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCC=C(Cl)C1 863947866 LYHSQPWPQIXWDP-UHFFFAOYSA-N 253.733 1.924 0 50 CDAA C[C@@H]1CCN[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[C@H]1N 757216302 ZLMYRHUJGGZDCW-MVCUBJFGSA-N 265.323 1.242 0 50 CDAA O=C(N[C@]12CCC[C@H]1NCC2)c1cccc2c1COCC2 1550116448 TZOWTERFPFFLQF-WBVHZDCISA-N 286.375 1.774 0 50 CDAA Cc1cc(=NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)cc[nH]1 952889502 ASEACXRZAXDKKU-JQWIXIFHSA-N 259.313 1.120 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)CCN1 876528855 ATOYMFYBXMGVEH-YUELXQCFSA-N 274.364 1.585 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1nc(C2CC2)no1 1875282907 XVOLNOGXWIKHOP-LURJTMIESA-N 275.312 1.778 0 50 CDAA C[C@@H]1N[C@H](C)CC[C@@H]1NC(=O)c1cc2nc[nH]c2cc1N 1875319404 BBNLVVXQBBIZCR-PTRXPTGYSA-N 287.367 1.404 0 50 CDAA COc1ccc(NC(=O)[C@H]2CCCO2)cc1C(=O)N(C)C 952872888 RDZLPNCPVUTLDI-CYBMUJFWSA-N 292.335 1.515 0 50 CDAA C[C@H](NC[C@@H]1[C@H]2CNC[C@H]21)c1ccccc1-n1cccn1 952973682 XVRFHVJKPYNDQW-ARLBYUKCSA-N 282.391 1.988 0 50 CDAA CC(C)(C)n1nc(CC(N)=O)nc1-c1cncc(F)c1 952871794 BOFVJPUPGPXZFO-UHFFFAOYSA-N 277.303 1.262 0 50 CDAA Nc1cc(=O)[nH]c(SCCCOc2ccccc2)n1 16490374 RGZOSHJXKHUXAF-UHFFFAOYSA-N 277.349 1.913 0 50 CDAA CCc1cccnc1C(=O)NC[C@H](C)N1CCOCC1 270911230 LWUGWZNVFHTZQF-LBPRGKRZSA-N 277.368 1.095 0 50 CDAA COC(=O)[C@@H]1CN(c2nc(C)cc(N)n2)Cc2ccccc21 894812381 AKQOSSRYLDQBNK-CYBMUJFWSA-N 298.346 1.644 0 50 CDAA C[C@H]1C(=O)NCCN1c1cc(C2CCCCC2)ncn1 1775989757 RKDXRTLERIQDLU-NSHDSACASA-N 274.368 1.849 0 50 CDAA O=S(=O)(Cc1noc2c1CCCC2)c1cccnc1 1363764534 WLPOQIACXMDRRG-UHFFFAOYSA-N 278.333 1.922 0 50 CDAA COC(=O)c1cc(CNC(=O)[C@H](F)C(F)(F)F)ccn1 898993746 SNKGJQFDRMVYEV-QMMMGPOBSA-N 294.204 1.385 0 50 CDAA CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCC[C@@H]1O 408430426 TXPLRGSHYMARHC-CYDGBPFRSA-N 270.373 1.547 0 50 CDAA CC[C@@H](C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 221776818 CADNHSZFMDAXMG-CZUORRHYSA-N 290.407 1.916 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccn(C)c1 275498267 JMQWRGCRHIOBDW-KBPBESRZSA-N 274.368 1.861 0 50 CDAA CN(C)C(=O)NC1CCN(C(=O)Cc2cccs2)CC1 169896553 BZQZDQYTHGGSRY-UHFFFAOYSA-N 295.408 1.553 0 50 CDAA COC[C@H]1CN(C(=O)NCc2cccc(F)c2)C[C@@H](C)O1 187328959 YZSHLARTCCOAHZ-BXUZGUMPSA-N 296.342 1.771 0 50 CDAA CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CNCCO1 187716150 ILKJAWMKXDQALG-GFCCVEGCSA-N 286.734 1.426 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CCN[C@H](C)C1 188428591 SLFSQTFMLFXEAR-SNVBAGLBSA-N 266.316 1.658 0 50 CDAA Cc1cnc(COCC(=O)NCc2ccc(F)cn2)o1 671775997 AVNGTLHTCOONTG-UHFFFAOYSA-N 279.271 1.350 0 50 CDAA C[C@@H]1NCC[C@@H](C)[C@H]1NC(=O)c1cccc(C(=O)O)c1 582907708 FCYIPNMWYUZHEZ-GBIKHYSHSA-N 276.336 1.501 0 50 CDAA Cc1cc(C(=O)N(CCC(=O)O)CC2CC2)n[nH]1 675970236 LZQLSFIHNUYSMR-UHFFFAOYSA-N 251.286 1.045 0 50 CDAA O=C(C1CC1)N1CCN(c2ncnc3c2CCCC3)C1 643197671 LZYNAEKULXCSPF-UHFFFAOYSA-N 272.352 1.372 0 50 CDAA COc1ccc(F)c(CN2CCC[C@](O)(CC(N)=O)C2)c1 643747511 HZMFDXBXTGTENY-HNNXBMFYSA-N 296.342 1.037 0 50 CDAA CC(C)n1ccc(C(=O)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)n1 598762252 NFYONEKTYKEPNN-FKANQGBASA-N 297.424 1.884 0 50 CDAA CC(C)[C@H](C)S(=O)(=O)Cc1nnc2n1CCCCC2 683921716 DQJSOWRPORPQCH-NSHDSACASA-N 285.413 1.964 0 50 CDAA NC(=O)[C@H]1CCCN1C(=O)N1CCc2ccccc21 193081540 CLTGUHBMSLSVBS-GFCCVEGCSA-N 259.309 1.119 0 50 CDAA Cn1ccnc1-c1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 194813344 OUVJSIAUICXLAZ-LLVKDONJSA-N 284.319 1.162 0 50 CDAA C[C@@H]1CN([C@H](C(=O)O)c2cccnc2)C[C@@H](C)O1 652366115 CABACPIFVUPDGG-FOGDFJRCSA-N 250.298 1.317 0 50 CDAA Cc1cccn2cc(CC(=O)NC(C)(C)c3ncc[nH]3)nc12 568992305 CWWMCYOTZZBOQN-UHFFFAOYSA-N 297.362 1.960 0 50 CDAA COC(=O)C1=C(C)N=C2N=C(c3ccccc3)NN2C1 1267971638 AXBSZJLMVUEQJX-UHFFFAOYSA-N 270.292 1.070 0 50 CDAA CCc1nn(C)c(NC(=O)[C@H](C)N2CCCC2=O)c1C 1529101881 QKELYEDCGIONCQ-JTQLQIEISA-N 278.356 1.240 0 50 CDAA CCCC[C@@H]1C[C@@H]1C(=O)N(CCO)Cc1ncc[nH]1 1704328551 LHPACBIWLMEAQU-NEPJUHHUSA-N 265.357 1.557 0 50 CDAA C[C@H]1CCN(C(=O)[C@H]2CCCN(C)C2)CCS1 1615582539 ABBHGNFBTSCTTB-RYUDHWBXSA-N 256.415 1.682 0 50 CDAA C[C@@H]1CCN(C(=O)N2CC[S@](=O)C(C)(C)CC2)C1 334633765 HKWQURQBRSLIKA-ZMZPIMSZSA-N 272.414 1.681 0 50 CDAA CS(=O)(=O)N[C@H]1CCc2sc(Cl)cc21 335165292 CDDHYOAYCRZQRC-LURJTMIESA-N 251.760 1.938 0 50 CDAA CCN1CC[C@@H](Sc2nc3cncnc3[nH]2)C1=O 657256632 IQCNNQDRNLUQML-MRVPVSSYSA-N 263.326 1.066 0 50 CDAA Cc1ccc(C)c(-n2nnc(C(=O)NC(C)C)c2N)c1 16626116 DMACGTZCIUXSFA-UHFFFAOYSA-N 273.340 1.605 0 50 CDAA Cc1ncc(C(=O)NCc2cccn3nccc23)cn1 1772808018 FEMCCZTWIDLUFE-UHFFFAOYSA-N 267.292 1.363 0 50 CDAA c1ccc2c(c1)Cn1c(nnc1-c1cnco1)CO2 1772804903 DVKDAQUJMQTKSM-UHFFFAOYSA-N 254.249 1.874 0 50 CDAA O=C(CCCn1cccn1)N1CCC[C@H](C2(O)CC2)C1 1772819124 FGRYZMAUBTXDQB-ZDUSSCGKSA-N 277.368 1.427 0 50 CDAA CC(C)c1cc(N[C@@H](Cc2cnc[nH]2)C(=O)O)ncn1 1772703142 BWDAFLNQJPULIP-NSHDSACASA-N 275.312 1.431 0 50 CDAA CC[C@@H](C(=O)NCc1[nH]nc2ncccc12)n1cccn1 1772808857 CUELPGDEPWOWRT-LBPRGKRZSA-N 284.323 1.422 0 50 CDAA OCCn1cnc2cc(-n3ccnc3-c3ncc[nH]3)ccc21 1775982027 GFARNQXFTSANDX-UHFFFAOYSA-N 294.318 1.604 0 50 CDAA Oc1cccc(N2CCN(CC[C@H]3COCCO3)CC2)c1 1775980803 AZOOMAPBOSGVQU-INIZCTEOSA-N 292.379 1.320 0 50 CDAA CCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O 5591415 FWOSBKBVLAWNHH-SNVBAGLBSA-N 274.320 1.587 0 50 CDAA C[C@H]1CN(C[C@@H](O)COC2CCCC2)C[C@@H](C)O1 12419913 VKESFLWTZYJZIP-FRRDWIJNSA-N 257.374 1.416 0 50 CDAA CCOc1ccc(CC(=O)NCCN2CCOCC2)cc1 13744208 LSTITENNHAYKRU-UHFFFAOYSA-N 292.379 1.076 0 50 CDAA CCCc1nnnn1Cc1cc2ccccc2oc1=O 1640870489 UKQXBECETKNKFL-UHFFFAOYSA-N 270.292 1.780 0 50 CDAA COC(=O)/C(=C/c1ccc(NC(C)=O)cc1)NC(C)=O 169620360 PHTOIEGXKOZQMV-JYRVWZFOSA-N 276.292 1.295 0 50 CDAA Nc1ccc(N2CC[C@H](CO)C2)c(Br)c1 165701929 MYQGJYHUIDRYKZ-QMMMGPOBSA-N 271.158 1.850 0 50 CDAA Cc1nccc(-c2nccn2-c2c(C)nn(CCO)c2C)n1 1857703093 ITLBCHVJMPERKA-UHFFFAOYSA-N 298.350 1.443 0 50 CDAA Cc1cccc(CCNC(=O)[C@H]2CC[C@@H](N)[C@H](O)C2)c1 1857724687 NAHYNMOJTFESGI-RRFJBIMHSA-N 276.380 1.142 0 50 CDAA Cc1cc(C(=O)O)nc(-c2ccc([C@H]3CNC(=O)C3)cc2)n1 1875250353 RELZRETVYCSOES-GFCCVEGCSA-N 297.314 1.754 0 50 CDAA CCC[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1N(C)C 216900175 QOHQKWFPZGCQSE-AAEUAGOBSA-N 264.373 1.222 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1 520800589 YYJCZOHSEKWBCS-NSHDSACASA-N 292.364 1.291 0 50 CDAA CC[C@@H](C)[C@@H](N)C(=O)N1CCC(c2ccnn2C)CC1 236947789 QZOAFWHNYKYXNH-BXUZGUMPSA-N 278.400 1.500 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)NCc1cccnc1 239173621 OHUIMECECYWTRW-IGQOVBAYSA-N 286.331 1.611 0 50 CDAA CN=c1[nH]c(N2CC[C@](C)(O)C2)nc2ccccc12 579435368 GYNQZGXZYFFHCA-AWEZNQCLSA-N 258.325 1.055 0 50 CDAA Cn1c(Cl)cnc1CNC(=O)Cc1ccncc1Cl 825375606 OHGJIVQWZSJVNM-UHFFFAOYSA-N 299.161 1.981 0 50 CDAA NCC1(C(=O)N[C@H]2COc3ccccc3C2)CCCC1 237762036 WLCGYPBCLWGGLA-CYBMUJFWSA-N 274.364 1.625 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2CCOC2)c2ccccc21 167132197 QOKGYYOYDGKUFZ-CMPLNLGQSA-N 275.304 1.628 0 50 CDAA CC(C)Oc1cc(N2CC[C@@H]3CNC[C@@H]3CC2)ncn1 312904012 ZBFGGTIBWKGUDR-BETUJISGSA-N 276.384 1.700 0 50 CDAA Cc1nc(N[C@H]2C=CS(=O)(=O)C2)c2ccsc2n1 95382240 DRDGRBNKUMMBBX-QMMMGPOBSA-N 281.362 1.722 0 50 CDAA O=C(NC1(CO)CCCCCC1)[C@@H]1CC12CCNCC2 584895285 ZLIGQMBNNAQZJY-ZDUSSCGKSA-N 280.412 1.578 0 50 CDAA CCCC1(O)CCN(Cc2cn(C)nc2C)CC1 952846153 LPTOISWFGQYUQJ-UHFFFAOYSA-N 251.374 1.856 0 50 CDAA CN1CC[C@H](CNC(=O)c2n[nH]cc2-c2ccncc2)C1 2325798064 KZRHUBGRMAIOLD-LLVKDONJSA-N 285.351 1.153 0 50 CDAA CC[C@H](c1nc(-c2cc(=N)[nH]cn2)no1)n1ccnc1 2325864348 MUVRTOPALXQIGK-SECBINFHSA-N 271.284 1.135 0 50 CDAA C[C@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@H](C)O1 183609 QNPFRXDZVWZBGY-RYUDHWBXSA-N 269.366 1.626 0 50 CDAA CC(C)Oc1ccc([C@@H](CC(N)=O)CC(=O)O)cc1 330240 NQGDMWWMAHGTGZ-NSHDSACASA-N 265.309 1.908 0 50 CDAA COc1ccc(OCC(=O)OC2CCN(C)CC2)cc1 525314 FCNCDIPLMNLCBP-UHFFFAOYSA-N 279.336 1.711 0 50 CDAA S=C(NCc1cccs1)NC[C@@H]1CCCO1 610542 HMBTYKGMOPBYLG-VIFPVBQESA-N 256.396 1.891 0 50 CDAA O=CO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccccc1 858757 TVTJPNLMEPABFX-CHWSQXEVSA-N 283.349 1.449 0 50 CDAA CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)O 1895634 STIVWJFLTMFQAK-ZETCQYMHSA-N 295.407 1.233 0 50 CDAA COCCNC(=O)c1cc2cc(OC)ccc2oc1=O 2905879 HVAFGQSQSXIIKR-UHFFFAOYSA-N 277.276 1.178 0 50 CDAA COc1cnccc1-c1ccc(C(=O)N[C@@H](C)C(N)=O)cc1 2356152071 PSHZTULDOMCLMA-JTQLQIEISA-N 299.330 1.361 0 50 CDAA O=C1c2cccc3cccc(c23)C(=O)N1CCCNCCO 3892600 FFJKCIDNKQCLNM-UHFFFAOYSA-N 298.342 1.408 0 50 CDAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 59739875 CIIKZYBQADSDIN-QWHCGFSZSA-N 296.411 1.566 0 50 CDAA NC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1 21330294 NYBLBXOTNBAMPY-UHFFFAOYSA-N 294.782 1.997 0 50 CDAA CN(C)c1ccc(S(=O)(=O)N(C)Cc2ccc[nH]2)cn1 344227316 SRYIDCBLBOQBFQ-UHFFFAOYSA-N 294.380 1.296 0 50 CDAA Cc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 101811391 XAFNYBNQKQMFSH-NDBYEHHHSA-N 257.289 1.662 0 50 CDAA CC(C)[C@H](Cn1ccnc1)NC(=O)CCN1CCCCO1 55074761 QPRIVOZMUMECMP-AWEZNQCLSA-N 294.399 1.441 0 50 CDAA COC(=O)[C@@H](N)Cc1cccc(Br)c1 57545478 YITVYXPXJPUFPP-VIFPVBQESA-N 258.115 1.492 0 50 CDAA Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H]1C[C@@H](C)OC1=O 248040963 OCLJYAZUPFYWCN-ICCXJUOJSA-N 277.368 1.878 0 50 CDAA CCc1cc(C(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)O)cs1 65381239 PISDZDNVQLFLSP-PWSUYJOCSA-N 296.392 1.540 0 50 CDAA Brc1cnc(I)cn1 20358069 OHTQHZVNZWWYFD-UHFFFAOYSA-N 284.882 1.844 0 50 CDAA C[C@H](Cc1nc2c([nH]1)CC(C)(C)CNC2=O)N1CCCC1 65428491 TXTHDBKKUWTCPS-LLVKDONJSA-N 290.411 1.749 0 50 CDAA Cc1ncsc1C(=O)N[C@H]1CCN2CCCC[C@@H]12 229386526 ZDHRHUISLOBDHU-QWRGUYRKSA-N 265.382 1.808 0 50 CDAA Cc1c(C(=O)NC2CC2)cccc1N(C)S(C)(=O)=O 67622376 XDJRWDNQWRLVOY-UHFFFAOYSA-N 282.365 1.283 0 50 CDAA CSC[C@@H](C)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328632459 RWUCCGJJNASREW-GHMZBOCLSA-N 282.413 1.224 0 50 CDAA O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cncc(F)c1 184475570 DUPNLEHQAIDYBD-UHFFFAOYSA-N 286.266 1.320 0 50 CDAA CNCCN(C)C(=O)c1c[nH]nc1-c1ccc(OC)cc1 237328749 QXCGUTSEKJZWJD-UHFFFAOYSA-N 288.351 1.377 0 50 CDAA CCN(CC)C(=O)C(=O)N(C)[C@H](C)c1ccncc1 71763959 AUNSKHZUDQFPJJ-LLVKDONJSA-N 263.341 1.469 0 50 CDAA CCN1C[C@@H](n2cnc3scc(C)c3c2=O)CC1=O 32603549 OCLIZJXEWRZQSQ-VIFPVBQESA-N 277.349 1.560 0 50 CDAA CCN(C)S(=O)(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 252477460 OIKYULJUUNJXFY-NSHDSACASA-N 286.401 1.360 0 50 CDAA Cc1nonc1CC(=O)NCC1(N(C)C)CCCCC1 215292446 CJKTYBJQMPASGQ-UHFFFAOYSA-N 280.372 1.301 0 50 CDAA O=C(CN1CCN(c2ccncc2)CC1)N1CCCCC1 77423515 CYTNZCSHHAQSLY-UHFFFAOYSA-N 288.395 1.216 0 50 CDAA Cc1cccc2ncn([C@@H](C)Cn3cncn3)c(=O)c12 32529632 YXMWJNJVBWFDMO-NSHDSACASA-N 269.308 1.558 0 50 CDAA Cc1nscc1C(=O)N1CCNC[C@H]1c1ccncc1 333323379 UXDBYXHYGNWACX-ZDUSSCGKSA-N 288.376 1.633 0 50 CDAA O=C1NC[C@]2(CCCN(Cc3nccs3)CC2)O1 72161056 ALXWYYVFEVHIIV-GFCCVEGCSA-N 267.354 1.608 0 50 CDAA CN1CC[C@@H]2CN(C(=O)c3c[nH]c4nccc-4c3)C[C@@H]21 333957665 IGUXNVMFCHLVQK-YPMHNXCESA-N 270.336 1.291 0 50 CDAA CCn1ccnc1C(=O)N1CCOC[C@@H]1c1ccco1 368281466 NVKPFTDFSLRTOB-LLVKDONJSA-N 275.308 1.710 0 50 CDAA Cc1ccnc(N[C@@H]2CCN(C(=O)c3cccnc3)C2)n1 370540050 XGOGWPXKVRVACL-CYBMUJFWSA-N 283.335 1.507 0 50 CDAA CN1C[C@]2(CCCN(Cc3ccncc3)C2)OC1=O 72433630 MFKBXCJIMAGEAW-AWEZNQCLSA-N 261.325 1.498 0 50 CDAA Cc1c([C@@H]2CCCN2C(=O)/C=C/CN(C)C)cnn1C 371379891 RTCOSMJWLXIKPL-OWNNVSBGSA-N 276.384 1.510 0 50 CDAA Cc1cc(NCCN2CCCC2=O)n2nccc2n1 72418875 ROBFIVNFPZUJNW-UHFFFAOYSA-N 259.313 1.072 0 50 CDAA COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1O[C@H](C)C[C@@H]1C 375695928 FYKDOHAVBUILFY-BPKMXRTBSA-N 295.379 1.600 0 50 CDAA CO[C@H](C(=O)N1CCC12CCC(CO)CC2)C1CC1 376056658 OUMAOMNTHXNGSU-QRJNDHJOSA-N 267.369 1.565 0 50 CDAA CCc1noc(C2CCC(N[C@@H]3CC(=O)N(C)C3)CC2)n1 378526112 KCWTWVJMLVEDBF-HTAVTVPLSA-N 292.383 1.479 0 50 CDAA O=C(c1ccc[nH]1)N1CCN(C(=O)C2CCC2)CC1 75030454 WAMMDZKETAJJJW-UHFFFAOYSA-N 261.325 1.099 0 50 CDAA CCn1cc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2)cn1 457871769 HVQHJYZXMMBAJW-TXEJJXNPSA-N 251.330 1.589 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)cc1Cl 284846036 DHRQAOYVUXCMOK-CQSZACIVSA-N 296.754 1.101 0 50 CDAA CCc1noc([C@@H]2CCCN2C(=O)Cc2cc(C)no2)n1 221402479 KAMQYPYXOBEGHC-NSHDSACASA-N 290.323 1.835 0 50 CDAA C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C(=O)O 263560749 BSBCWGUCYAYEBX-ZEGGKSINSA-N 284.306 1.773 0 50 CDAA Cc1ccn2c(F)c(C(=O)N(C)Cc3ncon3)nc2c1 426618354 ORGDAFZZKLHNHF-UHFFFAOYSA-N 289.270 1.437 0 50 CDAA COCCN1C[C@@H](Cc2ccc(OC)c(F)c2)CC1=O 222693963 YHFSYLXEWFGWTR-LBPRGKRZSA-N 281.327 1.872 0 50 CDAA Cc1nc[nH]c1CNC(=O)CC[C@H](C)N1CCCC1 426491019 HAAGQLSXXGZPHA-NSHDSACASA-N 264.373 1.599 0 50 CDAA COC1(C)CCN(C(=O)[C@@H]2C[C@H](C)CC(O)=N2)CC1 328931801 BIKVARXGPMVDJR-QWRGUYRKSA-N 268.357 1.769 0 50 CDAA Cc1nc(O)cc(CNC(=O)c2cc(C)oc2C)n1 222876466 LXFAESVTKBBQRP-UHFFFAOYSA-N 261.281 1.630 0 50 CDAA COCCC[C@@H]1CCCCN1C(=O)c1cnccn1 82107017 CRPOAOFKYRPTPK-LBPRGKRZSA-N 263.341 1.898 0 50 CDAA Cc1noc([C@H](C)NC(=O)Cc2ccsc2)n1 338114239 HXAXZWMGBQTJRV-ZETCQYMHSA-N 251.311 1.859 0 50 CDAA NC(=O)c1ccc(-c2nc(C3CCOCC3)n[nH]2)cc1 97716794 BIVYEMANIOTOPT-UHFFFAOYSA-N 272.308 1.465 0 50 CDAA Cc1nc(CCC(=O)NC2(CC(=O)O)CCCCC2)n[nH]1 426662291 QBAVNNVGVPKUAT-UHFFFAOYSA-N 294.355 1.340 0 50 CDAA CCO[C@@H](C)C(=O)N1CC(Oc2ccc(F)cc2)C1 426527033 UBDRRJLVLJBCDZ-JTQLQIEISA-N 267.300 1.840 0 50 CDAA COc1ccc(-c2cc(C(=O)NCCN(C)C)n[nH]2)cc1 91893050 WPLYBRBSKXDWEF-UHFFFAOYSA-N 288.351 1.377 0 50 CDAA Cc1[nH]c2c3c(F)cccc3nn2c(=O)c1CCC(=O)O 231801020 QGSXBFRGVSCELW-UHFFFAOYSA-N 289.266 1.641 0 50 CDAA Cc1cc(CN(C)CC(C)(C)CN2CCOCC2)ncn1 293267029 SIFSGDRQVVNJNF-UHFFFAOYSA-N 292.427 1.575 0 50 CDAA CC(=O)SC[C@H](C)C(=O)N1CCS[C@@]1(C)C(=O)O 95918231 LKDWNVQWERFIAC-CPCISQLKSA-N 291.394 1.278 0 50 CDAA Cc1ccccc1-n1nc([C@H]2CCOC2)nc1-c1ncn[nH]1 97713566 XUWCKRPFWKGSJN-NSHDSACASA-N 296.334 1.865 0 50 CDAA COCC(C)(C)C(=O)N(CCO)Cc1ccccc1C 97604166 AYTMROQZHWWCGI-UHFFFAOYSA-N 279.380 1.989 0 50 CDAA CCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)n[nH]1 244828674 UALQNTGVCLRUEV-NSHDSACASA-N 265.361 1.118 0 50 CDAA O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Cl)[C@H]1C=C[C@H]2O1 245377160 HQUXMOHBNHVDON-DDHJBXDOSA-N 275.691 1.783 0 50 CDAA O=C(OCc1ccccc1)N1CCC2(CC1)CNCCO2 602993680 MNAIZRFWAMYJPL-UHFFFAOYSA-N 290.363 1.778 0 50 CDAA O=C(NC[C@H](O)c1ccccc1Cl)[C@H]1CCCCN1 299738871 HMLSDTNZZCDABP-OLZOCXBDSA-N 282.771 1.632 0 50 CDAA CC1(C)OC(=O)C(C[C@H](N)c2ccccc2)C(=O)O1 255187870 HHALSYMJKXLKBU-NSHDSACASA-N 263.293 1.529 0 50 CDAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccccc1N1CCCC1 534673767 KTDPJPQFRDWIKX-ZFWWWQNUSA-N 289.379 1.003 0 50 CDAA CCn1ncc(CNC(=O)[C@H](C)n2ccnc2C)c1C 534631167 SOKDQXFOSZHLQH-NSHDSACASA-N 275.356 1.594 0 50 CDAA COc1ccc2oc(CN[C@H](C)Cn3cncn3)nc2c1 534648524 YPQNQIPAPCDGPA-SNVBAGLBSA-N 287.323 1.606 0 50 CDAA O=C(NCCc1ncc[nH]1)C1(N2CCCC2)CCCC1 534591599 CCKIGOADFWPKJB-UHFFFAOYSA-N 276.384 1.477 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)Cc1c(C)noc1C 534669348 NUBFOAULOANDHH-JTQLQIEISA-N 291.355 1.713 0 50 CDAA Cn1cncc1C(=O)NCc1noc(-c2cccs2)n1 558407764 ZZOOXKUCIDLBSW-UHFFFAOYSA-N 289.320 1.462 0 50 CDAA CN(C(=O)c1ccnn1C)C1Cc2ccccc2C1 299495520 JIKTWRIXZLPODP-UHFFFAOYSA-N 255.321 1.660 0 50 CDAA CCc1c(C)nn(CC(=O)NCc2nonc2C)c1C 299802275 KFFMPDKNHACTJC-UHFFFAOYSA-N 277.328 1.070 0 50 CDAA C[C@H](NC(=O)CCc1ccc(=O)[nH]n1)C1=CCCCC1 299799493 RZUFOLPRGYNBCX-NSHDSACASA-N 275.352 1.708 0 50 CDAA O=C(C[C@@H]1CCNC1)NCCOc1cccc2cccnc12 299775653 GIJYYCSSHSRPRR-ZDUSSCGKSA-N 299.374 1.729 0 50 CDAA Cc1ccc2oc(N3CC[C@H](CO)[C@H](O)C3)nc2c1 576686980 NQPKGQVOVOPYIP-ZYHUDNBSSA-N 262.309 1.316 0 50 CDAA CC(C)c1nc(CN[C@H](C)CCn2cccn2)no1 821181597 DHIIGRFQIHOOFP-LLVKDONJSA-N 263.345 1.958 0 50 CDAA CC(C)(CN1CCC[C@@H]1C(=O)O)N1CCCCC1 828544535 RGZVSAGDTQESBN-GFCCVEGCSA-N 254.374 1.800 0 50 CDAA C[C@H](Cc1ccsc1)N(C)C(=O)c1cncnc1N 185455454 LLAWHAPLAYXMQN-SECBINFHSA-N 276.365 1.824 0 50 CDAA Cc1nc([C@H](C)NC(=O)CCCn2cnnn2)cs1 584888230 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274.349 1.703 0 50 CDAA Cc1cc2cc(NC(=O)[C@@H]3CNC(=O)C3)ccc2[nH]1 194867102 HLGHROUBPBAQAE-JTQLQIEISA-N 257.293 1.551 0 50 CDAA Cc1ccc(F)cc1-c1nnc(NS(C)(=O)=O)o1 194986274 LCKAXOFCCJLAKI-UHFFFAOYSA-N 271.273 1.556 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)CCc1ccsc1 195554790 MMEYTZSHNFAOTA-JTQLQIEISA-N 253.323 1.756 0 50 CDAA C[C@H](O)C1CCN(C(=O)[C@@H]2NCCc3ccccc32)CC1 195543391 LNVOSNSYMLUQSS-BLLLJJGKSA-N 288.391 1.493 0 50 CDAA Cc1nnc([C@H]2CN(c3ncccc3F)C[C@@H](C)O2)o1 664500342 DOTUMXQCEAJPRG-LDYMZIIASA-N 278.287 1.879 0 50 CDAA CC(C)(C)OC(=O)c1n[nH]cc1NC(=O)C1CC1 600054368 SOBMVEIQTCBWGF-UHFFFAOYSA-N 251.286 1.714 0 50 CDAA O=C(O)[C@@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 86789305 YRIHSENREJXPNE-LLVKDONJSA-N 272.308 1.174 0 50 CDAA O=C(O)c1n[nH]cc1NC(=O)[C@@H]1CC1(Cl)Cl 902228687 OHRUVHVIYTUQAN-VKHMYHEASA-N 264.068 1.240 0 50 CDAA Cc1cnc(CN(C)Cc2noc(C(C)C)n2)cn1 1506412271 WAYOCWBFYPUQMI-UHFFFAOYSA-N 261.329 1.923 0 50 CDAA Cc1cc(C(N)=O)c(N2CCC[C@H](O)CC2)nc1C 1704341469 SRUZTGAFSKMAAD-NSHDSACASA-N 263.341 1.149 0 50 CDAA CN1CCc2cc(-c3ncnc4[nH]ncc34)cnc21 1875246203 AOIBYDDAZJKXJI-UHFFFAOYSA-N 252.281 1.407 0 50 CDAA Cc1nsnc1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 1800414887 XLYDSFMETHFZMX-SECBINFHSA-N 277.353 1.589 0 50 CDAA CC1=CC2(CCN(CCS(C)(=O)=O)CC2)OCC1 1704299080 NNWGMPWEAHYWTH-UHFFFAOYSA-N 273.398 1.232 0 50 CDAA CCN(C)c1cc(NC[C@H](C)n2ccnc2)ncn1 1704315693 TZTPDONKHDFYBL-NSHDSACASA-N 260.345 1.802 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CSCN2)C1(C)C 236883850 WTXKQEUCAWIWRV-OUAUKWLOSA-N 272.414 1.311 0 50 CDAA CC[C@@H](NC(=O)C1(N)CCCC1)c1ccnn1C 1857693268 PDMSFEONKBBIAQ-SNVBAGLBSA-N 250.346 1.259 0 50 CDAA O=C(NCc1ccsc1)c1cccc2nnnn12 1857702212 DXCOJWPZGRDRDH-UHFFFAOYSA-N 259.294 1.116 0 50 CDAA CN(CC1CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C 130859501 XDRVBPUGDDEDOY-UHFFFAOYSA-N 259.309 1.349 0 50 CDAA CN(CC1CC1)S(=O)(=O)Cc1ncsc1Cl 1616041552 ZVRCGJISZYFLJO-UHFFFAOYSA-N 280.802 1.968 0 50 CDAA CS(=O)(=O)C1(C(=O)NC[C@@H]2CCCC2(F)F)CC1 1615590393 LSZIETQQWSHIQU-QMMMGPOBSA-N 281.324 1.115 0 50 CDAA COC(=O)N1CC[C@@H](NCC2([C@@H](O)C(C)C)CC2)C1(C)C 1615587706 JQOKGFUUUOQSIF-OLZOCXBDSA-N 298.427 1.992 0 50 CDAA CN(CCOc1ccccc1F)C(=O)c1cocn1 591110085 FGCJTVAOVUSDKK-UHFFFAOYSA-N 264.256 1.965 0 50 CDAA C[C@@]12C[C@H]1CN(C(=O)c1cccc(-n3cnnc3)n1)C2 1772819860 VWSVIEOJDFXDPE-HZMBPMFUSA-N 269.308 1.144 0 50 CDAA CC(C)(CN1CCOCC1)CN1C[C@H]2C[C@H](O)C[C@H]2C1 1775982353 UBCGLIBEXCDYPE-FICVDOATSA-N 282.428 1.048 0 50 CDAA COc1cc(CN2CCN(C)C3(CCOCC3)C2)ccn1 1775983445 XTAVVZZJDUUHNS-UHFFFAOYSA-N 291.395 1.387 0 50 CDAA CCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 5614559 IEUPNEKLFPDMFK-UHFFFAOYSA-N 256.327 1.285 0 50 CDAA CC(C)(C)NS(=O)(=O)NC(=O)c1c[nH]c2ccccc12 12381500 FXAQNOQTQWOXRC-UHFFFAOYSA-N 295.364 1.531 0 50 CDAA CC(C)(C)N1C(=O)N[C@H]2[C@H]1NC(=O)N2C(C)(C)C 13510651 RHSGJZYWJMNPFC-OCAPTIKFSA-N 254.334 1.286 0 50 CDAA CC(C)NC(=O)c1ccc(CS(C)(=O)=O)cc1 17300460 MKQUKPBFVIROMB-UHFFFAOYSA-N 255.339 1.369 0 50 CDAA O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccccc1F 2944572 ZYNZBXROJWAFLJ-VIFPVBQESA-N 266.272 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1.366 0 50 CDAA Oc1cccc(CN2CCC(N3CCSCC3)CC2)n1 20917434 DDFYNXZBSIMQOV-UHFFFAOYSA-N 293.436 1.800 0 50 CDAA COC(=O)c1n[nH]cc1NC(=O)c1ccc(C)c(F)c1 357200958 JCWIUWXSIZPKAQ-UHFFFAOYSA-N 277.255 1.896 0 50 CDAA NC(=O)COc1ccc(-c2nccn2CC(F)(F)F)cc1 71708161 SXHLWXMPEFALCE-UHFFFAOYSA-N 299.252 1.977 0 50 CDAA CNC(=O)[C@H]1CCCC[C@H]1C(=O)NCCc1ccc(C)o1 20542278 MTWOXHMRUFTHQO-UONOGXRCSA-N 292.379 1.799 0 50 CDAA CCCc1cc(N(C)C[C@H]2COCCO2)nc(C)n1 65433450 IKQXVEHULYNFCF-ZDUSSCGKSA-N 265.357 1.589 0 50 CDAA Cc1cccc(C(=O)NCCCN2CCN(C)CC2)c1 20818776 PEEBFSDNSZSZFU-UHFFFAOYSA-N 275.396 1.362 0 50 CDAA CNC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 67614205 AMGHAXKGWUYRRY-UHFFFAOYSA-N 276.745 1.095 0 50 CDAA COc1ccc(OCCCN(C)[C@@H]2COC[C@H]2O)cc1 352815436 LXLVRFYXTUVVSO-HUUCEWRRSA-N 281.352 1.156 0 50 CDAA CCCC[C@H](NC(N)=O)c1nc([C@H]2CCOC2)no1 120484874 PWVMBQUDOFJKNS-IUCAKERBSA-N 268.317 1.473 0 50 CDAA CCCC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)C(N)=O 252517941 VLLIJJKZNOCNLT-BNOWGMLFSA-N 295.427 1.267 0 50 CDAA CCCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H](N)CN1C 67691178 PEEATACNJUBSPO-ZFWWWQNUSA-N 293.386 1.596 0 50 CDAA COCCN(C(=O)CSc1nc(C)n[nH]1)C(C)C 63857495 MAUIKZAQLZZMMC-UHFFFAOYSA-N 272.374 1.089 0 50 CDAA CN(C)C(C)(C)CNC(=O)N[C@@H](CO)c1ccccc1 303096744 SXBQWMGJDZRDGJ-ZDUSSCGKSA-N 279.384 1.359 0 50 CDAA COCc1ncsc1C(=O)N[C@H]1CCCC[C@H]1OC 253415332 AZAWVZSEURJZSC-GXSJLCMTSA-N 284.381 1.977 0 50 CDAA COc1ccnc(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)c1 328611836 MVBPONBOQRXYQN-BXUZGUMPSA-N 278.352 1.881 0 50 CDAA CC[C@@H](NC(=O)c1ccc(C(N)=O)s1)C1CCOCC1 331000501 QCHYGGSDKAQZJW-SNVBAGLBSA-N 296.392 1.782 0 50 CDAA c1ccc(N2CC[C@@H](NCC3CCNCC3)C2)cc1 415074056 BTZAFYNJKOKNKB-OAHLLOKOSA-N 259.397 1.855 0 50 CDAA CON(C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 76956535 LAAAMOQBIKIHLV-VIFPVBQESA-N 258.318 1.263 0 50 CDAA CSCc1noc(CNC(=O)c2c(C)noc2C)n1 219849000 KWGUZEZFOOFTLU-UHFFFAOYSA-N 282.325 1.467 0 50 CDAA Cc1nc(CC(=O)N(C)Cc2ccno2)cs1 77322513 BVADLSUQVRWJRR-UHFFFAOYSA-N 251.311 1.641 0 50 CDAA CC(C)CO[C@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 236640096 ONESPWAQHSQLEO-STQMWFEESA-N 256.390 1.633 0 50 CDAA COc1cc(F)c(CN2CCOC[C@@H]2CO)c(F)c1 215672219 PVQVYQGFPOEJTH-VIFPVBQESA-N 273.279 1.167 0 50 CDAA CN1CCN(C(=O)c2cn[nH]c2)C[C@@H]1c1ccccc1 215972272 NNUSNWWYFSQRPR-CQSZACIVSA-N 270.336 1.539 0 50 CDAA CN(C)[C@H]1CCCN(C(=O)c2cn3c(n2)CCCC3)C1 334178622 CULOHKZFLGYKCF-LBPRGKRZSA-N 276.384 1.386 0 50 CDAA C=Cn1cc(C(=O)N(C)CCN2CCCC[C@@H]2C)cn1 71419472 DBEMXDYGWKPWRV-ZDUSSCGKSA-N 276.384 1.930 0 50 CDAA O=C(CCc1ccsc1)N[C@H]1CNCCC1(F)F 449667526 UZRKDKHKDAQBPA-JTQLQIEISA-N 274.336 1.794 0 50 CDAA CC(=O)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 133978999 JXTXJMFKLBKCIQ-VIFPVBQESA-N 259.302 1.724 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)NCC(C)(C)N)c1 129629878 NRKMNWTWFVOTEJ-UHFFFAOYSA-N 260.334 1.150 0 50 CDAA Cn1ncnc1[C@H](NC(=O)Cc1ccccn1)C1CC1 222461057 MHSWYTSYLQOHDL-CYBMUJFWSA-N 271.324 1.020 0 50 CDAA CCc1ccc2ncn(CCc3c[nH]cn3)c(=O)c2c1 43040556 ZJUHIABEBPISSC-UHFFFAOYSA-N 268.320 1.925 0 50 CDAA Cc1nc(-c2cccc(CO)c2)c2cnn(C)c2n1 426359961 PLWNKOAYFGUJLU-UHFFFAOYSA-N 254.293 1.831 0 50 CDAA C[C@@]1(O)CCCN(C(=O)CCCn2ccnc2)CC1 221398804 KPFQMEFPWYIRIG-CQSZACIVSA-N 265.357 1.427 0 50 CDAA C[C@@H](Cc1cnccn1)NC(=O)N1CCSCC1 426550388 IGXRBVOQNPFWCQ-JTQLQIEISA-N 266.370 1.166 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)N(C)C2CCOCC2)n[nH]1 426421031 CRGULXNPQOQHRQ-SNVBAGLBSA-N 280.372 1.470 0 50 CDAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@H]1C(=O)O 426492757 GWKQMEXILUDKHF-ZDUSSCGKSA-N 299.330 1.776 0 50 CDAA CCCn1nccc1C(=O)N[C@@H]1COCC1(C)C 615981412 GHEVTEXHUOOSHW-LLVKDONJSA-N 251.330 1.448 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)CCc1cnccn1 426503553 MXUAQPQMOGDXSM-NSHDSACASA-N 288.355 1.459 0 50 CDAA C[C@@H](C(=O)N1CCCC1)n1ccc2ncccc2c1=O 95389297 GDLAKSWXJBFWGV-NSHDSACASA-N 271.320 1.580 0 50 CDAA NC(=O)C1(NC(=O)c2ccc(-c3cc[nH]n3)cc2)CCCC1 91475816 DUBILNXOHOMADR-UHFFFAOYSA-N 298.346 1.605 0 50 CDAA C[C@H](NC(=O)c1cnc2ccccn2c1=O)C(F)(F)F 335361502 YXGCSMSPDRXLLW-ZETCQYMHSA-N 285.225 1.375 0 50 CDAA COc1cccn([C@H](C)C(=O)NC2CCCC2)c1=O 95525945 VTNGOWPNUYPVMH-SNVBAGLBSA-N 264.325 1.477 0 50 CDAA Cc1nc(C)c(C)c(NCCSc2nncn2C)n1 95386961 JQLWGCBGKVLHES-UHFFFAOYSA-N 278.385 1.735 0 50 CDAA CC(C)(C)OC(=O)N1CCN(C2CCOCC2)CC1 97840706 DSIMMXOFLAHCGT-UHFFFAOYSA-N 270.373 1.718 0 50 CDAA O=C1NCCCc2[nH]c(-c3ccccc3-n3ccnc3)nc21 95366241 YECUQTMENKVZPK-UHFFFAOYSA-N 293.330 1.938 0 50 CDAA N[C@H]1CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)C1 237847951 LOVZERKEJFKMHD-ZDUSSCGKSA-N 287.363 1.377 0 50 CDAA O=c1[nH]ccnc1N1CCN(CCc2ccccc2)CC1 97785472 VAXUODATDBSFGS-UHFFFAOYSA-N 284.363 1.135 0 50 CDAA Cc1cc(C)cc(-c2cn(CCc3n[nH]c(=O)[nH]3)nn2)c1 91620734 IDOFHBYEFNESMM-UHFFFAOYSA-N 284.323 1.216 0 50 CDAA CCc1nnc(Cn2c(=O)c(C)nc3ccccc32)o1 95359552 GJCYQTVUCOVFKL-UHFFFAOYSA-N 270.292 1.699 0 50 CDAA COc1ccnc(NC(=O)Cn2cccc(C)c2=O)c1 180484314 RVZSERAAIRVVRY-UHFFFAOYSA-N 273.292 1.199 0 50 CDAA C[C@@H](NC(=O)[C@H]1CCCO1)c1ncc(C(=O)O)s1 621607783 BBPYHTDDFWQVDZ-RNFRBKRXSA-N 270.310 1.198 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)Cc2ccon2)C1 622656776 LLBOHTIHSXLIJU-LLVKDONJSA-N 252.314 1.227 0 50 CDAA Cn1nccc1[C@H](CO)NC(=O)CC1CCCC1 622693351 GBZSGBDESMDLPO-NSHDSACASA-N 251.330 1.150 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 299743202 MPFZFSOIZJTWBW-CQSZACIVSA-N 299.330 1.478 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2cccc3c2OCO3)C1 299740360 YXVVKZONOBCWEP-GHMZBOCLSA-N 276.336 1.615 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NCc1ccc(-n2cccn2)cc1 299748330 GYCPALKFHDIGMW-STQMWFEESA-N 285.303 1.209 0 50 CDAA CNCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C 299738465 BDLHYPLZEHHBHX-GDBMZVCRSA-N 289.423 1.575 0 50 CDAA Cc1c(Cl)cccc1OCC(=O)NC1(C(=O)O)CC1 299743394 KVLCPVLTMKYNPN-UHFFFAOYSA-N 283.711 1.761 0 50 CDAA Cc1n[nH]cc1CN(C)CCS(=O)(=O)c1ccccc1 639968545 QSCWBCCAEKHVFM-UHFFFAOYSA-N 293.392 1.624 0 50 CDAA Cc1cc(NC(=O)N[C@H]2CCOC2)n(C(C)C)n1 299780450 CJRUMZQJKUSZSC-JTQLQIEISA-N 252.318 1.683 0 50 CDAA O=C(CN1CC[C@@H](O)C1)Nc1ccc(Cl)c(C(=O)O)c1 299775516 GIICKQXJXMSMAW-SECBINFHSA-N 298.726 1.043 0 50 CDAA CCCc1nc(CNC(=O)CN2CCC[C@H](O)C2)cs1 299772783 BUWMDRYMBUUTGH-LBPRGKRZSA-N 297.424 1.169 0 50 CDAA CC(C)(C)OC(=O)NCC12CC(C(=O)O)(CO1)C2 719418588 OVUMQCYVKNOGOI-UHFFFAOYSA-N 257.286 1.145 0 50 CDAA CCS(=O)(=O)N1CC(Oc2ccc(C)cc2)C1 823413049 ROERNHCHOGTBHX-UHFFFAOYSA-N 255.339 1.408 0 50 CDAA CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H](O)CC2 823836867 QIDBDYLJJZXLCR-GFCCVEGCSA-N 291.395 1.673 0 50 CDAA CN1CCC[C@@H](Nc2ccc(C(=O)N3CCCC3)cn2)C1 823771495 WAGCXABTVIAPSG-CQSZACIVSA-N 288.395 1.824 0 50 CDAA C/C(=C(/F)C(=O)N1CCC[C@@H]1CN1CCOCC1)C1CC1 585134050 BJMMQUDIZBDMGY-QAALXFNPSA-N 296.386 1.963 0 50 CDAA COc1cccc2c(=O)n([C@H](C)c3n[nH]c(C)n3)cnc12 584901591 WDZXAEDHWQBYJQ-MRVPVSSYSA-N 285.307 1.441 0 50 CDAA C[C@@H]1CCCC[C@@H]1N(C)C(=O)/C=C/CN1CCOCC1 864773234 JXCHXBUYSFVLNY-ZRJDUIELSA-N 280.412 1.912 0 50 CDAA C[C@](O)(CNC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(F)cc1F 268933962 ZUDQLZOTAREASD-FZNYLWTLSA-N 299.273 1.009 0 50 CDAA COc1cc(Cn2ccnc2C2(O)CCC2)sn1 1875292653 OOUAOFJXMMLWFC-UHFFFAOYSA-N 265.338 1.768 0 50 CDAA Cc1cnccc1[C@H](C)NC[C@H]1CCCN1S(C)(=O)=O 1875285049 BCYWYBLXXMNEBO-QWHCGFSZSA-N 297.424 1.465 0 50 CDAA O=C(NC12CC(C(=O)O)(C1)C2)c1cnc2n1CCCCC2 1875286022 AQAJNJIMQPXQEB-UHFFFAOYSA-N 289.335 1.347 0 50 CDAA Cc1cc(C)c(CN(C=O)C[C@@](C)(O)CN(C)C)c(C)c1 1875324965 FGGNZZKTYAADLF-KRWDZBQOSA-N 292.423 1.883 0 50 CDAA CN(C)C/C=C/C(=O)NCc1nc2ccc(F)c(F)c2[nH]1 1875377140 UDYWQDHWAXGDAV-ONEGZZNKSA-N 294.305 1.575 0 50 CDAA CO[C@@H](C)c1noc(Cn2c(=O)n(C)c3sccc32)n1 1875319857 VRWDXFHHGFDNDC-ZETCQYMHSA-N 294.336 1.540 0 50 CDAA O=C(N[C@H](CO)CC(F)F)[C@@H]1CCC2(CCC2)O1 1875300541 HGTLQKZXIAPJJY-IUCAKERBSA-N 263.284 1.220 0 50 CDAA CC1(C(=O)NCC2CCN(CCC(=O)O)CC2)CCCC1 952977296 VECRNXGPMQIHNW-UHFFFAOYSA-N 296.411 1.870 0 50 CDAA CNC(=O)C1CCN(Cc2ccccc2F)CC1 16606370 LUOQORNDKLBWKJ-UHFFFAOYSA-N 250.317 1.784 0 50 CDAA COc1ccc2[nH]ccc(=NCC3(O)CCOCC3)c2c1 892328621 ZUQOOMPBEGXGMA-UHFFFAOYSA-N 288.347 1.619 0 50 CDAA COCC[C@@H]1CN(Cc2nc(C)cs2)CCO1 244700993 JXZNIPJNBJOJLY-LLVKDONJSA-N 256.371 1.689 0 50 CDAA CO[C@@H]1CNC[C@@H]1NC(=O)/C(C)=C/c1ccc(F)cc1 1775985799 MWTUNUVBFBPMCW-QZVITLNNSA-N 278.327 1.332 0 50 CDAA CN(C)C[C@H]1CCN(Cc2ccccc2C(=O)O)C[C@@H]1O 1565530805 DSZXNPYCKVDXBF-HIFRSBDPSA-N 292.379 1.129 0 50 CDAA Cc1csc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 100642883 XLLDXOLFVJYPTO-QEYWKRMJSA-N 278.333 1.913 0 50 CDAA Cc1nc(C)c(CNC(=O)[C@@H]2CSCCS2)[nH]1 1363544251 INCAIHREDXMBJF-JTQLQIEISA-N 271.411 1.491 0 50 CDAA CN(C[C@@]1(O)CCc2ccccc21)c1ncc(F)cn1 1364214550 XAYWYZNRKIDPKE-HNNXBMFYSA-N 273.311 1.886 0 50 CDAA Fc1cnccc1-c1cn(CCO[C@@H]2CCOC2)nn1 899735930 RLKAHWMKXXAUOM-SNVBAGLBSA-N 278.287 1.285 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N=c1cc[nH]c2ccncc12 408326347 LLGQZQLAUMKBSE-MNOVXSKESA-N 271.320 1.805 0 50 CDAA O=C(OCc1ccccc1)N1CCCO[C@@H](CO)C1 95496035 GBFMGKGLICBMMI-CYBMUJFWSA-N 265.309 1.406 0 50 CDAA in-vitro Cc1oc(NC(=O)COC[C@H]2CCCO2)nc1C1CC1 585125374 PSQCDIIEMJLGHB-LLVKDONJSA-N 280.324 1.995 0 50 CDAA CN1CCC(N(CCO)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 585126610 DBEXXWLBTLGERF-SOUVJXGZSA-N 294.439 1.728 0 50 CDAA C[C@@H]1Cc2cc(S(=O)(=O)N3CCCO3)ccc2O1 186348893 VNQRFBSXWVBSFN-SECBINFHSA-N 269.322 1.336 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C(=O)O)C1 702259545 WDQSYTUCVSZEKJ-SECBINFHSA-N 296.327 1.548 0 50 CDAA Cc1cc(=O)[nH]cc1C(=O)N(C[C@@H]1CCCN1)C1CC1 186559410 CDOFPABRBPRESO-NSHDSACASA-N 275.352 1.040 0 50 CDAA CCOC(=O)[C@H](NCc1cnn(CC)c1)C(C)C 170608783 KSJBNRQLSBYOKU-GFCCVEGCSA-N 253.346 1.580 0 50 CDAA Cc1nc(CNc2ccc(N3CCOCC3)cn2)[nH]c1C 517395935 VWSNORPTOPOGLR-UHFFFAOYSA-N 287.367 1.870 0 50 CDAA CC[C@H](C)c1nnc2n1CC[C@H](C(=O)OC)CC2 601044911 SPWQXKWRVMJNMW-VHSXEESVSA-N 251.330 1.917 0 50 CDAA C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CNCCO2)C1 187819002 OBMWJTAAOCXTGY-KCPJHIHWSA-N 292.354 1.724 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1c(C)coc1C 643946715 HPZMXTMZAYCGLG-HNNXBMFYSA-N 294.351 1.264 0 50 CDAA C[C@@H]1CN(C(=O)c2ccncc2C(F)(F)F)CCO1 192138864 SYTXVJYNBFYXCV-MRVPVSSYSA-N 274.242 1.961 0 50 CDAA C[C@H](Nc1nccc(-c2cnccn2)n1)[C@H]1CCCNC1 561264763 OZIUSYURCTYPDJ-RYUDHWBXSA-N 284.367 1.734 0 50 CDAA FC(F)[C@H]1CN(c2nnnn2-c2ccccc2)CCO1 193583593 MRJABWRATCSEHT-SNVBAGLBSA-N 281.266 1.133 0 50 CDAA CCc1nn(C)cc1CNC(=O)N1CCO[C@@](C)(CC)C1 195574929 YYXLAMLTCIOKGG-HNNXBMFYSA-N 294.399 1.693 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(c2nc3ccccc3o2)C1 671467289 VYKGTVKAUIAQEK-CQSZACIVSA-N 285.307 1.061 0 50 CDAA CCc1nc(C(=O)N2CCOc3cc(O)ccc3C2)co1 672242521 AINTZCACBQVRGS-UHFFFAOYSA-N 288.303 1.977 0 50 CDAA CCN1CCCC[C@@H]1CNc1ncccc1C(N)=O 1506424195 ZIXZNKJJCRWOOW-LLVKDONJSA-N 262.357 1.467 0 50 CDAA C[C@@H](CN(C)CCO)NCc1noc(C2CCCC2)n1 1506419638 UHPXTTWZEFTDPH-NSHDSACASA-N 282.388 1.129 0 50 CDAA CN(CC[C@H]1COCCO1)Cc1cnc2ccccn12 1800410496 USOWJPJADAEEPC-AWEZNQCLSA-N 275.352 1.572 0 50 CDAA CC[C@@H]1CN(C(=O)Cn2cc(Cl)c(C)n2)CC[C@]1(C)O 213214010 CHYALZDYLMGKLY-RISCZKNCSA-N 299.802 1.854 0 50 CDAA Cc1nc(CNS(=O)(=O)N2CCCC2)sc1C 408420753 ZUDJDBPPIXOKJW-UHFFFAOYSA-N 275.399 1.190 0 50 CDAA COC(=O)C1(NC(=O)C2C(C)(C)C2(C)C)CCOCC1 408465394 KACATPZYUMKFHM-UHFFFAOYSA-N 283.368 1.507 0 50 CDAA CC1=CCN(C(=O)c2ccc(OCC(=O)O)cc2)CC1 621536770 WOFHRBXFHQZECI-UHFFFAOYSA-N 275.304 1.942 0 50 CDAA Cc1csc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1704337378 VUGRXZVRQJMGNN-DGCLKSJQSA-N 292.408 1.518 0 50 CDAA CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CCCNC2)C1(C)C 121685146 KOLFHEAYEQJMLV-JTNHKYCSSA-N 254.374 1.306 0 50 CDAA CCc1cnc(N)nc1NC[C@@H](O)c1cccc(O)c1 1704326021 TYJDODNYXMLFGX-GFCCVEGCSA-N 274.324 1.472 0 50 CDAA CCC1(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)COC1 776602607 VCDMMLUMVWAOGA-JTQLQIEISA-N 267.325 1.126 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](N2CCC(N)CC2)C1 26896588 UMWHGGWSANLOKM-LBPRGKRZSA-N 269.389 1.419 0 50 CDAA in-vitro N[C@H](Cc1cn([C@H]2C=CCCCCC2)nn1)C(=O)O 1601176354 ONLLVNIOUWOCQK-NWDGAFQWSA-N 264.329 1.294 0 50 CDAA O=C(Nc1cc2oc(=O)sc2cc1O)[C@@H]1CCCO1 1614994314 FQIANHBQNXQCSO-QMMMGPOBSA-N 281.289 1.678 0 50 CDAA C=CC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1 1615055239 KSCAUPQCTJHYPJ-UHFFFAOYSA-N 266.322 1.733 0 50 CDAA Cn1cc(NC(=O)[C@H]2NCCOc3ccccc32)cn1 1615554140 QKACNAXHRQTCPV-ZDUSSCGKSA-N 272.308 1.082 0 50 CDAA CC(C)(C)OC(=O)N1CCn2c(nnc2[C@H]2CCCO2)C1 1616037412 AQPGZGYWZWUBNI-SNVBAGLBSA-N 294.355 1.880 0 50 CDAA CC(=O)OC[C@@H](COc1ccccc1)OC(C)=O 5166150 MFUHTALWGBAVOL-ZDUSSCGKSA-N 252.266 1.560 0 50 CDAA CSCCC(=O)N1CC[C@]2(CCCN(C)C2=O)C1 12297571 CZEWZCDKBBBNGQ-CYBMUJFWSA-N 270.398 1.210 0 50 CDAA Cn1cncc1C(=O)NCc1ccccc1-n1ccnc1 19535164 ULDOULLBGUKLBQ-UHFFFAOYSA-N 281.319 1.536 0 50 CDAA C[C@H]1CNCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 125396944 GIWXXVDDYBSOLE-LBPRGKRZSA-N 291.370 1.860 0 50 CDAA Cc1nc2ccc(N3CCC[C@H]([C@H]4CCNC4)C3)nn2n1 333848740 MWRBMSKUAICTES-STQMWFEESA-N 286.383 1.259 0 50 CDAA Cc1nc(C)n(-c2ccc(C(=O)N3CCCNCC3)cc2)n1 237696673 AOBVFRGNPPBLNA-UHFFFAOYSA-N 299.378 1.320 0 50 CDAA O=C(O)CNC(=O)CN1CCC[C@@H]1c1cccc(Cl)c1 361763952 RJJPWYAVWZGIIJ-GFCCVEGCSA-N 296.754 1.678 0 50 CDAA 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Cn1c(CCNC(=O)[C@H]2CCCO2)nc2ccccc21 40198698 YEWCASKFFLJTGZ-CYBMUJFWSA-N 273.336 1.411 0 50 CDAA CN(Cc1cc(C2CC2)on1)C(=O)CCc1ccnn1C 426477924 ATRWAAXRMRAEFZ-UHFFFAOYSA-N 288.351 1.877 0 50 CDAA Cc1c(C(=O)NC[C@@H](O)c2cccc(O)c2)ccn1C 426545496 VSGBVJQNOKHGGN-CQSZACIVSA-N 274.320 1.503 0 50 CDAA O=C(O)C1CCN(C(=O)/C=C/c2cncc(F)c2)CC1 178180184 NIODKUQPFHNJRT-OWOJBTEDSA-N 278.283 1.557 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N(C)CCCc1nccn1C 223230031 PLQIWVZUFRSEMY-UHFFFAOYSA-N 289.383 1.475 0 50 CDAA Cc1cc(CC(=O)N[C@@H](CC(=O)O)CC(C)C)on1 223747492 FVUJHRSYPIWTLS-SNVBAGLBSA-N 268.313 1.531 0 50 CDAA OCC1CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 426478210 YBUPBSNHTBCDJM-GFCCVEGCSA-N 263.341 1.189 0 50 CDAA CCn1nc(CC(C)C)cc1C(=O)NCCc1c[nH]cn1 92020880 DNAHRXBCJAHJAH-UHFFFAOYSA-N 289.383 1.797 0 50 CDAA CSc1ccc(CNC(=O)c2ccnn2CCO)cc1 426373863 UVBJHGSNHZOLAL-UHFFFAOYSA-N 291.376 1.527 0 50 CDAA CC(C)(CO)NC(=O)[C@@H]1CCOc2ccccc2C1 95527656 ZAOCRVNDXLWEBS-GFCCVEGCSA-N 263.337 1.515 0 50 CDAA 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1.882 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)c3cc(Cl)ccn3)C[C@@H]21 242302075 YPIHEGPZCTYZTH-DVVUODLYSA-N 265.744 1.544 0 50 CDAA CCN(C[C@@H]1CCCCO1)C(=O)/C=C/c1cnc(N)nc1 952965763 CNGWQZATBKKKRI-YBJDMEARSA-N 290.367 1.490 0 50 CDAA Cn1cnnc1C[C@]1(O)CCCN(CC2=CCCCC2)C1 888077667 OMUKLQHDXJXHEH-MRXNPFEDSA-N 290.411 1.685 0 50 CDAA Cn1cc(C(=O)N[C@@H]2CCOC23CCCCC3)ccc1=O 888302935 IAUCRMVOPNOSOJ-CYBMUJFWSA-N 290.363 1.607 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2occc2[nH]1 889191475 SZCCOWCYWDRABJ-GHMZBOCLSA-N 264.281 1.295 0 50 CDAA Cn1ccc([C@@H]2C[C@H]2NC(=O)CCc2cccc(O)c2)n1 1775998926 KPPOEVDTNMWMBE-DZGCQCFKSA-N 285.347 1.731 0 50 CDAA CN(C)[C@H]1CCC[C@@H]1NC(=O)CCN1CCCCCC1=O 1565506028 UJQBZPKEEWJDQG-KBPBESRZSA-N 295.427 1.378 0 50 CDAA COc1cccc(-c2cn(C[C@@H]3CCCCNC3)nn2)n1 899740580 IOZUHOQGDIYQDS-GFCCVEGCSA-N 287.367 1.738 0 50 CDAA CC1(C)C[C@H](NC(=O)c2cnn3cccnc23)C(C)(C)O1 272232754 FZNNNESEZSMKPY-NSHDSACASA-N 288.351 1.805 0 50 CDAA C[C@H](NC(=O)Cc1ccc(O)cc1)C1=CCN(C)CC1 272742891 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195577656 JWSSIMPMWVCUEE-ZDUSSCGKSA-N 270.373 1.574 0 50 CDAA CCS(=O)(=O)N1CCN(C2CCC(C)CC2)CC1 19851652 PVZHQVIWUPXBBB-UHFFFAOYSA-N 274.430 1.532 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)n1ccc(C)n1 5001273 UXIGOINSOUCVRS-UHFFFAOYSA-N 266.322 1.746 0 50 CDAA CCn1cnnc1CN(C)c1nc(N)nc(C)c1Cl 1506412300 BONYHNHUVXAOSX-UHFFFAOYSA-N 281.751 1.268 0 50 CDAA CN(Cc1nc(-c2ccncc2)no1)c1ncccn1 1529167653 PEPISWVRYRCGSQ-UHFFFAOYSA-N 268.280 1.558 0 50 CDAA COCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 2845943 PKIZMOZAMQCGLU-UHFFFAOYSA-N 271.382 1.909 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ncncc1Cl 237375718 BVTXNIORWPXLEB-SCZZXKLOSA-N 268.748 1.472 0 50 CDAA C[C@H]1CCN(C(=O)N2CC[S@](=O)C(C)(C)CC2)C1 334633763 HKWQURQBRSLIKA-VOJFVSQTSA-N 272.414 1.681 0 50 CDAA CCc1ncn(CC(=O)N[C@H]2CCCC[C@H]2C)n1 241371386 MNDWHDBKPCZRCB-MNOVXSKESA-N 250.346 1.535 0 50 CDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3cscn3)CC2)C1 1704339634 UGYZHMHELLXQII-CYBMUJFWSA-N 296.392 1.679 0 50 CDAA COCCN1CCCN(C(=O)CN2CCCCCC2)CC1 1704355520 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CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2)C1 180770544 YTWAWLXNPSVWTI-LBPRGKRZSA-N 276.336 1.299 0 50 CDAA CCn1nc(C)c(CNC(=O)[C@@H](O)CCSC)c1C 299762934 WUYQFVGYTRZKHM-LBPRGKRZSA-N 285.413 1.250 0 50 CDAA C[C@@H](c1ccccn1)N(C)C(=O)c1ccn(C)c(=O)c1 194728882 FVRYPZDVHADONY-NSHDSACASA-N 271.320 1.614 0 50 CDAA CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)n1 566280346 FMHMRQQBCVYQRO-LLVKDONJSA-N 274.328 1.389 0 50 CDAA Cn1ccnc1[C@H](NC(=O)c1cncc(O)c1)C1CC1 341720782 QCOGLFDSRKXHHH-GFCCVEGCSA-N 272.308 1.402 0 50 CDAA Cc1cncc(C(=O)N2C[C@@H](N)CC[C@@H]2C(F)(F)F)c1 379267796 KQSQTUTYKPUDOQ-WDEREUQCSA-N 287.285 1.884 0 50 CDAA N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccncc2)C1 380930261 VABZCTAGAMGQBQ-ZJUUUORDSA-N 273.258 1.576 0 50 CDAA COC(=O)C(C)(C)N(C(=O)OC(C)(C)C)S(C)(=O)=O 2084445689 RQZQZJXHGXNFJJ-UHFFFAOYSA-N 295.357 1.135 0 50 CDAA COc1cc(NC(=O)c2ccncc2)cc(-n2cnnn2)c1 141281 VQNDYKXDDMWIIR-UHFFFAOYSA-N 296.290 1.318 0 50 CDAA O=C(NC[C@@H](O)CO)c1ccc2[nH]c3c(c2c1)CCCC3 141810 WCZLFJFXYAIKBL-LLVKDONJSA-N 288.347 1.130 0 50 CDAA C[C@H]1C[C@H](c2noc(C3(C(N)=O)CC3)n2)C[C@@H](C)O1 2325765281 VLWMYHNIVZACCL-AYMMMOKOSA-N 265.313 1.258 0 50 CDAA CC1=C[C@H](O)C=C(CO)[C@H]2CC(C)(C)[C@]2(O)CC1 2332918195 OTLZLFJZXZSMLZ-GUTXKFCHSA-N 252.354 1.783 0 50 CDAA C[C@@H](N)C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 246467023 COFJXYQBTCAEFS-HKUMRIAESA-N 262.353 1.711 0 50 CDAA CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 35117 ISHDEUNXFKJOOB-NEPJUHHUSA-N 290.363 1.963 0 50 CDAA CCOC(=O)c1ccc(NC(=O)CCC(=O)O)cc1 38837 SOHDJPBMTCUKLK-UHFFFAOYSA-N 265.265 1.667 0 50 CDAA biogenic,in-vitro O=C(CCN1CCCC1)NC[C@H]1OCCc2ccccc21 118781 DHEYIFFLMGXFGD-MRXNPFEDSA-N 288.391 1.903 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)cc1 195034 IFZRYGNXIFBVJU-LLVKDONJSA-N 262.265 1.193 0 50 CDAA Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)no1 204678 GIPYUJSFJNPNKL-IUCAKERBSA-N 252.270 1.813 0 50 CDAA NC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 272265 NRUVTPXVYYJUGI-UHFFFAOYSA-N 250.342 1.337 0 50 CDAA O=C(O)CNS(=O)(=O)c1cccc2ccccc12 390463 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1.394 0 50 CDAA CC(=O)N[C@@H](C)c1nc(CCc2ccccc2)n[nH]1 65404783 DBAVELFZUWGAMF-JTQLQIEISA-N 258.325 1.787 0 50 CDAA CCCN1CCC(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1 1460651 BPFLMAMKMDCJAV-KBPBESRZSA-N 296.411 1.868 0 50 CDAA CN(CCc1cnccn1)C(=O)c1ccc2nccnc2c1 356203914 LIFGBRIFTOQJPR-UHFFFAOYSA-N 293.330 1.735 0 50 CDAA CCn1ncnc1CN1CCC(Oc2cccnc2)CC1 216113753 LCBWRLJVYNDTRZ-UHFFFAOYSA-N 287.367 1.736 0 50 CDAA Nc1cc2c(cc1I)OCO2 71257334 QJMNGYVZGVGPQH-UHFFFAOYSA-N 263.034 1.602 0 50 CDAA COCCNCC(=O)N1C[C@@H](C)CN(C)c2ccccc21 152301921 AXGBAYWHBBMANO-ZDUSSCGKSA-N 291.395 1.342 0 50 CDAA Cc1nc([C@@H]2CCCCN2C(=O)c2cn(C)cn2)no1 363161933 CZNMVICOQAQMPN-NSHDSACASA-N 275.312 1.479 0 50 CDAA O=C(CCn1cccn1)NCc1ccc(-n2ccnc2)nc1 363902210 XQPQZAFYCWXDHP-UHFFFAOYSA-N 296.334 1.170 0 50 CDAA O=C(COCC(F)(F)F)N1CC2(CCCC2)C1 366673374 ABNQHLQPVHXOFI-UHFFFAOYSA-N 251.248 1.968 0 50 CDAA CCc1ccccc1C(=O)N[C@@H](C(=O)O)[C@H]1CCCOC1 262763032 ISWFQPLAJTWCOY-GXTWGEPZSA-N 291.347 1.859 0 50 CDAA 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Cc1cc(C)nc(CNC(=O)N(C)C[C@H]2CCCO2)n1 426443409 PRRWRIWWYKJGOR-GFCCVEGCSA-N 278.356 1.414 0 50 CDAA CCN(CCO)C(=O)N[C@H](Cn1ccnc1)C(C)(C)C 426635358 KXQCBBADOZVLCY-GFCCVEGCSA-N 282.388 1.322 0 50 CDAA O=C(NCCc1ccc(F)cc1)N[C@H]1CC12CCNCC2 612957903 DNLQTTHHWVVPDB-AWEZNQCLSA-N 291.370 1.810 0 50 CDAA Cc1cc(O)nc(CCNC(=O)c2ccn(C(C)C)n2)n1 426359505 IWSSMSJWUFQASQ-UHFFFAOYSA-N 289.339 1.241 0 50 CDAA O=C(O)CCC(=O)N[C@H](c1ccccn1)C(F)(F)F 426623231 NHJKFWOFMKETFQ-SNVBAGLBSA-N 276.214 1.666 0 50 CDAA CN1CCC(O)(C(=O)NCCCCc2ccccc2)CC1 97797642 NMNAPJVNPNQERY-UHFFFAOYSA-N 290.407 1.582 0 50 CDAA COCc1cc(NCCC(=O)Nc2nccs2)ncn1 95381101 YMWBTQFJXKRDDF-UHFFFAOYSA-N 293.352 1.520 0 50 CDAA CCc1cnc(NCC2(N(C)C)CCN(C)CC2)nc1 95367037 LWBYEMGVFCMUGQ-UHFFFAOYSA-N 277.416 1.477 0 50 CDAA CCOCCC(=O)NC[C@@H]1COc2cc(OC)ccc2C1 91452605 ACQJYFZNNSBQKE-GFCCVEGCSA-N 293.363 1.789 0 50 CDAA C[C@@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1F 237334833 IZFVLIZBTWNJEL-GXFFZTMASA-N 295.310 1.631 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239403084 RMGIGDUVERBGPU-NSAPBPOKSA-N 299.326 1.618 0 50 CDAA CNCCCNC(=O)[C@H](c1ccccc1F)N(C)C 95356004 BJGRQKPLQWTFLN-ZDUSSCGKSA-N 267.348 1.154 0 50 CDAA c1ccc(-c2ccnc(NCc3nnc4n3CCC4)n2)nc1 96179744 NQSDLAUEKDIWRE-UHFFFAOYSA-N 293.334 1.688 0 50 CDAA CNCc1nc([C@H]2CCOC2)nn1-c1cccc2c1CCC2 97505921 HZVCALGSUBLRLI-ZDUSSCGKSA-N 298.390 1.979 0 50 CDAA Cc1noc(CN(C)c2nc3c(s2)c(C)nn3C)n1 96137251 DYYJQDVYSNCQBD-UHFFFAOYSA-N 278.341 1.666 0 50 CDAA CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 95630376 AKHBRSJRXLGZJK-NXEZZACHSA-N 273.329 1.167 0 50 CDAA O=C(CC1CCNCC1)Nc1ccnn1CC1CC1 238147608 XEGTVUXHZJZYNF-UHFFFAOYSA-N 262.357 1.621 0 50 CDAA N[C@@H]1CC[C@@H](NCc2cc(=O)c3cccc(F)c3[nH]2)C1 95353712 YLGSTNDDQKDHER-NXEZZACHSA-N 275.327 1.637 0 50 CDAA Cc1ncsc1CCC(=O)N1CCC[C@@H]1C(=O)O 95387078 GJSKKDCKKDRZOZ-SECBINFHSA-N 268.338 1.460 0 50 CDAA CCNC(=O)CN1CCC[C@H](c2nccn2CC)C1 91965009 SIQBNIRUURBARJ-LBPRGKRZSA-N 264.373 1.219 0 50 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285.432 1.565 0 50 CDAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1ccco1 275558500 NSCVSZLQGXQWTO-SMDDNHRTSA-N 261.325 1.881 0 50 CDAA COc1ccc2c(c1)nc(CNC(=O)N1CCCC1)n2C 186016121 RAGPTZKJUUVLNI-UHFFFAOYSA-N 288.351 1.887 0 50 CDAA C[C@@H]1CC[C@H](C(=O)NCCc2nn(C)c3ccccc23)O1 186146528 AXJJIUFEWGKZTB-IAQYHMDHSA-N 287.363 1.800 0 50 CDAA C[C@@H](CCCO)NC[C@H]1CC(=O)Nc2ccccc21 170593023 KRAWQBJRRHMAOF-NWDGAFQWSA-N 262.353 1.863 0 50 CDAA CCS(=O)(=O)NCCN1CC[C@H](C)c2cccc(O)c21 170598185 DAXAYSZVTBIQSQ-NSHDSACASA-N 298.408 1.645 0 50 CDAA CC1(C)CN(C(=O)NCCCn2ccnn2)CC(C)(C)O1 170604109 POKFMLUAOZVDPE-UHFFFAOYSA-N 295.387 1.267 0 50 CDAA NC(=O)c1ccc(C(=O)NCC2(Br)CC2)cc1 585087928 BUPVIJSJPHOUSM-UHFFFAOYSA-N 297.152 1.443 0 50 CDAA CN(CCc1ccccc1)CC(=O)NCc1nccs1 585121316 LUSHAYLHGHISLD-UHFFFAOYSA-N 289.404 1.934 0 50 CDAA COc1ccccc1S(=O)(=O)NC(=O)[C@H]1CC1(C)C 752503759 KPXOQSQASYDTLQ-SECBINFHSA-N 283.349 1.546 0 50 CDAA CC(C)c1nnc2ccc(NC(=O)c3cc[nH]n3)cn12 189278043 ODIPLSWJMFIFRI-UHFFFAOYSA-N 270.296 1.828 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2C[C@H]2C2CC2)cn1 190007656 HMGWZTOBHRSYPA-RFQIPJPRSA-N 275.352 1.412 0 50 CDAA N=c1nc(N2CCOC3(CCC3)C2)c2c([nH]1)CCCC2 645202608 NBSONNOVCGYURF-UHFFFAOYSA-N 274.368 1.527 0 50 CDAA CCN(CC)C(=O)CCCNc1ncnc(N)c1Cl 192311081 GOLCXTNGDDJULU-UHFFFAOYSA-N 285.779 1.773 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)nc1 647739568 GVATXFGHJVEKRC-GFCCVEGCSA-N 286.291 1.480 0 50 CDAA CC1(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)O)C2)CC1 710148846 UWWXGLBMCWGDAJ-DTWKUNHWSA-N 261.343 1.102 0 50 CDAA Cn1nnc(CN2CC3(CCOCC3)c3ccccc32)n1 193492886 UCZZAXVUEPXIOR-UHFFFAOYSA-N 285.351 1.279 0 50 CDAA COc1cccc2c1CCN(CC1OCCO1)CC2 193708771 NFOKHQNCEPRBFY-UHFFFAOYSA-N 263.337 1.469 0 50 CDAA CCN(C(=O)[C@H]1CCCCC(=O)N1)c1nc(C)cs1 194209039 AVPGCJSTOHBOFX-SNVBAGLBSA-N 281.381 1.863 0 50 CDAA CNC(=O)c1cccnc1N[C@H](C)Cc1cc(C)[nH]n1 1529109525 COEKZQPWXXIGLM-SECBINFHSA-N 273.340 1.516 0 50 CDAA Cc1ccc(S(=O)(=O)/N=c2/cccc(C)[nH]2)cc1 409085 QKMKMLHBEZRVMT-UHFFFAOYSA-N 262.334 1.921 0 50 CDAA CNc1ccnc(N2CCN(CC(F)(F)F)CC2)n1 1506396176 CUYSCIJZWPJLGG-UHFFFAOYSA-N 275.278 1.203 0 50 CDAA CC[C@@]12COC(=O)N1CCN(CCn1cc(Cl)cn1)C2 1857682165 FQHQIGZUIFFZTP-CYBMUJFWSA-N 298.774 1.453 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2ccccc2)CC[C@@H]1O 1704312925 FIBNNJGGUBJCRE-HZSPNIEDSA-N 263.337 1.479 0 50 CDAA CC1=CC2(CCN(C(=O)c3coc(CN)n3)CC2)OCC1 1704315735 UWABVMXTZRUVBT-UHFFFAOYSA-N 291.351 1.475 0 50 CDAA CC(C)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CC1(F)F 334620315 OCJLEKXAXZKCFR-BDAKNGLRSA-N 260.284 1.015 0 50 CDAA CCc1nn(C)cc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615001551 VMFNPONZNMIBFZ-HUUCEWRRSA-N 284.363 1.337 0 50 CDAA Cc1ncc(CNC(=O)[C@@H]2COCCN2CC2CCC2)o1 1615002951 RBUGIDCUBVKOBX-AWEZNQCLSA-N 293.367 1.100 0 50 CDAA CN(C)[C@@H](CNc1c[n+]([O-])ccn1)c1c(F)cccc1F 1615552300 STELDLBWJMYPGV-LBPRGKRZSA-N 294.305 1.708 0 50 CDAA CC(C)(C)[C@@H](CO)CNC(=O)[C@H]1CCc2cncn2C1 1615554894 ZHDJCCQFJNOQQZ-NWDGAFQWSA-N 279.384 1.216 0 50 CDAA CC[C@@]12C[C@H]1CN(C(=O)CCn1ccccc1=O)C2 1772814315 SIQUHQPWMHWFRI-WFASDCNBSA-N 260.337 1.497 0 50 CDAA COCc1nnc(N[C@H](C)Cc2ncccc2C)o1 1772712240 QDYGHOXRTMUFAO-SNVBAGLBSA-N 262.313 1.963 0 50 CDAA Cn1ccc(C2CCN(C[C@@H]3CCCOC3)CC2)cc1=O 1772811812 ZYSCJXOXZYJKLI-AWEZNQCLSA-N 290.407 1.991 0 50 CDAA CC(C)CNC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250558181 FSXKBBKWEXIHJQ-UPJWGTAASA-N 282.384 1.476 0 50 CDAA O=c1[nH]c2cc(Cl)ccc2n1C1CCNCC1 5019445 DOAYWDKFDPSTSV-UHFFFAOYSA-N 251.717 1.908 0 50 CDAA world CC[C@@H](C(=O)NC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13715993 YLXOTZJKKOGKIA-ZDUSSCGKSA-N 298.408 1.594 0 50 CDAA C[C@@H](Cc1cnccn1)NC(=O)c1ccc2c(c1)OCCO2 19790813 ROMQURUGZQZOGR-NSHDSACASA-N 299.330 1.609 0 50 CDAA Cc1nn(C)c(C)c1CN(C)C(=O)c1ccn2ncnc2c1 1857701969 UQMFWOPPQIQXFF-UHFFFAOYSA-N 298.350 1.352 0 50 CDAA CC[C@@H](NC1CCC(NC(C)=O)CC1)[C@H]1CCCO1 133668008 XYHPBYKTNMMLEK-NEXFUWMNSA-N 268.401 1.981 0 50 CDAA COc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1 2417872 IEUDPMCMNRZMOL-UHFFFAOYSA-N 285.303 1.345 0 50 CDAA COC(=O)Cc1occc1C(=O)Nc1ccncc1 225796625 SRHNXUUWYXDCAG-UHFFFAOYSA-N 260.249 1.642 0 50 CDAA Cc1ccc(NC(=O)C(=O)NC[C@H](C)O)cc1Cl 2991466 DXRRIJKSSWAUTJ-QMMMGPOBSA-N 270.716 1.084 0 50 CDAA CC(C)[C@H](N)C(=O)NCc1ccn(C2CCCC2)n1 236770947 FVVXTRMNTHIBRE-ZDUSSCGKSA-N 264.373 1.598 0 50 CDAA CC(C)CN(C)CCn1cc(C(=O)N2CCCCC2)nn1 14986564 UXCLARYVIBUXCO-UHFFFAOYSA-N 293.415 1.492 0 50 CDAA C[C@H]1C[C@@H](CO)CCN1C(=O)CC[C@H]1CCCO1 253418704 DTMHDTKEOARFCQ-RWMBFGLXSA-N 255.358 1.565 0 50 CDAA COc1ccnc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)n1 583615414 AHZPQAINWVTANA-QWHCGFSZSA-N 289.310 1.937 0 50 CDAA CCC1(CC)[C@@H](NC(=O)c2n[nH]cc2F)C[C@H]1OC 585135560 QGWBNJUDYJBNJM-VHSXEESVSA-N 269.320 1.872 0 50 CDAA C[C@@H](Cc1ccc(NC(=O)[C@@H]2COCCO2)cc1)C(=O)O 262811034 PDQRCCGRRXSHTC-GWCFXTLKSA-N 293.319 1.304 0 50 CDAA Cc1cc[nH]c1C(=O)NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 818636492 SDOFXLPBDSKNKP-SMDDNHRTSA-N 288.351 1.944 0 50 CDAA C[C@@H](NC(=O)c1ccccc1CCC(=O)O)c1cnccn1 911778590 YSHUDOYQFXKAEH-LLVKDONJSA-N 299.330 1.985 0 50 CDAA Cc1nc(CNC(=O)c2c(C)noc2C)sc1C(=O)O 110788543 DFUAXMYMWQVBPY-UHFFFAOYSA-N 295.320 1.685 0 50 CDAA CC(C)[C@@H](CC(=O)O)NC(=O)c1ccc(F)c(O)c1 223694908 SJSRGWDIVYBGHL-SNVBAGLBSA-N 269.272 1.760 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)Cc1ccsc1 65395978 XFWJENBTNOPDCZ-MNOVXSKESA-N 264.350 1.170 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)[C@H]1CCCC[C@@H]1O 328625506 DFESCKJDVGYFHD-IHRRRGAJSA-N 263.385 1.681 0 50 CDAA CN1CCC[C@@H](CCNC(=O)CCc2cn[nH]c2)C1 534584968 UQYYGCGMLXENLJ-LBPRGKRZSA-N 264.373 1.190 0 50 CDAA CCCc1nc(CN[C@H]2CCNC(=O)CC2)cs1 534640838 OILHCIWKSVLWOJ-SNVBAGLBSA-N 267.398 1.854 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)CCC(F)(F)F 643848863 NRSNOZHCURXLPN-SNVBAGLBSA-N 283.246 1.421 0 50 CDAA Cc1nnc(CN(C)CCCn2cccn2)s1 670437014 VAZGOZDUSMARQR-UHFFFAOYSA-N 251.359 1.565 0 50 CDAA COc1nscc1CN(C)C(=O)C1(C(=O)O)CCC1 723202542 VINKYPTZTGQOQD-UHFFFAOYSA-N 284.337 1.365 0 50 CDAA C[C@@H]1C[C@H](C(=O)O)CN(Cc2ccc(CO)cc2)C1 398956569 RWTLFCNRBUQVEU-RISCZKNCSA-N 263.337 1.722 0 50 CDAA CCN=c1ccnc(-c2cc3c(cc2OC)OCO3)[nH]1 2100556869 UAGMZPXRLNZRCT-UHFFFAOYSA-N 273.292 1.735 0 50 CDAA Cc1c[nH]c(C(=O)NC2(C(=O)O)CC(F)(F)C2)c1 2325788437 GOKBRJDLEDNVDU-UHFFFAOYSA-N 258.224 1.305 0 50 CDAA C[C@@H]1C[C@@H]2CN(C(=O)c3cc[nH]c4nccc3-4)CCN2C1 2325796578 ZGGGZXPYBQCWMJ-VXGBXAGGSA-N 284.363 1.681 0 50 CDAA C[C@@H](C(=O)NC[C@@]1(C)C[C@@H]1c1ccccc1)c1nn[nH]n1 2325807864 ZLBVGUDKRYODGU-IXPVHAAZSA-N 285.351 1.613 0 50 CDAA CC[C@@H](C)CC(=O)C(=O)N[C@H](C)C(=O)NCC(C)C 2325813767 VNBIQCHIWNLXKH-GHMZBOCLSA-N 270.373 1.269 0 50 CDAA CO[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)[C@H](C)C1 1433932358 MPLCIMMDTHRMLQ-VXGBXAGGSA-N 288.351 1.457 0 50 CDAA COC(=O)[C@@H]1CN(C(=O)c2ccccn2)Cc2ccccc21 1438194710 UXZUIXWHASGPCN-CQSZACIVSA-N 296.326 1.994 0 50 CDAA CCN1C[C@@H](NC(=O)c2cccn3nccc23)C(C)(C)C1 974766110 KDSVAGQMROGLGC-CQSZACIVSA-N 286.379 1.794 0 50 CDAA C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23 57097 NVKWWNNJFKZNJO-RXMQYKEDSA-N 281.214 1.931 0 50 CDAA in-vitro COc1cc(C=O)cc(I)c1O 117579 FBBCSYADXYILEH-UHFFFAOYSA-N 278.045 1.818 0 50 CDAA biogenic,in-vitro CCOC(=O)[C@H]1CCCN(C2CCN(CC)CC2)C1 221285 PUIJDEPPTRRDJD-ZDUSSCGKSA-N 268.401 1.746 0 50 CDAA CC1(C)NC(c2cccnc2)=[N+]([O-])[C@]1(O)c1ccccc1 300178 RKGJTVCSPDBIRY-INIZCTEOSA-N 283.331 1.566 0 50 CDAA biogenic O=C(NN1CCOCC1)c1cccc(Br)c1 437486 WMYPBTVOJJDJQJ-UHFFFAOYSA-N 285.141 1.426 0 50 CDAA CC(=O)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 1242867 UBOMMBJQZOVVPM-MRVPVSSYSA-N 257.297 1.890 0 50 CDAA CCc1ccc2[nH]cc(/C=C3\NC(=O)NC3=O)c2c1 1857800398 PNUOIVBBPQLXLI-SDQBBNPISA-N 255.277 1.911 0 50 CDAA CNC(=O)COc1ccc(-c2ccc(CCN)cc2)cc1 2356135777 SNAAQJZLDNONHY-UHFFFAOYSA-N 284.359 1.980 0 50 CDAA C[C@H](c1cccnc1)N1CCO[C@@H](Cn2cncn2)C1 229499301 GRIHUDVFILOXRD-TZMCWYRMSA-N 273.340 1.135 0 50 CDAA CC(=O)NCc1ccc(-c2nc(-c3ncccn3)no2)cc1 225556460 WIMMNCVJHPWJHZ-UHFFFAOYSA-N 295.302 1.830 0 50 CDAA O=C(c1ccc[nH]1)N1CCN(Cc2ccccc2CO)CC1 55211314 CQMXMNNBXGHFOG-UHFFFAOYSA-N 299.374 1.465 0 50 CDAA CC1(C)[C@H](NC(=O)c2ccc(C(N)=O)cc2)[C@H]2CCO[C@H]21 247193476 MNQMZUWKHKMNRZ-JHJVBQTASA-N 288.347 1.329 0 50 CDAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccnnc1 345875213 OMBJJZUHZADVGH-LLVKDONJSA-N 291.694 1.686 0 50 CDAA Cc1cnc(Cn2ccc3nc(O)c(C#N)cc3c2=O)cn1 67803906 WRNODBAVDMCPJF-UHFFFAOYSA-N 293.286 1.121 0 50 CDAA CN1CCN(CC2CCN(c3ncc(F)cn3)CC2)CC1 301785746 PIHKSZTXSPSADQ-UHFFFAOYSA-N 293.390 1.080 0 50 CDAA CCOc1ccnc(N[C@@H](C)Cc2cnccn2)n1 65408090 VHLUNQCKBFUQGV-JTQLQIEISA-N 259.313 1.708 0 50 CDAA CN1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1=O 351959657 RRNFCWMHDYZOPJ-FRRDWIJNSA-N 264.369 1.851 0 50 CDAA Cc1nnc(O)c(C(=O)N2C[C@H](CO)c3ccccc32)c1C 331985583 LVKJTNKGYJCTBF-LLVKDONJSA-N 299.330 1.535 0 50 CDAA NC(=O)c1cccnc1NCc1cc(-c2ccccn2)no1 32537377 NHQLDJJXSAQPMJ-UHFFFAOYSA-N 295.302 1.843 0 50 CDAA CCC(CC)[C@@H](O)CNC(=O)CN1CCC[C@H]1C 252510588 ALHFOLYQTHYDHP-YPMHNXCESA-N 256.390 1.384 0 50 CDAA O=C(Nc1ccccn1)c1c(O)nc2ccccn2c1=O 1394278 NWOWHHPIANAFNJ-UHFFFAOYSA-N 282.259 1.047 0 50 CDAA Cc1c(O)cccc1C(=O)NCCc1nccn1C 125778316 LZCUKWLSDQOCOE-UHFFFAOYSA-N 259.309 1.407 0 50 CDAA O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cncc(O)c1 331418746 ORKPICOMOKEROL-GFCCVEGCSA-N 292.335 1.245 0 50 CDAA Cc1n[nH]c(C)c1CNc1cc(C2CC(N)C2)nc(N)n1 218904525 CDPYUAZFHHGRIY-UHFFFAOYSA-N 287.371 1.216 0 50 CDAA Cc1ccccc1CNC(=O)NC[C@@H]1CNCCOC1 72172670 ZZYJLBNWQKKSQJ-ZDUSSCGKSA-N 277.368 1.030 0 50 CDAA CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1c(C)n[nH]c1C 253425425 KQBOELZLVARATJ-OTYXRUKQSA-N 267.373 1.482 0 50 CDAA Cc1nn(C)c2nc(NC[C@@H]3CCCO3)sc12 219623517 KLGLTOCNJLHYJA-QMMMGPOBSA-N 252.343 1.929 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)Cc1cc(F)cc(F)c1 215184526 MLHQSYIBEURLBB-UHFFFAOYSA-N 265.263 1.889 0 50 CDAA CO[C@H]1COCC[C@@H]1CC(=O)N1CCCc2n[nH]cc21 333420112 IYPZWBLZTCUOOZ-MFKMUULPSA-N 279.340 1.131 0 50 CDAA c1ccc(CCN2CCC(NCCn3ccnn3)CC2)cc1 123675093 DFSKCBXKHRAWLR-UHFFFAOYSA-N 299.422 1.575 0 50 CDAA Cc1ccoc1C(=O)N1CCNC[C@H]1c1nccn1C 261713162 KRTGHVGXCVNVTP-NSHDSACASA-N 274.324 1.108 0 50 CDAA CC[C@H](NC(=O)c1ncccc1O)c1nc(C)no1 219373367 NXIYIORFIGIWCG-QMMMGPOBSA-N 262.269 1.360 0 50 CDAA CC[C@@H](NC(=O)C(=O)c1ccco1)c1cnn(C)c1 219130823 KOMUZPYWHOPJKC-SNVBAGLBSA-N 261.281 1.463 0 50 CDAA CC1(C)[C@@H](c2nc3ccccc3c(=O)[nH]2)[C@H]1C(=O)O 216628794 FXLQOQOGOJBESS-ZJUUUORDSA-N 258.277 1.747 0 50 CDAA Cn1c(=O)cc(C(=O)NC[C@@H]2CCCN2)c2ccccc21 334591919 YYNOUKUFXLRUMN-NSHDSACASA-N 285.347 1.020 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCC(c2cnccn2)CC1 373578276 QQZACRSFQQMRCO-INIZCTEOSA-N 297.358 1.916 0 50 CDAA Cc1cc(=NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc[nH]1 335395437 NQTFSRNUGJYEOK-YPMHNXCESA-N 261.325 1.455 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2oc(C)cc2C)N(C)C1 284612007 KJRJIZPDHKFMCC-STQMWFEESA-N 280.368 1.688 0 50 CDAA c1nc(N2CCOCC2)ncc1CNCC1(C2CC2)CC1 130731026 URXRWERNQDROHF-UHFFFAOYSA-N 288.395 1.593 0 50 CDAA Cc1ncc(C(=O)N[C@@](C)(CC(=O)O)C(C)C)c(C)n1 263000287 OVFPFEFLIQYEKA-AWEZNQCLSA-N 279.340 1.713 0 50 CDAA CO[C@H](CN1C[C@H](O)C[C@@H]1CO)c1ccc(Cl)cc1 241383455 MVLKNDFMRJKBSU-MGPQQGTHSA-N 285.771 1.455 0 50 CDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@H]2C=C[C@H]21 229941435 YDNMGENVHPNQIA-MQYQWHSLSA-N 279.299 1.269 0 50 CDAA O=C1N(CCCF)c2ccccc2NC12CCNCC2 85534015 MCZRCLDKMWEQNO-UHFFFAOYSA-N 277.343 1.927 0 50 CDAA CSCCCN1CCn2nc(CNC(C)=O)cc2C1 82137237 REEQEQGDZFFVJP-UHFFFAOYSA-N 282.413 1.088 0 50 CDAA Cc1nc(CNC(=O)[C@H]2CCCO2)nc2c1CCCC2 221366366 YODRQFHTBJJCMH-CYBMUJFWSA-N 275.352 1.459 0 50 CDAA Cc1c[nH]nc1CN1CCNC(=O)C[C@H]1c1ccccc1 290346799 FEFRWNGLERPQCX-HNNXBMFYSA-N 284.363 1.781 0 50 CDAA COC[C@H]1CCC[C@H]1NC(=O)c1cc(Cl)c[nH]c1=O 221436625 VDQOJWUEPYIERV-LDYMZIIASA-N 284.743 1.573 0 50 CDAA COc1cc(-c2ccc3c(c2)OCO3)nc(OC)n1 426485612 GEMJSFMDKOBJHE-UHFFFAOYSA-N 260.249 1.890 0 50 CDAA CN1CCO[C@H](C(=O)Nc2c[nH]nc2-c2ccccc2)C1 178458468 GVGUKPNKZLXWOM-ZDUSSCGKSA-N 286.335 1.346 0 50 CDAA CNC(=O)[C@H]1CCN(S(=O)(=O)c2cc(C)ccc2C)C1 335140804 FDXVVYOBWGIWOZ-LBPRGKRZSA-N 296.392 1.060 0 50 CDAA O=C(NC1(c2ccc(Cl)cc2)CCC1)[C@H]1C[C@@H](O)CN1 97468054 MRWIJLZJJDDLGP-CHWSQXEVSA-N 294.782 1.558 0 50 CDAA OCc1nc(C2CCOCC2)nn1-c1nc2ccccc2[nH]1 97499522 FIBVSBBMCSAISI-UHFFFAOYSA-N 299.334 1.530 0 50 CDAA Cn1cc(C(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)cn1 91914697 ZURXYXDJYKZIFG-HNNXBMFYSA-N 299.374 1.617 0 50 CDAA CC(C)c1nccn1[C@H](C)C(=O)NCCN1CCOC1=O 95357497 ZAXBQDAVJBDSAM-LLVKDONJSA-N 294.355 1.136 0 50 CDAA Cc1csc([C@@H](C)N(C)C(=O)c2[nH]cnc2C(=O)O)n1 97604116 ARLLNGOSFBEMEL-SSDOTTSWSA-N 294.336 1.706 0 50 CDAA CN(CCC[C@H]1CCCO1)C(=O)Nc1cnn(C)c1 96164447 GYMZWKROUXQNSC-LBPRGKRZSA-N 266.345 1.843 0 50 CDAA Cc1ncc(C(=O)Nc2cccc3c2OCCO3)c(=N)[nH]1 534847618 NBQWAKIAJPJNFJ-UHFFFAOYSA-N 286.291 1.221 0 50 CDAA O=C(c1cncc(-c2cn[nH]c2)n1)N1CCCCC1 97515210 MNNZTHVYXBDPSG-UHFFFAOYSA-N 257.297 1.493 0 50 CDAA CSCC[C@@H](O)C(=O)N1CCC(c2nccn2C)CC1 91907538 RWBLCROTDXJXOJ-GFCCVEGCSA-N 297.424 1.240 0 50 CDAA c1csc(N2CCN(c3nnc(C4CC4)o3)CC2)n1 95375867 MOLJYPJVMSAVRB-UHFFFAOYSA-N 277.353 1.730 0 50 CDAA Cc1nnsc1CN(C)C(=O)COC[C@@H]1CCCCO1 243892984 ANDWIWGYQGZRLS-NSHDSACASA-N 299.396 1.391 0 50 CDAA c1cnn(CCC2CCN(CCc3cn[nH]c3)CC2)c1 244899833 ZRFOFTWQIHCTTL-UHFFFAOYSA-N 273.384 1.951 0 50 CDAA COCc1noc(CN2CCN(C)c3cc(F)ccc32)n1 182681417 XOGQURIYYDCZPV-UHFFFAOYSA-N 292.314 1.812 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCNC[C@H]2O)sc1C 534663332 OWOWTLWABMHEJI-WDEREUQCSA-N 268.382 1.065 0 50 CDAA CN[C@H]1CNC(=O)c2cc(-c3ccc(C)cc3)nn21 263618881 VYINAJWSOUZTBX-CYBMUJFWSA-N 256.309 1.320 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1cnn(CC)c1C 534676177 JTLDXXYXICTJAC-JTQLQIEISA-N 290.371 1.704 0 50 CDAA COCCOc1ccc(-c2nc[nH]c3ncnc2-3)cc1 534590179 LJDKJJRRXAIUKQ-UHFFFAOYSA-N 270.292 1.997 0 50 CDAA CS(=O)(=O)CCC(=O)N1CC[C@H]1c1ccc(F)cc1 618049350 AKOBZOPSSHRIOA-LBPRGKRZSA-N 285.340 1.534 0 50 CDAA C=CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1335317414 YGNLUSPBKVKNCY-JTQLQIEISA-N 254.330 1.640 0 50 CDAA c1ccc2c(NC[C@@H]3C[C@@H]4COC[C@@H]4O3)ncnc2c1 724566089 AFATYFTYHMEDJF-SUNKGSAMSA-N 271.320 1.846 0 50 CDAA Cc1nc(-c2ccccc2)c(NC(=O)C(N)=O)s1 825313069 UPCVXKVAXJGJFG-UHFFFAOYSA-N 261.306 1.542 0 50 CDAA CC[C@H](NC(=O)CCCn1cnnn1)c1ccncc1 822662133 FUJYLVUQBIKTPX-LBPRGKRZSA-N 274.328 1.116 0 50 CDAA Cc1cc(C(=O)NCc2nc(C)cc(C)n2)nc(C)n1 825264556 VHEVETFLJGNOGT-UHFFFAOYSA-N 271.324 1.430 0 50 CDAA O=S1(=O)CC[C@H](Nc2nc(-c3ccccc3)no2)C1 828395638 TVGKKJLSHBIMKZ-JTQLQIEISA-N 279.321 1.336 0 50 CDAA CCS(=O)(=O)N[C@@H](c1cccc(C)n1)C1CC1 823412845 WEZKOOPXRWTNJV-GFCCVEGCSA-N 254.355 1.780 0 50 CDAA Cc1nc(O)c(Cl)c(N[C@@H](C)CN2CCOCC2)n1 584890688 OBTBLMSEUNBTAV-QMMMGPOBSA-N 286.763 1.277 0 50 CDAA Cc1cccc2nc(CN(C)CCn3cnnc3)[nH]c12 670471439 HXEGPQOHQJELDJ-UHFFFAOYSA-N 270.340 1.595 0 50 CDAA CN1CCC(CNc2ncc(Cl)cn2)(N(C)C)CC1 670456858 LYPPAGOJIZVFFI-UHFFFAOYSA-N 283.807 1.568 0 50 CDAA C[C@@H]1[C@@H](N(C)C)CCN1C(=O)c1ccc(C(=O)O)cc1F 685944981 MNNJDHQNAFWZSQ-RNCFNFMXSA-N 294.326 1.689 0 50 CDAA Cn1ncc2ccc(CNC(=O)N3C[C@@H]4CC[C@]4(N)C3)cc21 1553488520 SRPRXQMUTGKRQW-BBRMVZONSA-N 299.378 1.206 0 50 CDAA CC(=O)c1ccccc1N1CCN(c2nncn2C)CC1 1875286801 GVOKUKZPVXENTM-UHFFFAOYSA-N 285.351 1.344 0 50 CDAA CC1(C)CCN(S(=O)(=O)CCO[C@@H]2CCOC2)CC1 1875289642 GEWZDVMAMYGCBA-GFCCVEGCSA-N 291.413 1.244 0 50 CDAA Cn1cnc2cc(C(=O)N[C@H](CC3CC3)C(=O)O)ccc21 630156889 AAVIQARIQFIBLR-GFCCVEGCSA-N 287.319 1.556 0 50 CDAA N=c1ncc(-c2cc(=O)ccn2Cc2ccccc2)c[nH]1 1875339675 TUSTYFZTXBUGCY-UHFFFAOYSA-N 278.315 1.766 0 50 CDAA CCCC[C@@H]1C=CCN1C(=O)[C@H]1CCCN(CC(N)=O)C1 952867556 OYMAASWJWSBAPR-UONOGXRCSA-N 293.411 1.141 0 50 CDAA COCCn1cnnc1[C@@H](C)NCc1cccc(O)c1 952869942 QOVHBPOPMNQBAF-LLVKDONJSA-N 276.340 1.481 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C[C@H](c2ccccc2)O1 268927409 WOHDFJFUBALOTB-RUZUBIRVSA-N 289.331 1.696 0 50 CDAA COCCC1CCN(c2ccc(C(N)=O)cn2)CC1 1331314813 LFGYDXURYLRSQN-UHFFFAOYSA-N 263.341 1.433 0 50 CDAA Cc1csc(CN2CCCN(c3ncccn3)CC2)n1 244773922 PISYZFNOZNEBRK-UHFFFAOYSA-N 289.408 1.954 0 50 CDAA O=C([C@@H]1CCc2nncn2C1)N1CC(Cc2ccoc2)C1 890574589 PDGJAVDSSZNQMG-CYBMUJFWSA-N 286.335 1.135 0 50 CDAA COc1ccc(CS(=O)(=O)C(C)(C)CO)cc1F 888093485 XYHXSNMBWVLGCV-UHFFFAOYSA-N 276.329 1.520 0 50 CDAA CC(C)c1nn(C)cc1-c1noc([C@H]2OCC[C@H]2CN)n1 888078471 UYNRPEGZRUPKLF-CABZTGNLSA-N 291.355 1.630 0 50 CDAA COC(=O)c1oc(Cn2cccc(OC)c2=O)cc1C 888101035 QEZGNSRHYYYANQ-UHFFFAOYSA-N 277.276 1.593 0 50 CDAA O=C(Cc1c[nH]c2cccc(Cl)c12)N1CC[C@H]1CO 889154487 KQCOBJIHWPPACN-JTQLQIEISA-N 278.739 1.957 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)c2ccsc2)C1 630249396 MKVSOEOLRYMWRZ-NSHDSACASA-N 255.295 1.064 0 50 CDAA Cn1cc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)nc1O 1520763199 CVJSFDWJFAWULG-SECBINFHSA-N 267.329 1.202 0 50 CDAA NCC1([C@H]2CCCCN2C(=O)c2cnncc2O)CCC1 1775731505 QZRUAYCGJMRQSN-CYBMUJFWSA-N 290.367 1.306 0 50 CDAA C[C@H](O)C[C@H](C)NC(=O)c1ccc2nc(Cl)nn2c1 1776005314 CIEABYOIJRQZLE-YUMQZZPRSA-N 282.731 1.272 0 50 CDAA CC1(C)COCCN1C(=O)c1cc(O)nc(C2CC2)n1 578879961 AHICPUOHXCGVQC-UHFFFAOYSA-N 277.324 1.311 0 50 CDAA O=C(NCCF)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 390834688 PAFZGGOQTVGMNP-STQMWFEESA-N 287.379 1.023 0 50 CDAA CCN(C(=O)c1cc(C)sn1)[C@H](C)CS(C)(=O)=O 277716821 WVDOMSPYFIIACR-MRVPVSSYSA-N 290.410 1.347 0 50 CDAA Cn1c(O)nc2cc(C(=O)N3CCn4cncc4C3)ccc21 582818560 FAYWANHHXOKLNL-UHFFFAOYSA-N 297.318 1.131 0 50 CDAA C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@H]1CCN(C)C(=O)C1 170606095 DZWWPJRBSQDNNG-ZYHUDNBSSA-N 294.326 1.330 0 50 CDAA NCCC(=O)N1CCC[C@H](COc2ccccc2)C1 170673792 YVPBJACJVKTACD-ZDUSSCGKSA-N 262.353 1.653 0 50 CDAA CC[S@](=O)CC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 170617877 ZNFFNQKTCJLNKX-UGZDLDLSSA-N 287.356 1.780 0 50 CDAA CCc1nsc(N2CCOC[C@@H]2C(=O)OC(C)(C)C)n1 585093028 YTKUIOZPOJVHAA-SECBINFHSA-N 299.396 1.647 0 50 CDAA CCCCOc1ncccc1CNC(=O)C(OC)OC 585121026 CHSHOLOKLLHAEC-UHFFFAOYSA-N 282.340 1.496 0 50 CDAA C[C@@H]1CCS(=O)(=O)CCN1Cc1cccc2c1OCO2 192059064 YINVGCHZROTKSD-LLVKDONJSA-N 297.376 1.424 0 50 CDAA CC(C)c1nccn1Cc1nnnn1CC(F)(F)F 192138904 FSYIJGQNTAJYJS-UHFFFAOYSA-N 274.250 1.604 0 50 CDAA CN1CCC([C@@H]2CCN(c3ncccc3C(=O)O)C2)CC1 647451635 BLLRFKISIKDUTN-CYBMUJFWSA-N 289.379 1.948 0 50 CDAA Cc1ncc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)c(C)n1 192941786 CLYDWHIXWBEXMA-CYBMUJFWSA-N 297.314 1.922 0 50 CDAA Nc1cc(CN2CCC[C@H](CN3CCOCC3)C2)ccn1 193345368 QLOYCIHCXHPSRB-OAHLLOKOSA-N 290.411 1.208 0 50 CDAA O=C(c1ccc(Cl)nc1)N1CC[C@H]2CC[C@@H](C1)N2 195543003 YKLNJLGWRPQOOT-MNOVXSKESA-N 265.744 1.702 0 50 CDAA O=C(N[C@@H]1CCc2n[nH]cc2C1)c1cc2c([nH]1)CCCC2 572453033 LWRKJSKQKZOPET-GFCCVEGCSA-N 284.363 1.904 0 50 CDAA Cc1nnc([C@H]2CN(Cc3cnn(C)c3C)C[C@@H](C)O2)o1 661929552 DMJAKRZXBDTOKB-NOZJJQNGSA-N 291.355 1.382 0 50 CDAA CC(C)c1cc(NCCCN2CCN(C)CC2)ncn1 95354137 XOQVDJFJGYCTLU-UHFFFAOYSA-N 277.416 1.649 0 50 CDAA Cn1ccnc1NC(=O)CN1CCc2ccccc2C1 1529186929 MRPKBJWWUQAECS-UHFFFAOYSA-N 270.336 1.417 0 50 CDAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(C(C)=O)C[C@H]21 1857667315 LPHMOJYGUUOBKU-FTYKPCCVSA-N 251.326 1.466 0 50 CDAA O=C(Cc1ccc(O)c(F)c1)NC[C@@H]1CC1(F)F 1857702156 BWHOAKNDBOPTQZ-QMMMGPOBSA-N 259.227 1.845 0 50 CDAA COc1cc(F)ccc1CN1CC[C@H](C(=O)O)[C@H](O)C1 1704311744 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1772808011 DXXOTXSGUVUMLB-UHFFFAOYSA-N 281.319 1.928 0 50 CDAA O=c1cc(Br)cnn1Cc1ccccn1 1772718264 CXKKPSIEXQGDOX-UHFFFAOYSA-N 266.098 1.449 0 50 CDAA CCN1CCn2c(Cc3ccc(OC)cc3)nnc2C1=O 1772814212 OCZDQZISXUEFOM-UHFFFAOYSA-N 286.335 1.353 0 50 CDAA O=C1COC2(CCNCC2)CN1c1ccc(F)cc1 114483369 QUMXANXLCLTLLL-UHFFFAOYSA-N 264.300 1.311 0 50 CDAA CC(=O)CCC(=O)OC[C@H](C(=O)O)c1ccccc1 5495275 NEFARMGHGZUUSD-LBPRGKRZSA-N 264.277 1.767 0 50 CDAA C[C@H]1C[C@H](C)CC[C@@H]1COC(=O)CN1CCOCC1 13563121 PERICOBHNFPNIP-HZSPNIEDSA-N 269.385 1.934 0 50 CDAA COc1cccc(C=O)c1OCCN1C[C@H](C)O[C@H](C)C1 16488885 BLJGUMXPDNDKPL-BETUJISGSA-N 293.363 1.996 0 50 CDAA C[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 18093456 QTBUXILHWPVLME-SNVBAGLBSA-N 295.408 1.539 0 50 CDAA CCOc1ccc(CN2CCN(CCO)CC2)cc1 19606518 UKYZGPDBBYRKMK-UHFFFAOYSA-N 264.369 1.195 0 50 CDAA CC(C)n1cc(-c2nc(CCN3CCCC3=O)no2)cn1 19743174 FIYOVBXJOHRBEZ-UHFFFAOYSA-N 289.339 1.679 0 50 CDAA CCCc1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1 19799941 GUQILEUQWFJKCU-UHFFFAOYSA-N 281.377 1.510 0 50 CDAA COC(=O)Nc1ncc(CN2CCOCC2)s1 19920740 ZVFJEWNRHDJBAR-UHFFFAOYSA-N 257.315 1.154 0 50 CDAA Cc1noc([C@@H]2CCCN2C(=O)CNc2cccnc2)n1 1857686054 GDRIVFQZOSYTHA-LBPRGKRZSA-N 287.323 1.549 0 50 CDAA Cc1nn(C)cc1CNC(=O)[C@@]1(C)CC12CCNCC2 1857706961 DDZKDCNQHKWCPQ-CQSZACIVSA-N 276.384 1.125 0 50 CDAA CCN1CCN(C(=O)c2ccccn2)C[C@H]1c1ncc[nH]1 328633354 SNLNWLVPTHTREY-ZDUSSCGKSA-N 285.351 1.324 0 50 CDAA N[C@@H]1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 237926893 DGABYGNNOFDJOF-HIFRSBDPSA-N 290.363 1.418 0 50 CDAA Cc1ccccc1[C@H](CO)Nc1ncnc2c1ncn2C 673817317 QPOGXZMRRLSQFC-LBPRGKRZSA-N 283.335 1.817 0 50 CDAA O=C(NCCc1ccccn1)[C@@H](CO)c1ccccc1 585099421 FOZPFZUJHOSQCN-HNNXBMFYSA-N 270.332 1.516 0 50 CDAA O=C(O)[C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccoc1)C2 263511616 YAHDBGLFZKPMQU-JOYOIKCWSA-N 285.321 1.155 0 50 CDAA CCn1ncc(-c2nc([C@@H](C)[C@H]3CCCO3)no2)n1 903824300 MOQJPOOSPVNMIF-WCBMZHEXSA-N 263.301 1.631 0 50 CDAA O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)C1CCC1 911052518 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328646217 SNLZTCFUDHKOBY-XJFOESAGSA-N 263.385 1.991 0 50 CDAA FC(F)(F)CN1CCN(CC[C@H]2CCOC2)CC1 437574254 AXBUOMBAAUQPFM-NSHDSACASA-N 266.307 1.593 0 50 CDAA Cc1nn(C)c(C)c1CN(C)CC[C@@H]1CCS(=O)(=O)C1 670460140 RPQNODNHNZPMEQ-CYBMUJFWSA-N 299.440 1.294 0 50 CDAA Cc1nc(N2C[C@@H](O)[C@H](O)C2)c2c(C)c(C)sc2n1 388318512 MHXQCMFTGPZVEV-NXEZZACHSA-N 279.365 1.158 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N1CCc2cc(Cl)ccc21 2325769129 JOGBNCCMMOVUBO-RNCFNFMXSA-N 280.755 1.606 0 50 CDAA CN(CCC(=O)O)C(=O)c1cc2cc(Cl)ccn2n1 2325796080 RRQCNSWZRVMEAY-UHFFFAOYSA-N 281.699 1.534 0 50 CDAA O=C(N[C@H]1C=C[C@@H](C(=O)O)C1)c1ncnc2sccc12 2325865185 QXCOOMUNLBGYCR-SFYZADRCSA-N 289.316 1.450 0 50 CDAA COc1ccc(NC(=O)CSc2nnc(N)s2)cc1 76400 YKMXYAUVBJPIHD-UHFFFAOYSA-N 296.377 1.860 0 50 CDAA O=C(O)[C@@H](Cc1cnc[nH]1)NC(=S)Nc1ccccc1 2290623 VNJYWYZOAOWLIT-LLVKDONJSA-N 290.348 1.392 0 50 CDAA COc1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1 2900020 JCHNFUCMIBHSKU-UHFFFAOYSA-N 298.342 1.628 0 50 CDAA COC(=O)[C@](O)(c1ccc(N)c(OC)c1)C(F)(F)F 3103080 ALUXNDKOCCYMEV-SNVBAGLBSA-N 279.214 1.200 0 50 CDAA Cn1cnnc1SCC(=O)Nc1cccc(C(=O)O)c1 3269560 RDOYILDEAZBWGZ-UHFFFAOYSA-N 292.320 1.244 0 50 CDAA CCc1ncnc(N2CCN(C3CC3)C[C@H]2C)c1F 2356159540 GCPWQJUJORFWAK-SNVBAGLBSA-N 264.348 1.851 0 50 CDAA O=C(O)c1ccccc1OCCN1CCOCC1 6681911 DSVCENFXJDYZHH-UHFFFAOYSA-N 251.282 1.096 0 50 CDAA Cn1nnnc1NCc1cccc(Br)c1 6697410 RWHPXERJMCWKMA-UHFFFAOYSA-N 268.118 1.585 0 50 CDAA CS(=O)(=O)N1CCN(c2ccccc2Cl)CC1 6699734 PEPWZCPDRWLFAQ-UHFFFAOYSA-N 274.773 1.422 0 50 CDAA C[C@H](O)CN1CCN(C[C@@H](O)c2cccc(F)c2)C[C@H]1C 248318303 OIERGGADFLJKQW-DVOMOZLQSA-N 296.386 1.246 0 50 CDAA COC(=O)c1sc2c(c1Br)CNC2 307265021 BELXMXYCUGNYOU-UHFFFAOYSA-N 262.128 1.900 0 50 CDAA COC[C@H](C)NCC(=O)Nc1ccc(F)cc1C 65506310 OZEDYTYPFFTZHR-JTQLQIEISA-N 254.305 1.697 0 50 CDAA Cc1cc(C)n(CCCC(=O)N2[C@H]3CC[C@@H]2CCNC3)n1 65453399 WFDHEKVYQCBFPJ-CABCVRRESA-N 290.411 1.633 0 50 CDAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cncn2C)cn1 328629556 IIDLQKQKBSHTLW-LSDHHAIUSA-N 289.383 1.646 0 50 CDAA C[C@H](C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1)c1cccnc1 328630245 PQTBIKRPPDYBPD-JSGCOSHPSA-N 299.378 1.424 0 50 CDAA CO[C@@H]1CCN(C(=O)[C@@H](C)OCC(F)(F)F)[C@@H](C)C1 252527706 DENGRJUKZDGAKN-IVZWLZJFSA-N 283.290 1.980 0 50 CDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 62682 GFVUIPNILAJZEC-HNNXBMFYSA-N 299.326 1.906 0 50 CDAA biogenic Cc1csc(CN2CCCN(C(=O)C3CC3)CC2)n1 121563932 QFNXVKZROWAHLN-UHFFFAOYSA-N 279.409 1.896 0 50 CDAA CN[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccncc2)C1 150992790 AVDUARDJTFIVCW-TZMCWYRMSA-N 261.369 1.786 0 50 CDAA C[C@H](CN1CCN(C(=O)c2ncn[nH]2)CC1)c1ccccc1 214964764 FTMWOXHKXADDGH-CYBMUJFWSA-N 299.378 1.366 0 50 CDAA Cn1nccc1[C@@H]1CCCN(CCOC[C@H]2CCCO2)C1 257365604 XGJAVXYGOXDYAZ-HUUCEWRRSA-N 293.411 1.795 0 50 CDAA NC(=O)CCN1CCC[C@@H](Nc2ccc(F)cc2)C1 72163023 JBKYCQRUHWQNRM-CYBMUJFWSA-N 265.332 1.577 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)N1C[C@H](C)N[C@H](C)C1 153821738 PCHVVQCTHYHRHQ-KXUCPTDWSA-N 265.357 1.604 0 50 CDAA Cc1ccc(C)c(O[C@H](C)C(=O)NCCN(C)C)c1 72117342 DFULERRZJVFIBU-CYBMUJFWSA-N 264.369 1.749 0 50 CDAA O=C(NCC[C@@H]1C[C@H]2CC[C@H]1O2)[C@@H](O)C1CCC1 333725774 IYGFOYDSWZFSTL-LPWJVIDDSA-N 253.342 1.221 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)c1c(F)cccc1OC 219994688 MQEWLLQUOBUETC-VIFPVBQESA-N 292.314 1.937 0 50 CDAA C[C@H]1CN(C(C)(C)CNCc2ncc[nH]2)C[C@@H](C)O1 237661256 BUVFLGPYMAINPY-TXEJJXNPSA-N 266.389 1.387 0 50 CDAA CC(C)(C)c1cc(C(=O)N2C[C@H](O)C3(CC3)C2)[nH]n1 368749469 FHCGRMFUVYTXGY-NSHDSACASA-N 263.341 1.304 0 50 CDAA CC1(C)CC[C@H](CN2CCC(c3nc[nH]n3)CC2)O1 370194895 RFTNHNSLEYFSJB-GFCCVEGCSA-N 264.373 1.942 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)NC[C@@H]1CCNC[C@H]1O 72125340 JAPGCOAPIMVWCV-WDEREUQCSA-N 297.424 1.275 0 50 CDAA C[C@H]1C[C@H](NC(=O)N2Cc3ccccc3CO2)CO1 335350175 QXKMTHCCXZXHAX-GWCFXTLKSA-N 262.309 1.821 0 50 CDAA COc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1 337275669 DTZVMWXFJZTIEN-UHFFFAOYSA-N 299.739 1.939 0 50 CDAA CCCN(CC(N)=O)[C@@H](C)CC(=O)Nc1ccccc1 241923323 UEZUUSDLBFYWFH-LBPRGKRZSA-N 277.368 1.601 0 50 CDAA C[C@@H](CNC(=O)OC(C)(C)C)N(C)CCn1cncn1 242292584 YNLNNMQHZBOXHK-NSHDSACASA-N 283.376 1.123 0 50 CDAA Nc1nc2c(c(N3CC[C@@H](N)C3)n1)CCCc1ccccc1-2 40977166 SDTRYHWIXVHTLM-GFCCVEGCSA-N 295.390 1.752 0 50 CDAA in-vivo Cc1nc(CNC(=O)NCCOC2CCCC2)no1 176428522 XQYIWCNXMLKEOQ-UHFFFAOYSA-N 268.317 1.136 0 50 CDAA C[C@@H](NC(=O)c1cnccn1)c1nncn1C1CCCC1 223708921 WWEGIHQEXUAMGP-SNVBAGLBSA-N 286.339 1.674 0 50 CDAA Cc1nc(CCCNC(=O)[C@@H]2CCCO2)sc1C 223064457 COTPPKBKPXEHKW-NSHDSACASA-N 268.382 1.988 0 50 CDAA O=C(NCc1cc[nH]n1)N1CCO[C@@H](c2ccsc2)C1 176822178 NIWCMBBVVCNMOT-GFCCVEGCSA-N 292.364 1.754 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC1CCCCCCC1 225644286 OSULCULODZEJKV-MQYQWHSLSA-N 293.363 1.870 0 50 CDAA N[C@@H]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@H]1O 426477788 VSSPWXURLAYCEL-ZIAGYGMSSA-N 289.404 1.704 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccc(O)nn1 530075945 LXJIOJVZKWQDES-YUSALJHKSA-N 277.324 1.271 0 50 CDAA O=C(NC[C@@H]1C[C@H](F)CN1)c1cn2cc(Cl)ccc2n1 82161120 XNHUWMBGLGSMOW-UWVGGRQHSA-N 296.733 1.418 0 50 CDAA CN(C)[C@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1O 222806584 COAXLRBZLFGBFV-GJZGRUSLSA-N 294.370 1.282 0 50 CDAA CCCCCCNC(=O)N1C[C@@H]2CC[C@H]1CNC2 426574770 CYWWMWADQQCIGI-OLZOCXBDSA-N 253.390 1.960 0 50 CDAA N=c1[nH]cc(-c2nonc2-c2c[nH]c(=N)s2)s1 334160481 FRAOSXPSIZQDOE-UHFFFAOYSA-N 266.311 1.142 0 50 CDAA CCN(C)C[C@@H](C)c1nc2c([nH]1)CCCNC2=O 95529477 SUYJWSIJKOTNEF-SECBINFHSA-N 250.346 1.141 0 50 CDAA CC[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccnn1C 426677819 CRKWHVZQSBQQGV-GFCCVEGCSA-N 287.319 1.999 0 50 CDAA CSc1ncccc1C(=O)N1CCc2[nH]cnc2C1 95366491 IPVLIPYREMSZPM-UHFFFAOYSA-N 274.349 1.725 0 50 CDAA Cc1nc(N2CCC[C@@H](c3ccnn3CC(=O)O)C2)no1 426640330 CJYCGGRFNRIZSE-SNVBAGLBSA-N 291.311 1.043 0 50 CDAA COCc1cc(CN(C)C(=O)[C@@H]2CCOC(C)(C)C2)n[nH]1 97532783 BCTLVUNWHQNKEA-LLVKDONJSA-N 295.383 1.720 0 50 CDAA Cc1ccc(F)cc1CN1CCCN(C(N)=O)CC1 180023538 PTVDQYKAWPEDFK-UHFFFAOYSA-N 265.332 1.721 0 50 CDAA CC[C@H](C(=O)N(C)Cc1cc(COC)[nH]n1)n1cccn1 91664972 UVHRIZCJARKVNE-CYBMUJFWSA-N 291.355 1.362 0 50 CDAA CCc1nccn1CCCNc1cc(COC)ncn1 91625596 POYUBPTXIVMEQZ-UHFFFAOYSA-N 275.356 1.884 0 50 CDAA CC(C)N1C(=O)[C@H]2[C@H]3C(=O)C[C@@H](c4ccccc43)[C@H]2C1=O 239308779 GYVUAOKTONWAGV-MYPMTAMASA-N 283.327 1.850 0 50 CDAA COCCC[C@]1(CO)CCCN(C(=O)CC(F)(F)F)C1 91997148 VRPRTMQXNIDMAH-GFCCVEGCSA-N 297.317 1.967 0 50 CDAA CC(C)Cc1cc(C(=O)N(C)c2cnn(C)c2)cc(O)n1 180456946 AYKHOYDGKNKSJQ-UHFFFAOYSA-N 288.351 1.996 0 50 CDAA CC(C)Cn1cncc1Cn1cc([C@H]2CCOC2)nn1 91452656 XXEHLYJQXAMCKB-LBPRGKRZSA-N 275.356 1.683 0 50 CDAA Cc1cnccc1CN(C)Cc1cnn(CCC(=O)O)c1 97797443 FFHKPUXACOXJEI-UHFFFAOYSA-N 288.351 1.693 0 50 CDAA Cc1c(NC(=O)N2CCCC[C@H]2CN)cccc1C(N)=O 97301256 UVOKWIPPWDCXBW-NSHDSACASA-N 290.367 1.439 0 50 CDAA CC[C@H](C(=O)N1CCN(C)C[C@H]1C)c1c(C)noc1C 335889406 AZPYMOVGMUPCKE-MFKMUULPSA-N 279.384 1.948 0 50 CDAA Cc1cc2cc(C(=O)NCCN3CCNC3=O)ccc2o1 91849121 GATCGXHYRRVFFA-UHFFFAOYSA-N 287.319 1.496 0 50 CDAA Cc1ccc(CNC(=O)c2ccnc(-n3cnnc3)c2)o1 97475450 WGDLLMBMESNGDU-UHFFFAOYSA-N 283.291 1.494 0 50 CDAA CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 243152658 JOJNJQNCUZTIRH-ZDEQEGDKSA-N 285.409 1.458 0 50 CDAA CN(C)S(=O)(=O)CCN1CCC[C@H](c2ccncc2)C1 296025962 RQOPGCZWABMWTE-AWEZNQCLSA-N 297.424 1.152 0 50 CDAA Cc1nccc(N2CCN(Cc3cn(C)nc3C)CC2)n1 184765763 PFDGIYLEIYJBPE-UHFFFAOYSA-N 286.383 1.149 0 50 CDAA C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239030642 CDRATGVLFXMROI-KALVJPODSA-N 281.352 1.654 0 50 CDAA COC(=O)[C@H]1CCc2nnc([C@]3(C)CCCO3)n2C1 601044921 SHLMHKIHJZJKBE-ZANVPECISA-N 265.313 1.039 0 50 CDAA CCCN(C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2N)C1 299738852 HIFOSNHLGVMIIQ-MELADBBJSA-N 267.417 1.304 0 50 CDAA COC(=O)[C@H](CSCc1c(C)noc1C)NC(C)=O 252481907 CVBRCYJFEJHHNE-NSHDSACASA-N 286.353 1.202 0 50 CDAA CNc1ncccc1C(=O)N[C@H](c1nccn1C)C(C)C 534580415 SFRUYZJRWSIEHM-LBPRGKRZSA-N 287.367 1.984 0 50 CDAA C[C@@H]1COCC[C@H]1NCc1cccc(-n2cncn2)c1 281020317 XNPWEXXQUFAHCZ-IUODEOHRSA-N 272.352 1.782 0 50 CDAA CNC(=O)c1ccc(CNC(=O)C2(COC)CCC2)o1 299800259 WHIFILQYLDATSA-UHFFFAOYSA-N 280.324 1.072 0 50 CDAA Cc1csc2nc(CNC(=O)[C@@H]3CCCCO3)cn12 299782355 SOFGXSHWQPXPTD-NSHDSACASA-N 279.365 1.890 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)NCC(F)(F)F 299774744 FYRBNESXXJFLGI-UHFFFAOYSA-N 264.251 1.975 0 50 CDAA COCCN1C[C@H](Cc2cccc(F)c2)CC1=O 299767558 LUVKTZIWNZNLNK-GFCCVEGCSA-N 251.301 1.863 0 50 CDAA COC(=O)[C@@H]1CCN1c1cc(C(=O)O)c2ncccc2c1 725345417 PGFNJWCEKNTQSF-LBPRGKRZSA-N 286.287 1.685 0 50 CDAA Cc1ccc2oc(NCCc3noc(CO)n3)nc2c1 828840510 YGUWJYMZOGPRHY-UHFFFAOYSA-N 274.280 1.666 0 50 CDAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc[nH]1 828188945 OCJOTMQATZGCQV-LLVKDONJSA-N 287.319 1.642 0 50 CDAA CCCn1cnnc1CNC(=O)c1csc(NC)n1 823031374 YLNLPWVQSWKQEM-UHFFFAOYSA-N 280.357 1.116 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)CCCn2cncn2)c1 670472873 RLQZDJJGLZMARF-UHFFFAOYSA-N 287.367 1.729 0 50 CDAA Cc1nc2cc(CNC(=O)c3cncn3C)ccc2n1C 584895295 NGJZLCNEEHIOGW-UHFFFAOYSA-N 283.335 1.545 0 50 CDAA Cc1cc(C)n(-c2cccc(CN(C)S(C)(=O)=O)c2)n1 670468328 KDYBURCHXPYBRU-UHFFFAOYSA-N 293.392 1.881 0 50 CDAA O=C(NCCCOc1ccc(F)cc1)[C@H]1C[C@H]1C(=O)O 268877432 BZAKLPIIMYIUSC-NWDGAFQWSA-N 281.283 1.432 0 50 CDAA Cc1ncnc(N2CCN(Cc3nccs3)CC2)c1C 670454169 DKJNKTDBJYVRQS-UHFFFAOYSA-N 289.408 1.872 0 50 CDAA C/C(=C\C(=O)N1CCOC[C@H]1C(=O)O)c1ccc(F)cc1 268989327 RGQPDEPALFAUGB-FROQITRMSA-N 293.294 1.541 0 50 CDAA COC(C)(C)CCNC(=O)c1ccccc1-n1cncn1 670447867 VJESFFVZWXCIHI-UHFFFAOYSA-N 288.351 1.812 0 50 CDAA Cc1nc(NC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)oc1C 929817805 MLTLUYDJHNXGLG-XXFSISAASA-N 263.297 1.589 0 50 CDAA Cc1noc(C)c1C(=O)N1CC[C@H]([C@@H](F)C(=O)O)C1 1548600451 WNNNYINDKXBPJY-WCBMZHEXSA-N 270.260 1.176 0 50 CDAA COC(=O)[C@@H](CC(C)C)NC(=O)CNCc1ccccc1 71782577 MUUIBHPGLLKBLJ-CQSZACIVSA-N 292.379 1.480 0 50 CDAA CCc1cnc2ccccc2c1C(=O)NC1COC1 1875278732 ZNVRSVMUXGFZOH-UHFFFAOYSA-N 256.305 1.926 0 50 CDAA C[C@]1(C(=O)NC2COC2)Cc2cc(Cl)ccc2C(=O)O1 1875295582 KFGHTSHIDSTRMR-CQSZACIVSA-N 295.722 1.327 0 50 CDAA CCC(CC)(CNC(=O)[C@H]1CCc2ncnn2C1)OC 1875276389 WXCAEAQGLHUZJY-NSHDSACASA-N 280.372 1.162 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CC(c2cc[nH]n2)C1 1875332718 GJZIDEAUCGAXHA-UHFFFAOYSA-N 285.307 1.022 0 50 CDAA Cc1sc2nc(-c3c[nH]c(=O)cn3)nc(O)c2c1C 1875340277 UDCAXSDACWCHBE-UHFFFAOYSA-N 274.305 1.764 0 50 CDAA CO[C@H]1CN(C)[C@](C)(C(=O)NCc2cc(C)ccn2)C1 1875335293 AAMPILCIJHLFLM-HIFRSBDPSA-N 277.368 1.115 0 50 CDAA CC(C)(C)c1noc2ncc(C(=O)NS(C)(=O)=O)cc12 1875390481 LFKHJBQQUKADBN-UHFFFAOYSA-N 297.336 1.210 0 50 CDAA C=Cn1nccc1C(=O)Nc1n[nH]c2cc(O)ccc12 1875344983 QWRQKMBERWRFPD-UHFFFAOYSA-N 269.264 1.818 0 50 CDAA C[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1cnccn1 1300160232 CMSOUUAYAZWVOS-LLVKDONJSA-N 294.318 1.548 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cnn(C)c2C)n1 886072078 NRLKYYHHIMNORT-MFKMUULPSA-N 291.355 1.382 0 50 CDAA COCc1nc(CN(C)[C@@H](C)c2nccs2)no1 244678795 IKNFOZIMTJUVOI-QMMMGPOBSA-N 268.342 1.866 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](CC(=O)O)C1 1772715990 GUXPWNGXUZZMNZ-BDAKNGLRSA-N 259.302 1.533 0 50 CDAA Cc1cccn2c(NC(=O)[C@H]3C[C@@H]4C[C@H](N)[C@@H]4C3)cnc12 1775960907 ZJSGMRWLIOBNAY-XQHKEYJVSA-N 284.363 1.955 0 50 CDAA C[C@H]1CN(C(=O)CCN2CCCCC2=O)C[C@]1(O)C1CC1 1565513973 NCRPMYASHALJGB-BLLLJJGKSA-N 294.395 1.008 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)Cc1ccc(SC)cc1 1565508424 YVBCADVVCSXNQB-KBPBESRZSA-N 295.404 1.871 0 50 CDAA CCC(C)(C)CNc1n[nH]c([C@H]2CCS(=O)(=O)C2)n1 1776005256 CBMVPDAHMSSZEB-VIFPVBQESA-N 286.401 1.555 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@H]2CSC[C@H]2C1 899381525 QYRPOTWALVMVDK-AOOOYVTPSA-N 291.376 1.495 0 50 CDAA C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccccc1F 277370016 CFJDNORFTIZLBW-JTQLQIEISA-N 285.340 1.475 0 50 CDAA CCN1CC(=O)N(C[C@@H](c2ccccc2)N(C)C)C1=O 170592395 IDOWCKFTBRATIE-ZDUSSCGKSA-N 275.352 1.573 0 50 CDAA CN(C)c1ncc(CNC2CCC(C)(O)CC2)n1C 703546434 DQWYSTXHEYOFLC-UHFFFAOYSA-N 266.389 1.269 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)N(C)c2ccccc21 188864844 DMPVKRAIWOUPCW-NWDGAFQWSA-N 288.347 1.811 0 50 CDAA O=S(=O)(NC/C=C/c1cccnc1)N1CCCCC1 585114998 IMAJYCWAFCTFGP-FNORWQNLSA-N 281.381 1.415 0 50 CDAA CN1CCCC[C@H](C(=O)N2CC[C@H](O)CC(C)(C)C2)C1=O 585131734 FDFPNAXTIUCVNN-STQMWFEESA-N 296.411 1.254 0 50 CDAA CNC(=O)CN1CCC(N[C@H]2CC(C)(C)C[C@@H]2C)CC1 192390566 HSMCYSGKMPADFU-JSGCOSHPSA-N 281.444 1.611 0 50 CDAA CNC(=O)Cn1cc(NCc2ccc(C)c(OC)c2)cn1 194284734 PHODXVPHPSQEGW-UHFFFAOYSA-N 288.351 1.558 0 50 CDAA Cc1ncccc1CN1CCC(C)(C)S(=O)(=O)CC1 195204928 YULYBMPQDYXTIS-UHFFFAOYSA-N 282.409 1.789 0 50 CDAA OCCCc1cn(CCCN2CCCCC2)nn1 695654316 XJJXQACXAJGDHD-UHFFFAOYSA-N 252.362 1.079 0 50 CDAA CC(C)Sc1nnc(NC(=O)[C@@H]2CCCNC2)s1 1506421443 PQZCATVBZPCDMT-MRVPVSSYSA-N 286.426 1.977 0 50 CDAA Cn1c(C(=O)O)cnc1-c1cccc(CC(=O)O)c1 1875241004 KQVCQSSNOQSTRI-UHFFFAOYSA-N 260.249 1.412 0 50 CDAA [O-][n+]1cc(Br)ccc1Br 330780 PULUIMDLAQFXTQ-UHFFFAOYSA-N 252.893 1.845 0 50 CDAA in-vitro Cn1nc(C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1O 408524189 QZAYGMVYIIJIPD-JTQLQIEISA-N 267.329 1.013 0 50 CDAA O=C(O)[C@H]1CN(Cc2ncc[nH]2)C[C@@H]1c1ccccc1 222415176 JUAIWVGMBYPIFS-OLZOCXBDSA-N 271.320 1.710 0 50 CDAA CN(C)c1nc(NCc2n[nH]c3c2CCC3)ncc1F 1704308060 FMUFMUCRKMRWDR-UHFFFAOYSA-N 276.319 1.506 0 50 CDAA Cc1ccc(F)cc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704313050 LBZQFLUOTYSVJN-OCCSQVGLSA-N 278.327 1.081 0 50 CDAA O[C@@H]1C[C@@H]2CN(c3ncc4c(n3)CCCC4)C[C@@H]2C1 1857707451 SYKQDZASTWSUIW-CLLJXQQHSA-N 259.353 1.563 0 50 CDAA Cc1nc(NC(=O)C2CCOCC2)nn1C(C)C 1857712181 SKKZVZWGCBPPHD-UHFFFAOYSA-N 252.318 1.533 0 50 CDAA CCOC(=O)c1nc2c(Cl)nc(Cl)nc2[nH]1 309145049 ALDFCVOYZYHPND-UHFFFAOYSA-N 261.068 1.836 0 50 CDAA Cc1csc(CN2[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]2C)n1 521396519 OFCFQEUFFAIKOY-OUAUKWLOSA-N 267.398 1.891 0 50 CDAA CCC[C@@H]1CN(C(=O)NCc2cnc(C)o2)CCO1 333802366 DNSNOMYEIPUDSV-LLVKDONJSA-N 267.329 1.694 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cccc(C(F)(F)F)n1 1875273038 YXQCAYDQCZZHBA-ZZXKWVIFSA-N 288.225 1.559 0 50 CDAA Cc1cc(C)c(NC(=O)c2cccc(=O)n2C)cc1O 680820958 PKPBHFSIIIBGKI-UHFFFAOYSA-N 272.304 1.960 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)O)cc1Cl 261708465 PIXRCGRDOFKELQ-MRVPVSSYSA-N 291.756 1.742 0 50 CDAA CCc1nc(O)c(C(=O)NC2CC3(C2)C[C@H]3N)cc1C 1615546953 QJAZRQLOLORXLH-YAKODHLKSA-N 275.352 1.268 0 50 CDAA CN(C)Cc1nnc(NCCOc2ccccc2)o1 1772707880 YAJBTMLGKGAMSH-UHFFFAOYSA-N 262.313 1.622 0 50 CDAA CCN(Cc1cnn(CC)c1)c1nccnc1OC 1772704530 UKWDWVOXPCQSNS-UHFFFAOYSA-N 261.329 1.728 0 50 CDAA CC[C@@]12C[C@@H]1CN(C(=O)CCn1ccccc1=O)C2 1772814312 SIQUHQPWMHWFRI-DOMZBBRYSA-N 260.337 1.497 0 50 CDAA Cc1[nH]c2nc(-c3ccccc3)nn2c(=O)c1CCC(=O)O 19702814 GPCIHVOAMPEJBY-UHFFFAOYSA-N 298.302 1.410 0 50 CDAA Cc1ccccc1-c1noc(CN2C[C@@H]3CC(=O)N[C@@H]3C2)n1 1857688194 WXTVGJMFRIUFIX-WCQYABFASA-N 298.346 1.365 0 50 CDAA c1nc(N2CCCC2)cc(N2CCC(n3cncn3)CC2)n1 302814576 ABEYLSMNGQECSN-UHFFFAOYSA-N 299.382 1.510 0 50 CDAA C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)Cc1ccc(F)cc1F 221825498 BOWHPUSGPKGXNF-TVYUQYBPSA-N 299.317 1.409 0 50 CDAA Cc1cccc(C)c1NC(=O)C(=O)NC[C@H]1CCCO1 2942919 LTZHNZGDEOMOIH-GFCCVEGCSA-N 276.336 1.537 0 50 CDAA N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)CO2 128134921 WRBAZESBBFHUJX-GHMZBOCLSA-N 289.335 1.017 0 50 CDAA COC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 12506667 NCALQERIBRYGOK-NWDGAFQWSA-N 295.335 1.786 0 50 CDAA in-vitro CC1(C)COc2c(C(=O)N3CC[C@@](F)(CO)C3)cccc21 338760153 OBTBHMGMFGIKFP-INIZCTEOSA-N 293.338 1.903 0 50 CDAA COc1cc(=NC(=O)NC[C@H]2CCCC2(F)F)[nH]n1C 560423441 JUQOUMJAOHMBMA-MRVPVSSYSA-N 288.298 1.408 0 50 CDAA OC[C@@H]1CN(Cc2ccc(-c3ccccn3)nc2)CC[C@H]1O 563023760 NGYHJTPXOZROTE-WMLDXEAASA-N 299.374 1.319 0 50 CDAA COc1ccccc1[C@@H]1CCN(C(=O)c2c[nH]nn2)C1 150802967 LFHBYYFZNQKTCW-SNVBAGLBSA-N 272.308 1.443 0 50 CDAA O=C(c1ccc(F)cc1)N1CCC2(CC1)OCCO2 2888908 XZBVTQSFVMJOPF-UHFFFAOYSA-N 265.284 1.805 0 50 CDAA O=C(NCc1coc2ccccc12)N1CCOC[C@H]1CO 918761011 BVDDYAUJQMPVKJ-GFCCVEGCSA-N 290.319 1.336 0 50 CDAA Cc1cnc(C)c(NC[C@@H](O)c2ccc(O)cc2)n1 1875279410 BRKJUCKXLIQIGR-CYBMUJFWSA-N 259.309 1.945 0 50 CDAA C[C@@]1(C(=O)NCCn2ccnn2)CCOc2ccccc21 935323072 LRKHEFMWLYYXIK-OAHLLOKOSA-N 286.335 1.135 0 50 CDAA C[C@H](C[S@@](C)=O)N(C)C[C@@H](O)c1ccccc1F 221862889 CRWXAEDRKJWIEW-AJAPIDPKSA-N 273.373 1.558 0 50 CDAA C[C@@H]1CCCN(C(=O)COc2ccccc2)[C@@H]1C(=O)O 235309028 RCHYSPZMRNVKEQ-RISCZKNCSA-N 277.320 1.777 0 50 CDAA COCCN1CCN(CC2Cc3ccccc3C2)CC1 22891994 GDMXETBBNKFUMR-UHFFFAOYSA-N 274.408 1.665 0 50 CDAA CCOP(=O)(CCN(C)CC(=O)OC)OCC 35337278 WYFHDYXZTIUTFW-UHFFFAOYSA-N 267.262 1.357 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(Cl)cc2F)C1 284758500 GORDFGAHFZMXAT-VHSXEESVSA-N 287.718 1.701 0 50 CDAA Nc1ncccc1CN1CCC(N2CCCC2=O)CC1 71762432 GSIHDSHSBZDXBY-UHFFFAOYSA-N 274.368 1.251 0 50 CDAA c1ncn(CCN2CCN(Cc3ccsc3)CC2)n1 77438489 RBWGGGUBZJEPIW-UHFFFAOYSA-N 277.397 1.157 0 50 CDAA CCN1C[C@H](N[C@H]2C[C@H](N)c3ccccc32)CC1=O 333526551 IDAKOMFEEHRMBA-SWHYSGLUSA-N 259.353 1.342 0 50 CDAA CCOC(=O)CCCN1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3OC 367137394 IAKFTHCGTQMINR-CWFCOSEVSA-N 267.369 1.685 0 50 CDAA O=C(O)C12CCC(C(=O)Nc3cnc(C4CC4)nc3)(C1)C2 2325808703 YSVDQYMNOUEUJR-UHFFFAOYSA-N 287.319 1.938 0 50 CDAA CCOC(=O)c1c[nH]c2cc(C(=O)OC)ccc2c1=O 121049 JIUGYNKXKSEZAE-UHFFFAOYSA-N 275.260 1.491 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCSC1=O 182417 DBGQJWYUVHXJQX-GXSJLCMTSA-N 265.334 1.602 0 50 CDAA O=C(O)CCCCCCNC(=O)c1cncc(O)c1 2090771 LVCBUOAQGBKVRR-UHFFFAOYSA-N 266.297 1.552 0 50 CDAA biogenic COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1 2862310 YZLGHDBYIOVXAL-UHFFFAOYSA-N 291.351 1.829 0 50 CDAA aggregator O=C(O)/C(Br)=C(/Br)C(=O)O 3861165 PMNMPRXRQYSFRP-UPHRSURJSA-N 273.864 1.157 0 50 CDAA CCc1nc(CN2CCC[C@@]23CCCN(C)C3=O)no1 2356155576 IQLDYKFANXNGHK-CQSZACIVSA-N 278.356 1.219 0 50 CDAA CC(C)n1cnnc1CN1CCC[C@@]12CCCNC2=O 2356165706 GUQCWDMUMSLPOU-CQSZACIVSA-N 277.372 1.104 0 50 CDAA CC(=O)c1cc2c(cc1NC(=O)/C=C/C(=O)O)OCO2 4904771 NLSOIJUDQXVYTK-NSCUHMNNSA-N 277.232 1.197 0 50 CDAA CCOc1ccc(NC(=O)CSc2ncn[nH]2)cc1 6538653 YPPNRHUDHGTUCZ-UHFFFAOYSA-N 278.337 1.934 0 50 CDAA COc1cccc(NC(=O)CSc2nnc(C)n2C)c1 7234967 FLNKSJJLEFXXDS-UHFFFAOYSA-N 292.364 1.863 0 50 CDAA COC(=O)C1=C(C(=O)OC)[C@H]2C[C@H]1c1ccccc12 101002548 QPAKFSOAOYMDHF-QWRGUYRKSA-N 258.273 1.914 0 50 CDAA O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 101193889 YOQALDVKHNGWCA-CWFCOSEVSA-N 299.326 1.496 0 50 CDAA CC(C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10323954 MXDOOPMAUYJXCB-SNVBAGLBSA-N 296.392 1.535 0 50 CDAA Cn1ncc(NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)c(Cl)c1=O 225422276 ADECWQWTWUHMQL-YIKMNZTOSA-N 265.744 1.890 0 50 CDAA Cc1ncc(S(=O)(=O)NCc2ccco2)s1 225522256 JKZXKDOMBSZMCT-UHFFFAOYSA-N 258.324 1.523 0 50 CDAA CO[C@H](C)CCOC(=O)Cc1ccc([S@@](C)=O)cc1 225528333 HVUUXRAKEZLWOU-NSPYISDASA-N 284.377 1.935 0 50 CDAA COCCOc1cccc(C(=O)NCC2(N(C)C)CC2)c1 416304780 VPXFKTMRLLWKTM-UHFFFAOYSA-N 292.379 1.536 0 50 CDAA O=C(CCC(=O)NC1CCCC1)NC[C@H]1CCCC[C@H]1O 55325110 LPNUYNTURLPREX-TZMCWYRMSA-N 296.411 1.493 0 50 CDAA CC(C)O[C@@H](C)C(=O)NCC1=CSC2=NCCN12 102818166 UZAQITJSHBKARN-VIFPVBQESA-N 269.370 1.176 0 50 CDAA O=C(NC1CCSCC1)c1ccc(C(=O)O)nc1 134319752 LTRVIHICTKLRMJ-UHFFFAOYSA-N 266.322 1.405 0 50 CDAA CONC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 134885051 IBBFHHCYJPZAKO-JTQLQIEISA-N 284.356 1.701 0 50 CDAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(C[C@H](C)O)CC2)C1(C)C 248200612 VKHQEPYAGDBIKO-ZNMIVQPWSA-N 294.439 1.750 0 50 CDAA Cn1c(CNC(=O)[C@@H]2CCCCO2)nc2ccccc21 178460273 WXYFHDOPCOFBKL-ZDUSSCGKSA-N 273.336 1.759 0 50 CDAA CC(C)n1cnnc1CN(C)Cc1ccc(CO)o1 65369756 OWYHMJKMQICEPB-UHFFFAOYSA-N 264.329 1.576 0 50 CDAA OCc1nc2ccccc2n1-c1ccc(-c2nnn[nH]2)cc1 67790032 ZUZSBZRZFITVGI-UHFFFAOYSA-N 292.302 1.698 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](N2CCC[C@@H](C(=O)O)C2)C1 22014102 JYXSUUXDUDDEIX-NEPJUHHUSA-N 298.383 1.792 0 50 CDAA Cc1nn(C)c2c1N(S(=O)(=O)CC1CCCC1)CCO2 329214059 KNKMXAZBAUHAQN-UHFFFAOYSA-N 299.396 1.447 0 50 CDAA Cc1nc2ccccn2c1CN1CCOC[C@H]1CC(=O)O 215587347 RARZEUYPCZHAHS-GFCCVEGCSA-N 289.335 1.318 0 50 CDAA CCn1cc(C(=O)Nc2ccccc2C(=O)O)cn1 215254 FZSDGTKQCILBDY-UHFFFAOYSA-N 259.265 1.854 0 50 CDAA COCCN1CN(c2nc3ccccc3o2)CC1=O 253398014 JTCUWBRKUWKAFB-UHFFFAOYSA-N 261.281 1.080 0 50 CDAA COc1ccc2c(c1)N(C(=O)c1cnnn1C)C[C@@H](C)O2 282684405 RFLRXTJPXAKTJY-SECBINFHSA-N 288.307 1.251 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)Cc1cccc(F)c1 124794542 KUPIMUMTGLKBIB-GXFFZTMASA-N 250.317 1.706 0 50 CDAA CC(C)(C)SCC(=O)NC[C@H](O)CN1CCCCC1 521396396 UOBMYDZHVDXGFU-LBPRGKRZSA-N 288.457 1.481 0 50 CDAA O=C(N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)C1CC1 368503357 QCRHKVZTDJUHOW-SNVBAGLBSA-N 295.705 1.608 0 50 CDAA COc1cccc2c1OC[C@H](NC(=O)C1CCOCC1)C2 77310962 KFUINSWCNJIKDS-CYBMUJFWSA-N 291.347 1.542 0 50 CDAA C[C@@H](O)c1cn(C2CN(C(=O)CC3=CCCCC3)C2)nn1 369249851 JQKNRXCNHIZGRW-LLVKDONJSA-N 290.367 1.605 0 50 CDAA CCOc1ncccc1C(=O)N1CCn2cncc2C1 72144335 FGNGIJGUHDXXIT-UHFFFAOYSA-N 272.308 1.333 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)N[C@H]2CCC[C@@H](N)C2)C1 332335638 OPZYOQWJOZKVIY-FRRDWIJNSA-N 283.416 1.449 0 50 CDAA COc1ccc(CN2CCSCC2)cc1C(=O)O 216509400 AUFNCIYIKUOQHS-UHFFFAOYSA-N 267.350 1.942 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1CC(=O)O 262849487 CZLRKBAZVJLLMZ-QJPTWQEYSA-N 285.340 1.036 0 50 CDAA O=C(O)c1cc(N2CCCC2=O)cc(N2CCCC2=O)c1 30834276 UKRROGZLIIZBNZ-UHFFFAOYSA-N 288.303 1.638 0 50 CDAA COc1coc(CN2CCCc3n[nH]cc32)cc1=O 333362681 HOKANOXDEXQQRW-UHFFFAOYSA-N 261.281 1.324 0 50 CDAA COc1cc(C)ccc1OCCC(=O)N1CCN[C@H](C)C1 237108392 TXFYJGNVIYDYMM-CYBMUJFWSA-N 292.379 1.593 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cccc(=O)[nH]1 215184151 PWZIWXDTIRJKDG-UHFFFAOYSA-N 274.324 1.030 0 50 CDAA CCN(C)c1ccc(CN2CCC(C(=O)NC)CC2)cn1 240886223 INWXSERNEBLVSF-UHFFFAOYSA-N 290.411 1.496 0 50 CDAA O=C(Cc1ccc(Cl)cc1F)N1CCOCC1 72117335 KHYVXFPUPYUVAZ-UHFFFAOYSA-N 257.692 1.880 0 50 CDAA O=C(N[C@H]1C[C@H](c2ccccc2F)C1)[C@]1(O)CCOC1 334109405 ALSQXFPDUHPNBW-PGUXBMHVSA-N 279.311 1.339 0 50 CDAA Cn1ncc(NC(=O)Cn2ccc3cccc(F)c32)n1 48308284 GPTKWERTZHYJFJ-UHFFFAOYSA-N 273.271 1.548 0 50 CDAA COc1cccc(C2=CCN(c3nccn(C)c3=O)C2)c1 241862557 SRAUSFANEMFMJC-UHFFFAOYSA-N 283.331 1.693 0 50 CDAA COc1cccc(OCCC(=O)N2C[C@H](F)C[C@H]2CO)c1 451209851 DNDYWFONIVAYEZ-NEPJUHHUSA-N 297.326 1.395 0 50 CDAA COc1cnc(N2CCC([C@H](C)N(C)C)CC2)nc1 77356337 SHDDPCCXVYAZTH-NSHDSACASA-N 264.373 1.652 0 50 CDAA C[C@H](NC(=O)C1(c2cccc(F)c2)CC1)c1nc[nH]n1 176207926 SGBBZIFLOYFMGL-VIFPVBQESA-N 274.299 1.853 0 50 CDAA CNC(=O)c1cccnc1N(C)Cc1nccs1 80613343 VNEIBYQTDLVTSV-UHFFFAOYSA-N 262.338 1.534 0 50 CDAA Cn1ncc2c(O)nc(/C=C/c3csnn3)nc21 340107661 CYRRYDNYJHNHNR-NSCUHMNNSA-N 260.282 1.091 0 50 CDAA N[C@H]1CCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1 132551835 SCIOIDKNXQHGLX-AWEZNQCLSA-N 297.358 1.834 0 50 CDAA O=C(CN1CC[C@@H](n2cccn2)C1)Nc1nccs1 291376069 AOHCKIDDAQHLNP-SNVBAGLBSA-N 277.353 1.225 0 50 CDAA Cc1c(C(=O)NC(C)C)nnn1Cc1ccccc1 40785406 ASCWJAYYVLWNKX-UHFFFAOYSA-N 258.325 1.773 0 50 CDAA CCOCCC(=O)N[C@@H]1CCCN(Cc2cccnc2)C1 222458835 GQPKWNRXIPVMKO-OAHLLOKOSA-N 291.395 1.589 0 50 CDAA Cc1c(C(=O)N2CCOCC2)nnn1Cc1ccccc1 40785454 UEEFLLVISVRFSX-UHFFFAOYSA-N 286.335 1.107 0 50 CDAA CCCO[C@H]1CCCN(C(=O)Nc2nc(C)n(C)n2)C1 48156016 ATNNHSRDKSGZQB-NSHDSACASA-N 281.360 1.546 0 50 CDAA CCSC[C@H](C)N1CCCN(C)C2(CCNCC2)C1 426383117 JZIYASHCHALCTD-AWEZNQCLSA-N 285.501 1.888 0 50 CDAA CC(=O)NC1CCN(c2cc([C@H]3CCOC3)ncn2)CC1 426726745 JKKYUPZWIWUJFT-LBPRGKRZSA-N 290.367 1.085 0 50 CDAA Cc1nc2ccc(C(=O)N3CCCC[C@H]3C(=O)O)cc2[nH]1 426510588 FHRKUEAHZBYKAV-ZDUSSCGKSA-N 287.319 1.951 0 50 CDAA O=C(N=c1[nH][nH]c2cc(F)ccc12)[C@@H]1CC12CCOCC2 530405350 CMOOHHAYOMSZGG-NSHDSACASA-N 289.310 1.879 0 50 CDAA COCc1cc(NC[C@@H](CO)Cc2ccsc2)ncn1 95378567 JBFDNYULADMQJA-LBPRGKRZSA-N 293.392 1.948 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)CC[C@@H](C)N1CCCC1 426383840 MYCAQMVCISCUFN-LLVKDONJSA-N 278.400 1.907 0 50 CDAA CC[C@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(C)cc2=O)C1 92061714 MGNRVSZVXOSSKZ-HNNXBMFYSA-N 292.335 1.400 0 50 CDAA O=C(O)[C@@H]1CN(C2CCOCC2)C[C@H]1c1cccnc1 91665395 QRGCSECPERKESK-UONOGXRCSA-N 276.336 1.361 0 50 CDAA O=C(N[C@@H]1CCc2ccccc21)c1ccn2nnnc2c1 97370352 BFXOUNGSXCEBRE-CYBMUJFWSA-N 279.303 1.542 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H](C)n1cccn1 426722385 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0 50 CDAA CCOC1(C)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875294729 VFTUOUNHECCIAQ-VHSXEESVSA-N 293.367 1.683 0 50 CDAA Cc1ccccc1OC[C@H](O)C(=O)N(C)CC1(C)COC1 952860821 SVKDQODMEBYPFM-ZDUSSCGKSA-N 293.363 1.230 0 50 CDAA c1ccc(-n2cc(CCNC[C@H]3[C@@H]4CNC[C@H]34)cn2)cc1 952976687 UDBJEKCTLCERCP-OSYLJGHBSA-N 282.391 1.470 0 50 CDAA O=C(NC1(c2ncccn2)CCOCC1)c1cccs1 886935136 YZANBIRKGZMSTF-UHFFFAOYSA-N 289.360 1.974 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1CC1=CCCCC1 888078686 LVLPCFHEKZBZOK-CQSZACIVSA-N 252.358 1.453 0 50 CDAA Cc1nc(NCc2n[nH]c(C)c2C)c2cnn(C)c2n1 1515968528 HLTXGGHFGNTCNX-UHFFFAOYSA-N 271.328 1.624 0 50 CDAA CC(C)(C)OC(=O)N1CCOC[C@H](n2cc(N)cn2)C1 1772718178 WQKYMFWHPZPTHG-LLVKDONJSA-N 282.344 1.274 0 50 CDAA CCC[C@@]1(CO)CCN(C(=O)c2cnc(C3CC3)[nH]2)C1 1468585911 JACSHPNWMJJVKY-OAHLLOKOSA-N 277.368 1.912 0 50 CDAA C[C@H](CC(=O)N1CC[C@H](S(C)(=O)=O)C1)C(C)(C)C 407962444 CUNHNLSSBZBABM-MNOVXSKESA-N 275.414 1.704 0 50 CDAA Cc1nc([C@H]2CCCCN2Cc2cccc(C(N)=O)c2)n[nH]1 408473337 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CDAA Cc1cc(C(=O)NCCCC[C@@H]2CCCO2)cc(=O)[nH]1 19939691 FJRBLKOMBNKQJG-CYBMUJFWSA-N 278.352 1.762 0 50 CDAA N[C@H]1CCC[C@@H]1CC(=O)N1CCC[C@H]1c1ccc(O)nn1 1857532046 DIVFPAFVBULTFZ-MDZLAQPJSA-N 290.367 1.363 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3ccc4cccc(F)c4n3)C[C@H]2N1 1857677544 HJXVJNUYRJBMAE-GXFFZTMASA-N 299.305 1.334 0 50 CDAA COCCO[C@@H](C)c1nnc2n1CC[C@@H](C(=O)OC)CC2 601043986 LLGPUVHMOPEDQE-QWRGUYRKSA-N 297.355 1.128 0 50 CDAA O=C(NC1CCCC1)c1ccc(-n2cnnn2)cc1 1326080 DORXWQDETFVULF-UHFFFAOYSA-N 257.297 1.335 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ncc(F)cc1F 429086112 DXHJJNMXCDTIBD-QWRGUYRKSA-N 286.278 1.284 0 50 CDAA Cn1cnn(CCC(=O)N2CCC[C@H](C(C)(C)C)C2)c1=O 329032120 BHAUCSFXQCEXCY-LBPRGKRZSA-N 294.399 1.257 0 50 CDAA O=C(O)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 238187652 JRLNSIJKWKVNLN-RKDXNWHRSA-N 253.685 1.644 0 50 CDAA Cc1noc(C)c1C(=O)N[C@H](Cc1ccncc1)C(=O)O 655603067 QOSKWEDLDHKODU-LLVKDONJSA-N 289.291 1.112 0 50 CDAA CCCNS(=O)(=O)N[C@@H](c1nccc(C)n1)C1CC1 253432596 LNXKBHWQBOLXPJ-LLVKDONJSA-N 284.385 1.070 0 50 CDAA Cc1nccc(N2CCC(NC(=O)C3CC3)CC2)n1 266196206 CKFVXZKETKNHLQ-UHFFFAOYSA-N 260.341 1.280 0 50 CDAA Nc1cncc(N2CCN(c3cccc(O)c3)CC2)n1 1857678771 ALAZAYWVRWKFDM-UHFFFAOYSA-N 271.324 1.091 0 50 CDAA CCCn1cc(C(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)nn1 910392280 RIYARKJPZKCHKI-SMDDNHRTSA-N 292.339 1.158 0 50 CDAA Cn1c(=O)c2ccccc2n1Cc1nnn(C(C)(C)C)n1 931251637 VEDPTDCLOACUND-UHFFFAOYSA-N 286.339 1.130 0 50 CDAA O=C(NCCc1nc(=O)o[nH]1)c1ccccc1C1CCC1 935706554 VRAZSEGYAFEWMO-UHFFFAOYSA-N 287.319 1.603 0 50 CDAA COCCc1ccnc(NC(=O)c2cnn(C)c2Cl)c1 857503849 OIASUQUCSKOPPK-UHFFFAOYSA-N 294.742 1.910 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](CC(=O)O)OCC12CC2 1857779314 DEYJMXSCWQSUPH-SECBINFHSA-N 271.313 1.630 0 50 CDAA C[C@H](NC(=O)CN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 106672133 BLXKGUAYMPWNIV-XUXIUFHCSA-N 266.385 1.260 0 50 CDAA O=C(CCc1ccccc1Cl)N[C@@H]1CCOC[C@H]1O 218866476 SDKIFCKUQCQZPP-CHWSQXEVSA-N 283.755 1.539 0 50 CDAA Cn1cccc1C(=O)N1CCC(NCC2CC2)CC1 122262822 RHRLBBKEZPMWKK-UHFFFAOYSA-N 261.369 1.629 0 50 CDAA C[C@H](N)[C@H]1CN(C(=O)c2ccc(F)cc2Cl)CCO1 122886406 CCYDMVGBYIUFGG-QPUJVOFHSA-N 286.734 1.667 0 50 CDAA Cn1nccc1CN1CCc2c(cccc2C(=O)O)C1 124613560 ZBGLBEDULSMYSZ-UHFFFAOYSA-N 271.320 1.677 0 50 CDAA CC[C@@H]1CN(C(=O)c2csc(CN)n2)C[C@@H](C)O1 236956834 DYUJBYJOKPYPDT-RKDXNWHRSA-N 269.370 1.241 0 50 CDAA C[C@@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@@H](C)N1 153386333 ZBAOXTDLPNGNDS-RKDXNWHRSA-N 265.382 1.843 0 50 CDAA CN1CCC(NC(=O)c2cccn3ccnc23)CC1 169931350 KGXWTMWRLUKKIC-UHFFFAOYSA-N 258.325 1.158 0 50 CDAA CCc1nsc(NC[C@@H]2CCc3nccn3C2)n1 275563435 NZUBRAQMECKMJD-VIFPVBQESA-N 263.370 1.972 0 50 CDAA CCNc1nc(C)cc(N2CC[C@H](C)[C@H](CO)C2)n1 700453938 BAZWCVRSWRPNHS-JQWIXIFHSA-N 264.373 1.672 0 50 CDAA c1csc([C@H]2CCCCN2CCN2CCNCC2)n1 420314196 JSOYFKFLBCOWCE-CYBMUJFWSA-N 280.441 1.575 0 50 CDAA Cc1nc(CSc2nnc(CN)n2C)c(C)s1 426691189 MLGHVRPVSOCUFN-UHFFFAOYSA-N 269.399 1.639 0 50 CDAA COCC1(C(=O)N2CCC(C3(O)CC3)CC2)CCC1 652659147 OOATWEAQKQJRSX-UHFFFAOYSA-N 267.369 1.567 0 50 CDAA N=c1[nH]cc(C(=O)N2CCC[C@@H](CCCO)C2)s1 584899457 MIZFBCBGXDOMBH-VIFPVBQESA-N 269.370 1.180 0 50 CDAA O=C(N[C@@]1(CCCO)CSC[C@H]1O)c1ccccc1 2930770 KVDDTGXKMGBKNW-OCCSQVGLSA-N 281.377 1.035 0 50 CDAA Cc1ccc(C(=O)C[C@H](SCC(=O)O)C(=O)O)cc1 28477063 BZOJIMAYHOQLAJ-NSHDSACASA-N 282.317 1.839 0 50 CDAA Cc1cc(F)c(NS(=O)(=O)N(C)C)cc1C(=O)O 2325772285 PXGUFVPGGHBLPL-UHFFFAOYSA-N 276.289 1.051 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)c2cn3cc(CN)ccc3n2)C1 911917200 NQGCCWPRFBPDJJ-TXEJJXNPSA-N 286.379 1.911 0 50 CDAA CCN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=S 264253 VUFCMELDZVQPGC-GFCCVEGCSA-N 273.361 1.816 0 50 CDAA biogenic Cc1n[nH]c(C)c1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 565295 DDPDRENRYUGXMZ-HNNXBMFYSA-N 285.303 1.439 0 50 CDAA CS(=O)(=O)N(CC(=O)O)Cc1ccc(Cl)cc1 614846 BNXXCFZTMPORAM-UHFFFAOYSA-N 277.729 1.186 0 50 CDAA COc1ccc(F)cc1S(=O)(=O)NC[C@H]1CCCO1 802693 FVCUJBXZNXIJGM-SNVBAGLBSA-N 289.328 1.292 0 50 CDAA O=C1OCC[C@H]1Sc1nnnn1-c1ccc(Cl)cc1 1057787 IEQHELXLNVQJTD-SECBINFHSA-N 296.739 1.723 0 50 CDAA COCCNS(=O)(=O)c1ccc(C)c(C)c1C 1803056 LCIBPQGDOUVQFJ-UHFFFAOYSA-N 257.355 1.537 0 50 CDAA O=C(O)CC[C@H](NC(=S)Nc1ccccc1)C(=O)O 2290466 BKDFTHVYEAKALU-VIFPVBQESA-N 282.321 1.291 0 50 CDAA O=C1NC[C@H]2CN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]12 2356139029 KLPPZKKUZAEWHC-VHSXEESVSA-N 294.738 1.247 0 50 CDAA CC[C@]1(O)CCC[C@H]2CN(c3ncncc3F)C[C@H]21 2356142747 FRPZFIFGZGVRHV-WDMOLILDSA-N 265.332 1.993 0 50 CDAA NCCc1ccc(-c2nccc(N3CCC(O)CC3)n2)cc1 2356150927 HZADVVTVHRVIKG-UHFFFAOYSA-N 298.390 1.606 0 50 CDAA Cc1nonc1CC(=O)Nc1n[nH]c(Cc2ccccc2)n1 2356167383 NUFTYUCJFRBWKH-UHFFFAOYSA-N 298.306 1.268 0 50 CDAA CC(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1 6715167 MHHPXRGHBRABOZ-UHFFFAOYSA-N 261.325 1.587 0 50 CDAA COc1c(C)cc(CN2C[C@@H](OC)C[C@H]2CO)cc1C 343981790 MKOFJHBYSYCKBJ-GJZGRUSLSA-N 279.380 1.894 0 50 CDAA CC1(C)[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]21 100162637 KRWNMSSUYLJMJW-NXEZZACHSA-N 259.261 1.530 0 50 CDAA COC(=O)c1cc(Br)c2[nH]c(=O)[nH]c2c1 117019767 YWKSHESIUHOPDK-UHFFFAOYSA-N 271.070 1.405 0 50 CDAA NS(=O)(=O)c1cccnc1Nc1cc(F)cc(F)c1 65183167 VSRWSMGGTNDVMV-UHFFFAOYSA-N 285.275 1.751 0 50 CDAA C[C@@H](O)C(=O)N1CCc2onc(-c3ccccc3F)c2C1 67842890 PCERBSOPRAKCPP-SECBINFHSA-N 290.294 1.746 0 50 CDAA O=C(Cc1noc2ccccc12)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 333966801 RJOYHEVILUWKFK-AYRXBEOTSA-N 296.326 1.782 0 50 CDAA CC(C)NC(=O)[C@@H]1C(=O)[C@@H](C)N(Cc2ccccc2)C1=O 122136507 DTTLABNRFSCHQI-YPMHNXCESA-N 288.347 1.127 0 50 CDAA C=CC(=O)N(Cc1ccccc1)[C@H]1C=CS(=O)(=O)C1 328596972 BYFPTKQYVCXFTM-ZDUSSCGKSA-N 277.345 1.512 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1nccs1 252671520 NKBGLXUSKXHDDP-AXTSPUMRSA-N 295.364 1.852 0 50 CDAA N=c1ccc2c(N[C@@H]3CCC(O)=N[C@@H]3C3CC3)ncnc2[nH]1 329223080 XKIPEGFCSWQEPT-ZWNOBZJWSA-N 298.350 1.747 0 50 CDAA C[C@@H]1C(=O)CC[C@H]1CC(=O)N=c1cc(C(F)(F)F)[nH][nH]1 330107741 MOLWMEOKIJWEAC-BQBZGAKWSA-N 289.257 1.794 0 50 CDAA Nc1nccc2c1nnc1c(-c3ccccc3)cnn12 71289134 UHHSTMMQXIFEKD-UHFFFAOYSA-N 262.276 1.922 0 50 CDAA CCCn1c(NC(=O)[C@@H]2COCCN2)nc2ccccc21 150695652 GQYBCHRQFSNNMT-LBPRGKRZSA-N 288.351 1.373 0 50 CDAA OC[C@]1(c2ccccc2)CCN(c2cncc3nncn23)C1 365704082 MRWSBSLCWTXNFB-INIZCTEOSA-N 295.346 1.265 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1C[C@@H](N)[C@H](c2ccccc2)C1 261743536 MUBHZVWEYAZQJY-BBWFWOEESA-N 295.386 1.640 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCC(c2nc[nH]n2)CC1 370243673 LZFNHKNJWTVJMO-ZDUSSCGKSA-N 286.335 1.244 0 50 CDAA CC(C)[C@](C)(O)CNC(=O)c1ccc(C(=O)O)cc1F 262393867 NCMDCWAIAVWEML-CQSZACIVSA-N 283.299 1.661 0 50 CDAA Cc1cc(O)c(COC(=O)[C@@H]2C[C@H]2c2ccco2)nn1 860667065 ASJILPJJYRNXJG-NXEZZACHSA-N 274.276 1.931 0 50 CDAA C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NCC1CCC1 239882258 DASODIWMXPICSN-MBNYWOFBSA-N 268.401 1.384 0 50 CDAA CCOc1ccc(CCNC[C@]2(O)CCCNC2)cc1 72474898 UIXKSFWGERSJRP-INIZCTEOSA-N 278.396 1.332 0 50 CDAA O[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cccnc1 284642834 MRMJAFARPLSXIY-SOUVJXGZSA-N 262.353 1.443 0 50 CDAA O=C(O)[C@@H]1CSC2(CCN(Cc3ccccc3)CC2)N1 49602473 MTKKMDPMKIEJJX-ZDUSSCGKSA-N 292.404 1.768 0 50 CDAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCCO1 286274457 SCWAZWPKAWOQEX-VXGBXAGGSA-N 279.340 1.535 0 50 CDAA CC[C@H]1CN(C(=O)Cc2cccnc2)CCN1C(C)C 82120934 VIOKTBQYOHKPPW-HNNXBMFYSA-N 275.396 1.955 0 50 CDAA CC[C@H](COC)NC(=O)Nc1cccc(-n2cnnc2)c1 426684339 AUMPNFMYIRFXRM-LLVKDONJSA-N 289.339 1.814 0 50 CDAA O=c1c2c3c(sc2ncn1C[C@H]1CCCO1)CNCC3 82107019 HSFJISIYORYDNL-SECBINFHSA-N 291.376 1.283 0 50 CDAA Cc1nonc1CSc1nnc(C2CCNCC2)n1C 426428361 YCYBMOGDIWWGGQ-UHFFFAOYSA-N 294.384 1.266 0 50 CDAA CSCc1noc(CNC(=O)c2ccoc2)n1 220334662 VLHUSDPJWYNVDY-UHFFFAOYSA-N 253.283 1.456 0 50 CDAA CO[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3CN2)CC[C@H]1C 230243585 PCBLDZHLBYGNHO-DAXOMENPSA-N 288.391 1.584 0 50 CDAA CCN(Cc1noc(C)n1)C(=O)[C@H](C)n1ccnc1 426595095 VFNPJYTYNPYRHU-VIFPVBQESA-N 263.301 1.184 0 50 CDAA Cc1nn(C)c2nc(NC[C@@H](O)CN3CCCC3)sc12 96130677 BILKRSRYWIMZHI-SNVBAGLBSA-N 295.412 1.207 0 50 CDAA CCc1oc(C(=O)N2CC[C@@H](CNC)C2)cc1C 178985833 GLXOMBIUTAZHST-NSHDSACASA-N 250.342 1.832 0 50 CDAA CCc1ccc(C(=O)NC2(C(=O)O)CCCC2)[nH]1 426526299 UJOHVUSLWOQLLV-UHFFFAOYSA-N 250.298 1.704 0 50 CDAA CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)[C@H]1CCNC1 179095594 WHYYFXQITIXYID-CYZMBNFOSA-N 280.318 1.889 0 50 CDAA CN(Cc1cnc[nH]1)C(=O)[C@@H](O)Cc1ccccc1Cl 616927319 FKAGPKYWRWOUKN-ZDUSSCGKSA-N 293.754 1.625 0 50 CDAA CC(C)n1cc(CNCC2(C(=N)O)CCOCC2)cn1 330523101 OYBUHLYMXGMECR-UHFFFAOYSA-N 280.372 1.886 0 50 CDAA Cc1nn(C)c2nc(NCCCn3ccnn3)sc12 95506313 RBKWRVOJTDGQFN-UHFFFAOYSA-N 277.357 1.432 0 50 CDAA CCCc1nnc(N2CCC(CO)(CN(C)C)CC2)o1 95386585 BJCMGDNGHDUIQR-UHFFFAOYSA-N 282.388 1.163 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 268928504 XEJKWRLRLAQQHL-LOWVWBTDSA-N 293.294 1.446 0 50 CDAA CC1=NO[C@@H](C(=O)NCc2nc(C)c3c(n2)CCCC3)C1 244899671 ZNQUONKIZASSAT-CYBMUJFWSA-N 288.351 1.445 0 50 CDAA NC(=O)CCN(Cc1ccccc1)C[C@H]1CCCOC1 244787722 QCLNHQZZDREZPL-OAHLLOKOSA-N 276.380 1.791 0 50 CDAA Cc1csc(C2(NC(=O)[C@@H]3C[C@@H]3C(=O)O)CCC2)n1 268927452 WRITVEDFWRPFET-BDAKNGLRSA-N 280.349 1.668 0 50 CDAA CCCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2N)C1 299738850 HIFOSNHLGVMIIQ-BFHYXJOUSA-N 267.417 1.304 0 50 CDAA CC1(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)COC1 534645397 IHTWONXPVNACEP-LBPRGKRZSA-N 266.385 1.404 0 50 CDAA CC(C)(C)c1csc(CNC(=O)c2cc(=N)[nH][nH]2)n1 534673920 ZIUDBEALQCWBKU-UHFFFAOYSA-N 279.369 1.506 0 50 CDAA Cc1cc(C)n(CCCC(=O)NC(C)(C)CN(C)C)n1 534590948 ATXRMXBFZGBJEY-UHFFFAOYSA-N 280.416 1.737 0 50 CDAA CN(C)CCC1CCN(C(=O)C[C@@H]2CCOC2)CC1 351974375 HJEHLTZKUKIIKX-AWEZNQCLSA-N 268.401 1.603 0 50 CDAA CO[C@H](C)c1cccc(-c2ncn(CC(=O)O)n2)c1 534646013 FAEKANTWXPRTIY-SECBINFHSA-N 261.281 1.737 0 50 CDAA CC(C)CS(=O)(=O)NCC1(Cn2ccnc2)CC1 534587798 UHVKXBYHLNNYEV-UHFFFAOYSA-N 271.386 1.239 0 50 CDAA C[C@@H]1CC(=O)CC[C@@H]1C(=O)NS(=O)(=O)c1ccccc1 184493720 KRDIBGBUXUZYMX-MFKMUULPSA-N 295.360 1.497 0 50 CDAA CC(F)(F)C(C)(C)NC(=O)c1nc2ncccn2n1 622893281 TVROFAVOJGTZNU-UHFFFAOYSA-N 269.255 1.288 0 50 CDAA Cc1nc(C(=O)NC[C@@H]2CCC3(CCNCC3)O2)cs1 299799356 RAKHPSWREJZJKR-NSHDSACASA-N 295.408 1.483 0 50 CDAA Cc1nc(-c2cccc(NC(=O)CCn3cnnc3)c2)n[nH]1 828069834 PBLKXDDGDVODIJ-UHFFFAOYSA-N 297.322 1.400 0 50 CDAA CCc1csc(CCN[C@@H](C)CN2CCOCC2)n1 584896520 NXUYYOZVYSIHEN-LBPRGKRZSA-N 283.441 1.558 0 50 CDAA Cc1cc(C[C@H](C)n2cnc3ncccc3c2=O)n[nH]1 584895025 UQDBACPDEQEVCP-JTQLQIEISA-N 269.308 1.627 0 50 CDAA Cc1nn(C)cc1CN(C)C(=O)COC[C@H]1CCCCO1 584894322 BEFXGKCDHUBCHR-CQSZACIVSA-N 295.383 1.273 0 50 CDAA Cc1nc2c([nH]1)CN(Cc1noc([C@@H]3CCCO3)n1)CC2 670450040 BJNBOBVIGSQASY-LBPRGKRZSA-N 289.339 1.511 0 50 CDAA Cc1cc(O)nc(CCN[C@H]2CCN(c3ccccc3)C2)n1 670439306 RAZACIMDTXJAAC-AWEZNQCLSA-N 298.390 1.902 0 50 CDAA CCCN1CCC[C@@H](Nc2cncc(C(=O)N(C)C)n2)C1 670456496 SEGZHSBMTAMNOA-GFCCVEGCSA-N 291.399 1.465 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2 670441451 ZIXWNLBNHZGLKC-GRYCIOLGSA-N 257.337 1.815 0 50 CDAA O=C1CN(CC[C@H]2CCOC2)CCN1C1CCCCC1 670454101 HQWGZSSWWZYMDW-AWEZNQCLSA-N 280.412 1.890 0 50 CDAA Cn1cnc2c(N3CCC[C@H](CCC(=O)O)C3)ncnc21 871867082 ALZFEHUOADPEIU-SNVBAGLBSA-N 289.339 1.445 0 50 CDAA Cc1ccnc(NC(=O)CN2Cc3ccccc3OC2=O)n1 1455004928 QBGJEJAQGDOEGK-UHFFFAOYSA-N 298.302 1.738 0 50 CDAA C[C@@H]1CCC[C@@H](Cn2nnnc2N2CCC(CO)CC2)C1 952876195 FJECFNFNMVMXOC-TZMCWYRMSA-N 293.415 1.708 0 50 CDAA COc1cccc(S(=O)(=O)Nc2cc3n(n2)CCC3)c1 1875280848 BQRRPEDXQXZVBU-UHFFFAOYSA-N 293.348 1.639 0 50 CDAA O=C(NO[C@H]1CCOC1)[C@H](c1ccccc1)n1cccn1 1875259422 MADRFIFFHUYRAL-KBPBESRZSA-N 287.319 1.309 0 50 CDAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1nc(O)n[nH]1 1875295993 DYVSJLPHJOQOQN-BDAKNGLRSA-N 292.364 1.642 0 50 CDAA CC(C)(C)c1nnc(C(=O)N2Cc3ccncc3C2)o1 1875282779 RXXFHKOQDLKNCT-UHFFFAOYSA-N 272.308 1.918 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cn1 1875370511 RNUNQMHIRGJPST-JTQLQIEISA-N 295.770 1.899 0 50 CDAA C=CC(=O)NCCC(=O)N1Cc2cc(F)ccc2C[C@@H]1C 1875365807 PTTMHSSVISRGIJ-NSHDSACASA-N 290.338 1.791 0 50 CDAA CC(=O)Nc1ccc(C)cc1NC(=O)CCC(=O)N(C)C 952983984 SJFROQNTUYQDLB-UHFFFAOYSA-N 291.351 1.760 0 50 CDAA Cc1cc(C(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)nn1C 952977920 JTNNKRGUKWSYKQ-VIFPVBQESA-N 299.334 1.910 0 50 CDAA Cc1nc([C@H](N)C2(O)CC(CF)(CF)C2)cn1C 958527536 BZWOJBTZFIGKTM-JTQLQIEISA-N 259.300 1.179 0 50 CDAA C[C@@H]1C(=O)CCCN1C(=O)c1ccc(N2CCCC2)nc1 885041833 YVIIWPCOYYBBDD-GFCCVEGCSA-N 287.363 1.875 0 50 CDAA O=C1CCC[C@H](C(=O)NCc2ccccc2-c2ncc[nH]2)N1 888094507 XGMAEAJYGZFONA-CYBMUJFWSA-N 298.346 1.362 0 50 CDAA Nc1nnc(Br)cc1Br 45672824 ZTXKTTUTGHERSF-UHFFFAOYSA-N 252.897 1.584 0 50 CDAA in-vitro Cc1nc([C@@H]2CC[C@H](CNC(=O)c3cc[nH]c3C)O2)n[nH]1 1775957552 AMWFIVAXFLOTRG-PWSUYJOCSA-N 289.339 1.400 0 50 CDAA O=C(NCc1ccc2nc[nH]c2c1)C1CC2(C1)C[C@H]2C(=O)O 1776006084 MBUNUBYCYKPQAM-CSJGVYOVSA-N 299.330 1.680 0 50 CDAA CC[C@@H](C(=O)O)N1CCC[C@@H](n2cc(C)cn2)C1 248973140 PVQNBBWBNCIKSU-NEPJUHHUSA-N 251.330 1.692 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)CCOc1ccccc1 1565506555 LHPUFHDKVKOWNA-KBPBESRZSA-N 279.336 1.376 0 50 CDAA O=C(c1ccc(-n2cccc2)nc1)N1C[C@H]2CC[C@@H](O)[C@H]2C1 899391473 NDPZTVISLJIOHV-QLFBSQMISA-N 297.358 1.715 0 50 CDAA Cc1nsc(N2CC[C@@H](Oc3cccnc3)C2)n1 301648335 FFQRBRUIGJEGMV-LLVKDONJSA-N 262.338 1.899 0 50 CDAA O=C(O)[C@H]1CC12CCN(C(=O)c1ccc3n[nH]cc3c1)CC2 405475534 HGSVLQCLOLRYNQ-GFCCVEGCSA-N 299.330 1.890 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccccn1 275869779 KDIRNRKIFYOQBS-JQWIXIFHSA-N 287.323 1.467 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CCO[C@H]1C 408473951 VEGCAHHGZDOAJZ-CYDGBPFRSA-N 293.367 1.274 0 50 CDAA CCCN1CCCC[C@@H]1C(=O)N(C)CCC(=O)O 408513506 CFDYZXWVUOXPAS-LLVKDONJSA-N 256.346 1.184 0 50 CDAA CCC[C@H](C)CN1CC[C@@H](S(=O)(=O)NCC)C1 221755530 ZJXKONBRHZRZMI-NWDGAFQWSA-N 262.419 1.436 0 50 CDAA CCO[C@H]1C[C@H](NC(=O)c2ccnnc2)C12CCOCC2 186462956 JGFYNUDXBFRLQK-STQMWFEESA-N 291.351 1.181 0 50 CDAA COC[C@H](O)Cn1ccnc1C(=O)c1ccccc1 170594922 BALDQUDACCNNFC-GFCCVEGCSA-N 260.293 1.121 0 50 CDAA CC[C@@H](CO)NC(=O)NCCc1cn2cccc(C)c2n1 170602192 UDTVTUMUYATSNG-LBPRGKRZSA-N 290.367 1.255 0 50 CDAA c1cc(-c2noc(CN3CCCN(C4CC4)CC3)n2)co1 170934113 AIZFPBRHYHZPPF-UHFFFAOYSA-N 288.351 2.000 0 50 CDAA C[S@@](=O)C1(CNCc2ccc3c(c2)OCCO3)CCC1 280618622 KSVOZIQQPCZBDT-HXUWFJFHSA-N 295.404 1.849 0 50 CDAA CCO[C@@H]1C[C@](CO)(NC(=O)C2CC=CC2)C1(C)C 188868450 HUEBLAJPGNPFQC-IUODEOHRSA-N 267.369 1.635 0 50 CDAA C[C@@H]1C[C@H](NC(=O)C[C@@H]2NCc3ccccc32)[C@@H](C)O1 638944328 QQBMATGHXQIGBF-FIXIBIHLSA-N 274.364 1.903 0 50 CDAA Cc1nncn1-c1cccc(NC(=O)[C@@H]2CCC(=O)C2)c1 578510632 WJCWVANNERGMAI-LLVKDONJSA-N 284.319 1.883 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)CC(C)(C)C 643848127 XGUPYKUATOOMOQ-ZDUSSCGKSA-N 257.330 1.515 0 50 CDAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCCOC2CCC2)C1 643959852 IQMZRWMICAKAOS-YUELXQCFSA-N 268.401 1.133 0 50 CDAA C=CC(=O)N1CCN(C(=O)CCOc2ccccc2)CC1 585091395 PKQSHDJAFDAXFB-UHFFFAOYSA-N 288.347 1.312 0 50 CDAA CSC[C@H](C)C(=O)NCCS(=O)(=O)C(F)(F)F 585131438 VYIRYCGXAAFESO-LURJTMIESA-N 293.332 1.036 0 50 CDAA CC(C)n1cnc(C(=O)N2CC3(CCOCC3)C2)c1 647616631 YQKSVPYUKFTDGZ-UHFFFAOYSA-N 263.341 1.717 0 50 CDAA COc1cc(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)sn1 585130532 SXLMUTJFAWNAGQ-LLVKDONJSA-N 297.424 1.954 0 50 CDAA CCn1cc(S(=O)(=O)Nc2ccoc2C(=O)OC)cn1 585119115 RWEHVQAWCATJIL-UHFFFAOYSA-N 299.308 1.083 0 50 CDAA CCOc1ccc(C(=O)N2CCn3ccnc32)cc1 585122421 COLRFXCRHIRDRZ-UHFFFAOYSA-N 257.293 1.942 0 50 CDAA CO[C@H](C)CS(=O)(=O)Nc1cc(F)cc(F)c1 193113801 HWCMMUDXMSQAGX-SSDOTTSWSA-N 265.281 1.741 0 50 CDAA CC(C)C(CNC(=O)N1CCN(C)C(=O)C1)C(C)C 194359302 RHJYHKZFIBKRAN-UHFFFAOYSA-N 269.389 1.398 0 50 CDAA CC(C)c1cc(C(=O)N(C)CCCC(=O)O)n(C)n1 195541494 AWWCUJQCOPPWRG-UHFFFAOYSA-N 267.329 1.480 0 50 CDAA Cc1ccc(F)cc1C(=O)N1CCO[C@@]2(CCNC2)C1 717425133 HEWSEHALWHDRHG-OAHLLOKOSA-N 278.327 1.339 0 50 CDAA COc1cc(OC)nc(N[C@H]2CN(C(C)C)C[C@@H]2OC)n1 1506402112 MNGZLSORAKJLIV-QWRGUYRKSA-N 296.371 1.013 0 50 CDAA CC1=C(C(=O)N2CC(c3ccncc3)C2)OCCO1 1506398967 IPKQOGAOQJYHII-UHFFFAOYSA-N 260.293 1.286 0 50 CDAA O[C@H]1CN(Cc2ccncc2)C[C@H]1Cc1ccncc1 1529144271 VSZXDSJWKIIKJO-CVEARBPZSA-N 269.348 1.512 0 50 CDAA Cc1cnn([C@@H]2CCN(c3ncc(Cl)c(O)n3)C2)c1 1857531570 VKWVPZKIWIYRGR-SECBINFHSA-N 279.731 1.792 0 50 CDAA C[C@@]1(O)CCOC2(CCN(c3nccs3)CC2)[C@H]1O 1704340896 XFHWTJOCJIXEIJ-CMPLNLGQSA-N 284.381 1.014 0 50 CDAA Oc1ccc(CCN2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1 1704299153 NFQBHMQQHYYUFY-AEFFLSMTSA-N 298.386 1.865 0 50 CDAA Cc1nn(CC(=O)N2CC[C@H](C(=O)O)C2)c(C)c1Cl 237864453 BBMLBROYLKRJFV-VIFPVBQESA-N 285.731 1.086 0 50 CDAA CCC[C@](C)(O)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 246179819 GPDFWGFYIWFKNI-UBHSHLNASA-N 287.425 1.708 0 50 CDAA COc1ccc(/C=C2/SC(=O)NC2=O)cc1O 1259879 MHRJJGJJVMGLRQ-WEVVVXLNSA-N 251.263 1.725 0 50 CDAA CON(C)C(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 16697238 USINQMZZDNKSQW-VIFPVBQESA-N 288.344 1.378 0 50 CDAA in-vitro CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2)C1(C)C 161557012 WEEHSGKQHDRZLP-QJPTWQEYSA-N 254.374 1.400 0 50 CDAA Cc1ccc(Cn2nnnc2N2CCCOCC2)cc1 1616033894 TUNXJMTVPMIRAE-UHFFFAOYSA-N 273.340 1.257 0 50 CDAA COc1ccc(NC(=O)C2(N)Cc3ccccc3C2)cn1 1616022340 UHQRPYFIUDTZMD-UHFFFAOYSA-N 283.331 1.525 0 50 CDAA CCOc1ccnc(N[C@H]2CC=CC[C@@H]2C(N)=O)n1 1616123501 YQNNZFLPVOHPIF-UWVGGRQHSA-N 262.313 1.107 0 50 CDAA c1ccc(OC2CN(CC[C@H]3COCCO3)C2)cc1 1775979319 ZSIVSJPGCNEVNE-AWEZNQCLSA-N 263.337 1.555 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1cncc(F)c1 1772811542 YOCMDHLAGCOSCC-UHFFFAOYSA-N 271.255 1.422 0 50 CDAA CCCCO[C@@H]1CS(=O)(=O)C[C@@H]1OCCCC 16789869 YZMAHZNNBVQSKT-TXEJJXNPSA-N 264.387 1.785 0 50 CDAA C[C@@H](Cc1ccc(F)cc1)NN1CCN(C)CC1 19169822 PTGVHUTXVYDRTI-LBPRGKRZSA-N 251.349 1.509 0 50 CDAA NCCS[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O 19765725 CMOPJIJUGAPTQO-SNVBAGLBSA-N 268.313 1.150 0 50 CDAA COCC1(C)CN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)C1 1857532705 KQOASKFXVHLMGP-ZJUUUORDSA-N 293.367 1.540 0 50 CDAA Cc1nccnc1N1CCc2[nH]nc(C3CC3)c2CC1 1857724308 UKZKDCSKTCFHCZ-UHFFFAOYSA-N 269.352 1.991 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1OC 42064 UBXHREDWUMEFNS-ZDUSSCGKSA-N 290.319 1.838 0 50 CDAA CC(C)N(C(=O)CN1CC[S@@](=O)C[C@H](C)C1)C(C)C 225469652 ZUVDQIQPDOSGKP-BFUOFWGJSA-N 288.457 1.332 0 50 CDAA CO[C@H]1C[C@H](NC(=O)c2cccc(OCC(=O)O)c2)C1 630303236 NNYJNVTWTMMASH-UMSPYCQHSA-N 279.292 1.057 0 50 CDAA CC1(C)CC(NC(=O)N2CCC[C@@]2(C)CO)CC(C)(C)N1 121952294 VXLZVGIMJLESKC-INIZCTEOSA-N 297.443 1.852 0 50 CDAA CC[C@H](C)c1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 638467697 OHSOMHVBUNAWBT-ZLKJLUDKSA-N 262.353 1.861 0 50 CDAA Cc1noc(C)c1C[C@H](C)C(=O)N[C@@](C)(C(=O)O)C1CC1 237515781 HOYHXGXKRGNHFP-VXJOIVPMSA-N 294.351 1.840 0 50 CDAA O=C(NC1(C(=O)O)CC1)[C@H]1COc2ccc(Cl)cc2C1 237958741 AMPOCTCXIOFTEH-SECBINFHSA-N 295.722 1.625 0 50 CDAA CCn1c(CN2CC(N3CCNC3=O)C2)nc2ccccc21 556787402 YKMLKSIQLHXTKR-UHFFFAOYSA-N 299.378 1.266 0 50 CDAA Cc1ncc(CN2CC[C@@H](CC(N)=O)C2)n1-c1ccccc1 377852745 TVOJYHPGTKXBEL-AWEZNQCLSA-N 298.390 1.878 0 50 CDAA C[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H](C)O1 2743242 HMHFMQRBPQYTAO-GHMZBOCLSA-N 255.339 1.485 0 50 CDAA CC(C)c1ccccc1Cn1ncnc1S(C)(=O)=O 901592792 KXRJIGRRDPEKPA-UHFFFAOYSA-N 279.365 1.853 0 50 CDAA O=C(NCCS(=O)(=O)C1CC1)N1CCC[C@H]1C(F)F 1650346921 RYPUXLCAUIFDHZ-VIFPVBQESA-N 296.339 1.003 0 50 CDAA O=C(CCC1CC1)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910618087 DYNUKACDZOSIMR-AVERBVTBSA-N 281.352 1.705 0 50 CDAA C[C@@H](O)CN(Cc1ccc(Cl)cc1)C[C@@H](C)O 279195 DOJAOHHKXIRUFD-GHMZBOCLSA-N 257.761 1.904 0 50 CDAA S=C(NC1CCCC1)N1CCN(c2ncccn2)CC1 472303 IMMJIGJDVXLHFW-UHFFFAOYSA-N 291.424 1.416 0 50 CDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 230067284 XBYVDBLWVSFAHC-VXGBXAGGSA-N 299.396 1.359 0 50 CDAA CNCc1nnc(NCCc2ccccc2OC)o1 230304221 ONCOMCRAVMEMEV-UHFFFAOYSA-N 262.313 1.452 0 50 CDAA CCC(CC)(CNC(=O)N1CCC[C@@H](O)CC1)C(=O)O 262022926 YIRYQRFPIPQFMX-LLVKDONJSA-N 286.372 1.434 0 50 CDAA Cc1c(F)cccc1C(=O)N[C@]1(C(=O)O)CCOC1 263268011 VQTLOGAMEWDQHK-CYBMUJFWSA-N 267.256 1.108 0 50 CDAA O=C(O)c1ccc(CNC(=O)[C@H]2CC23CCOCC3)s1 643429355 GLBLJUQFDDRHGK-SNVBAGLBSA-N 295.360 1.879 0 50 CDAA CC(=O)N1CC(NC(=O)N[C@H]2CC[C@H](C)CC2)C1 585137571 GQNZUMAUIQAOBJ-HOMQSWHASA-N 253.346 1.095 0 50 CDAA OCCCc1cn(C[C@@H](O)c2ccccc2F)nn1 881407527 PMWYENFJYFZPIH-CYBMUJFWSA-N 265.288 1.076 0 50 CDAA COc1ccc(S(=O)(=O)NCc2cccnc2)cc1F 4999581 XLVGPKKGMGBOBF-UHFFFAOYSA-N 296.323 1.708 0 50 CDAA COc1ccc(Cc2nnc3n2CCOCC3)cc1 2100473391 KTWUUYBIZXRSPP-UHFFFAOYSA-N 259.309 1.450 0 50 CDAA CC(C)=CCCc1nc(CC(N)=O)nn1[C@H]1CCOC1 2100477628 DAGBDIAEXBSYHZ-NSHDSACASA-N 278.356 1.166 0 50 CDAA CCN1CCn2c(nnc2-c2cccc(F)c2)C1=O 2100540095 CTYHAHIUYHRGQA-UHFFFAOYSA-N 260.272 1.560 0 50 CDAA CN=c1[nH]c(N(C)CCNc2ccccn2)ncc1Cl 2325780532 QZPJDTSXKXWHGL-UHFFFAOYSA-N 292.774 1.537 0 50 CDAA Cc1nnc2n1CC[C@@]2(C)C(=O)NOc1ccccc1 2325799348 PNNKJUUCZVWRLH-CQSZACIVSA-N 272.308 1.358 0 50 CDAA CCn1nnc(NC(=O)COc2cccc(C)c2)n1 558467 FJCFMCPZKBXFDP-UHFFFAOYSA-N 261.285 1.019 0 50 CDAA CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC1 1193410 QTYUSVDINJAGQZ-KGLIPLIRSA-N 287.407 1.362 0 50 CDAA CCOC(=O)[C@@](CC)(CCC(=O)O)c1csc(N)n1 2361462 WKUDDFASHAJETJ-LBPRGKRZSA-N 286.353 1.801 0 50 CDAA O=C1CCCN1CCCNC(=S)NCc1ccco1 2858606 JBZFQMOSUQHCKM-UHFFFAOYSA-N 281.381 1.256 0 50 CDAA CO[C@@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O 2863565 JFDGVZJOFWPTCI-JTQLQIEISA-N 280.246 1.776 0 50 CDAA O=c1[nH]c(=O)c2sc3nc4c(cc3c2[nH]1)CCCC4 4451213 VAEHLQBYBSJEAE-UHFFFAOYSA-N 273.317 1.705 0 50 CDAA COc1cc(S(=O)(=O)Nc2nnc[nH]2)ccc1Cl 6008476 GAOCJOMLQPYPGP-UHFFFAOYSA-N 288.716 1.268 0 50 CDAA Cc1csc2c(Sc3n[nH]c(CO)n3)ncnc12 225459780 BLHRFDZSRFAYAS-UHFFFAOYSA-N 279.350 1.761 0 50 CDAA CC(C)CN1CCN(C(=O)c2csc(N)n2)CC1 55187817 BBHMYYHFPZMJPT-UHFFFAOYSA-N 268.386 1.139 0 50 CDAA Cc1cccc2c1[C@H](C)C[C@@H]2NCCN1C(=O)CNC1=O 134101291 CUYKUDLLBVBWTA-YPMHNXCESA-N 287.363 1.685 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H](C)OC 248143585 CVIZYKPQJFKNKM-BFHYXJOUSA-N 268.401 1.887 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1nccs1 104126384 SJJBWGGLFGERET-XBJGVBRDSA-N 272.329 1.701 0 50 CDAA C1=CC[C@H]([C@H]2OC[C@@H](CN3CCOCC3)O2)CC1 20064790 AAPOJYKIJJMKDM-MJBXVCDLSA-N 253.342 1.416 0 50 CDAA CNC(=O)c1ccc(CNc2cc(OC)ncn2)o1 65433589 NDDJHADIZNFQCO-UHFFFAOYSA-N 262.269 1.050 0 50 CDAA O=c1[nH]nc(-c2ccc(O)cc2)n1-c1ccc2c(c1)OCO2 65500324 ZVYOXKLSHGDOHW-UHFFFAOYSA-N 297.270 1.662 0 50 CDAA Cc1ccc(OC[C@H](O)CN2CCO[C@@H](C)C2)cc1 229275533 ANEZQWBWMGUWSQ-UONOGXRCSA-N 265.353 1.455 0 50 CDAA COc1ccccc1OCc1cc(C(=O)NCCF)n[nH]1 67740348 JAUSNPVNBSHGPI-UHFFFAOYSA-N 293.298 1.697 0 50 CDAA CCCOCC(=O)N[C@H](C(=O)NC)c1ccccc1 65552219 PBUIJWUUSGATJM-ZDUSSCGKSA-N 264.325 1.017 0 50 CDAA Cc1nc2c(c(N[C@@H]3CCCOC3)n1)CCNCC2 63882665 CSZBMSVEZOUJQE-LLVKDONJSA-N 262.357 1.064 0 50 CDAA O=C(N1CCN(c2ccc(F)cc2)CC1)n1ccnc1 38257726 XVAZYORVNDBATM-UHFFFAOYSA-N 274.299 1.813 0 50 CDAA O=C(O)C[C@@H]1CCCN(c2nc3ncccc3o2)C1 34924883 RQPQDIQEOABIAE-VIFPVBQESA-N 261.281 1.914 0 50 CDAA Cc1cccc(N2CCC[C@@H]2CN2CCC[C@H]2CO)n1 253370990 ZCNNQUNJOGHLHP-CABCVRRESA-N 275.396 1.816 0 50 CDAA 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COC[C@@H]1[C@H](NC(=O)c2ccc(C)c(O)c2)[C@H]2CCO[C@@H]12 1074609746 GVONYMWCCCSAPT-QHSBEEBCSA-N 291.347 1.480 0 50 CDAA C[C@@H](Cc1cn(CCS(C)(=O)=O)nn1)c1ccccc1 67955472 YRJJWAFOFXCDJZ-LBPRGKRZSA-N 293.392 1.669 0 50 CDAA CCn1c(CN2CCN(CCO)CC2)nc2ccccc21 22910001 JHEFDMRMVXYFJL-UHFFFAOYSA-N 288.395 1.166 0 50 CDAA CCOc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1 347399359 PMICSGCNWJRRCK-RYUDHWBXSA-N 267.300 1.630 0 50 CDAA CCCC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 114415078 BEDWLERBGLDQLC-UHFFFAOYSA-N 290.411 1.592 0 50 CDAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnccn1 249698764 WJHGNWPKROQRQW-UONOGXRCSA-N 274.368 1.566 0 50 CDAA FC(F)(F)[C@@]1(c2nc(-c3cccnc3)no2)CCNC1 111240726 ACRAXFFIQIOMOR-NSHDSACASA-N 284.241 1.925 0 50 CDAA CCc1nnsc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 229380709 NXBQQSKSWFYVSV-GHMZBOCLSA-N 296.440 1.951 0 50 CDAA CCOC(=O)Cc1n[nH]c(CNc2ccc(OC)cc2)n1 26508079 GWPFTBGWZUDZEZ-UHFFFAOYSA-N 290.323 1.531 0 50 CDAA CCNC[C@@H](O)COCCCN1CCC[C@@H](C)C1 23549976 HPIOXBOTTXBOLI-ZIAGYGMSSA-N 258.406 1.095 0 50 CDAA COc1ccnc(N[C@H]2CCCN(c3cccnc3)C2=O)n1 253426785 PIVKWUJFIUPOLQ-LBPRGKRZSA-N 299.334 1.488 0 50 CDAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1 67895807 YDBOTMUEGZMUCB-SNVBAGLBSA-N 289.339 1.008 0 50 CDAA CN(Cc1ccncc1)c1nccc(=N[C@H]2CCCOC2)[nH]1 328637816 OVVLIZNJQYUKRF-AWEZNQCLSA-N 299.378 1.521 0 50 CDAA Cc1nc(CS(C)(=O)=O)n(-c2ccc(F)cc2)n1 65431334 HWUFRJMPYKBHEZ-UHFFFAOYSA-N 269.301 1.259 0 50 CDAA CN1C(=O)[C@](O)(CC(=O)c2cccnc2)c2ccccc21 33542 ZKGBGSTZRPNJQP-INIZCTEOSA-N 282.299 1.519 0 50 CDAA CCOCCN1CCN(C[C@H](O)c2ccccc2)[C@@H](C)C1 252474775 MACWBFHZFSCYFM-RDJZCZTQSA-N 292.423 1.763 0 50 CDAA CO[C@@H]1CCCC[C@@H]1N1CCN(C(=O)c2ccco2)CC1 759071 HRVLJQXAERGABT-UONOGXRCSA-N 292.379 1.995 0 50 CDAA O=C(CCc1cc(Cl)no1)N1CC[C@H]2CNC[C@H]21 77452733 XJQWSEFIYAQBQH-WCBMZHEXSA-N 269.732 1.081 0 50 CDAA CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 126783841 DHDKXPVELWMVFE-UONOGXRCSA-N 282.771 1.848 0 50 CDAA COC[C@@H]1CCCCN(CCN2CCO[C@@H](C)C2)C1 253397256 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157939341 UUAOBJOIHDKGKR-LBPRGKRZSA-N 266.316 1.544 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc3c(F)cccc3[nH]2)C1 285005612 ZESXCWFXCWFTFV-VHSXEESVSA-N 292.310 1.529 0 50 CDAA C[C@@H]1CN([C@H]2CC(=O)N(c3ccccc3)C2=O)C[C@@H](C)O1 137308442 BTWQJIUSPOOTMM-BZPMIXESSA-N 288.347 1.428 0 50 CDAA CSC[C@H](C)C(=O)Nc1nncn1-c1cccnc1 287973539 FULPUWWGQXAMPG-VIFPVBQESA-N 277.353 1.600 0 50 CDAA O=C(N[C@@H]1CCCOC1)c1c(O)cnc2ccccc12 176747327 WNIXHHVSUKCWKU-SNVBAGLBSA-N 272.304 1.849 0 50 CDAA CC(C)c1nc(N(C)C)nc(N(C)C[C@@H](C)C(=O)O)n1 263557141 PBAHFANCSIXLRM-SECBINFHSA-N 281.360 1.218 0 50 CDAA C[C@@H](CCO)N1CCC2(CC1)Nc1ccccc1NC2=O 82133570 OGZZBEKQQOHULD-LBPRGKRZSA-N 289.379 1.656 0 50 CDAA CC[C@H](NS(=O)(=O)c1cc(C)cs1)[C@H]1C[C@@H](O)C1 222763666 DQWQWXSSIMVVGA-DCAQKATOSA-N 289.422 1.884 0 50 CDAA O=C(c1cnco1)N1CCCC[C@@H]1CCN1CCOCC1 222564024 FXXLAXMKWWMZQW-CYBMUJFWSA-N 293.367 1.392 0 50 CDAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@@H](CN)C1 178530054 IBCFTXKFLAADGC-ZJUUUORDSA-N 284.306 1.539 0 50 CDAA COC1(c2nc(C3CCOCC3)no2)CCNCC1 225498182 MNNOFMVONJYTEY-UHFFFAOYSA-N 267.329 1.189 0 50 CDAA CN(CCC[C@H]1CCCO1)C(=O)NCc1ccon1 426612413 KFTCTWTXVHFFMN-LBPRGKRZSA-N 267.329 1.775 0 50 CDAA CCCC[C@@H](CC)CC(=O)NC[C@]1(O)CCOC1 178915427 WVHGRNCNOORNFI-TZMCWYRMSA-N 257.374 1.861 0 50 CDAA CCOC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1=O 96024134 STZNGLKBJPCWIB-SNVBAGLBSA-N 285.340 1.766 0 50 CDAA Cc1cnccc1NCCNC(=O)[C@@H]1CCCCCN1C 95371567 LMZXWCRLKQDDDZ-HNNXBMFYSA-N 290.411 1.793 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(CCCOc3ccc(F)cc3)C[C@H]21 534666903 YDTMBZMMMPTOBJ-WDNDVIMCSA-N 279.311 1.857 0 50 CDAA Cc1noc(C)c1CC(=O)N1CC[C@@]2(CCCN(C)C2)C1 293900138 HBTQCVPCOWYRRU-MRXNPFEDSA-N 291.395 1.778 0 50 CDAA Cn1cncc1CCC(=O)N1CC[C@@H](O)C12CCCC2 294086692 ILSPASPXBKWRBR-CYBMUJFWSA-N 277.368 1.259 0 50 CDAA COCCN1CC[C@H](OC(C)=O)[C@@H]2CCCC[C@H]21 230026007 COHAZZNQVVNWKS-MCIONIFRSA-N 255.358 1.829 0 50 CDAA O=C(O)c1[nH]ncc1CN1CCC(Cn2cccn2)CC1 97610075 CQADXOCOUBERKG-UHFFFAOYSA-N 289.339 1.217 0 50 CDAA 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CDAA CCc1cccc(N(C)C(=O)c2cn(CCN)nn2)c1 2325796190 ZBTOAVKKGQOHKF-UHFFFAOYSA-N 273.340 1.076 0 50 CDAA NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 55454 LXJKBJZVOISOOA-UHFFFAOYSA-N 282.346 1.648 0 50 CDAA COc1cc(CN2CCSCC2)cc2c1OCO2 209342 WMDRNPVWSGENIL-UHFFFAOYSA-N 267.350 1.973 0 50 CDAA CC(C)c1ccc2oc(=N[C@H]3CCC(=O)NC3=O)[nH]c2c1 1857797814 VUULMTPHMJIFRT-JTQLQIEISA-N 287.319 1.590 0 50 CDAA Cc1cccc(OCc2nnc(SCC(N)=O)n2C)c1 420614 OMHOFKGWHYANJR-UHFFFAOYSA-N 292.364 1.280 0 50 CDAA NC(=O)c1ccc(N2C(=O)CCC2=O)cc1Cl 458511 GETWZUGGKIUQAX-UHFFFAOYSA-N 252.657 1.092 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CCCC2)cc1 470371 DUMPINCARVAWPT-UHFFFAOYSA-N 255.339 1.870 0 50 CDAA CC1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1 609048 WVNKNJBCMIRZBN-UHFFFAOYSA-N 285.347 1.806 0 50 CDAA O=C(O)CSCCS(=O)(=O)c1ccccc1 2170072 GYXHZRSOODGKOY-UHFFFAOYSA-N 260.336 1.278 0 50 CDAA COc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1OC 4839361 AFHZUDVQQAPRFQ-MRVPVSSYSA-N 265.265 1.141 0 50 CDAA NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 4840585 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Cn1cc(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cn1 248607451 VOQIGSSYINBHJH-XQQFMLRXSA-N 291.351 1.207 0 50 CDAA C[C@](O)(CNC(=O)c1ccncc1Cl)C1CC1 310500787 JEWIMUMLJLJDEQ-LBPRGKRZSA-N 254.717 1.626 0 50 CDAA CNc1ccnc(-c2cccc3c2O[C@H](CN)C3)n1 67881756 XVMMUBCUITUTKT-JTQLQIEISA-N 256.309 1.448 0 50 CDAA CCCN1CCC[C@@H](CNC(=O)c2ccn(CC)n2)C1 67689296 WDLIFWIMYSPGKX-ZDUSSCGKSA-N 278.400 1.755 0 50 CDAA COc1ncccc1C(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 250282905 NXKDEUACJDAYRZ-GAIPPQHRSA-N 290.319 1.319 0 50 CDAA Cn1cccc(C(=O)N(CCO)Cc2ccccc2)c1=O 170222273 YQDPPGUBMJLOST-UHFFFAOYSA-N 286.331 1.020 0 50 CDAA CCC[C@@H](N)C(=O)N1CCOC[C@H]1c1ccccc1 376789929 PIGFLTSUJGSXSV-KGLIPLIRSA-N 262.353 1.714 0 50 CDAA CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)nc1 32547786 MAAXAWHNFUDMLL-UHFFFAOYSA-N 277.368 1.807 0 50 CDAA O=S1(=O)CCN(OCc2ccc(Cl)cc2)CC1 1383748 JNLCMZJZSFTRMU-UHFFFAOYSA-N 275.757 1.502 0 50 CDAA O[C@H](CNCc1ccon1)c1c(F)cccc1F 148851808 ZBOJCIMCSRQPQB-LLVKDONJSA-N 254.236 1.776 0 50 CDAA CN(C)C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 253473239 SZHYGCKGDYWESL-UHFFFAOYSA-N 284.743 1.995 0 50 CDAA CN(CCN1CCCCC1=O)C(=O)c1c(O)cccc1F 219352525 KZXHHQVRPQYMJN-UHFFFAOYSA-N 294.326 1.616 0 50 CDAA CCc1ccccc1OCC(=O)N1C[C@H](C)N[C@@H](C)C1 153308528 MADTYASSERFLIN-STQMWFEESA-N 276.380 1.837 0 50 CDAA CC1=NO[C@H](C(=O)NCCOc2ccccc2F)C1 71763369 JWWYTOSSXSIQJI-LBPRGKRZSA-N 266.272 1.486 0 50 CDAA Cc1noc(C)c1NC(=O)N1CC[C@@H]2CC[C@H](C1)N2C 72941851 BWSGPJIZIMMINF-NWDGAFQWSA-N 278.356 1.992 0 50 CDAA CCO[C@@H](C)c1nc(CC(=O)N2CC[C@@H](N)C2)cs1 237032252 UEXHHEZPTLMCBK-VHSXEESVSA-N 283.397 1.343 0 50 CDAA COCc1cccc(CC(=O)N=c2cc(C)c(C)n[nH]2)c1 488892091 GJZJQQPFVJOUPY-UHFFFAOYSA-N 285.347 1.843 0 50 CDAA COc1cc(CNC(=O)[C@@H]2C[C@@H]2C)ccc1C(=O)O 237350299 RWDYDCPSZUKMMB-GZMMTYOYSA-N 263.293 1.666 0 50 CDAA CC(C)(CNC(=O)c1cnn2c1CCC2)C1(O)CCCC1 333725466 IXMYRQDRBZMVBA-UHFFFAOYSA-N 291.395 1.890 0 50 CDAA COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC1(F)F 39326161 WUFQXMSHYJFUIH-SECBINFHSA-N 251.229 1.462 0 50 CDAA C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)C12CCCN1CCC2 334205174 XJJSVMQFLSIYGG-CABCVRRESA-N 291.439 1.700 0 50 CDAA Cc1nc(C(=O)N2[C@H]3CCC[C@H]2CC3)c(=O)[nH]c1C 334252620 LIGSVNLZEHSDTI-QWRGUYRKSA-N 261.325 1.544 0 50 CDAA C[C@@H](N)CC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 261903221 ZJXAMJMFOUWUSZ-GHMZBOCLSA-N 273.340 1.182 0 50 CDAA Cc1nn2cccnc2c1C(=O)N[C@@H](C)C1CCC1 129458339 SPKSMYLDQHWEID-VIFPVBQESA-N 258.325 1.956 0 50 CDAA COCCC1(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)CCC1 262167170 QBRQKPSLEMXULE-LBPRGKRZSA-N 295.379 1.907 0 50 CDAA CCN(CCO[C@H]1CCCCO1)c1cnn(C)c1 521396726 CELURABVXMFCNH-ZDUSSCGKSA-N 253.346 1.790 0 50 CDAA CNC(=O)CN(C)C(=O)/C(C)=C/C1CCC(C)CC1 521396247 BMURQAQCXJOTNO-FMIVXFBMSA-N 266.385 1.963 0 50 CDAA O=C([C@@H]1CC[C@H](NCc2ccccn2)C1)N1CCCC1 373861448 ZFOABEDHDFOYQQ-KGLIPLIRSA-N 273.380 1.962 0 50 CDAA C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(F)c(Cl)c1 129875302 HOPVUMKXLFFDJS-WCBMZHEXSA-N 287.718 1.701 0 50 CDAA CCc1nnc(CNC(=O)c2n[nH]c3c2CCC3)s1 216297256 WHJMAUAMYIZBKR-UHFFFAOYSA-N 277.353 1.242 0 50 CDAA Cc1ocnc1C(=O)N1CC(N2CCCC[C@H]2C)C1 216067549 ASNXDZXTHLWBOB-SNVBAGLBSA-N 263.341 1.682 0 50 CDAA CCOC1(C(=O)NC[C@@H]2CCC[C@@H]2O)CCCC1 241144899 JTZTVZLCYROJJM-RYUDHWBXSA-N 255.358 1.613 0 50 CDAA Cn1nnc(COc2cccc3c2OC(C)(C)C3)n1 283479675 HMQQHALWPVYQGV-UHFFFAOYSA-N 260.297 1.503 0 50 CDAA O[C@]1(c2c[nH]nn2)CCN(c2nc3ccccc3o2)C1 284443626 FWIPCGNRGDREAW-CYBMUJFWSA-N 271.280 1.044 0 50 CDAA Cc1noc([C@H]2CN(C(=O)c3occc3C)CCN2C)n1 284502914 BPSPPIWPDFFTDT-LLVKDONJSA-N 290.323 1.408 0 50 CDAA Cc1nccc([C@H]2CCCN(c3nccn(C)c3=O)C2)n1 608080836 SMZSYPDJMPJIHF-LBPRGKRZSA-N 285.351 1.263 0 50 CDAA O=C(O)CCC1CCN(C[C@H]2CCCOC2)CC1 86756042 BLKOAJYEYGOUFK-CYBMUJFWSA-N 255.358 1.990 0 50 CDAA O=C(O)CNC(=O)c1scnc1C1CCCC1 263578811 TUWAKLWVJWZKMC-UHFFFAOYSA-N 254.311 1.615 0 50 CDAA C[C@H](NC(=O)c1cnccn1)c1nncn1C1CCCC1 223708971 WWEGIHQEXUAMGP-JTQLQIEISA-N 286.339 1.674 0 50 CDAA NC[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2)C1 178527682 WDKRYLYIPIKEDH-NSHDSACASA-N 282.771 1.916 0 50 CDAA Cn1ncc2c(NCC3([S@@](C)=O)CCC3)ccnc21 287907434 VTEHAGJDJFZOAN-LJQANCHMSA-N 278.381 1.681 0 50 CDAA COCCOC1CCN(C(=O)[C@H](C)n2ccnc2C)CC1 426716103 ORHORHSYXBCCCB-LBPRGKRZSA-N 295.383 1.407 0 50 CDAA Cc1ccc(CS(=O)(=O)N2CCC(C(=O)O)CC2)cc1 226087527 UUTBZDHLTJLKQW-UHFFFAOYSA-N 297.376 1.621 0 50 CDAA CCC(=O)N1CC[C@@H](NCc2ccc3nc[nH]c3c2)C1 531883690 OZIOPDREIJRIQJ-GFCCVEGCSA-N 272.352 1.663 0 50 CDAA O=C(NCC1=CCCC1)c1cc(O)nc(C2CC2)n1 620008295 OLTBDVAECFVASJ-UHFFFAOYSA-N 259.309 1.900 0 50 CDAA COCCN(C)C(=O)NCCc1nc2ccccc2n1C 426494488 YANAYKHMFIOKNJ-UHFFFAOYSA-N 290.367 1.404 0 50 CDAA c1cncc(NCCN=c2cc([C@@H]3CCOC3)nc[nH]2)c1 426618348 OCNBGLKYRDTYJD-GFCCVEGCSA-N 285.351 1.321 0 50 CDAA O=C(Cc1cn2ccsc2n1)NCCCn1ccnc1 97743048 KGWXDWSYOZXVPC-UHFFFAOYSA-N 289.364 1.341 0 50 CDAA C[C@@H]1CN(c2nc(C(N)=O)cs2)C[C@@H](C2CC2)O1 293224861 VPKDCSZYCLSSME-XCBNKYQSSA-N 267.354 1.246 0 50 CDAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1c[nH]nn1 97785323 PXQZWSJKSBLSSB-MRVPVSSYSA-N 271.202 1.233 0 50 CDAA O=C(N1CCCC1)N1CCC(Nc2ccncn2)CC1 91526656 DRGCVNFXSRXPQI-UHFFFAOYSA-N 275.356 1.569 0 50 CDAA COc1cccc(OCCc2cncc(C(N)=O)c2)c1 91325772 ZXQMXURXBBCIMR-UHFFFAOYSA-N 272.304 1.811 0 50 CDAA C[C@H](C(=O)NCc1ccccc1)N(C)CC1(C)COC1 244874178 WWBYEKGXONMYTN-CYBMUJFWSA-N 276.380 1.660 0 50 CDAA CCc1cc(C(=O)N[C@H](CC)[C@H]2C[C@H](O)C2)cc(O)n1 253535653 LCOVAGOELFQUBV-OASPWFOLSA-N 278.352 1.629 0 50 CDAA CN(C(=O)c1cc(C2CC2)[nH]c1C1CC1)[C@@H]1CCNC1=O 626289844 OMQVSRFLVLXSND-CYBMUJFWSA-N 287.363 1.730 0 50 CDAA COCCN1C[C@H](Cc2ccc(C)c(C)n2)CC1=O 252497043 PXWWDHYRLJGQJF-CYBMUJFWSA-N 262.353 1.736 0 50 CDAA COC[C@](C)(CC(=O)O)NC(=O)[C@@H]1C[C@H]1C1CC1 299746253 WCLOBZYVHGCCSR-CWSCBRNRSA-N 255.314 1.029 0 50 CDAA C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1ccncc1 299746126 VLRGBMRLZAGNLX-CMPLNLGQSA-N 262.309 1.651 0 50 CDAA CN1CCC(OCCCNc2cnccn2)CC1 534632467 VDNMMXPRPHNITQ-UHFFFAOYSA-N 250.346 1.389 0 50 CDAA CCCc1nc(=NCCn2ncc3ccccc3c2=O)[nH]o1 534672983 SWIKMDVDDPVFEU-UHFFFAOYSA-N 299.334 1.266 0 50 CDAA 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0 50 CDAA Cn1cc([C@@H]2OCCC[C@H]2CNCc2nccn2C)cn1 886080428 XUARNQWQKUSSFP-SWLSCSKDSA-N 289.383 1.411 0 50 CDAA Cc1nccnc1[C@H](C)NC[C@@H]1CCO[C@H]1c1ncc[nH]1 888078205 YQKYODDQYKGGJU-SGMGOOAPSA-N 287.367 1.937 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@@]1(c2ncc[nH]2)CCOC1 888103149 KGJRFDNWMXNJOO-ZDUSSCGKSA-N 260.297 1.092 0 50 CDAA COc1ccc(C(=O)NCCN2CCNC2=O)c(Cl)c1 894579247 AIOJUKVGTBKUSS-UHFFFAOYSA-N 297.742 1.104 0 50 CDAA CCOc1nc(N(C)Cc2ncccn2)ncc1Cl 895062765 PZHDNBVQPYIJSN-UHFFFAOYSA-N 279.731 1.955 0 50 CDAA CCCCN(CCO)CC(=O)N1[C@H](C)CCC[C@H]1C 248237550 NCZKIPHDIBTCJM-ZIAGYGMSSA-N 270.417 1.870 0 50 CDAA CCN1C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCCN2C1=O 899308972 MGCAYNWOUNNGMU-JTQLQIEISA-N 297.355 1.280 0 50 CDAA C/C(=C\Cl)CS(=O)(=O)Cc1ncnn1C(C)C 899495724 GZWUBJPNHNODIS-RUDMXATFSA-N 277.777 1.916 0 50 CDAA C[C@]1(C(N)=O)CCCCN1Cc1nc2c(F)cccc2[nH]1 185941313 CPPSCHZDMWFUBP-OAHLLOKOSA-N 290.342 1.932 0 50 CDAA NCc1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1 186481836 NQOXZUWNBFLQMN-AWEZNQCLSA-N 260.337 1.396 0 50 CDAA O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1C[C@H](F)CN1 188447950 BMBHIFUICFBLIV-GXFFZTMASA-N 274.299 1.511 0 50 CDAA C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(N)nn1C 725130417 UIKSGZFBQBIOMH-VIFPVBQESA-N 276.315 1.975 0 50 CDAA COc1nccc(CNc2cccc3c2CCNC3=O)n1 581357305 JKXFPRFGHGUHDA-UHFFFAOYSA-N 284.319 1.383 0 50 CDAA CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)C1)Cc1ccccc1 190741878 LRXDBUOFMLGBGX-LSDHHAIUSA-N 288.391 1.754 0 50 CDAA Cc1nsc(C)c1NC(=O)COC[C@H]1CCCO1 585124836 VIHSYGGAMRNLHR-SNVBAGLBSA-N 270.354 1.894 0 50 CDAA CSC[C@H](C)C(=O)N1CC[C@@H](c2cc(O)n[nH]2)C1 585129971 DBWOYABQRCUJIP-DTWKUNHWSA-N 269.370 1.430 0 50 CDAA CC(=O)c1nc(NC(=O)COC[C@H]2CCCO2)sc1C 585124536 HERPGWBLGVWGQY-SNVBAGLBSA-N 298.364 1.788 0 50 CDAA O=C(O)c1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)nc1 647739569 GVATXFGHJVEKRC-LBPRGKRZSA-N 286.291 1.480 0 50 CDAA CC(C)[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)CCO1 649339468 YQKFFBOWVSNTSN-ZDUSSCGKSA-N 275.352 1.851 0 50 CDAA CCNc1ncc(C(=O)NCc2nccn2CC)cn1 65395264 SDDBTLDJKLZYOV-UHFFFAOYSA-N 274.328 1.055 0 50 CDAA Cn1ncc(C2CCC2)c1C(=O)N1CC[C@H](C(=O)O)C1 659142887 HYVNYDNDSFQELF-JTQLQIEISA-N 277.324 1.234 0 50 CDAA C[C@H]1CO[C@H](C)CN1C(=O)C[C@H]1NCc2ccccc21 659261719 CUNFWCOHRGYPQT-YWPYICTPSA-N 274.364 1.857 0 50 CDAA Cc1cc(S(=O)(=O)NC2CC(CO)C2)c(F)cc1F 660147861 ZQEWOBLDAKDPDL-UHFFFAOYSA-N 291.319 1.322 0 50 CDAA COc1cc(OC)nc(N(C)CC[C@H]2CCCCO2)n1 1529180597 LORVRFBVEMLYFO-LLVKDONJSA-N 281.356 1.889 0 50 CDAA CO[C@@H](C)c1nnc(NC(=O)Cn2ccnc2C)s1 1529120930 UPQWIQOIQQNGQE-ZETCQYMHSA-N 281.341 1.389 0 50 CDAA C[C@]1(O)CCN(C(=O)CCN)C[C@H]1Cc1ccccc1 215154041 FNBMDMAHLINZGW-ZBFHGGJFSA-N 276.380 1.177 0 50 CDAA CC(C)Oc1cccnc1C(=O)Nc1cnccn1 125508113 GXNINARFLHBDST-UHFFFAOYSA-N 258.281 1.911 0 50 CDAA Cn1cncc1C(=O)N1CCCN([C@@H]2CCSC2)CC1 1800413502 IOFBWOXHNBZJAN-GFCCVEGCSA-N 294.424 1.074 0 50 CDAA Cc1cc(C)cc(C(=O)N[C@H]2CC[C@H](O)[C@H](O)CC2)c1 1616037267 HUPBCGOHRKKDFH-QKDCVEJESA-N 277.364 1.698 0 50 CDAA COCc1cncc(C(=O)N[C@H]2C[C@H](N)C23CCC3)c1 1615554459 LBWIJGCXFVCMLI-STQMWFEESA-N 275.352 1.228 0 50 CDAA Cc1nc(CCNc2nnc(CN(C)C)o2)sc1C 1772819158 GFRXWVKAZCLBEX-UHFFFAOYSA-N 281.385 1.859 0 50 CDAA Cc1nnc2n1C[C@H](CNC(=O)c1ccc(N(C)C)cc1)C2 1772804226 JLSBCIAXBBSVGE-LBPRGKRZSA-N 299.378 1.255 0 50 CDAA CC(C)Cc1cc(CNc2nnc(CN(C)C)o2)on1 1772709169 IRSSKNOWNMFLDS-UHFFFAOYSA-N 279.344 1.930 0 50 CDAA CC(C)OC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC(C)C 5822310 DSGKZMJPCBCYID-NXEZZACHSA-N 274.313 1.410 0 50 CDAA COC(=O)CCNC(=O)N1CCn2c1nc1ccccc12 5451509 HCSABCCGYZNOPG-UHFFFAOYSA-N 288.307 1.129 0 50 CDAA COc1ccc(S(=O)(=O)C[C@H]2CCCNC2)cc1 11967561 OYPCDATUUUWGKD-NSHDSACASA-N 269.366 1.469 0 50 CDAA COc1cccc(C(=O)NCCC(=O)N2CCCCC2)c1 16650502 PRETXNVCYBZGJZ-UHFFFAOYSA-N 290.363 1.828 0 50 CDAA Cc1cc(-c2nc(CCN3CCCC3=O)no2)cc(O)n1 19145600 FOIPJPNAOAMGJX-UHFFFAOYSA-N 288.307 1.311 0 50 CDAA O=S(=O)([C@H]1C[C@@H]1c1ccccc1)N1C[C@H](F)C[C@H]1CO 1857529495 JCKNWFUWEZBBKK-RQJABVFESA-N 299.367 1.277 0 50 CDAA Cc1cc(CC(=O)N[C@@H]2CCC[C@H]2N(C)C)cc(C)n1 1857689311 AAJDPQQWKIGAED-HUUCEWRRSA-N 275.396 1.840 0 50 CDAA C[C@@H](C(N)=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857714582 XEGDDGKRWKMUJN-NSHDSACASA-N 284.363 1.351 0 50 CDAA Cc1cccnc1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328619788 GFKACHTZOILYGD-GFCCVEGCSA-N 285.351 1.242 0 50 CDAA Cc1ccc(N2C(=S)N(C)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 1110223 RWFBXSWDPBZFRJ-RYUDHWBXSA-N 296.417 1.197 0 50 CDAA C[C@@H]1C[C@H]1C(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 620120400 HIJOCWPOIFWJSP-FXAINCCUSA-N 287.319 1.552 0 50 CDAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2CO)c1 125147402 VWGDYSNTGPOWFK-AEGPPILISA-N 275.348 1.782 0 50 CDAA Cc1ccsc1CNC(=O)CN1CCC[C@H]1C(=O)O 237770259 WAGBEFQXVBNFSJ-JTQLQIEISA-N 282.365 1.222 0 50 CDAA NC[C@H]1CCCN1C(=O)c1cnc(-c2ncccn2)s1 238054477 JGCIMXQMSLUZNH-SECBINFHSA-N 289.364 1.163 0 50 CDAA O=C(CCO)N1C[C@H]2CC[C@@H](C1)N(Cc1ccccc1)C2 247801190 VVUOZCRFZABQDJ-HOTGVXAUSA-N 288.391 1.492 0 50 CDAA Clc1cccnc1N1CC[C@@H](NCc2ncc[nH]2)C1 151247383 SLQPCHRDBROGFJ-SNVBAGLBSA-N 277.759 1.827 0 50 CDAA C[C@H]1CN(C(=O)CCCc2ccccn2)C[C@H](C)N1 153260425 SLWBSKPEKXAKHM-STQMWFEESA-N 261.369 1.613 0 50 CDAA Cc1cccnc1C(=O)N(C)C[C@H]1CCn2ccnc2C1 583622914 GVRVKMSBYDUOSH-ZDUSSCGKSA-N 284.363 1.921 0 50 CDAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)C(F)=C1CCCC1 818526814 QFXSDIFUFGSYTI-MCIONIFRSA-N 296.386 1.888 0 50 CDAA Cc1ccnn1CC(=O)N1CCCC[C@@H]1CC(=O)O 901999398 ZFMHTZNDYPVSKA-LLVKDONJSA-N 265.313 1.047 0 50 CDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccoc3)CC2)C1 1704340307 FTIYUXZHOWRBTN-CQSZACIVSA-N 279.336 1.816 0 50 CDAA OC1(Cc2ccccn2)CCN(Cc2ncccn2)CC1 930990941 PQISWLZZLYUXBH-UHFFFAOYSA-N 284.363 1.441 0 50 CDAA CCc1ccc2c(c1)CCN2C(=O)Nc1cnnn1C 931275000 KLAXIDGBAHTWQZ-UHFFFAOYSA-N 271.324 1.972 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@@H](C)c3csnn3)c2n1 1120659715 HKPBGWCYNGMRLZ-QMMMGPOBSA-N 288.336 1.380 0 50 CDAA O=C(O)[C@@H]1COCCN(CC2CCC(F)(F)CC2)C1 1772805163 IWKGLZVJTOZMNP-NSHDSACASA-N 277.311 1.845 0 50 CDAA CSc1ccccc1C(=O)NCc1n[nH]c(C)n1 216436420 IVDCHGSVZYVWCC-UHFFFAOYSA-N 262.338 1.765 0 50 CDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C 4005868 HKQYJNOOHJMWEY-LBPRGKRZSA-N 263.337 1.933 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)c(C)c1 228343339 NEDHRMKVHVTUFR-OLZOCXBDSA-N 282.409 1.804 0 50 CDAA CO[C@H](C)CC(=O)N1CCC[C@H](CCC(=O)O)C1 237179152 ONRLJNRDDFGSBG-GHMZBOCLSA-N 257.330 1.515 0 50 CDAA Cn1cccc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 262456185 QDQSOGFEUCXRCT-SNVBAGLBSA-N 262.309 1.352 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(Cc2cscn2)CC1 262485603 YNJZFPCPKJFVEI-NSHDSACASA-N 269.370 1.124 0 50 CDAA Cc1cncc(C(=O)N2C[C@H](C(=O)O)CC[C@H]2C)c1 263533164 XSWHCXJWYQGKLN-GHMZBOCLSA-N 262.309 1.715 0 50 CDAA CO[C@@H]1CCCN(c2ncc(C(=O)O)cn2)CC1 649392465 NYGLKKMIJOKLHW-SNVBAGLBSA-N 251.286 1.180 0 50 CDAA C[C@H]1CC(CNC(=O)c2cccc3nc(O)[nH]c23)=NO1 2325794745 PHETVSNIJDMESJ-ZETCQYMHSA-N 274.280 1.163 0 50 CDAA O=C(N[C@@H](Cc1nn[nH]n1)c1ccccc1)c1ccsc1 2325863048 SEJLRLHHLKNXOG-LBPRGKRZSA-N 299.359 1.975 0 50 CDAA C=CC(=O)N1CCCC[C@@H]1Cc1cc(C(=O)OC)no1 2325890230 YRCRTVGANGIZRL-SNVBAGLBSA-N 278.308 1.571 0 50 CDAA Nc1nnc(SCC(=O)Nc2ccccc2)s1 76395 LZIITYOJDOSNHT-UHFFFAOYSA-N 266.351 1.851 0 50 CDAA CCOC(=O)N1N=C(CC)C[C@@]1(O)c1ccncc1 302342 CPBRPNAYDGKNOC-CYBMUJFWSA-N 263.297 1.855 0 50 CDAA CCOC(=O)COc1ccc(CCNC(C)=O)cc1 437822 PVSUBAHYRQJJGR-UHFFFAOYSA-N 265.309 1.307 0 50 CDAA CCn1nnc(NC(=O)c2ccc(Br)o2)n1 612920 MOULPPMPQMKHSX-UHFFFAOYSA-N 286.089 1.301 0 50 CDAA CCC[C@@]1(C(=O)O)CN(Cc2cccc(O)c2)CC[C@@H]1O 2356140704 OTWVZWLYWLBPBQ-GOEBONIOSA-N 293.363 1.830 0 50 CDAA CC[C@@]12COC(=O)N1CCN(c1nc(C)c(C)c(C)n1)C2 2356142983 PMIUXQNLEKBREJ-OAHLLOKOSA-N 290.367 1.823 0 50 CDAA CCOCCOC(=O)CCCCC(=O)OCCOCC 3875765 NJEMMCIKSMMBDM-UHFFFAOYSA-N 290.356 1.706 0 50 CDAA CCCN1C(=O)[C@H](NC(C)=O)c2cc(OC)ccc21 4295842 CQZJKQCWRAQAGA-CYBMUJFWSA-N 262.309 1.629 0 50 CDAA CCCCN(CCCC)C[C@H](O)CS(=O)(=O)O 4831688 WPRVXAYSKZORQS-NSHDSACASA-N 267.391 1.137 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)O 6615307 BHTRKISIDQZUQX-RYUDHWBXSA-N 295.335 1.568 0 50 CDAA Cn1c(=S)[nH]c(=O)c2nc(-c3ccccc3)[nH]c21 6622391 YXTZFTASILVOQY-UHFFFAOYSA-N 258.306 1.986 0 50 CDAA CCOc1cc(C)ccc1S(=O)(=O)N[C@H](CC)CO 54363418 DGGTUEUWDULTMY-LLVKDONJSA-N 287.381 1.443 0 50 CDAA Cc1nn2c(ncc3c(=O)n(N)ccc32)c1-c1ccccc1 9051230 ZTHIBTCHOHFFTG-UHFFFAOYSA-N 291.314 1.733 0 50 CDAA COc1cccc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 112712310 PRHFGTZCAJSOFV-NSHDSACASA-N 287.323 1.423 0 50 CDAA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCCO 100729692 DQPAUWCBHXPQSA-UWVGGRQHSA-N 257.717 1.277 0 50 CDAA COc1ccc2ccccc2c1CNCCOCCO 10435731 ITVOEIKLIRIIJT-UHFFFAOYSA-N 275.348 1.947 0 50 CDAA O=C1Nc2ccc(F)cc2[C@@H]1CC(=O)N1CCCO1 20855989 VHLSRLMHEMREIA-JTQLQIEISA-N 264.256 1.415 0 50 CDAA COc1ccccc1CCNC(=O)CNC1CC=CC1 65527828 AHGKPDWNKIRPGI-UHFFFAOYSA-N 274.364 1.662 0 50 CDAA CCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 67946813 LBYGGBQVBXTYFQ-NWDGAFQWSA-N 277.320 1.502 0 50 CDAA CCNc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1 67601964 FMZOTSCJRCBRGO-UHFFFAOYSA-N 291.399 1.521 0 50 CDAA COc1cc(-c2ccc(F)c(CO)c2)nc(OC)n1 67740056 DQIQSFQIXSBFLI-UHFFFAOYSA-N 264.256 1.792 0 50 CDAA CCc1cc(-c2nc(-c3n[nH]c(C4CC4)n3)no2)n[nH]1 351193044 JIVDCXZORQZCOS-UHFFFAOYSA-N 271.284 1.685 0 50 CDAA CCCc1nc(C)cc(NCCN(C)S(C)(=O)=O)n1 65498967 OLERMZCGISNMEU-UHFFFAOYSA-N 286.401 1.041 0 50 CDAA CC(=O)c1cccc(C(=O)N2C[C@H](N(C)C)C[C@H]2CO)c1 65527719 DGFZEZYHRSZMIB-CABCVRRESA-N 290.363 1.026 0 50 CDAA C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)C(=O)O 122662167 ZDEKJDWAQYANPV-SSDOTTSWSA-N 268.338 1.813 0 50 CDAA COc1ccc2ccn(CCC3OCCO3)c(=O)c2c1 120305633 YGWLBLSWMYRHPA-UHFFFAOYSA-N 275.304 1.773 0 50 CDAA Cc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1CO 121179377 OAUVMYILIQLNFV-LLVKDONJSA-N 280.299 1.056 0 50 CDAA COCc1nc(C)c(CNC(=O)Cc2ccccn2)s1 218828511 OCYYWMSIFBBQBR-UHFFFAOYSA-N 291.376 1.852 0 50 CDAA O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CCC(F)(F)C1 331307052 GGYBGZJRKJKPAE-VXGBXAGGSA-N 290.354 1.385 0 50 CDAA CN(C)C[C@@]1(O)CCCN(C(=O)c2c(F)cccc2F)C1 72154322 MHFRFYFZKYNJTC-HNNXBMFYSA-N 298.333 1.494 0 50 CDAA C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1N1CCOCC1 253421565 YAMUDUHUQJWTNX-QWRGUYRKSA-N 290.354 1.457 0 50 CDAA CCOc1ccc(Br)cc1-n1cnnn1 36646398 ZMWJBIPGDOZOTM-UHFFFAOYSA-N 269.102 1.824 0 50 CDAA CCc1nc(CN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)n[nH]1 328930531 AUAGCLCAOCDYMV-ZOWXZIJZSA-N 294.399 1.119 0 50 CDAA CC(=O)c1cc(CN(C)C[C@@H]2CC(=O)N(C)C2)n(C)c1 215872591 XQKKABARBHNHPG-LBPRGKRZSA-N 277.368 1.138 0 50 CDAA Cc1c(C(=O)N(C)[C@@H](C)C(=O)O)nnn1-c1ccccc1 263230975 AWBVKPHANXDYCE-JTQLQIEISA-N 288.307 1.121 0 50 CDAA CCc1n[nH]cc1C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 77420859 QDKRYNURZSZFRT-NSHDSACASA-N 292.383 1.301 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)C(=O)NC[C@@H](C)CC(=O)O 262167221 OFIHPCVMDJORLX-IUCAKERBSA-N 281.356 1.367 0 50 CDAA O=C(NC[C@@H]1COCCO1)c1cnc2ccccc2c1 215965117 FYBCBWBGLOSULS-CYBMUJFWSA-N 272.304 1.380 0 50 CDAA Cc1ncsc1C(=O)N(CCC(=O)O)C1CCOCC1 237656073 QLPDBRPFBDBDGM-UHFFFAOYSA-N 298.364 1.547 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2CCNC2)c2ccc(F)cc2O1 237758016 HPKOTKSKQUZOOM-VHSXEESVSA-N 264.300 1.549 0 50 CDAA CCCCCCN1CC2(CCN(C(=O)CO)CC2)OC1=O 77321256 HOQBIZRKTKXVBT-UHFFFAOYSA-N 298.383 1.372 0 50 CDAA Nc1nc2c(c(NCC3=CCCCC3)n1)CCNCC2 72478947 KRYYOSHJISGIIJ-UHFFFAOYSA-N 273.384 1.659 0 50 CDAA CC1(CO)CN(C(=O)c2ccc3c(c2O)CCCC3)C1 335008106 XKFGXPPKCRJOLE-UHFFFAOYSA-N 275.348 1.725 0 50 CDAA CCn1cc(NS(=O)(=O)c2cn(C(C)C)cn2)cn1 131659232 QKXYWYSDZBDGON-UHFFFAOYSA-N 283.357 1.481 0 50 CDAA Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C(N)=O)C2)c(C)c1 284616527 OORIFUXQEYKHDX-DGCLKSJQSA-N 260.337 1.497 0 50 CDAA O=C(c1ccoc1Cl)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286207222 JKJRKVUHLKFXQS-MVWJERBFSA-N 299.754 1.935 0 50 CDAA COC[C@@H]1CN(C(=O)c2cncc(C)c2)CC(C)(C)O1 285400587 GBDXOCWNWMVNQJ-ZDUSSCGKSA-N 278.352 1.656 0 50 CDAA CN(C[C@@H]1COCCO1)C(=O)Cn1ccc2ccccc21 220309956 MEKHNUYPHKKXOQ-CQSZACIVSA-N 288.347 1.515 0 50 CDAA C[C@@H]1CN(c2ccncc2Cl)C[C@@H]1N1CCOCC1 176703357 ZNGIQUBZGCYFTO-RISCZKNCSA-N 281.787 1.892 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)c1ccn(C(F)F)n1 223301958 FURUFSJLYYIPKC-QMMMGPOBSA-N 298.297 1.771 0 50 CDAA Cc1cc(=O)c(C(=O)NCCc2ccc(C)o2)c[nH]1 530571839 LPAGULSGDANXGQ-UHFFFAOYSA-N 260.293 1.557 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1Cc1ccco1 195397460 CVYRGPUOIVOLJM-ARFNZGECSA-N 269.300 1.833 0 50 CDAA NC[C@H]1CCN(C(=O)/C=C/c2c(F)cccc2F)C1 178538932 VNGMZBHCFYBFKI-ORAHPGNNSA-N 266.291 1.785 0 50 CDAA Cc1nc(CC2CCN(C(=O)C[C@H]3CCOC3)CC2)no1 426491029 IBVXWULCJCVTSY-CYBMUJFWSA-N 293.367 1.586 0 50 CDAA Cc1cnn(CC2CCN(C(=O)[C@@H]3CCCCO3)CC2)c1 336491393 FIALLWWBLGRUIU-HNNXBMFYSA-N 291.395 1.999 0 50 CDAA CCc1noc([C@H](C)NC(=O)N(C)Cc2cccnc2)n1 426537477 LINAGCYXLMERIW-JTQLQIEISA-N 289.339 1.930 0 50 CDAA Cc1nc2ccccc2nc1Cn1ncc(N(C)C)cc1=O 95357969 FFVGMMJTPBCGGM-UHFFFAOYSA-N 295.346 1.609 0 50 CDAA Cc1cc(C(N)=O)ccc1NC(=O)N(C)[C@@H]1CCN(C)C1 96165013 JOQZLLRTFZBAJS-GFCCVEGCSA-N 290.367 1.262 0 50 CDAA CN1CC[C@H](C(=O)NCCCSCc2ccco2)C1 97259352 RKAKBCUJBUUPEY-LBPRGKRZSA-N 282.409 1.971 0 50 CDAA c1cncc(CN2CCCO[C@H](CN3CCCC3)C2)c1 97766850 ATFCXTIPWYGGOR-MRXNPFEDSA-N 275.396 1.768 0 50 CDAA COC(=O)c1nn(C)c2ncc(Br)cc12 95707763 GGILHBFZRKBNSR-UHFFFAOYSA-N 270.086 1.517 0 50 CDAA Cc1ccc(N2C[C@@H]3[C@H]4C[C@H]5[C@H](O[C@@H]2[C@@H]53)[C@H]4O)cc1 238900241 IDOOXBNMGJXFAS-MISMKOALSA-N 257.333 1.783 0 50 CDAA FC1(F)[C@@H]2[C@H]3O[C@H]([C@H]2C1(F)F)[C@@H]1[C@H]3[C@H]2C=C[C@H]1O2 238899907 HGNFEDIMSWVEKW-AIPXLPRSSA-N 262.202 1.854 0 50 CDAA Nc1nc(CCCN2C[C@]3(CCOC3)CCC2=O)cs1 91547037 RPCAUNWHBROBDO-CQSZACIVSA-N 295.408 1.687 0 50 CDAA CCc1nnc(N2CCN(c3ccccn3)CC2)o1 91755606 XKFIPFPOSSQKQH-UHFFFAOYSA-N 259.313 1.354 0 50 CDAA O=C(c1ccc(-n2ccnc2)cc1)N1CCCC[C@@H]1CO 97711578 YSFNXHXOTHIPTL-OAHLLOKOSA-N 285.347 1.859 0 50 CDAA CCn1cncc1CN1CC(N2CCCC[C@H]2C)C1 244719183 LYKRMGXALITQMG-CYBMUJFWSA-N 262.401 1.962 0 50 CDAA CN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CCCN1[C@H]2c1ccc(F)cc1 248050603 QZZNCEYZNMCPSB-RFGFWPKPSA-N 288.322 1.576 0 50 CDAA CC(C)C[C@@H]1CCCCN1C(=O)NCc1ccc(=O)[nH]n1 297470025 DASITAQLTRHEIN-ZDUSSCGKSA-N 292.383 1.880 0 50 CDAA CN(CCN1CCCC1)C(=O)[C@H](O)C1CCCCC1 437856593 XJCVEZJZIUTSIW-CQSZACIVSA-N 268.401 1.482 0 50 CDAA CC(C)c1n[nH]c(=N[C@@H]2Cc3ccccc3NC2=O)o1 624630565 QBWOVCKFNBUMFV-LLVKDONJSA-N 272.308 1.590 0 50 CDAA CCc1nc(N[C@H]2CC(=O)N(C)C2=O)c2ccsc2n1 184276266 XCIPDDKRSBYPIZ-QMMMGPOBSA-N 290.348 1.423 0 50 CDAA CN(Cc1ccccc1F)C(=O)[C@@]1(F)CCNC1 299739923 SYRSZLNYSGEDSM-CYBMUJFWSA-N 254.280 1.486 0 50 CDAA Cc1cccc(-n2cc(CN3CC[C@@H]3C(=O)O)cn2)c1 252482645 DLPPJTDNPUTOOR-CQSZACIVSA-N 271.320 1.840 0 50 CDAA O=C(CN1C[C@@H]2CC[C@H]1C2)NCc1cccc(CO)c1 534663368 QCYXEHXHHCXZQB-HIFRSBDPSA-N 274.364 1.279 0 50 CDAA CC(C)c1cc(CN[C@H]2CCNC(=O)CC2)no1 534580410 HZFZUTFRLOGEIU-SNVBAGLBSA-N 251.330 1.556 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N2CCCCC2)CC[C@@H]1NC(C)=O 1940196949 HAXPXQGBCLNJJL-IHRRRGAJSA-N 282.384 1.319 0 50 CDAA O=C([C@H]1C=CCN1)N1CCC2(CC1)C(=O)Nc1ccccc12 299768135 JJDKUVZBDJVWPI-CQSZACIVSA-N 297.358 1.027 0 50 CDAA Cc1cnc(CNC(=O)Nc2cc(C3CC3)nn2C)cn1 299768857 KTFDHDKDRFKNCG-UHFFFAOYSA-N 286.339 1.718 0 50 CDAA Cc1ccc2oc(N3C[C@H](O)[C@@H](N(C)C)C3)nc2c1 292365565 PAOVCYZUKPZXBA-RYUDHWBXSA-N 261.325 1.247 0 50 CDAA CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](O)C2 823033099 MPGHZTPECJSXMK-LLVKDONJSA-N 277.368 1.379 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC[C@H](c2nc[nH]n2)C1 827927856 BDZBKUHDIQDNPJ-LBPRGKRZSA-N 288.355 1.257 0 50 CDAA CC(C)C[C@H]1CCN(C(=O)CCC2=NNC(=O)CC2)C1 584891055 NUSJHWKXHILGLV-GFCCVEGCSA-N 279.384 1.927 0 50 CDAA Cc1nc(CN)cc(N(C)CCN2CCCC[C@H]2C)n1 827452424 PPXSJYVSVCUIGN-GFCCVEGCSA-N 277.416 1.554 0 50 CDAA CCN1C[C@H](Nc2ncccc2-c2ncon2)[C@@H](OC)C1 824504704 FWKWSAKBSAHNOD-RYUDHWBXSA-N 289.339 1.263 0 50 CDAA NC(=O)C1CCN(CCCN[C@@H]2CCCSC2)CC1 584891751 HASTUJASJUFVHO-CYBMUJFWSA-N 285.457 1.059 0 50 CDAA Cc1nc(Cl)cc(N2CCN(CCCCCO)CC2)n1 585136378 CXCOPJUQBQQIPM-UHFFFAOYSA-N 298.818 1.723 0 50 CDAA O=C(c1cccc(-n2cnnc2)c1)N1CCC2(CCO2)CC1 584888205 BMJNOPDCFRFEMB-UHFFFAOYSA-N 298.346 1.662 0 50 CDAA O[C@H]1CN(c2nc3ccccc3o2)C[C@@H]1N1CCCC1 670459526 VOUQIMLBNBVVKX-STQMWFEESA-N 273.336 1.473 0 50 CDAA COCCn1cncc1CNC(=O)/C=C/c1ccccc1 670456185 YOIRCBXPVFOBPN-BQYQJAHWSA-N 285.347 1.859 0 50 CDAA C=C=CCNS(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 952993705 POEYMMWMTRFEFP-VXGBXAGGSA-N 257.355 1.205 0 50 CDAA C[S@](=O)c1cccc(NC(=O)NC2CC(C(=O)O)C2)c1 871656059 RPBZCJXOTNWOFL-XDLWHAHCSA-N 296.348 1.409 0 50 CDAA CCCN1CC[C@@H](NCc2c[nH]nc2-c2ccn(C)n2)C1 1875284439 ZNLNQJISXVEUEK-CYBMUJFWSA-N 288.399 1.384 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@@]1(C)OCCc2ccccc21 1875377170 UZVPPANSBUITMT-RCMYXZNBSA-N 288.391 1.709 0 50 CDAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)N1CCC1 1875398979 KUJKKCYLGZHIAH-MVWJERBFSA-N 298.774 1.091 0 50 CDAA COc1cc(F)c(CN2C[C@@H](O)[C@H](F)C2)cc1OC 952967808 MEIFCJJDJMOGDK-GHMZBOCLSA-N 273.279 1.358 0 50 CDAA CC(C)OCC(=O)Nc1cccc(NC(=O)CN(C)C)c1 952971034 WQXQCDIAOKOBHR-UHFFFAOYSA-N 293.367 1.550 0 50 CDAA CC(C)[C@@H](N)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 958528426 OPCBBJZQVXDNLK-ZWNOBZJWSA-N 258.362 1.342 0 50 CDAA CCc1noc(COC2CN([C@@H](C)c3ccccn3)C2)n1 886096588 FHISKVRXXOTXEU-NSHDSACASA-N 288.351 1.989 0 50 CDAA c1ccn2ncc(CN[C@H]3CCO[C@@H]3c3cc[nH]n3)c2c1 888077045 GCHDEVULUJGPRT-WFASDCNBSA-N 283.335 1.677 0 50 CDAA O=C1O[C@@H](C(=O)O)Cc2cc(C(F)(F)F)ccc21 1772717663 VLIMKGQVIOQONM-MRVPVSSYSA-N 260.167 1.872 0 50 CDAA Cc1nnsc1C(=O)Nc1cc(C(F)(F)F)n(C)n1 1775999472 NCVSHTAERDVSSR-UHFFFAOYSA-N 291.258 1.851 0 50 CDAA COc1ccc2c(=O)n(CCCO)ccc2c1OC 76732440 GULUOIWSCSOPHM-UHFFFAOYSA-N 263.293 1.401 0 50 CDAA CC(C)(C)OC(=O)NC[C@@H]1CCn2ncc(C(=O)O)c2C1 216659207 OIJDKNSIQVSUMS-SECBINFHSA-N 295.339 1.668 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21 218536346 JPEGEHMPPPBLAP-GMTAPVOTSA-N 261.277 1.347 0 50 CDAA CC(C)SCCN1CCC[C@H]1C(=O)N=S(C)(C)=O 408524404 UGLGXTDLPJDFRV-NSHDSACASA-N 292.470 1.847 0 50 CDAA O=C(NCCc1ccc2ncccc2c1)[C@]12CC[C@H]1CNC2 1580698913 BEIWGINYEDXDRN-YJBOKZPZSA-N 295.386 1.893 0 50 CDAA Cc1cc(NC(=O)CN2CCC[C@@]2(C)CCCO)no1 271191795 MMWVEEMZWNERAH-AWEZNQCLSA-N 281.356 1.549 0 50 CDAA C=CC(=O)NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 390834746 WACZDKPYOLRERK-WCBMZHEXSA-N 251.248 1.772 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)c1cn2ccccc2n1 276382717 UCWCNIZPMOBUIA-GFCCVEGCSA-N 295.346 1.523 0 50 CDAA O=C(Cc1ccc(Cl)cc1)NCCn1ccnn1 584908504 LKSMYAWQVURANQ-UHFFFAOYSA-N 264.716 1.290 0 50 CDAA CCCCS(=O)(=O)N1CC[C@@H](CNc2ncccn2)C1 585080319 IIKHRVHUCBQQTL-LBPRGKRZSA-N 298.412 1.340 0 50 CDAA CC(C)(CNC(=O)C(=O)O)c1ccc(F)cc1Cl 170596117 SOFCFDGXEPIXJR-UHFFFAOYSA-N 273.691 1.958 0 50 CDAA CCOCC(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 170605860 KBJLEMQYEJSWKP-JTQLQIEISA-N 296.333 1.802 0 50 CDAA COc1cccc([C@@H](C(=O)O)N(C)Cc2cnccn2)c1 634691918 QUYGYEURNDORPZ-AWEZNQCLSA-N 287.319 1.743 0 50 CDAA COC[C@@H](C)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 171453961 STSRBXYAJVVLJX-TZMCWYRMSA-N 290.363 1.359 0 50 CDAA Cc1nccnc1[C@H](C)NCCCN1CCC(O)CC1 187821090 KOUWCLJBQYOMFZ-LBPRGKRZSA-N 278.400 1.282 0 50 CDAA CC(C)CC[C@](C)(O)CNC(=O)c1cccc2nn[nH]c12 188236477 PXWNKDMZYNSICP-HNNXBMFYSA-N 290.367 1.875 0 50 CDAA C[C@@H](Cc1ccccc1F)C(=O)N1CCN[C@H](C)C1 188470970 SQUMBMYVZNCVAC-NWDGAFQWSA-N 264.344 1.825 0 50 CDAA COc1ccc(CC(C)(C)NC(=O)CN(C)C)cc1 188897346 WPRQKUDLARMAKI-UHFFFAOYSA-N 264.369 1.694 0 50 CDAA CCCc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(C)C)[nH]n1 188989161 HYCFIZDTLQZARA-ZDUSSCGKSA-N 292.383 1.349 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)C[C@@H]2C=CCC2)cn1 189995065 XPCWWSMKARCHFW-OSAQELSMSA-N 275.352 1.723 0 50 CDAA CNC(=O)C[C@]1(O)CCCN(c2ccncc2Cl)C1 643721297 WMCSZFUTRCWHEV-CYBMUJFWSA-N 283.759 1.202 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2ccncc2F)C1 643772635 LKSQYNZEZKPJDQ-YPMHNXCESA-N 276.315 1.906 0 50 CDAA Cn1cc(CC(=O)Nc2cnn(C(C)(C)C)c2)cn1 194840298 HZCKVAJDNJSETE-UHFFFAOYSA-N 261.329 1.553 0 50 CDAA C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCCF 195539362 OBEDVIDFJCQIIR-UPJWGTAASA-N 294.436 1.632 0 50 CDAA CS(=O)(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 195571802 ZDQCBIOALFIAHG-UHFFFAOYSA-N 294.298 1.936 0 50 CDAA CCC(CC)(CNC(=O)c1c(Cl)cnn1C)C(=O)O 571180842 PMWZKOOWLSVTTO-UHFFFAOYSA-N 287.747 1.694 0 50 CDAA CN(CC(=O)O)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 662221667 BFGXWFRXAMUYLX-ZFWWWQNUSA-N 278.352 1.075 0 50 CDAA C[C@]1(C(F)F)CN(Cc2nc(C(=O)O)cs2)CCO1 663315553 JNAWUICTOJUHIP-LLVKDONJSA-N 292.307 1.697 0 50 CDAA Cn1nc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1O 665627053 LAPCPFOKPVSXRI-GFCCVEGCSA-N 272.308 1.498 0 50 CDAA CN1CCN(CCCNC(=S)Nc2ccccc2)CC1 19830640 NPVBXQKPFZGBTP-UHFFFAOYSA-N 292.452 1.611 0 50 CDAA CC1=C(C(=O)NCc2noc(-c3ccco3)n2)OCCO1 1506400210 AZIBZLMURWLKOI-UHFFFAOYSA-N 291.263 1.224 0 50 CDAA Cc1cccc(C[C@H](C)Nc2cc(NCCO)ncn2)n1 1506404715 ABHWPWRHGCXGRG-LBPRGKRZSA-N 287.367 1.627 0 50 CDAA C[C@@](O)(CCCO)CNc1ncc(C(=O)O)cc1Cl 1506418336 QJXOLYRCSWSYFY-GFCCVEGCSA-N 288.731 1.369 0 50 CDAA O=C(NCCn1cnnn1)c1ccsc1C(F)F 934714633 PESUXBTZGLAPGO-UHFFFAOYSA-N 273.268 1.102 0 50 CDAA Cc1cc(O)c(COC(=O)CSC2CC2)nn1 1122844002 FZJZEMVSULDRAR-UHFFFAOYSA-N 254.311 1.429 0 50 CDAA O=C(Nc1cnns1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 333328653 CFRRKAWYNCOIKM-YIZRAAEISA-N 268.342 1.163 0 50 CDAA Cc1c(CC(=O)O)nnn1-c1cccc(Cl)c1 11730717 LVOHMNHHPAHXSG-UHFFFAOYSA-N 251.673 1.856 0 50 CDAA in-vitro CSCC(=O)N1C[C@@H](C(=O)O)c2ccccc21 133851231 OOOOULCZKNKBSO-SECBINFHSA-N 251.307 1.564 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)Nc1cnn(C)c1 1615551522 CLGOMTJVTCSWEY-HNNXBMFYSA-N 286.335 1.168 0 50 CDAA COc1cc(F)c(C(=O)NCCc2cn(C)cn2)c(F)c1 1615612695 KTKVEWVFPINFGD-UHFFFAOYSA-N 295.289 1.679 0 50 CDAA COc1ccc(Br)c2c1C(=O)N(C)[C@@H]2O 1772572618 NSIULABEMJNIHI-SECBINFHSA-N 272.098 1.534 0 50 CDAA CC(C)c1nccc(C(=O)N2CCC[C@@H](C3(O)CC3)C2)n1 1772805759 RXJCSTIFQIHOKC-GFCCVEGCSA-N 289.379 1.977 0 50 CDAA COCc1nnc(N[C@H](C)Cn2nc(C)cc2C)o1 1772706376 CCXCNNYBWWLWRD-SECBINFHSA-N 265.317 1.530 0 50 CDAA Cc1cccnc1C[C@H](C)Nc1nnc(CN(C)C)o1 1772711833 GFDWKSXMUIKEGZ-NSHDSACASA-N 275.356 1.878 0 50 CDAA CC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 12379372 XKDLCXGOTCRZOL-UHFFFAOYSA-N 272.348 1.834 0 50 CDAA COc1ccc(NC(=S)Nn2cnnc2)cc1OC 13519419 BMORBUZZEXIQOH-UHFFFAOYSA-N 279.325 1.236 0 50 CDAA CNCC[C@H]1CCC(=O)N1Cc1cc(OC)ccc1OC 14883134 HFOMXCVFKOCNKR-CYBMUJFWSA-N 292.379 1.804 0 50 CDAA COc1ccc(CN2CCN(C)CC2)c(OC)c1 19537098 FDWUACWVIJVFOF-UHFFFAOYSA-N 250.342 1.451 0 50 CDAA O=C(O)[C@H]1Cc2cc(F)ccc2N(Cc2cc[nH]n2)C1 1857531839 QNCZXPJGNHJPPH-JTQLQIEISA-N 275.283 1.812 0 50 CDAA CC(C)(C)OC(=O)N1CCc2[nH]cnc2[C@@H]1CO 307697672 GXHUHLDJHHELTD-VIFPVBQESA-N 253.302 1.236 0 50 CDAA in-vitro Cn1cc(O[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2O)cn1 625620258 IZGYEXIAZHDTDW-HUUCEWRRSA-N 291.326 1.183 0 50 CDAA NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]3CCC[C@H]32)C1 230191838 YOMYSWVJZVHCLU-RWMBFGLXSA-N 279.384 1.568 0 50 CDAA Cc1cccc([C@@H](C)C(=O)NCC(=O)N2CCOCC2)c1 330685502 UQKMPFZDWCLVCC-CYBMUJFWSA-N 290.363 1.074 0 50 CDAA C[C@@H]1CCN(Cc2cccc3c2CCOC3)[C@@H](C(N)=O)C1 639599689 VBVYYPWOOKGADI-MLGOLLRUSA-N 288.391 1.845 0 50 CDAA CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 238172234 NBGABIOSBPKNEQ-LBPRGKRZSA-N 290.310 1.769 0 50 CDAA in-vitro C[C@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C[C@H]1O 245316750 KMYGFUYCEMOLHZ-SMDDNHRTSA-N 287.363 1.136 0 50 CDAA CC[C@H]1CN(c2ccc3nnc(C(F)F)n3n2)CCO1 132354393 XTBSWNULDKIXPY-QMMMGPOBSA-N 283.282 1.677 0 50 CDAA Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)ccc1=O 248775063 RYZIHXFERYWBEY-DKKFBCOVSA-N 287.363 1.335 0 50 CDAA CS[C@@H](C)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 154144387 XDHYTWPPNKEFRQ-QWRGUYRKSA-N 282.413 1.257 0 50 CDAA NC(=O)C[C@H]1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 377183561 JBNQVSVQYQYEMT-QNWHQSFQSA-N 264.369 1.537 0 50 CDAA Cc1nn(-c2ccccc2)cc1N[C@@H]1CCN(C)C1=O 585081058 MLKXLXFGGGHYIF-CYBMUJFWSA-N 270.336 1.823 0 50 CDAA C[C@@H]1OC[C@H](NCc2nncn2-c2ccccc2)[C@H]1C 585117588 MBONKBOJZTUFAQ-OBJOEFQTSA-N 272.352 1.780 0 50 CDAA CCc1noc(COC2CN(C(=O)[C@@H]3CCC=CO3)C2)n1 818662657 CFOAMRXTYKKCKX-NSHDSACASA-N 293.323 1.052 0 50 CDAA CCn1nc(C)c(CNC[C@@H](C2CC2)N(C)C)n1 823676881 LCYQCYZTVANGGN-ZDUSSCGKSA-N 251.378 1.036 0 50 CDAA CC(C)OCc1noc(CN2[C@@H](C)C[C@H](O)C[C@H]2C)n1 1647451885 GRKVEDNBCIAALJ-ZSBIGDGJSA-N 283.372 1.728 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)C1CCC(F)(F)CC1 216257921 BOKMKCHQDOXWFK-SNVBAGLBSA-N 291.294 1.514 0 50 CDAA O=C(N[C@]1(C(=O)O)CCSC1)c1ccc2cc[nH]c2c1 111288198 XXFYLPNDLMCDKK-CQSZACIVSA-N 290.344 1.858 0 50 CDAA CN(C)CCCNC(=O)c1cc(O)c2ccccc2n1 5349862 VYMMNYJALCBXIT-UHFFFAOYSA-N 273.336 1.622 0 50 CDAA CO[C@H](C)CC(=O)N1CCC[C@@H](CCC(=O)O)C1 237179120 ONRLJNRDDFGSBG-MNOVXSKESA-N 257.330 1.515 0 50 CDAA C[C@H]1COC[C@H](C)N1C(=O)c1cccc(C(=O)O)c1 237636521 LVNHSFPREQHIKR-UWVGGRQHSA-N 263.293 1.634 0 50 CDAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)[C@H](C)C(=O)O 252457988 DRLIPOLBDQHMCK-PTRXPTGYSA-N 279.292 1.146 0 50 CDAA Cc1cccc(CN2CCN(CCOCCO)CC2)c1 23114732 AGDXHQNGMMMGAD-UHFFFAOYSA-N 278.396 1.122 0 50 CDAA COC(C)(C)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 262158059 PFRNMIKYDNDMOS-SECBINFHSA-N 255.314 1.125 0 50 CDAA NCC(F)(F)CNC(=O)[C@H]1CCOc2ccccc21 162565586 BMWOLLOUILSWGG-JTQLQIEISA-N 270.279 1.263 0 50 CDAA O=C(COc1ccc(F)cc1F)NC1(C(=O)O)CCC1 164807594 CMZPDHDABYQZBO-UHFFFAOYSA-N 285.246 1.467 0 50 CDAA CC[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cccs1 287564238 OUOUVKMPPMQHRC-BDAKNGLRSA-N 289.378 1.622 0 50 CDAA OC[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[C@@H]1O 335649230 MNJFBUJQXSXQHE-GWCFXTLKSA-N 257.280 1.140 0 50 CDAA c1cnn(Cc2noc([C@@]34CCCC[C@@H]3NCC4)n2)c1 904557921 LWGKCHDDFXLVRQ-SMDDNHRTSA-N 273.340 1.488 0 50 CDAA COc1nscc1CN(C)c1nccc(CO)n1 723230605 GQSXZYGCFHOBOP-UHFFFAOYSA-N 266.326 1.070 0 50 CDAA C[C@]1(C(=O)O)CCN(Cc2cccc3nsnc23)C1 828029293 XVSCRIRKIRNLLQ-ZDUSSCGKSA-N 277.349 1.988 0 50 CDAA CN(C(=O)c1cc[nH]n1)C1CC(C)(C)NC(C)(C)C1 54378 HQFIPRGGQKDGFG-UHFFFAOYSA-N 264.373 1.791 0 50 CDAA CC[C@]1(C)Cc2c(sc3nn[nH]c(=O)c23)CO1 8579346 AMBYPVREKFZHBJ-LLVKDONJSA-N 251.311 1.621 0 50 CDAA Cn1nc(-c2cccc(C(N)=O)c2)nc1C(F)(F)F 2100483423 SNVZWOPWOYKOCD-UHFFFAOYSA-N 270.214 1.600 0 50 CDAA Cc1noc(C)c1CN(C)Cc1ccn2ncnc2c1 1953124193 JUMYEVIGENIJQM-UHFFFAOYSA-N 271.324 1.966 0 50 CDAA Cc1cc(Br)cc(-c2c[nH]c(=O)[nH]c2=O)c1 334575 QGYQLDYPBMHCNK-UHFFFAOYSA-N 281.109 1.801 0 50 CDAA C[C@@H]1C(=O)N(c2ccc3c(ccn3C)c2)C(=O)N1C 2325777480 FZFDEGBZCHGYRC-SECBINFHSA-N 257.293 1.965 0 50 CDAA O=C1C[C@H](CC(=O)N[C@@H]2CC[C@H]3C[C@H]3CC2)CCCN1 2325781007 BFPBZMYQVMTNOE-MQYQWHSLSA-N 278.396 1.988 0 50 CDAA CC(C)c1nc([C@@H]2CN(Cc3cnccn3)CCO2)n[nH]1 2325790775 JJWPNLJDJICBGO-LBPRGKRZSA-N 288.355 1.292 0 50 CDAA CN(C)Cc1ccoc1C(=O)N1CCCC[C@H](CO)C1 2325795004 ZJAUXCSPTVSNQU-LBPRGKRZSA-N 280.368 1.576 0 50 CDAA CC[C@H](C)CC(=O)C(=O)NC1CCC(CO)(CO)CC1 2325813755 JFQBGXUPVLPKDP-NSHDSACASA-N 285.384 1.022 0 50 CDAA O=C(c1ccc2cncn2c1)N1CCC[C@@H]1c1ncno1 2325822785 PEDYFEUHPGCMLH-GFCCVEGCSA-N 283.291 1.695 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)[C@H]1C[C@@](C)(OC)C1(C)C 859750380 PQZWFBKGPSWOGA-XHDPSFHLSA-N 282.384 1.293 0 50 CDAA COc1cc(S(=O)(=O)n2cnc(C)c2)ccc1F 528400 YYFWDPVWQURBOU-UHFFFAOYSA-N 270.285 1.576 0 50 CDAA CC1=C[C@H](C)[C@@H](C(=O)OCCN(C)C)[C@H](C(=O)O)C1 537235 UWKFNPDBBIBDBH-QJPTWQEYSA-N 269.341 1.394 0 50 CDAA CN1C(=O)c2ccc(C(=O)Nc3ccccc3O)cc2C1=O 618460 ZSOSOMCSYQYMEY-UHFFFAOYSA-N 296.282 1.870 0 50 CDAA CCOCCOCCN1C(=O)c2ccccc2C1=O 2064273 OTJIHJQDHOGELS-UHFFFAOYSA-N 263.293 1.336 0 50 CDAA CCN(CC)C(=O)C(=O)Nc1ccc2c(c1)OCO2 2840680 IYVTXWSWYNLOCN-UHFFFAOYSA-N 264.281 1.222 0 50 CDAA COc1ccc(Cc2nnc(NS(C)(=O)=O)s2)cc1 3991886 KZZGACDYWJYWPH-UHFFFAOYSA-N 299.377 1.509 0 50 CDAA O=C(O)C[C@@H]1SC(Nc2cccc(O)c2)=NC1=O 4057343 OKKFFWWAXGDCPA-QMMMGPOBSA-N 266.278 1.277 0 50 CDAA COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)O)CC2 4904959 KRQQVLGHOQSFPK-SECBINFHSA-N 265.309 1.708 0 50 CDAA CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 4968913 CAZWDPXUMVRHNS-UHFFFAOYSA-N 282.365 1.284 0 50 CDAA COc1ccc(Cl)c2c1NC(=O)[C@H]2NC(C)=O 6662420 SHANJAFPJCMFEL-JTQLQIEISA-N 254.673 1.478 0 50 CDAA CCn1nnnc1NCc1ccc(OC)cc1OC 8340075 RGDBMGPNXQNTII-UHFFFAOYSA-N 263.301 1.322 0 50 CDAA COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1 8683632 QMUWGPALEWDVLD-GFCCVEGCSA-N 276.361 1.995 0 50 CDAA O[C@H]1CC[C@@H]2CC[C@@H](O)[C@]12CCC1OCCCO1 102263530 PWIBOKKYXYNKKE-CFKGFHPTSA-N 256.342 1.442 0 50 CDAA COc1cccc(CN2CCN(C)[C@H](CCO)C2)c1OC 106721249 PMHABCCNTFPQQH-CQSZACIVSA-N 294.395 1.202 0 50 CDAA O=C1Nc2ccc(F)cc2[C@H]1CC(=O)N1CCCO1 102611600 VHLSRLMHEMREIA-SNVBAGLBSA-N 264.256 1.415 0 50 CDAA Cc1nc(C)n(C[C@@H](C)C(=O)N2CCSCC2)n1 20539180 WRKDUWHVBIDTTL-SECBINFHSA-N 268.386 1.106 0 50 CDAA CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C2(C(=O)O)CC2)C1 118957583 TWEKWENMMJLTMW-GHMZBOCLSA-N 296.367 1.051 0 50 CDAA C[C@H](C(=O)N(C)CCc1ccccc1O)c1ccnn1C 421799394 DZSRERSBWVPPIQ-LBPRGKRZSA-N 287.363 1.930 0 50 CDAA CN(Cc1ccccc1)c1ncccc1CNC(=O)CO 67673607 YYFJXFGFCAIQMO-UHFFFAOYSA-N 285.347 1.327 0 50 CDAA Cc1cnc(C)c(N2CC[C@@]3(CN(C)C(=O)O3)C2)n1 72417789 CGRKVAJETTYEPY-CYBMUJFWSA-N 262.313 1.124 0 50 CDAA Cc1cc(N(C)CCC[C@@H]2CCCO2)nc(N)n1 32561086 PYBSAURLXYROQA-LLVKDONJSA-N 250.346 1.763 0 50 CDAA Cc1ccc(CC2(NC(=O)c3c[nH]c(=O)cn3)CC2)cc1 67724007 SKFXOOABGDBEGI-UHFFFAOYSA-N 283.331 1.583 0 50 CDAA COc1cc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)ccc1F 119413887 QLZQXFSIUOUACD-PWSUYJOCSA-N 294.326 1.608 0 50 CDAA COC(=O)CC1(NC(=O)c2cc(C)sn2)CCC1 435816979 GHVNUGMPPDFKJI-UHFFFAOYSA-N 268.338 1.667 0 50 CDAA Cc1nc(CC(C)C)c(C(=O)NS(C)(=O)=O)s1 119751690 IMKCRIXDNSKURQ-UHFFFAOYSA-N 276.383 1.339 0 50 CDAA C[C@H](CN(C)C(=O)c1cccc2c1CCC2)c1nnn[nH]1 124548430 GVANOYJQDDSFLW-SNVBAGLBSA-N 285.351 1.564 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCCC[C@H]1CO 252522921 BKLOTLDCXUZYBI-GXTWGEPZSA-N 279.384 1.626 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC(N)=O)C(C)C 424550767 YNKLGPQDNUQLNS-AAEUAGOBSA-N 270.373 1.160 0 50 CDAA CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C1=NCCS1)C2=O 170625820 DTHRYAKLRIUEIA-ISVAXAHUSA-N 266.366 1.901 0 50 CDAA CCc1nc(=N[C@@H]2CCO[C@H]2c2cnn(C)c2)s[nH]1 521395939 FYJXGRUSSQHSPD-KOLCDFICSA-N 279.369 1.198 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2cc(F)cc3cccnc23)C1 314329913 NZHKBQQDDUQXEM-LSDHHAIUSA-N 290.338 1.956 0 50 CDAA CN(Cc1nccn1C)[C@H]1CCN(C(C)(C)C)C1=O 425427564 YPYFKHXRHWBDNZ-NSHDSACASA-N 264.373 1.251 0 50 CDAA COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1 1530717 IUBSYMUCCVWXPE-AWEZNQCLSA-N 267.369 1.613 0 50 CDAA biogenic,fda Cc1ncsc1CN1CCC[C@H]1c1nc(C(N)=O)no1 328654980 XXEYOUGYZWWIED-QMMMGPOBSA-N 293.352 1.271 0 50 CDAA C[C@H](C(=O)N[C@@H]1CN(c2ccccc2)C1=O)C1CC1 360852809 QROYLYFJGVGLDH-GXFFZTMASA-N 258.321 1.564 0 50 CDAA CCOc1cc(C(=O)N2CCNC[C@@H]2C)ccc1C 126278758 FKZMBZBCJKJDGB-LBPRGKRZSA-N 262.353 1.828 0 50 CDAA COCc1noc(CN2CCC[C@@](CO)(C(C)C)C2)n1 339713448 XUFAHBSPFZZNHO-CQSZACIVSA-N 283.372 1.447 0 50 CDAA O=C(Cc1nc(-c2ccccn2)n[nH]1)NCc1ccccc1 32607241 OUMAZZCSAQZVRP-UHFFFAOYSA-N 293.330 1.726 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)CC[C@H]2CCCO2)cn1 262852467 XETFUJMTVOXRAK-LLVKDONJSA-N 295.339 1.601 0 50 CDAA CCCc1nnc(C(=O)N(C)Cc2n[nH]c3c2CCC3)o1 71752530 GNRCXJNILJPCQJ-UHFFFAOYSA-N 289.339 1.506 0 50 CDAA C[C@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)O 217931705 BIRQKAVBTGZGQL-JTQLQIEISA-N 291.347 1.922 0 50 CDAA biogenic Cc1ccc2cc(C(=O)Nc3nncn3C)ccc2n1 157193397 FMVCBUXVPRJTOZ-UHFFFAOYSA-N 267.292 1.924 0 50 CDAA NC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 72150161 SOGMGNDILFRCJM-OAHLLOKOSA-N 297.358 1.016 0 50 CDAA CCCNC(=S)NS(=O)(=O)c1ccc(Cl)cc1 71772754 WLTPOGQEXBALKW-UHFFFAOYSA-N 292.813 1.903 0 50 CDAA CC(C)(CNS(=O)(=O)[C@H]1CCOC1)C1=CCCC1 333221005 WPOBIOAHYYUQLE-LBPRGKRZSA-N 273.398 1.831 0 50 CDAA CN(C)CCCOc1ccc(CNC2=NCCCN2)cc1 242273791 YFYHFDIJQADESS-UHFFFAOYSA-N 290.411 1.456 0 50 CDAA C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)O)Oc1ccccc1F 262384129 IXKHWWLNKNHNMO-KXUCPTDWSA-N 281.283 1.430 0 50 CDAA NC(=O)NCC(=O)N1CCCC[C@@H]1CCc1ccccc1 77320789 PMBNOOKMPMITKJ-CQSZACIVSA-N 289.379 1.669 0 50 CDAA N=C(O)[C@]1(c2ccccc2)CCN([C@H]2CCOC2)C1 334024500 GGQXQKZZDQAEPU-DZGCQCFKSA-N 260.337 1.954 0 50 CDAA O=C(NC1(CO)CCCC1)c1cc2cccnc2[nH]1 334584676 HFZCSKXXMPTGGL-UHFFFAOYSA-N 259.309 1.598 0 50 CDAA Nc1cccc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)n1 215052029 FLYLVBXMWCZBGU-LLVKDONJSA-N 291.351 1.122 0 50 CDAA O=C(N1CC2(CCC2)[C@H]1C1CC1)[C@@]1(O)CCSC1 335681692 UUVYVVFLKGFQMI-BXUZGUMPSA-N 267.394 1.646 0 50 CDAA CC(C)=CCN1CCC[C@](O)(Cn2ccnn2)C1 285536122 POSJRHDULVDXGQ-CYBMUJFWSA-N 250.346 1.071 0 50 CDAA CC1(C)CN(C(=O)Cc2ccn(-c3ccccc3)n2)CCN1 336428505 FXFWRVLLPNTCHK-UHFFFAOYSA-N 298.390 1.625 0 50 CDAA NC(=O)C1(NC(=O)c2nc3ccccc3[nH]2)CCCC1 426513815 ZRYFJQQAPHVIQI-UHFFFAOYSA-N 272.308 1.091 0 50 CDAA Cn1cncc1CCNC(=O)c1ncoc1C(F)(F)F 613413954 QICWDXAMMAMLBW-UHFFFAOYSA-N 288.229 1.399 0 50 CDAA CN1C(=O)C[C@H](CNC(=O)c2cnco2)c2ccccc21 221270458 ORTQHARXKWRSLD-SNVBAGLBSA-N 285.303 1.555 0 50 CDAA NC(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@H]3C2)nc1 178377078 JNPZJHDWODNJAL-TXEJJXNPSA-N 273.336 1.443 0 50 CDAA O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccoc1 85532829 JJPUIIIPEJNVHB-LBPRGKRZSA-N 270.288 1.815 0 50 CDAA Nc1cnc(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)cn1 426477691 GYMQRGULPKKJTN-ZDUSSCGKSA-N 298.346 1.323 0 50 CDAA O=C([C@@H]1CCCO1)N1CCC(CCn2cccn2)CC1 82097875 FOKNQYMWJIUSMM-AWEZNQCLSA-N 277.368 1.691 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)CCN2CCCC2=O)c1 97527894 KVSASZWKYUVKCM-UHFFFAOYSA-N 289.379 1.669 0 50 CDAA COc1cccc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)c1 426372403 WWUWAJZAOMXFGT-GEEKYZPCSA-N 258.365 1.877 0 50 CDAA O=C(NC1Cc2ccccc2C1)[C@@H]1CC(=O)N(C2CC2)C1 91350710 KDSZLERBDQKOQL-CYBMUJFWSA-N 284.359 1.281 0 50 CDAA O=C(c1cncc(-c2cccc(F)c2)n1)N1CCOCC1 426489375 NUFNMJPURUXRDW-UHFFFAOYSA-N 287.294 1.755 0 50 CDAA c1cnc(-c2noc(CNc3nnc(C4CCC4)o3)n2)nc1 95357495 KNCMLLBAFJXLPG-UHFFFAOYSA-N 299.294 1.789 0 50 CDAA CCc1n[nH]c(C(=O)N2CCC[C@@H]2COC)c1C 97805573 HRHBTJXREJWMNF-SNVBAGLBSA-N 251.330 1.532 0 50 CDAA CNCCCNC(=O)[C@@H](c1ccccc1F)N(C)C 95356003 BJGRQKPLQWTFLN-CYBMUJFWSA-N 267.348 1.154 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C(C)C)[C@@H](N)C2)c(=O)n(C)c1C 91416546 FYHDQRWZWMNJSL-KGLIPLIRSA-N 291.395 1.057 0 50 CDAA O=C(CCc1ccccn1)N1CC[C@H](O)C12CCCC2 294199443 OOTAYFIUQYQOHR-AWEZNQCLSA-N 274.364 1.920 0 50 CDAA OCC1(O)CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95515140 JDRGLDALXPJYRG-CQSZACIVSA-N 291.391 1.447 0 50 CDAA CC1(C)[C@H](NC(=O)N2CC[C@]3(CCOC3)C2)[C@H]2CCO[C@H]21 247018854 HIKZTSXIBCRZLE-JXFSHQFZSA-N 294.395 1.622 0 50 CDAA C[C@@H](NCC1(C(N)=O)CCOCC1)c1cccc(F)c1F 183221950 PCCAHMCYFUOODS-SNVBAGLBSA-N 298.333 1.898 0 50 CDAA C[C@H](C(=O)NC1CCCC1)N1CC(c2ccccn2)C1 252486669 HOFZCWYWLGAXLQ-GFCCVEGCSA-N 273.380 1.928 0 50 CDAA N=c1[nH]cc(C(=O)NCC2CCN(CC3CC3)CC2)s1 534653011 DAYROLKPGAWEOP-UHFFFAOYSA-N 294.424 1.407 0 50 CDAA Cc1cccc([C@H](C)NC(=O)Cn2ccnc2C)n1 534634817 JYZPEQNLKSXGFB-NSHDSACASA-N 258.325 1.772 0 50 CDAA CCn1cc(C(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cn1 299771550 TZGVYSGWCWHQTL-VNHYZAJKSA-N 293.367 1.048 0 50 CDAA CCc1csc([C@@H](C)NC(=O)[C@H](C)NC(C)=O)n1 823542468 HAPVPNCFMZEYLZ-JGVFFNPUSA-N 269.370 1.407 0 50 CDAA Cc1cccnc1C[C@H](C)NS(=O)(=O)N1CCCC1 821870468 RGIGUAVNAAPFQC-LBPRGKRZSA-N 283.397 1.251 0 50 CDAA C[C@H](NC1Cc2ccccc2C1)c1nnc(N)s1 822280889 CBCKTFPQSDKBQP-QMMMGPOBSA-N 260.366 1.938 0 50 CDAA Cc1[nH]nc(CCC(=O)NCCc2cnn(C)c2)c1C 584891032 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O=C(O)c1cccc(CCNC(=O)[C@H]2CCCO2)c1 111403411 KUXCHAWBVFKVMT-GFCCVEGCSA-N 263.293 1.223 0 50 CDAA C[C@@H]1C(=O)N(CC(=O)N(C2CC2)[C@H](C)C2CC2)C(=O)[C@@H]1C 246371194 NWMIEQFGZAHUMM-OUAUKWLOSA-N 292.379 1.417 0 50 CDAA O=C(Cc1cncnc1)Nc1cccc(-n2cccn2)c1 225800682 MDQBERJSBGEXNW-UHFFFAOYSA-N 279.303 1.844 0 50 CDAA CCNC(=O)c1ccc(N2C[C@H](OC)C[C@H]2COC)nc1 343692507 UDGSXNHYQOFPPA-QWHCGFSZSA-N 293.367 1.071 0 50 CDAA Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ncnn32)cc1 20721398 PVTGZYHSWXPYNP-JTQLQIEISA-N 271.280 1.109 0 50 CDAA C[C@H](O)CN1CCN(C[C@@H](O)c2ccccc2F)C[C@H]1C 247245487 SSGNZJTYUPBOKE-DVOMOZLQSA-N 296.386 1.246 0 50 CDAA CN(c1nccn2cnnc12)C1CC(OC(C)(C)C)C1 420625693 LEKWZOKSDGGCRY-UHFFFAOYSA-N 275.356 1.907 0 50 CDAA COCCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O 347736942 LBOBDUAKIPSUJK-GZBFAFLISA-N 269.385 1.955 0 50 CDAA CCc1ncnc(N2CCC[C@H](CCC(N)=O)C2)c1F 301959827 HGVPPOJZFDZXSJ-SNVBAGLBSA-N 280.347 1.660 0 50 CDAA CCn1ccc(CN(C)C[C@H]2CCN(CCOC)C2)n1 1506403310 SXSBQZYENAOLLB-CQSZACIVSA-N 280.416 1.303 0 50 CDAA COCC1(C(=O)Nc2cnc3n2CCCC3)CCC1 67787218 GLEJIRKJYIQIBI-UHFFFAOYSA-N 263.341 1.975 0 50 CDAA c1ncn(-c2ccc(O[C@@]34CCCN(CC3)C4)cc2)n1 67540956 CSLXFVAEJMLMPN-HNNXBMFYSA-N 270.336 1.884 0 50 CDAA CC(=O)N(C)C1CCN(C[C@H](C)C(=O)OC(C)(C)C)CC1 252482792 DNXMXTQBDDVLDI-LBPRGKRZSA-N 298.427 1.907 0 50 CDAA C[C@H](Cn1cncn1)NCCN1CCc2ccccc21 65488034 MCZXHLWWWNNXPS-CYBMUJFWSA-N 271.368 1.319 0 50 CDAA c1cn(C[C@H]2CCCO2)c(-c2cc3n(n2)CCCNC3)n1 72423069 YVKVHCWNAYHFJP-CYBMUJFWSA-N 287.367 1.419 0 50 CDAA CNC[C@H]1CCN(C(=O)/C=C/c2ccccc2F)C1 328596246 YSRUGJMNCAEABS-NNNHXZLVSA-N 262.328 1.907 0 50 CDAA Cc1ccncc1C(=O)N1CC[C@@H](O)C12CCCC2 329468303 XHKXOQKDSHBFJS-CYBMUJFWSA-N 260.337 1.910 0 50 CDAA Cc1cc(C(=O)N2CC[C@]3(CN=C(O)C3)C2)ns1 329897633 LNFMQFXQQYPRBH-LBPRGKRZSA-N 265.338 1.644 0 50 CDAA NC(=O)[C@H](Cc1ccccc1)n1cnc2cnccc2c1=O 32540690 ZAXJEABLPYUWSP-AWEZNQCLSA-N 294.314 1.061 0 50 CDAA O=C1C[C@H](c2nc(C3CC3)no2)CN1c1cn[nH]c1 364019186 ILGLMTMZDQKQAX-QMMMGPOBSA-N 259.269 1.191 0 50 CDAA Cc1cccn2cc(CNC(=O)[C@H]3CCCO3)nc12 71435398 UDNCQKFWMONYLI-GFCCVEGCSA-N 259.309 1.438 0 50 CDAA Cc1csc(CCNC(=O)C2CCOCC2)n1 75716885 QMKSFMPMTBUBNQ-UHFFFAOYSA-N 254.355 1.537 0 50 CDAA CN1C(=O)C[C@@H](C(=O)NCc2cncn2C)c2ccccc21 368196362 RZAIFMNEHDBHTB-CYBMUJFWSA-N 298.346 1.187 0 50 CDAA O=C(Cn1cnnn1)N(Cc1ccsc1)c1ccccc1 156326992 HJLLUMXGXPMXKQ-UHFFFAOYSA-N 299.359 1.968 0 50 CDAA CCOC(=O)c1cnc(NCCn2ccnc2C)nc1C 315039784 ZMHAYWFIMSNWQC-UHFFFAOYSA-N 289.339 1.579 0 50 CDAA Nc1nc(CCCNC(=O)Cc2cccnc2)cs1 219404736 LCZPLIJOEMQOJD-UHFFFAOYSA-N 276.365 1.412 0 50 CDAA CCCNc1ncc(CN2CCC(C)(C(=O)O)CC2)cn1 215695053 NSUKMVQCNNKONY-UHFFFAOYSA-N 292.383 1.985 0 50 CDAA CN1CCN(c2cc(C3=CCCCC3)nc(N)n2)CC1 216160908 VMZUTCPRVGBZNW-UHFFFAOYSA-N 273.384 1.768 0 50 CDAA O=C(COCC(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 374559396 MJBVACHUOMBFIJ-BBBLOLIVSA-N 281.274 1.639 0 50 CDAA COc1ccccc1/C=C/C(=O)N1CCC[C@@H](N)C1 158066133 SFSGOQSQXXIKQZ-MMQHEFTJSA-N 260.337 1.658 0 50 CDAA Cc1nc(S)sc1CC(=O)N[C@H]1CCO[C@@H]1C 129790829 RIUWMMBSBKJFDJ-SFYZADRCSA-N 272.395 1.576 0 50 CDAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(C(N)=O)s1 336599012 RGRCPSNLDGHDJM-IUCAKERBSA-N 281.381 1.189 0 50 CDAA COCc1ncsc1C(=O)N[C@]1(C)CCOC1 285626630 NAFMIFWHNGBQFB-LLVKDONJSA-N 256.327 1.198 0 50 CDAA Cc1cc(C)nc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1 284623175 SAIYOKUWPADCRD-SQWLQELKSA-N 291.395 1.850 0 50 CDAA CN1CCO[C@@H]2CCN(c3ccncc3Cl)C[C@H]21 285130088 SANOBTUFOWEENW-CHWSQXEVSA-N 267.760 1.644 0 50 CDAA CCN(C[C@@H](C)O)C(=O)Cn1ccc2ccccc2c1=O 341386623 DBYJIGZSSDMBIA-GFCCVEGCSA-N 288.347 1.231 0 50 CDAA C[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N(C)C(=O)[C@@H]2C(=O)O 222377077 AKWUSLALNWSZRR-GTEUGTGKSA-N 275.304 1.688 0 50 CDAA CC(C)SCC(=O)NCc1nc(-c2ccccn2)no1 426563027 FBQRNZFNLZXUAD-UHFFFAOYSA-N 292.364 1.889 0 50 CDAA NC[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H]1c1ccccc1 381295098 KZHBSTWDZQNFBX-AGIUHOORSA-N 288.313 1.584 0 50 CDAA Cc1ccsc1-c1noc(CN2CCOCC2)n1 289913601 VHOQOTLZIQLAKK-UHFFFAOYSA-N 265.338 1.939 0 50 CDAA CCO[C@@H](C)C(=O)N1CC(Oc2ccccc2OC)C1 426496682 LQYRMIOPRXAGCG-NSHDSACASA-N 279.336 1.710 0 50 CDAA CCOC(=O)[C@@]1(CCN(CC)CC)CCCNC1=O 44125311 NABRMPNSFOSUKX-CQSZACIVSA-N 270.373 1.178 0 50 CDAA Cc1noc(C)c1CCCNC(=O)C[C@H]1CCOC1 426620276 RCEOSYXVJUVTLF-GFCCVEGCSA-N 266.341 1.767 0 50 CDAA CCCN(CCO)c1cc(N2CCC[C@H](C)C2)ncn1 292463207 KBDIEGBSSCSYRH-ZDUSSCGKSA-N 278.400 1.922 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)[C@@H]1COc2ccccc2C1 95510447 HBTVXQTXYKIEKM-LBPRGKRZSA-N 271.320 1.619 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 237263449 OAMNRNOCYVMOEF-MRXNPFEDSA-N 298.390 1.755 0 50 CDAA CC(C)=CC[C@@]1(CO)CCCN(CCS(C)(=O)=O)C1 91779140 MKNMDXXRTCJANC-AWEZNQCLSA-N 289.441 1.462 0 50 CDAA Cc1[nH]nc(CN2CCC[C@]3(CCNC3)C2)c1Cl 97532344 GKJVDHFCFQKPNB-CYBMUJFWSA-N 268.792 1.947 0 50 CDAA CCNc1ncc(C(=O)N2CCC3(CCCO3)CC2)cn1 91694156 XLVLWKSIUTZYOY-UHFFFAOYSA-N 290.367 1.694 0 50 CDAA Cn1ccnc1CN1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 92002104 XYHSTDKWUGGLJX-LSDHHAIUSA-N 274.412 1.726 0 50 CDAA COc1ccc(-c2cn(O)c3c([n+]2=O)CCC3)c(OC)c1 334157225 XGTFOUSGNGQEJT-UHFFFAOYSA-N 289.311 1.813 0 50 CDAA CC[C@H](C(=O)N1CCC(n2cnnc2)CC1)n1cccn1 91655951 NWUNJKKUZCAJES-CYBMUJFWSA-N 288.355 1.289 0 50 CDAA CCc1nc(N)nc(NC[C@H]2CCN(CCOC)C2)c1C 92045756 NRSWRQZEMAYPAE-GFCCVEGCSA-N 293.415 1.310 0 50 CDAA Cn1ccnc1[C@@H](O)C1CCN(CCc2cn[nH]c2)CC1 244774034 PMWKUIFSUMLLIX-AWEZNQCLSA-N 289.383 1.131 0 50 CDAA CNc1ccc(Br)cc1S(C)(=O)=O 242548233 LEOIGBUTQWWLKO-UHFFFAOYSA-N 264.144 1.894 0 50 CDAA CN(C(=O)C1CC1)c1ccc(NS(C)(=O)=O)cc1 242804963 FGBHQUCLYWMLCK-UHFFFAOYSA-N 268.338 1.431 0 50 CDAA COC(=O)CCn1c(=O)oc2cc(Cl)ccc21 342808157 MITUREVWIQMTHT-UHFFFAOYSA-N 255.657 1.811 0 50 CDAA CCC1CCN(c2ccc(C(=O)N(C)C)nn2)CC1 298213176 JFGRQBBUZMOCCL-UHFFFAOYSA-N 262.357 1.805 0 50 CDAA COc1nc(=NCC[C@@H]2CCCN(C)C2)[nH]cc1F 534673155 NDDPKARAEZXSAG-JTQLQIEISA-N 268.336 1.190 0 50 CDAA CSCC[C@H](C(=O)NCc1nc(C)no1)n1cccc1 263586967 AIQRUYGHNIQABJ-LLVKDONJSA-N 294.380 1.790 0 50 CDAA 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FNFLWLGGBOGJIW-MIZYBKAJSA-N 289.310 1.566 0 50 CDAA Cn1cnc2cc(C(=O)N[C@@H](CC3CC3)C(=O)O)ccc21 630156893 AAVIQARIQFIBLR-LBPRGKRZSA-N 287.319 1.556 0 50 CDAA COC(=O)[C@]1(C)COCCN1C(=O)OC(C)(C)C 95725459 NAPZVCIFIQJJOJ-LBPRGKRZSA-N 259.302 1.185 0 50 CDAA in-vitro C[C@@H]1C[C@@H](C)[C@H](C(=O)N=c2[nH][nH]c3cc(F)ccc23)O1 407965587 LUJNIZSSMOJUPR-DNSOKLHBSA-N 277.299 1.876 0 50 CDAA COc1nccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)n1 407986871 VTMCSQQNPHQAPI-IUCAKERBSA-N 250.302 1.890 0 50 CDAA COC1(C)CN(C(=O)N=c2[nH]nc(C(F)(F)F)s2)C1 408106217 RZQNCWQPUYVEET-UHFFFAOYSA-N 296.274 1.231 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)O)nn1C 306012446 XVOORVDEXOYYLT-GZMMTYOYSA-N 265.313 1.054 0 50 CDAA CNC(=O)c1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)nc1 276919701 RQHXKMPSIFKKJP-GXSJLCMTSA-N 277.324 1.195 0 50 CDAA O=C(NC1CCSCC1)[C@@H](O)c1ccccc1 170591188 AFTYJUZUJHVUGW-LBPRGKRZSA-N 251.351 1.732 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCCSC1 578048868 VOQRDHXFWQFINR-SRVKXCTJSA-N 267.398 1.735 0 50 CDAA COc1ccsc1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 189173037 DWDVLGFUSKQPNG-BDAKNGLRSA-N 291.394 1.006 0 50 CDAA CN(C)[C@@H]1CCN(C(=O)c2ccc3c(O)ncnc3c2)C1 639674494 ZHFMLZXRTQSEJP-LLVKDONJSA-N 286.335 1.112 0 50 CDAA O=C(Cn1ccc(C(F)(F)F)n1)N1Cc2cccnc2C1 673440052 KKSMCBWJCFHKJE-UHFFFAOYSA-N 296.252 1.839 0 50 CDAA CCN1CCC[C@H](NC(=O)c2cn3nccc3nc2C)C1 581468913 GYRPZMHRBOQUPU-LBPRGKRZSA-N 287.367 1.252 0 50 CDAA O=C(Nc1cnns1)c1cc2c([nH]c1=O)CCCC2 189601057 KAYOMAIMKSSVFT-UHFFFAOYSA-N 276.321 1.358 0 50 CDAA COC1(CC(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)CCC1 640870448 ZEGRJLWRORETEH-MJBXVCDLSA-N 296.411 1.050 0 50 CDAA CNC(C)(C)c1cn(C[C@H](O)C2CCCCC2)nn1 641221918 MADHRESUNUIJEW-LBPRGKRZSA-N 266.389 1.674 0 50 CDAA O=C(N[C@@H]1CCCS(=O)(=O)C1)OCC1CCCCC1 583651949 VVOVZKZNXOHWQW-GFCCVEGCSA-N 289.397 1.870 0 50 CDAA CCS[C@@H]1CCCCN(C(=O)CCCc2nn[nH]n2)C1 585131603 AJTPQBKBXNFEJH-LLVKDONJSA-N 297.428 1.657 0 50 CDAA CCN1C[C@H](Nc2ncnc3ccc(F)cc23)CC1=O 649455613 MDPNUYOIJJHQPD-SNVBAGLBSA-N 274.299 1.802 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](N)C2)nn1C(C)(C)C 195119488 DAJGOYDFOVMDNV-NSHDSACASA-N 264.373 1.510 0 50 CDAA Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)c1 195544569 BNIYWYFVJDFDOE-ZWNOBZJWSA-N 286.372 1.540 0 50 CDAA Cc1ccccc1CCNC(=O)Cn1cc2c(n1)CCOC2 664051357 OEIXMNITBKSEPF-UHFFFAOYSA-N 299.374 1.623 0 50 CDAA Cc1noc(C)c1CNC(=O)[C@@H]1CC2CCN1CC2 1857683350 VZCIIUPIXGALLN-ZDUSSCGKSA-N 263.341 1.392 0 50 CDAA CC(C)[C@H](CNc1cc2nncn2c(N)n1)N1CCCC1 1529168009 UAGMRNRODKYAGK-NSHDSACASA-N 289.387 1.239 0 50 CDAA CCN(C)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529172250 BDJQLLJTVVITLW-CABCVRRESA-N 290.363 1.372 0 50 CDAA O=C(c1ccccn1)[C@H]1CCCN(CCn2cnnc2)C1 1529162114 WFWRMUZWEAEZFK-ZDUSSCGKSA-N 285.351 1.268 0 50 CDAA CCN(CC)C(=O)Cn1c(=O)n(C)c2ccccc21 544970 STFHZBFLWBFZSF-UHFFFAOYSA-N 261.325 1.208 0 50 CDAA COC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 115040777 QNYNNMWDNBVMLO-UHFFFAOYSA-N 263.702 1.498 0 50 CDAA in-vitro CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)C(=O)O)c1 237587972 ZWJZJBRXSFUOJD-LURJTMIESA-N 284.699 1.501 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)CCc1cccs1 128226502 UUOHGENNSLVDNG-JTQLQIEISA-N 283.349 1.383 0 50 CDAA CCc1nocc1CNC1CCN(C(=O)C2CC2)CC1 339182166 TYHMFSJNEUENJE-UHFFFAOYSA-N 277.368 1.728 0 50 CDAA CC[C@@H](C(=O)O)N(CC)C(=O)[C@@H]1C[C@H]1[C@H]1CCCO1 1875334472 PCAUGXOGGVXCDS-WISYIIOYSA-N 269.341 1.513 0 50 CDAA Cc1cc(F)cc(C(=O)NCC2CCNCC2)c1 135216382 FYYFXTJDIATTKE-UHFFFAOYSA-N 250.317 1.864 0 50 CDAA Cc1ncc(CN(CC(=O)O)C(=O)CCCC(C)C)[nH]1 1772701888 NHQLMDBDRPHGPP-UHFFFAOYSA-N 281.356 1.958 0 50 CDAA Cc1cccn2ncc(C(=O)NC[C@H](C(C)C)N(C)C)c12 1772709416 JOGGQILXUAORSD-CQSZACIVSA-N 288.395 1.959 0 50 CDAA Cc1cc(CC(=O)NCc2[nH]nc3ncccc23)cc(C)n1 1772818180 OMPMMHCCICABKK-UHFFFAOYSA-N 295.346 1.829 0 50 CDAA Cc1nc(CN(C)C[C@H]2CCC(=O)N(C(C)C)C2)no1 1775980613 FGUQNBTYHBPZEI-GFCCVEGCSA-N 280.372 1.457 0 50 CDAA Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl 5178425 MEFQWPUMEMWTJP-UHFFFAOYSA-N 255.032 1.573 0 50 CDAA in-vitro Cc1cc(C(=O)N2CCCCC2)ccc1NS(C)(=O)=O 13677971 DXUITXIXTLIILP-UHFFFAOYSA-N 296.392 1.993 0 50 CDAA COc1cccc(OC/C=C/CN2CCOCC2)c1 16622452 RCUFCYJMALUWAO-NSCUHMNNSA-N 263.337 1.962 0 50 CDAA Fc1ccc(CN2CCNCC2)c(Br)c1 19279639 YXTYIHVLFQRLDJ-UHFFFAOYSA-N 273.149 1.993 0 50 CDAA COC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 19933741 FMTVVXNXZLDHAP-UHFFFAOYSA-N 297.376 1.789 0 50 CDAA O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccnnc1 154330502 ZULLURWCKFYBMG-UHFFFAOYSA-N 296.330 1.533 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1cc(C(C)C)[nH]n1 154875432 VWCGVFOCQGGDFM-VIFPVBQESA-N 271.386 1.377 0 50 CDAA CN1CC2(CCN(C(=O)[C@H]3CC34CCC4)CC2)OCC1=O 1857687724 BFACHQACOQBZDH-GFCCVEGCSA-N 292.379 1.026 0 50 CDAA CNC(=O)Cn1cc(-c2cc3ccccc3nc2OC)cn1 1875243815 YPQGJKHEMKNHMZ-UHFFFAOYSA-N 296.330 1.853 0 50 CDAA CC[C@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1OC 110684816 NIUBSHYKRXNZBG-LBPRGKRZSA-N 292.335 1.054 0 50 CDAA C[C@@H](NS(C)(=O)=O)c1nc(C2CCCCC2)no1 225428071 ZWYXLFBKTCJRBD-MRVPVSSYSA-N 273.358 1.728 0 50 CDAA COc1ccc(OC)c(CN2CCC(C(N)=O)CC2)c1 4700728 HFPZRCRPZMSHFH-UHFFFAOYSA-N 278.352 1.401 0 50 CDAA C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCOC2)C1=O 329047994 GILWGTFMKDDVSJ-NSHDSACASA-N 290.319 1.007 0 50 CDAA Cc1ccc(N2CCCC2=O)c(C(=O)N[C@H](C)C(=O)O)c1 237499689 WPSYFZAEOVCWIL-SNVBAGLBSA-N 290.319 1.325 0 50 CDAA O=C(NO[C@H]1CCCCO1)c1cnc(C2CC2)nc1O 900468609 XOMWFGCKDZANTE-JTQLQIEISA-N 279.296 1.248 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2cc(C(F)F)ncn2)C1 911735852 DTWGXZBJRRPBSZ-MRVPVSSYSA-N 270.283 1.238 0 50 CDAA C[C@](O)(CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)O 228215616 NSYUASSQRRJMFZ-RNSXUZJQSA-N 297.273 1.307 0 50 CDAA CCN1CCN(CC(=O)Nc2ccc(C)c(C)c2)CC1 20608825 JFVVGCVZFMGUEL-UHFFFAOYSA-N 275.396 1.879 0 50 CDAA O=C(NC[C@H]1CCN(C2CC2)C1)c1c(O)cccc1F 119383590 UOLFTHDFNCZECV-SNVBAGLBSA-N 278.327 1.745 0 50 CDAA C[C@@H](C(=O)O)N1C[C@H](c2ccsc2)O[C@H](C)C1 237525939 AAOVAIFKTCUOJY-WCABBAIRSA-N 255.339 1.983 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 237994113 LSHAXIBFMTVQGI-STQMWFEESA-N 277.320 1.666 0 50 CDAA CC1(C)CN(CC(=O)Nc2nccs2)CC(C)(C)O1 190539465 SYDIXSMFJJQSDZ-UHFFFAOYSA-N 283.397 1.971 0 50 CDAA Cc1ccccc1CCNC(=O)N1CC[C@@H](CN)C1 416875915 VCFSTSQADXQHMB-ZDUSSCGKSA-N 261.369 1.528 0 50 CDAA CCC(CC)CNC(=O)N(C)Cc1nnc(C)o1 426739004 GLIHUETTXCEKKE-UHFFFAOYSA-N 254.334 1.956 0 50 CDAA N[C@@H]1CCC[C@H]2CN(c3ncnc4[nH]ccc34)C[C@@H]12 643025324 GQNUMAFBBOMLFD-MVWJERBFSA-N 257.341 1.522 0 50 CDAA CCc1ccc(C(=O)C23CN4CN(CN(C4)C2)C3)cc1 95481282 BHWBHFOCUIYOJA-UHFFFAOYSA-N 271.364 1.237 0 50 CDAA NCc1nnc(N2CC[C@@H](C3CCCCC3)C2)o1 708826557 QSMAVFCNIRGTBX-LLVKDONJSA-N 250.346 1.935 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)on1 379271740 MNGGFSNQBGTINQ-CBAPKCEASA-N 277.246 1.477 0 50 CDAA Cc1ccsc1CN(C)C(=O)[C@@H](N)Cc1cnc[nH]1 952975456 RRWMBVRFXLOEPO-NSHDSACASA-N 278.381 1.308 0 50 CDAA CC(=O)N(C)c1ccc(CNC(=O)[C@@H]2CCCN2)cc1 877020532 WWKGWORGFAYTSI-AWEZNQCLSA-N 275.352 1.038 0 50 CDAA CC1(C)C[C@@H](NC(=O)c2ccsc2)CCS1(=O)=O 888398327 YNRJGMBEMBTVQM-JTQLQIEISA-N 287.406 1.834 0 50 CDAA C[C@H]1C[C@@H](c2noc(C3(C(N)=O)CC3)n2)C[C@@H](C)O1 2325765282 VLWMYHNIVZACCL-BRPSZJMVSA-N 265.313 1.258 0 50 CDAA N=C1NC(=O)[C@H](CC(=O)N[C@@H]2CC[C@H]3C[C@H]3CC2)S1 2325766619 HNOKOSVFZLGZJL-JLIMGVALSA-N 281.381 1.238 0 50 CDAA OC1(Cn2ccnn2)CCN(c2cc(Cl)ccn2)CC1 2325767383 RXDUKPQCIQFEIE-UHFFFAOYSA-N 293.758 1.358 0 50 CDAA CCn1ccc(CNC[C@@]23CCCN[C@H]2CCC3)n1 2325777624 PDWPSYHYLRPYRY-LSDHHAIUSA-N 262.401 1.915 0 50 CDAA O=C(NCc1cnc(-c2ccccc2)cn1)c1coc(O)n1 2325821621 BMWBLRKKLMJHLH-UHFFFAOYSA-N 296.286 1.767 0 50 CDAA COC(=O)c1cc(NC(=O)N2CCC(C)(C)CC2)nn1C 889067323 JIPIFZXLIWUBIO-UHFFFAOYSA-N 294.355 1.861 0 50 CDAA Nc1nc(-c2ccco2)nn1S(=O)(=O)c1ccccc1 350110 IVJVHVYJOHCEEO-UHFFFAOYSA-N 290.304 1.357 0 50 CDAA CC(C)C[C@@H](NC(=O)Cc1ccccc1)P(=O)(O)O 2497087 NNHBNNKXEXPODI-ZDUSSCGKSA-N 285.280 1.895 0 50 CDAA CC(C)N1CCC[C@]2(CCCN2Cc2ncc[nH]2)C1=O 2356149872 DFYJUDWUHYCLAO-OAHLLOKOSA-N 276.384 1.775 0 50 CDAA CCCc1nnc(N2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)s1 2356162040 VBHBEPBRIUOKLK-ZHPDPMBESA-N 295.408 1.467 0 50 CDAA CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1OC 2895456 STNSQJDAXHTMOZ-SECBINFHSA-N 250.298 1.548 0 50 CDAA CCS(=O)(=O)c1ccc2cc(C(=O)OC)[nH]c2c1 6658357 RDXFCGSZNCDKBE-UHFFFAOYSA-N 267.306 1.748 0 50 CDAA COCCn1c(CN(C)C(C)=O)nc2ccccc21 7425403 MTYCTXXDHKQZGW-UHFFFAOYSA-N 261.325 1.661 0 50 CDAA COc1ccc(Cl)c2c1NC(=O)[C@@H]2NC(C)=O 101403189 SHANJAFPJCMFEL-SNVBAGLBSA-N 254.673 1.478 0 50 CDAA CCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 8971320 YWYOOSJGOYSUIL-UHFFFAOYSA-N 275.333 1.885 0 50 CDAA COc1cc(NC[C@@H](C)Oc2cccnc2)ncn1 65528481 IGTPFRVQSFMTJO-SNVBAGLBSA-N 260.297 1.760 0 50 CDAA COC(=O)[C@H](CCSC)N1Cc2ncccc2C1=O 65454556 WRAKMMDZDLYTKM-NSHDSACASA-N 280.349 1.332 0 50 CDAA Cc1c(C(=O)N(C)C)cccc1N(C)S(C)(=O)=O 65364476 FTNBVQBNSCPZDT-UHFFFAOYSA-N 270.354 1.093 0 50 CDAA Cc1cc(C)n2c(-c3nc(C4CC4)n[nH]3)nnc2n1 65431473 SVEUPJRBRCBJLW-UHFFFAOYSA-N 255.285 1.404 0 50 CDAA Cc1nc(C(=O)NCCN2CCCC2)c(C)s1 178985868 JOPZRHJVKGTQNN-UHFFFAOYSA-N 253.371 1.586 0 50 CDAA CCOC(=O)C1(NC(=O)c2cnc(CC)nc2)CCC1 65418801 CYQOWDSWFNMTHJ-UHFFFAOYSA-N 277.324 1.255 0 50 CDAA Cc1ccccc1C[C@]1(C2CCNCC2)NC(=O)NC1=O 67756958 AXQQNEBOYBBPBQ-MRXNPFEDSA-N 287.363 1.115 0 50 CDAA O=S(=O)(N[C@H]1CCN2CCCC[C@@H]12)c1cccs1 229356998 CCXXLZHNYFRRIU-QWRGUYRKSA-N 286.422 1.653 0 50 CDAA O=C(COCC(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@H]12 153981729 MJBVACHUOMBFIJ-OPRDCNLKSA-N 281.274 1.639 0 50 CDAA CN1CC[C@@H]2OCCN(c3nc4cc(F)ccc4o3)[C@@H]2C1 328590771 ZCFCHTKOBYYADL-OCCSQVGLSA-N 291.326 1.876 0 50 CDAA CN1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCC(O)=N3)C2)C1 328593293 ZGEWERHKJTXKKU-CZUORRHYSA-N 293.411 1.830 0 50 CDAA CN1CCO[C@@H](CN(CC2CCOCC2)CC2CC2)C1 328656706 ZPBAQZNYSNHHKQ-MRXNPFEDSA-N 282.428 1.456 0 50 CDAA CC(C)Oc1nn(-c2cccc3c2OCC3)c(=O)o1 71777855 GRZNDGLRNJXIMT-UHFFFAOYSA-N 262.265 1.548 0 50 CDAA CC1(C)CN(c2cc(C3CC(N)C3)ncn2)CCO1 219259630 XFSKRVGTRQOOQJ-UHFFFAOYSA-N 262.357 1.297 0 50 CDAA CC(C)c1nnc([C@@H]2CN(c3ncc(F)cn3)CCO2)o1 330150040 MXVXETHDVKSNIR-JTQLQIEISA-N 293.302 1.700 0 50 CDAA CNC(=O)[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 154955726 AAJVPBCZYFWBIR-LLVKDONJSA-N 292.383 1.440 0 50 CDAA Cc1ccc(CCNC(=O)N2C[C@H](F)C[C@H]2CO)nc1 459203554 TWBRVNUQRQJNAR-YPMHNXCESA-N 281.331 1.047 0 50 CDAA CN1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C[C@H]2C1 218878883 ZYOFETBRKFRORK-XUWVNRHRSA-N 270.376 1.810 0 50 CDAA CCc1n[nH]c2c1CN(c1nc(C)nc3c1cnn3C)CC2 72146857 AJUDNJVVIGSMGP-UHFFFAOYSA-N 297.366 1.520 0 50 CDAA COCc1cc(N2CCC[C@H](CO)C2)n2nccc2n1 72453695 ZCEDAKWMLVBCNC-NSHDSACASA-N 276.340 1.084 0 50 CDAA Cn1nccc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 335017264 SMMFPUORYRVEGP-JSGCOSHPSA-N 289.310 1.507 0 50 CDAA Cc1n[nH]cc1CN1CCC[C@H](C(=O)Nc2ccccn2)C1 371394859 BAJHJPCVHSVAQN-ZDUSSCGKSA-N 299.378 1.964 0 50 CDAA Cc1n[nH]cc1CN1CCNC(=O)[C@@H]1c1ccccc1F 371804341 WRUZVWPCVZDEAV-AWEZNQCLSA-N 288.326 1.530 0 50 CDAA CCOc1cc(N2CC[C@H]3OCCC[C@@H]3C2)ncn1 127634866 PLMKDXHIQAKZKJ-VXGBXAGGSA-N 263.341 1.881 0 50 CDAA COC[C@@H](N)C(=O)Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1 262188860 LTGTTYSJVWNRHU-UKKRHICBSA-N 278.356 1.226 0 50 CDAA c1nc(N2CC[C@@H]([C@H]3CCOC3)C2)c2cc[nH]c2n1 372722897 BOJLTQKOYXWKBZ-MNOVXSKESA-N 258.325 1.821 0 50 CDAA Cc1ncc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c(C)n1 262903316 GKALWRRXSKFANI-GFCCVEGCSA-N 291.351 1.953 0 50 CDAA OC[C@@]1(O)CCCN(Cc2cc3c(cc2Cl)OCO3)C1 72407232 RYNNQDZKDFUYRO-CQSZACIVSA-N 299.754 1.388 0 50 CDAA O=C(c1ccc[nH]c1=O)N1CCC2(CCCO2)CC1 71749895 CVANYAMYSSDEMH-UHFFFAOYSA-N 262.309 1.160 0 50 CDAA COc1ccc([C@@H]2CCN(C(=O)[C@H](C)C(=O)O)C2)cc1 263559760 QOLLFQSEOPQFLG-CMPLNLGQSA-N 277.320 1.732 0 50 CDAA O=S1(=O)CC[C@H](Nc2nccc(C(F)(F)F)n2)C1 44711918 VZIWYAPELFQMCA-LURJTMIESA-N 281.259 1.094 0 50 CDAA CSCC[C@H](NC(=O)Cn1nc(C)c(C)c1C)C(=O)O 426504618 QIBGYNFTTFUZKZ-NSHDSACASA-N 299.396 1.131 0 50 CDAA Cc1nccc([C@H]2CCCN(c3ncnc4n[nH]cc34)C2)n1 613211762 ZGLRNXRGASVNGV-NSHDSACASA-N 295.350 1.835 0 50 CDAA CC(C)Oc1cc(-c2cccc3ccnn23)[nH]c(=N)n1 426606754 OPWUNTHDAXACSX-UHFFFAOYSA-N 269.308 1.991 0 50 CDAA c1coc(-c2ncc(CN3C[C@@H]4CCN[C@@H]4C3)cn2)c1 426487495 QOHLQGQJXOOHRN-QWHCGFSZSA-N 270.336 1.530 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)C(C)(C)N1CCCC1 426641537 NABRRZZFLZEHDN-GFCCVEGCSA-N 293.415 1.740 0 50 CDAA C[C@@H](C(=O)N1CC(Oc2ccccc2F)C1)n1ccnc1 426528112 VZFPATUWOGRHKG-NSHDSACASA-N 289.310 1.873 0 50 CDAA COC(=O)[C@@H](N)Cc1ccc(C(=O)OC(C)(C)C)cc1 514277675 IJXRCOXZKNNGBQ-LBPRGKRZSA-N 279.336 1.685 0 50 CDAA Cc1nccn1[C@H](C)c1nc(-c2cccnn2)no1 91757188 OZPWFCSMLFTBHN-MRVPVSSYSA-N 256.269 1.641 0 50 CDAA c1ncc(CCn2nc([C@H]3CCOC3)nc2C2CC2)[nH]1 97815148 FJJYEIWZECLGEI-NSHDSACASA-N 273.340 1.625 0 50 CDAA CC[C@H](C)[C@H](Nc1nnc(C2CCC2)o1)C(N)=O 95379614 SOUYMJBAZVBUDG-CBAPKCEASA-N 252.318 1.649 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)[C@H]2CCCCN2)C1(C)C 162660268 ZXOAFLJOGGXRMQ-UHIISALHSA-N 254.374 1.448 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 238900204 HYVCRTFVNMBICJ-RBJBARPLSA-N 283.283 1.696 0 50 CDAA CCCN1C[C@H](Nc2nnc(C(C)(C)C)o2)CC1=O 95391676 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1.720 0 50 CDAA CCOC(=O)[C@H]1C[C@@H]1CS(=O)(=O)N(C)[C@H](C)C1CC1 1857533407 JMWZVKXXRNZKPD-JLLWLGSASA-N 289.397 1.246 0 50 CDAA CN1CCCC[C@H]1CC(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800412416 ZECMNSWEAHUMMA-RFQIPJPRSA-N 266.385 1.090 0 50 CDAA COC[C@@]1(C)CN(Cc2ccsc2C(=O)O)CCO1 629378761 JKFHCGBGMLIRAU-CYBMUJFWSA-N 285.365 1.684 0 50 CDAA CC(=O)N1CCC(NC(=O)N2CCC[C@H]2C(F)F)CC1 349675047 KNYBCWPMNMVCMZ-NSHDSACASA-N 289.326 1.436 0 50 CDAA Cc1nsnc1C(=O)N[C@@H](CO)Cc1ccccc1 1775981308 JLJPVTWSQAFWQN-LLVKDONJSA-N 277.349 1.180 0 50 CDAA CCCn1nnnc1NCc1ccc(OC)cc1OC 5019426 VQPCZMULPAYNOR-UHFFFAOYSA-N 277.328 1.712 0 50 CDAA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCN1CCCCC1 19810523 SHZOHIJTDOCLRY-CHWSQXEVSA-N 296.798 1.990 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@@H](CN)C(F)(F)F)CC1 159832608 ZORBXJGFWLAHBD-VIFPVBQESA-N 297.321 1.429 0 50 CDAA O=C(CCc1ccc(O)nn1)N1CCc2ccccc2C1 1857686538 AOVOBUOSCFSPPB-UHFFFAOYSA-N 283.331 1.700 0 50 CDAA Cc1ccccc1[C@@H]1CN(C(=O)C2(C(=O)O)CC2)CCO1 118998419 VNVNUCOYXLPTRL-ZDUSSCGKSA-N 289.331 1.760 0 50 CDAA Cc1nnc(COC2CN(C[C@@H]3CCC=CO3)C2)o1 818269006 WHLKTLSFPFFCIO-NSHDSACASA-N 265.313 1.272 0 50 CDAA COc1ccnc(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 328629966 PIDAYRQRWQXMCP-ZFWWWQNUSA-N 299.378 1.985 0 50 CDAA Cc1cccc(C)c1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 122013533 JGEPDFOKQFVYDV-GFCCVEGCSA-N 272.348 1.797 0 50 CDAA CCCCn1c(=O)c2c(nc3oc(C)cn32)n(C)c1=O 6660876 UXSOJFSRMDTXNF-UHFFFAOYSA-N 276.296 1.049 0 50 CDAA CCc1nc(C)c(C(=O)Nc2cnn(CC(=O)O)c2)s1 647746069 YDDMFDCDTNTZCP-UHFFFAOYSA-N 294.336 1.547 0 50 CDAA CCc1nc(N)nc(N2C[C@H]3CCN(C)[C@H]3C2)c1C 248153456 UZNSJSFETMGECW-PWSUYJOCSA-N 261.373 1.070 0 50 CDAA O=C(CCc1cccc(F)c1F)NC[C@@H]1C[C@H](F)CN1 368648348 TTXQFTJXZZTOPW-QWRGUYRKSA-N 286.297 1.714 0 50 CDAA Cc1[nH]nc2ncc(NCc3c4c(nn3C)CCOC4)cc12 902067433 YZDDUTCOUHIHEV-UHFFFAOYSA-N 298.350 1.685 0 50 CDAA COc1ccc(CSc2nc(N)cc(=O)[nH]2)cc1 12420748 LNIDSBAQPOYYHJ-UHFFFAOYSA-N 263.322 1.653 0 50 CDAA Cc1nc(NC(=O)N[C@H](c2cnn(C)c2)C(C)C)nn1C 931526847 UPZMIMDYAGAMBV-NSHDSACASA-N 291.359 1.376 0 50 CDAA COC[C@@H](C)NC(=O)CN1CC[C@@H](c2ccccc2)C1 229203355 XGCLLRUKJOFHBA-UKRRQHHQSA-N 276.380 1.627 0 50 CDAA O=C(c1cncc(F)c1)N(C[C@@H]1CCCN1)C1CC1 328654657 XOVRJKIHVIKZEI-LBPRGKRZSA-N 263.316 1.577 0 50 CDAA CN1CCCC[C@@H]1C(=O)NC1(CC(=O)O)CCCCC1 426496893 KPVKIHCKLDHPAB-GFCCVEGCSA-N 282.384 1.765 0 50 CDAA c1cn(-c2ccc(CN3C[C@H]4CCN[C@H]4C3)cc2)cn1 253596247 OZSJQORVJMXZMN-ZBFHGGJFSA-N 268.364 1.666 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)N1CC=CCC1 1335703504 KXVADCTVWOZXFH-ZIAGYGMSSA-N 257.337 1.583 0 50 CDAA CC(C)c1nc(O)ccc1C(=O)N(C)CCc1ncon1 2100473699 SRHGKDGCHTVZBN-UHFFFAOYSA-N 290.323 1.608 0 50 CDAA Cc1cc(=NC(=O)N2CCOC[C@@H]2C)c(OC2CC2)c[nH]1 2325782114 ZGHIWUMKNVYMAV-NSHDSACASA-N 291.351 1.606 0 50 CDAA NC(=O)C[C@@H]1CN([C@H]2CCc3c(Cl)cccc32)C[C@H]1O 2325785751 MFQXFLXABAIRQX-BIGNPOOSSA-N 294.782 1.495 0 50 CDAA O=C(NC1(c2nn[nH]n2)CCCC1)c1cc2n(c1)CCC2 2325798867 GNBQPVCAACEZBE-UHFFFAOYSA-N 286.339 1.147 0 50 CDAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1cnn2ccsc12 2325800118 QKPGMIVCDWCDIC-WCBMZHEXSA-N 278.381 1.499 0 50 CDAA Cc1sc(Cl)nc1C(=O)N[C@H]1CCNC(=O)C1 2325802198 ORYBZSWYINSEER-LURJTMIESA-N 273.745 1.113 0 50 CDAA O=C(Nc1nnnn1C1CC1)[C@@H]1CCc2ccccc2C1 905846704 BILUVRZQEHWUFA-GFCCVEGCSA-N 283.335 1.752 0 50 CDAA CC(=O)c1cccc(OCC(=O)N2CCOCC2)c1 52768 LWIPOAGPSACISD-UHFFFAOYSA-N 263.293 1.127 0 50 CDAA CN1C(=O)N(C)[C@](O)(c2ccccc2)[C@@]1(O)c1ccccc1 186367 NXQPKFDLVDLKBZ-IRXDYDNUSA-N 298.342 1.674 0 50 CDAA Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1 1721693 RSYUFYQTACJFML-DZGCQCFKSA-N 274.272 1.841 0 50 CDAA endogenous,in-man Cn1cnc2nc(N3CCC(c4cc[nH]n4)CC3)ncc21 2356149912 YIQSCNWFYQWVAG-UHFFFAOYSA-N 283.339 1.470 0 50 CDAA O=C1NC[C@H]2CN(Cc3cccc(CC(F)(F)F)c3)C[C@@H]12 2356154231 NMLHHLBHHYCNTD-QWHCGFSZSA-N 298.308 1.969 0 50 CDAA c1cc2c(-c3nc(N4CCOCC4)n[nH]3)cc[nH]c-2n1 2356163122 YQHLDXNTVLQKSB-UHFFFAOYSA-N 270.296 1.136 0 50 CDAA C[C@@H](NC(=O)C(=O)NCCCCCO)c1ccccc1 2854025 FEDUIJOHFTYAPM-GFCCVEGCSA-N 278.352 1.143 0 50 CDAA CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)O)C(=O)O 4061910 OAASKAREXXLWCM-JTQLQIEISA-N 280.280 1.616 0 50 CDAA biogenic C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc3ccccc3c2=O)C1 6086690 QKWWNDBBTNSPGR-STQMWFEESA-N 299.374 1.901 0 50 CDAA CC(C)c1nccn1C[C@H](O)CN1C[C@H](C)O[C@H](C)C1 110694202 OQPUCFZDIPNVQJ-HZSPNIEDSA-N 281.400 1.477 0 50 CDAA O=C1[C@H](N2CCC[C@@H](O)C2)CCCN1c1cccc(F)c1 225251701 LRZVIDYPWCEKRY-HUUCEWRRSA-N 292.354 1.778 0 50 CDAA O=C1CN(c2ncc(Cl)cn2)[C@@H]2CCCC[C@@H]2N1 225354466 QZBCKYQVEOSEBW-VHSXEESVSA-N 266.732 1.377 0 50 CDAA Cc1ccccc1NC(=O)CC(=O)N(C)[C@H]1CCN(C)C1 55169102 JILSKNNOQVNINK-ZDUSSCGKSA-N 289.379 1.486 0 50 CDAA Cc1ccc(C(=O)NCC(C)C)cc1N(C)S(C)(=O)=O 65362349 QJTPKFLLFLMBIJ-UHFFFAOYSA-N 298.408 1.777 0 50 CDAA CCc1cnccc1-c1noc([C@]2(C)CCCNC2=O)n1 350231146 WTRFIEFDYGQZTJ-OAHLLOKOSA-N 286.335 1.862 0 50 CDAA NCC(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 120545454 YXJVKSCXAMXBOQ-VIFPVBQESA-N 289.162 1.932 0 50 CDAA Fc1ccc(-n2cccn2)c([C@H]2NCCc3[nH]cnc32)c1 65380459 ZCCCGBSNRXILJZ-CQSZACIVSA-N 283.310 1.970 0 50 CDAA Cc1ncc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)s1 328590597 SOUGRWDTYAEPDF-CMPLNLGQSA-N 272.414 1.699 0 50 CDAA NC(=O)c1noc([C@@H]2CCCN2Cc2cccs2)n1 328623217 BSWDIEBUZJIFCO-VIFPVBQESA-N 278.337 1.567 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)C1=COCCC1 328622848 ISHLTONJDZNTDB-GFCCVEGCSA-N 275.352 1.598 0 50 CDAA COc1ccc(-n2c([C@@H](C)OC)n[nH]c2=O)c(OC)c1 65528041 YARLZBMECCIIIT-MRVPVSSYSA-N 279.296 1.285 0 50 CDAA COC(=O)CCCN1C[C@H](O)C[C@H]1c1cccc(F)c1 281894680 QFRCSYHMLNCSRO-KGLIPLIRSA-N 281.327 1.887 0 50 CDAA CC[C@@H](NC(=O)c1cc(C2CC2)no1)[C@H](O)C(F)(F)F 281987422 PGTHELCZRMTZDW-XCBNKYQSSA-N 292.257 1.984 0 50 CDAA c1cc(N2CCOCC2)ncc1-c1noc(C2CC2)n1 329595900 VOSFGWSHTRHDIW-UHFFFAOYSA-N 272.308 1.846 0 50 CDAA COCCN(Cc1nccn1C)[C@H]1CC12CCNCC2 435680366 FYPKDJGVLAQTQS-ZDUSSCGKSA-N 278.400 1.011 0 50 CDAA Cc1cc(C(=O)N2CCNC[C@H]2C)nc2ccccc12 125155144 SECXCJMTDXCHOX-GFCCVEGCSA-N 269.348 1.977 0 50 CDAA C[C@H]1CNCCN1C(=O)c1cnc(-c2ccccc2)nc1 125890337 GGNVAYXOXGTIDX-LBPRGKRZSA-N 282.347 1.578 0 50 CDAA COc1ccc(F)c(C(=O)NCc2n[nH]c(C)n2)c1F 216302574 YPKUQANPIIJDHS-UHFFFAOYSA-N 282.250 1.330 0 50 CDAA Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H](C)N)c2)n1 154566753 XIVSQGUJHLNIEZ-SECBINFHSA-N 272.308 1.031 0 50 CDAA Cc1cc2cc(C(=O)N3CC[C@@](O)(CO)C3)ccc2o1 214989707 MWDDJDRVWDSVKK-HNNXBMFYSA-N 275.304 1.311 0 50 CDAA CCCCc1ccc(CN2C[C@H](N)C[C@H]2C(=O)NC)s1 77376380 AHEPTHWFGBLJKE-RISCZKNCSA-N 295.452 1.738 0 50 CDAA C[C@H](NC(=O)c1ncc[nH]1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 216451372 LMEPOKGOJHSTBN-YPSBDKLCSA-N 289.379 1.859 0 50 CDAA CCc1ncc(C(=O)N2CCC[C@@H](N(C)C)CC2)cn1 72153596 IOFRIBYHHIVQKC-CYBMUJFWSA-N 276.384 1.595 0 50 CDAA Cc1cccnc1C[C@H](C)NC(=O)c1ccn2nnnc2c1 71422354 DPGPCRZDZBECNH-NSHDSACASA-N 296.334 1.189 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)Nc1nc2ccc(Cl)cn2n1 157081083 OSDBRVCQCUIFNG-XCBNKYQSSA-N 280.715 1.746 0 50 CDAA COc1ccnc(NC(=O)C[C@@H]2CCCCO2)c1 129273301 WPQQOKCWDSOUAA-NSHDSACASA-N 250.298 1.988 0 50 CDAA CCc1nc(CN2C[C@H](CO)Oc3ccccc32)n[nH]1 372481228 JQFQYINPRDVKLY-SNVBAGLBSA-N 274.324 1.127 0 50 CDAA NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc(F)c1F 238056575 SHVZXYCFTWUJHM-WCBMZHEXSA-N 290.335 1.371 0 50 CDAA CC(=O)NCc1nc(Cc2ccccc2Cl)no1 32516059 MYCTYTQETKGNQO-UHFFFAOYSA-N 265.700 1.950 0 50 CDAA C[C@H](C(=O)NCCCc1ccco1)N1CCCC1=O 215533214 CVCQLVJAFXTCCW-LLVKDONJSA-N 264.325 1.339 0 50 CDAA C[C@@H](C(=O)N1CCCC[C@H]1C(=O)O)C(F)(F)F 262697359 YANZVLLMYZISCI-BQBZGAKWSA-N 253.220 1.651 0 50 CDAA Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2CC(=O)O)n1 262908364 JHFZDWSQRIUWPY-STQMWFEESA-N 293.367 1.917 0 50 CDAA CSCC[C@@H](CO)Nc1cc(C)nc2cc(C)nn12 72439087 QAEBQWUSPPHQTR-NSHDSACASA-N 280.397 1.872 0 50 CDAA c1cncc(N2CCN(C[C@@H]3CCCNC3)CC2)c1 77301855 LEBOALCMFFTLIR-CQSZACIVSA-N 260.385 1.203 0 50 CDAA CCc1cnc(CNC(=O)[C@H]2CCCCN2C(C)=O)s1 286161866 PXLBDYYLDIKXTF-GFCCVEGCSA-N 295.408 1.723 0 50 CDAA CCOC(C)(C)C(=O)N[C@H](CC)Cn1ccnc1 223234152 JYVKOACZSUQSMS-LLVKDONJSA-N 253.346 1.593 0 50 CDAA CCN1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C)C1 227158515 MJCIFVPKLJUACW-STQMWFEESA-N 269.389 1.291 0 50 CDAA Cc1[nH]c(C(=O)NC2(C(=O)O)CCCC2)c(C)c1C(=O)O 426691161 HQTJUHOUJWXJPF-UHFFFAOYSA-N 294.307 1.457 0 50 CDAA CCn1cnnc1CCNC(=O)c1ccn(C(C)C)n1 426488356 OCMNCQJGNDBXHR-UHFFFAOYSA-N 276.344 1.048 0 50 CDAA OCCO[C@H]1CCCN(CCc2ccc(F)c(F)c2)C1 177956627 NHESWGWOIPXPTG-ZDUSSCGKSA-N 285.334 1.981 0 50 CDAA COc1cccc(C(=O)NCCCN(C)CCN(C)C)c1 290128140 MTSOLRBSVVUHEY-UHFFFAOYSA-N 293.411 1.309 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)C2CC2)CC1 229977310 UCPNPUGMFHCWMN-NSHDSACASA-N 284.356 1.402 0 50 CDAA COc1cc(CNC(=O)C[C@@H]2CCOC2)cc(OC)c1 426368230 GXBKVVFIRXPWQS-NSHDSACASA-N 279.336 1.747 0 50 CDAA O=C1C[C@@H](C(=O)NCCc2cc[nH]n2)c2ccccc2N1 426699904 JBBVJLGXLVJQDD-GFCCVEGCSA-N 284.319 1.194 0 50 CDAA CCN(Cc1nc2ccccc2[nH]1)[C@H]1COC[C@@H]1O 97805590 UFWNVYSXLSLLGO-STQMWFEESA-N 261.325 1.145 0 50 CDAA CN(C)c1ccnc(C(=O)N2CC[C@H](O)C23CCCC3)c1 294080191 ICZBJKUAUWPZIB-AWEZNQCLSA-N 289.379 1.667 0 50 CDAA COCCN1C[C@@H](c2nc(C(C)C)no2)CCC1=O 92020037 RGGRLAUGNITWGT-JTQLQIEISA-N 267.329 1.545 0 50 CDAA C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@@]1(O)C1CC1 91907910 KBTUTMSINMHJCD-WBMJQRKESA-N 274.364 1.634 0 50 CDAA CCc1cnc(N)nc1N1CCN(c2cccc(O)c2)CC1 91452628 LUPXOTQCGDATKH-UHFFFAOYSA-N 299.378 1.653 0 50 CDAA c1ccc(C[C@@H]2CN(c3ccc4nncn4n3)CCO2)cc1 294931290 JBFNBLPOTWJCCJ-CQSZACIVSA-N 295.346 1.572 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)COC[C@H]1CCCO1 244707842 KINZTTOLDSZYCR-CYBMUJFWSA-N 295.383 1.271 0 50 CDAA CC[C@H](C)S(=O)(=O)NC(=O)[C@@H]1CC1(Cl)Cl 181969244 OFRWJWBXWYFFMB-WDSKDSINSA-N 274.169 1.425 0 50 CDAA O=C(N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cn[nH]c1 252551048 TWALFRDBLWXZFW-QEJZJMRPSA-N 285.347 1.522 0 50 CDAA Cc1nc(CN(C)C(=O)c2ccc3[nH]cnc3c2)no1 183319833 WXBYPIZHOARQQV-UHFFFAOYSA-N 271.280 1.527 0 50 CDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 299752565 UPGKPVKNKFDIFR-CXTNEJHOSA-N 295.379 1.905 0 50 CDAA O=C(O)c1c[nH]c2c(C(=O)O)csc2c1=NC1CC1 605706479 PJSDUSOJALAJRY-UHFFFAOYSA-N 278.289 1.689 0 50 CDAA CN1CCN(C2(CNc3cnccn3)CCCC2)CC1 534653757 AXUMCXPVYDZGNF-UHFFFAOYSA-N 275.400 1.449 0 50 CDAA COC(=O)[C@]1(C)CCN([C@H]2Cc3ccccc3[C@@H]2O)C1 271989881 PQPPUBZEKKLWJE-OFQRWUPVSA-N 275.348 1.530 0 50 CDAA CC(C)c1nc(O)ccc1C(=O)N[C@H]1CC[C@H](O)CC1 1940198275 AAJNCWSBWDLFQA-XYPYZODXSA-N 278.352 1.944 0 50 CDAA CC[C@H](NC(=O)Cn1cc(Cl)c(C)n1)c1nc(C)no1 299766469 OKIGSMIJHFMUIU-JTQLQIEISA-N 297.746 1.804 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccncc1Cl 299768154 JRTWTJCSBYMKMQ-STQMWFEESA-N 297.786 1.572 0 50 CDAA Nc1ncccc1CNc1cc([C@H]2CCOC2)ncn1 299782826 YQRIUYGCPRKSMC-NSHDSACASA-N 271.324 1.570 0 50 CDAA COc1c(C)cnc(Cn2nnc(CO)c2C)c1C 725263836 OQSCSTGRNWCVRJ-UHFFFAOYSA-N 262.313 1.148 0 50 CDAA COCC(=O)Nc1ccccc1OC[C@@H]1CCCO1 824313108 MLNHNJMZNPVCLH-NSHDSACASA-N 265.309 1.829 0 50 CDAA COc1cccc2ncn(C[C@@H]3CCCOC3)c(=O)c12 584903767 KRVNEWQWTCKTJX-NSHDSACASA-N 274.320 1.832 0 50 CDAA O=C(CCc1cn[nH]c1)N[C@@H](CO)c1ccc(F)cc1 584895557 UZTDEYPPSBONNE-ZDUSSCGKSA-N 277.299 1.331 0 50 CDAA O=C(c1ccc(-c2ccccc2CO)cc1)N1CCNCC1 629741373 WQFKESDYPUCZEL-UHFFFAOYSA-N 296.370 1.891 0 50 CDAA CCCCC[C@@H](O)/C=C/[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12 583652939 HWJOPRRQCMFHNY-KVPZUBJNSA-N 268.353 1.796 0 50 CDAA CC[C@@H](NC(=O)CCCN1CCOCC1)c1cnn(C)c1 584884478 CHAVJZJFDLGOPB-CQSZACIVSA-N 294.399 1.100 0 50 CDAA CN1C[C@H](CN(C)c2ncc(Cl)cn2)CC1=O 670441021 FTJJEZXUZAWGNF-MRVPVSSYSA-N 254.721 1.045 0 50 CDAA C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CCC1OCCO1)C2=O 163751833 XJOHOBZNQGALRW-QWRGUYRKSA-N 296.367 1.496 0 50 CDAA C[C@H](CO)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C 268867045 UFDCPYMFQYUWPT-IIAWOOMASA-N 262.397 1.867 0 50 CDAA O=S(=O)(CC[C@@H]1CCCO1)N1C[C@@H]2CC=CC[C@H]2C1 685939623 ARXIRKBMFUDLKE-IHRRRGAJSA-N 285.409 1.783 0 50 CDAA CN(C(=O)CCc1cnn[nH]1)[C@H]1CCc2ccccc2C1 865881885 OGAVOONHFAHEIG-HNNXBMFYSA-N 284.363 1.753 0 50 CDAA NC[C@@H]1CCN[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 757216239 ZISZUACPNHCOLW-VPOLOUISSA-N 265.323 1.244 0 50 CDAA CCc1cc(=NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)cc[nH]1 952889814 HDWHHHDVRYVQRD-GWCFXTLKSA-N 273.340 1.374 0 50 CDAA c1cn(-c2ccc(OC[C@H]3C[N@@]3C3CCC3)cc2)nn1 1875380408 NXKQEJFXFZDWIW-KDOFPFPSSA-N 270.336 1.883 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H](c1nccn1C)C1CC1 1875367148 PNEWLEXJHTUWGS-AWEZNQCLSA-N 290.367 1.022 0 50 CDAA CCN1CCN(CC(=O)NC2(C3CCCC3)CC2)CC1 952985676 CQGVATWJDOEEIY-UHFFFAOYSA-N 279.428 1.463 0 50 CDAA O=C(Nc1ccc2scnc2c1)[C@@H]1NCCc2nc[nH]c21 952987674 MMCBKFQEIRIRQR-CYBMUJFWSA-N 299.359 1.845 0 50 CDAA Cc1nc(CN(C(=O)c2nccn2C)C(C)C)no1 952980722 XOXFURSBJSZPQH-UHFFFAOYSA-N 263.301 1.162 0 50 CDAA Cc1cccc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)n1 1076082191 DMLFFAKWJBTYFA-CABCVRRESA-N 285.351 1.327 0 50 CDAA CCCO[C@@H]1CCCN(Cc2c(CO)cnc(C)c2O)C1 952860332 MKVZBHMHZBFOLA-CQSZACIVSA-N 294.395 1.979 0 50 CDAA COc1cnc([C@H]2CCCN2C(=O)C2CSC2)nc1O 889785297 DJIMPUMETGJUQZ-SECBINFHSA-N 295.364 1.217 0 50 CDAA C[C@]1(C2CC2)COCCN1C(=O)Cc1cncc(O)c1 890587720 CPCMRSPEEYPHHX-OAHLLOKOSA-N 276.336 1.357 0 50 CDAA Cn1nccc1[C@H]1CCCN(c2cc(N)ncn2)C1 1337741999 SRTIJMFZOJUWKK-JTQLQIEISA-N 258.329 1.176 0 50 CDAA Cc1nnc(CNc2cnc(N)c(Cl)n2)n1C1CC1 893101964 HPXAVYHNQRQTCH-UHFFFAOYSA-N 279.735 1.559 0 50 CDAA COCc1ccc(C(=O)N2C[C@H](N)C3(CCC3)C2)cc1F 1775962501 OVVNVSNDASGYMZ-AWEZNQCLSA-N 292.354 1.926 0 50 CDAA C[C@@H](C(=O)NCc1ccc(CC(=O)O)cc1)n1cccn1 630234059 KNHOKGYXVGIUBR-NSHDSACASA-N 287.319 1.388 0 50 CDAA Cn1nncc1CC(=O)N1CCC[C@@H](Cc2ccccc2)C1 668366219 FUDHHSHZRHPWCP-HNNXBMFYSA-N 298.390 1.839 0 50 CDAA C[C@H]1CC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)CC1 272819190 OLXKKVSAAKKILM-MGCOHNPYSA-N 274.324 1.331 0 50 CDAA CC(C)[C@@H]1CN([C@H](C(=O)O)c2cccnc2)CCCO1 578380610 DLYXHSHKUYXGQD-KBPBESRZSA-N 278.352 1.954 0 50 CDAA Nc1c(Cl)ncn2c(OCCOCC(F)F)nnc12 408525237 QJXWCJFNXXZKMD-UHFFFAOYSA-N 293.661 1.020 0 50 CDAA Cc1ccc(-n2[nH]c(C(=O)N(C)C(C)C)cc2=O)cc1 170024687 VJIGLFFPGUKEAC-UHFFFAOYSA-N 273.336 1.954 0 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330530805 NBYRRVCNQHLRMH-CYBMUJFWSA-N 296.415 1.622 0 50 CDAA CC(C)N1CCN(c2ncc(Cl)s2)CC1=O 680897423 VNYUAAPZXUVDOP-UHFFFAOYSA-N 259.762 1.854 0 50 CDAA CN(CC[C@H]1COCCO1)Cc1n[nH]c2c1CCCCC2 1775981898 KDFPSDKLWXTPAL-ZDUSSCGKSA-N 293.411 1.916 0 50 CDAA CN(C)c1nc(N2Cc3ccccc3[C@@H](O)C2)ncc1F 1772700219 HQHHNRLNPDBEIY-ZDUSSCGKSA-N 288.326 1.735 0 50 CDAA CCOC(=O)N1CC[C@@H](NCc2conc2CC)C1 495795325 XYHHKLPOMMHHTH-LLVKDONJSA-N 267.329 1.557 0 50 CDAA C[C@H](Sc1n[nH]c(N)n1)C(=O)OCc1ccccc1 5961526 PMCFHBRXWPPZBT-QMMMGPOBSA-N 278.337 1.611 0 50 CDAA CSCC(=O)N1CCC[C@H](CCC(=O)N2CCCC2)C1 12708473 KHYSYMITGWSNAM-CYBMUJFWSA-N 298.452 1.991 0 50 CDAA CN(C)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O 15080662 OCAFCNQTJJNZIJ-INIZCTEOSA-N 276.380 1.144 0 50 CDAA Cn1ccnc1SCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2 19147646 MQOCUBCLUMDWPX-GRYCIOLGSA-N 277.393 1.841 0 50 CDAA Cn1cncc1C(=O)NC1CCN(c2ccccc2)CC1 19939933 FYQIHJOSYWGMBW-UHFFFAOYSA-N 284.363 1.819 0 50 CDAA CCC[C@H]1COC[C@H]2CN(CCCn3cccn3)CCN12 1857718280 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C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@@H](C(=O)O)C1 246744150 HEABMFCENZEENJ-BREBYQMCSA-N 275.304 1.484 0 50 CDAA Cc1cc(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)no1 579133318 KOCDSTPBIKMWIB-RNCFNFMXSA-N 278.283 1.974 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1csnn1 267453623 PZSMRXDFZOEQCY-PSASIEDQSA-N 255.343 1.329 0 50 CDAA NS(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 6333016 AEMVHIBPHFUYND-UHFFFAOYSA-N 268.338 1.463 0 50 CDAA Cc1c(N[C@H](C)c2cn(C)nn2)cnn1C1CCOCC1 903002843 KBRWTILKMHRODF-SNVBAGLBSA-N 290.371 1.845 0 50 CDAA Cc1ccccc1[C@H](C)C(=O)Nc1cn(C)nc1C(N)=O 905945974 UWQAYLBLFCRIOW-JTQLQIEISA-N 286.335 1.570 0 50 CDAA Cc1nonc1CNC1(C(=O)O)CCCCCC1 846227461 ROWLAGNFZIRIEL-UHFFFAOYSA-N 253.302 1.645 0 50 CDAA Cc1ccc2c(C(=O)N[C@@H](CO)C(N)=O)c(C)ccc2c1 935925992 JKVMTNXUHHFMQC-ZDUSSCGKSA-N 286.331 1.033 0 50 CDAA CC1(C)[C@]2(C(=O)NO[C@@H]3CCCCO3)CC[C@@]1(C)C(=O)O2 858987024 MXTACUAVUGUQOZ-WKPIXPDZSA-N 297.351 1.683 0 50 CDAA CNCc1nnc(N[C@@H]2CCc3ccccc3C2)o1 234411661 NTTQOXLNKMYUJG-GFCCVEGCSA-N 258.325 1.758 0 50 CDAA CN(C)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3N2)C1 155720855 WBIKRPMBRXPGNB-GXTWGEPZSA-N 259.353 1.186 0 50 CDAA COC[C@]1(CNc2ccccc2S(C)(=O)=O)CCCN1 261870554 YZMLJIHCCDKPGI-CQSZACIVSA-N 298.408 1.271 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2CCC[C@H](CCC(=O)O)C2)CCO1 262922972 IVNCLHSPEGZRHN-JHJVBQTASA-N 283.368 1.905 0 50 CDAA O=C(N[C@@H](CO)C1CCCC1)c1ncoc1C1CC1 294629601 IZTHTVCQRYUVHU-NSHDSACASA-N 264.325 1.833 0 50 CDAA Cc1ccc(C(=O)N(CC(=O)O)CC(C)(C)C)cn1 659784833 PHQHAKXJDYPNST-UHFFFAOYSA-N 264.325 1.963 0 50 CDAA C[C@H](NC(=O)[C@@H]1CCCCN1C)C(=O)OC(C)(C)C 602096612 MUROSCYKLATNTB-QWRGUYRKSA-N 270.373 1.317 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H](C)n1cccn1 426396393 IMKAKTFYLDHJFM-LBPRGKRZSA-N 275.356 1.533 0 50 CDAA CC(C)CN(CC(=O)O)C(=O)[C@]1(C)CCCCO1 426533687 CSMVLEVNMGCTOB-ZDUSSCGKSA-N 257.330 1.515 0 50 CDAA CN(CCS(N)(=O)=O)C(=O)c1cscc1C(F)F 717258092 XYRGXSCSVOFNHR-UHFFFAOYSA-N 298.336 1.046 0 50 CDAA c1ccc2c(c1)CCc1nnc(CN3CCCC3)n1-2 2100539270 ANMLIOSFIJYKAS-UHFFFAOYSA-N 254.337 1.962 0 50 CDAA CC1(CNC(=O)c2[nH]nc3ccccc23)CCNCC1 129029050 LYPRSUZJLWWPAK-UHFFFAOYSA-N 272.352 1.682 0 50 CDAA CCN(CC)S(=O)(=O)c1cc(C(N)=O)ccc1C 215297 FQHNTMHMJISPDM-UHFFFAOYSA-N 270.354 1.124 0 50 CDAA Nc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1N 262670 AMDAURBQWZUPOH-UHFFFAOYSA-N 270.288 1.853 0 50 CDAA O=C(NCc1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O 315131 AOHGIEMTQYNCBP-QWHCGFSZSA-N 259.305 1.970 0 50 CDAA C[C@@H](Cc1ccccc1)NC(=O)CN1CCCC1=O 448467 RVNANBKBWDVOGC-LBPRGKRZSA-N 260.337 1.356 0 50 CDAA COc1ccc(CCNC(=O)c2cnccn2)cc1OC 476093 MWQWBNQNVWBHLY-UHFFFAOYSA-N 287.319 1.466 0 50 CDAA Nc1nc(SCC(=O)c2ccc3c(c2)OCO3)n[nH]1 619763 QGXRECRWSIRTMD-UHFFFAOYSA-N 278.293 1.091 0 50 CDAA CCOC(=O)N1CCC(NC[C@H]2CCCO2)CC1 757662 UENAQCDMPDETAM-GFCCVEGCSA-N 256.346 1.376 0 50 CDAA CNC(=O)c1ccnc(-c2cc3c(cc2OC)OCO3)c1 2356167089 IHUAASSXJFYCPR-UHFFFAOYSA-N 286.287 1.846 0 50 CDAA NCCc1ccc(-c2ccc(CNCCO)cc2)cc1 2356169110 KYMXHSQYWQANHN-UHFFFAOYSA-N 270.376 1.937 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 7978585 RVLHLMFNCSEIHG-SNVBAGLBSA-N 251.257 1.763 0 50 CDAA Cc1noc2ncnc(NC[C@H](O)C3CCOCC3)c12 225388495 WQNMPSHLCAHJSX-JTQLQIEISA-N 278.312 1.126 0 50 CDAA CCOc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 9087472 HRTJVCUWYSKTTP-SNVBAGLBSA-N 293.348 1.580 0 50 CDAA C[C@H]1CCCN(C(=O)C[C@@H](C)[C@H]2CCCNC2)[C@@H]1CN 247107086 KYKGFSRAWJLFPN-LJISPDSOSA-N 281.444 1.598 0 50 CDAA Nc1nc(NC[C@H]2CCCO2)c2cc(C(=O)O)ccc2n1 65509089 GMWKJQAYYLIDNZ-SECBINFHSA-N 288.307 1.501 0 50 CDAA COCCN(C)c1nc(N2CCCC2)nc(C)c1C 65460118 LCWPZFCOILDMSH-UHFFFAOYSA-N 264.373 1.776 0 50 CDAA OCC1(O)CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 67712873 UDKCFFUQHZPLBK-CQSZACIVSA-N 295.379 1.840 0 50 CDAA Cn1nccc1C(=O)NCC1(C(=O)O)CCCCC1 137990434 FTXMCYNBRUMKFM-UHFFFAOYSA-N 265.313 1.185 0 50 CDAA CSCC[C@@H](C)NCCn1c(C)cc(C)nc1=O 65386424 KFRWUVQPINAMSM-SNVBAGLBSA-N 269.414 1.591 0 50 CDAA CCc1cnccc1-c1noc([C@@]2(C)CCCNC2=O)n1 350231145 WTRFIEFDYGQZTJ-HNNXBMFYSA-N 286.335 1.862 0 50 CDAA CC(C)c1nccn1CCCNC(=O)c1cnco1 220558442 NZIJRTKFAMTOSQ-UHFFFAOYSA-N 262.313 1.815 0 50 CDAA C[C@@H](NC(=O)CCc1cccs1)c1nnnn1C1CC1 252478713 ASYJDLADMDLESL-SECBINFHSA-N 291.380 1.880 0 50 CDAA O=C(NCCN1CCCOCC1)N1CCc2ccccc21 252536964 JZAPNICALKBWCB-UHFFFAOYSA-N 289.379 1.481 0 50 CDAA NC(=O)c1cccnc1N1CCN(CC2CCC2)CC1 32578234 BCGVESXMNJNXNP-UHFFFAOYSA-N 274.368 1.103 0 50 CDAA C[C@@H](c1n[nH]c(=O)n1Cc1ccco1)n1cccn1 65403361 JWCILLZNJGLGFL-VIFPVBQESA-N 259.269 1.019 0 50 CDAA CCn1ncnc1[C@H](C)NC1CSCCSC1 67447018 LTPDMQSWPUIPSR-VIFPVBQESA-N 272.443 1.797 0 50 CDAA O=C(c1cn2ccccc2n1)N1CCc2nnc(O)cc2C1 356139683 FQJOSRKOYVNXDI-UHFFFAOYSA-N 295.302 1.028 0 50 CDAA COc1ccc(OC)c([C@H]2CCN(c3ncncn3)C2)c1 218831860 JAAMYTKDSCMRAD-NSHDSACASA-N 286.335 1.883 0 50 CDAA CCn1cc([C@H]2OCC[C@@H]2C(=O)N=c2cco[nH]2)cn1 328631644 REIYPMRKJHUMPA-CMPLNLGQSA-N 276.296 1.029 0 50 CDAA COc1cc(C)sc1C(=O)N1C[C@H](C)N[C@H](C)C1 154117916 GRHRFAMUMOUJIA-DTORHVGOSA-N 268.382 1.888 0 50 CDAA Cc1cccc(-n2cccc2CN2CCO[C@H](CN)C2)c1 71422122 MXDFLPLIQZCCKQ-QGZVFWFLSA-N 285.391 1.945 0 50 CDAA O=C(N[C@@H]1CCCN(c2cnccn2)C1)c1ccncc1 216210117 QERXSTIRIHEQKZ-CYBMUJFWSA-N 283.335 1.270 0 50 CDAA Cc1noc(C)c1CO[C@@H]1CCN(Cc2ncc[nH]2)C1 368871298 XPTZEKVQOIZQRB-GFCCVEGCSA-N 276.340 1.806 0 50 CDAA O=C(CCc1cccnc1)NCCCn1ccccc1=O 76421355 GEYIQVWSSMZYFG-UHFFFAOYSA-N 285.347 1.382 0 50 CDAA COC(=O)C1(O)CCN(C(=O)[C@@H](C)CC2CCCC2)CC1 370614602 RJUMPHIVHJSRGM-LBPRGKRZSA-N 297.395 1.729 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@](O)(CO)CC2)c(F)c1 72161317 FCINWTDGHYCKIV-OAHLLOKOSA-N 281.327 1.484 0 50 CDAA COc1ccccc1CCNC(=O)c1ccn2cnnc2c1 215841264 NMJUVWWHGLETIR-UHFFFAOYSA-N 296.330 1.710 0 50 CDAA CC(C)Oc1ccc(CNC(=O)CCC(=O)O)cc1 36559407 PFWZADPYNMUTDL-UHFFFAOYSA-N 265.309 1.955 0 50 CDAA O=C(N=c1cc[nH][nH]1)Nc1ncc(C(F)(F)F)s1 334349277 UVIHBVIXKMRSHM-UHFFFAOYSA-N 277.231 1.951 0 50 CDAA O=C(c1cc(C2CC2)on1)N1CCN[C@@H](c2ccncc2)C1 374371966 MUNOUTYZKOXXAN-CQSZACIVSA-N 298.346 1.734 0 50 CDAA O=C(O)c1ccc(/C=C/C(=O)N2CCOCC2)cc1 238020174 OFFWPGPNRCLDCB-ZZXKWVIFSA-N 261.277 1.257 0 50 CDAA CCc1cccc(NC(=O)CN2CC[C@H](n3cncn3)C2)c1 375319693 OWYRIPAKSZCTOJ-HNNXBMFYSA-N 299.378 1.726 0 50 CDAA COc1c(C)cnc(Cn2cc(C(C)=O)nn2)c1C 311355784 CUCYYAODQZZCAA-UHFFFAOYSA-N 260.297 1.549 0 50 CDAA COCCCCC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 241930319 UHQFXFGRBXZTRR-DJIHRAIXSA-N 269.341 1.419 0 50 CDAA O=C(NC1CCOCC1)N1CCOc2cc(O)ccc2C1 287514093 HVAUXLFSBKQWMG-UHFFFAOYSA-N 292.335 1.475 0 50 CDAA C[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)c1nc[nH]n1 176210554 LOGQOWGAKPJRTM-SBMIAAHKSA-N 288.307 1.210 0 50 CDAA Cn1ccnc1CCNC(=O)c1cnc2ccccc2n1 222329859 MNURETUHMKSUTC-UHFFFAOYSA-N 281.319 1.336 0 50 CDAA O=C(NCC1(C(=O)O)CC1)[C@@H]1Cc2ccccc2S1 138885492 HZSXMPKIWMSLGL-NSHDSACASA-N 277.345 1.684 0 50 CDAA CC1(C)CC(CC(=O)NCCn2ccnn2)CC(C)(C)N1 426380351 JDZVNQJLVPDWER-UHFFFAOYSA-N 293.415 1.341 0 50 CDAA Cc1ccsc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)O 223686455 GYMHBPSUSVDXBQ-ZJUUUORDSA-N 299.348 1.045 0 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O=C(CN1CCCC1)NCCCn1cc(Cl)cn1 222435049 TZYYDKAUQAYCHF-UHFFFAOYSA-N 270.764 1.139 0 50 CDAA Cc1nn(-c2nn[nH]n2)c(C)c1-c1ccc(CN(C)C)cc1 426563154 LAUXEPVYIASHJX-UHFFFAOYSA-N 297.366 1.731 0 50 CDAA COc1ccccc1OC1CN(C(=O)[C@@H](O)CC(C)C)C1 95385554 YFHFPSPXTYFATA-ZDUSSCGKSA-N 293.363 1.692 0 50 CDAA Cc1nc(C)c(CC(=O)NCCNc2cccnc2)s1 97610065 LYAQFTDJHHHGQA-UHFFFAOYSA-N 290.392 1.926 0 50 CDAA Cc1nonc1CC(=O)N[C@H](CC(=O)O)c1ccccc1 426498626 PCEJOOIBAUCGMH-GFCCVEGCSA-N 289.291 1.253 0 50 CDAA CCOCCn1nc(C)cc1-c1nc([C@@H]2CCOC2)no1 96141991 PUBUILDKHGHRNW-LLVKDONJSA-N 292.339 1.782 0 50 CDAA Cc1nc(C)c(C)c(NCCCN2CCC[C@@H](CO)C2)n1 91782396 MGDBDEZDMWGGEJ-OAHLLOKOSA-N 292.427 1.908 0 50 CDAA C[C@@H]1CN(Cc2cnn(C)c2C2CC2)CC[C@]1(C)O 91792987 AFJYGDQBJKEAOI-ABAIWWIYSA-N 263.385 1.890 0 50 CDAA c1cnc(SCc2nc([C@@H]3CCOC3)no2)nc1 96166481 GEBJMIVDGDAZBM-MRVPVSSYSA-N 264.310 1.656 0 50 CDAA CCCn1ncc(C(=O)NCCn2nc(C)nc2C)c1C 91680642 GDFOIJQWXKENMJ-UHFFFAOYSA-N 290.371 1.240 0 50 CDAA CCSCCNC(=O)Nc1cccc(C(N)=O)c1C 96153080 KUALKEJTGDXNSM-UHFFFAOYSA-N 281.381 1.969 0 50 CDAA Cc1nn(C)c(C)c1NC(=O)NC[C@@H](O)c1ccco1 95500406 KUXNCEMBKIVLCK-SNVBAGLBSA-N 278.312 1.485 0 50 CDAA CCN1CCN(Cc2cnn(CCC(=O)O)c2)CC1(C)C 97813901 DPGOEWHPTZCKPQ-UHFFFAOYSA-N 294.399 1.274 0 50 CDAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)Nc1cccc3cn[nH]c13)C2 96166414 GXVCFVGHQWPMIB-MNOVXSKESA-N 299.334 1.305 0 50 CDAA CC[C@@H](C(=O)NCc1ncc(C)c(O)c1C)N(C)CC 244734846 NMUVZRZAMLKRLG-ZDUSSCGKSA-N 279.384 1.751 0 50 CDAA CN1CCC(CN(C)C(=O)C[C@H]2CCOC2)CC1 352082777 KBHDNAJWDCOUAA-CYBMUJFWSA-N 254.374 1.213 0 50 CDAA Cc1n[nH]cc1-c1nn2cnnc2c2ccccc12 534640878 HFOUFBDRYPLQLV-UHFFFAOYSA-N 250.265 1.976 0 50 CDAA Cc1cccnc1[C@@H](NC(=O)CCn1cnnc1)C1CC1 534587853 XTXVCZBUYJVNSH-HNNXBMFYSA-N 285.351 1.639 0 50 CDAA COc1coc(CN(C)C[C@H]2CCOC2)cc1=O 268490587 RHRPYDDLFJZHCQ-SNVBAGLBSA-N 253.298 1.117 0 50 CDAA COC(=O)[C@@H]1CCN1c1cncc(Cl)c1C=O 725345226 KJRMKHIKBYWKNW-VIFPVBQESA-N 254.673 1.299 0 50 CDAA CC[C@H](c1ccnn1C)n1cnc2ncccc2c1=O 584894471 SBJNQULIOUMHFK-LLVKDONJSA-N 269.308 1.524 0 50 CDAA O=C(c1cc2c(nc1O)CCCC2)N1CCc2nocc2C1 584886202 YGTTZCKKELKEQC-UHFFFAOYSA-N 299.330 1.853 0 50 CDAA Cc1nncn1CCN1CCN(C(=O)c2ccccc2)CC1 670455670 JPCVOOZQURGVHM-UHFFFAOYSA-N 299.378 1.045 0 50 CDAA CNC(=O)[C@@H]1CCN(C(=O)c2cccc3c2CCC3=O)C1 670472099 MRUKIVQXROSBGL-SNVBAGLBSA-N 286.331 1.024 0 50 CDAA COC[C@@H](OC(=O)c1nc(Cl)sc1C)C(=O)OC 864087440 SWCPXHRWQKTLKI-ZCFIWIBFSA-N 293.728 1.450 0 50 CDAA NC[C@@H]1C[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)CCN1 757207438 BEYZMBORRMATFB-CHWFTXMASA-N 265.323 1.244 0 50 CDAA O=C(O)[C@H](F)[C@@H]1CCN(C(=O)c2cccc3[nH]ncc23)C1 1548599455 KVLHQIFNRGTRIK-PRHODGIISA-N 291.282 1.448 0 50 CDAA O=C1CN(C(=O)CCc2ccccc2Br)CN1 1875274724 UTRFELMOEYXJIX-UHFFFAOYSA-N 297.152 1.298 0 50 CDAA Cc1cc(C(=O)N2CC[C@@]3(C2)OC(=O)N[C@H]3C)c(C)[nH]1 1875299469 MJEKSUSXHGNWAW-HZMBPMFUSA-N 277.324 1.345 0 50 CDAA C[C@H]1[C@H](C)CCN1C(=O)c1nccc2c1CNCC2 1875304296 GKODHXDBHSDEKA-MNOVXSKESA-N 259.353 1.598 0 50 CDAA COc1nc(N2CCn3cncc3C2)nc2ccccc12 1875305721 ZJPPKZUFWAFPDD-UHFFFAOYSA-N 281.319 1.855 0 50 CDAA CC(C)(N)c1nc(-c2ccc(Cl)cc2)nn1CCO 952977122 ZWVLDDCHQLXCAX-UHFFFAOYSA-N 280.759 1.785 0 50 CDAA Cc1[nH]nc(C(=O)N[C@@H](C)COc2ccccc2)c1O 1411727577 PUNVZRWAUXKQSM-VIFPVBQESA-N 275.308 1.621 0 50 CDAA CC(C)C1CCN(C(=O)[C@H]2NCc3ncncc32)CC1 1775962570 SWEHYXOPXNWBTA-AWEZNQCLSA-N 274.368 1.516 0 50 CDAA Cc1nnc(NC(=O)[C@@H]2CCCO[C@@H]2C(C)C)n1C 408474883 WUZOCAZSRMMOML-GHMZBOCLSA-N 266.345 1.513 0 50 CDAA N=C(CN1CCOCC1)NOCc1csc(Cl)n1 408525205 PGADGKYIXCFXMX-UHFFFAOYSA-N 290.776 1.127 0 50 CDAA O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC[C@H](Cn2ccnn2)C1 269804910 ANRZEYIUODUEQM-AJNGGQMLSA-N 286.379 1.729 0 50 CDAA CN(C)C[C@]1(O)CCCN(c2ncnc3ccsc23)C1 631343906 KCJJENQQKSQMPE-CQSZACIVSA-N 292.408 1.584 0 50 CDAA OCC(F)(F)CNCc1cccc(-n2cccn2)c1 170082066 IWZYWVDORHWQSQ-UHFFFAOYSA-N 267.279 1.590 0 50 CDAA Cc1nonc1NS(=O)(=O)c1cn(CC(C)C)cn1 170603064 YTEMUDBEKMKJSR-UHFFFAOYSA-N 285.329 1.031 0 50 CDAA CC[C@H](C(=O)Nc1cc(C)on1)N1C[C@@H]2CN(C)C[C@@H]2C1 170615856 DJJKDHMEHOOQBV-FRRDWIJNSA-N 292.383 1.194 0 50 CDAA CC(C)CN1CCN(C(=O)CC2(O)CCCC2)CC1=O 186851202 FYJYWPTYGKZPBA-UHFFFAOYSA-N 282.384 1.008 0 50 CDAA CC(C)Cn1ccnc1CNC(=O)[C@@H]1CCCO[C@H]1C 188055688 MHIWMVJIHOLFIR-QWHCGFSZSA-N 279.384 1.970 0 50 CDAA CCO[C@@H]1C[C@](CO)(NC(=O)c2scnc2C)C1(C)C 188886450 NLDXQJFETZNPAB-QMTHXVAHSA-N 298.408 1.747 0 50 CDAA COCCC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 190617613 YXTRPMQTIBLTPF-OAHLLOKOSA-N 291.395 1.398 0 50 CDAA NC(=O)[C@@H]1CCCN1CCSCc1ccccc1 192618787 IROMJZHYWBRQPD-ZDUSSCGKSA-N 264.394 1.870 0 50 CDAA C[C@H](C(=O)N1CCc2cccc(C(=O)O)c2C1)n1cccn1 649257365 HFRRZYZUKGIBPU-LLVKDONJSA-N 299.330 1.727 0 50 CDAA O=C(N[C@@H]1[C@H]2COC[C@H]21)c1cccc(Cn2ccnc2)c1 563560803 GXPACQVBQLOGQL-FICVDOATSA-N 283.331 1.306 0 50 CDAA COCC[C@H]1CCC[C@@H]1NCc1ncc2c(n1)CCOC2 652235957 YUYVLJWMZBUUFT-OCCSQVGLSA-N 291.395 1.844 0 50 CDAA CO[C@@H]1CCC[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1 195572595 VXYKBBRWFBRBPN-RRFJBIMHSA-N 292.379 1.457 0 50 CDAA COc1ccc(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c(OC)c1 1074573967 WEIJBQRPISYKFB-GZBFAFLISA-N 291.347 1.540 0 50 CDAA CCc1nc(=NCc2cc3n(n2)CCCC3)s[nH]1 585092284 NBQHAJGOWDVSSP-UHFFFAOYSA-N 263.370 1.667 0 50 CDAA CC[C@H](C)CN(C)[C@H]1CCN(CCC(=O)OC)C1=O 585094195 OEPYSUCRPIPTGG-RYUDHWBXSA-N 270.373 1.128 0 50 CDAA Cc1nn[nH]c1NC(=O)CSC[C@H]1CCCCO1 585126435 YZPMROSUWPTLDJ-SECBINFHSA-N 270.358 1.354 0 50 CDAA Cc1cc(C)nc(CNC(=O)CSc2nnc(C)o2)n1 1506421166 FOTFJIKOMCGNEK-UHFFFAOYSA-N 293.352 1.193 0 50 CDAA COCC[C@H]1CCCN(CCn2c(O)nc(C)cc2=O)C1 1506425206 OFOOCUJTLUWCPS-CYBMUJFWSA-N 295.383 1.006 0 50 CDAA Cc1cc(CC(=O)N2CCO[C@H](C3CC3)C2)cc(C)n1 1857686275 OPEZNGZGHUMJNM-HNNXBMFYSA-N 274.364 1.878 0 50 CDAA Cc1nccc(N[C@H]2COC[C@H]2Cc2ccncc2)n1 1704337760 DLVJLBVNGHGBJZ-KGLIPLIRSA-N 270.336 1.850 0 50 CDAA Cc1noc(COC2CN(C[C@@H]3CC=CCC3)C2)n1 643831122 JGHSIRPRCWLHIG-GFCCVEGCSA-N 263.341 1.935 0 50 CDAA O=S(=O)(CC1CC1)N1CCC[C@@H](N2CCCC2)CC1 336485623 UIXPQTYXHJGCLB-CQSZACIVSA-N 286.441 1.677 0 50 CDAA CC(C)(CNc1nccn2cnnc12)N1CCCC1 1615576837 RKUPCCPOAQILIW-UHFFFAOYSA-N 260.345 1.411 0 50 CDAA COC1(CC(=O)N2C[C@@H](N)C3(CCC3)C2)CCC1 1615606240 ULFDYGMGFBJLBM-LLVKDONJSA-N 252.358 1.285 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCCOCC1 1615616007 UPPUJSQYGUYVAH-INIZCTEOSA-N 290.363 1.044 0 50 CDAA COc1cc(C(=O)O)ccc1I 28278629 WUGQVHZHKSOODO-UHFFFAOYSA-N 278.045 1.998 0 50 CDAA in-vitro O=C1CO[C@]2(CCN(C/C=C/c3ccc(F)cc3)C2)CN1 1772817197 LYBXVUZTDZMKNV-XGBNDESESA-N 290.338 1.430 0 50 CDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccccc1 137571012 MFUCMTIVYRQXAH-WYUUTHIRSA-N 261.277 1.503 0 50 CDAA CN(C)C(=O)CCNC(=O)c1ccccc1Cl 5704649 XRIABUXPLXLODP-UHFFFAOYSA-N 254.717 1.548 0 50 CDAA CN(C)c1nc2nonc2nc1N[C@@H]1CCOC(C)(C)C1 11933024 ZIJCSIZQFUBWER-MRVPVSSYSA-N 292.343 1.448 0 50 CDAA CCN(CC)C(=O)c1cc(N)c(OC)c(OC)c1 12411561 BNLVPELKTMIQIE-UHFFFAOYSA-N 252.314 1.768 0 50 CDAA Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)n3ncnc3N2)c1 13124524 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COc1cc(NC(=O)CN2CCC[C@H]2CO)cc(OC)c1 118400629 VHMOTNUUQZUWOR-LBPRGKRZSA-N 294.351 1.099 0 50 CDAA CCCN(CCO)Cc1cc(OC)c2c(c1)OCO2 23281279 DUAHRPKWGRCJCJ-UHFFFAOYSA-N 267.325 1.628 0 50 CDAA CCN(C(=O)c1ccc(C(=O)OC)cc1)[C@H](C)CO 67675705 RSNJQOXQGQBTCF-SNVBAGLBSA-N 265.309 1.316 0 50 CDAA CCc1cc(N2CCC[C@@](C)(CO)C2)nc(N(C)C)n1 65381730 UOGOAJHHCNMUIL-OAHLLOKOSA-N 278.400 1.704 0 50 CDAA CC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 252675344 TURYXRXCNUNUIN-HZSPNIEDSA-N 258.321 1.280 0 50 CDAA C[C@H](NCc1ccc([C@H]2CCCCO2)o1)C(N)=O 32511611 QSAZBTPSYJOVIS-GXSJLCMTSA-N 252.314 1.485 0 50 CDAA Cc1cc(-c2ccccc2)nc(N(C)N)c1S(C)(=O)=O 1387831 BVVQAYWIIQPCDG-UHFFFAOYSA-N 291.376 1.770 0 50 CDAA O=C(OCC[C@@H]1Oc2cccnc2NC1=O)c1ccco1 1393672 JBZRRBVAQLMWAK-JTQLQIEISA-N 288.259 1.621 0 50 CDAA O=C(O)[C@H]1CS[C@@H](c2ccc(F)c(F)c2F)N1 36569566 OWSQVKZOOHZWPY-MUWHJKNJSA-N 263.240 1.892 0 50 CDAA CCOc1ncccc1C(=O)N1CCC[C@H]1C(=O)OC 328591501 NHRVCOQLWNDELM-NSHDSACASA-N 278.308 1.258 0 50 CDAA 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CDAA O=C(O)C[C@@H](NC(=O)[C@H]1CCCOC1)c1cccs1 238149983 XITCIXMLXVGHQI-VHSXEESVSA-N 283.349 1.807 0 50 CDAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@@H]2C(=O)O 238165989 BLXZJROBTIMWKP-RBXMUDONSA-N 285.296 1.170 0 50 CDAA C[C@]1(C(=O)NCC2(CO)CCCC2)CCCNC1 135096321 OCEGXQQOFCIEIE-ZDUSSCGKSA-N 254.374 1.045 0 50 CDAA CCc1nc(CNC(=O)c2ccc(C)nc2OC)n[nH]1 452177897 DPEDDQRUBZGTOE-UHFFFAOYSA-N 275.312 1.009 0 50 CDAA CC(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1 40456136 MXNROZFVOCHITE-UHFFFAOYSA-N 274.364 1.904 0 50 CDAA Cc1nc2ccc(N(C)Cc3scnc3C)nn2n1 286663206 FDRNYYCLHUKYCI-UHFFFAOYSA-N 274.353 1.834 0 50 CDAA Cc1c(Cl)cccc1OCC(=O)N(C)[C@H]1CCNC1 179115110 UHUNNTTXJXUVLJ-NSHDSACASA-N 282.771 1.848 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2c(C(C)C)nn(C)c2Cl)C1 179009902 SVAAQZHIWHZYBH-JTQLQIEISA-N 298.818 1.878 0 50 CDAA O=C(O)c1cnc(NCCc2cn3c(n2)SCC3)cn1 263407292 LCHJXTZWIKWMFS-UHFFFAOYSA-N 291.336 1.132 0 50 CDAA Cc1cc(C)n([C@H](C)C(=O)N2CC3(CCOCC3)C2)n1 613349086 XKKHDJWEDKOMPP-CYBMUJFWSA-N 277.368 1.700 0 50 CDAA C[C@H](CN(C)c1ccc2nnc(C(C)(C)C)n2n1)C(=O)O 263561548 RYNLWIQDIQDVSS-SECBINFHSA-N 291.355 1.579 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCc3c[nH]nc3C2)nc(C)n1 329690206 VYDNKEAKWKTZGU-NSHDSACASA-N 271.324 1.104 0 50 CDAA CN(C)C1(CNC[C@@H]2CCCNC2)CCCCC1 132002255 LRODWBUXCRMVJW-CQSZACIVSA-N 253.434 1.840 0 50 CDAA CC[C@](C)(O)CNC1CCN(Cc2ccccn2)CC1 177959325 FIGSSOKTJWIHNX-INIZCTEOSA-N 277.412 1.797 0 50 CDAA Cc1ccc(CN(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)o1 290124415 YZVBJTWZYRYBLN-LLVKDONJSA-N 288.351 1.480 0 50 CDAA CC(C)c1nnc(Cn2ccc(=O)c3cnn(C)c32)s1 530165382 XVAXHGVMMIQJDH-UHFFFAOYSA-N 289.364 1.758 0 50 CDAA CC[C@@H](NC(=O)c1ccnn1C(C)C)C(=O)N(C)C 426428335 NMURYVDKPRATPQ-SNVBAGLBSA-N 266.345 1.061 0 50 CDAA CN1CCN(C(=O)Cc2cncnc2)Cc2ccccc21 290399713 HTMXHSFKBDPNOJ-UHFFFAOYSA-N 282.347 1.498 0 50 CDAA NC[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 178514166 RLVLLDXNMFQEBC-CXLRFSCWSA-N 288.347 1.278 0 50 CDAA CC(C)Oc1cccc(-c2nc(C(=O)N(C)C)n[nH]2)c1 426497299 RBHDMZBAZSFGTF-UHFFFAOYSA-N 274.324 1.961 0 50 CDAA COc1csc(C(=O)N2CCC[C@@H]2C(=O)O)c1 161365072 NZZPYHOXWZEZGV-MRVPVSSYSA-N 255.295 1.446 0 50 CDAA C[C@H](C(=O)NC1(CC(=O)O)CCCCC1)N1CCCC1=O 426430630 FYYRLAUEEPPAFU-LLVKDONJSA-N 296.367 1.291 0 50 CDAA CC(C)Cn1c(CN)nnc1SC[C@@H]1CCCO1 426533932 DTTBJQBBHGHZCY-JTQLQIEISA-N 270.402 1.664 0 50 CDAA Cc1[nH]nc(C(=O)NCCN=c2cc[nH]cc2C)c1Cl 426606833 YVEJNNZKRVXZQY-UHFFFAOYSA-N 293.758 1.339 0 50 CDAA C[C@]1(c2ccccc2)CCC(=O)N(CCS(C)(=O)=O)C1 91726219 HRDDKUZGBPFLLS-HNNXBMFYSA-N 295.404 1.611 0 50 CDAA c1ccc(CCn2nc(C3CC3)nc2Cn2ncnn2)cc1 96132895 PWMQSAIJYHDBMV-UHFFFAOYSA-N 295.350 1.433 0 50 CDAA Cc1nnc(CN2C[C@H](C(C)C)[C@@H](N(C)C)C2)s1 92099482 GJZFHIJKGVRVTI-NEPJUHHUSA-N 268.430 1.865 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)c1nc2c(s1)CCC2 622361407 FPSJEJGFPCLBRU-UHFFFAOYSA-N 262.338 1.627 0 50 CDAA CC(C)c1cc(C(=O)NCCN2CCCC[C@@H]2CO)on1 91585583 KLWFZXOBCINWLX-GFCCVEGCSA-N 295.383 1.375 0 50 CDAA COc1cccc([C@H]2CCN2C(=O)CN2CCCC2=O)c1 95519232 XPJVCMYFISJTRZ-CQSZACIVSA-N 288.347 1.591 0 50 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277.320 1.664 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COCC1CC1 299748781 IDVTVXAITUULDO-AVGNSLFASA-N 281.352 1.657 0 50 CDAA CNC(=O)C1CN(C(=O)Nc2cc(Cl)ccc2OC)C1 184915729 YKOAEVLGONWQLE-UHFFFAOYSA-N 297.742 1.558 0 50 CDAA Cc1noc([C@H]2CN(C(=O)c3ccoc3)C[C@@H](C)O2)n1 628856122 DKVVXTGYJFDVSW-LDYMZIIASA-N 277.280 1.573 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@@H](C)O1 251619699 HMPYXNAVJRIISM-NJBDSQKTSA-N 298.408 1.076 0 50 CDAA Cn1nccc1C(=O)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 629265628 IGUKJBWROYOJJH-GXFFZTMASA-N 289.339 1.041 0 50 CDAA O=c1cc(C(F)(F)F)ncn1Cc1noc(Cl)n1 261494954 XDWICYIBGAJXCF-UHFFFAOYSA-N 280.593 1.347 0 50 CDAA O=C(CN1CCCCCC1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 828869908 AEJXBYKWBKULIH-WDNDVIMCSA-N 266.385 1.377 0 50 CDAA CCN1CC[C@@H](CNS(=O)(=O)CC2CCCC2)C1 823104902 QSZFXRPUKBGOJU-ZDUSSCGKSA-N 274.430 1.438 0 50 CDAA CC(C)CS(=O)(=O)NCCc1nc(C2CC2)no1 821387111 CHBUAZKGMDWHAW-UHFFFAOYSA-N 273.358 1.065 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc2c(c1)CCC2 584884727 KJBRIWKRHHCTCM-HOTGVXAUSA-N 288.391 1.624 0 50 CDAA Cn1cc(CCS(=O)(=O)c2cc(F)ccc2F)cn1 585136795 SRYHWZLYEHLANN-UHFFFAOYSA-N 286.303 1.715 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)c2[nH]nnc2C)c1 584889748 QFGVXMLOJHIEBD-UHFFFAOYSA-N 259.313 1.397 0 50 CDAA Cc1cc(CC(=O)N2CCN(C(=O)CC(C)C)CC2)on1 584892751 OOXMCWRTAYFOQT-UHFFFAOYSA-N 293.367 1.242 0 50 CDAA Cc1cc(NCCc2nc(C(C)C)nn2C)ncn1 952993779 JXCSVKMPWLGBIL-UHFFFAOYSA-N 260.345 1.692 0 50 CDAA C[C@@H](C(=O)N1CCC(O)(CN2CCCCC2)CC1)C1CC1 1457068068 OBFCMJRYRUSJNA-CQSZACIVSA-N 294.439 1.872 0 50 CDAA CC(C)c1csc(CN(CCO)Cc2nccn2C)n1 952873528 LGEHDYLNBBLQTG-UHFFFAOYSA-N 294.424 1.995 0 50 CDAA C[C@@H]1CN(C(=O)c2cc3ccc(O)cc3[nH]2)CCC1=O 1875299852 YGGZJVIZQGJQPA-SECBINFHSA-N 272.304 1.925 0 50 CDAA CCN(CC)[C@H]1CCN(C2=NC[C@@H]3CCCCN23)C1 1875280666 LKFKKOMOSIMJOC-KBPBESRZSA-N 264.417 1.627 0 50 CDAA O=C(c1cnncc1O)N1CCC(c2cnco2)CC1 1875287314 DPCNCLHSEXLTNN-UHFFFAOYSA-N 274.280 1.190 0 50 CDAA NC(=O)[C@@H](NC(=O)C1CC(=O)C1)c1ccc2ccccc2c1 1875361830 DJJJMIJREJHYKZ-HNNXBMFYSA-N 296.326 1.462 0 50 CDAA O=C(Cn1ncc2ncccc21)Nc1ccc2c[nH]nc2c1 1875307413 FDTHSNQRWBQWCE-UHFFFAOYSA-N 292.302 1.946 0 50 CDAA O=C1CCCN1CCCC(=O)N(CCO)Cc1ccco1 952984685 QMBVOORZSQFGNX-UHFFFAOYSA-N 294.351 1.003 0 50 CDAA CC(C)(O)CCN1CCC[C@@H](CNC(=O)c2ccoc2)C1 952974399 MGCCXFBRBDGXBK-ZDUSSCGKSA-N 294.395 1.882 0 50 CDAA Cc1cccnc1CN(C)Cc1c(CO)cnc(C)c1O 952870006 TTYFASQYZPVIII-UHFFFAOYSA-N 287.363 1.923 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nc(C)c(C)o2)C1 888079342 YKCJKNDFZQJYEX-VXGBXAGGSA-N 276.340 1.977 0 50 CDAA COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)/C(F)=C(\C)C1CC1 1775987283 OZTDAHXZDYCMSQ-RDQDRAATSA-N 293.298 1.620 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCn2nc(C)nc2C1 408274869 PWWVJMFATLIODW-RYUDHWBXSA-N 278.356 1.134 0 50 CDAA C[C@]1(O)CCN(c2cc(C(F)(F)F)ccn2)C[C@H]1O 1565510042 VKHJFRNPCRDROC-KOLCDFICSA-N 276.258 1.422 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2ccc(O)cn2)C[C@@H]1N(C)C 1565511520 PHPAILVFGHSCAW-OCCSQVGLSA-N 277.368 1.445 0 50 CDAA COC1CC(N[C@H]2CS(=O)(=O)c3ccccc32)C1 221242519 PTEDWGXIZLNZAX-CBINBANVSA-N 267.350 1.282 0 50 CDAA CC(C)(C)OC(=O)N1CC2(C1)NCCn1cccc12 1535646071 RPLQPCRAVUBTBM-UHFFFAOYSA-N 263.341 1.537 0 50 CDAA CSC[C@@H](C)C(=O)NCC(C)(C)[C@@]1(O)CCCOC1 585113773 JJPMBAVTEOFGMR-BXUZGUMPSA-N 289.441 1.669 0 50 CDAA c1cnc(N2CC[C@@H](OCc3ccncc3)C2)nc1 170686928 YHHFZNMGAJSJEF-CYBMUJFWSA-N 256.309 1.667 0 50 CDAA COc1cccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)n1 170649217 PCHAXYONMAYTQM-ZDUSSCGKSA-N 286.379 1.888 0 50 CDAA O=S(=O)(NC1CCC1)c1c[nH]nc1C(F)(F)F 632431446 GHINQECORKZQBG-UHFFFAOYSA-N 269.248 1.259 0 50 CDAA Cc1cc(C(F)(F)F)nn1[C@H]1CCCS(=O)(=O)C1 634634373 WHLLRORBVUZRMB-QMMMGPOBSA-N 282.287 1.960 0 50 CDAA CCc1ccc(C(=O)N(C)C2(C(N)=O)CCCC2)c(C)n1 188039194 VUHBUWFVLCHAAV-UHFFFAOYSA-N 289.379 1.823 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCNC(=O)O2)CC1 40448758 CYBYEGNEBRILCO-UHFFFAOYSA-N 270.329 1.886 0 50 CDAA in-vitro C[C@@H](CNC(=O)c1ccncc1Br)C(=O)O 190965102 HFCWTPOAAPLMHL-LURJTMIESA-N 287.113 1.295 0 50 CDAA CC(C)n1cc(CN2CC[C@@H](C)S(=O)(=O)CC2)cn1 192049587 PGWRNYKSDXHQDS-GFCCVEGCSA-N 285.413 1.473 0 50 CDAA O=C(O)C(=O)N[C@@H]1CCc2[nH]c3ccc(Cl)cc3c2C1 647599352 ZGAULSQQTZXBFB-MRVPVSSYSA-N 292.722 1.879 0 50 CDAA O=C(N[C@@H]1C[C@H](C(=O)O)c2ccccc21)[C@H]1CCOC1 653333428 OUNXPSVSIYKNGY-TVYUQYBPSA-N 275.304 1.452 0 50 CDAA Cc1onc(CO)c1C(=O)N1C[C@H](C)OC2(CCCC2)C1 655160155 GZSFHKWJODYLJP-JTQLQIEISA-N 294.351 1.649 0 50 CDAA CN(CCCNC(=O)C[C@@H]1CCNC1)c1ccccc1 89717529 RSFSGLFJTBZVNS-AWEZNQCLSA-N 275.396 1.629 0 50 CDAA O=C(C[C@@H]1CNCCO1)NCc1nc2ccccc2s1 91310453 NVTLKPUZFVFLBW-SNVBAGLBSA-N 291.376 1.291 0 50 CDAA Cc1nonc1CC(=O)N(CCO)Cc1ccc(F)cc1 1506431313 HZVDXGSAIYNLFQ-UHFFFAOYSA-N 293.298 1.081 0 50 CDAA c1ccc([C@@H]2CN(CCn3cnnc3)CCO2)cc1 1506419642 UJWNTBYOJDSHAW-AWEZNQCLSA-N 258.325 1.352 0 50 CDAA Cc1cc(C[C@@H]2CN(c3ccccn3)C[C@H]2O)n[nH]1 1529100451 UCNBQIKCXDDCEN-DGCLKSJQSA-N 258.325 1.153 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2O)on1 1529167762 OGDJDJQFHMOPAL-ZYHUDNBSSA-N 276.292 1.252 0 50 CDAA O=C(c1ccc(Cl)cn1)N(CCO)Cc1ncc[nH]1 1704308800 KSKZKRABGUTMBV-UHFFFAOYSA-N 280.715 1.093 0 50 CDAA Cc1ncc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cn1 1704343613 KDQQRMUGRBJMTJ-HZPDHXFCSA-N 290.411 1.064 0 50 CDAA COC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 219528919 ZIBVAUKRRUEZBU-KGLIPLIRSA-N 288.347 1.876 0 50 CDAA O=C(CCCc1ccc(Cl)cc1)N[C@H]1CNCC[C@@H]1O 220229879 VUUOBAGXRQJRKX-KBPBESRZSA-N 296.798 1.502 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)co1 331678284 TWMVXOGPGAFPMK-GFCCVEGCSA-N 285.365 1.627 0 50 CDAA CCc1nsc(N[C@H](C)C2(S(C)(=O)=O)CC2)n1 672328287 HTDIVLCWAZQFPQ-SSDOTTSWSA-N 275.399 1.478 0 50 CDAA CCc1ncc(S(=O)(=O)N2C[C@H]3C[C@]3(CC)C2)[nH]1 1772815928 DAWOEGFWPWTKIL-BXKDBHETSA-N 269.370 1.393 0 50 CDAA CC(C)Oc1ncccc1NC(=O)N1CC(OCCO)C1 1615549974 OTBJNNQDFFBTTM-UHFFFAOYSA-N 295.339 1.094 0 50 CDAA Cn1cc(CN(CC(=O)O)Cc2cccc(F)c2)nn1 1615553871 UTKPTNJGROXSOV-UHFFFAOYSA-N 278.287 1.041 0 50 CDAA CN(C)CC[C@H]1CCCN1C(=O)CCn1ccccc1=O 1615614192 FAWALHXJVXZMRG-CQSZACIVSA-N 291.395 1.181 0 50 CDAA CC(C)C[C@@H]1NC(=O)N([C@H]2CCN(C(=O)C(C)C)C2)C1=O 1615835511 FQZSEQGKPLKUDJ-RYUDHWBXSA-N 295.383 1.210 0 50 CDAA NCc1nnc(N2CCC[C@@H](c3ccccc3)C2)o1 1772705216 LWHZNJZUFAPADW-GFCCVEGCSA-N 258.325 1.912 0 50 CDAA O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)O)cc21 13639005 YPMYRRHALDQQNA-JTQLQIEISA-N 283.283 1.986 0 50 CDAA Cc1ccc(-c2cccc(C(=O)NCCc3nnn[nH]3)c2)o1 19145334 HQYTVHAEIBWCBR-UHFFFAOYSA-N 297.318 1.741 0 50 CDAA Cc1ccc(S(=O)(=O)C[C@H](C)N2CCN(C)CC2)cc1 19363723 WFUYNNOXJCNJDT-AWEZNQCLSA-N 296.436 1.405 0 50 CDAA CCN1CCN(CCC(=O)Nc2ccc(C)cc2)CC1 19528180 YWBDETADHUIETM-UHFFFAOYSA-N 275.396 1.961 0 50 CDAA Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169363738 HZGCKDDXNQCAME-SYQHCUMBSA-N 287.315 1.896 0 50 CDAA CC[C@@]12COC(=O)N1CCN(C(=O)c1cccnc1C)C2 1857691265 CNCAMHVDQSGQEK-OAHLLOKOSA-N 289.335 1.447 0 50 CDAA Cc1ccc(-c2csc3ncn(CC(N)=O)c(=O)c23)cc1 98476 UCXBSUGUNGNMTF-UHFFFAOYSA-N 299.355 1.919 0 50 CDAA Cc1ccc2c(c1)CC[C@H](C(=O)NCc1cnn(C)n1)O2 606443030 OTDSZBRCXLQASD-CQSZACIVSA-N 286.335 1.134 0 50 CDAA CN(CCC(=O)O)C(=O)c1cnn(Cc2ccccc2)c1 225446436 WIDSLYWKEGTXBE-UHFFFAOYSA-N 287.319 1.478 0 50 CDAA Cc1ccc(C(=O)O)cc1NC(=O)CCCn1cncn1 120195744 RPIROSAHUNWHGW-UHFFFAOYSA-N 288.307 1.704 0 50 CDAA CC[C@@H](CNC(=O)[C@H]1CSCN1)Oc1ccccc1C 121837591 UZQLTTQKMYZHRD-QWHCGFSZSA-N 294.420 1.931 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)CCCOc2ccccc2F)C1 237955662 XKLOWTCJPHWTJF-NSHDSACASA-N 295.310 1.918 0 50 CDAA CC(C)(N)C(=O)N1CC[C@@H](n2ncc3ccccc32)C1 335020634 HKJSVFYLXHFALX-GFCCVEGCSA-N 272.352 1.547 0 50 CDAA COCCCN(CC(N)=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 252488572 IUVMUFOWDHZDPN-QKGCVVFFSA-N 280.412 1.635 0 50 CDAA O=C(Cc1ccc2c[nH]nc2c1)N1CC[C@]2(CCOC2)C1 682831038 PVJCEYLVPVGDLQ-INIZCTEOSA-N 285.347 1.744 0 50 CDAA CN(CC1CC1)c1nnc([C@@H]2CCc3n[nH]cc3C2)n1C 1650279817 XPRGICNWVWFWEW-LLVKDONJSA-N 286.383 1.657 0 50 CDAA O=C(N[C@@H]1CCCOC1)c1nnc(-c2ccns2)o1 902852976 CLMGUPRXQYEMBK-SSDOTTSWSA-N 280.309 1.102 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)NCc1ccccn1 911646672 UTBWWXKZFYHVQM-QGZVFWFLSA-N 297.358 1.507 0 50 CDAA Cn1cc(NC(=O)[C@@H]2NCCOc3ccccc32)ccc1=O 912423802 LRJLNJHJARSTPJ-OAHLLOKOSA-N 299.330 1.047 0 50 CDAA Cn1nccc1[C@@H]1CCCN1C(=O)[C@@H]1CSCCS1 928371413 DJPRGKYBGJQTGZ-RYUDHWBXSA-N 297.449 1.932 0 50 CDAA C=CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 1120553418 YXAIRCYSKYJFIM-ZDUSSCGKSA-N 258.321 1.480 0 50 CDAA C[C@H](NC(=O)N1CCC(F)(F)CC1)c1nc[nH]n1 1668396227 NCPKHAKBPSHYSZ-ZETCQYMHSA-N 259.260 1.306 0 50 CDAA CC(=O)N(C)c1ccc(NC(=S)NCC2CC2)cn1 849265360 KWBYAHQGWRJBLA-UHFFFAOYSA-N 278.381 1.761 0 50 CDAA Cc1nnc(N2CCN(c3ccc(O)cc3)CC2)s1 225409272 AFPPREKBZDYIPQ-UHFFFAOYSA-N 276.365 1.879 0 50 CDAA O=C(c1cncnc1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 229809921 GNZIKZWFCLWPJE-MCIONIFRSA-N 275.352 1.632 0 50 CDAA CO[C@@H](C)CC(=O)N1CCCC[C@H]1CCC(=O)O 237307283 VBEQPFHVFNNTGS-QWRGUYRKSA-N 257.330 1.657 0 50 CDAA COCc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1 154010676 CVBKQHNAFYWVCL-VXGBXAGGSA-N 262.353 1.655 0 50 CDAA C[C@@H](CS(C)(=O)=O)NCc1ccc2nc[nH]c2c1 603517070 QVIDJGASSNCMPC-VIFPVBQESA-N 267.354 1.086 0 50 CDAA Cc1ccc(C2CC(NCc3nnn(C)n3)C2)cc1 365512575 LYPQETSRDRWKLA-UHFFFAOYSA-N 257.341 1.554 0 50 CDAA Cc1n[nH]c(C)c1CCNc1nc[nH]c2ncnc1-2 952869490 LZQFYFZGKXNUKE-UHFFFAOYSA-N 257.301 1.299 0 50 CDAA O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CC[C@@H](c2nn[nH]n2)C1 720626508 DJIPORGKUVUMSQ-WRWGMCAJSA-N 273.340 1.118 0 50 CDAA COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C1 208842 IQMNYSSMEBLLGY-UHFFFAOYSA-N 275.304 1.875 0 50 CDAA CCOc1ccccc1C(=O)NC1=NC(=O)CS1 313484 VIHKQPKERREGBU-UHFFFAOYSA-N 264.306 1.445 0 50 CDAA O=C(NCc1cccnc1)c1cnc2sccn2c1=O 429673 ASQMPQJCKUIFQQ-UHFFFAOYSA-N 286.316 1.081 0 50 CDAA NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3 465071 XTVPYWZYYDVFFJ-UHFFFAOYSA-N 287.315 1.926 0 50 CDAA S=C(NC[C@@H]1CCCO1)n1nnc2ccccc21 466397 AIZDKCBDXWTPSX-VIFPVBQESA-N 262.338 1.333 0 50 CDAA CC(C)COc1ccc(C(=O)NCCC(=O)O)cc1 518217 GYZAWOZIMHLOBX-UHFFFAOYSA-N 265.309 1.926 0 50 CDAA biogenic O=C(Nc1cccc(O)c1)c1cnn2cccnc12 1060088 ITQMZHAYNOWPSU-UHFFFAOYSA-N 254.249 1.687 0 50 CDAA Cc1nc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)nc(C)c1C 2356156048 TUFRGBAAONXULJ-UKRRQHHQSA-N 299.378 1.232 0 50 CDAA Cc1nc2ccc(=NCCc3cc(F)ccc3F)[nH]n2n1 342850859 POHIPJHBQKNTAA-UHFFFAOYSA-N 289.289 1.787 0 50 CDAA CN1CCC(N(C)C(=O)c2ccc3nccnc3c2)CC1 4821192 ACQDFSSIKDIHCT-UHFFFAOYSA-N 284.363 1.796 0 50 CDAA c1nc(NC2CC2)cc(N2CCN3CCCC[C@@H]3C2)n1 413053581 NXOUYKDDFGPVBH-CYBMUJFWSA-N 273.384 1.725 0 50 CDAA CCCc1cc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)[nH]n1 225470116 OZNWSKZWMMCAAX-WCQYABFASA-N 290.367 1.245 0 50 CDAA O=C(Nc1ccc(-c2nnn[nH]2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 225427288 WUOQBMNBSSXWDE-GRYCIOLGSA-N 285.307 1.373 0 50 CDAA Nc1nc(=S)[nH]cc1C(=O)NCc1ccc(F)cc1 57478011 ONELZOUNOKQRIC-UHFFFAOYSA-N 278.312 1.790 0 50 CDAA CO[C@@H]1CCN(C(=O)[C@H](C)OCC(F)(F)F)[C@@H](C)C1 225658056 DENGRJUKZDGAKN-LPEHRKFASA-N 283.290 1.980 0 50 CDAA CCN1CCN(c2nc(-c3ccc(C)cc3)cc(=O)[nH]2)CC1 9698308 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O=C(O)c1[nH]ncc1CN1CCC[C@@H](c2ccn[nH]2)C1 67851411 KFKININYRHDBJR-SECBINFHSA-N 275.312 1.211 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 249617860 TXORBKBIQNXEBU-IACUBPJLSA-N 291.322 1.937 0 50 CDAA COc1c(F)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12 44126785 BCZJHULRTYMTDK-UHFFFAOYSA-N 268.219 1.312 0 50 CDAA C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1c[nH]nn1 118985614 FADNYNMDTALVPK-RNCFNFMXSA-N 272.308 1.269 0 50 CDAA CN(C)C(=O)Cc1nc(Cc2ccc3c(c2)CCC3)no1 350689445 HPMJZWRHRGMUSR-UHFFFAOYSA-N 285.347 1.780 0 50 CDAA O=C([C@@H]1CCc2nncn2C1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 329347051 RRIAWGOGXNHTHP-PDWCTOEPSA-N 286.379 1.345 0 50 CDAA O=C(Nc1cnc2n1CCCC2)c1ccc(O)cn1 67790420 RMAWOSQTHIZUJA-UHFFFAOYSA-N 258.281 1.572 0 50 CDAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CC[C@H]1C(F)(F)F 606444440 HOAGNHDCVUHJPE-VIFPVBQESA-N 286.257 1.944 0 50 CDAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCCC[C@H]2CN)C1 521394598 ZWAFPDOFBODFFX-HZSPNIEDSA-N 268.401 1.922 0 50 CDAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cncc(F)c1)C2 218934051 GYXOAAPFXUSFDR-YABSGUDNSA-N 277.343 1.633 0 50 CDAA Cc1cc(C2CCC2)nc(N2CCO[C@H](CCN)C2)n1 71738692 ADLZXMMLWAGOQT-CYBMUJFWSA-N 276.384 1.607 0 50 CDAA CC[C@@H]1CN(C(=O)C[C@@H](C)NC(=O)C2CCCC2)C[C@@H]1O 332310506 KFEJVZXQNGPIJZ-BZPMIXESSA-N 296.411 1.301 0 50 CDAA CN(Cc1cnccn1)C(=O)[C@H]1CCc2ccccc2O1 216482540 CGZYXAROCJCCOZ-OAHLLOKOSA-N 283.331 1.829 0 50 CDAA Cc1cc(NC[C@@H]2CCNC[C@H]2O)nc(-c2ccccc2)n1 72438355 BWROFYHDOHAMFN-LSDHHAIUSA-N 298.390 1.834 0 50 CDAA CNC[C@@H]1CCCN1C(=O)[C@H](C)n1nc(C)cc1C 237112129 ONXDQVWTWPQBPW-STQMWFEESA-N 264.373 1.271 0 50 CDAA COCc1cc(N2CCO[C@H](C(F)(F)F)C2)ncn1 71524467 KTSQYBUNCRLWOI-VIFPVBQESA-N 277.246 1.391 0 50 CDAA CO[C@@H]1COC[C@@H]1N=c1nc(C2CCCCC2)[nH]s1 333700435 QSVXYGBQWMDAPH-WDEREUQCSA-N 283.397 1.833 0 50 CDAA CC(C)c1cc(C(=O)NCc2ccccn2)n(C)n1 72469095 VVCRBHKALAWVPM-UHFFFAOYSA-N 258.325 1.869 0 50 CDAA COC[C@@H]1CN(C(=O)COCC(F)(F)F)CC(C)(C)O1 339025901 CEPYOBOYDDYSEE-VIFPVBQESA-N 299.289 1.218 0 50 CDAA C[C@@H]1CN(C(=O)c2cn(C)nn2)[C@H](c2ccccc2)CO1 289339182 YZXOHUAAAQWYTH-RISCZKNCSA-N 286.335 1.417 0 50 CDAA Cc1nnc(N2CC[C@H](n3cc(Cl)cn3)C2)o1 290888368 SYQQMIGIYBRXFB-VIFPVBQESA-N 253.693 1.679 0 50 CDAA Cc1nc(N(C)CC2(O)CCCC2)c2cnn(C)c2n1 178601547 BOHFXMIEXMPANB-UHFFFAOYSA-N 275.356 1.413 0 50 CDAA CCCN(Cc1nccn1C)C(=O)[C@@H](C)OCC 426712560 CXPNJXNFPWLHKW-LLVKDONJSA-N 253.346 1.584 0 50 CDAA Cc1cnc(C(=O)N2CCC[C@H](Cn3ccnc3C)C2)cn1 82109510 ADMYTBPODSCOIL-CQSZACIVSA-N 299.378 1.842 0 50 CDAA Cc1nccn1CC[C@H](C)N1CCC2(CC1)CNCCO2 426393109 ZDSOBDNMXOCBKB-AWEZNQCLSA-N 292.427 1.425 0 50 CDAA COC(=O)Cc1[nH]c2nc(Cl)ccc2c1C(=O)OC 230535190 IEOUKSISZDAALS-UHFFFAOYSA-N 282.683 1.718 0 50 CDAA Cc1ccccc1CC1(NC(=O)CCc2nncn2C)CC1 426612453 BSGKUTMJKNNMFC-UHFFFAOYSA-N 298.390 1.948 0 50 CDAA Cc1noc(C)c1CC(=O)N1CC[C@]2(CCCN(C)C2)C1 293900135 HBTQCVPCOWYRRU-INIZCTEOSA-N 291.395 1.778 0 50 CDAA CC(C)[C@H]1COC(=O)N1Cc1ccc(C(=O)N(C)C)o1 95525216 FUCIHEUJWWPYNU-LLVKDONJSA-N 280.324 1.958 0 50 CDAA CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 238997232 ABNVHVKLRCQXOW-BMLQCNMVSA-N 289.331 1.149 0 50 CDAA COc1nc2c(cc1C(=O)N1CCSCC1)CCC2 92064749 LSDCKGDEKVSVID-UHFFFAOYSA-N 278.377 1.768 0 50 CDAA CN(C)[C@H]1CCN(Cc2ccncc2)C[C@H]1CCCO 92046704 NEMRTAARJJGDFY-CVEARBPZSA-N 277.412 1.606 0 50 CDAA CC(C)n1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)cn1 97568862 MKSJXUCEAGGPPN-UWVGGRQHSA-N 269.324 1.286 0 50 CDAA O=C1NCCC[C@@]12CCN(C1Cc3ccccc3C1)C2 91713419 ZSEBFXMVGPVQJN-KRWDZBQOSA-N 270.376 1.756 0 50 CDAA O=S(=O)(N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1CCOC1 245338942 PLOYSSRPXUOQHF-YNEHKIRRSA-N 273.398 1.664 0 50 CDAA Cc1nc(CCN2CCC[C@]3(C2)CN(C)C(=O)O3)cs1 244659837 HJTPNSZQKOZLBM-CQSZACIVSA-N 295.408 1.911 0 50 CDAA C[C@@H]1CN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)C[C@@H](C)O1 249824119 IPLWRAQHYZRWES-WZRBSPASSA-N 288.347 1.748 0 50 CDAA CC(C)CNC(=O)CN(C)[C@H](C)c1ccncn1 244626759 FSHOALSFBJQRPC-LLVKDONJSA-N 250.346 1.242 0 50 CDAA CCC(=O)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@H]1C2 249614903 STHLWPZLDRITMJ-RWMBFGLXSA-N 264.369 1.788 0 50 CDAA CCOC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 250699516 SESCEXYKMJZFEE-MYJAWHEDSA-N 255.314 1.662 0 50 CDAA CC[C@@H](NC(=O)C1(Cn2ccnc2)CC1)[C@H]1C[C@H](O)C1 252536129 HQCKQGCLOXYILH-JHJVBQTASA-N 277.368 1.329 0 50 CDAA CC(C)C[C@H](NC(=O)CCc1nc(Cl)n[nH]1)C(=O)O 534670625 STVQOLJZUDWYQL-ZETCQYMHSA-N 288.735 1.006 0 50 CDAA O=C(NCCc1nccc(-c2ccccc2)n1)[C@@H]1C=CCN1 534667752 IDZHJSXQTJIJHZ-HNNXBMFYSA-N 294.358 1.330 0 50 CDAA CCC(CC)(CC(=O)O)NC(=O)c1ccc2[nH]nnc2c1 262077112 JRAXVGHIEAGSRU-UHFFFAOYSA-N 290.323 1.721 0 50 CDAA Cc1cc(C(=O)Nc2nccn2C)c2c(C)noc2n1 622708142 SXQLPNAHFWXNHA-UHFFFAOYSA-N 271.280 1.825 0 50 CDAA Cc1cccc(C[C@H](C)NC(=O)c2cc(=O)cc(C)n2C)n1 299767526 HQRKSJXFRLVQBX-LBPRGKRZSA-N 299.374 1.758 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1c(F)cccc1Cl 291460321 OYWLJIJQDGFQDK-UWVGGRQHSA-N 273.691 1.623 0 50 CDAA Cc1nc(NCCc2cnn[nH]2)cc([C@@H]2CCOC2)n1 299766452 DUXIDJAAUVDZAL-SNVBAGLBSA-N 274.328 1.062 0 50 CDAA COCc1nc(CNC(=O)[C@H]2C(C)=C2c2ccccc2)no1 299799652 UGOVWPFZTUTBSD-HNNXBMFYSA-N 299.330 1.936 0 50 CDAA CC(=O)N1CC[C@](N)(C(=O)Nc2cnc3ccccc3c2)C1 649284471 AIUDWVMOQPLNJP-MRXNPFEDSA-N 298.346 1.123 0 50 CDAA Cc1ncc(C(=O)NCCNc2ncccc2C)cn1 825276767 RLDKMQWBJUNJNY-UHFFFAOYSA-N 271.324 1.330 0 50 CDAA COC(=O)N[C@@H](C)c1ncnn1-c1ccc2c(c1)OCO2 824155937 LBXKHXMQGLBXRK-QMMMGPOBSA-N 290.279 1.413 0 50 CDAA CCOC(=O)N1CCC(N[C@H](C)c2n[nH]c(=N)s2)CC1 584901148 CWRJGAKJCCMPSW-MRVPVSSYSA-N 299.400 1.222 0 50 CDAA CC[C@@H]1CCCCN1C(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239046605 FTIPGQBYOQOVSG-VEGXAWMVSA-N 281.352 1.656 0 50 CDAA O=C(O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 240530165 NFGNDKAXKRBUDD-MGCOHNPYSA-N 276.292 1.504 0 50 CDAA CC[C@@H](NC(=O)C(C)(C)N1CCOCC1)c1ncc(C)[nH]1 670445994 KOFKCRVQHXVKJI-GFCCVEGCSA-N 294.399 1.396 0 50 CDAA CN(Cc1ccnn1C)C[C@@H]1CC(=O)N(C2CCCC2)C1 670447413 CMTSXURPLMDUKP-ZDUSSCGKSA-N 290.411 1.643 0 50 CDAA CC(=O)NC[C@@H]1CCCN(Cc2nc(C)c(C)n2C)C1 670444605 DKEKVFFQVXHLAY-AWEZNQCLSA-N 278.400 1.385 0 50 CDAA CN(CC(=O)OC(C)(C)C)c1nc2cnccc2n1C 865658446 OLAOBAMVLQUVDQ-UHFFFAOYSA-N 276.340 1.746 0 50 CDAA CS(C)(=O)=Nc1nc(C(=O)N2CCCC2)cs1 1875278408 XGLDASNRBKHWLM-UHFFFAOYSA-N 273.383 1.738 0 50 CDAA Cc1nc2[nH][nH]cc-2c(=NCc2cc(C)c(O)c(C)c2)n1 1875286618 ZZGAGVVWXZYHQF-UHFFFAOYSA-N 283.335 1.969 0 50 CDAA CCN(C)[C@@H]1CCN(c2ccc3nnc(C4CC4)n3n2)C1 1875262418 MTJQYZVBYPLWPY-GFCCVEGCSA-N 286.383 1.532 0 50 CDAA O=C(O)c1cnn(CC(=O)N2C[C@H]3CCCCC[C@H]3C2)c1 1875286678 APKQBFVFQNKEMT-TXEJJXNPSA-N 291.351 1.620 0 50 CDAA CCCN1C[C@@H](NCc2n[nH]c(C)c2Cl)CC1=O 952991930 XPRHFUYWYDVMSX-VIFPVBQESA-N 270.764 1.472 0 50 CDAA Cn1ccnc1CNCCc1cnn(-c2ccccc2)c1 952970675 WGPZUYOECBPFLH-UHFFFAOYSA-N 281.363 1.938 0 50 CDAA CC[C@@H](O)CN1CCC(CNC(=O)C2CCC2)CC1 952968303 FTVKGIVGNNZWAF-CQSZACIVSA-N 268.401 1.386 0 50 CDAA c1cnc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)cn1 1413909006 OUFUEWAOYGTLJN-KBPBESRZSA-N 276.384 1.780 0 50 CDAA O=C(N[C@@H](c1ccncc1)C1CC1)c1cnn2c1OCCC2 890906567 HZJCWCBKJFHNHN-CQSZACIVSA-N 298.346 1.942 0 50 CDAA O=C(NCc1cccc2ncccc12)N[C@@H]1CCNC1 892003578 WRLYREFEAHTMGE-GFCCVEGCSA-N 270.336 1.396 0 50 CDAA CCc1cnc(O)c(C(=O)N[C@H]2C[C@H](N)C23CCC3)c1 1772246941 XQGMEWDQQNDMTO-RYUDHWBXSA-N 275.352 1.349 0 50 CDAA Cc1nc(O)cc(N2CCN(C3CCC3)C[C@@H](C)C2)n1 893960511 VPLXETRXPYEZSI-LLVKDONJSA-N 276.384 1.801 0 50 CDAA c1ccc2nc(N3CC(N4CCOCC4)C3)cnc2c1 894367197 INJQPJJDHDUKPQ-UHFFFAOYSA-N 270.336 1.151 0 50 CDAA CCOC(=O)[C@@H]1CCN(Cc2ccccc2)CC1=O 54009852 JYFGIESQUYQLGM-CYBMUJFWSA-N 261.321 1.641 0 50 CDAA in-vitro CO[C@H]1CCOC[C@@H]1NC(=O)NCc1ccc(C)cc1 1565510544 OKOWIPONDDGCOF-KBPBESRZSA-N 278.352 1.598 0 50 CDAA Oc1nc(Cl)cc(N2CC[C@H](c3ncccn3)C2)n1 1363162121 LBLJOLRBQXPKBR-QMMMGPOBSA-N 277.715 1.620 0 50 CDAA Clc1cnc(N2CCCC[C@H]2c2nc[nH]n2)nc1 408195760 UODXXGJFEKPPIA-VIFPVBQESA-N 264.720 1.980 0 50 CDAA COc1cccc(CN(C)CCN(C)C)c1OC 19606716 IUVZCTFULWKEIB-UHFFFAOYSA-N 252.358 1.697 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](C)CO 86630586 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CC[C@H]1CN(c2ncnc3[nH]ccc23)C[C@@]2(CCOC2)O1 376114302 NEFLCXZECWXSPY-XHDPSFHLSA-N 288.351 1.732 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)Cc2cc(F)ccc2F)C1 237526045 FWHHUIVBZWQLLU-CQSZACIVSA-N 283.274 1.831 0 50 CDAA CC(C)[C@]1(CO)CCN(C(=O)COCC2CC2)C1 378033481 DUNUSYXUGTYYNI-CQSZACIVSA-N 255.358 1.280 0 50 CDAA Cc1cn(-c2c(F)cccc2F)nc1C(=O)N(C)CCO 241161303 JZTLLYYYSRNCQJ-UHFFFAOYSA-N 295.289 1.523 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCNC2)[C@@H](c2ccccc2)CO1 237607821 XKGMPSHIVWERIK-BPLDGKMQSA-N 274.364 1.585 0 50 CDAA CC[C@@H](NCc1cn(-c2ccccc2C)nn1)[C@@H](C)O 449542711 MYFKOPSQDVJLLE-TZMCWYRMSA-N 274.368 1.825 0 50 CDAA Cc1ccnc(N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)n1 284583279 OFACVLOWUYGOSL-NFAWXSAZSA-N 277.368 1.541 0 50 CDAA CNC(=O)C1CN(Cc2ccc(Cl)cc2F)C1 285079570 PQITZFWVNZDREB-UHFFFAOYSA-N 256.708 1.657 0 50 CDAA C[C@H](CNC(=O)c1cnc[nH]c1=O)N(C)c1ccccc1 71752410 DHOKPZQEFPBOOQ-LLVKDONJSA-N 286.335 1.025 0 50 CDAA Cc1cc(C)n(CC(=O)N2C[C@H]3CC=CC[C@H]3C2)c(=O)n1 71762370 PEWOSJWVBPPXPD-OKILXGFUSA-N 287.363 1.285 0 50 CDAA Cc1cc(C)c(C(=O)NC[C@H](C(=O)O)C2CCOCC2)[nH]1 455875598 NMKOLNRWKGHTDD-LBPRGKRZSA-N 294.351 1.489 0 50 CDAA CN1CCN(C(=O)c2cn[nH]c2)C[C@H]1Cc1ccccc1 285690860 AQOKGPPZPMUCLV-OAHLLOKOSA-N 284.363 1.409 0 50 CDAA CC[C@H](C)[C@H](NC(=O)N(C)Cc1ncc[nH]1)C(=O)O 80535059 UXQFWUKKFGRUHD-WPRPVWTQSA-N 268.317 1.050 0 50 CDAA Cc1ccccc1C(=O)NS(=O)(=O)Cc1ccon1 177695790 XQQUDXFJJBCFTO-UHFFFAOYSA-N 280.305 1.243 0 50 CDAA CC(C)Cc1noc(CNC(=O)c2ncc(F)cc2F)n1 220318201 DFQTWVULCKBDKH-UHFFFAOYSA-N 296.277 1.871 0 50 CDAA CN(C)CCOc1ccccc1C(=O)N(C)[C@H]1CCNC1 179071173 LAKDQKFRKFQYMR-ZDUSSCGKSA-N 291.395 1.061 0 50 CDAA Nc1cc(N2CC[C@]3(CCCN(CC4CC4)C3)C2)ncn1 426372114 POVFHYTVHIMIFO-INIZCTEOSA-N 287.411 1.761 0 50 CDAA c1ccc(CCn2ncnc2Cn2cnnc2)cc1 96148495 AVJUNVUCMODSBE-UHFFFAOYSA-N 254.297 1.161 0 50 CDAA C[C@@H]1CCCCN1C1CN(C(=O)c2ncccc2O)C1 95358665 DHULZWFEBYUOLK-LLVKDONJSA-N 275.352 1.486 0 50 CDAA O=C(NCc1ccon1)c1ccc(CN2CCCC2)o1 97636587 PXCYBFVIOIPFGM-UHFFFAOYSA-N 275.308 1.793 0 50 CDAA CN(C)CCNC(=O)N1CCOc2ccc(Cl)cc2C1 426387855 LEMNRVISKJNMLR-UHFFFAOYSA-N 297.786 1.806 0 50 CDAA CS[C@H](C)CNC(=O)N1CCCC[C@H]1CCO 180771763 HVUFZRQWVOGVOU-MNOVXSKESA-N 260.403 1.684 0 50 CDAA O=C1[C@H]2CC[C@H](CN(Cc3c[nH]cn3)C2)N1CC1CC1 95358247 JUCSIEXRLZEDSI-GXTWGEPZSA-N 274.368 1.243 0 50 CDAA CC1CCN(S(=O)(=O)NCC[C@@H]2CCCOC2)CC1 528446233 BBNXGHOGOUAXCE-ZDUSSCGKSA-N 290.429 1.369 0 50 CDAA C[C@@H](c1nc(-c2cccnn2)no1)n1cc(Cl)cn1 95519908 DRVSVTVUEJLHMG-ZETCQYMHSA-N 276.687 1.986 0 50 CDAA COc1ccc(NC(=O)N2CCC(=O)NC[C@H]2C)c(C)c1 96136538 SMTOPMJCWTXDKR-LLVKDONJSA-N 291.351 1.746 0 50 CDAA Cc1c(Cl)c(C(=O)N2CCC(C)(CO)CC2)nn1C 622512267 BKNILWYSBBPJMF-UHFFFAOYSA-N 285.775 1.617 0 50 CDAA C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)Nc1ccnnc1 297516989 XSUSMBBGLSIPGS-AAEUAGOBSA-N 275.356 1.567 0 50 CDAA Cc1cn(C)[nH]c1=NC(=O)N1CCCC(F)(F)CC1 626616749 CBGRKJLDPZZTHD-UHFFFAOYSA-N 272.299 1.804 0 50 CDAA C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)O)c1ccccc1F 299747286 CLLBMAYJIMIWFC-BXKDBHETSA-N 281.283 1.241 0 50 CDAA CCO[C@@H](C)c1nc(C)c(C(=O)N(C)[C@@H]2CCNC2)s1 299740028 USSVKWJDKLVXGE-WDEREUQCSA-N 297.424 1.983 0 50 CDAA Cc1cc(-c2cc(C(=O)N3CCN(C)CC3)ccn2)n[nH]1 534670806 ISXJMRPNTCKXHY-UHFFFAOYSA-N 285.351 1.168 0 50 CDAA CN(C)C1(CNC(=O)C[C@H]2CCOC2)CCCC1 352161330 BCDGHTIAPKXAMI-GFCCVEGCSA-N 254.374 1.404 0 50 CDAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc(F)c(O)c1 534632370 OJHVZNUGINKJPZ-STQMWFEESA-N 294.326 1.124 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)NCCc1ncc[nH]1 534667848 YOEAGDNUAISDDY-UHFFFAOYSA-N 259.313 1.291 0 50 CDAA CC(=O)N(C[C@H]1CCCN1C(=O)Cc1ccoc1)C1CC1 548351896 MJTAJBKEVCPYAX-OAHLLOKOSA-N 290.363 1.824 0 50 CDAA O=C(NCc1ccc2sccc2c1)[C@@H]1COCCO1 291272466 QIQVNKTUIBFPDH-LBPRGKRZSA-N 277.345 1.933 0 50 CDAA Cc1nonc1CC(=O)NCCc1nc(C(C)C)cs1 299776354 JZNFDMYEUJYOAT-UHFFFAOYSA-N 294.380 1.859 0 50 CDAA COCC[C@H]1CN(Cc2cnc(C)nc2)CCO1 824384167 WEULSSQSXAPRQS-ZDUSSCGKSA-N 251.330 1.022 0 50 CDAA O=C(NCC1CCN(Cc2ncc[nH]2)CC1)c1ccon1 828228713 DQMSAUVMQJQJQJ-UHFFFAOYSA-N 289.339 1.040 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1ccc2c(c1)CCCO2 824506842 SZJQCBYEOPHYFC-JSGCOSHPSA-N 277.320 1.155 0 50 CDAA CCCCC[C@H](C)NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239165113 NLROVRSIEBLLOY-QWQWKMKNSA-N 283.368 1.950 0 50 CDAA O=C1C[C@H](C(=O)Nc2ccc3nc(S)oc3c2)CN1 163559832 TZQHXBNMURJXCZ-LURJTMIESA-N 277.305 1.191 0 50 CDAA NC[C@@H]1CNC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 757218610 VHILDOGCIBXCCO-GWOFURMSSA-N 265.323 1.101 0 50 CDAA Cc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nc(N)n1 1548513697 OTPHTISAIWNVGO-LLVKDONJSA-N 299.382 1.747 0 50 CDAA Cc1ncccc1C(=O)NC[C@@H]1CCO[C@@H]1c1nc[nH]n1 952889188 YIPYQBNCXDAGKD-JQWIXIFHSA-N 287.323 1.016 0 50 CDAA C[C@@H]1CN(C[C@@H](O)Cn2cccn2)CCN1C1CCCC1 952884274 WVZKDIBFAUUOIR-GDBMZVCRSA-N 292.427 1.193 0 50 CDAA CC[C@@H](C)n1nccc1C(=O)N=c1cc(C)nc(OC)[nH]1 1875276093 NRCQXFYWARNAPF-SNVBAGLBSA-N 289.339 1.635 0 50 CDAA O=C(C[C@@H]1C[C@H](F)CN1)Nc1ccc2c(=O)[nH]ccc2c1 1875287704 WGHXWOHGOQZXNQ-JQWIXIFHSA-N 289.310 1.557 0 50 CDAA Cc1ccc(F)cc1SC[C@H](O)[C@@]1(O)CCOC1 1875279326 RMOGEPOTXCPFPQ-QWHCGFSZSA-N 272.341 1.739 0 50 CDAA COC(=O)c1cc2c(NCC3CCC3)ncnc2[nH]1 1875286223 KWOZAWQGUBACLU-UHFFFAOYSA-N 260.297 1.957 0 50 CDAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)c1csc(C2CC2)n1 1875310980 IITUORUQOZFTME-RGOKHQFPSA-N 292.360 1.860 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H]1CSc2ccccc21 1875333359 PPBXIVLIRPYLOM-ZPMKCOPCSA-N 277.345 1.721 0 50 CDAA O=C(Nc1ccc(NC2CCC2)nc1)[C@@H]1C[C@H]2CNC[C@H]21 1875326753 IZNWUCAQOJLECY-ZLKJLUDKSA-N 286.379 1.840 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)CCn2cnnc2)C1 952971157 MORYJCSXQFUDAX-GFCCVEGCSA-N 266.345 1.086 0 50 CDAA C[C@@H]1CCN1C(=O)c1ccccc1N1CCOCC1 881483162 ZEAXHUFLNOXCAV-GFCCVEGCSA-N 260.337 1.758 0 50 CDAA C[C@@H](NC(=O)CCCN1CCCC1=O)C(F)(F)F 952989200 HYBBGIWSHMNNTI-MRVPVSSYSA-N 266.263 1.456 0 50 CDAA Cc1cc(CN(C)Cc2cnc3n2CCOC3)no1 891670590 KILFSPAZGSXWCC-UHFFFAOYSA-N 262.313 1.342 0 50 CDAA CS(=O)(=O)C1(CNc2n[nH]c(C3CCC3)n2)CCC1 1776005695 HSZWPIGECZRVQR-UHFFFAOYSA-N 284.385 1.451 0 50 CDAA O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCC(Cn2ccnn2)CC1 1361564402 AAJWDIADRKBPHB-MCIONIFRSA-N 290.367 1.084 0 50 CDAA CCS(=O)(=O)C[C@H](C)Nc1cnc2c(c1)c(C)nn2C 134845547 PGPIJFVIZDDZDN-VIFPVBQESA-N 296.396 1.512 0 50 CDAA CO[C@H](C)CS(=O)(=O)NC1CCC(F)(F)CC1 408433080 RVJZUKLIENYLNI-MRVPVSSYSA-N 271.329 1.519 0 50 CDAA CC(C)Cc1nsc(N2Cc3c(n(C)[nH]c3=N)C2)n1 408524291 RZZFEFOYEOZEJL-UHFFFAOYSA-N 278.385 1.403 0 50 CDAA COCC(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 582720001 UYBRTCCJHKQWQQ-UHFFFAOYSA-N 278.356 1.511 0 50 CDAA COC1CC(C(=O)NC[C@H](C(=O)O)c2ccc(F)cc2)C1 630178904 XAYSECXQKDMSMI-GDKBPFBDSA-N 295.310 1.535 0 50 CDAA O=C(N=c1cc[nH]cc1)c1ccnn1CC1CCC1 630574818 TZSQQXWCECFHOB-UHFFFAOYSA-N 256.309 1.752 0 50 CDAA CC(C)(C)n1cc(CNc2ccc3c(c2)C(=O)NC3)nn1 276596913 FPUCVEHCXCZZSG-UHFFFAOYSA-N 285.351 1.889 0 50 CDAA CN(Cc1ccccn1)C(=O)c1ccn([C@@H]2CCCNC2)n1 276840300 IQOMANOEZHGBJA-CQSZACIVSA-N 299.378 1.475 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(c2ccnc3c(F)cccc23)C1 583617324 MGBRPOHVURMXQB-WDEREUQCSA-N 276.311 1.960 0 50 CDAA O[C@@H]1CN(c2ccnc(N3CCCCC3)n2)CC12CC2 548286252 WVEBTAZOWHQSIW-GFCCVEGCSA-N 274.368 1.428 0 50 CDAA CCS(=O)(=O)Nc1c(C(F)(F)F)nn(C)c1Cl 585129724 TWORMYQUQKFBSK-UHFFFAOYSA-N 291.682 1.854 0 50 CDAA CC(C)(C)n1cnc(C(=O)Nc2cnn3ccccc23)n1 585129014 USTZICKGYYGSMD-UHFFFAOYSA-N 284.323 1.933 0 50 CDAA CCc1cnc(CC(=O)N2CCOC[C@H](C3CCC3)C2)[nH]1 635973493 PUOOUZBLSISQNE-CYBMUJFWSA-N 291.395 1.790 0 50 CDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1cc[nH]c1 739721152 BZHIKVDJVJZXDE-NSHDSACASA-N 266.297 1.111 0 50 CDAA O=C(NC1(c2nnc[nH]2)CCC1)c1cc(-c2ccco2)on1 190378882 YSKRVGUCHWZFJK-UHFFFAOYSA-N 299.290 1.862 0 50 CDAA C[C@@H]1CN(C(=O)Nc2ccc(Cl)cn2)C[C@H](CO)O1 190831068 ROMHWOJUYGRDGR-PSASIEDQSA-N 285.731 1.349 0 50 CDAA Cc1cc(N2CCC[C@](O)(CC(=O)N(C)C)C2)ccn1 643718642 BUBHNIXRRGWSQS-HNNXBMFYSA-N 277.368 1.200 0 50 CDAA C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1CO 191808628 XILFPYVTUDEWTC-BDAKNGLRSA-N 255.264 1.665 0 50 CDAA C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc2cn[nH]c2c1 192055048 LLOYQCBPESDRQM-LLVKDONJSA-N 293.392 1.572 0 50 CDAA CCc1c(-c2ccncc2)n[nH]c1NC(=O)[C@@H](C)C(=O)O 647127565 VGIUMOWEEFKRJD-MRVPVSSYSA-N 288.307 1.693 0 50 CDAA NC(=O)[C@H]1CCCN1CCSCc1ccccc1 192618766 IROMJZHYWBRQPD-CYBMUJFWSA-N 264.394 1.870 0 50 CDAA Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CO)[C@H](O)C1 192659363 SJCSTYKKMZIDDX-GXFFZTMASA-N 283.755 1.464 0 50 CDAA C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1cnccn1 193292868 YHFKUSCHQIVKIE-LLVKDONJSA-N 290.367 1.890 0 50 CDAA C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC(=O)N1 651127524 FSFNRRGTMZWTGC-MRVPVSSYSA-N 291.738 1.782 0 50 CDAA CNC(=O)[C@@]1(C)CCN(C(=O)c2cn(C(C)C)nc2C)C1 653775772 HWYUUQANTKEBBW-HNNXBMFYSA-N 292.383 1.371 0 50 CDAA O=C(N[C@H](CO)CC1CC1)c1cc2cccnc2[nH]1 665412750 VTSKFUBECWNHRE-NSHDSACASA-N 259.309 1.454 0 50 CDAA O=S(=O)(N1CCCCC1)N1CC(c2ccncc2)C1 1506396507 UUKHBLVXDILYLW-UHFFFAOYSA-N 281.381 1.212 0 50 CDAA CC(C)NC(=O)c1ccnc(N(C)C[C@H]2CCCO2)c1 1506429716 XBRYRHPCNVOZNT-CYBMUJFWSA-N 277.368 1.835 0 50 CDAA COCCn1cnnc1CN(C)Cc1noc(C(C)C)n1 1529190389 IDEWLQCHLZIQNT-UHFFFAOYSA-N 294.359 1.063 0 50 CDAA CCS(=O)(=O)Cc1noc([C@@H]2CCC[C@H]2C)n1 408223931 FTUSWUXXYZAMRH-RKDXNWHRSA-N 258.343 1.908 0 50 CDAA C=CC(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1120461383 ZZTIMLWCWGLZPP-JTQLQIEISA-N 254.330 1.688 0 50 CDAA O=[S@@](O)c1cccc(S(=O)(=O)N2CCCC2)c1 125986413 NGMBOGKPOSXPOS-UHFFFAOYSA-N 275.351 1.052 0 50 CDAA in-vitro Cc1nc(C)c(S(=O)(=O)N2CCC(CN)CC2)s1 237609624 RRKFHOLLTBYGJS-UHFFFAOYSA-N 289.426 1.119 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCC2(CC1)N=N2 1875300464 DGFZBHRGAWSHKF-UHFFFAOYSA-N 273.296 1.458 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2cnc(C)c(C)c2)CC[C@@H]1O 1704306544 OKGIUARXHWBHLW-QLFBSQMISA-N 292.379 1.491 0 50 CDAA C/C=C/C(=O)NC(=S)Nc1ccccc1C(=O)OC 2173638 QQTKLXORENMCII-ZZXKWVIFSA-N 278.333 1.862 0 50 CDAA NC[C@H](C(=O)N1CCn2nccc21)C1CCCCCC1 1615547734 PQUBZJPZGLGISV-ZDUSSCGKSA-N 276.384 1.775 0 50 CDAA CC(C)N1C[C@H](CN(C)CCc2cnn(C)c2)CCC1=O 1772805506 MKHXSMPEUFRALM-HNNXBMFYSA-N 292.427 1.541 0 50 CDAA CN(CC1CCOCC1)C[C@@H]1CCC(=O)N(C)C1 1772807653 QOQKBYQMYLSWLM-ZDUSSCGKSA-N 254.374 1.213 0 50 CDAA C[C@]12C[C@@H]1CN(S(=O)(=O)c1cccc3c1OCCO3)C2 1775979723 OLKNSNLEFITYBM-QMTHXVAHSA-N 295.360 1.488 0 50 CDAA COC(=O)[C@H]1CCC(=O)N1C(=O)/C=C/c1ccccc1 5669636 OKXBQWAUDSUFQT-YPUOHESYSA-N 273.288 1.390 0 50 CDAA COc1ccccc1C(=O)N1CCOC12CCN(C)CC2 13729172 XPAZDCZIKNJBOX-UHFFFAOYSA-N 290.363 1.590 0 50 CDAA COCCNCC[C@@H]1CCC(=O)N1CCC(C)C 14967197 AJJUPKDVXIWFEI-ZDUSSCGKSA-N 256.390 1.650 0 50 CDAA O=C(Cc1cc[nH]n1)NCc1ccc2c(c1)CCCO2 1857683416 SQEJLTGIKPDDDN-UHFFFAOYSA-N 271.320 1.594 0 50 CDAA O=C(Cn1cnnc1)N1CCCC[C@@H]1c1ccccn1 1857696224 SFCSADJZADILMD-CYBMUJFWSA-N 271.324 1.427 0 50 CDAA CN1CCc2cc(-c3ccc(-c4nccn4C)nn3)cnc21 1875249546 ADFIRXQJZRFNKY-UHFFFAOYSA-N 292.346 1.931 0 50 CDAA O=C(O)c1cncnc1[C@H]1CN(Cc2ccccc2)CCO1 306131205 JYOQCODVRRQKBB-CQSZACIVSA-N 299.330 1.748 0 50 CDAA CCOP(=O)(OCC)On1nnc2ccccc2c1=O 2573666 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CCC(C)(C)CN1CC[C@@H](N2CCCS2(=O)=O)C1 1875273910 FNPXEYDDONIDLP-GFCCVEGCSA-N 274.430 1.532 0 50 CDAA C[C@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc(Cl)n(C)n1 1875279226 HELJCPVSVRYERD-JGVFFNPUSA-N 285.731 1.399 0 50 CDAA Cc1cccc2nc(C(=O)NC3(c4nc[nH]n4)CCC3)cn12 1116902389 LNZYQNUACLHFIV-UHFFFAOYSA-N 296.334 1.570 0 50 CDAA O=C(Nc1cnns1)N[C@@H]1CCOC12CCCC2 930998413 NQXPRPITMVGHMD-MRVPVSSYSA-N 268.342 1.761 0 50 CDAA Cc1cc(N(C)Cc2cc(=O)n3cc(C)sc3n2)n[nH]1 931566940 JGDPMOFCOBQKEJ-UHFFFAOYSA-N 289.364 1.732 0 50 CDAA CN(Cc1cncn1C)C[C@H]1Cc2ccccc2O1 216505902 KAQZPVSHGMKJPX-CQSZACIVSA-N 257.337 1.856 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccnc2ccccc12 222250930 FAWVXMHEDCQUGK-ZIAGYGMSSA-N 272.304 1.114 0 50 CDAA CC(=O)c1cccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 4339177 SWFDPZCJYXUATF-NSHDSACASA-N 295.360 1.653 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 237888790 VNDCTYLDVDLZNF-IACUBPJLSA-N 276.384 1.981 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)CCc3cccs3)C[C@@H]12 195562262 ZIGZRERIIHCQSD-CYZMBNFOSA-N 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Cc1nn(C)cc1CC(=O)N1CCc2ncccc21 888142483 YEEZHMOVKYQFGO-UHFFFAOYSA-N 256.309 1.255 0 50 CDAA CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@H]1N2C 57988506 PIJVFDBKTWXHHD-ZFWWWQNUSA-N 275.352 1.774 0 50 CDAA biogenic,investigational Cc1ncccc1CN1CCN(c2cnccn2)CC1 19791263 OPWGIQNINKHYHY-UHFFFAOYSA-N 269.352 1.502 0 50 CDAA C[C@@H]1C[C@H](NC[C@H](n2cncn2)C(F)(F)F)CCO1 631211100 QTSYKAWUGTYRAC-BBBLOLIVSA-N 278.278 1.539 0 50 CDAA CCN(C#N)CCN(C)CC(=O)Nc1c(C)cccc1C 600863007 GGTSYJRSFTXPKQ-UHFFFAOYSA-N 288.395 1.977 0 50 CDAA C[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCN1 188430666 HTGWTNZWVXZGMW-DOMZBBRYSA-N 274.364 1.511 0 50 CDAA CN(C(=O)[C@@H]1COc2cc(F)ccc2C1)C1(CN)CCC1 638261714 ISLOXWIVNLSSRF-LBPRGKRZSA-N 292.354 1.717 0 50 CDAA Cc1cnccc1N1CCC[C@](O)(CC(=O)N(C)C)C1 643719237 XBZQTMRVWHAXKX-HNNXBMFYSA-N 277.368 1.200 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1c(C)coc1C 643946716 HPZMXTMZAYCGLG-OAHLLOKOSA-N 294.351 1.264 0 50 CDAA CC[C@H](C)NC(=O)CCSc1ncnc2[nH]cnc12 585089451 NTIAOKCFBMZJDH-QMMMGPOBSA-N 279.369 1.750 0 50 CDAA O=C(NCc1nccs1)[C@@H]1CC[C@@H]2CCCCN21 585122140 OMFJSSWRPHVFCR-QWRGUYRKSA-N 265.382 1.776 0 50 CDAA O=C(NC[C@@H]1CCCC[C@H]1O)Nc1cnns1 192330689 KBOCDOLLVVEMSL-JGVFFNPUSA-N 256.331 1.211 0 50 CDAA NCc1nc(-c2ccc(NC(=O)C3[C@H]4CCC[C@H]34)cc2)n[nH]1 193334072 BIAMJQRFWTVMFC-RYUDHWBXSA-N 297.362 1.915 0 50 CDAA CO[C@@H](CC(=O)N1CCC[C@@H](C(=O)O)C1)C(F)(F)F 652050534 FNNDSBUYPYHLFA-SFYZADRCSA-N 283.246 1.277 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)c(F)c1 195544560 CPTNCKMMCALMKZ-JQWIXIFHSA-N 286.372 1.540 0 50 CDAA C[C@@H]1CN(Cc2nnc([C@H]3CCCOC3)o2)C[C@]1(C)CO 662143654 PYCGHAHILSAYJA-TYNCELHUSA-N 295.383 1.414 0 50 CDAA CC[C@H](C)NC(=O)N1CCC2(CC1)CC(=O)N(C)CCO2 1857688482 MGCUWTRFCNXLKP-LBPRGKRZSA-N 297.399 1.208 0 50 CDAA Cn1nc(-c2ccccc2)c2c1CCN(CCO)CC2 1857709731 ODTVUHKWFQGGNR-UHFFFAOYSA-N 271.364 1.480 0 50 CDAA CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1 449258 XZMIXWYSAYXQPU-UHFFFAOYSA-N 276.244 1.952 0 50 CDAA biogenic CN(C(=O)[C@@H]1CC[C@H](C(=O)O)C1)C1CCOCC1 234243448 RJSYCGKAOWGXEA-ZJUUUORDSA-N 255.314 1.125 0 50 CDAA Cc1cc(N2CC[C@H](NCCC(C)C)C2=O)n(C)n1 236738644 LDDMCKZUOSFGEJ-LBPRGKRZSA-N 264.373 1.470 0 50 CDAA O=C(OCC1CCCCC1)N1CC(OCCO)C1 1615415283 DJCFMIJLRDJOCW-UHFFFAOYSA-N 257.330 1.396 0 50 CDAA Cc1nc(N)nc(N[C@H]2CCC[C@@H]2N(C)C)c1Cl 1615751270 TYQZNCRMIZELPM-IUCAKERBSA-N 269.780 1.915 0 50 CDAA COC(=O)C1=CC[C@@H](Nc2nc(C)c(C(=O)OC)s2)C1 1616035759 FPLLMWRDSUAQRX-SECBINFHSA-N 296.348 1.912 0 50 CDAA COc1nc(N2CCN(C(=O)C3CCC3)CC2)ncc1F 1772703000 AWTOHGUYISGFFB-UHFFFAOYSA-N 294.330 1.073 0 50 CDAA CCC(=O)Nc1ccc(NC(=O)/C=C/C(=O)O)cc1 12403837 YNVCXVONGMHDMV-BQYQJAHWSA-N 262.265 1.614 0 50 CDAA CCN(CC)c1ncccc1CNC(=O)c1cnc(C)cn1 12714386 CXABDFNZDWXCQK-UHFFFAOYSA-N 299.378 1.956 0 50 CDAA COc1cccc(C(=O)NCCCn2ccnc2)c1OC 13745503 AVXSTIGKDGAISZ-UHFFFAOYSA-N 289.335 1.720 0 50 CDAA CCCCNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 16625333 KKFZIGAYOGMJOT-VXGBXAGGSA-N 278.352 1.244 0 50 CDAA COC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 16698162 ZAMPPXRQKCGWGE-SECBINFHSA-N 259.302 1.185 0 50 CDAA O=C([C@H]1CCCO1)N1CCc2[nH]nc(C3CC3)c2CC1 1857672670 WOOQRFSTPQSXFV-CYBMUJFWSA-N 275.352 1.393 0 50 CDAA Cc1nc(O)c2c(n1)CN(c1nc(C)nc3cc[nH]c13)CC2 1857695108 UMRGJWKPESOJTF-UHFFFAOYSA-N 296.334 1.633 0 50 CDAA O=C(NCc1cnc2c(c1)CNCC2)c1ccc(F)cc1 1857707205 IHCKEZXQVJDCOS-UHFFFAOYSA-N 285.322 1.796 0 50 CDAA O=C([C@@H]1CC=CCC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 229563355 SZMNVPYDQGFHHK-ILXRZTDVSA-N 278.396 1.400 0 50 CDAA O=C(O)c1ccc(CN2CCN([C@H]3CCOC3)CC2)cc1 662224150 BWWSDSZLYUDFQU-HNNXBMFYSA-N 290.363 1.291 0 50 CDAA Cc1ccc(S(N)(=O)=O)cc1Br 15021338 CFMBNGJNYNLPDL-UHFFFAOYSA-N 250.117 1.405 0 50 CDAA in-vitro CN1CC[C@@H]2CN(C(=O)c3cc(-c4cccn4C)n[nH]3)C[C@@H]21 248127344 MAIJUXDSRGSPOK-ABAIWWIYSA-N 299.378 1.191 0 50 CDAA CC(C)(COCc1ccccc1)NC(=O)[C@H]1CCC(=O)N1 252478276 AHXNRIYBNPJECA-CYBMUJFWSA-N 290.363 1.377 0 50 CDAA O=Cc1ccc(OCCCCN2CCOCC2)cc1 20326114 OKSBZUFSSUJIAN-UHFFFAOYSA-N 263.337 1.990 0 50 CDAA in-vitro C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1ccc2nccnc2c1 263454112 AJTJOWSYSLVJOD-PWSUYJOCSA-N 299.330 1.955 0 50 CDAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)CCNC(C)C)CC2 161890479 CFVXIRSNAVAVEC-KBPBESRZSA-N 298.427 1.153 0 50 CDAA Cc1cc(C)nc(C(=O)NCCn2cnc(C(=O)O)c2)c1 385877160 OZZPDQAWTTTZHM-UHFFFAOYSA-N 288.307 1.023 0 50 CDAA O=C(N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)C1CSC1 912202109 HPSXTRLPMDJOLV-NWDGAFQWSA-N 285.409 1.176 0 50 CDAA O=C(N[C@H](Cc1ccccc1)c1nc(O)n[nH]1)C1CC1 827696066 WHOXTSJTSJWBTI-LLVKDONJSA-N 272.308 1.320 0 50 CDAA COc1cc(C(=O)Nc2ccc3nc(O)[nH]c3c2)ccn1 1115852001 CAACAKLWZFRHKX-UHFFFAOYSA-N 284.275 1.924 0 50 CDAA Nc1cc(C(=O)N[C@@H]2CCCN(C3CCCC3)C2)n[nH]1 218932127 WVAWPCXEKRIIHI-SNVBAGLBSA-N 277.372 1.129 0 50 CDAA CC(C)C[C@@H](CN)NS(=O)(=O)N(C)C1CCCCC1 111829875 ZUGBBWPTYCMJNJ-LBPRGKRZSA-N 291.461 1.459 0 50 CDAA CN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1=O 228047400 HTAHUSUWHXBPHS-UHFFFAOYSA-N 271.320 1.472 0 50 CDAA Cc1ccc(C(=O)NC2(CC(=O)O)CCOCC2)o1 119483217 QGRMJNLLTBUNRB-UHFFFAOYSA-N 267.281 1.342 0 50 CDAA CCC(N)(CC)CNS(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 130051735 KPDXNTGDERSZJA-VXGBXAGGSA-N 291.461 1.316 0 50 CDAA O=C1[C@H](N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CCN1C1CC1 252517640 NSQUBYSQBRZJRW-SYQHCUMBSA-N 264.369 1.297 0 50 CDAA C[C@@H]1CC[C@H](NC[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C 253370409 QKFKGEZVYFDTDN-SYQHCUMBSA-N 288.457 1.682 0 50 CDAA CCCO[C@H]1CCCN(C(=O)c2ncccc2O)C1 42425315 MERNFBPQFGZIEW-NSHDSACASA-N 264.325 1.818 0 50 CDAA O=C(O)CC[C@H]1CCCCN1S(=O)(=O)c1ccco1 277232585 JGFFNGDGSFXVPE-SNVBAGLBSA-N 287.337 1.688 0 50 CDAA COCC[C@@H](CO)NC(=O)c1ccc2ncsc2c1 281662740 OKIMQUFLANSXKX-JTQLQIEISA-N 280.349 1.424 0 50 CDAA C[C@H]1CN(C(=O)COc2cccc(F)c2)C[C@@H](C)N1 179163490 AXWHKRUYDLJJCE-PHIMTYICSA-N 266.316 1.413 0 50 CDAA CCc1nnc(CN2CCO[C@H]3CCN(C)C[C@H]32)s1 328590968 RWVQRGUSPMUIRC-MNOVXSKESA-N 282.413 1.005 0 50 CDAA C[C@H]1CN(Cc2csc(C3CC3)n2)S(=O)(=O)C1 329635400 XVIRHKXPERPUTK-QMMMGPOBSA-N 272.395 1.802 0 50 CDAA O=C(c1ccc(Cl)cc1F)N1CCO[C@H]2CNC[C@H]21 376401269 YSKRSKRKAKEFCW-NEPJUHHUSA-N 284.718 1.292 0 50 CDAA Cn1ncc(CNC(=O)OC2CCCC2)c1C(=O)O 719099299 GHUKOMGVVJMUAG-UHFFFAOYSA-N 267.285 1.287 0 50 CDAA CCc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)s1 952980937 LLMKMLCZMPWJSF-RKDXNWHRSA-N 279.358 1.014 0 50 CDAA Cc1nc(C)c(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)[nH]1 2325757811 SNEHWSXEHKNFLN-NSHDSACASA-N 298.346 1.882 0 50 CDAA N[C@H]1[C@@H]2CN(C(=O)CSCC(=O)c3ccccc3)C[C@H]12 2325774983 ODGPMNJNZOLXRF-JYAVWHMHSA-N 290.388 1.018 0 50 CDAA Cc1ncc(C(=O)N2CC(Oc3ccc(F)cc3)C2)[nH]1 2325786824 HLJIZRASIIYEKL-UHFFFAOYSA-N 275.283 1.761 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CC[C@H](c3nc(=O)o[nH]3)C2)c(C)o1 2325821872 ITEUQNKEWUOCKR-VHSXEESVSA-N 291.307 1.639 0 50 CDAA Cc1c(CC(N)=O)c(=O)oc2cc(O)c(Cl)cc12 82387 AVOBVRWKWQPIIZ-UHFFFAOYSA-N 267.668 1.488 0 50 CDAA O=S1(=O)C=C[C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]21 1121236 JHYSGQGAIVEWQD-ONGXEEELSA-N 269.709 1.754 0 50 CDAA Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1 2015928 MCGSCOLBFJQGHM-SCZZXKLOSA-N 286.339 1.092 0 50 CDAA fda COc1ccc(-c2cnc(NC(=O)c3[nH]nnc3C)[nH]2)cc1 2356136087 GFXLMHYAVAEART-UHFFFAOYSA-N 298.306 1.764 0 50 CDAA Cn1nccc1CN1CCC[C@]12CCCN(C1CC1)C2=O 2356152554 PGCYOLGRYMWARV-MRXNPFEDSA-N 288.395 1.540 0 50 CDAA O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCCC1 4833131 WTPDEQSAPVJZSP-GFCCVEGCSA-N 258.321 1.662 0 50 CDAA C[C@@H](NS(=O)(=O)c1cccs1)[C@@H]1CCCO1 6727638 QVFXCIKTKNNRPY-BDAKNGLRSA-N 261.368 1.594 0 50 CDAA CCC[C@@H](N=c1nc(O)c2cnn(C)c2[nH]1)C1CCC1 413455010 RLDVTQUFPSFJOH-LLVKDONJSA-N 275.356 1.872 0 50 CDAA O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1C[C@H]1C(=O)O 226898161 JIMYMPFKVLLXHQ-UYXSQOIJSA-N 279.258 1.944 0 50 CDAA CCN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O 9429730 VWAXENHJDCTCEP-UHFFFAOYSA-N 280.349 1.310 0 50 CDAA CC(C)c1noc(CSc2nnc(N)s2)n1 20909441 APQSPYATMMMUTP-UHFFFAOYSA-N 257.344 1.919 0 50 CDAA CCn1cc(C(=O)NCc2ccc(O)c(OC)c2)c(C)n1 65422125 MBHXPPYUSISMLV-UHFFFAOYSA-N 289.335 1.856 0 50 CDAA CN(c1cccc(C(=O)N2CCCC2)c1)S(C)(=O)=O 65364055 UZDGKXQZFTZXES-UHFFFAOYSA-N 282.365 1.318 0 50 CDAA CCN(CC)C(=O)[C@@H]1CCCN(c2nccc(NC)n2)C1 65376554 AJBNKRNXXWJCMI-GFCCVEGCSA-N 291.399 1.603 0 50 CDAA CC(=O)NC(C)(C)c1noc(CCc2c(C)noc2C)n1 330764324 RLISBHVIHXCFML-UHFFFAOYSA-N 292.339 1.831 0 50 CDAA CCc1nnc(CNC(=O)c2c(C)noc2C)s1 219347053 WIYHZQYHUPKRQB-UHFFFAOYSA-N 266.326 1.635 0 50 CDAA C[C@@H]1CNCCN1C(=O)/C=C/c1ccc(-n2ccnc2)cc1 124469841 NSQVXHDSSXLMRW-BTKRWWFXSA-N 296.374 1.706 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c(C)o1 365380750 PRELPSZDMKHGBI-LBPRGKRZSA-N 291.351 1.526 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2cnc3ccccn23)[nH]n1 71736336 BYKLDFBBEHUPFP-SNVBAGLBSA-N 283.335 1.727 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCn1ccnc1C 215188235 IEWPMLRANIYWNX-SECBINFHSA-N 275.356 1.799 0 50 CDAA Cn1nnnc1CSc1ccccc1C(=O)O 218251110 ZZEBANYKFZDJNY-UHFFFAOYSA-N 250.283 1.201 0 50 CDAA CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1 32744450 WVUJHAKOHWKIDU-UHFFFAOYSA-N 290.429 1.353 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccoc2Cl)N(C)C1 284488062 BSMDLVZHEFHWQR-UWVGGRQHSA-N 286.759 1.724 0 50 CDAA O=C(N[C@H]1CCN(Cc2ccc(CO)cc2)C1)C1CCC1 375829297 IXQSFDBTILUWBN-INIZCTEOSA-N 288.391 1.670 0 50 CDAA Cc1nnc(CN(C)Cc2ccc(-c3nn[nH]n3)cc2)o1 215451751 YVLIDXQISLZPMS-UHFFFAOYSA-N 285.311 1.190 0 50 CDAA CN1CN(Cc2cc(-c3ccccc3)on2)CC1=O 335939888 KGCCCXZYWJQJOE-UHFFFAOYSA-N 257.293 1.573 0 50 CDAA Cc1cnc2c(C)cccc2c1N1CCC[C@](O)(C(N)=O)C1 284710251 UATXZXXZJUUDKD-QGZVFWFLSA-N 299.374 1.668 0 50 CDAA CN(C)c1ncc(CN[C@H]2CCO[C@@H]2c2cccnc2)cn1 284998585 LVAOBXJKKLEQQR-LSDHHAIUSA-N 299.378 1.557 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)N1CC2(CC2)c2ccccc21 239782544 COZZUQYZXCJPPG-ZJUUUORDSA-N 257.289 1.786 0 50 CDAA NC(=O)CN1CCC[C@H](CCc2ccc(F)cc2)C1 72130879 NJJKMCDZIZHKCV-CYBMUJFWSA-N 264.344 1.956 0 50 CDAA O=C(NCc1ccsc1)c1cnc2ccccn2c1=O 42930329 YNYCVLXFOBCYOB-UHFFFAOYSA-N 285.328 1.686 0 50 CDAA COc1ccc(F)c(F)c1C(=O)N1CC[C@@H](CN)C1 222606936 BXGINUXHCBGQLZ-QMMMGPOBSA-N 270.279 1.394 0 50 CDAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 229816067 PUXNVIYZQBQORD-MQYQWHSLSA-N 283.283 1.332 0 50 CDAA Cc1c(CCC(=O)N2CCCO[C@H](C(C)C)C2)cnn1C 342126152 LTHHRFYBTAJHEB-HNNXBMFYSA-N 293.411 1.935 0 50 CDAA CCOc1ccc(C(=O)N[C@@H](CC)C2CC(O)C2)o1 223620333 NOTUKEUEKZUEQB-ILDUYXDCSA-N 267.325 1.958 0 50 CDAA CC(C)c1cc(C(=O)NCCSc2cn[nH]n2)n(C)n1 82166717 AEKOTUGZPGRZPJ-UHFFFAOYSA-N 294.384 1.184 0 50 CDAA O=C(c1cc(OCC(F)F)ccn1)N1CCC12COC2 615923865 QIJFHDWNXTXLLJ-UHFFFAOYSA-N 284.262 1.340 0 50 CDAA Cn1cc(-c2nc([C@H]3CCC(F)(F)C3)no2)nn1 289027681 GBFRELQGWPWEMD-LURJTMIESA-N 255.228 1.768 0 50 CDAA Cn1ncc(NC(=O)Cn2ccc(-c3cccs3)n2)n1 48356897 SDUGKTGQWDBQTR-UHFFFAOYSA-N 288.336 1.379 0 50 CDAA Cc1cc(C(=O)NCCc2ccncc2)c(=O)n(C)c1C 426493200 OHGMNAJOSPIVBV-UHFFFAOYSA-N 285.347 1.370 0 50 CDAA O=Cc1ccc(OCC(=O)N2C[C@H]3CC[C@H]2C3)cc1 263915169 WXFYBPIYTUJJOD-STQMWFEESA-N 259.305 1.889 0 50 CDAA C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N[Si](C)(C)N1 195762497 FIADVASZMLCQIF-UHFFFAOYSA-N 292.684 1.166 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@@H](CN)C1 178573080 IEQFQLDVHALIPQ-VIFPVBQESA-N 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297.311 1.235 0 50 CDAA CN1CCC(N2CCN(Cc3nccs3)CC2)CC1 216313531 XDVOHIURNWJPAV-UHFFFAOYSA-N 280.441 1.355 0 50 CDAA CC(C)c1cccc(OCC(=O)N2CC[C@@H](N)C2)c1 236794868 PFJVMFCOSPBZBO-CYBMUJFWSA-N 262.353 1.748 0 50 CDAA CC1(C)CN(C(=O)CCN)CCN1Cc1ccccc1 236911369 DOLDYOBEIFWBIQ-UHFFFAOYSA-N 275.396 1.458 0 50 CDAA NC[C@@H]1CCCCN1C(=O)c1cccc2cn[nH]c12 237848062 WEASEYWZWGECSN-NSHDSACASA-N 258.325 1.516 0 50 CDAA COc1ccccc1N1CCN(Cc2cnc[nH]2)CC1 167042723 ZEFUISLWHXUOGG-UHFFFAOYSA-N 272.352 1.741 0 50 CDAA CNc1cnc(C(=O)N2CCOC3(CCCC3)C2)cn1 626153528 LIHBQLJWKHKTBP-UHFFFAOYSA-N 276.340 1.304 0 50 CDAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)Cc1cccs1 92777917 QUSMHUZDZBNODX-NSHDSACASA-N 291.332 1.052 0 50 CDAA CCCN1CC[C@H](NS(=O)(=O)c2ccccc2F)C1 390108380 BKUXTAXSYFVJOH-NSHDSACASA-N 286.372 1.588 0 50 CDAA COCC(COC)n1ncc2c(F)ccc(F)c2c1=O 899357167 DOPJVATYPRMYRU-UHFFFAOYSA-N 284.262 1.509 0 50 CDAA CSc1n[nH]c(=NC(=O)N2C[C@H]3CCC[C@H]32)s1 2325781965 JLQUWBXMSVXEDU-RNFRBKRXSA-N 270.383 1.698 0 50 CDAA CC1(C)CCC[C@H]1NC(=O)[C@@H]1CCn2nncc2C1 2325790188 WOCVUVJFPHZPKD-ZYHUDNBSSA-N 262.357 1.535 0 50 CDAA CC(C)c1noc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)n1 910477752 GTYZCOYKPZXJPF-RNCFNFMXSA-N 281.312 1.121 0 50 CDAA CCN(CC)C(=O)Cn1cnc2sc(C)c(C)c2c1=O 150925 LKAPKTZQRUAPCG-UHFFFAOYSA-N 293.392 1.943 0 50 CDAA O=S1(=O)CC(c2ccc(Cl)cc2)CS(=O)(=O)C1 162013 MWNYXZMVXSBAOW-UHFFFAOYSA-N 294.781 1.224 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(C)c1 395981 JADRMQQPVYRZDI-CYBMUJFWSA-N 290.319 1.805 0 50 CDAA CS(=O)(=O)c1ccc(N2CCCNCC2)c(F)c1 1499314 APBOURYCDZUNHD-UHFFFAOYSA-N 272.345 1.029 0 50 CDAA COCCNC(=O)C(=O)Nc1cccc2ccccc12 2892238 DUNVDXYNQVXOKS-UHFFFAOYSA-N 272.304 1.541 0 50 CDAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc[nH]n3)C1)CC2 2356157020 AQVKDHBKWWTKJE-INIZCTEOSA-N 297.362 1.628 0 50 CDAA CCn1ncc(C2=NO[C@@H](C(=O)Nc3cccnc3)C2)c1C 3959021 YDVYGBJABYSGKJ-CQSZACIVSA-N 299.334 1.738 0 50 CDAA C[C@H](C(=O)O)N(c1ccc(F)cc1)S(C)(=O)=O 4839244 OYKQXERXKOJUFQ-SSDOTTSWSA-N 261.274 1.065 0 50 CDAA CCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 4868341 ABMUUCPVDJDIJZ-UHFFFAOYSA-N 297.380 1.613 0 50 CDAA C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C 4957917 YBMWGNIBPOIYQV-HXTFMFRQSA-N 278.396 1.796 0 50 CDAA CSc1ccc(CN2CCC[C@H]2C(N)=O)s1 225513697 NMJDQJOTIKAIOJ-VIFPVBQESA-N 256.396 1.920 0 50 CDAA CCOCCNC(=O)c1ccc2nc(S)oc2c1 118775356 RFTUOWGBUAKWNX-UHFFFAOYSA-N 266.322 1.883 0 50 CDAA CCCc1cc(C(=O)NCc2nncn2CCC)[nH]n1 55042044 XUQQENYVGADYSI-UHFFFAOYSA-N 276.344 1.294 0 50 CDAA CC(C)(C)CN1CCN(Cc2cc[nH]n2)C[C@@H]1CCO 22851531 STIIZHREYPQGQT-AWEZNQCLSA-N 280.416 1.324 0 50 CDAA CCNc1ncc(C(=O)NCC[C@@H]2CCCN(C)C2)cn1 67563332 HNRWKWYQVXALPE-LBPRGKRZSA-N 291.399 1.370 0 50 CDAA COC(=O)c1cc([C@H]2CC(=O)Nc3n[nH]cc32)ccc1O 65406792 FHASZVYKAMYUSH-MRVPVSSYSA-N 287.275 1.376 0 50 CDAA C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCCC1 28286251 UITYIZHPSJIEGD-STQMWFEESA-N 290.363 1.427 0 50 CDAA CC(=O)N[C@H](C)c1ccc(-n2cc(CCO)cn2)cc1 65376689 VIWODXBMJRGLTI-LLVKDONJSA-N 273.336 1.604 0 50 CDAA CCNc1ccnc(N(C)CCN2CCCCC2=O)n1 65468961 CIAFBZMBIKCXBB-UHFFFAOYSA-N 277.372 1.357 0 50 CDAA CC(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(=O)n(C)c1 65491556 NXKNOLHDWNSZMH-ZDUSSCGKSA-N 288.351 1.036 0 50 CDAA Cc1cc(C(=O)N[C@H]2COc3ccccc3C2)cc(O)n1 179900957 ZEUXQQHWPHZWKF-CYBMUJFWSA-N 284.315 1.829 0 50 CDAA COCCC(=O)N1CCC(NCc2ccc(C)o2)CC1 136672311 NYPSKINAUJZHJF-UHFFFAOYSA-N 280.368 1.705 0 50 CDAA CN(C)CC[C@@H]1CN(Cc2cnc(N(C)C)s2)CCO1 20200923 ITZFVCIKJZWISL-GFCCVEGCSA-N 298.456 1.362 0 50 CDAA CCN1C[C@@]2(CCCN(c3nccc(N)n3)C2)CCC1=O 72479117 DEXZFZMMXNHELE-OAHLLOKOSA-N 289.383 1.288 0 50 CDAA COCCc1cc(NC(=O)N2CC(C)C2)n(C)n1 331742494 BGMQSQMLQGMLPD-UHFFFAOYSA-N 252.318 1.093 0 50 CDAA O=C(NCCCNC(=O)C1CCC1)Nc1ccncc1F 120518896 FJAZVLQMUTYQIV-UHFFFAOYSA-N 294.330 1.649 0 50 CDAA O=C(CO)N[C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 230138662 OJRAQLLUEHDQHZ-BZUAXINKSA-N 288.391 1.396 0 50 CDAA CCS(=O)(=O)c1ccccc1C(=O)N1CCCC1 32497058 PDJBFNOMDTVTBA-UHFFFAOYSA-N 267.350 1.716 0 50 CDAA C[C@@]1(C(=O)O)CCCN(C(=O)c2cncs2)C1 235423062 BFDRXZADZFUWFP-LLVKDONJSA-N 254.311 1.470 0 50 CDAA Cc1c[nH]ccc1=NC(=O)N(C)C[C@@H]1CCc2nccn2C1 328629164 ONIRCDHGEHTONP-ZDUSSCGKSA-N 299.378 1.735 0 50 CDAA C[C@@H](O)c1ncc(CN[C@@H](CO)Cc2ccccc2)s1 253427592 GGKGJNKEMWJMGD-DGCLKSJQSA-N 292.404 1.890 0 50 CDAA CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H]1CCOC1=O 257365301 FWSWBDBIQGSYPF-XQQFMLRXSA-N 280.368 1.167 0 50 CDAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1 257366151 LMYWPOXQFKEENR-IXLVIVEVSA-N 294.420 1.917 0 50 CDAA COC[C@@H](C)Nc1nc(-c2ccccn2)nc2c1CCNC2 72166214 SHLCQNKLUXZCGQ-LLVKDONJSA-N 299.378 1.631 0 50 CDAA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CN[C@@H]1CCCOC1 434158428 DVSAVYNFSNODOW-MJBXVCDLSA-N 296.390 1.101 0 50 CDAA C[C@@H]1C[C@H](Cn2nc(-c3cnn(C)c3)ccc2=O)CCO1 329772305 HHYSOHUODZIGRM-VXGBXAGGSA-N 288.351 1.459 0 50 CDAA Cn1c(=NCC2([S@](C)=O)CC2)[nH]c2c(F)cccc21 440544487 APGWHGKXPAJHLU-IBGZPJMESA-N 281.356 1.457 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccccn2)n(C)n1 363113200 AFKTXZSIUNXPOH-AWEZNQCLSA-N 299.378 1.727 0 50 CDAA Cn1cc(-c2nn3c(C(F)(F)F)nnc3s2)cn1 61718683 CCJBVZIOGASJSM-UHFFFAOYSA-N 274.231 1.605 0 50 CDAA Cc1c[nH]c(CCN[C@@H]2CCOC3(CCOCC3)C2)n1 77321639 NSQJEPKZJOVUFU-CYBMUJFWSA-N 279.384 1.578 0 50 CDAA COCC(COC)Sc1nc2nc(C)cc(C)n2n1 521395152 QYQRTTULGALXMW-UHFFFAOYSA-N 282.369 1.495 0 50 CDAA COc1ccsc1S(=O)(=O)NCCc1cn[nH]c1 521394449 IIKGTJFVBLNFQZ-UHFFFAOYSA-N 287.366 1.001 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CCNC(=O)C[C@H]1C 368539012 QULBMWQKNFEYCG-SNVBAGLBSA-N 294.326 1.575 0 50 CDAA C[C@H](NC(=O)CNC(=O)c1cccnc1)c1cccnc1 156446234 GXBCMCPTCCZEQJ-NSHDSACASA-N 284.319 1.084 0 50 CDAA CN(CCC(=O)O)C(=O)C1=Cc2ccccc2OC1 262986648 NVRVLBZJNYEHIL-UHFFFAOYSA-N 261.277 1.396 0 50 CDAA Cc1noc([C@H](C)NC(=O)Cc2cccc(C(=O)O)c2)n1 262198750 RXUZMJLAFQNBBH-QMMMGPOBSA-N 289.291 1.496 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)O)C2)[nH]1 34927235 LTUAQLZDZOZVEL-JTQLQIEISA-N 250.298 1.568 0 50 CDAA O=C(NC[C@H]1CCCO1)c1ccc(-c2ccccc2)[nH]c1=O 72117862 MSKYSLFFHLMMQF-CYBMUJFWSA-N 298.342 1.951 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(C(=O)c2cccc3c2CCC3)C1 334387925 PWDJSCBQKHFLEJ-FZMZJTMJSA-N 288.347 1.940 0 50 CDAA C[C@H](C(=O)O)C(=O)NCc1ccc(Cn2cccn2)cc1 263042472 CNHBNTXJUXBETB-NSHDSACASA-N 287.319 1.268 0 50 CDAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1cc(O)nc2ccccc12 237990180 JFNLPHPEGORFMZ-FOSCPWQOSA-N 297.358 1.953 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)CCO1 237961168 TWBXBQFVSDASFL-PXYYCUNGSA-N 289.331 1.792 0 50 CDAA Cc1cccc(-c2cncc(C(=O)N[C@@H]3CNC(=O)C3)c2)c1 335706178 BZMBZDJVLDLQAR-HNNXBMFYSA-N 295.342 1.675 0 50 CDAA Cn1c(CCN2C[C@H](F)C[C@H]2C(N)=O)nc2ccccc21 284666323 DMGITWJKKNVKNP-MFKMUULPSA-N 290.342 1.014 0 50 CDAA COc1ccc(CN2C[C@@H](CO)CC2=O)c(OC)c1 70493688 VJPSRVSSKYBSCQ-JTQLQIEISA-N 265.309 1.045 0 50 CDAA C[C@H]1C[C@H](NCC(C)(C)CCS(C)(=O)=O)C[C@@H](C)O1 241466013 NTWVVVQVZYZKAZ-CLLJXQQHSA-N 291.457 1.993 0 50 CDAA COC(=O)[C@](C)(NC(=O)Cc1ncccc1OC)C1CC1 241515747 OHRAVZPSXZDLQJ-OAHLLOKOSA-N 292.335 1.091 0 50 CDAA C[C@@H](CO)N(C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 342088265 YRUQNBDITQBXJO-GWCFXTLKSA-N 291.313 1.921 0 50 CDAA CCC(=O)N1CCC[C@H](C(=O)NCCn2cccc2)C1 80791645 SHRSGYUIKITEGE-ZDUSSCGKSA-N 277.368 1.253 0 50 CDAA CS(=O)(=O)c1n[nH]c2cc(Br)ccc12 80444011 VTPLMCLBXPNRFX-UHFFFAOYSA-N 275.127 1.729 0 50 CDAA CCOc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OC 223379616 MNWBNQVRFGGMPY-VXGBXAGGSA-N 280.324 1.014 0 50 CDAA Cc1cnc(Nc2cc(N3CCCC3)cnn2)[nH]c1=O 199297689 KLLRXIUDLZHKEO-UHFFFAOYSA-N 272.312 1.212 0 50 CDAA Cc1nc2ccccn2c1CC(=O)N1CCCO[C@@H](C)C1 426406174 OAGYKHRVMNNZLS-LBPRGKRZSA-N 287.363 1.823 0 50 CDAA CCC(=O)N1CC[C@H](C(=O)Nc2ccc3[nH]ncc3c2)C1 178878399 FBZVDDDNZPHXNH-JTQLQIEISA-N 286.335 1.760 0 50 CDAA O=C(c1nc[nH]c2nccc1-2)N1C[C@H]2C[C@H](O)CC[C@H]2C1 616299720 QKNWVZNSXXWEHE-HBNTYKKESA-N 286.335 1.143 0 50 CDAA Cc1[nH]nc(C(=O)N2CC[C@@]3(CCN(C)C3)C2)c1C 292496489 GFTUPXXRHWHNMO-CQSZACIVSA-N 262.357 1.194 0 50 CDAA CCCc1cc(C(=O)N[C@H](C)c2ncnn2CCC)[nH]n1 91518590 CVGOUEQCBDFOIQ-SNVBAGLBSA-N 290.371 1.855 0 50 CDAA CC[C@@H]1CCN1C(=O)c1cn(-c2cccc(OC)c2)nn1 295256145 GHPCIGSKESVDJM-LLVKDONJSA-N 286.335 1.900 0 50 CDAA c1nc(C2CC2)cc(N2CCC(n3cnnc3)CC2)n1 95365690 SSWCXKRACVSRTL-UHFFFAOYSA-N 270.340 1.787 0 50 CDAA N[C@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@@H]1C1CC1 91649792 ZQUKKPWWEZPLFN-CABCVRRESA-N 296.374 1.886 0 50 CDAA CC(C)n1cnnc1CN1C(=O)COc2cccnc21 95378586 HMYMJHGXPVXWOS-UHFFFAOYSA-N 273.296 1.180 0 50 CDAA Cc1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)n(C(C)C)n1 97745062 RJKDOQULCURXAD-QWRGUYRKSA-N 283.351 1.594 0 50 CDAA N[C@H]1CN(CCOc2ccc(F)cc2)C[C@@H]1C1CC1 91616812 CZAAUWUGPVTQRE-CABCVRRESA-N 264.344 1.874 0 50 CDAA CC(C)(C)OC(=O)NCc1nnc2n1CCCC2 96511688 QDJXGWGJGGHUIX-UHFFFAOYSA-N 252.318 1.639 0 50 CDAA Nc1ccnc(N2CCC[C@](CO)(CC3CC3)C2)n1 91486239 QBNNRMKYESVXJL-AWEZNQCLSA-N 262.357 1.438 0 50 CDAA COc1cc(O)c(C=O)cc1I 142354572 YPUMFVXSTKNWRE-UHFFFAOYSA-N 278.045 1.818 0 50 CDAA C[C@H]1CN(C(=O)CCCN)[C@H](c2ccccc2)CO1 237578383 ISSDDHMRDBNDLO-JSGCOSHPSA-N 262.353 1.714 0 50 CDAA c1ccc(NCCn2cc(-c3cncnc3)nn2)cc1 95379965 XLGWSANREKSUDN-UHFFFAOYSA-N 266.308 1.847 0 50 CDAA O=C1OC[C@@H](CO)N1CCCOc1ccccc1 95521405 HFBAUAREFBDEMC-LLVKDONJSA-N 251.282 1.269 0 50 CDAA Cc1cc(O)c([C@H](CC(=O)O)c2cccnc2)c(=O)n1C 524729825 LFANBQYCPNGXSI-LLVKDONJSA-N 288.303 1.401 0 50 CDAA biogenic O=C(NCC1(C(=O)O)CC1)c1csc([C@@H]2CCCO2)n1 621572231 DNFMVOILUBBSCQ-VIFPVBQESA-N 296.348 1.589 0 50 CDAA C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C=CC(=O)O1 253635299 KQNZDYYTLMIZCT-XPABHHOTSA-N 280.364 1.962 0 50 CDAA biogenic,in-vivo CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@H](C)[C@H]1C 183457442 AXQOBPOXKMBDCO-WZRBSPASSA-N 270.373 1.173 0 50 CDAA CO[C@@H]1CC[C@H]2OCCN(CCCCCO)[C@H]2C1 252486078 DSRCOAFQYOTZAX-HZSPNIEDSA-N 257.374 1.417 0 50 CDAA C[C@@]1(C(=O)NCCc2cn3ccccc3n2)CCCCO1 457402405 LSUOALNVOXXCGV-INIZCTEOSA-N 287.363 1.952 0 50 CDAA Cc1cc(C(N)=O)c(N2CCC[C@@]3(CCNC3)C2)nc1C 534632449 AUOFLRKQJDHMCF-INIZCTEOSA-N 288.395 1.377 0 50 CDAA Cc1ncsc1C(=O)N[C@@H](C)c1ncnn1C 276387336 ABXYQRUYHKCFEH-ZETCQYMHSA-N 251.315 1.071 0 50 CDAA Cc1noc([C@@H]2CCN(C(=O)CCc3cccnc3)C2)n1 299779807 IPFRIDSIOJSOKV-CYBMUJFWSA-N 286.335 1.722 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CCC(=O)O)c(C)s1 299800028 URTUHJLVAVDQLS-ZCFIWIBFSA-N 256.327 1.802 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)Cn1cc(C)cn1 299795589 KQXBMXRDPVMMCR-NSHDSACASA-N 276.344 1.070 0 50 CDAA CN1CCC(O)(CNC2CC(C)(C)NC(C)(C)C2)CC1 823761184 QXXPMGILKDBAQC-UHFFFAOYSA-N 283.460 1.342 0 50 CDAA CN(CCc1nccn1C)C[C@H]1CCN(C)C1(C)C 823690094 LWZVJURFZRPMHE-CYBMUJFWSA-N 264.417 1.625 0 50 CDAA CN(C)C[C@@H]1CCCC2=C1NC1(CCCCC1)NC2=O 585152454 HPJBWWVPVBNVEV-LBPRGKRZSA-N 277.412 1.982 0 50 CDAA COCCN(C)CC(=O)N[C@@H](C)C1=CCCCC1 824405750 IYDOWVRSEQXRCU-LBPRGKRZSA-N 254.374 1.570 0 50 CDAA Cc1ccc(C(=O)N2CC[C@H](CO)C2)n1C(F)F 584897760 XOQJJVRJPJGFAG-VIFPVBQESA-N 258.268 1.646 0 50 CDAA CSc1cc(C(=O)NCc2cnn(C)c2C)co1 585131980 LEFKHSQJOGHZGN-UHFFFAOYSA-N 265.338 1.973 0 50 CDAA CCOCC1CCN(C(=O)c2cncn2C)CC1 584892689 QTXFQRUZEWWSPM-UHFFFAOYSA-N 251.330 1.309 0 50 CDAA Cc1cc(O)nc(CCNC(=O)c2occc2C)n1 584889823 JUSSJYSAFHSIIV-UHFFFAOYSA-N 261.281 1.365 0 50 CDAA COCC1CCN(C(=O)[C@@H]2CC(C(C)C)=NO2)CC1 584888238 NNJLEHNVTRIGNQ-ZDUSSCGKSA-N 268.357 1.672 0 50 CDAA CC(C)C(=O)N1CCC[C@H](NC(=O)c2ccc(CO)o2)C1 670456679 AXRKDZRFDKCCRM-NSHDSACASA-N 294.351 1.149 0 50 CDAA CCC1=NO[C@@H](C(=O)NCc2c(C)n[nH]c2C)C1 670455633 NJUXXHLSLYBARF-LLVKDONJSA-N 250.302 1.198 0 50 CDAA CC(C)c1nc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)O)cs1 268928490 XDDXWVIZWVTGTD-ZJUUUORDSA-N 282.365 1.646 0 50 CDAA C=CC(=O)N1CCCc2c(OCC(N)=O)cccc21 863971238 KZSMRTOHMAFKOX-UHFFFAOYSA-N 260.293 1.016 0 50 CDAA Cc1ncncc1C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 1549135495 HYDKGOJWIPIXDY-GXTWGEPZSA-N 297.314 1.828 0 50 CDAA C[C@H]1C(=O)N(C)CN1S(=O)(=O)CC1CC2(CCC2)C1 872500653 QGWHQDXRNNSHRZ-JTQLQIEISA-N 286.397 1.017 0 50 CDAA CC(=O)N[C@H]1CC12CCN(c1nccc(C)n1)CC2 952895085 SNSQLJLNLMMPMG-LBPRGKRZSA-N 260.341 1.280 0 50 CDAA Cc1cc(C(=O)N2CC[C@]3(C2)OC(=O)N[C@@H]3C)c(C)[nH]1 1875299471 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Cc1ccc2cc(CN3CCCNC(=O)C3)c(=O)[nH]c2c1 67803772 UFLHRMUKJSQQPS-UHFFFAOYSA-N 285.347 1.158 0 50 CDAA C[C@@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 252478955 AYAUAKRUMILIJY-UPJWGTAASA-N 292.354 1.613 0 50 CDAA CCOc1ccc(OC[C@H](O)CN2CCC[C@@H](O)C2)cc1 229659364 UGJXZGUOUDCHQA-ZIAGYGMSSA-N 295.379 1.282 0 50 CDAA O=C(O)[C@H]1CC(=O)N(Cc2cc(-c3ccccc3)n[nH]2)C1 65410773 LEYSYPQOXKROPC-NSHDSACASA-N 285.303 1.510 0 50 CDAA Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 270569 ASSKKCTXCCCXLQ-UHFFFAOYSA-N 262.361 1.434 0 50 CDAA biogenic COc1cccc(COc2ccccc2C(N)=O)n1 172318397 UTQRTQLGJATEHM-UHFFFAOYSA-N 258.277 1.768 0 50 CDAA CCOc1cccc(S(=O)(=O)N2CC[C@H]([C@H](C)O)C2)c1 282332354 OBFYKUNHIJDRCJ-RYUDHWBXSA-N 299.392 1.477 0 50 CDAA CC[C@H](C)OCC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O 330602020 ZRKXHHKMHGDDPB-TTZDDIAXSA-N 299.411 1.580 0 50 CDAA O=C(c1cc(Cl)c[nH]1)N1CCOC[C@H]1c1ncon1 331460512 KLODSTPJBFRXSE-VIFPVBQESA-N 282.687 1.265 0 50 CDAA CCN(CC(C)(C)O)C(=O)c1ccc2cc[nH]c2n1 330745519 VSQZZRYMBLJJNA-UHFFFAOYSA-N 261.325 1.796 0 50 CDAA CN1CCO[C@H](CN(CC(=N)O)C(=O)C[C@@H]2C=CCC2)C1 328639403 PLHKOBUOPDXTGU-OLZOCXBDSA-N 295.383 1.037 0 50 CDAA C[C@@H]1CC(N[C@H]2CCO[C@@H]2c2nccn2C)C[C@@H](C)O1 328646175 SLNLXARXGBMDCZ-RFHZTLPTSA-N 279.384 1.796 0 50 CDAA CSCC[C@H](O)C(=O)NCc1nc2ccc(F)cc2[nH]1 215782104 VXMQPMDYDMQJTN-NSHDSACASA-N 297.355 1.432 0 50 CDAA Cc1ccnc(NC[C@@H]2CCN(Cc3ncnn3C)C2)c1 377984118 BPHGJFFPXGLXBB-ZDUSSCGKSA-N 286.383 1.453 0 50 CDAA Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)c(C)c1 286465370 VEWDCNBMADHEQQ-KGLIPLIRSA-N 287.363 1.542 0 50 CDAA CCC[C@H](Nc1cc(CCN)ncn1)c1nccn1C 39500805 HICVKMYLKFTCTO-LBPRGKRZSA-N 274.372 1.665 0 50 CDAA Cc1cccc([C@H](NC(=O)[C@H]2CCCOC2)C(=O)O)c1C 262980327 JKOVLKFKIBNLRA-JSGCOSHPSA-N 291.347 1.972 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CCCCNC2=O)c(C2CC2)n1 333056180 CXIHCAYOQJWCLY-ZDUSSCGKSA-N 287.363 1.666 0 50 CDAA CCC[C@H](N)C(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1 236805300 VQNUWUXIESAUJJ-XGUBFFRZSA-N 297.443 1.214 0 50 CDAA CCn1ccnc1CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 333228436 NQALYLDRXHNIHH-XQQFMLRXSA-N 292.383 1.660 0 50 CDAA O=C(O)c1cccc(-c2nccc(N3CCC[C@H](O)C3)n2)c1 215454301 WLDBNANHHIHOEX-ZDUSSCGKSA-N 299.330 1.803 0 50 CDAA OC[C@@H](O)COc1ccc(Br)c(F)c1 122113194 XWZTUZDJUDJUOB-ZCFIWIBFSA-N 265.078 1.320 0 50 CDAA Cc1cc(CC(=O)N(CCC(=O)O)C[C@H]2CCCO2)no1 237592801 BJGNJBRYRPSRGG-GFCCVEGCSA-N 296.323 1.008 0 50 CDAA CCCn1nc(C)c(C(=O)N[C@@H](CC)[C@H](C)O)c1C 334106759 XKVSQHMDOSGQAN-RYUDHWBXSA-N 267.373 1.799 0 50 CDAA COC1(C(=O)N2CCc3c(F)cccc32)CCOCC1 284175672 KRZKUFGWNYYXPE-UHFFFAOYSA-N 279.311 1.910 0 50 CDAA CC(=O)N1CCN(C(=O)c2cc(CC(C)C)c[nH]2)[C@@H](C)C1 334811416 HSVRNKQKOPZOTD-LBPRGKRZSA-N 291.395 1.906 0 50 CDAA CC1=CCCN(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)C1 241946724 UNKUIDNRLMXOCL-ZFWWWQNUSA-N 280.368 1.686 0 50 CDAA CCN(CC(=O)Nc1ccc2c(c1)CC(=O)N2)C1CC1 132466625 IRPNYNNYSZJQIB-UHFFFAOYSA-N 273.336 1.604 0 50 CDAA Cc1cnccc1CN(C)C(=O)C[C@H]1C=CS(=O)(=O)C1 221164217 WBXWXDNKHWSXQF-GFCCVEGCSA-N 294.376 1.297 0 50 CDAA CCCN1CCCn2nc(CNC(=O)CCOC)cc2C1 82087890 QHGUBAFUXMKBQA-UHFFFAOYSA-N 294.399 1.152 0 50 CDAA Cc1ncccc1CNC(=O)N1CC[C@H](n2cccn2)C1 528261234 TXFYRMNRWPLNIA-AWEZNQCLSA-N 285.351 1.743 0 50 CDAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cnccn1 221272457 QMYSJBUREUYEOX-HNNXBMFYSA-N 293.330 1.844 0 50 CDAA Cc1nc2ccccc2c(=O)n1N1[C@H]2CCCC[C@@H]21 136501891 WLQRUURXLKFIMR-KBPBESRZSA-N 255.321 1.968 0 50 CDAA C[C@]1(C(=O)NCc2cnn3ccccc23)CCCO1 426563004 CLQBFEJXPDPZMQ-CQSZACIVSA-N 259.309 1.520 0 50 CDAA COc1cc(-c2cnn(CC(=O)O)c2)cc(OC)c1OC 49893533 HIQCHCCCNSGMGA-UHFFFAOYSA-N 292.291 1.661 0 50 CDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@@H]1CC12CC2 426434787 BPNRPTRXPPLABF-YFKPBYRVSA-N 260.219 1.240 0 50 CDAA COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)c1 222247446 FXKVHHCRDJIHHE-DLTLXFJOSA-N 299.326 1.918 0 50 CDAA Cn1c(Sc2cnccn2)nnc1[C@H]1CCCNC1 426409240 FZKDPYIGSPITGP-VIFPVBQESA-N 276.369 1.223 0 50 CDAA Cc1cccn(CC(=O)N2CCC3(CCC3)C2)c1=O 180364779 HBEXXJXVESLBGR-UHFFFAOYSA-N 260.337 1.559 0 50 CDAA COCCC[C@@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 92028806 SLKTYLSMQBVMSU-ZDUSSCGKSA-N 292.379 1.664 0 50 CDAA OCCn1cnc2cc(-c3nc([C@H]4CCOC4)n[nH]3)ccc21 97805771 OOAWHBXKELGWND-NSHDSACASA-N 299.334 1.318 0 50 CDAA CCn1nccc1C(=O)NC[C@H]1COc2ccccc2C1 95506144 KRIGRPNBDBIBMU-LBPRGKRZSA-N 285.347 1.884 0 50 CDAA CN1CCC(N(C)Cc2nc([C@H]3CCOC3)no2)CC1 96161393 ZJQDHFHXMQGOBB-NSHDSACASA-N 280.372 1.100 0 50 CDAA CC(C)(C)n1nc(C(=O)NCC(=O)O)cc1C1CC1 236761013 LGDCYJJIFNERGL-UHFFFAOYSA-N 265.313 1.330 0 50 CDAA O=C(O)c1ccc(C[C@H]2CCN(CCCO)C2)cc1 91585776 NPXKOHRGJATTSE-CYBMUJFWSA-N 263.337 1.632 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](CC(=O)O)[C@@H](CC(=O)O)C1 96028527 RIGIUTCJAUSCIB-IUCAKERBSA-N 287.312 1.419 0 50 CDAA Cc1nc(CC(=O)NCCN2CCCC2=O)c(C)s1 244594146 DHFNNUTXRBGOEN-UHFFFAOYSA-N 281.381 1.041 0 50 CDAA CCCCS(=O)(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 244646968 GSNUXNRMTSKZQL-YRGRVCCFSA-N 298.408 1.613 0 50 CDAA Cc1ncc(CN2C[C@@H](C)O[C@@H](c3nc(C)no3)C2)cn1 625911589 RUFQYOAQEPPSMX-NOZJJQNGSA-N 289.339 1.438 0 50 CDAA NC(=O)[C@@H]1CN(CCc2ccncc2)C[C@H]1C(F)(F)F 299742897 JDVJHEKFOVQWRN-GHMZBOCLSA-N 287.285 1.220 0 50 CDAA Cc1cnc(CN2CCC[C@@H](N(C)C)C2)c(C)c1O 253537146 ZPDZNKOJASZQJH-CYBMUJFWSA-N 263.385 1.930 0 50 CDAA O=C(CCCn1cccc1)NCCNc1ncccn1 524735650 PVTFHYINEWXTRS-UHFFFAOYSA-N 273.340 1.287 0 50 CDAA CC(C)[C@@H](NC(=O)CCc1ccno1)c1ncnn1C 534635788 IHWPXBKPRJUPKQ-GFCCVEGCSA-N 277.328 1.249 0 50 CDAA COc1cc(CNC(=O)CCC(=O)O)ccc1C 262091253 HYDAZOQSXJCBNN-UHFFFAOYSA-N 251.282 1.485 0 50 CDAA CC(C)n1nccc1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534673159 SCNWOLSDILBHSS-GHMZBOCLSA-N 276.340 1.014 0 50 CDAA COc1nc(=NCCCOC2CCCC2)[nH]cc1F 534633015 WEJQKYDLCALOJG-UHFFFAOYSA-N 269.320 1.807 0 50 CDAA CCCn1nccc1C(=O)N[C@H](CC)c1ncnn1CC 534666129 COXACYLAAZBYKA-LLVKDONJSA-N 290.371 1.786 0 50 CDAA C[C@H](NC(=O)Cc1ccsc1)c1ncnn1C 276539218 YORZZVHAEXYJPB-QMMMGPOBSA-N 250.327 1.297 0 50 CDAA CC(=O)c1cccc(NC(=O)N(C)C[C@@H]2COCCO2)c1 299797019 TVKMJBLQBYUYRO-CQSZACIVSA-N 292.335 1.768 0 50 CDAA COCCC(=O)NCc1nn(C)c2cccc(Cl)c12 299780652 BGZGZOAUTAZOIA-UHFFFAOYSA-N 281.743 1.879 0 50 CDAA Cc1ccc2[nH]c(CNC(=O)CCC(=O)O)nc2c1C 299783380 XLWBHSLWCWUZJW-UHFFFAOYSA-N 275.308 1.661 0 50 CDAA CCn1cc(C(=O)N2CC[C@@H](c3nc(C)no3)C2)cn1 299773630 DVXXVOQGQWRMJD-SNVBAGLBSA-N 275.312 1.224 0 50 CDAA CCCc1nc(CNC(=O)COC[C@H]2CCCO2)cs1 299793411 HFHALEZOWDAXDJ-GFCCVEGCSA-N 298.408 1.907 0 50 CDAA Cc1nc([C@H](C)NC(=O)Cn2nc(C)c(Cl)c2C)n[nH]1 299785653 LECWNLULPNZZFJ-ZETCQYMHSA-N 296.762 1.457 0 50 CDAA c1ccc(C2CCN([C@H]3CNCCOC3)CC2)cc1 299804107 ZTSJOCXYRZHPSP-INIZCTEOSA-N 260.381 1.854 0 50 CDAA CCc1ncc(CNCCn2cnc(C)c2C)cn1 1506419630 GWXNQTSUOLEYEM-UHFFFAOYSA-N 259.357 1.642 0 50 CDAA CCCn1cnnc1CNC(=O)C[C@@H](C)n1ccnc1C 823031333 RZPXURDBZHHFBS-LLVKDONJSA-N 290.371 1.461 0 50 CDAA CN(Cc1cnc(N(C)C)nc1)C[C@@H]1CCN(C)C1(C)C 823690444 YBRDPBBZIVRXTC-AWEZNQCLSA-N 291.443 1.705 0 50 CDAA Cc1ccoc1C(=O)N1C[C@H](O)[C@@H](OC(C)C)C1 584887377 OPBWIBQSDUCFBX-QWRGUYRKSA-N 253.298 1.198 0 50 CDAA O=C(NCCCN1CCC[C@H](O)C1)c1cc(O)ccc1F 584902196 SFAYKJBJKVBHMD-LBPRGKRZSA-N 296.342 1.108 0 50 CDAA CN(CC1(C)COC1)S(=O)(=O)CCOc1ccccc1 670447527 QRQUTPGQHSVVDU-UHFFFAOYSA-N 299.392 1.364 0 50 CDAA CC1(C)CCC[C@@H](NCCc2nc(N)cc(O)n2)C1 670463562 ZYURYBPJGRDMPU-SNVBAGLBSA-N 264.373 1.865 0 50 CDAA COc1nc(N2CCO[C@H](C3CC3)C2)ncc1F 670440163 QZHTUHVSJYYCAK-JTQLQIEISA-N 253.277 1.240 0 50 CDAA CC1(CC(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)CC1 1550385401 DEWVUWRFPGXMOE-VTWZXRTESA-N 281.352 1.705 0 50 CDAA C=CC(=O)N1CC(C(=O)N2CC[C@@]3(CCCCCO3)C2)C1 1875387641 QSEKTLXQKQIIOH-INIZCTEOSA-N 292.379 1.193 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@H]1c2ccccc2C(=O)N1C 1875377043 QIRCMFCSYPYCDY-MRZGDXHCSA-N 287.363 1.047 0 50 CDAA C=CC(=O)N1CC(C(=O)N[C@H](C)c2cnn(C3CC3)c2)C1 1875387617 PRROBPGBHOISOZ-SNVBAGLBSA-N 288.351 1.040 0 50 CDAA CC[C@H](C(=O)N1CCN(CC2CCC2)CC1)N(C)CC 952974661 QJFSGROMGVNPKV-OAHLLOKOSA-N 281.444 1.661 0 50 CDAA Cc1cnc(CNCc2csc(-c3cnccn3)n2)[nH]1 952983807 RMYNNRXWMZJYMK-UHFFFAOYSA-N 286.364 1.921 0 50 CDAA Cc1onc(C(=O)NCCCC[C@H]2CCCO2)c1CO 885939250 ZJKZFPKULCHRKF-NSHDSACASA-N 282.340 1.554 0 50 CDAA CC[C@H]1C(=O)NCCN1c1nc(N)cc(C(C)(C)C)n1 888095628 VQWRYYOIVKXPLL-VIFPVBQESA-N 277.372 1.071 0 50 CDAA COc1ccc(NS(=O)(=O)c2cnoc2C)cc1OC 888096353 CGYIAMHGMBAFDZ-UHFFFAOYSA-N 298.320 1.801 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2n[nH]c(C)n2)C1 888102560 ARRGSBLAYFAXCS-NEPJUHHUSA-N 290.371 1.415 0 50 CDAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cnc[nH]1 1565512258 NHQFYXMXJFYYGD-AAEUAGOBSA-N 279.340 1.280 0 50 CDAA CC(C)C[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 248027500 MRKQBLWNFTVVEI-SRVKXCTJSA-N 270.373 1.367 0 50 CDAA biogenic C[C@@H]1COCCN1Cc1cn(Cc2ccc(F)cn2)nn1 899212882 ZAGGAFKTDSCHOX-LLVKDONJSA-N 291.330 1.081 0 50 CDAA O=C1CC(C2CCOCC2)=NN1Cc1cccnc1 899347713 BZGXYUWCMCBVAH-UHFFFAOYSA-N 259.309 1.597 0 50 CDAA CC(=O)N1CC[C@H](n2cc(CCN)nn2)c2ccccc21 899743502 ILXPHQHNRIXRLS-HNNXBMFYSA-N 285.351 1.125 0 50 CDAA Cc1ccc2oc(C(=O)N3CC[C@H](C(=O)O)C3)cc2n1 269217541 YQMGOEIEWQNXRT-VIFPVBQESA-N 274.276 1.683 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)O)CC2)C1 95725651 HDJUQMXQBAWFHA-LBPRGKRZSA-N 298.383 1.792 0 50 CDAA in-vitro Cc1cc(N2CCN(C(=O)c3ccccc3O)CC2)ncn1 301222074 CMBSLKTUNWYLNY-UHFFFAOYSA-N 298.346 1.453 0 50 CDAA C[C@H](c1ccccc1)N1CCN2CCS(=O)(=O)C[C@H]2C1 408522509 AMDNEVVUHZEVKX-UKRRQHHQSA-N 294.420 1.162 0 50 CDAA O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccon1 186992779 HVMONMOVYBGOFN-UHFFFAOYSA-N 291.273 1.679 0 50 CDAA C[C@](O)(C[C@H](O)CN[C@@H](CCO)c1ccco1)C1CC1 634719836 AHZCNAJIUZDRRX-YDHLFZDLSA-N 283.368 1.205 0 50 CDAA O[C@@]1(CNc2cc(N3CCCC3)ncn2)CCSC1 277793023 MXPDBUCDUWFXKC-CYBMUJFWSA-N 280.397 1.357 0 50 CDAA CCOC1CC(O)(CNC(=O)c2ccc(C)s2)C1 277807959 UPWLDXNLXURWIY-UHFFFAOYSA-N 269.366 1.716 0 50 CDAA CCOC(=O)[C@H](C)[C@@H](C)Nc1cc(CC)nc2ncnn12 170614942 JSRSDRLJIZCPSQ-NXEZZACHSA-N 291.355 1.686 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1c(F)cccc1F 643828761 IKPPBDWRGQXOCB-OAHLLOKOSA-N 298.333 1.692 0 50 CDAA COc1cc(CNC(=O)N=c2ccc(C3CC3)n[nH]2)on1 583651503 OFABSYYDXWLOHR-UHFFFAOYSA-N 289.295 1.094 0 50 CDAA O=C([C@H]1CCc2ncncc2C1)N1CCSCC1 648738037 WZKSPRAIWGNZEW-JTQLQIEISA-N 263.366 1.157 0 50 CDAA Cn1ncc(C2CC2)c1C(=O)NCc1cccc(C(=O)O)c1 659130036 IVIBGKLEJKVRHE-UHFFFAOYSA-N 299.330 1.926 0 50 CDAA Cc1cc(N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)ncn1 766441627 UTDFOLPCTLERPJ-ZIAGYGMSSA-N 287.367 1.611 0 50 CDAA CCn1cncc1CN[C@@H](C)Cn1nc(C)cc1C 1506403343 TVLPIPNENNKBPS-LBPRGKRZSA-N 261.373 1.895 0 50 CDAA C[C@@H](CN1CCCCCC1)N1CCCN(C)CC1 1506405612 VSYVRPQTYKBJEK-HNNXBMFYSA-N 253.434 1.888 0 50 CDAA CC[C@H](c1ccccn1)N(C)C(=O)c1[nH]nnc1C 1506414349 YGDNARIPFAJTPF-LLVKDONJSA-N 259.313 1.731 0 50 CDAA CCN1CCN(C(=O)c2ccc(C)n2C(F)F)[C@@H](C)C1=O 1506425683 QVNNLRMNDHWQCJ-JTQLQIEISA-N 299.321 1.884 0 50 CDAA COc1cccc(/C=C2/NC(=O)NC2=O)c1OC(C)C 317916 RFDZPSQCBFJHSO-JXMROGBWSA-N 276.292 1.663 0 50 CDAA Cc1ncc(C(F)(F)F)cc1C(=O)N1C[C@@H](N)C[C@@H]1C 638928968 DAYXQXAILJYUPU-XVKPBYJWSA-N 287.285 1.971 0 50 CDAA CN(C[C@H]1CCCO1)c1ncccc1C(=O)N1CCCC1 1704311620 DNDXIHJTAGXUBS-CYBMUJFWSA-N 289.379 1.933 0 50 CDAA CCOC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)CC1=O 149353372 HIKNVKBEOQDCEO-AWEZNQCLSA-N 285.340 1.766 0 50 CDAA in-vitro O=C(Nc1snc2c1CCC2)C1CCOCC1 1850026671 LMPVCSBJXMXYEA-UHFFFAOYSA-N 252.339 1.997 0 50 CDAA COCCn1cc(CNc2csnc2C)cn1 1615587279 CUVUYROWVMKNRM-UHFFFAOYSA-N 252.343 1.907 0 50 CDAA O=C(CN1CCCCC1=O)Nc1cccnc1C1CC1 1615618106 DWKIPGCJWYCJLK-UHFFFAOYSA-N 273.336 1.910 0 50 CDAA c1ccc(CCN2CCN(C[C@@H]3C[C@H]4CC[C@H]3N4)CC2)cc1 1616035723 CCSQYPSPQHGDKE-IPMKNSEASA-N 299.462 1.987 0 50 CDAA NC(=O)c1ccc(N2CCC[C@@]3(CCc4c[nH]nc43)C2)nc1 1775982400 OVRPPBHMYSOKEU-MRXNPFEDSA-N 297.362 1.388 0 50 CDAA O=C1C[C@H](Sc2nnc[nH]2)C(=O)N1c1ccc(F)cc1 18275938 IGOCLTQNWNQXMT-VIFPVBQESA-N 292.295 1.368 0 50 CDAA CC(=O)Nc1cc(F)c(C)c2c1C(=O)[C@@H](NC(C)=O)CC2 167284181 UNQLSBJKEGXCGH-LBPRGKRZSA-N 292.310 1.726 0 50 CDAA CSCC[C@H](CO)NC(=O)c1cc(C(C)C)[nH]n1 154875524 VWCGVFOCQGGDFM-SECBINFHSA-N 271.386 1.377 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCC3CC(O)C3)n[nH]c21 1857528320 ADTWPHUXBULXMW-MFQSTILNSA-N 293.367 1.323 0 50 CDAA COc1ccc([C@H](O)C(=O)N2Cc3cnc(C)cc3C2)cc1 1857672963 BMDQAPFJTABQKG-INIZCTEOSA-N 298.342 1.974 0 50 CDAA COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(C)nc1 248877266 WDBJMRLVFWUMFX-MJBXVCDLSA-N 288.347 1.804 0 50 CDAA Cc1cnnc(N2CCN3[C@@H](C4CC4)COC[C@H]3C2)c1C 1875244145 AIGUKRBMSVLIAO-HUUCEWRRSA-N 288.395 1.393 0 50 CDAA CCC[C@H](C)NC(=O)[C@@H]1CCCN([C@@H](C)C(=O)O)C1 237014606 RPACOMMOAJFTIR-SDDRHHMPSA-N 270.373 1.476 0 50 CDAA CN1CC[C@@H]2CN(C(=O)CC3CCCC3)C[C@]2(C(=O)O)C1 248129538 MWGMUWDQQDUNRU-CZUORRHYSA-N 294.395 1.432 0 50 CDAA CC(C)OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 20234166 XRZBMJMYZAJPFV-QGZVFWFLSA-N 292.423 1.590 0 50 CDAA COCCN(C)c1ccc(CN2CCC[C@H](CN)C2)cn1 261921812 KOKWEGQYZYNNRI-CQSZACIVSA-N 292.427 1.335 0 50 CDAA Cc1ncc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)c(C)n1 262946210 KZBGTZDOSSPYJJ-GMXVVIOVSA-N 289.335 1.419 0 50 CDAA COCCN1CC(=O)N(c2cc(OC)ccc2Cl)C1=O 900219696 RLYMLIAYCHZBDU-UHFFFAOYSA-N 298.726 1.764 0 50 CDAA c1cnc(-n2cc(NCc3nc(C4CCC4)no3)cn2)nc1 902080330 FLZYCDQWIGVODK-UHFFFAOYSA-N 297.322 1.925 0 50 CDAA O=C(Cn1cc([C@@H](O)c2ccccc2)cn1)NCC1CC1 902851841 DOOFLWCOEOWJFV-INIZCTEOSA-N 285.347 1.491 0 50 CDAA CCc1nnc(Cn2cc([C@H](O)c3ccccc3)cn2)o1 902852428 SZWOCCYYHDFNFO-OAHLLOKOSA-N 284.319 1.959 0 50 CDAA C[C@@H]1COc2ccccc2N1C(=O)c1cnc(N(C)C)cn1 903655323 ADDSHXJKESEEIZ-LLVKDONJSA-N 298.346 1.970 0 50 CDAA O=C(c1cc2cccnc2[nH]1)N1CCCCC[C@@H]1CO 911954218 LSICGNKWOZBMOY-GFCCVEGCSA-N 273.336 1.940 0 50 CDAA C=CC(=O)N[C@H](c1ccccc1OC)c1nccn1C 1120553018 PRVNAJVBNHTHGE-CQSZACIVSA-N 271.320 1.820 0 50 CDAA CCn1ncc(CN[C@H](C(C)C)C2(CO)CCC2)n1 839109802 MIESORYNKGZKHH-CYBMUJFWSA-N 266.389 1.575 0 50 CDAA Cn1cc(I)c2nccnc21 1848351651 GXAIMZLSOFEBQB-UHFFFAOYSA-N 259.050 1.573 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCO1 111288205 LDGRSTZNRUFNDD-GFCCVEGCSA-N 274.276 1.094 0 50 CDAA CN(CCc1cn[nH]c1)C[C@H]1COc2ccccc2O1 20450029 VDOFZMUNPHVDGL-ZDUSSCGKSA-N 273.336 1.724 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)c1 111713081 NUQJHVBUEBXYOM-OLZOCXBDSA-N 282.409 1.743 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 237857845 VNDCTYLDVDLZNF-MRVWCRGKSA-N 276.384 1.981 0 50 CDAA Cc1ccoc1C(=O)NCC1(CO)CCOCC1 151687264 WJQKVJMOOXLTGN-UHFFFAOYSA-N 253.298 1.107 0 50 CDAA CCc1ncnc(N[C@@H]2CCCC[C@@H]2C(N)=O)c1F 270920444 AMQQPSJXNIHLPW-WCBMZHEXSA-N 266.320 1.634 0 50 CDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@]1(C)CCOC1 161643786 BQHXBLGKRMUPID-ZDUSSCGKSA-N 299.348 1.151 0 50 CDAA CCC(CC)(CN)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 170687892 JYGSTDWZSMEHGQ-OLZOCXBDSA-N 284.400 1.158 0 50 CDAA O[C@@H](COc1ccccc1)CN1CCC(F)(F)C1 345831104 XSMAIOKLKBUILD-LLVKDONJSA-N 257.280 1.767 0 50 CDAA CO[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)[C@H]1CCOC1 659119532 BLVBVSRKQKJSCP-CMPLNLGQSA-N 279.292 1.375 0 50 CDAA O=C(NC1CCN(C2CCOCC2)CC1)c1ccoc1 299784311 NPKLRWPMPHGVMV-UHFFFAOYSA-N 278.352 1.653 0 50 CDAA Cc1nc(C)c(CNC(=O)c2ccc3c(c2)CNC3)o1 312343062 PBFJSDSGEDNRPQ-UHFFFAOYSA-N 271.320 1.825 0 50 CDAA COc1cc(F)ccc1-c1cn(C)nc1C(=O)O 534654340 UXYFJSJCQMYDHQ-UHFFFAOYSA-N 250.229 1.933 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1conc1C 644182303 YOAYSQYXRZJIMK-GFCCVEGCSA-N 254.286 1.049 0 50 CDAA COC[C@@H]1CCCCN(C(=O)c2cc(C)nc(O)c2)C1 375113843 KFROXPKRBZFDQI-GFCCVEGCSA-N 278.352 1.984 0 50 CDAA CCCN1C(=O)[C@@](O)(C(F)(F)F)N=C1c1ccccc1 4843265 RDWLDVFNEGXYGE-GFCCVEGCSA-N 286.253 1.936 0 50 CDAA Nc1cc(O)nc2nnc(SCCc3ccccc3)n12 8972273 MGUSDHXYQOMZOV-UHFFFAOYSA-N 287.348 1.747 0 50 CDAA CC(C)C[C@H](CN)CC(=O)OCCN1CCCC1 585139424 BJKOBXQGYCAFBF-ZDUSSCGKSA-N 256.390 1.637 0 50 CDAA CC(C)c1nocc1CNC(=O)[C@H](C)N1CCSCC1 2325766614 FUDGIIMXDQGDIL-NSHDSACASA-N 297.424 1.852 0 50 CDAA Cc1ccc(O)c(CN[C@H](C(=O)O)[C@@H](C)OC(C)(C)C)n1 2325789719 ITIZIGDXAODYGL-MFKMUULPSA-N 296.367 1.842 0 50 CDAA O=S(=O)(NCc1cccnc1)c1cccs1 32112 PWWYYMTYFYWPDY-UHFFFAOYSA-N 254.336 1.622 0 50 CDAA O=C(CN1CCCCC1)NC[C@@H]1COc2ccccc2O1 108662 YNTXUFONQWCEHR-CYBMUJFWSA-N 290.363 1.429 0 50 CDAA Cn1c[n+](C[C@H](O)COc2ccccc2)c2ccccc21 273018 FYOHUQBEVOXBNL-AWEZNQCLSA-N 283.351 1.906 0 50 CDAA NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1708462 OJTJKAUNOLVMDX-LBPRGKRZSA-N 280.324 1.495 0 50 CDAA Cc1ccc(S[C@H](C)C(=O)Nn2cnnc2)cc1 2879799 HDTOUGAVQJTWNX-SNVBAGLBSA-N 262.338 1.837 0 50 CDAA CN(C)C(=O)c1cccc(-c2ccc(-c3n[nH]c(=N)[nH]3)o2)c1 2356161367 RVMBCGLLCGYBSD-UHFFFAOYSA-N 297.318 1.846 0 50 CDAA CCc1nc(O)ccc1C(=O)NCc1[nH]nc2ncccc12 2356168094 PBNFQKXHEIAQIR-UHFFFAOYSA-N 297.318 1.551 0 50 CDAA COCCCNC(=O)[C@H](C)Oc1cccc(C)c1 4832347 LLENXBDTPRDWPR-LBPRGKRZSA-N 251.326 1.915 0 50 CDAA COc1cc(S(=O)(=O)n2ccnc2C)ccc1F 7425038 PRIKGFFVASVZIU-UHFFFAOYSA-N 270.285 1.576 0 50 CDAA CCN(C)C[C@H](C)CNC(=O)CCC(=O)NC1CCCC1 55227551 RSYDKMLLUTZAHP-CYBMUJFWSA-N 297.443 1.529 0 50 CDAA OC[C@@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1 8555648 WMTGSWKPLDSFKN-UONOGXRCSA-N 299.798 1.927 0 50 CDAA CN(CC(=O)OC(C)(C)C)C(=O)OCC(F)(F)F 225532169 JVINAHPVWOUUOO-UHFFFAOYSA-N 271.235 1.959 0 50 CDAA O=C(C[C@H]1C=CCC1)OCCCCN1CCOCC1 225525567 QVSMRINKIXANNU-AWEZNQCLSA-N 267.369 1.998 0 50 CDAA CCN(CCNC(=O)c1cnc(C)cn1)CC(F)F 225613897 BPQKPZYGOYEVGK-UHFFFAOYSA-N 272.299 1.102 0 50 CDAA COc1ccc2c(c1OC)C(=O)O[C@H]2C(C(C)=O)C(C)=O 100554901 QOWBQEQASKWPPM-CYBMUJFWSA-N 292.287 1.710 0 50 CDAA biogenic,in-vitro C[C@H](NC(=O)c1ccc2cn[nH]c2c1)C(=O)N1CCCC1 134466429 MKJRRINLUIEKNM-JTQLQIEISA-N 286.335 1.304 0 50 CDAA CS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1C1CCCCC1 345492042 LKBQERHZKRWZNA-GHMZBOCLSA-N 259.371 1.116 0 50 CDAA COC[C@H](C)NS(=O)(=O)c1cc(F)ccc1OC 10302100 PSOZAASNOCVKNU-QMMMGPOBSA-N 277.317 1.148 0 50 CDAA CN([C@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(F)cc1 10544273 UEJSKUSNHJPTKI-STQMWFEESA-N 287.356 1.750 0 50 CDAA FC(F)(F)[C@@]1(c2nc(-c3ccccn3)no2)CCNC1 111240722 OFKVXWJVHOBEGA-NSHDSACASA-N 284.241 1.925 0 50 CDAA Cc1c(CNC(=O)CNC(N)=O)oc2ccccc12 115714836 CAYHZXOOXDPXDL-UHFFFAOYSA-N 261.281 1.026 0 50 CDAA O=C(Nc1ccc2nc(S)[nH]c2c1)C(=O)NC1CC1 135507418 IVCWWSSZCZENSN-UHFFFAOYSA-N 276.321 1.069 0 50 CDAA NC(=O)c1cc(-n2ccc(-c3cnccn3)n2)cs1 65384036 FXTCNGZAMSIFKR-UHFFFAOYSA-N 271.305 1.490 0 50 CDAA CNC(C)(C)C(=O)NC[C@@H]1CCCN(CC(C)C)C1 67954788 SDKYMYRROLHANG-ZDUSSCGKSA-N 269.433 1.469 0 50 CDAA Cn1ccnc1C[C@H]1CCCN(C(=O)COCC2CC2)C1 119825885 AURPYXFSPALPJD-CQSZACIVSA-N 291.395 1.628 0 50 CDAA Cc1cnc(C)c(N2CC[C@]3(CN(C)C(=O)O3)C2)n1 72417788 CGRKVAJETTYEPY-ZDUSSCGKSA-N 262.313 1.124 0 50 CDAA Cc1cccc(CSCCCNC[C@@]2(O)CCNC2)c1 77318861 XIGCAFMYAUOIGE-INIZCTEOSA-N 294.464 1.932 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](N2CC(C(=O)O)C2)C1 39952121 HEQCPYIGHNGSPF-SNVBAGLBSA-N 270.329 1.012 0 50 CDAA Cc1ocnc1C(=O)N1CCO[C@@H](CN(C)CC2CC2)C1 328653893 XBIYVPCNYCBYCO-ZDUSSCGKSA-N 293.367 1.166 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCCCO2)C1 328625836 DOAPFIPXNRBJIN-GJZGRUSLSA-N 296.411 1.125 0 50 CDAA CCN(CC(=O)Nc1ccc(-n2ccnc2)nc1)C1CC1 151342720 BRFRWHYAHVIFPS-UHFFFAOYSA-N 285.351 1.690 0 50 CDAA CCO[C@H](C)c1nc(CC(=O)N2CCNC[C@@H]2C)cs1 125708552 DWPQLIOQXYTPBY-WDEREUQCSA-N 297.424 1.603 0 50 CDAA Cc1c(C(=O)N2C[C@H](C)N[C@H](C)C2)cnn1C(C)(C)C 153205425 ZMYJLAUCCCUJQI-PHIMTYICSA-N 278.400 1.769 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CC[C@H](N2CCCC2)C1 363692544 NOMFLDWUMOJKRL-YNEHKIRRSA-N 252.358 1.108 0 50 CDAA Cc1csc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 236004340 XLLDXOLFVJYPTO-AATLWQCWSA-N 278.333 1.913 0 50 CDAA Cc1nn(CCO)cc1CN1CCCC[C@@H]1CCN(C)C 72430388 CXZSYBOGZVZBSP-MRXNPFEDSA-N 294.443 1.490 0 50 CDAA NC1(C(=O)NCCCn2ncc3ccccc32)CC1 71775833 BLUNJKSOHSMHHV-UHFFFAOYSA-N 258.325 1.034 0 50 CDAA Cc1cc(C)cc(C(=O)N[C@H](CO)c2ccnn2C)c1 458149877 HJBLFLQNPAMWPI-CYBMUJFWSA-N 273.336 1.500 0 50 CDAA COC(C)(C)[C@H](C)NCc1cccc(N2CCOCC2)n1 340501426 HXMOYHFBMBZLLI-ZDUSSCGKSA-N 293.411 1.821 0 50 CDAA CCOc1ccccc1N1CCN(CC(=O)O)CC1 236951140 IYBNVORDGWHPME-UHFFFAOYSA-N 264.325 1.292 0 50 CDAA Fc1ccccc1OCc1noc([C@H]2CCNC2)n1 261959194 GYYPRWITBFCMIV-VIFPVBQESA-N 263.272 1.865 0 50 CDAA Fc1ccccc1OCc1noc([C@@H]2CCNC2)n1 261959190 GYYPRWITBFCMIV-SECBINFHSA-N 263.272 1.865 0 50 CDAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CC[C@@H](O)C12CCCC2 333984279 FJTPIDLRHYHAQN-YVECIDJPSA-N 280.368 1.395 0 50 CDAA O[C@H](COCc1ccccc1Cl)CN1CCCOCC1 374026305 DOBQBKZDGCGJTD-AWEZNQCLSA-N 299.798 1.940 0 50 CDAA C[C@@H]1OCC[C@@H]1N(CCO)Cc1cnn(C(C)(C)C)c1 449675540 AKTLJBAADQPGJA-JSGCOSHPSA-N 281.400 1.610 0 50 CDAA O[C@@H]1CC[C@H](NC2CCN(Cc3ccncc3)CC2)C1 376063860 AAHDZTHKCWAGBE-JKSUJKDBSA-N 275.396 1.549 0 50 CDAA CNC(=O)C[C@H](C)NC(=O)c1coc(C2CCCCC2)n1 456495554 DVYZDDKMWXBEKT-JTQLQIEISA-N 293.367 1.977 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)c2ccco2)C1 284682243 WSTBMMPIQIWVSG-ZJUUUORDSA-N 276.296 1.308 0 50 CDAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccccn1 284685613 AKARMUSVZUVTMV-GWCFXTLKSA-N 272.308 1.075 0 50 CDAA Cc1cc(CN2CCCN(c3cccnn3)CC2)ccn1 527531587 ACKQRHIKBOCAEF-UHFFFAOYSA-N 283.379 1.892 0 50 CDAA CO[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C1 336521676 RFIKQJJBNWWDBT-SSDOTTSWSA-N 295.282 1.513 0 50 CDAA C[C@@H]1CN(C)C[C@H](c2nc(-c3ccon3)no2)O1 527545612 WNYODNPDWSCUQI-VXNVDRBHSA-N 250.258 1.116 0 50 CDAA Cc1ccc(OCC(=O)N(C)[C@H]2CCNC2)c(C)c1 179097443 HUOFNQVXHBTXQU-ZDUSSCGKSA-N 262.353 1.503 0 50 CDAA Cc1nc([C@H](C)Nc2cc(C3CC(N)C3)ncn2)n[nH]1 223757872 YPVPQNDZUVQFSZ-WFRXLMHJSA-N 273.344 1.281 0 50 CDAA O=C(O)[C@H]1CS[C@@H](c2ccc(O)c(Cl)c2)N1 43476809 CJAPWNWFLYPMDO-APPZFPTMSA-N 259.714 1.834 0 50 CDAA Cn1c(SCCc2ncc[nH]2)nnc1[C@@H]1CCCNC1 426712759 OJJUMMUBSOGVRW-SNVBAGLBSA-N 292.412 1.340 0 50 CDAA CC(=O)N1CCN(c2ccc(C=O)c(F)c2)CC1 143892029 SLSVORZSODGVGT-UHFFFAOYSA-N 250.273 1.307 0 50 CDAA CCNc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1 91452363 NLKBDBMVSXVDCA-OLZOCXBDSA-N 261.373 1.078 0 50 CDAA CNC(=O)CCN(C)C(=O)[C@H](c1cccc(C)c1)N(C)C 95392877 JKPSHQARCDPUQI-HNNXBMFYSA-N 291.395 1.192 0 50 CDAA Cc1ccc([C@H](C(=O)NCCCCO)N(C)C)cc1 92077505 WUQNTWLHUKKKBI-CQSZACIVSA-N 264.369 1.486 0 50 CDAA C[C@@H](c1ncnn1Cc1ccccc1)n1cncn1 91830324 OCFIOCHNJWUTAB-NSHDSACASA-N 254.297 1.527 0 50 CDAA Cc1nnc(N2C[C@H](CO)C[C@H](CN3CCCC3)C2)s1 91738452 GZGZOZUZWDUZJG-CHWSQXEVSA-N 296.440 1.377 0 50 CDAA CC(C)(C)OC(=O)N1CCc2[nH]c(=O)ccc2C1 95762091 SYYLNESTCFDFBW-UHFFFAOYSA-N 250.298 1.668 0 50 CDAA COc1cccc(OC)c1-c1cncc(C(N)=O)n1 97657203 NPYWCEJLKMNGNH-UHFFFAOYSA-N 259.265 1.260 0 50 CDAA O=C(c1cncc(-c2cccnc2)n1)N1CCCC1 97745112 SPMPYKVZDKEYNS-UHFFFAOYSA-N 254.293 1.775 0 50 CDAA c1cnn(CCC2CCN(Cc3c[nH]cn3)CC2)c1 97514340 GOOWTZSQTCTHNZ-UHFFFAOYSA-N 259.357 1.909 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1C[C@H]2CC=CC[C@H]2C1 97730295 SVGKOHPQQIKOII-BETUJISGSA-N 259.353 1.994 0 50 CDAA COCCc1noc(C2CCN(C(C)C)CC2)n1 96130668 GCMICEHNQLUPMR-UHFFFAOYSA-N 253.346 1.846 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 245227007 WCFFSIHYUQAEPU-KBNOKHGBSA-N 299.282 1.248 0 50 CDAA Cc1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c(C)o1 183289408 FEKQAFAWXMXEGZ-SNVBAGLBSA-N 296.352 1.301 0 50 CDAA C[C@](O)(Cc1ccccc1)C(=O)N1CC[C@@H](n2cccn2)C1 298292493 PADDIIRAVRWNIS-WBVHZDCISA-N 299.374 1.650 0 50 CDAA Cc1cccc(NC(=O)[C@@H]2CCCN([C@H](C)C(=O)O)C2)n1 299739966 UEMXGWKMQDYYLQ-VXGBXAGGSA-N 291.351 1.514 0 50 CDAA Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCC(=O)O)cc1 299749194 JKBCTBSMPVSEMB-GXTWGEPZSA-N 277.320 1.664 0 50 CDAA C/C=C/CC(=O)N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1 252538927 NJJZJBUMDUBCHY-QKUGQPBVSA-N 266.385 1.208 0 50 CDAA Cc1nnc(SCC(=O)NCc2nccn2C(C)C)o1 534651756 VCZUYZCPMFJRNP-UHFFFAOYSA-N 295.368 1.564 0 50 CDAA C[C@@H](C(=O)NCC1(CN2CCOCC2)CC1)n1cccc1 534585446 KVSXCJZMNSLDSO-AWEZNQCLSA-N 291.395 1.278 0 50 CDAA O=C([C@@H]1CCCCO1)N1CC(Oc2ccc(F)cc2)C1 299802765 PDZOSDUJNGRTBY-AWEZNQCLSA-N 279.311 1.984 0 50 CDAA COc1cccc(C(=O)N(C)C)c1OCCCN 299800333 VRIMLDNXPULTQH-UHFFFAOYSA-N 252.314 1.125 0 50 CDAA Cc1nc(CNC(=O)CCC2CCN(C)CC2)n(C)c1C 299801412 YJLMWINDESAZGK-UHFFFAOYSA-N 292.427 1.775 0 50 CDAA CC(=O)NCCCC(=O)N[C@@H](C)C1=CCCCC1 827989652 LPCINCSZEUAWBE-NSHDSACASA-N 252.358 1.908 0 50 CDAA CCC(CC)(C(=O)O)C(=O)Nc1cncc(C(=O)OC)c1 585134955 QLNLJOGYOBHANF-UHFFFAOYSA-N 294.307 1.698 0 50 CDAA CN(C)C1(CNC(=O)c2cc(O)ccc2N)CCCCC1 823653538 OGZSTBRUBKJLIV-UHFFFAOYSA-N 291.395 1.969 0 50 CDAA NC(=S)NNc1ccc(OC(F)(F)F)cc1 669378994 RSWQFJGITIZHBW-UHFFFAOYSA-N 251.233 1.745 0 50 CDAA Cc1csc([C@@H](C)CNC(=O)N2CCCNC(=O)C2)n1 584884461 HPTRAUFYDWIAMJ-VIFPVBQESA-N 296.396 1.087 0 50 CDAA CN1CCCNC(=O)C12CCN(C[C@H]1CC=CCC1)CC2 670439029 GGDUQUGUJFMEJN-HNNXBMFYSA-N 291.439 1.629 0 50 CDAA Nc1nc(N)c2c(n1)NC(=O)C[C@H]2c1cccc(F)c1 670416072 FXXIJGVLSKOXOT-QMMMGPOBSA-N 273.271 1.254 0 50 CDAA COc1cc(C)nc(NC[C@H](C(=O)O)C2CCOCC2)n1 863735625 YNUUQTFEBGNYQU-NSHDSACASA-N 295.339 1.333 0 50 CDAA C[C@@H]1C[C@H](N)CN[C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 757213059 NNGYGHVINMQSEQ-UVOCVTCTSA-N 265.323 1.242 0 50 CDAA CN(C)C(=O)[C@H]1CCN(C[C@H]2COC3(CCCCC3)O2)C1 952883218 YAGHHSLSIIVZSL-KBPBESRZSA-N 296.411 1.472 0 50 CDAA O=C(c1cccc2c1CNCC2)N1CCC[C@H]2C[C@@H]21 1875315230 METTYADVHYQSSP-WFASDCNBSA-N 256.349 1.957 0 50 CDAA CCCC[C@H]1C=CCN1C(=O)[C@H]1CCCN(CC(N)=O)C1 952867554 OYMAASWJWSBAPR-KBPBESRZSA-N 293.411 1.141 0 50 CDAA COc1ccc(NC(=O)N2C[C@@H](O)[C@H](F)C2)c(C)c1 952986095 HRVKQRUTFXZANV-ZYHUDNBSSA-N 268.288 1.550 0 50 CDAA Cc1cc(=O)c([C@H](CC(=O)O)c2ccncc2)c(O)n1C 888090169 HCFYGAYWMBXTMA-LLVKDONJSA-N 288.303 1.401 0 50 CDAA NC[C@@H](C[C@H](C(=O)O)C(F)(F)F)C(F)(F)F 1772716156 UDXWZFLRNKXLOU-QWWZWVQMSA-N 253.142 1.777 0 50 CDAA O=C([C@@H]1CC=CCC1)N1CCC(Cc2nn[nH]n2)CC1 1352695107 CNWPUMWSEZLQGG-GFCCVEGCSA-N 275.356 1.337 0 50 CDAA CCC[C@]1(CO)CCN(Cc2scnc2C)C[C@H]1O 1529158527 DRFUPCFDKVXDOR-ZIAGYGMSSA-N 284.425 1.797 0 50 CDAA CSC[C@@H](C)NC(=O)NC[C@@H]1CCn2ccnc2C1 583623993 LPOBQUPXDVFCMM-GHMZBOCLSA-N 282.413 1.496 0 50 CDAA CN(C(=O)Cn1ccnn1)[C@H]1CCCC[C@H]1C(F)(F)F 585085391 WKTCZLDVVLEUFV-ZJUUUORDSA-N 290.289 1.858 0 50 CDAA O=C(C1CSC1)N1CCCC[C@@H]1c1cc[nH]n1 633011785 BSSZQNJMXSGGPD-LLVKDONJSA-N 251.355 1.826 0 50 CDAA Cn1ccc(C(=O)N2CC[C@H](O)C23CCCCC3)n1 585113731 YMGCBTBBKWTVOF-LBPRGKRZSA-N 263.341 1.330 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2ccc3nccn3c2)C1 169931615 DNCXYZNOMLCPED-NSHDSACASA-N 273.292 1.271 0 50 CDAA Cc1cc(C(=O)NCc2nnc(N)o2)sc1C 278548390 GGQJEOZZODWYFW-UHFFFAOYSA-N 252.299 1.260 0 50 CDAA COc1ccc(NC(=O)N[C@H](C)C2CCOCC2)nn1 170609641 KBQHYQBETKFMPG-SECBINFHSA-N 280.328 1.422 0 50 CDAA C[C@@H]1COCCN1CCN(C)CC[C@@H]1CCCCN1C 170607444 XHHTUCHDLQGMMP-CVEARBPZSA-N 283.460 1.513 0 50 CDAA Cc1[nH]ncc1C(=O)N[C@H](Cc1ccccc1)CN(C)C 171799582 YNXWBZXBPRWFFZ-CQSZACIVSA-N 286.379 1.621 0 50 CDAA Cc1cc(=NC(=O)[C@H]2CCc3cccc(O)c32)[nH][nH]1 553335890 YHGPHOXRHDLCQV-JTQLQIEISA-N 257.293 1.514 0 50 CDAA C[C@H]1CO[C@H](CO)CN1Cc1cccc2c1CCOC2 639519483 RJBOMXFFYIOGNS-WFASDCNBSA-N 277.364 1.341 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)CN[C@H]2CCCn3nccc32)C1 640215592 GCSCWUCFDJYYJL-MJBXVCDLSA-N 290.411 1.812 0 50 CDAA Cc1occc1C(=O)NCCN1CCOC(C)(C)C1 194906634 HWBVJHPWSUPTHG-UHFFFAOYSA-N 266.341 1.429 0 50 CDAA COc1ccccc1C[C@H]1CCCN1C(=O)c1c[nH]nn1 195030062 FYFGEXHSPIURBM-GFCCVEGCSA-N 286.335 1.661 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1CCC=CCCC1 718985325 WJMHMVIYNZCZOJ-RYUDHWBXSA-N 267.325 1.435 0 50 CDAA Cc1ccc(N2CCN([C@H]3CN4CCC3CC4)CC2)nc1 1506418595 SUYQYBKQUUISJA-INIZCTEOSA-N 286.423 1.606 0 50 CDAA CCc1nccn1C[C@H](C)NCc1cnc(C)cn1 1506405491 DUXDXPTYQLDSPT-LBPRGKRZSA-N 259.357 1.722 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)C1CCCCC1 210167144 OFCVCRIGXGVRQN-NEPJUHHUSA-N 269.341 1.092 0 50 CDAA Cc1ncc(Cl)c(N[C@@H](Cc2ccccc2)C(N)=O)n1 1704304648 HRROOKKLZYWOLI-LBPRGKRZSA-N 290.754 1.947 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(CC(=O)NC1CC1)C2 1704337051 RQZSLTNHWNKYBS-UKRRQHHQSA-N 266.385 1.546 0 50 CDAA O=C(CC1CCOCC1)NCCc1cccc(O)c1 117413118 HWANTLGARHFDES-UHFFFAOYSA-N 263.337 1.868 0 50 CDAA COc1ccc(C(=O)N[C@@]2(C)CCOC2)c(OC)c1 156604214 VUMNTJVEUWPOHP-AWEZNQCLSA-N 265.309 1.613 0 50 CDAA CCc1ccc(CC(=O)N[C@@H]2C[C@@H](N)C23CCC3)nc1 1615555204 OPKKUNJNRLTNAB-ZIAGYGMSSA-N 273.380 1.573 0 50 CDAA N[C@H]1C[C@@H](NC(=O)c2cccn(C3CC3)c2=O)C12CCC2 1615552118 CCWPFTQCOPINHC-QWHCGFSZSA-N 287.363 1.183 0 50 CDAA C[C@H]1CC[C@@H](CNC(=O)c2cn3c(n2)CCC3)N1C 1615622353 JEHPNWVXHYOYRK-QWRGUYRKSA-N 262.357 1.042 0 50 CDAA Cc1nc(-c2ccn3nccc3c2)n(C[C@H](C)O)n1 1857675486 ZMAQKFNCPBPJRU-VIFPVBQESA-N 257.297 1.282 0 50 CDAA Cc1ncsc1CN1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857711303 SAOIKQNIJNOPJY-WOPDTQHZSA-N 268.382 1.423 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)NCC(C)C 13583149 DJMFANIZBBIFNV-UHFFFAOYSA-N 298.408 1.631 0 50 CDAA CO[C@@H]1C[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@@H]2O1 14589944 FHXCXDUEKHFWGP-PEDHHIEDSA-N 266.293 1.223 0 50 CDAA CNC(=O)c1ccc(NC(=O)CCCC(=O)O)cc1 16480431 ZSOFEAQHDSKMKW-UHFFFAOYSA-N 264.281 1.240 0 50 CDAA Cc1cc(NC[C@H](O)c2ccccc2)c2nncn2n1 16623487 OYNWHTGJZVLJHH-ZDUSSCGKSA-N 269.308 1.578 0 50 CDAA O=[P@](O)(CCc1ccncc1)CN1CCOCC1 19730916 YSKNIUWCQRUWSX-UHFFFAOYSA-N 270.269 1.184 0 50 CDAA O=C(O)[C@@H]1COCCN(C(=O)CCc2ccccc2F)C1 1857683010 OTPAYBYPXQRGOS-LBPRGKRZSA-N 295.310 1.318 0 50 CDAA CCO[C@H]1COC[C@@H]1n1ccnc1-c1cn(C)c(C)n1 1857740220 DVFNZRRMIAZRSM-STQMWFEESA-N 276.340 1.568 0 50 CDAA C[C@H]1C[C@H](C)CC[C@@H]1NC[C@@H](Cc1cnn(C)c1)C(N)=O 221830167 VTRNWUXGEIXWOT-OSRDXIQISA-N 292.427 1.478 0 50 CDAA Cc1ncccc1CNC(=O)N1CC[C@H](c2nccn2C)C1 528257085 KLEVYYQSJSKDSM-AWEZNQCLSA-N 299.378 1.823 0 50 CDAA CCN1CCN(C(=O)c2cccc(C)n2)C[C@@H]1c1ncc[nH]1 328617593 CWFIROZJZRQDTB-CQSZACIVSA-N 299.378 1.632 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)CC2(O)CCCCC2)N(C)C1 330547332 CVORUUCIXYKMLV-KBPBESRZSA-N 298.427 1.249 0 50 CDAA O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H]1CO 125081797 KTSKZKTXCWZBQP-MELADBBJSA-N 263.312 1.913 0 50 CDAA Cc1cc(C(=O)N2CCC[C@]2(C)CO)c2n[nH]cc2c1 544774986 WACJBJHJIYXXHM-OAHLLOKOSA-N 273.336 1.858 0 50 CDAA CC[C@H](C)[C@H](C)NC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C 245289821 FJIFGYRNCMHSLD-YFKTTZPYSA-N 290.429 1.638 0 50 CDAA CN[C@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 261805364 WETNABLWEHCQBA-NSHDSACASA-N 260.341 1.178 0 50 CDAA C[C@@H](C(=O)O)N1CCCN(C(=O)CC2CCCC2)CC1 262191319 GCIJYUCQPJVKPV-LBPRGKRZSA-N 282.384 1.574 0 50 CDAA Cc1c[nH]nc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C 585082754 XZMKZLNDUVHTFD-BXKDBHETSA-N 278.356 1.141 0 50 CDAA O=C(NCC1CCNCC1)c1cccc2c1OCCO2 34570624 GPCGWBDMPPASTD-UHFFFAOYSA-N 276.336 1.187 0 50 CDAA in-vitro CCC(=O)N1CCCC[C@H]1C(=O)NCc1ncccc1C 264113557 CDXORPGUTYLIJV-AWEZNQCLSA-N 289.379 1.797 0 50 CDAA Cc1c[nH]cc(C(=O)N2CCC[C@@H]2c2ccnn2C)c1=O 928372132 SAZCDXXJTFHYJU-CYBMUJFWSA-N 286.335 1.394 0 50 CDAA COc1ccc(CN(C)Cc2n[nH]c3c2CCC3)cn1 216420946 LAHUVRHSHNZYGA-UHFFFAOYSA-N 272.352 1.934 0 50 CDAA CS(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1 219279 OVCSPORQJVEJHU-NSHDSACASA-N 288.413 1.107 0 50 CDAA C[C@H](O)CN(Cc1ccc(Cl)cc1)C[C@@H](C)O 279198 DOJAOHHKXIRUFD-PHIMTYICSA-N 257.761 1.904 0 50 CDAA Cc1cc(C)cc([C@H](O)CN2C(=O)[C@H](C)[C@@H](C)C2=O)c1 227756653 GKJUNKIIBPPGPY-YRGRVCCFSA-N 275.348 1.978 0 50 CDAA CCN(CC)C[C@@H](O)COc1ccc2c(c1)OCO2 5073776 LQHAKJFBKRVIHB-LLVKDONJSA-N 267.325 1.497 0 50 CDAA C[C@@]1(CO)CCCN1C(=O)c1c(O)cccc1F 125096501 QOYXVSYANUHIEJ-ZDUSSCGKSA-N 253.273 1.518 0 50 CDAA Cc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)O)cc1 129436712 NGGQWFFJLVXMCJ-ZDUSSCGKSA-N 277.320 1.240 0 50 CDAA CN(Cc1cnns1)C[C@@H]1COc2ccccc2O1 253393844 VQECDKACXBWTHV-SNVBAGLBSA-N 277.349 1.810 0 50 CDAA C1=C[C@H]2C[C@H]1C[C@@H]2CNCCOC[C@@H]1CCCO1 156142467 OYXSPBCNEATJKV-XQLPTFJDSA-N 251.370 1.984 0 50 CDAA CN1CCO[C@@H](CNc2nccc3ccccc23)C1 168702951 LGLRXOPKPZQPTI-ZDUSSCGKSA-N 257.337 1.977 0 50 CDAA CC[C@@](C)(O)CN(Cc1ccccc1)S(C)(=O)=O 190656476 NDHJPJWVGUQGHK-CYBMUJFWSA-N 271.382 1.609 0 50 CDAA CCNc1ncc(C(=O)NCc2ccncc2)cn1 82146924 QOXVAGJFVJKLFF-UHFFFAOYSA-N 257.297 1.233 0 50 CDAA CO[C@H](C(=O)Nc1cccc(CC(=O)O)c1)C1CC1 668278322 BYUSGHSPAHZQHC-ZDUSSCGKSA-N 263.293 1.677 0 50 CDAA Cc1cc(O)nc(CNc2nccc(C(F)(F)F)n2)n1 894376589 GLMAYJUIGASQQX-UHFFFAOYSA-N 285.229 1.912 0 50 CDAA CCCN1CCC[C@@H](Nc2nc(OC)cc(OC)n2)C1 952977810 DAMGSMJHRGHRSS-LLVKDONJSA-N 280.372 1.780 0 50 CDAA CCOc1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1 52325 UADRULWGTXCBKG-GFCCVEGCSA-N 294.376 1.646 0 50 CDAA Cn1cc(C(=O)Nc2ncc3c(n2)CCCC3)ccc1=O 2100556072 CEKFOXIZLSGWKP-UHFFFAOYSA-N 284.319 1.306 0 50 CDAA c1nc(NC[C@@H]2C[C@H]2C2CC2)cc(N2CCOCC2)n1 566050285 QSWKSDZIAYMDNX-STQMWFEESA-N 274.368 1.771 0 50 CDAA CC(C)C[C@@](C)(CO)NC(=O)c1nc[nH]c2nccc1-2 2325757298 YIHJXMXIRNPBSO-AWEZNQCLSA-N 276.340 1.436 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1[C@H]2CC[C@H]1CC1(C2)N=N1 2325781400 NAPOTXUKQAJACC-UWVGGRQHSA-N 299.334 1.989 0 50 CDAA CC[C@@H](C)C(=O)C(=O)N[C@@H](C(=O)N1CCCCC1)C(C)C 2325811298 NDRQCPVMJYHAHI-CHWSQXEVSA-N 296.411 1.755 0 50 CDAA O=C(Nc1cccnc1-n1cccc1)c1ccnnc1 2325824722 NWCJBXNCYGRMHO-UHFFFAOYSA-N 265.276 1.915 0 50 CDAA C[C@H](O)Cc1nccn1Cc1cnc2ccccc2n1 2325879817 IYTDORPOUONZEZ-NSHDSACASA-N 268.320 1.798 0 50 CDAA C[C@@](N)(CO)Cc1ccc(-c2cnn3cccnc23)cc1 864542007 ZTLPHJDZGXJZSL-INIZCTEOSA-N 282.347 1.649 0 50 CDAA C[C@@]12CCCC[C@]1(O)[N+]([O-])=C(C(=O)c1ccccc1)N2 195028 TYZOWQLJIMIXLN-HUUCEWRRSA-N 274.320 1.403 0 50 CDAA Cc1ccc(NC(=O)C[C@@H](C(=O)O)N(C)C)cc1 195826 HDHFGAAGWPZZAB-NSHDSACASA-N 250.298 1.338 0 50 CDAA c1ccc(Nc2nc3nonc3nc2N2CCOCC2)cc1 275886 UBAQHLRWMFEXSH-UHFFFAOYSA-N 298.306 1.593 0 50 CDAA Cc1ccc2nc(N3CCCCC3)c(C=O)c(=O)n2c1 492538 HFXUSQVHWHQZJR-UHFFFAOYSA-N 271.320 1.806 0 50 CDAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1cnccn1)C[C@@H]2O 2356137444 YGRBEGLPTVRRDI-YALNPMBYSA-N 297.358 1.050 0 50 CDAA CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1 2582053 IXJOSTZEBSTPAG-UHFFFAOYSA-N 261.324 1.457 0 50 CDAA in-vitro N[C@H](CC(=O)O)c1cccc(I)c1 2582508 ZBOWULRIADNEHR-MRVPVSSYSA-N 291.088 1.766 0 50 CDAA CCCCc1nnc(NC(=O)[C@@H]2CCCO2)s1 2879304 WDKPHVLHTYPRCA-QMMMGPOBSA-N 255.343 1.998 0 50 CDAA CN(C)CC(C)(C)CNC1C[C@@H]2CC[C@H](C1)N2C 3683608 BXNZKYSFVBMRQS-AGUYFDCRSA-N 253.434 1.789 0 50 CDAA NC(=O)[C@H]1CCCc2c1[nH]c1c(C(=O)O)cccc21 4029562 LATKPJLZFSPXHT-VIFPVBQESA-N 258.277 1.771 0 50 CDAA biogenic CC(C)Cc1nnc(CNC(=O)Nc2ccncc2)o1 225838179 AXGOZIVHMQRQEG-UHFFFAOYSA-N 275.312 1.985 0 50 CDAA Cc1nnc2sc(CCc3ccccc3)nn2c1=O 8400826 OBVVAJZTAMJVGZ-UHFFFAOYSA-N 272.333 1.640 0 50 CDAA COc1cnc(NC(=O)N2C[C@@H](C)[C@](C)(CN)C2)s1 415663138 YDQWFDOBMFQXJN-PRHODGIISA-N 284.385 1.600 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)c2ccoc2Cl)C1 310436993 RLFDIWDQCYHFID-YUMQZZPRSA-N 259.689 1.155 0 50 CDAA Cc1cccc(CCNC(=O)N(C)CCN(C)C)c1 176291243 XEAOTGHUZWFSBM-UHFFFAOYSA-N 263.385 1.741 0 50 CDAA CN(C)C(=O)[C@H]1CCCN1C(=O)COCc1ccccc1 67675522 LTKVXEOMVSAQAN-CQSZACIVSA-N 290.363 1.282 0 50 CDAA CN1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO 20599924 RNOFYACKXWINOM-LBPRGKRZSA-N 291.420 1.795 0 50 CDAA COc1ccccc1CNC(=O)N1CCN2CCC[C@@H]2C1 171807179 NFGKUCUXGQOFLT-CQSZACIVSA-N 289.379 1.685 0 50 CDAA CSC[C@H](C)C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 422040877 SQQXOZGZVFCVDP-ZANVPECISA-N 294.376 1.849 0 50 CDAA O=C(Nc1ccc(O)cc1)c1cccc(-n2cnnn2)c1 20427202 KDFXBMVHUUQOSX-UHFFFAOYSA-N 281.275 1.620 0 50 CDAA CC(C)(C)OC(=O)N1CCC(N2CC[C@H](N)C2)CC1 26896583 AXSZRIFILNLUSR-NSHDSACASA-N 269.389 1.419 0 50 CDAA NC1CC(c2cc(NCC3(CO)CCC3)ncn2)C1 219311620 PWEYUAGPTGMBLV-UHFFFAOYSA-N 262.357 1.256 0 50 CDAA CS(=O)(=O)Cc1ccc(-c2ccccc2C(=O)O)nc1 215385421 TVGOWHWZVBIDHW-UHFFFAOYSA-N 291.328 1.991 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(O)nc1 253622945 ZFOOWBVUPKFMAU-WCQGTBRESA-N 290.319 1.645 0 50 CDAA CNC(=O)c1cccc(CNC(=O)c2ccc(O)c(C)c2)c1 436921419 JWZFOSGNUFPRMJ-UHFFFAOYSA-N 298.342 1.990 0 50 CDAA CN(C)C[C@]1(CO)CCCN(Cc2ccoc2)C1 216320495 HMQWMHANIDVGEF-CQSZACIVSA-N 252.358 1.416 0 50 CDAA CCO[C@H](C)C(=O)N(C)C[C@@H]1CCc2nccn2C1 328624734 KCUBDQCSGSNBFC-NEPJUHHUSA-N 265.357 1.329 0 50 CDAA Cc1ccc([C@@H]2CN(CCCO)C[C@H]2N(C)C)cc1 77471183 PKIZAOASAAXPBA-JKSUJKDBSA-N 262.397 1.707 0 50 CDAA CCC1=NO[C@@H](CNC(=O)c2nc3ccccn3c2F)C1 215251590 CEIIVRCIVQYOLR-SNVBAGLBSA-N 290.298 1.758 0 50 CDAA Cc1cc2cc(C(=O)N3CCC[C@@H]3C(N)=O)ccc2o1 215023791 RXHUNPSFQGUILV-GFCCVEGCSA-N 272.304 1.831 0 50 CDAA COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](C)O 32126407 OGEDMEOSYWRQIV-ZETCQYMHSA-N 279.745 1.008 0 50 CDAA Cc1c([C@H]2CCCN2C(=O)/C=C/CN(C)C)cnn1C 371379890 RTCOSMJWLXIKPL-IZPAUZPXSA-N 276.384 1.510 0 50 CDAA Cc1c(N[C@@H]2CCN(C)C2=O)cnn1-c1ccccc1F 126724626 RSDVOLZLWMUWPM-GFCCVEGCSA-N 288.326 1.962 0 50 CDAA C[C@@H]1CCO[C@H]1C(=O)NCCc1cn2c(n1)CCCC2 157655663 SWJMXVFADGGJEQ-BXUZGUMPSA-N 277.368 1.303 0 50 CDAA O=C(c1cccc(-n2cccn2)c1)N1CC([C@@H]2CCOC2)C1 373426145 KOQYVTQPDFJQPU-CQSZACIVSA-N 297.358 1.981 0 50 CDAA COc1ccccc1/C(C)=C/C(=O)N1CCCNCC1 237089830 CUKJEAACUHMLHF-OUKQBFOZSA-N 274.364 1.920 0 50 CDAA O=S(=O)(c1cccc2ccoc12)N1CCC[C@H]1CO 333450833 RRUBEWFNHCUZJL-NSHDSACASA-N 281.333 1.578 0 50 CDAA C[C@H]1c2ccccc2CCN1C(=O)CNC[C@@H]1CCCO1 237383683 RKTHTXVRCVFLTL-ZFWWWQNUSA-N 288.391 1.901 0 50 CDAA Cc1ccccc1-n1ncc(C(=O)N2CC[C@@H](N)C2)c1C 237737724 HMDAUZKXLFNKJH-CYBMUJFWSA-N 284.363 1.662 0 50 CDAA CCCN(C)Cc1cc2n(n1)CCCN(CCC(=O)O)C2 72156179 KTYGTYGZJXFUSD-UHFFFAOYSA-N 294.399 1.405 0 50 CDAA O=C(O)CN1CCN(c2ccnc(-c3ccccc3)n2)CC1 238163034 KMUPFHHXLZIUGP-UHFFFAOYSA-N 298.346 1.350 0 50 CDAA Cc1c[nH]c(CCNC(=O)c2cc(C(C)C)on2)n1 77379441 LDRDNQWHERTGQT-UHFFFAOYSA-N 262.313 1.802 0 50 CDAA CN1C(=O)N[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 284758686 WEQHRPFDCLVOEJ-OLZOCXBDSA-N 263.316 1.424 0 50 CDAA C[C@@H]1CN(Cc2cccnc2)C[C@H]1C(=O)N1CCOCC1 284772470 HGQWWUAMUUKXNQ-UKRRQHHQSA-N 289.379 1.008 0 50 CDAA C[C@H](N[C@@H](CCO)C1CCCCC1)c1ccc(=O)[nH]n1 285967209 GYSWILDCVTWWHK-FZMZJTMJSA-N 279.384 1.752 0 50 CDAA CC(C)(C)OC(=O)[C@H]1CN(Cc2ccncc2)CCO1 610476699 GZSDTRYIKTVUGJ-CYBMUJFWSA-N 278.352 1.624 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@H]2CC(=O)O)O1 263333060 VLANOLYFLOXLRI-IJLUTSLNSA-N 285.340 1.036 0 50 CDAA CN(CC1(CO)CCOCC1)C(=O)CCc1cccnc1 82086984 JFNGEFMPGHBVAA-UHFFFAOYSA-N 292.379 1.262 0 50 CDAA CNCC(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 82092633 OOTRLFJMQFVPRM-UHFFFAOYSA-N 282.771 1.929 0 50 CDAA O=C(c1ccc(O)cn1)N1CCC2(CCOCC2)CC1 222388121 YBOGVFMAOMHCJY-UHFFFAOYSA-N 276.336 1.820 0 50 CDAA C[C@@H](NC(=O)c1cnc(O)cn1)c1cn2ccsc2n1 220061647 VLPWIQIOLYUCSD-SSDOTTSWSA-N 289.320 1.382 0 50 CDAA O=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccoc1 82139074 KZQHNCATWFRTMP-UHFFFAOYSA-N 297.314 1.765 0 50 CDAA CCN(Cc1nc(COC)no1)C(=O)[C@@H](C)n1cccn1 426475422 LIWBIHIPSAVDKP-SNVBAGLBSA-N 293.327 1.022 0 50 CDAA Cc1cnn(CC(=O)N[C@H]2COC3(CCCCC3)C2)c1 426361923 JWCKFXOGPCLBJY-CYBMUJFWSA-N 277.368 1.800 0 50 CDAA COc1ccc(-c2nc(C(=O)N(C)C)n[nH]2)cc1OC 426538377 OBZSVWNBGZBHCN-UHFFFAOYSA-N 276.296 1.191 0 50 CDAA Cc1nc(CCNC(=O)c2ccn(C(C)C)n2)no1 426434846 MJNKMHJUWVSPBJ-UHFFFAOYSA-N 263.301 1.128 0 50 CDAA CCCCn1ccnc1C1CCN(C(=O)C2(N)CC2)CC1 91493900 BWDBZHDLNIUTPU-UHFFFAOYSA-N 290.411 1.881 0 50 CDAA CN(C)Cc1ccc(-c2nc([C@H]3CCOC3)no2)o1 96161845 GQDSJLCMEVPULA-VIFPVBQESA-N 263.297 1.895 0 50 CDAA O=C(O)c1csc2nc(-c3ccccc3)nn2c1=O 91368612 DRJDUYKDXQXQSK-UHFFFAOYSA-N 273.273 1.516 0 50 CDAA Cc1nn(C)cc1C(=O)N1CC[C@H](N2CCCCC2)C1 334456681 AXHMUKREZXOAIU-ZDUSSCGKSA-N 276.384 1.429 0 50 CDAA N[C@H]1C[C@@H](c2cc(NCCc3cscn3)ncn2)C1 244748797 OONMBJUETDXMKK-AOOOYVTPSA-N 275.381 1.792 0 50 CDAA CCc1ocnc1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 267746503 VXNXCTAWDVKAFH-VIFPVBQESA-N 279.340 1.366 0 50 CDAA O=C(NCCCn1ccnn1)[C@H]1Cc2ccccc2S1 343883397 ONHNRZBFWUFNGO-CYBMUJFWSA-N 288.376 1.501 0 50 CDAA COC(=O)[C@@]1(N)C[C@]1(C)c1ccc(Br)cc1 521399721 KXGDFZBDHKTHEN-NEPJUHHUSA-N 284.153 1.981 0 50 CDAA O=C(O)C[C@H]1[C@@H]2C[C@@H]3[C@H]4[C@@H]5[C@@H](C[C@H]1[C@@H]5[C@H]24)[C@@H]3CC(=O)O 257357092 LYTPPZLDGPSXGB-ROEAQCKCSA-N 276.332 1.946 0 50 CDAA Cc1nn([C@@H]2CC(=O)[C@H]3OC[C@H]2O3)c(=S)s1 254489065 QMKPZJRWARXWIR-NJUXHZRNSA-N 258.324 1.238 0 50 CDAA Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)[C@H]4OC[C@@H](O4)[C@H]23)cc1 254771168 IWMIXZGEYZWXFT-KLFGWDPYSA-N 258.273 1.364 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 299384429 HVHXEUNBSGKMHC-SECBINFHSA-N 263.297 1.224 0 50 CDAA CCCN1CCCC[C@H]1C(=O)N1CC[C@H](CN)C1 299738947 ISYQZVAYSSWJKE-OLZOCXBDSA-N 253.390 1.058 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@@H]([C@@H](C)N)C2)cn1 299738822 GWEGYSOPVGKASS-TZMCWYRMSA-N 261.369 1.518 0 50 CDAA C[C@H](C(=O)O)N1CCC[C@H](N2CCCCCC2)C1 299750049 MNKMODSDNADTRD-OLZOCXBDSA-N 254.374 1.800 0 50 CDAA COc1nc(N2CCC[C@H](CCN)C2)ncc1F 534578241 XVKIGBFUEKGOKD-SECBINFHSA-N 254.309 1.190 0 50 CDAA COC(=O)c1cnc2c(Br)cnn2c1 261207269 NOZJFOQCUQDFOR-UHFFFAOYSA-N 256.059 1.278 0 50 CDAA CCCn1ccnc1CNC(=O)[C@@H](C)n1cc(C)cn1 534655569 UQWCTMCNNRLBPA-GFCCVEGCSA-N 275.356 1.675 0 50 CDAA CCOc1ccnc(N[C@@H]2CCCN(C(C)=O)C2)n1 534631065 KMZOFOORENLCPV-LLVKDONJSA-N 264.329 1.298 0 50 CDAA CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1 532373546 OWHMIYFGLNNZNK-CYDGBPFRSA-N 250.342 1.160 0 50 CDAA COc1ccc(C(=O)N=c2cc(-c3ccco3)[nH][nH]2)cn1 1940196039 FYLQIDFYQDAHCQ-UHFFFAOYSA-N 284.275 1.748 0 50 CDAA N[C@H]1CN(C(=O)CCc2ccc(O)cc2)C[C@@H]1C1CC1 91679536 KXPMRJWQESRLFK-CABCVRRESA-N 274.364 1.521 0 50 CDAA COc1cccc(C(=O)NC2CC2)c1OCCCN 299770861 RREFPEVVOABQRE-UHFFFAOYSA-N 264.325 1.315 0 50 CDAA CC(C)n1ccnc1CNC(=O)N1C[C@H]2CC[C@@H](C1)NC2 827977167 MGCCNEIIJAYNTG-STQMWFEESA-N 291.399 1.357 0 50 CDAA CSCCC(=O)N[C@@H]1CC(=O)Nc2ccccc21 584893447 CTRURNPBUFSXNV-LLVKDONJSA-N 264.350 1.939 0 50 CDAA Cc1ccc(C(=O)NCCN=c2cc[nH]cc2C)cc1O 828152599 YVAMFGWLGKLJDO-UHFFFAOYSA-N 285.347 1.668 0 50 CDAA Cc1nnc(CCn2cnc3cccnc3c2=O)s1 584894613 SWHWSUCQWOYOOY-UHFFFAOYSA-N 273.321 1.194 0 50 CDAA O=C(NC[C@@H]1CCCN(c2ccncc2)C1)c1ccon1 828228720 FOCOEADWGGVEKS-LBPRGKRZSA-N 286.335 1.716 0 50 CDAA Cc1cnccc1C(=O)N1CCOC[C@@H](CN(C)C)C1 823690255 SZHYYSMMFJURCG-ZDUSSCGKSA-N 277.368 1.040 0 50 CDAA Cc1nonc1CN(C)Cc1cnc2ccccc2n1 670446604 WAAXUIDHOQSVLL-UHFFFAOYSA-N 269.308 1.953 0 50 CDAA COCCCCN1CCN(C(=O)c2ccn(C)c2C)CC1 584884080 WRXQJWDBKRMCIA-UHFFFAOYSA-N 293.411 1.518 0 50 CDAA CN1C[C@@]2(CCN(Cc3ccsc3)C2)OCC1=O 670441525 OCXYODHPPRIKMR-CYBMUJFWSA-N 266.366 1.181 0 50 CDAA CNC(=O)C[C@@H]1CCN(Cc2cc(CC(C)C)[nH]n2)C1 670449786 KMFFRWYSGHOZIW-LBPRGKRZSA-N 278.400 1.566 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC(C)(C)C1=CCCC1 861941014 MKDFFTVQBRSOCB-UHFFFAOYSA-N 264.369 1.884 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)c1cccc(N2CCCC2=O)c1 268968942 FTAOGHIXCHOOJG-JTQLQIEISA-N 290.319 1.359 0 50 CDAA CC(C)c1ccccc1NC(=O)N1C[C@H](N)[C@@H]2COC[C@@H]21 1875291017 LORJBLCHFPWXMG-YDHLFZDLSA-N 289.379 2.000 0 50 CDAA O=C(CC1CCCC1)N1CC2(COC2)[C@](F)(C(=O)O)C1 1875270999 BQMBCXIWGGRSHT-CQSZACIVSA-N 285.315 1.218 0 50 CDAA C[C@H](ONC(=O)[C@@H]1CCCC12OCCO2)c1ccncc1 1875298168 PZXDTNCFFZMBSU-AAEUAGOBSA-N 292.335 1.734 0 50 CDAA Cc1cc(C)n(CCOC(=O)[C@H]2CC23CCCC3)c(=O)n1 1875293408 OXSDGYLDNOTRRD-CYBMUJFWSA-N 290.363 1.984 0 50 CDAA C[C@@H]1NC(=O)O[C@@]12CCN(c1ncnc3[nH]ccc13)C2 1875294616 KTDFIPPHNWONOP-ISVAXAHUSA-N 273.296 1.035 0 50 CDAA C[C@H](N)Cn1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1 1875339574 OVMLFFXYAIBKFX-JTQLQIEISA-N 298.350 1.037 0 50 CDAA Cc1cc([C@@H]2NC(=O)c3ccc(F)cc3N2)nn1C 877848358 KWJLZQCPYRHJOB-LBPRGKRZSA-N 260.272 1.722 0 50 CDAA N=C(N)c1nn(Cc2ccccc2F)c2ncccc12 72194098 LQCFFAGUCURQEC-UHFFFAOYSA-N 269.283 1.903 0 50 CDAA in-vitro CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)c2cc(F)c[nH]2)C1 886075570 OHMYTDIJOXHHQC-SCRDCRAPSA-N 295.358 1.525 0 50 CDAA CCOC(=O)c1[nH]nc(NC(=O)[C@H](C)C2CC2)c1C 888131911 FUIOHPGBDKTOSK-SSDOTTSWSA-N 265.313 1.879 0 50 CDAA CC(C)c1nc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)c2cc[nH]c2n1 896971013 YOKYMYHQYVVLBH-WCQGTBRESA-N 290.367 1.768 0 50 CDAA C=CC(=O)N1CCC(c2nocc2C(=O)O)CC1 1776004654 NOQAVDKVCSWJLL-UHFFFAOYSA-N 250.254 1.265 0 50 CDAA O=C(CCCc1ccc(F)cc1)NC[C@H]1CCNC[C@@H]1O 1565512818 OXCRQQCFLRZFRH-HIFRSBDPSA-N 294.370 1.235 0 50 CDAA Cc1sccc1C(=O)NS(=O)(=O)C[C@@H]1CCCO1 408495965 OUPKLIKMHVPJIR-VIFPVBQESA-N 289.378 1.295 0 50 CDAA Cc1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)ccn1 408448641 YTTMJZRUNJHMAK-UHFFFAOYSA-N 285.351 1.086 0 50 CDAA CCN(CCN1CCOCC1)Cc1nnc(C)s1 1232247327 WFMMZNUVNUAAAW-UHFFFAOYSA-N 270.402 1.001 0 50 CDAA C[C@H](NC(=O)N(C)C[C@@H]1CCCC[C@@H]1O)c1cn[nH]c1 272621059 UNFYPPZFOKULIA-GVXVVHGQSA-N 280.372 1.663 0 50 CDAA 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CDAA Cc1ccc(-n2cc(C(=O)N3CCN[C@H](C)C3)nn2)cc1 188416259 IAQREGKRCFLHIQ-GFCCVEGCSA-N 285.351 1.010 0 50 CDAA C[C@H]1CN(c2cc(C(C)(C)C)ncn2)C[C@@H](C)N1CCO 663970650 HBSBBVRVFUJXPB-BETUJISGSA-N 292.427 1.665 0 50 CDAA Cc1c(NC[C@@H]2CCO[C@H]2c2nccn2C)cnn1C 667922582 NCYZNJAQNQQGAS-WCQYABFASA-N 275.356 1.652 0 50 CDAA O=C(NOC1CCOCC1)[C@@H]1CCCc2cccnc21 768005195 SWEFVQHGFOTVPH-CYBMUJFWSA-N 276.336 1.728 0 50 CDAA COC(=O)c1ccc(N)cc1I 207672372 HFUFVDKYNJFXIE-UHFFFAOYSA-N 277.061 1.660 0 50 CDAA CCNC(=O)C1CN(Cc2c(CC)nn(C)c2CC)C1 459600474 ARYRYWYEAXDZQW-UHFFFAOYSA-N 278.400 1.113 0 50 CDAA Cc1cc(C)cc(CC(=O)N(CCO)Cc2ncc[nH]2)c1 1704325959 PUWZEAKSLCPWSJ-UHFFFAOYSA-N 287.363 1.590 0 50 CDAA COCc1nc(C)cc(N(C)Cc2ccc(N)nc2)n1 135983166 AGIWIWAOZYILTG-UHFFFAOYSA-N 273.340 1.545 0 50 CDAA C[C@@H](CN(C)c1nnc(C(F)(F)F)s1)C(=O)O 160245912 LTHOGAUMWKGKIE-BYPYZUCNSA-N 269.248 1.714 0 50 CDAA Cc1ccc2c(c1)N(Cc1nnc3n1CCOCC3)CC2 1614994901 WOLBDSJICYVLIW-UHFFFAOYSA-N 284.363 1.722 0 50 CDAA 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COCc1nc(C)cc(NCc2nc(C)cc(O)n2)n1 894375955 BIJBLCUVQREQRH-UHFFFAOYSA-N 275.312 1.348 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(N)=O 91304182 HQXARKCBWUAVTN-SECBINFHSA-N 254.330 1.509 0 50 CDAA in-vitro COC(=O)[C@@H](C)NC(=O)c1cc(F)cc2nc(S)[nH]c12 163539799 WJBNEPQGRLVUFG-RXMQYKEDSA-N 297.311 1.282 0 50 CDAA C[C@@H]1CN(CC(=O)N2[C@H](C)CCC[C@H]2C)[C@H](C)CO1 247946351 IGEPMHBDBSMXOY-AAVRWANBSA-N 268.401 1.885 0 50 CDAA COCCNCCNC(=O)c1ccc(F)c(C)c1 212773617 XCQSHRYRVJDGMY-UHFFFAOYSA-N 254.305 1.100 0 50 CDAA Cc1nc([C@H]2CCCCN2C(=O)c2cc[nH]n2)n[nH]1 407980107 ILQCPHGVHXYWIY-SNVBAGLBSA-N 260.301 1.204 0 50 CDAA Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)n2cncn2)cs1 187100072 GCJOCPRIVPDZOS-BXKDBHETSA-N 291.380 1.968 0 50 CDAA Cc1ccccc1OCCN1CC[C@](O)(c2cnn[nH]2)C1 583618449 WEONMODKOOWVDB-OAHLLOKOSA-N 288.351 1.085 0 50 CDAA CC1CC(NC(=O)C(F)(F)C(=O)NC2CC(C)C2)C1 583652044 YWBDIOCCGOUITA-UHFFFAOYSA-N 274.311 1.451 0 50 CDAA O=C(NC1(CO)CCSCC1)c1ccn2ccccc12 585121075 FHAPPLKQGUHWBV-UHFFFAOYSA-N 290.388 1.927 0 50 CDAA CC(C)[C@H](NCC(F)(F)F)C(=O)NCCCCO 585108315 FBOMVOXWRGCYMT-VIFPVBQESA-N 270.295 1.052 0 50 CDAA CC(C)C[C@@H]1COCCN1C(=O)Cc1cncnc1 278781276 HMQDVRZZQVHWMC-CYBMUJFWSA-N 263.341 1.293 0 50 CDAA CC[C@@H](CO)NC(=O)NCc1ccc(Cl)cn1 170602227 BORZUGUWOBMBCM-VIFPVBQESA-N 257.721 1.305 0 50 CDAA COCC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 170620494 GDRYYCVRBSXIPO-UHFFFAOYSA-N 285.727 1.416 0 50 CDAA COc1cccc(-c2noc(-c3n[nH]nc3C)n2)c1 170618577 VPAURUHLYDJVNS-UHFFFAOYSA-N 257.253 1.839 0 50 CDAA O=C(CC(F)(F)F)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 644072553 SDDKNCROQMMTLQ-BBBLOLIVSA-N 280.290 1.043 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 195554600 UUIVQKHBAVRWQA-XNISGKROSA-N 293.455 1.835 0 50 CDAA Cc1ccccc1[C@H]1C(=O)NCCN1CCOCC(F)F 195577391 ZQJHHHAMMDSYFD-AWEZNQCLSA-N 298.333 1.750 0 50 CDAA O[C@]1(c2cnn[nH]2)CCCN(CC2CCCCC2)C1 794009377 MITJJSIIRQKSIV-CQSZACIVSA-N 264.373 1.668 0 50 CDAA COc1cc(N(C)Cc2nc3ccccc3n2C)nc(N)n1 1506405073 XCIWWZJBGSWIAC-UHFFFAOYSA-N 298.350 1.591 0 50 CDAA COc1cc(CNC(=O)C2CC2)cc(OC)c1OC 303310 HHABZLMBXGDPQK-UHFFFAOYSA-N 265.309 1.739 0 50 CDAA COC[C@@H]1CCN1C(=O)c1cnn(C(C)C)c1C 354050415 XUSIEQLADJOSPM-NSHDSACASA-N 251.330 1.633 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2cccc(F)c2Cl)CCO1 147379732 OTVSDQFCXSNXKZ-SECBINFHSA-N 287.674 1.405 0 50 CDAA Cc1ccc(-c2noc(C[C@@H]3CC(=O)NC3=O)n2)cc1F 1615001864 DHULIGSECDFWKC-VIFPVBQESA-N 289.266 1.389 0 50 CDAA CN1C[C@@H](CN2CC(Oc3ccccc3)C2)CCC1=O 1775983215 ZJMLRSGCWFXZPI-ZDUSSCGKSA-N 274.364 1.618 0 50 CDAA Cc1[nH]c(=N)[nH]c1C(=O)N[C@@H](C)Cc1ccsc1 1857694495 PQYKPYWMJUFUET-ZETCQYMHSA-N 264.354 1.553 0 50 CDAA CC1=C(c2ccccc2)[C@H]1C(=O)N1CCS(=O)(=O)CC1 1857695972 GRJRINFIVQYEDI-AWEZNQCLSA-N 291.372 1.347 0 50 CDAA CCc1noc(C)c1C(=O)NCCN1CCCCC1 16603619 HMKJKXRAONYFEH-UHFFFAOYSA-N 265.357 1.761 0 50 CDAA O=C(CC1CCCCC1)NCCCN1CCOCC1 19823304 MAFUXCUJOLAEBC-UHFFFAOYSA-N 268.401 1.795 0 50 CDAA CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)OC1=S 4471404 LKWWKIWDKGBCCU-BJMVGYQFSA-N 263.274 1.530 0 50 CDAA CN(Cc1cc(-c2ccccc2)n[nH]1)c1n[nH]c(=N)s1 1857682776 RXNXSRCFBCCICB-UHFFFAOYSA-N 286.364 1.977 0 50 CDAA O=C1CC2(CCN(Cc3cccc(F)c3)CC2)OCCN1 1857688429 IZYOLYRMWJXYHD-UHFFFAOYSA-N 292.354 1.697 0 50 CDAA Cc1[nH][nH]c(=Nc2ccccc2)c1NC(=O)[C@H]1CCOC1 1857711466 BDXNEWIJIBNQSN-NSHDSACASA-N 286.335 1.859 0 50 CDAA Cc1cccc(CCN2CCN3[C@@H](C)COC[C@H]3C2)n1 1875242897 HJJXMFPQFDFLEP-GOEBONIOSA-N 275.396 1.337 0 50 CDAA CC(C)c1cccc(S(=O)(=O)N[C@@H](CN)C2CC2)c1 124649486 SGSRAEFHOKHKES-AWEZNQCLSA-N 282.409 1.826 0 50 CDAA Cc1noc(C)c1C[C@H](C)C(=O)NC1(C(=O)O)CCCC1 237513032 ZBTPSDWNOOJPOS-VIFPVBQESA-N 294.351 1.984 0 50 CDAA O=C(CCc1cc(F)ccc1F)NC1(C(=O)O)CC1 238078820 BOMSQTJWZJEPHQ-UHFFFAOYSA-N 269.247 1.631 0 50 CDAA O=C(O)[C@@H]1c2ccccc2CCN1C(=O)Cc1cncnc1 663147534 LRGVVKFDCUVZNI-HNNXBMFYSA-N 297.314 1.230 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)[C@H](C)CO1 246832385 APCVUWVIOPHFEM-DDHJBXDOSA-N 269.341 1.513 0 50 CDAA Nc1nc[nH]c(=NCCc2cnc(C3CC3)nc2)c1Cl 390835202 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OC[C@H]1COCCN(Cc2c(F)cccc2Cl)C1 72435693 OUPCLNTYWZASDR-JTQLQIEISA-N 273.735 1.920 0 50 CDAA CC(=O)CCC(=O)N1CCCCC[C@H]1C[C@H](C)O 310609135 BHTSGPUNOZUYML-STQMWFEESA-N 255.358 1.898 0 50 CDAA Cc1cc(C(=O)NC2CC(CO)C2)c2c(C)noc2n1 620886472 DAJBWXYUYBDOEC-UHFFFAOYSA-N 275.308 1.340 0 50 CDAA O[C@H](CN1CCC([C@@H]2CCOC2)CC1)c1cccnc1 828778879 FMNBLCAMHJMLCB-HZPDHXFCSA-N 276.380 1.864 0 50 CDAA CS(=O)(=O)c1cccnc1-c1ccc(CCN)cc1 2100539804 ZCXQDJSQSPJOEY-UHFFFAOYSA-N 276.361 1.653 0 50 CDAA COCCCn1c(N2CC[C@@H]3C[C@@H]3C2)nnc1C(C)(C)O 2325769401 MWZHTJSQPPOPCG-VXGBXAGGSA-N 294.399 1.388 0 50 CDAA Cc1ccccc1NC(=O)c1nccnc1C(=O)O 187136 IXRJNAJTYZVMNW-UHFFFAOYSA-N 257.249 1.736 0 50 CDAA O=C(NC1CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 350867 WZJOTKOBUBYFQS-SECBINFHSA-N 262.284 1.457 0 50 CDAA CCOc1ccccc1N(CC(=O)OC)S(C)(=O)=O 379282 BDAHFWAWRLNRQZ-UHFFFAOYSA-N 287.337 1.024 0 50 CDAA CCOc1ccc(N(C)C(=O)[C@@H]([C@@H](C)O)N(C)C)cc1 2039712 MCLMACLXARTOSR-BXUZGUMPSA-N 280.368 1.359 0 50 CDAA CSCC[C@@H](NC(=O)c1cccnc1)C(=O)O 2115982 XPOZUYPEUMYKMV-SECBINFHSA-N 254.311 1.018 0 50 CDAA biogenic Fc1ccc(OCc2nn3cnnc3s2)cc1 2440838 PITJAQAIMUVEJC-UHFFFAOYSA-N 250.258 1.904 0 50 CDAA O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H]1CCCO1 2876055 KJGDRASVEJHULE-LBPRGKRZSA-N 289.784 1.938 0 50 CDAA O=C(CCCn1cncn1)N1CCc2sccc2C1 54151718 KGRKQTPQLJLIGK-UHFFFAOYSA-N 276.365 1.705 0 50 CDAA Cc1ncsc1-c1nc(-c2cc(C(N)=O)c[nH]2)no1 225556670 LOGGNXHDKNWJPW-UHFFFAOYSA-N 275.293 1.596 0 50 CDAA C[C@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CCCC1=O 27748944 SKQJXFIFVWTIIF-OKILXGFUSA-N 295.427 1.378 0 50 CDAA CC(C)=CCN1CCO[C@H](CCNC(=O)C2CCC2)C1 67846833 NRGBKHAGBBTWQQ-OAHLLOKOSA-N 280.412 1.960 0 50 CDAA CC1CCN(C(=O)CCN[C@H](C)Cn2cccn2)CC1 67604959 CCMSCFJYNOGTGK-CQSZACIVSA-N 278.400 1.510 0 50 CDAA CCOc1cc(/C=C2/SC(=O)N(CO)C2=O)ccc1O 22205922 DRKJWTUSVHUVQM-IZZDOVSWSA-N 295.316 1.777 0 50 CDAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H](O)C2)c1 229106384 HNZDHDXQVMWVQW-CABCVRRESA-N 279.380 1.500 0 50 CDAA 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HCWHDVPKOBFGKK-JTQLQIEISA-N 287.319 1.080 0 50 CDAA COCc1noc(CNC(=O)Cc2ccsc2)n1 218856716 GEZILNNEPIJTIC-UHFFFAOYSA-N 267.310 1.136 0 50 CDAA CC(C)(Br)C(=O)OCCN1CCOCC1 38343223 XEXMMWOKORAPHR-UHFFFAOYSA-N 280.162 1.035 0 50 CDAA COc1cccc(Cl)c1C(=O)N1CC[C@@H](C(=O)O)C1 237265177 VGMPNIUAXWHUCJ-MRVPVSSYSA-N 283.711 1.895 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N1CCC(OC2CCCC2)CC1 261975676 QZTJXLPLWAFINZ-DOMZBBRYSA-N 296.411 1.314 0 50 CDAA CCN1CCCC[C@H]1Cn1cnc2ccncc2c1=O 32547797 GUZTVLIQQLTXAN-LBPRGKRZSA-N 272.352 1.666 0 50 CDAA CC(C)N1CCC(NC(=O)Cn2cc(C3CC3)nn2)CC1 159317862 ICBCXQZYWNTDKT-UHFFFAOYSA-N 291.399 1.145 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 238090776 XIJJYDDFIFCGCD-WCQYABFASA-N 291.372 1.950 0 50 CDAA CC(C)c1nccc(N2CCN(CCO)C[C@@H]2C)n1 450956654 SCDGIDPKOOUCMU-LBPRGKRZSA-N 264.373 1.103 0 50 CDAA CN1C(=O)NCC12CCN(Cc1ccccc1F)CC2 335538251 DZYNSWAGNOTCPR-UHFFFAOYSA-N 277.343 1.815 0 50 CDAA N[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 132238163 HABNUFGQZGZHKX-SNVBAGLBSA-N 274.299 1.185 0 50 CDAA CC(C)OC1CCN(C(=O)c2csc(O)n2)CC1 525934551 NRJZDJPDTWWLCN-UHFFFAOYSA-N 270.354 1.878 0 50 CDAA COc1ccccc1OCCn1ncc2c1C[C@H](O)CC2 527120246 IJAKHYHJVNYRFD-CYBMUJFWSA-N 288.347 1.820 0 50 CDAA Cn1ncnc1CCNC(=O)Cc1ccc(O)c(Cl)c1 220500754 LSCJYCKTEUGQIH-UHFFFAOYSA-N 294.742 1.076 0 50 CDAA O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 177592987 KOMHLKVBBKDKRK-SNVBAGLBSA-N 270.292 1.401 0 50 CDAA C[C@H]1CCCCN1NC(=O)c1cnn(C)c1-n1cccc1 822409512 BXCVHXKGQUPQCV-LBPRGKRZSA-N 287.367 1.730 0 50 CDAA Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@H](CN)C1 178578586 MNITYQZAKWKYOX-HMDXOVGESA-N 282.775 1.202 0 50 CDAA Cn1ncc(NC(=O)Cn2ccc3c(F)cccc32)n1 48135100 PCDOKXQJGAVRQX-UHFFFAOYSA-N 273.271 1.548 0 50 CDAA CN(Cc1ccoc1)C(=O)NCC1CCN(CCO)CC1 426431050 KDTIGEKTRDSIQS-UHFFFAOYSA-N 295.383 1.125 0 50 CDAA Cn1nccc1-c1nn2cnnc2c2ccccc12 426658190 IENONFOPMPXLNI-UHFFFAOYSA-N 250.265 1.678 0 50 CDAA CN1CC2(CCN(C(=O)c3cn(C)nc3C3CC3)C2)C1 614035503 RJEJBIARPODCLI-UHFFFAOYSA-N 274.368 1.075 0 50 CDAA Cc1nnc(CNC(=O)C[C@H]2CCCCN2C)s1 426593547 CPFTUQWHFKPAOS-SNVBAGLBSA-N 268.386 1.337 0 50 CDAA COc1cccc(-c2cnn(CCC(N)=O)c2)c1F 96162502 XQKZUDQCEXPQPH-UHFFFAOYSA-N 263.272 1.573 0 50 CDAA Cc1cnn(CCCNC(=O)CC[C@H]2CCCCN2C)c1 95392502 WLHBUCRSVOXLQP-OAHLLOKOSA-N 292.427 1.962 0 50 CDAA C[C@H]1CN(C(=O)NCCCNc2cccnc2)C[C@@H](C)O1 426526879 NTJWEONMEFFJKN-BETUJISGSA-N 292.383 1.702 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CCN1 237621663 GVJDAUJOQUUOPJ-HONMWMINSA-N 262.328 1.750 0 50 CDAA CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 95630374 AKHBRSJRXLGZJK-ZJUUUORDSA-N 273.329 1.167 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2cnc3c(c2)CCC3)C[C@@H]1N 91651095 FOQFNKFXMMXGLQ-KGLIPLIRSA-N 273.380 1.626 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]12 239302590 FLJJAJJARNCUPA-YRORDHRNSA-N 299.282 1.218 0 50 CDAA COc1ccc(-n2ncnc2-c2ccc[nH]c2=O)cc1 91712981 BJNLPDSBKYBZMN-UHFFFAOYSA-N 268.276 1.631 0 50 CDAA CN(C)CCCNC(=O)[C@@H](c1cccc(F)c1)N(C)C 95367301 WCUZDENHYIRYNR-CQSZACIVSA-N 281.375 1.496 0 50 CDAA COCc1cc(CN(C)C(=O)[C@@H]2CCCCCN2C)n[nH]1 97393928 JYCXFHJOZPYPLB-AWEZNQCLSA-N 294.399 1.389 0 50 CDAA CC[C@H]1CCN1C(=O)c1cn(-c2cccc(OC)c2)nn1 295256149 GHPCIGSKESVDJM-NSHDSACASA-N 286.335 1.900 0 50 CDAA CC[C@@H](NC(=O)c1ccc(O)c(F)c1)[C@H]1C[C@H](O)C1 244763994 OZISKSDDBODWFQ-CKYFFXLPSA-N 267.300 1.811 0 50 CDAA CC(=O)c1cc(CN2CCN(CC(=O)O)CC2)cs1 244787665 QBEHPZVDDFCCDU-UHFFFAOYSA-N 282.365 1.153 0 50 CDAA Cc1nc(C)c(C(=O)N2CCOCC3(CCC3)C2)[nH]1 621953993 DXDQQVWLCWQKTG-UHFFFAOYSA-N 263.341 1.669 0 50 CDAA COc1cc(CNC(=O)N2CCC(CF)CC2)ccn1 296700975 ZCPYPWVTSRYQJI-UHFFFAOYSA-N 281.331 1.981 0 50 CDAA Cc1cc(C(=O)N[C@@]2(CO)CCOC2)c(Cl)cc1F 182884218 ALSUBDCHVPOLEP-CYBMUJFWSA-N 287.718 1.669 0 50 CDAA COC(=O)[C@H]1C2[C@H]3[C@H]4C([C@H]1C(=O)OC)[C@@H]1[C@H]2C3(C)C41C 253595379 CPWDDTDQGFHJFB-MKXDDTSKSA-N 276.332 1.343 0 50 CDAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@@]1(F)CCNC1 299739184 LQMIKYNNNXMUTA-DGCLKSJQSA-N 286.734 1.191 0 50 CDAA Cn1c2ccccc2c2cnn(CN3CCOCC3)c(=O)c21 253399701 DFNUDFKRKZZXFT-UHFFFAOYSA-N 298.346 1.178 0 50 CDAA CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]2O[C@@H]2C1 261513020 RJOKDPCWAVIFKW-WOFXILAISA-N 271.313 1.374 0 50 CDAA C[C@@H](c1cnccn1)N1CCC(CN2CCOCC2)CC1 184451234 HBKRBUUWSVTEST-AWEZNQCLSA-N 290.411 1.582 0 50 CDAA O=C1[C@H]2NN=C(C(F)(F)F)[C@H]2C(=O)N1Cc1ccccc1 263619722 FYHJTAMJTKXYFP-IUCAKERBSA-N 297.236 1.062 0 50 CDAA CCOCC(C)(C)NC(=O)N[C@@H](CO)c1ccccc1 534637096 IFGYKOHOMVFOAT-ZDUSSCGKSA-N 280.368 1.834 0 50 CDAA CC(=O)NCCCC(=O)NCc1nc2c(C)cccc2[nH]1 299764280 ZCAOCYGTTAKNHY-UHFFFAOYSA-N 288.351 1.404 0 50 CDAA N[C@H](CC(=O)NCc1ccccn1)c1ccc(F)cc1 299803847 HEWCNLMOBFXOCD-CQSZACIVSA-N 273.311 1.927 0 50 CDAA CC[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)O1 1875334443 OIONDFWTBIUAFL-ZNSALQAWSA-N 267.325 1.169 0 50 CDAA CC(=O)c1[nH]c(C)c(C(=O)NCCc2cn[nH]c2)c1C 828133749 ZQZIIOOSQITEHC-UHFFFAOYSA-N 274.324 1.530 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H](C)Cn1cncn1 820632057 WBNZRBADPNKZQL-SNVBAGLBSA-N 290.371 1.003 0 50 CDAA CNc1nc(N2CCN(CC3CC3)CC2)ncc1F 824091039 KONTYEROUMGYGG-UHFFFAOYSA-N 265.336 1.189 0 50 CDAA CCCc1cc(C(=O)NCc2cnc3cnccn23)n[nH]1 584887967 OGIXIMFPVFFIIH-UHFFFAOYSA-N 284.323 1.335 0 50 CDAA Cc1csc(CNC(=O)Cc2sc(=N)[nH]c2C)n1 584888856 KXSMKVLAAZYJPE-UHFFFAOYSA-N 282.394 1.488 0 50 CDAA c1cnc(-n2cncn2)c(CN[C@H]2CCSC2)c1 584894068 GDNKJZUPUDRGFO-NSHDSACASA-N 261.354 1.257 0 50 CDAA CSC[C@H](C)C(=O)NCc1nc(C(F)(F)F)no1 863947793 HMRURPTWGVNDGX-YFKPBYRVSA-N 283.275 1.704 0 50 CDAA COc1ccc2ncn([C@@H]3CC[C@@H](N)C3)c(=O)c2c1 670474366 JMHAKBIYKKBFGE-NXEZZACHSA-N 259.309 1.457 0 50 CDAA CCn1ccc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3)n1 670439930 UXJQHDMQZUOFSY-NEPJUHHUSA-N 262.357 1.004 0 50 CDAA CC(C)(CC(=O)N1CCOC[C@@H]1C(=O)O)c1ccccc1 268962536 AMJXRCOSDDQPOG-CYBMUJFWSA-N 291.347 1.666 0 50 CDAA CNC[C@@H](O)c1cccc(-c2ccc3nnn(C)c3c2)c1 863691997 OYVAVVOKYJYWCL-MRXNPFEDSA-N 282.347 1.888 0 50 CDAA CN1CCC(CNC(=O)[C@@H]2CC23CCC3)(N(C)C)CC1 670442322 LLCCVCIZYPKOHC-ZDUSSCGKSA-N 279.428 1.319 0 50 CDAA Cc1cccc(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)n1 1553497217 XSOOOKXTMCWSJR-AWEZNQCLSA-N 288.395 1.455 0 50 CDAA O=C(O)[C@H]1c2ccccc2OCCN1C(=O)CC1CC1 1550925085 FOCILZZFEATQDL-CQSZACIVSA-N 275.304 1.833 0 50 CDAA C[C@H](NC(=O)[C@@H]1CNCC12CCCCC2)C(C)(C)N 1875328542 XRAKTJNEOCAIDA-RYUDHWBXSA-N 267.417 1.398 0 50 CDAA C[C@H]1CN([C@H]2CCC(=O)N(CC3CC3)CC2)C[C@@H](C)O1 952987704 MQRXXCYVJOZVJF-GUTXKFCHSA-N 280.412 1.887 0 50 CDAA O=C1NCCC[C@H]1C(=O)N[C@H](c1ccncc1)C1CC1 890904317 LHBDEDWIWDAQCR-OLZOCXBDSA-N 273.336 1.175 0 50 CDAA CC(C)c1ccoc1C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1 888079276 QXOMICQCFGYSBE-YNEHKIRRSA-N 289.335 1.704 0 50 CDAA Cc1noc([C@H]2OCC[C@H]2CNCc2ccncc2F)n1 888078230 BKEYAZJTYIQNEZ-AAEUAGOBSA-N 292.314 1.780 0 50 CDAA Cc1nc2ccc(NC(=O)N3CC(OC(F)F)C3)cn2n1 1775986361 DRHVPHYUZIPDIA-UHFFFAOYSA-N 297.265 1.493 0 50 CDAA COC[C@@H](OC)C(=O)Nc1ccc2n[nH]cc2c1Cl 1775994046 QRNWOWHCRHTNSR-SNVBAGLBSA-N 283.715 1.816 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CCCN([C@H](C)C(=O)O)C2)nc1 269285360 IATVCTQYSNDDBT-NEPJUHHUSA-N 291.351 1.514 0 50 CDAA Cn1ccc2ccc(C(=O)N[C@H]3CC=CC[C@@H]3C(N)=O)cc21 1565516594 UCTAEHGPSCLSEQ-KBPBESRZSA-N 297.358 1.728 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)O)=NO2)C1 86003077 SKWDIOBLAPQHAF-CYBMUJFWSA-N 284.312 1.617 0 50 CDAA in-vitro CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)Cc2ccon2)CC1 408504219 XTUAOMTXFHNJGS-NSHDSACASA-N 298.364 1.757 0 50 CDAA CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCC12CCC2 170022478 ZXACDLHAYOQHQZ-QWRGUYRKSA-N 288.413 1.105 0 50 CDAA COC(C)(C)CC(=O)Nc1cnn(CC(F)F)c1 278429681 YYBJNKGRPCAFAL-UHFFFAOYSA-N 261.272 1.902 0 50 CDAA O=S(=O)(CCC(F)(F)F)N[C@@H](CO)c1ccccc1 170619832 TZHDKHCKGCFQGT-JTQLQIEISA-N 297.298 1.592 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(C(=O)N(C)C)cc2)CCCO1 170844656 IXIRPFAGPCBFPK-LBPRGKRZSA-N 290.363 1.639 0 50 CDAA Cc1cc(NC(=O)c2ccc3nccn3c2)ccc1C(N)=O 171477809 MFIHUWYICJEFOL-UHFFFAOYSA-N 294.314 1.994 0 50 CDAA COC[C@@H](C)N(C)CCC(=O)N1CCc2ccccc2C1 188968528 VYWBDUZBSDDXOJ-CQSZACIVSA-N 290.407 1.928 0 50 CDAA CC(C)c1[nH]ncc1C(=O)N1CC[C@@H](N2CCOCC2)C1 189443437 HTSHOTJJTGMAOZ-GFCCVEGCSA-N 292.383 1.080 0 50 CDAA CCc1c(C(=O)NCCc2cncn2C)ccn1C 555080204 RHPVKKIADYYNEG-UHFFFAOYSA-N 260.341 1.294 0 50 CDAA CC(C)CC[C@H](O)Cn1cc([C@H](N)[C@@H]2CCCO2)nn1 641230482 ZBIUUASPDMUPGY-UBHSHLNASA-N 282.388 1.254 0 50 CDAA CC(=O)N1C[C@H](N=c2[nH]nc(C)o2)CC[C@H]1C(F)(F)F 583616689 CROBHHABLYAIDC-BDAKNGLRSA-N 292.261 1.154 0 50 CDAA CCOC[C@H](C)NC[C@@H]1CCCN(C)[C@H]1c1cncn1C 583619174 LLJKFHHULAHONX-OFQRWUPVSA-N 294.443 1.818 0 50 CDAA O=C(CCc1ccccn1)N1CCNC[C@H]1c1ccncc1 584524631 ZGLQTQLWVUHHAZ-INIZCTEOSA-N 296.374 1.582 0 50 CDAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cncc(F)c1Cl 585122408 ZYGWAVWWIIHZJR-JTQLQIEISA-N 299.733 1.567 0 50 CDAA C[C@@H]1CC(=O)C[C@@H](C2CC2)N1C(=O)[C@H]1CCCO1 585124998 CQCBUBCTOLURNU-JIMOISOXSA-N 251.326 1.524 0 50 CDAA C[C@@H](CCc1ccccc1)NCCS(=O)(=O)N(C)C 65406384 WONVNSYNKCSCCJ-ZDUSSCGKSA-N 284.425 1.489 0 50 CDAA C[C@H](CCN)NC(=O)N1Cc2cc(F)c(F)cc2C1 655964833 FZWZULNDHWRLDC-MRVPVSSYSA-N 269.295 1.727 0 50 CDAA CC(=O)NCC(=O)Nc1c(C)cnn1C1CCCC1 1506399627 PENRSKRLSZZJGM-UHFFFAOYSA-N 264.329 1.381 0 50 CDAA CCN(Cc1cnn(CC)c1)C(=O)CCCc1cn[nH]c1 1506400375 DKIGJHQOSZDLCJ-UHFFFAOYSA-N 289.383 1.998 0 50 CDAA COC[C@@H]1CCN(c2ncnc3ccc(C)nc23)C1 1857673876 MMDARMPSHHXEPE-LLVKDONJSA-N 258.325 1.806 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2O)cc1 103484512 FSOQLWNEOZBJCP-UONOGXRCSA-N 283.393 1.919 0 50 CDAA O=C(O)[C@H]1CN(C2CCOCC2)C[C@@H]1c1ccccn1 213297057 NJAMSZAIAAFNCQ-STQMWFEESA-N 276.336 1.361 0 50 CDAA CC[C@@H](OC1CCCC1)C(=O)N1CC[C@H](C(=O)O)C1 237049962 SMAZUAMLIIGHBK-CMPLNLGQSA-N 269.341 1.657 0 50 CDAA O=S(=O)(CC1CCC1)N1CCC[C@@H]1[C@H]1CCCO1 334231476 LLYYYGQJGYGYMU-CHWSQXEVSA-N 273.398 1.760 0 50 CDAA CN(CC(F)(F)F)C(=O)N1CC[C@@H](c2nc[nH]n2)C1 332412327 OQFZCWMLMFRCDC-SSDOTTSWSA-N 277.250 1.208 0 50 CDAA CC(=O)N1CCC(NC(=O)N[C@@](C)(CN)CC(C)C)CC1 1875301061 BSSAPEVBNGTWGU-OAHLLOKOSA-N 298.431 1.060 0 50 CDAA CCc1ncc(C(=O)N2CCCC[C@H]2C(=O)O)s1 158485037 RWORITAZLZAPSP-QMMMGPOBSA-N 268.338 1.785 0 50 CDAA CCCOc1cncc(-c2cnn3c2C(=O)NCC3)c1 1616036743 WVPXAOALYSJNAX-UHFFFAOYSA-N 272.308 1.477 0 50 CDAA Cc1cc(C(=O)O)nc(N2CCCN(C(C)C)CC2)n1 1529111943 BZTHGMXZLSCHCV-UHFFFAOYSA-N 278.356 1.404 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccn1 250263570 ZFYQISUCLWVMQZ-RTXFEEFZSA-N 274.320 1.940 0 50 CDAA CCC(=O)N[C@H]1CC(=O)N(CCc2ccc(OC)cc2)C1 12463842 VLDBSZZIIOIVIE-ZDUSSCGKSA-N 290.363 1.365 0 50 CDAA COc1cc(C(=O)O)ccc1OCCN1CCCC1 11822426 AWIZXNZWBIVRDE-UHFFFAOYSA-N 265.309 1.868 0 50 CDAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1ccc(F)c(F)c1 13957705 FEDHEIMYWLVVRS-GFCCVEGCSA-N 298.289 1.541 0 50 CDAA CSc1ccccc1-n1c(N)cc(=O)nc1S 16647508 ARBMEVMXZHUCPU-UHFFFAOYSA-N 265.363 1.825 0 50 CDAA CC(C)CC(=O)N1CCC(N2CCOCC2)CC1 19888801 UXVAGNTVHAOFQP-UHFFFAOYSA-N 254.374 1.356 0 50 CDAA COc1cccc(C2(C(=O)N[C@H](C)c3nc[nH]n3)CC2)c1 353722263 RUYHWEKISJYKQS-SNVBAGLBSA-N 286.335 1.722 0 50 CDAA O=C(N[C@@H](C[C@@H]1CCOC1)C(=O)O)c1ccccc1 521396188 RGIDQJAVQZOCRJ-JQWIXIFHSA-N 263.293 1.296 0 50 CDAA Cc1noc([C@H]2CN([C@@H](CC(C)C)C(=O)O)CCN2C)n1 629487943 FCILCNLURJRAPC-NWDGAFQWSA-N 296.371 1.166 0 50 CDAA CN1CCN(C(=O)C2=CCCC2)C[C@H]1c1nccn1C 328619686 GCHMABHNLVLBMP-ZDUSSCGKSA-N 274.368 1.346 0 50 CDAA Cc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 7917303 JTPGATCDSPTIHW-UHFFFAOYSA-N 260.293 1.473 0 50 CDAA COc1ccccc1OCCN(C)C(=O)[C@]1(C)CCNC1 237145778 CNIDTNGJEQKOEG-MRXNPFEDSA-N 292.379 1.532 0 50 CDAA CNCCNC(=O)COc1ccc(Cl)c2cccnc12 237394836 QIPQVQYGFKGQOW-UHFFFAOYSA-N 293.754 1.603 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 237956357 ULZKRWFMWYFFLC-JTQLQIEISA-N 283.274 1.831 0 50 CDAA O=C(O)c1cc(C(=O)N(C[C@H]2CCOC2)C2CC2)ccn1 238158240 SOEDEHSUMKWEBW-SNVBAGLBSA-N 290.319 1.421 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCCNC2=O)C12CCC2 241144914 JUBDEQWJWMADHY-LALPHHSUSA-N 294.395 1.367 0 50 CDAA Cc1nc2ccc(C(=O)Nc3ncn(C)n3)cc2nc1C 554456954 DCAURXQZRADYQK-UHFFFAOYSA-N 282.307 1.627 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc(C)nc1C1CC1 1875272931 JLXIKZKZXCISRP-ONEGZZNKSA-N 274.320 1.726 0 50 CDAA CNc1nc(C)cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1 253393938 XPYWPXIDPZNNNB-QWHCGFSZSA-N 290.367 1.610 0 50 CDAA O=C(NCC1CC1)[C@@H]1CCCN(C(=O)CCF)C1 585121260 KJZSUBXTPVPYGM-LLVKDONJSA-N 256.321 1.111 0 50 CDAA Cc1nc2c([nH]1)CC[C@H](C(=O)N(C)Cc1cscn1)C2 162554409 KHMSCBQKNVNYIF-JTQLQIEISA-N 290.392 1.938 0 50 CDAA Cc1cncc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 266272215 CDRPXCMUWNKFPS-JHJVBQTASA-N 260.337 1.933 0 50 CDAA C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCSC2)cc1 266502205 SMBVOMSYNQOIHU-CYBMUJFWSA-N 290.388 1.724 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)on1 1646600203 OINOAWRFWKJASZ-NWDGAFQWSA-N 299.330 1.404 0 50 CDAA CNc1cc(-c2noc([C@@H](O)C3CCC3)n2)ncn1 904246510 QJRXQHYYQKZSRJ-JTQLQIEISA-N 261.285 1.402 0 50 CDAA CCC1(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)CC1 910617380 MNSQMAGTBFTHDV-LOIXOFCESA-N 281.352 1.705 0 50 CDAA COc1nccc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)n1 935671950 OSUHTGJRTBFPRE-GFCCVEGCSA-N 299.330 1.478 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(=N)[nH][nH]2)C1 1857777600 RGUFGDWXHOOTQD-MRVPVSSYSA-N 267.333 1.332 0 50 CDAA C[S@@](=O)CCN1CCO[C@@H](c2ccccc2)C1 252492230 MGEBXJBXGXTXOD-CXAGYDPISA-N 253.367 1.438 0 50 CDAA CCO[C@H]1C[C@@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 270539496 PNVKMPSFKQTADI-XDQVBPFNSA-N 261.321 1.186 0 50 CDAA O=C(NCC1CNC1)c1cc(-c2ccccc2)on1 262021992 MOOTWBFMQLYKAO-UHFFFAOYSA-N 257.293 1.291 0 50 CDAA C[C@@H](C(=O)O)N1CCO[C@H](c2cccc(F)c2)C1 265220008 GMTSRWHCMMKAPX-CABZTGNLSA-N 253.273 1.672 0 50 CDAA CC(C)C[C@@H](CO)Nc1cc(N2CCCC2)ncn1 664322947 FSRFGOQAWDRWRL-LBPRGKRZSA-N 264.373 1.896 0 50 CDAA Cc1cccnc1CN1CCC(N2CCCC2=O)CC1 71613978 QHQUGUVEMQPKDI-UHFFFAOYSA-N 273.380 1.977 0 50 CDAA CCSCCC(=O)N1CCC(c2nc[nH]n2)CC1 82980512 KYGCHHGLKUWROD-UHFFFAOYSA-N 268.386 1.654 0 50 CDAA COc1ccccc1OCC(=O)N[C@@H](CSC)C(=O)O 426436557 MNKODSFTLKQMHJ-VIFPVBQESA-N 299.348 1.006 0 50 CDAA O=C(O)CCCNC(=O)CN1CCCCCCC1 426515796 VKAZTDKTUWPXCP-UHFFFAOYSA-N 256.346 1.234 0 50 CDAA CN(CCC(=O)O)Cc1ccc2c(c1)OC(F)(F)O2 575068890 GRFDYFOJMPSFJB-UHFFFAOYSA-N 273.235 1.915 0 50 CDAA Cc1cccc(C(=O)NCCCN2CCOCC2)c1 20407983 SJSIBMXUJPWQCX-UHFFFAOYSA-N 262.353 1.447 0 50 CDAA O=C(C[C@@H]1C[C@H]2C[C@H]2C1)Nc1n[nH]c2c1COCC2 2325781061 HPURSPGEBJMSKG-ILWJIGKKSA-N 261.325 1.857 0 50 CDAA Cc1cnc(Cl)cc1NC(=O)N=c1ccn(C)[nH]1 2325840502 CQLBBPZDZZRBHM-UHFFFAOYSA-N 265.704 1.843 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c(OC)c1 41497 JZPXSMURKIJDAG-GFCCVEGCSA-N 292.291 1.202 0 50 CDAA COc1ccc(CC(=O)Nc2ccccc2C(N)=O)cc1 341773 NVWITKFEMBLLIM-UHFFFAOYSA-N 284.315 1.975 0 50 CDAA COc1ccc(S(=O)(=O)n2ccnc2)cc1C 380263 PSZVWAMNMIHRIV-UHFFFAOYSA-N 252.295 1.437 0 50 CDAA Cn1c(SCCC(=O)O)nnc1-c1ccncc1 808121 IEPTYDFAOLPKKJ-UHFFFAOYSA-N 264.310 1.444 0 50 CDAA N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 2561081 TVIDEEHSOPHZBR-CQSZACIVSA-N 269.300 1.872 0 50 CDAA in-vitro Cc1nnc(CN2CCC[C@]23CCCN(C2CC2)C3=O)o1 2356155889 MXMHPNGNUXCFTK-OAHLLOKOSA-N 290.367 1.497 0 50 CDAA C[C@H](c1nnc2n1CCCCC2)N1CCOCC1 2356166630 GKXGAYFURIXGPH-LLVKDONJSA-N 250.346 1.398 0 50 CDAA CN1CCO[C@@]2(CCN(C(=O)c3ccc4ccccn34)C2)C1 2356168818 OVQGLQZHXMQQOS-KRWDZBQOSA-N 299.374 1.486 0 50 CDAA CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1 4128392 VEMGKBUHUTYHHA-UHFFFAOYSA-N 254.267 1.046 0 50 CDAA CCOC(=O)c1c(C)nsc1NC(=O)[C@@H]1CCCO1 6730873 XNTMNUVCCGDGOW-QMMMGPOBSA-N 284.337 1.746 0 50 CDAA CCCN1C(=O)[C@@H](NC(C)=O)c2cc(OC)ccc21 100448876 CQZJKQCWRAQAGA-ZDUSSCGKSA-N 262.309 1.629 0 50 CDAA CN(CCn1cccn1)C(=O)N[C@@H](CN)C1CCCC1 418585450 DEWGAGJYVQRMNT-ZDUSSCGKSA-N 279.388 1.042 0 50 CDAA COCCCNC(=O)CN1[C@H](C)C[C@H]2CCCC[C@H]21 247474399 JOAGZIFPDGPINK-MGPQQGTHSA-N 268.401 1.792 0 50 CDAA CCOC(=O)[C@H](Br)C(=O)c1ccncc1 117412536 LKHSXKMANQMRCS-MRVPVSSYSA-N 272.098 1.591 0 50 CDAA CCN1CCN(Cc2ccccc2F)CCC1=O 64024017 USLNNRYVOQPCQB-UHFFFAOYSA-N 250.317 1.880 0 50 CDAA CN(CCN1CCC(O)CC1)Cc1ccc(F)cc1 20777114 CCQYCWUBIRWMCO-UHFFFAOYSA-N 266.360 1.714 0 50 CDAA C[C@H]1CN(C(=O)CO[C@H]2CCC[C@@H](C)C2)C[C@@H]1N(C)C 229916892 FSLIQTBXLQIBFL-QPSCCSFWSA-N 282.428 1.990 0 50 CDAA CCOC(=O)[C@@H](C)N1CCC[C@H]1CC(=O)c1cnn(C)c1 252517477 JOEJEAVXPYKDIJ-YPMHNXCESA-N 293.367 1.409 0 50 CDAA O=C(CCc1ccccn1)N[C@H]1CCc2[nH]ncc2C1 172212728 QXAIUEIGAJXGMU-ZDUSSCGKSA-N 270.336 1.411 0 50 CDAA C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c(=O)n(C)c2)O1 129084733 ZJGFMEGUCAZGOB-GMSGAONNSA-N 270.716 1.545 0 50 CDAA CC[C@H](NC(=O)c1cc(C2CC2)no1)[C@H](O)C(F)(F)F 281987427 PGTHELCZRMTZDW-XVKPBYJWSA-N 292.257 1.984 0 50 CDAA CSc1ncc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)cn1 219383563 LBMOYCZYRTUQMP-LURJTMIESA-N 278.341 1.116 0 50 CDAA CC[C@H]1COCCN1C(=O)CN(C)Cc1cccnc1 77542450 CMTYOCTYHRKSSQ-AWEZNQCLSA-N 277.368 1.151 0 50 CDAA C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H](c2ccsc2)O1 329593077 ZOANOZNAMOSWJE-CABZTGNLSA-N 292.364 1.479 0 50 CDAA Cc1ccn(-c2ccc(=N[C@@H]3CCN4CCC[C@@H]4C3)[nH]n2)n1 361831035 RWOLHVQLSXKSNA-ZIAGYGMSSA-N 298.394 1.431 0 50 CDAA CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)CCc2cnc[nH]2)C1 330749190 HGRWJYOFQZMJSA-RZZGRXHGSA-N 297.424 1.538 0 50 CDAA CN1CC[C@H]2CN(c3nccnc3N3CCCC3)C[C@H]21 77439504 RSMQLTFIQBZCOE-QWHCGFSZSA-N 273.384 1.217 0 50 CDAA COCC(=O)NCCc1c(C)[nH]c2ccc(O)cc12 68267111 YBXBWBBVLXZQBJ-UHFFFAOYSA-N 262.309 1.487 0 50 CDAA in-vitro CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(CN)cc1 156058295 OUVCYBBURJKVQD-MNOVXSKESA-N 277.368 1.178 0 50 CDAA CCO[C@@H](CC)C(=O)N1CCC[C@H](CCC(=O)O)C1 237041693 MROOKPXDPDQQRV-NEPJUHHUSA-N 271.357 1.905 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccsc1 128195470 RUETXVUQEMHSIJ-SECBINFHSA-N 255.295 1.064 0 50 CDAA O=C(c1ccccc1-n1ccnn1)N1CC[C@](O)(C2CC2)C1 373359392 NZOYVJWSSLTAOS-MRXNPFEDSA-N 298.346 1.254 0 50 CDAA COc1ccc([C@H](NC(=O)[C@H]2CCCOC2)C(=O)O)cc1 263125460 FKXPNZDPPMQKQT-AAEUAGOBSA-N 293.319 1.364 0 50 CDAA Cc1ccc(-c2noc(CCc3n[nH]c(C)c3C)n2)nn1 82121774 BMSLMIODVIFMLE-UHFFFAOYSA-N 284.323 1.960 0 50 CDAA CN1C[C@@H]2[C@@H](CCCN2C(=O)c2ccncc2Cl)C1=O 285866407 HTRXYQHDYZMMGU-ZYHUDNBSSA-N 293.754 1.428 0 50 CDAA COC[C@@H]1[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H]2CCO[C@@H]21 223885567 CADQNAJXYJRUMG-XGUBFFRZSA-N 290.363 1.478 0 50 CDAA CCOc1ccc(C)cc1S(=O)(=O)N[C@@H](CC)CO 41096346 JUZFYJKTHXTTHX-NSHDSACASA-N 287.381 1.443 0 50 CDAA Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)N(C)C3)ccn1C 426406085 KDAOIJHCAKFUQR-KBPBESRZSA-N 275.396 1.890 0 50 CDAA COc1ccc2nc(N3CCN(C)CC3)c(C)nc2c1 292643678 BVBOWYJIGPUWAB-UHFFFAOYSA-N 272.352 1.699 0 50 CDAA CCn1nccc1C(=O)NC[C@@H]1COc2ccccc2C1 95506145 KRIGRPNBDBIBMU-GFCCVEGCSA-N 285.347 1.884 0 50 CDAA Cc1cccc([C@H](C(=O)N(C)CC2(CO)CC2)N(C)C)c1 91625203 ODCVTEQZDYLIES-OAHLLOKOSA-N 290.407 1.829 0 50 CDAA CC(C)(c1nc([C@H]2CCOC2)no1)N1CCCC1 96162814 LYLGFAGSZNMVMM-JTQLQIEISA-N 251.330 1.904 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CC(N3CCCC[C@@H]3C)C2)[nH]1 426398036 JNAOQIBDMAMRJP-LBPRGKRZSA-N 289.379 1.382 0 50 CDAA O=C1CCOCCN1Cc1cc(F)c(F)c(F)c1 95504500 VTEFYNKKLFETOD-UHFFFAOYSA-N 259.227 1.853 0 50 CDAA O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cnns1 293596325 IXPFIONPUWWGEF-ZETCQYMHSA-N 294.302 1.295 0 50 CDAA O=C(c1ccc(-n2ccnc2)cc1)N1CCCC[C@H]1CO 97711579 YSFNXHXOTHIPTL-HNNXBMFYSA-N 285.347 1.859 0 50 CDAA CCc1ncc(C(=O)NCCc2cccnc2)cn1 95362369 RULZIFGTIMWVJB-UHFFFAOYSA-N 256.309 1.407 0 50 CDAA CCN(C)C[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@@H]1CO 91860027 VNGAYPLRKGMGKA-HUUCEWRRSA-N 291.395 1.022 0 50 CDAA CSCCC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccnc2)C1 91391417 ROUWQRJTJCRVMF-NWDGAFQWSA-N 294.376 1.461 0 50 CDAA CN(C)[C@@H](C(=O)NCC(C)(C)CO)c1ccc(F)cc1 95353080 JQCMIBTUWYVWCX-CYBMUJFWSA-N 282.359 1.563 0 50 CDAA COC(=O)[C@@H]1[C@@H]2C3C4[C@@H]5CC[C@@H]4[C@H]([C@H]52)[C@H]3[C@H]1C(=O)OC 247844307 PDIHXXLOKWQAAY-CKJWSSGCSA-N 276.332 1.343 0 50 CDAA CO[C@H](C)c1nsc(NCCc2csc(=O)[nH]2)n1 252482438 DFIQQULSBPDLIQ-ZCFIWIBFSA-N 286.382 1.650 0 50 CDAA C/C=C/CC(=O)N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1 252538926 NJJZJBUMDUBCHY-FZZSVPTGSA-N 266.385 1.208 0 50 CDAA C[C@]1(C(=O)O)[C@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]31)O2 257372299 SHILXQQNBXOABD-MPTQWLOMSA-N 285.299 1.448 0 50 CDAA CC(C)CC1(NC(=O)N(C)Cc2ncon2)CC1 534651204 CHCJTICHVAHFLT-UHFFFAOYSA-N 252.318 1.790 0 50 CDAA COc1ccc(NC(=O)NCC[C@@H]2CCCN2)c(OC)c1 299796933 PDEYXXYHFKARDQ-NSHDSACASA-N 293.367 1.967 0 50 CDAA O=C(Nc1cncc(F)c1)N1CC[C@H]2CNC[C@H]21 299802547 ZFSNKYKSYNHYKD-GZMMTYOYSA-N 250.277 1.046 0 50 CDAA CCCc1nc(CNC(=O)CN2CCC[C@@H](O)C2)cs1 299772778 BUWMDRYMBUUTGH-GFCCVEGCSA-N 297.424 1.169 0 50 CDAA COC(=O)c1ccc([C@@H]2C=NN(C(C)C)C2=O)cc1 575442434 NUBBMXGVHXYCHC-LBPRGKRZSA-N 260.293 1.793 0 50 CDAA O=C1CN([C@@H]2CCSC2)CCN1c1ccccc1 670468534 HFBLYRYQWYAFSL-CYBMUJFWSA-N 262.378 1.841 0 50 CDAA CN1CC[C@](C)(Cn2cnc3ccc(F)cc3c2=O)C1 584902261 HNGRHIPAPUTGJR-HNNXBMFYSA-N 275.327 1.877 0 50 CDAA CCCc1cc(CNS(=O)(=O)c2cnn(C)c2C)on1 670460940 TXHRJYZQWGLKGO-UHFFFAOYSA-N 298.368 1.148 0 50 CDAA CNC1(C(=O)NC[C@@H](O)c2ccc(F)cc2)CCC1 864092663 SEPMHTHSCATZBM-GFCCVEGCSA-N 266.316 1.117 0 50 CDAA CC[C@H](COC)NC(=O)NCc1cc(C(F)(F)F)on1 864094536 XCASHFDFLSELCC-SSDOTTSWSA-N 295.261 1.918 0 50 CDAA CC(C)CCC(=O)N[C@@H]1C[C@H](C(=O)O)C[C@@H]1n1ccnn1 685940346 FSHKZUCIRGMCBI-TUAOUCFPSA-N 294.355 1.235 0 50 CDAA Cc1ccccc1CN(C)C(=O)[C@@H]1NCc2ncncc21 1553368450 JAXVZEWWQJUBCK-OAHLLOKOSA-N 282.347 1.588 0 50 CDAA CCCN(CCC)C(=O)CN1C=NC2=N[C@@H](C)CCN21 952882740 JAWJUGMHJXVKSA-LBPRGKRZSA-N 279.388 1.344 0 50 CDAA Cc1cnn(C)c1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952849258 UVJSVRXMJPVQNJ-NWDGAFQWSA-N 289.339 1.182 0 50 CDAA Cc1occc1CNC(=O)N1C[C@@H]2[C@@H]3COC[C@H]3[C@H]2C1 1875268533 SYTQRTHIGNFVLH-XUXIUFHCSA-N 276.336 1.622 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@@H]1CCc2cc(F)ccc2O1 1875376893 MGAXKRNBUBKODH-XGACYXMMSA-N 292.354 1.753 0 50 CDAA C/C=C/C[C@@H](CO)NC(=O)c1c[nH]nc1C1CCOCC1 886088033 IMMALAPVYBQNCV-JDGPPOGSSA-N 293.367 1.361 0 50 CDAA NC(=O)C[C@@]1(O)CCCN(CC2=CCCCC2)C1 888076903 WXTLDUGTYPTXTF-AWEZNQCLSA-N 252.358 1.189 0 50 CDAA CCC(=O)N[C@H]1CCN(c2nc(O)cc(C(C)C)n2)C1 888231640 SHJPNROCUCTIAQ-JTQLQIEISA-N 278.356 1.411 0 50 CDAA Cc1ocnc1C(=O)N1CCC(c2ncon2)CC1 1178358764 MPYLMOUDOPHJQI-UHFFFAOYSA-N 262.269 1.386 0 50 CDAA O=C(NCc1ccccc1CO)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 305127665 IXLPSADCLYEHMJ-RCBQFDQVSA-N 288.391 1.716 0 50 CDAA C[C@H](Cc1ccsc1)NC(=O)Cn1cc(C(=O)O)cn1 630112074 XFOPIAWLKKAEBH-SECBINFHSA-N 293.348 1.390 0 50 CDAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CCCc2n[nH]cc21 585120112 RPOFODFAEJOAEM-UHFFFAOYSA-N 284.323 1.484 0 50 CDAA O=C(Cc1ccc(Cl)cc1)N1CC[C@@H](n2ccnn2)C1 585130022 FQFUISRRIHUDFY-CYBMUJFWSA-N 290.754 1.948 0 50 CDAA CCCOc1ccc(CNC(=O)Nc2ncccn2)cn1 585119525 JRGAGTBRACOQEL-UHFFFAOYSA-N 287.323 1.982 0 50 CDAA O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)[C@@H]1CCOC1 630327781 VGURTPUTECBFEW-KGYLQXTDSA-N 275.304 1.850 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)N(C[C@@H]2CCCN2)C2CC2)C1 186496088 UESOBKZPHSOEKD-XQQFMLRXSA-N 265.401 1.247 0 50 CDAA Cc1cc(Br)cc(C(=O)N(C)[C@H](C)C(N)=O)c1 170597150 LCMRFXPBVRNYRO-MRVPVSSYSA-N 299.168 1.703 0 50 CDAA CCc1nc(CC(=O)O[C@@H]2CCN(CCF)C2)cs1 170617268 DMSGASLNCYUMGF-LLVKDONJSA-N 286.372 1.835 0 50 CDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)[C@@H]1CCCOC1 279417885 SUEDBHRUCIBTSG-NWDGAFQWSA-N 293.367 1.679 0 50 CDAA Cc1nc(O)c2c(n1)CN(C(=O)[C@@H]1C[C@H](C)O[C@@H]1C)C2 636289424 VFIAZBJQUHAFAL-QXFUBDJGSA-N 277.324 1.146 0 50 CDAA Cc1nc(C)n(C2CN(C(=O)CCc3ccc(C)o3)C2)n1 646095761 ITOBYMVWHSQUGO-UHFFFAOYSA-N 288.351 1.812 0 50 CDAA CCn1nncc1C(=O)N[C@@H](C(C)C)C1(CO)CCCC1 565205364 BUPIAHDEWJKYKQ-ZDUSSCGKSA-N 294.399 1.605 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cccnc1C 195530873 DVMUHHCHDRSBLH-VTPLQMEGSA-N 288.347 1.708 0 50 CDAA Cc1cccc([C@H](NS(=O)(=O)C2(C)CC2)C(=O)O)c1C 570839341 JVDBHOOUCZVHHE-LBPRGKRZSA-N 297.376 1.901 0 50 CDAA CN(CC(=O)NCC1(c2ccccc2)CC1)Cc1ncc[nH]1 660143390 AYYKUKVVJTWJKP-UHFFFAOYSA-N 298.390 1.690 0 50 CDAA CSC[C@@H](C)NC(=O)NC[C@H]1CCn2ccnc2C1 583623994 LPOBQUPXDVFCMM-MNOVXSKESA-N 282.413 1.496 0 50 CDAA C=CC(=O)NCCC(=O)N1CCC[C@H]1c1cc(C)on1 773268488 FPPQKKDXCPWGND-LBPRGKRZSA-N 277.324 1.339 0 50 CDAA COC[C@@H]1CN(C(=O)c2ncncc2Cl)CC(C)(C)O1 343738721 PPXOREQUWFPPMD-VIFPVBQESA-N 299.758 1.396 0 50 CDAA Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1NCC12CCCC2 1615548181 QZAJPJYJLCDWSI-AWEZNQCLSA-N 288.395 1.446 0 50 CDAA CN(C)Cc1cc(CN2CC[C@H](O)C23CCCC3)no1 1615052054 WWGCRFDMWRDCJI-AWEZNQCLSA-N 279.384 1.616 0 50 CDAA O=C(c1cccs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1054383 HHVUVBZOZXNSCX-NSHDSACASA-N 294.376 1.212 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1cc(C2CC2)[nH]n1 1772814221 OIVJGSWDZDJUIK-UHFFFAOYSA-N 282.307 1.488 0 50 CDAA CC(C)Cc1nc(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)no1 1772708698 APTFXXOXBAXYPD-RYUDHWBXSA-N 292.383 1.463 0 50 CDAA COc1ccccc1OC/C=C/CN1CCOCC1 16622700 JQUQLSZXVKQHRW-SNAWJCMRSA-N 263.337 1.962 0 50 CDAA OCCN1CCN(Cc2ccc(Br)cc2)CC1 19607248 ZEYMJAPCVCOFKR-UHFFFAOYSA-N 299.212 1.559 0 50 CDAA CCCCCCOC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O 2592947 ZNIFPPRBKFUVRN-BQYQJAHWSA-N 280.324 1.508 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3ccon3)n[nH]c21 1857529306 MNZYHSYAALPJRK-BDAKNGLRSA-N 290.323 1.692 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccc3cc[nH]c3c1)C2 1875250003 QKSWTCMROSCTPL-ZBFHGGJFSA-N 285.391 1.930 0 50 CDAA C[C@@]1(C(=O)Nc2cc3cc[nH]c3cn2)CCC(=O)NC1 606444815 FHMUVUPYDAOTSB-CQSZACIVSA-N 272.308 1.418 0 50 CDAA CO[C@H](C)CNC(=O)NCc1ccc(-n2cncn2)cc1 225509582 ROJKBONZLYUILG-LLVKDONJSA-N 289.339 1.101 0 50 CDAA Cn1nccc1CCN1CCc2ccc(C(=O)O)cc2C1 230772872 JSXVUWRIFRNNRF-UHFFFAOYSA-N 285.347 1.719 0 50 CDAA CC(C)(C)[C@H](O)C[C@@H](CO)NCc1cnn2ccccc12 241301041 LPXKIEWONAQRQE-DZGCQCFKSA-N 291.395 1.582 0 50 CDAA CN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 13791370 LWFVCCRWLUOSCL-LBPRGKRZSA-N 296.392 1.321 0 50 CDAA COc1ccnc(N2CCN(c3cnccn3)CC2)c1 264149041 RVFLCQDNQWOESU-UHFFFAOYSA-N 271.324 1.207 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNCc1ccc(CO)o1 267277440 OAROOPZIEJOEIL-BXUZGUMPSA-N 253.342 1.923 0 50 CDAA Cc1csc(C[C@@H]2CCN(c3nnnn3C)C2)n1 929057473 HNBAISNYAMJEBO-VIFPVBQESA-N 264.358 1.044 0 50 CDAA C[C@@H](c1ccco1)N(C)C(=O)Cc1nnc(N)s1 1123495042 QUYGIKZDYJZZGX-ZETCQYMHSA-N 266.326 1.475 0 50 CDAA CCN1CCC[C@H]1CNc1nnc(-c2cnn(C)c2)o1 849159883 QPTFZLIKKZRDNN-NSHDSACASA-N 276.344 1.366 0 50 CDAA COc1cc(C)nc(NCc2cnn3c2CCCC3)n1 1775280928 IUAKJWHXYQWOKN-UHFFFAOYSA-N 273.340 1.939 0 50 CDAA C[C@@H](Cc1ccncc1)NC(=O)c1ccncc1O 219076660 GGIYAGBSGRQGRF-JTQLQIEISA-N 257.293 1.543 0 50 CDAA Cn1cc(Cl)c(C(=O)NCC(=O)c2ccccc2)n1 468236 CUJBDMOLECMFKQ-UHFFFAOYSA-N 277.711 1.686 0 50 CDAA CN(C)C(=O)CN(C)C1CCN(Cc2ccccc2)CC1 114481193 DPMUQNQSOULFDX-UHFFFAOYSA-N 289.423 1.671 0 50 CDAA CN(C)S(=O)(=O)CCCN1CCC[C@@H]1c1ccco1 116287540 URENUZGVRGXZFI-GFCCVEGCSA-N 286.397 1.698 0 50 CDAA CCOc1cc(CNC)ccc1O[C@@H](C)C(=O)NC 4851148 LGRDJVAIQHXGGF-JTQLQIEISA-N 266.341 1.318 0 50 CDAA CCN([C@@H](C)C(=O)O)S(=O)(=O)c1ccc(C)cc1 5672258 YYBAEXILLYPUQV-JTQLQIEISA-N 271.338 1.479 0 50 CDAA C[C@H](O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 154835122 JFXURQXWEAXIPS-BBRMVZONSA-N 276.380 1.538 0 50 CDAA CCOC[C@@H]1CN(Cc2csc(C(=O)O)c2)CCO1 530173628 XLYCEJMSTNTCQB-NSHDSACASA-N 285.365 1.684 0 50 CDAA O=S(=O)(N[C@@H]1CC12CCNCC2)c1cccc(F)c1 367834269 VGZNLFCRANXOEV-GFCCVEGCSA-N 284.356 1.246 0 50 CDAA CC1(C)NCC[C@@H]1NC(=O)c1cccc(C(=O)O)c1 583696827 KBJUFHHMQNTQJP-NSHDSACASA-N 262.309 1.255 0 50 CDAA CC1(S(=O)(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 721072164 IYAFJTSFNLEGET-ZDUSSCGKSA-N 280.393 1.173 0 50 CDAA CC1(C)CC(N2CCC(=O)NC2=S)CC(C)(C)N1 53123 LENXQJQKQUFHOY-UHFFFAOYSA-N 269.414 1.402 0 50 CDAA COc1ccc(CC(=O)N2CCC[C@@H]3C[C@@]32C(N)=O)cc1 2325781159 QRMSKQIDVSUOQS-WBMJQRKESA-N 288.347 1.104 0 50 CDAA CSc1n[nH]c(=NC(=O)N(C)[C@@H]2[C@H]3CCC[C@H]32)s1 2325782061 TYUXKPUSBMGRDO-JIGDXULJSA-N 284.410 1.944 0 50 CDAA CO[C@@H]1CCn2cc(C(=O)NCCc3ccoc3)nc2C1 869264539 NQSPWRTWBMXSJH-GFCCVEGCSA-N 289.335 1.410 0 50 CDAA COc1ccc(OC)c(NC(=O)CCC(=O)O)c1 72387 XQQBLMMDNXWGEB-UHFFFAOYSA-N 253.254 1.507 0 50 CDAA CC1(C)N=C(N)N=C(N)N1c1ccccc1Br 183513 KUOQECBJRJUUOV-UHFFFAOYSA-N 296.172 1.635 0 50 CDAA CC(C)Oc1ccc([C@H](CC(N)=O)CC(=O)O)cc1 330247 NQGDMWWMAHGTGZ-LLVKDONJSA-N 265.309 1.908 0 50 CDAA CN1C(=O)[C@](O)([C@H]2COC(C)(C)CC2=O)c2ccccc21 341032 LUUDDMFQLMETMI-MEDUHNTESA-N 289.331 1.235 0 50 CDAA biogenic C[C@@H]1CCc2c(C(=O)NN3CCOCC3)csc2C1 1052126 JHZQGADEVYAIEM-SNVBAGLBSA-N 280.393 1.850 0 50 CDAA Cc1cc(NC(=O)c2nn3cccnc3c2Cl)no1 1068135 ODSJDGAPXJATKT-UHFFFAOYSA-N 277.671 1.931 0 50 CDAA NS(=O)(=O)c1cccc(C(=O)c2ccccc2)c1 3844750 PBSKXQQQZMKQSK-UHFFFAOYSA-N 261.302 1.565 0 50 CDAA COc1cccc(C2=NO[C@H](C(=O)N3CCOCC3)C2)c1 4111033 BIYQIRBZPDLSDZ-AWEZNQCLSA-N 290.319 1.047 0 50 CDAA O=C(Nc1ccc(F)cc1)N[C@@H]1CCS(=O)(=O)C1 4454867 PQJHIZXGQVJTCN-SNVBAGLBSA-N 272.301 1.134 0 50 CDAA O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(O)cc1 6550434 WJJCTTAYVMYDFC-UHFFFAOYSA-N 295.298 1.741 0 50 CDAA CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCCC2)cc1 6697094 OKTWLIQYCHYGIT-UHFFFAOYSA-N 296.392 1.709 0 50 CDAA c1ccc([C@H](NCCOc2cccnc2)c2ncc[nH]2)nc1 225575070 NGFGOTFXUYLZFZ-HNNXBMFYSA-N 295.346 1.958 0 50 CDAA COc1ccccc1CNCC1(O)CCOCC1 112717056 WIVNGDFWLMATRC-UHFFFAOYSA-N 251.326 1.326 0 50 CDAA C[C@H](c1ccccc1)N(C)[C@@H]1CS(=O)(=O)[C@@H]1C 101036277 CZIHGSQIHZLMGD-NQBHXWOUSA-N 253.367 1.865 0 50 CDAA O=C(NCc1ccoc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 53039927 WIFBYEFCQXLWFP-ZDUSSCGKSA-N 299.330 1.340 0 50 CDAA Cc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C 23114590 GCZXKGFOXFJBLN-UHFFFAOYSA-N 258.369 1.629 0 50 CDAA Cc1nsc(NC(=O)N2CCC[C@H](CO)C2)n1 55166482 NRCFIOBQDBDYNT-QMMMGPOBSA-N 256.331 1.083 0 50 CDAA COC(=O)[C@H](N[C@@H](C)CCc1ccccc1F)[C@H](C)O 248892940 BETXALPWKNZPRB-COPLHBTASA-N 283.343 1.659 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1Cc1ccccc1 115451997 HPAYEMRCHCWDMA-NDBYEHHHSA-N 255.273 1.125 0 50 CDAA CCC[C@@H](C(=O)OCC)n1ncc(N2CCCC2)cc1=O 23250459 HYFUAMAPFHDBCL-ZDUSSCGKSA-N 293.367 1.748 0 50 CDAA N=C1NC(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)S1 19879716 CIAJDLYMNUSWIM-FPLPWBNLSA-N 279.708 1.801 0 50 CDAA COC(=O)C[C@@H]1C=C(O)n2c(nc3ccccc32)N1 66324436 UTVAIJQVNSREMC-QMMMGPOBSA-N 259.265 1.750 0 50 CDAA CCc1nc(CNS(=O)(=O)N2CCCC2)cs1 408099432 LFLNKTADERXVNM-UHFFFAOYSA-N 275.399 1.136 0 50 CDAA CC(C)(C)NC(=O)NC(=O)CN1CCO[C@@H]2CCCC[C@H]21 230070929 KWGUVHYWLXCTDX-VXGBXAGGSA-N 297.399 1.254 0 50 CDAA Cc1[nH]c(C(=O)O)c(C)c1C(=O)NCCC[C@@H]1CCOC1 402382766 NZELVMFDBJXGFD-LLVKDONJSA-N 294.351 1.876 0 50 CDAA C[C@H](NC(=S)NC[C@H]1CCCO1)[C@H]1CCCO1 251726819 ZLXPHSCONNXDDD-HBNTYKKESA-N 258.387 1.197 0 50 CDAA Cc1nc([C@@H](N)Cc2c[nH]cn2)n(-c2ccc(F)cc2)n1 67472835 PKCPGPAXKYRFPD-ZDUSSCGKSA-N 286.314 1.680 0 50 CDAA O=S(=O)(c1ccc2c(c1)OCO2)N1CC[C@@H](F)C1 331887865 WOKGVSJZXUZEFN-MRVPVSSYSA-N 273.285 1.148 0 50 CDAA Cc1ccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)nc1 122166757 SOASBVDOIVWJRW-NSHDSACASA-N 276.340 1.509 0 50 CDAA CCOc1cc(N2C[C@H]3CCCN3C[C@H]2C)ncn1 252585949 MJZDZZNIWDKGKD-VXGBXAGGSA-N 262.357 1.548 0 50 CDAA Cc1cc(C)n(-c2ccc(CC(=O)O)cc2)c(=O)n1 190286 HAVJDLOUMAJUNY-UHFFFAOYSA-N 258.277 1.476 0 50 CDAA CC(C)(C)c1ccc(CSc2nncc(=O)n2N)cc1 149375 HUYLBOIMZPKUBN-UHFFFAOYSA-N 290.392 1.942 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)[C@H]1CCCOC1 328628554 NVUJDOLBPGOGDV-STQMWFEESA-N 277.368 1.331 0 50 CDAA CCN1CCN(C(=O)C[C@H]2C=CCC2)C[C@H]1c1ncc[nH]1 328620292 GWIAEPGDEUUDPI-KBPBESRZSA-N 288.395 1.971 0 50 CDAA CCN(CC)c1ncccc1CNC(=O)c1nc[nH]c1C 71315716 IIMCEBNKCIPUGL-UHFFFAOYSA-N 287.367 1.889 0 50 CDAA N[C@@H]1CC[C@@H]1NC(=O)c1cccc(-n2cccn2)c1 72154063 XXIWNIXMNZSEFJ-OLZOCXBDSA-N 256.309 1.092 0 50 CDAA Cc1c(C(=O)N(C)c2cnn(C)c2)cnn1CC(C)C 124391436 CLQJWDSVXSXJBC-UHFFFAOYSA-N 275.356 1.858 0 50 CDAA Cc1cc(N2CCC[C@@H](NCc3ncc[nH]3)C2)n(C)n1 364797866 RBSTVCAYGSVMKQ-GFCCVEGCSA-N 274.372 1.210 0 50 CDAA CCN1C[C@@H](N[C@H]2CCCc3c(O)cccc32)CC1=O 333279586 XPRDTQGBIHEWOP-FZMZJTMJSA-N 274.364 1.980 0 50 CDAA CC(=O)N1CC[C@](C)(C(=O)NCc2cccc(CO)c2)C1 365823423 WATTZRWFQIOROM-INIZCTEOSA-N 290.363 1.054 0 50 CDAA NC[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nn1 72152130 ALJISQYRRMXMDG-HNNXBMFYSA-N 271.368 1.581 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@](C)(N)C3CC3)C2)no1 237773091 LOMVYZCXXIYVEE-XHDPSFHLSA-N 292.383 1.287 0 50 CDAA CC[C@]1(O)CCN(Cc2csc(C)n2)C[C@@H]1O 219593975 DDZJFZNKJQMRSR-RYUDHWBXSA-N 256.371 1.159 0 50 CDAA Cc1ocnc1C(=O)N1CC(N2CCCC[C@@H]2C)C1 216067495 ASNXDZXTHLWBOB-JTQLQIEISA-N 263.341 1.682 0 50 CDAA C[C@@H](CN(C(=O)c1cn2ccccc2n1)C1CC1)C(=O)O 262085920 BWGXQJIGHWVRQI-JTQLQIEISA-N 287.319 1.660 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N([C@H](C)CCc2cccc(F)c2)C1 284474603 DXGNYLLFYDEUEK-UGFHNGPFSA-N 294.370 1.721 0 50 CDAA Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@H](N)C2)n1 158560786 GPFQATOESZZXER-NWDGAFQWSA-N 250.346 1.011 0 50 CDAA CN1C(=O)[C@@H]2CN(Cc3cc(Cl)ccc3F)C[C@@H]2C1=O 216436794 PIHDFHZQGPHRFR-PHIMTYICSA-N 296.729 1.526 0 50 CDAA CCc1ncnc(N2C[C@@H](COC)OC(C)(C)C2)c1F 285031216 NKCCFIDQSJBDIT-JTQLQIEISA-N 283.347 1.808 0 50 CDAA NC(=O)C[C@H]1CCCN(C(=O)c2cccc3cc[nH]c23)C1 174752241 LNTPPIJZONXKBX-LLVKDONJSA-N 285.347 1.896 0 50 CDAA O=C(N[C@H]1CCc2ncnn2C1)c1cc2ccccn2c1 174815926 CLSFWUBDOGEXOC-LBPRGKRZSA-N 281.319 1.276 0 50 CDAA Cc1nnsc1CNC(=O)Cc1ccc2c(c1)OCO2 223751124 FFJAHMWNOIYUKO-UHFFFAOYSA-N 291.332 1.434 0 50 CDAA CC[C@H](NC(=O)CCc1cccc(O)c1)C1CC(O)C1 222938280 KEVPEYDYIGQNAR-ZALBZXLWSA-N 277.364 1.991 0 50 CDAA CC(C)c1ncc(C(=O)N2CCOC[C@@H]2CC(=O)O)s1 263325591 SPHNKQILAIYUHR-VIFPVBQESA-N 298.364 1.582 0 50 CDAA CCN1CCN(C(=O)c2ccccc2-n2ccnn2)[C@@H](C)C1 288277551 GEYYDNDEPUYDDD-ZDUSSCGKSA-N 299.378 1.434 0 50 CDAA CC(C)c1noc([C@H](C)NC(=O)NC2(CO)CCCC2)n1 426491343 CKOHBABXBLFNLZ-JTQLQIEISA-N 296.371 1.858 0 50 CDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(OC)o1 82115083 OYQCMDVESMYFKY-LLVKDONJSA-N 294.351 1.761 0 50 CDAA Cc1nn2cc(CNC(=O)c3ccncc3F)nc2s1 221443113 HRJBGHOUOYIGGW-UHFFFAOYSA-N 291.311 1.563 0 50 CDAA NC[C@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 178516673 PAIOCXSARRSALD-PWSUYJOCSA-N 294.782 1.698 0 50 CDAA Cc1ccn2c(C(=O)N3C[C@@H]4CCC[C@H]3C4)nnc2n1 426436733 QXUVOYCSOKIISS-MNOVXSKESA-N 271.324 1.447 0 50 CDAA CC(C)n1ccc(C(=O)NCCc2nccn2C)n1 426723875 MOIFRHABBPRMMW-UHFFFAOYSA-N 261.329 1.170 0 50 CDAA CC(C)N1CCCN(C(=O)CCc2cncnc2)CC1 292353167 UHKYCJBXBVKDJA-UHFFFAOYSA-N 276.384 1.352 0 50 CDAA CN(C)c1nc2c(c(=O)[nH]1)CN(C(=O)OC(C)(C)C)CC2 238289723 FHNZSXNSUCQFSI-UHFFFAOYSA-N 294.355 1.129 0 50 CDAA CCCc1n[nH]cc1C(=O)N1C[C@@H](CCC)[C@H](C(=O)O)C1 91707356 BHQJHIJFBJQIKP-ZYHUDNBSSA-N 293.367 1.935 0 50 CDAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCc2nc[nH]c2C1 96132556 YHTCUGZIARXUTQ-UHFFFAOYSA-N 293.330 1.998 0 50 CDAA CCc1cc(CN(C)C(=O)CN2C(=O)CC[C@@H]2C)on1 95519877 RYDKSMOTHCNGRN-JTQLQIEISA-N 279.340 1.206 0 50 CDAA Cc1c(CCC(=O)N2CC[C@H](CCCO)C2)cnn1C 622677930 NLSULZBMHXNRAH-ZDUSSCGKSA-N 279.384 1.282 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cn3ccccc3n2)n[nH]1 343337558 ADHWFXVCYTVTLT-QMMMGPOBSA-N 270.296 1.252 0 50 CDAA CC(C)CS(=O)(=O)CC(=O)N1CCc2c(F)cccc21 183736091 QGZHSEYFNMVQAX-UHFFFAOYSA-N 299.367 1.786 0 50 CDAA CN(C)C(=O)CC1CCN(C[C@H]2CCCOC2)CC1 358076038 RIKROCRGCCMJCM-CQSZACIVSA-N 268.401 1.603 0 50 CDAA CCCc1nc(C)c(CNC(=O)CN2CCCC2=O)s1 534665433 TWLAMYRNHQGIQN-UHFFFAOYSA-N 295.408 1.643 0 50 CDAA Cc1ncsc1CCC(=O)NCC1(CO)CCOCC1 534637863 OTMMAWXSVMEOSY-UHFFFAOYSA-N 298.408 1.289 0 50 CDAA O=C(NCc1ccc(CN2CCCC2)cc1)[C@H]1C=CCN1 299802064 ZQRFYFQNZYKZJN-MRXNPFEDSA-N 285.391 1.427 0 50 CDAA CC(C)n1cnnc1CCNC(=O)[C@@]1(C)CCCCO1 299776276 MRDMXRSMQXVRSQ-CQSZACIVSA-N 280.372 1.477 0 50 CDAA O=C(NC1CCN(c2cnccn2)CC1)c1ccoc1 299781412 FHWILFKUMKKPBU-UHFFFAOYSA-N 272.308 1.468 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@H]2C(=O)O)ccc1Cl 656158896 HYAWLGQPOKJYLK-JTQLQIEISA-N 289.740 1.496 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 584898202 XJUBUEYVWSNMTJ-NSHDSACASA-N 289.339 1.013 0 50 CDAA COCCc1noc([C@H](C)NC(=O)c2ccoc2)n1 584892601 QTTVMXNWKHWOAO-QMMMGPOBSA-N 265.269 1.343 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cscn1 670471659 QVYZKUPLOCSQDQ-MYJAWHEDSA-N 252.339 1.925 0 50 CDAA Cc1ccc(C)c(CCN2C[C@H](C(=O)O)CC2=O)c1 65507346 XADRTZIQZPGUCI-CYBMUJFWSA-N 261.321 1.779 0 50 CDAA CCN(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 952879523 FHDATWCLNNWEOH-MRVPVSSYSA-N 262.279 1.855 0 50 CDAA C[C@@H](Cc1ccc(F)cc1F)NCc1nnn(C)n1 1875285411 MPFIOVKJVYTEDF-QMMMGPOBSA-N 267.283 1.209 0 50 CDAA CCc1ccnc(CNC(=O)c2cc(C(=O)O)nn2C)c1 1875270524 FOIBPENYZDXZOQ-UHFFFAOYSA-N 288.307 1.006 0 50 CDAA Cc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)[nH]1 1875341013 CFYOGZKFNLSNIT-UHFFFAOYSA-N 257.293 1.603 0 50 CDAA O=C(N1CC[C@@H]1C1CCC1)C1(c2nc[nH]n2)CCOCC1 1875323708 PXMKOPNJILOMNP-GFCCVEGCSA-N 290.367 1.254 0 50 CDAA CCS(=O)(=O)N(C)CCCN1CCCCCC1 952969582 OHUJJAMWEYCNEF-UHFFFAOYSA-N 262.419 1.534 0 50 CDAA CC[C@@H](C)Cc1nc(C2(C)COC2)n(CC(C)(C)O)n1 952967911 CQNHZECVMAIQNZ-LLVKDONJSA-N 281.400 1.926 0 50 CDAA CCn1c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)nc2ccccc21 268888379 HJJQTWXDEFNAAJ-BDAKNGLRSA-N 273.292 1.715 0 50 CDAA CC(=O)N1C[C@H](NCc2cc[nH]n2)CC[C@@H]1C(F)(F)F 886035006 MTOWOYXVJCHPHW-GHMZBOCLSA-N 290.289 1.441 0 50 CDAA CCC[C@H]1CN(c2noc(C3CC3)n2)C[C@@H]1C(=O)O 1565529925 ZIPVNWREHFIPIM-UWVGGRQHSA-N 265.313 1.884 0 50 CDAA CO[C@H](C)C1=NN(c2ccc(S(C)(=O)=O)cc2)C(=O)C1 899346982 DKEYHYVJRNHLLP-SECBINFHSA-N 296.348 1.218 0 50 CDAA CS(=O)(=O)c1ccc(Br)c(F)c1 38537087 QALKAUDOPSIGEI-UHFFFAOYSA-N 253.092 1.992 0 50 CDAA in-vitro O=C(NCc1ccc2cncn2c1)[C@H]1C[C@@H]1C(F)F 1535356083 HUOIHHFPKHLKDW-QWRGUYRKSA-N 265.263 1.852 0 50 CDAA Cn1cc([C@H]2CCN(c3ncnc4[nH]ncc34)C2)cn1 301317153 OFLQUFOPXZOPDC-VIFPVBQESA-N 269.312 1.080 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccncc1 275286775 FOVMSCDRKOTVDR-RYUDHWBXSA-N 272.308 1.075 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cc[nH]n2)cn1 275441105 FXVXAZIMZMGOSE-QWHCGFSZSA-N 261.329 1.153 0 50 CDAA OCCO[C@H]1CCCN(c2nc3ccccc3[nH]2)C1 170057276 YGNXGBPVQPLCCQ-NSHDSACASA-N 261.325 1.541 0 50 CDAA COC[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@H](C)O1 187329010 YZSHLARTCCOAHZ-FZMZJTMJSA-N 296.342 1.771 0 50 CDAA COC(=O)[C@@H]1CCC[C@H](OC(=O)c2cccn2C)C1 170604334 LHEMLQNCLHTEFN-MNOVXSKESA-N 265.309 1.914 0 50 CDAA Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)c(C)o1 189181106 JDHZEBIPEBSMSG-KCJUWKMLSA-N 273.354 1.145 0 50 CDAA Cc1nccn1CCCn1cc(C[C@H](O)C(C)(C)C)nn1 641149888 PQABUZKAORGGHJ-AWEZNQCLSA-N 291.399 1.823 0 50 CDAA CC(C)(O)[C@H]1CCCN1Cc1cn(C(C)(C)C)nn1 191479630 ZILQEQFIJMWGJV-GFCCVEGCSA-N 266.389 1.768 0 50 CDAA CN(C(=O)COC[C@@H]1CCCO1)c1cccc(Cl)n1 585088814 ACMFUWXHABZNQB-JTQLQIEISA-N 284.743 1.893 0 50 CDAA CCN(CC=C(Cl)Cl)CCS(C)(=O)=O 585094390 WRZBKSIRJTYABC-UHFFFAOYSA-N 260.186 1.672 0 50 CDAA Cc1cnc2c(c1)N(C(=O)COC[C@@H]1CCCO1)CC2 585122426 DDZLNZGCAPHFBS-LBPRGKRZSA-N 276.336 1.475 0 50 CDAA CCN(CC)C(=O)C(=O)Nc1ccc(C(F)(F)F)cn1 192978114 VXYWVPNGKBEXFP-UHFFFAOYSA-N 289.257 1.907 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCc2c(F)cccc2C1 901218434 MGOVHMNNINGFEE-UHFFFAOYSA-N 290.338 1.745 0 50 CDAA C[C@H]1CN(C2(C(=O)O)Cc3ccccc3C2)C[C@@H](C)O1 41843004 ZJKGRKSUCAJYJC-TXEJJXNPSA-N 275.348 1.718 0 50 CDAA C[C@@H](NC(=O)[C@@]1(C(=O)O)CC=CCC1)c1ncon1 653309395 BQGFHUXQIAESBQ-PRHODGIISA-N 265.269 1.058 0 50 CDAA CC(C)c1cc(C(=O)N2CCNC[C@H]2c2ccncc2)n[nH]1 567659041 DYZMLHORARATHQ-HNNXBMFYSA-N 299.378 1.715 0 50 CDAA CN(CCCc1nccn1C)C(=O)[C@@H]1CCC[C@H](O)C1 1074636113 VZJAUICDGVYAIJ-OLZOCXBDSA-N 279.384 1.362 0 50 CDAA c1ccc([C@H]2CCCN2CCN2CCOCC2)nc1 571902469 MWGVWMNKLCQMTQ-OAHLLOKOSA-N 261.369 1.551 0 50 CDAA O=c1/c(=C/c2ccco2)sc2nc(-c3ccccc3)nn12 199579 QDDSAAOBNRWOLI-XFXZXTDPSA-N 295.323 1.959 0 50 CDAA Cc1nn(C)cc1NC(=O)C[C@H]1CCCCN1C 1529100111 NPTKTGGHHFGJJS-LLVKDONJSA-N 250.346 1.541 0 50 CDAA Cc1[nH]nc(CN2C[C@@H]3CCCN3C(=O)[C@@H]2C)c1Cl 1800413403 GAMIGKNOVRQLKQ-UWVGGRQHSA-N 282.775 1.567 0 50 CDAA COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 75828 NJNFJGGLRAIOEN-UHFFFAOYSA-N 262.092 1.896 0 50 CDAA biogenic,in-vitro CCOC(=O)C(C)(C)n1cc(Br)cn1 202408778 LUZUFIVVNUMTGP-UHFFFAOYSA-N 261.119 1.944 0 50 CDAA in-vitro CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccno3)C[C@@H]21 1704343282 VTJCGKIQDZZURF-UHIISALHSA-N 264.325 1.688 0 50 CDAA Cc1cc(=O)oc2ccn(CCCn3cccn3)c(=O)c12 1547200874 MWKXREVBAPVQPB-UHFFFAOYSA-N 285.303 1.550 0 50 CDAA COc1cc(OC)cc(-n2nc(Cl)ccc2=O)c1 215774471 CSXWQKFIJKBSSH-UHFFFAOYSA-N 266.684 1.903 0 50 CDAA C[C@@H](CO)NC(=O)c1csc(-c2ccccn2)n1 125450277 RGVYWTRDSVIDAI-QMMMGPOBSA-N 263.322 1.316 0 50 CDAA CC(C)N1CCC(O)(CNC(=O)[C@H]2CC2(C)C)CC1 337599146 CIASGPADAIEGRY-GFCCVEGCSA-N 268.401 1.384 0 50 CDAA CC(C)NC(=O)CCNc1nccc2nsnc12 1615587379 ZVRBQTWMWLPMIG-UHFFFAOYSA-N 265.342 1.413 0 50 CDAA C[C@@H]1C[C@@H](CNC(=O)N2C[C@H](F)[C@H](F)C2)CCO1 1615572305 RSTZSDBIKCVQHM-YTWAJWBKSA-N 262.300 1.503 0 50 CDAA COc1cccc(N2CCC(N3C[C@H](O)[C@@H](F)C3)CC2)c1 1616157769 XRQMKLXTYWGQIA-HOTGVXAUSA-N 294.370 1.679 0 50 CDAA COCC(=O)NC[C@@H]1Cc2cccc(-c3cccnc3)c2O1 11790957 CMFMQJLEYGVEKK-AWEZNQCLSA-N 298.342 1.815 0 50 CDAA Cc1ccc(C(=O)NCCCN2CCOCC2)s1 13744226 BDBOBLIPPAPUCM-UHFFFAOYSA-N 268.382 1.509 0 50 CDAA S=C(NCCN1CCOCC1)Nc1ccccc1Cl 19853083 PMUYGWVOIXUVFV-UHFFFAOYSA-N 299.827 1.959 0 50 CDAA Cc1cccc(NC(=O)C(=O)NCc2ccncc2)c1 2826314 COVIFKBNHFMWIZ-UHFFFAOYSA-N 269.304 1.645 0 50 CDAA Cc1cc(CN2CCN(c3ccnc(C)n3)CC2)n(C)n1 417980923 BSVHBTWRKVNISW-UHFFFAOYSA-N 286.383 1.149 0 50 CDAA CCc1cc(=NC[C@H](C)CN)nc(-c2ccncc2)[nH]1 420210935 DYEZFHKMMCOVHI-LLVKDONJSA-N 271.368 1.530 0 50 CDAA C[C@H](C(=O)O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 237440051 AXGVJWATJYZQJR-SNVBAGLBSA-N 296.754 1.457 0 50 CDAA C[C@@H]1CCCN1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 237402886 PKALSIWDPOVLNL-OCCSQVGLSA-N 290.363 1.283 0 50 CDAA CCN(C(=O)Cc1cccc(C(=O)O)c1)[C@H]1CCCOC1 652120662 DYXAJEVTDXMPDN-AWEZNQCLSA-N 291.347 1.955 0 50 CDAA C[C@H]1CCN(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1 336440498 GKKIXBZAYSJPJH-UONOGXRCSA-N 293.411 1.783 0 50 CDAA Cc1nc2ccc(=NCc3ccc(F)cc3F)[nH]n2n1 341928927 NDOUVZBSKWNHML-UHFFFAOYSA-N 275.262 1.745 0 50 CDAA Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@H](C)C(=O)O 262232123 WXHUWZMIPDAQET-LLVKDONJSA-N 299.330 1.997 0 50 CDAA COc1ccc2c(c1)C1(CC1)CN([C@@H](C)c1nnnn1C)C2 377721130 LZBYSWKULGXWMP-NSHDSACASA-N 299.378 1.827 0 50 CDAA NC(=O)CC1CCN(c2ncnc3[nH]ccc23)CC1 263793189 ODGSGOWTVQRRPU-UHFFFAOYSA-N 259.313 1.050 0 50 CDAA CCc1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)cc1CC 162631694 RVIUOTFKNYRORY-CQSZACIVSA-N 297.420 1.957 0 50 CDAA C=CC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 820436994 XSUIFHJWHFMXRE-QMMMGPOBSA-N 251.311 1.259 0 50 CDAA Cc1cc(F)ccc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1704335299 CVFBYSWAPADQHW-OCCSQVGLSA-N 292.354 1.537 0 50 CDAA CCC(CC)(CNC(=O)c1csc(O)n1)C(=O)O 909384126 YWYSXUFALYCXBT-UHFFFAOYSA-N 272.326 1.470 0 50 CDAA C[C@H]1CN(Cn2ccc(-c3ccc(F)cc3)n2)CC(=O)N1 840135703 TWLYQQAZXLSSFC-NSHDSACASA-N 288.326 1.467 0 50 CDAA CC[C@@H](C(=O)O)C(=O)N[C@@H](C)c1cccc(NC(C)=O)c1 822549773 GCIJMJMTLSXUQY-TVQRCGJNSA-N 292.335 1.933 0 50 CDAA C[C@H](C(=O)N1CCc2nc[nH]c2C12CCC2)c1cncnc1 829071045 RVYLIGNHZJJJRQ-NSHDSACASA-N 297.362 1.767 0 50 CDAA Cn1ncc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1Cl 857275369 OEHTVQWTHNKEDN-SECBINFHSA-N 294.746 1.559 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)CN1Cc1ccc(F)cc1Cl 228609954 UZCZBPOYMWNYKC-KOLCDFICSA-N 273.691 1.499 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@H]2CC23CCOCC3)[C@@H]1CN 237420791 QSDXMSJZSSORFA-JHJVBQTASA-N 266.385 1.389 0 50 CDAA Nc1nnc(SCC(=O)c2nccs2)s1 309072950 GUZVNFDJFJPJPH-UHFFFAOYSA-N 258.353 1.552 0 50 CDAA OC[C@]1(O)CCCN(c2ccnc3ccccc23)C1 313637396 MYTBHISJNVZZLP-HNNXBMFYSA-N 258.321 1.558 0 50 CDAA O=C(COc1cccc(F)c1)N1CC(O)(C(F)F)C1 425011040 PPEGKYZDOMIUNP-UHFFFAOYSA-N 275.226 1.043 0 50 CDAA NC1CCN(C(=O)NC[C@@H]2CC3CCC2CC3)CC1 335350516 YWMHXMBOZWYIFM-BPCQOVAHSA-N 265.401 1.945 0 50 CDAA Cc1cc2n(n1)CCN(Cc1nc(C(F)(F)F)no1)C2 670454172 YWJVVUXMRGOLTG-UHFFFAOYSA-N 287.245 1.609 0 50 CDAA C[C@H](O)Cc1cn(-c2cc(F)cc(Cl)c2)nn1 709261916 CSJQQURQHVLYTG-ZETCQYMHSA-N 255.680 1.983 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1 116851 SJQFAYNSLYYODE-GFCCVEGCSA-N 296.392 1.321 0 50 CDAA Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCO2)c1C 2906082 HMLIVEBXROGQDD-LBPRGKRZSA-N 276.336 1.537 0 50 CDAA Cn1nnc([C@@H]2CN(C3CC4(CCCCC4)C3)CCO2)n1 2100482548 HUHRHTIGVKCLFK-ZDUSSCGKSA-N 291.399 1.696 0 50 CDAA CCCc1nc(NC(=O)c2cnc(SC)nc2)n[nH]1 2100482556 IHXKTNVXMKTWJN-UHFFFAOYSA-N 278.341 1.521 0 50 CDAA CCN(CC(=O)NCC(=O)c1c[nH]c2ccccc12)C1CC1 2325781818 QJJSIZJKXKHJJM-UHFFFAOYSA-N 299.374 1.951 0 50 CDAA COc1cccc2ncnc(N[C@H]3CC[C@@H](O)[C@@H](O)C3)c12 896972303 YLCURWLPGUYOOJ-WCQGTBRESA-N 289.335 1.325 0 50 CDAA Cc1cccn2c(=O)c(C=O)c(N3CCCC3)nc12 306925 KBDLCXLVGXYOGD-UHFFFAOYSA-N 257.293 1.416 0 50 CDAA Cc1cccc(OCc2nc3ccccc3c(=O)n2N)c1 314051 HHKJDAAFHGGEJN-UHFFFAOYSA-N 281.315 1.998 0 50 CDAA CCCN[C@H](CC(=O)Nc1ccccc1)C(=O)O 2087932 LSMAZRAFLNXOAL-LLVKDONJSA-N 250.298 1.468 0 50 CDAA CC(C)n1ncc(=NC(=O)[C@@H]2CC(=O)OC23CCCC3)[nH]1 2356140014 QBRBMVSVAPMIAS-JTQLQIEISA-N 292.339 1.095 0 50 CDAA CN(C)Cc1nnc2n1[C@@H](Cc1ccccc1)C(=O)N(C)C2 2356161931 QIOKGZWIUXYRAM-ZDUSSCGKSA-N 299.378 1.096 0 50 CDAA COCCNC(=O)c1ccccc1NC(=O)c1cccnc1 10673441 FWERGCWWJQFWLJ-UHFFFAOYSA-N 299.330 1.710 0 50 CDAA C[C@H](C(=O)Nc1ccccc1-n1cccn1)n1cncn1 171921810 WBASMOMHPPTMKL-LLVKDONJSA-N 282.307 1.664 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1 55051861 KTVIWFIEOVGCHN-CYBMUJFWSA-N 280.393 1.464 0 50 CDAA CCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100326521 FIIVHHIQKMMUBG-UHFFFAOYSA-N 286.331 1.793 0 50 CDAA biogenic CCOc1ccc(N[C@@H]2CC(=O)N(CCOC)C2=O)cc1 101129223 BPTQRNAIBCTNKT-CYBMUJFWSA-N 292.335 1.271 0 50 CDAA CN1CCN(CCCNC(=O)c2cccs2)CC1 20819072 ZCQSXKDHENSBSY-UHFFFAOYSA-N 267.398 1.115 0 50 CDAA Cc1cc(C)n(C[C@@H](C)Nc2cc(CCN)nc(C)n2)n1 67947832 VSOBMHYCNHMNTQ-LLVKDONJSA-N 288.399 1.600 0 50 CDAA S=C1NCN(C2C3CC4CC(C3)CC2C4)CN1 22298646 FYNZNWBGDQRRGA-UHFFFAOYSA-N 251.399 1.506 0 50 CDAA O=c1[nH]c(CCN[C@@H]2CCSC2)nc2ccccc12 65371444 ZKKUWLNLEWZHPN-SNVBAGLBSA-N 275.377 1.561 0 50 CDAA Cc1noc(C)c1-n1c(Cc2ccncc2)n[nH]c1=O 65529384 INVVNFIMBZDAMT-UHFFFAOYSA-N 271.280 1.151 0 50 CDAA CC/C=C/CCN1CCC[C@@](O)(C(=O)N2CCCC2)C1 346712080 ZINIOMDPQSOXIW-CWDCEQMOSA-N 280.412 1.792 0 50 CDAA Cc1ccoc1C(=O)NCCSc1cn[nH]n1 67856166 UWVFIMMBBBRSAE-UHFFFAOYSA-N 252.299 1.228 0 50 CDAA CS(=O)(=O)Nc1cccc(-c2ccncc2C(=O)O)c1 65356112 RNTSFNUAGPJRTN-UHFFFAOYSA-N 292.316 1.818 0 50 CDAA O=C(NCc1ccc(-n2cncn2)cc1)C1CCOCC1 60827820 FIGQAJDELSSVFA-UHFFFAOYSA-N 286.335 1.310 0 50 CDAA COCC(=O)NC[C@@H](c1ccccc1C)N(C)C 67934815 JGDJKOXVVLEVJK-ZDUSSCGKSA-N 250.342 1.360 0 50 CDAA CCOC(=O)C(=O)[C@H](C)SC(=N)c1cccnc1 170623904 IHXIBUMWXJHCFY-QMMMGPOBSA-N 266.322 1.661 0 50 CDAA Cc1ncsc1COC(=O)[C@@H]1CCC(=O)N1C 328593799 KWZGKZRAFQWBHB-QMMMGPOBSA-N 254.311 1.116 0 50 CDAA CC[C@@H](COC)NC[C@@H]1CCO[C@H]1c1ccnn1C 328651786 WATGWGDEJFHAQQ-SGMGOOAPSA-N 267.373 1.512 0 50 CDAA NC(=O)c1ccc(CNC(=O)c2c[nH]c3ncccc23)o1 354576120 VTSIFBFPPGIUID-UHFFFAOYSA-N 284.275 1.185 0 50 CDAA Cc1nnc(N2CC=C(c3ccnn3C)CC2)nc1C 329214887 LVUDIYRGYDEJAN-UHFFFAOYSA-N 270.340 1.516 0 50 CDAA CO[C@@](C)(C(=O)N1CC[C@]2(CN=C(O)C2)C1)C1CC1 329626179 OTWSRFKIOUQTLX-KGLIPLIRSA-N 266.341 1.380 0 50 CDAA CC(C)(CN1CCOCC1)CN1CCOC2(CCCC2)C1 32581058 WXTKKBXJDJGAKF-UHFFFAOYSA-N 296.455 1.990 0 50 CDAA CCOC1CC(Sc2nnc(CO)n2C2CC2)C1 330247162 FLKCORWLKHNDMO-UHFFFAOYSA-N 269.370 1.765 0 50 CDAA CCC[C@@]12CCCN1C(=O)N([C@H]1CCN(CC)C1=O)C2=O 253429506 CXVMGLLCDKOHTI-NHYWBVRUSA-N 293.367 1.204 0 50 CDAA CC1(C)C[C@@H](Nc2cccc3c2CCNC3=O)CO1 333615341 RBBGZCFVLFFPDC-SNVBAGLBSA-N 260.337 1.952 0 50 CDAA CC(C)OC1CC(N2CC[C@@H](NC(=O)NC3CC3)C2)C1 333898748 SDMFOSUYEAJUGK-IYXRBSQSSA-N 281.400 1.478 0 50 CDAA Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCCN3)c2)n[nH]1 37769039 ZRJRJRCIBNZSJR-ZDUSSCGKSA-N 285.351 1.861 0 50 CDAA C[C@@H](Oc1ccccc1)C(=O)N1CCOC[C@@H]1CC(=O)O 129389608 IWCVKAJXMFNXAI-NEPJUHHUSA-N 293.319 1.156 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c(=O)[nH]1 215322692 GODVKTOTHFQXJW-GFCCVEGCSA-N 298.346 1.493 0 50 CDAA COC[C@H](N)C(=O)NCc1nc2ccccc2n1C(C)C 262248866 ILIFNYNOVLPANC-NSHDSACASA-N 290.367 1.207 0 50 CDAA O=C(Cc1ccco1)N1CCC(c2nnc(O)o2)CC1 335705731 CSCKIINMEBFIAT-UHFFFAOYSA-N 277.280 1.317 0 50 CDAA Cc1cc(CN2CCCC[C@H]2C(=O)NCC(F)F)ncn1 451802006 KDPARRWBNMYKQB-LBPRGKRZSA-N 298.337 1.521 0 50 CDAA Cn1cc(C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)cn1 336032321 PAYYNDBSPHZGRH-UHFFFAOYSA-N 283.331 1.813 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCCNC2=O)CC1 79034679 SRXNZBIOGZNYEO-UHFFFAOYSA-N 268.357 1.914 0 50 CDAA in-vitro CO[C@H]1C[C@H](NC(=O)c2cnc(C)nc2C)C12CCC2 521825149 BRRSLJNLJBMNOF-STQMWFEESA-N 275.352 1.781 0 50 CDAA CCCc1cnc(C)nc1N1CCOC[C@H](CO)C1 77489370 ZRJWLCNMXFJSFN-LBPRGKRZSA-N 265.357 1.183 0 50 CDAA O=C(CN1C(=O)CSC1=O)c1ccc2c(c1)OCCO2 226095316 HKHSTYRZPJUBJW-UHFFFAOYSA-N 293.300 1.336 0 50 CDAA CN1CCN(C(=O)c2cnco2)C[C@@H]1c1ccccc1 221314031 UEQPIGRTTDZKKI-CYBMUJFWSA-N 271.320 1.804 0 50 CDAA O=C(O)[C@H]1CS[C@H](c2ccc(O)c(Cl)c2)N1 43476807 CJAPWNWFLYPMDO-VXNVDRBHSA-N 259.714 1.834 0 50 CDAA CCN(CC)[C@@H](CNc1ncncn1)c1ccco1 223195810 QJUOWBTXSSZHFK-NSHDSACASA-N 261.329 1.960 0 50 CDAA CC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 40442683 OTJULCBBAJJDGR-UHFFFAOYSA-N 256.346 1.864 0 50 CDAA CCc1oc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1C 178260772 OQLSNRRRWPTKIJ-SECBINFHSA-N 251.282 1.697 0 50 CDAA c1cc(CN2C[C@@H]3NCCO[C@H]3C2)c2ccncc2c1 426537719 OTPVRKJRKUQKCX-HOTGVXAUSA-N 269.348 1.407 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cc(F)c[nH]2)C1 294546942 MXAVLOAXPHHYQJ-ZDUSSCGKSA-N 295.358 1.337 0 50 CDAA O=C(Cn1ccc2ccccc2c1=O)N1CCCOCC1 95528006 RBFXITOJYQITPT-UHFFFAOYSA-N 286.331 1.250 0 50 CDAA Cc1nocc1CN[C@]1(CO)CCOc2ccccc21 293268180 NGWXURXSGDBJGN-HNNXBMFYSA-N 274.320 1.743 0 50 CDAA Cc1noc(C)c1CN1CC2(CCNCC2)OC1=O 95524985 SHGCISDTLAEZAZ-UHFFFAOYSA-N 265.313 1.366 0 50 CDAA O=C(CCc1cncc(F)c1)N1CCN(C2CC2)CC1 180075257 VNAVDDUNYCCMQN-UHFFFAOYSA-N 277.343 1.460 0 50 CDAA CC[C@@H](C(=O)NCc1ccc(C(=O)NC)o1)N1CCCC1 244594260 DJKQRXQQKUABHX-LBPRGKRZSA-N 293.367 1.130 0 50 CDAA COCCN(C)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 623185906 XFZZWMDYYODFCG-MWLCHTKSSA-N 251.330 1.180 0 50 CDAA CCCc1cc(CN(C)C[C@H]2CCCN2C)n[nH]1 252509445 YNZBJBAAIKXLEL-CQSZACIVSA-N 250.390 1.888 0 50 CDAA CCN(CC1CC1)S(=O)(=O)NCc1ccnc(OC)c1 183783053 LIPKGONCULQGFJ-UHFFFAOYSA-N 299.396 1.157 0 50 CDAA Cc1ccccc1C1(C(=O)N(C)CCC(=O)O)CC1 299753009 WMARGWGIWQLTFZ-UHFFFAOYSA-N 261.321 1.960 0 50 CDAA Cc1nn(C[C@H](C)NCc2nc(N)n[nH]2)c(C)c1Cl 534667041 NVVFNXINTUZRDD-LURJTMIESA-N 283.767 1.032 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)CCCC(=O)O 534653703 IWUTWDOHJUNUAP-JTQLQIEISA-N 253.302 1.033 0 50 CDAA CCOCCC(=O)N1CCCC2(CCNCC2)CC1 534646057 YNQWKJWRTNRJPD-UHFFFAOYSA-N 268.401 1.795 0 50 CDAA CCN1C[C@@H](C(=O)NCc2ccc3nc[nH]c3c2)CC1=O 615789622 ILFWDAWIDZVZHV-NSHDSACASA-N 286.335 1.048 0 50 CDAA C[C@@H](NC(=O)Cc1ccsc1)c1ncnn1C 276539217 YORZZVHAEXYJPB-MRVPVSSYSA-N 250.327 1.297 0 50 CDAA Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cc1O 91526392 TZGNJAREXWZGNM-OLZOCXBDSA-N 260.337 1.510 0 50 CDAA Cc1nnc(CN2CC(N3CCCC[C@H]3C)C2)s1 299781904 MLGIQLBCZYYVQY-SNVBAGLBSA-N 266.414 1.905 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H](C)Cn1cccn1 820631986 JJOCNJIIPZLIJV-NSHDSACASA-N 289.383 1.608 0 50 CDAA CC(C)n1cnnc1CCNC(=O)c1cncc(F)c1 584901295 VKINJHXUULEVOS-UHFFFAOYSA-N 277.303 1.366 0 50 CDAA Cc1nc(O)c(Cl)c(NC[C@H]2CC(=O)N(C3CC3)C2)n1 828248282 WHVAZRYZMRLNKJ-MRVPVSSYSA-N 296.758 1.567 0 50 CDAA O=C(CCSc1ccccc1)OCCc1nn[nH]n1 585135930 JDCBOWWRRBWBJD-UHFFFAOYSA-N 278.337 1.468 0 50 CDAA CCS(=O)(=O)CCn1cnc2c(C)c(C)ccc2c1=O 584894569 DFJFDUVUKCPZHN-UHFFFAOYSA-N 294.376 1.448 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2ccc(CN(C)C)o2)n[nH]1 670455867 IFWXDZRZSXECBZ-MRVPVSSYSA-N 277.328 1.259 0 50 CDAA CN(CC(F)(F)F)C(=O)NCCCn1ccccc1=O 670448723 BNKPQQJFKCQPCE-UHFFFAOYSA-N 291.273 1.442 0 50 CDAA CSC[C@H](NC(=O)c1cn2ccc(C)cc2n1)C(=O)O 910887541 GCVZIUADUANFKU-JTQLQIEISA-N 293.348 1.189 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)CCc1ccc(Cl)cc1 268968900 FJAMGXXJZZSYQV-LBPRGKRZSA-N 297.738 1.585 0 50 CDAA O=C(c1cc2c([nH]1)CCC2)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 1549424911 FVAUJJWALILOPY-AVGNSLFASA-N 274.364 1.736 0 50 CDAA Cn1nncc1Cn1cc(C23CC4CC(CC(C4)C2)C3)nn1 1875282284 WEAROYKBXFSYIZ-UHFFFAOYSA-N 298.394 1.923 0 50 CDAA Cc1ccnc(CN2CCc3nnc(N(C)C)cc3C2)n1 952887838 BDZWMOWYXUWELQ-UHFFFAOYSA-N 284.367 1.199 0 50 CDAA CO/C(=C/c1ccccc1)c1nnc([C@@H]2CNC(=O)C2)o1 1875266355 WJHGERNJTMYJFY-WBOGTDJTSA-N 285.303 1.818 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C(C)(C)C)C1 958528548 QFGDSVRKXYGAKX-QMTHXVAHSA-N 272.389 1.732 0 50 CDAA Cc1nc(CS(=O)(=O)c2cccnc2)oc1C 1166854161 ZGOHGLLVZCHVRU-UHFFFAOYSA-N 252.295 1.660 0 50 CDAA CC(C)c1ocnc1C(=O)N(CCO)Cc1nccn1C 952988690 RLFIUOSJCZMIQZ-UHFFFAOYSA-N 292.339 1.166 0 50 CDAA COCCn1cnnc1[C@H](C)NCc1ccc(OC)nc1 952868890 IPTOTPBVLPMJTM-NSHDSACASA-N 291.355 1.179 0 50 CDAA CN(C)c1ccc([C@@H]2CCCN2C(=O)Cc2ccc[nH]2)nn1 886082164 HBLLSKRHIFLMCB-AWEZNQCLSA-N 299.378 1.777 0 50 CDAA Cc1cc(C(=O)N(C)Cc2nccn2C)cc(O)n1 132665470 ROECWJKMQBNJCF-UHFFFAOYSA-N 260.297 1.101 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N1[C@H](C)CC(CN)C[C@H]1C 888095978 MPMINJQHOOISDC-UPJWGTAASA-N 291.395 1.823 0 50 CDAA CNc1cc(N2CCNc3ccccc3C2)ncn1 891811819 GYSAFXWAVHEVJR-UHFFFAOYSA-N 255.325 1.950 0 50 CDAA O=C(N[C@@H](CO)C[C@@H]1CCCO1)c1cc2cccnc2[nH]1 899277100 KSAGNJFXCBZTNX-NEPJUHHUSA-N 289.335 1.223 0 50 CDAA CCOc1cc([C@@H](N)CS(C)(=O)=O)ccc1OC 95766943 BXUJVINGXQGNFD-JTQLQIEISA-N 273.354 1.138 0 50 CDAA in-vitro COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1N 211724890 XYNXHOHNYDERTP-ZJUUUORDSA-N 272.345 1.134 0 50 CDAA Cc1nnc(NC(=O)NC[C@H]2CCc3nccn3C2)s1 275346934 UDRFWVJHSULWCQ-SECBINFHSA-N 292.368 1.427 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccnn1CC 275646357 UBECCJIFTARXTI-KBPBESRZSA-N 289.383 1.739 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCC(n2cncn2)CC1 408474260 NDNHNNQWDCKIKF-KGLIPLIRSA-N 292.383 1.647 0 50 CDAA CCOC(=O)C[C@@H](NCC(=O)OC)c1ccccc1C 408523062 GFFATOVHIVOXDT-CYBMUJFWSA-N 279.336 1.752 0 50 CDAA COC(=O)[C@H](N[C@H]1CCSC1)c1ccc(O)cc1 170088965 TYOOPTJKBDVHDV-CMPLNLGQSA-N 267.350 1.701 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)C1CCOCC1 170064250 NNZWPFWRDDHZJG-SECBINFHSA-N 280.372 1.370 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)Nc2ccc(O)nn2)c1 170600115 JBLZIKYZHCUABB-UHFFFAOYSA-N 283.284 1.431 0 50 CDAA CN(C)c1cccc(COC(=O)c2cncnc2N)c1 170615827 CNTNFNQQRLYPIB-UHFFFAOYSA-N 272.308 1.482 0 50 CDAA Cc1nnc(CN2CCC[C@H]2c2cnn(C)c2)n1C1CC1 171410892 DUDGBCXSKYSERZ-AWEZNQCLSA-N 286.383 1.992 0 50 CDAA O=C(c1cccc(Nc2ncccn2)c1)N1CC(O)C1 675832435 DFJWFFPHSNREQC-UHFFFAOYSA-N 270.292 1.037 0 50 CDAA CCCNC(=O)CCNC(=O)N1CCSCC[C@@H]1C 191479602 IQVJNLGGLPNSOX-NSHDSACASA-N 287.429 1.440 0 50 CDAA COc1ccc2[nH]c(C(=O)NCCn3cnnc3C)cc2c1 191720684 ZFEBAHDVBJWHJY-UHFFFAOYSA-N 299.334 1.506 0 50 CDAA CCCN(CC1CC1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 195561515 HXNVITMYIMZNBN-RYUDHWBXSA-N 290.429 1.462 0 50 CDAA Cc1c(CCC(=O)N2C[C@@H](C)[C@](C)(CN)C2)cnn1C 576043464 OMPWWKBCIADFFW-IAQYHMDHSA-N 278.400 1.104 0 50 CDAA Cc1c[nH]nc1C(=O)NC(C)(C)[C@@H](O)C(F)(F)F 1347267101 HSGMCDPNYOQRCD-MRVPVSSYSA-N 265.235 1.150 0 50 CDAA CCc1noc(NC(=O)[C@H](CCSC)NC(C)=O)c1C 1529181945 RSYFDFRLBHXUQY-NSHDSACASA-N 299.396 1.742 0 50 CDAA COc1ccc(OCCCN(C)Cc2ncon2)cc1 1529089992 DKZWSXZFLQOPKG-UHFFFAOYSA-N 277.324 1.979 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccc(F)c(Cl)c1)C2 1704311518 MYACHYYSZNIDJQ-MNOVXSKESA-N 298.745 1.426 0 50 CDAA CCc1ccc(/C=c2\sc3ncnn3c2=O)cc1 16248057 JEWOSLNSDJTIOV-XFFZJAGNSA-N 257.318 1.261 0 50 CDAA Cn1nnc2cc(-n3ccnc3[C@H]3CCCNC3)ccc21 1800411574 LEZLWDPGPUIBCW-NSHDSACASA-N 282.351 1.621 0 50 CDAA COc1ncccc1NC(=O)N(C)Cc1ncc[nH]1 521394085 WGNKLPXUBSBWKK-UHFFFAOYSA-N 261.285 1.477 0 50 CDAA O=C(N[C@@H]1CCSC1)c1ccc(C(=O)O)nc1 231728666 ZVHYKHRLRYYNHG-MRVPVSSYSA-N 252.295 1.015 0 50 CDAA COCC1(C(=O)N2C[C@@H]3CC[C@]3(N)C2)CCCCC1 1615044561 FIZWJDNMAPPDES-WFASDCNBSA-N 266.385 1.533 0 50 CDAA Cn1ncc(NC(=O)[C@H]2CC=CCC2)c(Cl)c1=O 1615588122 NUUWFQMNUZEJMT-QMMMGPOBSA-N 267.716 1.729 0 50 CDAA CC(C)S(=O)(=O)CC(=O)Nc1cccnc1C1CC1 1615618422 XKODTXBMMOTFIJ-UHFFFAOYSA-N 282.365 1.721 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cnn(-c4ccncc4)c3)C[C@@H]21 1615613638 AUOCCSVIDJAMNG-LWWSYDQCSA-N 297.362 1.579 0 50 CDAA CNCc1nnc(NCCc2nc(C)c(C)s2)o1 1772709604 KYYUUPILJSGLAL-UHFFFAOYSA-N 267.358 1.517 0 50 CDAA Cc1nn2ncccc2c1C(=O)N1C[C@@H]2C[C@@]2(C)C1 1772816207 IRVRRRILZYJNJS-HZMBPMFUSA-N 256.309 1.520 0 50 CDAA O=C([C@@H](O)c1cccc(Cl)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775979140 GDQZGBKDZFNPNM-XCCSTKFXSA-N 295.766 1.603 0 50 CDAA CCCn1cc(CNc2ncc(F)c(N(C)C)n2)cn1 1772700850 JENBPDASNHRQQP-UHFFFAOYSA-N 278.335 1.900 0 50 CDAA CN1C[C@@H](CN2CCc3c(O)cccc3C2)CCC1=O 1775978675 BGDJOOHGOVZZIO-LBPRGKRZSA-N 274.364 1.619 0 50 CDAA CC(C)N(C)C(=O)C(=O)Nc1cccc(-n2ccnn2)c1 163443012 SMYJEIZMONPVGF-UHFFFAOYSA-N 287.323 1.073 0 50 CDAA Cc1ncsc1CCNC(=O)[C@H]1CCn2nccc2C1 1857709572 GFCOLQVZFPEBHT-NSHDSACASA-N 290.392 1.569 0 50 CDAA CCc1noc(NC(=O)c2nc3ncccn3n2)c1CC 1875251389 FDVARBZQPMIAOX-UHFFFAOYSA-N 286.295 1.489 0 50 CDAA Cc1cnn(CCC(=O)N2C[C@@H](C)[C@](C)(CN)C2)c1 423977245 UXKMMPORXSESSP-TZMCWYRMSA-N 264.373 1.025 0 50 CDAA CC(C)Oc1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)ccn1 330561512 INRZSZRZODDNDP-RYUDHWBXSA-N 282.315 1.414 0 50 CDAA O=C(NCc1cccc(Cl)c1)C(=O)NC[C@@H]1CCOC1 241161335 JZXGILCVAXHFAT-NSHDSACASA-N 296.754 1.109 0 50 CDAA Cc1ccc(-c2noc(Cn3ncn(C)c3=O)n2)cc1F 153963480 HDMMHAARULCHFQ-UHFFFAOYSA-N 289.270 1.128 0 50 CDAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1cc(C(F)(F)F)nn1C 906057843 OUMXGMFLLWKYNK-RCOVLWMOSA-N 293.245 1.181 0 50 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273.354 1.135 0 50 CDAA Cn1cc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)cn1 219264639 PRYPDZGYMZRWFG-UHFFFAOYSA-N 298.394 1.904 0 50 CDAA C[C@@](O)(c1ccc(N)cc1)[C@](C)(O)c1ccc(N)cc1 71772605 JDSJOLSLCNXOKL-HZPDHXFCSA-N 272.348 1.966 0 50 CDAA O=C(NCCSC1CCCCC1)c1c[nH]nn1 72171162 BEFKOCSMNSEMMT-UHFFFAOYSA-N 254.359 1.600 0 50 CDAA CCc1nccc(CN2CCN(CCSC)CC2)n1 215934077 BSRDPDNZKHQMBP-UHFFFAOYSA-N 280.441 1.520 0 50 CDAA Cn1cc([C@@H]2CN(C(=O)C(C3CC3)C3CC3)C[C@H]2N)cn1 333565278 LPGXHJJRMWVSNZ-UONOGXRCSA-N 288.395 1.109 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccc([S@@](C)=O)cc1 237257355 NVTMUWKRVUANJW-CWTRNNRKSA-N 280.393 1.248 0 50 CDAA CCCc1cc(C(=O)NCCc2ccccn2)[nH]n1 32657424 ZGOMJKOVJMHDSM-UHFFFAOYSA-N 258.325 1.730 0 50 CDAA NC[C@H]1CCCCN1C(=O)Cc1cc(F)ccc1F 237948125 NVPMEUKDWOLDFP-GFCCVEGCSA-N 268.307 1.847 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@H]1CCCOC1)c1cccs1 237963812 XITCIXMLXVGHQI-UWVGGRQHSA-N 283.349 1.807 0 50 CDAA O=c1[nH]ncc(NC[C@@H]2CSCCS2)c1Cl 129908185 VBVTZQFJOIJBKJ-ZCFIWIBFSA-N 277.802 1.684 0 50 CDAA Cn1cnc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)n1 336013904 VTXWMCBNCLKXQX-AWEZNQCLSA-N 292.289 1.665 0 50 CDAA CN(C)c1cnc(C(=O)N2CCC[C@](C)(F)C2)cn1 452580402 XHAXRMMITDWLNP-ZDUSSCGKSA-N 266.320 1.507 0 50 CDAA Cn1ccnc1[C@H](O)C1CCN(Cc2cscn2)CC1 89925183 ITQVOZXAPJLLQG-CYBMUJFWSA-N 292.408 1.822 0 50 CDAA OC[C@H](O)CNc1ccc2cc(Br)ccc2n1 133466689 USHVPLBRBORKMW-SNVBAGLBSA-N 297.152 1.762 0 50 CDAA Cc1cnn([C@@H](C)C(=O)NCCCOc2cccnc2)c1 426536510 QBJHVAXUUDIRNE-ZDUSSCGKSA-N 288.351 1.733 0 50 CDAA Cc1nc(CNC(=O)[C@]2(C)CCCO2)nc2c1CCCC2 426640414 PIMHSRVKYGDEIS-INIZCTEOSA-N 289.379 1.849 0 50 CDAA CCc1cc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)n(C)n1 290103816 KMLXGCTWJBVNSH-DGCLKSJQSA-N 265.357 1.982 0 50 CDAA Cc1cncc(-c2ncc(F)c(N3CCOCC3)n2)c1 426497288 QCWRVACCQCENQK-UHFFFAOYSA-N 274.299 1.823 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2nccn2c1 223448062 AWYQYMZHZRSRAX-CHWSQXEVSA-N 289.335 1.258 0 50 CDAA CCO[C@H](C)C(=O)N1CCc2[nH]nc(C3CC3)c2C1 426531529 DMAAHINUHCTCBK-SECBINFHSA-N 263.341 1.597 0 50 CDAA Cc1cc2c(cc1C)[C@H](C(=O)N1CC(CN(C)C)C1)CO2 615505086 NEOASGDVOTWKRE-OAHLLOKOSA-N 288.391 1.799 0 50 CDAA C[C@@H](C(=O)NCc1ncc(Cl)cn1)n1cccn1 426387309 QYNLTBNAPJAQNM-QMMMGPOBSA-N 265.704 1.204 0 50 CDAA CCSCCNC(=O)Cn1nccc1[C@H]1CCCNC1 426410443 GTPZPONPDKGUSH-LBPRGKRZSA-N 296.440 1.219 0 50 CDAA Cc1cccc(C)c1OCC(=O)N(C)[C@H]1CCNC1 179120426 UKTWITWEXLCGFL-ZDUSSCGKSA-N 262.353 1.503 0 50 CDAA C[C@H](Cc1cnccn1)NC(=O)CCCN1CCCCC1 95377984 WDGVMPYQAVELKV-CQSZACIVSA-N 290.411 1.790 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 180114779 OWMXZIYBJRQDBR-MFKMUULPSA-N 293.273 1.636 0 50 CDAA COc1ccc([C@](C)(O)CNc2ccncn2)cc1 91416806 OWZRECMJFBTFIL-CQSZACIVSA-N 259.309 1.805 0 50 CDAA O=C(Cn1sc2ccccc2c1=O)N1CCSCC1 95507876 SLLHYZJXWIQAEF-UHFFFAOYSA-N 294.401 1.638 0 50 CDAA CC(=O)NCC1CCN(c2ncc(F)c(N(C)C)n2)CC1 96165122 OCTRODZPIHZOOY-UHFFFAOYSA-N 295.362 1.034 0 50 CDAA CCCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)o1 95380317 FQNRWMDEFILHBG-CYBMUJFWSA-N 294.399 1.571 0 50 CDAA C=CC(=O)NCc1ccc(C(=O)N2CC(OCC)C2)cc1 295016987 WBUQCIOCOFWRJV-UHFFFAOYSA-N 288.347 1.350 0 50 CDAA Cc1nc(N(C)C)ncc1-c1nc([C@H]2CCOC2)no1 96153487 DTGUPCIXLJTANH-VIFPVBQESA-N 275.312 1.405 0 50 CDAA CCCc1nc(C(=O)N2CCN(C(=O)OC)CC2)cs1 92065489 BWEXHLVBWMTFPM-UHFFFAOYSA-N 297.380 1.620 0 50 CDAA COCCC[C@H]1CCCN(c2cc(C(N)=O)ccn2)C1 96150376 IDJFMABMGQHOGR-GFCCVEGCSA-N 277.368 1.824 0 50 CDAA CCc1nnc(CN(C)Cc2noc(-c3ccco3)n2)o1 243932342 BVJIQNQNTAEGOU-UHFFFAOYSA-N 289.295 1.907 0 50 CDAA C[C@H]1CCC[C@@H](C)N1CCN=c1ccc(C(N)=O)c[nH]1 341111506 XCJZQCPUVJQCLV-TXEJJXNPSA-N 276.384 1.277 0 50 CDAA O=C(O)c1cccc(CN2CCN3CCC[C@H]3C2)c1 244707922 KKBXERGXWWKTHK-AWEZNQCLSA-N 260.337 1.665 0 50 CDAA Cc1cc(O)nc2cc(NC3=CC(=O)NC3)ccc12 524735349 WCGOXKVLUXSPAS-UHFFFAOYSA-N 255.277 1.674 0 50 CDAA C[C@@H](C(=O)O)N(c1ccc(F)c(F)c1)S(C)(=O)=O 242688395 VPGQUTRHNBEKSB-LURJTMIESA-N 279.264 1.204 0 50 CDAA O=C(COC[C@@H]1CCCCO1)NCc1ccsc1 252508454 XNMXXDUFRRXGQM-LBPRGKRZSA-N 269.366 1.950 0 50 CDAA 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292.329 1.716 0 50 CDAA CC[C@H](NC(=O)Cn1ncnn1)c1nc(C)c(C)s1 299799724 ZHJXOEHSDINISH-VIFPVBQESA-N 280.357 1.014 0 50 CDAA O=C(Nc1ccccc1C1CC1)N1CC[C@@](O)(CO)C1 299756807 IYQWSUFLPVFGEP-HNNXBMFYSA-N 276.336 1.525 0 50 CDAA C[C@H](NC(=O)CCS(C)(=O)=O)C1=CCCCC1 827989710 YMLRTHGUNHXNKL-JTQLQIEISA-N 259.371 1.426 0 50 CDAA CN1CCCC[C@H]1CN(C)S(=O)(=O)CC1CCCC1 823777921 SQCQTTSXJQKXLR-AWEZNQCLSA-N 288.457 1.923 0 50 CDAA CCN1C[C@@H](CNc2nc(N)nc(C)c2Cl)CC1=O 823102616 RQLPAKCAZPMYEX-MRVPVSSYSA-N 283.763 1.301 0 50 CDAA Cc1ncc(CN2CCC[C@H](CN3CCOCC3)C2)n1C 668110186 ZEUNJKFPCGRZGG-OAHLLOKOSA-N 292.427 1.273 0 50 CDAA Cc1cnc(CNC(=O)[C@@H]2CC(C(C)C)=NO2)cn1 827792021 WGAQGQGBRAHOFU-LBPRGKRZSA-N 262.313 1.202 0 50 CDAA Cc1cc2c(cc1C(=O)NCc1nonc1C)OCCO2 584899592 TUOBEGNXWHQHTG-UHFFFAOYSA-N 289.291 1.388 0 50 CDAA CCOC(=O)c1cncc(-c2cnc(C(=O)O)nc2)c1 675069985 NSHRHWZCWSILPC-UHFFFAOYSA-N 273.248 1.414 0 50 CDAA CCc1cc(N(C)CC2(C)COC2)nc(N(C)C)n1 670449248 MGWYTUSJNQRRII-UHFFFAOYSA-N 264.373 1.578 0 50 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CCOC(=O)C[C@H](O)CN1CCC[C@H]1c1ccccn1 585123398 BSLBPMXCMNIBHB-JSGCOSHPSA-N 278.352 1.533 0 50 CDAA Cn1ccc(C(=O)NC[C@@H]2CCc3cccnc32)n1 585122594 DYSNGVUBNJIFOA-NSHDSACASA-N 256.309 1.275 0 50 CDAA Cn1ncc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)c1N 189049481 YMMDVBJENNPFBL-KOLCDFICSA-N 280.372 1.183 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1Cc1c(F)cccc1F 643828760 IKPPBDWRGQXOCB-HNNXBMFYSA-N 298.333 1.692 0 50 CDAA COc1ccc(OCCN(C)C(=O)N2CCOCC2)cc1 194466861 CLBGWMLTLYKFPO-UHFFFAOYSA-N 294.351 1.458 0 50 CDAA CCCS(=O)(=O)Nc1n[nH]c2cc(OC)ccc12 195001586 NXYSIKVFYCOKQD-UHFFFAOYSA-N 269.326 1.723 0 50 CDAA Cc1cc(N)nc(SCCCN2CCOCC2)n1 195336058 GROVRLNXHHZKQV-UHFFFAOYSA-N 268.386 1.182 0 50 CDAA C[C@H]1CC(CCS(=O)(=O)C[C@@H](O)CO)C[C@H](C)C1 195537968 LALSSOGZDHJHPZ-WZRBSPASSA-N 278.414 1.217 0 50 CDAA C[C@@H](NCC(C)(C)C(N)=O)c1ccc(S(C)(=O)=O)cc1 195558779 PMUUVJMARYXNTD-SNVBAGLBSA-N 298.408 1.252 0 50 CDAA CC1(C)CN(C(=O)[C@H]2CCOC2)CC2(CCCC2)O1 195574470 HBAZTDWAYKWHJU-LBPRGKRZSA-N 267.369 1.973 0 50 CDAA O=C(c1n[nH]c2c1CCCC2)N1CC[C@H]2CC[C@@H](C1)N2 67741541 IYVGVFPWXLVASR-MNOVXSKESA-N 274.368 1.255 0 50 CDAA Cc1ccnc(N2CCN(c3nccc(C)n3)CC(C)C2)n1 573415706 FVJYQSNIBVGWMC-UHFFFAOYSA-N 298.394 1.846 0 50 CDAA CCN1CCC[C@H](CN(C)C(=O)c2cc(O)ccc2N)C1 1506420583 KHYLTACREILFOL-GFCCVEGCSA-N 291.395 1.778 0 50 CDAA CCc1nn(C)c(NC(=O)[C@H](N)c2ccccc2)c1C 1529189372 NOAOITBSJFLCBF-CYBMUJFWSA-N 272.352 1.929 0 50 CDAA O=C(Nc1cnn2c1NCCC2)c1cnc(C2CC2)nc1 1529197289 NLLYNTSEIDARNC-UHFFFAOYSA-N 284.323 1.618 0 50 CDAA CC(=O)c1cnc(N(C)Cc2ncc(C)[nH]2)nc1C 1704305702 NDLLZAOKXMSIRA-UHFFFAOYSA-N 259.313 1.656 0 50 CDAA CNC[C@H]1CCCN1S(=O)(=O)Cc1cccc(F)c1 237278510 AGEUHFBXQRKJSP-CYBMUJFWSA-N 286.372 1.339 0 50 CDAA CS(=O)(=O)NCCC(=O)Nc1ccc2nscc2c1 1615611720 OZRMVGBMTDNPFP-UHFFFAOYSA-N 299.377 1.174 0 50 CDAA Cc1nc([C@H]2CCCO2)sc1C(=O)N1CCC12COC2 1615620861 KAYSNOKAGQFAGR-SNVBAGLBSA-N 294.376 1.918 0 50 CDAA O=C(C1CCCCC1)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1616074466 CPEVFDVSGMQIKM-ZFWWWQNUSA-N 289.379 1.419 0 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19337288 HLMBIWBYSYUIAU-UHFFFAOYSA-N 282.815 1.883 0 50 CDAA COc1ccccc1-c1noc([C@H](C)n2cncn2)n1 19608582 NURRZXSPBQIHDJ-VIFPVBQESA-N 271.280 1.946 0 50 CDAA CC(C)(C)OC(=O)CC(=O)[C@@H](N)Cc1ccccc1 166040201 KARZVAOLKYDGSV-LBPRGKRZSA-N 263.337 1.857 0 50 CDAA Cn1c(-c2nccn2C[C@@H]2CCC(=O)N2)nc2ccccc21 1875248157 ZXUCKECHKVLBHT-NSHDSACASA-N 295.346 1.715 0 50 CDAA Cn1cc([C@@H]2CN(CCc3ccncc3)C[C@H]2CO)cn1 225534189 QFWYYRUJWFJVKO-HOTGVXAUSA-N 286.379 1.066 0 50 CDAA C[C@@]1(C(N)=O)CCCCN1Cc1cccc2c1CCOC2 639583993 SSYCRAIWVDYWFX-KRWDZBQOSA-N 288.391 1.989 0 50 CDAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](C(=O)O)C1 237016354 SXZGCJGVEFYMLE-PWSUYJOCSA-N 295.310 1.916 0 50 CDAA Cn1nnc2c(C(=O)N3CCCC[C@H]3C(F)F)ccnc21 548880822 UQNWZSPUAWXSLW-VIFPVBQESA-N 295.293 1.623 0 50 CDAA O=C(Cn1cc(C2CC2)cn1)N[C@H]1CCC[C@H]1C(=O)O 659153283 HUOQOJUIOJADFG-NEPJUHHUSA-N 277.324 1.130 0 50 CDAA Cn1nccc1CCNC(=O)[C@H]1CCc2ccccc21 762496587 NBNNFWGSKDIKAC-HNNXBMFYSA-N 269.348 1.809 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCC[C@]1(C)CO 252508117 XDEAYJDZUPUFAD-TZMCWYRMSA-N 265.357 1.236 0 50 CDAA CN1CCN(C(=O)c2ccc(Br)cc2)CC1 19477699 JNOKTDFRPPBDGI-UHFFFAOYSA-N 283.169 1.837 0 50 CDAA in-vitro CC[C@H](COC)NC(=O)N[C@@H]1c2ccccc2C[C@H]1O 265793862 MJHFDUXDUXNNFQ-MRVWCRGKSA-N 278.352 1.369 0 50 CDAA O=C(NCc1ccccc1)c1ccc2[nH]nnc2c1 5286331 LMEZUNCOXQJPMX-UHFFFAOYSA-N 252.277 1.888 0 50 CDAA CO[C@@]1(C)C[C@H]1NC(=O)c1ccccc1CCC(=O)O 909991960 NFGZCAGEJYIIIC-DOMZBBRYSA-N 277.320 1.611 0 50 CDAA Cc1cc(CC(=O)NC[C@H]2CCC3(CCOCC3)O2)on1 832407252 CDZNMURGRHMKOK-GFCCVEGCSA-N 294.351 1.370 0 50 CDAA CCOc1ccc(C(=O)NCCN(C)C)cc1OCC 4785035 CBRGTKDEIBVXOX-UHFFFAOYSA-N 280.368 1.775 0 50 CDAA Cc1cccc(O[C@H](C)C(=O)N2CCOCC2)c1C 13329656 GXCRLBUGQRBQOD-CYBMUJFWSA-N 263.337 1.930 0 50 CDAA c1coc(-c2nnc(CN3CCN4CCC[C@@H]4C3)o2)c1 171638945 MFIGKTJGYDGAPK-LLVKDONJSA-N 274.324 1.610 0 50 CDAA O=C(O)CN1CCC(N[C@@H]2CCCSC2)CC1 534652178 SBCOAWHZPGUMEX-LLVKDONJSA-N 258.387 1.021 0 50 CDAA O=C(COC1CCCCC1)N1CC(F)(F)C[C@H]1CO 366683631 VUWVMWUXCBOVCH-JTQLQIEISA-N 277.311 1.564 0 50 CDAA COCCS(=O)(=O)Nc1ccc(C(=O)O)c(C)c1C 901727932 AQLNNKIAMAWPMJ-UHFFFAOYSA-N 287.337 1.390 0 50 CDAA CCc1cc(=N[C@H](C)C2CCN(C)CC2)[nH]c(C)n1 396454996 MDGMKKUGDPFSAG-LLVKDONJSA-N 262.401 1.912 0 50 CDAA CO[C@H]1[C@H](NC(=O)c2c(C)cnn2C)CC1(C)C 2325791337 PJWLKRBJFITCRN-KOLCDFICSA-N 251.330 1.272 0 50 CDAA COc1cccc([C@@H](O)C(=O)Nc2ccc(CN)cc2)c1 2325865940 VJWAAOZOTWJSOL-OAHLLOKOSA-N 286.331 1.826 0 50 CDAA CCN(CC)C[C@@H](O)COc1ccc(OC)cc1 189893 AFHIPGDASBQREJ-GFCCVEGCSA-N 253.342 1.777 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccccc2)C1 241060 PSTFUXGUJCXCBA-JSGCOSHPSA-N 288.347 1.335 0 50 CDAA CCOC(=O)CCC(C(=O)OCC)C(=O)OCC 1663881 WQBLBTOHMUFYGX-UHFFFAOYSA-N 260.286 1.072 0 50 CDAA COC(=O)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 2025676 XZSBCOVCOZSXKZ-UHFFFAOYSA-N 285.727 1.787 0 50 CDAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 2068243 OYRRYCDONHLKGG-QZHINBJYSA-N 285.299 1.920 0 50 CDAA COCCCNC(=O)C(=O)Nc1ccccc1C 2961421 JJRPFZWLDNSDKL-UHFFFAOYSA-N 250.298 1.086 0 50 CDAA Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2)c1 2966779 CXQKOMHXHBTNBM-OAHLLOKOSA-N 298.342 1.783 0 50 CDAA CN(CCO)CCOCCOc1ccccc1Cl 2975051 FUIIRAARUOOMII-UHFFFAOYSA-N 273.760 1.660 0 50 CDAA Cc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)s1 2998008 LFYXOGJPCWTKNZ-UHFFFAOYSA-N 266.322 1.266 0 50 CDAA COCCN1[C@@H](C)CN(C(=O)[C@H](C)CSC)C[C@H]1C 246266446 ARGYVTNQGMBGOU-UPJWGTAASA-N 288.457 1.553 0 50 CDAA CN(C)c1cccc(-c2nc(N3CCOCC3)n[nH]2)c1 2356168572 JGZJYARVSOMGIK-UHFFFAOYSA-N 273.340 1.374 0 50 CDAA CCCCN(C(=S)SC)[C@@H]1CCS(=O)(=O)C1 4013004 KOILCBJGVGUPAC-SECBINFHSA-N 281.468 1.924 0 50 CDAA COc1ccc(C(=O)OCCCN(C)C)cc1OC 4039160 SLAMQYPBRDESEQ-UHFFFAOYSA-N 267.325 1.812 0 50 CDAA biogenic Nc1nnnn1NCc1ccc(-c2ccc(Cl)cc2)o1 4842967 BBPXTZWERJJMNX-UHFFFAOYSA-N 290.714 1.912 0 50 CDAA Cn1cc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)cn1 225651042 SACCMJAPIPHEBY-CABCVRRESA-N 275.327 1.867 0 50 CDAA C[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)C[C@@H](C)N1 246890963 IYWQTAPYDNFYJV-IOASZLSFSA-N 288.391 1.899 0 50 CDAA CN(C)S(=O)(=O)c1ccc(F)c(Br)c1 115987459 UEIQIHHUAPFUBL-UHFFFAOYSA-N 282.134 1.839 0 50 CDAA CC(=O)N1CCC(N(C)Cc2nc(CC(C)C)no2)CC1 65383028 SNHVRFDOFLXZDS-UHFFFAOYSA-N 294.399 1.711 0 50 CDAA O=C(c1ccnc(O[C@H]2CCOC2)c1)N1C[C@H]2CC[C@H]1C2 248563543 KCBVBHNHRLHYRT-UBHSHLNASA-N 288.347 1.874 0 50 CDAA CN1CCCN(Cc2nc(CCc3ccccc3)n[nH]2)CC1 65506644 HXLPLOPLSOZUQZ-UHFFFAOYSA-N 299.422 1.727 0 50 CDAA CC(=O)N1CCCC[C@@H]1C(=O)NCC1(CO)CCCC1 408082240 YFUASRYXGSZTRB-CYBMUJFWSA-N 282.384 1.056 0 50 CDAA Cc1nnnn1Cc1nc([C@H](C)OCC(C)C)no1 123190714 SQFAMVJWCNWHKX-QMMMGPOBSA-N 266.305 1.146 0 50 CDAA CCc1ccccc1NC(=S)NN1CCOCC1 375133 TZCNSQZVNKDTBU-UHFFFAOYSA-N 265.382 1.783 0 50 CDAA CCC[C@@H](C)C(=O)N[C@@H]1CCO[C@H]1c1cc[nH]n1 628205976 MHQVWBJPAXZEDZ-CKYFFXLPSA-N 251.330 1.792 0 50 CDAA COCC(C)(C)N1CCN(C(=O)c2cccn2C)CC1 424996692 FBAJRPPHLZAQKL-UHFFFAOYSA-N 279.384 1.208 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)N2CC[C@@H](CN)C2)cc1 71416066 ILOYQKLXGMBJBM-ZDUSSCGKSA-N 275.396 1.993 0 50 CDAA O=S1(=O)CC[C@H](N(C/C=C/c2ccncc2)C2CC2)C1 330262221 PSFZIVXRHCMKDD-YLSAJCSVSA-N 292.404 1.746 0 50 CDAA O=C(Nc1nnc2ccccn12)c1cccnc1S 155438143 VQAPAYNKYFHEEC-UHFFFAOYSA-N 271.305 1.665 0 50 CDAA CCCc1nc(CNC(=O)[C@@H]2CSCN2C)cs1 71747897 NJLFEUYNNUSZSE-JTQLQIEISA-N 285.438 1.717 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)CCc2nccs2)C1 261818668 NGPPQTYEWONZND-SECBINFHSA-N 268.338 1.399 0 50 CDAA CC(C)c1nnc(CN2CCC[C@@H](N3CCCC3=O)C2)o1 71749055 ZCGWKCGBXBPZMR-GFCCVEGCSA-N 292.383 1.780 0 50 CDAA COCC1(C(=O)Nc2nc3c(s2)CN(C)CC3)CCC1 284040053 OUVJLJQCLJHAMY-UHFFFAOYSA-N 295.408 1.886 0 50 CDAA O=C(O)CSCCNC(=O)[C@@H]1CCc2ccccc21 262443396 VCJJCOYOMFCSDR-GFCCVEGCSA-N 279.361 1.650 0 50 CDAA COc1cccc(C(F)(F)CNC(=O)/C=C/CN(C)C)n1 493524784 MVXOHNWRCZDZLF-FNORWQNLSA-N 299.321 1.416 0 50 CDAA C[C@@]1(C(=O)O)CCCCN1C(=O)c1c[nH]c(=O)c(Cl)c1 216324702 INCFFTWWYCZSBM-ZDUSSCGKSA-N 298.726 1.498 0 50 CDAA CCCN(CCC)C(=O)CN1CCO[C@@]2(CCO[C@H]2C)C1 375918412 WBLXKBSZISCJIQ-HOCLYGCPSA-N 298.427 1.515 0 50 CDAA CC[C@H]1CN(C(=O)Nc2nccn(C)c2=O)C[C@@H](CC)O1 333863557 QKUZAVCIPITLDU-PHIMTYICSA-N 294.355 1.202 0 50 CDAA CCNC(=O)c1cccnc1N1CC[C@@H](COC)C1 32580841 OCIPCCJWKALFDN-LLVKDONJSA-N 263.341 1.304 0 50 CDAA Cc1nc(N)ncc1C(=O)NCCC12CCCN1CCC2 218878292 XUMUAOJJRISEKS-UHFFFAOYSA-N 289.383 1.116 0 50 CDAA COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]1CO 242047899 VQZJMRYFBFPXJP-STQMWFEESA-N 292.379 1.329 0 50 CDAA Cc1cc(CC(=O)N2CC[C@H](c3cnn(C)c3)C2)n(C)n1 335352898 FEXJVKVUGFCJGR-LBPRGKRZSA-N 287.367 1.021 0 50 CDAA c1ccc(CO[C@H]2CCN(c3ncnc4n[nH]cc34)C2)nc1 340572661 VJCSBPXZHMFSKR-LBPRGKRZSA-N 296.334 1.543 0 50 CDAA Cc1cn2cc(C(=O)N3CC(N4CCCCC4)C3)ccc2n1 82106409 ZTQWJMSDUJWVPG-UHFFFAOYSA-N 298.390 1.953 0 50 CDAA COCCC[C@H]1CCCN(C(=O)CCc2n[nH]c(C)n2)C1 82161169 SCACIOANCCKWNO-CYBMUJFWSA-N 294.399 1.711 0 50 CDAA COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)O)n1 45951676 CUQSHHAJJIBNRC-UHFFFAOYSA-N 278.239 1.143 0 50 CDAA CCCC1(C(=O)O)CCN(C(=O)[C@H]2CCCNC2=O)CC1 426684503 NTKIUMZNINZQKT-NSHDSACASA-N 296.367 1.006 0 50 CDAA O=C(C[C@H]1CCCOC1)NCC(=O)Nc1nccs1 426374130 FUJGNMAFNCOKMB-SECBINFHSA-N 283.353 1.015 0 50 CDAA Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)C)CC2)c1Cl 426517784 FRPWHBKECNABMN-JTQLQIEISA-N 284.791 1.928 0 50 CDAA CCc1ccc(C(=O)N(C)CC2(CO)CCOCC2)[nH]1 220136699 FPXLPSUTQJWDCD-UHFFFAOYSA-N 280.368 1.438 0 50 CDAA O=C(c1ccc(-c2cncnc2)cc1)N1CCOCC1 426465229 PUOVWMQUONSBHM-UHFFFAOYSA-N 269.304 1.616 0 50 CDAA COCc1nc([C@@H]2CCOC2)cc(=NCCCSC)[nH]1 426504080 SRJGPBIQBPUBDF-LLVKDONJSA-N 297.424 1.714 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@H](C2CCC2)C1 292586940 QFAFTEBSKXMIOA-AWEZNQCLSA-N 291.395 1.926 0 50 CDAA COC(=O)c1ccc2ccn(CCCC(N)=O)c(=O)c2c1 95368508 ZNNZGBPXSBHQDT-UHFFFAOYSA-N 288.303 1.054 0 50 CDAA Cc1cc[nH]c1C(=O)N1CCCC[C@H]1c1nnc[nH]1 294449099 RTUVXCYZZRWROU-JTQLQIEISA-N 259.313 1.809 0 50 CDAA O=c1[nH]c2ccc(CCCCCF)cc2[nH]c1=O 91439952 VQMONMAMNQKHNU-UHFFFAOYSA-N 250.273 1.899 0 50 CDAA Cc1cc(=O)c(C(=O)N2CC(C)(C)[C@@](C)(O)C2)c(C)[nH]1 92002070 YEYMFSOGNXBFHD-HNNXBMFYSA-N 278.352 1.225 0 50 CDAA Cc1ncsc1C(=O)NCCc1nc(C(=O)O)cs1 90938856 ZEIGZMYVADYPSQ-UHFFFAOYSA-N 297.361 1.579 0 50 CDAA Cc1ncnc(NCc2ccc3[nH]c(=O)[nH]c3c2)c1C 91594936 RHWZRFUBTDZFGU-UHFFFAOYSA-N 269.308 1.875 0 50 CDAA O=C(C[C@@H]1CCCO1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 245312388 IXRZZWNCVDJBGC-VGWMRTNUSA-N 292.423 1.888 0 50 CDAA CC1=CCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1 244873042 WJCLQDCAUNYKAE-UHFFFAOYSA-N 299.378 1.852 0 50 CDAA Cc1occc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 244811619 SHVUTBODCKUEJB-SCDSUCTJSA-N 289.335 1.564 0 50 CDAA COc1cccc([C@H](C)N2CCC([C@@H](O)C(N)=O)CC2)c1 299751630 RBUKECBLLGBQTI-XHDPSFHLSA-N 292.379 1.314 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2nc(C)cn2C1 253598427 KURUVAIPAONIKP-SDDRHHMPSA-N 263.341 1.048 0 50 CDAA Cc1nn(C[C@H](C)NCCC(=O)O)c(C)c1Cl 534585829 TWCFAQKTQHDNIV-ZETCQYMHSA-N 259.737 1.606 0 50 CDAA CCCn1nccc1NC(=O)c1cccn(C)c1=O 355551058 XIOHWRZVAWZVKW-UHFFFAOYSA-N 260.297 1.244 0 50 CDAA O=C(NC1CCC1)C1(S(=O)(=O)c2ccccc2)CC1 299776319 JQXNCYPBZQFWTG-UHFFFAOYSA-N 279.361 1.662 0 50 CDAA CC[C@@H](C)NC(=O)NCCN=c1cc[nH]cc1C 822635464 NMLIXYLNULKAKB-LLVKDONJSA-N 250.346 1.322 0 50 CDAA Cn1cc(CCS(=O)(=O)Cc2ccccc2)cn1 585136630 NPAROQLAMSWTBM-UHFFFAOYSA-N 264.350 1.578 0 50 CDAA Cc1cnccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N(C)C2 670439277 IVPONOVVBGMTKM-KBPBESRZSA-N 273.380 1.946 0 50 CDAA CCc1nnc([C@H]2CCCN(CCC(=O)N(C)C)[C@H]2C)o1 952852832 XHURNNHUPUZJEA-RYUDHWBXSA-N 294.399 1.678 0 50 CDAA C=CC(=O)NC[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1875369956 SOIXFCVHYJOPST-SDDRHHMPSA-N 296.367 1.313 0 50 CDAA Cc1nc(=NC(=O)C2=NO[C@H](C)C2)[nH]n1-c1ccccc1 1875318726 UKNVSSIOPOXXIV-SECBINFHSA-N 285.307 1.101 0 50 CDAA Cc1cccc(CNCCN2CCCC[C@H]2CO)n1 952976174 MTLLPRYBVVWULZ-HNNXBMFYSA-N 263.385 1.326 0 50 CDAA O=C(O)COCC(=O)N1CCCO[C@H](c2ccccc2)C1 1606273704 LJKMFHYRLNKJRR-ZDUSSCGKSA-N 293.319 1.078 0 50 CDAA C[C@H](CNCc1nc(O)n[nH]1)Cc1ccc2c(c1)OCO2 952990521 QTEBHFOLPPBIAF-VIFPVBQESA-N 290.323 1.207 0 50 CDAA C/C(=C\C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1)c1ccccc1C 886048039 BZUCINFUZWHDFB-OSEPDQNXSA-N 286.375 1.978 0 50 CDAA Cc1cc(CN2CCC[C@@](O)(c3cnn[nH]3)C2)ccc1F 1775961350 UXSFBAGZOXFRNO-HNNXBMFYSA-N 290.342 1.736 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)N(C2CC2)C1 408473700 DSSDWOKOZPIVNP-OCCSQVGLSA-N 280.368 1.228 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CO[C@H](C)C2)cc1C 408485366 HEPSLFRKCMMWBT-NEPJUHHUSA-N 297.376 1.533 0 50 CDAA Cc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)c1 1565525999 HNRIZSITSULJFS-KBPBESRZSA-N 294.420 1.710 0 50 CDAA O=C1NCCN(C[C@@H](O)C(F)(F)F)[C@@H]1c1ccccc1 248401281 ZGPHHIBKRCMYHE-GHMZBOCLSA-N 288.269 1.083 0 50 CDAA C[C@@H]1[C@H](c2ccccc2)CCN1c1cncc(C(N)=O)n1 301573179 MXWHICQHQRVHMO-DGCLKSJQSA-N 282.347 1.958 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1ccc(O)cc1F 135464899 FMCIBBRASNXYIE-CYBMUJFWSA-N 255.289 1.812 0 50 CDAA CN1C[C@H](NC(=O)c2cn(C)cn2)CC[C@@H]1C(F)(F)F 583620023 KBLQTVPMYXYIOE-PSASIEDQSA-N 290.289 1.175 0 50 CDAA C=CC(=O)NC[C@](C)(COCc1ccccc1)OC 702762989 HJLHLUMUYGFKLU-OAHLLOKOSA-N 263.337 1.911 0 50 CDAA Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCC[C@@](C)(O)C1 678055969 GDVHEIFNVXCEQR-LLVKDONJSA-N 291.273 1.724 0 50 CDAA Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C=C1CCC1 276557883 GERCWRQFUURMRI-SWLSCSKDSA-N 275.352 1.724 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NCCOc1ncccc1F 276774130 NNQIYMRLVBBIGO-MNOVXSKESA-N 282.315 1.531 0 50 CDAA Nc1ncnc(N2CCN(Cc3ccco3)CC2)c1Cl 277354206 GNQPUGNVTLZDOW-UHFFFAOYSA-N 293.758 1.627 0 50 CDAA CSC[C@H](C)C(=O)N[C@@H](c1csc(C)n1)[C@@H](C)O 585130273 LZDYWJZOPFAHIM-VAOFZXAKSA-N 288.438 1.989 0 50 CDAA COC[C@](C)(NC(=O)Nc1ccccc1Cl)C(=O)O 170091718 NZFCUCCXOAWKCK-LBPRGKRZSA-N 286.715 1.951 0 50 CDAA CCNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C)o2)C1 170593300 GPXSVMHTMPZVTL-GFCCVEGCSA-N 272.370 1.102 0 50 CDAA CC(C)c1ccc([C@@H](N)CNC(=O)c2cccc[n+]2[O-])cc1 170676872 AJZXXJUFVILEGT-HNNXBMFYSA-N 299.374 1.873 0 50 CDAA C[C@@H]1COCCN1C(=O)c1cccnc1C(F)(F)F 170608805 CBZQARDVDJIOHP-MRVPVSSYSA-N 274.242 1.961 0 50 CDAA CC(C)c1nnc(S)n1CCNC(=O)[C@H]1CCCOC1 170645257 GWSUPHUFMBOPCP-JTQLQIEISA-N 298.412 1.233 0 50 CDAA Cc1cc(F)ccc1CN(C)C[C@](C)(O)C(=O)O 517949560 XSPXAUYHTZPNPT-ZDUSSCGKSA-N 255.289 1.402 0 50 CDAA CO[C@@H]1CCC[C@@H](C(=O)N2Cc3nc(C)nc(O)c3C2)C1 636287247 VTUJMDLQHWUWTR-GHMZBOCLSA-N 291.351 1.538 0 50 CDAA O=C(N[C@H]1CC[C@H](CO)CC1)c1c(F)ccc(O)c1F 685452291 CPBIAPAMIKLFNX-KYZUINATSA-N 285.290 1.951 0 50 CDAA CN1CC[C@@H](NC(=O)c2ccc3ncccc3c2)CC1=O 190139222 OLAGZIQFELXROC-CYBMUJFWSA-N 283.331 1.585 0 50 CDAA Cc1nn(C)c(OCc2nnc([C@@H]3CCCOC3)o2)c1C 643649645 CCHXANINQTUNDY-LLVKDONJSA-N 292.339 1.893 0 50 CDAA CC[C@@H](NCc1cn(C)nc1C(F)(F)F)C(=O)OC 192859920 DOFNNCDCTPBDRC-MRVPVSSYSA-N 279.262 1.480 0 50 CDAA COc1cccc2c1CCN(c1nccn(C)c1=O)CC2 192820431 HBFGHVNLOLPRBU-UHFFFAOYSA-N 285.347 1.394 0 50 CDAA COc1ccc(S(=O)(=O)N[C@H]2CCCC2(C)C)cn1 195339715 KXDMJDPAHVAKTM-NSHDSACASA-N 284.381 1.947 0 50 CDAA Cc1noc([C@H](C)N(C)C(=O)N[C@@H](C)Cn2ccnc2)n1 653480192 ZDKQVJLFNBJHOX-UWVGGRQHSA-N 292.343 1.366 0 50 CDAA CCONC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 198937811 FXLXBBWBIHIESH-UHFFFAOYSA-N 289.335 1.854 0 50 CDAA C[C@@H]1COCCCN1C(=O)NCc1c(C2CC2)cnn1C 661809544 XHAMMFWFDPUJNW-LLVKDONJSA-N 292.383 1.618 0 50 CDAA Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N=c1cc[nH]cc1 665532741 SBIYBUQQOVCMEE-CHWSQXEVSA-N 286.335 1.343 0 50 CDAA COc1ccc(-c2nc([C@H]3CCOC3)no2)cc1O 94067516 DCOJZTNBIVQSAR-VIFPVBQESA-N 262.265 1.955 0 50 CDAA CCNS(=O)(=O)c1cc(OC)c(Cl)cc1OC 528327 CDGJESUWFZJOIP-UHFFFAOYSA-N 279.745 1.655 0 50 CDAA COc1cc(CN2CCC[C@H](O)C2)cc(OC)c1 209238 BCUULGGKAXRXTI-LBPRGKRZSA-N 251.326 1.661 0 50 CDAA Cc1cc2cc(C(=O)N3CC[C@H](N)[C@@H](O)C3)ccc2o1 216652334 ZHRIBLHHFQNRKR-STQMWFEESA-N 274.320 1.275 0 50 CDAA CN(C)c1nccnc1N1CCC(Oc2ccncc2)CC1 1704311859 UQASXKOBRDPVAU-UHFFFAOYSA-N 299.378 1.985 0 50 CDAA C[C@H](Cc1ccc(F)cc1F)NCc1nnn(C)n1 1875285410 MPFIOVKJVYTEDF-MRVPVSSYSA-N 267.283 1.209 0 50 CDAA COc1ncncc1NCc1ncc(Cl)n1C 1616035180 TXYHOQMMNZQFDU-UHFFFAOYSA-N 253.693 1.484 0 50 CDAA COCc1ccc(C(=O)N[C@H]2C[C@@H](N)C23CCC3)cc1F 1615553453 HBDONGLXEYHKHR-KGLIPLIRSA-N 292.354 1.972 0 50 CDAA O=C(NCCCNc1cccnc1)c1onc2ncccc12 1775983072 XJAXZPLIOCGZOZ-UHFFFAOYSA-N 297.318 1.850 0 50 CDAA CCN(CC)c1ncccc1CNC(=O)c1cc(C)[nH]n1 12430925 LWDQOIVLTJCYKK-UHFFFAOYSA-N 287.367 1.889 0 50 CDAA NS(=O)(=O)Nc1ccccc1Br 13830382 IELYYFOWOZJBJR-UHFFFAOYSA-N 251.105 1.065 0 50 CDAA O=C(Nc1cccnc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169700501 MEGKOTWHALFPHX-FSZOTQKASA-N 258.277 1.543 0 50 CDAA CC(C)Cc1nc(C(=O)N[C@H](C)C(=O)O)cs1 156453617 NUUGEBROLJMZNK-SSDOTTSWSA-N 256.327 1.545 0 50 CDAA CN1CCC[C@@H]1Cn1cc(Br)c([N+](=O)[O-])n1 386763301 IVZPTMNJABMONX-SSDOTTSWSA-N 289.133 1.648 0 50 CDAA CC(C)C(=O)N1CCC(N2C[C@H]3C[C@H](O)C[C@H]3C2)CC1 1857703601 OOEOCQGJFFPQCL-NHAGDIPZSA-N 280.412 1.336 0 50 CDAA O=C(O)C[C@@H]1CN(Cc2nc3c(s2)CCCC3)C[C@H]1O 1857719764 TUOSBOUBBHDMTC-MWLCHTKSSA-N 296.392 1.289 0 50 CDAA Cn1nc(-c2ccc([C@@H]3CNC(=O)C3)cc2)ccc1=O 1875245757 PGELYELBIKJKHY-LBPRGKRZSA-N 269.304 1.051 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NCc1ncnn1C(C)(C)C 408469367 GOJSHCUASCASRB-MNOVXSKESA-N 280.372 1.464 0 50 CDAA Cc1noc(C)c1C(=O)N(C)C[C@@H]1CCc2nccn2C1 328619743 GDWNWONBBGKXDH-LBPRGKRZSA-N 288.351 1.823 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(N)=O)nc1 122814349 QRAYARKRHSZHLB-MFKMUULPSA-N 291.351 1.714 0 50 CDAA CO[C@H]1C[C@@H](C(=O)Nc2cnc(C(C)(C)C)nc2)N(C)C1 330530575 OOQNWMBAQGQCQW-RYUDHWBXSA-N 292.383 1.432 0 50 CDAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@H](C(=O)O)C1 236889903 SXZGCJGVEFYMLE-CMPLNLGQSA-N 295.310 1.916 0 50 CDAA C[C@H](NC(=O)c1ccc(C(=O)O)cc1)[C@@H]1CCOC1 132980338 XXHXPIQOTQZVBC-JOYOIKCWSA-N 263.293 1.540 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnsn1 250777933 QHKLZRDNPQJFTP-SFGNSQDASA-N 281.337 1.396 0 50 CDAA CN(C)C/C=C/C(=O)NCCCn1cnc2ccccc21 265632687 NGJSUNSUEPEWJK-WEVVVXLNSA-N 286.379 1.660 0 50 CDAA CN(Cc1ccon1)C(=O)[C@@H]1C[C@H]1C(=O)OC(C)(C)C 592769085 HSGXIXWDZATUEQ-GHMZBOCLSA-N 280.324 1.611 0 50 CDAA O=C(Nc1cnc2[nH]ncc2c1)[C@H]1NCC12CCCC2 1649169952 LYUQVQULLJSMBU-LLVKDONJSA-N 271.324 1.429 0 50 CDAA Cc1ccc(NC(=O)[C@]2(C)CCN(C)C2=O)c(C)n1 934500356 CERAABMNJJCKJF-AWEZNQCLSA-N 261.325 1.505 0 50 CDAA Cc1[nH]nc(CNc2ncnc3onc(C)c23)c1C 1120958559 XEQUKRAZUNYSCQ-UHFFFAOYSA-N 258.285 1.878 0 50 CDAA C[C@H]1CC[C@@H](CN(C)CC(=O)N2CCOCC2)C1 225419189 ZDBNPPBJKKVINT-QWHCGFSZSA-N 254.374 1.213 0 50 CDAA Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2CN)cc1 237600442 FWQJXVGYWZRXBU-STQMWFEESA-N 262.353 1.712 0 50 CDAA COc1cccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c1C 659232372 WZBBPKJRYNVPCS-PHIMTYICSA-N 277.320 1.939 0 50 CDAA Cc1cnc(C(=O)N2CCC[C@H](CC(=O)O)CC2)cn1 299744229 NZYLGTWQFRLHMR-NSHDSACASA-N 277.324 1.502 0 50 CDAA C[C@@H](CC(=O)N1CCC(O)(CO)CC1)c1ccccc1 618244628 ITNPYPQJYJIVHO-ZDUSSCGKSA-N 277.364 1.526 0 50 CDAA COCc1cccc(C(=O)N2CCC[C@]2(C)CO)c1 545409909 HVZCHHOBMTYLBE-OAHLLOKOSA-N 263.337 1.820 0 50 CDAA FC(F)(F)c1nccc(NCCCN2CCOCC2)n1 91547559 DPRUEMRKSBOFBZ-UHFFFAOYSA-N 290.289 1.630 0 50 CDAA Cc1nc(CN2C[C@@H](CC(C)C)CC2=O)n(C)n1 95503650 HFYNXRMDZSOBNU-NSHDSACASA-N 250.346 1.518 0 50 CDAA CCOC(=O)[C@@H]1CNCCN1C(=O)OCc1ccccc1 390768015 JGAOTOPJSAYSPJ-ZDUSSCGKSA-N 292.335 1.160 0 50 CDAA Cc1cncc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1 1355361903 AHGLUWXEXUCHRR-HUUCEWRRSA-N 267.332 1.745 0 50 CDAA C[C@@H]1CCNC[C@H]1NC(=O)c1ccc(-c2cn[nH]c2)cc1 2325768560 YHTZXDXJYQUCLQ-IAQYHMDHSA-N 284.363 1.805 0 50 CDAA C[C@@H]1NC(=S)N([C@H]2CCc3c(F)cccc32)C1=O 887272479 NXUHROBJDAEDAW-CPCISQLKSA-N 264.325 1.918 0 50 CDAA Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCC1 325703 ZXXNDINPSCMZGO-UHFFFAOYSA-N 261.247 1.833 0 50 CDAA O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cccs1 454017 QEZZFGMEBCMCIS-UHFFFAOYSA-N 272.285 1.884 0 50 CDAA CN(c1ccc(C(=O)NC(C)(C)C)cc1)S(C)(=O)=O 479312 FZERHZNCSVSREM-UHFFFAOYSA-N 284.381 1.611 0 50 CDAA Nc1nc(-c2ccco2)nn1C(=O)c1cccnc1 609272 PLNXTIUPFUQRSH-UHFFFAOYSA-N 255.237 1.204 0 50 CDAA CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(C)C2)c1 614144 NPIVKWDWLUWVIF-SNVBAGLBSA-N 262.309 1.502 0 50 CDAA CN[C@H]1CCCN(C(=O)/C=C/c2cncc(F)c2)C1 133597035 FHGZPJYYNHICLM-IHVVCDCBSA-N 263.316 1.444 0 50 CDAA Cc1cccc(C[C@@H]2CC(=O)N(c3ncccn3)C2=O)c1 2216263 VOSULMSUARJZJA-CYBMUJFWSA-N 281.315 1.907 0 50 CDAA O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccn1 4058341 DONKFSQFIKVEAU-UHFFFAOYSA-N 290.344 1.635 0 50 CDAA CN1CCN(NC(=O)c2ccc(Br)cc2)CC1 4996913 XRBZKZHIHABNMP-UHFFFAOYSA-N 298.184 1.341 0 50 CDAA CC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 6727119 PYNDVOACJXJHMI-UHFFFAOYSA-N 251.286 1.180 0 50 CDAA CSc1ccccc1NC(=O)C[C@H]1SC(=N)NC1=O 6731518 KTYQTYCGDQARMF-SECBINFHSA-N 295.389 1.903 0 50 CDAA C[Si](C)(CNC(=O)NC[C@H](O)C1CC1)c1ccccc1 225853224 FXSUWOYIZDAOIY-AWEZNQCLSA-N 292.455 1.211 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)N2CCCCCC2)[C@H]2C=C[C@H]1C2 101391297 BCXDAYVGRBLLJD-CYDGBPFRSA-N 263.337 1.912 0 50 CDAA CC(C)(CNC(=O)c1ccc2c(c1)CCO2)C(=O)O 137458453 DJDWRTULSZTVEB-UHFFFAOYSA-N 263.293 1.462 0 50 CDAA CCc1nnc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 101440081 YYDDBZCNIXZBCU-ZRUAGYDASA-N 275.333 1.412 0 50 CDAA C[C@H]1CN(CC(=O)NCc2ccccc2)C[C@H](C)O1 20572398 RXEVCBLKDZXXRP-STQMWFEESA-N 262.353 1.412 0 50 CDAA CCCn1nc2n(c1=O)C(=O)N(c1cccc(OC)c1)C2 65364290 DILXWJSDDKELDI-UHFFFAOYSA-N 288.307 1.452 0 50 CDAA CCO[C@H](C)c1n[nH]c(=O)n1Cc1cccs1 67459292 UWYIQDRBVFCHHP-MRVPVSSYSA-N 253.327 1.779 0 50 CDAA COCC1(C(=O)N[C@@H]2CN3CCC2CC3)CCC1 65407262 YIWPHURPBYMMOG-GFCCVEGCSA-N 252.358 1.014 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCn1cccn1 250172334 MHEHEZNODZZTBZ-UPJWGTAASA-N 263.341 1.601 0 50 CDAA Cc1oc(-c2ccco2)nc1CN1CC[C@H](O)[C@@H](O)C1 67654736 BBFPKGNEHOISTJ-RYUDHWBXSA-N 278.308 1.171 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(CCCn2nccc2C2CC2)C1 65507670 NAGKBTIGUCVHQI-LLVKDONJSA-N 277.324 1.084 0 50 CDAA CCc1noc(C)c1C(=O)N1[C@H]2CC[C@@H]1CCNC2 65385399 CBYBLGVYLPPGKE-MNOVXSKESA-N 263.341 1.512 0 50 CDAA CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@H]1CCCc2cn[nH]c21 252487125 RZFMDKOEENSBFA-RWMBFGLXSA-N 292.383 1.590 0 50 CDAA COC(=O)[C@H]1CCCN1C(=O)c1cc(CC(C)C)no1 65403977 QKVZBIMLUQEXBI-LLVKDONJSA-N 280.324 1.651 0 50 CDAA O=C(O)Cn1ccc(NC(=O)[C@H]2CC2(Cl)Cl)n1 123049834 NOUVKVRTJQBMDS-RXMQYKEDSA-N 278.095 1.100 0 50 CDAA CCN(CC)C(=O)CN1C[C@H](OC)Cc2ccccc21 282698165 KTOUVNDEJVOZIH-CQSZACIVSA-N 276.380 1.933 0 50 CDAA OC[C@]1(O)CCCN(Cc2cc(-c3ccccn3)no2)C1 72145454 RHNASZOIFOBRHY-HNNXBMFYSA-N 289.335 1.056 0 50 CDAA OC[C@@H](CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccnc1 329484137 QJGLKVQABGNRCV-KLHDSHLOSA-N 288.391 1.705 0 50 CDAA CCCN(C(=O)c1cc(Cl)c[nH]1)[C@@H]1CC(=O)N(C)C1=O 283662489 UTXKQARHPXZVPA-SNVBAGLBSA-N 297.742 1.278 0 50 CDAA Cc1cccn(CC(=O)Nc2ccc(C(=O)O)cc2)c1=O 33509303 IAUDNYNVIAXXDD-UHFFFAOYSA-N 286.287 1.494 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCN[C@H](C)C2)s1 155051194 KZUAHERBLIWACD-CDAZIORVSA-N 251.355 1.285 0 50 CDAA CN(C)[C@@H]1CCCN(Cc2nnc(C3CC3)o2)CC1 72149597 OGBVRSCSYCQUGX-GFCCVEGCSA-N 264.373 1.863 0 50 CDAA Cc1ccc(CC(=O)N2CCCC[C@@H]2[C@H](C)N)cn1 262749560 MCZSCKWEJQOHIS-GXTWGEPZSA-N 261.369 1.661 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H](n2ccnn2)C1 333316141 SVWYWYPJHRZEEO-IGQOVBAYSA-N 290.367 1.399 0 50 CDAA COCC1(NC(=O)[C@H](N)c2ccccc2)CCCC1 71746466 FCJXVWUUUALZBS-CYBMUJFWSA-N 262.353 1.762 0 50 CDAA Cc1nc(N2CCC[C@@H](CCO)CC2)cc2nncn12 333766368 DNBYERLFOPMJSU-GFCCVEGCSA-N 275.356 1.422 0 50 CDAA O=c1[nH]c2c[n+]([O-])ccc2n1CCc1ccccc1 72447062 SEOGKEJGQIRHIW-UHFFFAOYSA-N 255.277 1.206 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(C/C=C/c2ccc(F)cc2)C1 284613578 RBANKKCYTBKZJG-SZZVUECUSA-N 278.327 1.414 0 50 CDAA C=CC(=O)OCCCCOC(=O)c1cc(O)ccc1O 219310755 ZLJOIMZFVJERRB-UHFFFAOYSA-N 280.276 1.764 0 50 CDAA CSc1ccc([C@H](C(=O)O)N2CCOCC2)cc1 37359123 GJPXUCQQPMEEEG-GFCCVEGCSA-N 267.350 1.866 0 50 CDAA CCc1ccc(CCN2CC[C@@](O)(c3c[nH]nn3)C2)cc1 284997438 ZLJWJJIGWYJBPG-INIZCTEOSA-N 286.379 1.503 0 50 CDAA O=C(NCCc1cscn1)[C@@H](O)c1cccc(F)c1 215735705 JHEAFNXDLYLLNI-LBPRGKRZSA-N 280.324 1.675 0 50 CDAA C[C@H](Cn1cncn1)NC(=O)CCC(F)(F)F 79603781 FAZBSLKZGXGTGR-SSDOTTSWSA-N 250.224 1.125 0 50 CDAA CC[C@H](NC(=O)c1cccc(=O)[nH]1)c1ncc(C)[nH]1 215067714 SNUNRHZTVLARFB-VIFPVBQESA-N 260.297 1.288 0 50 CDAA Cc1cc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)on1 285629454 WMDRBESEOPSBBV-UONOGXRCSA-N 293.367 1.085 0 50 CDAA CCS(=O)(=O)CCn1ccc(NC[C@H]2CCC=CO2)n1 241124398 JHZAVSCGTLCSAV-GFCCVEGCSA-N 299.396 1.422 0 50 CDAA C[C@H](CO)N1CCCN(C(=O)c2cc(C3CC3)on2)CC1 242324461 ZBMCMSCCPQEYJU-LLVKDONJSA-N 293.367 1.081 0 50 CDAA c1ccc(CCN2CCN(CC3CCNCC3)CC2)cc1 178978263 SFKGJAGBPWXIAN-UHFFFAOYSA-N 287.451 1.846 0 50 CDAA Cc1nn(C)c(C)c1CNC(=O)c1ocnc1C1CC1 289131094 GIZSYMMBCOZGDX-UHFFFAOYSA-N 274.324 1.832 0 50 CDAA O[C@]12CCCC[C@H]1CN(c1ncnc3nc[nH]c13)CC2 220357541 NQXVGOLUHWKTPK-HZMBPMFUSA-N 273.340 1.484 0 50 CDAA biogenic Cc1cccc(C)c1OC[C@@H](C)NC(=O)N(C)CC(N)=O 426552113 UDELPBUFEWMHSM-GFCCVEGCSA-N 293.367 1.197 0 50 CDAA Cc1nnc(CCNC(=O)c2ccc3nccn3c2)s1 221199630 WECDJMHFOLRARX-UHFFFAOYSA-N 287.348 1.467 0 50 CDAA CC(C)Oc1cccc(C(=O)N[C@H]2CCC(=O)N(C)C2)n1 179109253 GCESPXPFXGMEFU-NSHDSACASA-N 291.351 1.219 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(OC)cc1C 222802527 GWPAETURPXSNDA-HUUCEWRRSA-N 293.363 1.927 0 50 CDAA Cc1nonc1OCCNC(=O)CCc1scnc1C 82098546 QQDSQDJCKOKYOH-UHFFFAOYSA-N 296.352 1.271 0 50 CDAA CCCc1nc(CN(CC)C(=O)[C@H](C)OCC)no1 426707357 FQHRFYFYAZBDKU-JTQLQIEISA-N 269.345 1.796 0 50 CDAA CN(Cc1ccccc1F)C(=O)c1ccc(=O)n(C)c1 194262843 NIQICFHFSCZBDY-UHFFFAOYSA-N 274.295 1.797 0 50 CDAA Cn1ccnc1-c1cccc(C(=O)NC[C@@H]2CCOC2)c1 426640339 CZSQXVLTDACTSM-LBPRGKRZSA-N 285.347 1.853 0 50 CDAA CC(C)CCn1cc(-c2cnn(-c3nnn[nH]3)c2)cn1 96147924 MZSSJICNCDWNLF-UHFFFAOYSA-N 272.316 1.295 0 50 CDAA CCO[C@H](CC)C(=O)N1CCC[C@H](CCC(=O)O)C1 236930978 MROOKPXDPDQQRV-VXGBXAGGSA-N 271.357 1.905 0 50 CDAA NC(=O)C1(NC(=O)c2ncoc2C2CC2)CCCCC1 293732368 GULNOLYURZBKLA-UHFFFAOYSA-N 277.324 1.470 0 50 CDAA CN1CCC[C@H](CCC(=O)NCCNc2cccnc2)C1 91503643 VXEBXCWOTRYIAK-CQSZACIVSA-N 290.411 1.732 0 50 CDAA COC(C)(C)CNC(=O)[C@@H](c1cccc(F)c1)N(C)C 95355569 ACKVWAJTUOMADJ-CYBMUJFWSA-N 282.359 1.970 0 50 CDAA CC(C)(C)OC(=O)N1[C@H]2CC[C@@]1(C(=O)O)CC2=O 146942721 BSTZJNFIHJNFQF-MADCSZMMSA-N 255.270 1.182 0 50 CDAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@H]2CC=CC[C@H]2C1 95353098 JSLFFBOGQSDQQH-BETUJISGSA-N 286.379 1.889 0 50 CDAA CNc1ncc(C(=O)NCCC(=O)Nc2ccccc2)cn1 96159945 BKQZDQAQYLSZMD-UHFFFAOYSA-N 299.334 1.277 0 50 CDAA O=C(O)CN(C(=O)[C@H]1CC(=O)Nc2ccccc21)C1CC1 238080786 NABBBZLQQAMJDE-NSHDSACASA-N 288.303 1.188 0 50 CDAA CN1CCC[C@@]2(CCN(C(=O)Cc3ccsc3)C2)C1=O 91657179 UCEQBBVGBDVOMG-HNNXBMFYSA-N 292.404 1.762 0 50 CDAA CNC(=O)[C@@H]1CCCCN1Cc1cc(C2CC2)on1 240228061 KFODXRXBIBBBOC-LBPRGKRZSA-N 263.341 1.653 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)co1 299741294 DMWYLSAIPHNIDU-RKDXNWHRSA-N 290.241 1.324 0 50 CDAA CO[C@H](C)c1cccc(-c2nc(C(=O)O)nn2C)c1 534667759 RNOFTSYWXIKJSO-MRVPVSSYSA-N 261.281 1.888 0 50 CDAA Cn1ccnc1-c1ccc(N[C@@H]2CC=CC[C@H]2C(N)=O)nn1 534578990 AIJWBBIJWHBDKW-GHMZBOCLSA-N 298.350 1.109 0 50 CDAA CC[C@H]1CCCN(Cc2cnc(NCC(=O)O)nc2)CC1 534663437 GAUBAJCUGYPKBB-LBPRGKRZSA-N 292.383 1.985 0 50 CDAA CC1(C(=O)NC[C@H]2CCN(C(C)(C)C)C2)COC1 534661894 IADSMCIWEAJARE-LLVKDONJSA-N 254.374 1.260 0 50 CDAA C[C@H](NC(=O)Cn1ccnc1)c1nncn1C1CCCC1 299782495 VTJQMPFSCCGNSC-NSHDSACASA-N 288.355 1.467 0 50 CDAA CC(C)Cc1cc(CNC(=O)c2cnc(N)s2)on1 821483341 IXXRCEMXZVDYOS-UHFFFAOYSA-N 280.353 1.842 0 50 CDAA CC[C@@H](C(=O)N1CCC(c2ncon2)CC1)n1cccn1 584898653 NNBHJTSTXJXYAA-LBPRGKRZSA-N 289.339 1.623 0 50 CDAA CCOC(=O)N1CC[C@H](NCc2cc(C3CC3)n[nH]2)C1 584895923 OEIGVMAGPTWDJP-NSHDSACASA-N 278.356 1.608 0 50 CDAA CCc1noc(CCNC(=O)c2ccncc2F)n1 584900357 JGQFJPXXYXPMBD-UHFFFAOYSA-N 264.260 1.139 0 50 CDAA CCOCC(=O)N1CCC(c2ncnn2C(C)(C)C)CC1 670438208 FEIREJKRZRXUTE-UHFFFAOYSA-N 294.399 1.776 0 50 CDAA CN(Cc1cc(-c2ccccn2)no1)S(C)(=O)=O 670467219 KICWXYJJHOSPBW-UHFFFAOYSA-N 267.310 1.128 0 50 CDAA CN1C(=O)[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]2C1=O 670472086 SRPLOUBGRMXKPB-DTORHVGOSA-N 299.252 1.151 0 50 CDAA C[C@H](NC(=O)c1cccn1C1CC1)c1ncnn1C 670439903 RJCPHIBZUOVRPA-VIFPVBQESA-N 259.313 1.443 0 50 CDAA OCc1ccc2c(c1)CN(C[C@H]1CCCCO1)CCO2 670454106 KCMKMDZUNYEQRG-OAHLLOKOSA-N 277.364 1.942 0 50 CDAA COCCn1cnnc1[C@H](C)NC1Cc2ccccc2C1 670474338 YBCTULPGRFFGDJ-LBPRGKRZSA-N 286.379 1.743 0 50 CDAA CC1(NC(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1 1549355646 VMYLKKWHRLABQD-LLVKDONJSA-N 280.372 1.128 0 50 CDAA CCc1nc(CNC(=O)N2C[C@H](N)C3(CCC3)C2)co1 1553494797 WGFOBPXIDWOWBM-NSHDSACASA-N 278.356 1.260 0 50 CDAA C[C@H](NCCN1CCc2ccccc2C1=O)c1ncc[nH]1 952845592 YVSOSSVGZCQVND-LBPRGKRZSA-N 284.363 1.759 0 50 CDAA CC(C)[C@H](NC(=O)c1cnc2[nH]ncc2c1)c1ncon1 952994418 OZSDXLODJKWBLI-JTQLQIEISA-N 286.295 1.468 0 50 CDAA Cc1nocc1S(=O)(=O)NCc1nc2c([nH]1)CCCC2 952992289 DFUAJBHFKDMEJY-UHFFFAOYSA-N 296.352 1.063 0 50 CDAA NC(=O)C1CCC(NC(=O)[C@@H]2CC23CCC(N)CC3)CC1 1875277132 KWISBCQGSXYFGX-PCPABOIYSA-N 293.411 1.054 0 50 CDAA COc1cccc(OCCN2C[C@@H](C)Cn3ncnc32)c1 1875280347 VIIWYQSDWNAIEX-GFCCVEGCSA-N 288.351 1.822 0 50 CDAA CN(Cc1ccc2[nH]ccc2c1)Cc1nc(O)n[nH]1 1875334758 CYNQAKUAFFYVPJ-UHFFFAOYSA-N 257.297 1.624 0 50 CDAA CC[C@H](OC1CCCC1)C(=O)NC/C=C/C(=O)OC 1875333257 LGWREZDQHZQJCO-LZGFCCKTSA-N 269.341 1.570 0 50 CDAA CN1[C@H]2CC[C@H]1CC(O)([C@@H](N)c1ccns1)C2 958527519 BFXWNGXXXORABF-QXEWZRGKSA-N 253.371 1.131 0 50 CDAA COCc1csc(CNC(=O)c2cn(C)nc2OC)c1 883973610 XZERDSBEKRLLLD-UHFFFAOYSA-N 295.364 1.567 0 50 CDAA CCOC1CC(C(=O)N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)C1 888077829 XPAOBJUEZUSDTI-FIYWTHMPSA-N 293.367 1.513 0 50 CDAA C=CC(=O)N1CCN(Cc2nc(C(C)C)no2)CC1 888102397 UYANXNNKPGQMSC-UHFFFAOYSA-N 264.329 1.023 0 50 CDAA Cc1noc([C@H]2OCC[C@H]2CNCc2cn(C)nc2C)n1 1775959138 IXILHYBQQIWCHV-AAEUAGOBSA-N 291.355 1.287 0 50 CDAA CCC[C@]1(CO)CCN(c2ncccc2C(=O)O)C[C@H]1O 1529112923 VPJWBUCNGHIVOZ-IUODEOHRSA-N 294.351 1.130 0 50 CDAA CN[C@@H]1CCCN(C(=O)Cc2csc(C)n2)C1 133868498 GVIWZQUIKLNIGU-SNVBAGLBSA-N 253.371 1.204 0 50 CDAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccncc2)C1 246442886 BMDSSSDLQHDZCX-UONOGXRCSA-N 259.353 1.638 0 50 CDAA c1cnn(C[C@H]2CN(C[C@H]3CCCCO3)CCO2)c1 247254490 UHHYQCDRDCXTBL-ZIAGYGMSSA-N 265.357 1.153 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)c1nc2cc(C)ccc2[nH]1 1565511627 QOCAAQZKKGRJMT-STQMWFEESA-N 289.335 1.405 0 50 CDAA C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)O)C2 1535648136 KWJWZGQVBNAPLC-MWBRBAFOSA-N 271.313 1.533 0 50 CDAA Cc1cc(O)nc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 408036960 YJQRXBJMZYYLJX-LLVKDONJSA-N 287.323 1.581 0 50 CDAA CC(C)[C@H](NC(=O)[C@@H]1CCCCC(=O)N1)C1(CO)CCC1 408524083 XKVUBAQDLIRZPH-JSGCOSHPSA-N 296.411 1.349 0 50 CDAA COCc1noc([C@@H]2CCCN(C(=O)OC)C2)n1 109597612 VOFZOAXZDMNKPB-MRVPVSSYSA-N 255.274 1.162 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)c1ccncc1Cl 276234827 KGFGCFZRTUJMLK-JTQLQIEISA-N 290.754 1.924 0 50 CDAA Cc1nc(CCCC(=O)N2CCCNC(=O)[C@@H]2C)cs1 188886277 UCDPIMWTCHXTFE-JTQLQIEISA-N 295.408 1.511 0 50 CDAA CCc1ccc(CN2CCO[C@H](Cn3ccnn3)C2)nc1 639855402 NJAYYTLQDMXEMI-HNNXBMFYSA-N 287.367 1.137 0 50 CDAA CCCCCOCC(=O)NCc1cncc(OC)c1 585127609 FFVXWOASYPQEBU-UHFFFAOYSA-N 266.341 1.913 0 50 CDAA COc1cccc(CNC(=O)[C@@H]2CCCO[C@H]2C)n1 190791358 MFIVDALKGONUJO-CMPLNLGQSA-N 264.325 1.522 0 50 CDAA O=C(Cn1cc(F)ccc1=O)N1CCc2sccc2C1 190741590 GYIDGRLEYJQLJX-UHFFFAOYSA-N 292.335 1.634 0 50 CDAA CN(C)c1ccc([C@@H]2CCCN2Cc2cc[nH]n2)nn1 643707501 YPVKYBVURVFIMW-ZDUSSCGKSA-N 272.356 1.603 0 50 CDAA CN(C)CC1(NCc2cnc3ccnn3c2)CCC1 685005486 WDVOYCMPBLGECC-UHFFFAOYSA-N 259.357 1.303 0 50 CDAA CCOC[C@H](O)Cn1cnc2c(NC(C)C)ncnc21 193810893 GFXYNPUURUKKFE-SNVBAGLBSA-N 279.344 1.044 0 50 CDAA Cc1cc(CN2[C@@H](C)[C@@H](C(=O)O)CC[C@H]2C)nn1C 659798252 FFAMNNMFARHIAG-CDMKHQONSA-N 265.357 1.802 0 50 CDAA CCc1cncc(C(=O)NCCc2ccc(O)nc2)c1 572496231 GDRYPCFSPCMVHI-UHFFFAOYSA-N 271.320 1.717 0 50 CDAA CN(CCCc1nc2ccccc2[nH]1)C(=O)[C@H]1C[C@H](N)C1 662788312 IMZLPSJEHHNBRQ-HAQNSBGRSA-N 286.379 1.691 0 50 CDAA C[C@@H]1CCCN(C(=O)c2nc[nH]c3nccc2-3)[C@H]1C(=O)O 663058959 RREMIRKLOMEEDW-LDYMZIIASA-N 288.307 1.235 0 50 CDAA Cc1c(NC(=O)[C@H]2CCOC2)c(N2CCCC2)nn1C 1506414220 DLTFQGPCBZTHFP-NSHDSACASA-N 278.356 1.304 0 50 CDAA COc1ccc(NC(=O)/C=C/C(=O)O)cc1OC 97969 OQWBUKRQHAVFLC-AATRIKPKSA-N 251.238 1.283 0 50 CDAA CN(C)C(=O)C[C@H]1CN(Cc2ccccc2Cl)C[C@@H]1O 1857531270 BOCUJKLWBVXCKU-JSGCOSHPSA-N 296.798 1.611 0 50 CDAA Cc1nc(CNC(=O)[C@@H]2CCCNCC2)n(C)c1C 1857704600 YXQAPQQWSDPHHD-GFCCVEGCSA-N 264.373 1.043 0 50 CDAA CCN1CCC(N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1704348271 DXIJKUGESOPUER-NVXWUHKLSA-N 289.423 1.713 0 50 CDAA CC(C)(NC(=O)NC[C@@]1(C)CCCO1)[C@H](O)C(F)(F)F 1615055449 BSTOCQYNMHFGKZ-GZMMTYOYSA-N 298.305 1.557 0 50 CDAA C=C=CCNS(=O)(=O)[C@@H]1CCc2ccccc2[C@H]1OC 1615996604 MSLAYIUFBVSLAJ-HUUCEWRRSA-N 293.388 1.949 0 50 CDAA Cc1cnn(C)c1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615550924 NDZNUVCDBXZVPX-CHWSQXEVSA-N 270.336 1.083 0 50 CDAA COc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 7071615 LEWXSPOPTIYPIR-UHFFFAOYSA-N 276.292 1.173 0 50 CDAA Cc1nnsc1C(=O)N(C)CC[C@@H]1CCCO1 331001102 WTEMZPXETWJTLY-VIFPVBQESA-N 255.343 1.488 0 50 CDAA COCc1nc(OC)cc(N2C[C@H](C)[C@@](C)(CO)C2)n1 664594907 DKUKLCINBIFORV-IINYFYTJSA-N 281.356 1.086 0 50 CDAA CN(C(=O)c1cccs1)[C@@]1(C)CCS(=O)(=O)C1 5014297 PHHCUJPKGOSLCU-NSHDSACASA-N 273.379 1.397 0 50 CDAA NC(=O)Cc1ccc(I)cc1 27706633 RKJMVTJNBPMLGH-UHFFFAOYSA-N 261.062 1.319 0 50 CDAA CC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C 12379734 XSCFPSFTTMXKHG-UHFFFAOYSA-N 288.351 1.364 0 50 CDAA O=C(NCc1ccco1)c1cccc(-n2cnnn2)c1 12808979 WQKZJHYGETUJLZ-UHFFFAOYSA-N 269.264 1.185 0 50 CDAA COc1ccccc1-n1c(NN)nc2ccccc2c1=O 15424510 KOHCQLVTSJJKOQ-UHFFFAOYSA-N 282.303 1.680 0 50 CDAA CCN1CCN(C[C@@H](O)COc2ccc(C)cc2C)CC1 19367642 ZMXRQPYWTHNBTE-MRXNPFEDSA-N 292.423 1.681 0 50 CDAA Cc1cc(C)n([C@H]2CCN(C(=O)Cc3cc[nH]n3)C2)n1 1857688585 RNYQEKZSAKOADI-ZDUSSCGKSA-N 273.340 1.239 0 50 CDAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)CCCn1cccn1 1857700904 BIJIDTAWUGKNLZ-LZWOXQAQSA-N 291.395 1.815 0 50 CDAA CO[C@H]1COC[C@H]1n1ccnc1-c1cccc2ccnn12 1857733517 MYZFEPIXALNDBF-KGLIPLIRSA-N 284.319 1.784 0 50 CDAA Cc1cc(CN2C(=O)[C@]3(CCNC3)c3ccccc32)on1 1875250380 UFUHAXLBWBXLMK-INIZCTEOSA-N 283.331 1.761 0 50 CDAA CN(C[C@@H]1CCC[C@@H]1O)c1cc(NCC2CC2)ncn1 301826361 MYFHKUDCAKPLNG-STQMWFEESA-N 276.384 1.896 0 50 CDAA CC[C@@H]1C(=O)N(CC)CCN1C(=O)[C@@H](O)C1CCCCC1 408416900 PFPGWGLCOHTVCA-KGLIPLIRSA-N 296.411 1.397 0 50 CDAA CC[C@]1(C)CN(C(=O)N[C@H]2CC[C@H](N(C)C)C2)CCO1 225504049 UHLHHHMWKJLOOF-KCQAQPDRSA-N 283.416 1.680 0 50 CDAA Cc1noc([C@H]2COCCN2C(=O)c2ccc(C)n2C)n1 121138415 JWPVNPVWZSKFJO-GFCCVEGCSA-N 290.323 1.239 0 50 CDAA Cc1cc(=NC(=O)N(C)C[C@@H]2CCc3nccn3C2)cc[nH]1 328621801 HYRYDJUJFYACBX-ZDUSSCGKSA-N 299.378 1.735 0 50 CDAA C[C@@H](NC(=N)O)C(=O)N1CCC[C@H]1c1cccnc1 330567002 AZXAYPAAJIEWGG-KOLCDFICSA-N 262.313 1.216 0 50 CDAA Cc1noc(-c2ccccc2C(=O)N[C@@H]2CCNC2)n1 127156012 SEUGRGZZAKJRFZ-SNVBAGLBSA-N 272.308 1.137 0 50 CDAA Cc1csc(S(=O)(=O)N2CC[C@@H](n3cccn3)C2)c1 333691976 MOXIGKYNJZJJCM-LLVKDONJSA-N 297.405 1.889 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](O)CO2 16697190 HCDWHGFENXBNSC-JTQLQIEISA-N 257.330 1.537 0 50 CDAA in-vitro CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1ccccc1 146771602 CTFYHNRRPGOYJS-LBPRGKRZSA-N 294.351 1.188 0 50 CDAA COc1ccc(CCNC(=O)C2(C(=O)O)CC2)c(Cl)c1 154985841 GUKWSHJUUWLIPQ-UHFFFAOYSA-N 297.738 1.872 0 50 CDAA CCN1CCN(C(=O)C(C)(C)F)C[C@H]1c1ncc[nH]1 583621739 DXLGMXHPCVFAOI-JTQLQIEISA-N 268.336 1.363 0 50 CDAA Cc1c(C(=O)NCCCCO)oc(=O)c2ccccc12 585090926 AVXZNVBQKKVHHJ-UHFFFAOYSA-N 275.304 1.604 0 50 CDAA Cc1cccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)n1 263077136 YVPREZOQSHQMCR-GFCCVEGCSA-N 292.335 1.247 0 50 CDAA C[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2cnn(C)c2)ns1 900798574 RJFXEESCTJOHJX-CBAPKCEASA-N 293.352 1.302 0 50 CDAA C[C@H](Nc1ccc2ccn(C)c(=O)c2c1)c1cn(C)nn1 902984063 HOMZYTODOVWWBN-JTQLQIEISA-N 283.335 1.840 0 50 CDAA Cc1ncsc1CN1CCCC[C@@H]1CS(N)(=O)=O 931231778 SYCIRFTZJMVVFF-SNVBAGLBSA-N 289.426 1.095 0 50 CDAA C[C@@H]1CCc2nc(C(=O)NCc3cncn3C)cn2C1 857955105 ULVBCEXVUPSJHM-SNVBAGLBSA-N 273.340 1.129 0 50 CDAA C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(C(=O)O)o1 237635321 ZRWPFEUAEQETLT-OCAPTIKFSA-N 253.254 1.227 0 50 CDAA CC(C)c1ncc(Cl)c(C(=O)NC2(C(=O)O)CCC2)n1 164849209 OCGMJEFONXGZHT-UHFFFAOYSA-N 297.742 1.991 0 50 CDAA CN[C@@H]1CCCN(C(=O)COc2ccc(F)cc2F)C1 178597396 MTOBTABQYXPPGM-LLVKDONJSA-N 284.306 1.554 0 50 CDAA COc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)c(F)c1 659228446 MUICVZDOMPAEFE-DTORHVGOSA-N 281.283 1.770 0 50 CDAA CS(=O)(=O)N1CC[C@H](Nc2ncnc3sccc23)C1 400255058 FELBWRJTAQHCLI-QMMMGPOBSA-N 298.393 1.137 0 50 CDAA OCC[C@@H]1CCCN(c2ncnc3[nH]ccc23)CC1 420643438 QRGMLVLPCJBLSZ-LLVKDONJSA-N 260.341 1.947 0 50 CDAA Cc1cc(C(=O)N2CCC[C@](O)(C(=N)O)C2)co1 334178239 AEHZNFSPWWOYPL-GFCCVEGCSA-N 252.270 1.090 0 50 CDAA Cn1cnc2cnc(-c3ccc([C@@H]4CNC(=O)C4)cc3)nc21 2100483698 LRXICADYOUXZTP-LBPRGKRZSA-N 293.330 1.634 0 50 CDAA COCc1nc(-c2cc(CO)ccc2F)nn1C 2100545028 OCRWMAAVFPQADT-UHFFFAOYSA-N 251.261 1.260 0 50 CDAA CCc1nc(CCN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)no1 333349407 VLIQOYNATGVNSG-BIMULSAOSA-N 265.357 1.578 0 50 CDAA CN(C)C(=O)c1cnc(NCC2(C(=O)O)CC2)c(Cl)c1 2325777261 PRSKVMNQAXPDAP-UHFFFAOYSA-N 297.742 1.714 0 50 CDAA O=C(NC[C@H]1C[C@H](n2cccn2)C1)C(=O)c1ccc(O)cc1 2325804172 YQDQFCBUFDKRQU-AULYBMBSSA-N 299.330 1.539 0 50 CDAA O=C(NCC[C@H]1CCCNC1)c1[nH]nc2ccccc12 110791942 ZEXFOPQWCBWWAJ-LLVKDONJSA-N 272.352 1.682 0 50 CDAA COC(=O)C[C@H](C)C(=O)NCCc1ccc(C)cc1 133980164 DNTMHJUQTBTUOU-LBPRGKRZSA-N 263.337 1.853 0 50 CDAA C[C@H]1CN(c2nnnn2-c2ccccc2)C[C@H](C)O1 102175 WFWCVRYBUMNICH-QWRGUYRKSA-N 259.313 1.276 0 50 CDAA COc1ccc(C2(CN)CCOCC2)cc1OC 295384 XKGLKVXUDBRVKN-UHFFFAOYSA-N 251.326 1.711 0 50 CDAA Cc1cc(C)cc(-n2nnc(C(=O)NC(C)C)c2N)c1 424350 CSYNBLMVTVAVPY-UHFFFAOYSA-N 273.340 1.605 0 50 CDAA COc1ccc(Cl)cc1NC(=O)Nn1cnnc1 610761 YRTZUOPCTIMFHZ-UHFFFAOYSA-N 267.676 1.716 0 50 CDAA O=C1NC(=O)[C@@H](c2ccc(Br)cc2)N1 1067394 JMRHMDVCJFYNGR-SSDOTTSWSA-N 255.071 1.330 0 50 CDAA COC[C@@H](O)c1ccc(OC[C@H](O)CNC(C)C)cc1 2570883 OFRYBPCSEMMZHR-UKRRQHHQSA-N 283.368 1.104 0 50 CDAA world O=C(CCCCNS(=O)(=O)c1ccccc1)NC1CC1 2812340 ILRIAMUXFSXFSN-UHFFFAOYSA-N 296.392 1.414 0 50 CDAA C=COCCNC(=O)C(=O)Nc1cc(C)ccc1C 2995364 IDSVWDSUPPNZSL-UHFFFAOYSA-N 262.309 1.518 0 50 CDAA Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 3888195 RQIUXSOALNIUDT-UHFFFAOYSA-N 257.311 1.380 0 50 CDAA O=C(O)c1cc(O)ccc1NC(=O)[C@H]1CCCO1 4454417 ZSAPGTYWLKVNEO-SNVBAGLBSA-N 251.238 1.208 0 50 CDAA Cc1cccc(-c2nnn(CC(=O)NC3CCCC3)n2)c1 4936805 YAYAGSHIKSGDDS-UHFFFAOYSA-N 285.351 1.707 0 50 CDAA O=C(Cc1ncccc1F)N1CCC[C@@H](CCO)CC1 422070301 JFYPKYNTUAAVPV-GFCCVEGCSA-N 280.343 1.774 0 50 CDAA Fc1ccc(N2CCCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)cc1 102003340 ATVTVYLBDOOYQN-FVQHAEBGSA-N 289.398 1.803 0 50 CDAA C[C@@H]1OCCN(CCCN2CCO[C@H](C)[C@H]2C)[C@@H]1C 247345915 XVCHFYDJCOZHCD-TUVASFSCSA-N 270.417 1.595 0 50 CDAA O[C@@H]1CCCN(C2CCN(CCCn3ccnc3)CC2)C1 1506400618 FHVOBUZMMVUBJB-MRXNPFEDSA-N 292.427 1.194 0 50 CDAA Cc1noc(C)c1CC(=O)N[C@H]1CCN2CCCC[C@@H]12 229384365 VHIBTMXIXUQDCL-KBPBESRZSA-N 277.368 1.577 0 50 CDAA CCN(C(=O)c1cc2ccccc2cc1O)[C@@H]1CCNC1=O 281663100 CAVQJLDBKZYSMJ-CQSZACIVSA-N 298.342 1.896 0 50 CDAA CCn1ncc2c1NC(=O)C[C@@H]2c1nccn1CCOC 65409435 JGVVFVGGKWLKJV-JTQLQIEISA-N 289.339 1.220 0 50 CDAA OC[C@@H]1CCCN1C[C@H]1CCCN1c1ncc(Cl)cn1 252476873 CWOLRFWBQSVZCT-OLZOCXBDSA-N 296.802 1.556 0 50 CDAA C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1C(=O)NN1CCCCC1 252515511 KUBZSGBRLLRUPQ-MCIONIFRSA-N 293.411 1.541 0 50 CDAA CSc1ncc(CN(C)Cc2snnc2C)cn1 219614992 YIGNBBFWKRILBR-UHFFFAOYSA-N 281.410 1.990 0 50 CDAA CSc1ccccc1C(=O)NCCc1ncnn1C 219956417 GXVORIYOCFEAQX-UHFFFAOYSA-N 276.365 1.510 0 50 CDAA O=C(Nc1cccc(OCCF)c1)[C@H]1CCCN1 151515391 GZDZXIIGVYWQKD-GFCCVEGCSA-N 252.289 1.725 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N1CCOC[C@H]1C(=O)O 235746557 IIKGDIILOKEIAL-NSHDSACASA-N 283.711 1.574 0 50 CDAA CN(Cc1cnn(C)c1)C(=O)[C@@H]1COc2ccccc2C1 73471084 NBUKBWMZUWANTC-AWEZNQCLSA-N 285.347 1.630 0 50 CDAA CCN1CCC[C@@H](NC(=O)c2cccc(CO)c2)C1 362808568 KTGJPWTXIFDRNQ-CQSZACIVSA-N 262.353 1.393 0 50 CDAA O=C(CCc1nc[nH]n1)N1CCOC[C@@H]1c1ccccc1 363354678 AQNYGIVEMUALII-CYBMUJFWSA-N 286.335 1.337 0 50 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0 50 CDAA Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)cs1 96131401 PIGCATFPTLRXKL-WDEREUQCSA-N 265.382 1.618 0 50 CDAA COCC(=O)N1CCC(c2nc(CSC)no2)CC1 96152374 IONFOXJGZAISQB-UHFFFAOYSA-N 285.369 1.285 0 50 CDAA CCc1ccnc(C(=O)N2CCN(c3cnccn3)CC2)c1 180746235 MORKWHKOVYLGQR-UHFFFAOYSA-N 297.362 1.396 0 50 CDAA CC[C@@H](CNc1nc(N)nc(C)c1C)N(C)CC 91551310 NSFWOMHZPJMLMJ-NSHDSACASA-N 251.378 1.818 0 50 CDAA Nc1cc(N2CCC(CCn3cccn3)CC2)ncn1 96152999 FPJZFTRYYMPZIJ-UHFFFAOYSA-N 272.356 1.562 0 50 CDAA O=C(NS(=O)(=O)c1ccc2c(c1)COC2)C1CC=CC1 181302675 UYYDDCPIZSTTDZ-UHFFFAOYSA-N 293.344 1.488 0 50 CDAA CN1CCC[C@@H](CCC(=O)NCCn2cc(Cl)cn2)C1 95373842 ZLZURVRMVLFXEI-LBPRGKRZSA-N 298.818 1.775 0 50 CDAA CC[C@@H](NC(=O)CCc1cccn1C)[C@H]1C[C@H](O)C1 244873272 WNCQQWSDWOYGMA-MRVWCRGKSA-N 264.369 1.623 0 50 CDAA CNc1nnc(CC(=O)N2C[C@H]3CCCC[C@H]3C2)s1 183600708 FKSUPFCAITVPQX-AOOOYVTPSA-N 280.397 1.771 0 50 CDAA NC(=O)[C@@H]1CN(CC2CCOCC2)C[C@H]1C(F)(F)F 299746257 WDHXZEJICKIXTG-NXEZZACHSA-N 280.290 1.009 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1oc(C)nc1C 534632460 MLKHFMRDRJQZMR-SECBINFHSA-N 277.328 1.784 0 50 CDAA CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](O)CC)CC2 110618679 OEOHHUKMKDUVPJ-JHJVBQTASA-N 257.374 1.009 0 50 CDAA Cc1cc(CC(=O)N2CCn3cccc3[C@@H]2C)on1 557481739 SYPCWJJBYLDSAE-NSHDSACASA-N 259.309 1.930 0 50 CDAA CCO[C@@H](C)C(=O)NCCCOc1ccccc1 298451161 LFKFBLGCBXFKCO-LBPRGKRZSA-N 251.326 1.997 0 50 CDAA CCNC(=O)c1c(OC)cc(=O)n2c1CCCCC2 643253446 JXPYKPVSZZWWNC-UHFFFAOYSA-N 264.325 1.333 0 50 CDAA C[C@@H](NC(=O)Cc1nc2ccccc2o1)c1nncn1C 827999844 XEQXMZMWVDUIRL-SECBINFHSA-N 285.307 1.376 0 50 CDAA O=C([C@H](c1ccc(F)cc1)N1CCCCC1)N1CC(O)C1 828636875 MYQINFGETVQCJQ-HNNXBMFYSA-N 292.354 1.556 0 50 CDAA CCOC(=O)CC1(NC2(CC(=O)OCC)CC2)CC1 498050808 FFRMGHFUVGAIBZ-UHFFFAOYSA-N 269.341 1.548 0 50 CDAA O=c1c2cnccc2ncn1[C@H](CO)c1ccc(F)cc1 584889628 JROIXTFKLQBRRR-CQSZACIVSA-N 285.278 1.512 0 50 CDAA CC(C)c1noc(CNC(=O)CCc2cn[nH]c2)n1 584886095 ZITMRDMCDMKEHZ-UHFFFAOYSA-N 263.301 1.165 0 50 CDAA CN1CC[C@@H](C(=O)N(C)CCC2(O)CCCC2)C1 584899684 JHPKHAPMWXQRDA-GFCCVEGCSA-N 254.374 1.092 0 50 CDAA Cc1ncn(CCNC(=O)CCCn2cccn2)c1C 670439034 JITOIAQEAYVEDT-UHFFFAOYSA-N 275.356 1.293 0 50 CDAA CCCN1CCC[C@@H](C(=O)N(C)CC(=O)OCC)C1 685944966 LLJPAGKTXDPXRQ-GFCCVEGCSA-N 270.373 1.130 0 50 CDAA CCc1ncnc(N2CCN(c3ncccn3)CC2)c1F 270485703 BTGCSTHBVHICKF-UHFFFAOYSA-N 288.330 1.295 0 50 CDAA Cc1ncoc1C(=O)N[C@@H](C(=O)NC1CCCC1)C(C)C 1875261951 UUIPULOGTWYWDA-GFCCVEGCSA-N 293.367 1.796 0 50 CDAA C[C@@H](C(=O)N1CCC(c2nnc(O)o2)CC1)n1cccc1 1875255480 JNRVBMBXBYOOOP-JTQLQIEISA-N 290.323 1.544 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCC3CC3)n[nH]c21 1875293381 NVARDCFNTOQIMO-BDAKNGLRSA-N 263.341 1.962 0 50 CDAA O=C(N[C@H]1CC[C@@H](O)C1)c1nccc2cccnc12 1875271735 OFHUUSNAFLMMLZ-WDEREUQCSA-N 257.293 1.273 0 50 CDAA Cc1ncc(Cl)c(C(=O)N2CC[C@@H](C)[C@H]2C(=O)O)n1 1875277354 HDVUFFMLHIZABP-LDWIPMOCSA-N 283.715 1.374 0 50 CDAA C[C@@H](CN1CCCCC1)N(C=O)Cc1ccc(O)nc1 1875325317 LSLXETRRPMXHRX-ZDUSSCGKSA-N 277.368 1.620 0 50 CDAA CN(C)C/C=C/C(=O)NCc1ccnc2c1CCCC2 1875377068 RFKMXWKUPAQQMY-VMPITWQZSA-N 273.380 1.694 0 50 CDAA COC(=O)/C=C/CNC(=O)COCc1ccc(C)cc1 1875333220 JHLKJIADGCSNGN-ONEGZZNKSA-N 277.320 1.357 0 50 CDAA C[C@](Cc1ccccc1F)(C(=O)O)n1nnc(C2CC2)n1 1875303492 AMRPZUUYGFQWSR-AWEZNQCLSA-N 290.298 1.732 0 50 CDAA COC(=O)c1cncc(CNc2cnc(F)cn2)c1 1875316878 GMMHPBBOZIGGAX-UHFFFAOYSA-N 262.244 1.409 0 50 CDAA Cc1occc1CN[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875400290 WBQHKTMLYVVKIT-NWANDNLSSA-N 275.352 1.714 0 50 CDAA Cc1nccn1Cc1ccccc1NC(=O)[C@H](C)N 952979740 ILHKJEXTYNEGIG-JTQLQIEISA-N 258.325 1.526 0 50 CDAA Nc1ccc([C@H]2CCCN2c2ncc(Cl)cn2)nn1 886086587 XDIPMQLZEXZLSM-SNVBAGLBSA-N 276.731 1.844 0 50 CDAA COCc1nccc(N2CCCC[C@H](S(C)(=O)=O)C2)n1 893525475 BFGXIWVZMLUELW-NSHDSACASA-N 299.396 1.027 0 50 CDAA CCC[C@H]1CN(c2ncnc3c2ncn3C2CC2)CCN1 895059000 QDXQUZLAAIDDBY-NSHDSACASA-N 286.383 1.740 0 50 CDAA O=C(c1ccc(O)cn1)N1CCC(c2ccncn2)CC1 1362737227 LBVIVHBKENWJJC-UHFFFAOYSA-N 284.319 1.597 0 50 CDAA CC(C)(C)OC(=O)N1CCn2cc(C=O)nc2C1 91304254 YBIAJWQTOPJNPJ-UHFFFAOYSA-N 251.286 1.446 0 50 CDAA in-vitro Cc1cnc(C(=O)NCCc2c(C)nn(C)c2C)o1 170039208 PCCBSWMCHWKLOA-UHFFFAOYSA-N 262.313 1.306 0 50 CDAA Cc1cc(C)c(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1 408407454 LPMRPQSPHCVSKA-LLVKDONJSA-N 297.380 1.315 0 50 CDAA CC(C)Cc1nsc(N2CCc3c(O)ncnc3C2)n1 408514115 CKWSQFAEYKYCRE-UHFFFAOYSA-N 291.380 1.795 0 50 CDAA Cc1nccnc1C(=O)NC[C@H](C)CN1CCCCC1 666850707 CWKNSAWFXIRJBB-LBPRGKRZSA-N 276.384 1.637 0 50 CDAA CO[C@](C)(C(=O)N1CC[C@H](C(=O)O)C1)c1ccccc1F 668279592 DEIOWKNVVASHMB-BONVTDFDSA-N 295.310 1.620 0 50 CDAA Cc1nccc(C(=O)N[C@]2(C(=O)O)CCc3ccccc32)n1 675988352 HHDNPLQLLHLJGG-MRXNPFEDSA-N 297.314 1.441 0 50 CDAA C/C(=C\C(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1F 584908043 VIGXCIMJRXFMRF-FROQITRMSA-N 293.294 1.541 0 50 CDAA Cc1ccc(CCC(=O)N2CC[C@H](CO)[C@H](O)C2)c(C)c1 191994338 QNLSMIORGPEELM-HZPDHXFCSA-N 291.391 1.438 0 50 CDAA C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CN(C)CCN1C 585125864 HOLGHOALDMQNTA-UVPYHEFZSA-N 293.455 1.563 0 50 CDAA CC1=CC[C@H]2CN(Cc3cc(O)nc(O)n3)C[C@H]2C1 1073309668 ODAUEWWOCMJGLB-WDEREUQCSA-N 261.325 1.676 0 50 CDAA O=C(O)C1(NS(=O)(=O)c2ccns2)CCCCC1 717798086 CEPSKOPQXJIBTH-UHFFFAOYSA-N 290.366 1.209 0 50 CDAA OCCN(CC[C@@H]1CCOC1)Cc1cccs1 1506419146 YMZKHSJCONWIGI-GFCCVEGCSA-N 255.383 1.969 0 50 CDAA CCCn1nc(C)c(NC(=O)[C@H](C)N2CCCC2=O)c1C 1529107072 WAPLAQGRKVTHNY-LBPRGKRZSA-N 292.383 1.859 0 50 CDAA C[C@H](NC(=O)Cn1nc2ccccc2n1)C(F)(F)F 1857699108 IAUGPPNXAJPIIZ-ZETCQYMHSA-N 272.230 1.498 0 50 CDAA CC(C)n1nc2n(c1=O)C(=O)N(c1ccccc1)C2 1547201139 LYANOTDQHAYHQZ-UHFFFAOYSA-N 258.281 1.614 0 50 CDAA CON(C)C(=O)[C@@H](C)NC(=O)OCc1ccccc1 1634792 JJWLCBIYQXRMNO-SNVBAGLBSA-N 266.297 1.321 0 50 CDAA in-vitro CC[C@@H](O)CNC(=O)Cc1c(F)cccc1Cl 125783984 ZZEWZRZBMZBNIA-MRVPVSSYSA-N 259.708 1.909 0 50 CDAA CCC1(CC)[C@H](NC(=O)[C@H]2CSCN2)C[C@H]1OC 236636099 RPSLWYAPEUOTSM-GMTAPVOTSA-N 272.414 1.359 0 50 CDAA Cc1nccn1CCCN(C)C(=O)C1CCNCC1 237130254 QPACTIQSPSUJGO-UHFFFAOYSA-N 264.373 1.040 0 50 CDAA Cc1cc(N2CCN(c3ncns3)CC2)nc(C)n1 134740396 QLWGBRASWYWJBL-UHFFFAOYSA-N 276.369 1.272 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC(=O)O)CC1 668268409 PCXFBCCLIFJJAJ-CMPLNLGQSA-N 269.341 1.515 0 50 CDAA COc1cc(CSc2nc3cncnc3[nH]2)on1 1613723707 YMJIIAAFJYGBCQ-UHFFFAOYSA-N 263.282 1.642 0 50 CDAA CCn1ccc(C(=O)N2CCC(C3(O)CC3)CC2)cc1=O 1772805805 SQAAWTYCAWEFLR-UHFFFAOYSA-N 290.363 1.245 0 50 CDAA CC[C@H](C(=O)O)N1CCO[C@H](Cc2ccccc2)C1 164759831 OBMGGKGTIIYYQU-ZIAGYGMSSA-N 263.337 1.793 0 50 CDAA CCn1ccc(C(=O)NCc2[nH]nc3ncccc23)cc1=O 1772810386 LROXDFLVIPXVLX-UHFFFAOYSA-N 297.318 1.070 0 50 CDAA O=C(CCCOCc1ccccc1)N1CC[C@@H]2CNC[C@@H]21 222507057 NFYNZDATWDURSO-CVEARBPZSA-N 288.391 1.804 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2nccc(N)n2)CC1 16677892 KVQHCKUTCGHMBO-UHFFFAOYSA-N 279.344 1.116 0 50 CDAA COc1ccc(CCN2C(=O)C[C@H]3NCC[C@H]32)c(OC)c1 1857699332 RUJMTGHOLRFVDT-ZIAGYGMSSA-N 290.363 1.209 0 50 CDAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccc(F)cc1)C2 1857669078 JSBUIUNMBDXSGL-SWLSCSKDSA-N 279.311 1.749 0 50 CDAA C[C@H](C(N)=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857697741 KQPHQSHQMZXTOH-GFCCVEGCSA-N 298.390 1.362 0 50 CDAA COc1ccccc1OCCN(C)c1n[nH]c(=N)s1 1857700510 ITKVHTWTIQVCHD-UHFFFAOYSA-N 280.353 1.474 0 50 CDAA Cc1ncccc1CNC(=O)NC[C@@H]1CCN(C)C(=O)C1 528023858 BZGSHJJOQICKAH-GFCCVEGCSA-N 290.367 1.058 0 50 CDAA CCc1n[nH]cc1C(=O)N[C@H]1CCc2[nH]c(=N)sc2C1 652068666 KQKGAVHFDLNDGL-ZETCQYMHSA-N 291.380 1.128 0 50 CDAA O=C(c1ccc2cc[nH]c2c1)N1CCC(OCCO)CC1 129243505 LBKDWWZWMLFUAD-UHFFFAOYSA-N 288.347 1.781 0 50 CDAA CCc1nc(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)n[nH]1 253396230 MEMFFCPTPMYDFC-STQMWFEESA-N 290.342 1.814 0 50 CDAA Cn1ccc(NC(=O)[C@@H](N)CC2CCCCC2)n1 257674049 HSYSOGKYLNGKGS-NSHDSACASA-N 250.346 1.656 0 50 CDAA Cc1ccc(CNC(=O)c2ccc3c(n2)OCCO3)n1C 1647559357 NPEHSQKVXZBKKP-UHFFFAOYSA-N 287.319 1.430 0 50 CDAA NC[C@H]1CCCCN1C(=O)c1cccc2c1CCOC2 911722949 XJERYJIXGMKKEG-CYBMUJFWSA-N 274.364 1.713 0 50 CDAA C[C@H](O)C1(NC(=O)Cc2cccc(C(F)(F)F)n2)CC1 825677220 CCMRSEMWGMUQPA-QMMMGPOBSA-N 288.269 1.673 0 50 CDAA CCn1ncc(NC(=O)Cn2nc(C)c3cccnc32)c1C 828958538 GPXQDQQBCYIEQW-UHFFFAOYSA-N 298.350 1.903 0 50 CDAA OC[C@@H]1CCN1CCCc1nc(-c2ccccc2)no1 934028328 MLYWOKSNBTUBFG-ZDUSSCGKSA-N 273.336 1.736 0 50 CDAA C[C@H]1CN(CC(=O)NCCc2ccccc2)C[C@H](C)O1 20572391 ZRQVQXPNBKLCNG-KBPBESRZSA-N 276.380 1.455 0 50 CDAA CCC1(C(=O)N2CCO[C@@H](CC(=O)O)C2)CCC1 236867792 STHBFISEQYLNHC-JTQLQIEISA-N 255.314 1.269 0 50 CDAA CCc1nsc(N2C[C@@H](C(=O)O)C[C@@H](C)C2)n1 263172027 JKKBCYDULWIOTA-SFYZADRCSA-N 255.343 1.648 0 50 CDAA CCc1nccn1[C@@H]1CCCN(Cc2cn(C)nn2)C1 328649758 IVMCBCZUTZHDTD-CYBMUJFWSA-N 274.372 1.411 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)[C@H](N)CC(F)F)cc1 645789679 NSJAQYJDQINLIN-LLVKDONJSA-N 285.294 1.590 0 50 CDAA CC(C)c1cc(N2CCO[C@@H](CCN)C2)ncn1 95372907 AXYNZIQLCRDKIH-NSHDSACASA-N 250.346 1.154 0 50 CDAA CCc1cnc(N)nc1NCCCn1cc(Cl)cn1 95378390 GTUKCDXWFWBHEX-UHFFFAOYSA-N 280.763 1.973 0 50 CDAA CCN(c1cc(C)nc(Cl)n1)[C@H]1CCS(=O)(=O)C1 387310572 SCAMPBAWTUTTMS-VIFPVBQESA-N 289.788 1.452 0 50 CDAA Cn1cnc2nc(N3CCN[C@@H](c4ccccc4)C3)ncc21 2100477219 RHNYMZHLOFLETB-CYBMUJFWSA-N 294.362 1.514 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1[C@@H]1CCCO1 2325769486 JKGBJQHQPIQMNB-PTEOKISQSA-N 279.336 1.266 0 50 CDAA CCn1ccc(CN(C)c2cc(N)nc3ccnn23)n1 2325802531 MMRXIPRBWJNQMP-UHFFFAOYSA-N 271.328 1.164 0 50 CDAA Cn1ncc(Cn2ccnc2CO)c1C(F)(F)F 2325879659 CNFQVTPVNJMQPU-UHFFFAOYSA-N 260.219 1.176 0 50 CDAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCc1ccccc1 315140 AOHGIEMTQYNCBP-OLZOCXBDSA-N 259.305 1.970 0 50 CDAA CCOC(=O)C1=C(c2ccccc2)N[C@@H](C)N[C@@H]1C 389142 OSDWYIKPKUWHGZ-MNOVXSKESA-N 260.337 1.888 0 50 CDAA O=CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 451694 AXTDLHMYQMWBFH-UHFFFAOYSA-N 287.146 1.908 0 50 CDAA CCN1CCO[C@H](CC(=O)Nc2cccc(OC)c2)C1=O 540596 JSXRMDGHLBQTAW-CYBMUJFWSA-N 292.335 1.271 0 50 CDAA Cc1ccc(Nc2nc(N)nc(CSCCO)n2)cc1 2225415 CWYUCBLNLMTDMO-UHFFFAOYSA-N 291.380 1.731 0 50 CDAA COc1cccc(OC)c1-c1nc(N2CCOCC2)n[nH]1 2356136444 VAOFYFDRLFTJGU-UHFFFAOYSA-N 290.323 1.326 0 50 CDAA CC(=O)OCCNC(=O)c1cc2ccccc2oc1=O 2485867 UMIDGISCWOTJED-UHFFFAOYSA-N 275.260 1.086 0 50 CDAA O=C(CCc1ccc(O)nn1)N1CCc2ccccc2CC1 2356151101 RODDVMWDQXAXST-UHFFFAOYSA-N 297.358 1.742 0 50 CDAA C=COCCNC(=O)C(=O)Nc1ccc(C)c(C)c1 2993101 YKKQGYLEVDZWJW-UHFFFAOYSA-N 262.309 1.518 0 50 CDAA CN1CCO[C@]2(CCN(C(=O)c3ccc4ccccn34)C2)C1 2356168819 OVQGLQZHXMQQOS-QGZVFWFLSA-N 299.374 1.486 0 50 CDAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ncccn1 4247316 ASILKWGVIXCCOR-GFCCVEGCSA-N 287.275 1.775 0 50 CDAA COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)c1 4263848 MEXLAWWGIJKKDH-UHFFFAOYSA-N 296.282 1.831 0 50 CDAA c1ccc2c(c1)nc(NC[C@@H]1CCCO1)c1nnnn12 4928319 FEZITXGYXLHBPS-VIFPVBQESA-N 270.296 1.263 0 50 CDAA CC[C@@H](C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100662893 CNEROCIJVBUEDD-SECBINFHSA-N 286.331 1.792 0 50 CDAA biogenic CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 100042076 RKUNBYITZUJHSG-OFQRWUPVSA-N 289.375 1.931 0 50 CDAA biogenic,world COC(=O)c1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)cn1C 343658076 OXIZPIXNVRBJOL-LLVKDONJSA-N 294.351 1.499 0 50 CDAA COc1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1 101125206 CCGHVAGELGVBQD-MGPQQGTHSA-N 295.379 1.544 0 50 CDAA C[C@H]1[C@H]2CCCN2CCN1C(=O)c1ccc2c(c1)nnn2C 20540864 HNLONUROJMOWNB-SMDDNHRTSA-N 299.378 1.277 0 50 CDAA COc1ccc(C[C@@H](C)N2CCN(C)CC2)cc1OC 22586756 JZEYQYISFZVSPS-CYBMUJFWSA-N 278.396 1.882 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Nc1ccccc1 100301295 BLSSHYGXVMUFOK-XRRVDJEJSA-N 254.289 1.821 0 50 CDAA CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 55755651 PEEMXPHSPBOHLK-ZDUSSCGKSA-N 276.336 1.942 0 50 CDAA CC(C)[C@H](C)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 248255363 KPZRKURNNVNZQF-YNEHKIRRSA-N 294.395 1.712 0 50 CDAA Cc1ccc(NC(=O)CN[C@H](C(N)=O)C(C)C)cc1F 65386834 ARFJHMHPEZFBGK-ZDUSSCGKSA-N 281.331 1.172 0 50 CDAA COc1ccc(F)cc1C(=O)NC[C@@H]1CCCN(C)C1 67974040 PUVHQIWTRBJFMF-NSHDSACASA-N 280.343 1.906 0 50 CDAA Cc1cc(O)c(-c2ccnc(N3CCCC3)n2)c(=O)o1 67320851 XRYPLZJQDPLTPR-UHFFFAOYSA-N 273.292 1.711 0 50 CDAA biogenic CCc1cnc(C)nc1NC[C@@H](O)CN1CCCCCC1 65493377 NDGFUJFLZKJCPD-OAHLLOKOSA-N 292.427 1.996 0 50 CDAA Cc1cc(C)n(NC(=O)[C@@H]2CC(=O)c3ccccc32)c(=O)c1 67973784 FZDJAKCYNQJPAG-CQSZACIVSA-N 296.326 1.905 0 50 CDAA CCOC(=O)c1ccc(CNC(=O)Nc2nncs2)o1 23431115 XRDYAFLIRIUASX-UHFFFAOYSA-N 296.308 1.630 0 50 CDAA C[C@H](c1ccccn1)N(C)C(=O)CN1CCOC1=O 67804360 GSEMELRUAODHBC-SNVBAGLBSA-N 263.297 1.053 0 50 CDAA NCC1(O)CN(C(c2ccccc2)c2ccccc2)C1 118144350 HPZPZJYCMNLIKS-UHFFFAOYSA-N 268.360 1.781 0 50 CDAA CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2)C1 229209750 FQJTWLATRMPMMB-TZMCWYRMSA-N 289.379 1.710 0 50 CDAA C[C@H]1CCc2c(sc3nc(-c4nnc[nH]4)[nH]c(=O)c23)C1 120864385 LLRWZSXUDATIDS-LURJTMIESA-N 287.348 1.895 0 50 CDAA CCc1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1 35800827 CHSIYUWNPJGFJK-UHFFFAOYSA-N 298.408 1.194 0 50 CDAA Cc1nnc(-c2cnn(C)c2N)n1Cc1ccncc1 1384171 AWXCUBYDDVVRLA-UHFFFAOYSA-N 269.312 1.013 0 50 CDAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCOCC2(CC2)C1 330002715 ZCEYWINJYXNDBK-UHFFFAOYSA-N 298.346 1.724 0 50 CDAA CCCN1C(=O)N(c2ccc(OC)nn2)C(=O)[C@H]1CC 328594945 GNWXYPTVWGNCAK-SECBINFHSA-N 278.312 1.442 0 50 CDAA CCCS(=O)(=O)NC(=O)C[C@@H]1OCCc2ccccc21 123086194 SGUMJEAZCFVGKP-ZDUSSCGKSA-N 297.376 1.547 0 50 CDAA COCc1nc(CN2C[C@H](CO)Cc3ccccc32)no1 366376241 KBLFTRKITIVRDC-LLVKDONJSA-N 289.335 1.387 0 50 CDAA C[C@H]1CCOCCN1C(=O)c1ccc2nc(O)[nH]c2c1 367658873 HJFCEVDWKVJKCJ-VIFPVBQESA-N 275.308 1.520 0 50 CDAA CC(=O)N1CC[C@@H](N=c2[nH]nc(C)o2)c2ccccc21 367825651 LDOKDRPUDXHRIJ-GFCCVEGCSA-N 272.308 1.710 0 50 CDAA CO[C@@H]1CCC[C@H](CC(=O)N2CCOC[C@@H]2CC(C)=O)C1 331068657 QZZPVVWMXVPHEX-SOUVJXGZSA-N 297.395 1.788 0 50 CDAA COCCN(C[C@@H]1CC=CCC1)C(=O)[C@@H]1CCC(=O)N1 331128736 RNVVYHFMSANCIW-OLZOCXBDSA-N 280.368 1.096 0 50 CDAA CN(C)c1ncc(NC(=O)c2cccnc2S)cn1 125869253 FVIPXGIFYSMLPE-UHFFFAOYSA-N 275.337 1.479 0 50 CDAA O=C(c1ccccc1-n1cnnn1)N1CCC(F)(F)C1 331552507 ZHCYDVIELIKJCT-UHFFFAOYSA-N 279.250 1.144 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)c2csc(CN)n2)C1(C)C 236884891 SLNPODLRWCDKCS-WDEREUQCSA-N 297.424 1.877 0 50 CDAA Cc1nc(C2CCN(C(=O)Cc3nonc3C)CC2)no1 214998889 KXSVNGCCAOJRDD-UHFFFAOYSA-N 291.311 1.018 0 50 CDAA CO[C@H](CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C(=O)O 263080378 KYURGHPFDVQAGT-PTOFAABTSA-N 299.273 1.284 0 50 CDAA CCn1cccc(NC(=O)N2CCC=C(F)C2)c1=O 333935854 JXJQSCFAKRPKGH-UHFFFAOYSA-N 265.288 1.959 0 50 CDAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)CCN 237535767 HXKYDJLKEGFEEP-JMSVASOKSA-N 262.353 1.712 0 50 CDAA Cc1oc(C(C)C)cc1C(=O)N1CCOC[C@H]1C(=O)O 263126097 LATXOQNEBSKEJN-NSHDSACASA-N 281.308 1.637 0 50 CDAA COCc1ccc(OC)c(S(=O)(=O)N(C)C)c1 285118113 MKHPAVXWAYBBFB-UHFFFAOYSA-N 259.327 1.092 0 50 CDAA COC(=O)COc1cc(C)c(OCC(=O)OC)c(C)c1C 40546115 YWZKUYFONCWWEG-UHFFFAOYSA-N 296.319 1.715 0 50 CDAA CNS(=O)(=O)CCNC(=O)Nc1ccc(Cl)cc1 40636396 SBOBOAJQJALULQ-UHFFFAOYSA-N 291.760 1.011 0 50 CDAA COc1ccc([C@@H](C)NC(=O)CN2CCOCC2)cc1F 136153742 FRFAUIXGRSMAQB-LLVKDONJSA-N 296.342 1.344 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCOC3(CCCC3)C2)o1 220237656 GUGAXIVFTAOMNC-UHFFFAOYSA-N 277.320 1.733 0 50 CDAA Cn1ccnc1[C@H](NC(=O)c1cnco1)c1ccccc1 221198086 HYUGMEFAKXILGF-CYBMUJFWSA-N 282.303 1.928 0 50 CDAA C[C@@H]1O[C@H](C)[C@H](C(=O)N=c2ccc3c([nH]2)OCCO3)[C@H]1C 529515906 GNEROXPWIHYELM-QISWUMQESA-N 292.335 1.273 0 50 CDAA CO[C@H](CNC(=O)[C@H](C)Cc1ccccc1Cl)C(=O)O 263535686 OMWHPGKZSASFQR-BXKDBHETSA-N 299.754 1.734 0 50 CDAA O=C(O)[C@H]1C[C@@H](O)CN(C(=O)OCc2ccccc2)C1 40845031 SLBOCRNMAOXNRL-NWDGAFQWSA-N 279.292 1.091 0 50 CDAA O=C(O)c1ncn(C[C@H](O)c2cccc(Cl)c2)n1 221633039 TYGWTEYWVWTMBF-VIFPVBQESA-N 267.672 1.363 0 50 CDAA CN1CCCN(c2cc([C@H]3CCOC3)ncn2)CC1 426405116 IRICYYHHTGUFKA-LBPRGKRZSA-N 262.357 1.122 0 50 CDAA CCCCn1ncnc1[C@H]1CC(=O)N(Cc2ccccn2)C1 91988106 HOSDLXOWFPKGAD-ZDUSSCGKSA-N 299.378 1.989 0 50 CDAA Cc1cccc([C@@H](C(=O)N(C)CC2(CO)CC2)N(C)C)c1 91625202 ODCVTEQZDYLIES-HNNXBMFYSA-N 290.407 1.829 0 50 CDAA CCN1CCC(CC(=O)N[C@@H](C)c2ncnn2C)CC1 95503110 TUHFYBMYXRLRHJ-NSHDSACASA-N 279.388 1.114 0 50 CDAA COc1ccc2c(c1)OC[C@@H](CNc1nccc(N)n1)C2 91551700 APAOKMUCNLNZBB-SNVBAGLBSA-N 286.335 1.731 0 50 CDAA O=C([C@H]1CCc2ccccc21)N1C[C@@H]2CNC[C@@H]2C1 97681842 JYONWFBSNUITFI-GUTXKFCHSA-N 256.349 1.394 0 50 CDAA CC(C)N1CCC(C(=O)N(C)Cc2nccn2C)CC1 95354637 RRMIVOPNKIRXSM-UHFFFAOYSA-N 278.400 1.499 0 50 CDAA CN1CCN(c2ccc(-c3ncnn3C)cc2)CC1 91643799 UEUGUPDIUCQTJO-UHFFFAOYSA-N 257.341 1.234 0 50 CDAA CC(C)c1ncc(C(=O)N[C@@H]2CN3CCC2CC3)cn1 97831111 ROSBPZMDJUBNHG-CYBMUJFWSA-N 274.368 1.424 0 50 CDAA CSc1ccc(Cc2nc(C)nn2CCO)cc1 96131251 VUIFSGJHOXZCCN-UHFFFAOYSA-N 263.366 1.892 0 50 CDAA Cc1ccn(CC(=O)N2CCC[C@@](CO)(CC3CC3)C2)n1 91410738 SOKGNODIVFLZNZ-MRXNPFEDSA-N 291.395 1.593 0 50 CDAA C[C@H]1CN(C)CCN1C(=O)[C@H]1Cc2ccccc2S1 336317298 FPCSHEJUYNDZKS-SMDDNHRTSA-N 276.405 1.866 0 50 CDAA CC(C)[C@@H]1CN(C(=O)C(=O)c2ccccc2)C[C@H]1N(C)C 95525690 VLLXOEDFXDBWEL-LSDHHAIUSA-N 288.391 1.914 0 50 CDAA Cc1c[nH]c(CN2CCCC[C@H]2CCC(=O)O)n1 97594926 UYAZUGFHMJEVMN-NSHDSACASA-N 251.330 1.937 0 50 CDAA Cc1cccc(C[C@H](C)NC(=O)CN2CCCC2)n1 240824947 QMNYMWSYEXJPSJ-ZDUSSCGKSA-N 261.369 1.533 0 50 CDAA C[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1c1ccccc1)[C@H]42 244816928 SRGKPAIYFCEGQE-UBSRFGSGSA-N 271.316 1.391 0 50 CDAA CCNC(=O)CCN(C)Cc1nc2cc(C)ccc2[nH]1 240128338 IQAHDKGYHOILPZ-UHFFFAOYSA-N 274.368 1.829 0 50 CDAA O=C(COc1cccnc1)N[C@H]1CCO[C@@H]1c1cccnc1 299745401 YTBYWBMZOGLBSF-GOEBONIOSA-N 299.330 1.502 0 50 CDAA C[C@H](C(=O)NCCCOC1CCCC1)N1CCCC1 534591722 CVQGQIWWNYATNU-CYBMUJFWSA-N 268.401 1.936 0 50 CDAA Cc1noc(-c2cncnc2NC[C@H]2CCCO2)n1 263617508 ODCNFPHYRVOFPL-SECBINFHSA-N 261.285 1.426 0 50 CDAA Cc1c(OCC(=O)Nc2ccncc2)c(=O)ccn1C 263587319 FMTIJNILUPABMD-UHFFFAOYSA-N 273.292 1.106 0 50 CDAA CCN1CC[C@H](N=c2cc(C(=O)O)c3ccccc3[nH]2)C1 389189269 MCANEECKKKSCTB-NSHDSACASA-N 285.347 1.861 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1cc2ncccn2n1 299780046 QZLPWHZPRIWOLR-SNVBAGLBSA-N 299.338 1.222 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC(=O)Nc2cnns2)n1 299797542 BCBKMOYPYYFJMX-QMMMGPOBSA-N 280.357 1.562 0 50 CDAA O=C(CN1CCCCCC1)NC[C@H]1CCCOC1 827832307 XJEYSSILSKUCPW-CYBMUJFWSA-N 254.374 1.405 0 50 CDAA CN(C[C@@H]1CCCCN1C)C(=O)[C@H]1CC[C@@H](O)CC1 584903015 JWWGODPYEVNWTM-MELADBBJSA-N 268.401 1.480 0 50 CDAA Cc1ccnc(N[C@H](CO)[C@H](O)c2ccc(Cl)cc2)n1 585132675 KWEIONVVFKOYIZ-CHWSQXEVSA-N 293.754 1.945 0 50 CDAA CN(CC1(CO)CCCC1)C(=O)C[C@@H]1CCCCN1C 584897474 XAPGSEXJTJSPHJ-AWEZNQCLSA-N 282.428 1.872 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NCCCO)C[C@H]1C2 585136487 IDABPHTXYUCRAB-YNEHKIRRSA-N 284.400 1.746 0 50 CDAA O=C1NCCC[C@H]1n1cnc2ccc(Cl)cc2c1=O 584884420 KMIBRTXYQDOSBE-LLVKDONJSA-N 277.711 1.501 0 50 CDAA Cc1cc(CC(=O)NC2(C(N)=O)CCCCCC2)on1 584902409 OFPSHSSGINDWMM-UHFFFAOYSA-N 279.340 1.220 0 50 CDAA COc1ccc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)c(C)c1 1548767111 VRAMMIVLUFZXPB-JTQLQIEISA-N 287.323 1.146 0 50 CDAA COCCCN(C)C(=O)Nc1cccc(NC=O)c1 952883138 YCDPYODJJTUVGG-UHFFFAOYSA-N 265.313 1.755 0 50 CDAA CC(C)CCC(=O)Nc1ccc(S(C)(=O)=O)nn1 952882491 FYNRPPZHMKHFDA-UHFFFAOYSA-N 271.342 1.255 0 50 CDAA COc1cc(NC(=O)N2CC(O)(C(F)(F)F)C2)ccn1 952964955 YRFYJCXTDNSJOH-UHFFFAOYSA-N 291.229 1.231 0 50 CDAA O=C(N[C@@H]1CC12CCOCC2)c1ccnc2[nH]ncc12 1875294778 WZAFRYJPTQCNEX-LLVKDONJSA-N 272.308 1.257 0 50 CDAA O=C1CC[C@H](COC(=O)c2cccc3c[nH]nc23)O1 1875299661 REKSOBZFMFQTMU-SECBINFHSA-N 260.249 1.425 0 50 CDAA CC(C)[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1C=CS(=O)(=O)C1 1875310073 BSPBPFXOOCTPMX-RWMBFGLXSA-N 285.409 1.876 0 50 CDAA CN1CCN(c2cc(NC(=O)C3CCCC3)ccn2)CC1 1875315946 OMBMNHSPKBUMJG-UHFFFAOYSA-N 288.395 1.962 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@]1(CO)CCc2ccccc21 1875375672 JFDCVYKRDMGORQ-CDVVCGDMSA-N 274.364 1.054 0 50 CDAA O=C(NCC1CC1)c1nc[nH]c2ncc(Br)c1-2 1875329341 RHOJJNTZACXKGZ-UHFFFAOYSA-N 295.140 1.812 0 50 CDAA CC(=O)Nc1ncccc1NC(=O)C[C@@H]1CC2(CC2)CO1 1875318361 HJQQJDUUIWKFOD-LLVKDONJSA-N 289.335 1.938 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C2CC2)C1 958528543 QEBFZINDPCOVGI-GXFFZTMASA-N 256.346 1.096 0 50 CDAA Cc1ccccc1CC(=O)N[C@@H]1CCc2nnn(C)c2C1 886761114 WVKZKASGTJHTLC-CYBMUJFWSA-N 284.363 1.340 0 50 CDAA O=C(CCF)N1Cc2ncccc2N2CCC[C@H]2C1 890628571 SHIVHWYEGNMWDG-NSHDSACASA-N 263.316 1.752 0 50 CDAA O=C(c1ccn(CC(F)(F)F)n1)N1CCn2nccc21 1772126646 MDDPGQCVGUMLIX-UHFFFAOYSA-N 285.229 1.302 0 50 CDAA CCc1cnc(CC(=O)N(C)CCNc2ccccn2)[nH]1 1775998832 JDWMDGNCCBIOJE-UHFFFAOYSA-N 287.367 1.480 0 50 CDAA CCC(C)(C)CNC(=O)N1CCC(OC)(OC)[C@H](O)C1 1776006372 OVRHEGJYEGJGDO-LLVKDONJSA-N 288.388 1.188 0 50 CDAA C[C@]1(O)CCN(Cc2cccc(OC(F)F)c2)C[C@H]1O 1565512440 VGEOBQDBHAICHY-OCCSQVGLSA-N 287.306 1.606 0 50 CDAA CC(C)[C@H]1CCC[C@@H](NC(=O)N2C[C@@H](O)C[C@H]2CO)CC1 185823133 PEOJYEOIJLUQCI-XGUBFFRZSA-N 298.427 1.728 0 50 CDAA Cc1csc(C2CCN(C(=O)[C@@H]3CSCN3)CC2)n1 167259218 FJGNAIIPOSNAPH-NSHDSACASA-N 297.449 1.820 0 50 CDAA CS(=O)(=O)CCN1CCC(C2CCOCC2)CC1 170052322 WJSOKQXIWXBUGS-UHFFFAOYSA-N 275.414 1.170 0 50 CDAA CC(C)Cn1ccnc1CN1C(=O)[C@H]2CCCCN2C1=O 170592649 ONPRXADDMKAPGY-GFCCVEGCSA-N 290.367 1.856 0 50 CDAA C[C@H](OC(=O)[C@@H](C)N(C)CC(F)(F)F)[C@@H]1CCOC1 170619582 CNHCTEJWZIYUCS-KXUCPTDWSA-N 283.290 1.837 0 50 CDAA CO[C@H]1C[C@H](NC(=O)N2CCCC[C@@H]2CCC(=O)O)C1 706523191 VAVPAKCVITUPRL-IJLUTSLNSA-N 284.356 1.593 0 50 CDAA C[C@H](N[C@@H]1CCCNC(=O)C1)[C@@H](c1ccccc1)N(C)C 585116905 MCGGYGOXRBGGHZ-LXZKKBNFSA-N 289.423 1.936 0 50 CDAA Cc1cc2c(cc1NC(=O)[C@@H]1CN(C)C[C@H](C)O1)OCO2 585132080 NZEMIWHRMBSUNP-HZMBPMFUSA-N 292.335 1.381 0 50 CDAA C[C@H](O)[C@@H](O)CN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 585117051 PWBWDRJZJOMYTR-ZDMBXUJBSA-N 297.786 1.951 0 50 CDAA Cc1cc(CC(=O)NCc2nc(C)c(C(=O)O)s2)no1 679398956 LZFHIETYVDOGJE-UHFFFAOYSA-N 295.320 1.305 0 50 CDAA Cn1ncnc1NC(=O)Nc1ccn(CC(F)(F)F)n1 192238364 ZSXWHLILFTZWTF-UHFFFAOYSA-N 289.221 1.218 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1cc(F)cc(F)c1 193113785 HWCMMUDXMSQAGX-ZETCQYMHSA-N 265.281 1.741 0 50 CDAA Cc1noc(C)c1-c1ccc(C(=O)NCC(=O)O)o1 657201133 SUDYNYWWVKGGOR-UHFFFAOYSA-N 264.237 1.366 0 50 CDAA COc1ccc(-c2ccnc(N[C@H]3CC(=O)N(C)C3)n2)cc1 571851724 FZYOVVDRTPPRJN-LBPRGKRZSA-N 298.346 1.795 0 50 CDAA OC[C@H]1C[C@@H]2OCCN(CCn3cc(Cl)cn3)[C@H]2C1 1857726769 BIMDBGFVJAQAJV-WXHSDQCUSA-N 285.775 1.008 0 50 CDAA CC(C)CN1CC[C@H](C(=O)N2CCC[C@H]2C(=O)O)C1 236788247 QYWYWHBTANUTGW-RYUDHWBXSA-N 268.357 1.040 0 50 CDAA COc1cc(CCO)cc(OCc2nnc(C)s2)c1 655686206 ZHEMXADDHIZHGM-UHFFFAOYSA-N 280.349 1.969 0 50 CDAA O=C1Nc2ncc(Br)cc2C12CCOCC2 149985320 MFBOMGCPFZSTLQ-UHFFFAOYSA-N 283.125 1.844 0 50 CDAA in-vitro CCN(CC(=O)N1CCCNC(=O)[C@@H]1C)c1ccccc1 1615057770 JETRPQTVOSGLEF-ZDUSSCGKSA-N 289.379 1.250 0 50 CDAA Cc1cc(C)c(CC(=O)N[C@@H]2C[C@H](N)C23CCC3)c(O)n1 1615555271 PIKHMABVYFMFQY-QWHCGFSZSA-N 289.379 1.333 0 50 CDAA Cc1cc(CC(=O)NCc2cccn3nccc23)on1 1772805287 JAGARJNYGGXUMC-UHFFFAOYSA-N 270.292 1.490 0 50 CDAA O=C(O)c1cccc(OCC(=O)N2CCCCC2)c1 13035107 LUDSGMHLAWWTNX-UHFFFAOYSA-N 263.293 1.776 0 50 CDAA CSc1nnc(-c2cccc(NC(=S)NN)c2)o1 13571508 DPXRMSNVSJBIKH-UHFFFAOYSA-N 281.366 1.619 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)C(=O)c1cnc[nH]1 169932428 BYMFFOZRTIAMRO-UHFFFAOYSA-N 255.281 1.558 0 50 CDAA CCn1ncc2c(=O)n(Cc3csnc3OC)cnc21 1641112159 GMVDCEVBSILPKJ-UHFFFAOYSA-N 291.336 1.126 0 50 CDAA COc1ccc2c(c1)C[C@@H](NC(=O)[C@@H]1CCOC1)CC2 1857527763 YYCGFSDREQQDCF-OCCSQVGLSA-N 275.348 1.705 0 50 CDAA CC(C)Oc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 194856 VJAKUPPPTKCJFX-JTQLQIEISA-N 263.293 1.911 0 50 CDAA in-vitro CCN1CCOC[C@@H]1C(=O)NCC1C[C@@H](C)O[C@H](C)C1 332764250 GRGALYMXGWRAQX-YRGRVCCFSA-N 284.400 1.027 0 50 CDAA CCc1noc(C)c1NC(=O)N1CC(NC(=O)C2CC2)C1 239367112 AHOAFABVUCOMHL-UHFFFAOYSA-N 292.339 1.288 0 50 CDAA C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)C(=O)O 659134147 SXYODBWTOSSRJE-SECBINFHSA-N 263.293 1.210 0 50 CDAA CCn1ccnc1[C@H](N[C@H]1CCOC1)C1CCOCC1 343404299 RBLRTXMSFDCKSG-UONOGXRCSA-N 279.384 1.749 0 50 CDAA NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]3CCC[C@@H]32)C1 246915661 YOMYSWVJZVHCLU-AVGNSLFASA-N 279.384 1.568 0 50 CDAA N[C@@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 158471895 GBZJCVYBWLTHRH-UKRRQHHQSA-N 274.364 1.640 0 50 CDAA Cc1cnnc(N2CCN(CCOC(C)C)CC2)c1 585132898 FGCCMGZGZPTITL-UHFFFAOYSA-N 264.373 1.332 0 50 CDAA Cc1nc([C@H]2CCN(C(=O)NCCOC(C)(C)C)C2)no1 915371732 HKACKMMNTNETGS-NSHDSACASA-N 296.371 1.692 0 50 CDAA COc1ncccc1N1C(=O)N[C@@H](CC(F)F)C1=O 900195980 HCAUFCQXFRBGJF-LURJTMIESA-N 271.223 1.170 0 50 CDAA O=C(O)[C@@H]1CCCN1c1nc(C2CC2)nc2[nH]ccc12 900941863 YYZCNBUWHQTTAH-JTQLQIEISA-N 272.308 1.889 0 50 CDAA O=C(N[C@H]1CCNC12CCC2)c1nccc2cccnc12 1650371048 HTVZJRWZXASBJL-LBPRGKRZSA-N 282.347 1.644 0 50 CDAA Cc1c(F)cccc1C(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1704336627 ZTBQPCRXLSRLSA-STQMWFEESA-N 292.354 1.537 0 50 CDAA CC[C@@H]1C(=O)NCCCN1C(=O)c1ccnc2ccccc12 906450690 YWIXYWFLBFBGOE-OAHLLOKOSA-N 297.358 1.976 0 50 CDAA CNC[C@@H]1CCN(C(=O)Cc2ccn(C(C)C)n2)C1 832645270 SQWRZMYJHAMUCV-LBPRGKRZSA-N 264.373 1.074 0 50 CDAA CN1CCCN(C(=O)Cc2cccc(C(=O)O)c2)CC1 833697771 ROVWZLALMSWLSF-UHFFFAOYSA-N 276.336 1.091 0 50 CDAA O=C(O)c1ccccc1CN1CCC[C@H]1C1(O)CC1 1772807005 NZNZBYJRMWBVMR-ZDUSSCGKSA-N 261.321 1.874 0 50 CDAA O=C1CN(C(=O)c2ccc3cc[nH]c3c2)CCCN1 112207155 BEMXSDCCPIIFLY-UHFFFAOYSA-N 257.293 1.130 0 50 CDAA COc1ccc(OC[C@@H](O)CNC2CCCC2)cc1 5050858 AVAOEPBPSCNXFA-ZDUSSCGKSA-N 265.353 1.967 0 50 CDAA Cc1ccc(C(=O)NCC2(CO)CCOCC2)o1 151686483 UBKMNRLGXPDYPT-UHFFFAOYSA-N 253.298 1.107 0 50 CDAA C[C@H]1CN(C(=O)c2ccc3[nH]ncc3c2)C[C@@H](C)N1 153761684 NOZTZUUYSJNZTM-AOOOYVTPSA-N 258.325 1.385 0 50 CDAA CC(C)C[C@H](N)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 262676486 SKTDUHDYOZTILC-UPJWGTAASA-N 255.406 1.301 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccsc2)CC1(F)F 408524491 LSPUIJXNSXIEFY-VIFPVBQESA-N 289.303 1.859 0 50 CDAA CN(C)c1ncc(CN2C[C@H](CO)OC(C)(C)C2)s1 421358133 AZDQOQZHBBUWDM-SNVBAGLBSA-N 285.413 1.181 0 50 CDAA CCC[C@@H](CNc1cc(OC)nc(=N)[nH]1)N(C)C 534587719 BWIYYCDAQYHGSN-VIFPVBQESA-N 253.350 1.040 0 50 CDAA CCn1nc(C)c(CNC(=O)c2ccc(F)cn2)c1C 543147148 UWIGLEVCXCTEMG-UHFFFAOYSA-N 276.315 1.984 0 50 CDAA Cn1ccnc1[C@@H]1CCN(c2ncnc(N)c2Cl)C1 365462380 KDCWZDBDLDPMOB-MRVPVSSYSA-N 278.747 1.440 0 50 CDAA Cc1nn(C(C)C)cc1CN(C)[C@@H]1CCCCNC1=O 374248490 BXDWCFSRPDZYQT-CQSZACIVSA-N 278.400 1.873 0 50 CDAA CC1(C)NCC[C@@H]1NC(=O)c1c(F)cncc1F 952992978 LREUULLNIHXKLD-VIFPVBQESA-N 255.268 1.230 0 50 CDAA CCCN1CCC[C@H](Nc2nc(OC)cc(OC)n2)C1 952977816 DAMGSMJHRGHRSS-NSHDSACASA-N 280.372 1.780 0 50 CDAA Cc1cc(N)nc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 871101502 QMUKOCGIVORDSO-JLLWLGSASA-N 260.341 1.737 0 50 CDAA Cc1ccc2nsnc2c1S(=O)(=O)NC1CC1 611252 ODSLBMWQCIZCOW-UHFFFAOYSA-N 269.351 1.440 0 50 CDAA C[C@H]1C[C@H](NC(=O)CCc2n[nH]c3ccccc23)C(=O)O1 2325766456 UYQXGZOEIXVPSK-ZANVPECISA-N 287.319 1.316 0 50 CDAA COc1cccc(C)c1C(=O)N1CC([C@@H]2C[C@H]2C(=O)O)C1 2325812906 QRYQHEBLSUCKQM-NWDGAFQWSA-N 289.331 1.796 0 50 CDAA CC(C)(CC(F)(F)F)C(=O)NCCCc1nc(=O)o[nH]1 2325850167 OBLZVRRHTZYEQC-UHFFFAOYSA-N 295.261 1.390 0 50 CDAA CNCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1C 209318 BCYLMWGLBAKEBZ-JTQLQIEISA-N 278.352 1.369 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 501132 ZBBPICFYDJFWNE-CYBMUJFWSA-N 290.319 1.886 0 50 CDAA Cc1cccc(-n2nc(C)c(CNCCO)c2C)c1 2025617 RTVJNASUWGINQJ-UHFFFAOYSA-N 259.353 1.879 0 50 CDAA COc1ccccc1CCNC(=O)[C@H]1C[C@H]1C(=O)O 224722397 CIABMCSBMHBJRJ-WDEREUQCSA-N 263.293 1.075 0 50 CDAA COC(=O)NC(NC(=O)OC)c1ccc(F)cc1 2952086 LLCUICKWOMGWPT-UHFFFAOYSA-N 256.233 1.536 0 50 CDAA CCN1CC[C@@H](CN(CC)Cc2ccn3ncnc3c2)C1 2356164123 GFKJZVQXBDQDFJ-OAHLLOKOSA-N 287.411 1.893 0 50 CDAA COC[C@@]12COC[C@@H]1CN(Cc1ccc(C(=O)O)cc1)C2 2356168670 AIONBWYECQQOAM-HOCLYGCPSA-N 291.347 1.480 0 50 CDAA COc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)C 3888194 TURYCNVSEWGTMU-UHFFFAOYSA-N 287.337 1.470 0 50 CDAA COc1ccc(NC(=O)CSc2cn[nH]n2)cc1OC 4386612 CNXQKLHLZOKBFZ-UHFFFAOYSA-N 294.336 1.553 0 50 CDAA CCn1cc(CN[C@H]2CCO[C@@H]2c2ccnn2C)cn1 343394171 QVECQQOKZJJUFL-JSGCOSHPSA-N 275.356 1.256 0 50 CDAA OC1[C@H]2CCC[C@H]1CN(c1cc(NCC3CC3)ncn1)C2 225517623 WECYFYYIDWNRCQ-STQMWFEESA-N 288.395 1.896 0 50 CDAA O=C1NC[C@H](COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)O1 225614603 AIHFIGSYXWYWQS-FXPVBKGRSA-N 297.257 1.720 0 50 CDAA CCOc1cccc2cc(C(=O)N(C)C)c(=O)oc12 8843646 BZRQAOYDHYYZOH-UHFFFAOYSA-N 261.277 1.894 0 50 CDAA CN(C)C(=O)c1ccc(N2CCN3CCC[C@@H]3C2)nc1 171987057 WDSOPJNQHFESPR-CYBMUJFWSA-N 274.368 1.068 0 50 CDAA OCc1cn(-c2ccc(Br)cc2)nn1 52221392 HUVXBOQZBOJHIZ-UHFFFAOYSA-N 254.087 1.522 0 50 CDAA O=C(O)c1cn(Cc2ccc(F)cc2Cl)nn1 50213483 YDPAMHUYLIYTRS-UHFFFAOYSA-N 255.636 1.817 0 50 CDAA Cc1nn2c(N)c(C(N)=S)nnc2c1-c1ccccc1 65365190 KCYPUFCOZRFGFQ-UHFFFAOYSA-N 284.348 1.316 0 50 CDAA O=C1[C@@H]2CSCCN2C(=O)N1[C@@H]1C[C@@H]1c1ccccc1 349168183 HDTFPXCNPMQGNT-UPJWGTAASA-N 288.372 1.922 0 50 CDAA CCOC(=O)C1(C[C@H]2CCCCO2)CCNCC1 67723201 BUBVWNUKKWLMNE-GFCCVEGCSA-N 255.358 1.879 0 50 CDAA Cc1cc(C(=O)NCCc2noc(C(C)C)n2)nc(C)n1 65394305 WBNUJEMAVZEQSR-UHFFFAOYSA-N 289.339 1.572 0 50 CDAA CCc1nnc(C)cc1C(=O)N[C@H](C(=O)O)C(C)C 229153781 DVWZLHDUKSQJFT-NSHDSACASA-N 265.313 1.186 0 50 CDAA CN(Cc1n[nH]c2c1CCCCC2)[C@H]1CCCNC1 67741072 GXPDMXUQHHSRIQ-LBPRGKRZSA-N 262.401 1.862 0 50 CDAA CC(C)[C@@H]1CN(C(=O)NC[C@@]2(C)CCC(=O)N2)[C@@H]1C(C)C 331936050 GSJRLILNAPYBOL-JGGQBBKZSA-N 295.427 1.977 0 50 CDAA Cc1nn(C)cc1COC(=O)c1c(Cl)cnn1C 214866 ZHUOABDMUPCJJF-UHFFFAOYSA-N 268.704 1.472 0 50 CDAA CCN(Cc1nnc(C)o1)[C@@H]1CN(C2CCCC2)C[C@H]1O 328643599 RNADEIOUVKDSIE-ZIAGYGMSSA-N 294.399 1.188 0 50 CDAA CCn1cnnc1[C@@H]1CN(Cc2cccn2C)CCO1 328649370 VBAOPQHTMDNOAN-ZDUSSCGKSA-N 275.356 1.210 0 50 CDAA C[C@H](CCn1cccn1)Nc1ccc(-c2nccn2C)nn1 67739694 FCESPNDUSSCHAQ-GFCCVEGCSA-N 297.366 1.964 0 50 CDAA Cc1ncc2c(c1CNC(=O)C1CCC1)CCNC2 72411810 NSMDIDKREKKABF-UHFFFAOYSA-N 259.353 1.452 0 50 CDAA CC(C)c1cncnc1N1CCOC[C@H](CN(C)C)C1 72127077 ATCGWIYMUPUXFT-CYBMUJFWSA-N 278.400 1.614 0 50 CDAA CC(C)C[C@H](CN)NC(=O)c1cccc(-n2ccnc2)c1 236615088 VGSJQDJWDDMJKD-CQSZACIVSA-N 286.379 1.976 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CCCN1c1ccccc1)c1nc[nH]n1 332990741 AQAUZNPWXBSBDS-YPMHNXCESA-N 285.351 1.651 0 50 CDAA O=C(NCc1cccnc1)c1nn2cccnc2c1Cl 37867239 JJVPGWZDTCTHPA-UHFFFAOYSA-N 287.710 1.708 0 50 CDAA Cc1cc(=NC(=O)N(C)C[C@H]2CCCN2C)[nH]n1C(C)C 333477935 FFFHIEAVBDTJOH-CYBMUJFWSA-N 293.415 1.752 0 50 CDAA Cc1ccc(CN2CC[C@@](O)(CO)C2)c2cccnc12 214994508 QOZDFBUXLSCUFK-INIZCTEOSA-N 272.348 1.472 0 50 CDAA CC(C)COCCCNC(=O)C(=O)NCc1ccoc1 283425079 KAFOQIPMASKPTE-UHFFFAOYSA-N 282.340 1.075 0 50 CDAA C[C@@H](c1cccs1)N(C)C(=O)CCS(C)(=O)=O 126982399 LZIPYHKZSGCUGB-VIFPVBQESA-N 275.395 1.702 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@H](c3noc(C)n3)C2)on1 219133814 OXGBUUMJYBLHRL-NSHDSACASA-N 290.323 1.623 0 50 CDAA Cc1nc(C(=O)N2CC(CF)C2)nn1-c1ccc(F)cc1 335221729 OJORTNNUYJVIKR-UHFFFAOYSA-N 292.289 1.756 0 50 CDAA Cc1nn(C)cc1CN1CCN(C(=O)OC(C)(C)C)CC1 123695324 MXUWIEKWXBMKCR-UHFFFAOYSA-N 294.399 1.781 0 50 CDAA Cc1nnc(S)n1CCNC(=O)C(C1CC1)C1CC1 130242235 UWVQBVOAUFHCMI-UHFFFAOYSA-N 280.397 1.428 0 50 CDAA CCc1oc(C(=O)N2CC[C@@](O)(C(=N)O)C2)cc1C 336225742 IOHIRYBITSUCLL-ZDUSSCGKSA-N 266.297 1.263 0 50 CDAA Cc1cccnc1CN1CCN(C(=O)[C@H]2CCCO2)CC1 72410347 WRGIJZPWVCEGBO-OAHLLOKOSA-N 289.379 1.213 0 50 CDAA CO[C@@H](C)C(=O)Nc1cccc([C@H](C)C(=O)O)c1 263172414 GBLWIUQFGBJGRQ-IUCAKERBSA-N 251.282 1.848 0 50 CDAA CCc1cc2c(=O)n([C@H](C)Cn3cncn3)cnc2s1 43125141 LOCNXTPQJAXJOK-SECBINFHSA-N 289.364 1.873 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2ncccn2)CC1 44137219 YEEDHQBGXCVRDP-UHFFFAOYSA-N 264.329 1.534 0 50 CDAA CCCOCCNc1cc(C2CC(N)C2)nc(N)n1 222917872 QJBUZSOYYPJNSX-UHFFFAOYSA-N 265.361 1.102 0 50 CDAA O=C(C[C@@H]1CCCCO1)N[C@@H]1CCc2[nH]ncc2C1 176383422 XHYDCRCTLZDQSC-NEPJUHHUSA-N 263.341 1.342 0 50 CDAA Cc1ccc2c(c1)CC[C@H](C(=O)NCc1cncn1C)O2 291499611 RXJGAFBODQVNJU-OAHLLOKOSA-N 285.347 1.739 0 50 CDAA COC1(C(=O)N2CC[C@](F)(C(=O)O)C2)CCCCC1 263532683 NFQNJCQQCHPSNJ-GFCCVEGCSA-N 273.304 1.361 0 50 CDAA OC[C@H]1C[C@H](O)CN1CCOc1ccc(Cl)c(F)c1 225400247 ZGRRBGYRSBKYBW-ZJUUUORDSA-N 289.734 1.285 0 50 CDAA CC(=O)NC1CCC(N[C@H]2CCCCC[C@H]2CO)CC1 133577501 MNECSVLOXBVPKF-LBDPXKHJSA-N 282.428 1.965 0 50 CDAA CN1N=C(C(=O)Nc2cccc(-n3cccn3)c2)CCC1=O 45762100 JKPGOKOYFSWNSS-UHFFFAOYSA-N 297.318 1.419 0 50 CDAA CCC[C@@H]1CN(Cc2cccnc2N)C[C@H]1NC(C)=O 82109340 ZSJAZXOYGVZKHD-TZMCWYRMSA-N 276.384 1.400 0 50 CDAA CCOC(=O)C(Oc1ccccc1C)C(=O)OCC 44124747 SSKLUIRMJMNRDQ-UHFFFAOYSA-N 266.293 1.869 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)C(C)(C)N1CCCC1 426533714 DFHKRNKVYNWDNR-UHFFFAOYSA-N 292.427 1.950 0 50 CDAA CCN(Cc1noc(C)n1)C(=O)c1ncccc1O 223895705 IKYCBSOLGXTRAP-UHFFFAOYSA-N 262.269 1.141 0 50 CDAA CCOC(=O)COc1cccn2c(C(=O)OCC)cnc12 514267968 QWCLMDAHKVYOCG-UHFFFAOYSA-N 292.291 1.453 0 50 CDAA Cc1cc(N2CCC[C@H](c3nccn3C)C2)nc(N)n1 82134400 BSTNRANYZIAVEM-NSHDSACASA-N 272.356 1.485 0 50 CDAA COc1ncc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cn1 426359551 LPHANEAJFLAKDH-CYBMUJFWSA-N 290.367 1.186 0 50 CDAA Cn1cccc1C(=O)NC[C@H]1CCCN1c1cccnn1 265417018 BRWYIMVYPROTCU-GFCCVEGCSA-N 285.351 1.214 0 50 CDAA COCCN(C)Cc1cc2c(cc1OC)OCCCO2 222372141 ZTRIKLWFRAMDIP-UHFFFAOYSA-N 281.352 1.935 0 50 CDAA CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc2nccn2c1 179387883 SUUUPFNKMRIMRX-GFCCVEGCSA-N 286.335 1.075 0 50 CDAA COc1ccc(F)c(F)c1CN1C[C@@H]2NCCO[C@H]2C1 426740496 NDUDNWYAHKMZAT-AAEUAGOBSA-N 284.306 1.146 0 50 CDAA COC(=O)CNC(=O)CN(c1ccc(F)cc1)C(C)C 162713723 ZCPLDMLSTVULIJ-UHFFFAOYSA-N 282.315 1.330 0 50 CDAA CC(C)n1ccc(C(=O)NC[C@]2(O)CCC[C@H]2C)n1 294433954 VDZDEGFSBJYVQZ-BXUZGUMPSA-N 265.357 1.745 0 50 CDAA O=C1CC[C@]2(CCOC2)CN1Cc1cnn2cccnc12 91693933 PSMMGHAYGMXEDO-HNNXBMFYSA-N 286.335 1.258 0 50 CDAA Cn1cc(C(=O)N2CC[C@H]2c2ccccc2)ccc1=O 334536561 ZXJBABVPJPJCBZ-AWEZNQCLSA-N 268.316 1.973 0 50 CDAA O=c1[nH]ccnc1N1CCN(Cc2cccs2)CC1 97805647 OKXPOIAJYFXGEB-UHFFFAOYSA-N 276.365 1.154 0 50 CDAA CCn1ncnc1CN1CCC[C@@](CCOC)(C(=O)O)C1 91550624 ITAXAQCGTQFFPV-AWEZNQCLSA-N 296.371 1.001 0 50 CDAA CC(=O)c1cc(CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)cs1 243893138 AOGGRZJWHRZESF-CRWXNKLISA-N 295.404 1.514 0 50 CDAA Cn1c(C(=O)N2CCOC[C@@H]2C(=O)O)cc2ccccc21 299751828 RXVPRMCXUUCFKP-CYBMUJFWSA-N 288.303 1.104 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1ccnc(OC)c1 534646624 QTXRCYOLDLMXBM-JTQLQIEISA-N 289.339 1.583 0 50 CDAA N[C@H]1[C@H]2CC[C@@H]1CN(C[C@H]1CC(=O)N(c3ccccc3)C1)C2 299756875 IGBIADUEVDGXDI-ZXFNITATSA-N 299.418 1.709 0 50 CDAA CC(C)(C)c1cc(CNC(=O)c2ccc(N)nc2)[nH]n1 299779410 NOHSTOSCQHWNHK-UHFFFAOYSA-N 273.340 1.614 0 50 CDAA C[C@H]1CN(CC(=O)NCCCc2cccnc2)C[C@@H](C)O1 299784358 ZULAWTDXCZQRJF-OKILXGFUSA-N 291.395 1.240 0 50 CDAA COc1ccc(Cl)cc1NC(=O)N[C@@H]1CNCC[C@H]1O 299798287 RWCISFJPLJCOKE-GHMZBOCLSA-N 299.758 1.193 0 50 CDAA CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccccc1Cl 299789028 ZRFYSZDYQGKMOB-AAEUAGOBSA-N 281.787 1.378 0 50 CDAA CNc1nc(N2CCC[C@@H](N(C)C)C2)ncc1F 725272736 UKQGPBLESOYXMB-SECBINFHSA-N 253.325 1.188 0 50 CDAA Nc1nc(CCCNC(=O)c2cnc(N)s2)cs1 827597821 QWCFXXGQFDBCGM-UHFFFAOYSA-N 283.382 1.127 0 50 CDAA CCC1(CN[C@@H](C)CNS(=O)(=O)C2CC2)CCC1 822681482 MBIGKAXZLIONJU-NSHDSACASA-N 274.430 1.627 0 50 CDAA COCCOCC(=O)N(C)Cc1ccnc(C)c1 584897895 VZXVSRQTQPJFDI-UHFFFAOYSA-N 252.314 1.011 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1.258 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 1875305819 JEHBDMSDOAVUID-JXVKQMKBSA-N 285.290 1.742 0 50 CDAA C=CC(=O)NCC(=O)Nc1ccc2nc(C)c(C)nc2c1 1875371240 UTGKSHXHCJLMIC-UHFFFAOYSA-N 284.319 1.487 0 50 CDAA COc1ncc(CNCc2nc(-c3cccnc3)no2)cn1 952873395 WJNBAGDLMOEZDS-UHFFFAOYSA-N 298.306 1.220 0 50 CDAA CCNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 4537711 UIAMSPGZLUIFKZ-UHFFFAOYSA-N 270.354 1.579 0 50 CDAA CN(C(=O)N1C[C@H](N)C2(CCC2)C1)C1CCOCC1 1775962393 IZRYGWNBKGENQX-LBPRGKRZSA-N 267.373 1.030 0 50 CDAA O=C(CC1CC1)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565513419 ZWMMNGFWTCJYKO-STQMWFEESA-N 276.336 1.534 0 50 CDAA CC(C)(Cc1ccc(O)cc1)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 1588786389 RQXGBUHSEWBNEK-TXEJJXNPSA-N 291.347 1.940 0 50 CDAA CC(C)[C@@]1(C(=O)O)C[C@@H]1C(=O)NCc1cocn1 899773165 YMFLOFVNELTVFN-SKDRFNHKSA-N 252.270 1.038 0 50 CDAA O=C(N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)C1(O)CCC1 408208078 KLMWCRAWTIJIKZ-JHJVBQTASA-N 267.369 1.444 0 50 CDAA Cc1ncc(S(=O)(=O)NC(=O)C(C)(C)C)s1 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CC(C)COc1ncccc1C(=O)N1C[C@@H](C)[C@H](CO)C1 191822842 YYYYJVJCNHGIKT-OLZOCXBDSA-N 292.379 1.817 0 50 CDAA C[C@]1(C(=O)Nc2cccc3cnccc23)CNCCO1 710688994 XBQVQTVVSMYKEC-OAHLLOKOSA-N 271.320 1.552 0 50 CDAA C[C@H](NC(=O)c1cc(Cl)cn1C)c1nccc(=N)[nH]1 566555898 YPHROQHIMVLSBX-ZETCQYMHSA-N 279.731 1.372 0 50 CDAA CN(CC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12)Cc1ccccc1F 1074567160 ZNMMWGURJZHPAW-NWANDNLSSA-N 292.354 1.551 0 50 CDAA C[C@@](O)(CN1CCO[C@H](CCc2ccccc2)C1)C(=O)O 567509684 LQNVWPWHFARBQS-GDBMZVCRSA-N 293.363 1.156 0 50 CDAA CCOCCc1nnc(NC(=O)[C@@H](C)N2CCCC2)s1 1529107124 WNIFQDXJHNFDJY-SNVBAGLBSA-N 298.412 1.540 0 50 CDAA Cc1cc(C[C@@H]2CN(CCCC(C)C)C[C@H]2O)n[nH]1 1704297201 NCGGTVXJMGKJBY-UKRRQHHQSA-N 265.401 1.990 0 50 CDAA Cc1nc(-c2nc3ccccn3c2C)n(CC(=O)O)n1 1857709767 QIVLWXMFKIQDIN-UHFFFAOYSA-N 271.280 1.294 0 50 CDAA CCC[S@](=O)c1nc(Cl)c(N)c(Cl)n1 214490702 KDEUGJKURKSXBF-AWEZNQCLSA-N 254.142 1.883 0 50 CDAA COC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccn1 564116553 VDHJFJIUPRHKJT-UHFFFAOYSA-N 276.214 1.992 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cnn2cc(C)ccc12 1772711429 IGOWYCRZDVLTSJ-TZMCWYRMSA-N 289.335 1.176 0 50 CDAA Cc1cc(=O)[nH]c(Nc2ccc3c(c2)OCCO3)n1 5625860 BSZKDSKZYPLODN-UHFFFAOYSA-N 259.265 1.593 0 50 CDAA CCC(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 12150691 LVPYJAVFDZVYIF-GFCCVEGCSA-N 283.331 1.973 0 50 CDAA CC(C)NC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 12466399 YDJMWJTYYNBPDQ-CYBMUJFWSA-N 293.342 1.634 0 50 CDAA C=COCCN1CN(CCOC=C)CN(CCOC=C)C1 19325613 QYKYZMDESBXMFP-UHFFFAOYSA-N 297.399 1.259 0 50 CDAA Cc1cc(Cl)ccc1OC[C@H](O)CN1CCN(C)CC1 19781591 GJMGVZHQCMTAAE-CQSZACIVSA-N 298.814 1.636 0 50 CDAA COC(=O)c1cc(/C=C/C(=O)O)c(OC)cc1OC 5526546 QCXDXUQOIRUTLY-SNAWJCMRSA-N 266.249 1.588 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)Cc3ncc[nH]3)n[nH]c21 1857529055 IZJFOMKRQONKLR-BDAKNGLRSA-N 289.339 1.427 0 50 CDAA CN1CCC[C@H](n2ccnc2-c2ccc(C(N)=O)cc2)C1 1857684367 LGSZBRDEQJWPQM-AWEZNQCLSA-N 284.363 1.916 0 50 CDAA CCCN1CCC[C@H](n2ccnc2[C@H]2[C@H]3CNC[C@H]32)C1 1857723279 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Cc1nc(C2CN(C(=O)c3ccc(F)cc3)C2)no1 1848516048 YEUBXBPLUNTZQV-UHFFFAOYSA-N 261.256 1.757 0 50 CDAA CN(Cc1nnnn1C1CC1)c1ccc(C(=O)O)cc1 1775993583 GIKXKHKYPAVCHC-UHFFFAOYSA-N 273.296 1.343 0 50 CDAA CC(C)(C)c1ncc(CN2CC[C@H](C(N)=O)C2)s1 157183711 PDGDEIXCBQVOJZ-VIFPVBQESA-N 267.398 1.748 0 50 CDAA O=C(Cc1ccccc1F)N1CC[C@@H]2NCCC[C@@H]2C1 299803043 VEMFBRQWGDSILB-HIFRSBDPSA-N 276.355 1.969 0 50 CDAA CC[C@@H]1CN(c2cccc(C(=O)O)n2)[C@@H](C)CO1 403941520 NBJYQPMLLOGEBV-VHSXEESVSA-N 250.298 1.784 0 50 CDAA CCC1(CNS(=O)(=O)CC(C)(C)C(=O)OC)CC1 341487161 KBRJBJUVHOWOCD-UHFFFAOYSA-N 277.386 1.295 0 50 CDAA CCCOCC(=O)N1C[C@H](N)CC[C@@H]1C(F)(F)F 386205801 MATGRNGVAMCNOZ-RKDXNWHRSA-N 268.279 1.294 0 50 CDAA COc1cc(C)c(-c2ncc3c(ncn3C)n2)cn1 2100539578 OREYHESJYNQTEI-UHFFFAOYSA-N 255.281 1.742 0 50 CDAA Cc1ncn(C)c1C(=O)Nc1cccc2nn(C)nc12 2100556792 HTCVZAIRZFULKW-UHFFFAOYSA-N 270.296 1.263 0 50 CDAA C[C@@H]1CCNC[C@@H]1NC(=O)c1ccc(-c2cn[nH]c2)cc1 2325768559 YHTZXDXJYQUCLQ-ABAIWWIYSA-N 284.363 1.805 0 50 CDAA O=C(O)c1cccc(CN2CCO[C@@H](c3cc[nH]n3)C2)c1 2325773092 SAFPUMNZTZNNEB-CQSZACIVSA-N 287.319 1.681 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)c1cnc2c(c1)COC2 2325808226 GVJDMQGWDLAIPF-UHFFFAOYSA-N 288.332 1.515 0 50 CDAA C[C@]1(C(=O)Nc2cnn3cccnc23)CC(C2CC2)=NO1 2325810156 BKHUZYPBNCTIKP-CQSZACIVSA-N 285.307 1.613 0 50 CDAA C[C@H]1CN(C(=O)CCc2ccnn2C)c2cccnc2O1 121527585 VBDODULYWPSGLS-NSHDSACASA-N 286.335 1.562 0 50 CDAA Cn1c(CO)cnc1SCc1nnsc1Cl 169049 XGUJCLNKMGNGSO-UHFFFAOYSA-N 276.774 1.710 0 50 CDAA O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 28143 VAYRSTHMTWUHGE-AWEZNQCLSA-N 295.294 1.979 0 50 CDAA biogenic,in-vitro O=C(O)c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 289893 MEQHZOVQJQIZLB-UHFFFAOYSA-N 278.285 1.923 0 50 CDAA CCN1CCO[C@H](CC(=O)Nc2cc(C)cc(C)c2)C1=O 537628 WDMCSSWFZQNQQK-CQSZACIVSA-N 290.363 1.879 0 50 CDAA NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1569058 PDXFRYXZDLBGGJ-UHFFFAOYSA-N 275.544 1.799 0 50 CDAA CCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C 2217310 IWYSPQQLFGOSAN-UHFFFAOYSA-N 282.369 1.335 0 50 CDAA Cn1cccc(CN2CCc3ccccc3CC2)c1=O 2356143448 IGWRTMZQMOADQU-UHFFFAOYSA-N 268.360 1.986 0 50 CDAA COc1ncccc1CCN=c1nc(C)c(C)c(C)[nH]1 2356143934 ZODDVIANPUDJQO-UHFFFAOYSA-N 272.352 1.882 0 50 CDAA O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc2c[nH]nc2n1 2356145612 FHUUYEMNSDPUSU-MWLCHTKSSA-N 274.324 1.239 0 50 CDAA Cn1nccc1CN1CCC[C@@]12CCCN(C1CC1)C2=O 2356152553 PGCYOLGRYMWARV-INIZCTEOSA-N 288.395 1.540 0 50 CDAA O=C(c1ccn(C(F)F)n1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356166714 KTPPXQGAAGWFNF-MYJAWHEDSA-N 285.294 1.796 0 50 CDAA O=C(CSc1ncn[nH]1)Nc1cc(Cl)ccc1O 4385348 DONPUIFSKKCGIY-UHFFFAOYSA-N 284.728 1.895 0 50 CDAA CCn1cc(S(=O)(=O)NCc2ccccc2OC)cn1 6726694 OZNSXOZZIIBPFM-UHFFFAOYSA-N 295.364 1.390 0 50 CDAA C[C@@H](O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 225402502 NOHUUTPKLMJSPB-LLVKDONJSA-N 291.347 1.691 0 50 CDAA Cc1cc(C)cc(NC(=O)CN(C)S(C)(=O)=O)c1 22606461 IKABYAMRQRBVBJ-UHFFFAOYSA-N 270.354 1.133 0 50 CDAA CCCc1cc(CN(C)C(=O)Nc2ncn(CC)n2)n[nH]1 20202568 UBGWMXJQUCVWRP-UHFFFAOYSA-N 291.359 1.638 0 50 CDAA COC(=O)[C@H]1CCC[C@@H](OC)N1C(=O)OC(C)(C)C 116647832 SORPZCMBYZSZBY-NXEZZACHSA-N 273.329 1.922 0 50 CDAA CCCN1CCC(NC(=O)c2nc(C)c[nH]2)CC1 20562465 ZCGDHGQKIFBGCY-UHFFFAOYSA-N 250.346 1.322 0 50 CDAA CC(C)[C@H](CC(=O)O)NC(=O)Cc1cccc(O)c1 136231554 QYIRZGSUZWRXPT-LBPRGKRZSA-N 265.309 1.550 0 50 CDAA CC(C)(C)[C@@H](CC(=O)O)NS(=O)(=O)c1ccccc1 136733962 DUENERYLQUCPBS-LLVKDONJSA-N 285.365 1.854 0 50 CDAA CCOc1ccc(CNCCc2nnc[nH]2)cc1OCC 119129588 WWFVMFBBQISBBU-UHFFFAOYSA-N 290.367 1.934 0 50 CDAA CCn1nc(C)c(CNC(=O)CCCn2cncn2)c1C 67178584 UEFYAUHBKIOEIW-UHFFFAOYSA-N 290.371 1.208 0 50 CDAA O=C1CC[C@H](NC(=O)CCc2ccc(Cl)cc2)C(=O)N1 152182631 DOSSUOKQOZQLPO-NSHDSACASA-N 294.738 1.194 0 50 CDAA C=CC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 328594383 GWEBIOTXVQGWMY-UHFFFAOYSA-N 274.320 1.906 0 50 CDAA COc1ccc2c(c1)N(CC(=O)N(C)C)[C@H](C)C(O)=N2 328595774 FAKYWHJLCUAUJM-SECBINFHSA-N 277.324 1.580 0 50 CDAA CCc1cccc(C)c1N1C(=O)[C@H]2CN=C(O)CN2C1=O 328595612 ZDIZOBRYAKYCIX-LLVKDONJSA-N 287.319 1.665 0 50 CDAA Cc1nc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)no1 331664567 UDOZGUWWXSSSCT-NEPJUHHUSA-N 291.282 1.465 0 50 CDAA O=C(Cc1nc(-c2cccnc2)n[nH]1)Nc1nccs1 32501657 RJHVQNRKTAGDPJ-UHFFFAOYSA-N 286.320 1.504 0 50 CDAA CC[C@@H](SC)C(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 328635484 UVSJJBVHRSXXFI-NWDGAFQWSA-N 296.440 1.757 0 50 CDAA Cc1nc([C@@H]2CCCN2C(=O)N=c2cc[nH]cc2)no1 328983179 FMEKZKMTKOJIGH-NSHDSACASA-N 273.296 1.564 0 50 CDAA Cn1nccc1C1=CCN(C(=O)CCc2cnc[nH]2)CC1 329277158 JEZJVDZNJAOWTO-UHFFFAOYSA-N 285.351 1.392 0 50 CDAA Cc1cc(C(=O)N2CCN[C@H](C)C2)nc2ccccc12 155030383 WLBGDANJRVCBNG-GFCCVEGCSA-N 269.348 1.977 0 50 CDAA CCOC(=O)c1coc(N2CCC[C@@H](CCC(N)=O)C2)n1 77522710 PZHYNUQTNVDNQY-JTQLQIEISA-N 295.339 1.333 0 50 CDAA C[C@@H](NS(=O)(=O)CCC1CCC1)c1ccon1 329861138 XSONJTMCRKMMTA-SECBINFHSA-N 258.343 1.845 0 50 CDAA CCOc1cccc(Cn2cnc3c(c2=O)CCC3)n1 329898822 MNKJNJPXHIQGEX-UHFFFAOYSA-N 271.320 1.574 0 50 CDAA CC(C)n1ccc(CS(=O)(=O)[C@H]2CCOC2)n1 330111724 BIBARYMEHMMIIF-NSHDSACASA-N 258.343 1.168 0 50 CDAA CN(CC(=O)O)C(=O)[C@H]1CCCN(Cc2ccccc2)C1 153105796 DMILRNIDZCDGQL-AWEZNQCLSA-N 290.363 1.442 0 50 CDAA O=C(Nc1cnn(Cc2ccncc2)c1)[C@H]1C[C@]12CCOC2 363795380 GFLSSBGIEJDVQC-ZBFHGGJFSA-N 298.346 1.692 0 50 CDAA CN(C)C(=O)C1(CCCc2ccncc2)CCNCC1 77010600 GQIPERGGDLKWNE-UHFFFAOYSA-N 275.396 1.862 0 50 CDAA CC[C@@H](OC1CCCCC1)C(=O)N1CCO[C@@H](C(=O)O)C1 262153774 UIBLESWQKZQURE-CHWSQXEVSA-N 299.367 1.426 0 50 CDAA CCO[C@H](C(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1 262199771 ZVEIQZNFPCXGBT-OLZOCXBDSA-N 293.319 1.076 0 50 CDAA N[C@@H]1CC[C@H](C(=O)NCc2cnn3ccccc23)C1 72475280 YHRWAAIUIYPRLR-CMPLNLGQSA-N 258.325 1.078 0 50 CDAA Nc1ccc(NC(=O)Cn2ncc3ccccc32)cn1 237985714 HXZKQYKEMUHVHV-UHFFFAOYSA-N 267.292 1.652 0 50 CDAA CCc1nc(C)sc1CN1CC[C@](O)(CC)[C@H](O)C1 72481065 XJFVAUXNTAHCQO-ZIAGYGMSSA-N 284.425 1.722 0 50 CDAA CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)C1(NC(N)=O)CC1)C2 158433167 JZKSHNMQTWSIJR-RBZYPMLTSA-N 279.384 1.518 0 50 CDAA O=C1CC[C@@H](CCC(=O)N2CCOC3(CCCCC3)C2)N1 336207820 YRBZQOJDJZKPPV-ZDUSSCGKSA-N 294.395 1.607 0 50 CDAA CCOC(=O)[C@]1(CCN(CC)CC)CCCNC1=O 44125315 NABRMPNSFOSUKX-AWEZNQCLSA-N 270.373 1.178 0 50 CDAA O=C(CCC(F)(F)F)NCCSc1ncn[nH]1 222943154 TWNPNCUENDOBON-UHFFFAOYSA-N 268.264 1.356 0 50 CDAA CN(C(=O)c1cc(COC(C)(C)C)on1)[C@@H]1CCC[C@H]1O 288514953 QXYLNZKJYFOEGF-CHWSQXEVSA-N 296.367 1.975 0 50 CDAA Cc1ncccc1CNC(=O)N[C@H]1COCC1(C)C 527994601 PYFLWDNTKNESMA-LBPRGKRZSA-N 263.341 1.614 0 50 CDAA O=C(O)[C@@H]1C=CCN1C(=O)c1ccc(SCCO)cc1 426415259 DQPGXWLGODUCKF-LBPRGKRZSA-N 293.344 1.236 0 50 CDAA Cn1cc2ccc(CNC(=O)CCc3cn[nH]c3)cc2n1 530271761 BTUAEFLOBMSFJS-UHFFFAOYSA-N 283.335 1.545 0 50 CDAA Cn1cccc1C(=O)NC[C@@H]1CCCN1c1cccnn1 265417019 BRWYIMVYPROTCU-LBPRGKRZSA-N 285.351 1.214 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)CCc1ccnn1C 426726755 KHBKJNPSXKBWDP-SNVBAGLBSA-N 267.329 1.112 0 50 CDAA O=S1(=O)CC[C@H](N/C(O)=C2\N=NC3=C2CCC3)C1 334159240 WBUVGGLEYIBYEX-QYQSLSSCSA-N 269.326 1.394 0 50 CDAA CCCn1nccc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 616419222 DBSXDFLSCVLZSF-GXTWGEPZSA-N 276.384 1.459 0 50 CDAA CC(=O)N[C@@H]1CCN(C(=O)Nc2cc(C3CC3)nn2C)C1 96165681 PMXWJFSYCNILCD-LLVKDONJSA-N 291.355 1.040 0 50 CDAA Cc1noc(CN(C)C(=O)[C@H](CO)c2ccccc2)n1 616717363 LHFOIXQPGHWUOT-GFCCVEGCSA-N 275.308 1.113 0 50 CDAA Cc1nc(N[C@@H](C)c2n[nH]c(C)n2)c2nc(C)oc2n1 91586373 AJHRDZXCXYAIGL-YFKPBYRVSA-N 273.300 1.834 0 50 CDAA CC(C)[C@@H]1CN(Cc2nccn2C)C[C@H]1C(=O)O 92065707 QTBCOXZKQYOHFJ-WDEREUQCSA-N 251.330 1.209 0 50 CDAA CCN(C)C[C@@H]1CN(C(=O)c2sccc2C)C[C@@H]1CO 91585648 ROGSECNYLAWDDO-CHWSQXEVSA-N 296.436 1.689 0 50 CDAA CCc1ncnc(N(C)CC(=O)OC(C)(C)C)c1F 180118647 LMPHOIPEKOFSIN-UHFFFAOYSA-N 269.320 1.956 0 50 CDAA Cc1sccc1CN[C@H]1CCS(=O)(=O)[C@H]1C 293981789 RIHFCTXXGCDBLJ-ONGXEEELSA-N 259.396 1.722 0 50 CDAA NC(=O)c1noc(CN2CC[C@H]2c2ccc(F)cc2)n1 244605563 FAWFXIONUMGTLL-JTQLQIEISA-N 276.271 1.255 0 50 CDAA N[C@H]1CCc2nc(Br)c(Br)n2C1 252514111 BHDQXHQWBIZIOK-BYPYZUCNSA-N 294.978 1.682 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N)C[C@@H](C)S1 251610637 GWGZBXPEDSFHFS-JOGIVDDZSA-N 268.426 1.712 0 50 CDAA C[C@H](C(=O)O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 299751315 QHPYJQQTCGOMBW-CHWSQXEVSA-N 290.363 1.602 0 50 CDAA CN(C)CC[C@H](NC(=O)C1(C)COC1)c1ccccc1 534631785 BNQVFJDVXCPMKA-AWEZNQCLSA-N 276.380 1.832 0 50 CDAA COc1ccc(-c2nc(C(=O)O)nn2C)cc1OC 534586326 VUXOYPVDUCRCSO-UHFFFAOYSA-N 263.253 1.198 0 50 CDAA Cc1ccc(-c2nn3ccnc(O)c3c2CO)cc1 263616723 KEYQISAPEZABFX-UHFFFAOYSA-N 255.277 1.903 0 50 CDAA C[C@@H](NC(=O)C1(Cn2cccn2)CC1)c1cccnc1 534646497 XRZYLJGYZBRKBH-GFCCVEGCSA-N 270.336 1.936 0 50 CDAA NC(=O)[C@@H]1CCCN([C@H]2CCc3ccccc3C2)C1 299872784 KAFBBKJAOLFKCB-CABCVRRESA-N 258.365 1.741 0 50 CDAA Nc1nc(C(=O)NCC2(CN3CCCC3)CC2)cs1 299773314 DINHLGJBACZEEO-UHFFFAOYSA-N 280.397 1.331 0 50 CDAA Cc1ccc2[nH]c(CCNC(=O)C[C@H]3CCNC3)nc2c1 299778759 OAHZXMGFVTYDKD-GFCCVEGCSA-N 286.379 1.530 0 50 CDAA Cc1nncn1CCN1CCO[C@@H](CC(C)C)C1 821035084 HXMSPBZQTPVFFT-ZDUSSCGKSA-N 252.362 1.333 0 50 CDAA CN(C)c1nc(NC[C@@H]2CC(=O)N(C3CC3)C2)ncc1F 828247922 IWBWPBDYDINYSH-VIFPVBQESA-N 293.346 1.105 0 50 CDAA Cn1cc(CCCn2cnc3cccnc3c2=O)cn1 584902149 DGFBJJHPFGESII-UHFFFAOYSA-N 269.308 1.158 0 50 CDAA CCC1=NO[C@@H](C(=O)NCc2cc(C3CC3)n[nH]2)C1 584886872 ACYSKJYUHMNBLI-GFCCVEGCSA-N 262.313 1.458 0 50 CDAA Cc1nc([C@H](C)N2CCCC2=O)n(-c2cccnc2)n1 670449568 JUXQPDGKDIDMEZ-JTQLQIEISA-N 271.324 1.654 0 50 CDAA COCCn1cnnc1CN(C)Cc1ccc(C)s1 670453121 VNQROLVYFNORGL-UHFFFAOYSA-N 280.397 1.926 0 50 CDAA CC(C)(C)c1ccc(CNC(=O)NC[C@@H](O)CO)cc1 670440848 YOESNUSPZIBBSX-CYBMUJFWSA-N 280.368 1.137 0 50 CDAA CCOc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1F 268913757 OSJNRSWGPDCAAF-ZJUUUORDSA-N 281.283 1.561 0 50 CDAA Fc1cnc(NC2CCN(C[C@H]3CCOC3)CC2)nc1 269442860 BUKUHADYYZMYQJ-LLVKDONJSA-N 280.347 1.529 0 50 CDAA CCc1ccnc(C(=O)NC2(c3ncon3)CC2)c1 952995231 FNGIROMCTCDHSD-UHFFFAOYSA-N 258.281 1.446 0 50 CDAA CC[C@H](CNC(=O)[C@@H]1c2ccccc2N[C@@H]1C)C(=O)O 1875309970 WTKZGOFXJNAORB-BREBYQMCSA-N 276.336 1.811 0 50 CDAA COC(=O)c1ccc2c(c1)nc(NC(=O)C1CC1)n2C 1875307808 LKWIJAADPYIXKE-UHFFFAOYSA-N 273.292 1.708 0 50 CDAA O=C(C1CCCC1)N1CC[C@H](Nc2ccnc3ccnn23)C1 1875305082 GGOSAEVUNGRNTD-ZDUSSCGKSA-N 299.378 1.932 0 50 CDAA COCC(=O)N1CCC(CNC(=O)c2ccccc2)CC1 948650085 RLGOXMNWRGYNLS-UHFFFAOYSA-N 290.363 1.301 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C2CCCC2)C1 958528825 WBHHXFZINGEEKD-IUODEOHRSA-N 284.400 1.876 0 50 CDAA Cn1cccc1C(=O)NCc1nnc([C@H]2CCCOC2)o1 886085284 CIXXLOSVVYFZMA-JTQLQIEISA-N 290.323 1.232 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCc2cncn2C)C1 888079239 NWYVZDPOWMWSMY-CHWSQXEVSA-N 275.356 1.148 0 50 CDAA COC[C@H]1[C@H](NC(=O)CCc2ccsc2)[C@H]2CCO[C@H]21 1074545326 UMTYBXQRGHUWSQ-AYRXBEOTSA-N 295.404 1.847 0 50 CDAA CCOc1ccc(CN2CCC[C@@](O)(C(N)=O)C2)cc1F 1775958975 QZBUGLMVXANECT-HNNXBMFYSA-N 296.342 1.037 0 50 CDAA CC(=O)N[C@@H](Cc1c[nH]c2c(C)cccc12)C(=O)O 1775955506 ZYFFGFRKSFUZCH-LBPRGKRZSA-N 260.293 1.608 0 50 CDAA COc1cc(C(=O)Nc2c[nH]nc2C2CC2)ncn1 1775987892 LAEOIPQVBMKSAM-UHFFFAOYSA-N 259.269 1.338 0 50 CDAA CCOCCN1CCN(CCOCC(F)(F)F)C[C@H]1C 247070190 GNDUSBAKHWBMGX-GFCCVEGCSA-N 298.349 1.608 0 50 CDAA CC(=O)NCC1=CCCN(CCN2C[C@@H]3CC[C@H]2C3)C1 74481439 DZVWEFLMSNUKJA-ZBFHGGJFSA-N 277.412 1.239 0 50 CDAA O=C(O)[C@@H]1NCCc2cc(Br)ccc21 82048367 LOEFNPKFRHLLSR-SECBINFHSA-N 256.099 1.721 0 50 CDAA in-vitro CC1(O)CCN(c2nnc(-c3ccccn3)s2)CC1 185800717 KMTHECPARQJUBZ-UHFFFAOYSA-N 276.365 1.951 0 50 CDAA CCC[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100591034 YAHWKRARLTZRHT-AJBSGBCOSA-N 263.293 1.047 0 50 CDAA CCc1ncnc(N[C@@H]2CCc3[nH]ncc3C2)c1F 301960987 HUKPOGGBRBFRLC-SECBINFHSA-N 261.304 1.871 0 50 CDAA Cn1cc(C(=O)NCc2ccco2)c([C@H]2CCOC2)n1 275365469 XCOVNEVAEUEVFP-JTQLQIEISA-N 275.308 1.447 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2Cc2cccn2C)n1 275648397 UEKVYQLQOARREC-VXGBXAGGSA-N 262.313 1.024 0 50 CDAA CCc1nc(CN2CC[C@H](C(=O)O)c3ccccc32)n[nH]1 515672555 DSSRSOLEWJUYHW-NSHDSACASA-N 286.335 1.946 0 50 CDAA O=C1CN(Cc2ccc(F)cc2)C(=O)N1Cc1cc[nH]n1 170613941 FTGYTOKRJSIJAB-UHFFFAOYSA-N 288.282 1.513 0 50 CDAA CCN(c1ncnc2scc(C)c12)[C@H]1CCNC1=O 583130591 AXJAOPBQPHSNIJ-VIFPVBQESA-N 276.365 1.715 0 50 CDAA Cc1csc(=NCCNC(=O)c2c[nH]cc2C)[nH]1 585088295 UGCAQLVUVCRPFW-UHFFFAOYSA-N 264.354 1.352 0 50 CDAA CO[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2C)C1 191042895 DPGMGRKKCGKMDI-UONOGXRCSA-N 283.393 1.982 0 50 CDAA COc1ncccc1C(=O)N[C@@H]1COc2ccccc2C1 193382507 FCJGAYGSJLTNQU-LBPRGKRZSA-N 284.315 1.824 0 50 CDAA O=C(C[C@H]1CCCN1)Nc1ccc2c(=O)[nH]ccc2c1 662635583 MJNDMWQOBIHSMU-LLVKDONJSA-N 271.320 1.609 0 50 CDAA O=C(COC[C@@H]1CCCO1)NCc1noc2ccccc12 575069585 BKXMZLLLTYVFGD-NSHDSACASA-N 290.319 1.640 0 50 CDAA COc1cccc(OC2CN(C(=O)C(C)(C)OC)C2)c1 1506402437 NIWHNJIOPGEWRP-UHFFFAOYSA-N 279.336 1.710 0 50 CDAA CCOC(=O)C[C@@H](N)c1cc(OC)cc(OC)c1 2582559 PRMOXKMXQABQKA-GFCCVEGCSA-N 253.298 1.657 0 50 CDAA in-vitro O=C(c1ccsc1)N(CCO)Cc1ncc[nH]1 1704314439 ZMOZOKSVTIQXJJ-UHFFFAOYSA-N 251.311 1.106 0 50 CDAA Cc1ccc(CN2CC[C@H](C(=O)O)[C@H](O)C2)c(F)c1F 1704312184 MTABFLUGGKGUNF-WDEREUQCSA-N 285.290 1.541 0 50 CDAA C[C@@H](NC(=O)c1cc(C(C)(C)C)on1)[C@@H](C)C(=O)O 263420773 IUCXMJOLINPBAZ-HTQZYQBOSA-N 268.313 1.811 0 50 CDAA CC[C@H](NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)[C@@H](O)C(=O)OC 1615546914 IIQMGBSGSLMYAU-QHUBEEEXSA-N 283.368 1.241 0 50 CDAA CN(Cc1csc(C(C)(C)O)n1)C(=O)[C@@](C)(O)C1CC1 1615590045 IWYLAMYVXGKPOF-AWEZNQCLSA-N 298.408 1.490 0 50 CDAA CCn1nncc1CNC(=O)c1c(F)cc(OC)cc1F 1615614653 ITOVZMMCXPCKMU-UHFFFAOYSA-N 296.277 1.515 0 50 CDAA Cc1cc(O)nc(CN2C[C@@H](C)OC3(CCC3)C2)n1 1615046462 AMXJCBBGHIQRDN-LLVKDONJSA-N 263.341 1.634 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@H]2C2(O)CC2)on1 1772805258 KIXDTAFZIQBMMC-NSHDSACASA-N 250.298 1.041 0 50 CDAA OCC1(CO)[C@H]2CN(Cc3cccc4cnccc34)C[C@H]21 1772807771 ADJBDLFWDVAWCG-IYBDPMFKSA-N 284.359 1.267 0 50 CDAA O=C(Cn1cccnc1=O)N1CC[C@@H]1c1cccs1 1857686511 ZKGKXGDECSROEZ-SNVBAGLBSA-N 275.333 1.278 0 50 CDAA CCCOCCN1CCN(Cc2cn(C)c(C)n2)CC1 1857696337 WNEJVTAKRATBMZ-UHFFFAOYSA-N 280.416 1.273 0 50 CDAA CCN1C(=O)N(C)C(=O)C12CCN(Cc1ccoc1)CC2 14535541 FNIQXHFZRNOZFY-UHFFFAOYSA-N 291.351 1.528 0 50 CDAA O=C(Nc1ccncc1)c1c(O)[nH]c2ccccc2c1=O 18117009 YYWXRAJMLJYOBV-UHFFFAOYSA-N 281.271 1.881 0 50 CDAA CC1(C)CC[C@H](N2CCC(N3CCNC(=O)CC3)CC2)C1 1857675387 WBZSHHPWYNZNCB-HNNXBMFYSA-N 293.455 1.851 0 50 CDAA OC[C@@H]1C[C@H](n2ccnc2-c2cccc3cnccc23)CN1 1857680698 MTJIXYXUUAICBM-KBPBESRZSA-N 294.358 1.994 0 50 CDAA O=C([C@@H]1CCCN1)N1CCN(c2ccc(F)cc2)CC1 5571735 MWCWRPYPVNASRL-AWEZNQCLSA-N 277.343 1.226 0 50 CDAA CCN(CC)S(=O)(=O)c1cncc(Br)c1 15021150 DMCLRSISAMTJLN-UHFFFAOYSA-N 293.186 1.875 0 50 CDAA in-vitro C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)[C@H]1CCCO1 248481498 IDYYTJXAGAFCHE-AEGPPILISA-N 274.364 1.949 0 50 CDAA O=C(NCCO)c1cc2ccccc2n1CC1CC1 252492278 MHFBRNMGDPVDKA-UHFFFAOYSA-N 258.321 1.773 0 50 CDAA CCOC(=O)c1cccnc1N[C@H]1CC[C@H](O)CC1 253370682 UVPZEZRATGUEPC-XYPYZODXSA-N 264.325 1.974 0 50 CDAA CC(=O)N1CC[C@](C)(c2nc(-c3ccc(C)nc3)no2)C1 363944255 GYFMJQVSADBGBY-HNNXBMFYSA-N 286.335 1.950 0 50 CDAA CC(C)OC[C@H]1CN(C(=O)c2ccnc(O)c2)CCO1 372185661 KEJSBULJJKLPBY-GFCCVEGCSA-N 280.324 1.053 0 50 CDAA CC(=O)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 901908359 BBLMEHNUZINOLP-LLVKDONJSA-N 293.348 1.642 0 50 CDAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccco3)CC2)C1 1704299231 GDLRPBJWCLHEKN-AWEZNQCLSA-N 279.336 1.816 0 50 CDAA C[C@@]1(O)CCOC2(CCN(Cc3ccoc3)CC2)[C@H]1O 1704325056 CFZMEYSYFMWHCF-UONOGXRCSA-N 281.352 1.146 0 50 CDAA C[S@](=O)CCN1CCO[C@@H](c2ccccc2)C1 252492231 MGEBXJBXGXTXOD-DYVFJYSZSA-N 253.367 1.438 0 50 CDAA CC(C)C[C@H](CN)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 236758147 NFYBWFJPNXYVLH-BFHYXJOUSA-N 269.433 1.549 0 50 CDAA O=C(O)[C@H]1COCCN1C(=O)c1ccc2sccc2c1 262247793 YYOHBIXURJCFOH-LLVKDONJSA-N 291.328 1.827 0 50 CDAA Cn1ncnc1CNc1ccc(C(=O)NC2CC2)cc1 176452034 QAYKYAHYJXAEOT-UHFFFAOYSA-N 271.324 1.319 0 50 CDAA CCOC(=O)c1nn(CC(C)C)c2c1CNCC2 65381435 YUCUIGQAGAIHAS-UHFFFAOYSA-N 251.330 1.362 0 50 CDAA CSCC[C@@H](NC(=O)c1cc(C)nc(O)c1)C(=O)O 426374201 MALUNJCTNOSPBP-SECBINFHSA-N 284.337 1.032 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)C1CC(C)C1 643850977 BQTSEHHLZROQNQ-ZPPKWKGLSA-N 255.314 1.125 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)O)C2)co1 710136093 JHKWOXULWSEUOQ-SDBXPKJASA-N 251.282 1.771 0 50 CDAA C[C@H](CS(C)(=O)=O)NCc1ccc2nsnc2c1 821381928 NEZNREPDUZJRQT-MRVPVSSYSA-N 285.394 1.214 0 50 CDAA COc1ccc([C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]3C(=O)O)C2)cc1 2325778018 XRNMFQLJVYGWNV-WVWOOGAGSA-N 289.331 1.778 0 50 CDAA NCc1cc(C(=O)N[C@H]2Cc3cccc(O)c3C2)co1 2325795778 YBUNQHMRUTZQHL-NSHDSACASA-N 272.304 1.341 0 50 CDAA O=C(NCc1nccs1)c1cnc2[nH]cncc1-2 2325823519 VUPFZXWIWJFAQD-UHFFFAOYSA-N 259.294 1.296 0 50 CDAA C=CC(=O)N(C)CC(=O)NC[C@H](C)c1ncc(C)s1 860802290 AODUAZPPGZIDSS-VIFPVBQESA-N 281.381 1.316 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cccc(N(C)C)c2)C1 910216697 BSFPWKVJGOGYCO-HNNXBMFYSA-N 292.335 1.068 0 50 CDAA CC(C)(C)OC(=O)N1CCC([C@H](O)C2CNC2)CC1 953112339 ZLXONEHSKJQHET-LBPRGKRZSA-N 270.373 1.214 0 50 CDAA Cc1ccccc1OCc1nc2c3cnn(C)c3ncn2n1 463909 PQAVFPXYUPPTRG-UHFFFAOYSA-N 294.318 1.898 0 50 CDAA CC1(C)NC(=O)N(CCCOc2ccccc2CO)C1=O 2862662 QMIXACDVKAXDPR-UHFFFAOYSA-N 292.335 1.278 0 50 CDAA Cc1nc(NC(=O)c2ccn3ncnc3c2)ns1 2356166164 PVLNLYIUUUGAAE-UHFFFAOYSA-N 260.282 1.142 0 50 CDAA CSCC[C@H](NC(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)O 4089532 OVFIUQGJCHMKMT-AXFHLTTASA-N 288.413 1.880 0 50 CDAA biogenic O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccc(F)cn1 343276602 PHEJKYDJYGIBJI-FRRDWIJNSA-N 266.316 1.587 0 50 CDAA COc1cc2c(cc(C(=O)O)n2C)c(OC)c1OC 4413108 GJGNEPDUPVGUAR-UHFFFAOYSA-N 265.265 1.902 0 50 CDAA CC(=O)Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1 100492839 YGNYVUBWYPWWPZ-UHFFFAOYSA-N 269.264 1.043 0 50 CDAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(C)c1 55008592 WYGHCOXDEREONK-CQSZACIVSA-N 290.363 1.249 0 50 CDAA CCCNC(=O)c1c(O)c2ccccc2n(C)c1=O 100516319 DTHJHIKMMDXSAI-UHFFFAOYSA-N 260.293 1.384 0 50 CDAA O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[C@H]1C[C@H]1C1CC1 246621665 XVUWACCCFXDOPK-RWMBFGLXSA-N 291.372 1.677 0 50 CDAA Cn1cc(NC(=O)c2ccc(Cn3cccc3)cc2)nn1 20867232 RSHSFSWJIBUNOP-UHFFFAOYSA-N 281.319 1.917 0 50 CDAA Cc1ncc(C(=O)N(C)CC[C@@H](O)c2ccccc2)cn1 102541956 SRAUCBFZSIHFNR-OAHLLOKOSA-N 285.347 1.981 0 50 CDAA O=C(NC1CC1)c1cnc2sc3c(n2c1=O)CCCC3 10327216 MTVZKTUTTLTGTH-UHFFFAOYSA-N 289.360 1.527 0 50 CDAA Cc1cc(C)n(C[C@@H](C)Nc2ncnc3c2CCNC3)n1 67804290 XMVWBYRSJRTATP-LLVKDONJSA-N 286.383 1.436 0 50 CDAA CN(C)CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O 347743266 GARCWMGJPYFQTR-UMVBOHGHSA-N 268.401 1.480 0 50 CDAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1noc(COC)n1 77299707 XPZOHEROZZFJLQ-LLVKDONJSA-N 296.371 1.049 0 50 CDAA Cc1ccn2cc(C(=O)N3CCSCC3)nc2c1 20861257 OOWHJMZUEIWPRU-UHFFFAOYSA-N 261.350 1.832 0 50 CDAA Cc1ccc(C2(O)CCN(C(=O)[C@H]3CCOC3)CC2)nc1 67954853 NESQUJCOLBUXDY-ZDUSSCGKSA-N 290.363 1.237 0 50 CDAA CNC(=O)[C@@H](C)N(C)C1CCN(Cc2cccnc2)CC1 65435475 WPBRKXOJGJMCIB-CYBMUJFWSA-N 290.411 1.112 0 50 CDAA CCN1CCN(Cc2ccc(C(=O)OC)cc2)CC1 20302757 NDZKUSCLDSKIKX-UHFFFAOYSA-N 262.353 1.611 0 50 CDAA COc1cccc(COC[C@@H](O)CN2CCC[C@@H](O)C2)c1 229659312 WGLYLZOGPQVRLK-CABCVRRESA-N 295.379 1.029 0 50 CDAA CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 166228 QBRGIJYBQSSWND-NSHDSACASA-N 289.328 1.603 0 50 CDAA COc1ccccc1-n1c(Cc2c(C)n[nH]c2C)n[nH]c1=O 67726484 OYRATYKZFLQKSM-UHFFFAOYSA-N 299.334 1.500 0 50 CDAA COc1ccc2c(N)n(C(=O)c3cc(C)no3)nc2c1 253432677 MOGOVSFNMGGKKO-UHFFFAOYSA-N 272.264 1.612 0 50 CDAA Cc1nn(C)c2nc(-c3ccncc3)nc(NC[C@H](C)O)c12 72456697 XXQWXFNVKAPFSR-VIFPVBQESA-N 298.350 1.526 0 50 CDAA CC(C)Cc1nsc(N2CCO[C@H]3CCN(C)C[C@@H]32)n1 328590766 DLCBBSLPGPZETL-RYUDHWBXSA-N 296.440 1.646 0 50 CDAA CN1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1(C)C 328590417 DVQWFOQBAABFQV-OAHLLOKOSA-N 287.407 1.818 0 50 CDAA CCN1CCN(C(=O)Cc2ccoc2)C[C@H]1c1ncc[nH]1 328622176 IFGUVICXRZLKJC-ZDUSSCGKSA-N 288.351 1.451 0 50 CDAA CC1(C)C[C@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)O1 364900402 ZHMSQZZEYFXOTK-RYUDHWBXSA-N 291.395 1.908 0 50 CDAA O=C(c1cc(=O)[nH]o1)N1CCCC[C@@H]1c1ccccn1 216506458 WJHOLZTUBLATMX-LLVKDONJSA-N 273.292 1.730 0 50 CDAA CCC[C@]1(CO)CCCN(Cc2cncn2C)C1 215899297 RUNUIOZCWDRRKH-AWEZNQCLSA-N 251.374 1.795 0 50 CDAA Cc1nc(CC(=O)NC[C@@H](C)n2ccnc2)cs1 72427317 BIYFEDVPJHSUQA-SECBINFHSA-N 264.354 1.568 0 50 CDAA Cc1[nH]cnc1C(=O)N1CC(N2CCCC[C@@H]2C)C1 71748259 TUWULIGTICUAJD-JTQLQIEISA-N 262.357 1.417 0 50 CDAA COCCn1cc(CN2CC[C@@]3(CCN(C)C3)C2)cn1 366533278 HNMUTSIMYCFQAV-OAHLLOKOSA-N 278.400 1.057 0 50 CDAA COc1ccccc1Cn1cnc2nccnc2c1=O 32592889 PESNWBQCKFWDCY-UHFFFAOYSA-N 268.276 1.243 0 50 CDAA CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)CC(=N)O 332075576 WTJJGOOIHRPQLP-FXAINCCUSA-N 256.346 1.868 0 50 CDAA COc1cccc2c1C[C@@H](NC(=O)Cn1ccnc1C)C2 458074429 FFZIPMFNWGUPDU-ZDUSSCGKSA-N 285.347 1.484 0 50 CDAA CC1CCN([C@@H](C)CNC(=O)NCCC2(O)CCC2)CC1 241926469 UGKXNQOPZKTUHB-AWEZNQCLSA-N 297.443 1.711 0 50 CDAA O[C@@H]1COCCN(C2CCN(c3ccccc3F)CC2)C1 77517547 FFIYDZSTWYIQGN-AWEZNQCLSA-N 294.370 1.488 0 50 CDAA CC(C)c1nnc2ccc(NC(=O)N3CC[C@@H](N)C3)cn12 333934513 IOFIBYMHFFWFKC-SNVBAGLBSA-N 288.355 1.418 0 50 CDAA Cn1ccnc1[C@@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 334231553 URZWSMJENGGZRN-GFCCVEGCSA-N 299.378 1.583 0 50 CDAA Cc1ccc(-n2cc(C(=O)N3CCCNCC3)nn2)cc1 237828784 XKMGBDUYZBPEBC-UHFFFAOYSA-N 285.351 1.011 0 50 CDAA Cc1nc(C)c(C(=O)NCC[C@@H]2CCCN2C)o1 215426610 IAVPSGRUCJEEOD-NSHDSACASA-N 251.330 1.506 0 50 CDAA CC(C)(C(=O)N1CC2(CNC(=O)O2)C1)c1cccc(F)c1 496137823 OFEKNTMVPJCSCU-UHFFFAOYSA-N 292.310 1.424 0 50 CDAA O=C(O)C1(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 238105871 YYIPRNGDFNMSER-LBPRGKRZSA-N 293.294 1.590 0 50 CDAA CCC1(CO)CCN(C(=O)[C@@H]2CCCOCC2)CC1 336106580 RNMDEWTWKGGMNY-CYBMUJFWSA-N 269.385 1.814 0 50 CDAA O=C(c1c[nH]c2ncccc12)N1CCC(O)(C(F)F)CC1 336280413 HLPONPXSRBYLDM-UHFFFAOYSA-N 295.289 1.795 0 50 CDAA O[C@@H]1COCCN(Cc2cccc(-n3cccn3)c2)C1 77407244 WYCDOIKTTPJVQX-HNNXBMFYSA-N 273.336 1.065 0 50 CDAA Cn1nccc1[C@H]1OCC[C@@H]1NCc1cnn2ccccc12 284798517 SASNAPWABLUZIS-BBRMVZONSA-N 297.362 1.688 0 50 CDAA CCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1 132253647 JOSVOKJCSBKNPS-GFCCVEGCSA-N 296.392 1.044 0 50 CDAA CC(C)c1ccoc1C(=O)NC[C@@]1(O)CCO[C@@H]1C 287097447 OEPFDLYRJWBFPD-YGRLFVJLSA-N 267.325 1.673 0 50 CDAA OCC1CCN(CCNc2ncccc2Cl)CC1 88721902 AWFCBUFCVGOJJM-UHFFFAOYSA-N 269.776 1.851 0 50 CDAA COCCn1cc(CN[C@@]23C[C@H]2COC3(C)C)cn1 527767603 WMANYLBNUWPSOQ-JSGCOSHPSA-N 265.357 1.187 0 50 CDAA CCN1CCC[C@@H](NC(=O)[C@H]2OCCc3ccccc32)C1 178774597 YXBXLUHQZBDOJA-ZBFHGGJFSA-N 288.391 1.901 0 50 CDAA CC1=NO[C@](C)(C(=O)NCc2[nH]cc(C)c(=O)c2C)C1 426370274 CWGJNSJJQQITNG-AWEZNQCLSA-N 277.324 1.163 0 50 CDAA Cc1nc2ccccc2n1CC(=O)N1CC[C@H](C(=O)O)C1 178261723 HIEMADZOAHURNU-NSHDSACASA-N 287.319 1.278 0 50 CDAA Cc1cc(-c2nc3c(cnn3C)c(=N)[nH]2)ccc1F 426528133 XDPYSZHQMZECDA-UHFFFAOYSA-N 257.272 1.890 0 50 CDAA Cc1cc(NC(=O)[C@H]2CC(=O)N(CCC(C)C)C2)no1 40455980 OUTIHWUUZISVMX-NSHDSACASA-N 279.340 1.816 0 50 CDAA CC[C@@H](NC(=O)COCCOC)c1nc(C)c(C)s1 222472053 CHMKNLPAIKNLQS-LLVKDONJSA-N 286.397 1.990 0 50 CDAA CSCC[C@@H](NC(=O)c1ccn(C)c1C)C(=O)O 426613693 XCLGZZFTPMYCSL-SNVBAGLBSA-N 270.354 1.270 0 50 CDAA Cc1c[nH]c(CN2CC[C@H](N(C)C)[C@H](CCC(=O)O)C2)n1 91364669 QCPKEZFRABNKLW-OLZOCXBDSA-N 294.399 1.335 0 50 CDAA Cc1noc(C)c1CN1CCC2(CC1)OCCC[C@@H]2O 91793462 VLPWPODFJKUEKN-AWEZNQCLSA-N 280.368 1.797 0 50 CDAA CCC[C@H]1CN(CC(C)(C)N)C[C@@H]1NC(=O)c1ccco1 91829482 HSEJJHZHVZTDRA-STQMWFEESA-N 293.411 1.847 0 50 CDAA CCn1cc(CNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)cn1 333531592 QEKXJZUZXVJSPD-OLZOCXBDSA-N 292.383 1.469 0 50 CDAA COc1cccn(CC(=O)N(C)Cc2ccoc2)c1=O 95498804 PQSJSUNIXWRXAA-UHFFFAOYSA-N 276.292 1.109 0 50 CDAA C[C@H](NCC1OCCO1)c1ccc(N2CCCC2=O)cc1 180247550 HWUVTBHHCZUFBA-LBPRGKRZSA-N 290.363 1.837 0 50 CDAA CNC[C@H]1CCCN(C(=O)[C@@H](C)c2c(C)noc2C)C1 237299742 FWQMUKNNOSBFGJ-GXFFZTMASA-N 279.384 1.853 0 50 CDAA COc1cccc(F)c1C(=O)N1C[C@H](C(C)C)[C@@H](N)C1 91690071 ONWUCTZIDAPSRP-PWSUYJOCSA-N 280.343 1.890 0 50 CDAA O[C@]12CCNC[C@H]1CN(c1ccnc3ccccc13)CC2 95391695 DMMVAMQHWWBRAW-GUYCJALGSA-N 283.375 1.786 0 50 CDAA CC(=O)Nc1[nH]nc(Br)c1Br 95217970 FTBVIURQENOMOE-UHFFFAOYSA-N 282.923 1.893 0 50 CDAA Cc1nnc(-n2nc(-c3ccccc3)cc2N)nc1O 95618481 BNAHVLMRIZTKTO-UHFFFAOYSA-N 268.280 1.321 0 50 CDAA CC(=O)c1cnc(NCCCN2CCOCC2)nc1C 91381185 CIBQANHKYAETLP-UHFFFAOYSA-N 278.356 1.122 0 50 CDAA COc1cnc(CN2CC(N3CCCC[C@@H]3C)C2)cc1O 244700917 JWENPQXHSDDDPN-LBPRGKRZSA-N 291.395 1.854 0 50 CDAA O=C(NCCCn1cc(Cl)cn1)c1ccc[nH]1 244701094 KACFPSTYYOXVAP-UHFFFAOYSA-N 252.705 1.685 0 50 CDAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1ccnc(O)c1)CC2 253553069 UQUIBEFTKJEGLK-KBPBESRZSA-N 289.379 1.875 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NCc1ccc2cncn2c1 297153285 IWMWCXAJUQRRQM-UHFFFAOYSA-N 283.335 1.533 0 50 CDAA Cc1cc(C)c(C(=O)NCCCc2nc(C)no2)c(O)n1 253623815 MZDWFBQOVYCBHC-UHFFFAOYSA-N 290.323 1.458 0 50 CDAA COc1cccc(CCNC(=O)c2nonc2C)c1OC 252496046 PEJOGFXSURRLFV-UHFFFAOYSA-N 291.307 1.368 0 50 CDAA CN(CC[C@H]1CCCCO1)C(=O)C1CCNCC1 534670123 NZIYOWHOVWPZBT-CYBMUJFWSA-N 254.374 1.404 0 50 CDAA Cc1[nH]c2ccccc2c(=O)c1CC[C@@H](C)NCC(=O)O 534676831 KHXPZQRPPGCWQE-SNVBAGLBSA-N 288.347 1.832 0 50 CDAA CN1CCN(C)[C@H](CNC(=O)c2sccc2Cl)C1 286191871 XNSAZNOHYWIPCW-SECBINFHSA-N 287.816 1.377 0 50 CDAA O=C(NC[C@@H]1CCCN(c2cnccn2)C1)c1ccco1 374543353 KVUKGGQEWOKCHA-LBPRGKRZSA-N 286.335 1.716 0 50 CDAA Cc1cncc(CCc2nc(-c3ccn(C)n3)no2)c1 634669122 WOIXSATWIXMBGU-UHFFFAOYSA-N 269.308 1.959 0 50 CDAA Cc1cnccc1N1CCN([C@H]2CCNC(=O)CC2)CC1 568531455 DVVKOQVHOUSRFK-CQSZACIVSA-N 288.395 1.181 0 50 CDAA Cc1ncn(CCNC(=O)COCc2ccccc2)c1C 828026278 BFAVHTZNADRBOV-UHFFFAOYSA-N 287.363 1.833 0 50 CDAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCCC[C@@H]12 828321129 IXEMCQZKCHQACK-GJZGRUSLSA-N 297.358 1.590 0 50 CDAA CNCc1nc(-c2ccccc2)nn1CC(C)(C)O 824050892 PWRIONFMIDXBSE-UHFFFAOYSA-N 260.341 1.435 0 50 CDAA COc1ncc(CN(C)[C@H]2CCOC(C)(C)C2)cn1 824852029 OEZPFQNLQHTAAQ-LBPRGKRZSA-N 265.357 1.875 0 50 CDAA COCCN1CC[C@@H](CN(C)c2nc(C)cnc2C)C1 824412338 GJPKDRRXJIIHIJ-AWEZNQCLSA-N 278.400 1.498 0 50 CDAA CCOc1ccnc(N2CC[C@](O)(c3ccccc3)C2)n1 670443578 NNYCUMWWYGUYQV-MRXNPFEDSA-N 285.347 1.973 0 50 CDAA Cc1c[nH]c(CN2CCC[C@@H](c3nc[nH]n3)C2)c(C)c1=O 670446623 PNLJABHISXOMKK-GFCCVEGCSA-N 287.367 1.489 0 50 CDAA Cn1c(C(=O)NCc2cc3ccccc3o2)cnc1O 1290994223 GZHFHMODBVSNSA-UHFFFAOYSA-N 271.276 1.802 0 50 CDAA CCCCn1nc(C)nc1[C@H]1CCCN(CC(N)=O)C1 670457674 JCIXPYVUHPSBFS-LBPRGKRZSA-N 279.388 1.051 0 50 CDAA O=C(O)[C@H](CNc1ncc(Cl)cn1)C1CCOCC1 863734896 WHZSEZRVMFUJLO-SNVBAGLBSA-N 285.731 1.669 0 50 CDAA Cc1ccc(CC(=O)N2CC[C@H](c3n[nH]cc3N)C2)o1 864376946 ODXIPVDNPDLAMW-JTQLQIEISA-N 274.324 1.452 0 50 CDAA CCc1ncnc(NC[C@H](C(=O)O)C2CCOCC2)c1F 685940254 ARVYTDWSSZCHMT-JTQLQIEISA-N 297.330 1.717 0 50 CDAA FC(F)CN1CC[C@H](CN=c2ccc3ncc[nH]c-3n2)C1 952993062 AXDGXMDJFUVWAM-SNVBAGLBSA-N 293.321 1.397 0 50 CDAA Cc1nc([C@@H]2CCCN2C[C@H](O)Cn2cccn2)[nH]c1C 952994891 VZYDQTXMAVRPQY-KBPBESRZSA-N 289.383 1.421 0 50 CDAA O=C(CCc1ccccc1F)Nc1n[nH]c(CO)n1 1875296769 NWBKMEQRVJEXKG-UHFFFAOYSA-N 264.260 1.007 0 50 CDAA N=c1cc2n([nH]1)CCCN(c1ccc3nccnc3n1)C2 1875286981 PQARNOKQDPPXTA-UHFFFAOYSA-N 281.323 1.044 0 50 CDAA C[C@@]1(C(F)F)C[C@@H]1C(=O)N1CCc2c(O)nc(O)nc2C1 1875310613 VXPRDTMPMDAWSU-FUXBKTLASA-N 299.277 1.064 0 50 CDAA C=CC(=O)N(Cc1ccccc1)C[C@@]1(O)CCOC1 1875375495 CJDOOQRFNLXADB-HNNXBMFYSA-N 261.321 1.353 0 50 CDAA O=C(NCCO)c1cncc(-c2ccc3n[nH]cc3c2)c1 1875358714 HAFOJBAKZQLNMF-UHFFFAOYSA-N 282.303 1.347 0 50 CDAA CC1(C)[C@@H](NC(=O)c2cccn3nccc23)C[C@H]1CN 1875317878 LRRBMUDOSCYYHP-GWCFXTLKSA-N 272.352 1.438 0 50 CDAA CN(C)C/C=C/C(=O)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 1875375852 PVAPMTWHNNBERR-IDFWJGBYSA-N 280.290 1.066 0 50 CDAA CCc1nccn1CCNC(=O)[C@@H](C)Cn1cccn1 952981157 KOJABPQRDZDDKM-LBPRGKRZSA-N 275.356 1.095 0 50 CDAA CCO[C@H]1C[C@@](CO)(NCc2nn(C)cc2C)C1(C)C 877871579 SEDAGQCHAUSKJI-ZFWWWQNUSA-N 281.400 1.384 0 50 CDAA COCc1nc(C)c(C(=O)OCC2(O)CCC2)s1 888093684 RZFQNXSFGYPEHF-UHFFFAOYSA-N 271.338 1.670 0 50 CDAA Cc1nc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)nn1C 1412127404 OQMPNQWTIOMBSK-JTQLQIEISA-N 290.298 1.452 0 50 CDAA N[C@]12CCC[C@@H]1CN(C(=O)c1ccc(C3CC3)nc1O)C2 1775961273 MBENYALEBSBJEU-BZNIZROVSA-N 287.363 1.618 0 50 CDAA CCC[C@]1(CO)CCN(CCCn2ccnc2)C[C@H]1O 1529167018 DAJPKQSGNYUKGK-HUUCEWRRSA-N 281.400 1.119 0 50 CDAA Cc1nc(N2C[C@H]3CCN[C@H]3C2)nc2c1CCCC2 1565507335 RXHMMAHTBNOWKJ-RISCZKNCSA-N 258.369 1.462 0 50 CDAA CC(C)[C@H](CNc1cc(C(N)=O)ccn1)N1CCCC1 1506426342 GPOMYGRWIDRIDP-ZDUSSCGKSA-N 276.384 1.713 0 50 CDAA CCOC1CC(O)(CNC(=O)[C@H]2CCCO[C@@H]2CC)C1 408474560 DXNUSAFOLYQRKF-SBEAFCBVSA-N 285.384 1.238 0 50 CDAA O=C(O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3C=C[C@H]2CC3)O1 899847804 QUNFYUGZJZNUAK-SVNGYHJRSA-N 265.309 1.090 0 50 CDAA CCOC(=O)[C@@H]1CCC[C@H]1N1CCC[C@@H](NC(=O)CC)C1 222096077 OHNDJQAWTSRJAO-MGPQQGTHSA-N 296.411 1.709 0 50 CDAA Cc1ccc(O)c(NC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)n1 166057543 LIEMMLNYKMWHPA-SNVBAGLBSA-N 286.335 1.871 0 50 CDAA O=C(NCCc1ccccn1)c1ccn([C@H]2CCCNC2)n1 277125776 ZNEDQFOCZFYZBR-AWEZNQCLSA-N 299.378 1.175 0 50 CDAA COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C3CC3)C2)nn1 280608958 YHDDBGGPQSBEHD-SKDRFNHKSA-N 277.324 1.267 0 50 CDAA O=C([C@H]1Cc2ccc(Cl)cc21)N1CCO[C@@H]2CNC[C@@H]21 638352434 MCAOGWZUNCGWBU-MELADBBJSA-N 292.766 1.179 0 50 CDAA CCc1ccccc1S(=O)(=O)N1CCC[C@H]1CNC 193300354 CNKLJTMDHWAYSX-ZDUSSCGKSA-N 282.409 1.622 0 50 CDAA Cc1ccccc1Cc1nnn(CC[C@H]2CCNC2)n1 566103379 KHQKMXWZCURQPV-CYBMUJFWSA-N 271.368 1.572 0 50 CDAA Cc1nccc([C@H]2CCCN(c3nccn4cnnc34)C2)n1 678394031 PTEYRMCYQFOTDJ-LBPRGKRZSA-N 295.350 1.607 0 50 CDAA CC(C)NC(=O)Cn1ccn(-c2ccccc2Cl)c1=O 585090009 KJCCKXTVNRCYCN-UHFFFAOYSA-N 293.754 1.817 0 50 CDAA COC[C@@H](OC(=O)c1ccc(C2CC2)nc1C)C(=O)OC 585086557 PUTNSWQCOVQSAB-CYBMUJFWSA-N 293.319 1.612 0 50 CDAA CN(CCCO)Cc1ncsc1Br 585094380 UFXVKOQFSLZIME-UHFFFAOYSA-N 265.176 1.720 0 50 CDAA Cc1ccsc1CN(C)c1cc2nncn2c(N)n1 1529179407 AUVMZMPMCIYKFO-UHFFFAOYSA-N 274.353 1.713 0 50 CDAA CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CCC2CC2)C1 334172977 BOAZHILUWXHBMZ-KBPBESRZSA-N 286.441 1.532 0 50 CDAA C[C@@H](NC(=O)c1ccc(Cl)cn1)[C@@H](C)C(=O)O 133025214 JAJQNJDWCHBBOO-RNFRBKRXSA-N 256.689 1.574 0 50 CDAA CC=CC=CCN1CCN(C)[C@H](c2nc(C)no2)C1 1857529163 QNWZHMQKASHBJO-ZDUSSCGKSA-N 262.357 1.799 0 50 CDAA O=C(C[C@@H]1CC1(F)F)N1CC(N2CCCCC2)C1 1857684910 JWTTZKDFJQNDLD-SNVBAGLBSA-N 258.312 1.728 0 50 CDAA CC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](C(C)C)O2 1857697518 XFOFOWXIESATBD-CHWSQXEVSA-N 255.358 1.563 0 50 CDAA O[C@@]1(c2ccccn2)CCNC[C@@H]1N1C[C@H]2CC[C@@H](C2)C1 1616036815 YOIWURUJJVCUEA-NXNVCVFFSA-N 287.407 1.363 0 50 CDAA O=C(O)c1ccc2c(I)[nH]nc2c1 31776809 PTPFULUJKFPTCV-UHFFFAOYSA-N 288.044 1.866 0 50 CDAA in-vitro N[C@H]1CC12CC(NC(=O)c1coc(-c3ccccn3)n1)C2 1615546471 OLHCUFCAQPWHSN-RHJSQNMRSA-N 284.319 1.346 0 50 CDAA Cn1nnc(C(=O)N2CCCCC23CCCCCC3)n1 1615614670 JAMWAJKQUQQFOX-UHFFFAOYSA-N 277.372 1.929 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC[C@H](C2(O)CC2)C1 1772810729 KGFDSZUKIFUADC-ZDUSSCGKSA-N 277.368 1.496 0 50 CDAA C[C@@H]1[C@@H](c2ccccc2)N(C)CC[C@@]12NC(=O)NC2=O 5559814 FQTIIVLASVNVSP-IFUGULHKSA-N 273.336 1.278 0 50 CDAA O=C(CN1CCOCC1)Nc1ccc(Br)cc1 19204044 YXQVFLASUBJXTN-UHFFFAOYSA-N 299.168 1.720 0 50 CDAA COc1ccc(F)c(-c2nccn2[C@@H]2CNC[C@@H]2O)c1 1857673645 WXWOMCJXXXNHEF-OLZOCXBDSA-N 277.299 1.203 0 50 CDAA CCN1CN(C(=O)[C@](C)(O)CCc2ccccc2)CC1=O 225767987 FKHQQVOESUKSPL-MRXNPFEDSA-N 290.363 1.018 0 50 CDAA O=C(NC[C@H]1CCCO1)C(=O)Nc1ccccc1F 2944570 ZYNZBXROJWAFLJ-SECBINFHSA-N 266.272 1.059 0 50 CDAA Cc1noc(COC2CN(C(=O)C[C@@H]3C=CCC3)C2)n1 644204699 BJMLVOCXCKUXTA-LLVKDONJSA-N 277.324 1.462 0 50 CDAA CC(C)CNC(=O)CCCN1CC[C@H](c2cnn(C)c2)C1 659933270 COICGGYQODNKTF-AWEZNQCLSA-N 292.427 1.762 0 50 CDAA CC[C@H](O)CN(C)C1CCN(CCc2ccncc2)CC1 252486839 HPGYJNZMMIOOGC-KRWDZBQOSA-N 291.439 1.791 0 50 CDAA COCCOCCN1CCC2(CC1)C[C@](C)(O)CCO2 1704330787 GATRQDGZPGPLLR-CQSZACIVSA-N 287.400 1.045 0 50 CDAA Cc1ccc(F)c(CN2CCOC[C@@H]2CC(N)=O)c1F 930678363 WXSMHQPKUNFKQZ-JTQLQIEISA-N 284.306 1.349 0 50 CDAA CC1(C)CNC(=O)[C@H]1NCc1nnc(-c2ccccc2)o1 931665016 ULJXJBNAWXEIDE-GFCCVEGCSA-N 286.335 1.351 0 50 CDAA CN1CCC(OCC(=O)N2CCC(CCCO)CC2)CC1 935331725 SHMWAVHHGNOMML-UHFFFAOYSA-N 298.427 1.108 0 50 CDAA COC(=O)c1cc(NC(=O)C(C)C)cc(C(=O)OC)c1 29791 UYWOLZNANPZADP-UHFFFAOYSA-N 279.292 1.854 0 50 CDAA CC(C)N1C(=O)C[C@@H](N[C@H]2CC[C@@H](C)C[C@@H]2C)C1=O 221757059 DLUCUVVMQQWTKV-MROQNXINSA-N 266.385 1.937 0 50 CDAA O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 6731159 YUBVMBHFNZFPDE-MMVSWEMESA-N 251.326 1.746 0 50 CDAA Cc1nc([C@H]2CCCN2CCOC[C@H]2CCCO2)no1 257365522 IXANMQLMRHMUKT-CHWSQXEVSA-N 281.356 1.711 0 50 CDAA c1ccc(O[C@H]2CCN(Cc3cncnc3)C2)nc1 271177595 IEWHNXWNPXMIKT-ZDUSSCGKSA-N 256.309 1.525 0 50 CDAA O=C(C[C@H]1CCOC1)Nc1cc(C(=O)O)ccc1F 346015728 MCXDYAIQUAAVPE-MRVPVSSYSA-N 267.256 1.889 0 50 CDAA CO[C@H]1C[C@@H](CO)N(CCOc2cccc(C)c2)C1 344654560 JKTSOYMTCGTHJM-ZFWWWQNUSA-N 265.353 1.455 0 50 CDAA O=C1OC[C@@H]2CN(CCOc3ccc(Cl)cc3)CCN12 370557442 KUKVLYNWKLIAOA-LBPRGKRZSA-N 296.754 1.855 0 50 CDAA O=C(NC[C@H](C(=O)O)C1CCOCC1)C1CC=CC1 864145793 QYRQIZQYHKBPBB-LBPRGKRZSA-N 267.325 1.196 0 50 CDAA CC1(C)OC(=O)N(CCC(=O)Nc2ccccc2)[C@@]1(C)O 1424759 XGHWCMFQZLDOTK-HNNXBMFYSA-N 292.335 1.955 0 50 CDAA Cc1ccc(C(=O)c2cn([C@H](C)C(=O)O)nn2)cc1 2325862699 DRDXYFJZLAKILF-SECBINFHSA-N 259.265 1.463 0 50 CDAA Cc1cc(S(=O)(=O)N[C@H]2C=CC[C@H](C(=O)O)C2)c(C)o1 906001194 WWPIZMOCYMVLIG-QWRGUYRKSA-N 299.348 1.594 0 50 CDAA COc1ccccc1-n1cc2c(=O)n(C)c(=O)n(C)c2c1 206337 SIYGOSANZIQWPC-UHFFFAOYSA-N 285.303 1.037 0 50 CDAA Cc1ccc(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1170191 QYFLTWYPVSSONI-WDEREUQCSA-N 299.442 1.999 0 50 CDAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C 1605752 DJBPSNXKZLENEZ-KBPBESRZSA-N 292.379 1.260 0 50 CDAA biogenic O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1cn2cccnc2n1 2356141974 YHOXCCYFDXXJOV-MGCOHNPYSA-N 288.307 1.103 0 50 CDAA Cc1cc(C)c2c(=NC(=O)c3ncoc3C)[nH][nH]c2n1 2356150372 YVCIIKRDGCVZDY-UHFFFAOYSA-N 271.280 1.545 0 50 CDAA CN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 2890527 XECUFYAZAINMLO-UHFFFAOYSA-N 284.381 1.922 0 50 CDAA O=C1OC[C@H]2CN(Cc3nc4ccccc4s3)C[C@@H]12 2356151757 XUPSWUWACPZQFE-NXEZZACHSA-N 274.345 1.901 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(c1cc(C)[nH]c(=N)n1)C2 2356158997 HRLRGLJBLIDKDF-DOMZBBRYSA-N 276.384 1.983 0 50 CDAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccs1 4503281 XBAXXCPIHGBJFQ-NSHDSACASA-N 296.348 1.566 0 50 CDAA COC[C@@H]1CN(Cc2ncccn2)CC(C)(C)O1 343333587 KWUFFLBISHZNPQ-NSHDSACASA-N 251.330 1.102 0 50 CDAA COc1ccc(S(=O)(=O)n2cccn2)c(OC)c1 6725884 WPCGNJLRTLEEPJ-UHFFFAOYSA-N 268.294 1.137 0 50 CDAA Cc1cc(NC(=O)CCSc2nnc(N)s2)no1 10861601 UPQZKKKSTVOBGB-UHFFFAOYSA-N 285.354 1.538 0 50 CDAA COc1cc(CNC(=O)Cc2ccn(C)c2)cc(OC)c1 20534175 RRVZYZKZKTWJLV-UHFFFAOYSA-N 288.347 1.901 0 50 CDAA C[C@H]1OCC[C@]1(O)CNc1ncc(Br)cn1 228007738 GVTKDOLAEMHKMD-XCBNKYQSSA-N 288.145 1.191 0 50 CDAA NC(=O)[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc(F)cc1 55414128 IXUNMXVNAYMXFU-ZDUSSCGKSA-N 288.326 1.666 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1cc(CC(C)C)on1 65396220 HVEUJAORGSHWQU-RYUDHWBXSA-N 268.313 1.017 0 50 CDAA CCCN1CCN(CC(=O)Nc2cccc(OC)c2)CC1 20595173 JCXGNUXNCYDQDB-UHFFFAOYSA-N 291.395 1.661 0 50 CDAA C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(Cl)o1 113085560 KKZORXWJZGSBBW-YUMQZZPRSA-N 293.772 1.827 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1CNC1=NCCCCN1 521396963 WVUSBDGPCVXKRL-OLZOCXBDSA-N 253.390 1.767 0 50 CDAA CCCCc1nc(C)cc(NCCn2cnnc2)n1 65370043 NKYVYFDOPXAGQE-UHFFFAOYSA-N 260.345 1.831 0 50 CDAA C[C@H]1OCC[C@@H]1N(CCO)CCSC(C)(C)C 252493988 NIAQGSIKTZYRIL-NEPJUHHUSA-N 261.431 1.990 0 50 CDAA Cc1nc(C)c(Cc2nc(Cc3ccccc3)n[nH]2)c(=O)[nH]1 67433162 UCNCXGQXVSLWAV-UHFFFAOYSA-N 295.346 1.686 0 50 CDAA NC(=O)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65405480 PPZIJFKQYULRKH-LSDHHAIUSA-N 298.342 1.002 0 50 CDAA Cc1cccc(CNC(=O)C[C@@H](C)N2CCOCC2)n1 219827015 UEMKQPFEMQTVBV-CYBMUJFWSA-N 277.368 1.117 0 50 CDAA CC(C)[C@H](C)N(C)C(=O)c1cc(CN2CCOCC2)on1 67690635 VWNOBCMUAMULNY-LBPRGKRZSA-N 295.383 1.623 0 50 CDAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)C1CCCCC1 257365403 CALABSORWRZEEB-OLZOCXBDSA-N 286.441 1.817 0 50 CDAA CCOC(=O)[C@]1(COC)CCCN(c2nccc(C)n2)C1 253427212 KYAREFAJDWBVDM-OAHLLOKOSA-N 293.367 1.581 0 50 CDAA C[C@H](NC(=O)C1(C(=O)O)CC1)c1cccc(-n2cccn2)c1 154951460 OCOWMFJDCKHVAI-NSHDSACASA-N 299.330 1.914 0 50 CDAA CC(=O)N1CC(Nc2ccc(-n3ccnc3)cc2)=CC1=O 218457265 OYRGVQVGTRPJDJ-UHFFFAOYSA-N 282.303 1.557 0 50 CDAA C[C@H]1OCCN(Cc2noc(C(C)(C)C)n2)[C@@H]1C(=N)O 330591523 ZDSCGEMAOZZEEK-SCZZXKLOSA-N 282.344 1.492 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1cc(C)ncn1 328619103 FLNINYWIMJAFNR-AAEUAGOBSA-N 273.340 1.944 0 50 CDAA Cn1cncc1C(=O)N1CCN2CCOc3cccc1c32 329689818 VWRCXSPMIWYRRC-UHFFFAOYSA-N 284.319 1.279 0 50 CDAA O=C(c1cn[nH]c1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 375299396 HTCUOSGUHZWKBC-OAHLLOKOSA-N 282.303 1.146 0 50 CDAA Cc1ncoc1C(=O)N[C@H]1CN(C)C[C@@H]1c1ccccc1 332767696 HJNKVVNVHHPABZ-KGLIPLIRSA-N 285.347 1.811 0 50 CDAA CCOC(=O)CN(C(=O)[C@@H]1CCO[C@@H](C)C1)C(C)(C)C 240321566 FAKUBZIGIXOLBF-NWDGAFQWSA-N 285.384 1.992 0 50 CDAA O=C(O)Cn1ccc(NC(=O)CCc2ccoc2)n1 262931466 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298.390 1.849 0 50 CDAA C[C@]1(O)CCN(Cc2cc3ccccc3o2)C[C@@H]1O 96149124 IOOUCLVAGGDUJY-GJZGRUSLSA-N 261.321 1.750 0 50 CDAA COc1cc(-c2cnn(-c3nnn[nH]3)c2)c(Cl)cn1 96132115 OOVOWIAKXZRXMT-UHFFFAOYSA-N 277.675 1.109 0 50 CDAA Cc1cnc(N2CCC(O)(Cn3ccnc3)CC2)nc1 95353783 LUWNAYZABBJSBS-UHFFFAOYSA-N 273.340 1.013 0 50 CDAA C[C@H]1CN(C(=O)N[C@H]2C[C@H]2C)CCN1CC(F)(F)F 245654953 DFYVBHPDSATOEP-UTLUCORTSA-N 279.306 1.673 0 50 CDAA Cc1cn2c(=O)cc(CN3CCSCC3)nc2s1 244708237 KPWMABSLMGMTIU-UHFFFAOYSA-N 281.406 1.613 0 50 CDAA CNC(=O)[C@@H]1CCCCN1CCC(=O)Nc1cccnc1 244796084 RSLFWINVJFEKKO-ZDUSSCGKSA-N 290.367 1.011 0 50 CDAA Cc1cc(C)nc(N2CCC[C@H](CS(C)(=O)=O)C2)n1 298702719 HWHJYECDVPHNAV-LBPRGKRZSA-N 283.397 1.354 0 50 CDAA C[C@]12C[C@@H]3[C@@H]4[C@H]([C@H]1[C@H]42)n1c(=O)n(-c2ccccc2)c(=O)n13 253596518 SBRHQWZMKIXRKU-VZYPABODSA-N 281.315 1.182 0 50 CDAA CC[C@@H](OC)C(=O)Nc1cccc(-c2nnnn2C)c1 299327382 HNUSVYIAADTUDU-LLVKDONJSA-N 275.312 1.241 0 50 CDAA CCO[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 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Cc1cnccc1C(=O)NC[C@H]1CCO[C@@H]1c1cn[nH]c1 886072009 XILVWRKGWMXBDM-RISCZKNCSA-N 286.335 1.621 0 50 CDAA Cc1nc(C(C)(C)NC(=O)CCc2cccc(O)c2)n[nH]1 1775998903 KGIJWYUGYZKQQM-UHFFFAOYSA-N 288.351 1.803 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2nc(C)sc2C)[C@H]2CCO[C@H]21 1565510401 IPZDIFOVCZCSSX-RSLMWUCJSA-N 296.392 1.540 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](CO)C(F)(F)C1 95626806 GBFXSKJJISVIRA-MRVPVSSYSA-N 251.273 1.871 0 50 CDAA in-vitro C/C=C(\C)C(=O)O[C@@H](C)CNC(=O)c1cccnc1 222008810 AZJVEIKJYDNXOF-INJWIWPUSA-N 262.309 1.709 0 50 CDAA COC(=O)c1cc(N2N=C(C(=O)O)CCC2=O)ccc1C 1535641932 RQHARZJBLSHENP-UHFFFAOYSA-N 290.275 1.349 0 50 CDAA CC(C)c1ccc(C(=O)N2CCO[C@H]([C@H](C)O)C2)nc1 408470335 QQJFZGOKCNYPFN-FZMZJTMJSA-N 278.352 1.427 0 50 CDAA C[C@H](O)[C@H]1CN(C(=O)C[C@@H](C)c2ccc(F)cc2)CCO1 408520884 AAPQBYOWZHYWNL-TYNCELHUSA-N 295.354 1.928 0 50 CDAA O=C(O)C[C@@H]1CCCCN1C(=O)c1cncc(F)c1 165178358 DWFFHMWONMZSIF-NSHDSACASA-N 266.272 1.690 0 50 CDAA Cc1ccc(O)c(NC(=O)[C@H]2CCc3[nH]c(C)nc3C2)n1 166057660 LIEMMLNYKMWHPA-JTQLQIEISA-N 286.335 1.871 0 50 CDAA CC(=O)N1CC(c2nc([C@@H]3Cc4ccc(F)cc43)no2)C1 632219366 MJVYMQCNDYWFBM-CYBMUJFWSA-N 287.294 1.842 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cc[nH]n1 679549176 MMJBWJRAANUDLT-JLLWLGSASA-N 292.339 1.337 0 50 CDAA C[C@H](N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C 168519508 MCROZEKQFHBRJV-YCPHGPKFSA-N 289.423 1.703 0 50 CDAA CN(Cc1ncccn1)[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 276029319 RHHGQFSTGQLKCQ-CYBMUJFWSA-N 285.351 1.151 0 50 CDAA CCCCC[C@H](C)NS(=O)(=O)[C@H](C)C(=O)N(C)C 170613314 PAWYPFONHXJSKD-WDEREUQCSA-N 278.418 1.351 0 50 CDAA CCCC1(C(=O)O)CCN(CCN2CCCC2=O)CC1 692145821 XUOZDLMWFVXPSY-UHFFFAOYSA-N 282.384 1.576 0 50 CDAA CO[C@@H]1CC[C@@H](NC(=O)N2CCC(NC(C)C)CC2)C1 190374147 KDDMXSKWGSTFAB-ZIAGYGMSSA-N 283.416 1.726 0 50 CDAA CC(=O)Nc1nc(CN2[C@H](C)CC(O)C[C@H]2C)cs1 191260952 CPYHLSPLLUZASU-RKDXNWHRSA-N 283.397 1.835 0 50 CDAA CCc1nccn1[C@H](C)CC(=O)N[C@H]1CCCN(CC)C1 648771515 XRFSOABFIAXCGH-KGLIPLIRSA-N 292.427 1.997 0 50 CDAA C[C@@]1(C(F)F)CN(c2nc(N)nc3c2CCCC3)CCO1 664690242 QDISMIVMMPOFRZ-AWEZNQCLSA-N 298.337 1.798 0 50 CDAA O=C(O)[C@@H]1CCN1C(=O)C1(c2ccc(F)cc2)CC1 95511882 AIRZCZWXKHDMJP-NSHDSACASA-N 263.268 1.543 0 50 CDAA O=C([C@@H]1CCO[C@H]1C1CC1)N1CC(OC(F)F)C1 907583641 ZAVXBIDDYPCZAJ-ZJUUUORDSA-N 261.268 1.252 0 50 CDAA Cc1c[nH]ccc1=NCCNc1ncc(Cl)cn1 1506421516 ISIPNZGDUAWPFE-UHFFFAOYSA-N 263.732 1.779 0 50 CDAA Cc1ccn2c(NC(=O)c3ccc4c(c3)CCO4)nnc2n1 1506409456 HNMOBQWFGYSUKY-UHFFFAOYSA-N 295.302 1.620 0 50 CDAA CN1CCC(n2nccc2NC(=O)c2ccnn2C)CC1 1506401097 DOHHYCZDVWMWAW-UHFFFAOYSA-N 288.355 1.136 0 50 CDAA CCn1ncc(C)c1NC(=O)[C@H](CC(C)C)NC 1529144183 QSBIRIWSAWGVDN-NSHDSACASA-N 252.362 1.784 0 50 CDAA Ic1c[nH]nc1[C@@H]1CCCCN1 1535543857 WVOOLLBPWKFVTP-ZETCQYMHSA-N 277.109 1.829 0 50 CDAA O=C(NC1(CO)CC=CC1)c1ccc2c(c1)OCO2 1857681761 AITNKIPCSUNYIY-UHFFFAOYSA-N 261.277 1.226 0 50 CDAA O=C(O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 317843 MDFOXHGBFTXKQL-ZETCQYMHSA-N 284.109 1.887 0 50 CDAA in-vitro CNS(=O)(=O)c1ccccc1Br 384759 HSCKMNXETNFFAJ-UHFFFAOYSA-N 250.117 1.357 0 50 CDAA in-vitro CNCC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 237207969 LIGSAFKUJKEOGL-ONGXEEELSA-N 254.355 1.256 0 50 CDAA C[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)CC[C@H]1O 361603167 LSDYVSVSTPQXNH-ZYHUDNBSSA-N 252.362 1.236 0 50 CDAA COc1cc(F)ccc1CN1CC[C@H](CO)[C@@H](O)C1 1231600492 OJUUUYAQEMYFSQ-YPMHNXCESA-N 269.316 1.009 0 50 CDAA Cc1sc(=O)n(CC(=O)N[C@H](C)c2csnn2)c1C 1615590215 JLBZLWDITKENGV-ZCFIWIBFSA-N 298.393 1.256 0 50 CDAA Cc1nsnc1C(=O)NCc1[nH]nc2ncccc12 1772805031 GSKLXNIQVIPGTO-UHFFFAOYSA-N 274.309 1.048 0 50 CDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1c1ncc(Cl)cn1 1772707568 VCXPNNWGCPCITE-WCBMZHEXSA-N 266.732 1.330 0 50 CDAA Cc1nsnc1C(=O)N1CC(c2ccncc2)C1 1775983199 TWWRWEWIRIUEFT-UHFFFAOYSA-N 260.322 1.481 0 50 CDAA O=C(c1cccc2c1OCCO2)N1CCC[C@H]1C1(O)CC1 1772809025 JPLJJUBXHHFAAC-ZDUSSCGKSA-N 289.331 1.587 0 50 CDAA CN1C[C@H](CN2CCC(N3CCCC3)CC2)CCC1=O 1775980651 GIYZRLONNFEDGW-CQSZACIVSA-N 279.428 1.415 0 50 CDAA CSCC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 12021211 MRCYZEZZUHNVQS-ZDUSSCGKSA-N 292.404 1.309 0 50 CDAA Cn1ccnc1CN[C@@H]1CC(=O)N(C2CCCCCC2)C1 12316741 MBNKWIVNSJVOHB-CYBMUJFWSA-N 290.411 1.833 0 50 CDAA Cn1nnnc1SCCC(=O)NC1CCCCC1 12804488 GCDPKEUVIRYDPW-UHFFFAOYSA-N 269.374 1.141 0 50 CDAA CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 13583140 QSNKKQDWVNYEOR-UHFFFAOYSA-N 284.381 1.385 0 50 CDAA Cc1ccccc1OCC(=O)NCCCN(C)C 13613170 VAXXCZGPQAYDBY-UHFFFAOYSA-N 250.342 1.442 0 50 CDAA CN(C)c1ccc(C(=S)NCCN2CCOCC2)cc1 19841765 KGECHFDNRWLRNO-UHFFFAOYSA-N 293.436 1.350 0 50 CDAA CCn1ccnc1CN(C)[C@H]1CCOC2(CCNCC2)C1 1857676678 KXCFMRZGRFDPDL-AWEZNQCLSA-N 292.427 1.636 0 50 CDAA O=C(c1cnn2ccccc12)N1CC[C@@H]2NCCC[C@@H]2C1 1857680143 CIEVMTKMORXVJP-OCCSQVGLSA-N 284.363 1.548 0 50 CDAA NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 158475 UNJWOPBEKPMSGH-UHFFFAOYSA-N 262.309 1.521 0 50 CDAA in-vitro CC(C)N(CCOCCO)c1ncnc2c(F)cccc12 225778714 VTVZRAMSPKXHSV-UHFFFAOYSA-N 293.342 1.993 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc2c(c1)CCC(=O)N2 227289211 UNLYQUJEISMASP-GWCFXTLKSA-N 287.363 1.523 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1 520800586 YYJCZOHSEKWBCS-LLVKDONJSA-N 292.364 1.291 0 50 CDAA CC[C@H]1CN(CC)CCN1C(=O)NCc1cnc(C)o1 333578016 JQOCPHWKZPYYJQ-LBPRGKRZSA-N 280.372 1.609 0 50 CDAA Cn1ncc2c1CCCN(C(=O)C[C@@H](O)CC(C)(C)C)C2 333932074 GMRHLYFVHTUCAK-CYBMUJFWSA-N 293.411 1.882 0 50 CDAA Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCCO2)C(=O)O)c1 237671028 YKSCUORRZYTDRW-KGLIPLIRSA-N 291.347 1.534 0 50 CDAA COC(=O)NC(C)(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 128947584 FOJYVFKEUVPFBR-AEJSXWLSSA-N 284.356 1.051 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1CCOc1cccc(OC)c1 344372581 RSHUCUQMOMFXPU-XJKSGUPXSA-N 295.379 1.810 0 50 CDAA CC(=O)N1CCC[C@@H](c2nc(C)c(C(=O)O)s2)C1 252497084 PYNXVCWEAHMYOK-SECBINFHSA-N 268.338 1.876 0 50 CDAA CCc1nc(N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)ncc1C 253601858 XPONMPWFGXHMRU-NEPJUHHUSA-N 275.352 1.894 0 50 CDAA Cc1nocc1N1C(=O)N[C@@]2(CCc3ccccc32)C1=O 900238279 VMFHNRQMSXXSMT-OAHLLOKOSA-N 283.287 1.881 0 50 CDAA COC[C@H]1NC(=O)N(c2ccc(C)cc2Cl)C1=O 900211688 MHIWDHQCZURXCY-SECBINFHSA-N 268.700 1.720 0 50 CDAA Cn1ncc2c(O)nc(NC(=O)[C@@]3(C)C=CCC3)nc21 906056613 FWTDAHJMMPXQSR-ZDUSSCGKSA-N 273.296 1.364 0 50 CDAA C=CC(=O)N1CC(c2nc(-c3ccccc3)no2)C1 1120461092 ITUTXXSMFFBSJE-UHFFFAOYSA-N 255.277 1.848 0 50 CDAA OC[C@H](O)C1CCN(Cc2ccc(F)cc2F)CC1 1772712727 XGGYLEHTWYKHSJ-AWEZNQCLSA-N 271.307 1.530 0 50 CDAA Cc1c[nH]nc1CNC[C@@H]1CCCO[C@H]1c1cn[nH]c1 858299656 BASHMVICRPMSHK-SMDDNHRTSA-N 275.356 1.699 0 50 CDAA COC(=O)c1ccc(NC(=O)CN2CCCC2)cc1 55253 KTWAAVQGZWBOHQ-UHFFFAOYSA-N 262.309 1.508 0 50 CDAA CN(C)c1nc(CNC(=O)c2ccco2)cs1 219170700 XSHMSLKTLPCZEE-UHFFFAOYSA-N 251.311 1.732 0 50 CDAA C[C@H](O)CN(CCCc1ccccc1)C[C@@H](C)O 214300 ADYPLABQYHBYFG-OKILXGFUSA-N 251.370 1.683 0 50 CDAA CCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 401979 HNMXHYQNWNBSDG-UHFFFAOYSA-N 265.265 1.608 0 50 CDAA Cc1nnsc1CN(C)Cc1ccc(N(C)C)nc1 220631636 MDVDWDSAOGMRDL-UHFFFAOYSA-N 277.397 1.940 0 50 CDAA CN(CCc1cn[nH]c1)C[C@@H]1COc2ccccc2O1 20450027 VDOFZMUNPHVDGL-CYBMUJFWSA-N 273.336 1.724 0 50 CDAA C[C@H]1C[C@H](N(C)C(=O)CC2(N)CCC2)CCN1C 237560345 UMRJJWCVDVAISO-NWDGAFQWSA-N 253.390 1.199 0 50 CDAA C[C@@H](O)[C@@H]1CN(C(=O)c2cc(O)ccc2Cl)CCO1 408467364 LCMQJEXYDGCWFN-PELKAZGASA-N 285.727 1.267 0 50 CDAA COc1cc(NCC[C@@H]2CCCOC2)[nH]c(=N)n1 534579786 KIFPJVRRNLOEON-VIFPVBQESA-N 252.318 1.126 0 50 CDAA CC(C)[C@H](CNC(=O)CCc1cn[nH]c1)N(C)C 534662750 ZMSDEPQTEZPDLQ-LBPRGKRZSA-N 252.362 1.045 0 50 CDAA Cn1ccnc1CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 335917910 SGSWZDYQBYBEDH-ZIAGYGMSSA-N 275.327 1.867 0 50 CDAA CN(C(=O)c1ccc(O)cc1F)[C@H]1CC[C@H](O)CC1 336166193 SEOFKMBIDBECLO-MGCOHNPYSA-N 267.300 1.907 0 50 CDAA CCn1cnnc1CN(C)Cc1nnc(C)s1 670452391 KZVVKNIFMIUGRJ-UHFFFAOYSA-N 252.347 1.090 0 50 CDAA CSCCN1CCN(C(=O)c2cc(F)ccc2O)CC1 584889499 BJRRZBDONZOWCV-UHFFFAOYSA-N 298.383 1.652 0 50 CDAA Cc1cc(CN2CCC(N3CCCC3=O)CC2)n[nH]1 585566791 NFLFSMWIZJZVRG-UHFFFAOYSA-N 262.357 1.305 0 50 CDAA CCCn1cnnc1CN(C)CC[C@@H]1CCOC1 823031043 RKZSLBXUBFIFLV-GFCCVEGCSA-N 252.362 1.547 0 50 CDAA CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1 49476 ZARCISUCLKZFBV-UHFFFAOYSA-N 298.364 1.415 0 50 CDAA biogenic C[C@H](C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCCCC1=O 2325758593 XKFOYNJCKGAZLP-SYQHCUMBSA-N 278.396 1.940 0 50 CDAA Cn1cc(NC(=O)C[C@@H]2CO[C@H](CN)C2)c(C(F)F)n1 2325780343 ZKTJRNFRWAEMRC-SFYZADRCSA-N 288.298 1.050 0 50 CDAA Cc1cccn2c(=O)cc(N3CCO[C@@H](C4CC4)C3)nc12 2325789322 JWVPQIDAFAXGCX-CYBMUJFWSA-N 285.347 1.618 0 50 CDAA Cc1nnc([C@H]2CN(Cc3cn(C)nc3Cl)CCO2)o1 857040018 MEKYNBRMYWHHGD-SNVBAGLBSA-N 297.746 1.338 0 50 CDAA Cc1noc([C@@H]2COCCN2C(=O)c2csnc2C)n1 121124656 JHZSELHEPJBVFT-JTQLQIEISA-N 294.336 1.357 0 50 CDAA COc1ccc(CCN2C[C@H](C(=O)O)CC2=O)cc1OC 151473 LENAMXSEAKOBKB-LLVKDONJSA-N 293.319 1.179 0 50 CDAA aggregator COc1ccc(S(=O)(=O)n2cnc(C)c2)cc1OC 195697 NBKJTBNZPFOWDW-UHFFFAOYSA-N 282.321 1.446 0 50 CDAA Cc1ccc(N(C)C)cc1NC(=O)CCC(=O)O 227454 XWDMNJASPGMMDO-UHFFFAOYSA-N 250.298 1.864 0 50 CDAA O=C(CNC(=O)C1CCCCC1)Nc1nccs1 236248 SRBYELZWCFJNJK-UHFFFAOYSA-N 267.354 1.778 0 50 CDAA O=C(Nn1cnnc1)c1ccc(Br)s1 376641 TYFSGHQDPBJVHZ-UHFFFAOYSA-N 273.115 1.486 0 50 CDAA O=C1CCC([C@H](NC(=O)c2ccccc2)C(=O)O)CC1 402118 RLHRYJJOKQQNFP-ZDUSSCGKSA-N 275.304 1.629 0 50 CDAA Cc1cc(=N)[nH]cc1-c1ccc(NS(C)(=O)=O)nc1 2356151328 DJIMSSZEKLIYMH-UHFFFAOYSA-N 278.337 1.236 0 50 CDAA N=c1ccc(-c2cnc3c(N4CCCC4)nccn23)c[nH]1 2356158897 DGZNIKHLPZFALP-UHFFFAOYSA-N 280.335 1.804 0 50 CDAA CC[C@H](C)NC(=O)CN1C(=O)COc2ccccc21 4688224 SJKAJTMXFDJGDY-JTQLQIEISA-N 262.309 1.327 0 50 CDAA O[C@@H]1C[C@@H](c2ccc(F)cc2)N(c2ncnc3nc[nH]c23)C1 225512834 ULMBKBPEIVEGOK-NEPJUHHUSA-N 299.309 1.804 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)cc1 100027317 PRLATGWSLBXBHB-GFCCVEGCSA-N 276.292 1.583 0 50 CDAA biogenic,in-vitro O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCCn1ccnc1 100122176 FLQLGLDWTSRBJO-RYUDHWBXSA-N 261.325 1.448 0 50 CDAA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cnoc1C 345804298 ISMVCIYHLQVTMP-SOUVJXGZSA-N 280.368 1.999 0 50 CDAA CSc1cccc(CN[C@H](C)CN(C)CCO)c1 1506411711 KGMBAWPLNRNGAH-GFCCVEGCSA-N 268.426 1.811 0 50 CDAA CC(=O)Nc1ccsc1C(=O)NC[C@@H]1CCCN(C)C1 67694631 WSBXWTNVQLPWQY-NSHDSACASA-N 295.408 1.778 0 50 CDAA CC[C@@H](C(=O)N(C)c1cccnc1OC)N1CCCC1=O 331237346 HHYMJVBGEXOJQQ-NSHDSACASA-N 291.351 1.454 0 50 CDAA CSc1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 22606562 XKGXFMOGOQTYCP-UHFFFAOYSA-N 288.394 1.238 0 50 CDAA CC1(C)[C@H](NC(=O)NCCOCC2CC2)[C@@H]2CCO[C@H]21 230154519 GBBDMTYBGAKKNZ-YNEHKIRRSA-N 282.384 1.526 0 50 CDAA Cc1cccc2[nH]c(CNS(=O)(=O)CC(C)C)nc12 129988803 SCTGTTPBCVTIAW-UHFFFAOYSA-N 281.381 1.947 0 50 CDAA COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)O)cc1OC 252372639 KRWCATPNOOYSQM-INTQDDNPSA-N 293.319 1.602 0 50 CDAA O=C(c1cc2c(cn1)OCCC2)N1C[C@H](O)C2(CC2)C1 428199433 NBARFGWLKWNDAU-ZDUSSCGKSA-N 274.320 1.004 0 50 CDAA COC(=O)CCCN1C[C@@H](O)C[C@H]1c1cccc(F)c1 281894677 QFRCSYHMLNCSRO-KBPBESRZSA-N 281.327 1.887 0 50 CDAA CN1C(=O)CCS(=O)(=O)[C@H]1c1ccc(Cl)cc1 133 WEQAYVWKMWHEJO-NSHDSACASA-N 273.741 1.616 0 50 CDAA biogenic,world CC(C)(C)CNCc1cn(CC(F)(F)F)c(=O)nc1O 922495250 FZMQJNZVIFFZGP-UHFFFAOYSA-N 293.289 1.647 0 50 CDAA C[C@H](NC(=O)CCCOc1ccccc1)c1nc(=O)[nH][nH]1 215204785 ASIVXFIIESFMLT-JTQLQIEISA-N 290.323 1.134 0 50 CDAA Cc1cc(-c2nc(-c3ccc(N(C)C)nc3)no2)n[nH]1 356220797 HYFRZMSFQPHZLJ-UHFFFAOYSA-N 270.296 1.896 0 50 CDAA CNC(=O)[C@@H]1CCN(C(=O)c2ccc(F)c(OC)c2)C1 218962992 BGQCYXYVXCXPQI-SNVBAGLBSA-N 280.299 1.042 0 50 CDAA C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCNC[C@H]1C 124910427 ICOMDHXXJVIDRB-JTNHKYCSSA-N 260.337 1.371 0 50 CDAA Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc(C(N)=O)cc1 282583742 WFUMDCGKWHKUBW-CYBMUJFWSA-N 298.346 1.326 0 50 CDAA COc1nccc(NC(=O)NCC2CCOCC2)n1 282802440 ZLRMLPFUZMBOOI-UHFFFAOYSA-N 266.301 1.033 0 50 CDAA N[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCC(c2ncc[nH]2)CC1 72433628 RBQKIODPZJDGFZ-RQJABVFESA-N 288.395 1.489 0 50 CDAA CC1CCN(C(=O)c2ccc(N(C)[C@@H](C)CO)nc2)CC1 282898812 TYVZNJQTIMWWSP-ZDUSSCGKSA-N 291.395 1.771 0 50 CDAA c1cn(-c2ccc(-n3cnnn3)cc2)c(C2CC2)n1 71755342 MVKCYLJLLRHUFO-UHFFFAOYSA-N 252.281 1.725 0 50 CDAA Cc1nnc(NC(=O)[C@@](C)(O)C2CCC2)n1C1CC1 487791620 YPBQPAPGYCMPFK-ZDUSSCGKSA-N 264.329 1.411 0 50 CDAA Nc1cccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)n1 215052070 FLYLVBXMWCZBGU-NSHDSACASA-N 291.351 1.122 0 50 CDAA Cc1ccc(OCCNC[C@]2(O)CCCNC2)cc1C 72419084 DTTXRRYGPDNSJS-INIZCTEOSA-N 278.396 1.386 0 50 CDAA COc1cc(CNC(=O)[C@@H]2C[C@H]2C)ccc1C(=O)O 237350386 RWDYDCPSZUKMMB-LDYMZIIASA-N 263.293 1.666 0 50 CDAA OCCOc1cncc(N[C@H]2COc3ccccc32)n1 378057356 QBKFZMZKCHGPFI-NSHDSACASA-N 273.292 1.393 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)[C@@H]1CN 237441726 CNQDNROHWGWBMM-IUODEOHRSA-N 299.378 1.467 0 50 CDAA CCc1ccc([C@H](CO)CN2CCOCC2)nc1 32602639 MCVPHOHCFXBYEG-ZDUSSCGKSA-N 250.342 1.052 0 50 CDAA CCO[C@H]1CN(c2noc(-c3ccccc3)n2)C[C@@H]1O 219225501 PXJAERLEJOQLOE-RYUDHWBXSA-N 275.308 1.323 0 50 CDAA CC1(C)CNCC[C@@H]1NC(=O)c1cc(F)cc2nc[nH]c12 334679319 ORAIXAJNZFBTRB-LBPRGKRZSA-N 290.342 1.820 0 50 CDAA COC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(C)o1 262344215 ABVLQQNDWLPEPH-GUBZILKMSA-N 267.281 1.112 0 50 CDAA CN(CC(=O)NCC[C@@H]1CCOC1)Cc1cccnc1 219180995 BVBYCJOVAVMBNG-CYBMUJFWSA-N 277.368 1.056 0 50 CDAA Cc1c[nH]cc1C(=O)N1CC[C@@]2(CCCN(C)C2)C1 336357133 GHSUQQYGYQBLQL-OAHLLOKOSA-N 261.369 1.881 0 50 CDAA Cc1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)c(C)c1 284487156 CINYOZIWGJDNDB-OCCSQVGLSA-N 262.353 1.378 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)[nH]n1 71748070 FFWXGUWSECNEAA-LLVKDONJSA-N 290.367 1.239 0 50 CDAA CCc1ccccc1CC(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 284625594 POFNMFNVPGWORF-BXUZGUMPSA-N 274.364 1.371 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1Cc1cc(OC)cc(OC)c1 284621296 RVNSJTAICYKCNK-BBRMVZONSA-N 295.379 1.940 0 50 CDAA COCCC1(CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 240707708 HPYLQRIXSRQPGQ-YNEHKIRRSA-N 296.411 1.916 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N1CCC[C@@](O)(CO)CC1 72121538 XORNUYANOHAORP-HNNXBMFYSA-N 297.782 1.998 0 50 CDAA N[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2F)C[C@H]1O 82115014 PYOITKMNJPNHFL-VXGBXAGGSA-N 292.276 1.738 0 50 CDAA Cc1nnc(SCCCNc2ncncn2)s1 223763071 PZRJEYLMRPRCMK-UHFFFAOYSA-N 268.371 1.626 0 50 CDAA Cc1ccc2nc(C(=O)N3CCC[C@@H](O)CC3)c(F)n2c1 426545113 SLXCRAUGYMBZPA-LLVKDONJSA-N 291.326 1.769 0 50 CDAA Cc1cc(C)n(CC(=O)NCCc2cn3ccccc3n2)n1 46796200 UVZIWPXVGYZLPU-UHFFFAOYSA-N 297.362 1.507 0 50 CDAA O=C(NCc1ccn2ccnc2c1)N[C@@H]1CCCOC1 177959019 GVOAEDMVHMIIFV-GFCCVEGCSA-N 274.324 1.313 0 50 CDAA Cc1ccc2sc(CN3C(=O)CN(C)C3=O)nc2c1 530097013 UIQIONVYTBJBOL-UHFFFAOYSA-N 275.333 1.999 0 50 CDAA CC(C)c1nccc(C(=O)N2CC=C[C@@H]2C(=O)O)n1 426420270 UMOARXMJUASHKG-SNVBAGLBSA-N 261.281 1.065 0 50 CDAA COc1nccnc1-c1ccc(C(=O)N[C@H](C)CO)cc1 426512316 SEPPWSWNYLGXPI-SNVBAGLBSA-N 287.319 1.263 0 50 CDAA COC(=O)N[C@@H](C)C(=O)NCCCc1nc(C)cs1 223364703 NOOXEKZTKZHOST-VIFPVBQESA-N 285.369 1.245 0 50 CDAA COC(=O)c1ccc(/C=C/c2nc3cnccc3c(=O)[nH]2)o1 178769302 MLNGSTSTNWHJRB-HWKANZROSA-N 297.270 1.868 0 50 CDAA CCN(C(=O)Cc1cccc2ccccc12)[C@H]1COC[C@@H]1O 223436720 NLOVBKCXFJMOOR-IRXDYDNUSA-N 299.370 1.991 0 50 CDAA CCN(Cc1c(OC)ccc(F)c1F)[C@H]1COC[C@@H]1O 97527308 HKUHPNVLQNCOHD-RYUDHWBXSA-N 287.306 1.555 0 50 CDAA CCO[C@H](CC)CNC(=O)c1ccc(CN(C)C)o1 97301281 HCCZIEHTGFJPOK-LLVKDONJSA-N 268.357 1.886 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1Nc1nc2c(s1)c(C)nn2C 96165204 GLFMPTVFPGTBLZ-UWVGGRQHSA-N 295.412 1.469 0 50 CDAA CCc1noc([C@@H]2CC(=O)N(Cc3ccccn3)C2)n1 95369693 RVILJYDZMRSSSQ-SNVBAGLBSA-N 272.308 1.543 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)C[C@H]2OCC[C@H]21 97758971 IXRUMBAPWZUQAD-IVZWLZJFSA-N 271.313 1.486 0 50 CDAA CS(=O)(=O)C1(C(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)CCC1 333980901 ANUABVGVMPXLIB-STQMWFEESA-N 297.420 1.601 0 50 CDAA Cc1c(F)cccc1CN1CCOC[C@H]1CC(=O)O 97288821 YKHPXLAPOPQUNQ-GFCCVEGCSA-N 267.300 1.810 0 50 CDAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3C[C@@H](O)CO3)c2c1 91459443 DEGTXAHHJKFTOX-GFCCVEGCSA-N 288.347 1.770 0 50 CDAA C[C@@H]1CN(CCc2nccn2C)CC[C@@]1(O)C1CCC1 91848947 UXJJKVRSZZLVOW-CJNGLKHVSA-N 277.412 1.836 0 50 CDAA CCCO[C@@H]1CCCN(c2ncncc2C(=O)O)C1 95356235 PBMXXKIMXXKHPT-SNVBAGLBSA-N 265.313 1.570 0 50 CDAA O=C(NC[C@H](O)[C@@H]1CCOC1)c1ccnc2ccccc12 522977424 FAHQUEWCXHEJHK-ABAIWWIYSA-N 286.331 1.362 0 50 CDAA CN1C[C@H](C(=O)Nc2ccc(O)c(Cl)c2)CC1=O 182868230 DEUWJCLDOODCEK-SSDOTTSWSA-N 268.700 1.462 0 50 CDAA C[C@H](C(=O)NCc1cccnc1N)N(C)C1CCCCC1 534652474 ULSFBEMLLSLRIP-GFCCVEGCSA-N 290.411 1.933 0 50 CDAA CSCC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 824881596 RZGLXIUMLNWFNX-UHFFFAOYSA-N 278.377 1.809 0 50 CDAA CSCC(=O)N[C@H](CN1CCCC1)C(C)(C)C 584898733 LEPGATPKKUJSEV-LLVKDONJSA-N 258.431 1.976 0 50 CDAA CSCC(=O)N(C)C[C@@H]1CCN(CC(C)C)C1 584902932 JGBJWMWMNUIUAH-LBPRGKRZSA-N 258.431 1.786 0 50 CDAA CCN(C)C1(CNc2cc(O)ncn2)CCCC1 584887056 WFDFCVGRGBUDAO-UHFFFAOYSA-N 250.346 1.859 0 50 CDAA CN1Cc2ccc(CN(C)C(=O)c3cnn[nH]3)cc2C1 584897198 CRIZRZYCPKUCQR-UHFFFAOYSA-N 271.324 1.022 0 50 CDAA CC1=C(c2ccccc2)[C@H]1C(=O)NCc1nc(O)n[nH]1 670435263 QHRVYIFFQWWTOG-LBPRGKRZSA-N 270.292 1.230 0 50 CDAA Cc1nnc(CN2CCOc3ccc(CO)cc3C2)s1 670462242 RSNIRYGSQDUGBA-UHFFFAOYSA-N 291.376 1.733 0 50 CDAA Nc1c[nH]nc1[C@H]1CCN(C(=O)CCc2ccoc2)C1 864384154 IBYVIAQGYVOLKZ-NSHDSACASA-N 274.324 1.534 0 50 CDAA Cc1ccn2cc(CNC(=O)CCCn3cncn3)nc2c1 670433958 AKOUKDDVRTYBIB-UHFFFAOYSA-N 298.350 1.331 0 50 CDAA O=C(NC1CCS(=O)(=O)CC1)[C@H]1CCc2ccccc21 591432803 WXTARBHBFLDJGB-AWEZNQCLSA-N 293.388 1.410 0 50 CDAA C[C@H]1NCCC[C@H]1c1ccc(NS(C)(=O)=O)cc1 757215132 VAGOQANJCNJSJX-ZWNOBZJWSA-N 268.382 1.914 0 50 CDAA CC(C)CN1CCC[C@@H]1C(=O)N1CCO[C@@H]2CCC[C@@H]21 952848917 LDXIIKWEEDYBOK-RRFJBIMHSA-N 280.412 1.887 0 50 CDAA CC(C)CN1C[C@H](C(=O)N2CCCSC2)CC1=O 952877555 RHYFPQYCHZODOY-LLVKDONJSA-N 270.398 1.414 0 50 CDAA CCc1ccnc(C(=O)NC2(c3ncon3)CCC2)c1 952995247 GAJFHDJBFQZZGE-UHFFFAOYSA-N 272.308 1.836 0 50 CDAA CC(C)c1cccc(CC(=O)N2CC(OCC(N)=O)C2)c1 1875274482 BUJHJAYZNLMWFU-UHFFFAOYSA-N 290.363 1.065 0 50 CDAA CC(C)(C)[C@H]1CCN(c2cccc(S(N)(=O)=O)n2)C1 1875269406 SLWVVCQZWWTMAE-JTQLQIEISA-N 283.397 1.601 0 50 CDAA Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H]2C[C@H]2C)n1 1457228076 RPXOUWDOGOZCAM-LPTSXCQYSA-N 290.367 1.127 0 50 CDAA N[C@@H](c1ccc(F)cc1)C1(O)C[C@@H]2CC[C@H](C1)N2 958528636 XWKQJIPATCOGAA-WJLOJVBCSA-N 250.317 1.471 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2ccncc2s1 889187599 BJWZPGUYRHKKLJ-GHMZBOCLSA-N 292.360 1.830 0 50 CDAA CNC[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1F 133204239 GVMHEUFNLPMGNK-SNVBAGLBSA-N 290.335 1.337 0 50 CDAA CCc1nc(CN2CCC[C@H]2c2ccc(N)nn2)no1 1775959822 ZZNRVBZHHYMRJC-JTQLQIEISA-N 274.328 1.341 0 50 CDAA CC(C)(C)OC(=O)NC1(c2nccc(C(=O)O)n2)CC1 1775954897 UMVMELAAHPSVFA-UHFFFAOYSA-N 279.296 1.689 0 50 CDAA NC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)cc1 1775997679 JPZVHWRTVVYCQK-CYBMUJFWSA-N 284.319 1.167 0 50 CDAA CC[C@](C)(CC(=O)O)C(=O)N[C@@]12CCCC[C@@H]1NC(=O)C2 899855099 BSQDTZYGQMRWCM-COLVAYQJSA-N 296.367 1.195 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 79057792 TXCCTNIYGSOUBI-CYBMUJFWSA-N 254.330 1.524 0 50 CDAA in-vitro Cc1nnc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)s1 275648329 YILQTUXOSVNRHT-VHSXEESVSA-N 293.352 1.296 0 50 CDAA CN1CCN(C(=O)c2ccoc2)C[C@@H]1c1nccn1C 276499361 BRTXRMUZQLRGQX-GFCCVEGCSA-N 274.324 1.142 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)C2CC2)C12CCOCC2 170083118 OZSWBFHIBBHKNS-VXGBXAGGSA-N 253.342 1.487 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)Nc1nnc2ccccn12 408474378 TUPSDNAGUXBBCW-VHSXEESVSA-N 260.297 1.483 0 50 CDAA COc1cccc(C(=O)N[C@@H]2C[C@H]2c2cncn2C)c1 408524473 HPSALDKJQICLDR-CHWSQXEVSA-N 271.320 1.715 0 50 CDAA COCCN(C(=O)COCC(F)(F)F)C1CC1 170623388 UFRZQOXOEYBZPT-UHFFFAOYSA-N 255.236 1.203 0 50 CDAA CCS(=O)(=O)N(C)Cc1csc([C@@H](C)OC)n1 170654421 FWMJDMUBQRBWJP-MRVPVSSYSA-N 278.399 1.632 0 50 CDAA COC(=O)CCCCC(=O)NCc1cccc2c1OCO2 170601880 NDTFHSBKTUDUIC-UHFFFAOYSA-N 293.319 1.765 0 50 CDAA O=C(NC1CCC(Oc2cnccn2)CC1)c1ccncc1 188249020 XHWDNHIOTIOYMO-UHFFFAOYSA-N 298.346 1.992 0 50 CDAA Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)cnn1C(C)C 188882791 FIRNJTHGKLAMMJ-NSHDSACASA-N 278.356 1.123 0 50 CDAA O=C(c1ccc2c(c1)COB2O)N1CCC(C(F)F)CC1 584963826 ZCGQWZKPPVVNII-UHFFFAOYSA-N 295.094 1.022 0 50 CDAA COc1ccc(CNC(=O)[C@H]2CCCO[C@@H]2C)cn1 191616262 XXSNJMKRXDOZNO-PWSUYJOCSA-N 264.325 1.522 0 50 CDAA Cc1nc2ccc(C(=O)NC3COCCOC3)cc2o1 646807219 PUKPBLJSCOBJGY-UHFFFAOYSA-N 276.292 1.281 0 50 CDAA O=C(O)CCN1CCC(CNC(=O)c2ccoc2)CC1 1506406575 DZHVOAYLBDOMRL-UHFFFAOYSA-N 280.324 1.196 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)c2cnc(C)cn2)s1 1529153899 WPDVGJACYOAXMP-SSDOTTSWSA-N 279.325 1.596 0 50 CDAA O=C(CC=Cc1ccc(F)cc1)N1CCN(CCO)CC1 1857533311 WELPNJVMJBOHIW-UHFFFAOYSA-N 292.354 1.366 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(S(=O)(=O)N(C)C)C2 1704302540 OUQGEGIAUMWHMH-VXGBXAGGSA-N 276.402 1.074 0 50 CDAA C[C@]1(O)CCOC2(CCN(Cc3ncc[nH]3)CC2)C1 1704313685 NDPXMMAQZUUBAO-ZDUSSCGKSA-N 265.357 1.306 0 50 CDAA CC[C@]1(O)CCN(C(=O)c2ccc(SC)cc2)C[C@@H]1O 216615367 UMAGCGKZCVJPRP-ZFWWWQNUSA-N 295.404 1.756 0 50 CDAA CC1(C)[C@H](C(F)(F)F)CCN1Cc1nc(O)n[nH]1 332673258 INVPQPBQAMGWBF-ZCFIWIBFSA-N 264.251 1.673 0 50 CDAA CCOC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)CC1=O 149353601 HIKNVKBEOQDCEO-CQSZACIVSA-N 285.340 1.766 0 50 CDAA in-vitro CN1CC2(CCC1=O)CCN(CC[C@H]1COCCO1)CC2 1775982463 VSJYKBYCYDPLGL-AWEZNQCLSA-N 296.411 1.126 0 50 CDAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C3(O)CC3)cnn2c1 1772815446 LGPZWWFBOHRLDD-CQSZACIVSA-N 285.347 1.772 0 50 CDAA CCONC(=O)Cn1c(=N)sc2ccccc21 5327523 PUPRGBCCJIRKEV-UHFFFAOYSA-N 251.311 1.250 0 50 CDAA CCc1ccc(C(=O)NCCCN2CCOCC2)s1 13744228 SBFJBWATNGNDBO-UHFFFAOYSA-N 282.409 1.763 0 50 CDAA CN1C[C@H](n2ccnc2-c2cccc3ccnn23)CCC1=O 1875247018 WAZDFGRJWZSQET-CYBMUJFWSA-N 295.346 1.991 0 50 CDAA CCn1nnc2c1CCN(C(=O)OC(C)(C)C)[C@@H]2CO 306125367 CNQWHQLQVUPDTQ-SNVBAGLBSA-N 282.344 1.125 0 50 CDAA in-vitro O=C(C1C2CC3CC(C2)CC1C3)N1CCn2nncc2C1 515069678 KTSYRZSMQCNYKB-UHFFFAOYSA-N 286.379 1.693 0 50 CDAA C[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CCC[C@H]1C 242140872 WQAQNEQIXZSJGZ-VWYCJHECSA-N 263.341 1.335 0 50 CDAA C[C@H](CCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccnc1 248221926 IBMRYCFZFPEFMZ-KWCYVHTRSA-N 261.369 1.642 0 50 CDAA O=C(NC1(c2ncccn2)CCC1)[C@@H](O)c1ccccc1 920770151 OHUHJBDWOQURPJ-ZDUSSCGKSA-N 283.331 1.706 0 50 CDAA Cc1nn(-c2ccccn2)c(C)c1CNCC1(CO)CC1 669994730 HQYSEIAXRWTXHL-UHFFFAOYSA-N 286.379 1.746 0 50 CDAA O=C(N[C@@H](C(=O)O)c1cc(F)ccc1F)c1ccnnc1 776618233 XPJSEKGCYAOTBT-LLVKDONJSA-N 293.229 1.311 0 50 CDAA O[C@@H]1CCOC[C@H]1[C@@H]1CCCN1c1ncccc1F 359308785 ZLVKFAUREUYGGX-WCFLWFBJSA-N 266.316 1.587 0 50 CDAA O=C(NCc1ccc(C(=O)O)cc1)N[C@H]1CCCOCC1 261666710 LAOPTMDAHCRKAK-ZDUSSCGKSA-N 292.335 1.753 0 50 CDAA O=C(O)c1cccc(NS(=O)(=O)C[C@@H]2CCOC2)c1 265032249 UCGHFVRAXYHDQA-SECBINFHSA-N 285.321 1.163 0 50 CDAA C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1nc[nH]n1 267259584 SYKSXTXONPRBBB-VIFPVBQESA-N 274.299 1.853 0 50 CDAA NC(=O)c1nc2cc(NC(=O)C3CC(F)(F)C3)ccc2o1 1647398487 GYEHNQNFQPOTDM-UHFFFAOYSA-N 295.245 1.911 0 50 CDAA COC[C@@H]1COCCN1Cc1c(Cl)cccc1C(=O)O 903942648 DXTMBURBAJPAAC-SNVBAGLBSA-N 299.754 1.885 0 50 CDAA OCc1nnc(N2CC[C@@H]([C@H]3CCOC3)C2)n1CC1CC1 1650520386 KSQPZYNACNKKQO-OLZOCXBDSA-N 292.383 1.043 0 50 CDAA O=C(N[C@@H](c1ncccn1)C1CC1)c1c[nH]nc1C1CC1 928580602 HHZSDEHZMGQSRJ-CYBMUJFWSA-N 283.335 1.958 0 50 CDAA Cn1nc(C(=O)NC[C@H]2CCc3nccn3C2)cc1Cl 857493249 ZVLZVZUVIIIDTH-SECBINFHSA-N 293.758 1.262 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C12CCOCC2 1857784132 CPGBOXYHYSXEOT-SECBINFHSA-N 271.313 1.487 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC[C@H]1c1cccc(F)c1 859702603 QJUIFBKACZNZHY-ZDUSSCGKSA-N 276.311 1.744 0 50 CDAA CCc1nc(CNC(=O)c2ccc(C(=O)O)o2)cs1 237056054 YDLFBCOEYIOCDR-UHFFFAOYSA-N 280.305 1.927 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2cccc3cccnc23)CCN1 237644210 VOYDTTZBZORQKM-NSHDSACASA-N 291.376 1.217 0 50 CDAA Cn1ccnc1SCCNc1ncnc2[nH]cnc12 32587156 JZQROHPJXUQWAV-UHFFFAOYSA-N 275.341 1.291 0 50 CDAA O=C(O)CCN1CCO[C@H](c2ccccc2F)C1 262285986 WRIVLXXXCRHICB-LBPRGKRZSA-N 253.273 1.674 0 50 CDAA O=C(NCCc1ccccc1Cl)[C@H]1C[C@H]1C(=O)O 268882765 FJIYMMLGKHDQAE-VHSXEESVSA-N 267.712 1.719 0 50 CDAA O=C(O)c1cccnc1N1CCO[C@@H](CC(F)(F)F)C1 662900983 QVLNNVAPAQBZMC-QMMMGPOBSA-N 290.241 1.937 0 50 CDAA O=C(c1nccc2ccccc12)N1C[C@H](O)C2(CC2)C1 336111346 QEKWWXKPGGTSCV-ZDUSSCGKSA-N 268.316 1.832 0 50 CDAA O=C(OCC(F)(F)F)N1CC[C@H]2CC[C@H](O)[C@H]1C2 722202842 TUESIGGLGPHNLQ-HLTSFMKQSA-N 267.247 1.921 0 50 CDAA CS(=O)(=O)N1CCCN(C/C=C/c2ccccc2)CC1 298741103 YBZAAWZJASPMCD-WEVVVXLNSA-N 294.420 1.667 0 50 CDAA Cc1cnn([C@](C)(Cc2ccsc2)C(=O)O)n1 2325789267 HOJYAOINNIQQOG-LLVKDONJSA-N 251.311 1.691 0 50 CDAA BrC1(Br)[C@@H]2COCOC[C@H]21 270488 NQYZHRVVKWUUBC-RFZPGFLSSA-N 271.936 1.723 0 50 CDAA CCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C)cc1 528291 NNUSMRUDWCJDOL-UHFFFAOYSA-N 296.392 1.284 0 50 CDAA O=C(O)CCC(CCC(=O)O)(C(=O)O)c1ccccc1 1593285 ALQUEZJBMOSAEH-UHFFFAOYSA-N 280.276 1.739 0 50 CDAA O=C(NCCc1ccccc1)C(=O)NC1CCCC1 2497340 RUGMZPPQCSVFOW-UHFFFAOYSA-N 260.337 1.404 0 50 CDAA O=C(O)CNC(=O)c1cc2ccccc2c(=O)s1 2554153 POENINBWZXMVIQ-UHFFFAOYSA-N 263.274 1.076 0 50 CDAA COc1ccc(NC(=S)NCCCO)c(OC)c1 2784574 MJJZEBZYFJPNDA-UHFFFAOYSA-N 270.354 1.373 0 50 CDAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1=O 2883498 ZUONJZJJQRUVQQ-UHFFFAOYSA-N 289.740 1.660 0 50 CDAA COCCCNC(=S)NC(=O)c1ccccc1 2891787 PPJSCLGTDWTRTA-UHFFFAOYSA-N 252.339 1.327 0 50 CDAA CCOC(=O)c1cnc(N2CCN(CC)CC2)nc1C 4502291 RMAFUKISUMMIFE-UHFFFAOYSA-N 278.356 1.104 0 50 CDAA CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 7308579 BERWYBQEPVLQSH-UHFFFAOYSA-N 296.392 1.156 0 50 CDAA COC[C@H](NC[C@@H](C)N1CCOCC1)c1ccccc1 225632018 BUSHXPYWBBGYTE-ZBFHGGJFSA-N 278.396 1.684 0 50 CDAA CN(CC(=O)O)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 227189925 SJJOVPIODNDVBY-NWDGAFQWSA-N 268.357 1.184 0 50 CDAA COC(=O)CCCS(=O)(=O)N1CCS[C@H](C)[C@H]1C 134778171 WRVPFBSDZSDSGG-NXEZZACHSA-N 295.426 1.095 0 50 CDAA CSc1ccc(-c2noc(-c3nnn(C)c3C)n2)nc1 351244284 CFNKXYNXVSPJIM-UHFFFAOYSA-N 288.336 1.957 0 50 CDAA C=CC(=O)NCC[C@H]1CN(Cc2ccccc2)CCO1 311695046 QERLCJXHQJYVSA-HNNXBMFYSA-N 274.364 1.580 0 50 CDAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CCNC[C@@H]2C)c1 125445024 YNGHHRANQQACSL-TUKIKUTGSA-N 274.364 1.619 0 50 CDAA C[C@@H]1CCC[C@@H](NC(=O)CCC[C@]2(C)NC(=O)NC2=O)C1 252517513 KJXDRQURJQMBBE-HFAKWTLXSA-N 295.383 1.450 0 50 CDAA CNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 20120023 XEXGBUSUFLTTNT-UHFFFAOYSA-N 298.298 1.997 0 50 CDAA CC(C)CN1CCC(NCCSc2cn[nH]n2)CC1 67605237 URHVVUPEGHAFGN-UHFFFAOYSA-N 283.445 1.607 0 50 CDAA Cc1cc(CC(=O)N2CCCC[C@H]2c2nc(C)no2)on1 218988455 BVCLKBUSPWHIRA-LBPRGKRZSA-N 290.323 1.971 0 50 CDAA C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)C[C@@H](C2CC2)O1 328588929 TYKXEXRPCVAGGK-BNOWGMLFSA-N 271.401 1.662 0 50 CDAA Cc1noc([C@H]2CCCN2S(=O)(=O)CCC2CC2)n1 329070813 NMZFXOVQVGEHDW-LLVKDONJSA-N 285.369 1.645 0 50 CDAA CN1CCN(C(=O)c2ccncc2O)C[C@@H]1c1ccccc1 214962424 UOWAKJHHRJEJQS-OAHLLOKOSA-N 297.358 1.916 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)[C@@H]2CCCCC2=O)cc1 71772662 XDBLUINCRPQNEL-CQSZACIVSA-N 295.360 1.930 0 50 CDAA C[C@H]1CN(C(=O)NCC(=O)NC(C)(C)C)C[C@H](C2CC2)O1 253419684 BAOXMXJOVZZOTL-CMPLNLGQSA-N 297.399 1.110 0 50 CDAA COc1csc(C(=O)N2CC[C@@H](N)C[C@H]2C)c1 124749325 DMHRNJCIUZIWTM-RKDXNWHRSA-N 254.355 1.709 0 50 CDAA CCOc1cc(C)c(S(=O)(=O)NC[C@H](C)O)cc1C 30768815 FGZATSVKLZRCLV-NSHDSACASA-N 287.381 1.361 0 50 CDAA CCCc1nnc(N2CC[C@](O)(CC)[C@H](O)C2)s1 72436168 RZRPJLDPHNQCJS-BXKDBHETSA-N 271.386 1.203 0 50 CDAA O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1COCCO1 38057488 LRAOLMXQXMHZCE-CYBMUJFWSA-N 288.347 1.632 0 50 CDAA Cc1ccccc1OCCNC(=O)C1(C(=O)O)CC1 154813566 XYNMDPJUKRNFHS-UHFFFAOYSA-N 263.293 1.355 0 50 CDAA COCc1nc(CN[C@H]2CCc3ccccc3OC2)no1 367211393 DLYBOHCMMWRVKZ-LBPRGKRZSA-N 289.335 1.699 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)Nc1ccn(CC(=O)O)n1 262762947 LARWKDCDIPCPAQ-UHFFFAOYSA-N 290.279 1.394 0 50 CDAA COc1cc(C)nc(NC(=O)[C@@H]2CCCOCC2)n1 333804956 FBUWUSQIBVNMCB-SNVBAGLBSA-N 265.313 1.549 0 50 CDAA Cc1nc([C@H]2CCN(C(=O)c3c(C)nsc3C)C2)n[nH]1 333994003 MDWAHMVDORRMRE-JTQLQIEISA-N 291.380 1.816 0 50 CDAA Cc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)nn1C(C)(C)C 237705139 OYCXSYVETTUJOC-SNVBAGLBSA-N 279.340 1.493 0 50 CDAA CC(C)(C)OC(=O)NCC(=O)Nc1nccs1 32579443 MRGBEMMYRJXTDM-UHFFFAOYSA-N 257.315 1.606 0 50 CDAA CCCN1CCN(c2ccc(-c3nc(C)no3)cn2)CC1 72454237 QTYITVSXUGVLDQ-UHFFFAOYSA-N 287.367 1.972 0 50 CDAA Cc1noc(CCCC(=O)N2CC[C@@](C)(C(=O)O)C2)n1 262196765 UHNCCMZVVIJGQF-CYBMUJFWSA-N 281.312 1.024 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)c1cccc(C[S@@](C)=O)c1 262213775 ULTDBQNNJVCKEE-AYLIAGHASA-N 283.349 1.110 0 50 CDAA Cn1cnc2cc(C(=O)NC[C@@]3(C)CCCNC3)ccc21 335025696 KFDPNJOOKAYTPG-INIZCTEOSA-N 286.379 1.693 0 50 CDAA CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1C)C(=O)O 263088155 HPRKDOGSEXCDAG-SNVBAGLBSA-N 281.308 1.605 0 50 CDAA C[C@H]1OCCN(CC2=Cc3ccccc3OC2)[C@@H]1C(N)=O 284639333 ONUOZPSBIQHQCL-ABAIWWIYSA-N 288.347 1.037 0 50 CDAA COCCOc1cccc(CNC(=O)[C@H](C)N(C)C)c1 78689844 RPJYARJZDWLXLH-LBPRGKRZSA-N 280.368 1.278 0 50 CDAA Nc1nccnc1C(=O)Nc1ccc(-c2cc(O)n[nH]2)cc1 339132601 IFAJIFVVOIYNIN-UHFFFAOYSA-N 296.290 1.407 0 50 CDAA O[C@]1(Cn2ccnn2)CCCN(C/C=C/c2ccccc2)C1 285555543 QXJYOZYZAXFRID-IOMDMTNGSA-N 298.390 1.818 0 50 CDAA CCC1(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CCC1 174931174 IDRMPKUTEWNDGX-ZWNOBZJWSA-N 282.409 1.889 0 50 CDAA CCN1CCC[C@@H](N2CCC[C@H](CCCO)C2)C1 42496517 IWFICYUSBZVCBY-HUUCEWRRSA-N 254.418 1.955 0 50 CDAA O=C(O)c1cccc(CNCc2nc(C3CC3)n[nH]2)c1 263398879 HNICWZOTVZPOES-UHFFFAOYSA-N 272.308 1.670 0 50 CDAA C[C@H]1CN(C[C@H](O)CO[C@@H]2CCC[C@H]2C)C[C@@H](C)O1 222484490 NOPQVBCPBSUPGR-NIFZNCRKSA-N 271.401 1.662 0 50 CDAA Cc1nnc(CN(C)C(=O)CSC(F)(F)F)o1 221395662 AWDIPCUVMZTBIA-UHFFFAOYSA-N 269.248 1.589 0 50 CDAA Cc1nc(C)n(CCCNC(=O)C[C@H]2CCCOC2)n1 426471325 IBCDCXMRQQQPBH-CYBMUJFWSA-N 280.372 1.218 0 50 CDAA O=C(CN1Cc2ccccc2C1)NC1(C(=O)O)CCC1 426590024 SFHPEFHUNYZLIN-UHFFFAOYSA-N 274.320 1.126 0 50 CDAA CC(C)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)nc1 291426863 XMWHKMIYTUDXES-STQMWFEESA-N 289.379 1.979 0 50 CDAA Cc1cc(CC(=O)N[C@@H](C)c2nnc(C(C)C)o2)on1 426382583 BDMCSULEHXRZKQ-VIFPVBQESA-N 278.312 1.909 0 50 CDAA NCc1nnc(C(=O)Nc2ccccc2F)s1 47218816 HOZDBNWNZSDJKA-UHFFFAOYSA-N 252.274 1.388 0 50 CDAA Cc1cc(C)nc(CNC(=O)c2n[nH]c3c2CCC3)n1 426440230 FLNGPHNCVYSRQR-UHFFFAOYSA-N 271.324 1.235 0 50 CDAA Cn1ncc2c(N)[nH]c(=N[C@H]3CCc4ccccc4C3)nc21 333107745 WRDJTYOLEMQDJG-LBPRGKRZSA-N 294.362 1.337 0 50 CDAA Cn1nc(C(=O)Nc2ccc3scnc3c2)ccc1=O 195091029 OBSBHDUWWIMUFL-UHFFFAOYSA-N 286.316 1.642 0 50 CDAA C[C@@]1(C(=O)NCc2n[nH]c3c2CCCCC3)CCCO1 426549124 IDGPKGFTVSCGEL-HNNXBMFYSA-N 277.368 1.864 0 50 CDAA CN(C)CCN1C[C@@H](C(=O)NCC2=CCCCC2)CC1=O 95367380 DGMWDTUFIGLETB-AWEZNQCLSA-N 293.411 1.013 0 50 CDAA O=c1cc(N2CCCCC2)cnn1Cc1cncs1 95376407 RPDJVJFRAFTDNX-UHFFFAOYSA-N 276.365 1.738 0 50 CDAA O=C(c1ccnc(-c2ccoc2)c1)N1CCOCC1 97088609 IZWCIMLHVCGLCE-UHFFFAOYSA-N 258.277 1.814 0 50 CDAA CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC1=O 95707304 YDASEKAEWNKGEJ-CYBMUJFWSA-N 271.313 1.376 0 50 CDAA COCC(=O)N1CCC(C(=O)NCC2=CCCCC2)CC1 95513375 YYSDTZWGHFFRSL-UHFFFAOYSA-N 294.395 1.488 0 50 CDAA Cc1oc(=O)n(CC(=O)N2CCOc3ccccc32)c1C 95366101 AQSKMQFDTQSPBQ-UHFFFAOYSA-N 288.303 1.484 0 50 CDAA Cc1scc(C(=O)NCC2(CO)CCOCC2)c1C 180446906 VEHBQBXDWVHQRZ-UHFFFAOYSA-N 283.393 1.884 0 50 CDAA CC[C@H](O)CN1CCN(C(=O)Nc2ccsc2)CC1 181232813 JOZZJAHXJLEJEY-LBPRGKRZSA-N 283.397 1.669 0 50 CDAA Cn1nnc2cc(C(=O)O)cc(Br)c21 95496079 UUQACSHHQKNJCT-UHFFFAOYSA-N 256.059 1.429 0 50 CDAA Cc1cc(C(=O)Nc2nncn2C)nn1-c1ccccc1 163027186 BALLSBOODCBSQJ-UHFFFAOYSA-N 282.307 1.562 0 50 CDAA O=C(c1cnc(-c2ccncc2)nc1)N1CCCC[C@H]1CO 97244216 OQWOVPIXGQPGHB-AWEZNQCLSA-N 298.346 1.526 0 50 CDAA CC(=O)NC1CCN(c2ncnc3nc(C)cc(C)c23)CC1 95374469 IDPCMDCUZIARJL-UHFFFAOYSA-N 299.378 1.747 0 50 CDAA CSCCN1CCN(C(=O)c2ncoc2C)CC1 97528954 HUPAOQSDFKNKNK-UHFFFAOYSA-N 269.370 1.104 0 50 CDAA c1ccc(CCn2ncnc2CN2CCOCC2)cc1 91547496 CTLZJMHUFDECDK-UHFFFAOYSA-N 272.352 1.353 0 50 CDAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1C[C@@H]1C)CC2 246977980 HBFJERGIZYRRCJ-ZDEQEGDKSA-N 267.369 1.421 0 50 CDAA C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C[C@H]1CSCCS1 245339214 RFGFFKOVVZHFNM-UTUOFQBUSA-N 288.482 1.776 0 50 CDAA O=C(C[C@@H]1C=CCCC1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 298896224 KETFCDCGSNGXDZ-VXGBXAGGSA-N 290.367 1.550 0 50 CDAA CN(CCC(=O)O)C(=O)[C@@H]1CSc2ccccc2O1 299753548 YNSCMYDUCPPNEI-JTQLQIEISA-N 281.333 1.473 0 50 CDAA Cc1cc(C(=O)NC[C@@H](C)c2nc(C)cs2)nc(N)n1 299797679 OQLHGSUVEFPGHS-SSDOTTSWSA-N 291.380 1.666 0 50 CDAA CC[C@H](NC(=O)CCS(C)(=O)=O)c1ccc(F)cc1 822655562 ZZEJMYVJBKPSIF-LBPRGKRZSA-N 287.356 1.828 0 50 CDAA CC(C)[C@@H](O)C(=O)Nc1nccc(Br)c1O 822140900 NMHGPLWLRLNLMH-SSDOTTSWSA-N 289.129 1.505 0 50 CDAA CN1CCC[C@@H]1CNS(=O)(=O)N(C)Cc1ccccc1 823773835 QOLXKRQJZBFUTC-CQSZACIVSA-N 297.424 1.047 0 50 CDAA O=C1[C@H]2[C@@H]3[C@@H]4C[C@H]5[C@H](C(=O)[C@@]2(c2ccccc2)[C@@H]53)[C@H]14 828238846 LOALMTBHONGUCJ-WQIUEZPBSA-N 250.297 1.834 0 50 CDAA O=C(NCCN1CCCC[C@@H]1CO)c1ccc(O)c(F)c1 828710837 MFTFKTRLIYCEOA-GFCCVEGCSA-N 296.342 1.108 0 50 CDAA OC[C@H]1CCCN(CCNc2nccc3cccnc23)C1 828711091 DEPIFKKRTBUUGB-ZDUSSCGKSA-N 286.379 1.746 0 50 CDAA CCCC[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C(=O)O 585134806 KMWZFTAYMYPFQE-MWLCHTKSSA-N 267.329 1.348 0 50 CDAA COCC1(CNC(=O)c2cc(Cl)cnc2O)CCC1 824347241 TXTAERIRJDIFFQ-UHFFFAOYSA-N 284.743 1.987 0 50 CDAA CCOCC(=O)NC1(CN2CCCC2)CCCCC1 584897274 BEJBICSHKRQZNJ-UHFFFAOYSA-N 268.401 1.938 0 50 CDAA Cc1cccc2nc(CCN(C)CCS(C)(=O)=O)[nH]c12 670462205 KCKMEQIMFVSMEK-UHFFFAOYSA-N 295.408 1.390 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)NCC1(CO)CCOCC1 584886747 LYQGEUWAWNVHJJ-LBPRGKRZSA-N 286.416 1.058 0 50 CDAA CCc1ccc(CN(C)C(=O)NCC[C@@H](C)CO)nc1 670450747 NLERMEAQUVNDMG-GFCCVEGCSA-N 279.384 1.804 0 50 CDAA Cc1cccc2c(CCNC(=O)[C@@H]3C[C@@H]3C(=O)O)c[nH]c12 268933951 ZTLSJKCBVUSFTN-OLZOCXBDSA-N 286.331 1.856 0 50 CDAA Ic1cnn(C2CCNCC2)c1 67802391 GYYVRUODGBPRHC-UHFFFAOYSA-N 277.109 1.412 0 50 CDAA in-vitro COc1cccc(OCCN2CCC(=O)N3CCC[C@H]23)c1 952995033 ATZZZHRPXAWEMR-OAHLLOKOSA-N 290.363 1.728 0 50 CDAA O=C(COc1cccc2cccnc12)NO[C@@H]1CCOC1 1875259435 QESIFCHXVAFSKO-GFCCVEGCSA-N 288.303 1.450 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12C3C4C5C3C1C5C42 953095021 HRTDBFFFLMHCJS-BFCFRCCOSA-N 277.320 1.332 0 50 CDAA CC(C)[C@@H](N)C(=O)Nc1cnn(Cc2ccccc2)c1 37770069 NHCOBJWPUOFLSS-CQSZACIVSA-N 272.352 1.853 0 50 CDAA N[C@@H]1C[C@@H](C(=O)O)CN(CCCOc2ccccc2)C1 1875302673 BGEZUDDPAALLAX-CHWSQXEVSA-N 278.352 1.189 0 50 CDAA O=S(=O)(NCC12CCN(CC1)C2)c1ccc(CF)cc1 1875321452 IWLIKBCHECFZOB-UHFFFAOYSA-N 298.383 1.530 0 50 CDAA Cc1cnc(NCCCO[C@@H]2CCOC2)nc1C 270783177 PHQMSDAXLNILJM-GFCCVEGCSA-N 251.330 1.701 0 50 CDAA CS(=O)(=O)CCC(=O)N1CC[C@@H]1c1cccs1 952967414 ZEEGYQIZAJELKR-SECBINFHSA-N 273.379 1.456 0 50 CDAA C[C@]12COC[C@@]1(C)CN(CCc1ccc(C(N)=O)cc1)C2 878920196 OOOCRYMKWSMDGF-CALCHBBNSA-N 288.391 1.686 0 50 CDAA NC(=O)[C@H](O)C1CCN([C@H]2CCCc3ccccc32)CC1 1775959030 AMFMYORXSQULQY-JKSUJKDBSA-N 288.391 1.622 0 50 CDAA CO[C@@H]1CCCC[C@H]1NC[C@@H](O)c1ccccn1 1336711321 VWMRCPVRWIGROS-MGPQQGTHSA-N 250.342 1.662 0 50 CDAA C=Cn1nccc1C(=O)N1CCCC[C@H]1CNC(C)=O 1775993947 XPFZYIASGKJCNJ-LBPRGKRZSA-N 276.340 1.114 0 50 CDAA O=C(CCc1cccc(Cl)c1)NC[C@H]1CCNC[C@@H]1O 1565508335 JWJMTFVPXYDMIQ-OCCSQVGLSA-N 296.798 1.359 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2ccn(C)c2C)[C@H]2CCO[C@H]21 1565508636 RPRRKODXZAONMN-ZOBORPQBSA-N 278.352 1.113 0 50 CDAA COCCn1cc(C(=O)N2CCCCC[C@H]2C(C)C)nn1 1435703983 NOKNODFTZRUZHV-AWEZNQCLSA-N 294.399 1.965 0 50 CDAA CCc1noc(CN(Cc2ccnn2C)C(C)C)n1 1506424291 BJCSXTGKINNHFC-UHFFFAOYSA-N 263.345 1.776 0 50 CDAA COC(=O)c1ccc(N2CCNCC2)c(Cl)c1 90513330 YXNWWDUBAHLVBO-UHFFFAOYSA-N 254.717 1.536 0 50 CDAA in-vitro NC(=O)[C@H](NC[C@@H]1CCc2nccn2C1)c1ccccc1 275577379 OUFCXWODRQOJGX-SWLSCSKDSA-N 284.363 1.262 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCc2nc(N)ncc2C1 95705222 ADZQBEXWLVQODS-SECBINFHSA-N 264.329 1.441 0 50 CDAA in-vitro Cc1c(C(=O)NCC(=O)O)cnn1Cc1ccccc1 169967188 AEGLWGLTRLGQGT-UHFFFAOYSA-N 273.292 1.054 0 50 CDAA CC(C)(O)CNC(=O)c1csc(C(F)(F)F)n1 170089500 VCIBMXYIUDAVBU-UHFFFAOYSA-N 268.260 1.663 0 50 CDAA O=C(NCCOC1CCCCCC1)[C@@H]1COCCO1 170631042 LKTTVRUVXBYFFF-ZDUSSCGKSA-N 271.357 1.257 0 50 CDAA O=C(Nc1ccccc1O)c1cnn2ccncc12 170610258 GYQSWSZUHWHKMM-UHFFFAOYSA-N 254.249 1.687 0 50 CDAA CSCC[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)O 170612797 TYUJHPLLXCITSF-FIQHERPVSA-N 255.383 1.995 0 50 CDAA CC(C)c1nc(C(=O)NCc2cnn(C)c2)cs1 170669519 IFYYJDDCMTVQEX-UHFFFAOYSA-N 264.354 1.930 0 50 CDAA Cc1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1C 548913548 RVNRKUCEPRPXLQ-ZDUSSCGKSA-N 294.305 1.980 0 50 CDAA C[C@@](NCCc1ccncc1)(C(N)=O)c1ccccc1 281127637 YBNPGNCFLNKPLL-INIZCTEOSA-N 269.348 1.614 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCn2cccn2)C1 643855369 ZOIZGPZSHGDLAB-NEPJUHHUSA-N 261.329 1.068 0 50 CDAA CC1(C)[C@@H](C(F)(F)F)CCN1C[C@H]1CNC(=O)C1 585094335 LAQZRBYQEKJSNF-BDAKNGLRSA-N 264.291 1.785 0 50 CDAA OCc1ccnc(N2CCC[C@H](CN3CCOCC3)C2)c1 585133006 MIOKWMXHZUQMGI-OAHLLOKOSA-N 291.395 1.123 0 50 CDAA C[C@]1(CO)C[C@H](O)CN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585128374 ZQMGLUZDEZGQDN-MJDBTJCESA-N 267.369 1.157 0 50 CDAA C[C@H](c1cnn(C)c1)c1nc(Cc2cnsn2)no1 585120264 CNHPJLZQEMMWQS-SSDOTTSWSA-N 276.325 1.397 0 50 CDAA COC[C@H]1[C@@H](NC(=O)Cc2ccsc2)[C@H]2CCO[C@H]21 1074628241 NCDUFFIPYNACNA-UVLXDEKHSA-N 281.377 1.457 0 50 CDAA Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc[nH]2)n1 195115493 WRBSGKYBODQQSD-ZDUSSCGKSA-N 287.367 1.977 0 50 CDAA Cn1nccc1[C@@H](NC(=O)C1CCC=CCC1)C(=O)O 718123104 YXHTWZSMXNRMOO-GFCCVEGCSA-N 277.324 1.408 0 50 CDAA O=C(NN1CCCNC1=O)c1coc(C2CCCCC2)n1 777292013 DRABQJIDMJPJJO-UHFFFAOYSA-N 292.339 1.782 0 50 CDAA COc1ccc(CN[C@@H](C)c2n[nH]c(C)n2)cc1C(=O)O 1506399261 LDNQSEDPVWUITQ-QMMMGPOBSA-N 290.323 1.671 0 50 CDAA CCCCNC(=O)CN(C)C(=O)c1ccn(C)c1C 1506402819 PTFMLXBRGZLTBY-UHFFFAOYSA-N 265.357 1.322 0 50 CDAA Cc1noc(C2CN(C(=O)[C@@H]3[C@@H](C)C3(F)F)C2)n1 408399591 IYWBYLHPFYLCHE-XRGYYRRGSA-N 257.240 1.205 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1coc(CN)n1)C2 1704299436 RSONMZICNSUVNN-DOMZBBRYSA-N 293.367 1.555 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](C(=O)O)C[C@H]2C1 110915668 SSIHZFHJWICIDE-LPEHRKFASA-N 271.313 1.486 0 50 CDAA in-vitro O=C(Cc1ccon1)N1CCC([C@H](O)C(F)(F)F)CC1 532534884 SLUCHOLYYGNMMW-NSHDSACASA-N 292.257 1.379 0 50 CDAA CCCc1nc(CN2C[C@@H](C)S(=O)[C@H](C)C2)no1 330137998 VGPPRYYGLLHJKB-NXEZZACHSA-N 271.386 1.363 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CCN[C@@H](C)C1 236825535 DGDKBTVFGXGDFM-LBPRGKRZSA-N 264.373 1.217 0 50 CDAA C[C@]1(NC(=O)C(F)(F)C2(O)CCCCC2)CCOC1=O 794096719 AFFOEMDAERCGOD-NSHDSACASA-N 291.294 1.139 0 50 CDAA O=C(Nc1cc(O)cc(C(=O)O)c1)OCCCF 1616039836 WOJZLQSZACFBPQ-UHFFFAOYSA-N 257.217 1.999 0 50 CDAA CC(C)N1C[C@H](CN(C)CCCn2cccn2)CCC1=O 1775978331 RMLCOPGWSUYWPU-HNNXBMFYSA-N 292.427 1.852 0 50 CDAA NCc1nnc(NCc2nc(C3CCCCC3)no2)o1 1772708442 DBPVSTKGCSDPNA-UHFFFAOYSA-N 278.316 1.571 0 50 CDAA CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCCC1 12381957 MVBQFUARWMDPAJ-GFCCVEGCSA-N 264.325 1.656 0 50 CDAA Nc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1 13685808 XCYNQGOWKRDXCW-UHFFFAOYSA-N 252.274 1.501 0 50 CDAA Cc1ccc(S(=O)(=O)NC[C@@H](C)n2cncn2)c(C)c1 16648145 OBHWFONJBQEEAS-GFCCVEGCSA-N 294.380 1.434 0 50 CDAA Cc1n[nH]c([C@H](C)NC(=O)[C@@H]2CCc3ccccc3O2)n1 19223353 DNCMKXSGWOSRFU-ZANVPECISA-N 286.335 1.684 0 50 CDAA O=C(O)c1ccc(N2C(=O)C[C@@H](N3CCCC3)C2=O)cc1 19332198 PPRWDRNVKOKKQB-GFCCVEGCSA-N 288.303 1.113 0 50 CDAA COc1ccc(CNS(=O)(=O)c2ccc(O)cc2)cc1 19733508 MMJVWXYIQUAABG-UHFFFAOYSA-N 293.344 1.879 0 50 CDAA CC[C@@H](O)c1cn(Cc2ncc(C)c(OC)c2C)nn1 162807703 AVQMDTJMPLARPO-CYBMUJFWSA-N 276.340 1.790 0 50 CDAA CCc1c(C)sc(NC(=O)/C=C/C(=O)O)c1C(N)=O 2767158 WWZAQYNLGLZPNX-SNAWJCMRSA-N 282.321 1.297 0 50 CDAA CCC[C@]1(CO)CCN(c2ccnc(C(=O)O)c2)C[C@@H]1O 1875243504 JNUJWQCDSHBFHS-DZGCQCFKSA-N 294.351 1.130 0 50 CDAA O=C(O)C1CCC(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 101515314 FYDXARSDKPBFEL-IPCLRZAMSA-N 291.347 1.661 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@@H](N)C[C@@H]1C 237033476 GIRDVVNCGLQDLK-GXTWGEPZSA-N 276.380 1.966 0 50 CDAA O=C(CCCc1ccccc1)N1CC[C@H](CO)[C@H](O)C1 559433195 QMVWTEPOGIQCQU-HUUCEWRRSA-N 277.364 1.211 0 50 CDAA COCCOCc1noc([C@@H](C)c2c(C)nn(C)c2C)n1 357151644 WBBYJTHGOGGFDZ-VIFPVBQESA-N 294.355 1.735 0 50 CDAA CN(C)c1ncc(CN2c3ccccc3C[C@@H]2CO)n1C 585116747 HFAWAMCTJOVFGP-CYBMUJFWSA-N 286.379 1.410 0 50 CDAA Cc1ccc(F)c(Cn2cc(S(C)(=O)=O)cn2)c1F 901606831 WFBOOEFKPINSSB-UHFFFAOYSA-N 286.303 1.922 0 50 CDAA Cc1coc(C(=O)N2CCSC[C@H](C(=O)O)C2)c1 910156932 OAKMNLZJTPSGJX-SECBINFHSA-N 269.322 1.478 0 50 CDAA Cc1noc(NC(=O)c2cccn(CC(C)C)c2=O)n1 930310538 IBVKPJOQTOABBP-UHFFFAOYSA-N 276.296 1.448 0 50 CDAA Cn1nnc(NC(=O)NCC(F)(F)c2ccccc2)n1 932258286 HSTVBVUKDLUMOM-UHFFFAOYSA-N 282.254 1.124 0 50 CDAA C=CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 1120462932 RTLQXFFPUNHBAZ-UHFFFAOYSA-N 273.336 1.480 0 50 CDAA Cc1nn(C[C@@H]2CCCO2)c(C)c1[C@H]1COCCN1C 852962526 GZKYNDSIYJHHRF-UONOGXRCSA-N 279.384 1.682 0 50 CDAA C[C@H](O)CN(Cc1ccccc1Cl)C[C@@H](C)O 214570 LPFZHQQEAZUCTP-PHIMTYICSA-N 257.761 1.904 0 50 CDAA O=C(O)c1ccc(N2CC[C@H](N3CCCCC3)C2)nn1 110345461 ZBEKGNXWUJSSRU-NSHDSACASA-N 276.340 1.239 0 50 CDAA C[C@@H](O)C[C@H]1CCCCCN1CCN1CCNC1=O 124197162 NXQXHEMSZNPDOO-CHWSQXEVSA-N 269.389 1.027 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)CN2C[C@@H]3CCC[C@@H]32)C1 252511490 HHERRFZGXGBAHR-CRWXNKLISA-N 250.386 1.975 0 50 CDAA Cc1nc(N)sc1C(=O)N[C@H](c1nccn1C)C1CC1 252504242 VIRMDCFUPCQVIM-VIFPVBQESA-N 291.380 1.648 0 50 CDAA COC(CN1CCN(c2cc(C)ccn2)CC1)OC 161621859 OROFIVOGRODUQG-UHFFFAOYSA-N 265.357 1.131 0 50 CDAA OCC[C@@H]1CSCCN1CCO[C@H]1CCCCO1 408514852 MWMBXNBOYZLUKN-OLZOCXBDSA-N 275.414 1.329 0 50 CDAA O=S(=O)(C1CC1)N1CCNC[C@H]1c1ccccc1 313383876 JRFBOJIGMGDJIC-ZDUSSCGKSA-N 266.366 1.125 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1scnc1C 643853372 YSXHBYFFQSVOEV-LBPRGKRZSA-N 284.337 1.157 0 50 CDAA CO[C@]1(C(=O)O)CCN(c2cnc3ccccc3n2)C1 703779916 VOTDSKGBQVAYPR-CQSZACIVSA-N 273.292 1.310 0 50 CDAA CC(=O)c1cc(C(=O)N2CCC[C@@H](O)CC2)n(C)c1 393207114 INALDEQWLXAYKH-GFCCVEGCSA-N 264.325 1.215 0 50 CDAA CN(C(=O)c1c[nH]c(=N)s1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100536857 BOTUYCZTDKGKRL-YNFQOJQRSA-N 281.381 1.177 0 50 CDAA c1ccc(-n2nnnc2CN2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)cc1 110649030 ZBDOETCFJVRKTH-LXTVHRRPSA-N 297.362 1.272 0 50 CDAA Cc1noc([C@H]2COCCN2C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 248509420 YXHNMOXVHUEAAF-WUHRBBMRSA-N 291.351 1.714 0 50 CDAA COc1ccc(CNC[C@@H]2CCCO2)c(OC)c1 268567 UMUVEGLNWVUCTM-ZDUSSCGKSA-N 251.326 1.972 0 50 CDAA CN(C)CCNc1ncnc2c1cnn2-c1ccccc1 487759 HUDXUPBLGSAGNG-UHFFFAOYSA-N 282.351 1.789 0 50 CDAA biogenic CNC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 1079830 FDURFWOTNRZWGX-VIFPVBQESA-N 290.344 1.483 0 50 CDAA CCCCN(CCC(N)=O)S(=O)(=O)c1ccc(C)cc1 2254758 SFDOWFAYKFTWMY-UHFFFAOYSA-N 298.408 1.661 0 50 CDAA Cc1cc(C)[n+](CCCC[n+]2c(C)cc(C)n2C)n1C 2923780 IMVKDGOYOBOUKT-UHFFFAOYSA-N 276.428 1.653 0 50 CDAA Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 3903715 KUFKGDZHWPMXNX-OQMKEHIESA-N 285.299 1.366 0 50 CDAA biogenic CCN(CC)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 6730439 DMLSAYJXFGBWSS-UHFFFAOYSA-N 291.394 1.121 0 50 CDAA Cc1cccc2c1N(C(=O)[C@H]1CCS(=O)(=O)C1)CC2 225509859 WHIBDDYMHJTSNQ-LBPRGKRZSA-N 279.361 1.319 0 50 CDAA C[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1 22698219 AOSZLIVBFDVXMZ-CQSZACIVSA-N 276.380 1.456 0 50 CDAA Cc1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)[nH]1 101323280 JBMJTMWZCDUBPT-LPEHRKFASA-N 266.370 1.510 0 50 CDAA Clc1ccc(N2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)nc1 102775612 YMBDVQKAYRLKJR-WDNDVIMCSA-N 292.814 1.322 0 50 CDAA Cc1ncnc(N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)c1C 102776870 USSXYNUDHSOUES-WDNDVIMCSA-N 260.385 1.870 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@H]3C2)cc1 55169506 MTXWWLRSSOSHIC-CMPLNLGQSA-N 265.334 1.205 0 50 CDAA C[C@@H](Cn1cccn1)NCCC(=O)NC1CCCCC1 65501024 RDNOWPLVYGHUFE-ZDUSSCGKSA-N 278.400 1.700 0 50 CDAA CC(C)N1C[C@@H](C(=O)NCCc2nccs2)CC1=O 50450909 DSWAWWBVCKQNAS-JTQLQIEISA-N 281.381 1.059 0 50 CDAA N=C(N)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 361812487 GEJPNBHRSKHFJC-VIFPVBQESA-N 252.749 1.649 0 50 CDAA Cc1cc(F)ccc1NC(=O)CN[C@H](C)Cn1cncn1 67741561 FYAFUUOCRBXGDA-LLVKDONJSA-N 291.330 1.342 0 50 CDAA CN(Cc1nccs1)[C@H]1CCN(C(C)(C)C)C1=O 425416725 HBVKUYUHRIIMHX-JTQLQIEISA-N 267.398 1.974 0 50 CDAA CCCN(C(=O)C[C@H]1CCS(=O)(=O)C1)C1CCCC1 67805449 QHKSPRNLDMMKFG-GFCCVEGCSA-N 287.425 1.992 0 50 CDAA O=C([C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N1CCCO1 20775101 WKLZBZMQIRUADL-SECBINFHSA-N 296.273 1.482 0 50 CDAA CCc1nc(=N[C@H]2CCO[C@@H]2c2cnn(C)c2C)s[nH]1 328612026 NMBBGBUBKZACIY-CMPLNLGQSA-N 293.396 1.506 0 50 CDAA NC[C@H]1CC[C@H](c2nc(COc3ccc(F)cc3)no2)O1 328608784 BFHQWXNQFJYPNJ-VXGBXAGGSA-N 293.298 1.967 0 50 CDAA CNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)C(C)C)C1 172501725 MALACSIVRAOTLJ-VXGBXAGGSA-N 269.389 1.446 0 50 CDAA CN(C)CCN(C)C(=O)c1cn(CC2CCCCC2)nn1 72162727 RKFRGQIBDBNYSW-UHFFFAOYSA-N 293.415 1.492 0 50 CDAA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cscn2)C1 328630407 JIXJUSYKGDXQKK-GFCCVEGCSA-N 295.408 1.326 0 50 CDAA CNC(=O)c1cccnc1NC[C@H](c1ccco1)N(C)C 301381617 ZJYLZKSDFCKPCI-GFCCVEGCSA-N 288.351 1.749 0 50 CDAA CN1C[C@@]2(CCN(Cc3ccccc3C#N)C2)OC1=O 72163025 HKHKGUSYWJCBPV-OAHLLOKOSA-N 271.320 1.585 0 50 CDAA CCN(CC)[C@H]1CCN(C(=O)[C@H]2CCCC(O)=N2)C1 328803468 MRNRDGHXLJVQCX-NWDGAFQWSA-N 267.373 1.438 0 50 CDAA Cc1ccc(C(N)=O)cc1NC(=O)c1ccnn1C 123637575 QSNJKWQFGMVFLL-UHFFFAOYSA-N 258.281 1.080 0 50 CDAA CCC(=O)[C@@H]1CCCCN1C(=O)CCOC1CCOCC1 331039420 BZXXJTLUAVXPKF-AWEZNQCLSA-N 297.395 1.932 0 50 CDAA CC[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)C(=O)O 237023284 VCZTTYMEDMJRPW-ZJUUUORDSA-N 276.292 1.092 0 50 CDAA O=S(=O)(CCC1CCOCC1)N[C@H]1C[C@@H]2C[C@@H]2C1 333424219 JSEOGFVBVUEXPH-CLLJXQQHSA-N 273.398 1.521 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)Cc2ccc3c[nH]nc3c2)n[nH]1 526008022 FLXJTRQBGPKPJI-JTQLQIEISA-N 297.362 1.884 0 50 CDAA Cc1nsc(C)c1C(=O)N1C[C@@H](C)C[C@@H](O)C1 335385025 RCODSYGZZSJNRA-OIBJUYFYSA-N 254.355 1.603 0 50 CDAA CCc1ccccc1OCC(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 284602013 NGQOVFXABWPLRD-DGCLKSJQSA-N 290.363 1.208 0 50 CDAA CC(C)c1nc(CN(C)C(=O)c2n[nH]c3c2CCC3)no1 77505681 CLBVTPGNSNIEMO-UHFFFAOYSA-N 289.339 1.677 0 50 CDAA C[C@H]1CN(c2ccncc2-c2cccnc2)CC(=O)N1C 376382448 MIKFEXCYPUDVPG-LBPRGKRZSA-N 282.347 1.811 0 50 CDAA CCOC(=O)C[C@@H]1CCCCN1Cc1nccn1C 77407663 IGVPTGQSFIINQT-LBPRGKRZSA-N 265.357 1.728 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 532262801 IESRBGNMSHEHQW-AWEZNQCLSA-N 289.291 1.607 0 50 CDAA Cn1cc(CCCNC(=O)C[C@H]2CCCOC2)cn1 193082695 JFMFVCZUZRRKTP-GFCCVEGCSA-N 265.357 1.286 0 50 CDAA C[C@@H]1CN(C(=O)c2cn(C)nn2)[C@@H](c2ccccc2)CO1 289339178 YZXOHUAAAQWYTH-BXUZGUMPSA-N 286.335 1.417 0 50 CDAA COC(=O)CCNC(=O)[C@H]1CCN(c2ccccc2F)C1 289777789 LPZSUEPULNDZJZ-NSHDSACASA-N 294.326 1.331 0 50 CDAA Cc1cc(=O)cc(C(=O)NCc2cccc(F)c2F)n1C 426621812 VLRZOWZCNGCRBD-UHFFFAOYSA-N 292.285 1.902 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1ccc(C)cc1OC 41096377 VIPBKVQACKSDBK-SNVBAGLBSA-N 273.354 1.053 0 50 CDAA CN1CCO[C@@H](C(=O)Nc2c[nH]nc2-c2ccccc2)C1 178458478 GVGUKPNKZLXWOM-CYBMUJFWSA-N 286.335 1.346 0 50 CDAA CC(C)N1CC[C@@H](NC(=O)c2cccc(C(=O)O)c2)C1=O 236830670 BWEFFPLVVYSHGD-GFCCVEGCSA-N 290.319 1.124 0 50 CDAA OCCn1ccc([C@@H]2CCCN(C3CCOCC3)C2)n1 426606678 BZVIWULBHJUKRG-CYBMUJFWSA-N 279.384 1.234 0 50 CDAA Cc1ccnn1CC(=O)NC[C@H]1COc2ccccc2C1 91551654 JMYRRJWKQUDAMO-ZDUSSCGKSA-N 285.347 1.559 0 50 CDAA O=C(NCc1cccc(-c2ccccc2)c1)[C@H]1CNCCO1 97244155 TXPIYYMRFHCYGQ-QGZVFWFLSA-N 296.370 1.958 0 50 CDAA CCc1csc(-c2nc3c([nH]2)CCCNC3=O)n1 95385541 PYQCCGUUZBYWOO-UHFFFAOYSA-N 262.338 1.772 0 50 CDAA CC[C@@H](C(=O)N(C)Cc1cc(COC)[nH]n1)n1cccn1 91664971 UVHRIZCJARKVNE-ZDUSSCGKSA-N 291.355 1.362 0 50 CDAA COCC[C@@]1(CO)CCCN(c2ccc(C)nn2)C1 91656695 UJJJZTJDOSUKIK-AWEZNQCLSA-N 265.357 1.400 0 50 CDAA COCC[C@]1(CO)CCCN(C(=O)c2ncsc2C)C1 92028089 DUSLWCUKDMCWQT-CQSZACIVSA-N 298.408 1.703 0 50 CDAA CCCn1ncc(C(=O)N2CCC[C@H]2COC)c1C 91645388 JVFSKKIICBCYOV-LBPRGKRZSA-N 265.357 1.853 0 50 CDAA c1ccc(NCCn2cc([C@@H]3CCCNC3)nn2)cc1 95368119 XFGXRXICZHPGEJ-CYBMUJFWSA-N 271.368 1.857 0 50 CDAA CCOC(=O)c1[nH]cnc1C(=O)N(CC)CC(F)(F)F 97742917 OKCNCWLLQZYVIL-UHFFFAOYSA-N 293.245 1.611 0 50 CDAA O=C1CSc2ccccc2N1CCn1cnnc1 95370509 DXXVFSVKLMPLLA-UHFFFAOYSA-N 260.322 1.417 0 50 CDAA 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1.493 0 50 CDAA CN(C[C@H]1CC=CCC1)C(=O)Cn1cc(C(=O)O)cn1 630297858 QVGKJJAYCFLMNU-NSHDSACASA-N 277.324 1.396 0 50 CDAA COCCn1cncc1CNC(=O)c1c(C)noc1C 299789333 ZPHADKAQAMKRCL-UHFFFAOYSA-N 278.312 1.064 0 50 CDAA COc1cc(C(=O)N2CC[C@@](OC)(C(=O)O)C2)ccc1C 630248188 GHEOYKRJWBMKIY-HNNXBMFYSA-N 293.319 1.319 0 50 CDAA O=C(c1n[nH]c2c1CCCC2)N1CCC(C2(O)CC2)CC1 652667991 KCXABNODCDOHSD-UHFFFAOYSA-N 289.379 1.666 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2nc(C)cs2)C1 823820919 FVJIMFZNKKIDPQ-SNVBAGLBSA-N 253.371 1.410 0 50 CDAA CC(C)c1noc([C@H](C)NC(=O)c2cc(O)ccc2N)n1 828909164 PPMNZGPPIRKAJH-QMMMGPOBSA-N 290.323 1.972 0 50 CDAA c1ccc(Cn2ncnc2[C@H]2CCCCn3nnnc32)cc1 820414912 AZOAVYDHHMZPCO-CYBMUJFWSA-N 295.350 1.629 0 50 CDAA Cc1ncc(CN2CCN(C(=O)CC(C)C)CC2)cn1 670446544 HHIWWVJLLNUDAV-UHFFFAOYSA-N 276.384 1.475 0 50 CDAA COCC1(CNC(=O)[C@H]2CC[C@@H](O)CC2)CCC1 670471847 HAKUAVVEKNECSN-TXEJJXNPSA-N 255.358 1.470 0 50 CDAA O=c1c2ncccc2ncn1Cc1noc(-c2ccco2)n1 584900820 MWZNKPRAHIDJFJ-UHFFFAOYSA-N 295.258 1.483 0 50 CDAA COc1ccc([C@@H](C)NC(=O)NCCNC(C)=O)cc1C 670451187 UZOKZTFOHYPXAQ-LLVKDONJSA-N 293.367 1.500 0 50 CDAA CCOc1ccc([C@@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 670416204 ZFABVHMZCWTQFI-JTQLQIEISA-N 299.334 1.514 0 50 CDAA Cc1cc(Cn2nnnc2N2CCCCCC2)on1 685945160 ZIGFQFMIYHMTQK-UHFFFAOYSA-N 262.317 1.398 0 50 CDAA O=C(NCC1(c2ccc(F)cc2)CC1)[C@H]1C[C@H]1C(=O)O 268891278 IRKPZELRABEECM-NWDGAFQWSA-N 277.295 1.694 0 50 CDAA O=C([C@H](F)C(F)(F)F)N1[C@H]2CC[C@H]1c1cncnc1C2 1548737047 QWNTXFUHUQOGAC-JUWDTYFHSA-N 289.232 1.965 0 50 CDAA Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H]2C[C@@H]2C)n1 1457228085 RPXOUWDOGOZCAM-XYJRDEOASA-N 290.367 1.127 0 50 CDAA COCCn1nnnc1N(C)Cc1cc(F)cc(F)c1 1875271227 IICAPXILLJBHTH-UHFFFAOYSA-N 283.282 1.234 0 50 CDAA C[C@@H]1CN(C(=O)c2cnc3c(c2)C(=O)CCC3)CCO1 1875271369 YQAXFDWMFUSITB-SNVBAGLBSA-N 274.320 1.462 0 50 CDAA CC1(C)C[C@H](NCC2(n3cncn3)CC2)C(C)(C)O1 1875397313 VNOVEMSUZYRAAB-NSHDSACASA-N 264.373 1.703 0 50 CDAA Cc1nc(N2CC[C@]3(C2)OC[C@@H]2C[C@H]23)c2cc[nH]c2n1 1875306576 KYTVLYZFOAOXRF-JVLSTEMRSA-N 270.336 1.882 0 50 CDAA C=CC(=O)NCCNC(=O)C1(c2cccs2)CC1 1875367571 OZHVVLQQRJAPHT-UHFFFAOYSA-N 264.350 1.198 0 50 CDAA CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCN3)cc2)CC1 952984746 AJBVKJGPLGFXOK-HNNXBMFYSA-N 289.379 1.460 0 50 CDAA CCOC(=O)CN(C)C(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C 878485729 JWCXVSOFAIJZME-ZANVPECISA-N 279.340 1.097 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)c2cn(C)c(C)cc2=O)c1 952979504 WQJZBQKCOJQPIA-UHFFFAOYSA-N 299.374 1.978 0 50 CDAA CCCC[C@@H]1C=CCN1C(=O)Cn1cccnc1=O 952975130 HFOHAWSMOXJSBB-GFCCVEGCSA-N 261.325 1.201 0 50 CDAA COc1cc2c(cc1CN[C@H](C)c1n[nH]c(C)n1)OCO2 894774387 RFXVOGKWSDKHPI-MRVPVSSYSA-N 290.323 1.701 0 50 CDAA CC(C)C[C@@H]1CCCN1C(=O)NCC1CC(N)C1 892735514 UWXKJBKLERQNFC-BPCQOVAHSA-N 253.390 1.944 0 50 CDAA CC[C@H]1CN(C(=O)NCc2cc(OC)no2)C[C@H](C)O1 888097327 FFCIWKYMPJOTTA-UWVGGRQHSA-N 283.328 1.392 0 50 CDAA CCC1=NO[C@H](CN(C)Cc2snnc2C)C1 244795364 REWXOOACFVPBPH-JTQLQIEISA-N 254.359 1.833 0 50 CDAA Cc1nonc1CC(=O)N1CCC(NC2CCC2)CC1 889823555 JLICFBKLWHAJPX-UHFFFAOYSA-N 278.356 1.054 0 50 CDAA NC[C@H]1CN(Cc2ccccc2)Cc2nccn2C1 1775956072 NRUFRUCMEWZPJE-AWEZNQCLSA-N 256.353 1.474 0 50 CDAA C[C@@H](C[C@@H](C)O)NC(=O)c1cc(O)nc2c1CCCN2 1776006053 MAANVFCMZVSFLN-DTWKUNHWSA-N 279.340 1.035 0 50 CDAA CC(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F 222830641 VEJNGSUMKHWBKF-MRVPVSSYSA-N 275.226 1.626 0 50 CDAA C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cc(-n2ccnc2)ccn1 408144386 JUYHZWCVCBFUIG-OLZOCXBDSA-N 299.378 1.432 0 50 CDAA CC1(C)[C@H](O)CCN1C(=O)c1cc(-c2ccncc2)on1 408241191 UKPICWZNAKHEQA-CYBMUJFWSA-N 287.319 1.722 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCn2nc(C)nc2C1 408274867 PWWVJMFATLIODW-NEPJUHHUSA-N 278.356 1.134 0 50 CDAA Fc1cncc(-c2cn(CCO[C@H]3CCOC3)nn2)c1 899736201 XCEQXVZZGKVGEL-LBPRGKRZSA-N 278.287 1.285 0 50 CDAA Cc1ncoc1CNC(=O)[C@H]1CCN(CC(F)(F)F)C1 1364410686 BBXXFKVIBLCAFR-VIFPVBQESA-N 291.273 1.483 0 50 CDAA O=C1NC(=O)[C@]2(CCc3ccc(Br)cc32)N1 165130976 ZHUCFBRTGREBGZ-LLVKDONJSA-N 281.109 1.430 0 50 CDAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cncs1 585082001 ONKPPKVXRPOCMV-INTQDDNPSA-N 276.365 1.858 0 50 CDAA O=C(NCCc1ccc2c(c1)OCCO2)O[C@@H]1CCOC1 585135229 SLWNQPFILMHRRR-GFCCVEGCSA-N 293.319 1.515 0 50 CDAA Cn1cccc1C(=O)NC[C@@H]1CCc2cccnc21 585122610 GRKJGIZDJPRPOB-LBPRGKRZSA-N 255.321 1.880 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@H]2c2nnc(C)o2)c(C)o1 275434851 RXBAWHNLOZUSAM-LBPRGKRZSA-N 291.307 1.802 0 50 CDAA O=C(NCc1nccs1)Nc1ccc(F)cn1 170084745 IJUNJOMJKSNTEV-UHFFFAOYSA-N 252.274 1.999 0 50 CDAA COC(=O)[C@H]1CC[C@@H](NC(=O)c2ccnc3[nH]cnc23)C1 279100831 PHJIXIJQIKTRID-DTWKUNHWSA-N 288.307 1.029 0 50 CDAA C[C@H](OC(=O)[C@@H](C)N(C)CC(F)(F)F)[C@H]1CCOC1 170619584 CNHCTEJWZIYUCS-UTLUCORTSA-N 283.290 1.837 0 50 CDAA COCCC(=O)Nc1cccc(C(=O)OC)c1N 170619905 OHYHJAGCEZAWGC-UHFFFAOYSA-N 252.270 1.030 0 50 CDAA CC(C)CN1CCN(c2ccnc3c2cnn3C)CC1=O 281107087 FVPINFRIEQRLIG-UHFFFAOYSA-N 287.367 1.273 0 50 CDAA CO[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2C)C1 191042851 DPGMGRKKCGKMDI-KGLIPLIRSA-N 283.393 1.982 0 50 CDAA O=C(O)c1ccc(N2CC[C@@H](CNc3ccccn3)C2)nn1 649388181 ZJUZBTRWELRPKD-NSHDSACASA-N 299.334 1.508 0 50 CDAA O=C(O)[C@@]1(C(=O)NCc2cscn2)CC=CCC1 653304707 VCTRFZRIDWKFTJ-LBPRGKRZSA-N 266.322 1.570 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)NC[C@@H]1CCCCO1 583623960 HFKGZCKVFBEYJO-STQMWFEESA-N 292.383 1.314 0 50 CDAA CCCCNC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 249808598 BBVHHJFTMLZPAY-UPJWGTAASA-N 282.384 1.620 0 50 CDAA CN(Cc1nncn1C)[C@@H]1CCC(=O)N(CC2CC2)CC1 1506424165 ZDMOQXXNUIQWKW-CYBMUJFWSA-N 291.399 1.038 0 50 CDAA Cc1cc([C@H]2CCCN2C(=O)/C=C/c2cnc(N)nc2)on1 1506395066 AYLUNPBKRFFRMG-ZYOFXKKJSA-N 299.334 1.732 0 50 CDAA Cc1cc(C)n(CCCN(C)C[C@H](O)C2CCNCC2)n1 1857677372 YUPBPBXRMXFXNK-INIZCTEOSA-N 294.443 1.182 0 50 CDAA Cc1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)o1 461701 ZQASEDXTLUSBAI-AATRIKPKSA-N 298.346 1.740 0 50 CDAA Cc1cc(O)cc(=O)n1Cc1nc2ccccc2[nH]1 1547201092 VTEYXQJIGDGPLS-UHFFFAOYSA-N 255.277 1.787 0 50 CDAA CN(C)c1nc(NCCc2cn[nH]c2)ncc1F 1704326068 VMXDEVTUMUWDMU-UHFFFAOYSA-N 250.281 1.059 0 50 CDAA CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1 4014675 CWJQQASJVVAXKL-UHFFFAOYSA-N 254.267 1.046 0 50 CDAA in-vitro Fc1ccc(N2CC[C@H](N3CCCNCC3)C2)cc1 259453275 WIRDEYVOVZBSMA-HNNXBMFYSA-N 263.360 1.700 0 50 CDAA COCCc1noc(CN2CCCc3occc3C2)n1 367986654 ARNPBXRFKWKACF-UHFFFAOYSA-N 277.324 1.800 0 50 CDAA CS(=O)(=O)N1CCC[C@H]1c1noc(C2CCC2)n1 252532946 FMPCTMSWLMJWTC-VIFPVBQESA-N 271.342 1.434 0 50 CDAA CC(C)NC(=O)[C@H]1CC(=O)N(c2nccs2)C1 363581074 UWSISNSTCUFMLU-QMMMGPOBSA-N 253.327 1.021 0 50 CDAA CCn1nncc1CNC(=O)[C@H](CN)C1CCCCCC1 1615547085 NTVLUYJKWCLJFY-CQSZACIVSA-N 293.415 1.460 0 50 CDAA COCCN1CCN(C[C@@H]2CC[C@H](C(=O)OC)C2)C[C@H]1C 1615585441 GFYRHWRMTKOGQV-KFWWJZLASA-N 298.427 1.228 0 50 CDAA Cc1ccc(N2C(=O)C[C@@H](N3CCCC3)C2=O)cc1 5112708 QXHGQUSYOJLVCB-CYBMUJFWSA-N 258.321 1.723 0 50 CDAA Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1C 16580767 ZOVNJMCCPIPPSV-UHFFFAOYSA-N 296.392 1.021 0 50 CDAA Oc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 18060250 MBCPDYAOIFEIMD-UHFFFAOYSA-N 273.296 1.157 0 50 CDAA Cc1cccc(OCC(=O)OCCN2CCOCC2)c1 19235147 MDQQXAVPEQUFER-UHFFFAOYSA-N 279.336 1.249 0 50 CDAA CCC[C@]1(CO)CCN(C(=O)c2cncc(C)c2)C[C@H]1O 1857721796 GRIIWAIQEJZLNY-GDBMZVCRSA-N 292.379 1.376 0 50 CDAA O=C(N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1CO)c1c(O)cccc1F 241124134 JFWFRDXQHCVFGT-LFNDISMMSA-N 279.311 1.668 0 50 CDAA COC(=O)[C@H](Cc1cnc[nH]1)NCc1ccccc1 402730 ZVJJJFLRYHVRLN-ZDUSSCGKSA-N 259.309 1.284 0 50 CDAA in-vitro C[C@H](Cc1ccccc1F)NCc1nc(N(C)C)no1 225600984 UUQFVMNPBWYSTK-SNVBAGLBSA-N 278.331 1.996 0 50 CDAA C[S@@](=O)c1cccc(NC(=O)COC[C@H]2CCCO2)c1 113183327 VWUZOANJXUNRCH-ODXCJYRJSA-N 297.376 1.558 0 50 CDAA Cc1cc2c(cc1C)N[C@@H](CC(=O)NC(C)C)C(=O)N2 4189064 QPZLGDYGWUUTHS-ZDUSSCGKSA-N 275.352 1.951 0 50 CDAA COC1CCN(C(=O)N2CC[C@H](c3cnn(C)c3)C2)CC1 329899205 FIDJDCRIOAAGDN-LBPRGKRZSA-N 292.383 1.440 0 50 CDAA COc1nc(C)cc(C)c1CNC(=O)c1n[nH]c(C)c1C 330610634 NQROVXISHFUVIO-UHFFFAOYSA-N 288.351 1.977 0 50 CDAA C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)[C@@H](C)C(=O)O 133068033 XVDQADRMVGUWEZ-GHMZBOCLSA-N 287.319 1.711 0 50 CDAA CCn1ncc(CN2c3ccccc3CCS2(=O)=O)n1 902841595 AVCNRIAWPAWDSX-UHFFFAOYSA-N 292.364 1.191 0 50 CDAA CCCCc1ncc(CN2C[C@@H]3COC[C@H](C2)N(C)C3)[nH]1 1704325388 LAEJXGFEUMRTDP-HIFRSBDPSA-N 292.427 1.515 0 50 CDAA O=C([C@@H]1CC[C@H]2CCCCN12)N1CC(OC(F)F)C1 907581141 BQCWEQBAQGDIMM-KOLCDFICSA-N 274.311 1.453 0 50 CDAA Cc1cc(CCC(=O)N2CCC(CC(=O)O)CC2)no1 908677806 DQHQJQGCZVBYJF-UHFFFAOYSA-N 280.324 1.629 0 50 CDAA COc1cncc(Cn2ccnc2[C@H](O)c2cccnc2)c1 809999231 KESMJCNEPIGAKG-OAHLLOKOSA-N 296.330 1.812 0 50 CDAA O=C(c1cccnc1)N1CCC(N2CC=CC2)CC1 102057587 NLUNVYUQSMFEGM-UHFFFAOYSA-N 257.337 1.558 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)c1ccc(C(=O)O)s1 237231975 IFFLPSSPTMQYJU-QMMMGPOBSA-N 269.322 1.555 0 50 CDAA COc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 252482069 CXHTVDQTZDNEPB-UHFFFAOYSA-N 284.381 1.021 0 50 CDAA CN(C)C[C@@H]1CCN(CCn2cc(Cl)cn2)C1 459345586 NUISUICWTBTFBL-NSHDSACASA-N 256.781 1.420 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@H](CO)CC2)c(O)n1 332253821 YSQNETODCPHTTJ-NSHDSACASA-N 264.325 1.330 0 50 CDAA O=C(O)[C@@H]1CC12CCN(S(=O)(=O)c1ccco1)CC2 575349072 WZAFRVJLIYRTEO-VIFPVBQESA-N 285.321 1.155 0 50 CDAA O=C(Nc1ccn[nH]1)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 5819384 IHNUDDWKNLWZCH-SFYZADRCSA-N 269.688 1.582 0 50 CDAA O=C(N[C@H](c1ccccc1)c1nn[nH]n1)[C@@H]1CC1(F)F 2325750500 BLXOKRLSFZGZIN-DTWKUNHWSA-N 279.250 1.061 0 50 CDAA O[C@@](C1=NCCN1)(c1ccc(Cl)cc1)c1ccccn1 201 DITYEPYMBCHKLF-HNNXBMFYSA-N 287.750 1.973 0 50 CDAA in-man O=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 335661 PXFCWISLHMAPNY-UHFFFAOYSA-N 272.304 1.313 0 50 CDAA CCS(=O)(=O)CCN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 250247747 PZAVNJFWDOCEFN-TUAOUCFPSA-N 289.397 1.139 0 50 CDAA COc1ccc(COC[C@H](O)CNC(C)C)cc1 3122987 GOAPGSMNVDOHLI-CYBMUJFWSA-N 253.342 1.571 0 50 CDAA c1cc2c(c(-c3nc(N4CCOCC4)n[nH]3)c1)OCC2 2356156899 VYZORFWMHANYQR-UHFFFAOYSA-N 272.308 1.243 0 50 CDAA COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@]314 4217170 HKOIXWVRNLGFOR-KOFBORESSA-N 285.343 1.159 0 50 CDAA world COCC(C)(C)CNC(=O)c1cn(C2CCOCC2)nn1 343457308 WSHIETMZBADPQE-UHFFFAOYSA-N 296.371 1.032 0 50 CDAA COC(=O)C1CCN(C(=O)c2ccc3nccnc3c2)CC1 4867476 NJBQKVGUNGVSBA-UHFFFAOYSA-N 299.330 1.655 0 50 CDAA CC(C)(C)N[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1=O 4978247 MPGQXJYIRKWKKA-JTQLQIEISA-N 290.319 1.435 0 50 CDAA COC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 6697996 SPRGBXNKRUHQAC-CHWSQXEVSA-N 290.363 1.499 0 50 CDAA CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 6678420 JNEQDWYKRPFOQI-RYUDHWBXSA-N 260.337 1.954 0 50 CDAA COC(=O)c1c[nH]cc2c(=O)n(-c3ccccc3)nc1-2 101679897 XGKGAOXVZNOKQE-UHFFFAOYSA-N 269.260 1.452 0 50 CDAA Cc1[nH]c(=O)c(C(=O)N[C@H]2CCOC2)cc1-c1ccccc1 225502484 RBMKZNXKNDKKRW-ZDUSSCGKSA-N 298.342 1.869 0 50 CDAA CCOC(=O)NN1C(=O)[C@H]2CCC(=O)[C@@]1(C)C2(C)C 101136774 NRBDYZXPMGPMMZ-OQPBUACISA-N 268.313 1.254 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1cccc(C(N)=O)c1 343820951 IMVGYTSNXOYJMF-UONOGXRCSA-N 278.352 1.021 0 50 CDAA CCOC(=O)C1=NO[C@H](COc2ccccc2C=O)C1 1391781 MPAUAEHICOXSQE-NSHDSACASA-N 277.276 1.586 0 50 CDAA COc1cc(C(=O)N2CC[C@H](C(=O)O)C2)ccc1F 134060596 GNKLDAYYGBOUDD-VIFPVBQESA-N 267.256 1.381 0 50 CDAA CCN(Cc1noc(CC(C)C)n1)C(=O)[C@@H]1CCCO1 55088277 LTVPSYXPMDKOCB-NSHDSACASA-N 281.356 1.796 0 50 CDAA CCC(=O)c1ccc(OCC(=O)N[C@@H](CO)C(C)C)cc1 55325197 ZFIIKPKDJLSRSE-AWEZNQCLSA-N 293.363 1.791 0 50 CDAA NC[C@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C1 67982053 LIIGSTKTQLUFEX-GFCCVEGCSA-N 269.352 1.319 0 50 CDAA CCn1cc(CCN2CC[C@H](C)[C@H](OC)C2)cn1 348191591 VXXTXPUCMDWYCN-GXTWGEPZSA-N 251.374 1.802 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1 150982999 KQBSMLNSBJABLE-CQSZACIVSA-N 284.363 1.696 0 50 CDAA Cn1cnnc1[C@H]1CCCN1C(=O)COC1CCCCC1 120011005 IDLDRSBQWBFRGM-CYBMUJFWSA-N 292.383 1.828 0 50 CDAA Cc1ccc([C@@H]2C[C@H]2C(=O)NC(C)(CO)CO)s1 120551766 IBDVPVKZEKBVMY-NXEZZACHSA-N 269.366 1.020 0 50 CDAA Cc1ccc(CN(CCN(C)C)CC(=O)O)s1 63872191 SYQVIPLYVDQCNV-UHFFFAOYSA-N 256.371 1.505 0 50 CDAA O[C@@H]1CCCC[C@H]1[C@@H]1CCCN1c1nccn2cnnc12 281705108 BZGXJBSLIKVDAS-RWMBFGLXSA-N 287.367 1.644 0 50 CDAA CN(C[C@@H](O)Cc1ccccc1)C[C@@H]1CCc2nccn2C1 328653045 WSHLJZKGFROIKP-IRXDYDNUSA-N 299.418 1.981 0 50 CDAA Cc1nc(C2CCN(C(=O)C(=O)c3ccco3)CC2)n[nH]1 215008616 IIRLXYSJJGUTIQ-UHFFFAOYSA-N 288.307 1.295 0 50 CDAA O=C(O)CN1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 77376974 XLUUFRCHHVPVME-LLVKDONJSA-N 263.272 1.924 0 50 CDAA OC1=NC[C@@]2(CCN(c3nccnc3C(F)F)C2)C1 329261076 BBUUMXHFASMJQX-GFCCVEGCSA-N 268.267 1.971 0 50 CDAA CN(Cc1nc(-c2ccncc2)no1)C[C@H]1CCNC1 77519453 RMESZVDONGYPLK-NSHDSACASA-N 273.340 1.173 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 71792266 NQFMEKCHBQAPAY-OTMMVIPVSA-N 285.299 1.920 0 50 CDAA O=C(O)[C@]12COC[C@H]1CN(Cc1cccc(Cl)c1)C2 662220731 UOSCPYDOTRINFB-BXUZGUMPSA-N 281.739 1.873 0 50 CDAA O=C(Cc1noc([C@@H]2C[C@H]2C2CC2)n1)N1CCCC1 333212086 PWCXBHKKMRNJEL-WDEREUQCSA-N 261.325 1.748 0 50 CDAA CN(CCc1ccccn1)c1cc(C2CC(N)C2)nc(N)n1 219073706 YDMDOJNXJVDPMP-UHFFFAOYSA-N 298.394 1.337 0 50 CDAA CC[C@H](NC(=O)c1n[nH]c(N)n1)c1nc(C)c(C)s1 71712113 HADYNMOMNDIMCS-ZETCQYMHSA-N 280.357 1.341 0 50 CDAA COc1ccsc1S(=O)(=O)N1CCCC[C@@H]1CN 237119010 VJMFHYOFXORZMA-SECBINFHSA-N 290.410 1.259 0 50 CDAA NS(=O)(=O)c1c(F)cc(Cl)cc1Br 36533112 GUHSTTPNPWDEJZ-UHFFFAOYSA-N 288.525 1.889 0 50 CDAA COc1cc2c(cc1CN1CCN[C@@H](C(=O)O)C1)CCC2 71764396 FSNLBZPVKWCVSB-CQSZACIVSA-N 290.363 1.042 0 50 CDAA CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@H]1CCOC1 77406481 BPNXFNHYXGIUCI-AWEZNQCLSA-N 285.347 1.867 0 50 CDAA O=C(O)[C@H]1CN(C(=O)C2CCSCC2)C[C@@H]1C1CC1 262079756 KOIRRKIDWFRDIV-NEPJUHHUSA-N 283.393 1.699 0 50 CDAA CC1=C(C)C[C@@H](C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 335361264 XGTHUBUGMQWJJA-QWHCGFSZSA-N 285.409 1.816 0 50 CDAA Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)C(=O)NCC3)n1 604969362 BGRGEAOBJZGPLW-UHFFFAOYSA-N 298.346 1.425 0 50 CDAA CCn1cc(C(=O)NC[C@H](C(=O)O)c2ccccc2)cn1 262542612 VHJIDIOBBMZWJW-ZDUSSCGKSA-N 287.319 1.501 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCc3ccccc3C2)nc(N)n1 313408277 YMLOAYFTBRSFFX-CYBMUJFWSA-N 282.347 1.655 0 50 CDAA Cc1cnccc1CC(=O)N[C@H]1CCC(=O)NC12CCC2 283634650 NJAKJSVQSUQPTP-ZDUSSCGKSA-N 287.363 1.250 0 50 CDAA CC1(C)O[C@@H](COCc2ccccc2)[C@@H](C(=O)O)O1 43199064 DQPNTANZJZDUMP-RYUDHWBXSA-N 266.293 1.808 0 50 CDAA Cc1nc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)c(C)o1 77541736 RISGNVUDXWFCJH-SNVBAGLBSA-N 293.367 1.620 0 50 CDAA Cc1ccc(CCNC(=O)N2C[C@@H](F)C[C@@H]2CO)nc1 459203553 TWBRVNUQRQJNAR-WCQYABFASA-N 281.331 1.047 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 131903811 PSGHZDRHNBYWDR-YUELXQCFSA-N 275.396 1.142 0 50 CDAA Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3cccnc3)C2)n1 220738324 LAQWKKAWCCAMRB-OAHLLOKOSA-N 284.363 1.911 0 50 CDAA FC(F)(F)c1ccnc(NCCc2c[nH]cn2)n1 87544390 YCPIWRPZBWNCDC-UHFFFAOYSA-N 257.219 1.873 0 50 CDAA COC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 226730733 KDUNRPYUBJOQOJ-OEUWWYETSA-N 299.326 1.142 0 50 CDAA CC(=O)NC(C)(C)C(=O)NCc1cc(C2CC2)on1 426594755 AQYIWEMMNSXZSI-UHFFFAOYSA-N 265.313 1.083 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCCc1ccccc1 137756034 QNMKUAYWBNBHJI-YIYPIFLZSA-N 289.331 1.224 0 50 CDAA CCN1CCC[C@H]1CNCc1cnnn1Cc1ccccc1 291934049 MGFZERMEPRMREJ-INIZCTEOSA-N 299.422 1.900 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1CCOC[C@H](C2CCC2)C1 292586942 QFAFTEBSKXMIOA-CQSZACIVSA-N 291.395 1.926 0 50 CDAA Nc1nc(-c2cc(F)cc(F)c2)cc(N2CCOCC2)n1 97681958 XNEOXMUJOBPWHA-UHFFFAOYSA-N 292.289 1.841 0 50 CDAA Cc1cnn(CCCN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)c1 91770172 JVLPOKMXDPQKTJ-UONOGXRCSA-N 277.368 1.624 0 50 CDAA C/C(=C\c1ccccc1)CN1CCO[C@H](C(N)=O)C1 179793036 DSISZLPYVATPBF-TZIYXEQSSA-N 260.337 1.276 0 50 CDAA CC(C)Cc1noc(CNC(=O)c2cncc(F)c2)n1 426477351 HSNGVMGYWYGTLY-UHFFFAOYSA-N 278.287 1.732 0 50 CDAA O=C(NCCN1CCCC1)c1ccccc1-c1nc[nH]n1 97618992 DZCYWXCIHLSASP-UHFFFAOYSA-N 285.351 1.297 0 50 CDAA COc1cc(C(=O)NCCn2ccnn2)c2ccccc2n1 426651170 AOJVAOVDYWMLQG-UHFFFAOYSA-N 297.318 1.265 0 50 CDAA CCCc1cc(C(=O)N[C@@H](C)Cc2cnccn2)[nH]n1 91444681 JOPQJZBFOQGYHY-JTQLQIEISA-N 273.340 1.513 0 50 CDAA C[C@@H]1CCCCN1C1CN(C(=O)c2cc(C3CC3)[nH]n2)C1 95362932 KYQBLAUDROWPTF-LLVKDONJSA-N 288.395 1.986 0 50 CDAA COCCC(=O)N1C[C@@H](N(C)C)[C@H](c2ccc(C)cc2)C1 95507406 RDYQYDWPTQACDJ-JKSUJKDBSA-N 290.407 1.888 0 50 CDAA C1CCN(CCc2nc([C@H]3CCOC3)no2)CC1 96162800 DSGKJFPNPMVKKI-NSHDSACASA-N 251.330 1.602 0 50 CDAA CC(C)Cc1cc(C(=O)NCCn2cccc2)n(C)n1 92001456 UBFACCZBUNXRFE-UHFFFAOYSA-N 274.368 1.850 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2ccc(-c3nc[nH]n3)cc2)n[nH]1 343371603 VTAISRGDWMAORO-QMMMGPOBSA-N 297.322 1.389 0 50 CDAA CC[C@H](NC(=O)CN(C)Cc1cccnc1)[C@H]1C[C@@H](O)C1 243956779 CDTXFTMETMENQK-ZNMIVQPWSA-N 291.395 1.179 0 50 CDAA CCc1nc(CN2CCN[C@@H](c3ccccc3)C2)no1 244872943 WHJDHYBTZFAPBX-CYBMUJFWSA-N 272.352 1.779 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)C1 245289613 DAPHBKMTRULEHV-JHJVBQTASA-N 272.414 1.695 0 50 CDAA Cc1nnc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1 183333530 IQFWFIZBXMCOSW-WDEREUQCSA-N 275.333 1.235 0 50 CDAA CC[C@H](C)[C@H](CO)NC(=O)c1cc(-c2cccnc2)[nH]n1 252494310 NRRKZKMFXALGSL-HZMBPMFUSA-N 288.351 1.609 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)NC[C@H](O)c1ccccc1F 299739478 OWYDTWTWLSRIER-RTXFEEFZSA-N 266.316 1.103 0 50 CDAA c1nsnc1-c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 252537741 MEYFZROJOKQVSY-PSASIEDQSA-N 293.352 1.514 0 50 CDAA CCOCC(=O)NC[C@@H]1CCN(C2CCCCC2)C1 534655005 XRCZRYVLLVSMIJ-ZDUSSCGKSA-N 268.401 1.794 0 50 CDAA O=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cnn[nH]1 534633016 YSSMJBPPOSDOQH-LLVKDONJSA-N 277.372 1.189 0 50 CDAA O=C(C[C@@H]1CC1(F)F)NCC1(Cn2ccnc2)CC1 534633034 BNKLRWKHYCWXPT-SNVBAGLBSA-N 269.295 1.825 0 50 CDAA CC(C)(C)n1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1 534576738 FCZTZEUFUKCYOC-JTQLQIEISA-N 296.323 1.291 0 50 CDAA CNC(=O)[C@@H]1CCCCN1C(=O)c1c(Cl)c(C)nn1C 299779487 RYTZSWJRXHCRRS-VIFPVBQESA-N 298.774 1.123 0 50 CDAA Cc1cc(F)cc(NC(=O)N2CCC(O)(CO)CC2)c1 299774047 FHQQSAREFYGTLS-UHFFFAOYSA-N 282.315 1.485 0 50 CDAA CC(C)[C@H](NC(=O)c1cnccn1)c1nccn1C 299793250 IBKZWNFVCYTZHL-NSHDSACASA-N 259.313 1.337 0 50 CDAA CC[C@@H]1NC(=O)N(C[C@H](O)Cc2cccc(Cl)c2)C1=O 864095896 LTOXGFONGOKJDG-NEPJUHHUSA-N 296.754 1.574 0 50 CDAA Cc1cc(S(=O)(=O)NCCc2ccncc2)sn1 866965815 OWWPLMNAVKMRMK-UHFFFAOYSA-N 283.378 1.368 0 50 CDAA C[C@@H]1CC[C@H](c2ccc(NS(C)(=O)=O)cc2)CN1 757216177 YFZMMQOOIVEXHT-PWSUYJOCSA-N 268.382 1.914 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1 1875273450 YPOILDFPNTYKGJ-WNTXTPNSSA-N 291.347 1.305 0 50 CDAA C[C@@H]1C(=O)NCCN1C(=O)c1cc(O)c2sccc2c1 1875265031 ASTZFISASZHYFP-MRVPVSSYSA-N 290.344 1.567 0 50 CDAA O=C(NC1[C@@H]2C[C@@H]2[C@H]2C[C@@H]12)c1cc(O)nc(C2CC2)n1 1875308435 GJGZLDAHMHZEPD-ZYUZMQFOSA-N 271.320 1.444 0 50 CDAA C=CC(=O)NCCC(=O)N1CCC[C@@]2(CCCC[C@H]2O)C1 1875370296 JOZVEIVXTJIXHC-CJNGLKHVSA-N 294.395 1.222 0 50 CDAA CN(CC1(N)CC1)C(=O)c1cn(-c2ccccc2)cn1 1875315383 RYTKDDIQIYQXCD-UHFFFAOYSA-N 270.336 1.436 0 50 CDAA Cc1nccnc1[C@H](C)NC(=O)c1cnn(C)c1C(F)F 874669822 PUHFNQOIJNFJRP-QMMMGPOBSA-N 295.293 1.947 0 50 CDAA Cc1cnn(C)c1CN1CC(C)(C)NC(C)(C)C1 888095804 HDARODHULUSVGG-UHFFFAOYSA-N 250.390 1.691 0 50 CDAA COc1cccc(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)n1 888079307 VLDXZBJJTTZERR-CHWSQXEVSA-N 288.351 1.775 0 50 CDAA C[C@@H](Oc1cccnc1)C(=O)NC1(c2ccccc2)COC1 888566372 RSNVKJVQAMGMIG-CYBMUJFWSA-N 298.342 1.891 0 50 CDAA COC(CNC(=O)c1[nH]c(C)c(C(C)=O)c1C)OC 44842006 YNTRBSYQQBJFRL-UHFFFAOYSA-N 268.313 1.183 0 50 CDAA in-vitro Clc1cnn(CCN2CCC3(CCNCC3)C2)c1 244641205 GLHZSMPUJSSRQE-UHFFFAOYSA-N 268.792 1.612 0 50 CDAA Cc1cc(C[C@H](C)Nc2cncc(-n3cncn3)n2)n[nH]1 1337073101 KHUKCJAHOOXADD-VIFPVBQESA-N 284.327 1.132 0 50 CDAA CC(C)Cc1ccc(CN2CCC[C@@H]2C(N)=O)cn1 894738448 PDKORGWRGYDFTP-CQSZACIVSA-N 261.369 1.730 0 50 CDAA CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2[C@@H](CF)[C@@H]2C1 1775986507 ITARNCAIRFWPNC-RTCCRHLQSA-N 275.331 1.945 0 50 CDAA O=C(c1cccc(O)c1F)N1CC[C@H](c2ncccn2)C1 1364251657 CRRBTZZBJZCYKM-JTQLQIEISA-N 287.294 1.951 0 50 CDAA Cc1cc2cccc(C(=O)N[C@@H]3CNCC[C@@H]3O)c2o1 1565530754 GSVPSJGAFUULEH-OLZOCXBDSA-N 274.320 1.194 0 50 CDAA C[C@H](C(=O)NC1(CO)CCOCC1)c1cccs1 272431871 QVGGDQQXPCICNP-JTQLQIEISA-N 269.366 1.509 0 50 CDAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NC[C@@H]2CC=CCC2)cn1 275636722 SRTCVIPRFVJBQK-XPKDYRNWSA-N 288.395 1.686 0 50 CDAA Cc1n[nH]cc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1 276334401 RORWHDQNVMGGFF-UONOGXRCSA-N 290.371 1.075 0 50 CDAA CN(CCOCCO)CCC(=O)c1ccc(Cl)cc1 302359213 KTHCANDNQHNJNB-UHFFFAOYSA-N 285.771 1.854 0 50 CDAA CN(Cc1cc[nH]n1)C[C@@H]1CCCO[C@H]1c1nccn1C 667617878 DEFNPLOQHLEBTP-GXTWGEPZSA-N 289.383 1.743 0 50 CDAA CN(Cc1csc2ccccc12)C(=O)[C@H]1C[C@H](O)CN1 277450098 HGSJVZJSUOUEAJ-WCQYABFASA-N 290.388 1.583 0 50 CDAA COC(=O)c1[nH]c(C)c(C(=O)NCc2cccnn2)c1C 278001617 QSYRKHMYUFNWHV-UHFFFAOYSA-N 288.307 1.138 0 50 CDAA O=C([C@@H](O)C1CC1)N1CCC(c2nccs2)CC1 667946376 HUPNEPIPFLDWJI-NSHDSACASA-N 266.366 1.620 0 50 CDAA COc1nccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)n1 278515417 BVPYYMAOCQUAHK-QWRGUYRKSA-N 292.339 1.564 0 50 CDAA CC(C)c1nnc(N[C@@H](C)Cn2cncn2)s1 170604169 NMYMWLAQPTUDGC-QMMMGPOBSA-N 252.347 1.754 0 50 CDAA Cc1ncc(Cn2cnc3sc(C)cc3c2=O)cn1 671655291 HUMWWXWDSQWVMB-UHFFFAOYSA-N 272.333 1.913 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2scnc2C)C1(C)C 188886404 NLDXQJFETZNPAB-YGRLFVJLSA-N 298.408 1.747 0 50 CDAA O=C1CC[C@](C(=O)NCc2ccoc2)(c2ccccc2)CN1 557570197 LYCXIQUMGPEILU-QGZVFWFLSA-N 298.342 1.744 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cnc(C)nc2)C1 643773040 AAZPZTUHGPEHOI-OLZOCXBDSA-N 273.340 1.470 0 50 CDAA c1cncc(CCNc2cc(N3CCOCC3)ncn2)c1 192272260 KLQVTWKQDSKIPO-UHFFFAOYSA-N 285.351 1.363 0 50 CDAA CCOC(=O)C[C@H](NCc1ccccc1)C(=O)OCC 196356243 QEVYTOKQIQYNKZ-ZDUSSCGKSA-N 279.336 1.661 0 50 CDAA in-vitro O=C(CN1CCC(c2ccco2)CC1)Nc1cnccn1 661161759 XSPSRNPTHPUIBA-UHFFFAOYSA-N 286.335 1.888 0 50 CDAA O=C(N[C@@H]1CCNC1)c1c[nH]nc1-c1ccccc1 91818871 BUHDFNLUUNFLBR-LLVKDONJSA-N 256.309 1.168 0 50 CDAA O=C(c1cn[nH]c1)N1CC(OCc2ccccc2F)C1 1857686249 NGPHWBWLWINSGH-UHFFFAOYSA-N 275.283 1.590 0 50 CDAA CN1CCc2cc(-c3nnc4ccccn34)cnc21 1875246471 IRAQHBRFBPJCQS-UHFFFAOYSA-N 251.293 1.784 0 50 CDAA Cc1noc(CNc2ccc3c(c2)C(=O)NCC3)n1 604996729 CCMMZBXMNQBMHL-UHFFFAOYSA-N 258.281 1.276 0 50 CDAA Cn1cncc1CN(CCO)C(=O)CCC1CCCC1 1704313207 GYNBGWPFWWTMFV-UHFFFAOYSA-N 279.384 1.711 0 50 CDAA O=C(O)[C@]12CN(Cc3cccc(F)c3F)C[C@@]1(C(=O)O)C2 1704310778 SFORSNRSNDZOPC-OKILXGFUSA-N 297.257 1.326 0 50 CDAA O=S1(=O)CCCN1c1cccc(Br)c1 19437448 PDZFOXCQQCMSHZ-UHFFFAOYSA-N 276.155 1.989 0 50 CDAA in-vitro CN(CC1(O)CCOCC1)c1nc(C2CC2)ns1 162172768 WOBFQUXJXDDVRP-UHFFFAOYSA-N 269.370 1.393 0 50 CDAA CO[C@@H]1CNC[C@@H]1NC(=O)CCC(=O)c1ccc(C)s1 1615548511 MVTZZNTZGIGHKQ-CMPLNLGQSA-N 296.392 1.122 0 50 CDAA N[C@]12CCC[C@@H]1CN(C(=O)c1cc3cccn3cn1)C2 1615555042 XEMIOWOKXXTPNM-ABAIWWIYSA-N 270.336 1.288 0 50 CDAA COc1ccc(-c2cnc3nonc3n2)cc1OC 1848444083 JDCRAURTDHLKOY-UHFFFAOYSA-N 258.237 1.697 0 50 CDAA c1ccc2c(c1)Cn1c(nnc1[C@H]1CCCNC1)CO2 1772808001 DXALVKMKGPZPED-NSHDSACASA-N 270.336 1.686 0 50 CDAA Cc1ncc(Cl)c(N2CC[C@@H](CN(C)C)C2)n1 1772701988 CSWORCAUGYLADY-JTQLQIEISA-N 254.765 1.826 0 50 CDAA CC[C@H]1CN(c2nnc(C(C)(C)N)o2)CCN1C(C)C 1772707145 WLDXUYWVEUCIPL-NSHDSACASA-N 281.404 1.572 0 50 CDAA NCc1nnc(NCCCn2ncc3ccccc32)o1 1772709196 INHIVYJNORBGKJ-UHFFFAOYSA-N 272.312 1.380 0 50 CDAA CCc1c(C)sc(N)c1C(=O)N1CCOCC1 5985030 NXUCIAWJTFTFHW-UHFFFAOYSA-N 254.355 1.674 0 50 CDAA COc1ccc(OC)c(C2=NO[C@H](C(=O)NC(C)C)C2)c1 5030681 BCOJIGRJCIXTHG-AWEZNQCLSA-N 292.335 1.721 0 50 CDAA Cc1cc(CN2CCC(CCC(=O)NC3CC3)CC2)[nH]n1 12306004 GNWIUNASCZAOML-UHFFFAOYSA-N 290.411 1.989 0 50 CDAA Cc1ncc2c(c1-c1noc(-c3nccn3C)n1)CCNC2 19229184 SGIRSTCFFDSAJF-UHFFFAOYSA-N 296.334 1.486 0 50 CDAA Cc1cccc(C(=O)O[C@H](C)CN2CCOCC2)c1 19897290 GTYRMGYCLXYATF-CYBMUJFWSA-N 263.337 1.873 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857711521 DXIDVQPEYFZYMW-VNHYZAJKSA-N 291.395 1.551 0 50 CDAA O=C(Nc1nccc2cccnc12)C1CCOCC1 1857721859 JDWSNWCBPZBECO-UHFFFAOYSA-N 257.293 1.995 0 50 CDAA N[C@@H]1C[C@@H](C(=O)NCCc2ccccc2Cl)CC[C@H]1O 1857736033 NABPMOHUAUZFNQ-IACUBPJLSA-N 296.798 1.487 0 50 CDAA Nc1ncnc(N2CCC[C@@H](c3ccn[nH]3)C2)c1Cl 302043574 JHNDJXRKROLCGW-MRVPVSSYSA-N 278.747 1.819 0 50 CDAA Cc1cnccc1CCNC(=O)N1CCC[C@H]2COC[C@H]21 225745641 ALIVSJGZFXZBBF-LSDHHAIUSA-N 289.379 1.753 0 50 CDAA C[C@H](NC(=O)C(=O)NC1CCCC1)c1ccccc1 2993659 AUOKASWAHOEQBW-NSHDSACASA-N 260.337 1.923 0 50 CDAA CCn1nccc1C(=O)NC[C@H]1CCO[C@@H]1C(C)C 328614409 VYPQCNNLRHOCIQ-DGCLKSJQSA-N 265.357 1.694 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H](C)COC 328629297 IDEQECBIRUYHGU-WOPDTQHZSA-N 253.346 1.358 0 50 CDAA C[C@@H](O)[C@H]1CN(Cc2cccc3c2CCOC3)CCO1 639672545 GYOVPBLCHOHLQK-MLGOLLRUSA-N 277.364 1.341 0 50 CDAA C[C@H](C(=O)N1CCCN(CC(=O)O)CC1)c1ccccc1 235436997 UGCZWUUSKSHBLB-ZDUSSCGKSA-N 290.363 1.409 0 50 CDAA CCn1ccnc1[C@@H](N[C@H]1CCOC1)C1CCOCC1 343404296 RBLRTXMSFDCKSG-KBPBESRZSA-N 279.384 1.749 0 50 CDAA C[C@@H]1CC[C@H](C(=O)NCc2cccc(C(=O)O)c2)O1 157892554 RDSNHERLOHUWGZ-BXKDBHETSA-N 263.293 1.569 0 50 CDAA CC1=C(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CCCO1 583620389 CUFUOEFWWMBWRQ-RBSFLKMASA-N 295.379 1.459 0 50 CDAA CCOC(=O)c1c[nH]c(=NCCn2ccnc2C)s1 388608856 QFEGJEUVGUGSHG-UHFFFAOYSA-N 280.353 1.359 0 50 CDAA O=C(O)c1ccc(OC[C@H](O)CN2CCC(F)CC2)cc1 903607162 IFKNFUCTNBKFKE-CYBMUJFWSA-N 297.326 1.558 0 50 CDAA Cc1ccccc1CCC(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704300693 YLAZVMQTNQUUFW-UONOGXRCSA-N 291.347 1.222 0 50 CDAA O=C(Nc1ccns1)N[C@H]1CCN(CC(F)F)C1 932020135 HDETZZOODNFXFS-ZETCQYMHSA-N 276.312 1.604 0 50 CDAA CCS(=O)(=O)N1CCN([C@H]2CCC[C@@H](C)C2)CC1 19850709 DSKJNSAMSJTGHR-OLZOCXBDSA-N 274.430 1.532 0 50 CDAA C[C@@H]1CN(C(=O)C2=NNC(=O)C2)CCc2ccc(F)cc21 846617174 JTCHQDLGOQSNKE-SECBINFHSA-N 289.310 1.190 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2ncc(C=O)o2)C1 1857786088 QWPJTCVXDLNKDT-UHFFFAOYSA-N 252.270 1.821 0 50 CDAA Cc1ccc(S(=O)(=O)/N=c2/nc(O)cc(C)[nH]2)cc1 392450 BZVFYKVEXDHJOQ-UHFFFAOYSA-N 279.321 1.022 0 50 CDAA Cc1ccccc1NC(=O)N1CCC[C@@H](C(N)=O)C1 2888564 AIEHCHWAPRSECY-LLVKDONJSA-N 261.325 1.724 0 50 CDAA Nc1nc(SCC(=O)N2CCc3ccccc32)n[nH]1 3220926 SUCGBVIAXLHPAZ-UHFFFAOYSA-N 275.337 1.068 0 50 CDAA N[C@H]1CCC[C@@H](C(=O)NCCCOC2CCCC2)C1 237905563 VHUIPJJRRPUEKS-OLZOCXBDSA-N 268.401 1.969 0 50 CDAA O=C(O)c1ccc(C(=O)N2CC[C@]3(CCOC3)C2)s1 238001876 PTSWJVTZSKZAKZ-ZDUSSCGKSA-N 281.333 1.699 0 50 CDAA O=C(O)CCC(=O)N[C@H]1COC2(CCCCC2)C1 426472597 BRPDNUJIUQNYBX-SNVBAGLBSA-N 255.314 1.459 0 50 CDAA COc1cccc(CN(C)CC[C@@H]2CCS(=O)(=O)C2)c1 670445457 LMWXSZJJKHKZJR-CYBMUJFWSA-N 297.420 1.952 0 50 CDAA Cc1nc(NC(=O)Cc2cn3ccsc3n2)ns1 2100542651 CGLXZLDUWVSGAL-UHFFFAOYSA-N 279.350 1.737 0 50 CDAA CO[C@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1cccn2nccc12 2325791207 AZPFNLZSGYILLS-MPXAEWJHSA-N 285.347 1.878 0 50 CDAA Cc1cnc(-c2ccc3c(c2)C(=O)NCCO3)cn1 2325861397 OQCQXHWIQFSMAV-UHFFFAOYSA-N 255.277 1.574 0 50 CDAA C=CC(=O)N1CCN([C@@H]2CCOC3(CCC3)C2)CC1 2325899903 CYLCMSQNBJFTLP-CYBMUJFWSA-N 264.369 1.418 0 50 CDAA C[C@H](N)C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 121580877 WQYINDSPEMMTEK-UBHSHLNASA-N 262.353 1.448 0 50 CDAA CCOC(=O)c1c(C)nn(Cc2ccccc2)c1N 63855 ZIVXPMIRBSHHAM-UHFFFAOYSA-N 259.309 1.999 0 50 CDAA [O-][n+]1c2ccc3nonc3c2nn1-c1ccccc1 194998 VMAJSOJQTZGNTQ-UHFFFAOYSA-N 253.221 1.195 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 209902 YIFDWULCKWBGTA-UHFFFAOYSA-N 271.338 1.106 0 50 CDAA COc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 418364 HSOYIEZSTQDFAB-UHFFFAOYSA-N 295.302 1.923 0 50 CDAA Cc1cc(Br)ccc1NS(=O)(=O)N(C)C 457279 JMJQBPGJAJJNOO-UHFFFAOYSA-N 293.186 1.976 0 50 CDAA CN(CCN(C)C1CC1)C(=O)[C@H]1CCc2cccnc21 343072156 CYPMGJKUEMAQRU-AWEZNQCLSA-N 273.380 1.664 0 50 CDAA NCCc1ccc(-c2ccc(-n3ccnc3)nn2)cc1 2356153257 YPZCMDGLHNEQSP-UHFFFAOYSA-N 265.320 1.831 0 50 CDAA Cc1ccccc1NC(=O)C(=O)NCCCN(C)C 2853222 PYWDLUPBRZBQOQ-UHFFFAOYSA-N 263.341 1.001 0 50 CDAA Cc1cc(C)n2nc(C(=O)Nc3cccnc3)cc2n1 2886254 WQRYWTVZGRLOKO-UHFFFAOYSA-N 267.292 1.993 0 50 CDAA CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O 4214836 UPALIKSFLSVKIS-UHFFFAOYSA-N 283.331 1.580 0 50 CDAA investigational O=C(NC[C@H]1CCCO1)C(=O)NC1CCCCCC1 4819614 PLWOYMTWFSRMCG-GFCCVEGCSA-N 268.357 1.121 0 50 CDAA CCOC(=O)CNC(=O)N[C@H](C)c1ccc(C)cc1 2495450 PBBAMAUVLAJWGC-LLVKDONJSA-N 264.325 1.918 0 50 CDAA Cc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C)CC(=O)N2 8971720 ZVBNICNMOBZLLA-NSHDSACASA-N 269.304 1.861 0 50 CDAA Cc1nc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)no1 225500725 PVZMGVLKBIPAMN-MFKMUULPSA-N 295.289 1.964 0 50 CDAA CCOc1cc(C)ccc1S(=O)(=O)N[C@@H](CC)CO 54363416 DGGTUEUWDULTMY-NSHDSACASA-N 287.381 1.443 0 50 CDAA CCC1(CC)[C@H](N[C@H]2CCN(C)C2=O)C[C@H]1OC 247972899 JUUQWCUWCHJGIM-QJPTWQEYSA-N 254.374 1.400 0 50 CDAA CCOCCN(CCOCC)c1ncnc2oc(C)nc12 55212011 MYDGFRZXXIRLQA-UHFFFAOYSA-N 294.355 1.806 0 50 CDAA Cn1cc(CC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)cn1 248607449 VOQIGSSYINBHJH-AVGNSLFASA-N 291.351 1.207 0 50 CDAA CC(C)Cc1n[nH]c(CCN2CCCCCC2=O)n1 65468117 NIBCNRIUQMGMIA-UHFFFAOYSA-N 264.373 1.948 0 50 CDAA S=c1n(Cc2ccccc2)nnn1CN1CCOCC1 20109900 HAWOHTQTXDRJIQ-UHFFFAOYSA-N 291.380 1.147 0 50 CDAA COc1ccc(OC)c(-n2cnnc2-c2cn[nH]c2)c1 67446705 YOAZMEGKLVDHNM-UHFFFAOYSA-N 271.280 1.675 0 50 CDAA CCCc1noc(-c2ccn3c(CN)nnc3c2)n1 409444235 WZPAJZNVTHGGFP-UHFFFAOYSA-N 258.285 1.191 0 50 CDAA CCc1nn(C)c(Cl)c1CN(C)[C@H](C)C(=O)N(C)C 67692088 JVWUOHRBEIGEHO-SECBINFHSA-N 286.807 1.544 0 50 CDAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cn2ccccc2n1 229385205 OQCKSJDQWJMQEZ-OCCSQVGLSA-N 284.363 1.691 0 50 CDAA Cc1nn(-c2ccccn2)cc1N1C[C@H](C(=O)O)CC1=O 20737138 RPOBNOIPPWELGA-SNVBAGLBSA-N 286.291 1.013 0 50 CDAA COC(=O)C1(NC(=O)/C=C/c2cnccn2)CCCCC1 252550776 SXMYCAYTEUQMCM-AATRIKPKSA-N 289.335 1.482 0 50 CDAA CN(CC1CC1)C[C@H]1CN(C(=O)Cc2ccoc2)CCO1 328654125 XFYMSYVKBCCWJA-HNNXBMFYSA-N 292.379 1.391 0 50 CDAA O=C1C[C@@H](NC(=O)C2CC2)c2cc3c(cc21)OCO3 1384217 GJOPJVVNEDEQON-SNVBAGLBSA-N 259.261 1.569 0 50 CDAA c1cnn(C[C@@H]2CN(Cc3cscn3)CCCO2)c1 215431732 KSUYGYLIJGIRHM-ZDUSSCGKSA-N 278.381 1.631 0 50 CDAA O=[S@@]1Cc2cc3c(cc2CO1)CO[S@](=O)C3 70632046 CLTMVLOQEWPTSD-HZPDHXFCSA-N 258.320 1.074 0 50 CDAA CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 35526419 CJDFBUZPJNPXSC-UHFFFAOYSA-N 274.773 1.276 0 50 CDAA Fc1cncc(-c2csc(N3CCNCC3)n2)c1 236206558 VKKPZMKJRMZOCB-UHFFFAOYSA-N 264.329 1.754 0 50 CDAA O=C(CO)N1CCC[C@H](CCc2ccc(F)cc2)C1 71575690 UJCLTYSIOIHHKX-CYBMUJFWSA-N 265.328 1.989 0 50 CDAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N1CN1CCO[C@@H]2CCCC[C@@H]21 257364975 BQHVNZZAYVRCGC-AYYATWNNSA-N 290.407 1.844 0 50 CDAA O=C(N[C@H]1CCc2nc[nH]c2C1)[C@H]1CCCCS1 332827847 MALGWULEZOYDLW-JOYOIKCWSA-N 265.382 1.669 0 50 CDAA CC(C)Oc1ccccc1CC(=O)N1CCC[C@H]1CN 236661639 RNBQBUXVESSKCJ-AWEZNQCLSA-N 276.380 1.966 0 50 CDAA CC(C)COc1cncc(N2C[C@H](O)C3(CC3)C2)n1 364415321 JCXXXYUONXEAEH-NSHDSACASA-N 263.341 1.473 0 50 CDAA CO[C@H]1CN(C(=O)C2(C3CC3)CCOCC2)C[C@H]1OC 365217115 WEEJVJMBVMFXRZ-BETUJISGSA-N 283.368 1.065 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(C/C=C/c2ccc(F)cc2F)C1 491084077 JHKVKNVRXRQJMJ-HAXFYCRJSA-N 296.317 1.553 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)c1cccs1 128237483 HVEZRJYSYVPOBU-QMMMGPOBSA-N 255.295 1.064 0 50 CDAA CN(Cc1cn2c(n1)CCCC2)C[C@H]1CCCNC1 261966943 PZBQJXUIEWJRLH-ZDUSSCGKSA-N 262.401 1.651 0 50 CDAA COCC[C@H](C)NC(=O)N1CC[C@H](CN(C)C)C1 129815089 VGCJGTBMYWVQOJ-NWDGAFQWSA-N 257.378 1.005 0 50 CDAA COCCC1(C(=O)Nc2cccc(-c3nnn[nH]3)c2)CC1 157301757 FSHXTOZVCCPLEM-UHFFFAOYSA-N 287.323 1.622 0 50 CDAA CN1CCN(C(=O)c2cccc(Oc3ncccn3)c2)CC1 72442391 PGZDEXQDGQWNBH-UHFFFAOYSA-N 298.346 1.657 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)co1 286327453 ODAIVRJEKZKXOR-MCIONIFRSA-N 279.336 1.590 0 50 CDAA Cc1cccc(-n2cc(C(=O)N3CCC[C@@H](N)C3)nn2)c1 158118349 ZDJRXMNSBKZKNB-GFCCVEGCSA-N 285.351 1.139 0 50 CDAA Cc1c[nH]c([C@@H](C)NC(=O)C(=O)c2cccn2C)n1 219245030 YJVGYSOPBQAYIF-SECBINFHSA-N 260.297 1.117 0 50 CDAA Cc1noc(-c2cccnc2-n2cnc(C(=O)O)c2)n1 45948492 PYXGZIQMSOOPAL-UHFFFAOYSA-N 271.236 1.324 0 50 CDAA O=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCc1ccoc1 263547577 UTCIQPKYLANWMC-DYEKYZERSA-N 277.320 1.924 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(C(C)=O)c1 222639205 DNCNMQSLWHFRRB-ZIAGYGMSSA-N 277.320 1.423 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NC1(C(N)=O)CCCCCC1 426423105 SCBGCRLYRRHCTI-LLVKDONJSA-N 292.383 1.447 0 50 CDAA CSc1ccc(CN2CCN(C)[C@H](CO)C2)cc1 225324423 ABZWPQAVQDFWJC-ZDUSSCGKSA-N 266.410 1.517 0 50 CDAA Oc1ccc(CN=c2cc([C@H]3CCOC3)nc[nH]2)cc1 426443189 IGIOLRRZCNBWSB-LBPRGKRZSA-N 271.320 1.720 0 50 CDAA O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCOC1 49340953 ZPUYKXRFZFDWSK-NSHDSACASA-N 263.293 1.111 0 50 CDAA CSCC[C@H](O)C(=O)N1CCc2[nH]nc(C3CC3)c2C1 222635154 VHXOVQHZEDCTNO-LBPRGKRZSA-N 295.408 1.286 0 50 CDAA COc1cc(CCC(C)=O)ccc1ON1CCCNCC1 426444553 KXEUEKSVNFAIQJ-UHFFFAOYSA-N 292.379 1.806 0 50 CDAA C[C@@]12CCN(c3cn[nH]c(=O)c3Cl)C[C@H]1C2(F)F 291847997 HEFNJHRVWYNZLI-GMSGAONNSA-N 275.686 1.905 0 50 CDAA COCC1(CNS(=O)(=O)N2CCC(C)CC2)CCC1 332447399 FDOOJVMVWCZEDS-UHFFFAOYSA-N 290.429 1.369 0 50 CDAA C[C@@H](Cc1cccs1)NC(=O)NC1(C(N)=O)CCCC1 426445714 YMXFVIDPQIWKFC-JTQLQIEISA-N 295.408 1.776 0 50 CDAA CN(C(=O)c1ccn(-c2ccccc2F)n1)[C@H]1CCNC1 179049846 YIBQWDIVVDUTCX-NSHDSACASA-N 288.326 1.445 0 50 CDAA O=C(O)c1[nH]ncc1CN1CCO[C@@H](c2cccnc2)C1 97618997 DPBACQTXRASELW-GFCCVEGCSA-N 288.307 1.076 0 50 CDAA CCn1cnnc1CCNC(=O)Nc1ccc(F)nc1 96139171 ZHSQYZFIVNHJBN-UHFFFAOYSA-N 278.291 1.196 0 50 CDAA Cc1nn[nH]c1C(=O)N[C@H]1COC2(CCCCC2)C1 426435442 RXGPLYFDRDZIJJ-SNVBAGLBSA-N 264.329 1.335 0 50 CDAA COCc1ccc(CN(CC(N)=O)C(C)C)cc1 179657926 VZLJYMUSVFFZGR-UHFFFAOYSA-N 250.342 1.529 0 50 CDAA COCC[C@]1(CO)CCCN(C(=O)c2ccsc2)C1 91595551 YXRCHTCCAHWZKK-CQSZACIVSA-N 283.393 1.999 0 50 CDAA C[C@@H]1CN(C(=O)CCN2CCCCCC2=O)CC[C@]1(C)O 91746733 CYYSIRNKHDFRIM-CJNGLKHVSA-N 296.411 1.399 0 50 CDAA OCCn1ncnc1[C@@H]1CCCN1Cc1ccccc1 91519142 FUYLIFZMMJIJRL-AWEZNQCLSA-N 272.352 1.608 0 50 CDAA N[C@@H]1CCN(C(=O)CCc2cc(F)ccc2F)C1 237980714 RUQCZELYGRXEDC-LLVKDONJSA-N 254.280 1.457 0 50 CDAA Cc1[nH]nc(CCC(=O)NC[C@@H]2CCCO2)c1C 97601052 KIOSGDGROHUATP-NSHDSACASA-N 251.330 1.254 0 50 CDAA CC(C)c1ccc(C(=O)NCCc2c[nH]cn2)c(=O)[nH]1 97514254 ZKWKUTFJHKOHNH-UHFFFAOYSA-N 274.324 1.194 0 50 CDAA CN(Cc1cc[nH]n1)[C@@H](C(=O)O)c1ccc(CO)cc1 95352201 FTYIOJOBONJTJY-CYBMUJFWSA-N 275.308 1.160 0 50 CDAA CN1CCc2ncnc(N3CCCN4CCC[C@H]4C3)c2C1 241144879 JTWBHWTXNXWCQU-ZDUSSCGKSA-N 287.411 1.139 0 50 CDAA Cc1noc(CS(=O)(=O)CCCc2ccccc2)n1 298498177 PGIXMKVCGGGSHU-UHFFFAOYSA-N 280.349 1.926 0 50 CDAA Cc1nc(C2CCN(c3ncnc4[nH]ccc34)CC2)n[nH]1 363189321 AVZCZAAYFAUPNV-UHFFFAOYSA-N 283.339 1.768 0 50 CDAA O=C(N[C@@H]1CCc2c[nH]nc2C1)c1ccc2c(c1)OCCO2 378114724 SBQLPESFPYXEOQ-GFCCVEGCSA-N 299.330 1.468 0 50 CDAA c1cc(OC[C@@H]2CCCNC2)ccc1CN1CCOCC1 299777233 BKSSCABHNAATLV-MRXNPFEDSA-N 290.407 1.897 0 50 CDAA Cc1cc(C(=O)N[C@@H](c2ncnn2C)C(C)C)c(C)n1C 299775781 KJZIQRUHDZQTQD-CYBMUJFWSA-N 289.383 1.898 0 50 CDAA CCc1cc(CN(C)Cc2nccn2CCOC)on1 824466008 AWOWFVONUUGRBT-UHFFFAOYSA-N 278.356 1.712 0 50 CDAA O=C(NCCN1CCCC[C@H]1CO)NCC1CCCCC1 828710749 ACNCTIGBPKGVTO-HNNXBMFYSA-N 297.443 1.713 0 50 CDAA CCC1=NO[C@@H](Cn2cnc3cccc(OC)c3c2=O)C1 584896068 XRZCTSSYXJWMDZ-LLVKDONJSA-N 287.319 1.960 0 50 CDAA O=C1NCCC[C@H]1NC1CCN(c2ccccc2F)CC1 584887252 FFRISZXHZBWZHE-CQSZACIVSA-N 291.370 1.663 0 50 CDAA O=C(CCc1ccncn1)N1C[C@@H]2CCC[C@]2(C(=O)O)C1 910422792 UPYUBVRWMGEXAV-NHYWBVRUSA-N 289.335 1.123 0 50 CDAA CCNc1nc(C)c(C(=O)NCCc2ncc[nH]2)s1 759247660 GXXKQBIMPYODAU-UHFFFAOYSA-N 279.369 1.579 0 50 CDAA O=C(Cc1cccc(F)c1)Nc1c[nH]nc1[C@H]1CCNC1 1549747956 UYTCOBCCWAUWBA-NSHDSACASA-N 288.326 1.807 0 50 CDAA C[C@H](NC(=O)c1coc(C2CCC2)n1)c1nn(C)cc1O 1456785498 KYFUOQULCBLFJF-QMMMGPOBSA-N 290.323 1.872 0 50 CDAA Cc1nonc1CNC(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C 876438301 YBGREDGIDSFNDI-WCQYABFASA-N 293.371 1.146 0 50 CDAA FC(F)n1cccc1CN1CCO[C@]2(CCOC2)C1 952876784 FJHFDHLGBOARHU-CYBMUJFWSA-N 272.295 1.875 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc2c(c1)C[C@H](C)O2 1875273035 YKNQAESNTIMPIK-FSIBCCDJSA-N 275.304 1.469 0 50 CDAA Cc1nc(C2CN(c3nc(C(F)(F)F)ns3)C2)n[nH]1 1774697817 MMTSQKGHRWEAFH-UHFFFAOYSA-N 290.274 1.587 0 50 CDAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)c1ccc[nH]1 1775960863 KCZXNANBWFUSJM-QWRGUYRKSA-N 273.258 1.287 0 50 CDAA Cc1ccc(NC(=O)N2C[C@H](N)C3(CCC3)C2)c(=O)n1C 1775962604 VFLMHAWQRURVLS-LBPRGKRZSA-N 290.367 1.039 0 50 CDAA CN(C)C[C@H]1CCN(CC2=CCCCC2)C[C@@H]1O 1565526628 FBSVUFZETMKRAB-CABCVRRESA-N 252.402 1.731 0 50 CDAA CC(C)O[C@H]1C[C@@H](NC(=O)Cn2nccc2N)C1(C)C 1362620016 XVUNADZPRKVNFI-MNOVXSKESA-N 280.372 1.174 0 50 CDAA Cn1ncc2c1CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O 1535326118 QUZDRKATMFSEPM-SNVBAGLBSA-N 281.312 1.339 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cc[nH]n2)n1 671490539 IMYXSKHULNUFLJ-KCJUWKMLSA-N 263.301 1.063 0 50 CDAA O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CC[C@@H](CCCO)C1 580763136 SDRNFSZAJMPNPY-MQYQWHSLSA-N 287.425 1.599 0 50 CDAA CC(C)Cc1n[nH]c(=NC(=O)N2C[C@H](O)C[C@H]2C)s1 408287333 QMOUDRIALFGNNK-RKDXNWHRSA-N 284.385 1.146 0 50 CDAA CC[C@H](C(=O)N[C@H]1CCO[C@@H](C)C1)N1CCCC1=O 221703699 JWYBPLMXSHZIFD-SDDRHHMPSA-N 268.357 1.071 0 50 CDAA COCC(C)(C)CC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 412154781 NVPVGXZHSWMTNN-OAHLLOKOSA-N 282.384 1.178 0 50 CDAA Cc1nc(CNC(=O)c2ccc3nc(S)oc3c2)no1 170647663 QGFSOOAZRPSBOS-UHFFFAOYSA-N 290.304 1.738 0 50 CDAA COCc1nc(C)cc(NCC[C@@H]2CCOC2)n1 680072668 QFTUQZJKPUVWMG-LLVKDONJSA-N 251.330 1.770 0 50 CDAA C[C@]1(C(=O)O)CCC[C@@H]1NS(=O)(=O)c1ccoc1 556776776 WUQNIZGHJAHNLX-ONGXEEELSA-N 273.310 1.201 0 50 CDAA COC(=O)c1nccc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1 591593302 DRPKEXPZZOJJIR-GXSJLCMTSA-N 277.324 1.267 0 50 CDAA CCOc1cc(C(=O)N2CCCc3n[nH]cc32)on1 644881547 XNIOPGPVABRSED-UHFFFAOYSA-N 262.269 1.389 0 50 CDAA CN1C[C@H]2CN(C(=O)c3ccc4c(c3)CCC(=O)N4)C[C@H]2C1 192476771 FNJNMQTYOVGRBU-OKILXGFUSA-N 299.374 1.205 0 50 CDAA CCC[C@]1(COC)CCCN1C(=O)c1ccc(=O)n(C)c1 192737916 MWITVFGNGQOPQY-MRXNPFEDSA-N 292.379 1.807 0 50 CDAA CO[C@H](C(=O)N1CCCC[C@@H]1C(=O)O)C1CCC1 659767559 VUQCASZUELOCPY-MNOVXSKESA-N 255.314 1.267 0 50 CDAA CC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCCC(=O)N1 572112235 XFQNCNJXIKNSDD-VXGBXAGGSA-N 266.341 1.015 0 50 CDAA CCn1cc(CC(=O)N2CCOC[C@@H]2C2CCC2)cn1 572645543 BFZASZKNSBOBDY-CQSZACIVSA-N 277.368 1.473 0 50 CDAA CCOC(=O)c1c[nH]c(=N[C@@H](C)c2nccc(C)n2)cn1 598638242 CUBZSNXBJYNOSH-JTQLQIEISA-N 287.323 1.347 0 50 CDAA CCc1nn(C)c(NC(=O)c2cnc(C)cn2)c1C 1529167602 OOTPWZXNAZDOTM-UHFFFAOYSA-N 259.313 1.642 0 50 CDAA O=C(c1cncc(NCCc2ccco2)n1)N1CCCC1 1529098385 CVKABDKFDOSETB-UHFFFAOYSA-N 286.335 1.960 0 50 CDAA Cc1cc(C(N)=O)c(N2[C@H]3CC[C@@H]2CCN(C)C3)nc1C 1704308359 OMIWQRQHYDVQGK-OLZOCXBDSA-N 288.395 1.470 0 50 CDAA CCNc1ccnc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 1704297460 SRIYCQPWWNJKDQ-ZIAGYGMSSA-N 299.378 1.973 0 50 CDAA COc1ccc(C)nc1N1CCC(N2CCOCC2)CC1 1857672105 JOHMSYSCFQVFTQ-UHFFFAOYSA-N 291.395 1.700 0 50 CDAA O=c1c2[nH]ccc2ncn1CCOCc1ccccc1 1857709421 WRESPVUAFZFBEI-UHFFFAOYSA-N 269.304 1.941 0 50 CDAA Cn1cncc1CN(CCO)Cc1ccccc1F 1704311389 HMRGJSLAYHIPCV-UHFFFAOYSA-N 263.316 1.554 0 50 CDAA CN1CC[C@@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@@H]21 213167924 FDDOLQGOISSOIX-YPMHNXCESA-N 294.782 1.751 0 50 CDAA COC(=O)c1ccc(O)c(NC(=O)c2cccnc2)c1 436501119 BEQKQEZNJSSHEZ-UHFFFAOYSA-N 272.260 1.826 0 50 CDAA Cc1nn(CC(=O)N2CC[C@@H](C(=O)O)C2)c(C)c1Cl 237864341 BBMLBROYLKRJFV-SECBINFHSA-N 285.731 1.086 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CCCC2CCCC2)CCO1 237965159 SRYJZHAEZJYRIE-GFCCVEGCSA-N 269.341 1.659 0 50 CDAA C[C@H](NC(=O)c1ccc(Cl)cn1)[C@H](C)C(=O)O 133025404 JAJQNJDWCHBBOO-BQBZGAKWSA-N 256.689 1.574 0 50 CDAA Cn1ccc2c(NC(=O)NC3CS(=O)(=O)C3)cccc21 1616034777 NEXIYSUOGBKBFV-UHFFFAOYSA-N 293.348 1.097 0 50 CDAA O=C(O)CN1CCC2(CC1)OCCc1ccsc12 1595087019 PZZXYECSFUAPQD-UHFFFAOYSA-N 267.350 1.697 0 50 CDAA CCCC1(CO)CCN(C[C@@H]2CCC(=O)N(C)C2)CC1 1775984323 OHMFNQPQOKLXDY-CQSZACIVSA-N 282.428 1.729 0 50 CDAA CNCc1nnc(NCCCN(C)C2CCCC2)o1 1772702817 DZBVKKYERDZPDQ-UHFFFAOYSA-N 267.377 1.465 0 50 CDAA CC(C)(C)CN1C[C@H](NC(=O)NCc2ccco2)CC1=O 12713496 SNRPCYJAOVEYBG-LLVKDONJSA-N 293.367 1.726 0 50 CDAA COc1cccc(-c2cnnc(NCCNC(C)=O)n2)c1 14975587 WFWBRNQHENINMZ-UHFFFAOYSA-N 287.323 1.095 0 50 CDAA Cc1ccccc1O[C@H](C)C(=O)N1CCN(C)CC1 16602782 HPSVZCQGRMSSTK-CYBMUJFWSA-N 262.353 1.536 0 50 CDAA CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1 16622893 PWNSUWUJIKXMPH-MRVPVSSYSA-N 287.337 1.470 0 50 CDAA CCOC(=O)c1cnc(NCC(C)(C)C)[nH]c1=O 18168045 XYDFRBRJROYSKB-UHFFFAOYSA-N 253.302 1.405 0 50 CDAA Cc1nccn1[C@@H](C)CN1CCN(c2ncccn2)CC1 19300821 MGFPDTDMOQJPHB-ZDUSSCGKSA-N 286.383 1.365 0 50 CDAA Fc1ccc(CNCCN2CCOCC2)cc1F 19953909 XZWPEAGAGFVODQ-UHFFFAOYSA-N 256.296 1.387 0 50 CDAA Cc1cc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cnc1C 1857685049 AZGNSFVAPXTZJF-HNNXBMFYSA-N 289.335 1.365 0 50 CDAA Cc1nccc(-c2nccn2C[C@@H]2CC(=O)N(C3CC3)C2)n1 1857709525 CPZWSOAFTJKULH-LBPRGKRZSA-N 297.362 1.659 0 50 CDAA CCc1cc(N2CCC[C@@]3(CNC(=O)C3)C2)ccn1 336194351 KUWPELBKDRSONQ-OAHLLOKOSA-N 259.353 1.751 0 50 CDAA O=C(NCCO)NCC12CC3CC(CC(C3)C1)C2 3895094 WGGMRPMTRWQFCX-UHFFFAOYSA-N 252.358 1.494 0 50 CDAA Cn1nccc1CCC(=O)N[C@H]1COc2ccccc21 121675883 KGLKOEYGPSDOLM-ZDUSSCGKSA-N 271.320 1.603 0 50 CDAA Cn1nccc1C1CCN(C(=O)[C@H]2CCC[C@H]2N)CC1 237678138 UPBPHRZOBZJVBU-QWHCGFSZSA-N 276.384 1.254 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)c1cccc2[nH]ccc12 129394336 AKZWOGWXJYBORE-SNVBAGLBSA-N 288.303 1.484 0 50 CDAA CCN1CCC[C@@H]1CN(C)C(=O)C1(C(=O)O)CC=CC1 663098995 CMPMLURDBWVILG-GFCCVEGCSA-N 280.368 1.350 0 50 CDAA CCCCO[C@@H](C)C(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 253404697 PLDKKOLCZTXTGY-WDEREUQCSA-N 296.371 1.009 0 50 CDAA Cn1ccc(CN2CCC[C@]2(CO)Cc2ccccc2)n1 375466862 GRJTUMPXVBHYBI-QGZVFWFLSA-N 285.391 1.990 0 50 CDAA CCCN(C(=O)c1ccn(C)n1)[C@@H](C)C(=O)OCC 585140038 YSFJFOLMUWBXMI-JTQLQIEISA-N 267.329 1.224 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)CCc1ccc(O)cc1 1565511410 FVSQNNKYLSBXIH-KBPBESRZSA-N 279.336 1.245 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)[C@H](O)C2)ccc1Cl 1704300938 ZYYWMXDIGAXAKL-CMPLNLGQSA-N 297.738 1.556 0 50 CDAA O=C(N[C@@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccc[nH]1 910616534 FSIDIAYGDKGAQA-OPASDULOSA-N 278.308 1.157 0 50 CDAA Cc1cc(CCC(=O)N[C@]23CCC[C@H]2CNC3)no1 1263267202 QYMXFMKYQYIHOK-FZMZJTMJSA-N 263.341 1.174 0 50 CDAA CN(Cc1csc(C(C)(C)O)n1)c1nc(C(=O)O)co1 844213021 FJWVYKSAJPIWFF-UHFFFAOYSA-N 297.336 1.693 0 50 CDAA O=C(Cc1ccccn1)N[C@@H]1COc2ccccc21 1851230224 HRICWBHYUYYOAL-CYBMUJFWSA-N 254.289 1.874 0 50 CDAA C[C@H]1CC(=O)Nc2cc(S(N)(=O)=O)ccc2S1 1857780420 FMPJDPPEYOVAKO-LURJTMIESA-N 272.351 1.157 0 50 CDAA CC1(C)[C@]2(C(=O)NO[C@H]3CCCCO3)CC[C@@]1(C)C(=O)O2 858987023 MXTACUAVUGUQOZ-NZVBXONLSA-N 297.351 1.683 0 50 CDAA Cc1cc(OCC(=O)NC2(C(=O)O)CC2)ccc1Cl 203648958 AUVJIOFYTCZIFN-UHFFFAOYSA-N 283.711 1.761 0 50 CDAA CC(C)(C)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 11614016 FGQIJZNQIUTCHV-UHFFFAOYSA-N 281.333 1.870 0 50 CDAA C[C@H]1CCCC[C@@H]1C(=O)NC1(CC(=O)O)CCOCC1 263047215 JYCZKPBMAAQPQY-RYUDHWBXSA-N 283.368 1.953 0 50 CDAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1ccsc1 263468419 GXVXKHMAHCVFLN-FKTZTGRPSA-N 287.362 1.374 0 50 CDAA COCCOCCN1CCC(c2ccncc2)CC1 277043796 BYEWWCFQTORZKW-UHFFFAOYSA-N 264.369 1.924 0 50 CDAA CC(C)N1CCC(NC(=O)c2ccc(F)cn2)CC1 181808352 FAOFRJCUWKHWFQ-UHFFFAOYSA-N 265.332 1.823 0 50 CDAA CC(C)(O)[C@H]1CCCN1c1ncnc(N)c1Cl 302831228 LBQAFYJOQZVBED-SSDOTTSWSA-N 256.737 1.452 0 50 CDAA COc1ccc(CN2CCC(O)(C(=O)O)CC2)c(F)c1 72159071 WMJPQNGOFINIHI-UHFFFAOYSA-N 283.299 1.246 0 50 CDAA O=C(CN1CCCC1)N1CCC2(CCNCC2)CC1 72154769 AURUSEITSJKUTG-UHFFFAOYSA-N 265.401 1.074 0 50 CDAA Cc1cc(CN2CCC[C@@H](c3ccnn3C)C2)ncn1 428451887 GYMAZKKMOKVMJR-CYBMUJFWSA-N 271.368 1.898 0 50 CDAA O=C(NCc1ccccc1)[C@H]1CCc2nncn2C1 335847310 BTPWXHFQSUSBMI-LBPRGKRZSA-N 256.309 1.157 0 50 CDAA Cn1cc(NC(=O)OC2CCCC2)c(C(=O)O)n1 725210674 ZCFFOCWVOHWZOU-UHFFFAOYSA-N 253.258 1.609 0 50 CDAA Cc1n[nH]cc1CN(C)S(=O)(=O)N1CCC(C)CC1 918674039 MMYMXPKDQCSATA-UHFFFAOYSA-N 286.401 1.127 0 50 CDAA C[C@H](NC(=O)[C@H](C)NC(=O)C[C@@H]1CCC12CCC2)C(=O)O 2325788490 JNUYZFFVJPYJOV-DCAQKATOSA-N 296.367 1.051 0 50 CDAA Cc1ccc(CN2C[C@H](O)[C@H](O)C2)c2ncccc12 2325788558 OMJKDSPOSMMNNO-OKILXGFUSA-N 258.321 1.081 0 50 CDAA Cc1nc(C(=O)N[C@@H](c2ccncc2)C2CC2)c(=O)[nH]c1C 890914199 UHZGSSUCYGBOEI-CYBMUJFWSA-N 298.346 1.663 0 50 CDAA CCOC(=O)c1cc2ccc(OC(C)=O)cc2oc1=O 57541 SKVJGNVETVRDTL-UHFFFAOYSA-N 276.244 1.895 0 50 CDAA biogenic COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)cc1 78626 DKVKSVGPBRENPW-LBPRGKRZSA-N 260.293 1.796 0 50 CDAA CCOC(=O)c1c[nH]c2ccc(C(C)=O)cc2c1=O 151620 GMLXNCOTYSICIS-UHFFFAOYSA-N 259.261 1.907 0 50 CDAA O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccccc1 167945 WGXSKCHHCQOWDH-UHFFFAOYSA-N 287.296 1.672 0 50 CDAA COc1ccc(CN(C)C)c(OC(=O)N(C)C)c1 316564 ZORLMZCXPLXRQG-UHFFFAOYSA-N 252.314 1.817 0 50 CDAA NC(=O)C1CCN(C(=O)CCC2CCCC2)CC1 618385 UJBOKLVYJFFCNK-UHFFFAOYSA-N 252.358 1.681 0 50 CDAA CCN1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O 618845 UBBPMCNHEILALE-UHFFFAOYSA-N 295.298 1.950 0 50 CDAA O=C(O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1 2584195 BJGNCJDXODQBOB-SSDOTTSWSA-N 280.330 1.949 0 50 CDAA biogenic,in-vitro Cc1c(-c2nnc3n2[C@H](C)C(=O)N(C2CC2)C3)cnn1C 2356143088 UVRVGNIZLHTROQ-SECBINFHSA-N 286.339 1.053 0 50 CDAA COc1cc(C)c(-c2nc(N3CCOCC3)n[nH]2)cn1 2356165529 CRYBTBGQMXUQRA-UHFFFAOYSA-N 275.312 1.020 0 50 CDAA CCOC(=O)c1nc2ncccn2c1Br 4003129 HZSZIPSMUWWCFZ-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA CSCC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)O 4089534 OVFIUQGJCHMKMT-DCAQKATOSA-N 288.413 1.880 0 50 CDAA biogenic OCCn1nnnc1NCc1ccc(Br)cc1 4727460 RRBUBFBKBBHCBB-UHFFFAOYSA-N 298.144 1.040 0 50 CDAA CCc1nc(N2CC[C@@H](O)[C@H](CO)C2)c2ccsc2n1 413587700 HNZFCSMHSJLHIC-GXSJLCMTSA-N 293.392 1.433 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccnc3cc(F)ccc23)C1 343681347 GMRFRESADODLII-HZMBPMFUSA-N 289.310 1.453 0 50 CDAA NC(=O)[C@@]1(O)CCCN(Cc2cccc(Cl)c2)C1 225476765 KKPZNSXZPGZYLO-CYBMUJFWSA-N 268.744 1.152 0 50 CDAA O=C(c1ccc(=O)n(-c2ccccc2F)n1)N1CCC1 225528977 IZOVRBGGKAMZQE-UHFFFAOYSA-N 273.267 1.218 0 50 CDAA OC[C@H]1C[C@H](F)CN1c1ccc(C(F)(F)F)nn1 344147142 URRJHXDJBOPUAA-NKWVEPMBSA-N 265.210 1.405 0 50 CDAA Cn1ncc2c(Nc3cccc(C(=O)O)c3)ncnc21 9186682 OCHDRKQTIRJRGE-UHFFFAOYSA-N 269.264 1.805 0 50 CDAA biogenic CCCn1cnc(NC(=O)NCc2cc(CC)no2)n1 20608348 LDDXMBMKYPPJLI-UHFFFAOYSA-N 278.316 1.560 0 50 CDAA CN(C)CCNC(=O)c1ccc(CN2CCCC2=O)cc1 20491331 CDTFDBWSSUJAMF-UHFFFAOYSA-N 289.379 1.100 0 50 CDAA Cc1nc(CC(=O)NCCc2cnccn2)c(C)s1 20167676 UBHHWKLOJIYCSG-UHFFFAOYSA-N 276.365 1.451 0 50 CDAA N=C1NC(=O)/C(=C/c2cc3c(c([N+](=O)[O-])c2)OCO3)S1 23128318 JUXZIBVSXMCMHC-BAQGIRSFSA-N 293.260 1.462 0 50 CDAA CN1CCN(C)[C@@H](Cc2nc(-c3ccccc3)no2)C1 20455002 AEVNSFRXEFATKO-ZDUSSCGKSA-N 272.352 1.525 0 50 CDAA C[C@@H]1CCC[C@H]1NC(=O)NC[C@H](c1cnn(C)c1)N(C)C 230129767 BZEFKLGASUUINS-MRVWCRGKSA-N 293.415 1.511 0 50 CDAA Cn1nccc1CNC(=O)c1cn(C)c(=O)c2ccccc12 429706711 HBVSPXHAMNYAOF-UHFFFAOYSA-N 296.330 1.202 0 50 CDAA Cc1ccc(C(=O)NC[C@@H]2CCN(Cc3c[nH]cn3)C2)cn1 67934976 ITHSZWQTEZETJW-ZDUSSCGKSA-N 299.378 1.365 0 50 CDAA Cc1cnc(COCC(=O)N2CCOCC3(CC3)C2)o1 329106438 OTPXWHNGYZFFSY-UHFFFAOYSA-N 280.324 1.139 0 50 CDAA Clc1cnc(N2CCC(Oc3cnccn3)CC2)nc1 330129588 KAQPTPPLGJOGNS-UHFFFAOYSA-N 291.742 1.968 0 50 CDAA O=C(c1ncn[nH]1)N1CCC[C@H]1c1ccc(F)cc1 215752840 XZVABYFAJVVXOU-NSHDSACASA-N 260.272 1.921 0 50 CDAA O=C(NCc1ccccn1)c1cn2ccsc2n1 72145572 FARYOVUNROBSDH-UHFFFAOYSA-N 258.306 1.721 0 50 CDAA CCn1c(N)nc2cc(C(=O)NCCCSC)cnc21 77287504 RTANSXLADDMJKX-UHFFFAOYSA-N 293.396 1.516 0 50 CDAA CS(=O)(=O)N(Cc1ccccn1)C[C@H]1CCCO1 330580081 QYYIFZOIDIFSFH-GFCCVEGCSA-N 270.354 1.022 0 50 CDAA CCN1CC[C@H](N(C)C(=O)[C@@H](C)CNC)[C@@H](C)C1 236848185 FSKGAAAPBIAASQ-AVGNSLFASA-N 255.406 1.031 0 50 CDAA CC(C)(C)n1ncn(Cc2nccn2C(F)F)c1=O 155734576 JPCMHQBOUXYUJL-UHFFFAOYSA-N 271.271 1.440 0 50 CDAA CN1C(=O)[C@@]2(CCCN(CC(=O)O)C2)c2ccccc21 72158653 FWRYUFMLDSJBOZ-OAHLLOKOSA-N 274.320 1.081 0 50 CDAA C[C@@H]1CN(C(=O)CCCN)C[C@@H](c2ccsc2)O1 237405210 FIOWGVGCOQSYEJ-PWSUYJOCSA-N 268.382 1.775 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CCCN([C@@H](C)C(=O)O)C2)nc1 237485371 IATVCTQYSNDDBT-RYUDHWBXSA-N 291.351 1.514 0 50 CDAA CN(C)c1noc(CN[C@]2(CO)CCc3ccccc32)n1 369046946 IBVPWEVKESKTSY-HNNXBMFYSA-N 288.351 1.059 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2c[nH]c3ncccc23)C1 261893721 UGHOMSQLEGDMPY-MRVPVSSYSA-N 259.265 1.110 0 50 CDAA CC(C)OC[C@@H]1CN(C(=O)c2ncccc2O)CCO1 370444860 OYDPSRKXDJTFMB-NSHDSACASA-N 280.324 1.053 0 50 CDAA N[C@@H](C(=O)N1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 237805790 NSFLNLXBHCDOCR-HZPDHXFCSA-N 297.358 1.761 0 50 CDAA COc1c(C)cc(C(=O)N2CC[C@@H](N)[C@@H](OC)C2)cc1C 71764006 JYFUDNBJDMEFQE-KGLIPLIRSA-N 292.379 1.500 0 50 CDAA CC1(C)C[C@]1(C(=O)N1CC(O)C1)c1ccccc1F 216010806 IUYSVAHPSCZNTL-OAHLLOKOSA-N 263.312 1.697 0 50 CDAA COc1ccc(-c2ncc(CN3CCOCC3)cn2)cc1 216441897 OIHUWXWEPWRBRD-UHFFFAOYSA-N 285.347 1.984 0 50 CDAA CCc1ncc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)s1 262397362 JMEGPQICOBHBHP-VIFPVBQESA-N 292.382 1.093 0 50 CDAA CCCN1C[C@@H](NC(=O)c2ccnc(C(C)C)n2)CC1=O 71762125 VWTHJYZGXVJWEH-NSHDSACASA-N 290.367 1.341 0 50 CDAA C[C@H](O)c1cn(C2CN(Cc3cccc4[nH]ccc34)C2)nn1 374818376 KOCMBLBDCADFOW-NSHDSACASA-N 297.362 1.870 0 50 CDAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2ccncn2)C1 215117761 NHLACMRDIXHANF-LLVKDONJSA-N 297.362 1.708 0 50 CDAA COC(=O)c1cnn(C)c1Nc1cc(OC)cc(OC)c1 1175106926 ZMMZPNQGZLFMFT-UHFFFAOYSA-N 291.307 1.968 0 50 CDAA CNC(=O)C[C@H](C)NC(=O)c1sc(CC2CC2)nc1C 456522648 WNMPRWDMOVTEHD-QMMMGPOBSA-N 295.408 1.658 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(F)F)cc1 263560233 BIWINHXAHUMNFC-NXEZZACHSA-N 285.246 1.990 0 50 CDAA Cc1cnn(CCCNC(=O)[C@H](C)n2ccnc2C)c1 426555386 DVKSDNKSZIMCAK-LBPRGKRZSA-N 275.356 1.464 0 50 CDAA CC[C@@H](NC(=O)c1ccc(O)c(F)c1)C1CC(O)C1 220437861 OZISKSDDBODWFQ-RTYFJBAXSA-N 267.300 1.811 0 50 CDAA C[C@@H](C(=O)NCCc1cccc(O)n1)N1CCCCC1 426734545 SUCBCALXZLZFOA-LBPRGKRZSA-N 277.368 1.320 0 50 CDAA CCCN(CCC)C(=O)c1cn(C)c(C)cc1=O 426503890 BAXUBHMLLUPSNK-UHFFFAOYSA-N 250.342 1.956 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@@H]2COC3(CCCCC3)C2)[nH]1 426485985 DHGZUBDGUAHRKL-LBPRGKRZSA-N 290.363 1.905 0 50 CDAA C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)C1CCCCCC1 426517946 OGZWGVNVPNECCH-NSHDSACASA-N 296.367 1.101 0 50 CDAA CCc1nc(Nc2nc3c(s2)c(C)nn3C)nn1C 95497809 BKSCUZWOTXCKSK-UHFFFAOYSA-N 277.357 1.773 0 50 CDAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cn(C)nc2C)C1 91691694 PHEZBGQWHZEAQF-OAHLLOKOSA-N 293.367 1.836 0 50 CDAA Cc1c[nH]ccc1=NCCN=c1cc([C@H]2CCOC2)nc[nH]1 426712558 BVCAFQWVNMYQLF-ZDUSSCGKSA-N 299.378 1.052 0 50 CDAA C[C@H]1COC2(CCC2)CN1C(=O)c1nc[nH]c2nccc1-2 617953477 POVJKAXOAFCNSQ-JTQLQIEISA-N 286.335 1.693 0 50 CDAA O=C([C@H](c1cccnc1)N1CCOCC1)N1CCCC1 91288698 RTJKTTXWZSOTDT-AWEZNQCLSA-N 275.352 1.077 0 50 CDAA N[C@@H]1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)C1 237929822 SKIDIMKBWIVTTP-SECBINFHSA-N 292.289 1.324 0 50 CDAA CCC[C@@]1(CO)CCCN(C(=O)c2cc[nH]n2)C1 92036873 SCXLCWNERACNAO-CYBMUJFWSA-N 251.330 1.425 0 50 CDAA Cc1ccc(N2CCC([C@@H](C)N3CCOCC3)CC2)nn1 95354329 BBELKPBFZQCZPC-CQSZACIVSA-N 290.411 1.722 0 50 CDAA CC(=O)c1cc(C)c2c(c1O)C[C@H](C)[C@@](O)(C[C@H](C)O)O2 238783455 XNTLHERMDDIUAI-XQJJYNOISA-N 294.347 1.934 0 50 CDAA Cc1ccc2[nH]c(=NC3CCCCC3)[nH][n+](=O)c2c1 526054725 QNIFDJXCWXQBDR-UHFFFAOYSA-N 259.333 1.952 0 50 CDAA CCN1C[C@H](NC(=O)c2snnc2C(C)C)[C@@H](OC)C1 243957095 CFOVOBFLABGBQG-UWVGGRQHSA-N 298.412 1.110 0 50 CDAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 242614954 PMVSUYJXXTXMHW-LTXOWMNZSA-N 275.348 1.814 0 50 CDAA Cc1cc(-c2ccccc2)nc(CN2CC[C@@H](N)C2)n1 244718799 LQZFMJVTFURXJM-CQSZACIVSA-N 268.364 1.985 0 50 CDAA Cn1ccnc1[C@@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 543750453 DKAYVHOHGPEIFN-CVEARBPZSA-N 285.391 1.813 0 50 CDAA CCCn1ccnc1CNC(=O)c1ccnn1CCC 534633492 KEOMOZZRJJRTEO-UHFFFAOYSA-N 275.356 1.830 0 50 CDAA CC[C@@H](C(=O)O)N(C)C(=O)c1ccccc1-n1cnnc1 534675420 CXLDYOWVWNFLIG-NSHDSACASA-N 288.307 1.203 0 50 CDAA Cc1cc(C(=O)N[C@H](c2nccn2C)C2CC2)cc(O)n1 534585013 ROEWVMSDMGELEM-ZDUSSCGKSA-N 286.335 1.710 0 50 CDAA O=C(NC1CCN(C2CCCC2)CC1)c1cnc[nH]1 299760620 VSZYCFUYEAXZDX-UHFFFAOYSA-N 262.357 1.547 0 50 CDAA CNC(=O)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C1 299786094 RAOCNYWFJRAACT-VIFPVBQESA-N 281.743 1.940 0 50 CDAA COC[C@@H](C)C1CCN(C(=O)c2c(C)ncn2C)CC1 299797239 PXTQJFSDAMGWGS-LLVKDONJSA-N 279.384 1.863 0 50 CDAA CC(C)c1nc(C2(NC(=O)[C@H](C)CN)CCCC2)no1 585136423 FMQPPIUQJDHEDA-SNVBAGLBSA-N 280.372 1.673 0 50 CDAA O=C(CCN1CC[C@H](O)[C@@H](O)C1)NC1CCCCCCC1 670437945 RTWRAVGUQFUDEY-GJZGRUSLSA-N 298.427 1.033 0 50 CDAA NC(=O)N1CCc2cc(NC(=O)Cc3ccoc3)ccc21 185583548 OFQLCIHOQYFAMD-UHFFFAOYSA-N 285.303 1.902 0 50 CDAA CN[C@@H]1CCCN(C[C@H](O)COc2ccccc2)C1 864097323 STKOQDUZSWJHSA-KGLIPLIRSA-N 264.369 1.110 0 50 CDAA Cc1ncn(C)c1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 670450810 FIXCIOSBGGMNGY-LLVKDONJSA-N 264.373 1.331 0 50 CDAA CCc1cc(C(=O)NCc2cc(C)c(C(=O)O)o2)n[nH]1 864188230 FDQYUKBXWZJEEG-UHFFFAOYSA-N 277.280 1.502 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)C1 1875267906 IANUEQQKPALUST-QKGCVVFFSA-N 281.396 1.811 0 50 CDAA CN(Cc1nc(O)n[nH]1)C(=O)C1(Nc2ccccc2)CC1 1875296399 UWBDMDZKTFSFJM-UHFFFAOYSA-N 287.323 1.113 0 50 CDAA CCC(CC)(CNC(=O)[C@@H]1CCc2ncnn2C1)OC 1875276388 WXCAEAQGLHUZJY-LLVKDONJSA-N 280.372 1.162 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CC(C)(C)C2)CC1 1875365691 PJLFLYJFXONZCW-UHFFFAOYSA-N 250.342 1.279 0 50 CDAA C=CC(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C 1875370775 CUJOSTXCARXCQW-AWEZNQCLSA-N 260.337 1.630 0 50 CDAA CCCn1cc(S(=O)(=O)N2CC=C[C@@H]2CC)cn1 952863652 VICBBATUEAKSPD-NSHDSACASA-N 269.370 1.632 0 50 CDAA CC(C)(C)c1cc(CNCCN2CCCC[C@H]2CO)[nH]n1 952972818 UTWDJJJCPDMNLM-AWEZNQCLSA-N 294.443 1.644 0 50 CDAA C[C@@H]1CN(C)C[C@H](c2nnc(/C=C/c3cnn(C)c3)o2)O1 886089112 YAPYLKPGQCWSHV-DJVCXFJCSA-N 289.339 1.365 0 50 CDAA O=C(c1ccccc1)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076016866 MXJIPQFCCVQVCD-KGLIPLIRSA-N 284.319 1.264 0 50 CDAA CNC(=O)c1cc(=NC[C@H](O)c2ccc(C)cc2)cc[nH]1 891809860 PEVYQUYYHWQWRB-HNNXBMFYSA-N 285.347 1.317 0 50 CDAA CN(Cc1ccn(C)n1)C(=O)NC1CC(C)(C)C1 1340481923 BOLNGECDTKWRJR-UHFFFAOYSA-N 250.346 1.750 0 50 CDAA CCc1ncnc(N[C@@H]2C(=O)NCC2(CC)CC)c1F 896673151 GSUJGRDSLFJFQW-LLVKDONJSA-N 280.347 1.895 0 50 CDAA C[C@@H](CCO)C(=O)Nc1cnn(Cc2ccccc2)c1 1775993388 ZHWJXAGMUBAOOJ-LBPRGKRZSA-N 273.336 1.888 0 50 CDAA Cc1nc(C)c(C)c(N2CCC[C@@H](c3cnn[nH]3)C2)n1 1775987601 HJUTZLRXUGUXIK-GFCCVEGCSA-N 272.356 1.904 0 50 CDAA CCN1CCC(n2ncc3c(O)ccc(F)c3c2=O)CC1 899350066 SKAZPLUIMRGFAC-UHFFFAOYSA-N 291.326 1.898 0 50 CDAA C[C@@H](CN1CCOCC1)N(C)Cc1cccc(O)c1 271607482 JUARGXDLDZIXMZ-ZDUSSCGKSA-N 264.369 1.545 0 50 CDAA COc1cc([C@H](C)NCc2ccc(CC(N)=O)cc2)ccn1 673618886 KLGWGRGMAFQPCI-LBPRGKRZSA-N 299.374 1.969 0 50 CDAA COc1cc(C)ccc1OCC(=O)NC1(C(=O)O)CC1 203665538 VYVQIJMQKFMDII-UHFFFAOYSA-N 279.292 1.116 0 50 CDAA CC(=O)N[C@@H](C)C1CCN(c2cc(C)ncn2)CC1 302335176 ARZAERVNSACWQZ-NSHDSACASA-N 262.357 1.526 0 50 CDAA COc1cnccc1CNC(=O)c1ccn(C(C)C)n1 408516122 QTFRVRLQCJIXJC-UHFFFAOYSA-N 274.324 1.798 0 50 CDAA CO[C@]1(C)CCCN(C(=O)c2cnc3n[nH]c(C)c3c2)C1 279910482 IHPHRANJKKVYCJ-OAHLLOKOSA-N 288.351 1.907 0 50 CDAA O=C(NCCCCO)c1ccc2nc[nH]c2c1F 585122287 VNMNVACVRUCPDM-UHFFFAOYSA-N 251.261 1.204 0 50 CDAA Nc1nccnc1C(=O)N1CCN(C2CC2)c2ccccc21 187543092 HXKIVGDQSWTNKD-UHFFFAOYSA-N 295.346 1.688 0 50 CDAA C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)C1CC1)C1CC1 518754892 QRNBYOZJOFZJLE-COPLHBTASA-N 296.411 1.014 0 50 CDAA Cn1cnc(C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1 552035230 OPVJUMWULLLHFE-JOCQHMNTSA-N 299.378 1.968 0 50 CDAA O[C@@H]1COCCN(Cc2coc(-c3ccccc3)n2)C1 77470799 VIMUUUZKZXAJLX-AWEZNQCLSA-N 274.320 1.535 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NCCN1CCOC(C)(C)C1 190917501 AYQDBEODHUZAPU-OLZOCXBDSA-N 284.400 1.029 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1cc(F)ccc1OC 643764322 UOELGJVQPONCIK-OAHLLOKOSA-N 296.342 1.301 0 50 CDAA COc1ccc(CNC(=O)[C@H]2CCCO[C@H]2C)cn1 191616275 XXSNJMKRXDOZNO-JQWIXIFHSA-N 264.325 1.522 0 50 CDAA CCO[C@H]1C[C@H]1C(=O)NCc1ccccc1-n1ccnc1 194282202 FTOKZARFBVMPTQ-HIFRSBDPSA-N 285.347 1.914 0 50 CDAA N[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 195117035 BSVFJLWAJKHTJY-LBPRGKRZSA-N 288.326 1.779 0 50 CDAA CCn1nccc1-c1cn(CCn2ccccc2=O)nn1 656449598 CUAHLVZMJWKLRI-UHFFFAOYSA-N 284.323 1.023 0 50 CDAA CN1CCN(Cc2ccc(Cl)cc2)C[C@@H]1C(=O)O 67884873 ULHAKBRPYJWTKI-GFCCVEGCSA-N 268.744 1.541 0 50 CDAA Cc1nn(C(C)(C)C)cc1C(=O)N(C)CCC(=O)O 659131767 SVVKSOXKQWMXFG-UHFFFAOYSA-N 267.329 1.493 0 50 CDAA Cc1nonc1C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 794272625 LHZZVJAQHKUSMX-WCQYABFASA-N 288.307 1.375 0 50 CDAA COc1cc(C(=O)N(C)C[C@@H](C)CN2CCCC2)ccn1 1506404969 SVBLTKDWBPHALN-CYBMUJFWSA-N 291.395 1.894 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NCCc2cnoc2)s1 907384273 NMUMAVIJTIUKFC-UHFFFAOYSA-N 286.378 1.874 0 50 CDAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCCC1 1529181820 WOOBVXROBJSXSG-HUUCEWRRSA-N 274.364 1.946 0 50 CDAA O=C(N[C@@H]1C=CCC1)C1(N2CCOCC2)CCCCC1 1857687213 RHHWLWWVEUHKBC-CQSZACIVSA-N 278.396 1.856 0 50 CDAA C[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 224561698 APCVUWVIOPHFEM-IRCOFANPSA-N 269.341 1.513 0 50 CDAA CN(Cc1cnn(C)c1)C(=O)Nc1ccc(F)cn1 123331316 RGACZOGQZVEFHZ-UHFFFAOYSA-N 263.276 1.618 0 50 CDAA Cc1nonc1CNC(=O)c1cncc(Br)c1 735820089 DFGYMRFXYJVIGR-UHFFFAOYSA-N 297.112 1.466 0 50 CDAA Cc1ccnc(N2CCCN(C(=O)C3CC3)CC2)n1 152853346 JEGPAHCNJQPENA-UHFFFAOYSA-N 260.341 1.234 0 50 CDAA OCC1(CNCc2nc(Br)cs2)CC1 1614994493 XUNCDCBYEKRKFE-UHFFFAOYSA-N 277.187 1.768 0 50 CDAA Cc1cccc(F)c1CNC(=O)C1CC(C)(O)C1 1615044246 ONYBPTOTGZUMTG-UHFFFAOYSA-N 251.301 1.911 0 50 CDAA Cc1cc(CN(C)CC[C@@H]2COCCO2)ccn1 1775978618 GCGCZTMPIBTPLK-CQSZACIVSA-N 250.342 1.627 0 50 CDAA N[C@H]1CC12CC(NC(=O)Cc1cnccc1C(F)(F)F)C2 1615546446 OHXVISKNCPMFNT-QDYJBQRPSA-N 299.296 1.639 0 50 CDAA CC(C)(C)OC(=O)NC(=N)NC(=O)OC(C)(C)C 2387289 VPWFNCFRPQFWGS-UHFFFAOYSA-N 259.306 1.971 0 50 CDAA biogenic,in-vitro O=C(N[C@H]1CCCN2CCC[C@@H]12)c1cc(O)ccc1F 1772709075 MSGLBHCLQWXWEE-KBPBESRZSA-N 278.327 1.888 0 50 CDAA OC[C@H]1CCCCN1CCCNc1ncnc2cc[nH]c12 1772810433 GONXJDCQONEXJE-GFCCVEGCSA-N 289.383 1.607 0 50 CDAA O=C(c1cnnn1-c1ccccc1)N1CCC[C@H]1C1(O)CC1 1772805293 JIOUXPWVLLWJDH-AWEZNQCLSA-N 298.346 1.397 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@H](O)C[C@@H]2C)cc1 5008153 NOKADRRUIYQFDZ-RYUDHWBXSA-N 269.366 1.529 0 50 CDAA CC(C)c1cc(C(=O)N2CCOCC2)c(N)s1 5977287 SXLOMCCIVKHJQQ-UHFFFAOYSA-N 254.355 1.926 0 50 CDAA CCCNC[C@]1(O)CCCN(Cc2ccccc2F)C1=O 12714991 WJSJBBPDBUORSF-MRXNPFEDSA-N 294.370 1.679 0 50 CDAA O=C(NCCCN1CCOCC1)c1ccccc1F 19535662 SHHHSOUFHUMOOX-UHFFFAOYSA-N 266.316 1.278 0 50 CDAA CCN1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 19790721 KPJRIDHMLWHCQZ-CQSZACIVSA-N 298.814 1.717 0 50 CDAA Cc1ccc(N2C(=O)C[C@H](N3CCCC3)C2=O)cc1 19794468 QXHGQUSYOJLVCB-ZDUSSCGKSA-N 258.321 1.723 0 50 CDAA CN1CCC[C@H](CCNC(=O)c2ccc(C(N)=O)cc2)C1 458195116 QPBMHEJERPXTOM-GFCCVEGCSA-N 289.379 1.247 0 50 CDAA CCc1nn(C)c(CC)c1CN1C[C@@H](C)[C@H](C(N)=O)C1 408473937 UIZHCCNQVBHLLF-GHMZBOCLSA-N 278.400 1.098 0 50 CDAA CCCCCNC(=O)c1ncccc1S(C)(=O)=O 408520961 CYKKKUQEHNCUSM-UHFFFAOYSA-N 270.354 1.405 0 50 CDAA Cc1[nH]c2c(C(=O)N[C@H]3CCOC[C@@H]3O)cccc2c1C 629223202 IIOAFHOCOKDJRL-KBPBESRZSA-N 288.347 1.664 0 50 CDAA O=C(NC1CC1)c1ccc(N2CCCCS2(=O)=O)cc1 5438586 AXTJKEDUSSCTLD-UHFFFAOYSA-N 294.376 1.509 0 50 CDAA COCCn1nc(C)c(NC(=O)N2CC(C)C2)c1C 331828362 XRLYLGGZDLPKQM-UHFFFAOYSA-N 266.345 1.630 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1nc(-c2ccc(F)cc2)no1 332172376 SVVCVAVILYWYDC-RYUDHWBXSA-N 295.289 1.780 0 50 CDAA Cn1nccc1C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653330710 IXTSDVOGGLQVLY-RYUDHWBXSA-N 285.303 1.463 0 50 CDAA O=C(NCCN1CCOCC1)Nc1ccccc1F 19881420 KXAIUAYIAUKCNQ-UHFFFAOYSA-N 267.304 1.279 0 50 CDAA C[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C(=O)O)s2)C1 164042120 PKVTWBSCKPIJJB-JGVFFNPUSA-N 289.378 1.865 0 50 CDAA CN(C)C(=O)c1c[nH]nc1NCc1cnn(C(C)(C)C)c1 902661605 COAOGDBZXHWGRG-UHFFFAOYSA-N 290.371 1.675 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C(=O)C(F)=C1CCCC1 818382819 FDMQAZKSUKMIMK-AWEZNQCLSA-N 284.331 1.277 0 50 CDAA C[C@]1(O)CCOC2(CCN(C(=O)c3ccoc3)CC2)C1 1704340306 FTIYUXZHOWRBTN-AWEZNQCLSA-N 279.336 1.816 0 50 CDAA CCc1ocnc1C(=O)N[C@H](CO)c1ccccn1 908493554 XLUSOMGTYKJTGQ-SNVBAGLBSA-N 261.281 1.095 0 50 CDAA C[C@H](NC(=O)CCc1ccccc1Cl)[C@@H](O)C(=O)O 1875308597 NRMONJQZHSVVEX-QPUJVOFHSA-N 285.727 1.223 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](C3(O)CC3)C2)nn1C 1772818607 VGXNZJCMODQFPZ-NSHDSACASA-N 263.341 1.106 0 50 CDAA OCC[C@@H]1CCc2ccccc2N1Cc1cnon1 852191424 LWZGLFITMRLNEV-ZDUSSCGKSA-N 259.309 1.773 0 50 CDAA CCc1ccc(OCC(=O)NCCN(C)C)cc1 2968031 XMALEYOFHXHURV-UHFFFAOYSA-N 250.342 1.306 0 50 CDAA COc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)ccc1F 127541663 YQVTXGXLZQQLOI-KOLCDFICSA-N 281.283 1.817 0 50 CDAA O=C(c1cccc2cn[nH]c12)N1CCC[C@@H](CO)C1 128412514 FOBRPRAYAKFSNH-SNVBAGLBSA-N 259.309 1.407 0 50 CDAA C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1CO 189183493 VQKPTOVGRSDQEN-ZJUUUORDSA-N 289.784 1.589 0 50 CDAA COc1cc(F)ccc1CN1CCO[C@@H](CCN)C1 426502874 IXNASXWVZBPNBV-ZDUSSCGKSA-N 268.332 1.384 0 50 CDAA N[C@H]1CC[C@@H](C(=O)N2CCCC3(CCOCC3)C2)C1 361723185 LWPICDKONWVFRJ-OLZOCXBDSA-N 266.385 1.533 0 50 CDAA Cc1cc(N2CC[C@@H](c3cnn(C)c3)C2)nc(N)n1 734833739 SWOLQYOBDIVLEE-SNVBAGLBSA-N 258.329 1.095 0 50 CDAA CN(C)c1cccc(NC(=O)c2c[nH]c3ncnc(O)c23)c1 2325865080 LXQKVWMJGKORHP-UHFFFAOYSA-N 297.318 1.982 0 50 CDAA CC(C)c1noc(Cn2ccnc2C[C@@H](C)O)n1 2325880090 URDHSNQYNIJMGS-SECBINFHSA-N 250.302 1.361 0 50 CDAA O=C(c1ccco1)N1CCN(C(=O)c2cccs2)CC1 115693 DBUDGIGZEQSNOC-UHFFFAOYSA-N 290.344 1.939 0 50 CDAA NC1=NC(Cl)=N[C@@H]2[C@H]1N=CN2Cc1ccccc1 209799 ILYXPQMNTRYUJR-ONGXEEELSA-N 261.716 1.191 0 50 CDAA O=C(NN1CCOCC1)c1cc2c(s1)CCCC2 1055853 JUBIALWBCWBUOM-UHFFFAOYSA-N 266.366 1.604 0 50 CDAA CCOC(=O)C(CCN(CC)CC)C(=O)OCC 2166419 VUWCENLYPTYEFB-UHFFFAOYSA-N 259.346 1.461 0 50 CDAA CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)O 2562450 BZQOWFKRUIHRDH-WPRPVWTQSA-N 261.318 1.371 0 50 CDAA CS(=O)(=O)N(CC(=O)O)c1ccccc1Cl 2965050 VDHGIEIMAGBLCP-UHFFFAOYSA-N 263.702 1.191 0 50 CDAA C[C@H](Oc1ccc(/C=C2/SC(=O)NC2=O)cc1)C(=O)O 2979379 LMZFDRWNTAFDAT-FSEMZKDTSA-N 293.300 1.862 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)NCc1ccccc1F 6725852 KIBCVIVZUYWQQB-UHFFFAOYSA-N 283.328 1.346 0 50 CDAA COc1ccc(NC(=O)N2C[C@@H](C)[C@](C)(CN)C2)c(C)n1 415265793 GAJLXTLMEHLFQF-MEBBXXQBSA-N 292.383 1.847 0 50 CDAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1 55008587 GJQULNRFXWORNU-ZDUSSCGKSA-N 294.326 1.079 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C(=O)O)C[C@H]2C1 100003721 QGUILIYSENMTGT-OWUUHHOZSA-N 255.314 1.964 0 50 CDAA CCc1nnc(CNC(=O)C2(COC)CCC2)s1 65382514 OMIGPMRTJPEKJK-UHFFFAOYSA-N 269.370 1.533 0 50 CDAA Cn1cc(C(=O)N[C@H]2CCSC2)c(=O)c2ccccc21 20272649 ONINQUAWMZXOAK-JTQLQIEISA-N 288.372 1.774 0 50 CDAA Cc1ncc2c(c1-c1noc(-c3cnc[nH]3)n1)CCNC2 20202785 WTHIZEIKTKHONN-UHFFFAOYSA-N 282.307 1.476 0 50 CDAA O=C1[C@H](NC[C@H]2C[C@H]3C=C[C@H]2C3)CCN1C1CCOCC1 136364394 JGLHUVGBCHVGMU-TTZDDIAXSA-N 290.407 1.568 0 50 CDAA Cc1nc(SCC(=O)O)[nH]c(=O)c1Cc1ccccc1 20029256 AMBBLNLBQADFKT-UHFFFAOYSA-N 290.344 1.846 0 50 CDAA COc1ccc2c(c1Br)C(=O)C(=O)N2 136540310 ZGBUBQYGLBBQEI-UHFFFAOYSA-N 256.055 1.593 0 50 CDAA O=C(Cc1ncccc1F)N1CCC[C@H](CCO)CC1 422070302 JFYPKYNTUAAVPV-LBPRGKRZSA-N 280.343 1.774 0 50 CDAA CCc1ncnc(N2CCC[C@@H](CCC(N)=O)C2)c1F 301959826 HGVPPOJZFDZXSJ-JTQLQIEISA-N 280.347 1.660 0 50 CDAA O=C(Nc1cnn2c1NCCC2)c1ccc2c(c1)CCO2 1506418323 PZSUJHZQUWWLOF-UHFFFAOYSA-N 284.319 1.886 0 50 CDAA O=[Sn](c1ccccc1)c1ccccc1 170156729 VPPWQRIBARKZNY-UHFFFAOYSA-N 288.922 1.223 0 50 CDAA Cc1nnc(NC(=O)CNC(=O)c2ccccc2C)s1 65363283 VGVDZEZMDBKWGQ-UHFFFAOYSA-N 290.348 1.523 0 50 CDAA Cc1nnc(NC(=O)N2CCC([C@@H](C)O)CC2)s1 63856163 KCRVIJIHKMHQGD-SSDOTTSWSA-N 270.358 1.471 0 50 CDAA c1cncc(-c2noc(CCN[C@@H]3CCSC3)n2)c1 65395292 LBIZWTNUXFCZKQ-LLVKDONJSA-N 276.365 1.769 0 50 CDAA Cc1ncsc1C(=O)N[C@@H]1CCN2CCCC[C@@H]12 229386515 ZDHRHUISLOBDHU-MNOVXSKESA-N 265.382 1.808 0 50 CDAA CC[C@@H](C)OCC(=O)N1CCO[C@H](c2noc(C)n2)C1 330776419 ZPXQWAKJNOEKOG-KOLCDFICSA-N 283.328 1.093 0 50 CDAA CN1CCCC[C@H]1c1n[nH]c(=O)n1CCc1ccccc1 67967470 LTXHEXPLQSHYEY-AWEZNQCLSA-N 286.379 1.971 0 50 CDAA COC[C@H]1CN(C(=O)NCC2=CCOCC2)CC(C)(C)O1 519628408 OKCGNICSMCVAGP-CYBMUJFWSA-N 298.383 1.169 0 50 CDAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)NC(C)(C)C 252477251 KVWQMJHJSBYUBJ-MGPQQGTHSA-N 297.443 1.974 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)[nH]n1 67871979 IABZEQHWRZDIEO-SECBINFHSA-N 287.319 1.808 0 50 CDAA Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)O)C[C@H]2C)o1 235349980 OBJHPSATUFIPHT-GMSGAONNSA-N 266.297 1.617 0 50 CDAA CCOC(=O)C(Cc1c[nH]c2ncccc12)C(=O)OCC 38540161 OYZUYWXXBYTHKY-UHFFFAOYSA-N 290.319 1.848 0 50 CDAA CCCn1cc(CNC(=O)COC[C@H]2CCCCO2)cn1 219898523 HPQLXKGIFGCEGO-CQSZACIVSA-N 295.383 1.495 0 50 CDAA COc1ccnc(CN(C)C[C@@H]2CCc3nccn3C2)c1 328630139 JBJMCDKCHOPDBD-ZDUSSCGKSA-N 286.379 1.981 0 50 CDAA O=S(=O)(N[C@@H]1CCO[C@@H]1C1CC1)c1ccsc1 329082082 SDJIPCXBVULPSW-GHMZBOCLSA-N 273.379 1.594 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)C1CC1 219547714 BWPFVNFCHJLIQJ-HUUCEWRRSA-N 275.348 1.887 0 50 CDAA O[C@H]1COCCN(Cc2ccc(F)c(F)c2F)C1 77406213 PYECJNUTTHBIKJ-SECBINFHSA-N 261.243 1.297 0 50 CDAA CN(C)c1nc(=NCc2cnc([C@H]3CCCO3)s2)[nH][nH]1 330136585 UHCKBJXWPAHDJT-SECBINFHSA-N 294.384 1.213 0 50 CDAA CCCNC(=O)COc1c(CC(=O)OC)cccc1OC 521396169 CNUNQGZKPPHDEC-UHFFFAOYSA-N 295.335 1.316 0 50 CDAA O=C1NCCCC1(Br)Br 32189755 YKKWDHCNKKHPCD-UHFFFAOYSA-N 256.925 1.383 0 50 CDAA COc1ccc2nc(CCNC(=O)c3nccn3C)[nH]c2c1 216439476 URQHFURXGSGNMX-UHFFFAOYSA-N 299.334 1.278 0 50 CDAA Cc1cc(-n2cncn2)ccc1C(=O)N(C)C1CCNCC1 237110745 NDFFTFHBADAMNO-UHFFFAOYSA-N 299.378 1.400 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC(C(=O)O)CC2)o1 237801982 ZXJVIIPYFOXDKR-UHFFFAOYSA-N 251.282 1.833 0 50 CDAA Cn1c(CCCCc2n[nH]c(=S)n2C)n[nH]c1=S 36646400 NBEPSEZSFHGHCK-UHFFFAOYSA-N 284.414 1.834 0 50 CDAA O=C(O)CN(C(=O)[C@H]1CC1(Cl)Cl)C1CCOCC1 238104513 JEGYMTSVKPRLQF-MRVPVSSYSA-N 296.150 1.272 0 50 CDAA CC(C)[C@@H](O)CC(=O)N1CCC2(CCOCC2)CC1 375911196 DODGYCHJSAAYQY-ZDUSSCGKSA-N 269.385 1.813 0 50 CDAA COC(=O)[C@@H]1CC(=O)c2c(cc(OC)cc2OC)C1 44122634 ODNQSJMFBAECSV-VIFPVBQESA-N 264.277 1.622 0 50 CDAA CN1C(=O)CC[C@@H](NCc2ccco2)[C@@H]1c1ccnn1C 284658623 VVAJPFUJCCYFLW-IUODEOHRSA-N 288.351 1.465 0 50 CDAA CN1CC2(CCN(c3ncccc3F)CC2)CC1=O 77408104 QHNBRKKOLJHEFF-UHFFFAOYSA-N 263.316 1.669 0 50 CDAA CCOC[C@@H](O)COc1ccc(-c2ncn(C)n2)cc1 242197025 XHEQSBSWIRPZSU-GFCCVEGCSA-N 277.324 1.258 0 50 CDAA Cn1c(SCC(=O)O)nc2c(oc3ccccc32)c1=O 40456174 IQYDRIQWMVTUEI-UHFFFAOYSA-N 290.300 1.856 0 50 CDAA CC(C)c1ccoc1C(=O)NC[C@]1(O)CCO[C@H]1C 287097438 OEPFDLYRJWBFPD-IINYFYTJSA-N 267.325 1.673 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O=S1(=O)CC[C@H](N/C(O)=C2\N=NC3=C2CCCC3)C1 334159253 GBPQOGRANFJMOE-BVKVCPRXSA-N 283.353 1.784 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)c1c(Cl)nc2ccccn12 237408432 IPHXLODVIZYYIS-NXEZZACHSA-N 292.770 1.940 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)Nc1c(C)noc1C 95498026 AHALAVIFVCVHFI-QMMMGPOBSA-N 278.316 1.786 0 50 CDAA CC(C)c1nccn1[C@H](C)C(=O)NCCc1cnccn1 95368517 YJLWAYMOSAQOCA-GFCCVEGCSA-N 287.367 1.716 0 50 CDAA CCCc1noc(CN(C)Cc2n[nH]c(CC)n2)n1 243932310 BURGUUXTSSHPLD-UHFFFAOYSA-N 264.333 1.335 0 50 CDAA O=C1NCCN(CCc2ccccn2)[C@@H]1c1cccc(F)c1 244701205 KCCVBJYZNRRUHP-MRXNPFEDSA-N 299.349 1.936 0 50 CDAA Cc1ccn(CCN(C)[C@@H](C)Cc2cnccn2)n1 244685567 ISMUEWMXHMOUJD-ZDUSSCGKSA-N 259.357 1.545 0 50 CDAA Cc1nnc(CN2CCN(c3nc4ccccc4o3)CC2)o1 244626817 FTGVVYUFJDPLJT-UHFFFAOYSA-N 299.334 1.841 0 50 CDAA CN(CCn1cc[nH]c1=O)Cc1ccc2nsnc2c1 244724251 MQOSABVHHJPSAH-UHFFFAOYSA-N 289.364 1.313 0 50 CDAA Cc1[nH]c2ncnc(NC(=O)CCc3cnn(C)c3)c2c1C 182646098 HKBBSPCQVPWJQL-UHFFFAOYSA-N 298.350 1.880 0 50 CDAA 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KFICXBXJXVWQMT-IWSPIJDZSA-N 277.292 1.781 0 50 CDAA Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 278649853 ZSDMQFQQTOEPKH-RMRHIDDWSA-N 288.395 1.551 0 50 CDAA COc1ccc(CCc2nnc3n2CCOC3)cc1 516088663 ILWXBTHYPVVZRH-UHFFFAOYSA-N 259.309 1.602 0 50 CDAA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCNC3)cn2)n1 170599548 OWAFNXHRXCSLCI-ZDUSSCGKSA-N 299.378 1.822 0 50 CDAA COCCNC(=O)[C@@H](C(C)C)N1CCc2ccccc2C1 170593303 UCORCQLZSFJXSW-MRXNPFEDSA-N 290.407 1.832 0 50 CDAA Cn1c(CN2CCC[C@]23CCOC3=O)nnc1C1CCC1 186744864 XSAPJHDFAANZHS-OAHLLOKOSA-N 290.367 1.364 0 50 CDAA CO[C@@H]1CCC[C@@H](CC(=O)N2CCC(C(=O)O)CC2)C1 668266675 RDCSDXIIMFFBBR-DGCLKSJQSA-N 283.368 1.905 0 50 CDAA Cc1csc(NC(=O)Cn2cnc(C)c(C)c2=O)n1 188245134 HKLBEHLEYJVGQK-UHFFFAOYSA-N 278.337 1.264 0 50 CDAA O=C1C[C@@H](N2C[C@H]3CCC[C@@H](C3)C2)C(=O)N1C1CC1 671644130 OLIMTFQJGVNOTD-GMXVVIOVSA-N 262.353 1.398 0 50 CDAA Cc1nc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)c(C)o1 640865711 GSTDUALZZTZTAR-UPJWGTAASA-N 293.367 1.009 0 50 CDAA CC(C)n1cc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cn1 583622853 YLTIDWLPDDCMPH-XHSDSOJGSA-N 293.411 1.826 0 50 CDAA COCC1(CN2CCC[C@](O)(CC(=O)N(C)C)C2)CCC1 643812197 IUKKWGNNOREVRZ-INIZCTEOSA-N 298.427 1.108 0 50 CDAA COC(=O)c1cccc(OCCCO)c1C(=O)OC 585138774 XFXQWHNZFGAYDC-UHFFFAOYSA-N 268.265 1.021 0 50 CDAA CC(C)(C)CNCc1ccc(S(N)(=O)=O)s1 585118249 IDEXOFREMGQRIU-UHFFFAOYSA-N 262.400 1.531 0 50 CDAA O=c1c2cccnc2ncn1CCO[C@@H]1CCCCO1 193369688 PRMCQQMDZRKTBH-GFCCVEGCSA-N 275.308 1.335 0 50 CDAA CS(=O)(=O)Nc1ccc(Br)cc1C(=O)O 41626009 JHPDYTWKYXLERH-UHFFFAOYSA-N 294.126 1.519 0 50 CDAA in-vitro CC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2ccsc2)C1 652389755 DBSJXFADJQDTAJ-VXGBXAGGSA-N 282.365 1.474 0 50 CDAA COC(=O)c1ccc(F)c(Cn2ncccc2=O)c1 195418018 ZWTMXNRWHWRJKV-UHFFFAOYSA-N 262.240 1.217 0 50 CDAA COC(=O)[C@@H]1CCCN1c1nc(C)nc2c1CCCC2 195579861 YBZCCVXMLWUDAZ-ZDUSSCGKSA-N 275.352 1.806 0 50 CDAA Cn1cc(CN2CCO[C@@H](CO)C2)c(C2CCCCC2)n1 195560387 YJYOUGYFAFYWMF-OAHLLOKOSA-N 293.411 1.661 0 50 CDAA O=C(NC[C@H]1CCCS1(=O)=O)c1cccc(C2CC2)c1 569821622 AJWIWHUMNUHSOS-CQSZACIVSA-N 293.388 1.871 0 50 CDAA O=C1C[C@@H](Oc2ccc(NC(=O)[C@H]3CCCOC3)cc2)N1 573079252 NRPDVINQPKPRJR-IINYFYTJSA-N 290.319 1.277 0 50 CDAA Cn1ccnc1NC(=O)[C@@H]1CC(=O)OC12CCCC2 1506406718 OASHYSQZXDMWAQ-VIFPVBQESA-N 263.297 1.235 0 50 CDAA Cc1ccc(C(=O)O)c(NCCN2CCCC[C@@H]2CO)n1 1529179628 ZWMUIKGJSDGJFU-GFCCVEGCSA-N 293.367 1.347 0 50 CDAA CCn1cnnc1CCNc1nc(C)ncc1Cl 1704329296 PNBRTIDTKHAJEB-UHFFFAOYSA-N 266.736 1.704 0 50 CDAA O=C(c1cnn[nH]1)N1CCC(n2cc(Cl)cn2)CC1 408162669 YJPGSWXWGJJQPT-UHFFFAOYSA-N 280.719 1.132 0 50 CDAA O=C1CCOC2(CCN(c3ccc(Cl)cn3)CC2)CN1 1704315741 VACYJCHEIXQHPJ-UHFFFAOYSA-N 295.770 1.611 0 50 CDAA O=C(O)C[C@H](NC(=O)C(F)(F)F)c1cccs1 2585625 LAPSEFLUNMVPQL-YFKPBYRVSA-N 267.228 1.942 0 50 CDAA in-vitro COC[C@H](C)NC(=O)[C@@]12CC[C@@](C)(C(=O)C1)C2(C)C 12276978 DLFWTIZLQZDAOJ-NZVBXONLSA-N 267.369 1.923 0 50 CDAA CCCCNC(=O)N[C@H](CO)Cc1nccs1 1615586160 JJBWUDQIBZUOOH-VIFPVBQESA-N 257.359 1.146 0 50 CDAA Cc1ccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)cc1 1615739784 ODAXZSUCUFUVRI-RDJZCZTQSA-N 283.375 1.820 0 50 CDAA CC[C@@H]1COCc2nnc(CC3CCNCC3)n21 1772810839 PLNXEFKQXNRDEZ-LLVKDONJSA-N 250.346 1.302 0 50 CDAA O=C(c1cnc(O)c(Cl)c1)N1CCC[C@@H]1C1(O)CC1 1772813906 ASIRCPGIJKGJSQ-SNVBAGLBSA-N 282.727 1.570 0 50 CDAA OC1(c2cccnc2)CCN(CC[C@@H]2COCCO2)CC1 1775977497 JKMQFLWDJXHKHG-OAHLLOKOSA-N 292.379 1.171 0 50 CDAA COc1cc(CNC(C)(C)C)ccc1OCCO 5063622 OTJNFQACPQSIOY-UHFFFAOYSA-N 253.342 1.954 0 50 CDAA O=C1OCCN1[C@H](c1ccccn1)n1nnc2ccccc21 5800684 OPXXZUWWTVGDFV-AWEZNQCLSA-N 295.302 1.825 0 50 CDAA O=C1C[C@@H](C(=O)N2CC=CC2)c2cc(F)ccc2N1 19147007 QUFUKZKDODZOCY-LLVKDONJSA-N 260.268 1.650 0 50 CDAA O=C(NCCN1CCOCC1)c1ccc(Cl)cc1 19606670 YHXISWVBGDMDLQ-UHFFFAOYSA-N 268.744 1.402 0 50 CDAA world CCc1ccc(OCCOCCN2CCOCC2)cc1 19638067 CUWPFCJYYDRORP-UHFFFAOYSA-N 279.380 1.977 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(C)CCOCC3)n[nH]c21 1857529104 VVNXFNNWHJDPEC-ZJUUUORDSA-N 293.367 1.731 0 50 CDAA CC(=O)NCC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 241846653 SMPNCPAIRLJZSM-GXTWGEPZSA-N 278.327 1.714 0 50 CDAA C[C@]1(O)CCN(C(=O)[C@@H]2C[C@@]23CCOc2ccccc23)C1 337868503 SHTNEIOBUBUXLM-RRQGHBQHSA-N 287.359 1.710 0 50 CDAA CC(=O)NC1CN(C(=O)N[C@@H](C)c2c(C)cccc2C)C1 225527508 RRLUGGZVBJEHQQ-LBPRGKRZSA-N 289.379 1.894 0 50 CDAA COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCCC1 4487271 DMBFUPPDJYCILS-CQSZACIVSA-N 293.363 1.733 0 50 CDAA COC(=O)c1n[nH]cc1NC(=O)[C@H]1CCc2ccccc21 432775075 GQJZOCVTBIBMRQ-NSHDSACASA-N 285.303 1.865 0 50 CDAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1COCCN1 237355773 VSZOYSJBKGABOP-ZLDLUXBVSA-N 292.354 1.519 0 50 CDAA CN(C)C(=O)N1CCC(C(=O)N[C@H]2CC[C@@H](F)C2)CC1 334184845 BWCMBHFAECQNKI-NEPJUHHUSA-N 285.363 1.387 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 11891384 TYXDMRWXGCPHPT-NSHDSACASA-N 263.293 1.389 0 50 CDAA in-vitro O=C1CC(c2cccc(Br)c2)CC(=O)N1 12649030 XKLMZPIKSUMFTO-UHFFFAOYSA-N 268.110 1.969 0 50 CDAA in-vitro COCCN1C[C@H](c2ccccc2OC)[C@@H](C(=O)O)C1 247834944 IXGBTVVXVMCFNR-OLZOCXBDSA-N 279.336 1.442 0 50 CDAA CCc1nc(CN2[C@H](C(=O)OC)C[C@H]3CCCC[C@H]32)n[nH]1 248481824 ILRMZAFCWCZFEF-UTUOFQBUSA-N 292.383 1.673 0 50 CDAA Clc1nc(I)nc2nc[nH]c12 22114326 SZRNPDHDBPGZOA-UHFFFAOYSA-N 280.456 1.611 0 50 CDAA in-vitro COC(=O)c1conc1C(C)(C)NC(=O)c1c[nH]cc1C 591589526 RMFFWWVZTHTPGL-UHFFFAOYSA-N 291.307 1.763 0 50 CDAA Cc1nonc1C(=O)NC[C@H]1CCO[C@@H]1C(C)C 267440914 OGXRJSFRPJBMCT-MWLCHTKSSA-N 253.302 1.169 0 50 CDAA CCOc1ccnc(N[C@H]2CCC[C@@H]2N(C)C)n1 1875275812 UHQBLSADFIVHSV-QWRGUYRKSA-N 250.346 1.770 0 50 CDAA COc1cnc(C(=O)N[C@H]2C[C@@H](N)C23CCC3)c(F)c1 1649141355 CMHDIMDVYCBXCK-MNOVXSKESA-N 279.315 1.229 0 50 CDAA COc1ccc2c(c1)C[C@H](C(=O)Nc1cnnn1C)CO2 905109225 CXTXYLNEMNMDNT-JTQLQIEISA-N 288.307 1.014 0 50 CDAA COc1cc(CCO)ccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)O 911701131 ONRAIMDRRQAHLD-MNOVXSKESA-N 293.319 1.279 0 50 CDAA O=C(CCS(=O)(=O)c1ccccc1)NC1CCCC1 2809200 LHKGVLANEIEUBB-UHFFFAOYSA-N 281.377 1.909 0 50 CDAA CO[C@H]1C[C@@H](NC(=O)Cc2cccc(N)c2)C1(C)C 234786057 NOAGHWKHQVUBSD-OLZOCXBDSA-N 262.353 1.741 0 50 CDAA CC(=O)N1CCc2cc(S(=O)(=O)NCC(C)C)ccc21 10218336 PDGLBQVLTHPIGQ-UHFFFAOYSA-N 296.392 1.530 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2CCCO2)c2ccccc21 157706178 NUXINHAYSMSJQY-DGCLKSJQSA-N 275.304 1.771 0 50 CDAA OCCCC1CCN(c2ncnc3[nH]ccc23)CC1 272945181 WJBZCEHBDTYEDD-UHFFFAOYSA-N 260.341 1.947 0 50 CDAA CCc1cc(NC(=O)c2ccc3nccn3c2)[nH]n1 171805394 LSLJIEKWAJGDMQ-UHFFFAOYSA-N 255.281 1.872 0 50 CDAA Cc1cnccc1CCN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 293603059 LGSJUNCURCYXLE-LSDHHAIUSA-N 296.436 1.878 0 50 CDAA CSc1ccccc1C(=O)N1CCOC[C@@H](CO)C1 77287551 MIXNQMFKLGTVFW-LLVKDONJSA-N 281.377 1.489 0 50 CDAA FC(F)(F)c1nccc(NCCc2c[nH]cn2)n1 91305690 MNVISUJTVCKOGJ-UHFFFAOYSA-N 257.219 1.873 0 50 CDAA C[C@@H](Cc1cccnc1)NC(=O)CCc1cn[nH]c1 889673230 ZFCRWCXRSZLZET-NSHDSACASA-N 258.325 1.485 0 50 CDAA CN1CCCC[C@H]1CNC(=O)c1n[nH]cc1-c1ccncc1 2325798224 XUUWQFYCTMXVEJ-ZDUSSCGKSA-N 299.378 1.686 0 50 CDAA Cc1n[nH]cc1C(=O)NC1(c2c(F)cccc2F)COC1 886635439 JQXSNDRPBPUAGF-UHFFFAOYSA-N 293.273 1.652 0 50 CDAA CC[C@H](C(=O)O)N(C)C(=O)c1ccc(OC)cc1F 228705349 UEKJXOCSDKAGLK-LLVKDONJSA-N 269.272 1.770 0 50 CDAA Cc1nnc(SCC(=O)NC2CCCC2)s1 472327 WOEWVUCFBKRTEM-UHFFFAOYSA-N 257.384 1.997 0 50 CDAA O=C(O)CN(Cc1ccccc1)C(=O)C(F)(F)F 2143634 NJOPPTWVXZFEAL-UHFFFAOYSA-N 261.199 1.662 0 50 CDAA CCN(C[C@@H](O)CS(=O)(=O)O)c1cccc(C)c1 2168443 ZTQGWROHRVYSPW-GFCCVEGCSA-N 273.354 1.070 0 50 CDAA in-vitro COC[C@@]12COC[C@@H]1CN(c1ncc(Cl)cc1F)C2 2356147607 FCXAKVYPEBDAKA-ZANVPECISA-N 286.734 1.973 0 50 CDAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 2964208 BAWIGQLCZFAUNM-JTQLQIEISA-N 282.365 1.349 0 50 CDAA COC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1C 6703785 PMFHJRGSNVYXGO-LBPRGKRZSA-N 263.293 1.899 0 50 CDAA Cn1c(N[C@@H]2CCCCNC2=O)nc2ccc(F)cc21 814255792 ALBBXLUCXSZYBM-LLVKDONJSA-N 276.315 1.793 0 50 CDAA CCOc1cccc(CN(CCO)Cc2ncc[nH]2)c1 55360910 MQQSIQYMWWKCMS-UHFFFAOYSA-N 275.352 1.803 0 50 CDAA CONC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C 134771067 VYDQNWHVEPYABA-UHFFFAOYSA-N 276.214 1.630 0 50 CDAA CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@H]1O3 100833470 HAAXOVZVIGJHJY-OEUWWYETSA-N 299.326 1.536 0 50 CDAA Cc1ncc(C(=O)NCCNc2cccnc2)c(C)n1 67966955 XWKCYJGWFOLOIG-UHFFFAOYSA-N 271.324 1.330 0 50 CDAA CC1(C)CNC(=O)c2nc(C[C@H]3CCCCO3)[nH]c2C1 65394370 DLUUQNOITCEZDA-SNVBAGLBSA-N 277.368 1.833 0 50 CDAA CN1CCC(N(Cc2ccncc2)Cc2cncn2C)CC1 67688706 PVIAVBMJYUUPLI-UHFFFAOYSA-N 299.422 1.912 0 50 CDAA CCNC(=O)NC(=O)CN(C)Cc1ccc([C@@H]2C[C@H]2C)o1 252444039 VGKDAEOFQMRJJD-ZYHUDNBSSA-N 293.367 1.681 0 50 CDAA C[C@@H](N(C)C(=O)c1coc(S(N)(=O)=O)c1)C1(C)CC1 331965255 VNYJEWPINHQVJJ-MRVPVSSYSA-N 286.353 1.188 0 50 CDAA Cc1nc(CN(CCc2ccccc2)[C@@H]2CCOC2)n[nH]1 428220912 IUHDQTQAQLNGFZ-OAHLLOKOSA-N 286.379 1.947 0 50 CDAA CC1=C(C(=O)N2C[C@H]3CC=CC[C@H]3C2)[C@H](C)NC(=O)N1 67920063 ZGSAZLZUTZRZJV-ZMLRMANQSA-N 275.352 1.386 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)C1 252536706 JFPFSSFXVPUSOG-PREPNJAASA-N 263.337 1.602 0 50 CDAA O=S(=O)([C@H]1CCOC1)N1CCC[C@H]1c1ccco1 252506098 PIHQNXHBEQTLQR-QWRGUYRKSA-N 271.338 1.535 0 50 CDAA CCN1CCC[C@@H](NCc2ccccc2-n2cncn2)C1 65393922 YLRUECLBCKQFFL-OAHLLOKOSA-N 285.395 1.841 0 50 CDAA COc1cc2c(c(O)c1OC)C(=O)[C@@H](OC)CCC2 285887 JVPROWICRHWDAR-VIFPVBQESA-N 266.293 1.943 0 50 CDAA CC(C)n1cc(C=O)c(I)n1 408717484 CGVGHDUFRSJPOV-UHFFFAOYSA-N 264.066 1.881 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)[C@@H]1CCCO1 328632478 RYGXROOTFXIADK-RYUDHWBXSA-N 263.341 1.083 0 50 CDAA Cc1cc(N2CC[C@@H](N(C)Cc3ncccn3)C2)ncn1 328628071 GXRZNDUGALAYLI-CYBMUJFWSA-N 284.367 1.286 0 50 CDAA Cc1nc([C@@H]2CCCNC2)cc(N2CCCOCC2)n1 39430451 BNILQERTVPXMOG-CYBMUJFWSA-N 276.384 1.479 0 50 CDAA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc2c(c1)CCC2 71767479 LKYHJSFVJKBAMG-LLVKDONJSA-N 274.364 1.772 0 50 CDAA COc1cc(C)nc(N2CCC(Cn3cncn3)CC2)n1 330222416 RVVJOTPLZSSSMX-UHFFFAOYSA-N 288.355 1.302 0 50 CDAA C[C@H](O)[C@H](C)SCCN1C(=O)NC2(CCCC2)C1=O 172951430 JBDGJWUSJAPXII-UWVGGRQHSA-N 286.397 1.354 0 50 CDAA COc1cccc2c(N3CC[C@]4(CNC(=O)C4)C3)nccc12 333677967 KMBAKMBZMRTMOW-KRWDZBQOSA-N 297.358 1.960 0 50 CDAA O=C(O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 36818742 DNDZJFLKBPWFOG-VIFPVBQESA-N 282.683 1.630 0 50 CDAA in-vitro C[C@@H](C(=O)O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 237478673 LTFGOGHWQSCEPG-JTQLQIEISA-N 294.326 1.949 0 50 CDAA CS(=O)(=O)c1ccc(NCC(F)(F)CN)c(F)c1 261590037 WQUXJURBDZOWSH-UHFFFAOYSA-N 282.287 1.235 0 50 CDAA C[C@H]1CN(C(C)(C)CNCc2ncc[nH]2)C[C@H](C)O1 237661286 BUVFLGPYMAINPY-RYUDHWBXSA-N 266.389 1.387 0 50 CDAA Cc1ccc(/C=C/CC(=O)N2C[C@H](O)C[C@H]2CO)cc1 371513121 BTVRGGXMGXQLSU-MQQKUOPWSA-N 275.348 1.352 0 50 CDAA CN(C)C[C@@]1(O)CCCN(Cc2ccccc2C(=O)O)C1 215221364 SSDVOLKSIYHVER-INIZCTEOSA-N 292.379 1.273 0 50 CDAA CN(C)C/C=C/C(=O)N1CCO[C@H]2CCCC[C@H]21 377773329 DJWOIYBODBTEAE-FMQXYTONSA-N 252.358 1.274 0 50 CDAA CN(C(=O)c1cc2n(n1)CCO2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 378025034 KIEDIWYJLYMMSC-OASPWFOLSA-N 291.351 1.161 0 50 CDAA COc1cc(C)sc1C(=O)N1CCC[C@H](N)C1 158489262 CYZNUAIYGFDTQF-VIFPVBQESA-N 254.355 1.628 0 50 CDAA Cc1ccn(-c2ccc(NCC(=O)NC3CC3)cc2)n1 240454692 FYDYUXPZBHZJQZ-UHFFFAOYSA-N 270.336 1.871 0 50 CDAA Cc1cc(N[C@H](C)Cn2cncn2)n2nc(C)c(C)c2n1 72420270 LMCIKOBNHFDKLR-SNVBAGLBSA-N 285.355 1.747 0 50 CDAA COC[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)CC(C)(C)O1 285512840 NURHBFKZDWCEKG-LLVKDONJSA-N 293.367 1.553 0 50 CDAA CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(C(C)C)cn1 291437609 MAYYRZZGUXUGCV-AWEZNQCLSA-N 289.379 1.946 0 50 CDAA Cc1nc(CCCNC(=O)[C@H]2CCCO2)sc1C 223064521 COTPPKBKPXEHKW-LLVKDONJSA-N 268.382 1.988 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)CCc1scnc1C 220426961 YEXHVFMYMXAUGT-GHMZBOCLSA-N 284.381 1.304 0 50 CDAA Nc1cccc(C(=O)Nc2cncnc2N2CCCC2)c1 423862671 UAMYAGAQPFICOK-UHFFFAOYSA-N 283.335 1.911 0 50 CDAA COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)c1 222247392 FXKVHHCRDJIHHE-WRFANHODSA-N 299.326 1.918 0 50 CDAA CCc1nnc(CNC(=O)c2cc(=O)cc(C)[nH]2)s1 426405078 CBRHNECQESYQBF-UHFFFAOYSA-N 278.337 1.027 0 50 CDAA CCOc1ccc(C(=O)N2CCC[C@@]3(CNC(=O)O3)C2)o1 221263066 JBANZUFPAOJPPJ-CQSZACIVSA-N 294.307 1.393 0 50 CDAA CO[C@H](C)c1nc(C)c(C(=O)N(C)[C@H]2CCNC2)s1 179095193 DEXPCHCGWXVCFY-ZJUUUORDSA-N 283.397 1.593 0 50 CDAA Cc1c(CC(=O)N(C)Cc2ccncc2)cnn1C 292192766 KBMQJXYRKSOUSJ-UHFFFAOYSA-N 258.325 1.325 0 50 CDAA CC(C)c1noc([C@@H](C)NC(=O)CCn2ccnc2)n1 426612975 SWWITXKFGKMVBU-SNVBAGLBSA-N 277.328 1.657 0 50 CDAA Cn1ccnc1CN1CCN(C[C@H]2CC=CCC2)CC1 93108255 UOAXFXWWCHLZRL-HNNXBMFYSA-N 274.412 1.894 0 50 CDAA Cc1cccc2c1C(=O)[C@H](CN1CCOCC1)CO2 96028173 AYEIYFSLYZGZIE-GFCCVEGCSA-N 261.321 1.519 0 50 CDAA CCc1cccc([C@@H](C(=O)O)N(C)CCOC)c1 95353588 XFTWBXLLUSAZPK-ZDUSSCGKSA-N 251.326 1.953 0 50 CDAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](N)C1 236889847 NPRDVLYEYKWFPJ-ZYHUDNBSSA-N 266.316 1.543 0 50 CDAA Cc1cnc(CN2CCC(c3cc[nH]n3)CC2)cn1 332460443 PYWKCBYEKWMGGC-UHFFFAOYSA-N 257.341 1.888 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)CCCOc3ccccc3)C[C@H]21 244774094 PNUBJLMHIWXXOW-NHAGDIPZSA-N 289.331 1.635 0 50 CDAA CC[C@H](NC(=O)c1ccc(O)cc1C)[C@H]1C[C@H](O)C1 244875124 XNAHKPYEQBDALM-JKOKRWQUSA-N 263.337 1.980 0 50 CDAA C[C@H](C(=O)NC1CCCC1)N(C)Cc1n[nH]c2c1CCC2 244899979 ZTTWTOQITILUBX-LLVKDONJSA-N 290.411 1.778 0 50 CDAA CCNC(=O)[C@H]1CCN(CC(=O)Nc2ccc(F)cc2)C1 244701259 KCZODDMQXZIOCC-NSHDSACASA-N 293.342 1.222 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(C[C@H]2CCCO2)[C@H]1c1cccnc1 601014398 JWVWQWRZYIIUSY-BZPMIXESSA-N 290.319 1.235 0 50 CDAA CN(C(=O)c1cc(C2CC2)[nH]c1C1CC1)[C@H]1CCNC1=O 626289845 OMQVSRFLVLXSND-ZDUSSCGKSA-N 287.363 1.730 0 50 CDAA CCn1ncc(C(=O)N(C)[C@@H]2CCNC2)c1C(F)(F)F 299739544 PWXHJOZRZBAEQN-MRVPVSSYSA-N 290.289 1.356 0 50 CDAA C[C@@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)C=CC(=O)O1 254077098 KQNZDYYTLMIZCT-QMIVOQANSA-N 280.364 1.962 0 50 CDAA O=C(CCC(F)(F)F)N1C[C@@H]2CC[C@H]1CNC2 534578926 SIMRBYOBNTWWSG-BDAKNGLRSA-N 250.264 1.539 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]1CNC[C@H]21 536947993 SASHMSTVVLHSHB-WYUUTHIRSA-N 252.358 1.851 0 50 CDAA CCc1nc(CN2CCC[C@](CC)(C(=O)O)C2)n[nH]1 534584205 IDGJEJHJNNHBSN-ZDUSSCGKSA-N 266.345 1.444 0 50 CDAA c1coc(CN2CCC(NCCc3ncc[nH]3)CC2)c1 534586252 BQKZKMSJLALZLQ-UHFFFAOYSA-N 274.368 1.799 0 50 CDAA Cc1nccn1CCNC(=O)Cc1n[nH]c2ccccc12 264997841 KYIKIZPJLCJASP-UHFFFAOYSA-N 283.335 1.427 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1cccn2cnnc12 299758253 QHLUNDGUOUBJGL-SNVBAGLBSA-N 299.338 1.393 0 50 CDAA CCC1(CC)CN([C@H](C)CS(C)(=O)=O)CCO1 822679067 BDXWLXDKLYKQTG-LLVKDONJSA-N 263.403 1.311 0 50 CDAA Cc1nc(O)c(Cl)c(N[C@H](C)CN2CCOCC2)n1 584890686 OBTBLMSEUNBTAV-MRVPVSSYSA-N 286.763 1.277 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)c1cccc(N)n1 584900707 ITZFOZPYEFDRJH-VIFPVBQESA-N 274.328 1.156 0 50 CDAA CC1(C)C(CNc2cc3nncn3c(=N)[nH]2)C1(C)C 584885752 MDEMRPMGJRKVMG-UHFFFAOYSA-N 260.345 1.631 0 50 CDAA O=C1CN(C(=O)C2CC=CC2)CCN1CCc1ccccc1 584893704 GRRLOEOTYHBDPM-UHFFFAOYSA-N 298.386 1.866 0 50 CDAA CN(Cc1nncn1C)[C@@H]1CCN(c2ccc(F)cc2)C1 670437993 ZZBJKLFDIXRXQP-CQSZACIVSA-N 289.358 1.665 0 50 CDAA Cc1cc(C)nc(CN(C)CCn2cnnc2C)c1 670462979 AXRLZUKZALGZSM-UHFFFAOYSA-N 259.357 1.730 0 50 CDAA CC(C)[C@H](CO)Nc1cc(N2CCCCC2)ncn1 65399267 IVLXWRNHVRFDNA-LBPRGKRZSA-N 264.373 1.896 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)N2[C@@H](C)CC2(C)C)C1 685945223 CWQYPUICXXNHGW-QWRGUYRKSA-N 260.403 1.836 0 50 CDAA COCC1(N(C)Cc2nc(C(=O)O)cs2)CCC1 872171078 MLUAVEFFCKYAPL-UHFFFAOYSA-N 270.354 1.842 0 50 CDAA Cc1cc(C)nc(NC(=O)NC2(CO)CC(F)(F)C2)c1 1875369785 HKYXRIBBEOTUGI-UHFFFAOYSA-N 285.294 1.980 0 50 CDAA O=C1N[C@@H](C(=O)NC2C3(CC3)C23CC3)C2(CCC2)O1 1875323427 ILDHELWELUSEPL-QMMMGPOBSA-N 262.309 1.076 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)N2CC[C@H](OC)C2)C1 1875297719 BIQQAEFEPNYXPM-OLZOCXBDSA-N 269.389 1.243 0 50 CDAA CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1c1nc(=N)[nH]c(=N)[nH]1 1875268497 BVBJMLUZPAAXGS-OLZOCXBDSA-N 298.394 1.778 0 50 CDAA CC1([C@@H]2NC(=O)[C@@H](c3ccsc3)NC2=O)CC1 1875278834 KVXCFDSXHLSBNU-RKDXNWHRSA-N 250.323 1.204 0 50 CDAA COC1(COC(=O)[C@H]2CC(=O)CC23CCC3)CC1 1875293110 CKRRKIUHZFZZFH-LLVKDONJSA-N 252.310 1.858 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NS(=O)(=O)c1ccc(Cl)c(N)c1 1875290946 JMUSLQUWSZGXLJ-HTRCEHHLSA-N 288.756 1.383 0 50 CDAA Cc1nc([C@H](C)S(=O)(=O)Cc2ccccc2F)n[nH]1 1875279286 LMKKEODYQBFSJN-QMMMGPOBSA-N 283.328 1.928 0 50 CDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 952979143 RDOQFKWHZSFGFE-LLVKDONJSA-N 282.365 1.326 0 50 CDAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1CCOC1 952872006 GRLRNFYVGYHJSD-JTQLQIEISA-N 288.307 1.251 0 50 CDAA Cc1nc(O)cc(N2CCN(c3ccccc3O)CC2)n1 891423244 KNPGRZRMVFBARP-UHFFFAOYSA-N 286.335 1.523 0 50 CDAA C=CC(=O)Nc1cc(N2CCC(OC)CC2)ncn1 1775997132 ALIZIPPKWLLFKS-UHFFFAOYSA-N 262.313 1.216 0 50 CDAA O=C(N[C@@H]1CNCC[C@@H]1O)c1[nH]c2ccccc2c1Cl 1565516993 PWDROBGDMKOQFL-MNOVXSKESA-N 293.754 1.274 0 50 CDAA CN1CCC(O)(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 80891150 BKYRGVRSCMYZEU-CABCVRRESA-N 288.391 1.363 0 50 CDAA NC(=O)[C@H]1CN(C(=O)CC2CCCCCC2)CCO1 170653966 FPITUVRGRJMWLR-GFCCVEGCSA-N 268.357 1.060 0 50 CDAA CNC(=O)c1ccc(N(C)Cc2ccc(O)cc2)nn1 170604955 DKXBXIZJXFFPJM-UHFFFAOYSA-N 272.308 1.178 0 50 CDAA CC1(CNC[C@H](c2cccs2)N2CCOCC2)COC1 170641714 ZMONCCVIOVQALW-CYBMUJFWSA-N 296.436 1.748 0 50 CDAA CS(=O)(=O)[C@@H]1CCCCN(C[C@@H](O)c2ccccc2)C1 279281251 KDFBODSHKPRPSX-HUUCEWRRSA-N 297.420 1.619 0 50 CDAA CN(C)c1ccc([C@@H]2CCCN2Cc2cnc[nH]2)nn1 643731247 MMRRTYXIXSXPPY-ZDUSSCGKSA-N 272.356 1.603 0 50 CDAA Cc1nscc1C(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 192487768 KKCCDKQEHHMYRW-AOOOYVTPSA-N 251.355 1.085 0 50 CDAA COc1ccc(NC(N)=O)c(I)c1 192432959 NJVSXCHFGFKXIL-UHFFFAOYSA-N 292.076 1.790 0 50 CDAA CCC[C@@]1(COC)CCCN1C(=O)c1ccnn1C 192750109 HNDFELYXXOZBFL-AWEZNQCLSA-N 265.357 1.841 0 50 CDAA C[C@@H](CNC(=O)c1ccc(Cl)cn1)N1CCCCC1=O 194272743 ISKDMQYBALMCSM-JTQLQIEISA-N 295.770 1.866 0 50 CDAA CCc1ccnc(C(=O)NC2(CC(=O)O)CCOCC2)c1 663122636 MDCCPEWHYOKQGZ-UHFFFAOYSA-N 292.335 1.398 0 50 CDAA COc1ncccc1C(=O)N1CCC2(CCN2)CC1 579971690 MNJPGYXOSFSZTO-UHFFFAOYSA-N 261.325 1.058 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@@H](C1CCCC1)C(F)(F)F 249655333 ZHVLDNXMOVTBPP-HLTSFMKQSA-N 279.258 1.944 0 50 CDAA CC[C@H](NC(=O)CCc1cn[nH]c1)c1ncc(C)[nH]1 1506398611 UILCQZXFYQOGDP-NSHDSACASA-N 261.329 1.641 0 50 CDAA CC(C)CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529179085 UZKVZDVCZYVADN-ZIAGYGMSSA-N 262.353 1.801 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]2O)on1 1529109504 BLPPSYBABNWABO-YPMHNXCESA-N 292.360 1.720 0 50 CDAA CNC(=O)[C@H]1CN(c2ncc(Cl)cc2Cl)CCO1 225823366 YCROBIZJXLLYEZ-SECBINFHSA-N 290.150 1.340 0 50 CDAA c1ccc(CN2CCN(CC[C@@H]3COCCO3)CC2)cc1 1775979232 JMXWXCCBTCRCFP-QGZVFWFLSA-N 290.407 1.610 0 50 CDAA CCN(C(=O)NCc1ncn(C)n1)C1CC(C)(C)C1 333979328 BATOSNVTYQRSHH-UHFFFAOYSA-N 265.361 1.535 0 50 CDAA CC(C)Cn1ccnc1CNC(=O)c1ccncc1 131076044 BUIKHUKMHVPBBL-UHFFFAOYSA-N 258.325 1.864 0 50 CDAA COc1cccc(OCCN2CCCC[C@H]2CO)c1 132246906 FCYUGUGFVVSBDC-ZDUSSCGKSA-N 265.353 1.921 0 50 CDAA N[C@@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 132630528 RRBIPCCUJKVANR-YPMHNXCESA-N 262.378 1.577 0 50 CDAA Cc1ncc(CN(CCO)Cc2cccc3nonc23)[nH]1 1704308372 PDZLAENQEBHRJY-UHFFFAOYSA-N 287.323 1.249 0 50 CDAA CCCc1cnc(N[C@H]2CC=CC[C@@H]2C(N)=O)nc1 1616135694 GNHPEJKLQJYOKM-RYUDHWBXSA-N 260.341 1.661 0 50 CDAA N[C@H]1CN(C(=O)c2cccc3c2CCNC3)CC12CCC2 1615552990 FRNHSVMMIASRMN-HNNXBMFYSA-N 285.391 1.286 0 50 CDAA CC(C)(C)N1CC[C@H]1CNC(=O)NCc1cnccn1 1615616180 JILKFYAAYSYHTI-LBPRGKRZSA-N 277.372 1.149 0 50 CDAA C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc(C=O)cc1 1615605827 NPSWYHATORZMSZ-JTQLQIEISA-N 267.350 1.918 0 50 CDAA O=Cn1ccc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4N3)cc21 1615610487 JBZIUVAYCYELQU-RTXFEEFZSA-N 269.304 1.369 0 50 CDAA CC1(C)CCc2nc(NC(=O)[C@@H]3CNC(=O)O3)sc2C1 1615621189 KOGGMSRDNZXJDG-QMMMGPOBSA-N 295.364 1.705 0 50 CDAA C[C@H](c1cccnc1)N(C)S(=O)(=O)N1CCCC1 264226517 XCTSPTUPZKZZDA-LLVKDONJSA-N 269.370 1.415 0 50 CDAA CCCCN1CCC(CNc2nnc(CN)o2)CC1 1772709342 FVVORXBHIOSSDH-UHFFFAOYSA-N 267.377 1.452 0 50 CDAA O=C(NC[C@H]1CCCO1)c1cn(C2CCCCC2)nn1 12200801 DXVZGVUAGWLXBD-GFCCVEGCSA-N 278.356 1.692 0 50 CDAA O=C(c1cn[nH]c1)N1CCO[C@@H](Cc2cccc(F)c2)C1 12315101 YJPZSEWEDNUZQP-AWEZNQCLSA-N 289.310 1.633 0 50 CDAA CC(C)N1C[C@@H](COc2ccc(CC(N)=O)cc2)OC1=O 12382461 ICKWLCLFLWVPPA-ZDUSSCGKSA-N 292.335 1.322 0 50 CDAA Cc1cccc(C)c1OCc1nnc(S)n1N 13111427 HNKHNHDGPWCQSO-UHFFFAOYSA-N 250.327 1.476 0 50 CDAA COc1ccc(OCCSc2n[nH]c(N)n2)cc1 13113122 JTWZFFCUAWGQAU-UHFFFAOYSA-N 266.326 1.567 0 50 CDAA COc1ccc(CN2CCN(C(C)=O)CC2)c(C)c1C 19635100 INRGCHAWRRJHCR-UHFFFAOYSA-N 276.380 1.976 0 50 CDAA COc1cc(OC)c(OC)cc1CN1CCNCC1 19735173 SXEQVYYQWYPXLG-UHFFFAOYSA-N 266.341 1.118 0 50 CDAA in-vitro O=C(NCCc1ccc(F)cc1)[C@H]1CCc2ncnn2C1 1857701668 SWWXMMNOUIBRRD-LBPRGKRZSA-N 288.326 1.339 0 50 CDAA Cc1ccc2ncnc(N[C@H](C(N)=O)c3ccccc3)c2n1 1857711333 UJBGYUDGBWAURN-ZDUSSCGKSA-N 293.330 1.972 0 50 CDAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ncc(C2CC2)o1 408044513 VHRLGTBMEGOYKB-HZSPNIEDSA-N 292.379 1.914 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cnn(C)c1 328655576 YMGCOPSEESCANS-STQMWFEESA-N 275.356 1.256 0 50 CDAA Cc1cc(N2CCC[C@H](NC(=O)N3CC(F)C3)C2)n(C)n1 333752455 TXDLXBBPPJXYRR-LBPRGKRZSA-N 295.362 1.061 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)O)C[C@H]2C1 12506794 QGUILIYSENMTGT-UWVGGRQHSA-N 255.314 1.964 0 50 CDAA in-vitro Cc1cc2c(cc1C)O[C@H](C(=O)N1CCn3nccc31)C2 367499281 AMBMJPCXCBDBAP-AWEZNQCLSA-N 283.331 1.850 0 50 CDAA O=C(c1cnc(-c2ccccc2)nc1)N1C[C@@H](O)C2(CC2)C1 375290214 XBHSBERDCJLGIN-CQSZACIVSA-N 295.342 1.741 0 50 CDAA CC1(N)CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1650182342 IAVJGNJWYJAHJF-ZIAGYGMSSA-N 288.395 1.134 0 50 CDAA CCCN1CCCN(c2ncc3c(n2)CCCC3)CC1=O 840292959 TZURGLHRCRKDOU-UHFFFAOYSA-N 288.395 1.804 0 50 CDAA O=C1NCCN(CCO[C@@H]2CCOC2)c2ccccc21 930173002 HWSJEFLEMSIZNE-GFCCVEGCSA-N 276.336 1.042 0 50 CDAA COc1ccc2c(c1)N(C(=O)[C@@H]1OCCO[C@@H]1C)CCO2 933735463 MBAJETYVXHMNDV-QMTHXVAHSA-N 293.319 1.225 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C)c1ccc(C)cc1 858338594 HZWWPMOCAXJGBC-GFCCVEGCSA-N 260.337 1.817 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCn2cccc2[C@H]1C 858326165 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2325793139 HGPQICWWOHQJRK-UHFFFAOYSA-N 259.309 1.260 0 50 CDAA O=C(CCC(=O)N1CC2(C1)N=N2)c1ccc(O)cc1 2325798850 DVOJZGHICGQPKR-UHFFFAOYSA-N 259.265 1.359 0 50 CDAA CN(Cc1c(F)cccc1F)C(=O)c1cc(CN)[nH]n1 2325851645 FQOXRSVIHYZKIU-UHFFFAOYSA-N 280.278 1.419 0 50 CDAA CCOC(=O)n1nc(N)c2c1CN(C(=O)OC(C)(C)C)C2 2966 VUWAGENLXQIUJY-UHFFFAOYSA-N 296.327 1.721 0 50 CDAA BrC1(Br)[C@H]2COCOC[C@@H]21 270492 NQYZHRVVKWUUBC-WHFBIAKZSA-N 271.936 1.723 0 50 CDAA Cc1ncc(CSc2nnnn2-c2ccccc2)c(N)n1 1064259 QQHXLENGEQTZST-UHFFFAOYSA-N 299.363 1.635 0 50 CDAA CCCCNC(=O)N1CCN(c2ccccn2)CC1 2380351 NFTGOFKIERTOHA-UHFFFAOYSA-N 262.357 1.713 0 50 CDAA CCCN(CCC)C[P@](=O)(O)CCC(=O)O 2831396 BMYOQIHAEVXJLN-UHFFFAOYSA-N 251.263 1.811 0 50 CDAA CCCCNC(=O)C(=O)NCc1ccc(OC)cc1 2993323 MYRMGNWTBGPSSX-UHFFFAOYSA-N 264.325 1.228 0 50 CDAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cnco3)C1)CC2 2356160508 VQFVYDCLTCNKCH-MRXNPFEDSA-N 298.346 1.893 0 50 CDAA O=C(N[C@@H]1CCS(=O)(=O)C1)OC1CCCCC1 4064244 WLFUGUVCTRHFEO-SECBINFHSA-N 261.343 1.232 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296.334 1.672 0 50 CDAA COC(=O)CC1(NC(=O)c2cc(C)sn2)CC1 568005209 JCPZVOKPVGRSBJ-UHFFFAOYSA-N 254.311 1.277 0 50 CDAA Cc1nnc(CN2CCN(c3ncns3)CC2)s1 660707419 OKTYTSVZRQPXOM-UHFFFAOYSA-N 282.398 1.020 0 50 CDAA O=C1CCCN1CCN1CCCN(C2CCCCC2)CC1 1506422954 SVLZSMFKQIZBCO-UHFFFAOYSA-N 293.455 1.949 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)CC3CCCC3)C[C@H]2O)n[nH]1 1529185131 KKYQOQPAQZEYEO-UKRRQHHQSA-N 291.395 1.660 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(Cc1cnc(N)nc1)C2 1704340321 GBZMGDPLVOFYMN-HIFRSBDPSA-N 276.384 1.840 0 50 CDAA COc1ccc(O)cc1CN1C[C@@H]2COC[C@H](C1)N(C)C2 1704314512 UILNARUUFHHOMV-OCCSQVGLSA-N 292.379 1.163 0 50 CDAA Cc1nnc(C(=O)NCC2(CO)CC3(CCC3)C2)s1 330335260 RKWWUHXRPFLQOJ-UHFFFAOYSA-N 281.381 1.519 0 50 CDAA O=C(O)[C@H](c1ccc(F)cc1)N1CCS(=O)CC1 572048233 IVHXLDWKOSUUDT-NSHDSACASA-N 271.313 1.016 0 50 CDAA Cc1cc(O)nc(C(=O)NCC2(c3ccncc3)CC2)c1 1615565941 MNGRZJCMIAVFJM-UHFFFAOYSA-N 283.331 1.952 0 50 CDAA c1ccc(CN2CCN(Cc3ccncc3)CC2)nc1 19913677 UKMXQGWMHRBLTH-UHFFFAOYSA-N 268.364 1.794 0 50 CDAA COC[C@]1(C(=O)O)CCN(C(=O)C2CCCC2)C1 385732570 OUNSQIJEDICJJT-ZDUSSCGKSA-N 255.314 1.126 0 50 CDAA C=CNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 1772492759 YMCRGQYFMAHJRC-FZMZJTMJSA-N 286.287 1.106 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)CN1CCCCCC1 1772710147 MIQNKFSOWFQOMP-ZIAGYGMSSA-N 293.411 1.084 0 50 CDAA CN1CCC2(CC1)CN(C(=O)CC1=CCCC1)CCO2 1772817390 NXUGUTOOLNOMOI-UHFFFAOYSA-N 278.396 1.810 0 50 CDAA Cc1ccc(NC(=O)N2C[C@H]3CNC[C@@]3(CO)C2)cc1 1772711024 VVYLQHTXASLBOH-DOMZBBRYSA-N 275.352 1.041 0 50 CDAA Cc1c(Nc2ncncc2Br)cnn1CCO 1857530377 DTGWWSHOJDJUFT-UHFFFAOYSA-N 298.144 1.480 0 50 CDAA N=c1[nH]c(C(=O)N2CCC(C3CCNCC3)CC2)cs1 1857668154 HKZSFOSYFPCMJH-UHFFFAOYSA-N 294.424 1.407 0 50 CDAA Cc1nc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)nc2c1CCC2 1857686337 RLSMRMPDLCHUMV-ZSBIGDGJSA-N 259.353 1.481 0 50 CDAA CC(C)=CCN1CCC2(CC1)CN(C)C(=O)CCO2 1857739599 XBQKGJLAASZYGT-UHFFFAOYSA-N 266.385 1.666 0 50 CDAA CC(C)(C)CN1CCC[C@@](O)(CNCC2CC2)C1=O 12582871 QDSMVWJWXKIYDF-OAHLLOKOSA-N 268.401 1.386 0 50 CDAA COc1ccc(OC)c(/C=C2/SC(=N)NC2=O)c1 13426690 XUWPEHSJCOZCKU-UXBLZVDNSA-N 264.306 1.842 0 50 CDAA Cc1cc(C(=O)N2CCCC2)ccc1NS(C)(=O)=O 13679769 HTRFVAXTCWZLKT-UHFFFAOYSA-N 282.365 1.603 0 50 CDAA O=C(NCCN1CCOCC1)c1ccc(F)c(F)c1 16651272 PFYPBZRBZAWMOV-UHFFFAOYSA-N 270.279 1.027 0 50 CDAA C[C@@H](NC(=O)CN(C)Cc1ccncc1)C(F)(F)F 19226361 CSKFNXBSUQAGHO-SECBINFHSA-N 275.274 1.580 0 50 CDAA C[C@H]1CN2C[C@H](N=c3[nH]c4ccccc4s3)C[C@H]2CO1 1857733995 JFTOWWBJBMWRFG-TUAOUCFPSA-N 289.404 1.992 0 50 CDAA Cc1nccc(NC(=O)N[C@@H](C)C2CCOCC2)n1 408225088 RYMGCAIEQKEWHZ-VIFPVBQESA-N 264.329 1.722 0 50 CDAA C[C@@](CO)(NC(=O)c1ccc(Cn2ccnc2)cc1)C1CC1 225485274 XTHHXAJZQMFNGV-KRWDZBQOSA-N 299.374 1.822 0 50 CDAA C[C@H]1CN(C(=O)c2cc(F)cc3nccnc23)C[C@H](C)N1 153594700 MNCQXMDLBMQFDV-UWVGGRQHSA-N 288.326 1.591 0 50 CDAA Cc1cc(C(=O)N2CCN(CCCF)CC2)ns1 585123805 UBDBMVNXEVHUJW-UHFFFAOYSA-N 271.361 1.569 0 50 CDAA Cc1nc(CNC(=O)[C@H]2CCCOC2)nc2ccccc12 589913172 DHUXWRNPHZKUFD-LBPRGKRZSA-N 285.347 1.981 0 50 CDAA Cc1cccc(C(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)n1 388757067 BXWIEIQOBYQGGN-KOLCDFICSA-N 262.309 1.573 0 50 CDAA COC(C)(C)CNCCn1cc(Br)cn1 393890004 KBPWOKLTELMNGD-UHFFFAOYSA-N 276.178 1.660 0 50 CDAA CC(C)(/C=C/Cl)NC(=O)c1cccn(CC(=O)O)c1=O 902867624 DQEUKIVRXXLLJR-AATRIKPKSA-N 298.726 1.194 0 50 CDAA Cn1ncnc1C(=O)NCC1(c2cccc(F)c2)CCC1 902970087 MLHXPCSUVVWEQG-UHFFFAOYSA-N 288.326 1.806 0 50 CDAA Cc1cc2ncn(CC(=O)N3CCOCC3)c2cc1C 49527 YQJBVHISRWGFRT-UHFFFAOYSA-N 273.336 1.512 0 50 CDAA CNc1nc(C)cc(C(=O)N2CCC[C@H](CO)CC2)n1 294367196 BSZCTNWHVFOEAU-NSHDSACASA-N 278.356 1.061 0 50 CDAA CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCCn1ccnc1 182186701 OBCNOPLDROSTLS-QWHCGFSZSA-N 285.413 1.219 0 50 CDAA CC(=O)O[C@H]1CSC[C@H]1NC(=O)c1ccccc1 323685 LXWGFYRUAGBBNK-NEPJUHHUSA-N 265.334 1.464 0 50 CDAA biogenic CCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1 568642 YHEBEHYUWVZBRS-UHFFFAOYSA-N 277.255 1.978 0 50 CDAA CCC[C@@]1(CO)CN(Cc2cnn(CC)c2)CC[C@@H]1O 2100484018 ZHCRXZAWSXZVMD-GJZGRUSLSA-N 281.400 1.248 0 50 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252.705 1.242 0 50 CDAA O=S1(=O)CCC[C@H](Cc2nc(-c3ccon3)no2)C1 328862276 ZQMIHEMROCUNDY-MRVPVSSYSA-N 283.309 1.092 0 50 CDAA Cc1cccc(C(=O)NC(=O)Nn2c(C)nnc2C)c1 1425151 VAUXMFYHFQVFGP-UHFFFAOYSA-N 273.296 1.297 0 50 CDAA O=S(=O)(NCc1nc(C2CC2)n[nH]1)c1cccs1 65405468 QDSFMWGCPXGRTC-UHFFFAOYSA-N 284.366 1.222 0 50 CDAA CC(C)N1C[C@@H](N2C(=O)C3(CCCC3)N=C2O)CC1=O 329478397 OQTQIFAFWSXXCV-JTQLQIEISA-N 279.340 1.065 0 50 CDAA O[C@@H]1COCCN(Cc2ccc(-c3cc[nH]n3)s2)C1 77379689 HXFUZYZAXKJWSY-JTQLQIEISA-N 279.365 1.331 0 50 CDAA CN(C)c1nc(=NCc2cnc([C@@H]3CCCO3)s2)[nH][nH]1 330136586 UHCKBJXWPAHDJT-VIFPVBQESA-N 294.384 1.213 0 50 CDAA COC[C@@H]1CN(Cc2nc(C(C)C)no2)CC(C)(C)O1 330534206 OOAVKNCZCAYHAX-NSHDSACASA-N 283.372 1.819 0 50 CDAA Cc1ccc(CN(CCO)C(=O)C2(O)CCCC2)o1 331066656 GCJFJZRDHJQTBT-UHFFFAOYSA-N 267.325 1.214 0 50 CDAA COc1cc(N2CCC[C@H](c3ncc[nH]3)C2)ncn1 77297729 SCEAMVIZMAGELT-JTQLQIEISA-N 259.313 1.592 0 50 CDAA CO[C@H]1CN(C(=O)c2cnc(C(C)C)nc2C)CC[C@H]1N 71763890 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Cc1nnc(N2CCC(O)(c3ccccc3)CC2)o1 286736484 FZLCEGDHIANXNV-UHFFFAOYSA-N 259.309 1.866 0 50 CDAA C[C@@H](C(=O)NC1(CC(=O)O)CCCCC1)N1CCCC1=O 426430631 FYYRLAUEEPPAFU-NSHDSACASA-N 296.367 1.291 0 50 CDAA Cc1cc(CCNC(=O)c2cc(O)n(C)n2)cc(C)c1O 613861795 PRASMHWBXGHFRE-UHFFFAOYSA-N 289.335 1.421 0 50 CDAA CCOCCCNC(=O)N1CCC[C@H](Cn2ccnc2)C1 426589862 YODGJMHNGWMGQK-CQSZACIVSA-N 294.399 1.731 0 50 CDAA CN1CCc2ncnc(N(C)C[C@H]3CCCCO3)c2C1 222192790 IYEAIERLWNIOOR-GFCCVEGCSA-N 276.384 1.470 0 50 CDAA O=C(NCC12CCCN1CCC2)c1cc(C2CC2)no1 614224565 WRGVIQXZDQWDPO-UHFFFAOYSA-N 275.352 1.910 0 50 CDAA CCn1ccnc1CN(C)C(=O)Cn1nccc1C 220234079 CEISKHJAXVCULC-UHFFFAOYSA-N 261.329 1.067 0 50 CDAA CCc1nc(C)c(C(=O)NC2CCN(CC)CC2)o1 292753238 NSKLRRWGAQSILP-UHFFFAOYSA-N 265.357 1.760 0 50 CDAA Cc1nccc(N2CC[C@H](N(C)C)[C@H](CCCO)C2)n1 95376225 ZSNLPCCIBRKNNT-KGLIPLIRSA-N 278.400 1.314 0 50 CDAA COC[C@H](Nc1nc(N)nc(C)c1C)c1ccnn1C 91390975 SRRMJLJIOLXCLJ-JTQLQIEISA-N 276.344 1.209 0 50 CDAA CCOCCC(=O)N1CC[C@@H](Cc2cccc(CO)c2)C1 95384561 SIJYWUWHNHAATH-HNNXBMFYSA-N 291.391 1.997 0 50 CDAA CC(C)[C@@H](NC(=O)CCC(=O)O)c1cccnc1 426471294 BSWLYXUCYRRUDA-CYBMUJFWSA-N 250.298 1.760 0 50 CDAA O=C(O)C(F)(F)[C@@]12O[C@H]3[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42 239309707 HTTSLVFOIBKDFR-GJHZVWMMSA-N 254.232 1.232 0 50 CDAA COCCOC(=O)NC[C@@H]1COc2ccccc2C1 91547196 CESUHVASPCQXIA-LLVKDONJSA-N 265.309 1.610 0 50 CDAA CC(C)(C)n1ncnc1CN1CCCC[C@H]1c1nnc[nH]1 294195243 GPNKSRKDSDIYPC-NSHDSACASA-N 289.387 1.878 0 50 CDAA O=C(NCCSc1ccccn1)[C@@H]1CCCCO1 97757988 QGIUUVYLMJVQHQ-NSHDSACASA-N 266.366 1.859 0 50 CDAA COCCC[C@@]1(C(=O)O)CCCN(Cc2nnc(C)o2)C1 91877277 MSHBKQIOLRERDC-AWEZNQCLSA-N 297.355 1.471 0 50 CDAA CCN1CCCC[C@@H]1C(=O)NCCc1ccco1 97766677 WUJYVXNXPCXHNO-CYBMUJFWSA-N 250.342 1.813 0 50 CDAA Cn1ccnc1C1CCN(C(=O)[C@@H]2CCCCO2)CC1 97217685 FGZICHHAEPXWTC-ZDUSSCGKSA-N 277.368 1.695 0 50 CDAA C[C@H](N)C(=O)/N=c1\ccccn1Cc1ccccc1 181375217 PFGUOSHDRNFKJJ-KNEMVRMJSA-N 255.321 1.311 0 50 CDAA CSc1cccc(N2CCN(CCO)CC2)c1 96026855 UWUNSHMINJHCCR-UHFFFAOYSA-N 252.383 1.523 0 50 CDAA COCCc1noc(CCc2c(C)nn(C)c2C)n1 96149856 JWNXOZFAHMPEIB-UHFFFAOYSA-N 264.329 1.394 0 50 CDAA Cc1ccsc1CN(CCO)CCN1CCCC1=O 244852839 UZUHKSIIRXZGSS-UHFFFAOYSA-N 282.409 1.473 0 50 CDAA CCC1=NO[C@@H](CN2CCCN(c3ncccn3)CC2)C1 244858579 VNRSIQASXIYODQ-CQSZACIVSA-N 289.383 1.544 0 50 CDAA Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 248509419 YXHNMOXVHUEAAF-RVMXOQNASA-N 291.351 1.714 0 50 CDAA Cc1cc2n(n1)CCN(Cc1noc([C@H]3CCCO3)n1)C2 244773695 PETSPOHCQWPYOI-GFCCVEGCSA-N 289.339 1.442 0 50 CDAA Nc1nc(NCC2(O)CCCCC2)cc([C@H]2C[C@@H](O)C2)n1 252570435 WTFYSRMDHPMCHK-PHIMTYICSA-N 292.383 1.404 0 50 CDAA COC(=O)C1=CC=CCCOC/C(O)=C\1C(=O)OC 257345503 XFMDRWGPCBSVAP-MECQQMDCSA-N 268.265 1.047 0 50 CDAA COC(=O)C1=C(C(=O)OC)[C@H]2C[C@H]1[C@]13O[C@@]21[C@H]1CC[C@H]3C1 257358531 UZHVKNCUSOBTKI-IXWAKECOSA-N 290.315 1.216 0 50 CDAA CC1(C)CC(CC(=O)NCC2(CO)CC2)CC(C)(C)N1 534644128 KERIADUCQSMUBM-UHFFFAOYSA-N 282.428 1.822 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)c1cc(CO)ccn1 299758840 QSPCCEYWCKBEBN-JTQLQIEISA-N 289.339 1.066 0 50 CDAA CCn1nc(C)c(C(=O)NCCSc2ncn[nH]2)c1C 299770852 NGBAMVQARWAQBF-UHFFFAOYSA-N 294.384 1.160 0 50 CDAA Cc1nccn1C[C@H](C)N1CCCN(C(C)C)CC1 821751095 FVOCEUJMMVOGSE-AWEZNQCLSA-N 264.417 1.996 0 50 CDAA CCOc1ncccc1C(=O)NCCSc1nc[nH]n1 823405579 GOWYNDSAAKFWMR-UHFFFAOYSA-N 293.352 1.121 0 50 CDAA CN(CC1(CO)CCC1)C(=O)Cc1ccc(CO)cc1 584894029 AEKXTLMNRRDQHB-UHFFFAOYSA-N 277.364 1.342 0 50 CDAA O=C(NCCCC[C@@H]1CCCO1)c1cncc(O)c1 584888791 NXHHWKDKBNMJHO-CYBMUJFWSA-N 264.325 1.866 0 50 CDAA O=C(CCCN1CCCC1)N1CCC[C@H](O)CC1 584894599 XDOAFROVEDRZAH-ZDUSSCGKSA-N 254.374 1.236 0 50 CDAA CN1CC[C@@H](N(C)C(=O)NCc2csc(N(C)C)n2)C1 670456077 BAVIFSRLHHNUJA-LLVKDONJSA-N 297.428 1.055 0 50 CDAA Cc1nc2cc(CNC(=O)C3(CO)CC3)ccc2n1C 670445282 LMAJNERFTZJSTI-UHFFFAOYSA-N 273.336 1.270 0 50 CDAA Fc1cnc(NC2CCN(C[C@@H]3CCOC3)CC2)nc1 269442863 BUKUHADYYZMYQJ-NSHDSACASA-N 280.347 1.529 0 50 CDAA CCC(=O)N[C@@H]1C[C@@H](C(=O)O)C[C@@H]1n1cc(C2CC2)nn1 685942188 GQGCOMDGJXWYIJ-FOGDFJRCSA-N 292.339 1.086 0 50 CDAA COCc1ncsc1C(=O)N1CC(c2nc(C)no2)C1 1875255815 YBFASCYNSVBSIK-UHFFFAOYSA-N 294.336 1.221 0 50 CDAA COC(C)(C)c1nc(=NCc2n[nH]cc2C)s[nH]1 1875287986 IVNNBJOVMGXPMN-UHFFFAOYSA-N 267.358 1.485 0 50 CDAA Cc1cc(N2C(=O)N[C@]3(CC[C@H]4C[C@H]43)C2=O)sn1 1875291105 NTDLYPITVKNDLD-SXMVTHIZSA-N 263.322 1.676 0 50 CDAA Cc1ocnc1CNCc1cnc(N2CCCC2)nc1 1875284675 GPQVJCRUXRBNDE-UHFFFAOYSA-N 273.340 1.663 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]3C[C@@H](O)CC[C@H]32)on1 1875307284 MLVSVWONFVKGTQ-GRYCIOLGSA-N 264.325 1.749 0 50 CDAA COC1([C@H](N)C(=O)NC[C@@H](N)c2ccccc2)CCCC1 1875319555 HQURIJMXBCMZKM-ZIAGYGMSSA-N 291.395 1.089 0 50 CDAA Cc1cc(C)nc(N2CC[C@H](c3cnccn3)C2)n1 1307215301 GOFGKSJUIJNNEF-LBPRGKRZSA-N 255.325 1.877 0 50 CDAA Oc1n[nH]c(CNc2cc(C3CC3)nc(C3CC3)n2)n1 892874925 RSEDIGOWDPSCJJ-UHFFFAOYSA-N 272.312 1.667 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)c1ccc3[nH]ccc3n1)C2 1775961388 XJZDIKQQCABODS-XPTSAGLGSA-N 256.309 1.126 0 50 CDAA Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1F 17841397 SVPDVNWPXPPFEC-UHFFFAOYSA-N 293.323 1.948 0 50 CDAA OC1CCN(c2cccc(Br)n2)CC1 38537577 CCWYAJBKVIUXOG-UHFFFAOYSA-N 257.131 1.805 0 50 CDAA in-vitro CC(F)(F)CN1CCN(CCCC(=O)O)CC1 1573551402 UPTJQPDADDFTFQ-UHFFFAOYSA-N 250.289 1.124 0 50 CDAA CN(CCc1cnccn1)C(=O)N[C@@H]1CC=CCC1 271564958 OXKBLVXDIUJYLD-GFCCVEGCSA-N 260.341 1.769 0 50 CDAA CC(C)(C)OC(=O)NCCCCCN1CC[C@H](C(N)=O)C1 583651345 LFWQHWHANVRHHV-LBPRGKRZSA-N 299.415 1.489 0 50 CDAA CC(=O)N[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1 583619760 DDNMCRCYYKVNBU-ZFWWWQNUSA-N 271.320 1.838 0 50 CDAA COC(=O)[C@H](CC(C)C)N(C)C(=O)c1ccn(C)n1 585086819 UWYJSGHBGODJHM-NSHDSACASA-N 267.329 1.080 0 50 CDAA C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CN(C)CCN1C 585125863 HOLGHOALDMQNTA-RFBLXINOSA-N 293.455 1.563 0 50 CDAA CCc1ccccc1NC(=O)CONC(=O)N(C)C 585122970 LUOOQXBVLQDBAB-UHFFFAOYSA-N 265.313 1.390 0 50 CDAA O=C(NC[C@@H]1CCNC1)c1c(F)c(F)cc(F)c1F 170075225 HWCJXIYVYCZFGD-ZCFIWIBFSA-N 276.233 1.582 0 50 CDAA Oc1ccc(CN2CCC(n3cncn3)CC2)cc1 170087898 JZGDGOOEXMDSSJ-UHFFFAOYSA-N 258.325 1.821 0 50 CDAA COCC(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 408520721 UKDQONVTCZBRPU-NWDGAFQWSA-N 298.383 1.491 0 50 CDAA CCCCS(=O)(=O)NCC1(c2ccccn2)CC1 170594511 IXIDWJSHJNDMOA-UHFFFAOYSA-N 268.382 1.833 0 50 CDAA COc1ccccc1CCC(=O)OCC1OCCO1 170616644 RMEVECYZIYRVFJ-UHFFFAOYSA-N 266.293 1.544 0 50 CDAA CO[C@H]1CNC[C@@H]1NC(=O)/C(C)=C/c1ccc(F)cc1 170686252 MWTUNUVBFBPMCW-MUNSZCJHSA-N 278.327 1.332 0 50 CDAA CCS(=O)(=O)c1ccc(NCCc2ccnn2C)cc1 170604531 WJVGCFNTQGABSD-UHFFFAOYSA-N 293.392 1.868 0 50 CDAA Cc1ccc(F)c(NC(=O)[C@H]2CC[C@@H](C(=O)O)O2)c1 191159453 DBBYGCYYADOUKK-MNOVXSKESA-N 267.256 1.705 0 50 CDAA Nc1cc(CN2CC[C@@H](Oc3cccnc3)C2)ccn1 191554901 IRIRIVYEQLKCJT-CQSZACIVSA-N 270.336 1.712 0 50 CDAA Cc1nonc1NS(=O)(=O)c1cccc(F)c1C 195573197 HQJFUNRKKQWRDY-UHFFFAOYSA-N 271.273 1.626 0 50 CDAA Cn1nccc1[C@@H]1OCCC[C@H]1CNCCn1ccnc1 657288220 CIHJMZKIHQHGMX-DZGCQCFKSA-N 289.383 1.374 0 50 CDAA Cc1nc2ccccc2nc1CN1CC(N2CCNC2=O)C1 660691291 UQPHUADJNOWWMF-UHFFFAOYSA-N 297.362 1.148 0 50 CDAA OCc1cc(N2CCO[C@@H]([C@H]3CCCO3)C2)ncc1F 663709720 QWPBUELKDVKHFR-CHWSQXEVSA-N 282.315 1.097 0 50 CDAA CN(CCn1cccn1)C(=O)c1onc2c1CCCC2 668580456 PGNSDHQHNYMAKN-UHFFFAOYSA-N 274.324 1.522 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@@H]2CC2CCC2)nn1 579085527 OZMVKKVGKLAPNW-ZDUSSCGKSA-N 275.352 1.816 0 50 CDAA CN1CCC[C@]2(C(=O)O)CCN(Cc3ccncc3)C[C@@H]12 1529197429 QGMKHQFEZXDSJE-ZBFHGGJFSA-N 289.379 1.453 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)c2ncc(F)cc2F)[nH]1 1857684693 YTQHOLOMVAMOIB-SSDOTTSWSA-N 266.251 1.882 0 50 CDAA COc1cc(F)c(CN(CCO)Cc2ncc[nH]2)c(F)c1 1704309307 QMIAVQTWXIGFPJ-UHFFFAOYSA-N 297.305 1.691 0 50 CDAA COc1ccc(CN[C@H]2CCC[C@@H]2O)c(OC)c1 109554303 FRYKMYDSYUUBRI-STQMWFEESA-N 251.326 1.707 0 50 CDAA NC[C@@H](C(=O)N1CCOCC(F)(F)C1)c1ccccc1 634739902 IUFRHXZIEIHPBM-GFCCVEGCSA-N 284.306 1.223 0 50 CDAA O=C(CCN1C(=O)CCC1=O)Nc1ccc(Cl)cc1 7941037 LJCIXICRKSFBIE-UHFFFAOYSA-N 280.711 1.818 0 50 CDAA CCOc1nc(N2CCC[C@H]3CNC[C@H]32)ncc1Cl 649473739 IYALYCCGLZPZFS-GXSJLCMTSA-N 282.775 1.717 0 50 CDAA Cc1cc(NC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2O3)on1 1875332862 OJGSHNIUWANNOD-AEJSXWLSSA-N 251.286 1.672 0 50 CDAA CN(Cc1noc(C2CCC2)n1)C[C@H]1CCC(=O)N(C)C1 1775980084 SSCUQOGKVJDWOI-LLVKDONJSA-N 292.383 1.637 0 50 CDAA CN1CCCC[C@@H]1CC(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775983518 ZECMNSWEAHUMMA-XJFOESAGSA-N 266.385 1.090 0 50 CDAA Cn1ccnc1-c1nccn1-c1ccc2c(c1)nnn2C 1775984268 LYMPVNCIYQHXJX-UHFFFAOYSA-N 279.307 1.555 0 50 CDAA COc1ccc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 13576284 CCGHVAGELGVBQD-MELADBBJSA-N 295.379 1.544 0 50 CDAA Cc1cc(C(=O)NC2CCN(C(C)C)CC2)no1 16605331 ZOFXUJHALPFJLX-UHFFFAOYSA-N 251.330 1.586 0 50 CDAA COCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 16606743 SSXVORIYQOENPZ-UHFFFAOYSA-N 290.407 1.970 0 50 CDAA CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)CC1 167200017 YGQHGJMTFCIGEP-KYZUINATSA-N 263.359 1.348 0 50 CDAA Cc1c(C(=O)N2CC[C@H](N(C)C)C2)nc2ccccn12 1857695685 UIOUOWDRLLVKDY-LBPRGKRZSA-N 272.352 1.419 0 50 CDAA CCC[C@]1(CO)CCN(c2cc(C(C)=O)ccn2)C[C@H]1O 1875248087 XIWYUHAHOSLCPC-GDBMZVCRSA-N 292.379 1.634 0 50 CDAA C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)Cn1cnnn1 408082872 RBBFWEIBJSTFEV-ZJUUUORDSA-N 289.314 1.347 0 50 CDAA CCCOC(=O)c1c(N)sc(C(=O)OC)c1C 2388766 IFISJQMZJNEHMG-UHFFFAOYSA-N 257.311 1.992 0 50 CDAA in-vitro c1nc(N2CC[C@@H]([C@H]3CCOC3)C2)c2c[nH]nc2n1 441959708 NJUHZXCMEMCKIX-ZJUUUORDSA-N 259.313 1.216 0 50 CDAA C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CN)C1 237560369 XCLYUVHVRWOJHI-ZIAGYGMSSA-N 289.423 1.739 0 50 CDAA CCN(C)C(=O)[C@H](C)NC(=O)c1ccc2c(c1)OCCO2 252484055 FNBFFDNUQUMWLJ-JTQLQIEISA-N 292.335 1.054 0 50 CDAA C[C@H]1C[C@@H]1c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 680733507 CGEZJBANUXINTA-CBAPKCEASA-N 279.321 1.659 0 50 CDAA Cc1sc(CNC(=O)C2(C)CCC2)nc1C(=O)O 1875271252 VEQLKXOICKGKOT-UHFFFAOYSA-N 268.338 1.956 0 50 CDAA COc1ccc(-c2cn(Cc3nccn3C)nn2)cc1OC 900532816 QOIAJBUZEYHQTC-UHFFFAOYSA-N 299.334 1.744 0 50 CDAA Cc1ccc(O)cc1C(=O)N[C@H](C(=O)O)[C@@H]1CCCOC1 909535877 AZPIFGKBVPHICR-MFKMUULPSA-N 293.319 1.310 0 50 CDAA C=CC(=O)NCCC(=O)Nc1cnn(C2CCCC2)c1 928797649 FGYBXXQLZCMCOZ-UHFFFAOYSA-N 276.340 1.629 0 50 CDAA OC[C@H](O)C1CCN(c2ncc(Cl)cc2F)CC1 1772808453 QWJPVFZGTWTWMA-NSHDSACASA-N 274.723 1.444 0 50 CDAA CCSCCC(=O)NCc1ccc(C(=O)O)o1 237099168 DKJLRJQUALIZAC-UHFFFAOYSA-N 257.311 1.737 0 50 CDAA C[C@@H](CC(=O)N1CCOC[C@H]1C(=O)O)c1ccccc1 268978501 LVKUTIITEBMYPW-AAEUAGOBSA-N 277.320 1.492 0 50 CDAA Cc1nc(C)c(CN=c2ccnc(N(C)C)[nH]2)s1 386588651 IXIDKRJHFKMARO-UHFFFAOYSA-N 263.370 1.650 0 50 CDAA Cc1nccc(C(=O)N2CCCC[C@H]2CCC(=O)O)n1 396420707 BYCIOJQXGVYREG-NSHDSACASA-N 277.324 1.645 0 50 CDAA COc1ncccc1C(=O)N[C@H](CC(=O)O)C(F)(F)F 829362163 JNEGNCFYBIBTCV-SSDOTTSWSA-N 292.213 1.226 0 50 CDAA C[C@H]1C[C@@H](NC(=O)CCc2n[nH]c3ccccc23)C(=O)O1 2325766455 UYQXGZOEIXVPSK-TVQRCGJNSA-N 287.319 1.316 0 50 CDAA O[C@H]1CCC[C@H]1N1CCN(c2ccnc3ncccc23)CC1 872441554 HDMMGTWSCZVWJN-CVEARBPZSA-N 298.390 1.665 0 50 CDAA CON1CC[C@H](Nc2cccc(-c3ccon3)c2)C1=O 901484717 WOTLFQXTZKSPIE-ZDUSSCGKSA-N 273.292 1.916 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccccc2)C1 241066 PSTFUXGUJCXCBA-OCCSQVGLSA-N 288.347 1.335 0 50 CDAA O=C(O)CCNC(=O)c1ccc(Br)o1 258292 NHXAFGFCGBWIKP-UHFFFAOYSA-N 262.059 1.247 0 50 CDAA CCOC(=O)C(Nc1ccccc1)C(=O)OCC 1702341 RUEYBBPBTGHLNO-UHFFFAOYSA-N 251.282 1.593 0 50 CDAA COc1ccc(N2C(=O)C[C@H](SCCN)C2=O)cc1 1821445 UPPLCWKFQXAGKI-NSHDSACASA-N 280.349 1.019 0 50 CDAA CN(Cc1cccc2ncnn12)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356157636 OVZXGRSMVHSMMU-CUFDPUGPSA-N 286.379 1.711 0 50 CDAA O[C@@H]1CCN(c2nccn3c(-c4ccncc4)cnc23)C1 2356158961 GFQHSEPSHOISII-GFCCVEGCSA-N 281.319 1.362 0 50 CDAA CN(C)S(=O)(=O)c1ccc2nc(N)sc2c1 3866145 IDPCPTMABJCKGG-UHFFFAOYSA-N 257.340 1.129 0 50 CDAA C[C@]1(C(=O)O)CN(Cc2ccccc2)C[C@]1(C)C(=O)O 4203234 RHJZEEUTPSIPKN-HUUCEWRRSA-N 277.320 1.684 0 50 CDAA COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc(OC)c1O 4646384 RZIREYLLBTUPAS-HQJQHLMTSA-N 285.321 1.198 0 50 CDAA biogenic,in-vitro COc1ccc(S(=O)(=O)NC2CC2)cc1NC(C)=O 6729057 IQBMPXLXMJGYIH-UHFFFAOYSA-N 284.337 1.094 0 50 CDAA CC(=O)Nc1ccccc1C(=O)NCCCn1ccnc1 10313238 FUKDPDDQTKSWGN-UHFFFAOYSA-N 286.335 1.662 0 50 CDAA CCn1nccc1NC(=O)NC[C@@H]1CCNCC1(F)F 415407415 FWZDVUYDGUAKSY-VIFPVBQESA-N 287.314 1.269 0 50 CDAA C[C@H]1CCCCN1CCC(=O)N[C@H]1C[C@@](C)(O)C1 416287750 KEHGSILZALZGCV-SGMGOOAPSA-N 254.374 1.281 0 50 CDAA COc1ccc(-c2noc(N3CC[C@H]([C@H](C)N)C3)n2)cc1 420226618 ANPFYUXUHOOROK-JQWIXIFHSA-N 288.351 1.919 0 50 CDAA NS(=O)(=O)c1cccnc1Nc1ccc2c(c1)CCC2 65183154 ADTSXGPOZOKHOS-UHFFFAOYSA-N 289.360 1.961 0 50 CDAA CS[C@H](C)CNC(=O)C[C@@H](C)C1CCNCC1 125432181 ZPGCZKZWHYQHIT-GHMZBOCLSA-N 258.431 1.880 0 50 CDAA C[C@@H](CNC(=O)C1(C(=O)O)CC1)c1nccs1 235150600 SLTPTQOAEOBZID-ZETCQYMHSA-N 254.311 1.228 0 50 CDAA CSc1cc(C(=O)N2CCC[C@@H]2CO)ccn1 154007123 QETYWGHSPSJUNI-SNVBAGLBSA-N 252.339 1.400 0 50 CDAA O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CCCCO1 120751716 OETSQKVNUBAHEC-SECBINFHSA-N 290.241 1.901 0 50 CDAA CSC[C@](C)(O)CNC(=O)NCc1ccc(C)o1 602402134 URLOSCLDXSEUSS-GFCCVEGCSA-N 272.370 1.501 0 50 CDAA Cc1ccc(F)cc1NC(=O)N1CC[C@H](CO)[C@H](O)C1 72145841 OKOCCKMRHOBGAX-ZWNOBZJWSA-N 282.315 1.341 0 50 CDAA CN(CCN(C)C1CC1)C(=O)Cc1ccc(O)c(F)c1 328599773 UDBGHVHNWDLVCI-UHFFFAOYSA-N 280.343 1.626 0 50 CDAA Oc1nccnc1N1CCC[C@H](Nc2ncccn2)C1 328624705 KAKBIZPCRJVCLA-JTQLQIEISA-N 272.312 1.053 0 50 CDAA Cc1cc(C(=O)Nc2ccn(CC(=O)O)n2)sc1C 122825142 YPTAISKCVSZRMV-UHFFFAOYSA-N 279.321 1.898 0 50 CDAA CCc1nc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)n[nH]1 328949000 HEKIZXGRGIWPCD-JHJVBQTASA-N 294.399 1.383 0 50 CDAA C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)C(C)(C)N)C1 263263676 NABVAZOHCMCGMX-UONOGXRCSA-N 281.444 1.837 0 50 CDAA COC(=O)[C@@H](N)C1CCN(C(=O)OC(C)(C)C)CC1 35571187 KCWQYYUIIOHOLI-JTQLQIEISA-N 272.345 1.134 0 50 CDAA COc1cc(CN2CCC[C@@H](c3nc(O)n[nH]3)C2)ccn1 377527707 KNOWMIGDJRPJAC-LLVKDONJSA-N 289.339 1.294 0 50 CDAA CCc1[nH][nH]c(=NC(=O)c2cnc3cnccc3c2)c1C 336984051 GGAXHYWOGDSBHY-UHFFFAOYSA-N 281.319 1.898 0 50 CDAA CCOc1cncc(N2CCO[C@@H](c3noc(C)n3)C2)n1 239619608 BFSLFVKKKJVBBF-SNVBAGLBSA-N 291.311 1.145 0 50 CDAA CCC[C@H](N)C(=O)N1CCC[C@H](Cc2nccn2C)C1 236819539 QOGIEHVEIDVJDE-OLZOCXBDSA-N 278.400 1.329 0 50 CDAA CC1(C)CN(C(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H]2COC[C@@H]21 333307844 DERPEURYMICSBR-VHRBIJSZSA-N 289.379 1.398 0 50 CDAA CCC(=O)N1CCN(C(=O)c2oc(CC)nc2C)C1 333565878 LQRSJFMISWYDGT-UHFFFAOYSA-N 265.313 1.197 0 50 CDAA CO[C@H]1C[C@@H](N(C)C(=O)Nc2ccnnc2)C12CCC2 333683510 BCTVRPLTSXRMSQ-NEPJUHHUSA-N 276.340 1.898 0 50 CDAA CN(CC(=O)Nc1ccccc1C(F)(F)F)C1CNC1 261920557 KKUXMGOCVQSWEM-UHFFFAOYSA-N 287.285 1.548 0 50 CDAA COc1ccccc1[C@H]1CCCN1CC(=O)NCC(=O)O 262160671 CAAYSZOXCRMOPO-GFCCVEGCSA-N 292.335 1.033 0 50 CDAA O=C(O)CC[C@H]1NC(=O)N(c2cccc(Cl)c2)C1=O 36818758 QQVBXGUGAHVBQH-SECBINFHSA-N 282.683 1.630 0 50 CDAA CC(C)C[C@@H](N)C(=O)N1CC(Oc2ccccc2F)C1 71415609 YSQHNHQEHJTXJZ-CYBMUJFWSA-N 280.343 1.789 0 50 CDAA O=C(N1CCC2(CCN2)CC1)[C@@]12CCCC[C@H]1CNC2 334586079 UUCCFXLEVJALJW-XJKSGUPXSA-N 277.412 1.121 0 50 CDAA O=C(O)CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 238158996 UEBHHBJUAPLWTN-SECBINFHSA-N 297.742 1.470 0 50 CDAA NC[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1F 131725778 VFOISPKOAQCCFB-QMMMGPOBSA-N 292.763 1.591 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)c1nn[nH]c1-c1ccccc1 188932254 CMKIJDRYQRSIGE-CYBMUJFWSA-N 299.378 1.686 0 50 CDAA Cc1cc(OCC(=O)O)ccc1NC(=O)C1CCOCC1 263015233 RVCUWEVRNPFLDH-UHFFFAOYSA-N 293.319 1.824 0 50 CDAA CCSCC[C@H](C)NC(=O)N[C@@H]1CCCCNC1=O 174039711 AKXRFOLQKXBVLI-WDEREUQCSA-N 287.429 1.486 0 50 CDAA COc1ncc(C)cc1NC(=O)N[C@@H]1CCCC[C@H]1O 174993228 FWARVSGQEIIJBI-ZYHUDNBSSA-N 279.340 1.824 0 50 CDAA O[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CCOc1ccccc1 284627979 BISRDOJKNMCJOT-IXDOHACOSA-N 291.391 1.927 0 50 CDAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc2[nH]cnc12 130839598 ZGKMFPDYLVQFIJ-VHSXEESVSA-N 257.293 1.230 0 50 CDAA Cc1nc(CNC(=O)N2CC[C@H](CC(C)C)C2)no1 175697744 DTSGHUHBAYORFB-LLVKDONJSA-N 266.345 1.956 0 50 CDAA CC(C)c1nccc(N2CCN(C[C@@H]3CCOC3)CC2)n1 176951519 MCEHEVUFOIANBP-AWEZNQCLSA-N 290.411 1.759 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CC[C@H](CN)C1 178521765 UVWPOCOUYRWMNN-SNVBAGLBSA-N 266.316 1.645 0 50 CDAA CC(C)OC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 225663748 BTTKSVZGNVCDDU-HNNXBMFYSA-N 277.320 1.345 0 50 CDAA COc1ccc(C(=O)N[C@H](C)c2nnc(N)s2)c(O)c1 220704212 ZJJYQESUDSEKJL-ZCFIWIBFSA-N 294.336 1.326 0 50 CDAA COC[C@@H](NC(=O)C(=O)c1cccn1C)c1ccccn1 220047927 CJYRVUWYUSGQEJ-GFCCVEGCSA-N 287.319 1.107 0 50 CDAA Cc1nc(C(=O)N[C@@H]2CCCCNC2=O)c(C)s1 82290685 XKSHCPACDCLVJZ-SECBINFHSA-N 267.354 1.158 0 50 CDAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2cnccn2)C1 221414261 LKETZUNNUOPNHD-GFCCVEGCSA-N 296.330 1.607 0 50 CDAA CCOc1ncccc1-c1nc(C)ccc1C(N)=O 426477346 HCKWDNFYLBVFRE-UHFFFAOYSA-N 257.293 1.950 0 50 CDAA CCC[C@@H](NC(=O)C(C)(C)NC(C)=O)c1nccn1C 426599779 SAANVPZFTURKKW-LLVKDONJSA-N 280.372 1.292 0 50 CDAA NC(=O)[C@@H]1CCCN(c2nccc(-c3ccccn3)n2)C1 96136110 VOFUJRKQJMGQHQ-LLVKDONJSA-N 283.335 1.240 0 50 CDAA CC(=O)NC(C)(C)C(=O)NCc1ccc2nc(C)[nH]c2c1 426401658 FLCZNMMXTHALIX-UHFFFAOYSA-N 288.351 1.402 0 50 CDAA c1cncc(NCCN=c2cc([C@H]3CCOC3)nc[nH]2)c1 426618349 OCNBGLKYRDTYJD-LBPRGKRZSA-N 285.351 1.321 0 50 CDAA CC(C)[C@]1(CO)CCCN(c2nccn(C)c2=O)C1 293971861 HSTGVDWINAWDQQ-CQSZACIVSA-N 265.357 1.015 0 50 CDAA Cc1cnc(N)nc1N(C)CC[C@@H](C)N1CCCC1 91424926 KOAWLUILMXZQDZ-GFCCVEGCSA-N 263.389 1.678 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)CC[C@H]1CCCCN1C 95389025 HKLNMGGJRPQQKY-CYBMUJFWSA-N 278.400 1.907 0 50 CDAA C[C@@H]1CN(C(=O)COCc2ccccc2)C[C@@]1(O)C1CC1 91326493 JWGZRYBQVVDBEA-DYVFJYSZSA-N 289.375 1.823 0 50 CDAA CCCc1nnc(N2CCC3(CC2)CN(C)C(=O)O3)o1 95387712 DDJYUTHSZJAZAQ-UHFFFAOYSA-N 280.328 1.443 0 50 CDAA O=C(c1cccc(-c2cn[nH]c2)c1)N1CCOCC1 97729581 XLIYQBDWGZFVAU-UHFFFAOYSA-N 257.293 1.549 0 50 CDAA CN(CCn1cncn1)Cc1cc(-c2ccccn2)no1 244811472 SDJNALDCSYHFAZ-UHFFFAOYSA-N 284.323 1.460 0 50 CDAA COC[C@@]1(C)CCN(S(=O)(=O)c2cnc(C)s2)C1 296067546 DEEQVROXLDGQAV-NSHDSACASA-N 290.410 1.499 0 50 CDAA Cc1nc2c(c(=O)n1C)CN(Cc1cncn1C1CC1)C2 244828660 UAGNTPWISITVEZ-UHFFFAOYSA-N 285.351 1.136 0 50 CDAA O=C(Cn1cnc2sccc2c1=O)Nc1cnoc1 623941970 OCSMDFXILAPYPI-UHFFFAOYSA-N 276.277 1.085 0 50 CDAA Cc1cc(CC(C)C)nc(N2CC[C@H](NCC(=O)O)C2)n1 534666968 VZVGDXPFUPRKQM-LBPRGKRZSA-N 292.383 1.236 0 50 CDAA CC(=O)N1CCC[C@@H](N=c2nc(-c3ccccc3)[nH]o2)C1 534662387 GTZAHBPPWBYKPW-CYBMUJFWSA-N 286.335 1.581 0 50 CDAA O=C(C[C@H]1CCOC1)N1CCN(Cc2cccnc2)CC1 352166424 DOIQVVIETGRSNE-CQSZACIVSA-N 289.379 1.152 0 50 CDAA Nc1ncccc1CNC(=O)C1Cc2ccccc2C1 534642370 WZGUSAUQQGOMMA-UHFFFAOYSA-N 267.332 1.695 0 50 CDAA CCCn1cc(C(=O)N2CCC[C@H]2CC(=O)O)cn1 263029450 UWTHHQBKGQSRSU-NSHDSACASA-N 265.313 1.372 0 50 CDAA CCS(=O)(=O)NC[C@@H](C)NC1(Cc2ccccc2)CC1 534663388 WZMLXZGRLZWSAK-CYBMUJFWSA-N 296.436 1.679 0 50 CDAA COc1cc(N2CCN(CC3CCCC3)CC2)nc(N)n1 1506400557 DZPGLWPXXGJGDD-UHFFFAOYSA-N 291.399 1.380 0 50 CDAA O=C(C[C@@H]1CCNC1)N1CC(Oc2ccc(F)cc2)C1 299776063 NBYGJFOYHUCSRI-NSHDSACASA-N 278.327 1.415 0 50 CDAA Cc1ccc(N2CC[C@@H](CNC(=O)c3cn(C)cn3)C2)cc1 299787658 YKUFPVUVHXXLGH-AWEZNQCLSA-N 298.390 1.985 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1c(C)nc2ccc(C)cn12 824506770 QCFPABXPRYTROA-RYUDHWBXSA-N 289.335 1.095 0 50 CDAA O=C(NCCCc1ccccc1F)c1cncnc1O 828202350 FVIVCGZCHNARJU-UHFFFAOYSA-N 275.283 1.684 0 50 CDAA CCc1nc(C)c(C(=O)NCc2cnc3cnccn23)o1 584896556 MYTQYFGJSXSXLQ-UHFFFAOYSA-N 285.307 1.518 0 50 CDAA CO[C@H]1CN(Cc2ccccc2C(F)(F)F)C[C@@H]1O 670437132 SVUPALBCZRJWDQ-RYUDHWBXSA-N 275.270 1.897 0 50 CDAA Cc1cccc(F)c1C(=O)N[C@H](C)c1nc(=N)[nH][nH]1 584904147 FTSPCLWNGREFLJ-SSDOTTSWSA-N 263.276 1.156 0 50 CDAA Cc1nccn1C[C@H]1CCCN(CCN2CCCC2=O)C1 670463536 ITJQAWSRIIMWML-HNNXBMFYSA-N 290.411 1.526 0 50 CDAA CCCn1nccc1C(=O)NCCN=c1cc[nH]cc1C 670453451 ZIIKZBAJSTUENS-UHFFFAOYSA-N 287.367 1.260 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2COCCN2)C[C@H](c2ccsc2)O1 269227081 FKGGOGPWPLUYFU-KGYLQXTDSA-N 296.392 1.025 0 50 CDAA Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CC[C@H](N)C1 269215435 JSNJIIRXFLSJHM-SGMGOOAPSA-N 262.353 1.272 0 50 CDAA Cc1cc2c(NC[C@@H]3CCO[C@@H]3c3nc[nH]n3)nccn2n1 952890008 KXRKKKZHRVXCTD-JQWIXIFHSA-N 299.338 1.346 0 50 CDAA Cn1cc(C[N@]2C[C@@H]2COc2ccc3ocnc3c2)cn1 1875382230 VPAGLIIEIKHJGS-CWTRNNRKSA-N 284.319 1.825 0 50 CDAA C[C@H](N=c1cc[nH]c2ccccc12)[C@H]1CN(C)CCN1C 1875275724 APIYSHHMMSAIEQ-SUMWQHHRSA-N 284.407 1.703 0 50 CDAA Cc1cc(NC(=O)NCc2cnn3ccccc23)on1 1875255609 XHXQWVILGQAGOU-UHFFFAOYSA-N 271.280 1.952 0 50 CDAA CC(C)OC(=O)c1cc(=NC(=O)C2C3(CC3)C23CC3)[nH][nH]1 1875271818 IMGOSQNCMSGNQB-UHFFFAOYSA-N 289.335 1.526 0 50 CDAA OC1(c2nc(-c3ccc(Br)o3)no2)COC1 1875279134 PJRQUEWYNBFNSF-UHFFFAOYSA-N 287.069 1.310 0 50 CDAA Cc1ncc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2[C@H]2C[C@H]23)s1 1875300367 ARZDHFJMLDPYHY-XKNYDFJKSA-N 277.349 1.257 0 50 CDAA CS(=O)(=O)NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 1875391111 MWCYKDQQAQNWQC-TZMCWYRMSA-N 279.361 1.356 0 50 CDAA C[C@H](CC(=O)NS(C)(=O)=O)c1ccc(F)cc1F 1875390214 RKUCCSWSTZZBPV-SSDOTTSWSA-N 277.292 1.534 0 50 CDAA COCC1(S(=O)(=O)Nc2cc(C)cc(C(=O)O)c2)CC1 882724026 XONVRPUQPKKCJF-UHFFFAOYSA-N 299.348 1.614 0 50 CDAA Cc1cc(-c2noc([C@H]3OCC[C@H]3CN)n2)c(C)o1 888078303 HSYCISJIJKZZJI-ONGXEEELSA-N 263.297 1.983 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCCc3nc[nH]c32)ns1 888101034 PYSNBAOJPQZDDL-VIFPVBQESA-N 262.338 1.982 0 50 CDAA Cc1ccc(F)cc1C(=O)NC(C)(C)c1cn(C)nn1 892280698 NVKMEZYRKZZKBW-UHFFFAOYSA-N 276.315 1.928 0 50 CDAA CNc1cc(N2CCCN(c3cccnn3)CC2)ncn1 892347039 RPJHRMBVZPITOD-UHFFFAOYSA-N 285.355 1.025 0 50 CDAA CC1([C@@H]2CN(C(=O)CCc3cccc(O)c3)CCO2)N=N1 1775998389 BHHNTDJPROQSFT-ZDUSSCGKSA-N 289.335 1.734 0 50 CDAA CC[C@@H](C(=O)Nc1cccnc1OC)n1cccn1 1775999927 YBQHMKYJMIIRRD-NSHDSACASA-N 260.297 1.877 0 50 CDAA CCNC(=O)[C@@H]1CC[C@](C)(c2n[nH]c(C)n2)C1(C)C 1565509020 VBYNBIZKEFLKED-IINYFYTJSA-N 264.373 1.943 0 50 CDAA C[C@H]1C[C@H](n2nc(O)c3c(c2=O)CCCC3)C[C@@H](C)O1 899359901 HRRAQEXEKDFCPK-JGPRNRPPSA-N 278.352 1.956 0 50 CDAA COc1nc(N2CCCC2)ccc1C(=O)N(C)OC 39961261 IKSDJNKTGAKORT-UHFFFAOYSA-N 265.313 1.324 0 50 CDAA in-vitro Cn1ccc2ccc(NC(=O)N[C@@]3(CO)CCOC3)cc21 186109134 VAOCMPNCFRXDFO-OAHLLOKOSA-N 289.335 1.451 0 50 CDAA O=C(O)C1(C(=O)Nc2ccc(F)cc2F)CCOCC1 582243653 UOURWTSLDWYBBC-UHFFFAOYSA-N 285.246 1.785 0 50 CDAA C[C@H]1CCOCCN1c1cc(N2CCSCC2)ncn1 302831488 LGGJOUNZIJLOQZ-LBPRGKRZSA-N 294.424 1.645 0 50 CDAA CCOC(=O)[C@H](CC)C(=O)N[C@H]1CCOC(C)(C)C1 408521101 IJCHORSGMOEVNZ-WDEREUQCSA-N 271.357 1.650 0 50 CDAA NC(=O)CC1CCN(c2cccc3nccn23)CC1 170087353 WRQHUGCYCNPZON-UHFFFAOYSA-N 258.325 1.426 0 50 CDAA CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 224565911 UPUGDBLOXQSHJF-UTUOFQBUSA-N 269.341 1.515 0 50 CDAA Cn1cnc(CNC[C@@](C)(CO)c2ccccc2)c1 585083658 XADSVFKWBRLAKP-HNNXBMFYSA-N 259.353 1.460 0 50 CDAA Cc1cc(=NC(=O)[C@@H]2CCc3cccc(O)c32)[nH][nH]1 553335891 YHGPHOXRHDLCQV-SNVBAGLBSA-N 257.293 1.514 0 50 CDAA COC1(C(=O)N2CCN(c3cccc(F)n3)CC2)CCC1 1325304283 DDOHUKKQJYCGGG-UHFFFAOYSA-N 293.342 1.438 0 50 CDAA CCO[C@H]1C[C@](O)(CNC(=O)c2ccc(C)n2C)C1(C)C 191739151 ZDBMGGXVBCYHNL-BBRMVZONSA-N 294.395 1.629 0 50 CDAA Cc1nnc(SC[C@H](O)C(F)(F)F)n1C1CC1 195564138 LUHNFZZJEYGQKU-ZETCQYMHSA-N 267.276 1.937 0 50 CDAA CCC1CN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 654699157 WLORSBQPDGPRIL-UHFFFAOYSA-N 282.365 1.124 0 50 CDAA Cc1c(C(=O)NCCCN)nc(O)c2ccccc12 655411497 VAOVEYCMIIBLLK-UHFFFAOYSA-N 259.309 1.327 0 50 CDAA C[C@H]1CCN(C(=O)c2nc[nH]c3nccc2-3)[C@H](C(=O)O)C1 659156244 KJXAZCQTXPSJHV-WPRPVWTQSA-N 288.307 1.235 0 50 CDAA CCc1nsc(NCCC(=O)Nc2ncc[nH]2)n1 664009493 XPBQNHZBOBGROJ-UHFFFAOYSA-N 266.330 1.264 0 50 CDAA CN(Cc1cccc2cccnc12)C(=O)c1cnc(O)[nH]1 1189542409 JKHVGSSGKLEMGE-UHFFFAOYSA-N 282.303 1.936 0 50 CDAA Cc1cncc(C(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)c1 923199081 XZISDJDJRMQRRI-WHOHXGKFSA-N 260.293 1.229 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccc(OC(F)F)cc1 200328802 IRLIKHQYBPJJMS-UHFFFAOYSA-N 288.099 1.542 0 50 CDAA COCCn1cnnc1CN(C)Cc1sc(C)nc1C 1506430130 WMIDLHNKMRWZTC-UHFFFAOYSA-N 295.412 1.630 0 50 CDAA CN(CCC[C@@H]1CCCO1)CCN1CCCC1=O 1506407117 IQDLRIFAYUBZQX-CYBMUJFWSA-N 254.374 1.500 0 50 CDAA CCN(CCN1CCCC1)C(=O)c1ccc(N)nc1 1506425026 KLTXKNLLNVORSC-UHFFFAOYSA-N 262.357 1.222 0 50 CDAA CCc1c(C)noc1NC(=O)CCCNC(C)=O 1529113784 IUWNGOZOOZXMCJ-UHFFFAOYSA-N 253.302 1.400 0 50 CDAA CCCc1nc(CS(=O)(=O)c2ncccc2O)no1 1615588483 QMVMDVTZVPXVQA-UHFFFAOYSA-N 283.309 1.097 0 50 CDAA N[C@@H]1C[C@H]2CO[C@@H](c3ccc(Cl)cc3)CN2C1 1800411518 KZQNOHVEKYZIAF-FRRDWIJNSA-N 252.745 1.813 0 50 CDAA COC1CCC(N(C)S(=O)(=O)C[C@H]2CCOC2)CC1 408175079 PFGQGBHVGNFVIS-HIFPTAJRSA-N 291.413 1.242 0 50 CDAA COc1ccc(CC(=O)N2CC[C@H](N)C2)c(Cl)c1 237175566 IBILYQPHGBOEIS-JTQLQIEISA-N 268.744 1.451 0 50 CDAA CC(C)[C@H](CNC(=O)CC1(O)CCCCC1)ON 1875309305 GBLRFPXAMMGDDZ-NSHDSACASA-N 258.362 1.103 0 50 CDAA Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1 18029352 UXCVLUFUJKHDBV-UHFFFAOYSA-N 276.321 1.083 0 50 CDAA Cc1nc(C)c(F)c(N2CCC[C@H](C3=NCCN3C)C2)n1 1615548648 HHUPRJVMUQNAOX-LBPRGKRZSA-N 291.374 1.793 0 50 CDAA CC(C)C[C@@H]1NC(=O)N([C@@H]2CCN(C(=O)C(C)C)C2)C1=O 1615835509 FQZSEQGKPLKUDJ-NEPJUHHUSA-N 295.383 1.210 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)C[C@@H]1CCC(=O)N(C)C1 1772813515 DUYZKNSETAXCJI-LBPRGKRZSA-N 286.379 1.863 0 50 CDAA Cc1ccc(OCC(=O)NCCc2cn[nH]c2)cc1 20271080 PMBJSXPVKWIQGX-UHFFFAOYSA-N 259.309 1.456 0 50 CDAA O=C(COc1cccc(Br)c1)Nc1nnc[nH]1 5731002 LVHRVVBCZHMXSS-UHFFFAOYSA-N 297.112 1.585 0 50 CDAA COc1ccccc1C(=O)N1CCO[C@H](CCN(C)C)C1 12439780 HXMIIMXZXMCCCB-CYBMUJFWSA-N 292.379 1.488 0 50 CDAA CC(C)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12588173 RNVGPEFQEJUNLU-CQSZACIVSA-N 264.344 1.967 0 50 CDAA CCOC(=O)CCNCP(=O)(OCC)OCC 19730833 GKAPLXYMFAVPQV-UHFFFAOYSA-N 267.262 1.753 0 50 CDAA CN1C(=O)NCC12CN(Cc1ccc3ccccc3n1)C2 1857670869 GXHTUVCVDFPCOM-UHFFFAOYSA-N 282.347 1.444 0 50 CDAA C[C@H](N(C)C(=O)NC[C@@H]1COCCO1)C1(C)CC1 408418669 ATTMLVPQGPMLRA-WDEREUQCSA-N 256.346 1.232 0 50 CDAA CN1CCN(NC(=O)c2ccc(Cl)cc2Cl)CC1 4113245 OTDXIZVTZSQMNE-UHFFFAOYSA-N 288.178 1.886 0 50 CDAA Cc1occc1C(=O)N1CCC[C@@H](c2n[nH]c(=N)o2)C1 636207528 UVPQTBRJRLPULT-SECBINFHSA-N 276.296 1.403 0 50 CDAA C[C@H]1CCN(C(=O)NCCNC(=O)C(C)(C)C)C[C@H]1C 127210725 VLSPDYWVRYTNIX-NWDGAFQWSA-N 283.416 1.836 0 50 CDAA Cc1noc(COC2CN(C(=O)[C@@H]3CC=CCC3)C2)n1 644208010 HPYRDYKMPHXJHQ-LLVKDONJSA-N 277.324 1.462 0 50 CDAA Cc1ccccc1OCCNC(=O)N1C[C@@H](F)C[C@@H]1CO 346749423 MNNRYEFESAXLMI-QWHCGFSZSA-N 296.342 1.488 0 50 CDAA OC[C@@H]1CN(Cc2ccc(-c3ccccn3)nc2)CC[C@@H]1O 563023761 NGYHJTPXOZROTE-YOEHRIQHSA-N 299.374 1.319 0 50 CDAA O=C(O)[C@H](c1ccc2c(c1)OCCO2)N1CCCC1 16764651 KTDBVQUBYCVNGF-ZDUSSCGKSA-N 263.293 1.679 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)c2cccc(C(=O)O)c2)C1 261567225 IBJKVTHUSXLDOU-RYUDHWBXSA-N 263.293 1.682 0 50 CDAA CC(C)[C@@H](C)NC(=O)N1CCO[C@@H](CN(C)CC2CC2)C1 583614983 VWXMLYFECUMNHH-HIFRSBDPSA-N 297.443 1.783 0 50 CDAA CC(C)[C@@H](CCO)NC(=O)c1cnc(NC2CC2)s1 585129365 HAUCBUQUECNRGL-SNVBAGLBSA-N 283.397 1.854 0 50 CDAA CCc1nc(N2CCNC[C@H]2COC)c2ccsc2n1 900449497 HCLPNMHQVFGEJT-JTQLQIEISA-N 292.408 1.678 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCNC12CCC2 902432555 IJLPAXZNCVGGDZ-QLFBSQMISA-N 257.381 1.485 0 50 CDAA COc1ccc(-c2cc(N(C)Cc3cnn(C)n3)n[nH]2)cc1 809963007 IOWVUIXAVRVPAI-UHFFFAOYSA-N 298.350 1.850 0 50 CDAA OCC1(NCc2nncs2)Cc2ccccc2C1 929646292 NMLGRAVKIHDECT-UHFFFAOYSA-N 261.350 1.158 0 50 CDAA CCn1nncc1CN[C@H]1c2ccccc2OC[C@H]1CO 934212599 YQEFHYJQFQHVMO-IAQYHMDHSA-N 288.351 1.130 0 50 CDAA C[C@H](NCc1cncn1C)c1ccc2c(c1)OCO2 112340317 ACOKKEJZFDCLLN-JTQLQIEISA-N 259.309 2.000 0 50 CDAA CCO[C@H]1C[C@H]1C(=O)NCCc1ccc(C(=O)O)cc1 236962768 XDMHWQINMDEGSZ-OLZOCXBDSA-N 277.320 1.469 0 50 CDAA CCc1nc(CN2CC[C@H](CN3CCOCC3)C2)cs1 129455577 HLSJMXFTAGUYOC-CYBMUJFWSA-N 295.452 1.860 0 50 CDAA CO[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)[C@@H]1CCOC1 659119543 BLVBVSRKQKJSCP-ZYHUDNBSSA-N 279.292 1.375 0 50 CDAA Cc1cc(CN(C)S(=O)(=O)N(C)C)c2ccccc2n1 346388279 XXXCZYAYCXVTCK-UHFFFAOYSA-N 293.392 1.781 0 50 CDAA O=C(O)CCC1CCN(C(=O)C[C@@H]2CCOC2)CC1 401180851 BDXCDDJNGKGERD-LBPRGKRZSA-N 269.341 1.516 0 50 CDAA CC(C)(C)C[C@H](NC(=O)c1ccc(F)cn1)C(=O)O 401533240 WVYPVRCSUFACKO-JTQLQIEISA-N 268.288 1.840 0 50 CDAA Cc1ccc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)cn1 379279236 PXUVKVHAGRBJTE-GHMZBOCLSA-N 287.285 1.884 0 50 CDAA CC1(C)C[C@@H](O)CCN(C(=O)c2cncc(F)c2)C1 395404313 TUBSOJATSSUPCT-LBPRGKRZSA-N 266.316 1.844 0 50 CDAA Cn1cnnc1SCC(=O)Nc1ccccc1F 82346 MYZFWUIDLAUZPJ-UHFFFAOYSA-N 266.301 1.685 0 50 CDAA CN1CC[C@@H](O)[C@H](C(=O)NCc2ccnc3ccccc23)C1 2100545430 UVHCYXUCVXPAGA-GDBMZVCRSA-N 299.374 1.164 0 50 CDAA NCCS[C@@H]1CC(=O)N(Cc2cccs2)C1=O 18271525 ZFHMDDMFWUYZPV-SECBINFHSA-N 270.379 1.068 0 50 CDAA Cc1n[nH]c(C)c1Cc1nnc(N2CCCCC2)n1C 2325768103 IPVZPYUYPKITKU-UHFFFAOYSA-N 274.372 1.736 0 50 CDAA CC(C)c1noc(N2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)n1 906150488 JZIHBGWUYBACCY-YIZRAAEISA-N 251.286 1.350 0 50 CDAA COc1ccc([C@H]2SC[C@H](C(=O)O)N2C(C)=O)cc1 87637 HMYDLHFCLSTJNZ-VXGBXAGGSA-N 281.333 1.742 0 50 CDAA C[C@@H](CN(C)C)OC(=O)c1ccc2c(c1)OCO2 206169 NPAGVLZASGSDFL-VIFPVBQESA-N 251.282 1.522 0 50 CDAA CNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 368768 DDUDHOOZPHVZNS-UHFFFAOYSA-N 296.326 1.716 0 50 CDAA NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 393832 QYBPBEKJXBRSGI-CQSZACIVSA-N 284.315 1.219 0 50 CDAA NC(=O)c1ccsc1NC(=O)COc1ccccc1 1054715 SWAFHENUJXWEAO-UHFFFAOYSA-N 276.317 1.865 0 50 CDAA COc1cccc(CNCCCN2CCOCC2)c1OC 2198671 OHLMZBLSLLSREM-UHFFFAOYSA-N 294.395 1.516 0 50 CDAA O=C1CCc2ccccc2CN1CCN1CCOCC1 2356151734 WZHPLHHGDKMVSV-UHFFFAOYSA-N 274.364 1.294 0 50 CDAA O=C(Nc1ccc2c(c1)OCO2)C(=O)N1CCCCC1 2846026 QYNBSCXIUGKUCQ-UHFFFAOYSA-N 276.292 1.366 0 50 CDAA CONC(=O)c1cc2cc(Br)ccc2oc1=O 6744688 DQTIUMMNIGRRSF-UHFFFAOYSA-N 298.092 1.847 0 50 CDAA O=C([C@H]1C[C@H]1C1CCC1)N1CCN(C2CC2)C(=O)C1 225453023 YFSBLEPLXBWLCL-STQMWFEESA-N 262.353 1.256 0 50 CDAA COc1cc2ncn(CCCC(=O)O)c(=O)c2cc1OC 8075019 KZQSTSRWNBBLFH-UHFFFAOYSA-N 292.291 1.279 0 50 CDAA CC1(C)C(=O)NCCN1Cc1cc2ccccc2[nH]c1=O 111218968 MYDJVBVBTJESON-UHFFFAOYSA-N 285.347 1.239 0 50 CDAA CCC[C@H](C)c1nnc(NC(=O)Cc2n[nH]c(=O)[nH]2)s1 55575843 ODAMUIKUQLLGGX-LURJTMIESA-N 296.356 1.034 0 50 CDAA Cc1nnc(CNC(=O)c2ccccc2OC(F)F)o1 53966847 LJVODMHSYZLAQO-UHFFFAOYSA-N 283.234 1.909 0 50 CDAA C[C@H]1OCC[C@@]1(O)CNc1ncc(Br)cn1 228007714 GVTKDOLAEMHKMD-GMSGAONNSA-N 288.145 1.191 0 50 CDAA C[C@@H]1CCN(c2cc(C(=O)N=c3cc[nH]cc3)ccn2)C1 346669955 OPTPRYJVFPFISP-GFCCVEGCSA-N 282.347 1.997 0 50 CDAA COC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 117792043 JOARGDNOHLNTGI-UHFFFAOYSA-N 258.318 1.742 0 50 CDAA CCN1CCN(Cc2ccc(O)c(OC)c2)CC1 22586432 DXGAFNQGMZEQTL-UHFFFAOYSA-N 250.342 1.538 0 50 CDAA CN(Cc1ccn[nH]1)C(=O)c1cccc2c1OCC2 20538700 BYOOJYGJWKGDMG-UHFFFAOYSA-N 257.293 1.617 0 50 CDAA Cc1nc(CN(C)Cc2cccn2-c2ncccn2)no1 65507760 JHAXLDYQLPYRIN-UHFFFAOYSA-N 284.323 1.591 0 50 CDAA CN(C)C[C@H]1COCCN(c2ccc(Cl)cn2)C1 1506407309 QUQPKOXTLCPHQV-LLVKDONJSA-N 269.776 1.749 0 50 CDAA C[C@@H](c1ccon1)N(C)CC(=O)Nc1cnccn1 65435150 YZFCBVPYNMSOJV-VIFPVBQESA-N 261.285 1.096 0 50 CDAA CN(CCC(F)(F)F)C[C@H]1CCCN(CCO)C1 67804125 YTERNYBKHGNKLP-LLVKDONJSA-N 268.323 1.575 0 50 CDAA COC1(C(=O)Nc2nc(C)c(C)s2)CCNCC1 150722780 LRHWLILHDRYBTA-UHFFFAOYSA-N 269.370 1.467 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)Nc1cc(N(C)C)ncn1 252507979 WZFFQLMBMKGUNI-JTQLQIEISA-N 279.344 1.043 0 50 CDAA CCn1cc[nH]c(=Nc2ccc3c(c2)ncn3C)c1=O 358473031 UTQPFLPILQGZFG-UHFFFAOYSA-N 269.308 1.315 0 50 CDAA Nc1cnc(Cl)cc1I 38540849 UOICMMKVFPTQMX-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA C[C@]12CCCC(=O)N1[C@@H](CO)[C@@H](c1ccccc1)O2 519048 HMPLCFQDHIGQMF-CFVMTHIKSA-N 261.321 1.848 0 50 CDAA biogenic O=C(NCCc1nc2ccccc2s1)c1cnc[nH]1 218981544 QGUIUJPUQPCWFT-UHFFFAOYSA-N 272.333 1.992 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 219426427 ZCBQZJJJWIUUHW-XNRPHZJLSA-N 299.374 1.830 0 50 CDAA COc1ccc([C@H](CCO)NC(=O)c2cc(C)n[nH]2)cc1 122981946 AFOWSUOJQQNGNO-ZDUSSCGKSA-N 289.335 1.580 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](C)COC 253371218 AMZBBAMALDXUDK-MGPQQGTHSA-N 268.401 1.744 0 50 CDAA Cc1cc(NCCN2CCCC2)n2nc(C)cc2n1 72420168 IQMSPEUMLVOPCQ-UHFFFAOYSA-N 259.357 1.854 0 50 CDAA CN1CC[C@@H]2CCN(C[C@H](O)COC(C)(C)C)[C@H]2C1 253417076 LENXEFFBRGIKCU-RDBSUJKOSA-N 270.417 1.188 0 50 CDAA COc1ccc(C(=O)NC(C)(C)CN2CCOCC2)cc1 331360563 XZBKTLCRDGAJPI-UHFFFAOYSA-N 292.379 1.536 0 50 CDAA CCC1(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CCC1 174931119 IDRMPKUTEWNDGX-GWCFXTLKSA-N 282.409 1.889 0 50 CDAA COc1cccc(C(=O)N[C@@H](CO)CCSC)c1 154748170 URPNVEBTDZXGQI-LLVKDONJSA-N 269.366 1.539 0 50 CDAA Cc1nccn1-c1cncc(N[C@@H]2C=C[C@H](CO)C2)n1 365428140 LVQFHNRPJQMJHP-NWDGAFQWSA-N 271.324 1.320 0 50 CDAA CNC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(C)c1 237160117 RGZFXHLDDQLXCB-NSHDSACASA-N 286.372 1.507 0 50 CDAA CCOCC[C@@H](O)CN1CCC(c2c[nH]nc2C)CC1 366943760 MOGRXHXCOMAGQW-CQSZACIVSA-N 281.400 1.685 0 50 CDAA CC(C)[C@@H]1CCN1C(=O)NCCc1cn(C)cn1 333566446 HUYRODHQINUFLQ-LBPRGKRZSA-N 250.346 1.403 0 50 CDAA CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)O)C3)nn12 31775854 PBXTVAUCZADZTA-JTQLQIEISA-N 289.339 1.549 0 50 CDAA Cc1ccccc1N1CCN(C(=O)Cn2ccnc2)[C@@H](C)C1 77440399 CHKJGWOKNLMJTC-HNNXBMFYSA-N 298.390 1.929 0 50 CDAA CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc3n(n2)CCO3)C12CCC2 377972727 VKTQMOJCJGTAET-TVYUQYBPSA-N 291.351 1.209 0 50 CDAA COC[C@H]1CCCN(c2ccnc(N(C)C)n2)CC1 450946865 MOSLRYZGKOQWGY-LBPRGKRZSA-N 264.373 1.796 0 50 CDAA O=C(Cc1ccc2c(c1)OCO2)NC1(C(=O)O)CCCC1 262051884 BYCSOWKTCUDQAB-UHFFFAOYSA-N 291.303 1.471 0 50 CDAA CNC(=O)c1ccc(NC(=O)c2cncn2C)cc1Cl 336089323 BBDXIRYMFYSLSG-UHFFFAOYSA-N 292.726 1.685 0 50 CDAA Cc1ccnc(NCCSc2nc(C)n[nH]2)n1 32503389 ZEFYZDVMIMWVPO-UHFFFAOYSA-N 250.331 1.416 0 50 CDAA C[C@@H]1CC(=O)NCCN1CCc1ccc(F)c(F)c1 375843366 AVOILEZAUMSMMA-SNVBAGLBSA-N 268.307 1.718 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@H]2CN)c2cnn(C)c2n1 130925407 JBBNJGPFOOSVLW-NSHDSACASA-N 287.367 1.230 0 50 CDAA COCCn1ccnc1CN(C)Cc1cnc2ccccn12 216262177 YYVHCJBEQXOZAU-UHFFFAOYSA-N 299.378 1.809 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccoc1C1CC1 286854263 NDWHTRHVCGWCDT-SCZZXKLOSA-N 266.272 1.195 0 50 CDAA NC[C@H]1CCN(C(=O)CCCOc2ccccc2F)C1 178570507 OHROSPFFAAPVMH-GFCCVEGCSA-N 280.343 1.792 0 50 CDAA Cn1cccc1C(=O)N1CCC[C@H](Cn2ccnc2)C1 222895731 OTDIEXZBMYUFNK-CYBMUJFWSA-N 272.352 1.774 0 50 CDAA Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](CN)C3)cc2)c1 178540775 LBRLPZRDEHYEMZ-ZDUSSCGKSA-N 284.363 1.602 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CC(N3CCCC[C@H]3C)C2)[nH]1 426398035 JNAOQIBDMAMRJP-GFCCVEGCSA-N 289.379 1.382 0 50 CDAA C[C@H](CO)CSc1nnc(CN)n1-c1ccc(F)cc1 426428373 ZETDFDMDVDCHGA-SECBINFHSA-N 296.371 1.586 0 50 CDAA Cc1c(NC(=O)Cn2cc(-c3ccccc3)nn2)cnn1C 178294911 NJPOJAMAZJAXFF-UHFFFAOYSA-N 296.334 1.626 0 50 CDAA CN(Cc1cnccn1)C(=O)C(C)(C)N1CCCC1 426500076 IWECUFRKZWOYBA-UHFFFAOYSA-N 262.357 1.309 0 50 CDAA O=C(Nc1ccon1)C1CCN(C(=O)N2CCCC2)CC1 179524596 RLRBQGDZFFHGNK-UHFFFAOYSA-N 292.339 1.541 0 50 CDAA CCN1CCC(c2nc([C@@H]3CCOC3)no2)CC1 96133584 FRMDVGZHLDUPKI-LLVKDONJSA-N 251.330 1.773 0 50 CDAA Cc1nc([C@@H](C)N(C)C(=O)CN2CCCC2=O)c(C)s1 95524009 OQBWFHVVWFZWDP-SECBINFHSA-N 295.408 1.902 0 50 CDAA 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275.304 1.545 0 50 CDAA CN(CC[C@H]1COCCO1)Cc1cccc(O)c1 1775978009 OHRAPXKJFMPEMR-AWEZNQCLSA-N 251.326 1.630 0 50 CDAA NCC[C@@H]1CN(C(=O)Cc2cccc(Cl)c2)CCO1 219862709 VKFXPYAMHMAYGQ-CYBMUJFWSA-N 282.771 1.459 0 50 CDAA c1ccc(CN2CCO[C@H]3CN(CC4CC4)C[C@H]32)cc1 230103485 TZNJOKPYGZMSLG-SJORKVTESA-N 272.392 1.982 0 50 CDAA CC(C)Oc1ccc(C(=O)N2CCN(C)CC2)cc1 8051019 XOYQFTFUTVPCMO-UHFFFAOYSA-N 262.353 1.861 0 50 CDAA O=C(O)CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCOCC1 238103753 LRYQGSBFSFQYOC-NWDGAFQWSA-N 267.325 1.125 0 50 CDAA O[C@@]1(C(F)(F)F)CCN(c2ncnc3c2CCCC3)C1 153148659 MIMRFTXFAROISZ-LBPRGKRZSA-N 287.285 1.859 0 50 CDAA CN(C)S(=O)(=O)c1cccc(NCc2cocn2)c1 193148644 ZKQCMMNNCGTWRM-UHFFFAOYSA-N 281.337 1.537 0 50 CDAA Cc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)no1 407962719 NYTPOPUIXDRTTC-IJLUTSLNSA-N 279.340 1.534 0 50 CDAA CCCc1nc(C(=O)N2C[C@H](O)[C@@H](F)C2)cs1 1615701305 PXBKFXRPXNYLJK-CBAPKCEASA-N 258.318 1.250 0 50 CDAA COC(=O)c1ccc(NC(=O)Cc2cc(C)no2)nc1 2100540368 IVUWCRCOTWHMGQ-UHFFFAOYSA-N 275.264 1.346 0 50 CDAA C[C@@H]1OCCN(C(=O)N=c2ccn(C(F)F)[nH]2)[C@H]1C 2325769498 KAWLUNFGCINBEM-YUMQZZPRSA-N 274.271 1.341 0 50 CDAA O=C(N[C@H](c1nn[nH]n1)C1CC1)c1coc2c1CSC2 2325807087 ZFBLNBQTEUKLLW-JTQLQIEISA-N 291.336 1.421 0 50 CDAA NC(=O)[C@@H]1CCN(c2cc(C3CC3)nc(C3CC3)n2)C1 892339272 FWYKEJKJQLXYSB-LLVKDONJSA-N 272.352 1.543 0 50 CDAA CCOC(=O)N1CCN(C(=O)C2CCCCC2)CC1 199368 CIAHBFFQTNPHDS-UHFFFAOYSA-N 268.357 1.867 0 50 CDAA O=C(O)c1cc(S(=O)(=O)N2CCCC2)ccc1F 264485 NAMOGVOFOQZATA-UHFFFAOYSA-N 273.285 1.308 0 50 CDAA Cc1ccc(C)c(N(CC(=O)NC2CC2)S(C)(=O)=O)c1 329055 WRIHFWPLHKOTGR-UHFFFAOYSA-N 296.392 1.348 0 50 CDAA O=C(N1CCOCC1)N1CCN(c2ccccc2F)CC1 355167 FSZBYGWZGVPCMU-UHFFFAOYSA-N 293.342 1.400 0 50 CDAA aggregator O=c1c2c([nH]c3nc(-c4ccccc4)nn13)CCC2 101196152 BDCNNISBWFYRPQ-UHFFFAOYSA-N 252.277 1.573 0 50 CDAA COCc1ccccc1CNC(=O)[C@@H]1C[C@H](OC)CN1C 343725844 DVQGPALQVIXJJY-GJZGRUSLSA-N 292.379 1.168 0 50 CDAA COC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(F)c2)CC1=O 8234877 GEINOYZBATVGOB-GHMZBOCLSA-N 294.326 1.648 0 50 CDAA Cc1cccc(NC(=S)NN2CCN(C)CC2)c1 8581771 WBVXPQGODRXOME-UHFFFAOYSA-N 264.398 1.444 0 50 CDAA CC(=O)c1ccc(OCCCN2CCOCC2)cc1 20326823 BANZXGCVSDAAHM-UHFFFAOYSA-N 263.337 1.990 0 50 CDAA CNC(=O)[C@@H](C)NC(=O)c1cc(Cl)c(Cl)nc1C 311205687 MPARQGWLXMHSHJ-ZCFIWIBFSA-N 290.150 1.561 0 50 CDAA Cc1nsc(NC(=O)N[C@H](C)c2ccncn2)n1 55403141 CCEDCJQRIWUZIN-ZCFIWIBFSA-N 264.314 1.519 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C(F)(F)F)C(=O)C1 100016245 FUHZEIWXMXDMSS-SSDOTTSWSA-N 295.257 1.944 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCC(=O)NC(C)C)n1 67788562 CYSZSXOVHHOCLL-NSHDSACASA-N 252.362 1.003 0 50 CDAA Cn1cccc1-c1cc(C(=O)N2CCc3[nH]cnc3C2)n[nH]1 67886673 GEAOJGUUHZSZLV-UHFFFAOYSA-N 296.334 1.337 0 50 CDAA CN1CCC(NCCOc2ccccc2F)CC1 65488701 NSOWJOSOJRRSOK-UHFFFAOYSA-N 252.333 1.888 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)[nH]n1 71748069 FFWXGUWSECNEAA-NSHDSACASA-N 290.367 1.239 0 50 CDAA CCc1nccn1CCNc1nc(C)nc2c1c(C)nn2C 72428461 ZRCODSNHSJOJMQ-UHFFFAOYSA-N 299.382 1.851 0 50 CDAA COc1ccc(C(=O)NCc2csc(C)n2)o1 20541808 QNZUIXMNACUCDL-UHFFFAOYSA-N 252.295 1.983 0 50 CDAA COC[C@@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 215667116 HOTJCNFDKOGNBQ-GFCCVEGCSA-N 264.373 1.401 0 50 CDAA CC(C)n1cc(NC(=O)CCc2ccnn2C)cn1 122839993 LYAYYPQMKVOHEU-UHFFFAOYSA-N 261.329 1.769 0 50 CDAA COC1(CNC(=O)c2cccnc2S)CCOCC1 151360122 DCAHGQBHIPFLLP-UHFFFAOYSA-N 282.365 1.296 0 50 CDAA O=C(NC[C@H](O)c1ccccc1Cl)[C@@H]1CCCCN1 151446297 HMLSDTNZZCDABP-STQMWFEESA-N 282.771 1.632 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@@H]1CCCOC1 328628551 NVUJDOLBPGOGDV-CHWSQXEVSA-N 277.368 1.331 0 50 CDAA Cc1cnc(COCC(=O)N2CCOCC23CCC3)o1 329158275 DKLYXBKGKUSBTP-UHFFFAOYSA-N 280.324 1.281 0 50 CDAA Cc1cc(NC(=O)Cn2ncccc2=O)n(C(C)(C)C)n1 331346652 RKZGOBSTVRTJIH-UHFFFAOYSA-N 289.339 1.142 0 50 CDAA O=C(NCCCc1ncc[nH]1)[C@H]1CCC[C@H](O)C1 219347456 YBZRXSLXSAQCKS-QWRGUYRKSA-N 251.330 1.010 0 50 CDAA Cn1c(Cn2ncsc2=O)nnc1-c1ccccc1 124063707 IYNXFXGJUXXVGR-UHFFFAOYSA-N 273.321 1.149 0 50 CDAA Cc1c[nH]nc1CNC[C@H]1CC(=O)Nc2ccccc21 368233313 XIQIKGVIKFALAP-LLVKDONJSA-N 270.336 1.934 0 50 CDAA COC[C@@]1(C(=O)O)CCCN(C(=O)c2cccs2)C1 262802526 CTVMJDQANMFIRH-CYBMUJFWSA-N 283.349 1.702 0 50 CDAA CCN1CCN(S(=O)(=O)c2ccccc2)CC1 35966823 UINWAPGPEFSGRQ-UHFFFAOYSA-N 254.355 1.013 0 50 CDAA CCOc1ccc(CN[C@@H](C)C(N)=O)cc1Cl 32547826 HWLUNMJIUJAZMF-QMMMGPOBSA-N 256.733 1.702 0 50 CDAA CC(C)CCO[C@H](C)C(=O)N1CC[C@@H](N)C[C@@H]1C 236758166 DZCLLMKZDUWGIZ-YNEHKIRRSA-N 256.390 1.776 0 50 CDAA C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)[C@H]1C[C@H]1C 241837564 SLDWXHBNQFNLNV-WYUUTHIRSA-N 253.342 1.975 0 50 CDAA O=C(N[C@H](CO)[C@H](O)c1ccccc1)c1ccccc1 34565684 CIBCUGQJTOFUEX-HUUCEWRRSA-N 271.316 1.511 0 50 CDAA CCn1cc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)cn1 262445053 OKGLZSOFTGIISK-NSHDSACASA-N 277.324 1.230 0 50 CDAA CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(C)C1=O 338471226 QEGNOBNZHJKDQU-RRFJBIMHSA-N 286.375 1.699 0 50 CDAA Cc1nccn1Cc1cccc(CNC(=O)[C@H]2CCCN2)c1 237631487 SIARGRGRSYKFPR-MRXNPFEDSA-N 298.390 1.608 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)CCn1cc(Cl)cn1 262631545 FIJVMGCZVKDAEM-SNVBAGLBSA-N 285.731 1.392 0 50 CDAA COCCC[C@H]1CCCCN1C(=O)c1nccn1C 214975848 BLYAJWAWFZGEDH-GFCCVEGCSA-N 265.357 1.841 0 50 CDAA Cc1ncsc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 334772527 VUPAPKBMXUMFRC-ZJUUUORDSA-N 251.355 1.228 0 50 CDAA Cc1ccc(CC(=O)N2CCOc3ccncc32)cn1 174923013 QCVFQBWPRILPBZ-UHFFFAOYSA-N 269.304 1.753 0 50 CDAA CCOC1(C(=O)N[C@H](C)c2ncon2)CCCC1 285896771 URLLGWGEJUUGNY-SECBINFHSA-N 253.302 1.596 0 50 CDAA Cc1nc(NC(=O)NC2Cc3ccccc3C2)nn1C 48376266 JKRUUJHDGLAZHF-UHFFFAOYSA-N 271.324 1.412 0 50 CDAA C[C@@H](C[C@H](O)c1ccco1)Nc1ccnc(C(N)=O)c1 132723960 GKNCLLPUVWDGSG-CABZTGNLSA-N 275.308 1.698 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 342261112 VTCFAEXJRGZSHZ-ZDUSSCGKSA-N 299.330 1.507 0 50 CDAA CCOc1cc2c(cc1CN1CC[C@@H](N)[C@H](O)C1)CCC2 82109122 JJHSVPVOPKKBAO-HZPDHXFCSA-N 290.407 1.468 0 50 CDAA CC(C)(C)OC(=O)N1CCN(C[C@@H]2CCCNC2)CC1 40457334 LCBUIDRWWNJXKR-CYBMUJFWSA-N 283.416 1.539 0 50 CDAA O=C(COc1cccc(Cl)c1)NC[C@@H]1C[C@H](F)CN1 82091303 BKZAREPAZPSFBS-QWRGUYRKSA-N 286.734 1.535 0 50 CDAA Cc1nc2ccc(N(C)Cc3occc3C)nn2n1 292287885 MSKVIKKHPSXYMO-UHFFFAOYSA-N 257.297 1.971 0 50 CDAA COCC[C@@H]1COCCN1C(=O)[C@@H](C)c1cccnc1 291118406 CUVXXARCVPBEAX-GXTWGEPZSA-N 278.352 1.449 0 50 CDAA CCc1nccn1CCC(=O)N1CCCC[C@H]1C(=O)O 426716801 BNMWQSLIVZJANT-NSHDSACASA-N 279.340 1.301 0 50 CDAA COCC[C@H]1COCCN1C(=O)[C@H](C)Oc1cccnc1 291296115 WDPQKMHCNQJLMF-STQMWFEESA-N 294.351 1.113 0 50 CDAA CC(C)n1cnnc1CCNC(=O)Cc1ccncc1 222684285 YYBNWRGKBVWZHK-UHFFFAOYSA-N 273.340 1.155 0 50 CDAA Cc1ncsc1CCN=c1cc([C@H]2CCOC2)nc[nH]1 426563095 BKTXFWABMCVFBE-NSHDSACASA-N 290.392 1.822 0 50 CDAA Cc1nn(C)c2nc(NCCN3CCOCC3)sc12 95383380 KEHRIKOWJLCQHZ-UHFFFAOYSA-N 281.385 1.082 0 50 CDAA Cc1nn(C)c2nc(N[C@H](C)c3nnn[nH]3)sc12 95509387 UVFJYYBRMJKAKB-RXMQYKEDSA-N 264.318 1.024 0 50 CDAA C[C@@H](CCC(=O)N(C)CCc1cnn(C)c1)N1CCCC1 426612243 DTUVBKOVKAFSHK-AWEZNQCLSA-N 292.427 1.686 0 50 CDAA COc1cccc(F)c1[C@@H](C)NC(=O)[C@@H]1CSCN1 162042712 HFYGDWNPELQFPG-SCZZXKLOSA-N 284.356 1.674 0 50 CDAA O=C(O)[C@@]1(CC2CC2)CCCN(Cc2ncccn2)C1 92046098 VMGCHOVDPRLQEX-OAHLLOKOSA-N 275.352 1.944 0 50 CDAA CCn1ncc(Cl)c1C(=O)N[C@@H](C)CC(=O)O 621535601 GYEDVJYFXPUMDL-LURJTMIESA-N 259.693 1.149 0 50 CDAA Cc1cccc2cc(C(=O)N3CCC[C@@H](C(N)=O)C3)n(C)c12 91965008 ZXVDUJLZSYDHJZ-CYBMUJFWSA-N 299.374 1.824 0 50 CDAA c1nc(CNc2nnc(C3CC3)o2)nc2c1CCC2 95360450 QQDVKHFYTINVJJ-UHFFFAOYSA-N 257.297 1.838 0 50 CDAA C[C@@H](NC(=O)CC1CCOCC1)c1ncc(C(=O)O)s1 621609963 YYROSAGOCRLLAQ-MRVPVSSYSA-N 298.364 1.835 0 50 CDAA CCC[C@H]1CN(C(=O)CCn2ccnc2CC)C[C@@H]1N 91380930 DAHWPHUKJYHEPP-STQMWFEESA-N 278.400 1.421 0 50 CDAA CC(=O)Nc1ccc(F)c(NC(=O)N2CC[C@@H](O)C2)c1 96138827 AKEJSIVTSQRIII-SNVBAGLBSA-N 281.287 1.383 0 50 CDAA CCOc1ccc(S(=O)(=O)Nc2onc(C)c2C)cn1 181052229 CCCKVGQSTNQLFO-UHFFFAOYSA-N 297.336 1.886 0 50 CDAA COCC[C@@H]1CN(c2ncnc(C)c2C)CCO1 91690504 SXSDZJJXFSGCQY-GFCCVEGCSA-N 251.330 1.335 0 50 CDAA CCn1nc(C)c(CNC(=O)c2cscn2)c1C 244795832 ROJSBGKDTQZGTD-UHFFFAOYSA-N 264.354 1.906 0 50 CDAA Cc1ccc(C)c([C@@H](C)NC(=O)CN2CC(O)C2)c1 244884366 YLGAITKNCUTBOG-GFCCVEGCSA-N 262.353 1.157 0 50 CDAA CS(=O)(=O)N[C@H](Cn1cccn1)c1ccccc1 607362760 GQEAOGVRBCBQGF-GFCCVEGCSA-N 265.338 1.174 0 50 CDAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)CC(C)C)c1O 253623736 JDFMHTCOPWIDQB-QMMMGPOBSA-N 296.323 1.285 0 50 CDAA biogenic O=C(NC[C@@H](O)c1ccccc1Cl)[C@@H]1CCNC1 299740131 WDSJZOBWBABXAG-BXKDBHETSA-N 268.744 1.099 0 50 CDAA CCOC(=O)N1CC[C@H](NCc2cc(C3CC3)on2)C1 534672329 OUNHNQHIRDTPOJ-NSHDSACASA-N 279.340 1.872 0 50 CDAA Cc1csc(CCNC(=O)c2c(Cl)cnn2C)n1 534671188 QVBIZVIBXCMWTQ-UHFFFAOYSA-N 284.772 1.811 0 50 CDAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1ccc2c(c1)OCCO2 378114727 SBQLPESFPYXEOQ-LBPRGKRZSA-N 299.330 1.468 0 50 CDAA Cc1noc(C)c1CCCNC(=O)[C@H](C)Cn1cccn1 820631963 IFAPMKVLZOUENC-LLVKDONJSA-N 290.367 1.873 0 50 CDAA Cn1cncc1C(=O)NCCCC[C@H]1CCCO1 584895553 ORQKHGOWDCYXOC-NSHDSACASA-N 251.330 1.499 0 50 CDAA O=C(N1CCC(CCN2CCCC2)CC1)C1(CO)CC1 584894333 XHZQXLCAPGIBAH-UHFFFAOYSA-N 280.412 1.483 0 50 CDAA NS(=O)(=O)c1cc(C(F)(F)F)ccc1NCCCO 585139218 ZWMOLWPLUKKTEI-UHFFFAOYSA-N 298.286 1.147 0 50 CDAA Cc1nonc1CN1CCCN(C(=O)c2ccoc2)CC1 670450921 NAANFWWKLYPOIX-UHFFFAOYSA-N 290.323 1.319 0 50 CDAA C[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)CCS1 1875311018 JPJYGJWFCAKQAG-XZPZHEHLSA-N 283.393 1.744 0 50 CDAA COCC[C@H]1CN(C(=O)c2cc[nH]c2C)CCO1 584896998 BFTNIGODAJIKAA-NSHDSACASA-N 252.314 1.201 0 50 CDAA C[C@H](CN(C)CCO)NCc1cnc2ccccc2c1 584888931 HCJWPRSNEMGYMV-CYBMUJFWSA-N 273.380 1.637 0 50 CDAA Cc1ncoc1CNC(=O)c1ncoc1C(F)(F)F 1456848862 UOGFHSJMSLUBTE-UHFFFAOYSA-N 275.186 1.920 0 50 CDAA CCn1nnc(C)c1CN1CC[C@@]2(CCCN2C)C1 952879885 AFSMXKPGDMFKRI-AWEZNQCLSA-N 263.389 1.277 0 50 CDAA O=C(NO[C@H]1CCCCO1)Nc1ccnc(C2CC2)n1 1875271589 XEFKHNPFXILQFJ-NSHDSACASA-N 278.312 1.934 0 50 CDAA Cc1noc(-c2cccc(NC(=O)NCCN(C)C)c2)n1 1875258224 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0 50 CDAA CCc1cnc(O)c(C(=O)N[C@@H]2C[C@@H](N)C23CCC3)c1 1772246945 XQGMEWDQQNDMTO-VXGBXAGGSA-N 275.352 1.349 0 50 CDAA Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC(Cc2ccoc2)C1 890573613 LPQSRZADPSSPKH-ZIAGYGMSSA-N 285.347 1.818 0 50 CDAA CCc1cc(NC(=O)[C@H](C)c2cnn(C)c2)nn1C 1336536917 ZEEIKFPVAKYWMW-SECBINFHSA-N 261.329 1.458 0 50 CDAA CCc1nc2c(C(=O)N[C@@]34CCC[C@@H]3NCC4)ccnc2[nH]1 1775600072 IHZMYFHJTNZRNN-MEDUHNTESA-N 299.378 1.535 0 50 CDAA Cc1cccc(O)c1C(=O)N1CCO[C@H](c2nc[nH]n2)C1 1775990835 ARDMSBGLUZCYFV-NSHDSACASA-N 288.307 1.032 0 50 CDAA C[C@H](NC(=O)c1coc(C(C)(C)C)n1)c1nn(C)cc1O 1365120100 MJAOUCRDXYTVQO-QMMMGPOBSA-N 292.339 1.902 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccncc1 272415481 PGJYCVLZTIZVNP-UKRRQHHQSA-N 262.353 1.801 0 50 CDAA Nc1nc(C(=O)N2CCN(CC(F)(F)F)CC2)cs1 55188690 OVNOQRPCAKWGGD-UHFFFAOYSA-N 294.302 1.045 0 50 CDAA CC(C)C[C@H](CO)N(C)c1ccnc(N(C)C)n1 547791885 LKUXVDHYVSYRHC-LLVKDONJSA-N 252.362 1.386 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCc1ccnc(C)n1 408473770 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67740768 WSIUJQUKNRFNAR-MRXNPFEDSA-N 270.380 1.773 0 50 CDAA O=C(NCc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 660204596 MMFBVMWNYUODTG-ZNMIVQPWSA-N 274.364 1.989 0 50 CDAA CCc1ncc(S(=O)(=O)N(C)Cc2ccc(C)o2)[nH]1 70419928 BJEDJFXETLOGIH-UHFFFAOYSA-N 283.353 1.694 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2ccccc2N)C(=O)C1 694737312 KUKPPYHBMZTPDK-UHFFFAOYSA-N 291.351 1.853 0 50 CDAA Cc1cc(Cl)ccc1CN1CCN2C(=O)NC[C@@H]2C1 136218970 WLNMXNCDKWDIHJ-CYBMUJFWSA-N 279.771 1.858 0 50 CDAA CCc1nccn1C[C@H](C)N[C@H]1CC[C@@H](N)CC1 1506399111 ZCUFZRMOIASJCD-RWMBFGLXSA-N 250.390 1.694 0 50 CDAA CC(C)NCc1cn(Cc2ncc(Cl)s2)nn1 905801973 PADLAVOKDSXBKJ-UHFFFAOYSA-N 271.777 1.934 0 50 CDAA CN(CC[C@@H]1CCCCO1)Cc1cc(O)nc(O)n1 1529191336 WWODUDBCGYNDIY-NSHDSACASA-N 267.329 1.279 0 50 CDAA COCCCn1cnnc1[C@H](C)Nc1ccnc(C)n1 1529114554 PHCBWLZWNJKKID-JTQLQIEISA-N 276.344 1.586 0 50 CDAA O=C(CSc1nccc(O)n1)NCc1ccccc1 17972072 BRMCRRLEGAJEID-UHFFFAOYSA-N 275.333 1.591 0 50 CDAA Cc1cnc(C)c(NCC(C)(C)N2CCN(C)CC2)n1 1506417380 IZIPQJUNWMOISF-UHFFFAOYSA-N 277.416 1.531 0 50 CDAA O=S(=O)(CC1CCC1)N1C[C@]2(CCCO2)[C@H]1C1CC1 334220290 RHJOXXPUOJTSGJ-ZIAGYGMSSA-N 285.409 1.760 0 50 CDAA CC(C)(C)OC(=O)N1CCC([C@@H]2OCC[C@H]2N)CC1 238853053 IDWVGGMOYJZQRB-NEPJUHHUSA-N 270.373 1.750 0 50 CDAA CN(C(=O)N1CCOC[C@]12CCOC2)C1CCCC1 241644694 PSTHPQUXLCCJQM-CQSZACIVSA-N 268.357 1.472 0 50 CDAA CCCc1cc(NC(=O)c2ncccc2O)n(C)n1 134002253 FMLCDNUNTZCQQL-UHFFFAOYSA-N 260.297 1.726 0 50 CDAA Cc1nc(CNC(=O)[C@H]2CCCNCC2)n(C)c1C 1857704601 YXQAPQQWSDPHHD-LBPRGKRZSA-N 264.373 1.043 0 50 CDAA Cc1cccc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c1C 1704316036 JCYRWIOJUQCIOX-IYBDPMFKSA-N 289.331 1.665 0 50 CDAA CCCOc1ccc(OCCN2C[C@H](O)[C@@H](F)C2)cc1 1615750743 NADRLBUTSSARLO-GJZGRUSLSA-N 283.343 1.869 0 50 CDAA CC(C)n1ccc(C(=O)NC[C@@H]2CCN(C)C2)n1 265087124 YXIONKMLTLIZRW-NSHDSACASA-N 250.346 1.146 0 50 CDAA Cc1cccc2nc(N3CC(n4cc(CO)nn4)C3)oc12 1615613518 AQGPVOOPBBNKAD-UHFFFAOYSA-N 285.307 1.281 0 50 CDAA N[C@@H]1CC12CC(NC(=O)N1CCC3(CC1)CC3(F)F)C2 1615590751 PXQCQMYTMLFDAJ-SQLBVSGCSA-N 285.338 1.697 0 50 CDAA Cc1nc2n(n1)[C@@]1(C(=O)O)CCC(=O)N1c1ccccc1-2 1616030861 GNMRVJPMTWUXFN-CQSZACIVSA-N 284.275 1.131 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1cnn2cc(C)ccc12 1772710287 PRPSOYVWCYBEFI-NSHDSACASA-N 293.392 1.487 0 50 CDAA COc1ccc(O)c(-c2ccc(S(C)(=O)=O)cn2)c1 1772812511 MFYCRQPVKORXPQ-UHFFFAOYSA-N 279.317 1.866 0 50 CDAA CN1CCC2(CC1)CN(c1nnc3ccccn13)CCO2 1772810038 HNBDDPJJAGIJBR-UHFFFAOYSA-N 287.367 1.030 0 50 CDAA Cc1cccn2ncc(C(=O)N[C@@H]3C[C@@H]4CC[C@H]3O4)c12 1772707947 ZSNWCBBKXGOWNQ-CYZMBNFOSA-N 271.320 1.692 0 50 CDAA Cc1ccc(O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 16552477 HDYDVGJHOHBPID-GFCCVEGCSA-N 290.363 1.486 0 50 CDAA C[C@H]1c2cccn2CCN1C(=O)c1nc2ncccn2n1 19146191 BBIWGYQUILSINZ-JTQLQIEISA-N 282.307 1.143 0 50 CDAA CC(=O)O[C@@H](CN1CCN(C)CC1)c1ccccc1 19360371 FRWDVKRXQFHYPY-HNNXBMFYSA-N 262.353 1.538 0 50 CDAA COC[C@@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2 4141267 VDPCCMFCJXGJPS-DFVUYQKZSA-N 263.293 1.580 0 50 CDAA biogenic Cn1c(SCC(=O)NC2CC2)nnc1-c1cccs1 6729786 BSAYFSNNJNVBOJ-UHFFFAOYSA-N 294.405 1.914 0 50 CDAA CC(=O)Oc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 4506340 XYVPFVVDRVHJQD-UHFFFAOYSA-N 298.298 1.963 0 50 CDAA CN1C(=O)NCC12CN(Cc1ccc3[nH]ccc3c1)C2 1857697121 WDXWJMAQOYGTBU-UHFFFAOYSA-N 270.336 1.377 0 50 CDAA Cc1nn(C)c2c1[C@H](NC(=O)c1n[nH]c3c1CCC3)CCC2 1857676968 NPPMEFSBCKLZLE-GFCCVEGCSA-N 299.378 1.748 0 50 CDAA Cc1ccc(CCC(=O)N[C@@H]2CNC(=O)C2)c(C)c1 330736703 NLTVEUCMWNOVBY-ZDUSSCGKSA-N 260.337 1.241 0 50 CDAA CCCn1nc(C)c(C(=O)N2CC[C@@H](C(=O)O)C2)c1C 237053976 NJZWBAHXQYIMEX-LLVKDONJSA-N 279.340 1.457 0 50 CDAA CCCCn1nnnc1CN1CC[C@]2(CCCN(C)C2)C1 550238580 JPYHWMCOAJDCOR-HNNXBMFYSA-N 292.431 1.391 0 50 CDAA O=C(c1ccc(CO)c(F)c1)N1CC[C@H](N2CCCC2)C1 366742431 IRXWLIBKSXTJGB-AWEZNQCLSA-N 292.354 1.628 0 50 CDAA COc1cnc(F)c(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1 585128545 FCENZMFYDXVHQX-ZJUUUORDSA-N 298.314 1.752 0 50 CDAA Cc1c(C(=O)N2C[C@H](O)C3(CC3)C2)cnn1-c1ccncc1 1649762392 MOOGOXWLFMWXEN-AWEZNQCLSA-N 298.346 1.173 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)c(C)[nH]1 907942733 YEKWKPVUIFMUGZ-XRRVDJEJSA-N 276.336 1.861 0 50 CDAA CC[C@@H]1CN(C(=O)NCc2nn(CC)nc2C)CCCO1 824714088 XPNOELVEEYJCKP-GFCCVEGCSA-N 295.387 1.317 0 50 CDAA Cn1cc(N2C[C@H](C(=O)Nc3ccccc3)CCC2=O)cn1 929122505 UPWUQWUXIDXLOX-GFCCVEGCSA-N 298.346 1.802 0 50 CDAA O=C(NCCn1cnnn1)c1ccc(C(F)F)c(F)c1 934714644 PHTZLMVPRZGVQW-UHFFFAOYSA-N 285.229 1.180 0 50 CDAA Cc1ccc2c(C(=O)NCCn3cnnn3)c(C)ccc2c1 934713337 BMNLWGOBAIIAKS-UHFFFAOYSA-N 295.346 1.873 0 50 CDAA COC(=O)/C=C/c1ccc(OCCNC(C)=O)cc1 1857533524 XVTNGZKNOBHARV-VMPITWQZSA-N 263.293 1.388 0 50 CDAA CCC(CC)(CN)C(=O)N1CC[C@]2(CCOC2)C1 225480171 GZZXQOLJLCEJKR-ZDUSSCGKSA-N 254.374 1.391 0 50 CDAA C[C@H](NC(=O)CN1C[C@@H](C)O[C@H](C)C1)c1ccccc1 20572380 YSPFGNHRGXHSCG-MCIONIFRSA-N 276.380 1.973 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)C2CCNCC2)c(F)c1 237124927 CQJPOPWCIPDQEY-UHFFFAOYSA-N 286.372 1.507 0 50 CDAA N[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 157936162 RDTYFPSQHGQUHN-NSHDSACASA-N 266.316 1.544 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)nn1C 261636048 GRWURHBPSWJPCX-LLVKDONJSA-N 279.340 1.588 0 50 CDAA CCCCS(=O)(=O)N1CC[C@H](c2ncc[nH]2)C1 404279760 OZPWSARWRHYTJG-JTQLQIEISA-N 257.359 1.329 0 50 CDAA CN(Cc1csnn1)C[C@H]1CCc2nccn2C1 328643585 RLPVBBBHNYYBTP-SNVBAGLBSA-N 263.370 1.429 0 50 CDAA Cc1cc(CN2CCC[C@@H]2CN2CCOCC2)ncn1 428243661 HKVJQUFGFVWENX-OAHLLOKOSA-N 276.384 1.082 0 50 CDAA O=C(NCc1ccccc1)[C@@H]1CCc2nncn2C1 335847308 BTPWXHFQSUSBMI-GFCCVEGCSA-N 256.309 1.157 0 50 CDAA C[C@H]1COC(C)(C)CN1C(=O)[C@@H](O)Cc1ccccc1 336347495 MEILQAFVRITZEN-JSGCOSHPSA-N 277.364 1.616 0 50 CDAA Cn1cc(C(F)(F)F)cc(NC(=O)C23CC2C3)c1=O 2325897599 ACYZWPYNFUWPPF-UHFFFAOYSA-N 272.226 1.753 0 50 CDAA CCN1CC[C@@H](N(CC)C(=O)c2cncc3nc[nH]c23)C1 898675383 PXZVXFUOHMNVLY-LLVKDONJSA-N 287.367 1.514 0 50 CDAA CCn1nc(C)c(C(=O)N2CC[C@H](N)C2)c1Cl 132696066 VCTBGTONZZPUAG-QMMMGPOBSA-N 256.737 1.038 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2)S1 51019 TYZWEONFZGQVSK-NSHDSACASA-N 263.322 1.688 0 50 CDAA O=C(NCCc1ccccc1)c1nc2ncccn2n1 338941 HVCHXTRBEZJXRX-UHFFFAOYSA-N 267.292 1.097 0 50 CDAA Nc1nncn1C(=O)c1c(Cl)cccc1Cl 466954 WLFRLTICXPPNKB-UHFFFAOYSA-N 257.080 1.856 0 50 CDAA FC(F)(F)c1nnc2ccc(N3CCCC3)nn12 1389151 NJTBVMOKDUAAEH-UHFFFAOYSA-N 257.219 1.743 0 50 CDAA O=C(O)c1cn2cc(I)ccc2n1 2578134 VXUADYUOSVMTEM-UHFFFAOYSA-N 288.044 1.637 0 50 CDAA CCc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1 4703675 GKBJLPXYIUHYRY-UHFFFAOYSA-N 257.311 1.100 0 50 CDAA CN1CCO[C@@H]2CN(c3cnc(-c4ccccc4)cn3)C[C@@H]21 413469812 LPMOLTCGKMNHPB-JKSUJKDBSA-N 296.374 1.663 0 50 CDAA O=C(CCN1CCCCO1)NCC1(Cn2ccnc2)CC1 55569058 KUYGIGWGEVDTIQ-UHFFFAOYSA-N 292.383 1.197 0 50 CDAA COC(=O)C1(NC(=O)[C@@H]2[C@H]3CCC[C@H]32)CCCC1 247388492 VMSIJYWLWDCWOS-URLYPYJESA-N 251.326 1.635 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cc(C)on1 345823797 ZQSKURWYNVXHCD-RBSFLKMASA-N 280.368 1.999 0 50 CDAA Cc1nc(C)n(C[C@H](C)C(=O)N2CCSCC2)n1 20539178 WRKDUWHVBIDTTL-VIFPVBQESA-N 268.386 1.106 0 50 CDAA Cc1ccc(C)c(OCCN2C[C@H](C(=O)O)CC2=O)c1 65493345 TZCYXXIMMBVEQX-GFCCVEGCSA-N 277.320 1.615 0 50 CDAA C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1nc2ccccc2[nH]1 68122381 RTXGCJQGUPHNGL-JTQLQIEISA-N 296.330 1.753 0 50 CDAA COC1([C@H](C)NC(=O)[C@@H](C)CSC)CCOCC1 421754533 DPCZJCOQUZSWGO-QWRGUYRKSA-N 275.414 1.686 0 50 CDAA O=C1CCCN1CCSc1ncnc2[nH]cnc12 118179920 OYAIJZAKIFCNCV-UHFFFAOYSA-N 263.326 1.067 0 50 CDAA COc1ccccc1-n1nc(C2CC2)nc1C1(C(N)=O)CC1 65470672 CYMJITVKHNYNQE-UHFFFAOYSA-N 298.346 1.670 0 50 CDAA O=C(O)c1cc2sc(N3CCOCC3)nc2s1 26506362 NZTGCUYNLGZDRD-UHFFFAOYSA-N 270.335 1.893 0 50 CDAA CN(C)N[C@H]1S/C(=C/C(=O)O)C(=O)N1c1ccccc1 22064338 NMGJGAAASDRUFJ-AORWBKJGSA-N 293.348 1.085 0 50 CDAA CN(C)CCN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 22798661 QXXLESWYFDJPFJ-LLVKDONJSA-N 257.378 1.147 0 50 CDAA CN(Cc1cc2cc(F)ccc2[nH]1)C[C@H](O)CO 67755170 YULXZWKDLGIUBZ-LBPRGKRZSA-N 252.289 1.092 0 50 CDAA Cc1cc(=O)c(C(=O)N(C)Cc2cnn(C(C)C)c2)c[nH]1 20998012 OFEHVYIXTOODDK-UHFFFAOYSA-N 288.351 1.733 0 50 CDAA CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccco1 252517164 BDUXNQPJVJORBJ-WCQYABFASA-N 286.397 1.429 0 50 CDAA Oc1ncnc2c1nnn2Cc1ccccc1Cl 156125 TZTXJPKPLJTIKE-UHFFFAOYSA-N 261.672 1.629 0 50 CDAA COc1nccnc1-c1ccc2nc(C)[nH]c(=O)c2c1 32580844 LUFAYSQKCXGRON-UHFFFAOYSA-N 268.276 1.697 0 50 CDAA O=C(NCCCn1cccn1)c1nn[nH]c1-c1ccccc1 189045520 OOQDLWKOJQURLO-UHFFFAOYSA-N 296.334 1.488 0 50 CDAA Cn1nccc1CCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 253395922 IXIJUFKGMFROOI-HZPDHXFCSA-N 289.354 1.910 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1ccc(C(=O)O)cc1C 282240262 QBMKMRHPLWSLGA-VIFPVBQESA-N 287.337 1.470 0 50 CDAA CCc1cc(C(=O)N[C@@H]2CC(=O)N(CC)C2)cs1 71479416 CPCLCNZMSDOJKL-SNVBAGLBSA-N 266.366 1.661 0 50 CDAA CC(C)[C@@H](N1CCOCC1)n1nnc2ccccc21 32600068 IGAJVRPHBHUXAP-AWEZNQCLSA-N 260.341 1.918 0 50 CDAA C[C@H]1CN(C(=O)C2=COCCC2)CC2(CCOCC2)O1 365767597 CTIYBMYIWPNZCP-LBPRGKRZSA-N 281.352 1.477 0 50 CDAA CN[C@H]1CCCN(C(=O)c2ccccc2OCCOC)C1 150995779 MSLSODCSPVHSSB-ZDUSSCGKSA-N 292.379 1.536 0 50 CDAA Cc1ccccc1OC1CN(Cc2cncn2C)C1 215164026 CBZSSNBUIZLHRI-UHFFFAOYSA-N 257.337 1.992 0 50 CDAA COC[C@@H]1CN([C@@H](C)C(=O)NCc2cccs2)CCO1 172889216 JVENFHWODQBCMZ-RYUDHWBXSA-N 298.408 1.100 0 50 CDAA O=C(NCCCN1CCc2ccccc2C1)C1CC1 32398839 ZKFXPQCVMBNNPV-UHFFFAOYSA-N 258.365 1.961 0 50 CDAA CCn1nc(C)c(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1C 71753171 ZLZYAPVNJKOJTH-SECBINFHSA-N 289.383 1.912 0 50 CDAA COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)cc1 34926292 WLLXQBKWDFUXPD-QWRGUYRKSA-N 263.293 1.991 0 50 CDAA Cc1cc(=NC(=O)NCC(C)(C)CN2CCCC2)[nH]n1C 331628047 NAYYWYWUXIOQRS-UHFFFAOYSA-N 293.415 1.394 0 50 CDAA CO[C@](C)(C(=O)NCc1nc(CO)cs1)C1CC1 331686179 RKOBERMQTMAKHB-LBPRGKRZSA-N 270.354 1.067 0 50 CDAA O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCC(F)(F)C1 332192249 BELWCUMQRHCNPB-VIFPVBQESA-N 270.283 1.318 0 50 CDAA CO[C@H](C(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1ccccc1 241926462 UGJIPCPPUREGOB-QXKUPLGCSA-N 289.375 1.897 0 50 CDAA CS(=O)(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 374226315 AANUNGJINYDIFT-GFCCVEGCSA-N 294.376 1.371 0 50 CDAA CO[C@@H]1COC[C@@H]1NC(=O)NCC1=CCCCC1 334106502 YLHUJTPHDHYMTL-NWDGAFQWSA-N 254.330 1.200 0 50 CDAA COc1cccc(F)c1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 222735745 VITVFAIITAWWTK-CMPLNLGQSA-N 278.327 1.610 0 50 CDAA O=C(Cc1cc(F)ccc1F)NC1(C(=O)O)CCC1 238085749 XMQFLBMMTDZJBG-UHFFFAOYSA-N 269.247 1.631 0 50 CDAA CC(=O)N1CCN([C@@H]2CN([C@H]3C=CCCC3)C[C@@H]2C)CC1 607974381 CTFCRIMRPWSGPK-BHYGNILZSA-N 291.439 1.580 0 50 CDAA CCOC[C@H](NCC(=O)Nc1cc(C)on1)C(C)C 286308221 VXLIUBRTXCRZNX-NSHDSACASA-N 269.345 1.572 0 50 CDAA CO[C@H](C(=O)N1CC[C@H](CN2CCCCC2)C1)C1CC1 241644487 PRDTZXWALOFUGJ-HIFRSBDPSA-N 280.412 1.746 0 50 CDAA NC(=O)c1cccc(CNC[C@@]2(O)CCc3ccccc32)c1 132038483 HAGXYMBJIXZBJI-SFHVURJKSA-N 296.370 1.709 0 50 CDAA O=C([C@H]1CNCCO1)N1CCC[C@H]1Cc1cccc(F)c1 178432212 PBRHLMGNCQBTSJ-LSDHHAIUSA-N 292.354 1.348 0 50 CDAA CN(C)CCn1cc(-c2cccc(C(=O)O)c2)cn1 40450076 HVGUERNNMJSANR-UHFFFAOYSA-N 259.309 1.810 0 50 CDAA O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1CCOC1 48978281 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Cc1ccc(C(=O)N[C@@]2(c3ncc[nH]3)CCOC2)nc1C 886096601 MDZXPYYPEJOQDG-HNNXBMFYSA-N 286.335 1.467 0 50 CDAA O=C(c1cnns1)N1CCOc2ccccc2[C@H]1CO 887109225 HLTPXFKGUVTOEK-SNVBAGLBSA-N 291.332 1.106 0 50 CDAA O=C(C=C1CCCC1)N[C@@H]1CCC(=O)N[C@H]1C1CC1 888099093 RMXMMXYZPUFXFL-DOMZBBRYSA-N 262.353 1.660 0 50 CDAA CC(C)(O)[C@@H](O)C(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 888831676 RABIYCXAQRRRSK-RBOXIYTFSA-N 290.363 1.051 0 50 CDAA CC1(C)OC[C@H]2C[C@@]21C(=O)OCc1nnc2ccccc2n1 1773454356 AKYAQDCUUQVARM-HWPZZCPQSA-N 299.330 1.883 0 50 CDAA COc1ccnc(CNC(=O)[C@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)c1F 1775960789 LOKHIXHBMHYMGR-YTWAJWBKSA-N 293.342 1.219 0 50 CDAA CN1[C@H]2CC[C@H]1[C@@H]1[C@H]3NC(=O)N(C)[C@@]1(C2)Oc1ccccc13 1776003783 HAJQMRZZEQPMCT-ZSNWHLAKSA-N 299.374 1.954 0 50 CDAA Cc1nc(S(=O)(=O)NC(=O)CC(C)C)sc1C 408497100 LDGBXGCSZVXBEA-UHFFFAOYSA-N 276.383 1.611 0 50 CDAA O=C(CCn1cncn1)Nc1cc(C(=O)O)cs1 191357222 ADEUJNSHESTTHC-UHFFFAOYSA-N 266.282 1.067 0 50 CDAA Cc1cccn2cc(CCNC(=O)[C@H]3CC3(F)F)nc12 649039126 RJBQNCNOHFWQBO-LLVKDONJSA-N 279.290 1.957 0 50 CDAA O=c1cccnn1CCCS(=O)(=O)c1ccccc1 195420519 VSOXYJJUORVXLX-UHFFFAOYSA-N 278.333 1.107 0 50 CDAA O=C(NCc1cccc(C(F)(F)F)n1)N[C@@H]1C[C@H]1CO 566841854 WXUUPWJESXOMEC-IONNQARKSA-N 289.257 1.280 0 50 CDAA COCc1n[nH]c(CNc2ncnc3sccc23)n1 656472977 SOJSQUYZTCQXLK-UHFFFAOYSA-N 276.325 1.568 0 50 CDAA CC[C@@H](O)c1cn(CCOC2CCSCC2)nn1 725271148 YAFRHYXPUWIIIZ-GFCCVEGCSA-N 271.386 1.634 0 50 CDAA COc1cc(C)nc(N2CCC(c3cnc[nH]3)CC2)n1 674338237 GTTXOQQTNXOJFG-UHFFFAOYSA-N 273.340 1.901 0 50 CDAA Cc1c[nH]cc1C(=O)N1CCC[C@H](N2CCOCC2)C1 585087526 DPVQQYUJEXASTA-ZDUSSCGKSA-N 277.368 1.260 0 50 CDAA CCS[C@@H]1CCCCN(C(=O)c2cnc(O)n2C)C1 585131924 KCCIZTMEVDNHJG-SNVBAGLBSA-N 283.397 1.874 0 50 CDAA Cc1nncn1CCN1CCC(O)(c2ccccc2)CC1 1506427073 KFZDCNWOSUNPFL-UHFFFAOYSA-N 286.379 1.570 0 50 CDAA CCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)NC1=S 313489 NJUZYPUOTIWUBO-FLIBITNWSA-N 290.344 1.551 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)Cn2ccnc2C)s1 1529120926 UPQWIQOIQQNGQE-SSDOTTSWSA-N 281.341 1.389 0 50 CDAA CN(CC[C@@H]1CCCCO1)c1nc(C(=O)O)co1 1529152343 KBJHLZHNHODGFO-VIFPVBQESA-N 254.286 1.768 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)[C@H](N)Cc1ccccc1 1529127002 WOJGLPXFKLKWSM-CQSZACIVSA-N 286.379 1.799 0 50 CDAA Cc1n[nH]c(C)c1CN1C[C@H](O)[C@H](Cc2ccncc2)C1 1529151816 MWIJEAWZAKEDNM-ZBFHGGJFSA-N 286.379 1.457 0 50 CDAA CCCn1nc(C)c(NC(=O)[C@@H]2CC(=O)N(CC)C2)c1C 1529099161 RVULQIULICHCQB-GFCCVEGCSA-N 292.383 1.717 0 50 CDAA CCO[C@@H](C)c1nccn1CCN1C(=O)CCC1=O 124202248 OVBGSVWFPBPFJK-JTQLQIEISA-N 265.313 1.130 0 50 CDAA CCN(CC(=O)O)C(=O)C1(c2ccccc2F)CC1 236925398 BAEKNFCEZBUMGB-UHFFFAOYSA-N 265.284 1.790 0 50 CDAA COC(=O)c1nc2c(Br)cccn2n1 238421297 LGEUEXGUVIIJAH-UHFFFAOYSA-N 256.059 1.278 0 50 CDAA CC(C)S(=O)(=O)CC(=O)Nc1ccc2cccnc2c1 1615614324 GBYSHUWFYWNDAM-UHFFFAOYSA-N 292.360 1.997 0 50 CDAA O=C(Cc1ccccc1C(F)(F)F)N1C[C@H](O)[C@@H](F)C1 1615750985 ODPWVWPYSKBHOC-QWRGUYRKSA-N 291.244 1.789 0 50 CDAA Cc1cccc(C(=O)N2CC[C@H](CC(N)=O)C2)c1C 377170780 BIPWKYOOGPAWJL-GFCCVEGCSA-N 260.337 1.641 0 50 CDAA CCc1sc(C(=O)NCc2nnc(C)n2C)cc1C 264382299 YRLVNWAHPHHMIX-UHFFFAOYSA-N 278.381 1.986 0 50 CDAA C[C@H](NC(=O)C(=O)c1ccc(F)cc1)[C@@H](C)C(=O)O 1614994326 GUFTZVWFEDTFDC-SFYZADRCSA-N 267.256 1.234 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1cccc3c1COCC3)C2 1615546242 NGSWTFBSKVLLEH-OFWKBQFLSA-N 272.348 1.369 0 50 CDAA Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C3CC3)C2)n1 11665508 XWBFUMJYXPOYLW-GFCCVEGCSA-N 287.363 1.407 0 50 CDAA CN1C(N)=NC(=O)/C1=C/c1c(O)ccc2ccccc12 19843063 KTBKLVFIXJVFQX-WQLSENKSSA-N 267.288 1.673 0 50 CDAA CC(C)OCCCNC(=O)c1ccc2c(c1)OCO2 2876205 CBILBNCYIJDFDL-UHFFFAOYSA-N 265.309 1.960 0 50 CDAA CCOC(=O)O[C@H](C)CNC(=O)[C@@H](C)OC(=O)OCC 1871171 HKRYSUXRVIVJTP-RKDXNWHRSA-N 291.300 1.226 0 50 CDAA O=C(Cc1ccncc1)N[C@H]1CCCOC12CCNCC2 1857682978 NTRUBTDFNVIEMJ-AWEZNQCLSA-N 289.379 1.042 0 50 CDAA COc1ccc(C(=O)N2CCOCC2)c(OC)c1 432246 XQZNKJRFTGYVDR-UHFFFAOYSA-N 251.282 1.176 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cnc(C)cn1 229712154 BVEIEYCGEHWPQZ-DJIHRAIXSA-N 289.335 1.103 0 50 CDAA Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nc[nH]n2)c1F 123880555 WBMXOSLJVQCONQ-QMMMGPOBSA-N 291.286 1.068 0 50 CDAA COc1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 12420041 IZIUAPHQUZQLQD-MELADBBJSA-N 295.379 1.544 0 50 CDAA N=c1ccc2c(N3CC[C@@]4(CCCOC4)C3)ncnc2[nH]1 343154576 FBMVHPVZPBUAHB-HNNXBMFYSA-N 285.351 1.444 0 50 CDAA COCc1ccc(C(=O)N[C@H](C(=O)O)[C@H]2CCCOC2)o1 262803429 OKRAEGVJPXAGIX-CABZTGNLSA-N 297.307 1.036 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)Nc1cc[nH]n1 1650376407 NXIHCETWWFQBQS-CQSZACIVSA-N 272.308 1.157 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CCO[C@H]2C2CC2)nc(O)n1 904165492 XHTGWWRMFCBIGH-KOLCDFICSA-N 263.297 1.244 0 50 CDAA C[C@H](N)C(=O)NC[C@@H](O)c1cccc2ccccc12 852851028 WUBSPOLFDNEMRD-IINYFYTJSA-N 258.321 1.337 0 50 CDAA COC[C@@H](C)C(=O)Nc1cc(C(=O)O)ccc1C 120210943 JAICDBYTKIGRNL-SECBINFHSA-N 251.282 1.914 0 50 CDAA Cc1ccccc1NC(=O)CSc1nc(O)cc(=O)[nH]1 5061383 JKHHERSSLZBUQB-UHFFFAOYSA-N 291.332 1.515 0 50 CDAA O[C@@H]1CN[C@@H](c2nc(Cc3ccccc3Cl)no2)C1 158496652 NTSSCQZJJLLOKN-GXSJLCMTSA-N 279.727 1.709 0 50 CDAA Cc1nscc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)O 262990346 OATFTSJYLWENGO-NGZCFLSTSA-N 280.349 1.777 0 50 CDAA Cc1n[nH]c(CN2CCC[C@@H]2Cn2ccnc2C)n1 292645869 ZXXQINNXBFWURY-GFCCVEGCSA-N 260.345 1.283 0 50 CDAA Cc1nnc(CN2CCN(C(=O)C3CCC3)CC2)s1 299799658 UKEPDJOEXGIVSK-UHFFFAOYSA-N 280.397 1.291 0 50 CDAA CC[C@@H](C(=O)O)N1CCCN(CC(F)(F)F)CC1 191428250 ZXPXBRQRKZXRAO-VIFPVBQESA-N 268.279 1.420 0 50 CDAA O=C(NC[C@@]1(O)CCCNC1)c1sccc1Cl 534657472 MXTIWCIKGKDWOA-LLVKDONJSA-N 274.773 1.246 0 50 CDAA CCCc1noc(CN(C)Cc2cnc(C)cn2)n1 670468738 SIBBWVBGUJWVCB-UHFFFAOYSA-N 261.329 1.753 0 50 CDAA CN(CCc1ncc[nH]1)C[C@H]1COc2ccccc2O1 823690354 WHXQHLNCGHIYSM-LBPRGKRZSA-N 273.336 1.724 0 50 CDAA CNS(=O)(=O)C1CCN(CC2CC3(CCC3)C2)CC1 878093859 OLBVXYFSCPIRFM-UHFFFAOYSA-N 286.441 1.580 0 50 CDAA O=C1C[C@@H](c2ccc(-c3cnc4c(=O)[nH]ccn34)cc2)CN1 2100556731 GFZFDIXEXCCVGT-GFCCVEGCSA-N 294.314 1.293 0 50 CDAA CN(Cc1cnn(C)c1)C1=NC[C@@H](c2ccccc2)N1 2325771417 OMWSDOBYRYUQTO-AWEZNQCLSA-N 269.352 1.552 0 50 CDAA NCCN(Cc1ccccc1)C(=O)[C@@H]1CCOC(=O)CC1 2325778984 YTAMBSZKLTYXMI-AWEZNQCLSA-N 290.363 1.317 0 50 CDAA Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N=C(N)S2)c1 169857 JIHXGZUZWRQGTM-JTQLQIEISA-N 277.349 1.589 0 50 CDAA CC(=O)OCc1cc(C(C)=O)ccc1OC(C)=O 248662 FMKMEWWKBLDKST-UHFFFAOYSA-N 250.250 1.878 0 50 CDAA in-vitro COC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F 2516186 ZYMGRJXIRUWDLX-VIFPVBQESA-N 275.226 1.449 0 50 CDAA O=C1N(CCO)CCC[C@]12CCCN2Cc1cncs1 2356151399 GYHWOOHEFJQWOW-AWEZNQCLSA-N 295.408 1.092 0 50 CDAA COC(=O)c1cccc(Nc2nc(C)cc(=O)[nH]2)c1 4368113 AKWIPSXPQIMQCU-UHFFFAOYSA-N 259.265 1.609 0 50 CDAA Cc1ccc(C)c(OC[C@@H](O)CN2CCO[C@@H](C)C2)c1 229275466 CEKRDWMRKJFESI-GJZGRUSLSA-N 279.380 1.764 0 50 CDAA OC1(CNCc2ccc(-n3ccnc3)cc2)CCOCC1 112717146 QHNUFPIZWWFEPF-UHFFFAOYSA-N 287.363 1.503 0 50 CDAA CCCn1nnc(NC(=O)c2ccc(OC)c(OC)c2)n1 9142066 DNKAQLDHAFPZTF-UHFFFAOYSA-N 291.311 1.353 0 50 CDAA Cc1ccc(N2CCC[C@H](N[C@H]3C[C@H](C)OC3=O)C2)nn1 247948237 XGCUWEVGAAINFE-AVGNSLFASA-N 290.367 1.047 0 50 CDAA CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1Cn1cccn1 248165668 ZOZQWRVBAGWUQO-UONOGXRCSA-N 276.384 1.358 0 50 CDAA c1cnc(N2CCN(Cc3noc4c3CCCC4)CC2)cn1 20110115 JRBOOLNYDBUCTP-UHFFFAOYSA-N 299.378 1.666 0 50 CDAA O=C(Cc1cccs1)N[C@H]1CCc2cn[nH]c2C1 170204661 CQPLDVMHXDSZIP-JTQLQIEISA-N 261.350 1.687 0 50 CDAA C[C@H](Sc1ccccc1)C(=O)NCCN1CCOCC1 20513229 PHTDTMVIXLSRMZ-ZDUSSCGKSA-N 294.420 1.616 0 50 CDAA CC1=C(C(=O)NCCOc2ccccc2)[C@@H](C)NC(=O)N1 67973580 JKWXGWGNMMJUEK-SNVBAGLBSA-N 289.335 1.157 0 50 CDAA CN(C(=O)Cc1c[nH]c2ncccc12)[C@H]1CCOC1 119456048 HCFAXWTVMBLCIR-NSHDSACASA-N 259.309 1.353 0 50 CDAA C[C@@H](CNC(=O)[C@H](C)n1cncn1)N1CCC[C@@H](C)C1 229381282 MLRKAFFEDNURRX-AGIUHOORSA-N 279.388 1.076 0 50 CDAA COC(=O)[C@H]1C[C@H]2C(=O)CC[C@@H]1N2C(=O)OC(C)(C)C 35287508 QOQYWBMVVBXIND-GUBZILKMSA-N 283.324 1.517 0 50 CDAA Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)Cc2ccon2)o1 331384131 GRRWTMJZSMECHX-JQWIXIFHSA-N 295.318 1.415 0 50 CDAA CCOCCN1CCC=C([C@@H](C)N(C)C(C)=O)C1 65460096 HZEWZJSMXZJECA-GFCCVEGCSA-N 254.374 1.522 0 50 CDAA C[C@H]1CC[C@@H](C)N1C(=O)c1cc(CN2CCOCC2)on1 67805823 AXOSXIQTBUYZPZ-TXEJJXNPSA-N 293.367 1.520 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CNCCO2 66054966 FRROFBJYHIEDPS-UHFFFAOYSA-N 256.346 1.376 0 50 CDAA in-vitro Cc1n[nH]c2c1[C@H](c1cnn3cccnc13)CC(=O)N2 65422035 WPBVUXUUSAGKHG-QMMMGPOBSA-N 268.280 1.235 0 50 CDAA CC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)O 35686337 MXAXGHDNORHDSJ-LLVKDONJSA-N 290.319 1.780 0 50 CDAA CCCCc1nnc(SC[C@H]2CCCC[C@H]2O)n1N 253424195 BOPNDUNXUVTQLM-GHMZBOCLSA-N 284.429 1.978 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1c1nc(C2CC2)no1 329022525 MOJAMQWOQFDTBT-NXEZZACHSA-N 260.297 1.926 0 50 CDAA COc1ccc(CC(=O)N2CC[C@@H](O)C2(C)C)c(F)c1 361149562 LAOPEJNWCGWSMZ-CYBMUJFWSA-N 281.327 1.749 0 50 CDAA Cc1cnn(C2(C(=O)O)CCN(C(=O)NC(C)C)CC2)c1 72428985 ZAKCMOVBLRYWTL-UHFFFAOYSA-N 294.355 1.185 0 50 CDAA CNC(=O)C[C@H](NC(=O)c1cnccc1C)c1ccccc1 362154456 HKBJLAQWCOWHEX-HNNXBMFYSA-N 297.358 1.997 0 50 CDAA Cc1noc([C@@H]2CN(Cc3cnoc3C)CCN2C)n1 331926141 ZXWHJEMTDSPJKU-LBPRGKRZSA-N 277.328 1.163 0 50 CDAA COc1ccc([C@@H](N)C(=O)O)cc1Br 38052325 YUBQGLKBIWHTOC-MRVPVSSYSA-N 260.087 1.542 0 50 CDAA CC(=O)c1cccc(CN2CCC[C@](O)(CO)CC2)c1 72140349 FRLQZZSQTGSIRM-MRXNPFEDSA-N 277.364 1.599 0 50 CDAA O=C(Cc1nc(-c2cnccn2)n[nH]1)NCc1ccccc1 32616721 TUIAJFMNEYQQRL-UHFFFAOYSA-N 294.318 1.121 0 50 CDAA CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 72152374 UCHZOFZGBCEQMN-IAOVAPTHSA-N 286.375 1.907 0 50 CDAA CC(C)n1ccc(=NC(=O)N[C@@H](C)[C@@H]2CCCCO2)[nH]1 333229876 GKPPJUOBJSOSOH-RYUDHWBXSA-N 280.372 1.965 0 50 CDAA CC[C@H]1COCCN1C(=O)CCc1ccc(C(=O)O)cc1 237040745 PZJYSFSVJPETIE-AWEZNQCLSA-N 291.347 1.955 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](N)C1 158378513 PTSBUUGGWDOEIG-SECBINFHSA-N 284.791 1.760 0 50 CDAA Cc1nc[nH]c1-c1nccn1[C@H](C)c1cnn(C)c1 71415562 QLNAONORZHBMPH-SNVBAGLBSA-N 256.313 1.924 0 50 CDAA Cc1ncoc1C(=O)N1CCC[C@H](CCC(=O)O)C1 159339350 QQEXOPNJKPYWHO-SNVBAGLBSA-N 266.297 1.700 0 50 CDAA CC(C)c1n[nH]cc1C(=O)N1CCC[C@H]2CN(C)C[C@H]21 335107240 BKRXGETVFAAYNC-WCQYABFASA-N 276.384 1.699 0 50 CDAA COC[C@]1(C(=O)O)CCCN(C(=O)C(C2CC2)C2CC2)C1 263042268 ZSJFBNHRMPVJPY-INIZCTEOSA-N 295.379 1.762 0 50 CDAA CCC[C@@H](NC(=O)c1cc(C)nc(Cl)c1)c1nnn[nH]1 130728099 SAZMXDCPSCSONL-SECBINFHSA-N 294.746 1.828 0 50 CDAA Cc1noc(CCCC(=O)Nc2nnc(C)n2C2CC2)n1 285800626 QHLVWCWMRHJNCP-UHFFFAOYSA-N 290.327 1.574 0 50 CDAA CN(Cc1nnc2n1CCC2)[C@H]1Cc2ccccc2[C@H]1O 239882249 DASBTRUGNFYNKV-XJKSGUPXSA-N 284.363 1.314 0 50 CDAA CCc1c(C)nn(CCNC(=O)[C@H](C)OC(C)C)c1C 426627890 ZHPHSPMUIUFRHI-ZDUSSCGKSA-N 281.400 1.992 0 50 CDAA CSc1ccc(C(=O)NC[C@@H]2CCC(=O)N2)cc1 223410877 CSIKUYHRZGNMNQ-JTQLQIEISA-N 264.350 1.417 0 50 CDAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@H]1CCCO1 222586999 OHMJEJJARRYHFV-CQSZACIVSA-N 287.319 1.874 0 50 CDAA Cc1nnsc1C(=O)N1Cc2ccccc2[C@H](O)C1 82121306 GULHGQLREIGFRI-LLVKDONJSA-N 275.333 1.536 0 50 CDAA COCCc1nc(CNC(=O)c2ccc(C)s2)no1 220749510 IMGQRZUSNAHLAV-UHFFFAOYSA-N 281.337 1.558 0 50 CDAA Cc1nn([C@@H](C)C(=O)N(C)C)c(C)c1Br 41367526 XMFFHMFPPQKPGZ-QMMMGPOBSA-N 274.162 1.912 0 50 CDAA CCOc1nc2ccc(C(=O)N3CCC34COC4)cc2[nH]1 615923492 NIZRYGLWIHTIJW-UHFFFAOYSA-N 287.319 1.577 0 50 CDAA Cc1ccn2c(C(=O)N3CCc4sccc4C3)nnc2n1 426684011 XUEJJOSVJYLWMK-UHFFFAOYSA-N 299.359 1.693 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cc(F)cc3[nH]cnc23)C1 178961689 MLASRKWAKPVZGM-SECBINFHSA-N 276.315 1.384 0 50 CDAA COC[C@@H](N)C(=O)N1CCC(Oc2ccccc2C)CC1 82092213 VAGLGYGNZIRNFT-CQSZACIVSA-N 292.379 1.339 0 50 CDAA O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2ncon2)C1 426434145 RAOGXUNNOOJOSW-SECBINFHSA-N 287.323 1.301 0 50 CDAA Cc1nc2ccc(CNC(=O)[C@@H](C)N(C)C)cc2[nH]1 426510464 VOOVOSMUXJWXMV-SECBINFHSA-N 260.341 1.438 0 50 CDAA C[C@H](Cc1cccnc1)NC(=O)NC1(C(N)=O)CCCC1 426669164 UNFYORBDIXJFHI-LLVKDONJSA-N 290.367 1.110 0 50 CDAA Cc1nn(C)c(-c2nc(-c3cccnn3)no2)c1Cl 95524594 GGMIJFXWRPHGTK-UHFFFAOYSA-N 276.687 1.889 0 50 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952986115 YMRJZZPAIFNPDR-LBPRGKRZSA-N 282.384 1.480 0 50 CDAA CC[C@H](C(=O)N(C)Cc1cc(C)on1)N(C)CC 952979244 ZPOUSNGFBUOMAX-GFCCVEGCSA-N 253.346 1.672 0 50 CDAA C[C@H](CC(N)=O)N(C)C(=O)c1cccc2c1CCC2=O 952988219 QBBRXBLZAMPLQT-SECBINFHSA-N 274.320 1.151 0 50 CDAA CCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 528870 JMNQSESZECNDHQ-UHFFFAOYSA-N 294.332 1.742 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CC2=CCCOC2)C1 888079337 XTHABMCUUWYNDI-CHWSQXEVSA-N 263.341 1.518 0 50 CDAA NC(=O)N1CCN(c2nc3cccc(F)c3o2)CC1 1333694188 UVQCHGPBZIFBAR-UHFFFAOYSA-N 264.260 1.168 0 50 CDAA O=C1NCCN1C1CN(c2cc(C3CC3)nc(C3CC3)n2)C1 893848206 KLMACGAVSVVALV-UHFFFAOYSA-N 299.378 1.445 0 50 CDAA CC(C)(C)OC(=O)N1CC(n2cnnc2S)C1 1775954837 OADWBTFZXDSRGZ-UHFFFAOYSA-N 256.331 1.359 0 50 CDAA CO[C@@H]1[C@@H](F)CC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 1531865409 KFICXBXJXVWQMT-XHNCKOQMSA-N 277.292 1.781 0 50 CDAA O=C(Nc1ccc(-c2ccccc2)cc1)N[C@H]1CNC[C@@H]1O 1565508918 XPFOQIWSQBGKMQ-HOTGVXAUSA-N 297.358 1.808 0 50 CDAA CC(C)(C)OC(=O)NCCCCCCN1C(=O)C=CC1=O 83254014 HITIWLKYYJATIN-UHFFFAOYSA-N 296.367 1.997 0 50 CDAA in-vitro CCN(CCN1CCCC1)C(=O)CCc1cn[nH]c1 1506425949 SPWTZXTUQHCONL-UHFFFAOYSA-N 264.373 1.287 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CO[C@H](CO)C2)C1 95698554 QFZWHSBESNSOMV-FZMZJTMJSA-N 271.357 1.785 0 50 CDAA in-vitro CC[C@H]1OCCC[C@@H]1C(=O)NCc1cccn1C 408474373 SXFHVVZDODNAPE-QWHCGFSZSA-N 250.342 1.847 0 50 CDAA Cc1cc(N2CC[C@@H](N3CCCCCC3)C2=O)n(C)n1 170007596 ZUKWMVBCLYNGNA-CYBMUJFWSA-N 276.384 1.710 0 50 CDAA O=C(O)[C@@H](C1CC1)N1CC[C@@H](CNc2ccccn2)C1 635015912 IATSHRQHCNHNMG-SMDDNHRTSA-N 275.352 1.679 0 50 CDAA C[C@@H]1CC(=O)N[C@H](C(=O)NC2C(C)(C)C2(C)C)C1 551706141 OVDMUVGGOPRTAF-IUCAKERBSA-N 252.358 1.452 0 50 CDAA CCn1ccnc1[C@H](C)NC(=O)c1ccc(C(N)=O)cc1 585087672 FNICBZDDZLQMQS-JTQLQIEISA-N 286.335 1.493 0 50 CDAA C[C@H](c1cnn(C)c1)c1nc(-c2ccnn2C)no1 585120438 NUWIRGMHFAZMJY-MRVPVSSYSA-N 258.285 1.355 0 50 CDAA NC(=O)C[C@@]1(O)CCCN(c2nc3ccccc3o2)C1 643714140 LTCKWNIXGHULJY-AWEZNQCLSA-N 275.308 1.035 0 50 CDAA CC(C)CN1CCO[C@@H](CNc2ncnc(N)c2Cl)C1 192268920 LWJMQQWRERJTGM-JTQLQIEISA-N 299.806 1.481 0 50 CDAA NC(=O)c1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)o1 565659642 GGTJUIXEHQMQFF-CYBMUJFWSA-N 298.342 1.800 0 50 CDAA O=C(O)[C@H](Cc1ccncc1)NC(=O)[C@H]1CC=CCC1 655600324 CQJXTEFDROHWJP-STQMWFEESA-N 274.320 1.550 0 50 CDAA C[C@@H]1CN(Cc2nnc([C@@H]3CCCOC3)o2)C[C@]1(C)CO 662143653 PYCGHAHILSAYJA-LALPHHSUSA-N 295.383 1.414 0 50 CDAA COc1ccnc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)n1 574911980 KUNOZFGOVZVGBP-OLZOCXBDSA-N 283.331 1.905 0 50 CDAA Cn1nccc1[C@@H]1CCC[C@H](NC[C@H]2CNCCCO2)C1 576626869 LSRFKQVEIWHLLC-QLFBSQMISA-N 292.427 1.414 0 50 CDAA CN(C)c1nccc(N2CCC[C@@H](c3ccnn3C)C2)n1 577329115 OMYZRHRGVUSVPY-GFCCVEGCSA-N 286.383 1.660 0 50 CDAA C[C@@H]1CCCCN1CCN(C)c1cncc(C(=O)O)n1 1529095222 OYLUYTXICSDVQH-LLVKDONJSA-N 278.356 1.485 0 50 CDAA C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)[C@H]1CN 252114539 IHMZNNHJCBLYEU-YPMHNXCESA-N 268.382 1.435 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1ccc(C)o1 643762740 GZAJPPMWEJZQLG-ZDUSSCGKSA-N 252.314 1.054 0 50 CDAA CC(C)S(=O)(=O)c1ccc(Cn2ccnn2)cc1 128078723 KXRRXDWCCLMXFR-UHFFFAOYSA-N 265.338 1.509 0 50 CDAA Cn1nncc1CN=[S@@](C)(=O)c1ccccc1 1875274955 GALGOMBAVFOBOG-KRWDZBQOSA-N 250.327 1.472 0 50 CDAA Cc1cc(=O)cc(O)n1CCC(=O)Nc1ccccn1 1547208586 SOVRCIIZENTLKQ-UHFFFAOYSA-N 273.292 1.286 0 50 CDAA CCOC(=O)n1c(=O)[nH]cc(-c2ccccc2)c1=O 398315 IBROSTIVYNSZBB-UHFFFAOYSA-N 260.249 1.208 0 50 CDAA O=C1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1 814408 UTVUJCAHSHFXCQ-UHFFFAOYSA-N 288.328 1.834 0 50 CDAA CC1(O)CCC(NC(=O)c2ncoc2C2CC2)CC1 1615557924 PRQRXTPIVWTGFO-UHFFFAOYSA-N 264.325 1.975 0 50 CDAA CCc1cc(O)nc(NC(=O)C2(SC)CC2)n1 1615550682 LOVJVUWEEGJRKS-UHFFFAOYSA-N 253.327 1.579 0 50 CDAA CC1(C)OC[C@H]2C[C@]21NC(=O)c1cnn2ccc(N)cc12 1615546161 KHGZNYTYPHGNEU-PSLIRLAXSA-N 286.335 1.214 0 50 CDAA O=C(Nc1cc(-c2cccs2)on1)N(CCO)CCO 1615055012 FYIBEESOYZDRJJ-UHFFFAOYSA-N 297.336 1.222 0 50 CDAA Cc1ccc(Cl)cc1CNC(=O)[C@H](O)c1cnn(C)c1 1615907684 YZDMKXAAXCGGPZ-CYBMUJFWSA-N 293.754 1.732 0 50 CDAA C=C=CCNS(=O)(=O)[C@@H]1CCc2ccccc2[C@@H]1OC 1615996602 MSLAYIUFBVSLAJ-CABCVRRESA-N 293.388 1.949 0 50 CDAA Cc1ccnc(SCC(=O)Nc2nccs2)n1 462488 XCZNXUUVPWWUNN-UHFFFAOYSA-N 266.351 1.972 0 50 CDAA Cc1nnsc1CN1C[C@H](C(=O)O)[C@@H](C2CC2)C1 1616104689 VSKJTZVNKFLDHS-ZJUUUORDSA-N 267.354 1.389 0 50 CDAA NCCCCNS(=O)(=O)c1ccc2ccccc2c1 2169536 BUGAJERDTXSWQA-UHFFFAOYSA-N 278.377 1.857 0 50 CDAA in-vitro CCc1cnc(N)nc1NC[C@@H]1CC2(CCNCC2)CO1 1772705611 YWVPNKPXSZJBGY-LBPRGKRZSA-N 291.399 1.192 0 50 CDAA Cc1cccnc1CN(C)C[C@H]1CCC(=O)N(C)C1 1772815339 GZBZYYMFDPKZII-CYBMUJFWSA-N 261.369 1.690 0 50 CDAA CN(C)c1ncccc1CNC(=O)c1n[nH]c2ccccc12 12431997 ATVWTAPSQQGOJG-UHFFFAOYSA-N 295.346 1.954 0 50 CDAA NC[C@@H](Cc1ccc(Br)cc1)C(=O)O 16696846 GKIMDBLWVUDOQG-MRVPVSSYSA-N 258.115 1.651 0 50 CDAA Cc1cnc(C(=O)NCCCn2ccnc2C)cn1 19794497 AJTHDOQLDRLIPO-UHFFFAOYSA-N 259.313 1.110 0 50 CDAA CCOC(=O)c1nn2c(nc1C)nc1ccccc12 169681386 ABXYWPHCVOEMOC-UHFFFAOYSA-N 256.265 1.763 0 50 CDAA COP(=O)(OC)[C@]1(O)C(=O)Nc2ccccc21 2939387 KQLBAOVWFGJPDM-JTQLQIEISA-N 257.182 1.270 0 50 CDAA Cc1nnc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)o1 225501054 TVMKEGUFIQOYGS-GWCFXTLKSA-N 295.289 1.964 0 50 CDAA C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)OCC1CC1 225663946 DROKMTNZPZOKJN-MRXNPFEDSA-N 289.331 1.347 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)CCCc1ccccn1 238065374 DFTULXCZHJDPQX-GFCCVEGCSA-N 262.309 1.480 0 50 CDAA O=C1N=C(O)C2(CCN(Cc3ccccc3)CC2)N1 19256058 ISFXLJGTXHSNDU-UHFFFAOYSA-N 259.309 1.701 0 50 CDAA in-vitro CC(C)c1ccoc1C(=O)Nc1ccn(CC(=O)O)n1 263212578 WXHFBJWJFLQNPK-UHFFFAOYSA-N 277.280 1.936 0 50 CDAA Cn1nncc1CNc1nccn2nc(C(F)(F)F)cc12 394960598 PMRGCWFVOXHAAU-UHFFFAOYSA-N 297.244 1.489 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)[C@@H](C)c1cccc(O)c1 901052559 OXGPYUNEMLSTQR-LBPRGKRZSA-N 290.363 1.946 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CC[C@@H](OCC(C)C)C1 901040810 PQUKLBQAZJBRFR-CYBMUJFWSA-N 282.384 1.294 0 50 CDAA C[C@H](CC(N)=O)N[C@H]1C[C@]2(CCNC2)Oc2ccccc21 902506543 YFPYKHWVEHACLX-FFSVYQOJSA-N 289.379 1.096 0 50 CDAA C[C@@H](CN1CCC(c2ncco2)CC1)S(C)(=O)=O 931446897 WJEVOALQQMOSBE-JTQLQIEISA-N 272.370 1.287 0 50 CDAA NC(=O)[C@@H]1CCC[C@H](Nc2cc(Cl)nc(O)n2)C1 858418321 QAKQRNSICGVBON-RQJHMYQMSA-N 270.720 1.292 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)CN2C[C@@H]3CCC[C@H]32)C1 230169086 HHERRFZGXGBAHR-RFQIPJPRSA-N 250.386 1.975 0 50 CDAA O=C(CCOc1ccccc1)N1CC[C@H]2CC[C@@H](C1)N2 127584864 KGZNZBNKLHVOJT-KGLIPLIRSA-N 274.364 1.808 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@@H]2CC23CCOCC3)[C@@H]1CN 237416803 QSDXMSJZSSORFA-FRRDWIJNSA-N 266.385 1.389 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2N[C@H]1CCOC1 400407047 RYTACOJJKPJTML-RHYQMDGZSA-N 268.357 1.373 0 50 CDAA OC1(CN2CCC[C@@H](Cn3cncn3)C2)CCCC1 407951035 OEFIKMIJAZATEL-CYBMUJFWSA-N 264.373 1.295 0 50 CDAA O=C(NCCc1cnn[nH]1)[C@H]1Cc2ccccc2S1 426409236 YDKMSWZLRYOHCM-GFCCVEGCSA-N 274.349 1.180 0 50 CDAA Cc1ccccc1[C@@H]1CN(Cc2cnn(C)n2)CCO1 368591595 HXKYCXDXACOPGE-HNNXBMFYSA-N 272.352 1.697 0 50 CDAA Cc1conc1C(=O)N1CC[C@H]2CC[C@H](O)[C@H]1C2 721575030 CJJXPLAXBOOVEU-MXWKQRLJSA-N 250.298 1.359 0 50 CDAA FC(F)Cn1nccc1CN1CCNC[C@@H]1c1cn[nH]c1 2325800707 CLQXQQJGPSNGFL-GFCCVEGCSA-N 296.325 1.018 0 50 CDAA NC1(CCC(=O)Nc2ccc(O)c(C(=O)O)c2)CC1 2325850986 MKGWHIOOACPNLW-UHFFFAOYSA-N 264.281 1.300 0 50 CDAA CC1(C)C(=O)NCCN1C(=O)CC[C@@H](N)c1ccccc1 110665773 BNSQGJXAROFQDL-CYBMUJFWSA-N 289.379 1.204 0 50 CDAA O=C(C[C@@H]1SCCNC1=O)Nc1ccc(Cl)cc1 52841 PKOSTNQTHPKEQK-JTQLQIEISA-N 284.768 1.900 0 50 CDAA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 309738 YDMXHEZEWZALFD-UHFFFAOYSA-N 294.376 1.820 0 50 CDAA NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2 311702 ZSIZQLUODWGPIY-UHFFFAOYSA-N 284.271 1.767 0 50 CDAA O=C1OC[C@H]2CN(Cc3cnc(N4CCCC4)s3)C[C@@H]12 2356137005 OAMWKMMDXZHHFD-ZYHUDNBSSA-N 293.392 1.348 0 50 CDAA CC(C)C[C@@H]1C[C@](C)(C(=O)CNc2nncs2)OC1=O 2828621 MYHRNAIZIKEEDA-NOZJJQNGSA-N 297.380 1.887 0 50 CDAA CCN(CCc1ccccn1)C(=O)CCN1CCCCO1 55072361 ZQPQANXDBYIJQJ-UHFFFAOYSA-N 291.395 1.890 0 50 CDAA CC(C)n1cc(C(=O)Nc2nc[nH]n2)c2ccccc2c1=O 170622892 NFFJVBQRWSQKHX-UHFFFAOYSA-N 297.318 1.953 0 50 CDAA CCN(CCN1CCCCCC1)C(=O)C[C@@H]1CNCCO1 55107415 OPRHOWLTJSIPKS-OAHLLOKOSA-N 297.443 1.089 0 50 CDAA CCn1ccnc1C(=O)Nc1ccc(-n2ccnn2)cc1 346313836 XTVNSVHBTHLYLY-UHFFFAOYSA-N 282.307 1.736 0 50 CDAA Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H](C(N)=O)C1 136109571 GEWVTBYBJBSQNT-JTQLQIEISA-N 278.356 1.179 0 50 CDAA CCCN1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 20595162 OHSXRSNFVWIGEL-UHFFFAOYSA-N 297.349 1.931 0 50 CDAA Cc1cc(C)n(NC(=O)COc2ccc(F)cc2)c(=O)c1 67967044 PWAZLQDNGKEMOC-UHFFFAOYSA-N 290.294 1.753 0 50 CDAA CC[C@H](NC(=O)C1(COC)CCC1)c1ccnn1C 65399027 IXRZTFGCMTYOIQ-NSHDSACASA-N 265.357 1.804 0 50 CDAA C[C@H](Cn1cncn1)NCc1noc(C2CCCC2)n1 67757687 QBEXDXTUSQGGGI-SNVBAGLBSA-N 276.344 1.497 0 50 CDAA O=C(O)CC[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1 56968 AYOCGDFDOZVEKT-LLVKDONJSA-N 293.275 1.373 0 50 CDAA CC(C)NC[C@@H](O)COc1ccc2[nH]cc(CCN)c2c1 196449 ZSLHLIONVFHYSW-CYBMUJFWSA-N 291.395 1.407 0 50 CDAA biogenic Cn1cc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)cn1 230092274 HRMCKAMTGXBYKL-WCQYABFASA-N 283.397 1.763 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C2CC2)C1 67800984 FLELTYIKYDOJJD-SNVBAGLBSA-N 254.330 1.522 0 50 CDAA Cc1cn2c(n1)[C@H](CNC(=O)/C=C/CN(C)C)CCC2 371301751 WCSORORXEJKZNA-IYNGYCSASA-N 276.384 1.303 0 50 CDAA C[C@H]1CN(C(=O)/C=C/c2ccc(C(N)=O)cc2)C[C@@H](C)N1 153778113 GSPWYVLLIBZYJE-YFHYCDLPSA-N 287.363 1.008 0 50 CDAA COC(=O)C[C@H]1CN(CCN2C[C@@H](C)C[C@@H](C)C2)CCO1 319166467 ZCCWBQSAUSLBNX-ZNMIVQPWSA-N 298.427 1.228 0 50 CDAA CC(C)c1nccc(CN2CCOC[C@H]2CC(=O)O)n1 72129798 RALKGVHBIQNNAF-GFCCVEGCSA-N 279.340 1.276 0 50 CDAA Cn1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)ccc1=O 215639806 DNGHFQNRCCZKBQ-LLVKDONJSA-N 286.335 1.128 0 50 CDAA C[C@H]1CN(C(=O)c2cnc3[nH]c(O)nc3c2)CCC1(F)F 329590974 TZQIZFSTBKXQLT-ZETCQYMHSA-N 296.277 1.781 0 50 CDAA CCCCc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 71439344 GBYCCXJIEUFNOW-NSHDSACASA-N 297.424 1.690 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2 329646007 ITNCSBIQBVZKEQ-OBJOEFQTSA-N 277.368 1.331 0 50 CDAA O=C(c1cncnc1)N1CCC[C@@H](OCC2CC2)C1 330337036 ZTIDGSPKGOROSP-CYBMUJFWSA-N 261.325 1.508 0 50 CDAA CCO[C@@H](C)C(=O)N=c1cc(C)n([C@@H](C)CC)[nH]1 330689564 PODPQBGEGKBIMV-ONGXEEELSA-N 253.346 1.948 0 50 CDAA COC(=O)N[C@@H](C)C(=O)NCc1c(C)cc(C)nc1OC 219679290 UZXLDMVUTUOTSS-JTQLQIEISA-N 295.339 1.068 0 50 CDAA Cc1nccn1CC(=O)NC[C@H]1CCC(C)(C)O1 331353769 PDMYYSYERFPNNO-LLVKDONJSA-N 251.330 1.265 0 50 CDAA CO[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](CCO)CC1 331440221 KFAIIPQWWFJXRT-MGPQQGTHSA-N 284.400 1.748 0 50 CDAA Cc1cccc(CNC(=O)C[C@H](C)N2CCOCC2)n1 219827072 UEMKQPFEMQTVBV-ZDUSSCGKSA-N 277.368 1.117 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCNC2)C1(C)C 262636969 XKZFGBJIOBZSNT-SDDRHHMPSA-N 254.374 1.258 0 50 CDAA Cc1nc(CC2CCN(Cc3ncc[nH]3)CC2)no1 215140199 BEXZOLFDTFLFCA-UHFFFAOYSA-N 261.329 1.556 0 50 CDAA CCCc1cccc(CN2CCO[C@H](C)[C@H]2C(N)=O)c1 284557322 IEYGKJXHSHAOMR-DOMZBBRYSA-N 276.380 1.714 0 50 CDAA Cc1[nH]c2c(C(=O)N[C@@H]3CCOC[C@H]3O)cccc2c1C 219615207 IIOAFHOCOKDJRL-ZIAGYGMSSA-N 288.347 1.664 0 50 CDAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCC1(C(=N)O)CCOCC1 333356901 WUGQDRJPPKYPPI-TUAOUCFPSA-N 282.384 1.722 0 50 CDAA CNC[C@@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 237195370 LCUOTMBKUKPJBR-UZYOAWRESA-N 259.353 1.553 0 50 CDAA CNC[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 237259354 GXEIWYUVAWZVJO-AWEZNQCLSA-N 298.390 1.944 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCCO1 286072353 GSMCOVRMRJHQAW-GHMZBOCLSA-N 265.313 1.052 0 50 CDAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1cccc(F)c1 131758372 PTDFYQYAVUWMFG-MWLCHTKSSA-N 272.345 1.326 0 50 CDAA O=C(NCc1ccn2ccnc2c1)N[C@H]1CCCOC1 177959033 GVOAEDMVHMIIFV-LBPRGKRZSA-N 274.324 1.313 0 50 CDAA Cc1nccn1CCN=c1cc([C@H]2CCOC2)nc[nH]1 426623395 ZGUMCGHHTYFQLW-LBPRGKRZSA-N 273.340 1.019 0 50 CDAA CCCCOc1ccc(S(=O)(=O)NCCO)cc1C 41096097 OOXCRRHDVVYSSF-UHFFFAOYSA-N 287.381 1.445 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1CC[C@H](CN)C1 178531749 ANTDQFRNYKKBEN-LLVKDONJSA-N 262.357 1.323 0 50 CDAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)on1)C2 97499598 PVQMFRIEJSEPBD-NWDGAFQWSA-N 291.351 1.456 0 50 CDAA O=C(NC1(C(=O)O)CCC1)c1cnc(O)c(Cl)c1 426612921 SECYEIJKVWXGLR-UHFFFAOYSA-N 270.672 1.178 0 50 CDAA Cc1ccc(C)c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)c1 239235259 VQWFIKFFDQRBPN-AAVRWANBSA-N 287.315 1.896 0 50 CDAA CCN1CCC[C@H]1c1nc(-c2ccc(C)nn2)no1 95519324 KUTHMSJYUHBUHV-NSHDSACASA-N 259.313 1.992 0 50 CDAA Cc1nc(C)c(C(=O)N2CC[C@](C)(O)[C@H](C)C2)o1 91656883 PPXMHGVSUZWZSB-OQPBUACISA-N 252.314 1.524 0 50 CDAA CO[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)nn2C)C1 336221017 TZLQULKOERZTMW-CYBMUJFWSA-N 285.347 1.948 0 50 CDAA c1c([C@H]2CCOC2)nnn1CCc1nc2c(s1)CCC2 91644991 MZQUJXHXVQNVHD-JTQLQIEISA-N 290.392 1.970 0 50 CDAA CCc1nnc(N2CCC(N3CCOC3=O)CC2)o1 95381996 XKKORCKFCRFZCD-UHFFFAOYSA-N 266.301 1.053 0 50 CDAA O=C(O)CCn1cc(CN2CCO[C@@H]3CCCC[C@H]32)cn1 97732875 JSEGZHOABBGADZ-ZIAGYGMSSA-N 293.367 1.501 0 50 CDAA 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1.829 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](O)[C@@H](F)C1 1615707688 FLVOLGBLCQYCJA-QWRGUYRKSA-N 287.718 1.568 0 50 CDAA Cc1ccc(C[C@H](C)NC(=O)C2(N)CC(O)C2)c(C)c1 1616040901 ZRHQLEYQCHBIMF-YGONEPDPSA-N 276.380 1.203 0 50 CDAA OCC1(CO)[C@H]2CN(CCCCc3ccccc3)C[C@H]21 1772809601 YNSGJXRXHVBXCF-IYBDPMFKSA-N 275.392 1.542 0 50 CDAA COc1nc(N2CC(N3CCCC[C@@H]3C)C2)ncc1F 1772703412 MZSHECGKJLCJAQ-JTQLQIEISA-N 280.347 1.687 0 50 CDAA CCN(CC)c1ccc(NC(=O)c2ncn[nH]2)cc1 5686335 QYYUAGUQVGSTGM-UHFFFAOYSA-N 259.313 1.903 0 50 CDAA O[C@H]1CCCN(c2ncccc2CNCc2ccco2)C1 14959792 IACHBIDFTDFUJT-AWEZNQCLSA-N 287.363 1.926 0 50 CDAA COc1cccc(C[C@H]2CN(C(=O)CSC)CCO2)c1 15068647 KLOOWKJZFJQUHF-AWEZNQCLSA-N 295.404 1.828 0 50 CDAA O=C1NC(=O)C(c2ccc(Br)cc2)=C1O 19864926 XDDDFFNYDKKBML-UHFFFAOYSA-N 268.066 1.375 0 50 CDAA Cc1nc(-c2cccnc2N(C)C)n([C@H]2CCOC2)n1 1857672326 RIMNPRWNYALLDQ-NSHDSACASA-N 273.340 1.676 0 50 CDAA C[C@H]1CN2C[C@@H](NC(=O)c3ccc(Cl)cn3)C[C@H]2CO1 1857737380 KAARBOVRPUSTII-DLOVCJGASA-N 295.770 1.326 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(CC(N)=O)CC1 112871028 ZWYFWNXVWZITPY-OCCSQVGLSA-N 296.411 1.696 0 50 CDAA Cc1cccn(Cc2nc(-c3ccccn3)no2)c1=O 225412778 MFYCSDQGQZDXQP-UHFFFAOYSA-N 268.276 1.650 0 50 CDAA COc1ccc2c(c1)CCN(C(=O)c1nn(C)cc1C)CC2 334585967 LVNHLCRAFLDNQA-UHFFFAOYSA-N 299.374 1.978 0 50 CDAA CC(C)CC(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 910615859 AKPBJSASJCUPDI-IQLKVPPVSA-N 269.341 1.561 0 50 CDAA C[C@H](O)c1nnnn1Cc1cc(F)ccc1OC(F)F 853695160 RYNHMAUBCWERDO-LURJTMIESA-N 288.229 1.515 0 50 CDAA CN(CC1CCOCC1)C(=O)[C@H](N)c1ccccc1 111174124 OTRNAFNUWWHMOL-CQSZACIVSA-N 262.353 1.571 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)Cc2cccc(N)c2)C1(C)C 234786055 NOAGHWKHQVUBSD-QWHCGFSZSA-N 262.353 1.741 0 50 CDAA C[C@]1(C(=O)N2CCC(c3nnc[nH]3)CC2)CCCO1 127478361 VPXWTHZGGKXLNL-CYBMUJFWSA-N 264.329 1.080 0 50 CDAA COc1cccc(C(=O)NC2(C(=O)O)CCC2)c1F 237358463 RCIZVCAQAIQQHE-UHFFFAOYSA-N 267.256 1.571 0 50 CDAA CNC(=O)c1ccc(C)c(NC(=O)[C@H](N)CCSC)c1 130932977 DGXBYFYXSKMSCL-LLVKDONJSA-N 295.408 1.374 0 50 CDAA CC(C)N1CC[C@H](N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 253371003 ZIRKEUWASJAMDP-IGQOVBAYSA-N 252.402 1.872 0 50 CDAA Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)co1 263548180 VCSOCRXNMRGQKR-UHFFFAOYSA-N 277.280 1.857 0 50 CDAA Cc1cc(C(=O)NC[C@@](C)(O)C(F)(F)F)ccn1 279382127 GLYZCVRJKLYGFC-SNVBAGLBSA-N 262.231 1.433 0 50 CDAA Cn1cc(CN(Cc2ccc(CO)o2)C2CC2)cn1 65423959 OKCNZRHCSPGQIY-UHFFFAOYSA-N 261.325 1.670 0 50 CDAA CCCCOCC(=O)N1CCC[C@@]2(CCNC2)C1 67514257 QUBHRCGOXXCDKR-AWEZNQCLSA-N 254.374 1.405 0 50 CDAA NC(=O)c1ccc(CNC2CSCCSC2)cc1 534576217 SDHWTOMLWDXSGK-UHFFFAOYSA-N 282.434 1.724 0 50 CDAA CN(Cc1cn(C)nn1)Cc1nc(O)c2sccc2n1 547355394 UEAFAAMOZMZECD-UHFFFAOYSA-N 290.352 1.157 0 50 CDAA CCc1noc(C)c1CN1CCC[C@]1(COC)C(=O)O 643878911 GKZYPHVJWNJJPH-AWEZNQCLSA-N 282.340 1.611 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2cccc(O)n2)C1 584888423 IZAIRWOAGZSXDT-NSHDSACASA-N 264.325 1.676 0 50 CDAA CCCc1cc(CNS(=O)(=O)c2cnc(CC)[nH]2)on1 823020261 ASCLAASUGPYCFQ-UHFFFAOYSA-N 298.368 1.391 0 50 CDAA Cc1cc(CNC2(C(N)=O)CC2)n(C2CCCC2)n1 2325779443 DYBBQPORDVDQFK-UHFFFAOYSA-N 262.357 1.414 0 50 CDAA CC[C@@H](C)Oc1cccc(NC(=O)[C@H]2CCCN2)n1 2325796019 MGAXYNAFWSJNNX-GHMZBOCLSA-N 263.341 1.949 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CCc2onc(C(=O)O)c2C1 953095623 KRHCFWZVHSCXDC-ZETCQYMHSA-N 282.296 1.755 0 50 CDAA O=S(=O)(Nc1ccc(F)cc1)N1CCCCC1 141502 RWCQKDYEPAQWKE-UHFFFAOYSA-N 258.318 1.968 0 50 CDAA CC1=NN(C(=O)c2cccc(O)c2)[C@](O)(C(F)(F)F)C1 304738 MXFNXMKLVYXZOR-LLVKDONJSA-N 288.225 1.865 0 50 CDAA CCN1CCO[C@@H](CC(=O)Nc2ccccc2)C1=O 1010146 XMOARPMFBSVYTC-LBPRGKRZSA-N 262.309 1.263 0 50 CDAA COC(=O)[C@H]1CCCN1C(=O)c1ccc(F)cc1 1452401 QVPGJZSAXQQSQB-LLVKDONJSA-N 251.257 1.603 0 50 CDAA O=C1COc2ccc(C(=O)c3ccccc3C(=O)O)cc2N1 2051031 FPGWDOSSOOODIX-UHFFFAOYSA-N 297.266 1.947 0 50 CDAA CCc1ocnc1C(=O)N1CCC[C@@]12CCCNC2=O 2356169715 XEHSEANSUVQINK-CQSZACIVSA-N 277.324 1.122 0 50 CDAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccnc1 4004574 JPYRFQAGJBOJFZ-LLVKDONJSA-N 277.349 1.438 0 50 CDAA NC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2 4524971 LGGWACZZAOTYKK-UHFFFAOYSA-N 287.388 1.988 0 50 CDAA Cc1ccc(N2C(=O)C[C@@H](NC[C@@H]3CCCO3)C2=O)cc1 4996532 ATIPQIZIPFWXSA-UONOGXRCSA-N 288.347 1.396 0 50 CDAA O=C(NCC[C@@H]1CCCO1)NC[C@H]1CC[C@@H](O)C1 225583137 XOTXUMMCYZHXNL-TUAOUCFPSA-N 256.346 1.016 0 50 CDAA C[C@@H](NC(=O)[C@H](O)c1cnn(C)c1)c1ccc(F)cc1F 225797836 JDNSMSKASSYPMK-AMIZOPFISA-N 295.289 1.609 0 50 CDAA O=C(Nc1cccnc1N1CCCC1)NN1CCCC1 225837230 WAFVMIOMPXSISF-UHFFFAOYSA-N 275.356 1.814 0 50 CDAA O=C1C[C@@H](Sc2ncccn2)C(=O)N1c1ccccc1 100120806 KJGDLMJJLCFJML-LLVKDONJSA-N 285.328 1.901 0 50 CDAA CCCN1CCN(CC(=O)Nc2ccccc2OC)CC1 20595191 BAFAKARXNWRBFK-UHFFFAOYSA-N 291.395 1.661 0 50 CDAA Cc1c(C(=O)N[C@@H]2CC[C@@H](N)C2)n[nH]c1-c1ccccc1 67975605 NODXQXUZPPTYHI-CHWSQXEVSA-N 284.363 1.995 0 50 CDAA C[C@H](NC(=O)CN1CCCCCCC1)c1nncn1C 67851496 ZQADJXCMIUKAPV-LBPRGKRZSA-N 279.388 1.258 0 50 CDAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1CCc1ccccc1 67982707 YAACWQWFLGAXBQ-CVEARBPZSA-N 289.423 1.499 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)Cc1csc(C)n1 65490845 YLBBRQYRUIUIGN-QMMMGPOBSA-N 279.369 1.483 0 50 CDAA C[S@@](=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)O)c1 601990112 CRAAUIIGCAXIDM-RMDKCXRXSA-N 281.333 1.473 0 50 CDAA CC(C)(C(=O)N1CC[C@@H]1Cc1ccccc1)S(C)(=O)=O 332008588 RXSYIESVTIZCKX-CYBMUJFWSA-N 295.404 1.653 0 50 CDAA COCc1cc(C(=O)NC[C@@H]2CCn3ccnc3C2)no1 328624005 JPAOOQIFMHTMEO-SNVBAGLBSA-N 290.323 1.010 0 50 CDAA CCN1CCN(C(=O)c2cc(C)on2)C[C@H]1c1ncc[nH]1 328633926 SWJCHAGVPFSHRX-LBPRGKRZSA-N 289.339 1.225 0 50 CDAA N=C(O)c1cnn2c1CC[C@@H](CN[C@@H]1CCSC1)C2 328626043 DTEQOXZNYGKXKC-VHSXEESVSA-N 280.397 1.424 0 50 CDAA CCC[C@](C)(N)C(=O)N1CCC(Cn2cc(C)cn2)CC1 353719773 BVTWEVPSKHETMG-INIZCTEOSA-N 292.427 1.948 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnns1 252454967 MEFWZFVVVJAUNR-HLTSFMKQSA-N 281.337 1.396 0 50 CDAA O=C1CC[C@@H](CCNC(=O)c2ccccc2F)N1 253418132 PKZAILHYRNPYOW-VIFPVBQESA-N 250.273 1.224 0 50 CDAA Cn1nccc1C1=CCN(C(=O)Cc2ccon2)CC1 329326029 TYPPLFARBVPJIL-UHFFFAOYSA-N 272.308 1.267 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CC[C@@H](N)C1 72429914 LOQVWQFVZPNDQY-NWDGAFQWSA-N 284.363 1.716 0 50 CDAA C[C@H]1CN(C(=O)C(C)(C)C(F)F)CC[S@@](=O)C1 253421107 QAFLDTKXGLQHIH-WNWIJWBNSA-N 267.341 1.505 0 50 CDAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cnc(C)cn1 77389792 PXMBZZYMBDITSE-LBPRGKRZSA-N 291.351 1.733 0 50 CDAA CN(C)C(=O)c1cccc(-c2ccc(CO)cc2)n1 215469935 OLZFVHMVJUMLIQ-UHFFFAOYSA-N 256.305 1.943 0 50 CDAA N[C@@H](CNC(=O)c1ccc(Br)o1)C1CC1 150325600 FZCLXAJWULMYLR-ZETCQYMHSA-N 273.130 1.509 0 50 CDAA CCCOc1cccnc1C(=O)N1C[C@H](O)C2(CC2)C1 365284649 HETIZTNQZMXXNG-LBPRGKRZSA-N 276.336 1.467 0 50 CDAA CN(CCCC(=O)O)[C@@H]1CCN(c2ccccc2)C1=O 237042396 ORLZYLWVKJKYKV-CYBMUJFWSA-N 276.336 1.589 0 50 CDAA CCCN1C[C@@H](C(=O)Nc2ccc(Cl)cn2)CC1=O 33359488 OLPWLSCWHWXQQX-VIFPVBQESA-N 281.743 1.932 0 50 CDAA COC[C@@H](NC(=O)c1c(C)nc2ccnn2c1C)C1CC1 340639078 PIZBYQNXZWKCQU-GFCCVEGCSA-N 288.351 1.501 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 237422977 JDLGPTAELRLQNY-FVWNJDPFSA-N 259.353 1.681 0 50 CDAA COCc1nc(CN[C@@H]2CCc3ccccc3OC2)no1 367211392 DLYBOHCMMWRVKZ-GFCCVEGCSA-N 289.335 1.699 0 50 CDAA Cn1cc(CCC(=O)N2CCCC[C@@H]2CCC(=O)O)cn1 237766885 LJTXAALMWGTHJM-CYBMUJFWSA-N 293.367 1.599 0 50 CDAA Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO2)no1 370963293 UDOJYWRNJVEMBP-QWRGUYRKSA-N 265.313 1.611 0 50 CDAA CCn1ncnc1CN1CCC[C@@H](CN2CCCCC2)C1 216199640 LZZNIWXQRWOCNR-HNNXBMFYSA-N 291.443 1.996 0 50 CDAA CCC(CC)(CC(=O)O)NC(=O)C1CCOCC1 262146979 STEDXFPWOISOFF-UHFFFAOYSA-N 257.330 1.563 0 50 CDAA O=C(Cc1cccs1)N1CC[C@H](CN2CCOC2=O)C1 495870642 VDJYROSOGFHCPN-NSHDSACASA-N 294.376 1.591 0 50 CDAA O=C(NCCc1nc2ccccc2s1)c1cccc(=O)[nH]1 218821882 LDDWTFKIAGPFKY-UHFFFAOYSA-N 299.355 1.957 0 50 CDAA O=C(N[C@@H]1CCN(C2COC2)C1)OCc1ccccc1 79387425 JLDGHCCLXOHBQA-CYBMUJFWSA-N 276.336 1.386 0 50 CDAA CC[C@H](N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)C(=O)OC 241326126 LZLBATTXCZTKAR-XBFCOCLRSA-N 290.363 1.722 0 50 CDAA COc1ccc(C(=O)N2C[C@@H](C)Oc3ncccc32)nn1 158634514 OPYNMFCDKQTHFB-SECBINFHSA-N 286.291 1.308 0 50 CDAA CSc1ccc(C(=O)N[C@@H](C)Cn2cncn2)cc1 221303360 WHBKNCOSKNJWGW-JTQLQIEISA-N 276.365 1.819 0 50 CDAA CCCC(=O)N1CCC(C(=O)NCc2cccnc2)CC1 40456026 DEWPOMWTJJHVLA-UHFFFAOYSA-N 289.379 1.737 0 50 CDAA Cc1cc(CN(C)c2cc(C3CC(O)C3)ncn2)on1 222385015 NCZUCWDXFUCOAG-UHFFFAOYSA-N 274.324 1.648 0 50 CDAA CC(C)c1ncc(Cl)c(C(=O)N2CC[C@@H](CN)C2)n1 178519294 BAOUVWAJRNTLJM-VIFPVBQESA-N 282.775 1.674 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[C@@H](N)C2)C1(C)C 236883579 CVWOUGYGGJKVLG-FVCCEPFGSA-N 268.401 1.776 0 50 CDAA Cc1ccccc1-n1ncc(C(=O)N(C)[C@@H]2CCNC2)c1C 179058594 WDYFQOJBJZVCCI-CQSZACIVSA-N 298.390 1.923 0 50 CDAA CNC[C@@H]1CCN(C(=O)/C=C/c2c(C)nn(C)c2Cl)C1 179015399 OIDHXNNPLYTURJ-ZWNMCFTASA-N 296.802 1.463 0 50 CDAA CNC[C@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 179017723 QMQSZZOCLQXWSE-CJNGLKHVSA-N 288.391 1.758 0 50 CDAA Cc1ccc(OCCC(=O)N(C)[C@@H]2CCNC2)cc1C 179120123 FXUBFQIRONYXDV-CQSZACIVSA-N 276.380 1.893 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)n1 239403303 RSOCNUKPESVLTB-WKKWAXIPSA-N 280.327 1.948 0 50 CDAA O=C1CCCCN1CCCc1nc([C@@H]2CCOC2)no1 96179694 GLUOJFQUGSGWMQ-LLVKDONJSA-N 279.340 1.519 0 50 CDAA C[C@@H](NC(=O)CCCN1CCCCC1)c1nnc(N)s1 95363553 FINDFICWXVRBFN-SNVBAGLBSA-N 297.428 1.564 0 50 CDAA O=C(O)[C@@H]1CCCN1c1nccc(-c2ccncc2)n1 96150969 QNWIOFOHGCSCCZ-LBPRGKRZSA-N 270.292 1.592 0 50 CDAA CC(=O)N1CCCN([C@H](C(=O)O)c2cccc(O)c2)CC1 95392325 QXJRQLJGMYGEHQ-AWEZNQCLSA-N 292.335 1.072 0 50 CDAA CCn1nncc1C(=O)N1C[C@H](CO)c2ccccc21 293766518 AEWHHIFRHRNSJQ-SNVBAGLBSA-N 272.308 1.034 0 50 CDAA CC[C@H](C(=O)NCc1ccncc1C)n1cccn1 91820368 LPKMGEPLSLTGCT-CYBMUJFWSA-N 258.325 1.854 0 50 CDAA CN1CCC[C@H](CCC(=O)NCCc2c[nH]cn2)C1 95356770 PYYPDJKGVJEYSI-GFCCVEGCSA-N 264.373 1.190 0 50 CDAA CCN(Cc1nc(C)no1)C(=O)CC[C@H]1CCCN(C)C1 95362017 XYMAYOICALHOOZ-CYBMUJFWSA-N 294.399 1.849 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)[C@H]1CCCCO1 97413245 WSBNVGPYAGXWLR-CYBMUJFWSA-N 275.308 1.750 0 50 CDAA CN[C@@H](CC(C)C)C(=O)N(C)Cc1c[nH]nc1C 244659620 HFWVSEJMGOQZON-LBPRGKRZSA-N 252.362 1.311 0 50 CDAA NC(=O)c1noc(CN2CCCC[C@H]2c2ccccn2)n1 244690839 IXXAEGUVYNMDKF-NSHDSACASA-N 287.323 1.291 0 50 CDAA CCn1nccc1CNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 249684557 DQYYBGBZXDGRGT-YRRQLQLVSA-N 289.335 1.042 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)c1n[nH]c2c1COCC2 244811657 SISKDFPBNKLKJF-UHFFFAOYSA-N 290.323 1.359 0 50 CDAA CN(CCC(=O)Nc1cccnc1)Cc1n[nH]c2c1CCC2 252501281 UDJSCPALKPMDSZ-UHFFFAOYSA-N 299.378 1.754 0 50 CDAA CN(C)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cn1 299313296 XSVXRGJDHBZISO-UHFFFAOYSA-N 285.351 1.622 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)O 299748733 HZOACPRZZJLYQQ-WXHSDQCUSA-N 261.321 1.702 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCN(Cc2cccs2)CC1 352017468 HDSUTDUVCPJJGX-ZDUSSCGKSA-N 294.420 1.819 0 50 CDAA C[C@H](NCCc1csc(-c2cnccn2)n1)C(C)(C)O 534652431 IHJOTMSUACMKRG-JTQLQIEISA-N 292.408 1.892 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]3CNC[C@H]32)c1 299912364 BPBAUBBGJPDRBW-WCQYABFASA-N 298.383 1.507 0 50 CDAA CC[C@H](NC(=O)CN1CCOCC1)c1cc(C)ccn1 534667069 OJHCLDUTQYPMAZ-ZDUSSCGKSA-N 277.368 1.290 0 50 CDAA CC1(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)CCCCC1 534580402 BRVVDNTWXXZAHQ-KBPBESRZSA-N 280.412 1.936 0 50 CDAA CC[C@@H](NC(=O)c1csc(=NC)[nH]1)c1ncnn1CC 534640025 FSYSAJGIJHMPKD-MRVPVSSYSA-N 294.384 1.099 0 50 CDAA CCCNC(=O)c1nnn2cc(-c3ccccc3)nc(O)c12 263619401 YNWZRJIRCGAKRW-UHFFFAOYSA-N 297.318 1.637 0 50 CDAA CN(CC(=O)NCC[C@@H]1CCCOC1)C1CCCC1 534676120 CVOLYVLNBAWOBJ-ZDUSSCGKSA-N 268.401 1.794 0 50 CDAA CC[C@@H](CNC(=O)c1ccc(F)c(O)c1)N1CCOCC1 534588657 HLRDHXSDRVVHQO-LBPRGKRZSA-N 296.342 1.372 0 50 CDAA O[C@H]1CCN(c2ccnc(-c3cccc4c3OCC4)n2)C1 534650503 HMFSWHSIGQXOLY-LBPRGKRZSA-N 283.331 1.650 0 50 CDAA COc1ncccc1CN1CCC(c2nc[nH]n2)CC1 369328023 YTAYESCQAYOLCO-UHFFFAOYSA-N 273.340 1.588 0 50 CDAA Cc1ncn(C)c1C(=O)N[C@@H]1CCCN(C(=O)C(C)C)C1 299782744 UASBAOSANILGND-GFCCVEGCSA-N 292.383 1.105 0 50 CDAA CC[C@H](NC(=O)c1c(C)noc1C)c1ncnn1CC 299800997 UNWIRLOMKPWOLT-JTQLQIEISA-N 277.328 1.784 0 50 CDAA O=C(NCCc1nc2ccccc2o1)[C@@H]1CCOC1 299769347 MKHABAKAHFPMSM-SNVBAGLBSA-N 260.293 1.523 0 50 CDAA COCCN1C[C@@H](Cc2cccc(F)c2)CC1=O 299767561 LUVKTZIWNZNLNK-LBPRGKRZSA-N 251.301 1.863 0 50 CDAA COC(=O)N1CCCC[C@@H]1c1ncnn1CC(C)(C)O 824155878 BXHVTKNFPXMFQN-SNVBAGLBSA-N 282.344 1.342 0 50 CDAA O=C(O)c1cc(Br)nc(N2CCOCC2)c1 725347722 NHXHAQGCEUQDDC-UHFFFAOYSA-N 287.113 1.379 0 50 CDAA Cc1ncc(C(=O)NCCN2CCc3ccccc3C2)cn1 825276861 XLMSSMWWVBEGHS-UHFFFAOYSA-N 296.374 1.573 0 50 CDAA CCN(CC)C(=O)CN(C)c1nc(C(C)(C)C)cc(=N)[nH]1 585139170 DGRNKVWVQXGBHU-UHFFFAOYSA-N 293.415 1.491 0 50 CDAA CCc1nc(CCN=c2[nH]ccc(=NC)[nH]2)cs1 584901707 VLNRBIIHZBHNII-UHFFFAOYSA-N 263.370 1.036 0 50 CDAA Cc1nc(N)sc1CC(=O)N(C)C[C@H]1CCCO1 670445299 VCQKMRQBYNNJSA-SECBINFHSA-N 269.370 1.214 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2c(F)cc(OC)cc2F)C1 670444032 ADZWNRPQHWJZJH-SNVBAGLBSA-N 298.333 1.931 0 50 CDAA COCc1nc(Cc2ccncc2)n(CC(C)(C)O)n1 670461275 LOUSENRSOJETSM-UHFFFAOYSA-N 276.340 1.181 0 50 CDAA C1CN(C2CSCCSC2)C[C@H](C2CC2)O1 670451122 XWRHATNGOZRBOJ-GFCCVEGCSA-N 259.440 1.946 0 50 CDAA C[C@H](c1cccs1)N(C)C(=O)c1cncnc1N 185425213 AMPMOIVZIKHOFO-MRVPVSSYSA-N 262.338 1.954 0 50 CDAA Cc1noc([C@@H]2CCN(c3ncnc4[nH]cnc34)C2)n1 1875275739 FIDAPZSWDRMGQD-MRVPVSSYSA-N 271.284 1.038 0 50 CDAA CCNC(=O)c1cccc(CNCCn2ccnc2)c1 1875285564 QVWSJQGWFULJDP-UHFFFAOYSA-N 272.352 1.423 0 50 CDAA O=C(O)[C@H]1C(F)(F)C12CC(C(=O)N1CCCC1)C2 1875296791 PPAQTBQEOXUEIS-JKDSDDBFSA-N 259.252 1.355 0 50 CDAA O=C(N[C@H](CO)c1cccnc1)c1c[nH]c2ncccc12 1299579542 CIBVMQKSXUAWRB-CYBMUJFWSA-N 282.303 1.421 0 50 CDAA Cc1nc([C@@H]2CCO[C@@H]2CN(C)Cc2ncc(C)o2)n[nH]1 952889500 ANNNCGWEOHNCGD-VXGBXAGGSA-N 291.355 1.414 0 50 CDAA CC(C)n1ccc(=NC(=O)c2ccnc(CN(C)C)c2)[nH]1 1875335291 AAHICWCVXPELCL-UHFFFAOYSA-N 287.367 1.595 0 50 CDAA Cc1cc(C)cc([C@H](N)C(=O)N(C)Cc2ccc(=N)[nH]c2)c1 1875304354 IDSRPKBQSGSNTE-INIZCTEOSA-N 298.390 1.769 0 50 CDAA CS(=O)(=O)NC(=O)C[C@H]1CCc2ccccc2C1 1875391026 CGBSLWKXXIWAGX-JTQLQIEISA-N 267.350 1.257 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2CC=CC[C@@H]21 1875302308 KBUDIOCQCKBCJE-JQWIXIFHSA-N 271.320 1.850 0 50 CDAA CC1(C)C[C@H]1C(=O)N1CCN(C(=O)C2CCC2)CC1 952982175 FPQOZMKBMYTUFH-LBPRGKRZSA-N 264.369 1.503 0 50 CDAA CO[C@H]1COC[C@@H]1NCc1cnc(-c2ccco2)nc1 952860092 DORGGLOHSXWPOL-AAEUAGOBSA-N 275.308 1.240 0 50 CDAA Cc1nc(C)c(C(=O)N2CCCS(=O)(=O)CC2)s1 408124220 UCPDJGTYRMLILO-UHFFFAOYSA-N 288.394 1.021 0 50 CDAA Cc1ccc([C@@H]2COCCN2C(=O)CCc2c[nH]cn2)o1 170608027 JJLQOTKECQIECN-ZDUSSCGKSA-N 289.335 1.844 0 50 CDAA O[C@H](CNC1CC(C(F)(F)F)C1)CC1(O)CCOCC1 634714252 INBGQBMZLNQTFO-ILDUYXDCSA-N 297.317 1.209 0 50 CDAA C[S@@](=O)c1ccc(C(=O)N2CC[C@@](C)(C(=O)O)C2)cc1 583652253 RQGIOZDKFHCZOE-JLTOFOAXSA-N 295.360 1.361 0 50 CDAA Cc1noc([C@@H]2CN(C[C@@]3(C)CCCS3)CCN2C)n1 583651487 NQTHMCMBEXTWSL-GXTWGEPZSA-N 296.440 1.952 0 50 CDAA Oc1nncc(N2CCS[C@@H]3CC[C@H]32)c1Cl 585098941 UULJWWHCKXBYKB-HTRCEHHLSA-N 257.746 1.920 0 50 CDAA CCc1ccccc1S(=O)(=O)N1CCC12COC2 585114841 BZVNHOJXDPLRIT-UHFFFAOYSA-N 267.350 1.412 0 50 CDAA CN1CCC[C@H](n2cc(-c3ccccc3)nn2)C1=O 641085106 AIFWKJIMWJILMH-ZDUSSCGKSA-N 256.309 1.738 0 50 CDAA CCc1ccc([C@H]2CCCN2C(=O)C2=NNC(=O)C2)o1 735521518 GJXYKLSNHIRLDB-LLVKDONJSA-N 275.308 1.381 0 50 CDAA COCc1cc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)no1 643772443 BDYPWKQJVNFKDL-YPMHNXCESA-N 292.339 1.506 0 50 CDAA Cc1cc(CC(=O)Nc2cnn(C(C)(C)C(=O)O)c2)no1 192999875 ZRVAGXFMIQOKRI-UHFFFAOYSA-N 292.295 1.180 0 50 CDAA Cc1nc(NCc2c(C)nn(C)c2C)c2cnn(C)c2n1 194975969 PBTLKTQULMAASD-UHFFFAOYSA-N 285.355 1.634 0 50 CDAA C[C@@H]1NCC[C@@H](C)[C@@H]1NC(=O)c1ccc(C(=O)O)cc1 570098409 QOPSOPJIIJCJBY-NRUUGDAUSA-N 276.336 1.501 0 50 CDAA O=C(O)c1ccnc(N2CCO[C@H](CC(F)(F)F)C2)c1 699106067 NCKWLGRUDZXFKY-SECBINFHSA-N 290.241 1.937 0 50 CDAA O=C(CCN[C@H]1CCN(c2ccccc2)C1)N1CCCC1 1506399418 NLOUOQHGAXDLJO-HNNXBMFYSA-N 287.407 1.867 0 50 CDAA C[C@@H]1CCCCN1C1CN(CCc2nccn2C)C1 1506408338 RQDRUWANHBIPRO-CYBMUJFWSA-N 262.401 1.521 0 50 CDAA CC(=O)Nc1nonc1NC(=O)CSc1ccccc1 1529120856 PQMPYCFQFRENEI-UHFFFAOYSA-N 292.320 1.759 0 50 CDAA Cc1c(NC(=O)[C@H]2CC(=O)N(C)c3ccccc32)cnn1C 1529159308 SQRDXXZPOKKJHJ-LBPRGKRZSA-N 298.346 1.817 0 50 CDAA O=C(N[C@@H]1CC[S@@](=O)C1)c1occc1Br 408309738 YWDAGDVYPVGSBI-NPMWZIQKSA-N 292.154 1.293 0 50 CDAA CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C 225672949 SQFIHMUREXTWDH-NNYUYHANSA-N 263.403 1.765 0 50 CDAA O=C(COc1ccc(F)cc1F)N1CCOCC1 13329672 JWZVBRXAVRIMJR-UHFFFAOYSA-N 257.236 1.202 0 50 CDAA Cc1cccc(C(=O)N2C[C@H](C)CS2(=O)=O)c1 835568171 OKZUOGPVCGFTDP-JTQLQIEISA-N 253.323 1.417 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)NCc1ccc(C)c(C)n1 1615003483 NEMJQGYOMMEZKJ-TZMCWYRMSA-N 277.368 1.923 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H](c2n[nH]c(=N)o2)C1 379453336 CSCKKUZJKOSMMY-QMMMGPOBSA-N 268.317 1.597 0 50 CDAA in-vitro CC(C)N1C[C@@H](CN(C)CCCn2cccn2)CCC1=O 1775978332 RMLCOPGWSUYWPU-OAHLLOKOSA-N 292.427 1.852 0 50 CDAA COCc1nnc(NCCOCc2ccccc2)o1 1772706696 PADASQLCOHTPGZ-UHFFFAOYSA-N 263.297 1.845 0 50 CDAA C[C@@]12C[C@@H]1CN(C(=O)c1cccc(-n3cnnc3)n1)C2 1772819863 VWSVIEOJDFXDPE-YGRLFVJLSA-N 269.308 1.144 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2CN1CCOc1ccc(F)cc1 1772706251 MYLVLBPVXKUCBJ-JSGCOSHPSA-N 292.354 1.900 0 50 CDAA CN(CC[C@H]1COCCO1)Cc1nc2ccccc2[nH]1 1775979092 XNYCJGZEDXNXAU-LBPRGKRZSA-N 275.352 1.800 0 50 CDAA COc1ncc(Cl)c(N[C@@H](C)C[S@@](C)=O)n1 164204440 KLOCOTZCONHHTQ-MUCOVADDSA-N 263.750 1.318 0 50 CDAA COc1ccc(S(=O)(=O)NCCO)c2ccccc12 11566256 XWKFJKLBJTYMBL-UHFFFAOYSA-N 281.333 1.119 0 50 CDAA COCCN1CCN(Cc2cc(C)ccc2C)CCC1=O 11868090 MCYMTFVMVZAQKR-UHFFFAOYSA-N 290.407 1.984 0 50 CDAA CCNC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 12864128 FYFDFSQUGSSFIH-UHFFFAOYSA-N 278.327 1.814 0 50 CDAA O=C(NCCN1CCOCC1)c1ccccc1Cl 19681270 HPKQCNOZONMOPM-UHFFFAOYSA-N 268.744 1.402 0 50 CDAA Cc1cc(S(=O)(=O)NCCCO)ccc1Cl 19780821 RWOIUMKAUQONNE-UHFFFAOYSA-N 263.746 1.309 0 50 CDAA OC[C@]12COCC[C@H]1CN(CCOCc1ccccc1)C2 1857669293 RLJQFIKMWRJNKX-DLBZAZTESA-N 291.391 1.534 0 50 CDAA COC(=O)[C@@H]1CCN(c2cc(C(N)=O)c3ccccc3n2)C1 1857676585 UUBGOTMSVGQXPL-SNVBAGLBSA-N 299.330 1.333 0 50 CDAA Nc1cccc(C(=O)N2CC(c3ccccn3)C2)n1 1857703890 VIAGKTRINYVOED-UHFFFAOYSA-N 254.293 1.298 0 50 CDAA COc1c(C)cc(CN(C)C(=O)[C@@H]2COCCN2)cc1C 237127803 NHIZCXWIVSLVOY-AWEZNQCLSA-N 292.379 1.259 0 50 CDAA CN(Cc1ccccn1)C(=O)COc1ccc(CO)cc1 408518062 SPPKPPYICPLKNS-UHFFFAOYSA-N 286.331 1.611 0 50 CDAA COC(=O)[C@@H](Cc1cncn1C)NC(=O)OC(C)(C)C 214990529 KEWJAQUOHBEHGW-SNVBAGLBSA-N 283.328 1.029 0 50 CDAA in-vitro Cc1cc(C(=O)N[C@@H](C)C(=O)O)c2ccc(F)cc2n1 225483351 ICPPHXJOAAJZHL-QMMMGPOBSA-N 276.267 1.885 0 50 CDAA CC(=O)N1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 225420313 XVFSIGSIYAJDGA-IHRRRGAJSA-N 264.369 1.503 0 50 CDAA CNC(=O)CSc1ncc(Br)cn1 225634711 WNTQUERWMHLGEN-UHFFFAOYSA-N 262.132 1.077 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CCc2cccc(F)c2F)C1 237949000 KGMYVQMAVYMUMC-SNVBAGLBSA-N 283.274 1.831 0 50 CDAA CO[C@@H]1CN(Cc2ccc(F)cc2C)C[C@H]1c1cnn[nH]1 585088460 KTLGOYHKQXPMCO-DZGCQCFKSA-N 290.342 1.867 0 50 CDAA Cc1cc(C)cc(C[C@@H](C)NC(=O)CCC(N)=O)c1 585129737 UMFFHVVYSSOEPX-GFCCVEGCSA-N 262.353 1.616 0 50 CDAA O=C(c1cccc(Cl)c1F)N1CCn2cnnc2C1 152865897 QIBFEIUSTBCAIY-UHFFFAOYSA-N 280.690 1.727 0 50 CDAA CO[C@@H](C)c1noc(CN2CC[C@]3(CCOC3)C2)n1 153468430 XJBIGQAPIMENMO-GWCFXTLKSA-N 267.329 1.389 0 50 CDAA C[C@@]1(NC(=O)c2cccnc2)CCCC[C@@H]1C(=O)O 262725816 GKUJFAXNJOAOIR-BXUZGUMPSA-N 262.309 1.845 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCOC2(CCCCC2)C1 263522055 HRWZZPAVYGCFFI-WDEREUQCSA-N 267.325 1.269 0 50 CDAA Cc1nc([C@@H]2CCCN(Cc3nonc3C)C2)n[nH]1 268534988 ZTCNMYLNCRFFEF-SNVBAGLBSA-N 262.317 1.184 0 50 CDAA Cc1nnc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)s1 660691092 FWPVOWQPAXHOME-IJLUTSLNSA-N 267.398 1.972 0 50 CDAA Cc1ncsc1C(=O)N1C[C@H]2[C@H](N)CC[C@H]2C1 184941073 AXEQUSCPSYJJOK-IVZWLZJFSA-N 251.355 1.261 0 50 CDAA CC(C)(C)CN(CC(=O)O)C(=O)C[C@@H]1CCOC1 659783233 NXOSDDKBQOUHJH-JTQLQIEISA-N 257.330 1.372 0 50 CDAA Cc1cc(C(=O)N(CCO)Cc2cccs2)nn1C 952985707 IXSKNBLXVCBQEM-UHFFFAOYSA-N 279.365 1.425 0 50 CDAA CCCc1nsc(N2CCc3[nH]nc(CO)c3C2)n1 2325802393 FLBXNNIUONXPRZ-UHFFFAOYSA-N 279.369 1.269 0 50 CDAA CCCNC(=O)[C@@H](C)NC(=O)C(=O)C1CCCCC1 2325811325 PGIPYHROIIUCKY-SNVBAGLBSA-N 268.357 1.167 0 50 CDAA CC1(c2cc(C(=O)N3CC[C@@]4(C[C@H]4C(=O)O)C3)no2)CC1 2325812705 AHGNGQCKWIUCGC-BJOHPYRUSA-N 290.319 1.663 0 50 CDAA O=C(Nn1ccccc1=O)c1ccnc(-c2cccnc2)n1 2325821627 DFIKDYBWAGZSPW-UHFFFAOYSA-N 293.286 1.084 0 50 CDAA CC(=O)N1C[C@@H](c2ccccc2)[C@@](F)(C(=O)O)C1 872324219 COWVBPYPNDATOI-WCQYABFASA-N 251.257 1.425 0 50 CDAA O=c1c(=NNc2ccccc2)c(=O)c2ccccc12 296135 ATZRPZUWMAQYJA-UHFFFAOYSA-N 250.257 1.364 0 50 CDAA Cc1noc(-c2cccnc2N2CCN3CCC[C@H]3C2)n1 246192005 MFVKRAIREDGSGX-LBPRGKRZSA-N 285.351 1.724 0 50 CDAA CCCN1Cc2nnc(-c3cccnc3)n2[C@@H](C)C1=O 2356145522 OZBUTZYZVGOBRQ-JTQLQIEISA-N 271.324 1.653 0 50 CDAA Cc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 4263644 OPXCYFXBOPWKHT-NSHDSACASA-N 268.338 1.304 0 50 CDAA Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ncnn32)c1 4815647 SCWLBTFRELSMEP-JTQLQIEISA-N 271.280 1.109 0 50 CDAA COC(=O)c1ccccc1NC(=O)NC(=O)C(F)(F)F 6700850 SCBLPRMBGZOTCP-UHFFFAOYSA-N 290.197 1.684 0 50 CDAA CCC(=O)Nc1cccc(C(=O)NCc2ncc[nH]2)c1 55254776 NUYQFJNSYMDJDO-UHFFFAOYSA-N 272.308 1.688 0 50 CDAA O=C([C@@H]1CCOC1)N1CCCN(Cc2cccs2)CC1 66916683 KJBXEBOQCPYLSJ-CYBMUJFWSA-N 294.420 1.819 0 50 CDAA Cc1ncc(C(=O)NCCn2nnc3ccccc32)c(C)n1 20201150 GMRKIBYSPZAJMN-UHFFFAOYSA-N 296.334 1.268 0 50 CDAA CCNC(=O)C1CN(c2nc(-c3ccccc3)ns2)C1 135412202 NNVRFHOLGJDQTH-UHFFFAOYSA-N 288.376 1.777 0 50 CDAA C=C=CCNS(=O)(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 1365718305 VITAVRSVQLSQHZ-IUCAKERBSA-N 285.287 1.357 0 50 CDAA CC(C)[C@@H](C(=O)NCc1ccc(O)nc1)N1CCCCC1 135597801 SDFOZKDNCGABBA-HNNXBMFYSA-N 291.395 1.914 0 50 CDAA CCCc1nc(-c2noc(Cn3cnnc3O)n2)co1 350362215 CGDWVKRFNCGOIS-UHFFFAOYSA-N 276.256 1.023 0 50 CDAA COc1cc(N[C@@H](Cn2ccnc2)C(C)C)ncn1 65506187 YHGCNQFXJUOGAC-NSHDSACASA-N 261.329 1.818 0 50 CDAA CC(C)Cc1cc(C(=O)N(C)Cc2cnccn2)on1 65393515 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215160269 WFKIJYZTWFCDDX-UHFFFAOYSA-N 280.393 1.601 0 50 CDAA CCS(=O)(=O)[C@@H](C)C(=O)NCC1=CCCCC1 71745834 LPGZNSXOVFTJPG-JTQLQIEISA-N 259.371 1.426 0 50 CDAA O=C1CC(=C2[C@@H]3C(=O)[C@@H]4C[C@@H]5C(=O)[C@@H]2[C@@H]2[C@@H]5[C@@H]4[C@H]32)C1 216504407 VUTMCDQVXOPOJF-LCMOGEHTSA-N 254.285 1.172 0 50 CDAA CN1C[C@@]2(CCCN(Cc3cccnc3N)CC2)OC1=O 72141664 IIJDVPWREHGHAO-HNNXBMFYSA-N 290.367 1.471 0 50 CDAA CC[C@H]1CN(CC)CCN1c1ncnc2c1ncn2CC 521394699 FJZSMTXZZOSDMH-LBPRGKRZSA-N 288.399 1.767 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)NC[C@H]1CCNC[C@@H]1O 215072111 JAPGCOAPIMVWCV-MNOVXSKESA-N 297.424 1.275 0 50 CDAA COc1ccc(C(=O)NCCc2nnc(C)s2)cn1 219837100 KGFOBPQSNFZELS-UHFFFAOYSA-N 278.337 1.223 0 50 CDAA CO[C@H]1CN(C(=O)c2cccc3[nH]c(C)nc23)CC[C@H]1N 71761312 HZCFNMMFOFJTTR-YPMHNXCESA-N 288.351 1.060 0 50 CDAA COc1cnc(N2CCN(c3cccnc3)CC2)nc1 77338878 VNORSSPDHDHXHN-UHFFFAOYSA-N 271.324 1.207 0 50 CDAA COc1cc(CN2CCCC[C@H]2c2nc(O)n[nH]2)ccn1 333681429 LJYSSNJXOMZYRQ-NSHDSACASA-N 289.339 1.641 0 50 CDAA C[C@H]1CN(C(=O)C[C@@H](C)CN)c2ccc(F)cc2O1 237507247 QOOGFUYGLMOSAH-ZJUUUORDSA-N 266.316 1.925 0 50 CDAA C[C@@H](CCn1cccn1)Nc1ccc2[nH]nc(C(N)=O)c2c1 159340764 SUFVKAOENNZTQY-JTQLQIEISA-N 298.350 1.749 0 50 CDAA COC(=O)[C@H]1CCCN1C(=O)CCC(=O)c1ccccc1 34191159 WGYYLEMAVVKZIK-CYBMUJFWSA-N 289.331 1.814 0 50 CDAA CCCCNc1cc(N2C[C@H](O)C3(CC3)C2)nc(=N)[nH]1 376432677 FRWNCGANSGCOGK-JTQLQIEISA-N 277.372 1.062 0 50 CDAA c1cnc(N2CCC3(CCCN3Cc3c[nH]cn3)CC2)nc1 72432513 VAUDHLDQSUMRIV-UHFFFAOYSA-N 298.394 1.835 0 50 CDAA O=C(O)CN(C(=O)C[C@@H](O)c1cccc(F)c1)C1CC1 238104971 KSDKYBYTQXECDK-GFCCVEGCSA-N 281.283 1.325 0 50 CDAA O=C(c1ccc2n[nH]nc2c1)N1CCC(n2cnnc2)CC1 216087525 BTIJMEWGIRRXQW-UHFFFAOYSA-N 297.322 1.027 0 50 CDAA Cc1cc(=O)cc(C(=O)NCC2(N(C)C)CCCCC2)o1 216469337 OIAHCDVOZYLNOZ-UHFFFAOYSA-N 292.379 1.943 0 50 CDAA CNC(=O)[C@]1(C)CCCN(c2ccncc2F)C1 1506416084 HEYDQZIIVLVVDS-CYBMUJFWSA-N 251.305 1.573 0 50 CDAA COCc1nc(CNC2CCC3(CCNCC3)CC2)no1 71278615 UGPDYIHJVOPVQI-UHFFFAOYSA-N 294.399 1.618 0 50 CDAA Cc1cccc2nc(CN3C[C@H](F)C[C@H]3C(N)=O)cn12 284843481 PVZWLGQGYOXXIV-PWSUYJOCSA-N 276.315 1.040 0 50 CDAA CC[C@H]1CN(c2nccc(-c3cnn(C)c3)n2)CCN1C 82039335 UOUBWACEMQUPLL-ZDUSSCGKSA-N 286.383 1.408 0 50 CDAA Cc1oc2c(c1C(=O)NC[C@@H]1C[C@H](F)CN1)C(=O)CCC2 82125563 FHIYKSUKQRPUTE-UWVGGRQHSA-N 294.326 1.537 0 50 CDAA CC(C)CN1CC[C@@H](CNC(=O)c2c(Cl)cnn2C)C1 612281644 CCTAPCHHCRAUDW-NSHDSACASA-N 298.818 1.781 0 50 CDAA COC[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2)C1 223502126 XRVMEFCIBRVKRY-LLVKDONJSA-N 262.309 1.120 0 50 CDAA COC1(C(=O)N2CC[C@@](F)(C(=O)O)C2)CCCCC1 263532685 NFQNJCQQCHPSNJ-LBPRGKRZSA-N 273.304 1.361 0 50 CDAA COCc1nc([C@H]2CCOC2)cc(=NCCCSC)[nH]1 426504081 SRJGPBIQBPUBDF-NSHDSACASA-N 297.424 1.714 0 50 CDAA Cc1cc(CC(=O)N[C@H](C)c2nnc(C(C)C)o2)on1 426382582 BDMCSULEHXRZKQ-SECBINFHSA-N 278.312 1.909 0 50 CDAA CC(C)CN(Cc1cnn(C)c1)C(=O)C[C@@H]1CCOC1 426628858 UYSJEWAQAJBRBM-ZDUSSCGKSA-N 279.384 1.831 0 50 CDAA Cc1nc([C@H](Cc2ccccc2)N(C)C)n(CC(=O)O)n1 96140402 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O=C(O)[C@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3[C@H]4CC(F)(F)C[C@H]43)[C@@H]2C1 1875304241 DUIUAVVBWROYLU-HPOMMKJZSA-N 299.317 1.893 0 50 CDAA Cc1ccnc(C(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)c1 1875310804 CVDSJUBGBIKQEW-ZRUFSTJUSA-N 260.293 1.229 0 50 CDAA O=C(O)[C@@H]1c2c[nH]nc2CN1C(=O)N1CCCCCCC1 1875273619 ULAWALRGONXXMP-LBPRGKRZSA-N 292.339 1.737 0 50 CDAA Cc1cc(CNC(=O)[C@H]2CCN3CCOC[C@@H]23)cc(C)n1 1875294772 WVTXBONQILUGJU-GJZGRUSLSA-N 289.379 1.035 0 50 CDAA Fc1c[nH]cc(Cl)c1=NCc1nc([C@H]2CCCO2)n[nH]1 1875287039 SLYYXCJXFLXBRP-SECBINFHSA-N 297.721 1.878 0 50 CDAA O=C(c1nc[nH]c2nccc1-2)N1CCOC[C@@H]1CC1CC1 886473043 OQMLLPJRQZSRGF-NSHDSACASA-N 286.335 1.551 0 50 CDAA O=C(O)[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]2c2cccnc2)C1 1349964690 GTNWCLRKVJBCNA-WHOHXGKFSA-N 260.293 1.165 0 50 CDAA O=C(N[C@H]1C[C@H]2OCC[C@@H]12)c1cnn(Cc2ccccc2)c1 1565512210 QPRDNSUWYDAYSI-HRCADAONSA-N 297.358 1.839 0 50 CDAA C[C@]1(O)CCN(C(=O)CCc2ccc(F)cc2F)C[C@H]1O 1565529230 DNENPEHCNJCURX-HIFRSBDPSA-N 299.317 1.242 0 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291.395 1.844 0 50 CDAA C[C@H](NCC(C)(C)C(N)=O)c1ccc(S(C)(=O)=O)cc1 195558781 PMUUVJMARYXNTD-JTQLQIEISA-N 298.408 1.252 0 50 CDAA O=C([C@H]1C[C@@H]1Cc1ccccc1)N1CCCS1(=O)=O 756234659 YLMFNLZDEFYVCO-STQMWFEESA-N 279.361 1.427 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)c(C)s1 659171189 LKSITACFTZNTIN-ZJUUUORDSA-N 269.322 1.337 0 50 CDAA O=C(N[C@@H]1CCCOCC1)C(F)(F)c1nccs1 756530414 MFHCKBLHYMZMBW-MRVPVSSYSA-N 276.308 1.920 0 50 CDAA Cc1cccc(CN2CCC[C@@H](CS(C)(=O)=O)C2)n1 97272453 ZJROHOOSKTYWQB-CYBMUJFWSA-N 282.409 1.647 0 50 CDAA CC(C)CCC(=O)NS(=O)(=O)CCC(F)(F)F 797271049 ZSEXJJODUBBYAC-UHFFFAOYSA-N 275.292 1.821 0 50 CDAA Cn1nc(C(=O)Nc2cnn3c2NCCC3)c2ccccc21 1506421329 ITSAKCWZLDOSJW-UHFFFAOYSA-N 296.334 1.838 0 50 CDAA CCOC(=O)c1cc(C)sc1NC(=O)CN(C)C 13322977 XUESNNKNNZHGQQ-UHFFFAOYSA-N 270.354 1.733 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(F)c1)C2 1704316006 SFQNBSJWQWCECO-HIFRSBDPSA-N 292.354 1.157 0 50 CDAA COc1cc(Cl)ccc1C(=O)N1CCN2CC[C@H]1C2 615562960 PRBLKLLNQJENFW-NSHDSACASA-N 280.755 1.879 0 50 CDAA CNS(=O)(=O)c1cc(Br)ccc1OC 7374499 KZNYMPXBNITLOQ-UHFFFAOYSA-N 280.143 1.366 0 50 CDAA in-vitro COc1nc(N[C@@H](Cc2ccccc2)C(N)=O)ncc1F 1704312094 ZLGOBVTVQUWYDC-NSHDSACASA-N 290.298 1.133 0 50 CDAA COCCCC(=O)N1CCOC[C@H](C2CCC2)C1 366499672 YJVIUDHLXUVJKA-CYBMUJFWSA-N 255.358 1.688 0 50 CDAA CC1(C)CCc2nnc(CNC(=O)c3ccco3)n2C1 1616038551 LYCRFBOIKNFLBV-UHFFFAOYSA-N 274.324 1.774 0 50 CDAA Cc1ccc2[nH]c(C(N)=O)c(CCCC(=O)O)c2c1 1775970706 KBJQNHWBXOENKL-UHFFFAOYSA-N 260.293 1.983 0 50 CDAA O=C(CSc1ncn[nH]1)Nc1ccc(F)c(F)c1F 5013816 QDCYTFPCURAOST-UHFFFAOYSA-N 288.254 1.953 0 50 CDAA Cc1ccccc1O[C@H](C)C(=O)NC1=NCCS1 16602747 LJXQOQMBVSYKJA-SNVBAGLBSA-N 264.350 1.981 0 50 CDAA COc1cc(NC(=O)[C@@H]2CCCO2)cc(OC)c1OC 4814540 CKXZUDDMNQOYGO-JTQLQIEISA-N 281.308 1.830 0 50 CDAA COC(=O)c1c(N)sc(C(=O)N2CCCC2)c1C 4832360 VXTAKARSDNDSBB-UHFFFAOYSA-N 268.338 1.661 0 50 CDAA C[C@H](C(=O)N(C)C)N(c1ccc(F)cc1)S(C)(=O)=O 6697798 GHAIFCKXCZDFTI-SECBINFHSA-N 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1.068 0 50 CDAA CC[C@H](CSC)NC(=O)N[C@H](C)[C@H]1CCOC1 252511248 FIYNGWBXCVVTBK-OUAUKWLOSA-N 260.403 1.852 0 50 CDAA CN(C)C(=O)N[C@H](c1ccc(F)cc1)c1ccn(C)n1 358529069 PLOVHALMOIEFKF-CYBMUJFWSA-N 276.315 1.920 0 50 CDAA CN(Cc1ccc(-c2ncc[nH]2)o1)S(C)(=O)=O 67714559 RVNBWURXBVZCQF-UHFFFAOYSA-N 255.299 1.061 0 50 CDAA COc1cccc(C(=O)NCCO[C@H]2CCCCO2)c1 521394321 RUTMYCYZIYFVOE-AWEZNQCLSA-N 279.336 1.968 0 50 CDAA CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 1233 QMNFFXRFOJIOKZ-UHFFFAOYSA-N 251.721 1.526 0 50 CDAA biogenic,world COc1cc([C@@H](C)NC(=O)c2cc(C)[nH]n2)ccn1 359918657 AVSZPVJSIAQXGP-SECBINFHSA-N 260.297 1.613 0 50 CDAA CN1CCN(C(=O)c2ccsc2)C[C@@H]1c1ncc[nH]1 328633072 SJJIVLSJRZSIHH-LLVKDONJSA-N 276.365 1.600 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@H]1Cc2cc(F)ccc2O1 172758999 MHAZBAUJORLEFG-CYBMUJFWSA-N 275.283 1.810 0 50 CDAA CCc1ccc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)o1 328624872 CRYQCHOLHRSGBL-LLVKDONJSA-N 290.323 1.661 0 50 CDAA CCC(CC)[C@@H](C(=O)Nc1cn[nH]c1)N1CCOCC1 173083405 WGIYMZFKSYABNB-ZDUSSCGKSA-N 280.372 1.485 0 50 CDAA CCC1(O)CN(C(=O)Cc2c(C)nn(C(F)F)c2C)C1 282903386 LXGCVETZXNGEJN-UHFFFAOYSA-N 287.310 1.421 0 50 CDAA Cc1nc(CN2CCC[C@H]2C(=O)N2CCOCC2)cs1 75646451 GEKZKTCGTIHYTE-ZDUSSCGKSA-N 295.408 1.275 0 50 CDAA O=C(C[C@H]1C=CCCC1)NC[C@@H]1CCCS(=O)(=O)C1 332818103 RHNHHMNTDZQUQC-STQMWFEESA-N 285.409 1.674 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)O)c1cccs1 236862774 GPBLOXKEBXETIU-KXUCPTDWSA-N 283.349 1.805 0 50 CDAA CN(CCC1CCOCC1)c1nnc([C@H]2CCCO2)n1C 333243337 QMOCTXLXTKVMMW-CYBMUJFWSA-N 294.399 1.920 0 50 CDAA Cc1ccc(N2CCN(C(=O)c3cccs3)CC2)nn1 35597935 JBPTVEQUWJDNDT-UHFFFAOYSA-N 288.376 1.809 0 50 CDAA CNC(=O)C[C@H](C)N(C)Cc1cc(C(C)(C)C)n[nH]1 215463462 IKHRIKBICYKFCR-JTQLQIEISA-N 266.389 1.664 0 50 CDAA O=C(NC[C@@H]1CCCOC1)N[C@H]1CCN(CC(F)F)C1 333901605 IVPVMWBVLMWJPG-QWRGUYRKSA-N 291.342 1.052 0 50 CDAA COCC[C@H](NC(=O)c1cc(C(C)C)no1)C(=O)O 262260142 DLVNFVFKIXILSJ-QMMMGPOBSA-N 270.285 1.018 0 50 CDAA Cc1cccnc1N1CCN(C[C@H]2CCNC2)CC1 77424973 IOVFIGUIYYLEES-AWEZNQCLSA-N 260.385 1.122 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCCOCc1ccccc1 262611182 LENNHCHACLWFIJ-NEPJUHHUSA-N 263.293 1.040 0 50 CDAA O=C(O)CNC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 238186627 HOHCQZJTHCWRBH-ZDUSSCGKSA-N 294.326 1.381 0 50 CDAA CCCCc1nc(CN2CCC[C@]3(CNC(=O)O3)C2)c[nH]1 72423883 XQNKSJOVOUXLFT-HNNXBMFYSA-N 292.383 1.827 0 50 CDAA CC[C@@H]1CN(Cc2cncnc2)C[C@@]2(CCOC2)O1 241132960 JNORIILSHMWQTR-ZIAGYGMSSA-N 263.341 1.247 0 50 CDAA Cc1cnn(C)c1CN[C@@H]1CCCN(c2ccnn2C)C1 285814867 GNMFRKIBNHJYLB-CYBMUJFWSA-N 288.399 1.221 0 50 CDAA CCn1c(SC[C@@H]2COC(=O)N2)nnc1-c1ccco1 496680420 IGNKAVKOHUBXHE-QMMMGPOBSA-N 294.336 1.759 0 50 CDAA CCN(CC1CCOCC1)C(=O)c1c[nH]c(=O)c(Cl)c1 220309443 HQJYVIBDUIJUNU-UHFFFAOYSA-N 298.770 1.917 0 50 CDAA Cc1ccc(CC(=O)N[C@H](CO)CN2CCCCC2)s1 288487394 LQXNOHSYVKTLBQ-ZDUSSCGKSA-N 296.436 1.562 0 50 CDAA Cc1cc(=O)cc(C(=O)NCCCCN2CCCC2)[nH]1 426486064 HPZBTMMXRGDZRS-UHFFFAOYSA-N 277.368 1.289 0 50 CDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cn[nH]c1 223130054 MCTAMEPWMLQBCI-OLZOCXBDSA-N 279.340 1.280 0 50 CDAA CCCN(Cc1nccn1C)C(=O)[C@]1(C)CCCO1 426382679 KLHGRUNGISRORY-AWEZNQCLSA-N 265.357 1.728 0 50 CDAA O=C(O)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1 223946582 SROBIIWRBUQGDC-GDNZZTSVSA-N 261.277 1.147 0 50 CDAA CC1(CNC(=O)c2ccc(-c3cc(=N)[nH]cn3)cc2)COC1 426693936 ZHLXRIISWFRNLU-UHFFFAOYSA-N 298.346 1.322 0 50 CDAA Cc1ccc(N2CCN(C(=O)c3ccn(C)n3)CC2=O)cc1 82155795 AZWOKPOJMSYSCL-UHFFFAOYSA-N 298.346 1.218 0 50 CDAA C[C@@H](CNC(=O)c1cnc(OCC2CC2)cn1)CN(C)C 292270580 FZYSXIFSSPADBZ-NSHDSACASA-N 292.383 1.193 0 50 CDAA Cc1ccc([C@H](C)NC(=O)CCCn2cncn2)cn1 220216327 GSYBOYYVWLQJJR-LBPRGKRZSA-N 273.340 1.639 0 50 CDAA COc1ncc(C(=O)NCc2c(C)noc2C)cn1 426737311 AQFJVIMMEWFNQP-UHFFFAOYSA-N 262.269 1.020 0 50 CDAA CC(C)(C)/C=C/C(=O)N1CCO[C@@H](CC(=O)O)C1 236736135 JIWWHNSMRHICJR-YEZKRMTDSA-N 255.314 1.291 0 50 CDAA CC[C@H](COC)NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1 95360334 BISLIGZKNAOZRF-LLVKDONJSA-N 289.335 1.937 0 50 CDAA CNCc1nnc(SCCn2cc(Cl)cn2)n1C 426443197 ITFNEAPPMJRWKS-UHFFFAOYSA-N 286.792 1.177 0 50 CDAA CN(C)Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)cc1 426479136 UDRMCOJPEPDKNJ-WNKDZCFJSA-N 299.418 1.571 0 50 CDAA Cn1ccnc1CCNC(=O)[C@@H]1CCOc2ccccc2C1 97506024 RNEHEGRXCCRKBH-CQSZACIVSA-N 299.374 1.720 0 50 CDAA CCN1C[C@H](C(=O)NCCCc2ccccc2F)CC1=O 91433944 RXZQAUABCBWZAC-CYBMUJFWSA-N 292.354 1.743 0 50 CDAA CSCc1noc([C@H]2CCC(=O)N(C3CC3)C2)n1 92045537 OTXZKIPAAZKTTE-QMMMGPOBSA-N 267.354 1.801 0 50 CDAA COc1ccc(CN2CCCC[C@H]2c2nnc[nH]2)cn1 294407738 MJBFRXVCPZDENA-LBPRGKRZSA-N 273.340 1.936 0 50 CDAA CCc1cnc(N(C)C[C@H](C)N2CCOCC2)nc1 95391029 XFVLTBWPKQZMSW-LBPRGKRZSA-N 264.373 1.196 0 50 CDAA Cc1nc(Cn2ccnn2)n(CC2CCCCC2)n1 96180802 BPKQVWMUZMXEQI-UHFFFAOYSA-N 260.345 1.807 0 50 CDAA Cc1noc([C@H](C)N2CCN(Cc3cnoc3C)CC2)n1 181690124 AGGNGIKCHWFVNF-JTQLQIEISA-N 291.355 1.553 0 50 CDAA Cc1cc(O)nc(Sc2c(C)nn(C)c2C)n1 524734137 APHWDPZQUXZAIZ-UHFFFAOYSA-N 250.327 1.992 0 50 CDAA O=C1[C@@H](Nc2ncc(F)cn2)CCCN1c1cccnc1 182239817 XVMKBVKOCJEXOB-LBPRGKRZSA-N 287.298 1.618 0 50 CDAA O=c1cnc(Br)cn1Cc1ccccn1 255190049 UPNUGBZREKDVDK-UHFFFAOYSA-N 266.098 1.449 0 50 CDAA Cn1nc(CS(=O)(=O)c2ccccn2)cc1Cl 2325820204 GHHQCISKKTUVLZ-UHFFFAOYSA-N 271.729 1.442 0 50 CDAA C[C@]12CC[C@H]1C[C@H]2OC(=O)CSc1nc(N)cc(O)n1 253496337 LFHCXXKMFOBUED-DAROEXNTSA-N 295.364 1.588 0 50 CDAA COc1cc(N2CCN(C[C@@H]3CCCCO3)CC2)ncn1 184068940 PNKDGGINZRGMNM-ZDUSSCGKSA-N 292.383 1.176 0 50 CDAA O=C(O)[C@H]1COCCN1C(=O)CCc1cccc(Cl)c1 299753073 WSIQEGQBCPYOJS-GFCCVEGCSA-N 297.738 1.585 0 50 CDAA COc1ncc[nH]c1=N[C@@H]1CCCN(Cc2cccnc2)C1 534661881 PRMTWEISWXVXEA-CQSZACIVSA-N 299.378 1.379 0 50 CDAA CCN1C[C@H](CN(C)C(=O)c2cccnc2C)CC1=O 299799454 GLURFFQBQPJYQB-LBPRGKRZSA-N 275.352 1.330 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)c1cccc(N)n1 827573324 GZDVPMSDIQTLSR-VIFPVBQESA-N 274.328 1.327 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@](C)(CNCCCO)C1 585136791 SPLSBYVNGOSSFT-HNNXBMFYSA-N 286.416 1.996 0 50 CDAA O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cn[nH]c1 670452983 PAZRKIMPMOISDY-LLVKDONJSA-N 288.307 1.037 0 50 CDAA CN(CCN1CCCC1)C(=O)COC[C@H]1CCCCO1 584893113 WUCOBWOZHQKJSD-CQSZACIVSA-N 284.400 1.126 0 50 CDAA Cc1cc(C[C@H](C)n2cnc3cccnc3c2=O)n[nH]1 584895341 NMFNFOLWXKQPPI-JTQLQIEISA-N 269.308 1.627 0 50 CDAA COc1cc(C)nc(NC[C@@H](C(=O)O)C2CCOCC2)n1 863735623 YNUUQTFEBGNYQU-LLVKDONJSA-N 295.339 1.333 0 50 CDAA CO[C@H]1CN(CCCCOCc2ccccc2)C[C@@H]1O 670462636 LWOHHVIIVYOUHG-HOTGVXAUSA-N 279.380 1.675 0 50 CDAA COCC1(NC(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)CC1 1875300168 OQJIVTYXNARAPI-VHSXEESVSA-N 293.367 1.351 0 50 CDAA CN(Cc1cccn2nccc12)C[C@@H](O)c1cccnc1 1875320870 YJKXZHPQCXMAFI-MRXNPFEDSA-N 282.347 1.895 0 50 CDAA Cc1cc2c(cc1S(=O)(=O)NC(=O)C1(C)CC1)OCO2 1875324340 SYRUIWZJFBAXSQ-UHFFFAOYSA-N 297.332 1.329 0 50 CDAA C[C@H](NC(=O)N1CC2(CO)CCC1CC2)c1cn[nH]c1 1875304396 JGRJPVWBLCCUKD-JKDOVBDQSA-N 278.356 1.417 0 50 CDAA CN1CCN(C(=O)NCC2(F)CC2)c2ncccc2C1 1875316834 IJYCMWGGRUQUQP-UHFFFAOYSA-N 278.331 1.545 0 50 CDAA CCCN(CC)C[C@H](C)N=c1nc(C)nc2[nH][nH]cc1-2 1875286837 JBSREOUADBBERV-JTQLQIEISA-N 276.388 1.567 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)([C@@H](N)c2ccccc2)C1 958528574 QTIVACPRABCKEF-LBPRGKRZSA-N 278.352 1.668 0 50 CDAA COCCn1cnnc1[C@@H](C)NCc1ccc(OC)nc1 952868888 IPTOTPBVLPMJTM-LLVKDONJSA-N 291.355 1.179 0 50 CDAA CCn1cccc1CN1CCC[C@](O)(CC(=O)N(C)C)C1 886088787 MOSWEVHYGDFLCA-INIZCTEOSA-N 293.411 1.313 0 50 CDAA C=CC(=O)N[C@@H]1COc2ccc(Cl)cc2C1=O 1775999978 LDYMMJAOQHDZIG-SECBINFHSA-N 251.669 1.586 0 50 CDAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1CC(C)C 1775956981 KSIPVDHZUFSYJB-QWRGUYRKSA-N 268.361 1.421 0 50 CDAA COc1cccc([C@@H](C)C(=O)N[C@@H](CO)C(F)(F)F)c1 1365118154 CQOJHHHEDZGAPE-KCJUWKMLSA-N 291.269 1.838 0 50 CDAA C[C@H](CC1CC1)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 167412059 GAJDBEVVRVZNQD-NZNQWUEYSA-N 288.391 1.572 0 50 CDAA O=C(CSCCN1CCCC1)N1CCc2[nH]cnc2C1 95367815 GWZOFZCFOCOQTI-UHFFFAOYSA-N 294.424 1.123 0 50 CDAA COC(=O)c1cc(Br)c(OC)nc1OC 97454868 SGGLNDREJAQOHT-UHFFFAOYSA-N 276.086 1.648 0 50 CDAA in-vitro CCN(C)C[C@@H]1CCN(c2ncnc3nc(N)ccc23)C1 301769009 IKWZHIQTKUICAS-NSHDSACASA-N 286.383 1.385 0 50 CDAA C[C@@H](N)C(=O)Nc1cnn(-c2ncccc2Cl)c1 170070739 BDRDTTNNIXEAJF-SSDOTTSWSA-N 265.704 1.206 0 50 CDAA CC(C)c1ncsc1C(=O)N1CCO[C@@H]([C@H](C)O)C1 408471529 SQEQSQIAZAXLDP-VHSXEESVSA-N 284.381 1.488 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)c2ncoc2C)C12CCOCC2 187088889 RHEXEIKYNMAYNN-VXGBXAGGSA-N 294.351 1.687 0 50 CDAA C=CC(=O)N1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C 585086876 KNHNKSYBQBIQFD-PHIMTYICSA-N 252.358 1.666 0 50 CDAA CCCCS(=O)(=O)N1CC[C@H](CNc2ncccn2)C1 585080318 IIKHRVHUCBQQTL-GFCCVEGCSA-N 298.412 1.340 0 50 CDAA COC(=O)C[C@H]1Cc2ccccc2N1C(=O)c1ccn(C)n1 585127175 RXSLXZMXTSDIPL-GFCCVEGCSA-N 299.330 1.555 0 50 CDAA O=C(NC1(CO)CCCC1)c1ccnc(C2CC2)n1 679314049 NXVNRXUADVHCEM-UHFFFAOYSA-N 261.325 1.389 0 50 CDAA Cc1cc(S(N)(=O)=O)sc1-c1cn(C)nc1C 649441450 GXJLJZHBWFRISW-UHFFFAOYSA-N 271.367 1.413 0 50 CDAA O=C1C[C@@H](c2ccccc2)C(=O)N1CN1CCCCC1 196602374 IOOPWNNCXCQBHG-AWEZNQCLSA-N 272.348 1.973 0 50 CDAA CCC(CC)(C(=O)O)C(=O)N1C[C@@H]2CCC[C@@H](N)[C@H]2C1 656853146 UDMFVBVIYDXBLH-SDDRHHMPSA-N 282.384 1.463 0 50 CDAA CCOC(=O)c1ccc(S(=O)(=O)NC2(C)CC2)cc1 1191401802 QTSOSVCXKKZJJC-UHFFFAOYSA-N 283.349 1.694 0 50 CDAA CCCCCc1nnc(NC(=O)[C@@H]2C=CCN2)s1 1529177672 COJURKOTYSXGPL-VIFPVBQESA-N 266.370 1.737 0 50 CDAA Cc1cc(C)c(-c2nc([C@H](C)O)nn2CCCO)cn1 1857671982 BCEOUEZXEJVXMK-NSHDSACASA-N 276.340 1.393 0 50 CDAA CCc1cc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)on1 1704299546 QQIUIFHDYSITFQ-HZPDHXFCSA-N 293.411 1.516 0 50 CDAA CCOC(=O)c1cc2ccccc2nc1NC(=O)COC 1615587046 UMXAFEXPQKBPCA-UHFFFAOYSA-N 288.303 1.996 0 50 CDAA O=C(O)[C@H]1CN(C(=O)C2CCC2)C[C@@H]1c1ccncc1 222508159 OXZBSILOKBBAFF-OLZOCXBDSA-N 274.320 1.508 0 50 CDAA NCCCN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O 1615054889 BYXUJCPWKITPCM-MRXNPFEDSA-N 287.363 1.509 0 50 CDAA O=C(Cc1ccon1)N1CCC([C@@H](O)C(F)(F)F)CC1 532534883 SLUCHOLYYGNMMW-LLVKDONJSA-N 292.257 1.379 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@@H](C(=O)O)C1 237412340 VMABQPLHGGQBDY-OIBJUYFYSA-N 266.297 1.328 0 50 CDAA CCn1cc(CN(C)C[C@@H]2CCC(=O)N(C)C2)cn1 1775984125 ZJBRSTAMNLVJRU-LBPRGKRZSA-N 264.373 1.203 0 50 CDAA CC[C@H]1COCc2nnc(-c3cn(CC)nc3C)n21 1772816684 ZBZMMIBSDHIKIE-JTQLQIEISA-N 261.329 1.951 0 50 CDAA Nc1ncccc1CNC(=O)c1onc2ncccc12 1775981959 KTFCICWLBKXBDC-UHFFFAOYSA-N 269.264 1.130 0 50 CDAA O=Cc1cc2c(N3CCOCC3)nc(Cl)nn2c1 498050962 XYUWQCGFGUQFSR-UHFFFAOYSA-N 266.688 1.032 0 50 CDAA in-vitro Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2F)n1 5042687 WOXCACSIPUEZRD-UHFFFAOYSA-N 294.311 1.222 0 50 CDAA O=C(CSc1nccc(O)n1)NC1CCCCC1 5045216 KOQWVGWQJLASBG-UHFFFAOYSA-N 267.354 1.723 0 50 CDAA CCOC(=O)/C=C/c1cc(OC)c(O)c(OC)c1 5854402 DMQNLOWHFHPWEA-AATRIKPKSA-N 252.266 1.986 0 50 CDAA biogenic,in-vitro CSCCNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12455228 USETUKODNTVBRK-NSHDSACASA-N 284.425 1.647 0 50 CDAA Cc1cc(N2CCNCC2)c(Cl)cc1S(C)(=O)=O 15021295 CXWYOIWVCHEFMO-UHFFFAOYSA-N 288.800 1.462 0 50 CDAA CCOc1ccc(C(=O)N(C)Cc2nc(C)c[nH]2)o1 19789524 OTMCHSJAXUCTOY-UHFFFAOYSA-N 263.297 1.982 0 50 CDAA Cc1cc(=O)[nH]c(CCNC(=O)Cc2ccsc2)n1 19800187 FSHBGFLGZLADBT-UHFFFAOYSA-N 277.349 1.041 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3ccc(-c4cnco4)cc3)C[C@H]2N1 1857672401 BHKUIBZNQPNGGI-QWHCGFSZSA-N 297.314 1.302 0 50 CDAA O=C(CNc1cccnc1)NCc1[nH]nc2ncccc12 1857692662 OFYLXHRFXHFQII-UHFFFAOYSA-N 282.307 1.081 0 50 CDAA Cc1nc([C@H]2CN(C)CCO2)n(-c2ccc(F)cc2F)n1 1857717187 NFQDYMQVBYOGOF-CYBMUJFWSA-N 294.305 1.857 0 50 CDAA CN1Cc2cc(-c3cnc4[nH]nnc4c3)ccc2C1=O 1857736552 MHTNUCQNVQLTIJ-UHFFFAOYSA-N 265.276 1.606 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cncn2C)n1 408037656 GJKTYXFNSUJZCY-SKDRFNHKSA-N 277.328 1.074 0 50 CDAA CC(C)CNC(=O)CCCN1CC[C@@H](c2cnn(C)c2)C1 659933271 COICGGYQODNKTF-CQSZACIVSA-N 292.427 1.762 0 50 CDAA CC(C)C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 57456 RMOSZIHTPMEZAP-NSHDSACASA-N 261.277 1.782 0 50 CDAA in-vitro CCn1cnc2c(NC[C@@H]3CC[C@H](C)N3C)ncnc21 408518459 JJKWDPPNGQTXHQ-QWRGUYRKSA-N 274.372 1.741 0 50 CDAA CC(C)N1CCCC[C@H]1CNC(=O)N1CC[C@H]([C@H](C)O)C1 110714455 JVMIJQFUEURCEO-KKUMJFAQSA-N 297.443 1.662 0 50 CDAA Cc1csc(N2CCN([C@@H]3C[C@@H](C)OC3=O)C[C@@H]2C)n1 229543386 VFEBIGUUWYUGJD-QJPTWQEYSA-N 295.408 1.666 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1ccncc1C 643765887 MQSJMELFNZTGFR-OAHLLOKOSA-N 277.368 1.117 0 50 CDAA CCN1CN(C[C@H](O)COc2c(C)cccc2C)CC1=O 252493447 NCFYOQTZNJVJRO-AWEZNQCLSA-N 292.379 1.165 0 50 CDAA Cc1ccncc1[C@H](C)NC(=O)N1C[C@@H](F)C[C@@H]1CO 681985366 XKHZKTYWLDTVGT-SDDRHHMPSA-N 281.331 1.565 0 50 CDAA Cc1nc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C)C2)no1 583616781 RODZNNPNJJSQSK-JGVFFNPUSA-N 292.261 1.133 0 50 CDAA O=C(NC1CCCCC1)[C@]12CNC[C@H]1CCOC2 911896436 NKZDZAVJBKCWKV-RISCZKNCSA-N 252.358 1.061 0 50 CDAA COC(=O)c1ccc(CN(C)C(=O)[C@]2(F)CCNC2)cc1 843487750 XFRCDMHSLSIKTK-HNNXBMFYSA-N 294.326 1.133 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](C3(O)CC3)C2)nn1C 1772818604 VGXNZJCMODQFPZ-LLVKDONJSA-N 263.341 1.106 0 50 CDAA O=C(CCOc1ccccc1)N1CCC[C@H]1C1(O)CC1 1772813948 CGIXNISDGNVXCB-AWEZNQCLSA-N 275.348 1.971 0 50 CDAA CC(C)(C)OC(=O)N1CCOC2(CCC2)[C@@H]1C(=O)O 1857783029 KELYYSJPWVGGHV-VIFPVBQESA-N 271.313 1.630 0 50 CDAA COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)O)cc1F 252445547 AAJUTJCAAHQDDL-FXBDTBDDSA-N 281.283 1.732 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)NCCc2ccccc2C(=O)O)O1 155492117 NGOMZIVRKRIUQJ-MFKMUULPSA-N 277.320 1.611 0 50 CDAA O[C@H](COc1ccccc1)CN1CCOC[C@H]1C1CC1 270861944 IISCDXMINUYBTH-HOCLYGCPSA-N 277.364 1.537 0 50 CDAA CN[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 261758982 MSRPQFZBJLAHKL-CYBMUJFWSA-N 262.353 1.642 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)c1ccncc1 275308101 AULHCAXIEVCSOK-NSHDSACASA-N 256.309 1.271 0 50 CDAA Cc1cc(C(=O)NC[C@@H](CO)C(C)C)nc(C)n1 345957928 MEVBATOVYDRHFC-NSHDSACASA-N 251.330 1.088 0 50 CDAA Cn1nccc1CNc1ccc2c(c1)S(=O)(=O)CC2 180398320 LGTMGALCLJDWFW-UHFFFAOYSA-N 277.349 1.362 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@H]1CCCN[C@@H]1C 193451000 AXVRYIMJJRHDGW-YPMHNXCESA-N 282.409 1.668 0 50 CDAA Cc1csc([C@@H]2CN([C@H]3CCCN=C3O)CCO2)n1 328614450 RCNMKFVULQGOOB-QWRGUYRKSA-N 281.381 1.944 0 50 CDAA C[C@H]1C[C@@H](C(=O)O)CN(Cc2ccc(CO)cc2)C1 398956570 RWTLFCNRBUQVEU-SMDDNHRTSA-N 263.337 1.722 0 50 CDAA OCCCc1cn(C[C@H](O)c2ccccc2F)nn1 881407528 PMWYENFJYFZPIH-ZDUSSCGKSA-N 265.288 1.076 0 50 CDAA COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N 611571 YLUMVCNEFHTQHD-UHFFFAOYSA-N 295.302 1.619 0 50 CDAA aggregator CN1C(C)(C)CC(NC(=O)c2cc[nH]n2)CC1(C)C 973914 GTWKVMVNBOZCIN-UHFFFAOYSA-N 264.373 1.791 0 50 CDAA Cc1cc([C@H]2CCCN2C(=O)CCc2nc(O)n[nH]2)on1 2100473264 IBUITODBMSXXBP-SECBINFHSA-N 291.311 1.103 0 50 CDAA O=C(NCC1[C@@H]2CNC[C@@H]12)c1ccc(-c2cc[nH]n2)s1 2325800699 BWLGLLGROJZDNI-RKDXNWHRSA-N 288.376 1.333 0 50 CDAA CCn1cnnc1[C@H]1C[C@@H]1C(=O)Nc1ncc(C2CC2)o1 2325804626 AKHUGUGBLDNFPE-UWVGGRQHSA-N 287.323 1.906 0 50 CDAA CCc1cc(CN2CC(N3CCC(CCO)CC3)C2)on1 2325808373 VGXGXBAEBFUCFX-UHFFFAOYSA-N 293.411 1.516 0 50 CDAA COC[C@@H]1CN=C(NC[C@@H](Nc2ccccc2)C(C)C)N1 2325826663 IWCFEZHDVUYAPG-LSDHHAIUSA-N 290.411 1.687 0 50 CDAA CC1(C)COC(=O)[C@@H]1NC(=O)c1cccn2nccc12 879949972 AXFSBOBARZKHNM-NSHDSACASA-N 273.292 1.016 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCSC1=O 182411 DBGQJWYUVHXJQX-ONGXEEELSA-N 265.334 1.602 0 50 CDAA Cc1ccc(Cl)c(OCC(=O)NN2CCN(C)CC2)c1 2872579 QOYOAFIUUTVBNZ-UHFFFAOYSA-N 297.786 1.306 0 50 CDAA O=C(CN1CCCC1)NC[C@@H]1COc2ccccc2O1 2878884 XUKAEANAMAKHNU-GFCCVEGCSA-N 276.336 1.038 0 50 CDAA O=c1ccc(-c2cccs2)nn1C1CCNCC1 4343368 JXLJIFNULQJUMY-UHFFFAOYSA-N 261.350 1.896 0 50 CDAA N[C@H]1Cc2ccc(I)cc2C1 6094104 BIHPYCDDPGNWQO-VIFPVBQESA-N 259.090 1.717 0 50 CDAA in-vitro Cc1cnc(CNC(=O)c2csc3c2CCNC3)cn1 6747715 RJTYLXMTOZPIQP-UHFFFAOYSA-N 288.376 1.422 0 50 CDAA O=C(CSc1ncnc2[nH]cnc12)Nc1ccccn1 7344124 YGBWQYJJFMGTDY-UHFFFAOYSA-N 286.320 1.479 0 50 CDAA CC(C)COCCC(=O)N(CCO)CC(F)F 225430366 LSTBEULEYDQKRM-UHFFFAOYSA-N 253.289 1.135 0 50 CDAA NC(=O)c1cccc(NC(=O)COc2ccc(F)cc2)c1 9951761 YGAQWGGFQFDUKF-UHFFFAOYSA-N 288.278 1.942 0 50 CDAA C/C=C(\C)CN1CCC(Cn2cc(CCCO)nn2)CC1 20452742 AFZSLADOSKKGOT-LZWSPWQCSA-N 292.427 1.881 0 50 CDAA CN1CCN(C(=O)[C@H]2CCCO2)[C@@H](c2ccccc2)C1 229234918 ULEAUPJUKAQENY-HUUCEWRRSA-N 274.364 1.681 0 50 CDAA CCN1CCN(C(=O)CCN2CCCCCCC2)CC1 55088596 HDSGHXWSORIEFH-UHFFFAOYSA-N 281.444 1.807 0 50 CDAA CCOC(=O)N1CCC(N[C@@H](C)Cc2cc(C)n[nH]2)CC1 65498542 RYGJIDSNDVHUAU-NSHDSACASA-N 294.399 1.860 0 50 CDAA OCC1(O)CCN(Cc2ccc(-c3cc[nH]n3)s2)CC1 67878329 QKWYEUNZBWRBDZ-UHFFFAOYSA-N 293.392 1.457 0 50 CDAA C[C@H](c1n[nH]c(=O)n1Cc1ccco1)N1CCCC1 65504179 ZUBNUZFNSZWNQZ-SNVBAGLBSA-N 262.313 1.370 0 50 CDAA CCn1cnnc1CN(C)C(=O)/C=C/c1ccccc1 67771492 NTHJRNVEWKBQCU-MDZDMXLPSA-N 270.336 1.970 0 50 CDAA C[C@@H](NC(=O)CCCn1cccn1)c1cccnc1 68975167 SXSBZPJJLVCASH-GFCCVEGCSA-N 258.325 1.936 0 50 CDAA Cc1cc2c(=N[C@H]3CCO[C@@H]3c3ccnn3C)[nH]ccn2n1 424094246 LJCSJNMZQKEKDC-FZMZJTMJSA-N 298.350 1.135 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)c1cncs1 257702018 OVHNULQEUQEYCD-MRVPVSSYSA-N 254.311 1.613 0 50 CDAA O=C1CC[C@H](C(=O)Nc2ccc3nc(S)oc3c2)N1 121124280 IJVNEYJBADMLNK-MRVPVSSYSA-N 277.305 1.334 0 50 CDAA OC1(CNCc2cccc(Cl)c2)CCOCC1 112717037 CFUSOIHSMRXXAU-UHFFFAOYSA-N 255.745 1.971 0 50 CDAA O=C(NCCCn1ccnc1)c1ccc2nccn2c1 68510159 YQCPOKKDOGEXAR-UHFFFAOYSA-N 269.308 1.351 0 50 CDAA Cn1c(CCc2ccccc2O)nnc1SCC(=O)O 65491986 LORVUWKKUCMRQE-UHFFFAOYSA-N 293.348 1.483 0 50 CDAA OCC1(O)CCN(c2noc(-c3ccccc3)n2)CC1 67803555 NQBCFTHYERKGJR-UHFFFAOYSA-N 275.308 1.060 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)c1cccc2[nH]ncc12 328623137 IXGXCFGZJKSUHW-NSHDSACASA-N 295.346 1.752 0 50 CDAA CN(CCC(F)(F)F)C[C@@H]1CCCN(CCO)C1 67804123 YTERNYBKHGNKLP-NSHDSACASA-N 268.323 1.575 0 50 CDAA O=C(N=c1ccn([C@H]2CCNC2)[nH]1)C1(c2ccccc2)CC1 328630876 QJBFGRIFIWXHPO-AWEZNQCLSA-N 296.374 1.510 0 50 CDAA Cc1n[nH]c(C)c1CNC[C@@H]1CCO[C@H]1c1ccnn1C 328650665 VQWMJFGUEUOPDF-SWLSCSKDSA-N 289.383 1.627 0 50 CDAA CN1CCN(C(=O)C(C2CC2)C2CC2)C[C@@H]1c1ncc[nH]1 328615334 ATOMZKYJHSLSKA-CYBMUJFWSA-N 288.395 1.661 0 50 CDAA CN(C)Cc1c(C(=O)N2CC[C@H](N)C2)oc2ccccc12 237046352 LPAPHPJHTSJGKY-NSHDSACASA-N 287.363 1.668 0 50 CDAA C[C@@H](c1nccs1)N(C)CC(=O)Nc1cnccn1 65395775 JUVLRHUGNIFPKI-VIFPVBQESA-N 277.353 1.565 0 50 CDAA CO[C@H]1C[C@H](N(C)C(=O)Nc2ccnnc2)C12CCC2 333683514 BCTVRPLTSXRMSQ-RYUDHWBXSA-N 276.340 1.898 0 50 CDAA O=C(O)[C@H]1N(C(=O)C(F)(F)F)CCCC1(F)F 306145209 KPRJNVYYIWEUHN-SCSAIBSYSA-N 261.146 1.260 0 50 CDAA CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O 166181 VNRQLAGSSZUTTO-SNVBAGLBSA-N 275.301 1.213 0 50 CDAA CCOC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1 129525 PGEPATXNFACSGZ-UHFFFAOYSA-N 297.254 1.437 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NC[C@H](C)O)cc1C 32498305 JSSODTJOZAYUEM-NSHDSACASA-N 257.355 1.271 0 50 CDAA CNC(=O)CC1CCN(C2CSCCSC2)CC1 65381889 AZKXZOVAKWEDFU-UHFFFAOYSA-N 288.482 1.683 0 50 CDAA CC[C@H]1C(=O)NCCN1Cc1nc2cc(F)ccc2o1 151622112 WPJOIJUFLRLONQ-NSHDSACASA-N 277.299 1.677 0 50 CDAA CN(C)C[C@@H](NC(=O)Nc1cccnn1)c1ccccc1 152079303 BYATYMOICYUOAH-CYBMUJFWSA-N 285.351 1.901 0 50 CDAA CCc1noc(CN(C)C(=O)c2ccncc2Cl)n1 73072854 WJXANVOIGNCKLH-UHFFFAOYSA-N 280.715 1.953 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccnn1 152111539 BNVLGWSWPGTIDE-ZYHUDNBSSA-N 264.329 1.659 0 50 CDAA COc1ccc([C@@H](C)C(=O)N2CC[C@](F)(CO)C2)cc1 253392899 IUKBWUXFUFABID-IAQYHMDHSA-N 281.327 1.732 0 50 CDAA CCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 36132166 XNPPSQLGKDCRRF-UHFFFAOYSA-N 268.382 1.321 0 50 CDAA CC[C@@]1(O)CCN(C(=O)c2ccsc2)C[C@H]1O 72412177 SACWZNCEJWEEAD-ZYHUDNBSSA-N 255.339 1.096 0 50 CDAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)Cn1cc(C)cn1 253601379 QVVFUQDRWQXYRW-LSDHHAIUSA-N 290.411 1.667 0 50 CDAA COc1ncc(CN2CC(c3ccccn3)C2)cn1 72157693 IYOVIJIQNWEWHI-UHFFFAOYSA-N 256.309 1.480 0 50 CDAA Cc1nc(CCCC(=O)N2C[C@H](C)N[C@H](C)C2)cs1 153442729 IMAMVZXJVDDSGB-PHIMTYICSA-N 281.425 1.983 0 50 CDAA CNC(=O)c1cc2cc(NC(=O)[C@@H]3CCCO3)ccc2[nH]1 334623956 GPCQRENFWVFJHL-ZDUSSCGKSA-N 287.319 1.645 0 50 CDAA Cn1cncc1CNC1CCN(Cc2ccccn2)CC1 237922612 XKKASDZFAWEFEF-UHFFFAOYSA-N 285.395 1.569 0 50 CDAA C[C@@H](Cc1cccnc1)NC(=O)CCn1cccn1 215392715 GBPIJCKEAWDHGF-LBPRGKRZSA-N 258.325 1.416 0 50 CDAA CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)C1(C(=O)O)CC1 154906629 FRXFQZWMJYRAHO-QWRGUYRKSA-N 283.368 1.809 0 50 CDAA Cc1occc1CN(C)CC(=O)N1CCOC[C@H]1C1CC1 367240032 ITVLAQTXVFMZTN-HNNXBMFYSA-N 292.379 1.657 0 50 CDAA Cn1cc(CCC(=O)NC[C@H]2CCc3ccccc3O2)cn1 215310668 KKLKRDUXWJZBFO-OAHLLOKOSA-N 299.374 1.863 0 50 CDAA O=C(c1cc[nH]c1C1CC1)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 335952441 ONXHVVVPBLIVKJ-CMPLNLGQSA-N 294.376 1.151 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(c2ncc(Cl)cn2)C1 284540258 LRWFTZIYBYILLD-BDAKNGLRSA-N 280.719 1.215 0 50 CDAA CCc1nccn1CCC(=O)N1CC(c2cccnc2)C1 72169606 WSYDOFJLQQYROR-UHFFFAOYSA-N 284.363 1.857 0 50 CDAA COc1ccccc1CC(=O)N[C@H](C)c1n[nH]c(C)n1 215504741 SCKYNPBTSQTGRR-SECBINFHSA-N 274.324 1.542 0 50 CDAA CC[C@H]1COCCN1C(=O)CCc1nc(Cl)n[nH]1 77469998 NBQQQWHSAAPDFQ-QMMMGPOBSA-N 272.736 1.028 0 50 CDAA CCn1c(CN(C)C)nnc1C1CCN(C(=O)OC)CC1 77486562 YFZFLRVJZYRJKY-UHFFFAOYSA-N 295.387 1.305 0 50 CDAA CCCn1cc(CNC(=O)CN2CCCC2)cn1 223448234 AJVAELMECDDPPL-UHFFFAOYSA-N 250.346 1.005 0 50 CDAA Cc1cccnc1C[C@H](C)NC(=O)CCc1ccnn1C 426490736 QZVIEHQNYAVIGN-ZDUSSCGKSA-N 286.379 1.804 0 50 CDAA O=C(C[C@@H](n1cccn1)C(F)(F)F)N1CC(CCO)C1 613261615 MDXKPMHJPBXOCC-SNVBAGLBSA-N 291.273 1.217 0 50 CDAA Cn1ncc2c(=O)[nH]c(/C=C/c3cncs3)nc21 178323349 PNLJUJWPBKAINQ-NSCUHMNNSA-N 259.294 1.284 0 50 CDAA Cc1ccc(C(=O)N2CCN(C)C(=O)[C@@H]2C)n1C(F)F 426409321 MFAHOPXJKSSPDG-VIFPVBQESA-N 285.294 1.494 0 50 CDAA Cc1ccccc1-n1ncc(C(=O)N(C)[C@H]2CCNC2)c1C 179058602 WDYFQOJBJZVCCI-AWEZNQCLSA-N 298.390 1.923 0 50 CDAA C[C@@]1(C(=O)O)CCCN1C(=O)CN1CCCCCC1 426530367 DYXBUMRJDZJSFT-AWEZNQCLSA-N 268.357 1.328 0 50 CDAA O=C(O)CCC(=O)NC[C@H]1CCN(C2CCCCC2)C1 426401978 QWLNAOVBBFGQBJ-GFCCVEGCSA-N 282.384 1.622 0 50 CDAA Cc1nnc2ccc(N3CC[C@]4(CCCN(C)C4)C3)nn12 292650152 BQZOLSFMLQSDDA-HNNXBMFYSA-N 286.383 1.355 0 50 CDAA O[C@@H]1CN(Cc2cscn2)CC[C@H]1NC1CCCC1 426477986 JMCFWBLUDPPYGQ-ZIAGYGMSSA-N 281.425 1.611 0 50 CDAA O=C1C[C@@H](Nc2ncnc3c2ncn3C2CC2)CN1C1CC1 292886943 ZOKQEILASAZMRH-SECBINFHSA-N 298.350 1.336 0 50 CDAA Cc1ccnn1CC(=O)NC[C@@H]1COc2ccccc2C1 91551655 JMYRRJWKQUDAMO-CYBMUJFWSA-N 285.347 1.559 0 50 CDAA CS(=O)(=O)N1CCCC[C@H]1CCNc1ccncn1 91713414 GHSQHUJXIXBXKY-NSHDSACASA-N 284.385 1.093 0 50 CDAA C[C@H]1CCc2cc(F)ccc2N1C(=O)CN1CCOC1=O 95511978 LIUZJUSFTQIFRW-JTQLQIEISA-N 292.310 1.946 0 50 CDAA O=C1NCCN1CC(=O)N(C/C=C/c1ccccc1)C1CC1 95523233 NZVTVTUDTLWBHA-QPJJXVBHSA-N 299.374 1.716 0 50 CDAA Cn1cc(CN2CCC[C@@](CO)(CC3CC3)C2)cn1 92062078 MZJCEBVRVJDOHZ-OAHLLOKOSA-N 263.385 1.795 0 50 CDAA COCC(=O)N1CCC[C@@H](C(=O)NCC2=CCCCC2)C1 95507555 YGPYQDCJWFEUOR-CQSZACIVSA-N 294.395 1.488 0 50 CDAA CCc1cc(N2CCN3CCCC[C@H]3C2)nc(N(C)C)n1 244787737 QCSJFNOYXQECHL-AWEZNQCLSA-N 289.427 1.780 0 50 CDAA CCCS(=O)(=O)NCCOc1cccc2cccnc12 243610035 OXTKQAOFKKXCEJ-UHFFFAOYSA-N 294.376 1.943 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)CCCN2CCCC2=O)[nH]n1 244691890 JKVVPVDWNYWJKH-LLVKDONJSA-N 292.383 1.168 0 50 CDAA CCn1cc(C(=O)N2CCC(NC)CC2)c(C(C)C)n1 299740221 XCXQNPFQOUFSHS-UHFFFAOYSA-N 278.400 1.850 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CO)[C@@H](O)c1cccnc1 536953438 JMZIPTNZXSFSBX-QWRGUYRKSA-N 268.313 1.001 0 50 CDAA Cc1cnn([C@H](C)CNC(=O)c2c[nH]c(=N)s2)c1 534655946 WCKIWKCAFJKRTD-MRVPVSSYSA-N 265.342 1.052 0 50 CDAA COC[C@H](NC(=O)CCn1ccnc1C)c1ccccn1 534664265 HJHYEXFNDAUCRL-AWEZNQCLSA-N 288.351 1.481 0 50 CDAA COc1cc(Cl)ccc1C(=O)N1C[C@@H]2NCCO[C@H]2C1 534588650 FNHYDDFZZUUQNV-AAEUAGOBSA-N 296.754 1.161 0 50 CDAA Cc1ccc2nc(CNC(=O)C[C@H]3CCNC3)cn2c1 299787353 SXJUQPCSQFVOFG-GFCCVEGCSA-N 272.352 1.259 0 50 CDAA O=C(O)c1cc(Cl)nn2c(-c3ccncc3)nnc12 390825278 WBVANSRUSFSMQV-UHFFFAOYSA-N 275.655 1.538 0 50 CDAA CC1(C)C[C@]1(CNC(=O)Cn1nccn1)c1ccccc1 299801921 YYTZOTIDBVUPDH-INIZCTEOSA-N 284.363 1.762 0 50 CDAA COC(=O)[C@H]1CCN1c1cncc(Br)c1C=O 725345595 SPRZTFCNCPIXSN-SECBINFHSA-N 299.124 1.408 0 50 CDAA CC[C@@H](O)Cn1ncnc1-c1cc(F)ccc1OC 822619944 PVXFIVRXWXIGFC-SNVBAGLBSA-N 265.288 1.864 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)CN(C)C2CCCC2)[nH]1 822182675 FCUJRDFRTKRWIG-LLVKDONJSA-N 264.373 1.770 0 50 CDAA CN1C[C@H](C(=O)O)[C@@]2(CCc3ccccc3C2=O)C1 665887162 GKPIRPFNWLQJMF-IUODEOHRSA-N 259.305 1.448 0 50 CDAA CC(C)c1csc(CCNC(=O)C(=O)N2CCCC2)n1 584900424 JADDDZGOJLWXDY-UHFFFAOYSA-N 295.408 1.548 0 50 CDAA CCC1(CC)CN(C(=O)C[C@H]2CCOC2)CCO1 584902287 JZNQTEBJQXDULP-GFCCVEGCSA-N 255.358 1.831 0 50 CDAA C=CC(=O)N1CCN([C@H](C)c2nccs2)CC1 863971354 PYWOBUWRKHHFLL-SNVBAGLBSA-N 251.355 1.534 0 50 CDAA COC(=O)CCNC(=O)c1n[nH]c(C)c1C(F)(F)F 863948147 MDYOMIFWJQTZFU-UHFFFAOYSA-N 279.218 1.030 0 50 CDAA O=C(NCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCCN1 670433937 WVLKPOTZBAEBAO-JTQLQIEISA-N 278.743 1.585 0 50 CDAA Nc1ccc(I)c(Cl)n1 66054160 LTQCXIAUNZHCCC-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA in-vitro CCNc1nc(C)c(C(=O)N[C@@H](C)Cn2cncn2)s1 759224175 MTCHNQADCZGTSV-QMMMGPOBSA-N 294.384 1.293 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 1875306281 ZEQUIRGXAATLOH-PAUJSFGCSA-N 289.335 1.129 0 50 CDAA C=CC(=O)N1CC(C(=O)N2CCCC[C@@H]2C2CCC2)C1 1875387543 MPPYEWREEMOINI-CQSZACIVSA-N 276.380 1.812 0 50 CDAA O=C(Cn1ncnn1)Nc1ccc(Cl)c(C(F)F)c1 1875328105 YQKFAIBHDGPUQE-UHFFFAOYSA-N 287.657 1.903 0 50 CDAA CC(C)CCCCCCNC(=O)Nc1nnn(C)n1 874434840 FVVAPJWQJBXNSQ-UHFFFAOYSA-N 268.365 1.938 0 50 CDAA Cc1ccc(CC(=O)N2CCCC[C@@H]2Cc2nn[nH]n2)cc1 1875285889 DXSLGRNEZDESAM-CQSZACIVSA-N 299.378 1.674 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)NC(=O)C1CC=CC1 1875285576 RHCRZUXUAAJTHF-UHFFFAOYSA-N 295.360 1.775 0 50 CDAA Cc1cc(O)nc(C(=O)N[C@H](C)c2ccnc(C)n2)c1 1875256453 HGYVOKDNFMGMRY-SECBINFHSA-N 272.308 1.685 0 50 CDAA C[C@H](CC1CC1)C(=O)N[C@@H](CO)CCc1ccncc1 1875295578 KDURWVWCVNJLTQ-IUODEOHRSA-N 276.380 1.928 0 50 CDAA CN(C(=O)[C@H]1NCCOc2ccccc21)c1cn[nH]c1 1775539331 ROZLEMXSOBKBCV-ZDUSSCGKSA-N 272.308 1.096 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)Nc3cnc4[nH]ncc4c3)C[C@@H]21 1775960843 BDDRGHCPYKTOTF-RJVLYZLMSA-N 271.324 1.270 0 50 CDAA Cc1cccc(Cl)c1NC(=O)N[C@H]1CNC[C@@H]1O 1565507167 LYSVBJPHSLHUEY-UWVGGRQHSA-N 269.732 1.103 0 50 CDAA CCS(=O)(=O)N1CCN(Cc2ccccc2F)CC1 19520372 KFILBGUUHHQHGV-UHFFFAOYSA-N 286.372 1.293 0 50 CDAA CC(C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H](O)C[C@H]2CO)CC1 185823079 PEOJYEOIJLUQCI-QPSCCSFWSA-N 298.427 1.728 0 50 CDAA CN(Cc1ccco1)C(=O)c1c[nH]nc1[C@H]1CCOC1 275313731 OVPXKVRXRZMBNG-JTQLQIEISA-N 275.308 1.779 0 50 CDAA CN1CCO[C@@H](CN(CC2CC2)c2ncccn2)C1 275477455 AVIKUUFGVFURNA-CYBMUJFWSA-N 262.357 1.024 0 50 CDAA Cc1cn2nc(NC[C@H]3CCc4nccn4C3)sc2n1 275504224 CSTJGGMXUSRKHE-SNVBAGLBSA-N 288.380 1.970 0 50 CDAA O=C(Nc1ccc(F)cn1)N1CC[C@]2(CCOC2)C1 170599679 UGGGVXADFPIPGS-ZDUSSCGKSA-N 265.288 1.865 0 50 CDAA CC(=O)N1C[C@H](N=c2[nH]nc(C)o2)CC[C@@H]1C(F)(F)F 583616692 CROBHHABLYAIDC-RKDXNWHRSA-N 292.261 1.154 0 50 CDAA Cc1cccc(C)c1NC(=O)NCC(C)(CO)CO 585086501 QRWWJXRYGBBXIZ-UHFFFAOYSA-N 266.341 1.416 0 50 CDAA CCS(=O)(=O)C[C@@H](C)N(C)c1cc(C)nc(OC)n1 679634655 UIQOSXIXLBEXMK-SNVBAGLBSA-N 287.385 1.053 0 50 CDAA CC[C@@]1(C)CN(C(=O)Nc2cc(OC)ncn2)CCO1 190130813 NBTPTXREKLDFHG-ZDUSSCGKSA-N 280.328 1.518 0 50 CDAA CCn1nccc1CN(CCO)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 644084767 DUFSAEMEUIFYHE-KCQAQPDRSA-N 289.379 1.436 0 50 CDAA C[C@H]1CCN(C(=O)NCC(=O)NC(C)(C)C)CCS1 192224784 IHOVQXPCDJBJIF-JTQLQIEISA-N 287.429 1.438 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1ccc2cccnc2n1 711009079 WWMCDRMXKYENJT-LLVKDONJSA-N 271.276 1.319 0 50 CDAA Fc1ccc(CNCc2cn(C3CCNCC3)nn2)cc1 656457209 RYXZIVSOZBREBV-UHFFFAOYSA-N 289.358 1.632 0 50 CDAA COCC(C)(C)NS(=O)(=O)c1ccccc1C(=O)O 573203556 LVHBFVFUKMLZQM-UHFFFAOYSA-N 287.337 1.088 0 50 CDAA O=C(O)CN1CC[C@H](Oc2ccc(Cl)cc2)C1=O 663220104 XKHUEJMXTXFBJE-JTQLQIEISA-N 269.684 1.404 0 50 CDAA O=C(O)c1cc(S(=O)(=O)NCC2=CCCC2)cs1 663442481 AGBPOZVTCVEICU-UHFFFAOYSA-N 287.362 1.835 0 50 CDAA Cc1cc(N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)ncn1 766441624 UTDFOLPCTLERPJ-KBPBESRZSA-N 287.367 1.611 0 50 CDAA CN(C)C[C@H]1CCN(c2cc(NC3CC3)nc(N)n2)C1 1506419139 YFRISXXBPHRVMX-SNVBAGLBSA-N 276.388 1.021 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCCCN2CCOCC2)n1 1506424701 LCUBIYCOMWNJGR-AWEZNQCLSA-N 280.416 1.200 0 50 CDAA O=S(=O)([C@H]1CCOC1)N1CC[C@@H](CC2CC2)C1 336626491 SENPOHXPQJNBLC-RYUDHWBXSA-N 259.371 1.227 0 50 CDAA CCC(=O)N[C@@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875274691 RYEHQSIQGDMGIY-POYBYMJQSA-N 261.247 1.897 0 50 CDAA C=CC(=O)N1CCC[C@H](c2nn(C)cc2C(=O)O)C1 1615054881 BNEATBTUHNHWBJ-VIFPVBQESA-N 263.297 1.010 0 50 CDAA Cc1cc(NC(=O)[C@]23CNC[C@H]2CCOC3)cnc1C 1615547066 NOLOHQDOCBLYRX-DOMZBBRYSA-N 275.352 1.263 0 50 CDAA COC(=O)c1cc(CN(C)C(=O)C2(CO)CC2)oc1C 1615547445 AJQCCJKTGQBTQC-UHFFFAOYSA-N 281.308 1.106 0 50 CDAA C1C[C@H](NCc2nnnn2C2CC2)CCC2(C1)OCCO2 1615589485 YHUJMFDNJGDBIM-NSHDSACASA-N 293.371 1.173 0 50 CDAA CC(C)C[C@H](O)C1CCN(c2cncc(N)n2)CC1 1857677295 VDJCEALIPQUHJL-LBPRGKRZSA-N 264.373 1.682 0 50 CDAA CC(=O)NCCC1CCN(C[C@H]2CCC(=O)N(C)C2)CC1 1775983782 BVQXSZMQRQLZSB-HNNXBMFYSA-N 295.427 1.093 0 50 CDAA COc1ccc(-c2nn(CC(=O)O)cc2C=O)cc1 5028095 XHRPYZQGFKYPRQ-UHFFFAOYSA-N 260.249 1.456 0 50 CDAA CN(C)S(=O)(=O)N1CCO[C@@H](CCc2ccccc2)C1 11951578 FJCRASRTAFJFSF-AWEZNQCLSA-N 298.408 1.126 0 50 CDAA O=C(NCC(F)(F)F)Nc1ccnc([C@H]2CCCN2)n1 1857529236 WYIPQEGIZHKRQL-SSDOTTSWSA-N 289.261 1.585 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@H]2N1 1857676250 MPCCPFSRSYKJTD-DTWKUNHWSA-N 299.252 1.061 0 50 CDAA Cc1ccc2ncccc2c1-c1nccn1C(CO)CO 1857703738 XYSPAZVSGWWHHC-UHFFFAOYSA-N 283.331 1.932 0 50 CDAA Cc1nc(N2CCO[C@@H]3C[C@H](CO)C[C@@H]32)nc2c1CCC2 1857726746 AVKMZHXWOUJWSV-BYCMXARLSA-N 289.379 1.250 0 50 CDAA CCOc1ccnc(N[C@H]2C[C@H]3CO[C@H](C)CN3C2)n1 1857728739 BBKBSVMZWQHEGH-WOPDTQHZSA-N 278.356 1.149 0 50 CDAA N=c1cc(-c2nccn2C[C@@H]2CC(=O)N(C3CC3)C2)cc[nH]1 1857733269 CFVDFYADHLDPFK-NSHDSACASA-N 297.362 1.369 0 50 CDAA C[C@@H](NC(=O)C(=O)NC1CCCC1)c1ccccc1 2993660 AUOKASWAHOEQBW-LLVKDONJSA-N 260.337 1.923 0 50 CDAA Nc1ccc(-c2ccc(N)cc2C(=O)O)c(C(=O)O)c1 4202493 MKHDOBRSMHTMOK-UHFFFAOYSA-N 272.260 1.914 0 50 CDAA in-vitro Cc1cc(F)c(S(=O)(=O)N2CCCNCC2)cc1F 237655299 HHKKARVXHSPRSA-UHFFFAOYSA-N 290.335 1.257 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN2C[C@H](O)C[C@H]2C1 655300350 FBUJJITUUCLEFZ-SBJFKYEJSA-N 278.396 1.090 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2noc(C)n2)C1 579385215 WUGGTTRCXJIYFK-STQMWFEESA-N 280.372 1.063 0 50 CDAA CC1(C)CN(CCOCC(=O)O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 582127813 KEIGDSLRQVTCME-WWGRRREGSA-N 297.395 1.757 0 50 CDAA CC1(NC(=O)Cc2cccc(C(=O)O)c2)CCOCC1 262885426 YKEWHBRZANMCKD-UHFFFAOYSA-N 277.320 1.613 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1CC1CC(F)(F)C1 818264331 PWJXZQXTXQTMGL-GFCCVEGCSA-N 276.327 1.259 0 50 CDAA O=C(N[C@H]1CCCOC1)c1nnc(-c2ccns2)o1 902852977 CLMGUPRXQYEMBK-ZETCQYMHSA-N 280.309 1.102 0 50 CDAA Cc1cnc2c(cnn2CC(=O)Nc2ncn(C(C)C)n2)c1 905983660 GPRDHUOUDPAGHW-UHFFFAOYSA-N 299.338 1.551 0 50 CDAA O=C(C1CN([C@@H]2CCOC2)C1)N(C1CCC1)C1CCC1 908364049 MWAMHCKBUUFKDR-OAHLLOKOSA-N 278.396 1.641 0 50 CDAA O=C1CN(Cc2cnc(-c3ccccc3)o2)C2(CN1)COC2 931622556 ONIKHINQFKBOIQ-UHFFFAOYSA-N 299.330 1.042 0 50 CDAA O=C(Nc1cnsn1)NC1CCC(C(=O)O)CC1 841842432 TZTDUJAXZUQHKY-UHFFFAOYSA-N 270.314 1.303 0 50 CDAA O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1C1(O)CC1 1772810501 KLOIGPDGZMFRFJ-GFCCVEGCSA-N 271.320 1.692 0 50 CDAA C[C@@](O)(CNCc1cnc2n1CCC2)c1ccc(F)cc1 850225680 GHQKPNHHZOZATR-MRXNPFEDSA-N 289.354 1.966 0 50 CDAA Cn1ccc2ccc(C(=O)NCCn3ccnn3)cc21 1143634529 IJOSSSRPIBAVDU-UHFFFAOYSA-N 269.308 1.200 0 50 CDAA CCC1=NO[C@@H](CN(C)CCn2ccnc2C)C1 252481436 CMFCFUOFMSHOME-CYBMUJFWSA-N 250.346 1.678 0 50 CDAA Cc1cc2n(n1)CCN(Cc1nnc(C3CC3)o1)C2 252488432 IRTCOGOVSCCBAF-UHFFFAOYSA-N 259.313 1.468 0 50 CDAA C[C@H]1CN(C(=O)c2csc(C3CC3)n2)C[C@H](C)N1 153386242 ZBAOXTDLPNGNDS-IUCAKERBSA-N 265.382 1.843 0 50 CDAA Cn1nnc(CN(C[C@H]2CCCO2)C2CCCC2)n1 194438553 GPPIOEPVJJGBRO-GFCCVEGCSA-N 265.361 1.134 0 50 CDAA O=C1CCC(Cn2cc(Cl)c(O)nc2=O)CC1 329166080 HPBLSRFVZCWWDS-UHFFFAOYSA-N 256.689 1.362 0 50 CDAA Cc1nc(C)c(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)o1 379229337 SAVFNXFCRRLGEQ-IUCAKERBSA-N 291.273 1.786 0 50 CDAA Cn1nccc1[C@@H]1CCCN1Cc1nccc(N)n1 932266425 YEDCWLIEGNFSAT-NSHDSACASA-N 258.329 1.129 0 50 CDAA Cc1cc(-c2n[nH]c(N3CCOCC3)n2)ccc1F 2100480951 XWLBDAGAGSIGCT-UHFFFAOYSA-N 262.288 1.756 0 50 CDAA CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2 4214578 UXQDWARBDDDTKG-UHFFFAOYSA-N 280.412 1.650 0 50 CDAA in-man O=C(OCC(=O)N1CCC1)c1cc2cc(F)cc(F)c2[nH]1 2325789089 MEIPZAGMDKWYKQ-UHFFFAOYSA-N 294.257 1.835 0 50 CDAA CCNC(=O)CNc1nc2ccccc2nc1N1CCCC1 130846749 XXPCBPWATGLGCW-UHFFFAOYSA-N 299.378 1.778 0 50 CDAA O=C(NC(=S)NC[C@@H]1CCCO1)c1ccco1 70145 KPKAUMLDAVDVJC-QMMMGPOBSA-N 254.311 1.063 0 50 CDAA CCOc1ccc(S(=O)(=O)n2ccnc2C)cc1 380232 VZYQSRPNYPIHIT-UHFFFAOYSA-N 266.322 1.827 0 50 CDAA CNS(=O)(=O)c1ccc2c(c1)nc(SC)n2C 410245 KGBZWSUKCXYVCJ-UHFFFAOYSA-N 271.367 1.203 0 50 CDAA COc1ccccc1NC(=O)[C@H]1CC(=O)OC1(C)C 468578 KTGBHTQGBVOQGO-SECBINFHSA-N 263.293 1.975 0 50 CDAA COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1 611644 AKDDPMDJFJJCDW-UHFFFAOYSA-N 295.302 1.619 0 50 CDAA CCOC(=O)[C@H](C)CC(C)(C(=O)OCC)C(=O)OCC 2159791 QCTIOLMTJPOZIA-SNVBAGLBSA-N 288.340 1.708 0 50 CDAA Cc1cc(NC(=O)COc2ccc3c(c2)OCO3)no1 4503059 KPQPWBNVDJLIEO-UHFFFAOYSA-N 276.248 1.729 0 50 CDAA C[C@H](C(=O)O)N1C(=O)c2cccc3cccc(c23)C1=O 4905924 KIMLTYQVHBXGLG-MRVPVSSYSA-N 269.256 1.909 0 50 CDAA COc1cccc(CCNC(=O)c2cccn2C)n1 343827356 LJNVXKIQZBPNHY-UHFFFAOYSA-N 259.309 1.401 0 50 CDAA c1cnc(N2CCN(Cc3cccnc3)CC2)nc1 55542857 BIWFVKKMOVNTQZ-UHFFFAOYSA-N 255.325 1.194 0 50 CDAA Cc1cc(C)n(NC(=O)Cc2cc(C)no2)c(=O)c1 67920942 GONULXCGADHRIU-UHFFFAOYSA-N 261.281 1.074 0 50 CDAA COC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 252670890 LYPCPYMXBRGWRM-HZSPNIEDSA-N 281.327 1.395 0 50 CDAA CC(C)CO[C@H](C)c1noc([C@@H]2CC[C@@H](CN)O2)n1 328606536 RXYLQFYCBYCWFM-VWYCJHECSA-N 269.345 1.982 0 50 CDAA CN(C)[C@H]1CCCCN(C(=O)CCc2ccccn2)C1 82127737 KHIQWCNEHBLNSE-HNNXBMFYSA-N 275.396 1.957 0 50 CDAA O=C(NCc1ccco1)N1CCCC[C@@H]1CCO 253463849 TUMHYKFOENTYRJ-LLVKDONJSA-N 252.314 1.726 0 50 CDAA CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H]1CCOC1=O 257365300 FWSWBDBIQGSYPF-UPJWGTAASA-N 280.368 1.167 0 50 CDAA CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2cnccn2)c1C 215828793 GIRHIEURGZADFK-UHFFFAOYSA-N 286.335 1.896 0 50 CDAA CCn1cnnc1[C@H]1CN(Cc2ccco2)CCO1 328656251 ZEQDEFDOPOSBHK-GFCCVEGCSA-N 262.313 1.465 0 50 CDAA CCOC1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 219821922 RQYZWLKAHFIOAO-CQSZACIVSA-N 281.327 1.887 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 156377048 ODENXLTXQIWLDF-XFUXEANSSA-N 259.353 1.681 0 50 CDAA CCN1CCN(C(=O)C[C@H](C)SC)C[C@H]1c1ncc[nH]1 328633613 SQHHAJPEBVPHEG-RYUDHWBXSA-N 296.440 1.757 0 50 CDAA COc1ccc(/C(C)=C/C(=O)N2CCNC[C@H]2C)cc1 124465006 MPAWJQFOGLVZLA-RSKUSDAESA-N 274.364 1.919 0 50 CDAA C[C@@H]1CNCCN1C(=O)Cc1ccc(-n2cccn2)cc1 124773821 UBVIIZFZGFKXLU-CYBMUJFWSA-N 284.363 1.235 0 50 CDAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1C[C@H]1C(=O)O 262633774 OVTQHSIEEPLBKW-UONOGXRCSA-N 299.330 1.268 0 50 CDAA O=C(c1cc[nH]c1)N1CCCN(C(=O)c2ccco2)CC1 75034989 GUTKKMKWKMCMOW-UHFFFAOYSA-N 287.319 1.596 0 50 CDAA N=C(O)[C@H]1CC[C@@H](CNC(=O)NCc2cscn2)O1 332327941 PCMRKSSMVZGGDM-DTWKUNHWSA-N 284.341 1.025 0 50 CDAA CCOc1ncc(Cl)cc1[C@H]1OC(=O)NC1=O 39473155 PFNWXEOQAARPIO-SSDOTTSWSA-N 256.645 1.441 0 50 CDAA CN(C)C[C@H]1COCCN(Cc2cc(C(C)(C)C)[nH]n2)C1 72144597 BXGDHFFOESMHPS-CYBMUJFWSA-N 294.443 1.717 0 50 CDAA Cc1sc(=O)n(CC(=O)N[C@@H](C)[C@@H]2CCCOC2)c1C 332820814 ANPSMLDFQPITEE-JOYOIKCWSA-N 298.408 1.458 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)/C=C/c1cncc(F)c1 159734721 YYQDGXRJKGBSKP-ZYOFXKKJSA-N 278.283 1.700 0 50 CDAA CCCc1nc(N(C)CCN(C)C)c2cnn(C)c2n1 72146012 KBOUMOYGECAMLP-UHFFFAOYSA-N 276.388 1.314 0 50 CDAA O[C@@H](CC1CCCC1)Cn1nnnc1C1CCOCC1 333869708 UEEGKJMRMBVEGH-ZDUSSCGKSA-N 280.372 1.508 0 50 CDAA C[C@@H]1CN(C(=O)C2(N)CC2)C[C@H](c2ccsc2)O1 237552438 WWSCIWCJYLJSCA-MWLCHTKSSA-N 266.366 1.528 0 50 CDAA COCC1=CCN(C(=O)c2c[nH]cc(C)c2=O)CC1 334078090 JMUVCZZTIFXCKK-UHFFFAOYSA-N 262.309 1.102 0 50 CDAA Cc1c(Cl)c(C(=O)N2CCN[C@H](C)[C@H]2C)nn1C 335042608 DINNVLZDBPGFMR-HTQZYQBOSA-N 270.764 1.204 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1cc(C(C)C)on1 82136981 HCMRKROAEKFQIW-VIFPVBQESA-N 272.370 1.642 0 50 CDAA C[C@@H](NC(=O)c1ccc(C(=O)O)nc1)C1CCOCC1 177735387 MDBFBPAPEHJMBJ-SECBINFHSA-N 278.308 1.325 0 50 CDAA CCCCCNC(=O)c1c[nH]c2ccncc2c1=O 340731540 ADWMTHFJBOLWPY-UHFFFAOYSA-N 259.309 1.843 0 50 CDAA Cc1cnc(C)c(NC2CCS(=O)(=O)CC2)n1 88057791 ZINQKEZULLEOOQ-UHFFFAOYSA-N 255.343 1.083 0 50 CDAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3ncc(C)[nH]3)[C@H]2C1 426433592 HMODSTGSNCKISX-VNHYZAJKSA-N 279.384 1.877 0 50 CDAA CCc1oc(C(=O)N2CCO[C@@H](C(=O)O)C2)cc1C 178279716 VOLLYZFKTNPCAV-LLVKDONJSA-N 267.281 1.076 0 50 CDAA Cc1n[nH]c(CN2CCN(Cc3cccc(F)c3)CC2)n1 292582470 UMDLNIWWNXGPNN-UHFFFAOYSA-N 289.358 1.570 0 50 CDAA O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CCCCO1 178585034 PAFKFGSFJVOHSV-CYBMUJFWSA-N 286.335 1.453 0 50 CDAA CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)o1 221175838 TYARSVCIJAVGMH-MNOVXSKESA-N 292.335 1.371 0 50 CDAA CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 222848637 LFYDCKOLHAEOFY-CHWSQXEVSA-N 279.292 1.057 0 50 CDAA O=c1nc(CN2C[C@@H]3CCCCN3c3ccccc32)[nH][nH]1 293070336 ODSOJQOWMHPYEB-NSHDSACASA-N 285.351 1.477 0 50 CDAA Cc1ccc(N2C(=O)C[C@H](NCC3CC3)C2=O)cc1 95630529 IVXQJYGHXIWMRO-ZDUSSCGKSA-N 258.321 1.627 0 50 CDAA CCCCn1nc(-c2ccco2)nc1CNS(C)(=O)=O 96140611 PUEHAVAIVZLLAC-UHFFFAOYSA-N 298.368 1.387 0 50 CDAA CCOC(=O)[C@H](CC)n1cnc(Br)n1 238833229 AFUGJFFTEYXSSC-LURJTMIESA-N 262.107 1.555 0 50 CDAA Cn1ncnc1CCNc1ccnc(C(F)(F)F)n1 92062133 XIZFMBZYCNPMPU-UHFFFAOYSA-N 272.234 1.279 0 50 CDAA CCN(CC)CCNC(=O)NC[C@@H](O)c1ccc(O)cc1 426618399 UIJLTKBKIABKPI-CQSZACIVSA-N 295.383 1.067 0 50 CDAA Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)O 96231569 XWWYCHKAMUMGRU-UHFFFAOYSA-N 271.276 1.501 0 50 CDAA CC[C@H](C(=O)NCc1cn2cccnc2n1)n1cccn1 91951494 BUTQMULWSSLMEW-GFCCVEGCSA-N 284.323 1.193 0 50 CDAA Cc1cc(-c2cccc(CN3CCOCC3)c2)c(=O)[nH]n1 96152480 UIDCQYYIBAQHBE-UHFFFAOYSA-N 285.347 1.578 0 50 CDAA Cc1ccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)cc1O 92038366 NGYAKPDDKJVFNF-OKILXGFUSA-N 291.347 1.049 0 50 CDAA COCCC[C@]1(C(=O)O)CCCN(c2nccnc2C)C1 91643667 IGWJMCBOXAXTBJ-OAHLLOKOSA-N 293.367 1.883 0 50 CDAA O=C(O)Cn1nc([C@@H]2CCOC2)nc1CC1=CCCC1 97660474 MAOPQYGGTNKNJQ-LLVKDONJSA-N 277.324 1.519 0 50 CDAA CNc1nc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)cs1 92107136 LUILDWOBPCERON-LBPRGKRZSA-N 269.370 1.418 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccncc1 247707854 GLDIAQKUQXIAHS-ARFNZGECSA-N 266.300 1.639 0 50 CDAA CCn1c(CN(C)CCSC)nnc1[C@H]1C[C@@H](N)C1 253378475 GJQKLOOMOWVREN-PHIMTYICSA-N 283.445 1.298 0 50 CDAA O=C(c1c[nH]nc1C1CC1)N1CCC[C@H]1Cn1ccnn1 299742695 IMRNNPJLFCMICF-NSHDSACASA-N 286.339 1.183 0 50 CDAA C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)CNC2CC2)C1 299745198 WMBXMTMCVVIIKV-LSDHHAIUSA-N 293.455 1.851 0 50 CDAA O=C(NCc1noc(C2CCCC2)n1)N1CCSCC1 534653268 XSVANTMNZSVOAK-UHFFFAOYSA-N 296.396 1.986 0 50 CDAA CO[C@H]1CCN(S(=O)(=O)c2ccc(SC)cc2)C1 362123096 HOEZOJQSXZCQAT-JTQLQIEISA-N 287.406 1.818 0 50 CDAA CCc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(C(C)(C)C)n1 1940195235 QCGFNSFGKKNHRL-IVZWLZJFSA-N 252.362 1.161 0 50 CDAA CCC(=O)N[C@H]1C[C@H](C(=O)N2[C@@H](C)CC[C@H]2C)C[C@@H]1O 1940196558 RXEPQGRQTQMQAH-PPCPHDFISA-N 282.384 1.052 0 50 CDAA CCC1(C(=O)O)CCN(CCn2cnnc2C)CC1 822687512 NWAIHRVPASMHNM-UHFFFAOYSA-N 266.345 1.163 0 50 CDAA CN(C)CCCN1CCN(C(=O)[C@H]2CC2(C)C)CC1 823693103 XPDKONMAXTZMBX-CYBMUJFWSA-N 267.417 1.128 0 50 CDAA COCC(C)(C)NC(=O)N(C)[C@H](C)c1ccncn1 824340524 GREJTGQBJIVJHW-SNVBAGLBSA-N 266.345 1.604 0 50 CDAA CN(CCn1ccnc1)C(=O)c1cccc2c1CCC2=O 584898284 BBBZIULEMAJGQO-UHFFFAOYSA-N 283.331 1.784 0 50 CDAA CCc1[nH]nc2c1CN(C(=O)C(=O)c1cccn1C)CC2 584885094 NCKZAVVJHMIJKN-UHFFFAOYSA-N 286.335 1.078 0 50 CDAA O=C1OC[C@@H]2CN(c3ncnc4sccc34)CCN12 493424595 HJFWCUKZCHJUHW-QMMMGPOBSA-N 276.321 1.332 0 50 CDAA COCCn1cncc1CNC(=O)CCc1cccn1C 584890580 FRSBBTPGEKGIGJ-UHFFFAOYSA-N 290.367 1.117 0 50 CDAA C[C@@H](NC1CCN(Cc2ccco2)CC1)c1ncnn1C 584895481 KLEJXGREYUTABD-GFCCVEGCSA-N 289.383 1.723 0 50 CDAA CN1CC[C@]2(CCCN(C(=O)[C@H]3CC[C@@H](O)CC3)C2)C1 584892535 OYTYVXPKAVPBKF-IJEWVQPXSA-N 280.412 1.482 0 50 CDAA Cc1cccc(NC(=O)N2C[C@@H](O)C[C@]2(C)CO)c1 698199968 RGTKHWYDCANWGB-GXTWGEPZSA-N 264.325 1.345 0 50 CDAA Clc1cncnc1N1CCC[C@H]1c1nc[nH]n1 1875286774 FNLSEXVNTRJTKX-QMMMGPOBSA-N 250.693 1.590 0 50 CDAA CCN=c1nc(N2CCC[C@H](CO)[C@@H]2C)cc(C)[nH]1 1875286966 PAVZJDFUPPMPSR-NWDGAFQWSA-N 264.373 1.236 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)N1C(=O)C1CCC(C(=O)O)CC1 1875267391 WKPKZFSQVVHELB-AGVGLQIMSA-N 283.324 1.342 0 50 CDAA C=CC(=O)N(C)CC(=O)NCc1nc2c(F)cccc2o1 1875371035 MMEFASHLXHPAJX-UHFFFAOYSA-N 291.282 1.228 0 50 CDAA C=CC(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 1875368962 UFPMRIFYYLJEDV-HNNXBMFYSA-N 291.370 1.416 0 50 CDAA Cn1nccc1CCC(=O)Nc1ccc2c(=O)[nH]ccc2c1 1300543904 YHIJWKOENQRKMI-UHFFFAOYSA-N 296.330 1.833 0 50 CDAA CN(C)CC1(CO)CCN(C(=O)[C@H]2CC2(C)C)CC1 952989318 UQARXOPVZXHXIE-GFCCVEGCSA-N 268.401 1.195 0 50 CDAA Cc1cc(C)n(CC(=O)NC2(c3ccccc3)COC2)n1 888569424 OSJNRLPRLJNPRM-UHFFFAOYSA-N 285.347 1.542 0 50 CDAA C=CC(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1 1336682869 ZCJZLMVIECDLFU-JTQLQIEISA-N 259.265 1.082 0 50 CDAA O=S(=O)([C@@H]1CCN(C[C@@H]2CC=CCC2)C1)N1CCCC1 245689678 APUHFHMEHYJPQZ-HUUCEWRRSA-N 298.452 1.843 0 50 CDAA Cc1cc(CN2CC(=O)N(Cc3cccnc3)C2=O)on1 1776003442 PIZUTQGAABDMSH-UHFFFAOYSA-N 286.291 1.342 0 50 CDAA O=C(N[C@H](c1ncccn1)C1CC1)c1ccc(O)cn1 1363612932 HRYLEOHKHTXOSZ-LBPRGKRZSA-N 270.292 1.458 0 50 CDAA CSCCN(C)c1cc(N2CCCC2)ncn1 302873034 CGTYXZREUWVWAA-UHFFFAOYSA-N 252.387 1.876 0 50 CDAA Cc1nc([C@H]2CN(c3ccc(F)cn3)CCO2)n[nH]1 408102347 FENCDNKNLYWOEN-SNVBAGLBSA-N 263.276 1.225 0 50 CDAA COc1nc(C)cc(=N[C@H]2CCOC(C)(C)C2)[nH]1 408220276 UYVNSJAUUPCNKZ-JTQLQIEISA-N 251.330 1.585 0 50 CDAA COc1c(N)ncnc1N1CCC(Cc2cccnc2)CC1 581141784 DMKAOXUIGFZBGL-UHFFFAOYSA-N 299.378 1.922 0 50 CDAA c1cnc(N2CCC(c3nnc4n3CCCC4)CC2)nc1 274792123 YOXIIUXPTWJODE-UHFFFAOYSA-N 284.367 1.788 0 50 CDAA c1cc(CNC[C@H]2CCc3nccn3C2)n2ccnc2c1 275718940 YVXOGQICAZGVQF-CYBMUJFWSA-N 281.363 1.883 0 50 CDAA CC(C)[C@@H](O)CNC(=O)c1ccncc1C(F)(F)F 170091385 WBRGSEBACCJJKB-JTQLQIEISA-N 276.258 1.847 0 50 CDAA CN1C(=O)CC[C@H]1C(=O)Nc1cccc(-c2cnco2)c1 187300084 DYDBOMWNUFUBEH-LBPRGKRZSA-N 285.303 1.901 0 50 CDAA Cc1cnn(C[C@@H]2CN(c3nc(C)cnc3C)CCO2)c1 170595515 CAJZLMAOGYCQBK-AWEZNQCLSA-N 287.367 1.504 0 50 CDAA CC[C@@H](OC1CCCCC1)C(=O)NCc1nnc(N)o1 170601732 FLMVFVKNXIWEBE-SNVBAGLBSA-N 282.344 1.396 0 50 CDAA CCc1cnc([C@@H](C)NC(=O)NC[C@H](C)O)s1 170614784 FKOFPUKUPMQFFQ-JGVFFNPUSA-N 257.359 1.447 0 50 CDAA COCc1noc([C@H]2COc3ccc(O)cc3O2)n1 585138765 WBIBONJLWQAUAO-SNVBAGLBSA-N 264.237 1.434 0 50 CDAA COC(=O)[C@@H]1[C@@H](O)CCCN1C[C@H]1CC=CCC1 188782197 QRDSPMVLVNJYBD-AVGNSLFASA-N 253.342 1.341 0 50 CDAA c1cn(Cc2cc(C3CC3)no2)c(CN2CCOCC2)n1 641727634 IFVSUDABZYJNRE-UHFFFAOYSA-N 288.351 1.629 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc(F)c(F)c1 643763124 TYEXJRYNLDJUPF-CQSZACIVSA-N 284.306 1.431 0 50 CDAA CO[C@H]1CCC[C@H]1CN=c1[nH]c(=N)[nH]c2c1CCCC2 645204956 CXSPIVGCKRFHGB-GWCFXTLKSA-N 276.384 1.417 0 50 CDAA CCn1c(=O)n(CC(=O)Nc2cnccn2)c2ccccc21 192525999 KQKLKXKGVSXEDP-UHFFFAOYSA-N 297.318 1.252 0 50 CDAA CN(CCCNC(=O)[C@@H]1CC[C@H](N)C1)c1ccccc1 97092188 IIKUFHVUJGGZNK-KGLIPLIRSA-N 275.396 1.757 0 50 CDAA CCOC(=O)Nc1cc(OC)c(OC)cc1C(=O)O 19385348 CAUPEEFJVZWMNO-UHFFFAOYSA-N 269.253 1.970 0 50 CDAA C[C@@H]1CCN1C(=O)c1[nH][nH]c(=N)c1-c1ccccc1 1857691199 ZVNUZAWBYNWZLF-SECBINFHSA-N 256.309 1.724 0 50 CDAA COc1cnc(N2CCCN(C(C)C)CC2)nc1 1529158986 LWZPIBGQMDLQAP-UHFFFAOYSA-N 250.346 1.406 0 50 CDAA CCN1CCC[C@H]1C(=O)Nc1cnn(CC)c1C 1529194583 AISWRDJWQNFAOK-LBPRGKRZSA-N 250.346 1.634 0 50 CDAA CCC(CC)n1nccc1NC(=O)[C@@H]1CCC(=O)N1 1529101928 RDQRZWLJWJBMGS-JTQLQIEISA-N 264.329 1.461 0 50 CDAA CC(C)=CCCN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704303635 MVDSOJYEOHABQR-UKRRQHHQSA-N 261.369 1.668 0 50 CDAA COCc1cc(CNc2ncc(F)c(N(C)C)n2)[nH]n1 1704314156 QNMMZGJQUJTYHB-UHFFFAOYSA-N 280.307 1.163 0 50 CDAA COC[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCO2)CC1 331478482 PGPOOIUHBWDVHD-OLZOCXBDSA-N 291.413 1.244 0 50 CDAA c1ccc([C@@H]2Cc3nnc(Cn4cccn4)n3C2)cc1 1800408498 DYPPDSWCDWFVNX-CYBMUJFWSA-N 265.320 1.863 0 50 CDAA Clc1nc(I)nn2cccc12 30678525 ACSUHYOSODMNIG-UHFFFAOYSA-N 279.468 1.987 0 50 CDAA in-vitro Cc1nnc(CC(=O)NCC2(c3ccncc3)CC2)s1 1615557434 DUCWQYQTKQFUGX-UHFFFAOYSA-N 288.376 1.632 0 50 CDAA CCC(CC)(CO)CN(C)CC[C@@H]1COCCO1 1775984411 SMVVBVRXIQAHAT-CYBMUJFWSA-N 259.390 1.522 0 50 CDAA CC(C)N1C[C@H](CN2C[C@@H]3CC[C@H](C2)[C@H]3N)CCC1=O 1775980795 ARFQPENLOVSORF-AYDFFVQHSA-N 279.428 1.303 0 50 CDAA O=[S@](C[C@H](O)COCc1ccccc1)c1ccccn1 5593874 VDTYPVQPEWFVFB-VLIAUNLRSA-N 291.372 1.767 0 50 CDAA CN1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 12574527 DYTPRJZEWBJYCO-GFCCVEGCSA-N 265.401 1.071 0 50 CDAA CCCN1CCN(C(=O)Cc2ccccc2F)CC1 13324186 GSKZNLCGFAKVRA-UHFFFAOYSA-N 264.344 1.922 0 50 CDAA CC(C)(C)NC(=O)c1cc(CN2CCOCC2)on1 15066529 LGIYFTDVZABVKA-UHFFFAOYSA-N 267.329 1.035 0 50 CDAA CN1CCc2cc(-c3cc(=N)[nH]c(N4CCCC4)n3)cnc21 1875249033 GIDCQKFTKBQFRO-UHFFFAOYSA-N 296.378 1.544 0 50 CDAA CCC1(CO)CCN(C(=O)c2csnn2)CC1 408037594 FQVJWPYIIHWJBY-UHFFFAOYSA-N 255.343 1.163 0 50 CDAA NC(=O)c1ccc(NC(=O)CC2CCNCC2)cc1F 225470981 MPUHXBMKOVBCJO-UHFFFAOYSA-N 279.315 1.253 0 50 CDAA CCOc1ccc(NC(=O)N2C[C@@H](C)[C@@H](CN)C2)nc1C 632954869 GDTFYXYZPUOIPS-PWSUYJOCSA-N 292.383 1.847 0 50 CDAA NC(=O)C[C@@]1(O)CCCN(Cc2cccc3[nH]ccc23)C1 643746096 COQRHISDIPRVDA-INIZCTEOSA-N 287.363 1.370 0 50 CDAA O=C(N[C@H](C(=O)O)c1cc(F)ccc1F)[C@@H]1CCCO1 739369934 VDZSJJINADEAMD-QWRGUYRKSA-N 285.246 1.386 0 50 CDAA CC(C)(C)c1ncsc1C(=O)N1CCO[C@@H](C(=O)O)C1 236768320 BXOBHYSEOFOPRO-MRVPVSSYSA-N 298.364 1.366 0 50 CDAA CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)O 236768873 YFDIVWHKRFFEOH-LBPRGKRZSA-N 289.291 1.576 0 50 CDAA N[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)C1 238063183 IJLHATVBWCREKW-GJZGRUSLSA-N 291.370 1.350 0 50 CDAA COc1ccc(CN2CC[C@@H](O)C[C@H]2C(=O)O)c(OC)c1 248147357 UFTWRJINCLQPPJ-YPMHNXCESA-N 295.335 1.114 0 50 CDAA Cc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ccn1 363696257 CRRDZCQWOJAZAN-OAHLLOKOSA-N 288.395 1.309 0 50 CDAA CC1CCN(C(=O)c2cn3cc(CN)ccc3n2)CC1 911947512 JEBIDAKKRXLWFW-UHFFFAOYSA-N 272.352 1.665 0 50 CDAA C[C@@H](CNC(=O)CCC(N)=O)c1nc2ccccc2o1 828019341 QNTWFFOEZARJDZ-VIFPVBQESA-N 275.308 1.313 0 50 CDAA Cc1ccc(F)c(CN(C)Cc2nnc(O)o2)c1F 930757703 BYOQFKPKRKWGLE-UHFFFAOYSA-N 269.251 1.994 0 50 CDAA O=c1c2cnccc2ccn1CCO[C@H]1CC1(F)F 853696174 AYECECPZXZSKIM-NSHDSACASA-N 266.247 1.821 0 50 CDAA O=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)cc1 246116 RWOHAUOVGNDHMW-SNVBAGLBSA-N 275.757 1.797 0 50 CDAA CCOC(=O)C1CCN(C2CCN(C)CC2)CC1 300887 GYRNYRHEGWCFOK-UHFFFAOYSA-N 254.374 1.356 0 50 CDAA Cc1cc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)on1 221022333 UNMZVTWTXORFAZ-VWYCJHECSA-N 278.308 1.841 0 50 CDAA Cc1ccc(F)cc1S(=O)(=O)NCC[C@H]1CCNC1 110797229 HFHNZZZUVDOJDY-LLVKDONJSA-N 286.372 1.412 0 50 CDAA Cc1ccc(C)c(CC(=O)N2CCO[C@H]([C@@H](C)N)C2)c1 127868013 MCRWVYRTFWGVLE-HIFRSBDPSA-N 276.380 1.421 0 50 CDAA CC(C)n1nccc1C(=O)N1CC[C@@H](C(=O)O)C1 663023405 VICIURRTNOMKNG-SECBINFHSA-N 251.286 1.011 0 50 CDAA C[C@@H](O)[C@H]1CCCN1c1ncc(C(N)=O)cc1Cl 664442527 YIKAZWLTGJFXJQ-GMSGAONNSA-N 269.732 1.184 0 50 CDAA CN1CCC[C@@H](CN(C)C(=O)[C@H](N)c2ccccc2)C1 299740136 WEEYJRVVIVIRKZ-UKRRQHHQSA-N 275.396 1.487 0 50 CDAA N[C@]1(C(=O)O)CCN(Cc2ccc3occc3c2)C1 67846922 ULBSXSBQBJQYHM-CQSZACIVSA-N 260.293 1.421 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)N2CC[C@H](F)C2)c(F)c1 414321818 FQBGPMFHFNXORA-QMMMGPOBSA-N 291.275 1.256 0 50 CDAA Cc1nc(CNC(=O)[C@H]2OCCc3ccccc32)n[nH]1 889704442 QACXBMGTEMIHOH-ZDUSSCGKSA-N 272.308 1.043 0 50 CDAA CSCCN1CCN(Cc2ccc(CO)o2)CC1 952990587 ZPGRLHQVZWXWDZ-UHFFFAOYSA-N 270.398 1.253 0 50 CDAA CCn1cnc2ncc(N3CCC(C(=O)O)CC3)nc21 1908708301 NJDURDAJHMLTKO-UHFFFAOYSA-N 275.312 1.147 0 50 CDAA CC(C)C[C@H](CN)CC(=O)OC[C@@H]1CCCOC1 408525691 UFMMJAYUTVQJBJ-OLZOCXBDSA-N 257.374 1.967 0 50 CDAA CN(C)CC(C)(C)CNC(=O)c1cccc2ncnn12 359843117 ROLZEDCVNVTJNW-UHFFFAOYSA-N 275.356 1.047 0 50 CDAA COc1cc(OC)cc([C@@H](O)CNC2=NCCCCN2)c1 849216119 VIOZVTSCQBEUGG-AWEZNQCLSA-N 293.367 1.066 0 50 CDAA C[C@H]1CCCc2cc(C(=O)N(C)CC3CN(C)C3)nn21 2325792497 JBUZHJPBRVBMRS-NSHDSACASA-N 276.384 1.414 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@@H]3C[C@H](CN)C3(C)C)c2c1 2325800128 RJGINEWMUQNXPW-BXUZGUMPSA-N 286.379 1.746 0 50 CDAA O=c1nc2n(c3cc(Cl)ccc13)C[C@H]1COCCN21 2325879762 GYAOLUGYRMTLEG-VIFPVBQESA-N 277.711 1.269 0 50 CDAA O=C1C[C@H](CC(=O)Nc2ccc(C3CC3)cc2)C(=O)N1 935219214 OUMXNYUBWWVORR-NSHDSACASA-N 272.304 1.555 0 50 CDAA O=C1c2cnn(-c3ccccc3)c2NC2=NCCCN12 1857795692 WHPDNOLOCMLNTJ-UHFFFAOYSA-N 267.292 1.500 0 50 CDAA O=S(=O)(NC[C@@H]1CCCO1)c1cccc2cccnc12 89497 JHXQMSIJNVPFRN-LBPRGKRZSA-N 292.360 1.692 0 50 CDAA COc1cc(NC(=O)Cc2ccccc2)nc(OC)n1 196407 KFZKBHLCFYRICJ-UHFFFAOYSA-N 273.292 1.675 0 50 CDAA Cc1cccc(CC(=O)N2CCC[C@@]23CCCNC3=O)c1 2356148769 QTMKUWPFAMNLFF-QGZVFWFLSA-N 286.375 1.809 0 50 CDAA COC(=O)CNC(=O)N1CCCc2ccccc2C1 2356154674 FMGMWIYRZFOHJG-UHFFFAOYSA-N 262.309 1.317 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)NCCCc1c(C)n[nH]c1C 2356163873 VKUOHKDTFGBASP-GFCCVEGCSA-N 298.456 1.544 0 50 CDAA O=C(Cc1ccccc1)NCCCNC(=O)c1ccccn1 4487433 AZIZXLAHQGJSPN-UHFFFAOYSA-N 297.358 1.560 0 50 CDAA O=C(O)C1CCN(C(=O)c2ccccc2F)CC1 4592943 IXXILHJJXBPAHT-UHFFFAOYSA-N 251.257 1.763 0 50 CDAA O=C(Nc1nncs1)[C@H]1CC(=O)N(C2CCCC2)C1 6698029 HBJUVEIWJZMBKW-QMMMGPOBSA-N 280.353 1.268 0 50 CDAA O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 6702532 BMEUKMAHPWJQSR-LLVKDONJSA-N 287.768 1.186 0 50 CDAA CC(=O)N1CCC[C@H](c2nnc(S)n2C2CC2)C1 111138205 SPOGKZBIRNULKU-VIFPVBQESA-N 266.370 1.628 0 50 CDAA COc1ccc(Cl)cc1Nc1ncnc(N)n1 8731936 QATKZANNFDKVAP-UHFFFAOYSA-N 251.677 1.859 0 50 CDAA Cc1c(-c2ccnc(N3CCCCC3)n2)cnc2ncnn12 54201954 DMQNHPREQUWUCI-UHFFFAOYSA-N 295.350 1.880 0 50 CDAA O=c1c2c([nH]c3[nH]n(-c4ccccc4)c(=O)c13)CCCC2 9331401 HUJBOZGSKPYHLP-UHFFFAOYSA-N 281.315 1.886 0 50 CDAA C[C@@H]1CC[C@H](O)CN1CCC(=O)N1CCc2ccccc21 421031806 WEPZZYZOUCSIPD-HIFRSBDPSA-N 288.391 1.811 0 50 CDAA COc1ccc2[nH]c(=O)c(CN(C)Cc3ncc[nH]3)cc2c1 67654622 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1.438 0 50 CDAA OC[C@@H]1CCCCN1CCCNCc1nccs1 952965154 QLXNIPRKLFLVQZ-LBPRGKRZSA-N 269.414 1.470 0 50 CDAA Cc1cccc(CCN[C@H](C)CN(C)CCO)c1 952974493 JAUMMRRSPYXYDQ-CQSZACIVSA-N 250.386 1.440 0 50 CDAA NC1=CCN(C(=O)C2(c3cccc(Cl)c3)CC2)N1 887556536 ZSLIAVXEBRDMMA-UHFFFAOYSA-N 263.728 1.519 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2cnnc(C)c2)C1 888077740 RTKBLGMCNFNTDX-VXGBXAGGSA-N 287.323 1.110 0 50 CDAA Cn1nc2ccccc2c1-c1noc([C@H]2OCC[C@H]2CN)n1 888078356 LKXVEAXIKASDIG-ZANVPECISA-N 299.334 1.660 0 50 CDAA CCn1nc(C(=O)N[C@@H](c2ccncc2)C2CC2)ccc1=O 890916097 MODNTXXLDHSVDY-OAHLLOKOSA-N 298.346 1.539 0 50 CDAA C[C@@H]1COCCN1Cc1cn(-c2ccc3nc[nH]c3c2)nn1 899727664 IWJQGMUQYJZCMG-LLVKDONJSA-N 298.350 1.364 0 50 CDAA CC(=O)N1CCCN(Cc2ccn3nccc3c2)CC1 1237548152 GTTFJOYSPRXCKK-UHFFFAOYSA-N 272.352 1.389 0 50 CDAA O=C(N[C@@]12CCCN(CC1)C2)c1cc2ccccn2c1 1471356673 CYZPUIRUBZIDBS-INIZCTEOSA-N 269.348 1.907 0 50 CDAA Cc1cnc(C(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)o1 631476938 TVSOLRVBEHHCBM-GFCCVEGCSA-N 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289.319 1.578 0 50 CDAA Cc1nn(-c2ccccc2)cc1N[C@@H]1CCNC1=O 585138118 PAAFHFOQUHRGPQ-GFCCVEGCSA-N 256.309 1.481 0 50 CDAA Cc1cc(=O)cc(O)n1Cc1cn2c(n1)SCC2 1547208953 PMUVIRVKTGRVHF-UHFFFAOYSA-N 263.322 1.213 0 50 CDAA CNc1snc(C)c1C(=O)N[C@H]1C[C@@](C)(O)C1 333161208 LYVHQKFVXNWVJZ-DGFRNANFSA-N 255.343 1.136 0 50 CDAA COC(=O)[C@@H](C)N1CCO[C@@H](Cc2ccccc2)C1 245605701 HXRUJOKHEIMCFN-OCCSQVGLSA-N 263.337 1.491 0 50 CDAA Cc1cc(C(=O)N(CCC(=O)O)C2CCOCC2)on1 562324737 BHELNAUJPZFZMG-UHFFFAOYSA-N 282.296 1.079 0 50 CDAA NC(=O)COC1CCN(C[C@@H]2CC3CCC2CC3)CC1 1615002529 JGGXGNXWTDEQIS-RUXDESIVSA-N 280.412 1.779 0 50 CDAA O=c1cc(Br)cnn1Cc1ccncc1 1565505325 NRIUXZSCLQGHSS-UHFFFAOYSA-N 266.098 1.449 0 50 CDAA O=C(c1ccc(O)cn1)N1CC(Cc2ccco2)C1 1632870745 BGBBXKDEORPEJT-UHFFFAOYSA-N 258.277 1.695 0 50 CDAA Cn1nccc1-n1nc([C@H]2CCOC2)nc1C1CC=CC1 1772810071 IKPXJGKAYSSORC-LBPRGKRZSA-N 285.351 1.938 0 50 CDAA CC(C)c1cccc(N2CC[C@@H](O)[C@@H](C(=O)O)C2)n1 1772706672 KPKTUBLNINALQP-CMPLNLGQSA-N 264.325 1.477 0 50 CDAA COC(=O)CCCC(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1 12595284 PQQDIGLMUJVEIB-LLVKDONJSA-N 298.383 1.093 0 50 CDAA CN1CCN(C2CCN(Cc3ccccc3)CC2)CC1 19637153 DOHZFLAAIVWAKA-UHFFFAOYSA-N 273.424 1.898 0 50 CDAA CCc1ccnc(C(=O)N2CCC(NC(=N)O)CC2)c1 330646012 LPJJUKHHUFZFNI-UHFFFAOYSA-N 276.340 1.331 0 50 CDAA CC(C)c1ncsc1C(=O)NCc1nc(C(N)=O)co1 617486231 JSDYBTBTEOZTJQ-UHFFFAOYSA-N 294.336 1.283 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 630156778 ODWQELQXARTPAQ-BXKDBHETSA-N 279.723 1.913 0 50 CDAA C[C@H]1CN(C[C@H](O)COC2CCCCC2)C[C@@H](C)O1 12414141 WRNHQEHAJUBKFK-MJBXVCDLSA-N 271.401 1.806 0 50 CDAA CO[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc(Cl)cc1 262421848 QHDRPTGUTQXKJP-QJPTWQEYSA-N 297.738 1.864 0 50 CDAA CC(C)(Oc1ccc(F)cc1)C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263192698 ITYSRNSDEBKVBM-JGZJWPJOSA-N 295.310 1.963 0 50 CDAA CO[C@H](C)c1noc(CN(C)C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)n1 267119909 JQMGDFHGTSOHLO-NOOOWODRSA-N 291.351 1.948 0 50 CDAA O=C(CCCCc1ccccc1)N1CC[C@H](CO)[C@H](O)C1 907682643 ASTFDZLGXMVEQA-HZPDHXFCSA-N 291.391 1.601 0 50 CDAA CC[C@@H](O)[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 913169451 ZUAPQKHTDXIPIB-GFQSEFKGSA-N 255.358 1.014 0 50 CDAA C[C@@](C[C@H]1CCOC1)(C(=O)O)n1cc(C2CC2)cn1 1776007185 WLROQFJBDMEHCU-QMTHXVAHSA-N 264.325 1.987 0 50 CDAA NC(=O)[C@]1(O)CCCN(Cc2ccc(F)cc2Cl)C1 225476634 OLPXLXDTZDQXAW-ZDUSSCGKSA-N 286.734 1.291 0 50 CDAA CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)OC)C1 252321484 APKCRDRIVYWYDH-NEPJUHHUSA-N 265.357 1.644 0 50 CDAA CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)o2)cc1 4804926 SNTVMCUAZJRDEN-UHFFFAOYSA-N 294.332 1.748 0 50 CDAA COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1CN 237105424 ATQPOLKQFUWVST-LBPRGKRZSA-N 278.352 1.332 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCOc1ccccc1F 237471541 BPSLZRXXAMVLIJ-NEPJUHHUSA-N 280.343 1.933 0 50 CDAA O=S1(=O)CCCN1[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1 328588244 MLKWFZIDPBOEOJ-HUUCEWRRSA-N 298.452 1.843 0 50 CDAA Cc1cc([C@@H]2CCCN(CC(=O)NCC3CC3)C2)n[nH]1 364428169 VVFSCFFBNIDUAY-CYBMUJFWSA-N 276.384 1.424 0 50 CDAA CC(C)C[C@H](NC(=O)c1ccnc2c1cnn2C)C(=O)O 2325788551 NZVYWDICYVOFHY-NSHDSACASA-N 290.323 1.197 0 50 CDAA CCC[C@@](C)(CO)NC(=O)c1nccc2ccncc12 2325806301 DSYZCFMZPORHSZ-HNNXBMFYSA-N 273.336 1.911 0 50 CDAA CC1(C)C[C@H]1CCC(=O)N[C@]1(c2nn[nH]n2)CCSC1 2325807799 TUWGULFBJNZFMJ-NOZJJQNGSA-N 295.412 1.474 0 50 CDAA CCN1CCN=C1NC[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12 2325820563 AMDOZRNAFASPLJ-RRFJBIMHSA-N 255.365 1.853 0 50 CDAA COc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 267614 ALJZFUNHEUBSCR-UHFFFAOYSA-N 295.302 1.923 0 50 CDAA O=C(c1cnccn1)N1CCN(c2ccccc2)CC1 436779 YGXCVPICDCNTSQ-UHFFFAOYSA-N 268.320 1.439 0 50 CDAA CC(C)CNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 2458475 WWGNKNRZSWOIRM-LBPRGKRZSA-N 298.408 1.613 0 50 CDAA O=C1N(CCc2ccccc2)CCC[C@]12CCCN2 2356155810 NOBGFWSEKPTHJW-MRXNPFEDSA-N 258.365 1.974 0 50 CDAA CC(=O)OCc1coc(C(C)=O)c1COC(C)=O 3091239 SKHYQHDPMMOLPW-UHFFFAOYSA-N 254.238 1.608 0 50 CDAA CCCCc1nnc2n1[C@@H](C)C(=O)N(CCOC)C2 2356162199 BMWDCMSZVIOAQS-JTQLQIEISA-N 266.345 1.170 0 50 CDAA CCCc1n[nH]c2c1C(=O)[C@H](C(=O)OC)C(C)(C)C2 3996055 RAPNLQUSFGDJTM-LLVKDONJSA-N 264.325 1.916 0 50 CDAA COC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 6697366 VWBYCVCFXZYYQQ-MRVPVSSYSA-N 293.772 1.662 0 50 CDAA CNC(=O)COC(=O)CCSc1ccc(C)cc1 7740417 AJBQYRSJUTZQEE-UHFFFAOYSA-N 267.350 1.766 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)NCC[C@H]1CCNC1 110797223 NVWAEUWVCGHUEM-LLVKDONJSA-N 286.372 1.412 0 50 CDAA CO[C@@H](C)CCOC(=O)Cc1ccc([S@](C)=O)cc1 225528298 HVUUXRAKEZLWOU-WLRWDXFRSA-N 284.377 1.935 0 50 CDAA O=c1c2c([nH]c3nnnn13)-c1ccccc1CC21CCCC1 100669691 PJYJIENQZYFWQQ-UHFFFAOYSA-N 293.330 1.848 0 50 CDAA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cc[nH]n2)c1 225740528 BNEDKPUQUXSQAK-RISCZKNCSA-N 287.319 1.366 0 50 CDAA CO[C@H]1C[C@@H](CN(C)Cc2nc(CC(C)C)no2)N(C)C1 345137874 RLJLCDMQWQRSKM-STQMWFEESA-N 296.415 1.419 0 50 CDAA c1ccc(C[C@@H]2CN(c3ncnc4n[nH]cc34)CCO2)cc1 345112228 ZPIKOCODEAFACM-CYBMUJFWSA-N 295.346 1.801 0 50 CDAA CN(C)N1C(=O)C[C@H](Nc2ccc(Cl)cc2)C1=O 100328296 MQKAYMHAEFNTBB-JTQLQIEISA-N 267.716 1.356 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1cc(N)cn1 116888824 AXMLZBMKFHWLOF-LLVKDONJSA-N 266.345 1.865 0 50 CDAA CCN(C(=O)CN1CCCO[C@H](CN)C1)C1CCCCC1 313357866 UKKAWZHRTUFFGB-OAHLLOKOSA-N 297.443 1.217 0 50 CDAA CCOCCN1CCN([C@@H](C)C(=O)N2CCCC2)C[C@H]1C 248266863 FKBBFNQMXQHPFU-CABCVRRESA-N 297.443 1.040 0 50 CDAA C[C@@H]1CCCN(CCc2nc(-c3cn(C)cn3)no2)C1 20450087 FZFHZMJBKRYTIN-LLVKDONJSA-N 275.356 1.745 0 50 CDAA COCCOc1cccc(C(=O)N2C[C@H](O)CC[C@@H]2C)c1 421999107 BCDBIVQPXILQCE-GXTWGEPZSA-N 293.363 1.697 0 50 CDAA CON1CCC(NC(=O)c2cc(C)sn2)CC1 422040990 JJNSKBZBKIBOQG-UHFFFAOYSA-N 255.343 1.207 0 50 CDAA Cc1cc(C)c(N(CC(=O)O)S(C)(=O)=O)c(C)c1 20130763 KMOYUNNXFLPBOR-UHFFFAOYSA-N 271.338 1.462 0 50 CDAA O=C(NCCC1=CCCCCC1)N1C[C@@H](O)[C@H](CO)C1 331611931 KEGYFLHHOCSILP-UONOGXRCSA-N 282.384 1.262 0 50 CDAA CCCCOCC(=O)N1Cc2cnc(CC)nc2C1 67447234 YWFOLPRTLAFSEV-UHFFFAOYSA-N 263.341 1.698 0 50 CDAA COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc(OC)c1OC 277852 LZYQCYSHBONTGC-PELKAZGASA-N 299.348 1.501 0 50 CDAA biogenic O=S(=O)(C[C@@H]1CCOC1)NC(C1CCC1)C1CCC1 329060056 JHCNFOGTZCDWOH-LLVKDONJSA-N 287.425 1.911 0 50 CDAA O=C([C@@H]1CCCO1)N1CCCN(Cc2ccncc2)CC1 77440014 ODPUNVBOVSYZIS-HNNXBMFYSA-N 289.379 1.295 0 50 CDAA CN(Cc1ccc2c(c1)OCO2)CC1(C(=O)O)CC1 258851069 FYEAMOHLYZWOFS-UHFFFAOYSA-N 263.293 1.712 0 50 CDAA Cc1noc([C@H](C)NC(=O)c2ccncc2Cl)n1 73057803 UIEWWZQJRDEZBC-LURJTMIESA-N 266.688 1.917 0 50 CDAA N[C@@H](Cc1ccc(O)c(OCc2ccccc2)c1)C(=O)O 258481266 IFCCTMVCVUTMAD-ZDUSSCGKSA-N 287.315 1.926 0 50 CDAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1ncccc1O 72476837 DQTHHYXWYUDILH-NSHDSACASA-N 292.335 1.735 0 50 CDAA O=C(N[C@@H](CO)CC1CCCC1)[C@@H]1CCCN1C1CC1 332743100 ZFZPIPJGUAIODU-HIFRSBDPSA-N 280.412 1.671 0 50 CDAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cnn2c1CCCC2 72120930 AMQFALBGDRNSAO-JKSUJKDBSA-N 297.358 1.608 0 50 CDAA COc1cccc(OCC(=O)N2CCC[C@@H](C)[C@H]2CN)c1 156652938 YJQGTAUFYPLGMH-IUODEOHRSA-N 292.379 1.660 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)O)C1 237456288 BKAPRZNBNMIOLF-KCJUWKMLSA-N 296.323 1.097 0 50 CDAA C[C@H](N)[C@@H]1CCCCN1C(=O)/C=C/c1ccccn1 237437010 QZGWRFQKVMBVSQ-DENSBJQYSA-N 259.353 1.823 0 50 CDAA C[C@@H]1CN(C(=O)[C@]2(C)CCNC2)C[C@@H](c2ccccc2)O1 237626279 LYLCUMRMYSECSF-UKPHBRMFSA-N 288.391 1.975 0 50 CDAA CO[C@H]1CCN(C(=O)NC[C@H]2CCOC3(CCC3)C2)C1 334106645 YMLOCBILVUUGKM-STQMWFEESA-N 282.384 1.766 0 50 CDAA CC1(O)CC(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C1 336187960 ZJENXAFBYAKXAV-OPASDULOSA-N 255.358 1.610 0 50 CDAA c1cn([C@H]2CCSC2)c(-c2cc3n(n2)CCNC3)n1 72476528 OYRHLVIOQDGJPD-JTQLQIEISA-N 275.381 1.528 0 50 CDAA Cc1noc([C@H]2CN(c3ncc(C)c(C)n3)CCN2C)n1 284668828 WJBDIJREPGNROO-GFCCVEGCSA-N 288.355 1.278 0 50 CDAA Cc1cncc(C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)c1 336547754 LUVRAXCEUVNGNN-CYBMUJFWSA-N 289.379 1.719 0 50 CDAA COc1cc(Cl)cc(C(=O)N2CCOC[C@H](CO)C2)c1 77341376 LKFRIMPDHRGCOJ-JTQLQIEISA-N 299.754 1.430 0 50 CDAA CCN1CCN(C(=O)c2csc(NC(C)=O)n2)[C@@H](C)C1 288192206 BMFZDXUDVKVCGB-VIFPVBQESA-N 296.396 1.268 0 50 CDAA CSc1ccccc1C(=O)NCCN1CCCOC1=O 222715049 OJRWXEMCMDHFOK-UHFFFAOYSA-N 294.376 1.981 0 50 CDAA C[C@@H]1CN(C)C[C@H](c2nc(-c3cnc4ccccn34)no2)O1 527544334 AOVBRKZDKAKKJQ-ZYHUDNBSSA-N 299.334 1.776 0 50 CDAA CC1(C)C[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 131711056 HHEWRXDQVCECAS-LLVKDONJSA-N 260.341 1.171 0 50 CDAA Cn1nccc1CCC(=O)N1CCCC[C@]1(C)C(=O)O 426383847 NNKQNJWNDUVCQN-CQSZACIVSA-N 279.340 1.209 0 50 CDAA N=c1nc(N2CCCCCC2)cc([C@@H]2CCOC2)[nH]1 426387347 WPDNANFOWLVJIY-LLVKDONJSA-N 262.357 1.773 0 50 CDAA O=C(CCc1cn[nH]c1)NC1CCN(C2CCCC2)CC1 426621887 ZFENKIRVAVUDIL-UHFFFAOYSA-N 290.411 1.866 0 50 CDAA COCc1cccc(CC(=O)N2CCC[C@H]2C(=O)O)c1 263527435 KQCOABMKYKMAOI-ZDUSSCGKSA-N 277.320 1.451 0 50 CDAA Cc1nc(N)ncc1C(=O)NCCCC[C@@H]1CCCO1 221291299 OBKBSUWXESFHRD-LLVKDONJSA-N 278.356 1.446 0 50 CDAA CCOC[C@H]1CN([C@@H](C(=O)O)c2ccc(F)cc2)CCO1 530172673 MZEIXWVRKXNOTK-ZIAGYGMSSA-N 297.326 1.689 0 50 CDAA CO[C@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C1 223405653 SCTBLRVQEDVDNW-NSHDSACASA-N 273.336 1.743 0 50 CDAA O=C(c1cn2cccnc2n1)N1CCC(c2ncon2)CC1 426486146 MHKYAUKAFDXJBW-UHFFFAOYSA-N 298.306 1.132 0 50 CDAA Cc1cccc(=O)n1CCc1nc(-c2cccnn2)no1 95521130 DLZBYKLRDLOTBF-UHFFFAOYSA-N 283.291 1.239 0 50 CDAA CSCC(=O)N1CCC[C@@](CO)(CC2CC2)C1 91551800 XSKFCOZSEGCZCM-CYBMUJFWSA-N 257.399 1.751 0 50 CDAA Cc1noc(C)c1[C@H](C(=O)O)N1CCSCC1 95379496 HIFAZZZSYVVTDM-SNVBAGLBSA-N 256.327 1.466 0 50 CDAA COCC[C@]1(CO)CCCN(Cc2cc(OC)ccn2)C1 91644326 RRDVEKKGZYCPNO-MRXNPFEDSA-N 294.395 1.701 0 50 CDAA CCN(C)[C@H](C(=O)O)c1ccc(OC)nc1OC 95357138 PGRTZWZRNRGBLW-JTQLQIEISA-N 254.286 1.176 0 50 CDAA CC(C)[C@]1(O)CN(C(=O)CCC2CCN(C)CC2)C[C@H]1C 91381164 WYKXRYDWAJYICE-RHSMWYFYSA-N 296.455 1.974 0 50 CDAA Cc1nn(C)cc1NC(=O)NCC[C@@H]1CCCN1C 96131946 NVCXRCGHFQXPKV-NSHDSACASA-N 265.361 1.334 0 50 CDAA Fc1ccc([C@@H]2CNCCN2)c(Br)c1 96305487 NMHXUWAUDUUCBM-JTQLQIEISA-N 259.122 1.822 0 50 CDAA Cn1cnc2cc(-c3nc([C@H]4CCOC4)no3)ccc2c1=O 96149245 FGPHITRLGSAHEB-JTQLQIEISA-N 298.302 1.487 0 50 CDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)N1CCSCC1 336631906 IUHLFZHCUPZOOL-UHFFFAOYSA-N 295.290 1.082 0 50 CDAA Cc1noc([C@H]2CN(c3nnc(C)c(C)n3)C[C@@H](C)O2)n1 624583268 OGQKSPABGYMYIH-RDDDGLTNSA-N 290.327 1.146 0 50 CDAA Cc1ccc(C)n1CCCC(=O)NCCc1c[nH]cn1 253413004 SSPVQIMGEFZXFD-UHFFFAOYSA-N 274.368 1.967 0 50 CDAA biogenic C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1COCCO1 252203317 WRRHXFIJXBCDIG-XQHKEYJVSA-N 253.342 1.581 0 50 CDAA CCC[C@@H](NC(=O)CCn1ccnc1)c1nccn1C 534650550 OKSKZBWHPDWONY-GFCCVEGCSA-N 275.356 1.664 0 50 CDAA CCC[C@H](NC(=O)CN1CCCCC1=O)c1nccn1C 534654511 TXGHCWWEZUXOHL-LBPRGKRZSA-N 292.383 1.390 0 50 CDAA CC[C@@H]1CCCN1Cc1cnc(NCC(=O)O)nc1 534656633 IERPCCLGTSKSIW-LLVKDONJSA-N 264.329 1.348 0 50 CDAA COCC1(CNS(=O)(=O)CC(C)C)CCCC1 452040366 AHNPGYWGHICXFH-UHFFFAOYSA-N 263.403 1.769 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(O)cn2)CC1 299776002 MZFRRAHHSQENOF-XYPYZODXSA-N 291.351 1.069 0 50 CDAA CCCn1cc(NC(=O)N[C@@H](CC)COC)nn1 299758347 LWALQNKCJSIOCO-VIFPVBQESA-N 255.322 1.235 0 50 CDAA CC(C)c1cc(CN(C)C(=O)c2ccc(=O)n(C)n2)on1 299759941 PPEFJUSNPBUMAA-UHFFFAOYSA-N 290.323 1.164 0 50 CDAA CN(C)S(=O)(=O)NCCCCN1CCCCCC1 823725434 VVWDTPCCSVGGIU-UHFFFAOYSA-N 277.434 1.039 0 50 CDAA C[C@H](CN1CCCC1)C(=O)N(C)CCn1ccnc1 827627206 QOQWQWVMIPUCMR-CYBMUJFWSA-N 264.373 1.073 0 50 CDAA Cc1nc2cc(CNC(=O)[C@@H]3CCOC3)ccc2n1C 670440151 QHMJGHILEXIFDN-GFCCVEGCSA-N 273.336 1.534 0 50 CDAA Cc1cccc(N2CCC(NC(=O)[C@@H]3CCN3)CC2)c1 670451866 VKVSUTUJZKDCMD-HNNXBMFYSA-N 273.380 1.442 0 50 CDAA CC(=O)NC(C)(C)C[C@@H](C)NCc1csc(N)n1 670448977 WYLGHDAYUCNQKX-MRVPVSSYSA-N 270.402 1.508 0 50 CDAA c1ccc(N2CC[C@@H](NCCc3cn[nH]c3)C2)cc1 685627568 QJFBXYBQKLUCQA-CQSZACIVSA-N 256.353 1.821 0 50 CDAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)c3ccoc3)CC2)O1 952889218 ZLESQTFTJOWRIP-QWHCGFSZSA-N 292.335 1.165 0 50 CDAA CO[C@H](CS(=O)(=O)Nc1c[nH]c2nccc-2c1)C(C)C 952992893 DLSFBGRGCQDMKG-GFCCVEGCSA-N 297.380 1.927 0 50 CDAA CCn1cncc1CN(C)C(=O)c1ccc(C(=O)O)cc1 1875278933 YNVKONAMHRFMLB-UHFFFAOYSA-N 287.319 1.873 0 50 CDAA O=C(c1nc(C2CC2)no1)N1CC[C@H](c2cc[nH]n2)C1 1875282767 RPJNHODDQFLOSD-VIFPVBQESA-N 273.296 1.300 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1ccnn1C1CC1 1875271156 DWFQSOKWTLNEJP-YTWAJWBKSA-N 275.308 1.057 0 50 CDAA C=CC(=O)N1CCC(C(=O)N(CC)C[C@H](C)OC)CC1 1875365503 KDIZTPOBHCOOGL-LBPRGKRZSA-N 282.384 1.294 0 50 CDAA O=C(c1occ2c1CCC2)N(C1CC1)[C@@H]1COC[C@H]1O 1875396656 QFNSGDHVIHNIPR-CHWSQXEVSA-N 277.320 1.133 0 50 CDAA CCCc1nc(C)c(C(=O)N2CCOC[C@@H]2C(=O)O)s1 269000331 YKZNLSFCARVYHS-SECBINFHSA-N 298.364 1.330 0 50 CDAA Cn1nncc1NC(=O)c1nnc(C(C)(C)C)s1 1304099648 CFQHGCKNTTWYEU-UHFFFAOYSA-N 266.330 1.216 0 50 CDAA CN(Cc1nccn1C)C[C@H]1CCO[C@@H]1c1cnn(C)c1 886082320 XPRWTAVGSAEYAV-DOMZBBRYSA-N 289.383 1.363 0 50 CDAA C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC(=O)N1 412381647 UMRVWYASGWLHJE-KFNAQCHYSA-N 272.348 1.527 0 50 CDAA CCOCCC(=O)N1CC[C@](O)(C2CC2)[C@@H](C)C1 1565509095 COLRIOJGFQWLJB-SMDDNHRTSA-N 255.358 1.423 0 50 CDAA CN(C[C@@H]1CCCC[C@H]1O)c1ccc2nncn2n1 408454333 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281.381 1.993 0 50 CDAA Cc1occc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 473489 VJTQKGZGKJIMSQ-UHFFFAOYSA-N 280.305 1.488 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCCC(F)(F)C1 860225553 PKQRFBMHQUSVNS-SECBINFHSA-N 260.284 1.325 0 50 CDAA O=C(Nc1cccc(Cl)c1)NN1CCOCC1 2379769 LRPVEXVIQGQFJC-UHFFFAOYSA-N 255.705 1.709 0 50 CDAA O=C(Cc1ccc(F)cc1)N1CCC[C@]12CCCNC2=O 2356148673 MCXSGBCCAZPCRK-INIZCTEOSA-N 290.338 1.639 0 50 CDAA CCN(CC)C(=O)C(=O)Nc1cc(C)ccc1OC 2840931 HHKDUJZKACICMS-UHFFFAOYSA-N 264.325 1.811 0 50 CDAA COc1cc(OC)c(C(=O)NCCCN(C)C)cc1OC 2845692 REVHDKOYKQFJSZ-UHFFFAOYSA-N 296.367 1.394 0 50 CDAA CCOC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C 2874991 OEGVJSJFRIZYAQ-UHFFFAOYSA-N 285.365 1.453 0 50 CDAA CN(C)c1ccc2c3c(cccc13)C(=O)N(CCO)C2=O 4255815 YGMFKQIBKBAMSJ-UHFFFAOYSA-N 284.315 1.494 0 50 CDAA CCOc1ccc(Cl)cc1S(=O)(=O)NCCOC 4857250 AYWMCXZFWBPUAR-UHFFFAOYSA-N 293.772 1.663 0 50 CDAA CCN1CCN(c2nc(N)c3ccccc3n2)CC1 6690936 BDWIHIURZZWHEJ-UHFFFAOYSA-N 257.341 1.354 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1ccccc1N(C)C 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COCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccccc1 22129923 LWLDIFNJOLYNQS-AAEUAGOBSA-N 263.293 1.307 0 50 CDAA CCS[C@@H]1CC[C@@H](NC(=O)N[C@@H](CC)CO)C1 229844339 NXTMSSJVBYYIDF-HBNTYKKESA-N 260.403 1.731 0 50 CDAA Cc1cccc(Cn2c([C@@H]3CCCN(C)C3)n[nH]c2=O)c1 65397921 AAGKDWWBRNPFAD-CQSZACIVSA-N 286.379 1.737 0 50 CDAA CC1(C)NC(=O)N(CCN2CCC[C@H]3CCCC[C@H]32)C1=O 230193461 PGLSPTYIULVXPI-CHWSQXEVSA-N 293.411 1.971 0 50 CDAA CCOc1ccccc1/C=C/C(=O)N(C)[C@H]1CCNC1 328596447 QKYXPHQRTZHGHE-VFNNOXKTSA-N 274.364 1.919 0 50 CDAA Cc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1 36364894 NBTFBJSVZGCAJM-UHFFFAOYSA-N 293.356 1.131 0 50 CDAA Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 36173484 GSAOCEDHQIUXEH-UHFFFAOYSA-N 288.800 1.585 0 50 CDAA Cc1ncc(C(=O)N(C)C[C@@H]2CCc3nccn3C2)c(C)n1 328630068 PMAYBKHIVWGPOG-ZDUSSCGKSA-N 299.378 1.625 0 50 CDAA O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1cccs1 328627996 NGZLVEJUTKACGC-SNVBAGLBSA-N 297.405 1.486 0 50 CDAA Cc1ncsc1CCN(C)C(=O)[C@@H]1CCCO1 216443856 MWMSCUGLJRAWNO-JTQLQIEISA-N 254.355 1.631 0 50 CDAA O=S1(=O)CCC[C@@H](CN2CC(c3cccnc3)C2)C1 71738446 GVTOPUFGHARZGY-LBPRGKRZSA-N 280.393 1.306 0 50 CDAA Cc1noc(-c2ccc(N(C)Cc3cnn(C)c3)nc2)n1 39353850 WLSGJCLHZWDVHV-UHFFFAOYSA-N 284.323 1.810 0 50 CDAA CCOC(=O)[C@@H](NCc1c(C)nn(C)c1Cl)C1CC1 253427288 DWLOKIZVZCYOQS-NSHDSACASA-N 285.775 1.813 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@H]2CCN(C)C)on1 72421088 YSVYFQKRLQQSBF-LBPRGKRZSA-N 265.357 1.929 0 50 CDAA CC[C@@H](O)CN1CCOC[C@H]1CC(=O)c1ccccc1 152732247 WVFBEFSOJDDFJT-HUUCEWRRSA-N 277.364 1.731 0 50 CDAA CC(=O)N1CCC[C@H](Cn2cnc3sccc3c2=O)C1 32534798 SKJNPDICIYCBHT-NSHDSACASA-N 291.376 1.717 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CNC(=O)C2)C1 258147919 ZTPXDUOFSULYBY-UWVGGRQHSA-N 254.330 1.380 0 50 CDAA CCOC(=O)[C@@H](C)[C@]1(C(=O)OCC)CCCCC1=O 71772536 QPGWAKMBKYTKJV-QMTHXVAHSA-N 270.325 1.878 0 50 CDAA O=C(O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1 364705601 MPFBWDLJRGYOBY-MRVPVSSYSA-N 268.700 1.120 0 50 CDAA Nc1cnc(N2CCOCC2)c(Br)c1 36250599 LHELECNPYPJWHD-UHFFFAOYSA-N 258.119 1.263 0 50 CDAA CC(C)c1nnc(C(=O)N[C@H](C)c2ncon2)s1 283524204 SPZSUOBMEXJGHH-ZCFIWIBFSA-N 267.314 1.536 0 50 CDAA COCCN1CCC[C@@H]1CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 242284651 YIOJOBYLYDHOJH-KLHDSHLOSA-N 296.455 1.890 0 50 CDAA O=C(Cc1cccc(F)c1)N[C@H](C(=O)O)[C@@H]1CCCOC1 262813432 OZGBGPDQAYGHOV-RISCZKNCSA-N 295.310 1.364 0 50 CDAA Cn1cc(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cn1 333585475 UOEWBTCQZATJRV-XUXIUFHCSA-N 285.347 1.160 0 50 CDAA COc1csc(C(=O)N[C@@H](C(=O)O)[C@H]2CCCOC2)c1 262803053 OCKBQKDZMFEUGY-GZMMTYOYSA-N 299.348 1.366 0 50 CDAA CCOC1CN(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)C1 334064916 CRAOIAVBOIOASG-KOLCDFICSA-N 264.329 1.319 0 50 CDAA Nc1c(N2CC[C@H](c3ccco3)C2)ncnc1-n1cccn1 372180625 OGJAYTPIWIUSKJ-NSHDSACASA-N 296.334 1.831 0 50 CDAA Cc1nn(CC(=O)NCCN2CCCC2)c(C)c1C 216139795 VSDWFJSIERXNOE-UHFFFAOYSA-N 264.373 1.020 0 50 CDAA CSc1ccc2c(c1)CCN(C(=O)[C@@H]1CCNC1)C2 216433317 FXXKEMIOGMCKSN-GFCCVEGCSA-N 276.405 1.903 0 50 CDAA Cc1cc[nH]c1C(=O)NC[C@@H]1CCCN(c2ncccn2)C1 373901748 CTLCOPIBXUSJFD-ZDUSSCGKSA-N 299.378 1.760 0 50 CDAA CC(C)c1nnc2sc(-c3ccc4nnnn4c3)nn12 32094490 PLCKQYUIQUXFBF-UHFFFAOYSA-N 286.324 1.414 0 50 CDAA CSCC[C@@H](O)C(=O)NCc1ccc2nc(C)[nH]c2c1 215926290 XNFLVMSEAPJSTJ-CYBMUJFWSA-N 293.392 1.602 0 50 CDAA COc1ccnc(N2CC[C@H](O)c3ccccc3C2)n1 375892744 VTZMTKQVGDOFDR-ZDUSSCGKSA-N 271.320 1.929 0 50 CDAA Cc1ncccc1C(=O)NCc1ccccc1-n1cncn1 219155642 LZYVQYJLEANUKJ-UHFFFAOYSA-N 293.330 1.901 0 50 CDAA Cc1cncc(C(=O)NS(=O)(=O)C[C@H]2CCCCO2)c1 132171007 GYGYVCLLAWOBCX-GFCCVEGCSA-N 298.364 1.019 0 50 CDAA O=C1[C@H](N2CC(O)(C3CC3)C2)CCN1c1ccccc1 335881762 XQADGGTWBMCTML-CQSZACIVSA-N 272.348 1.249 0 50 CDAA CC(C)c1[nH]ccc1C(=O)N1CCC[C@](O)(C(=N)O)C1 336603732 XKALVVKVYDPMOJ-CQSZACIVSA-N 279.340 1.640 0 50 CDAA Cc1cnc(C)c(N2CCN(C[C@H]3CCOC3)CC2)n1 184131815 NRXSYXHUYPRMRE-CQSZACIVSA-N 276.384 1.252 0 50 CDAA COc1cc(OC)nc(N[C@H]2COc3ccccc3C2)n1 328101158 HHDSKMMXOHOLHP-LLVKDONJSA-N 287.319 1.909 0 50 CDAA COC(=O)[C@@H]1OC(C)(C)O[C@@H]1COCc1ccccc1 43199038 SRUZFNIJYDKSFU-CHWSQXEVSA-N 280.320 1.896 0 50 CDAA Cn1ncc(CNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)n1 529385365 KYLKPUDYHLFLPT-KBPBESRZSA-N 288.326 1.764 0 50 CDAA CC[C@H](NC(=O)c1cc(C(F)F)[nH]n1)c1ncnn1CC 426514637 JPVKNHBVTCGTCG-ZETCQYMHSA-N 298.297 1.840 0 50 CDAA CN[C@@H](C)C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 220288092 RTFKNTMBDIEQAW-NSHDSACASA-N 272.352 1.643 0 50 CDAA CCCC[C@H](CC(=O)O)NC(=O)c1ccc(O)cn1 220630781 KBCBPHMTWDYZLL-SECBINFHSA-N 266.297 1.551 0 50 CDAA O=C(c1ccc[nH]1)N1CC[C@@](CO)(c2ccccc2)C1 291346426 WZPDMXQJCPABEG-MRXNPFEDSA-N 270.332 1.791 0 50 CDAA CCNc1nc(N2CCC(C(N)=O)CC2)nc2ccccc12 41147511 FJPUXGRXMLTEJB-UHFFFAOYSA-N 299.378 1.763 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)o1 426661178 FDFNVURLPCGDRM-NSHDSACASA-N 287.319 1.691 0 50 CDAA COc1cc(OC)c(C(=O)NCC2(C)COC2)cc1OC 83520264 KBJQPFZGSUMJAS-UHFFFAOYSA-N 295.335 1.479 0 50 CDAA CCOC(=O)[C@@H](CC)n1cnc(Br)n1 238833230 AFUGJFFTEYXSSC-ZCFIWIBFSA-N 262.107 1.555 0 50 CDAA Cc1nc(CCCOCc2ccccc2)n(CC(=O)O)n1 96132329 DVAHIYONLBUSMQ-UHFFFAOYSA-N 289.335 1.821 0 50 CDAA COc1ncc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)cn1 426552245 DOJULJRPIRRDHE-LLVKDONJSA-N 279.340 1.108 0 50 CDAA Cc1nc(NC2CCOCC2)cc([C@@H]2CCOC2)n1 426514594 DXOMGKKQFHSBBQ-LLVKDONJSA-N 263.341 1.880 0 50 CDAA CCn1cc(NC(=O)NCc2nc(CSC)no2)cn1 97475569 OZCJCQSYMNKZOS-UHFFFAOYSA-N 296.356 1.471 0 50 CDAA O=C(Nc1ccc(F)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 239402727 RCMPDKQHHLGASK-WDAHDJQVSA-N 275.279 1.962 0 50 CDAA COCC(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95385214 MLLOKDMWMCEFQG-CYBMUJFWSA-N 277.320 1.737 0 50 CDAA CCn1nnc(C)c1C(=O)NCc1ccc(OC)cc1 294445527 SNDBKQLVCWAHJT-UHFFFAOYSA-N 274.324 1.545 0 50 CDAA C=CC(=O)NCCNC(=O)[C@H]1CCCCC1(F)F 294663972 QQLKXLZPOZEKDM-SECBINFHSA-N 260.284 1.230 0 50 CDAA CC[C@@H](C(=O)NC(C)(C)C)n1c(C)c(C)oc1=O 95369851 OIVVHQIMEODOGR-JTQLQIEISA-N 254.330 1.924 0 50 CDAA CN(CCc1nc2cc(Cl)ccc2[nH]1)C[C@@H](O)CO 97759449 KDBAIJZUJHGMOP-SNVBAGLBSA-N 283.759 1.044 0 50 CDAA Cc1nn(CC(=O)N2C[C@@H](C)[C@](O)(C3CC3)C2)cc1Cl 91745731 NCJFHNWSDMHUPG-OTYXRUKQSA-N 297.786 1.464 0 50 CDAA CCc1ncc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 95353383 PZKLKQCWGSGQCE-UHFFFAOYSA-N 299.378 1.788 0 50 CDAA C[C@@H](C(=O)N1CCc2[nH]c3ccccc3c2C1)n1cnnn1 524732562 PFZFVLWDHKSPRA-JTQLQIEISA-N 296.334 1.300 0 50 CDAA Cc1[nH]c2c(C(=O)N3CCOC[C@H](O)C3)cccc2c1C 96153905 XQFOHAROVYKCTH-GFCCVEGCSA-N 288.347 1.618 0 50 CDAA COCC(C)(C)CNC(=O)c1c(C)ncnc1C 534631078 YIFRPOKCYHYACW-UHFFFAOYSA-N 251.330 1.496 0 50 CDAA CCc1ncc(S(=O)(=O)NC[C@H](C)n2cc(C)cn2)[nH]1 534662601 BEDOWBSFKOFIFK-JTQLQIEISA-N 297.384 1.017 0 50 CDAA Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c(C)n1C 299780191 AKZHHCXYJCAGEQ-GJZGRUSLSA-N 291.395 1.235 0 50 CDAA CN1CCCN(CCC(F)(F)F)CC12CCNCC2 823778358 KZBHATQLXDXRGY-UHFFFAOYSA-N 279.350 1.699 0 50 CDAA CCCc1nc(N[C@H]2COC[C@@H]2N2CCCC2)no1 823023313 DXCMOGLYPOHHDP-QWRGUYRKSA-N 266.345 1.297 0 50 CDAA CC(C)(C)NC(=O)[C@@H]1CCCC[C@@H]1c1nc[nH]n1 670460703 ZXLGONPBSBSQLO-VHSXEESVSA-N 250.346 1.993 0 50 CDAA CN(C(=O)C1CCOCC1)c1ccc(OCC(=O)O)cc1 630188975 ZLSVVKCUXNUXGB-UHFFFAOYSA-N 293.319 1.539 0 50 CDAA Cc1cc(S(=O)(=O)N[C@@H]2CN(C)C[C@H]2C)ccc1F 685939526 XKNJIQIIMXAVOD-ZWNOBZJWSA-N 286.372 1.363 0 50 CDAA C[C@H]1CNCC[C@@H]1c1ccc(NS(C)(=O)=O)cc1 757207497 BJGHMSCCGWMMEG-GWCFXTLKSA-N 268.382 1.771 0 50 CDAA CN1CC2(C1)CN(c1ncnc3cccc(F)c13)C2 1158866470 RQFXGNLKDDXDBQ-UHFFFAOYSA-N 258.300 1.521 0 50 CDAA O=C(Cc1c[nH]c2cccnc12)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12 1875300531 GZHPBFZMNJPLGJ-XZUYRWCXSA-N 299.330 1.331 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2COCC[C@@H]2C)CC1 1875367504 IVEXLZGYHOUPRN-NSHDSACASA-N 266.341 1.006 0 50 CDAA CC(C)[C@H]1C[C@H](CNC(=O)/C=C/CN(C)C)CCO1 1875375908 UPXACOYQIZEVBI-QAMKJQMISA-N 268.401 1.672 0 50 CDAA CSc1ncc(-c2cccc(C(N)=O)c2)c(=N)[nH]1 1875337188 PWJSEZFNVJAEOV-UHFFFAOYSA-N 260.322 1.377 0 50 CDAA Cc1cnc([C@@H](C)N2CCN3C[C@@H](F)C[C@H]3C2)o1 952991724 DLMCTFIKABEELD-WOPDTQHZSA-N 253.321 1.772 0 50 CDAA Cc1ccc([S@](C)(=O)=NC(=O)Cc2nonc2C)cc1 952995030 ATFLPLZWNDMMRE-FQEVSTJZSA-N 293.348 1.912 0 50 CDAA CC[C@@H](C(=O)N1CCC2(CCC(=O)N2C)CC1)N(C)CC 952967659 KRKNXCIKFSVXOS-ZDUSSCGKSA-N 295.427 1.330 0 50 CDAA CC[C@H]1C=CCN1C(=O)c1ccc(S(C)(=O)=O)cc1 952967559 ZQBXLWKVIVFSJV-LBPRGKRZSA-N 279.361 1.881 0 50 CDAA CCOC(=O)[C@@H]1C(O)=COCCN1C(=O)OC(C)(C)C 888084649 RMURAISQVNURBM-JTQLQIEISA-N 287.312 1.585 0 50 CDAA in-vitro Cc1nc[nH]c1C(=O)N1CCc2ccc(O)cc2CC1 896090908 XAJQJMUVLJHXFF-UHFFFAOYSA-N 271.320 1.665 0 50 CDAA O=C(NCc1nc2c([nH]1)CCCC2)[C@H]1CSCCS1 1472064790 ZFWYTVPQMZLZJJ-LLVKDONJSA-N 297.449 1.753 0 50 CDAA CN(C[C@@H]1CCCO1)C(=O)c1ccn([C@@H]2CCCNC2)n1 275519156 DUXHXLJSTQEAKQ-OLZOCXBDSA-N 292.383 1.059 0 50 CDAA CC(C)(C)OC(=O)N1CCN(C2(C(=O)O)CC2)CC1 168747704 CYMBEDXPPUIRKI-UHFFFAOYSA-N 270.329 1.156 0 50 CDAA Cc1cncn1C1CCN(C(=O)c2cc(C)n(C)n2)CC1 408320564 OWGFBSXXKLMJIJ-UHFFFAOYSA-N 287.367 1.711 0 50 CDAA COC[C@H]1CN(c2nncc3ccccc23)CCO1 408516829 NJOKJSXXKWPNRS-GFCCVEGCSA-N 259.309 1.481 0 50 CDAA CC(C)C[C@H](CN)CC(=O)OCCc1cncn1C 408525730 XVUYXDPUQGSLIN-LBPRGKRZSA-N 267.373 1.517 0 50 CDAA CCO[C@H](C)C(=O)Nc1ccc(O)c(C(=O)O)c1 633138325 KFSCPGBADUSARA-SSDOTTSWSA-N 253.254 1.454 0 50 CDAA C[S@@](=O)c1cccc(NC(=O)N[C@H](CO)C(C)(C)C)c1 170072962 KNUIIEQOUGOMOB-MPBGBICISA-N 298.408 1.953 0 50 CDAA C[C@@H]1OCC[C@H]1[S@@](=O)CC(=O)NC1CCCCC1 170689393 LBPCBZSULHGSLN-NMOXLHADSA-N 273.398 1.361 0 50 CDAA Cc1nn(C)c(C)c1CC(=O)OCCCN1CCCC1 170616672 KGDLKYYRCKWXKQ-UHFFFAOYSA-N 279.384 1.609 0 50 CDAA O=C(C1CCC=CCC1)N1CCC(O)(C(=O)O)CC1 634803720 HWKZSZVYGJDVGZ-UHFFFAOYSA-N 267.325 1.171 0 50 CDAA COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc(F)c(C)c1 188781477 QRESKCTYKULCBG-UONOGXRCSA-N 281.327 1.632 0 50 CDAA CC(C)c1nccc(N2CCC[C@@](O)(c3cnn[nH]3)C2)n1 583616910 YZVHBKDLUYMMIG-AWEZNQCLSA-N 288.355 1.206 0 50 CDAA CC(C)c1nn(C)c(Cl)c1CN1CCO[C@H]2CNC[C@H]21 583615661 ZAKVUWWDBUOJEK-NEPJUHHUSA-N 298.818 1.370 0 50 CDAA O=C(CN1C[C@H]2C[C@]2(O)C1)Nc1ccc2c(c1)CCC2 640475622 FAURFVVAYFJFLT-CJNGLKHVSA-N 272.348 1.180 0 50 CDAA CCCC[C@@H](NC1CCN([C@H]2CCOC2)CC1)C(=O)OC 585091311 CGCCLUWTGJLQQF-LSDHHAIUSA-N 298.427 1.561 0 50 CDAA O=C1COC(=O)N1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 585133073 QUKUEGMNSYNKBL-QWRGUYRKSA-N 280.324 1.146 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cnsc1 585127294 WKLQYMNEGYWXMF-WPRPVWTQSA-N 256.327 1.666 0 50 CDAA CC(C)[C@H](O)C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 563409009 NGJIRMJVHFSMLI-LBPRGKRZSA-N 292.314 1.490 0 50 CDAA CCC(CC)N1C[C@H](C(=O)Nc2nccc(C)n2)CC1=O 194656173 YXMMTHBIHHIKJB-LLVKDONJSA-N 290.367 1.761 0 50 CDAA Cc1c(C(=O)N[C@H]2CCc3[nH]ncc3C2)ccn1C 195262275 PSYIMRYOBFZACX-NSHDSACASA-N 258.325 1.344 0 50 CDAA CC(C)(C(=O)O)n1ccc(NC(=O)C[C@@H]2CCOC2)n1 659204117 MWPAIJWYGWFWIW-VIFPVBQESA-N 281.312 1.068 0 50 CDAA O=C(O)c1ccccc1CN1CCc2nccnc2C1 659803415 HEXBWVZUTLDZCB-UHFFFAOYSA-N 269.304 1.733 0 50 CDAA Cn1ncc2c(N[C@H]3CCc4ccccc4C3)[nH]c(=N)nc21 572422612 DGYRYCPJMMCYCD-LBPRGKRZSA-N 294.362 1.745 0 50 CDAA C=CC(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 791387719 LLTRQCZAXWHDBQ-SNVBAGLBSA-N 266.247 1.372 0 50 CDAA CO[C@@H](C)c1nnc(NC(=O)CCc2ccnn2C)s1 1506430142 XQWBQXXBFGDVAB-QMMMGPOBSA-N 295.368 1.550 0 50 CDAA Cc1nc(N2CC[C@@H](O)C2)ccc1Br 223775249 HNPQRZHQNHCEEX-MRVPVSSYSA-N 257.131 1.724 0 50 CDAA O=C1NC(=O)/C(=C\c2cccn2-c2ccccc2F)N1 361473 CXZHHVZQYJEAFU-DHZHZOJOSA-N 271.251 1.797 0 50 CDAA CC(=O)N(C(C)=O)c1nc(Cl)ncc1Br 230572096 GOAJOGQYUAOSPU-UHFFFAOYSA-N 292.520 1.792 0 50 CDAA in-vitro Cc1c(C(=O)N(C)CC2(O)CCC2)sc2nccn12 329566101 KRLCSISLCWQPHL-UHFFFAOYSA-N 279.365 1.691 0 50 CDAA COc1cccc([S@@](=O)Cc2nnc(C)n2C)c1 123402488 ZQFUFYJOWZAKAG-GOSISDBHSA-N 265.338 1.440 0 50 CDAA Cc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)o1 252670289 KCDZAEOZUCHGSA-ZWNOBZJWSA-N 286.397 1.348 0 50 CDAA CC(C)Cn1ccc2c(C(=O)N3CC(C(N)=O)C3)cccc21 1616042420 YKPPNCCWFPIZSN-UHFFFAOYSA-N 299.374 1.855 0 50 CDAA O=C(NCc1ccc2sccc2c1)[C@H]1CNCCO1 215574234 PAPWLARQPZEUJL-GFCCVEGCSA-N 276.361 1.506 0 50 CDAA O=C(c1onc2ncccc12)N1CC[C@H](O)C[C@@H]1C1CC1 1772711729 FAVMWPISAMSPRX-CMPLNLGQSA-N 287.319 1.598 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@H]2CN1Cc1cc(C(C)(C)C)n[nH]1 1772703346 WTXWKBNIGNGABH-YPMHNXCESA-N 290.411 1.902 0 50 CDAA OC1(c2ccccc2)CCN(CC2COCCOC2)CC1 1775983861 DHNKWDVFFRKJAR-UHFFFAOYSA-N 291.391 1.633 0 50 CDAA COC[C@H](O)c1ccc(OC[C@@H](O)CNC(C)C)cc1 5760468 OFRYBPCSEMMZHR-ZFWWWQNUSA-N 283.368 1.104 0 50 CDAA world Fc1ccccc1N1CCN(c2ncnc3[nH]cnc23)CC1 18125903 ZMJKIUCPJALXPF-UHFFFAOYSA-N 298.325 1.819 0 50 CDAA c1cnc(N2CCN(Cc3ccc4nc[nH]c4c3)CC2)cn1 19146837 CNPOMBLFCOXBSY-UHFFFAOYSA-N 294.362 1.675 0 50 CDAA COc1ccccc1/C=C1/SC(=O)N(CCN)C1=O 2584105 NSCDHFLVIQHIHK-DHZHZOJOSA-N 278.333 1.690 0 50 CDAA CCc1nc(-c2cnc(C)cc2C)n(CC(=O)O)n1 1857696005 HXXRPDAPYLIMKY-UHFFFAOYSA-N 260.297 1.604 0 50 CDAA CNC(=O)Cn1cc(-n2ccnc2-c2ccccc2)cn1 1857689410 PGZDMSBSASJERT-UHFFFAOYSA-N 281.319 1.482 0 50 CDAA O=C1C[C@@H](Cn2ccnc2-c2cccnc2)CN1C1CC1 1857708156 IDJVGJLWLKMDBR-LBPRGKRZSA-N 282.347 1.956 0 50 CDAA CC(C)Cc1nc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)no1 1857727030 JMKCVFKAJFAQGK-FRRDWIJNSA-N 295.383 1.240 0 50 CDAA C1C[C@@H]2CO[C@H](c3noc([C@H]4C[C@]45CCOC5)n3)CN2C1 329598823 PTEGHCFINUVULS-FJJYHAOUSA-N 291.351 1.499 0 50 CDAA CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCNC2)cc1 236724934 MQISTURNOQKZSR-CABCVRRESA-N 275.396 1.536 0 50 CDAA Cc1cccc(C[C@@H](CNC(=O)[C@H]2CCCO2)C(=O)O)c1 237655488 YKSCUORRZYTDRW-UONOGXRCSA-N 291.347 1.534 0 50 CDAA O=C(O)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 238041812 CEBAVNXOVXDVPF-UHFFFAOYSA-N 299.330 1.809 0 50 CDAA CCC(CC)n1nc(C(=O)N2C[C@H](O)C[C@H]2CO)cc1C 368410863 DYPYYGGXKXTOGZ-QWHCGFSZSA-N 295.383 1.120 0 50 CDAA Cc1ncc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)c(C)n1 262946214 KZBGTZDOSSPYJJ-LOWVWBTDSA-N 289.335 1.419 0 50 CDAA Cc1cc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)ccn1 263161989 GGGGWNVFNSPNFY-GWCFXTLKSA-N 291.351 1.642 0 50 CDAA O=C(c1cccc2nn[nH]c12)N1CC[C@@H]2OCCC[C@H]2C1 163671017 KTGFVBXROBKCHL-GWCFXTLKSA-N 286.335 1.599 0 50 CDAA OC[C@H](CCc1ccccc1)NC[C@@H](O)C1(O)CCCC1 905536829 KBRFLZDNRAHSDB-JKSUJKDBSA-N 293.407 1.236 0 50 CDAA Cc1cnc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1C 933240744 YIQRMZBGFPXIAP-CQSZACIVSA-N 299.378 1.842 0 50 CDAA Cc1nc(O)nc(O)c1NC(=O)C[C@H]1CC=CCC1 934363793 MUHFOWCZWORVGN-VIFPVBQESA-N 263.297 1.881 0 50 CDAA COc1cc2c(cc1OC)C(=O)N1CCC[C@@H]1C(=O)N2 21990484 OTPXJHDUEWRZTQ-SNVBAGLBSA-N 276.292 1.261 0 50 CDAA CCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1 418323 VENBNUJBCZQMCG-UHFFFAOYSA-N 271.276 1.906 0 50 CDAA CC(C)CO[C@@H]1CCN(C(=O)C2(C(=O)O)CC2)C1 119011111 OREHLOOTKNUQMC-SNVBAGLBSA-N 255.314 1.125 0 50 CDAA C[C@H]1CN(CC(=O)NCCc2ccccc2)C[C@@H](C)O1 12377636 ZRQVQXPNBKLCNG-OKILXGFUSA-N 276.380 1.455 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)COC1CCCCC1 237475639 KTUWMPFMTFIWHW-NEPJUHHUSA-N 254.374 1.674 0 50 CDAA Cc1ncsc1C(=O)N(CC(=O)O)C1CCOCC1 237655966 MPJIQNGJAVLRQC-UHFFFAOYSA-N 284.337 1.157 0 50 CDAA C[C@H]1COC[C@H](C)N1C(=O)c1ccc(C(=O)O)cc1 237636332 NVMUGQMKFFDDKB-UWVGGRQHSA-N 263.293 1.634 0 50 CDAA CC(C)C[C@@H](NC(=O)c1ccc2nccn2c1)C(=O)O 178019638 KQYJVEODOLLLGM-LLVKDONJSA-N 275.308 1.563 0 50 CDAA Cn1ncc2c(N[C@H](CO)CC(C)(C)C)ncnc21 178778444 ZXYOANXPIYTASM-VIFPVBQESA-N 263.345 1.572 0 50 CDAA COc1nccc(CN2CC[C@@H](O)CC(C)(C)C2)n1 295233253 OEFMBRDUZHSMBZ-GFCCVEGCSA-N 265.357 1.468 0 50 CDAA CCCc1cc(CNC(=O)CCc2cn[nH]c2)on1 823020310 XOJIVVBEQHWVQR-UHFFFAOYSA-N 262.313 1.599 0 50 CDAA COc1ccc(Cn2cc(-c3cncc(N)n3)cn2)cc1 2100544861 MEZNYZOBBOLUPC-UHFFFAOYSA-N 281.319 1.979 0 50 CDAA O=C(c1cccc2cc[nH]c12)N1C[C@H]2COC[C@@]2(CO)C1 2100545711 ZOETXZVPZXCBDY-LRDDRELGSA-N 286.331 1.249 0 50 CDAA C[C@@H]1CC(=O)N[C@H]1C(=O)N1CCC=C(c2ccccc2)C1 2325767656 NVEGNQPKVJBFQZ-MLGOLLRUSA-N 284.359 1.827 0 50 CDAA NCC(=O)N1CCC(n2ncc3ccccc32)CC1 2325775061 VOTATFVOLRQXKU-UHFFFAOYSA-N 258.325 1.159 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@H]3C[C@H](CN)C3(C)C)c2c1 2325800130 RJGINEWMUQNXPW-RISCZKNCSA-N 286.379 1.746 0 50 CDAA NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1 31319 CTFUCNXKRYTIQE-UHFFFAOYSA-N 251.263 1.407 0 50 CDAA CCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1 270478 PFJGLLWVHWRFKX-UHFFFAOYSA-N 263.349 1.820 0 50 CDAA COc1ccc([C@H]2SC(N)=NN2C(C)=O)cc1 241069 UHYYHFHWFQYWEU-SNVBAGLBSA-N 251.311 1.519 0 50 CDAA Cc1oc2ccc(OCC(=O)O)cc2c1C(=O)O 308154 BQDNUCVDFGLJEK-UHFFFAOYSA-N 250.206 1.903 0 50 CDAA biogenic CC1=C(C(=O)N(C)C)[C@@H](c2cccs2)NC(=O)N1 555253 HKWZKWYCHHSISA-SNVBAGLBSA-N 265.338 1.464 0 50 CDAA Cc1nn2c(=O)c(NC(=O)c3ccccc3)cnc2s1 2869281 SUWBVRZDLIEPMD-UHFFFAOYSA-N 286.316 1.712 0 50 CDAA Nc1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1 4858734 SCMXDDWEIKFCBP-LLVKDONJSA-N 284.315 1.839 0 50 CDAA O=S(=O)(NC1CC1)c1ccc(F)c(F)c1F 6588888 XRKFDHKOXWHUHV-UHFFFAOYSA-N 251.229 1.545 0 50 CDAA CCOC(=O)c1cccc(NC(=O)c2ccnn2C)c1 6698564 KHXQPQJPRPJYJP-UHFFFAOYSA-N 273.292 1.849 0 50 CDAA C[C@@]12C(=O)N(c3nccs3)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 100643013 BZKMZALNEDJMLC-YDEXJTGXSA-N 260.318 1.845 0 50 CDAA Cc1ccc(Cl)cc1N1CCN(CC(N)=O)CC1 55069716 YGJITWAQNHWKEK-UHFFFAOYSA-N 267.760 1.256 0 50 CDAA CCN(CCn1cccn1)C1CCN(C(C)=O)CC1 65425157 FSSJXXHLDNRQMZ-UHFFFAOYSA-N 264.373 1.216 0 50 CDAA CCN1CCC(CNC(=O)CN2CCC[C@H](C)C2)CC1 1506408379 RVYOBOLXVCJWMS-AWEZNQCLSA-N 281.444 1.566 0 50 CDAA Cc1cc(C(=O)NCC(C)C)ccc1N(C)S(C)(=O)=O 65363024 XQGYKKUOSPDQEO-UHFFFAOYSA-N 298.408 1.777 0 50 CDAA CCNC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 65362119 GGVXQPVXIXUMSB-UHFFFAOYSA-N 270.354 1.141 0 50 CDAA NCC[C@@H]1CCCCN1C[C@H](O)COCc1ccccc1 250643609 HWJYHIYGPVAHCD-IRXDYDNUSA-N 292.423 1.767 0 50 CDAA c1ccc([C@@H]2CN(c3ncnc4c3CCNC4)CCO2)cc1 67921885 NTUAFVWJSAGSPK-INIZCTEOSA-N 296.374 1.700 0 50 CDAA COc1ccccc1S(=O)(=O)N1CC[C@@H](N)C[C@H]1C 131738636 CPOMGHPASOPAPL-GHMZBOCLSA-N 284.381 1.196 0 50 CDAA COc1ccc(C[C@@H](C)NN2CCN(C)CC2)cc1OC 23283206 POOXTOCUBLAUIW-CYBMUJFWSA-N 293.411 1.387 0 50 CDAA O=C(CN1CCCCC1=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 252581619 DDTLELDJEWJAJF-QKGCVVFFSA-N 290.407 1.940 0 50 CDAA CCOc1ccccc1-c1cc(NCCO)nc(N)n1 65460030 KTYZPKLBULPORH-UHFFFAOYSA-N 274.324 1.529 0 50 CDAA C[C@@H](Oc1ccc2c(c1)OCO2)c1ccnc(N)n1 1390317 ZDABGWTVEOWTPV-MRVPVSSYSA-N 259.265 1.928 0 50 CDAA COCCNC(=O)CNc1nc(C)nc2scc(C)c12 120860203 PSVLGCNREVGOSM-UHFFFAOYSA-N 294.380 1.483 0 50 CDAA CCN1CCN(C(=O)CCSC)C[C@H]1c1ncc[nH]1 328618764 FBMVLAOGYZNTNC-NSHDSACASA-N 282.413 1.368 0 50 CDAA CCn1cnnc1[C@H]1CN(C2CCCC2)CCO1 328627050 FTBRLEZWMCZSHQ-GFCCVEGCSA-N 250.346 1.614 0 50 CDAA Cc1onc(-c2ccccn2)c1C(=O)N1C[C@H](O)C2(CC2)C1 364448118 MSWWMEOAKOSGLH-LBPRGKRZSA-N 299.330 1.642 0 50 CDAA CC[C@@H]1CCCCN1S(=O)(=O)c1c(N)noc1C 72240890 JWLRWXLBDSXTFQ-SECBINFHSA-N 273.358 1.518 0 50 CDAA CS(=O)(=O)C[C@@H](NCc1cc[nH]n1)c1ccccc1 154952336 KUDCZQPMPWJGCT-CYBMUJFWSA-N 279.365 1.285 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1 156180670 WYXNZGGRQJMARC-STQMWFEESA-N 299.378 1.467 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ns1 373884528 WMDGBEGIPNVYFM-ATZCPNFKSA-N 279.365 1.178 0 50 CDAA CCCc1cc(C(=O)N[C@@H](C)c2noc(C)n2)[nH]n1 132026267 PGVCPRPVSRMRSX-ZETCQYMHSA-N 263.301 1.545 0 50 CDAA CC[C@H](NC(=O)c1cccc(N)n1)c1ccncc1 215446397 DYUJRMISIALCNQ-NSHDSACASA-N 256.309 1.940 0 50 CDAA CCOC1CC2(CCN(C[C@@H]3CC4(CC4)C(=O)O3)C2)C1 375772855 XYKGVQDHFMYJAT-OWYJLGKBSA-N 279.380 1.973 0 50 CDAA COCCC1(C(=O)N2CCC(C(=O)O)CC2)CCCC1 237158293 CIRWHOOSUJLXEK-UHFFFAOYSA-N 283.368 1.907 0 50 CDAA CC(C)OC[C@H](O)CN1C[C@H](C)O[C@]2(CCCOC2)C1 376129396 IFSLIHRACPDKFF-RRFJBIMHSA-N 287.400 1.042 0 50 CDAA CO[C@@H]1C[C@@H]2C[C@H](N[C@@H]3CCc4nc(C)nn4C3)C[C@@H]2C1 333651500 ZAYHVLSXJUTHQT-KHMAMNHCSA-N 290.411 1.695 0 50 CDAA Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)nc1 239174234 POQFWZQVJCRNQJ-XRRVDJEJSA-N 272.304 1.851 0 50 CDAA Cc1nnc(CN2CC[C@]3(CCCN(C)C3)C2)n1C1CC1 339434351 JFMFERFGNFEWNH-INIZCTEOSA-N 289.427 1.839 0 50 CDAA C[S@](=O)c1nncn1-c1nc(C2CCCCC2)ns1 333891679 XGNZTCDLKKTEGK-IBGZPJMESA-N 297.409 1.904 0 50 CDAA C[C@H]1CN(C(=O)CCCN)C[C@H](c2ccsc2)O1 237578315 FIOWGVGCOQSYEJ-CMPLNLGQSA-N 268.382 1.775 0 50 CDAA CO[C@H]1C[C@H](N(C)C(=O)NCC2=CCCOC2)C12CCC2 334098027 UFPIUVWHQQZECG-KBPBESRZSA-N 294.395 1.932 0 50 CDAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)Cc2cncs2)C1 263106617 BJINVNXYSXCBBY-DTWKUNHWSA-N 268.338 1.255 0 50 CDAA Cc1cc(CNC(=O)[C@H]2CNCCO2)c(C(F)(F)F)o1 72426742 RBELPTFTZWOILN-SECBINFHSA-N 292.257 1.211 0 50 CDAA Cc1ccn(C)c1C(=O)N1CCO[C@]2(CCCOC2)C1 286484218 VKVITNWEQPEDRW-OAHLLOKOSA-N 278.352 1.355 0 50 CDAA O=C1CN(c2ccnc(C3CC3)n2)[C@H]2CCCC[C@@H]2N1 132741157 LZFGWUBLOBNYLZ-RYUDHWBXSA-N 272.352 1.601 0 50 CDAA C(CN1CCOC[C@H]1C1CC1)CN1CCOC[C@H]1C1CC1 245792976 OBQUJAPAAQFGOA-IRXDYDNUSA-N 294.439 1.598 0 50 CDAA CC(C)(C)OC(=O)N1CCc2onc(C(=O)O)c2C1 89063925 ZIWZRFMBPIFBRM-UHFFFAOYSA-N 268.269 1.666 0 50 CDAA COCC1(c2noc(CCn3ccnn3)n2)CCCCC1 290223543 YICTVZUWLONFDM-UHFFFAOYSA-N 291.355 1.752 0 50 CDAA CN(CC1(CO)CCCC1)c1cc([C@@H]2CCOC2)ncn1 426509273 DHZPTOKWYXNOFQ-CYBMUJFWSA-N 291.395 1.969 0 50 CDAA O=C(CCn1cnc2ccccc21)NCC1CCOCC1 194979173 UOKHDYSYIAGWHA-UHFFFAOYSA-N 287.363 1.969 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc3nccn3c2)C1 178260945 BYISZBARPCCNHN-AWEZNQCLSA-N 273.292 1.271 0 50 CDAA Cc1nc(O)c2c(n1)CN(C(=O)CCc1cccn1C)C2 426727421 JWOLEZRJAOEWRC-UHFFFAOYSA-N 286.335 1.304 0 50 CDAA COCCC(=O)N[C@H](Cn1ccnc1)c1ccccc1 220721109 OEYYZOBQRMPQKU-CQSZACIVSA-N 273.336 1.777 0 50 CDAA O=C(NCCc1nnc2n1CCCCC2)C1[C@@H]2CCC[C@@H]12 177628947 YLJGVTSULBTRON-VXGBXAGGSA-N 288.395 1.709 0 50 CDAA O=C([C@@H](O)c1ccc(Cl)cc1)N1CCc2[nH]ncc2C1 291513043 QRWCFMVYAWVMEK-ZDUSSCGKSA-N 291.738 1.681 0 50 CDAA COc1cccc([C@@H]2CCN2C(=O)c2ccc(=O)n(C)n2)c1 97785016 PBHUTSCTTHIVMY-AWEZNQCLSA-N 299.330 1.376 0 50 CDAA NC[C@H]1CCCCN1C(=O)c1ccccc1-n1cnnc1 97480176 DPXNQLNTYGOQNW-GFCCVEGCSA-N 285.351 1.221 0 50 CDAA CCCc1ncncc1C(=O)N1[C@H]2CC[C@@H]1CCNC2 97532489 HRFSSBYCNVGNAM-NEPJUHHUSA-N 274.368 1.396 0 50 CDAA CNc1ncc(I)nc1Cl 230530888 ZWGWECWOJJJCPK-UHFFFAOYSA-N 269.473 1.776 0 50 CDAA CC(C)[C@]1(O)CN(CC(=O)N2CCCCC2)C[C@H]1C 91635833 WASKRQPKAMRQCI-UKRRQHHQSA-N 268.401 1.338 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)O)C1 97759113 YNVGTUFITNZFBB-QPUJVOFHSA-N 259.302 1.079 0 50 CDAA CC(C)[C@]1(O)CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1C 91906942 WOGQVNLQNXMWGV-BDJLRTHQSA-N 289.379 1.833 0 50 CDAA CCc1ncc(C(=O)N(C)CCCc2cnn(C)c2)cn1 95383797 DDLRZXZVCCPQBX-UHFFFAOYSA-N 287.367 1.477 0 50 CDAA COCCN1CCC[C@H](c2nccn2CCOC)C1 91486376 SFTOKYKMXWQANN-ZDUSSCGKSA-N 267.373 1.355 0 50 CDAA CC1=CC[C@@H](N[C@@H]2CCC(=O)N[C@H]2c2ccnn2C)CC1 294834083 YQBYDIFINAASKI-XJKCOSOUSA-N 288.395 1.828 0 50 CDAA CCN(C(=O)c1csc(C(C)C)n1)[C@H]1COC[C@@H]1O 244608519 FEBYUQHAHYLNBI-QWRGUYRKSA-N 284.381 1.488 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1cccc(O)n1 253537284 JOOGUVRKZDDUGF-VIFPVBQESA-N 275.312 1.280 0 50 CDAA Cc1ccc(C)n1CCC(=O)NCCNc1ncccn1 253413189 UCCJJCUKPWAQOS-UHFFFAOYSA-N 287.367 1.513 0 50 CDAA COC(=O)c1cn(C2CCCCC2)cc2c(=O)[nH]nc1-2 253410371 NGGHRXJCXVENKC-UHFFFAOYSA-N 275.308 1.968 0 50 CDAA COC[C@H]1CN(c2cc3nncn3c(C)n2)CC(C)(C)O1 299149601 YRZDYNSCQCANGH-LLVKDONJSA-N 291.355 1.063 0 50 CDAA Cn1ccnc1CCNC(=O)c1ccc2c(c1)CCC2 534645970 KVYWAJQMAUMJCP-UHFFFAOYSA-N 269.348 1.881 0 50 CDAA CC(C)[C@H](NC(=O)c1n[nH]c(O)n1)c1cccnc1 534577172 GEVSRLUALINSHA-VIFPVBQESA-N 261.285 1.032 0 50 CDAA C[C@H](Cn1cncn1)NCc1ccc(C(=O)O)cc1 534644771 ZDSNCTWFPCEBCC-SNVBAGLBSA-N 260.297 1.155 0 50 CDAA CSCCN1CCN(C(=O)CCc2cccnc2)CC1 299801220 WPBOUNCVCNURKO-UHFFFAOYSA-N 293.436 1.521 0 50 CDAA O=C(c1cncs1)N1CCN(CC(F)(F)F)CC1 298091325 UFPVUDZRDCIAOW-UHFFFAOYSA-N 279.287 1.463 0 50 CDAA CC[C@@H](CNc1cncc(N(C)C)n1)N1CCOCC1 822629002 SPSIMSRFVMHGDP-LBPRGKRZSA-N 279.388 1.065 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)C(C)(C)COC 823036194 TXUGWSTUNFEZIV-SNVBAGLBSA-N 268.361 1.538 0 50 CDAA COCCN1CCC(CNC(=O)c2cncc(C)c2)CC1 824412421 PEIBYQXHDLKWGW-UHFFFAOYSA-N 291.395 1.478 0 50 CDAA COC[C@@H](C)N(Cc1cccc(OC)c1)S(C)(=O)=O 824339228 VZLOKVURUITNIS-LLVKDONJSA-N 287.381 1.492 0 50 CDAA COCCCC1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1 584890491 JHRYKDWCFFKRHB-OAHLLOKOSA-N 298.427 1.108 0 50 CDAA CN1CCOC[C@@H](CNC(=O)c2cccc3cc[nH]c23)C1 584889664 UOTIDXFBTDRJNH-LBPRGKRZSA-N 287.363 1.476 0 50 CDAA 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1.351 0 50 CDAA COCC1(Cn2cnc3cccnc3c2=O)CCC1 584893416 CQSPZCLIDWGLBB-UHFFFAOYSA-N 259.309 1.608 0 50 CDAA COc1ccc2ncn(CC3(C)COC3)c(=O)c2c1 584891403 OEEPRTAREBKIFP-UHFFFAOYSA-N 260.293 1.442 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)c1c(C)nc2ncccn12 670441036 NQHAGXYJPNWIAH-UHFFFAOYSA-N 298.350 1.350 0 50 CDAA COCc1nc(-c2ccc(-n3ccnc3)cc2)n(CCO)n1 670451370 BXNZERGSBITMEL-UHFFFAOYSA-N 299.334 1.270 0 50 CDAA CN(CCn1cnnc1)c1ccc(C(F)(F)F)cn1 952992849 ZMEKNXWBRRBYNS-UHFFFAOYSA-N 271.246 1.828 0 50 CDAA COC[C@@H]1CN(Cc2cc(C(=O)O)cs2)C[C@@H](C)O1 872158810 IQLREPGRPXBSGP-KOLCDFICSA-N 285.365 1.682 0 50 CDAA O=C(c1nc[nH]c2ncc(Br)c1-2)N1CCCC1 1875329301 PDQDGFFYWSZOHO-UHFFFAOYSA-N 295.140 1.908 0 50 CDAA C[C@@H]1CCOCCN1C(=O)c1coc(-c2ccccn2)n1 879383740 GGORWNKWXVDEJK-LLVKDONJSA-N 287.319 1.988 0 50 CDAA O=S(=O)(N[C@@]12COC[C@@H]1C2)c1ccc(Cl)c(F)c1 885490975 JISQJHOYOYPCQM-CPCISQLKSA-N 291.731 1.546 0 50 CDAA CCn1nnnc1NC(=O)c1csc(Cl)c1 1333572251 DCNXKGKUPFJFFR-UHFFFAOYSA-N 257.706 1.660 0 50 CDAA CCn1ccc(CNCc2ccc3c(c2)oc(=O)n3C)n1 1308436288 JZHSFZZHHSSGEH-UHFFFAOYSA-N 286.335 1.638 0 50 CDAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2cc[nH]n2)C1 1775957133 FECHYOUSRSLMRT-DZGCQCFKSA-N 288.351 1.473 0 50 CDAA O=c1cc(CN2CCC[C@H](n3cccc3)C2)[nH]c2ccnn12 1775996637 BGKSJCQRJCRYMW-AWEZNQCLSA-N 297.362 1.661 0 50 CDAA COCc1cn(CCn2cnc3ccccc32)nn1 899706501 ONMLACSYENLFPV-UHFFFAOYSA-N 257.297 1.474 0 50 CDAA Cc1cc(C)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)[nH]1 408051374 JSRQPWKGQXQUMN-BFHYXJOUSA-N 292.379 1.634 0 50 CDAA CCn1cccc(CNC(=O)[C@H]2CCCO[C@@H]2C)c1=O 408473757 SZJAYCGVGAFMFI-YPMHNXCESA-N 278.352 1.300 0 50 CDAA CCOC(=O)c1nnc2n1CCN(C(=O)OC(C)(C)C)C2 40448959 MNWBJXRJIWJHHY-UHFFFAOYSA-N 296.327 1.206 0 50 CDAA in-vitro Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)c(-n2cncn2)n1 170607813 WLUHIZKJXVLAKH-CYBMUJFWSA-N 297.362 1.943 0 50 CDAA COc1ccncc1NC(=O)c1ccc2nccn2c1 171168082 BIPQGHHLMXEYBR-UHFFFAOYSA-N 268.276 1.990 0 50 CDAA Cc1cnc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cn1 188705238 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1.081 0 50 CDAA C=CC(=O)N[C@@H](CCc1ccc(OC)cc1)C(=O)OC 1875369951 SIEPVDDOKAAGGC-ZDUSSCGKSA-N 277.320 1.472 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CNC1CC1)C2 1704298968 LEYWZKXIIPQUEV-UKRRQHHQSA-N 266.385 1.546 0 50 CDAA CCN(C)c1cc(NC[C@H](CO)Cc2ccco2)ncn1 1704345309 XIJLCSRLYSDMQZ-GFCCVEGCSA-N 290.367 1.789 0 50 CDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@@H]1CCCO1 613106 PPYCNTFFDCZBAM-NSHDSACASA-N 299.348 1.151 0 50 CDAA CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C1CC1 157170187 OVPNMGDSNVCRPM-JTQLQIEISA-N 284.385 1.318 0 50 CDAA CN(C)c1ccc(-c2noc([C@]34CC[C@H]3CNC4)n2)nc1 1615058066 LEUFPWBMRQASKM-BONVTDFDSA-N 285.351 1.449 0 50 CDAA COc1cccnc1C(=O)NC(C)(C)[C@H](O)C(F)(F)F 1615548474 MVGRJOXWCNOYAV-JTQLQIEISA-N 292.257 1.522 0 50 CDAA CCOc1cccc(CC(=O)N2C[C@@H]3CCC[C@]3(N)C2)n1 1615544576 CBFLYEDEDOZHJL-LRDDRELGSA-N 289.379 1.363 0 50 CDAA CCc1nc(CNC(=O)Cc2c(C)nn(C)c2C)co1 1615590360 LBSBHRMOYYVTHS-UHFFFAOYSA-N 276.340 1.446 0 50 CDAA Cc1cc(N[C@H]2COC[C@@H]2Cc2ccncc2)nc(N)n1 1616079155 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FERXSVAAOMZRBU-MRVPVSSYSA-N 276.296 1.223 0 50 CDAA C[C@H](C(=O)c1c[nH]c2ncccc12)N(C)CCn1ccnc1 1875281759 VMHCSDHLSRUOQY-GFCCVEGCSA-N 297.362 1.963 0 50 CDAA O=C(NCc1nc2ccccc2n1C1CC1)C1(O)CC1 1875293492 SCWJHWLNPWYLQZ-UHFFFAOYSA-N 271.320 1.512 0 50 CDAA Cc1ccccc1C(=O)N1CC[C@@]2(C1)OC(=O)N[C@@H]2C 1875299349 IJXLPXNAFRXMMT-ABAIWWIYSA-N 274.320 1.708 0 50 CDAA CC1(C)C[C@@](C)(NCc2cn(C3CCC3)nn2)C(=O)O1 952964663 VAEXMEYLENMZHW-CQSZACIVSA-N 278.356 1.577 0 50 CDAA COC(=O)c1ccccc1Cn1c(C(C)C)noc1=O 1875391669 RCIOVLSSXUYQIV-UHFFFAOYSA-N 276.292 1.795 0 50 CDAA COc1ccc(CNc2ccc3ccn(C)c(=O)c3c2)nn1 1875316546 YMEJPAWWBXEHOE-UHFFFAOYSA-N 296.330 1.949 0 50 CDAA CC1=C(C(=O)N(C)Cc2cnc3ccccc3n2)OCCO1 952978194 DOHVIVAIESZOFC-UHFFFAOYSA-N 299.330 1.867 0 50 CDAA CC[C@H](C)[C@H](C(=O)Nc1n[nH]c(C(C)C)n1)n1cnnn1 888090805 VRGFPHJDPZPICR-DTWKUNHWSA-N 292.347 1.141 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C(C)(C)C)C1 958528547 QFGDSVRKXYGAKX-IINYFYTJSA-N 272.389 1.732 0 50 CDAA Cn1cnc(CNC(=O)[C@@H]2CCc3cccc(O)c32)c1 890106529 BRUPGTZKILMFNY-GFCCVEGCSA-N 271.320 1.472 0 50 CDAA O=C(NCC1CCCCC1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 245227995 UWOWKGPJBKLTCL-LPWJVIDDSA-N 279.336 1.337 0 50 CDAA CC(C)(C)OC(=O)NCC12CCC(CN)(CC1)CO2 1772717345 UTMMNVZOSDABLT-UHFFFAOYSA-N 270.373 1.799 0 50 CDAA C=CC(=O)N[C@H](CC)C(=O)N(C)C1CCCCC1 1776000354 WFBUSOMBVGMXOT-GFCCVEGCSA-N 252.358 1.858 0 50 CDAA O=C(c1cccc(O)c1F)N1CC[C@@H](c2ncccn2)C1 1364251668 CRRBTZZBJZCYKM-SNVBAGLBSA-N 287.294 1.951 0 50 CDAA CO[C@@]1(C(F)(F)C(=O)O)CCN(C(=O)OC(C)(C)C)C1 1535543626 JEHSCTNFJZUKMV-NSHDSACASA-N 295.282 1.732 0 50 CDAA CCC1(C(=O)NCc2c(C)nn(C)c2C)CCOCC1 272388907 XFIKWWAYPJLLAS-UHFFFAOYSA-N 279.384 1.860 0 50 CDAA COC[C@H](NC(=O)NC[C@H]1CCc2nccn2C1)C1CC1 275572267 IYTXIAYDUZMCHY-YPMHNXCESA-N 292.383 1.170 0 50 CDAA NCc1ccc(C(=O)N2CCOC[C@@H]2C2CC2)cc1 186481817 NQOXZUWNBFLQMN-CQSZACIVSA-N 260.337 1.396 0 50 CDAA CNC[C@H]1CCCN1Cc1cc(OC)c2c(c1)OCCO2 170082933 UCFAIJHOHJGAQS-CYBMUJFWSA-N 292.379 1.650 0 50 CDAA CCSCc1cc(C(=O)NC2CCC(O)CC2)no1 170083177 VHTZXKGGAPVNMK-UHFFFAOYSA-N 284.381 1.961 0 50 CDAA C/C(=C\c1ccccc1)CN1CC[C@](O)(Cn2ccnn2)C1 671491295 BULCHSQJPHQSON-GSPCDJLXSA-N 298.390 1.818 0 50 CDAA CC1(C)[C@H]2CN(C(=O)c3csc(-c4nc[nH]n4)n3)C[C@@H]21 408231544 NQECBRYGKKAVJM-YUMQZZPRSA-N 289.364 1.656 0 50 CDAA O=C(NCc1ccnc(-n2cccn2)c1)c1cncc(O)c1 109945779 VVBXEGKHVZWDKL-UHFFFAOYSA-N 295.302 1.298 0 50 CDAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cnc2[nH]cnc2c1 677910482 BPDYKGLAIMQJEX-RNCFNFMXSA-N 285.351 1.170 0 50 CDAA CCOC(=O)CCN1CCN(c2cncc(OC)c2)CC1 585133785 VCNSSCJUOZKUCT-UHFFFAOYSA-N 293.367 1.165 0 50 CDAA CCC1(CC)[C@@H](NC(=O)CCc2cnn[nH]2)C[C@@H]1OC 585135406 HZDCPEDTSYYHRZ-RYUDHWBXSA-N 280.372 1.447 0 50 CDAA C[C@@H]1CC(=O)C[C@H](C2CC2)N1C(=O)COC[C@H]1CCCO1 585125610 YRILBWVXUOJTCP-KCPJHIHWSA-N 295.379 1.541 0 50 CDAA Cc1cc(C2(NC(=O)[C@@H]3NCC3(C)C)CCOCC2)on1 638764327 SOTADXFEFCJTLP-LBPRGKRZSA-N 293.367 1.103 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)Nc1cc(CN(C)C)ccn1 188918545 ZDFODLVHTWRURH-DGCLKSJQSA-N 277.368 1.897 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)c1nccnc1N 189057057 NMKUZIUULXEHME-KOLCDFICSA-N 278.356 1.240 0 50 CDAA COc1ccc(CCS(=O)(=O)[C@H]2CCO[C@@H]2C)cc1 191056948 CHXBCBXCDFZJPU-RISCZKNCSA-N 284.377 1.830 0 50 CDAA CCn1nnc(C)c1CN1CCC[C@H](c2ccnn2C)C1 566601500 XPHXRWKXMFAHCQ-ZDUSSCGKSA-N 288.399 1.720 0 50 CDAA O=C(NCc1ccoc1C(=O)O)c1n[nH]c2c1CCCC2 659198503 UHCUXZTUASBNIR-UHFFFAOYSA-N 289.291 1.510 0 50 CDAA O=C(O)c1cc(-n2cccn2)nc(-n2cccn2)c1 196186141 AABBIGVHMABWQY-UHFFFAOYSA-N 255.237 1.151 0 50 CDAA C[C@@H](C(=O)Nc1nccn1C)n1cnc2ccccc2c1=O 1506427556 MWWNYIWJXNKGHZ-JTQLQIEISA-N 297.318 1.330 0 50 CDAA Cc1cccnc1N1CCC2(CC1)CC(=O)NC(=O)C2 1506416506 WQIXBPWADLYHFN-UHFFFAOYSA-N 273.336 1.413 0 50 CDAA COCCN(C[C@H]1CCCO1)C(=O)C1CC=CC1 1506421099 VSPJHAKPEQQDMH-CYBMUJFWSA-N 253.342 1.607 0 50 CDAA Cc1nncn1CCN1CCC([C@@H](O)CC(C)C)CC1 1506421418 JHQSDPCJZOZGBC-HNNXBMFYSA-N 280.416 1.706 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)c(O)n1 408333574 GDNQZVDLIZKFFJ-NXEZZACHSA-N 250.298 1.849 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCC(=O)N(C)C)C2 1704298611 JEGKDGZBSLSIQR-CZUORRHYSA-N 296.411 1.663 0 50 CDAA CCc1cc(N[C@H]2CNCC[C@@H]2O)n2nc(C)c(C)c2n1 222504397 JLVMEDQOOJHTIS-STQMWFEESA-N 289.383 1.043 0 50 CDAA OC[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C[C@@H]1O 521290035 UIIWLSMXBULEDT-SCZZXKLOSA-N 276.258 1.280 0 50 CDAA COc1cccc([S@](=O)Cc2nnc(C)n2C)c1 123402288 ZQFUFYJOWZAKAG-SFHVURJKSA-N 265.338 1.440 0 50 CDAA Cc1cccc(Br)c1S(N)(=O)=O 238498763 AZJQRXQXWXWKQP-UHFFFAOYSA-N 250.117 1.405 0 50 CDAA in-vitro COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCNC1 22013896 HKYHGXQKYQHGFW-NXEZZACHSA-N 272.345 1.052 0 50 CDAA in-vitro CCS(=O)(=O)NCc1cn(-c2c(C)cccc2C)nn1 1615570867 CNPDCZJIVVYIOC-UHFFFAOYSA-N 294.380 1.323 0 50 CDAA Cc1cc(N2C[C@H](CO)[C@@H](CO)C2)nc2cc(F)ccc12 1615697441 TZVVQDZPCSDRRO-VXGBXAGGSA-N 290.338 1.719 0 50 CDAA Cc1cccc(CN2C[C@H](Cc3ccncc3)[C@@H](O)C2)n1 1615965825 NIDJELBCUJIVQZ-RDJZCZTQSA-N 283.375 1.820 0 50 CDAA O=C(NC1(c2ncon2)CC1)c1ccc(OC(F)F)cn1 1616031912 GKZVBJCHVQGIBO-UHFFFAOYSA-N 296.233 1.485 0 50 CDAA Cn1cnc2cc(C(=O)N3C[C@@H]4C[C@]4(C)C3)ccc2c1=O 1772814612 JYIWPPGSWUHBDD-MEDUHNTESA-N 283.331 1.416 0 50 CDAA CNCc1nnc(NCC2CCN(C3CCCC3)CC2)o1 1772709969 NHLRUYJZTIXGLD-UHFFFAOYSA-N 293.415 1.856 0 50 CDAA O=C(NN1C(=O)CCC1=O)c1cccc(Cl)c1 5428152 AUEJHWIHUPVGBQ-UHFFFAOYSA-N 252.657 1.134 0 50 CDAA COC(n1nnc2ccccc21)n1nnc2ccccc21 5355656 XFLYFWLTLVFZHH-UHFFFAOYSA-N 280.291 1.827 0 50 CDAA COc1cn(C)nc1[C@H](C)N=c1ccc2ncc[nH]c-2n1 1640453137 PREFGBXEKYLOOC-VIFPVBQESA-N 284.323 1.314 0 50 CDAA CC(C)(C)OC(=O)NC1(CC(=O)O)CCOCC1 14632724 NFOXLDGTCZNVBA-UHFFFAOYSA-N 259.302 1.535 0 50 CDAA COc1ccc(S(=O)(=O)n2ccc(C)n2)c(C)c1 16577281 TYGFKPVDUJOXIA-UHFFFAOYSA-N 266.322 1.746 0 50 CDAA Cc1ccc(OC[C@H](O)CN[C@@H](C)CCO)c(C)c1 19146168 DEOOYKKCFLVNMU-UONOGXRCSA-N 267.369 1.404 0 50 CDAA COc1ccc(S(N)(=O)=O)cc1Br 19828973 GZHORVCXHKVLRE-UHFFFAOYSA-N 266.116 1.105 0 50 CDAA NC(=O)CC(=O)c1c[nH]c2ccc(Br)cc12 169725911 NEXUSMKZAGJKBC-UHFFFAOYSA-N 281.109 1.989 0 50 CDAA O=C([C@H]1CCOC1)N1CCc2[nH]nc(C3CC3)c2CC1 1857680057 AHHORTRGYFORFP-NSHDSACASA-N 275.352 1.251 0 50 CDAA Cc1ncc(CN2C[C@H](C(=O)O)C3(CCOCC3)C2)n1C 1857694131 BSLVUEGYQVCVFA-CYBMUJFWSA-N 293.367 1.042 0 50 CDAA N[C@@H]1C[C@@H](C(=O)N2CCc3sccc3C2)CC[C@H]1O 1857729282 WCUFGNTZPUPFSV-MVWJERBFSA-N 280.393 1.121 0 50 CDAA CCCc1cnc(N2CC[C@@](CO)(CCC)[C@@H](O)C2)nc1 1875250082 WFGMUGITMBPJGL-GOEBONIOSA-N 293.411 1.779 0 50 CDAA O=C(O)C1CCN(S(=O)(=O)c2ccccc2)CC1 168779 ROBBWMKVNMSDPF-UHFFFAOYSA-N 269.322 1.172 0 50 CDAA in-vitro N[C@@H]1CCN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 519707559 RVHNHWQFUPQHLU-CYBMUJFWSA-N 289.379 1.966 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(-n2ccnn2)c1 119292274 FDCYNZJEBJVVQY-MFKMUULPSA-N 272.308 1.631 0 50 CDAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2[nH]c(C)cc2C)C1 331373762 CKDSFZJWAPDFBW-MNOVXSKESA-N 289.339 1.352 0 50 CDAA CCc1n[nH]c([C@H]2CN(C(=O)Cc3ccoc3)CCO2)n1 126945117 BBTZQBRRRBSPMU-LLVKDONJSA-N 290.323 1.103 0 50 CDAA Cc1nn(C)cc1CC(=O)N1CCOC[C@@H]1C1CCC1 335392306 IZKNTYUBMGGBOD-CQSZACIVSA-N 277.368 1.299 0 50 CDAA CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1nncs1 130001870 VDKBWUOVBPYOHB-VIFPVBQESA-N 296.396 1.904 0 50 CDAA CCCc1cc(N2C[C@H]3CCCN[C@H]3C2)n2nccc2n1 248199385 UHPLYAKLQVMPIC-OCCSQVGLSA-N 285.395 1.870 0 50 CDAA CCc1nc(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)n[nH]1 253396832 OSXPREPAFNEPLD-STQMWFEESA-N 290.342 1.814 0 50 CDAA CN1CCC[C@@H]1[C@](C)(O)c1ccc(OCCO)cc1 818023870 CCEONKOCWQJAIQ-HUUCEWRRSA-N 265.353 1.359 0 50 CDAA Cc1cnc([C@@]2(NC(=O)c3ncccc3C)CCOC2)[nH]1 818674215 NJRXVESAIZOIHG-OAHLLOKOSA-N 286.335 1.467 0 50 CDAA O[C@H](CN[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(F)cn1 819162248 GLKLKZKXPWSUCZ-GBOPCIDUSA-N 280.343 1.801 0 50 CDAA O=C([C@H]1CCCS(=O)(=O)C1)N1CCC[C@H]1C(F)(F)F 913018651 NZNPLVQQOZAITF-IUCAKERBSA-N 299.314 1.365 0 50 CDAA COC[C@@H]1CN(Cc2noc3c2COCC3)CC(C)(C)O1 930384886 YFMSJOTUOFRQTD-NSHDSACASA-N 296.367 1.373 0 50 CDAA CC(=O)Nc1nc(CN2CCn3ccnc32)cs1 931529368 PYKFRAWJIJKSLU-UHFFFAOYSA-N 263.326 1.318 0 50 CDAA Cc1noc([C@H]2CN(Cc3nonc3C)C[C@@H](C)O2)n1 859724987 CCQXMZVHVWJMSC-RDDDGLTNSA-N 279.300 1.031 0 50 CDAA C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)O)c1ccc2c(c1)OCO2 252446573 WYKNGVADTZQESA-UJNFCWOMSA-N 277.276 1.313 0 50 CDAA COc1cccc(CCC(=O)N2C[C@H](C)N[C@@H](C)C2)c1 154061849 LRYZGUDRBYFFMD-STQMWFEESA-N 276.380 1.837 0 50 CDAA C[C@@H](CN1CC[C@H](Oc2ccccn2)C1)CS(C)(=O)=O 330365356 ADKAIIWHXVVHQJ-STQMWFEESA-N 298.408 1.215 0 50 CDAA O=C(NCc1ccc2c(c1)CCCC2)[C@H]1C=CCN1 534591653 ZOGMVGDPXZLLQN-OAHLLOKOSA-N 256.349 1.710 0 50 CDAA O=C(CSc1ncn[nH]1)c1ccc2c(c1)OCCO2 4785098 FUZRMCQAZVTKFG-UHFFFAOYSA-N 277.305 1.551 0 50 CDAA O=CN1N=C(C(F)(F)F)C[C@]1(O)c1ccncc1 301845 GHGNIOAAJRMRPN-VIFPVBQESA-N 259.187 1.007 0 50 CDAA O=C(NCc1cccc(CO)c1)N1C[C@@H]2[C@H](C1)C2(F)F 844953751 OIUAAPDLGTYUIJ-TXEJJXNPSA-N 282.290 1.585 0 50 CDAA Cn1nccc1-c1ccnc(N2C[C@@H]3CCC[C@H](C2)O3)n1 2325767443 UOGLOHZTHHFMAJ-TXEJJXNPSA-N 285.351 1.635 0 50 CDAA 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50 CDAA C[C@H]1CCNC[C@H]1N=c1ccc2nnc(C(C)(C)C)n2[nH]1 643027515 DOINHCCEJCYUFN-WDEREUQCSA-N 288.399 1.254 0 50 CDAA O=C(O)c1ccc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)nc1 647454331 LLHDCQMJPIDSNT-JHJVBQTASA-N 292.335 1.146 0 50 CDAA Cc1nc(Cl)cc(N2CCC(O)(CN(C)C)CC2)n1 710630380 FKLFCDMNIKFTOQ-UHFFFAOYSA-N 284.791 1.331 0 50 CDAA O=C(NCc1nc2cccnc2[nH]1)Nc1ccccn1 194610526 GYBUZXDWOKIHKF-UHFFFAOYSA-N 268.280 1.675 0 50 CDAA Cc1nc(CN(CC(=O)O)Cc2ccc(F)c(F)c2)n[nH]1 579132715 JHTPOLFSKRVQOF-UHFFFAOYSA-N 296.277 1.478 0 50 CDAA CC(=O)NCC1CCN(c2cccc([C@@H](C)O)n2)CC1 96141178 MSHKKVNLFZBXSV-LLVKDONJSA-N 277.368 1.487 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)c2cc(C)on2)s1 1506401943 GPIZIVHLOCLHIP-ZCFIWIBFSA-N 268.298 1.794 0 50 CDAA CCc1[nH]nc2c1CN(c1cccc(C(=O)N(C)C)n1)CC2 1506400742 XMXIHXQRGYIHBZ-UHFFFAOYSA-N 299.378 1.632 0 50 CDAA Cn1ccnc1SCCNC1CSCCSC1 1506401582 JUWHZDCKMDSANY-UHFFFAOYSA-N 289.495 1.950 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1CCOC[C@@H]1O 629229169 UMSRAMQNZHUCJZ-UWVGGRQHSA-N 284.381 1.455 0 50 CDAA CCC[C@@H]1C(=O)NCCN1C(=O)c1scnc1CC 122601656 AUUPVVZCCNDINM-SNVBAGLBSA-N 281.381 1.446 0 50 CDAA CC[C@H](C(=O)NCc1nc(C)no1)C1(O)CCCCC1 1615587231 WAUVXQZOAQCJBT-LLVKDONJSA-N 281.356 1.716 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N[C@H]2C[C@H](N)C23CCC3)c1 1615553668 IJKXVWSUXMZODF-STQMWFEESA-N 299.378 1.126 0 50 CDAA N[C@H]1CC12CC(NC(=O)c1cc(C(F)(F)F)ncn1)C2 1615547414 TYQJAMDIMQFEHF-WINXVSCGSA-N 286.257 1.105 0 50 CDAA Nc1ccn2ncc(C(=O)N3CC[C@H]4[C@H](C3)C4(F)F)c2c1 1615555215 ZNQBUECDKUNZKM-QWRGUYRKSA-N 292.289 1.644 0 50 CDAA NC(=O)Cc1ccc(OCC(=O)N[C@H]2CCC[C@H]2F)cc1 1615539794 YINAEHDKBDCIPM-OLZOCXBDSA-N 294.326 1.100 0 50 CDAA CC(C)c1cncc(NC(=O)[C@]23CNC[C@H]2CCOC3)c1 1615555830 YLSZHWRYYJCZOG-CJNGLKHVSA-N 289.379 1.770 0 50 CDAA CC(C)(C)c1csc([C@@H]2CN(CC(=O)O)CCO2)n1 236626046 ZLSZRXHOIMCMAE-VIFPVBQESA-N 284.381 1.899 0 50 CDAA Cc1csc(=O)n1CC(=O)N(C)CC1CCCC1 126738309 PXTLVHQUSWYMSY-UHFFFAOYSA-N 268.382 1.867 0 50 CDAA CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)O)C1 236866038 GGWDHTGUDHZBJE-GHMZBOCLSA-N 256.346 1.088 0 50 CDAA C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CCN 237537687 WUSRXIZZCVWDNT-MFKMUULPSA-N 282.771 1.977 0 50 CDAA Brc1ccc(NCCN2CCOCC2)nc1 21501213 OBYPVXGEXMMHLO-UHFFFAOYSA-N 286.173 1.588 0 50 CDAA in-vitro CC(C)(O)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1 365255093 HAWMYCFFQFPDQB-SNVBAGLBSA-N 282.771 1.806 0 50 CDAA CC1=C(N(C)C[SH](=O)=O)CN(c2ccccc2)N1C 5500193 ZAIHDXUEOXNGNI-UHFFFAOYSA-N 281.381 1.086 0 50 CDAA COC(=O)CCP(CCC(=O)OC)CCC(=O)OC 12650613 GCGYESORUFVNSP-UHFFFAOYSA-N 292.268 1.158 0 50 CDAA Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(C)CC2)c1 13710658 KLCKVASULLWZDI-CQSZACIVSA-N 276.380 1.845 0 50 CDAA COCCCNC(=O)C1CCN(C(=O)C(C)(C)C)CC1 16649395 LPXLHNNSRXHDDZ-UHFFFAOYSA-N 284.400 1.424 0 50 CDAA Cc1cc(C)n(-c2ccc(SCC(=O)O)nn2)n1 16769937 NRXOLYKPJHIVDM-UHFFFAOYSA-N 264.310 1.456 0 50 CDAA COc1cc(OC)cc(C(=O)/C=C/[C@H]2COCO2)c1 8206553 CCKQSOIWFIRDET-UFFNRZRYSA-N 264.277 1.816 0 50 CDAA COCc1cc(N2C[C@@H]3C[C@@H]4COC[C@@H]4[C@@H]3C2)ncn1 1857713448 JPWOELZUZAMLIQ-UNJBNNCHSA-N 275.352 1.342 0 50 CDAA COc1cnc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)nc1 645809421 CRMGDHPAAQMAPZ-ABAIWWIYSA-N 291.351 1.252 0 50 CDAA Cc1nc(O)cc(-c2ccc([C@H]3CNC(=O)C3)cc2)n1 1875246694 FNZBXDKRJZHUIL-GFCCVEGCSA-N 269.304 1.761 0 50 CDAA CN(C[C@@H]1CCC[C@H]1O)c1cc(NCC2CC2)ncn1 301826359 MYFHKUDCAKPLNG-QWHCGFSZSA-N 276.384 1.896 0 50 CDAA Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CO)cc1Cl 121006562 UHUCCVLFMOCZDY-NSHDSACASA-N 296.754 1.570 0 50 CDAA COC[C@@H](C)N[C@@H](c1nc(C)no1)C1CCOCC1 328634843 UICHIUPJSXRLMU-BXKDBHETSA-N 269.345 1.470 0 50 CDAA N=C(O)C(NC(=O)[C@H]1CCCc2sccc21)C(=N)O 331227738 YSLAFGSXCGGANM-ZETCQYMHSA-N 281.337 1.723 0 50 CDAA CO[C@@H](C(=O)N1CCc2n[nH]cc2C1)c1ccc(O)cc1 332731418 ZVAWSMQLVDCPKM-CQSZACIVSA-N 287.319 1.388 0 50 CDAA Cc1cccc(CNC(=O)CN2CCCC[C@@H](CO)C2)c1 374043145 NUHACVKXXDMPLQ-MRXNPFEDSA-N 290.407 1.706 0 50 CDAA CC[C@H](COC)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583619485 ONNFPCWUWGCBEH-NFAWXSAZSA-N 277.368 1.368 0 50 CDAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C(F)=C1CCCC1 818526815 QFXSDIFUFGSYTI-MJBXVCDLSA-N 296.386 1.888 0 50 CDAA CCn1ccnc1-c1nc(-c2cnn(CCF)c2)no1 901998863 IUVSEMUSQUVEAD-UHFFFAOYSA-N 276.275 1.786 0 50 CDAA O=C(Cc1ccn(CC(F)(F)F)n1)N1CCn2nccc21 905318034 GFNDKRMYYDGKGT-UHFFFAOYSA-N 299.256 1.231 0 50 CDAA CCOC(=O)c1c(C)nc(N2CCC(O)CC2)nc1C 1875303345 PAZDKKRCMXRAKH-UHFFFAOYSA-N 279.340 1.231 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)C1(CCc2ccccc2)CC1 827541037 KNJDEKXXCHERTM-HUUCEWRRSA-N 289.375 1.665 0 50 CDAA CN(C)c1ncccc1COC(=O)C1CCC(=O)CC1 838958156 VYGYCNKEGNSPAL-UHFFFAOYSA-N 276.336 1.950 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@]2(CO)[C@H]1C2(F)F 1857782054 JRIWQEMJPSRRPD-OIBJUYFYSA-N 265.256 1.002 0 50 CDAA C=CC(=O)NCCC(=O)N1CC(Cc2ccsc2)C1 857738712 KFSVGVUHSINBGX-UHFFFAOYSA-N 278.377 1.441 0 50 CDAA CCCCc1nc(C2=NO[C@H](C(=O)O)C2)c(Cl)[nH]1 1857533496 GEVWUPODVWOECA-ZETCQYMHSA-N 271.704 1.983 0 50 CDAA CCOC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)O 3136791 HUCGEDSWWHKLTN-NSHDSACASA-N 279.292 1.213 0 50 CDAA CC1(C)CCCN[C@H]1CNS(=O)(=O)CC1CCCC1 252479336 BDEFGTXKYJATTH-ZDUSSCGKSA-N 288.457 1.874 0 50 CDAA Cc1nscc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O 262990347 OATFTSJYLWENGO-QXEWZRGKSA-N 280.349 1.777 0 50 CDAA O=C(O)[C@H]1COCCN1C[C@H]1CCOc2ccccc21 162043277 KSFZAPLEFOIPNS-DGCLKSJQSA-N 277.320 1.338 0 50 CDAA Nc1cccc(S(=O)(=O)N2CCC[C@@H](CO)CC2)c1 293987059 FEQOVKRGIGFFGM-LLVKDONJSA-N 284.381 1.052 0 50 CDAA Cn1ccnc1CN1CCCC[C@@H]1CN1CCOCC1 77469775 NHEHYFMPDGGDTD-CQSZACIVSA-N 278.400 1.107 0 50 CDAA O=C(NCC1(CO)COC1)c1sccc1Cl 332008775 JTMCTCQYYZREGO-UHFFFAOYSA-N 261.730 1.140 0 50 CDAA COc1cccc(C(=O)N[C@@H]2CCNC2(C)C)c1F 335640017 QQMOMAKNOMPFPS-LLVKDONJSA-N 266.316 1.705 0 50 CDAA COC[C@]1(C(=O)N(C)Cc2ccccc2F)CCCN1 643618140 DMYSWBIESUDNTA-HNNXBMFYSA-N 280.343 1.553 0 50 CDAA CCc1ccccc1S(=O)(=O)N1CCC[C@H]2CNC[C@H]21 334983339 HZVLPYBONYZMCL-UONOGXRCSA-N 294.420 1.622 0 50 CDAA Oc1nc2ccc(-c3noc(CC[C@@H]4CCNC4)n3)cc2[nH]1 843188265 UJPVVXPQMUKVNS-SECBINFHSA-N 299.334 1.861 0 50 CDAA CCCn1cncc1CN[C@@H](C[C@H]1CCCCO1)C(=O)O 2325770665 WKIIWAWDNQWXEJ-KGLIPLIRSA-N 295.383 1.795 0 50 CDAA N[C@H]1C[C@@H](C(=O)Nc2ccc3nc(O)n(C4CC4)c3c2)C1 2325801661 RDAYAVRCFXPRQE-DTORHVGOSA-N 286.335 1.753 0 50 CDAA Cc1c[nH]nc1Cn1cc(COc2cccc(O)c2)nn1 2325863459 KTZUOMUENVUNOL-UHFFFAOYSA-N 285.307 1.643 0 50 CDAA COc1cc(OC)c(C(=O)N2CCCC2)cc1OC 111252 RVHMNXLFCCVFDD-UHFFFAOYSA-N 265.309 1.948 0 50 CDAA O=C(NCc1ccc2c(c1)OCO2)c1cnccn1 418337 XVUGIZZILPWHQC-UHFFFAOYSA-N 257.249 1.135 0 50 CDAA COC(=O)c1sc(NC(=O)C2CC2)c(C(N)=O)c1C 433907 SGHVJJQRAYJAGS-UHFFFAOYSA-N 282.321 1.291 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CC(=O)n3cnnc3N2)cc1 543674 WTYJCTXJXCZKKO-SNVBAGLBSA-N 271.280 1.050 0 50 CDAA COC(=O)N[C@@H](OC(C)=O)C(Cl)(Cl)Cl 2141093 JCXYWAVNXVUHES-BYPYZUCNSA-N 264.492 1.602 0 50 CDAA O=C(O)C[C@H](C(=O)OC1CCCCC1)N1CCOCC1 2838101 HTERBQQXMHCFEY-GFCCVEGCSA-N 285.340 1.038 0 50 CDAA COc1ncccc1-c1ccc(-c2n[nH]c(=N)[nH]2)o1 2356142559 XMQCJSULDNPSNR-UHFFFAOYSA-N 257.253 1.548 0 50 CDAA CC(C)(CO)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 3602673 BWURCANZQUYPLR-SNVBAGLBSA-N 293.194 1.970 0 50 CDAA in-vitro COCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 4976908 ITFNZVLDBWHUOU-ZDUSSCGKSA-N 290.363 1.419 0 50 CDAA Cc1nc(N2CCOCC2)nc(O)c1CCC(C)C 8642574 CFDTWTFCMHTTNP-UHFFFAOYSA-N 265.357 1.916 0 50 CDAA Cc1ccc(OCCOCCN2CCOCC2)cc1 23549778 WGQSVLZNEARJOB-UHFFFAOYSA-N 265.353 1.723 0 50 CDAA CCCS(=O)(=O)NC(=O)[C@]1(C)COc2ccccc2O1 860556708 AEKUQJJLUFKBJG-ZDUSSCGKSA-N 299.348 1.073 0 50 CDAA CN[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F 107272480 ABMWQTWKPOPMIO-STQMWFEESA-N 266.316 1.955 0 50 CDAA COCCn1cncc1Cn1cc([C@@H]2CC=CCC2)nn1 67907974 QFBVDLIQUUPAJK-CYBMUJFWSA-N 287.367 1.993 0 50 CDAA CN(CCc1noc(C2CC2)n1)c1ncnc2[nH]ccc12 67920843 CMHQRXHJUXKVLY-UHFFFAOYSA-N 284.323 1.897 0 50 CDAA Nc1nccnc1C(=O)Nc1cccc(-c2cnn[nH]2)c1 346873456 DWVXZPCCSBTKBE-UHFFFAOYSA-N 281.279 1.096 0 50 CDAA C[C@H](Cn1cncn1)NCCN1CCc2ccccc2C1 67818952 LZEGMTYEKXABJB-CQSZACIVSA-N 285.395 1.315 0 50 CDAA CC(C)C[C@@H](NC(=O)c1ncc[nH]1)c1ncnn1C 67490539 LOPDPHGPPDHSBQ-SECBINFHSA-N 262.317 1.055 0 50 CDAA CC(=O)N1CC[C@H](CN(C)C(=O)C(F)=C(C)C)C1 125142785 CEWFBVLDLMEANT-LLVKDONJSA-N 256.321 1.577 0 50 CDAA CC(C)c1cc(C(=O)N(C)[C@@H]2CCCCNC2=O)no1 121626773 DAILIXWKCGPJFA-LLVKDONJSA-N 279.340 1.539 0 50 CDAA Cc1nc(C2CCNCC2)cc(N2C[C@@H]3CC[C@H](C2)N3)n1 67894852 WCOAFKKCXKNEEY-OKILXGFUSA-N 287.411 1.193 0 50 CDAA O=C(c1ccoc1)N1CCCO[C@@H](Cn2cccn2)C1 215578358 OQKOKFAHJUHANA-CYBMUJFWSA-N 275.308 1.407 0 50 CDAA CN1CC[C@@H]2CCN(C[C@@H](O)COC(C)(C)C)[C@H]2C1 253417073 LENXEFFBRGIKCU-MCIONIFRSA-N 270.417 1.188 0 50 CDAA N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1F 32915022 JREMPGXODKGFEJ-VXGBXAGGSA-N 252.289 1.694 0 50 CDAA CC(C)n1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)n1 253623472 VQOJIHYKJBBASV-BZUAXINKSA-N 293.411 1.826 0 50 CDAA Cc1cnn(CC(=O)N[C@@H]2CCCC[C@@H]2C(=N)O)c1 331151559 UISYPJSXJKAQBL-WDEREUQCSA-N 264.329 1.402 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2CC(=O)N2CCC2)c1 282142538 KQRJILLSXCMRML-DZGCQCFKSA-N 290.363 1.035 0 50 CDAA Cc1ccc(C)c(OCCNC(=O)c2cc(O)n[nH]2)c1 71751567 OATAMDMMEXURHO-UHFFFAOYSA-N 275.308 1.541 0 50 CDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)NC1CCC1 361458687 RWZSDHQDKUHBDU-UHFFFAOYSA-N 263.223 1.175 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2c2nc3ccccc3n2C)n1 282190592 KQPZWMKWGGTGLB-ZWNOBZJWSA-N 299.334 1.577 0 50 CDAA O=C(O)c1cc2ccc(Br)cc2c(=O)[nH]1 125327035 PAFDNMQXTOUWLX-UHFFFAOYSA-N 268.066 1.989 0 50 CDAA CC1(C(=O)O)CCN(C(=O)c2cc(Cl)c[nH]c2=O)CC1 216467360 RQOKRRJBRGLJBT-UHFFFAOYSA-N 298.726 1.355 0 50 CDAA O[C@H](COC1CCOCC1)CN1CCCc2occc2C1 377526228 SGGOKTZWJZEOGX-AWEZNQCLSA-N 295.379 1.584 0 50 CDAA O=C(CO)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 215523278 IDQYCOIYJFPJAO-UHFFFAOYSA-N 291.738 1.607 0 50 CDAA CN1CCN(c2cncc(Br)c2)CC1=O 157388627 PQBIRHPYXDNJGB-UHFFFAOYSA-N 270.130 1.123 0 50 CDAA Cc1nc(C)c(C)c(N2CC[C@H](n3cncn3)C2)n1 372475002 QCULJRGBEUMWFH-LBPRGKRZSA-N 258.329 1.445 0 50 CDAA C[C@H]1CN(CCN2CCC[C@@H](OCC3CC3)C2)CCO1 241588055 OZFZLHWJQWUCMG-GOEBONIOSA-N 282.428 1.598 0 50 CDAA NC(=O)CN1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 72123884 PQGZXXWEYKYXHY-SNVBAGLBSA-N 269.295 1.326 0 50 CDAA COc1ccc(C(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)c(O)c1 333795660 FERCGYDNVOYNNG-DDHJSBNISA-N 287.315 1.426 0 50 CDAA CC(=O)NC[C@H]1CN(Cc2ccc(F)cc2)CCO1 39172603 IYDYAXXGLUZOJN-AWEZNQCLSA-N 266.316 1.163 0 50 CDAA CCN1CCC[C@@H](N2CCC[C@@H](CCCO)C2)C1 32519451 IWFICYUSBZVCBY-LSDHHAIUSA-N 254.418 1.955 0 50 CDAA Cc1ccn(CC(=O)N[C@H]2CC(C)(C)OC2(C)C)n1 334660086 FRTYNFIEXLOBSD-NSHDSACASA-N 265.357 1.654 0 50 CDAA C[C@@H]1OCC[C@@H]1N[C@H]1CCCN(Cc2ccccc2)C1=O 245629520 ZPCLXIWDZKCOCF-BPUTZDHNSA-N 288.391 1.945 0 50 CDAA CN(Cc1ccc(OCC2CC2)cc1)[C@@H]1COC[C@H]1O 289901444 WUFSPGVFAMTJBU-HZPDHXFCSA-N 277.364 1.667 0 50 CDAA CC(C)[C@H](C(=O)Nc1cccc2c1OCC(=O)N2)N(C)C 290529425 HUHQYJJHRQVQPI-CYBMUJFWSA-N 291.351 1.542 0 50 CDAA CCN(C)[C@H](C(=O)N1CC[C@H](C(=O)O)C1)c1ccccc1 178259917 YSNBVXKNYADDAM-KBPBESRZSA-N 290.363 1.613 0 50 CDAA CC1(CNC(=O)c2cc(Cl)ccc2OCCN)COC1 426634087 CZNLPBORCANVTF-UHFFFAOYSA-N 298.770 1.444 0 50 CDAA CCc1noc2ncc(C(=O)N3CC[C@@H](CN)C3)cc12 178519331 KYWZUGLUWSIPNP-VIFPVBQESA-N 274.324 1.206 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)CN1Cc1csc2ccccc12 228619818 WJNNGPCWZMIVNQ-PWSUYJOCSA-N 277.345 1.921 0 50 CDAA Cn1ccnc1CNC(=O)N1CCC(F)(F)CC1 426573128 MEATVQVDWHNVKO-UHFFFAOYSA-N 258.272 1.361 0 50 CDAA C[C@@]12CCN(c3cn[nH]c(=O)c3Cl)C[C@@H]1C2(F)F 291848005 HEFNJHRVWYNZLI-OIBJUYFYSA-N 275.686 1.905 0 50 CDAA CCn1ncc(NC(=O)Cn2ccnc2-c2ccccc2)n1 48175342 GPLKMLNVIFHKGZ-UHFFFAOYSA-N 296.334 1.800 0 50 CDAA C[C@@H](NC(=O)c1cccnc1S)C1CCOCC1 161905686 KRNKHXMAEPMLRZ-SECBINFHSA-N 266.366 1.915 0 50 CDAA CCc1nccn1CCC(=O)N[C@H](C)Cc1cnccn1 223070144 BIRNIVFEQWHUNI-GFCCVEGCSA-N 287.367 1.373 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1Cl 222391186 HQUXMOHBNHVDON-KKOKHZNYSA-N 275.691 1.783 0 50 CDAA COCCC[C@H]1CCCCN1C(=O)c1cnccn1 82107018 CRPOAOFKYRPTPK-GFCCVEGCSA-N 263.341 1.898 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CSCN2)C[C@H](c2ccccc2)O1 237768392 KZMULAUPWRKCEQ-IACUBPJLSA-N 292.404 1.638 0 50 CDAA Cc1cc(CN(C)C(=O)[C@@H]2CCCCCN2C)no1 95354997 OOGWYFMSDFVJGU-ZDUSSCGKSA-N 265.357 1.816 0 50 CDAA COCC[C@]1(O)CCN(Cc2c(C)n[nH]c2C)C[C@H]1C 92096968 JAVAXBHMOMKBNH-IAQYHMDHSA-N 281.400 1.636 0 50 CDAA Cc1cc2ccccc2n1CCNC(=O)c1cnn[nH]1 97797557 ICQPIPQJVZLQRS-UHFFFAOYSA-N 269.308 1.498 0 50 CDAA CCc1oc(C(=O)N2CCC[C@H]2C(=O)O)cc1C 237076240 IFYAJZRDZVNIGT-VIFPVBQESA-N 251.282 1.840 0 50 CDAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1C1CCCCC1)[C@H]42)[C@H]3O 238899570 GRQDDABCUCEXTL-USERQSGBSA-N 291.391 1.909 0 50 CDAA C[C@@H]1CN(Cc2nnc(C3CC3)o2)CC[C@]1(C)O 91548586 BMXMSYZKATZEFW-RNCFNFMXSA-N 251.330 1.540 0 50 CDAA CC(C)CO[C@@H]1CCN(c2nccn3cnnc23)C1 268239668 CVYPCACAHWQHHW-LLVKDONJSA-N 261.329 1.376 0 50 CDAA COc1ncc(-c2nc([C@@H]3CCOC3)no2)nc1OC 96136265 BTOHKHMPQJDVEM-SSDOTTSWSA-N 278.268 1.048 0 50 CDAA O=c1cc(-c2cccc(CN3CCOCC3)c2)cc[nH]1 96154024 XCJRVQKJWFLIBG-UHFFFAOYSA-N 270.332 1.874 0 50 CDAA O=C(C[C@H]1COCCN1)N1CCC[C@@H]1c1ccccc1 97815496 QJBVKOUKYUFYLF-LSDHHAIUSA-N 274.364 1.729 0 50 CDAA CC[C@@H]1C(=O)NCCN1Cc1cccc(F)c1N 623015325 YRFSCVZJJKQGOA-LLVKDONJSA-N 251.305 1.118 0 50 CDAA COc1cccc(C(=O)N[C@@H](C)CC(C)(C)O)c1 297363583 ZCGSJFLBWHMJOQ-JTQLQIEISA-N 251.326 1.975 0 50 CDAA C[C@@H](C(=O)N1CCc2c([nH]c3ccccc23)C1)n1cnnn1 524734602 UTHBSLCUVWUWOH-JTQLQIEISA-N 296.334 1.300 0 50 CDAA CCCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 245227589 KDOOMMVINLZJMO-NNYUYHANSA-N 251.326 1.816 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N2CCO[C@H]3CCCC[C@H]32)O1 245967144 DXPUNUKAGYDOQH-FVCCEPFGSA-N 253.342 1.724 0 50 CDAA CC[C@H](N)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 299750481 NNPHBEYLGVZKEG-QLFBSQMISA-N 276.380 1.838 0 50 CDAA COC(=O)[C@@H]1[C@H]2C[C@@H]3C4C2C2C4[C@H](C[C@H]21)[C@H]3C(=O)OC 257358190 SCBCSFDSFNSKCV-GFTPIWCVSA-N 276.332 1.343 0 50 CDAA COc1ccnc(NCCCOC2CCN(C)CC2)n1 534589521 LFTOZBGAHBBPON-UHFFFAOYSA-N 280.372 1.398 0 50 CDAA COc1ccc(-c2cc(CNS(C)(=O)=O)no2)cc1 534585937 SVYHEGIXEYSEBZ-UHFFFAOYSA-N 282.321 1.399 0 50 CDAA CCCn1ccnc1CNC(=O)c1cncc(F)c1 534668482 FNKSVIMBXSSSJW-UHFFFAOYSA-N 262.288 1.757 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)CCc2cnccn2)[nH]1 534647880 WZBXMXXBPOCVQC-SNVBAGLBSA-N 259.313 1.318 0 50 CDAA Cc1cnn(C)c1CNc1cnc2c(c1)COCC2 367543937 HGRWPANFLZXBAS-UHFFFAOYSA-N 258.325 1.808 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1cccc(OC)c1 299770546 VHANTQOGRFPATN-STQMWFEESA-N 280.324 1.621 0 50 CDAA Cc1cc(C)n(CCN(C)CCCc2nccn2C)n1 299777881 PKKSWXZKQIKLIX-UHFFFAOYSA-N 275.400 1.798 0 50 CDAA O=C(NCCCN1CCC[C@@H](O)C1)c1ccc(F)c(O)c1 299785175 KEOFEBXBNFXABP-GFCCVEGCSA-N 296.342 1.108 0 50 CDAA CC(C)N(C)C(=O)CN(Cc1cocn1)Cc1cocn1 299759830 NOHINDPWEAXGMT-UHFFFAOYSA-N 292.339 1.532 0 50 CDAA Cc1cnc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3C)cn1 670470239 OOLJSCWVEFWSCJ-OCCSQVGLSA-N 274.368 1.228 0 50 CDAA C[C@H](NC(=O)c1ccc2nccn2c1)C1CCNCC1 868010678 VJMNVOABLFJCAU-NSHDSACASA-N 272.352 1.452 0 50 CDAA COc1cc(CN(C)c2nc(C)cc(OC)n2)sn1 1548524465 LZCXBLWLVZIJMA-UHFFFAOYSA-N 280.353 1.895 0 50 CDAA COCc1cn(CCc2nc(O)c3ccccc3n2)nn1 1875282226 SCKPYTAMVAPQNK-UHFFFAOYSA-N 285.307 1.316 0 50 CDAA Nc1ncncc1C(=O)NCC1(c2ccc(F)cc2)CC1 185424557 JLUWVUQVUPEPGZ-UHFFFAOYSA-N 286.310 1.660 0 50 CDAA O=S(=O)(NCc1ccncc1)c1cccc(F)c1 4414304 BAONDYNMXAVQAP-UHFFFAOYSA-N 266.297 1.699 0 50 CDAA COC[C@@H](O)CN=c1[nH]c(Cl)cc2ccccc12 1875337674 ZATWOZZFRITBKX-JTQLQIEISA-N 266.728 1.729 0 50 CDAA CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N(C)[C@H](C)C1CC1 952879536 JMWZVKXXRNZKPD-ADEWGFFLSA-N 289.397 1.246 0 50 CDAA COC(C)(C)CNC[C@](C)(O)C(=O)OC(C)(C)C 952995736 XGIYNPGJSVGZCQ-ZDUSSCGKSA-N 261.362 1.094 0 50 CDAA COc1nscc1Cn1nc(C(F)(F)F)ccc1=O 1458999097 ROCCSPRPLCGSMK-UHFFFAOYSA-N 291.254 1.776 0 50 CDAA COCCC(=O)Nc1cccc(-c2nncn2C)c1C 952971998 DYPRKEZRJYVAAO-UHFFFAOYSA-N 274.324 1.766 0 50 CDAA CC1(C(=O)NCC2CCN(c3nccc(N)n3)CC2)CC1 952982068 LBZIAGBRBBXWMK-UHFFFAOYSA-N 289.383 1.192 0 50 CDAA OC[C@H]1CCCN(CCNc2ncnc3ccccc23)C1 952986003 VUMXLDWQAVODHT-ZDUSSCGKSA-N 286.379 1.746 0 50 CDAA COc1nc(C)cc(N2CCC[C@H]2c2ccc(N)nn2)n1 886085746 NHRWEPKZCWIXCC-NSHDSACASA-N 286.339 1.507 0 50 CDAA O=C(N[C@H]1CC[C@H](OC(F)F)C1)c1ccn2nnnc2c1 888093017 XZYIILMBKKYZAN-IUCAKERBSA-N 297.265 1.014 0 50 CDAA C[C@H](N1CCN([C@@H]2CCCC[C@H]2O)CC1)C(F)(F)F 245595153 HEFQBLKYQXOKIC-QJPTWQEYSA-N 280.334 1.858 0 50 CDAA Cc1cc(NC(=O)c2ccnn2CC(F)(F)F)no1 1775288145 WBUJMZAZVYMKOE-UHFFFAOYSA-N 274.202 1.994 0 50 CDAA CC(C)(C)OC(=O)NC1([C@@H]2CC[C@@H](C(=O)O)NC2)CCC1 1775955431 SGYGFFILQSPOLZ-MNOVXSKESA-N 298.383 1.887 0 50 CDAA O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)OCC2 1775998292 VFNIZGSAUQMVNO-LBPRGKRZSA-N 274.320 1.020 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)Cc1csnc1OC 1520765153 YUETYLKELPNLST-UHFFFAOYSA-N 297.380 1.145 0 50 CDAA COc1ccc(O[C@@H](C)C(=O)N2CCN(C)CC2)cc1 19877152 SOEXULQZCXKZQS-LBPRGKRZSA-N 278.352 1.237 0 50 CDAA Cc1occc1CNC(=O)[C@@H]1CC[C@@H](C(=O)O)N1C1CC1 630653824 FHJPUHKTZWNPMX-STQMWFEESA-N 292.335 1.284 0 50 CDAA O=C1CCCN1[C@H]1CCN(c2ncnc3[nH]ccc23)C1 276690053 HBHMMXRAEZYSIY-JTQLQIEISA-N 271.324 1.159 0 50 CDAA Cn1nnc2cc(C(=O)N[C@@H]3CCC[C@@H]3CCO)ccc21 170085803 XFHMRSDDPSPUHQ-ZYHUDNBSSA-N 288.351 1.249 0 50 CDAA COC(=O)CNC(=O)[C@@H](C)c1ccc(Cl)s1 170653907 CWDVJWJTTKDYRU-LURJTMIESA-N 261.730 1.794 0 50 CDAA Cc1ccc(CN)cc1-c1cnc(N2CCC[C@H](O)C2)nc1 634576096 IIMOVXXFDQBMGT-HNNXBMFYSA-N 298.390 1.872 0 50 CDAA C[C@@H](CNCC1(C(N)=O)CCOCC1)c1ccccc1 194204805 RDOPRXDDJUGELO-ZDUSSCGKSA-N 276.380 1.662 0 50 CDAA Cc1noc(C)c1C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 659201633 PTPPHDJMCCRZJV-UHFFFAOYSA-N 292.295 1.560 0 50 CDAA COc1ccc(-c2ccnc(N[C@@H]3CC(=O)N(C)C3)n2)cc1 571851723 FZYOVVDRTPPRJN-GFCCVEGCSA-N 298.346 1.795 0 50 CDAA COc1ccc2ncc(C(=O)N3CCCCCC3)n2n1 665058986 IXTOBPKPXKCVEB-UHFFFAOYSA-N 274.324 1.754 0 50 CDAA CCc1nsc(N2CCC(N3CCOC[C@@H]3C)CC2)n1 585092135 GJYDOKFJWDVISN-NSHDSACASA-N 296.440 1.790 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2C[C@@H](O)C2)cc1 585114546 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CKZSDWYUTIGIPU-ZJUUUORDSA-N 267.350 1.524 0 50 CDAA O=C1C[C@H](NCc2ccncc2)C(=O)N1c1ccc(F)cc1 19782507 LVYNCMDCAFHJJE-AWEZNQCLSA-N 299.305 1.642 0 50 CDAA COc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)O)ccn1 169725183 LEMGJNGCQDKTFZ-JTQLQIEISA-N 282.296 1.741 0 50 CDAA CO[C@@H]1C[C@@H](C(=O)N2Cc3cnc(C)cc3C2)CC[C@H]1N 1857729739 FZZZZFDFTMTIMX-NILFDRSVSA-N 289.379 1.375 0 50 CDAA Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H](O)C1CCOCC1 677894532 YBTMQSSZEQZGSD-GFCCVEGCSA-N 295.383 1.359 0 50 CDAA Cc1c[nH]c(-c2ccc([C@H]3CNC(=O)C3)cc2)nc1=N 1875243948 FRPKEMZXSTXHOE-GFCCVEGCSA-N 268.320 1.468 0 50 CDAA CC(C)(C)c1nnc2ccc(N3C[C@@H](F)C[C@H]3CO)nn12 408034426 SZMWSSRMPBEIGO-UWVGGRQHSA-N 293.346 1.331 0 50 CDAA CS(=O)(=O)CC(=O)N1CCC[C@@H]1CC1CCCCC1 408049441 ZRDGSQLSWKIRJQ-CYBMUJFWSA-N 287.425 1.992 0 50 CDAA O=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 4502692 QJNPEJZMSXAKQD-ZDUSSCGKSA-N 263.293 1.173 0 50 CDAA in-vitro CC(C)c1nccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)n1 528216624 PDGDQSBDDONMLX-NEPJUHHUSA-N 295.408 1.756 0 50 CDAA Cc1cc(C(=O)N[C@@H](C(=O)O)c2cc(F)ccc2F)n[nH]1 738325769 AUJGYRNBNZDRHA-LLVKDONJSA-N 295.245 1.552 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@@H](N)C[C@H]1C 237033506 GIRDVVNCGLQDLK-TZMCWYRMSA-N 276.380 1.966 0 50 CDAA Cc1n[nH]cc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 334482352 WPVUZQICFLXSCP-JSGCOSHPSA-N 289.310 1.805 0 50 CDAA Cc1ccnc(CNC(=O)NC[C@@]2(C)CCCO2)c1 454643977 PGPMDYNFXIUPFI-CQSZACIVSA-N 263.341 1.758 0 50 CDAA O=C(O)Cn1ccc(NC(=O)c2ccnc(C3CC3)c2)n1 663145171 OFZDYROJPWKUGN-UHFFFAOYSA-N 286.291 1.492 0 50 CDAA CCN(C(=O)Cc1ccc2c(c1)CCCO2)[C@H](C)C(=O)O 663123812 FRQJSWSWHGLJRG-LLVKDONJSA-N 291.347 1.876 0 50 CDAA CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O 16697882 WCTXJAXKORIYNA-VIFPVBQESA-N 271.313 1.376 0 50 CDAA in-vitro O=C1NCCOc2cc(Br)cc(F)c21 585661309 FQRXWSROGSKCGD-UHFFFAOYSA-N 260.062 1.710 0 50 CDAA C=CC(=O)NCc1ccc(C(=O)N[C@H]2CCSC2)cc1 266502208 SMBVOMSYNQOIHU-ZDUSSCGKSA-N 290.388 1.724 0 50 CDAA Cc1nccc(NCc2cc(O[C@H]3CCNC3)ccn2)n1 818627475 AHBREJROLUHVNB-AWEZNQCLSA-N 285.351 1.533 0 50 CDAA COc1cc(CN2CC[C@@H](n3cc(C4CC4)nn3)C2)on1 824856678 BRIOZLPGMNVFSV-LLVKDONJSA-N 289.339 1.599 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C)c1cc(C)ccc1OC 858164575 VHNOCFGFUVUIDL-GFCCVEGCSA-N 290.363 1.825 0 50 CDAA Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)no1 101782365 VWKLZYXQRUKODN-QSFUFRPTSA-N 276.292 1.835 0 50 CDAA O=C(N[C@@]1(C(=O)O)CCSC1)c1ccc2[nH]ccc2c1 111288195 MVZRCZIIJCJVCQ-AWEZNQCLSA-N 290.344 1.858 0 50 CDAA C[C@H]1C[C@@H](N(C)C(=O)CCC2CCNCC2)CCN1C 237527764 MHGPYHKZSMLRJJ-ZFWWWQNUSA-N 281.444 1.707 0 50 CDAA O=C([C@@H]1C[C@@H](O)CN1)N1CCCC2(CCCCC2)C1 238010695 FAZAPVVUNJNQOR-OLZOCXBDSA-N 266.385 1.282 0 50 CDAA Nc1nc(CNC(=O)CCc2ccncc2)cs1 828029640 HXZYGUZRPVMLSQ-UHFFFAOYSA-N 262.338 1.369 0 50 CDAA O=C(N1CC[C@@]2(C(=O)O)CCC[C@@H]12)C1(CF)CCC1 1352121444 OZXGOXFBXLRKCC-YGRLFVJLSA-N 269.316 1.982 0 50 CDAA Cc1ncsc1CCN(C)c1ncc2c(ncn2C)n1 2100537621 SBRBTQQGKOHMCI-UHFFFAOYSA-N 288.380 1.807 0 50 CDAA O=C(Cc1cccs1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O 2325778142 CJQHTLSXJKMSLP-CNVPUSNMSA-N 279.361 1.906 0 50 CDAA CO[C@H]1CC[C@@H]1CC(=O)NCc1nnc2ccccn12 2325802455 IJWSFMGLEZBBKB-MNOVXSKESA-N 274.324 1.161 0 50 CDAA CCCn1cc([C@H](C)NCc2cccc(C(N)=O)c2)nn1 902732514 FTRKPDYLVAIHJQ-NSHDSACASA-N 287.367 1.638 0 50 CDAA COc1cc([C@H]2NC(=O)CS2)cc(OC)c1OC 193217 SRXJNBCCQFXHQD-LBPRGKRZSA-N 269.322 1.574 0 50 CDAA COc1cccc(OCC(=O)NCc2ccncc2)c1 195368 KVZFWHRQQRHHMW-UHFFFAOYSA-N 272.304 1.785 0 50 CDAA COc1cc(CN2CCSCC2)cc(OC)c1O 200332 JCPMUFCHCKWLHL-UHFFFAOYSA-N 269.366 1.958 0 50 CDAA CNC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccs1 307027 JDZJQUPHUUCNFN-SECBINFHSA-N 251.311 1.122 0 50 CDAA C[C@H]1CCCCN1C(=O)CN1C(=O)c2ccccc2C1=O 372673 KSVPKJBPHBACRI-NSHDSACASA-N 286.331 1.684 0 50 CDAA COC[C@@H](C)NC(=O)c1cccc(OC)c1OC 1456053 WYZFUQMJOWZVHP-SECBINFHSA-N 253.298 1.469 0 50 CDAA O=C1NCCC[C@]12CCCN2Cc1nc2ncccc2o1 2356165089 SRDYBTOTWXBRDG-HNNXBMFYSA-N 286.335 1.467 0 50 CDAA CCC[C@@]1(CO)CN(Cc2cccc(C)n2)CC[C@@H]1O 2356167749 ATTWVIRURVZKTK-HOTGVXAUSA-N 278.396 1.735 0 50 CDAA Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 4041267 KUFKGDZHWPMXNX-BRXULGCHSA-N 285.299 1.366 0 50 CDAA biogenic Cc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1C 4673378 HBGWRLRQVFWJHX-UHFFFAOYSA-N 257.311 1.154 0 50 CDAA Cc1nn(C)c(Cl)c1CNCC1(O)CCCC1 111385508 CGWNREXKQJUEAU-UHFFFAOYSA-N 257.765 1.777 0 50 CDAA NCc1ccc(CS(=O)(=O)N2CCCCC2)cc1 20022290 OYXKNMUWTZQUCG-UHFFFAOYSA-N 268.382 1.461 0 50 CDAA CS(=O)(=O)CC(=O)N[C@H]1C[C@H]1C1CCCCC1 345492047 LKBQERHZKRWZNA-QWRGUYRKSA-N 259.371 1.116 0 50 CDAA CC1=NO[C@](C)(CNC(=O)c2cc(CC(C)C)nn2C)C1 65372671 BSZYCTSWHVXSAR-HNNXBMFYSA-N 292.383 1.903 0 50 CDAA CS(=O)(=O)N(CCCC(=O)O)c1cccc(Cl)c1 113875046 HEHUFYGNCAXPPP-UHFFFAOYSA-N 291.756 1.971 0 50 CDAA CC(=O)N(C)[C@@H]1CCN(C2CCC3(CCNCC3)CC2)C1 67964886 NLYCVHDUVNOERV-MRXNPFEDSA-N 293.455 1.851 0 50 CDAA CN(C)CCN(C)C(=O)c1ccc2sc(N)nc2c1 20206898 BXQFZOUWBKBSSQ-UHFFFAOYSA-N 278.381 1.512 0 50 CDAA Cc1ccn2c(NC(=O)c3cc(C4CC4)no3)nnc2n1 1506411425 YLZFCLUMFUREFM-UHFFFAOYSA-N 284.279 1.550 0 50 CDAA Cn1nc(C(=O)N2CCCC[C@H]2CCN)c2ccccc21 231913446 URIQCNQPHDKKEJ-LBPRGKRZSA-N 286.379 1.917 0 50 CDAA COc1ccc(-n2cccn2)c([C@@H]2NCCc3[nH]cnc32)c1 65534464 QBCIUCANEFOKCX-HNNXBMFYSA-N 295.346 1.839 0 50 CDAA O=C(NC1CC1)c1ccc(OC[C@H]2CCCN2)cc1 66323515 OASWAUFWLHENJR-CYBMUJFWSA-N 260.337 1.710 0 50 CDAA Cc1nccc(CCC(=O)N[C@H]2C[C@@H]2C(F)F)n1 354574248 VDEXRWMIXTUCNI-UWVGGRQHSA-N 255.268 1.487 0 50 CDAA CCOC[C@H](C)NC[C@@H]1CCO[C@H]1c1ccnn1C 328654673 XPNPGIYSRLJPPX-SGMGOOAPSA-N 267.373 1.512 0 50 CDAA CN(CC1CC1)C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1 328642422 QZYZCXDILAFWIF-ZBFHGGJFSA-N 292.423 1.912 0 50 CDAA O=C(c1onc2ccccc12)N1CC[C@H]2CC[C@@H](C1)N2 65419409 OCPCZHJKIFNCGV-MNOVXSKESA-N 271.320 1.794 0 50 CDAA CC(C)(C)OC(=O)N1CC2(C1)OCC[C@H]2CCN 306136785 QDFYBBOCEAHFOU-SNVBAGLBSA-N 256.346 1.361 0 50 CDAA C[C@H](NCC1(O)CCCCC1)C(=O)NC1CCCC1 65396479 PDLKFNXGGAGPKL-LBPRGKRZSA-N 268.401 1.719 0 50 CDAA C[C@@]12CCN(C(=O)C3(S(C)(=O)=O)CC3)C[C@@H]1C2(F)F 329089262 IKSAVRSEHKOEBY-WCBMZHEXSA-N 293.335 1.067 0 50 CDAA CCOC(=O)c1cnc(SC)nc1N1CCCC1 1398549 LNUSGTPPYJZAHC-UHFFFAOYSA-N 267.354 1.975 0 50 CDAA O=C(NCc1ccnc2ccnn12)[C@@H]1CCCc2nccn21 355691650 UYZAPSVHANUYBN-LBPRGKRZSA-N 296.334 1.120 0 50 CDAA C[C@@H]1CCCCN1C(=O)CN1CCC(c2cn[nH]c2)CC1 364096340 QEUWPEWWKTWLPP-CYBMUJFWSA-N 290.411 1.990 0 50 CDAA COc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1C 258683197 LBPVYOABHKVSNN-QWRGUYRKSA-N 263.293 1.341 0 50 CDAA CC1(C)[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1O 333188810 NPDWBZSXWCPOSL-QNWHQSFQSA-N 260.337 1.461 0 50 CDAA CN(C[C@H]1CCCO1)C(=O)CCc1ccc(C(=O)O)cc1 237239474 YUSCGIJFOHZNGO-CQSZACIVSA-N 291.347 1.955 0 50 CDAA CC[C@H]1CN(CCCO)CCC(=O)N1Cc1ccccc1 71754337 VONASJXIEIJQKQ-INIZCTEOSA-N 290.407 1.882 0 50 CDAA Cc1cc(N2CCC(O)(C(=O)O)CC2)nc2ccccc12 71763098 NLWVPTBQLQYQPP-UHFFFAOYSA-N 286.331 1.959 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cc(C)nc3c2cnn3C)C1 133164383 FPPVWIZJGUZUPL-NSHDSACASA-N 287.367 1.101 0 50 CDAA CCn1c(C(=O)N2CC(=O)N[C@H](C)C2)cc2ccccc21 334525713 LTRSVUGRFZSYFH-LLVKDONJSA-N 285.347 1.622 0 50 CDAA Cc1ccc(NC(=O)CN2C[C@H](C)CS2(=O)=O)c(C)c1 334965139 QRDNKFMHNLGJPK-NSHDSACASA-N 296.392 1.523 0 50 CDAA CC(=O)[C@H]1[C@H](c2ccccc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 34772757 OZRZBGMRHUJCAZ-NCOADZHNSA-N 288.343 1.904 0 50 CDAA O=C(Cc1ccsc1)NCCCn1ccnn1 182898410 CDXVHNJZJDOGRB-UHFFFAOYSA-N 250.327 1.089 0 50 CDAA Cc1ccc2nc(CN3CC[C@H](CO)[C@@H](O)C3)[nH]c2c1C 72133821 KEICYHRBBLYMRA-OCCSQVGLSA-N 289.379 1.355 0 50 CDAA CN1CCN(C(=O)CSc2ncc(C(C)(C)C)o2)CC1 130225362 KLZCAABZBDYYGG-UHFFFAOYSA-N 297.424 1.838 0 50 CDAA CNC(=O)[C@@H](Nc1ccnc2c1cnn2C)C(C)C 342786316 VPCRDWSSRWEHLL-NSHDSACASA-N 261.329 1.151 0 50 CDAA Nc1ncccc1CNC(=O)c1ccn(C(F)F)n1 219909392 DNQZZXCMMMPUSF-UHFFFAOYSA-N 267.239 1.185 0 50 CDAA CCc1csc(CCNC(=O)c2cnc(C)cn2)n1 219375894 DKUUCHXATNZHRT-UHFFFAOYSA-N 276.365 1.776 0 50 CDAA c1ccc2c(c1)CCN(c1ncnc3c1CCNCC3)C2 72473492 VZECUDCAGOJOTM-UHFFFAOYSA-N 280.375 1.728 0 50 CDAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCOC1 49341790 KJRNRQIWGYSAEB-LLVKDONJSA-N 257.293 1.847 0 50 CDAA CO[C@@H](C)CNS(=O)(=O)c1c(Cl)ccc(F)c1F 287328792 KSUNZWLAWASIKI-LURJTMIESA-N 299.726 1.931 0 50 CDAA O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccnn1CCO 426575190 ZAPYHHBDMOBIRF-QWHCGFSZSA-N 271.320 1.161 0 50 CDAA Cc1nn(CCC(N)=O)c(C)c1-c1ccccc1CO 426491416 KAZWFTWYEQHUDJ-UHFFFAOYSA-N 273.336 1.535 0 50 CDAA CCOc1ccc(C(=O)N2CC[C@@H](CNC)C2)cc1OC 178986111 UKAMCOGCLALGBK-LBPRGKRZSA-N 292.379 1.775 0 50 CDAA Cc1[nH]nc(C(=O)N2CCCC[C@@H]2C(=O)O)c1Cl 426562834 FWIOHHSKZSZIJT-SSDOTTSWSA-N 271.704 1.451 0 50 CDAA CCN(CC)CCn1c(=O)c2ccccc2n(CC)c1=O 140154695 FLDFDBYMTYWTTJ-UHFFFAOYSA-N 289.379 1.525 0 50 CDAA O=C(NC1CCCC1)N1CCC2(CC1)OCCC[C@H]2O 91548236 CMUDLSZPBLDFOY-CYBMUJFWSA-N 282.384 1.645 0 50 CDAA Cc1nc2cc(CNC(=O)CCC(=O)O)ccc2n1C 98162328 UEZGPKPKMSQINW-UHFFFAOYSA-N 275.308 1.363 0 50 CDAA CCCc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)[nH]n1 95390475 OGKHWKIOJFQZFK-SNVBAGLBSA-N 253.302 1.201 0 50 CDAA Cc1[nH]c(=O)c(C(=O)N[C@H]2CCSC2)c(C)c1Cl 97602297 ITOKATVEPSHOFO-QMMMGPOBSA-N 286.784 1.880 0 50 CDAA Cc1cccc(OCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1C 426383787 JLUMUCQYXZTEOJ-JYAVWHMHSA-N 289.331 1.471 0 50 CDAA COc1cc(CN2CCOCC2)c(NC(C)=O)cc1OC 96027770 WACVAKKRPLNHKU-UHFFFAOYSA-N 294.351 1.494 0 50 CDAA O=C(Cn1cccnc1=O)N1CCCC[C@@H]1c1cccnc1 97436820 BTAQJTAZMRXNHX-CQSZACIVSA-N 298.346 1.392 0 50 CDAA C[C@H]1CN(C(=O)C2CCNCC2)c2ccc(F)cc2O1 237720361 MHCJZFWKKWNJHQ-JTQLQIEISA-N 278.327 1.939 0 50 CDAA O=C(Nc1cn2nc(Cl)ccc2n1)C(F)(F)F 95707379 QIQOLQVNKVXLHR-UHFFFAOYSA-N 264.594 1.884 0 50 CDAA N[C@H]1CN(C(=O)COCc2ccccc2)C[C@@H]1C1CC1 91435210 SVWCWICWUCWFRE-CABCVRRESA-N 274.364 1.399 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 239328970 JXNRULRHASYXOD-YXMPFFBPSA-N 255.273 1.520 0 50 CDAA CCc1nccn1CCN1CCC[C@@H](NC(C)=O)C1 244695651 JPVMULNGNBTVJK-CYBMUJFWSA-N 264.373 1.046 0 50 CDAA CN1CCC(n2cc(I)cn2)CC1 606297669 KJGWWGZFUGRXJF-UHFFFAOYSA-N 291.136 1.754 0 50 CDAA N=c1[nH]cc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)s1 534636986 IRMJCYAOOUAFPA-JTQLQIEISA-N 294.424 1.550 0 50 CDAA Cc1c(CN)cccc1-c1cnc(N2CCC[C@H](O)C2)nc1 629758706 CBOFOQNGQJBPJM-HNNXBMFYSA-N 298.390 1.872 0 50 CDAA Cc1cn2cccc(C(=O)NCC[C@H]3CCCN3C)c2n1 299780810 CTTCISCEPMOBGE-CYBMUJFWSA-N 286.379 1.857 0 50 CDAA CN1N=C(c2ncnn2Cc2ccc(F)cc2)CCC1=O 823807249 DVGWEIWPDUUEMX-UHFFFAOYSA-N 287.298 1.422 0 50 CDAA COc1ncc(CN2CC[C@H](n3nc(C)cc3C)C2)cn1 824851816 JLEPCWKLZOWIIY-AWEZNQCLSA-N 287.367 1.746 0 50 CDAA C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(=O)O)c1ccccc1 585134801 KLRGRABDWPTRQQ-GXFFZTMASA-N 287.319 1.530 0 50 CDAA CSC[C@@H]1CCCN(C(=O)c2cncnc2O)C1 584903964 WSSFPNNPADGVJB-SECBINFHSA-N 267.354 1.397 0 50 CDAA COc1ccc2ncn(CCN3CCCC3=O)c(=O)c2c1 584884472 UFDHPTGDPKDNBA-UHFFFAOYSA-N 287.319 1.028 0 50 CDAA CN1CCC[C@H]1CNC(=O)CN1CCCCCCC1 584896040 BVSBFICSFPGGOV-AWEZNQCLSA-N 267.417 1.463 0 50 CDAA NCCc1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 584885847 RWTDAKCNWBLAIL-AWEZNQCLSA-N 284.363 1.198 0 50 CDAA COCCN1CC[C@@H](CN(C)Cc2cnc(N)s2)C1 670466650 VTRXNYZEMBHRGK-NSHDSACASA-N 284.429 1.125 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1cccnc1 670454103 JEJTYAJQTCTAPM-WDNDVIMCSA-N 260.337 1.793 0 50 CDAA Cn1ccnc1CN1CCC(Cc2cc[nH]n2)CC1 1875274962 HEAPGIYHHXSXSM-UHFFFAOYSA-N 259.357 1.598 0 50 CDAA C=CC(=O)N[C@]1(CO)CCCN(Cc2ccccc2)C1 1875368524 YJEYYOKRVDPTCI-MRXNPFEDSA-N 274.364 1.316 0 50 CDAA C=CC(=O)N[C@H]1CCCN(C(=O)CCC(F)(F)F)C1 1875379386 SNMCXKZQMAHERE-VIFPVBQESA-N 278.274 1.622 0 50 CDAA N[C@@H](CNC(=O)CCC12CC(CN1)C2)c1ccc(F)cc1 1875307385 DMDWFXDYGDZBCO-WMEQCIOUSA-N 291.370 1.474 0 50 CDAA O=C(c1cc2ccc(O)cc2[nH]1)N1CCOC(F)(F)C1 1875301769 TZSQXHSHTOCBBS-UHFFFAOYSA-N 282.246 1.939 0 50 CDAA CO[C@H]1C[C@H](NC(=O)/C=C/CN2CCCC2)C12CCC2 1875338502 ZPENKUMVANXGLG-HHAVJRIZSA-N 278.396 1.712 0 50 CDAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)[C@H]1CCc2cccnc21 1875312834 CAJWPZPDILEMSX-ZVXAKGHKSA-N 272.304 1.091 0 50 CDAA CCOC(=O)c1cn(C)cc1NC(=O)Cc1nonc1C 952995549 PSZWBAGRKDPSOE-UHFFFAOYSA-N 292.295 1.074 0 50 CDAA Cc1ncn(CCNCC(C)(C)CN2CCOCC2)c1C 952986443 FSCZGVWMBJKFHW-UHFFFAOYSA-N 294.443 1.448 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@](O)([C@H](N)C2CCC2)C1 958528661 YMVHQUHSTJPBGY-IUODEOHRSA-N 284.400 1.876 0 50 CDAA C[C@@H](O)c1nc2ccc(NC(=O)CCCC(=O)O)cc2[nH]1 952983132 ZWRKFGIBKZFIQP-MRVPVSSYSA-N 291.307 1.810 0 50 CDAA C[C@H](CC1CC1)NCc1cn(C2CC2)c(=O)nc1O 883296352 LACJFOBPIFUUMQ-SECBINFHSA-N 263.341 1.562 0 50 CDAA CCc1nc(C)c(CN(C)CCN2CCOCC2)[nH]1 1203235734 YHLAITUMJCPSJL-UHFFFAOYSA-N 266.389 1.045 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)c1ncccc1F 887537719 JNAILAGDFIGPKZ-UHFFFAOYSA-N 264.300 1.646 0 50 CDAA CO[C@@H]1CCN(c2cc(Cl)c3cnn(C)c3n2)C1 892809180 JWFPNGJMQZWUQJ-MRVPVSSYSA-N 266.732 1.847 0 50 CDAA COc1c(CNCCc2ccccn2)c(C)nn1C 134087378 TYIZXHLZRMEJHN-UHFFFAOYSA-N 260.341 1.464 0 50 CDAA O=C(NCc1nccc2c1CCCC2)[C@]12CC[C@H]1CNC2 1775621413 QYTVCCFEXQQRNE-GUYCJALGSA-N 285.391 1.576 0 50 CDAA CCn1cc(CN2C[C@H](C(C)C)[C@@H](NC(C)=O)C2)cn1 1565530141 INHBYKSGVOPMGW-CABCVRRESA-N 278.400 1.496 0 50 CDAA C[C@H]1CN(C(=O)CCc2ccc(F)cc2)CCN1 214586723 WCAPMDMPAPFNIK-NSHDSACASA-N 250.317 1.579 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1C(=O)NCCc1ccnn1C 408474288 OGPAUBDAHJFRPG-KGLIPLIRSA-N 279.384 1.530 0 50 CDAA O=C(O)C[C@@H]1CCCCN1C(=O)CCn1cccc1 679396362 HRSONTJVABSEPI-LBPRGKRZSA-N 264.325 1.734 0 50 CDAA Cc1ccc([C@H](O)CNC(=O)Cc2c(C)n[nH]c2C)cc1 186929174 PSGJKYHJBHYTNH-OAHLLOKOSA-N 287.363 1.727 0 50 CDAA CC[C@@H]1CN(C(=O)c2cnc(S)[nH]2)CCS1 170600273 PRNBOASWCQTERW-SSDOTTSWSA-N 257.384 1.666 0 50 CDAA O=C(NC[C@@H]1CN2CCN1CC2)c1csc(Cl)c1 189524187 PQOMGGMTZJCHFS-SNVBAGLBSA-N 285.800 1.131 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCCSCC1 557575963 QVQRZVMNKLPEDK-UHFFFAOYSA-N 279.365 1.639 0 50 CDAA CN(CCn1cccn1)[C@H](C(=O)O)c1ccccc1F 652412683 OSXFYQFJWVTFCV-ZDUSSCGKSA-N 277.299 1.780 0 50 CDAA COCc1csc(C(=O)N2CCC(C(=O)O)CC2)c1 656491540 OALCTDQNIMCMKI-UHFFFAOYSA-N 283.349 1.831 0 50 CDAA C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCc2ccccc2C1 572044226 AHMBXOAROVYICH-SMDDNHRTSA-N 295.404 1.341 0 50 CDAA Cc1ccccc1CS(=O)(=O)N(C)Cc1cnc[nH]1 577389098 RESCRLBIUYDRDK-UHFFFAOYSA-N 279.365 1.680 0 50 CDAA O=C(NCCc1cn[nH]c1)[C@@H]1COc2ccccc2C1 91321759 BNZIPQSCMYKDCH-ZDUSSCGKSA-N 271.320 1.320 0 50 CDAA CCc1nccn1C[C@@H](C)N[C@H]1CC[C@H](O)CC1 1506396901 ONUSJHJZNLICPZ-JHJVBQTASA-N 251.374 1.727 0 50 CDAA O[C@H]1CN(c2ccnc3ccccc23)C[C@@H]1N1CCOCC1 1506406602 LYUODQQMGGJVAR-IRXDYDNUSA-N 299.374 1.117 0 50 CDAA Clc1ncc(Br)c(N2CCOCC2)n1 2203945 QSJHIFOKLBHDEH-UHFFFAOYSA-N 278.537 1.729 0 50 CDAA in-vitro Cc1cc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)no1 235676958 VVYCMSBZZVVIFJ-ONGXEEELSA-N 251.330 1.330 0 50 CDAA C[C@H]1CN(CCC2CCN(CC(=O)O)CC2)C[C@@H](C)O1 237663792 MIVAKOLWTFMLIL-BETUJISGSA-N 284.400 1.282 0 50 CDAA COc1ccc(F)cc1CN(CCO)Cc1[nH]cnc1C 1704303408 IMFLJKPBLPKDTJ-UHFFFAOYSA-N 293.342 1.860 0 50 CDAA O=C(O)C[C@H]1CC2(CCC2)CN1C(=O)c1cnsn1 1857532747 OTCAEEPPTLVVGI-QMMMGPOBSA-N 281.337 1.398 0 50 CDAA COCCn1nc([C@@H](C)O)nc1-c1cnc(C)cc1C 1857676373 RQJYGYWVHMMYRA-LLVKDONJSA-N 276.340 1.657 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1ccsc1 1857694813 JJVTZVZCCDPOBX-NXEZZACHSA-N 250.323 1.298 0 50 CDAA CNC(=O)c1cccc(NC(=O)C(C)(C)CN(C)C)c1C 1615586629 QEKRQWUGZZSCGN-UHFFFAOYSA-N 291.395 1.881 0 50 CDAA CC(C)c1nsc(NCc2cc(=O)c(O)co2)n1 1616035767 GEEQWUYRTBTUSV-UHFFFAOYSA-N 267.310 1.932 0 50 CDAA CC[C@@]12C[C@@H]1CN(c1ccc(S(C)(=O)=O)cn1)C2 1772810169 JWIDOGXDANERKE-MFKMUULPSA-N 266.366 1.721 0 50 CDAA COc1ccc(/C=C/CN2CCC([C@H](O)CO)CC2)cc1 1772813789 UDTMNNFYWJFAKF-RCAFFNEUSA-N 291.391 1.774 0 50 CDAA COC[C@@H](Nc1ncc(F)c(OC)n1)c1ccnn1C 1772705724 WCBUHHWINKYCGR-SECBINFHSA-N 281.291 1.157 0 50 CDAA COc1nc(N2CCC[C@H](c3n[nH]c(C)n3)C2)ncc1F 1772711829 GETMIMZMGCDAHY-VIFPVBQESA-N 292.318 1.435 0 50 CDAA Cc1ccnc(NC(=O)c2ccccc2-n2cnnn2)c1 12325146 NSDPCEUVFXFTDL-UHFFFAOYSA-N 280.291 1.618 0 50 CDAA O=C(C1CCCC1)N1CCN(c2ccccn2)CC1 13021040 CYCOUWNMGZLCBO-UHFFFAOYSA-N 259.353 1.920 0 50 CDAA biogenic,in-vitro NC(=O)N1CCC[C@H]1C(=O)NCCC1=CCCCC1 14183439 DCNNIRUDNCWUTM-LBPRGKRZSA-N 265.357 1.536 0 50 CDAA CSCC(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 14954706 QEUMNBCDUJXKCX-LBPRGKRZSA-N 296.367 1.406 0 50 CDAA O=C([C@@H]1CCCO1)N1CCN(CCc2ccccc2)CC1 16602663 IUZRCFANSVKMQJ-INIZCTEOSA-N 288.391 1.552 0 50 CDAA Nc1cc(=O)[nH]c(SCC(=O)c2cccs2)n1 18211918 CLWPMENKFQZIME-UHFFFAOYSA-N 267.335 1.389 0 50 CDAA Brc1cn[nH]c1I 205266815 GUJCTDQAFPJYFU-UHFFFAOYSA-N 272.871 1.777 0 50 CDAA OC[C@H]1CN(c2ncnc3c(F)c(F)ccc23)CC[C@@H]1O 1857527692 HGRRSMNVGPMZMB-KCJUWKMLSA-N 295.289 1.088 0 50 CDAA Cc1nccn1CCCN1C[C@@H]2CCOC[C@]2(C(=O)O)C1 1857668854 COGCCRNFIQYZLU-DZGCQCFKSA-N 293.367 1.005 0 50 CDAA O=c1c2[nH]ccc2ncn1Cc1ccc2c(c1)CCO2 1857670210 BAZYMGWKHCBFFT-UHFFFAOYSA-N 267.288 1.708 0 50 CDAA CCOC[C@H](C)N[C@H]1CCO[C@@H]1c1nccn1CC 328651809 WBAAMJNTTRLAFJ-AVGNSLFASA-N 267.373 1.748 0 50 CDAA Cc1cc(-c2ccc([C@H]3CNC(=O)C3)cc2)c(O)nn1 1875243097 QAPTXZCLSNGAIP-GFCCVEGCSA-N 269.304 1.761 0 50 CDAA O=c1onc(-c2ccccn2)n1CCO[C@H]1CCCCO1 225638891 LCVCRJHRTPAFEN-LBPRGKRZSA-N 291.307 1.442 0 50 CDAA O=C(O)CCCNC(=O)c1cccc(N2CCCC2=O)c1 237986606 PTLPPMCMMMKNIA-UHFFFAOYSA-N 290.319 1.408 0 50 CDAA Cn1cnc2cc(C(=O)N3CCN(C4CC4)C(=O)C3)ccc21 335920255 LGNLTNWYVCRPLG-UHFFFAOYSA-N 298.346 1.020 0 50 CDAA CS(=O)(=O)CC[C@H]1CCCCN1C(=O)Cc1ccoc1 340738597 IBNBEHDOAWERDH-CYBMUJFWSA-N 299.392 1.638 0 50 CDAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)[C@H]1O 252497489 QJGXNZREOAULEI-OLZOCXBDSA-N 299.317 1.678 0 50 CDAA CCn1cc(C(=O)NCc2nc(C)c(C(=O)O)s2)cn1 679399219 XHZBVAHXCPDDRH-UHFFFAOYSA-N 294.336 1.296 0 50 CDAA CC1(C)CC[C@@H](CNC(=O)C2(O)Cc3ccccc3C2)O1 373555153 DXNMNNKUFJFBAC-AWEZNQCLSA-N 289.375 1.590 0 50 CDAA COC(=O)N1CCOC[C@@H]1c1ncnn1-c1ccccc1 585082181 WYJYGUYWULWURY-GFCCVEGCSA-N 288.307 1.407 0 50 CDAA CC[C@@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)C(OC)OC 585119686 PYDWDWLPHXKXEY-SNVBAGLBSA-N 294.355 1.295 0 50 CDAA Cc1ncc2c(n1)[C@]1(CCCN(CC(=O)N(C)C)C1)CC2 1704325284 HDLWHMPIYLCRNX-MRXNPFEDSA-N 288.395 1.153 0 50 CDAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(CO)(CO)CC2)C1(C)C 832566665 AJPZEORZTKIBJS-KGLIPLIRSA-N 295.423 1.818 0 50 CDAA NCc1ccc(C(=O)N2CCCC[C@H]2CC(N)=O)cc1 237903673 PPOPLUFKTADLSY-ZDUSSCGKSA-N 275.352 1.015 0 50 CDAA CNc1nc(CN(C)C[C@@H]2COCCO2)cs1 252483780 FIDWKRBPTVQVNR-SNVBAGLBSA-N 257.359 1.032 0 50 CDAA COc1cccc2c1CC[C@@H]2NC(=O)C1(C(=O)O)CC1 263525216 JLUBXFCGEOHXMK-NSHDSACASA-N 275.304 1.664 0 50 CDAA O=C(CC[C@@H]1CCCCO1)N1CCC(CCO)CC1 401025964 UJSWPKMKCAEJEJ-AWEZNQCLSA-N 269.385 1.957 0 50 CDAA CCOc1ccc(CN(C)C[C@H]2CCOC2)cn1 584887730 UJILXRUVEKLPFF-CYBMUJFWSA-N 250.342 1.949 0 50 CDAA Cc1nc(Cl)cc(N2CCC[C@@H]2CS(C)(=O)=O)n1 585098802 CHGAUZYVIPYXOK-SECBINFHSA-N 289.788 1.452 0 50 CDAA COC(=O)c1cncnc1N(C)Cc1cc(OC)ns1 722386213 QXHIMUWOSFKKOU-UHFFFAOYSA-N 294.336 1.365 0 50 CDAA Cc1nc(C(=O)NOCC2CC2)ccc1C(=O)O 911807554 AMDXAGHMSYRSKT-UHFFFAOYSA-N 250.254 1.160 0 50 CDAA NC(=O)c1cnccc1N1CCC[C@@H](CCC(=O)O)C1 398980527 DGQMHIGXIYWAJZ-JTQLQIEISA-N 277.324 1.262 0 50 CDAA O=C(NC[C@H]1CCCO1)C(=O)Nc1cccc(F)c1 2993769 NNXMMPQPBDNKPG-LLVKDONJSA-N 266.272 1.059 0 50 CDAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2F)n1 8660777 AZXGJDPMTISXHM-UHFFFAOYSA-N 293.323 1.948 0 50 CDAA c1ccc2c(c1)nnn2CCn1nnc2ccccc21 5520471 XJELHWZSBNRKRC-UHFFFAOYSA-N 264.292 1.876 0 50 CDAA CCC(CC)(CNC[C@@H](O)[C@H]1CCCO1)C(=O)O 2325790380 HXDUJGOHISERGO-GHMZBOCLSA-N 259.346 1.007 0 50 CDAA Nc1ccc(C(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1 191053 WPBHDIITFIWYHE-UHFFFAOYSA-N 285.255 1.896 0 50 CDAA CCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1OC 297409 AJIWPCKBPCFECV-UHFFFAOYSA-N 287.337 1.424 0 50 CDAA biogenic C[C@@H](NC(=S)NCc1ccco1)[C@@H]1CCCO1 609278 WPGCVOSVTIYCLI-KOLCDFICSA-N 254.355 1.811 0 50 CDAA COC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 2388572 SZQDHZWFEQXSMQ-NSHDSACASA-N 293.344 1.577 0 50 CDAA CCn1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)cc1=O 2356137833 BINAOOITZIZNQJ-KLPPZKSPSA-N 292.335 1.241 0 50 CDAA Cc1nnc2n1[C@@H](CC(C)C)CN(C(=O)c1cn[nH]c1)C2 2356144605 FULPZCYGANJMNH-LBPRGKRZSA-N 288.355 1.553 0 50 CDAA Cn1cnc2nc(NCc3nc(C(F)(F)F)n[nH]3)ncc21 2356165031 PJGLTWBTCWOIRF-UHFFFAOYSA-N 298.232 1.112 0 50 CDAA CC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 4009254 PFIIIJQSOZINKZ-JTQLQIEISA-N 273.214 1.554 0 50 CDAA COCCCNC[C@@H](O)COc1cccc2[nH]c(C)cc12 4084739 NALDNEWIXOEXNR-CYBMUJFWSA-N 292.379 1.842 0 50 CDAA O=C(NCC[C@@H]1CCCO1)NC[C@@H]1CC[C@H](O)C1 225583211 XOTXUMMCYZHXNL-WOPDTQHZSA-N 256.346 1.016 0 50 CDAA Cn1cc(CN2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cn1 246785372 IDRUALTXRWZJMC-XQQFMLRXSA-N 263.341 1.638 0 50 CDAA O=C(N1CCC[C@@H](OCC2CC2)C1)C1(O)CCC1 377259429 WHOZEDBPRQLREE-GFCCVEGCSA-N 253.342 1.319 0 50 CDAA COC(=O)[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C 248083401 JPXDXEXMPJUMFB-NEPJUHHUSA-N 268.357 1.025 0 50 CDAA O=C(CO)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 67677999 KKABDLAQEDYSMH-AWEZNQCLSA-N 299.374 1.699 0 50 CDAA NC(=O)N1CCC[C@H](C(=O)NCCC2CCCCC2)C1 25160579 VSAVODUBLWZTFP-ZDUSSCGKSA-N 281.400 1.864 0 50 CDAA O=c1[nH]nc(CN2CCCC2)n1CCc1ccccc1F 65370974 NJFNGSRBCSCCPU-UHFFFAOYSA-N 290.342 1.549 0 50 CDAA CC(C)Cc1nc(CN(C)[C@H]2CCCNC2)no1 67743422 GYTUIBSKLNOYSV-NSHDSACASA-N 252.362 1.452 0 50 CDAA O=S1(=O)CC[C@H](Nc2ncc(Cl)cc2Cl)C1 21520074 YIAFPAQDLQGIAG-ZETCQYMHSA-N 281.164 1.987 0 50 CDAA Cc1nc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)no1 331664569 UDOZGUWWXSSSCT-NWDGAFQWSA-N 291.282 1.465 0 50 CDAA COc1cc(NCC2CCN(C(=O)C(C)C)CC2)ncn1 65373564 WMMDWDLCQOUGOZ-UHFFFAOYSA-N 292.383 1.792 0 50 CDAA COCCNC(=O)[C@H](c1cccc(C)c1)N(C)C 65429193 WXKSRVAAJPLLML-ZDUSSCGKSA-N 250.342 1.360 0 50 CDAA CC(C)(C)c1cc2ncn(Cc3nnn[nH]3)c(=O)c2s1 32511706 PGHVOMQJJRAOSK-UHFFFAOYSA-N 290.352 1.317 0 50 CDAA COC(=O)[C@@H](C)N(CC(=O)N(C)C)Cc1ccccc1 328598540 MUDAZVRDUKCIEZ-GFCCVEGCSA-N 278.352 1.138 0 50 CDAA CCn1cnnc1[C@H]1CN(CCc2cccs2)CCO1 328633237 LXHJAFTZAWDLOQ-CYBMUJFWSA-N 292.408 1.976 0 50 CDAA Cc1occc1C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 328614523 AHIYYWATEYKLSW-CYBMUJFWSA-N 288.351 1.450 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cc(F)cc(F)c1 219182008 DJPXFHYQFVCTCM-ZIAGYGMSSA-N 299.317 1.818 0 50 CDAA CC(=O)N1CC[C@](C)(C(=O)N(C)c2ccc(C)cn2)C1 377517323 DDLSEJBFZRGGFB-HNNXBMFYSA-N 275.352 1.611 0 50 CDAA CCCN1CCN(C(=O)[C@@H]2C[C@H](C)CC(O)=N2)CC1 328842774 VXZLUVSPNYULGO-RYUDHWBXSA-N 267.373 1.296 0 50 CDAA CC(C)c1cc(C(=O)NCCc2nncn2C(C)C)on1 72804705 NHQISDGOJYLJTA-UHFFFAOYSA-N 291.355 1.943 0 50 CDAA O=C(CO)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 331324741 NTKIUKZQMJZMQR-JTQLQIEISA-N 284.306 1.038 0 50 CDAA O=c1[nH]ccnc1N1CCN(Cc2ccc(Cl)o2)CC1 215264970 SLQVPYYRFIKJOS-UHFFFAOYSA-N 294.742 1.339 0 50 CDAA NC(=O)Nc1cccc(-c2nc(C3(N)CCCC3)no2)c1 261652860 FATVKXCSBIYOQI-UHFFFAOYSA-N 287.323 1.955 0 50 CDAA Cc1ccsc1CN1CCC[C@@](O)(CN(C)C)C1 72421928 UKHLSCMOJFKVIP-CQSZACIVSA-N 268.426 1.945 0 50 CDAA CC(C)CO[C@H](C)c1noc(Cn2ccnn2)n1 128052116 KMZFVWBRUOXINT-SECBINFHSA-N 251.290 1.443 0 50 CDAA CC(C)=C(F)C(=O)N1CC[C@@H](N(C)Cc2noc(C)n2)C1 370503055 NUADHJLMEVBIBS-LLVKDONJSA-N 296.346 1.674 0 50 CDAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@@H]2CCNC2)C1 237683056 TZLRTSGBDOAQIH-OWCLPIDISA-N 293.455 1.709 0 50 CDAA CSc1ncc(Cn2ccnc2-c2c[nH]cn2)n1C 77406970 DMHDGYQGOQFVGK-UHFFFAOYSA-N 274.353 1.777 0 50 CDAA CC1(C)OCC[C@H]1NS(=O)(=O)c1cn2c(n1)CCCC2 451695054 MPFFLDAWFSDXGT-SNVBAGLBSA-N 299.396 1.065 0 50 CDAA CCc1ccccc1CN1CCN2CCN(C)C[C@@H]2C1 216301193 FDTNRLBSAMFAKK-QGZVFWFLSA-N 273.424 1.681 0 50 CDAA Cc1nc(CN2C[C@H](C)C(=O)Nc3ccccc32)no1 174178937 ICBUIRLXUCOLTI-VIFPVBQESA-N 272.308 1.973 0 50 CDAA C[C@@H]1CCN(C(=O)CC2OCCCO2)C[C@H]1n1ccnc1 239352146 ABGRCFWCZOHZSC-CHWSQXEVSA-N 293.367 1.446 0 50 CDAA CC[C@H](OC)C(=O)N1CC[C@H](N2CCCC2)[C@@H]1C 240244258 DLHPMUBYESNPAV-AVGNSLFASA-N 254.374 1.497 0 50 CDAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC1CCN(C)CC1 241132795 JLQPUSKJVUEMNM-HYVNUMGLSA-N 295.471 1.560 0 50 CDAA Cc1cc(O)nc(C(=O)Nc2ccc3c(c2)CC(=O)N3)c1 242183871 XCQMXNGWTCEPCL-UHFFFAOYSA-N 283.287 1.843 0 50 CDAA COc1ccc(OCc2nc3c(c(=O)[nH]2)CCNC3)cc1 82136769 UZMJCBNVXIHJSG-UHFFFAOYSA-N 287.319 1.003 0 50 CDAA Cc1nc2cc(C(=O)N3C[C@H](F)C[C@H]3C(N)=O)ccc2o1 287019106 ULQHSTGYZAOWSJ-KOLCDFICSA-N 291.282 1.174 0 50 CDAA CCOc1ccc(C(=O)N2CCN(CC)C(=O)[C@H]2C)o1 220747230 IFSBJZQFAHHPTF-SNVBAGLBSA-N 280.324 1.371 0 50 CDAA C[C@H](CN(C)c1noc(-c2ccccc2)n1)C(=O)O 263569167 ZBLQDQLHXCIUDI-SECBINFHSA-N 261.281 1.894 0 50 CDAA CCO[C@H](C)C(=O)NCCCc1csc(=N)[nH]1 426640568 VLIBCUNBWVWNJF-MRVPVSSYSA-N 257.359 1.029 0 50 CDAA COCc1nc(CNC(=O)c2cccc(N(C)C)c2)no1 222985895 BORSTZGXJYMLKI-UHFFFAOYSA-N 290.323 1.212 0 50 CDAA Cc1[nH]c(=O)c(C(=O)N2CCN[C@@H](C)C2)c(C)c1Cl 97495466 RCFYKICJVLDVGD-ZETCQYMHSA-N 283.759 1.079 0 50 CDAA CC(=O)N1CCN(Cc2cc(F)ccc2C)C[C@@H](O)C1 91586483 QGVVECUPPVGIEX-OAHLLOKOSA-N 280.343 1.159 0 50 CDAA C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2)C1 237517124 MHHISMLNTUUUNR-JYJNAYRXSA-N 293.455 1.851 0 50 CDAA Cc1nccn1CCc1nc2c([nH]1)CC(C)(C)CNC2=O 95357148 VMSJYERTZZHFBG-UHFFFAOYSA-N 287.367 1.469 0 50 CDAA C[C@@H](CC(=O)N(C)CC(N)=O)c1cccc(F)c1 239667669 BRDBVOHFLVUANT-VIFPVBQESA-N 252.289 1.263 0 50 CDAA CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](N)C1 91305568 MFDXXQBPWWTBPD-LBPRGKRZSA-N 276.384 1.410 0 50 CDAA Nc1ccnc(C[C@H]2CC(=O)N(c3ccccc3)C2)n1 244734728 NKXIBJRRSKNGTF-NSHDSACASA-N 268.320 1.654 0 50 CDAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCOC1 246354037 GEOFNDXKKIDFQM-OCCSQVGLSA-N 274.364 1.890 0 50 CDAA Cc1n[nH]c(CN2CCN3CCC[C@H]3C2)c1Cl 244787656 QBAPXQKEEPXKQB-JTQLQIEISA-N 254.765 1.652 0 50 CDAA Cc1oc2c(c1C(=O)NCCn1cncn1)C(=O)CCC2 244716296 LMKSCWFYNWQAON-UHFFFAOYSA-N 288.307 1.129 0 50 CDAA O=C(CCN1CCc2[nH]cnc2C1)NCc1cccs1 243932111 BSYXRZXMZIXHGF-UHFFFAOYSA-N 290.392 1.536 0 50 CDAA Cn1cc(CCN2CCO[C@](C)(c3ccccc3)C2)nn1 625217434 FCFDCSZZEAHLPH-INIZCTEOSA-N 286.379 1.605 0 50 CDAA C[C@@H]1CCC[C@H](CC(=O)N2CCOC[C@@H]2C(=O)O)C1 299749573 KVKFGDRBVWABRB-GRYCIOLGSA-N 269.341 1.515 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)C1(c2ccccc2F)CC1 299748357 HBUZTRFYMJKECL-VIFPVBQESA-N 265.284 1.789 0 50 CDAA Cc1ccc(NCCCNC(=O)[C@H](C)n2cccn2)nc1 265539085 KNIBMRKXZOWQAT-ZDUSSCGKSA-N 287.367 1.766 0 50 CDAA Cc1ncsc1CCC(=O)NCc1cccnc1N 534663381 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286.335 1.440 0 50 CDAA C[C@@H](C(=O)NC[C@@H]1CCn2ccnc2C1)C1CCOCC1 583623914 ADKKCKIQODGZHM-CHWSQXEVSA-N 291.395 1.624 0 50 CDAA C=CC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 791309254 VKVMUXVLQMGHKN-UHFFFAOYSA-N 270.214 1.550 0 50 CDAA Cc1nc([C@@H](C)N(C)C(=O)NCCC(=O)O)c(C)s1 1506411321 YISXHHWMSTYPDD-SSDOTTSWSA-N 285.369 1.937 0 50 CDAA CN(CCc1ccccn1)c1ncc2cn[nH]c2n1 1857667752 LXVLZIOXUBACHA-UHFFFAOYSA-N 254.297 1.427 0 50 CDAA CN1C(=O)NCC12CN(c1nc3ccccc3s1)C2 1857667845 DYJDMDAHRXFJJK-UHFFFAOYSA-N 274.349 1.510 0 50 CDAA COc1cccc(CN(CCO)Cc2cnc(C)[nH]2)c1F 1704312374 QHLFXZBRAYHHLM-UHFFFAOYSA-N 293.342 1.860 0 50 CDAA O=C1N(c2cccc(Cl)c2)Cc2nnc(O)n21 1547201171 NKXILSVEFYOZLD-UHFFFAOYSA-N 250.645 1.625 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)[C@@H]1CC[C@H](N)C1 215572957 LOQVWQFVZPNDQY-NEPJUHHUSA-N 284.363 1.716 0 50 CDAA CN1CC[C@@H]2CN(c3nccnc3N3CCCC3)C[C@@H]21 216303560 RSMQLTFIQBZCOE-OLZOCXBDSA-N 273.384 1.217 0 50 CDAA CC(C)(CO)CNC(=O)c1cc(C(C)(C)C)on1 119998507 ZPTUTKNKQSFNGU-UHFFFAOYSA-N 254.330 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BTRNQXFRNHQLAA-UHFFFAOYSA-N 262.353 1.402 0 50 CDAA C[C@@H](CN(C)c1nccc(C(C)(C)C)n1)C(=O)O 261582791 RIILUJIXCXEJMX-VIFPVBQESA-N 251.330 1.931 0 50 CDAA Cc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1C 262539823 UWNMTTQTZBNHKO-UHFFFAOYSA-N 277.320 1.355 0 50 CDAA CCC[C@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)O 262615802 BPFRPOWCZXZQAZ-VIFPVBQESA-N 292.744 1.267 0 50 CDAA COCc1nc(CNC2Cc3ccccc3C2)no1 65530905 OCARQBJHHGSYTG-UHFFFAOYSA-N 259.309 1.473 0 50 CDAA CC(C)C[C@@H]1CCN(c2ncnc3c2CCNC3)C1 67447352 ZCRCJMOSPSIJAQ-LBPRGKRZSA-N 260.385 1.995 0 50 CDAA COc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2NC3)cc1F 701073414 LTHJAXKUSOVDIN-OASPWFOLSA-N 278.327 1.705 0 50 CDAA O=C(c1ccc2nccn2c1)N1CCC[C@@](F)(CO)C1 334963953 OLTHNIINNCMQLJ-AWEZNQCLSA-N 277.299 1.271 0 50 CDAA C[C@@H]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C1=O 95358891 QMIYFXNWVJASRS-SNVBAGLBSA-N 267.350 1.459 0 50 CDAA Cc1[nH]nc2c1CN(S(=O)(=O)N1CCCCCC1)CC2 825261457 FAXICIMPXIOYOX-UHFFFAOYSA-N 298.412 1.197 0 50 CDAA C[C@@H](NC(=O)N1CC[C@H](N)C1)c1ccc(F)cc1 827541531 HIVZQNXFPQTFSM-SKDRFNHKSA-N 251.305 1.629 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCCc2cccc(O)c21 647737426 YZDYESVGRZTOOY-NXEZZACHSA-N 261.277 1.392 0 50 CDAA Cc1c(C(=O)N(C)[C@H](C)C2CCC2)nnn1[C@H]1CCOC1 2325769936 VPKZEXVYENUZPM-MFKMUULPSA-N 292.383 1.809 0 50 CDAA Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1 54463 XKDJGAPHTFVILP-UHFFFAOYSA-N 262.334 1.869 0 50 CDAA Cc1cc(-n2cc(F)c(=O)[nH]c2=O)nc(-c2ccccc2)n1 186972 NPVDPDMXOGWCCR-UHFFFAOYSA-N 298.277 1.430 0 50 CDAA O=C1CC(=O)N(CCC2=CCCCC2)C(=S)N1 217199 BBQHETPGLLKCFR-UHFFFAOYSA-N 252.339 1.510 0 50 CDAA Cc1ccc(S(=O)(=O)NN2CCS[C@H](C)C2)cc1 405448 KOMYHRBDRMTHAB-LLVKDONJSA-N 286.422 1.626 0 50 CDAA CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1 479485 RVLCSFUVMXGZRJ-UHFFFAOYSA-N 294.332 1.581 0 50 CDAA CCN=c1ccc(-c2cc3c(cc2OC)OCO3)n[nH]1 2356134620 UZTUNSXKOVDYQD-UHFFFAOYSA-N 273.292 1.735 0 50 CDAA COc1ccc([C@@H](CC(=O)O)NC(=O)C(F)(F)F)cc1 2462095 DMYSJLYNJFWKES-SECBINFHSA-N 291.225 1.890 0 50 CDAA C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CO)C(C)(C)CN(C)C 246340537 OKKCTEDQBMDOSK-IHRRRGAJSA-N 299.459 1.813 0 50 CDAA Cc1ccccc1NC(=O)CSc1nncc(O)n1 4292237 PFRFYXPXZCRIKN-UHFFFAOYSA-N 276.321 1.616 0 50 CDAA O=C(CCc1ccccc1)NCCCN1CCCC1=O 4749870 NCVPVXPWWUONCL-UHFFFAOYSA-N 274.364 1.748 0 50 CDAA O=C(CON1C(=O)CCC1=O)Nc1cccc2ccccc12 4813574 FDNKWFAMFBQFGK-UHFFFAOYSA-N 298.298 1.859 0 50 CDAA Cc1cccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 6703841 HUPXIIJMLFOWQK-LBPRGKRZSA-N 296.392 1.605 0 50 CDAA C1=CCN(c2nc(-c3ccco3)nc3c2CCNCC3)C1 101171058 OEXBFOHJWMOZHN-UHFFFAOYSA-N 282.347 1.801 0 50 CDAA CC[C@@H](C)NC(=O)c1cccc(NS(C)(=O)=O)c1 10357437 AUSYHWBVBPYGIB-SECBINFHSA-N 270.354 1.586 0 50 CDAA C[C@@H]1CCN2C(=O)N(c3nccs3)C(=O)[C@H]2C1 225453243 ZUTBDSZVHMAQIX-HTQZYQBOSA-N 251.311 1.710 0 50 CDAA O=C(O)c1ccc(OCc2nnnn2-c2ccccc2)cc1 9183764 YHMDHXQLPBUCDY-UHFFFAOYSA-N 296.286 1.940 0 50 CDAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2c[nH]c(=O)cn2)c1 55041932 JHSNGWDMZSTPKM-LLVKDONJSA-N 286.335 1.177 0 50 CDAA CCc1noc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)n1 247962797 WCJFGVNPIXKNJV-QWHCGFSZSA-N 292.383 1.607 0 50 CDAA Cc1nc(CN(C)c2ncc(F)c(N3CCCC3)n2)no1 65501744 GIDNUHHOOVPIIE-UHFFFAOYSA-N 292.318 1.544 0 50 CDAA CN1CCN(c2ccc(-c3ccccc3)nn2)C[C@@H]1C(=O)O 67649090 JLNJBTYFGTXPOU-CQSZACIVSA-N 298.346 1.349 0 50 CDAA Ic1cnc2c(c1)OCCO2 66054251 DGGZHTCUCUUKSH-UHFFFAOYSA-N 263.034 1.457 0 50 CDAA in-vitro Cc1cnc(NCCc2csc(N)n2)nc1N(C)C 65533508 WNUNMYRWSZAFSU-UHFFFAOYSA-N 278.385 1.544 0 50 CDAA O=C(N[C@H](CCO)C1CCOCC1)c1ccncc1Cl 330889366 GXDQNMJRFJERSF-CYBMUJFWSA-N 298.770 1.642 0 50 CDAA Cc1cccc(-n2cnnc2CN2CCOCC2)c1 67743610 RUAYHGYZIPACAR-UHFFFAOYSA-N 258.325 1.408 0 50 CDAA COC(=O)[C@@H](C)Oc1ccc(O[C@H](C)C(=O)OC)cc1 1386169 XPKRDESWBQNMAQ-NXEZZACHSA-N 282.292 1.567 0 50 CDAA in-vitro Cn1cnc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)c1 219431212 NOJBOFJERSWCMK-MYPMTAMASA-N 289.379 1.744 0 50 CDAA C[C@H](c1cc(F)ccc1F)N(C)C(=O)C[C@@H](CN)CO 328599778 UDFKUKQJFYLAOM-ZJUUUORDSA-N 286.322 1.442 0 50 CDAA CCCN1CC(=O)N(c2c(CC)noc2C)C1=O 328595199 NZKDLXFQJWINBR-UHFFFAOYSA-N 251.286 1.724 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]2C1 71721428 IWPDFDOLGNBUBB-OLZOCXBDSA-N 260.341 1.483 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)O)c(C)c1 32110363 QSXKJEADCDAZOX-LLVKDONJSA-N 257.355 1.271 0 50 CDAA Cc1ccc(CCCC(=O)N[C@@H]2CCC(=O)NC2=O)cc1 152127286 DOEBCNMMQBULQP-CYBMUJFWSA-N 288.347 1.239 0 50 CDAA CCOC(=O)c1csc(C[C@@H]2CCCNC2)n1 260937687 SBRSVESOJHISFC-VIFPVBQESA-N 254.355 1.862 0 50 CDAA CN1CC[C@H]2CN(Cc3cnc(N4CCCC4)s3)C[C@H]21 215039678 PSDXACSOMHNJAT-GXTWGEPZSA-N 292.452 1.879 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CCN[C@@H](C)C1 237021334 SLFSQTFMLFXEAR-JTQLQIEISA-N 266.316 1.658 0 50 CDAA Cc1cc(N[C@@H](C)c2c(C)nn(C)c2C)nc(N)n1 32534905 VWGCZCOLSSOABY-QMMMGPOBSA-N 260.345 1.891 0 50 CDAA CC[C@H](NC(=O)CCCN1CCCC1)c1ccnn1C 219370574 CPULGNGIYXAEPB-ZDUSSCGKSA-N 278.400 1.863 0 50 CDAA C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)O 237486552 BAKVTCUHRQQIAG-JTQLQIEISA-N 290.319 1.012 0 50 CDAA Cn1cccc1C(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 77452132 DMPAPYXQXDTOMP-NSHDSACASA-N 286.335 1.337 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NC1(c2nccs2)CCCC1 262459082 XQLNCEWALBEEGP-IUCAKERBSA-N 280.349 1.749 0 50 CDAA CCC[C@H](NC(=O)c1ccc2c(c1)CCOC2)C(=O)O 606445192 FNESFQSHIPFJFZ-ZDUSSCGKSA-N 277.320 1.742 0 50 CDAA COCCn1ccnc1CN(C)Cc1nncn1C(C)C 215582493 OUDYCNMNHRFFFJ-UHFFFAOYSA-N 292.387 1.334 0 50 CDAA O=C(CN1CCC[C@H]1c1ncc[nH]1)Nc1nccs1 378434697 LEXIJGSELXRUSZ-VIFPVBQESA-N 277.353 1.642 0 50 CDAA COc1cccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1 335663653 JFLZXRVLRPIGTR-NSHDSACASA-N 271.320 1.706 0 50 CDAA C[C@H]1CCN(C(=O)NC2CCSCC2)CC[S@]1=O 335839787 CPTLARHUSMUZCW-XTZNXHDOSA-N 290.454 1.435 0 50 CDAA CSCC(=O)N[C@@H](Cc1ccncc1)C1CC(O)C1 219867289 OLOJJHRPCOLZRX-BPCQOVAHSA-N 280.393 1.243 0 50 CDAA CC[C@H]1COCCN1C(=O)CCCN1CCCC1=O 77389604 NLMCYWAZSGZECJ-LBPRGKRZSA-N 268.357 1.026 0 50 CDAA COc1ncccc1N(C)C(=O)c1c(C)noc1C 132773066 HJQPFULCXVFQKP-UHFFFAOYSA-N 261.281 1.972 0 50 CDAA O=C(NC[C@H]1CCCN1)c1cccnc1N1CCCC1 178769074 ZYIHUKNJJKPDKJ-GFCCVEGCSA-N 274.368 1.164 0 50 CDAA CCCOCC(=O)Nc1cc(-c2cccnc2)n[nH]1 133100905 SVRNWHJAKIKJBQ-UHFFFAOYSA-N 260.297 1.837 0 50 CDAA Cc1nccn1CCC(=O)N[C@H](CC(=O)O)C(C)C 223844054 QAIQIVSMZCDPCW-LLVKDONJSA-N 267.329 1.197 0 50 CDAA Cn1cc(C(=O)NCc2ccc3c(n2)CCCC3)nn1 288670227 HNGKJSNVXBPJSP-UHFFFAOYSA-N 271.324 1.019 0 50 CDAA Cc1c(C(=O)NCc2cccc(CO)c2)ccn1C 195304799 DMRAUCIOXLZFTL-UHFFFAOYSA-N 258.321 1.756 0 50 CDAA CC[C@@H](C)[C@H](NC(=O)c1cccc(F)n1)C(=O)O 131010308 VBOIPLUGDOTXAH-XCBNKYQSSA-N 254.261 1.450 0 50 CDAA c1ccc2c(c1)C[C@@H](CNc1ncncn1)CCO2 222240479 WAFJXKHAUJJPOB-NSHDSACASA-N 256.309 1.925 0 50 CDAA O=C(NC[C@@H]1COCCO1)Nc1cccc(F)c1 48694455 PGKHMZHNPNJSPE-LLVKDONJSA-N 254.261 1.363 0 50 CDAA CC[C@@H](NC(=O)c1c(F)cccc1OC)C(=O)O 88079739 XWVSOKPCWHYEJE-MRVPVSSYSA-N 255.245 1.427 0 50 CDAA CCCC(CCC)[S@@](=O)CCCS(N)(=O)=O 178546683 UVIDCSXTJZPJCD-HNNXBMFYSA-N 269.432 1.383 0 50 CDAA Cc1cc(C)c(C(=O)N[C@H](C)Cc2cnccn2)c(=O)[nH]1 91617020 PIXUGISXUDKVSB-LLVKDONJSA-N 286.335 1.143 0 50 CDAA COCc1n[nH]c(C)c1-c1ccc(S(C)(=O)=O)cc1 426685484 YHWAZRKRVUSVQL-UHFFFAOYSA-N 280.349 1.935 0 50 CDAA Cc1ccc(CCNC(=O)N2CCCC[C@@H]2CO)o1 426529216 HJIWFBQTYMUVPW-GFCCVEGCSA-N 266.341 1.687 0 50 CDAA CCc1cccc(C(=O)Nc2c[nH]nc2C(=O)OC)c1O 619443793 XCSXYUYOICHBHW-UHFFFAOYSA-N 289.291 1.717 0 50 CDAA COCC[C@]1(CO)CCCN(Cc2ccncc2)C1 91845614 AXABINBRAPAUBU-OAHLLOKOSA-N 264.369 1.693 0 50 CDAA COCc1nc(CN2CCC(c3nccn3C)CC2)no1 91746946 PKZKGACUGKQLSG-UHFFFAOYSA-N 291.355 1.329 0 50 CDAA CSCc1noc(CN2CCCO[C@@H](C)C2)n1 244873206 WLSVXKLEPIDAAQ-VIFPVBQESA-N 257.359 1.543 0 50 CDAA CNC(=O)[C@H]1CN(CC2CCCCCC2)CCO1 182446968 VINWDIRPYWCAMA-CYBMUJFWSA-N 254.374 1.404 0 50 CDAA C[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 246843558 LJOVSGKKVLCRBU-GZBLMMOJSA-N 262.397 1.975 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1CC1=Cc2ccccc2OC1 299741048 CKGMUPVGOXJQQO-OLZOCXBDSA-N 276.311 1.360 0 50 CDAA CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@H]1CCOC1)CC2 299743598 LNLOIQYDSWRHJI-VXGBXAGGSA-N 291.395 1.791 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91391075 GZZOBLSPBGDSLC-OLZOCXBDSA-N 298.383 1.492 0 50 CDAA Cc1n[nH]nc1C(=O)N1CCC(Oc2ccncc2)CC1 299794217 LEWDHDMRRLSRJI-UHFFFAOYSA-N 287.323 1.192 0 50 CDAA O=C(CC1=CCCC1)N1CCN(C(=O)c2ccc[nH]2)CC1 299795423 KIIUWUIAUOJTJH-UHFFFAOYSA-N 287.363 1.800 0 50 CDAA COc1cccc(OC2CN([C@@H](C)C(=O)N(C)C)C2)c1 299791861 CKTAWNFYUKFUQD-NSHDSACASA-N 278.352 1.235 0 50 CDAA NCc1cccc(NC(=O)NCC2(Cn3cccn3)CC2)c1 299785336 YFYYSGCDBDKWPT-UHFFFAOYSA-N 299.378 1.944 0 50 CDAA CN(C)C[C@H]1COCCN(CC(C)(C)N2CCCCC2)C1 823690207 NRTYAZAUFRVVTN-MRXNPFEDSA-N 297.487 1.761 0 50 CDAA CC(C)OCC1CCN([C@@H](C)CS(C)(=O)=O)CC1 821933531 UXOGCBRQIHFJAU-LBPRGKRZSA-N 277.430 1.557 0 50 CDAA CCS(=O)(=O)NC[C@@H](C)NCc1cnc(C)cc1C 823412702 HLEYGCXIYNEFGL-GFCCVEGCSA-N 285.413 1.116 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1n1cnc2cccc(C)c2c1=O 584901171 UMXHCLOEMVZXLD-KBPBESRZSA-N 287.363 1.597 0 50 CDAA O=C(CCC(F)(F)F)NCCCN1CCC[C@@H](O)C1 584887043 QIYDTUFDQLKLRI-SNVBAGLBSA-N 282.306 1.292 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)Cc1ccc(CO)cc1 584897566 WNXXDYIOYOZIFZ-UHFFFAOYSA-N 292.379 1.142 0 50 CDAA c1[nH]nc2c1CC[C@H](NC1CSCCSC1)C2 670465138 LRTIFSDAGRXQEG-JTQLQIEISA-N 269.439 1.705 0 50 CDAA Cc1ccc([C@@H]2CC(=O)Nc3nc(N)nc(N)c32)cc1 670416146 RMPVFAJZFXWGAD-VIFPVBQESA-N 269.308 1.424 0 50 CDAA COCc1nc(-c2ccoc2)n(CC(C)(C)O)n1 670451363 OSFFALGRXVXDBC-UHFFFAOYSA-N 251.286 1.455 0 50 CDAA CC(=O)N1CCC[C@H]1C(=O)Nc1ccnn1C1CCCC1 750810425 DYEZVGRVVMCCQZ-ZDUSSCGKSA-N 290.367 1.948 0 50 CDAA CNC[C@H](O)[C@H](C)C(=O)NC1CC(C)(C)CC(C)(C)C1 952882211 JGOXBLQGYMWEQQ-AAEUAGOBSA-N 284.444 1.924 0 50 CDAA N[C@@H]1CN(C(=O)CCc2ncc[nH]2)Cc2ccccc21 1875292816 UDPCONUZXYYSLT-CYBMUJFWSA-N 270.336 1.385 0 50 CDAA Cc1oncc1CNC(=O)[C@H](CO)c1ccccc1 1875286584 WJOVXHNVCHAUDV-CYBMUJFWSA-N 260.293 1.375 0 50 CDAA CCOc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1OC 268930976 YEMVMLWONJCITH-WDEREUQCSA-N 293.319 1.431 0 50 CDAA C=CC(=O)N1CCC(C(=O)N(C)Cc2ccon2)CC1 1875369230 BSJSYMXVVDTGSC-UHFFFAOYSA-N 277.324 1.058 0 50 CDAA C[C@@H](NC(=O)/C=C/CN(C)C)[C@@H](O)Cc1ccccc1 1875375411 CCQWUESTNSKLMB-BTMYIEMMSA-N 276.380 1.213 0 50 CDAA CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1 268944217 VBVQFGLXAYOVKD-RYUDHWBXSA-N 281.308 1.670 0 50 CDAA CC[C@@H](N)C1(O)CCN(C(=O)OC(C)(C)C)CC1 958528716 SKKSUOBNUIGWRA-SNVBAGLBSA-N 258.362 1.486 0 50 CDAA CO[C@@H](CNC(=O)Cn1nc(C)cc1N)c1cccs1 952979290 ZUVNOGYSPXSSNR-JTQLQIEISA-N 294.380 1.339 0 50 CDAA c1ccc(N2CC[C@@H](NCCc3cnc[nH]3)C2)cc1 952969015 AHXNHDOZYSAQCN-CQSZACIVSA-N 256.353 1.821 0 50 CDAA CC[C@@H](C)[C@@H](C(=O)Nc1n[nH]c(C(C)C)n1)n1cnnn1 888090804 VRGFPHJDPZPICR-BDAKNGLRSA-N 292.347 1.141 0 50 CDAA O=C1NCCN1CCN1CCC[C@@H](C2CCCC2)C1 1308156764 JVYVHPPOAUUUTR-CQSZACIVSA-N 265.401 1.914 0 50 CDAA Cc1cccc(C)c1CN(C)C(=O)NCc1cnnn1C 894875602 FBSMXBLHBGYRRV-UHFFFAOYSA-N 287.367 1.774 0 50 CDAA COc1cc(C)nc(N(C)C[C@@H](O)c2cccnc2)n1 895934386 BNOYVBUTMOZZFG-GFCCVEGCSA-N 274.324 1.358 0 50 CDAA CCn1nc(C)c(C(=O)NCC=C(Cl)Cl)n1 898306898 GJHCXJXMCSEWQP-UHFFFAOYSA-N 263.128 1.655 0 50 CDAA Clc1cccnc1NCc1cn(C[C@H]2CCOC2)nn1 630953980 DEQIQDGOJPPEOQ-SNVBAGLBSA-N 293.758 1.975 0 50 CDAA C[C@H](C(=O)NS(=O)(=O)c1cccs1)C1CCC1 408498686 KTBKCMQVESMBCC-QMMMGPOBSA-N 273.379 1.989 0 50 CDAA CN(CCCOc1ccccc1)C[C@@H]1COC(=O)N1 408524205 REEIPXPCTQJGQI-GFCCVEGCSA-N 264.325 1.496 0 50 CDAA C[C@H](CC(=O)OC[C@@H]1CCCCO1)N1CCCCC1=O 170619236 LCTGRVBPISIHOA-OLZOCXBDSA-N 283.368 1.890 0 50 CDAA CNc1nc(C)cc(C(=O)N[C@H](C)c2cn(C)nc2C)n1 281011392 SHFGWVCLNGNHQP-SECBINFHSA-N 288.355 1.360 0 50 CDAA CN(C(=O)c1ccnn1C1CCCC1)[C@@H](CN)C1CC1 579110785 AYVHPOUAHBCONA-AWEZNQCLSA-N 276.384 1.808 0 50 CDAA COc1ccccc1CC(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O 188515447 QCQIXCGFKKOFHB-DGCLKSJQSA-N 290.363 1.350 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)C[C@@H]1COC(=O)C1 188696984 ZEVPIADHZBUYMC-WDMOLILDSA-N 283.368 1.507 0 50 CDAA O=C(NCc1cccnc1)c1cc(-c2ccoc2)[nH]n1 642619654 ZUNRWCMNBLRDCW-UHFFFAOYSA-N 268.276 1.995 0 50 CDAA Cn1cccc1C(=O)NCc1cn(C2CCC2)nn1 585130575 VFDWXCLIPRNWPC-UHFFFAOYSA-N 259.313 1.272 0 50 CDAA CC(C)N(C)c1ccc(CN2CCN(C)C(=O)[C@H]2C)cn1 191535019 VZGSBJSOHIWXFQ-CYBMUJFWSA-N 290.411 1.589 0 50 CDAA CNCC(=O)Nc1cc(C)n(-c2cccc(F)c2)n1 193142893 HTNWVGCEEPRHSW-UHFFFAOYSA-N 262.288 1.478 0 50 CDAA C[C@@H](NC(=O)N=c1cccn[nH]1)[C@@H]1C[C@H](C(=O)O)C1(C)C 653540302 BZTBBIRKGKFWEC-KXUCPTDWSA-N 292.339 1.155 0 50 CDAA COc1cccc(Cn2ncn(C)c2=O)c1Cl 663999934 WBCJAOWPICOBBM-UHFFFAOYSA-N 253.689 1.292 0 50 CDAA O=C(c1ncc[nH]1)N(CCO)Cc1ccc(F)cc1 1506420007 QAKBQXOVWMCMEX-UHFFFAOYSA-N 263.272 1.184 0 50 CDAA Cc1cc(N2CC[C@@H](O)[C@@H](CO)C2)nc2ccc(F)cc12 1529134132 XJGSLCIZMUKBRG-IAQYHMDHSA-N 290.338 1.862 0 50 CDAA COCCN1CCC(C(=O)Nc2cnn(C)c2C)CC1 1529100717 XKXWTMFPWSGOOJ-UHFFFAOYSA-N 280.372 1.025 0 50 CDAA CCCc1nc(CN2C[C@H](C)S(=O)[C@@H](C)C2)no1 330137999 VGPPRYYGLLHJKB-UWVGGRQHSA-N 271.386 1.363 0 50 CDAA O=C(NCCc1cccnc1)[C@@H]1NCCOc2ccccc21 1615613798 BSVKAQYMETVDQH-MRXNPFEDSA-N 297.358 1.464 0 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CC(C)(C)c1nnc2ccc(NC[C@@H]3CC[C@@H](O)C3)nn12 225491071 NNJDXNUYGQSQEJ-GHMZBOCLSA-N 289.383 1.995 0 50 CDAA COC(=O)c1ccncc1I 2525006 XZUYSNLMTTZFDY-UHFFFAOYSA-N 263.034 1.473 0 50 CDAA in-vitro O=C(O)c1cccc(CN2CCN(c3cnccn3)CC2)c1 570729874 NOIAXBLBFKIHOB-UHFFFAOYSA-N 298.346 1.497 0 50 CDAA C[C@@H](C(=O)N1CCC[C@@H]1CO)N1CCc2ccccc2C1 154002522 IUOAYNGQMAJONP-XJKSGUPXSA-N 288.391 1.417 0 50 CDAA CC[C@H]1CC[C@H](C(=O)N2CCOC[C@@H]2CC(=O)O)CC1 262121330 CBUNFHDSJALQBG-AVGNSLFASA-N 283.368 1.905 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 262214499 KIHOZSLWIRMAHD-AWEZNQCLSA-N 290.363 1.632 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)[C@H]1SCCc2ccccc21 263322758 RTAARYZMNUDYPT-CABZTGNLSA-N 279.361 1.949 0 50 CDAA Cc1n[nH]cc1C(=O)Nc1ccc2[nH]c(C(N)=O)cc2c1 1642342971 QBMAUKXRCLEDMM-UHFFFAOYSA-N 283.291 1.551 0 50 CDAA O=C(Nc1cnc(-c2ccccc2)nc1)N1CC[C@H](CO)C1 265815635 WMJKXVCPDNYUMZ-LBPRGKRZSA-N 298.346 1.990 0 50 CDAA CC(C)(C)[C@@H](O)CNC(=O)CNc1ccccn1 901071727 KEIPUVISVWGPFQ-JTQLQIEISA-N 251.330 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278.356 1.616 0 50 CDAA CC(=O)N1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 949580902 IEWXRUGHGUZMCI-HNNXBMFYSA-N 286.375 1.845 0 50 CDAA NC(=O)c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 55673 TVNWZAQNNZOPCL-AWEZNQCLSA-N 298.298 1.564 0 50 CDAA COc1cc(CC(=O)O)c(Br)cc1O 2568093 WXCVKEBRBISILO-UHFFFAOYSA-N 261.071 1.790 0 50 CDAA CCCN1Cc2nnc(-c3cnc(C)nc3)n2[C@@H](C)C1=O 2356142902 MLMAZGQXBXIFFC-VIFPVBQESA-N 286.339 1.357 0 50 CDAA CS(=O)(=O)N(CC(=O)O)c1cccc(Cl)c1 2962910 XBNWUTUHUALYHM-UHFFFAOYSA-N 263.702 1.191 0 50 CDAA Cn1cnc2nc(-c3cc(CO)ccc3F)ncc21 2356152431 IQZBIRGVPLUVRV-UHFFFAOYSA-N 258.256 1.662 0 50 CDAA OC[C@H]1CCCCN1C[C@@H](O)COc1ccc(Cl)cc1 4021679 WMTGSWKPLDSFKN-ZIAGYGMSSA-N 299.798 1.927 0 50 CDAA Cc1c(NS(C)(=O)=O)cccc1C(=O)NC1CC1 10314657 WFNKBFRFODZZJT-UHFFFAOYSA-N 268.338 1.259 0 50 CDAA Nc1ccnc(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)n1 281501518 AVTSXBBKSKOTLO-STQMWFEESA-N 288.326 1.506 0 50 CDAA CCOC(=O)CSc1ncc(OC)c(Cl)n1 1388518 JFTNBJPRXSIRNS-UHFFFAOYSA-N 262.718 1.794 0 50 CDAA O=C1[C@@H]2[C@H](C(=O)N1Cc1cccnc1)[C@H]1C=C[C@H]2C12CC2 100745305 BWNLPRKWWSDRAY-SYQHCUMBSA-N 280.327 1.779 0 50 CDAA COC(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 248988134 GPVAOFGYBVHGCM-CKLFPEKLSA-N 285.290 1.946 0 50 CDAA NC(=O)C1(N[C@@H]2CCC(=O)N(CC3CC3)CC2)CCCC1 1506404209 SGQAGEHKCGHLIC-CYBMUJFWSA-N 293.411 1.165 0 50 CDAA CCn1nc2n(c1=O)C(=O)N(c1cccc(OC)c1)C2 65363998 SFASELVRCLRIKX-UHFFFAOYSA-N 274.280 1.062 0 50 CDAA Cc1noc([C@H](C)N2CCC[C@@H](Cn3cncn3)C2)n1 229477287 YLUOFWRTXMBLNG-CMPLNLGQSA-N 276.344 1.443 0 50 CDAA COC(=O)CCCNc1nc(CCN)nc2ccccc12 65398423 NTKKCNFSBQGFLC-UHFFFAOYSA-N 288.351 1.496 0 50 CDAA NS(=O)(=O)c1cc(F)c(Br)c(F)c1 36533115 AKMOQOUJQRDNSP-UHFFFAOYSA-N 272.070 1.375 0 50 CDAA CC[C@@H](Sc1nc(C(C)C)cc(=O)[nH]1)C(=O)O 34070097 VCPFOPLMNPZKIS-MRVPVSSYSA-N 256.327 1.849 0 50 CDAA C[C@H]1CCCCN1CCNc1nccnc1N(C)C 302187957 JIGFHHUJDMTWKR-LBPRGKRZSA-N 263.389 1.829 0 50 CDAA CCc1ccc([C@H](CO)NC(=O)[C@H]2CO[C@@H](C)C2)cc1 331301222 PMRRGGJLLBUKDJ-GLQYFDAESA-N 277.364 1.824 0 50 CDAA C[C@H](O)CCNC(=O)c1ccc(-c2nnc(S)o2)cc1 124259902 IYMLMZWXXGGUMZ-QMMMGPOBSA-N 293.348 1.526 0 50 CDAA CCNC(=O)CNc1cc(C)c(Br)cn1 121166268 MUNSMGVZQUIHQF-UHFFFAOYSA-N 272.146 1.701 0 50 CDAA Cc1cc(N[C@@H]2CCO[C@H]2c2cnn(C)c2)nc(C)n1 521395941 IOAIKBSHLBJJOR-OCCSQVGLSA-N 273.340 1.769 0 50 CDAA Cc1cc(C(=O)NCCNC(=O)c2cccnc2)cc(C)n1 216065515 KDPBIPOVMGAIEI-UHFFFAOYSA-N 298.346 1.253 0 50 CDAA O=C(NCCCc1ccccn1)c1c[nH]c(=O)c(Cl)c1 215786253 BFMKTWZIWGJCQI-UHFFFAOYSA-N 291.738 1.786 0 50 CDAA O=C(c1cc[nH]c1)N1CCC(N2CCC[C@@H](O)C2)CC1 72137031 MQNKDQHPTNQJJT-CQSZACIVSA-N 277.368 1.076 0 50 CDAA CCN(CCC(=O)O)C(=O)c1ccc(-n2cnnc2)cc1 236832614 UABMUKYUYHVOSG-UHFFFAOYSA-N 288.307 1.204 0 50 CDAA COCC1(CN[C@@H](C)c2nccn2C)CCOCC1 368364374 MEFQHDGIRUHXAX-LBPRGKRZSA-N 267.373 1.514 0 50 CDAA Fc1ccc(-n2cc(Cn3ccnn3)nn2)cc1Cl 128047995 IIYXPSVAQICBPC-UHFFFAOYSA-N 278.678 1.700 0 50 CDAA C[C@@H]1CN(CCCCNC(=O)/C=C/CN(C)C)C[C@@H](C)O1 492081019 ATZDVFCKXBPLDB-FHFZEBMASA-N 297.443 1.110 0 50 CDAA O=C(c1ccccc1-n1ccnn1)N1CC[C@@](O)(C2CC2)C1 373359391 NZOYVJWSSLTAOS-INIZCTEOSA-N 298.346 1.254 0 50 CDAA CC[C@H](NC(=O)C(=O)c1ccco1)c1cnn(C)c1 219130895 KOMUZPYWHOPJKC-JTQLQIEISA-N 261.281 1.463 0 50 CDAA O=C1CN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCN1 157720931 KUFROSVRPMXVAE-LBPRGKRZSA-N 295.383 1.010 0 50 CDAA Fc1ccccc1OCCN1CCOC[C@@H]1c1nc[nH]n1 375338223 QHQYZWUHMMLJID-GFCCVEGCSA-N 292.314 1.396 0 50 CDAA Nc1nc(Cl)cc(N2CCCN3CCC[C@H]3C2)n1 239352485 ACJHOACUEGAFAW-VIFPVBQESA-N 267.764 1.387 0 50 CDAA CC(C)CN1CCO[C@H](CCNC(=O)c2cncs2)C1 71314973 WKTBZLWZLIROBM-GFCCVEGCSA-N 297.424 1.620 0 50 CDAA C[C@H]1C[C@H]1C(=O)Nc1cncc(-c2nnc(S)n2C)c1 131836077 MVGYMGXDQPIVOJ-OIBJUYFYSA-N 289.364 1.760 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N=c1nc[nH]n1C(C)(C)C 338975934 PUDXBPRCISDCLZ-ZJUUUORDSA-N 266.345 1.209 0 50 CDAA C[C@@H](C(=O)O)N(C)S(=O)(=O)c1cccc2ccoc12 263258299 WDCGZFRGLVKLSH-QMMMGPOBSA-N 283.305 1.526 0 50 CDAA COCCc1nc(CNC(=O)C2CCCC2)no1 223395784 MKMKKNFFYCHNLF-UHFFFAOYSA-N 253.302 1.065 0 50 CDAA CC[C@@H](NC(=O)c1ccc(F)c(O)c1)C1CC(O)C1 220058445 QSARNQGSHKQDAI-RTYFJBAXSA-N 267.300 1.811 0 50 CDAA CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H]1C[C@@H]1C1CC1)CC2 177053359 PJEOHJDTCRHXHS-XQQFMLRXSA-N 288.395 1.879 0 50 CDAA COC(=O)N[C@H](C)C(=O)N(C)Cc1cc(C2CC2)on1 222645500 RCARLVLVGOSEKS-MRVPVSSYSA-N 281.312 1.255 0 50 CDAA CNCC(=O)N1CCC(Oc2ccccc2C)CC1 82114657 CCCKXKHJOTXCTP-UHFFFAOYSA-N 262.353 1.584 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 178974232 NJUQNKOZGBSYQT-ZDUSSCGKSA-N 284.363 1.554 0 50 CDAA COc1ccc(C(=O)NCCSc2nc(C)n[nH]2)cn1 222769889 HOBHIBBDRHFJCB-UHFFFAOYSA-N 293.352 1.039 0 50 CDAA Cc1ncsc1CSc1nnc(CN)n1C 426380763 YJELQYNKELAWSW-UHFFFAOYSA-N 255.372 1.331 0 50 CDAA Cc1c(C(=O)NC[C@H](CO)Cc2ccsc2)ccn1C 426599792 UOMNIMXRDJQQKG-CYBMUJFWSA-N 292.404 1.976 0 50 CDAA CN(C(=O)c1nc2cnccc2s1)C1(CO)CC1 614772200 VWRFKUYZGRBPAV-UHFFFAOYSA-N 263.322 1.288 0 50 CDAA CC[C@H](C)c1cc(C(=O)N2CC[C@H](CN)C2)on1 178532392 GOXNRPXVIBQZBE-VHSXEESVSA-N 251.330 1.609 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Cc1cc(N)ccc1NC(=O)Cn1nnc2ccccc21 237690934 BAPTUQPTPNLPEF-UHFFFAOYSA-N 281.319 1.961 0 50 CDAA CCOC(=O)N1CCC(NC(=O)Nc2ccnn2C)CC1 96133503 UMZFGYDQGARAAF-UHFFFAOYSA-N 295.343 1.163 0 50 CDAA CCCn1ncc(C(=O)N[C@@H]2CCCCNC2=O)c1C 91876936 FTJDCPDGXMZJSF-GFCCVEGCSA-N 278.356 1.000 0 50 CDAA NC(=O)C1CCN(C[C@H]2CCOc3ccccc3C2)CC1 95507522 AOCXBGPUKJCENR-ZDUSSCGKSA-N 288.391 1.825 0 50 CDAA N[C@H]1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1 237918841 CUMGATNQBIORHX-ZDUSSCGKSA-N 298.346 1.787 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)NCCc2cccnc2)CC1=O 92076958 TYQAHLKXYZOQCW-CYBMUJFWSA-N 289.379 1.387 0 50 CDAA CC[C@@H](C)Cc1nc(C2CCOCC2)nn1CC(=O)O 97425208 HQAUOUXOBYYGRK-SNVBAGLBSA-N 281.356 1.845 0 50 CDAA OCc1ccc2c(c1)CN(Cc1c[nH]cn1)CCO2 97288858 FXWZULYKRPFVLS-UHFFFAOYSA-N 259.309 1.297 0 50 CDAA CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(C(=O)O)c2)C1 236712443 BCULQEUQSVHENL-CYBMUJFWSA-N 290.319 1.126 0 50 CDAA Cc1nnc(NCCn2nc(C)c(Cl)c2C)o1 95356024 HHAUPVCZZFLFBO-UHFFFAOYSA-N 255.709 1.957 0 50 CDAA Cc1cnn(Cc2ncnn2-c2cccc(F)c2)c1 91829132 QWNLRELGDAJBAQ-UHFFFAOYSA-N 257.272 1.960 0 50 CDAA CN(CCCn1cnnn1)Cc1cccc2cccnc12 244647010 GTIKFTQZGGTNIL-UHFFFAOYSA-N 282.351 1.743 0 50 CDAA CCc1nccn1CCNC(=O)COC[C@@H]1CCCCO1 244884121 YFRGROWBIUIESY-ZDUSSCGKSA-N 295.383 1.147 0 50 CDAA O=S1(=O)[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5C1(SCCS1)[C@H]42 247360991 ZMQFNEUKWQFTQH-SDXZRKEPSA-N 286.443 1.470 0 50 CDAA COc1ccc(C(=O)N2CC[C@H](O)CC(C)(C)C2)nn1 622656905 OZWQDCDEMAXVAK-JTQLQIEISA-N 279.340 1.108 0 50 CDAA COc1ccnc(CN(C)[C@@H](C)Cc2cnccn2)c1 252482006 CWQOOUPTQOKBLE-LBPRGKRZSA-N 272.352 1.943 0 50 CDAA CCn1nnc(C)c1CNC(=O)c1coc(C2CCC2)n1 627870150 NJPPBMNRUSFFLH-UHFFFAOYSA-N 289.339 1.792 0 50 CDAA Cc1ccn2nc(C(=O)N3CCC[C@@H](N)C3)cc2c1 534662455 BRZDWAPSISNBHG-LLVKDONJSA-N 258.325 1.206 0 50 CDAA C[C@]1(CNC(=O)c2cnc(C3CC3)nc2)CCCO1 450083040 VLUVVRXKPKXIEG-CQSZACIVSA-N 261.325 1.653 0 50 CDAA Cc1occc(=O)c1OCC(=O)N1CC(CC(F)F)C1 823282008 ZASLTKDFECODNV-UHFFFAOYSA-N 287.262 1.441 0 50 CDAA Cc1nc(CCN(C)C(=O)[C@H](C)n2cc(Cl)cn2)no1 299794577 KWLAHKUGTPYPEA-QMMMGPOBSA-N 297.746 1.490 0 50 CDAA Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccnn2C)n1 825264437 LMQLYXWRUYUNBL-UHFFFAOYSA-N 299.256 1.467 0 50 CDAA CN(C)[C@H]1CCN(C(=O)CN2CCCCCC2)C1 823662618 DHWWLBGRRRCYNC-ZDUSSCGKSA-N 253.390 1.025 0 50 CDAA Cc1nncn1CCN(C)CC1(CO)CCCC1 828686778 VHTXCAWJNUUOCE-UHFFFAOYSA-N 252.362 1.071 0 50 CDAA Cc1cc(CN(C)C(=O)CN2CCCCCC2)on1 827887351 CLRDQEVFLDTQDW-UHFFFAOYSA-N 265.357 1.817 0 50 CDAA Cc1nc([C@@H](C)NC2CCN(C(=O)C3CC3)CC2)n[nH]1 827911262 QRJQWPXBVLBTTC-SECBINFHSA-N 277.372 1.165 0 50 CDAA CC[C@@H](C(=O)N(C)C)n1cnc2cccc(C)c2c1=O 584886493 GJMGIMUREVHEFF-LBPRGKRZSA-N 273.336 1.744 0 50 CDAA C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(C(=O)O)cc1 268961786 ZHJDUDOIYYRNQA-MFKMUULPSA-N 293.319 1.309 0 50 CDAA CC(C)C[C@@H](c1ncnn1C)n1cnc2cccnc2c1=O 584903863 WKEQKIOSDIUMHZ-LBPRGKRZSA-N 298.350 1.556 0 50 CDAA CC(C)CN1CCCN(C(=O)C[C@@H]2CCCOC2)CC1 584900181 RFXKONMUDRBAMV-HNNXBMFYSA-N 282.428 1.993 0 50 CDAA Cc1ncn(CCNC(=O)C2(Cn3ccnc3)CC2)c1C 670441829 WHLLDCVJNWYHRK-UHFFFAOYSA-N 287.367 1.293 0 50 CDAA CCc1noc(C[C@@](O)(c2nccn2C)C(F)(F)F)n1 1875339856 ANARQTXMSZLAJA-SNVBAGLBSA-N 290.245 1.358 0 50 CDAA COC[C@H]1CN(Cc2cc(C(=O)O)cs2)C[C@H](C)O1 872158808 IQLREPGRPXBSGP-GXSJLCMTSA-N 285.365 1.682 0 50 CDAA Cc1nsc(NC(=O)NCC(C)(C)C(N)=O)c1Cl 1875261320 OCGMXSIFUNANMM-UHFFFAOYSA-N 290.776 1.738 0 50 CDAA CCNC(=O)NC(=O)[C@H](SC[C@@H](C)O)c1ccccc1 1875265993 JIMYKSCEBOYELQ-ZYHUDNBSSA-N 296.392 1.687 0 50 CDAA COC1(C)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875293184 GCSKSNKGDNXSKG-DTWKUNHWSA-N 279.340 1.293 0 50 CDAA OC[C@H](Nc1cc(Cl)nc(C2CC2)n1)c1ncc[nH]1 952879561 JPKQNBOJQZSJFZ-QMMMGPOBSA-N 279.731 1.876 0 50 CDAA CC(=O)NCC(=O)N1C[C@H](c2ccccc2)CC1(C)C 885238885 IXMWMQOMCTYWMU-CQSZACIVSA-N 274.364 1.917 0 50 CDAA CCc1ncnc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)c1F 1775961595 LYGHAGKEVAMJAZ-SCZZXKLOSA-N 292.318 1.628 0 50 CDAA CCc1ccsc1C(=O)N1Cc2n[nH]cc2[C@@H]1C(N)=O 1775999137 QLGGYKFWYIBQIU-SNVBAGLBSA-N 290.348 1.216 0 50 CDAA O=C(O)c1cc2ccccc2n1Cc1nnnn1C1CC1 1776003564 XNBZYOQPQYJCAD-UHFFFAOYSA-N 283.291 1.709 0 50 CDAA COCCN(C)C(=O)Cc1c(C(=O)O)[nH]c2ccccc12 1776003417 NUULCDFLGUFGMQ-UHFFFAOYSA-N 290.319 1.513 0 50 CDAA CC1=N[C@@H](CCN(C)C)C(=O)Nc2ccc(F)cc21 1776006290 TYECTHNMYVUCHN-ZDUSSCGKSA-N 263.316 1.907 0 50 CDAA CN1CCN(C(=O)[C@H]2COc3ccccc3C2)CC1 19337279 MAGUWVWNVDJGJX-CYBMUJFWSA-N 260.337 1.012 0 50 CDAA O=C(CNC1CSCCSC1)N1CCCC1 1506406991 SXILLGMXRHGDDR-UHFFFAOYSA-N 260.428 1.047 0 50 CDAA CCOC(=O)C12CC(CN)(C1)O[C@@H]2c1ccccc1 1535644177 BQXWSFOGTYEDGA-LRVUVFPRSA-N 261.321 1.799 0 50 CDAA COc1nccc(CN[C@@H]2COCc3ccccc32)n1 579211732 LMEOAALKOFLJGX-CQSZACIVSA-N 271.320 1.846 0 50 CDAA Cc1nccc(N2CCN(c3ncc(Cl)cn3)CC2)n1 273459498 GJHLTINJKQZMDH-UHFFFAOYSA-N 290.758 1.555 0 50 CDAA Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)nn1 186698290 BJTFAJNRVLWIAT-UHFFFAOYSA-N 299.739 1.945 0 50 CDAA CCC[C@@H](C(=O)O)N1CCC[C@H](n2ccnn2)C1 581197115 VRHVHMMSJJJMKF-QWRGUYRKSA-N 252.318 1.168 0 50 CDAA O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCOC2(CCC2)C1 276040230 RTDWGBVCLTUBTK-NSHDSACASA-N 291.351 1.309 0 50 CDAA CCn1cc(NC(=O)Nc2ccc(OC)nc2OC)cn1 674279528 OHNRVXUIVKDRNL-UHFFFAOYSA-N 291.311 1.959 0 50 CDAA COCCOCCNC(=O)/C=C/COc1ccccc1 408518137 VNIBMISSQGWJNE-VMPITWQZSA-N 279.336 1.401 0 50 CDAA CC[C@H](C(=O)N[C@@H]1CCO[C@@H](C)C1)N1CCCC1=O 221703590 JWYBPLMXSHZIFD-QJPTWQEYSA-N 268.357 1.071 0 50 CDAA C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ncc(F)cc1F 277476447 ZPUMGECIEKHNMZ-ULCDLSAGSA-N 276.308 1.199 0 50 CDAA CC[C@@H](C)Oc1cc(C(=O)N2CC[C@](C)(O)C2)ccn1 170068081 NVGQHMCDFMWREU-ABAIWWIYSA-N 278.352 1.856 0 50 CDAA O=C([C@@H]1CCN1C1CCCC1)N1CC(OC(F)F)C1 635829610 IIMDVLKUPGHLIC-NSHDSACASA-N 274.311 1.453 0 50 CDAA CCOC(=O)CCN(C)C(=O)C1=C(C)OCCC1 170692547 NOULDPRGDMTVHX-UHFFFAOYSA-N 255.314 1.482 0 50 CDAA CC(C)c1nnc(N[C@H](C)Cn2cncn2)s1 170604170 NMYMWLAQPTUDGC-MRVPVSSYSA-N 252.347 1.754 0 50 CDAA COC(=O)c1ccccc1Cn1cc(CO)c(C)n1 585123169 ZFHZDTJSPUSJDG-UHFFFAOYSA-N 260.293 1.519 0 50 CDAA O=C(CCc1c[nH]cn1)N[C@@H]1CCOc2ccccc21 188878266 WAELXGVBXXKLEX-CYBMUJFWSA-N 271.320 1.982 0 50 CDAA CC(C)(C)c1noc(CCCCCS(N)(=O)=O)n1 585133780 UWQBMWMKVYONEG-UHFFFAOYSA-N 275.374 1.368 0 50 CDAA CCN1CCCN(Cc2ccn(-c3ccccc3)n2)CC1=O 190205510 LRLIBNXXLOSSGA-UHFFFAOYSA-N 298.390 1.927 0 50 CDAA C[C@@](O)(CNC(=O)N[C@H]1CC[C@H](O)CC1)c1ccsc1 753717472 FSZYFXLVZFYBJG-YRGRVCCFSA-N 298.408 1.558 0 50 CDAA O=C(c1ccoc1Cl)N1CCN(c2cnccn2)CC1 192396096 INJFWIGAIGXZOH-UHFFFAOYSA-N 292.726 1.685 0 50 CDAA O=C(N[C@@H]1CCc2n[nH]cc2C1)c1ccnn1C(F)F 668746158 WZQSBUFIVFSYIJ-MRVPVSSYSA-N 281.266 1.289 0 50 CDAA COc1ccc(-n2cccc2/C=C2/NC(=O)NC2=O)cc1 72223 QJIPSXCMWGTUMC-UKTHLTGXSA-N 283.287 1.666 0 50 CDAA CCN1CCC[C@@H](CN(C)c2nc(C(=O)O)co2)C1 1529098858 MVVIMXKEZCVLJI-JTQLQIEISA-N 267.329 1.541 0 50 CDAA Cc1nc(N2CCCC2)nc(N2CC(=O)N[C@H](C)C2)c1C 1704307354 XTELGEYJPMFQFN-SNVBAGLBSA-N 289.383 1.018 0 50 CDAA CCCCNC(=O)C(=O)Nc1cccc(OC)c1 2992216 RWMBSDYEJAWARM-UHFFFAOYSA-N 250.298 1.550 0 50 CDAA CCC[C@]1(C(=O)O)CCN(Cc2scnc2C)C[C@@H]1O 1704330508 XKTOFAULXBPLPB-JSGCOSHPSA-N 298.408 1.889 0 50 CDAA CN(C)c1ccnc(N[C@H]2COC[C@H]2Cc2ccncc2)n1 1704338717 YEEXJJSDFDHASS-KGLIPLIRSA-N 299.378 1.607 0 50 CDAA Cc1cnnc(N2CCC3(CCC(=O)N3)CC2)c1C 1857677629 KRIRTDIVYPUVRL-UHFFFAOYSA-N 260.341 1.342 0 50 CDAA CC1=NN(c2ccc(C(=O)NCC(=O)O)cc2)CC1 236654153 WZTPJULYABQVMC-UHFFFAOYSA-N 261.281 1.087 0 50 CDAA CCN(Cc1cccc(C)c1)C(=O)N[C@H]1[C@@H]2CNC[C@@H]21 1614995314 RHPKJYHNHRZOLN-FICVDOATSA-N 273.380 1.744 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)Cc1cccc(F)c1F 1615695162 YGTQFOUTJOVKHP-JQWIXIFHSA-N 294.301 1.444 0 50 CDAA CCc1cccc(C(=O)N(C)Cc2nccn2C)n1 449164331 YTUCNVWNBITOMF-UHFFFAOYSA-N 258.325 1.650 0 50 CDAA C[C@@H]1C[C@H](CNC(=O)N2C[C@H](F)[C@H](F)C2)CCO1 1615572300 RSTZSDBIKCVQHM-DBIOUOCHSA-N 262.300 1.503 0 50 CDAA CCCN(C)C[C@H]1CCN(c2nc(Cl)ncc2N)C1 1616039156 XRIICSROLSDNIL-SNVBAGLBSA-N 283.807 1.880 0 50 CDAA COc1ccc(F)cc1CC(=O)NC1([C@H]2CCNC2)CC1 1616035943 JNIMIWYTEJDDQX-LBPRGKRZSA-N 292.354 1.635 0 50 CDAA COC(=O)N1CC[C@@H](C(F)(F)F)C[C@@H]1C(=O)O 1616039498 PAGNRQTXALWEJU-PHDIDXHHSA-N 255.192 1.480 0 50 CDAA NCC1(O)CCN(C[C@@H]2CC3CCC2CC3)CC1 691688389 YKKUORRJMZPBDV-RUXDESIVSA-N 252.402 1.598 0 50 CDAA O=C(NCc1cccn2nccc12)c1cnccn1 1772804117 GMHDZGXHSFXKRS-UHFFFAOYSA-N 253.265 1.054 0 50 CDAA CN(C)C(=O)c1cncc(NCc2[nH]nc3ncccc23)n1 1772811269 RSGIQJCDKFIANQ-UHFFFAOYSA-N 297.322 1.062 0 50 CDAA Cc1ncccc1C(=O)NCc1cccn2nccc12 1775980264 WTIUEMFHQDHYCU-UHFFFAOYSA-N 266.304 1.968 0 50 CDAA CN(C)CC[C@H]1CN(C(=O)COc2ccccc2)CCO1 11934235 BTBBPBYMGHFYCJ-HNNXBMFYSA-N 292.379 1.245 0 50 CDAA CC(C)NC(=O)c1cccc(NC(=O)CCC(=O)O)c1 12138884 ZNEMYADOXLRHOE-UHFFFAOYSA-N 278.308 1.628 0 50 CDAA CC[C@@H](C(=O)NC(C)C)N(c1ccccc1)S(C)(=O)=O 13710929 OFDZLQGQNHKEGA-ZDUSSCGKSA-N 298.408 1.756 0 50 CDAA Cc1ccsc1CCNC(=O)[C@@H]1CCCN1C(N)=O 19227239 ZDRHWNHVPYESJY-JTQLQIEISA-N 281.381 1.258 0 50 CDAA COCCN(C)C(=O)c1ccccc1-n1cccn1 19762213 AINLKYHBPWKOBE-UHFFFAOYSA-N 259.309 1.591 0 50 CDAA Cc1cc(C)cc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169363739 HZGCKDDXNQCAME-MQYQWHSLSA-N 287.315 1.896 0 50 CDAA c1ccn2c(N3CC[C@@H]4NCCC[C@@H]4C3)nnc2c1 1857674169 VMUMUQDXJAQOPB-NEPJUHHUSA-N 257.341 1.308 0 50 CDAA Cc1nn(C)c2c1[C@H](NC(=O)c1cccn1C)CCC2 1857682865 UONICCHVZRPIRH-LLVKDONJSA-N 272.352 1.874 0 50 CDAA CO[C@H](C)C(=O)N1CCC(c2ncc(C(=O)O)s2)CC1 630244604 BEIFOGXEIMCIDC-MRVPVSSYSA-N 298.364 1.582 0 50 CDAA N=c1ncc(-c2ccc([C@@H]3CNC(=O)C3)cc2)c[nH]1 1875251319 XVVRTJYBERHNOK-NSHDSACASA-N 254.293 1.160 0 50 CDAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1nc[nH]n1 631318208 MDLXFYWLKGDPSH-DGCLKSJQSA-N 270.336 1.752 0 50 CDAA Cc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)no1 331657108 SMAKUIIDSKSAMP-NEPJUHHUSA-N 291.282 1.465 0 50 CDAA CO[C@@H]1Cc2ccccc2N(C(=O)CN2CCCC2=O)C1 240886252 IOGKBOFIJVBSGK-CYBMUJFWSA-N 288.347 1.213 0 50 CDAA CCOC1(C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)CCCC1 252480252 BZAZNANGABXAAL-NEPJUHHUSA-N 282.384 1.496 0 50 CDAA O=C(CCCn1cncn1)N[C@@H]1CCCCC[C@@H]1C(=O)O 252550356 SLRHYALUWYSIBG-NWDGAFQWSA-N 294.355 1.208 0 50 CDAA COc1cc(CN2C[C@H](CO)Oc3ccccc32)ccn1 367117037 KLKJHMCKOLVMEW-CYBMUJFWSA-N 286.331 1.850 0 50 CDAA O=C(NCc1ncc2c(n1)CCC2)[C@@H](F)C(F)(F)F 909680499 PKONRUKOFFMAMN-SECBINFHSA-N 277.221 1.482 0 50 CDAA COc1cc(NC(=O)c2ccc(OC(F)F)nc2)nn1C 935452872 LYXOSQFFRYQQJJ-UHFFFAOYSA-N 298.249 1.677 0 50 CDAA COc1ccc(C[C@@H](C)N[C@H]2CCCCNC2=O)cc1 4022532 WWPLVGJTGXDBAY-DOMZBBRYSA-N 276.380 1.885 0 50 CDAA CO[C@@H]1CN(C(=O)Cc2cccc(N)c2)CC[C@@H]1C 230211793 HFPJDQPCMOWZHO-SMDDNHRTSA-N 262.353 1.695 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)O)c1 236854288 KOIAHTVHJQYAHF-NWDGAFQWSA-N 263.293 1.426 0 50 CDAA CNC[C@H]1CCCN1C(=O)Cc1csc(C)n1 237233652 BYFGPTURFLCPRD-LLVKDONJSA-N 253.371 1.204 0 50 CDAA C[C@H](O)C[C@H]1CCCCN1C(=O)Cc1cnn(C)c1 279764661 MFZYDZLNRFUWLS-WCQYABFASA-N 265.357 1.115 0 50 CDAA Cc1ccc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)O)C2)c(O)c1 710162741 GLXNERGSQVTPGX-BONVTDFDSA-N 277.320 1.883 0 50 CDAA CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)N[C@H]3C2(Cl)Cl 309538902 GIVOSROXPRXLJK-BHNWBGBOSA-N 284.208 1.898 0 50 CDAA O[C@H]1CN(CC2=CCCCC2)C[C@@H]1N1CCCC1 670465063 KCFVKDZYLFJKDE-GJZGRUSLSA-N 250.386 1.628 0 50 CDAA O=C1CC[C@@H](CCNC(=O)c2ccc3ncccc3c2)CN1 2325802285 XBHMVICIDPZBOX-LBPRGKRZSA-N 297.358 1.881 0 50 CDAA CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(O)C2)cn1 860014914 HGZNLVIVBJUTAI-UHFFFAOYSA-N 293.323 1.245 0 50 CDAA CC1(C)C[C@H]1C(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 868694133 WINMYSDWPYCXQI-ONGXEEELSA-N 276.340 1.243 0 50 CDAA CCC1(C(=O)N[C@@H](c2ncccn2)C2CC2)COC1 906235039 ZMFIWFPTADCHAZ-LLVKDONJSA-N 261.325 1.471 0 50 CDAA COc1ccc(NC(=O)CSC2=NCCN2)cc1 141881 AQWFCAOIKADLPX-UHFFFAOYSA-N 265.338 1.326 0 50 CDAA Cn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O 206332 FMBIQRHDCJYRLS-UHFFFAOYSA-N 255.277 1.028 0 50 CDAA CC1=CN(C2=NS(=O)(=O)c3ccccc32)[C@](C)(O)C1 380445 OCOWUBGAMQENML-CYBMUJFWSA-N 278.333 1.454 0 50 CDAA COc1ccccc1CC(=O)Nc1ccccc1C(N)=O 441685 PELUTWCKCZBFGN-UHFFFAOYSA-N 284.315 1.975 0 50 CDAA biogenic O=C(NCC1CCN(C(=O)C2CC2)CC1)C1CC1 474206 CTFRGAFXFLWYJK-UHFFFAOYSA-N 250.342 1.161 0 50 CDAA CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1995809 IWUMZEUJTOEUIF-AATRIKPKSA-N 251.282 1.472 0 50 CDAA CC[C@@H](C)NC(=O)NS(=O)(=O)c1ccc(C)cc1 2160055 VDSCMEDRYAYLSF-SNVBAGLBSA-N 270.354 1.781 0 50 CDAA O=C1NC(=S)NC(=O)C1CCCC=C(Cl)Cl 2951191 JLJIDDWXPYAYET-UHFFFAOYSA-N 281.164 1.623 0 50 CDAA COC(=O)c1ccc(OC[C@H](O)CNC(C)(C)C)cc1 4279619 SZAYMQLNVXIKNC-GFCCVEGCSA-N 281.352 1.601 0 50 CDAA CCCCNC(=O)c1ccccc1NC(=O)COC 4740559 QBIIKVIBFPSYHE-UHFFFAOYSA-N 264.325 1.801 0 50 CDAA O[C@@H](COc1ccccc1)CSc1ncn[nH]1 6492417 XBRHTSGLTMDDHF-VIFPVBQESA-N 251.311 1.337 0 50 CDAA CC[C@H](CO)NCc1cc(OC)c(OC)c(OC)c1 6702954 WSGWOFSWORQFQN-LLVKDONJSA-N 269.341 1.573 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc(-c2cc[nH]n2)o1 343870078 KOGJUQCLLDHUDX-WCQYABFASA-N 291.351 1.905 0 50 CDAA 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0 50 CDAA N=c1[nH]cncc1CNC(=O)c1cc(-n2cccc2)ccn1 355038664 BHXSTYBRFCASMU-UHFFFAOYSA-N 294.318 1.005 0 50 CDAA COc1ccc(Cl)cc1N1C(=O)CN(C)C1=O 328595536 XWOONOVGYCTEAY-UHFFFAOYSA-N 254.673 1.747 0 50 CDAA CCN1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 34737551 SOXJSLQLODCEKC-UHFFFAOYSA-N 296.436 1.938 0 50 CDAA COc1ccc2c(c1)OC[C@H](NC(=O)Cc1ccncc1)C2 253425298 AJXRIFSJODZKIZ-CQSZACIVSA-N 298.342 1.753 0 50 CDAA COc1c([C@@H]2CCCN2[C@H]2C[C@H](C)OC2=O)c(C)nn1C 257365382 UKFWRTZHHSXRBE-DLOVCJGASA-N 293.367 1.578 0 50 CDAA C[C@@H]1OCC[C@H]1[S@@](=O)Cc1ncnn1C(C)(C)C 328841212 ZKEGYKTTZWFLLC-VOQFUICPSA-N 271.386 1.459 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)Cn1cc(C)cn1 253601378 QVVFUQDRWQXYRW-HUUCEWRRSA-N 290.411 1.667 0 50 CDAA Cc1cccnc1C1(CNC(=O)[C@]2(O)CCSC2)CC1 366491884 SPQPSCKESMKMAC-HNNXBMFYSA-N 292.404 1.406 0 50 CDAA COC[C@@H](C)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 124113009 ZZDKSZZJIOIJHA-LLVKDONJSA-N 288.351 1.726 0 50 CDAA Cc1cc(S(=O)(=O)NC[C@H](C)O)c(Cl)cc1Cl 33582139 ZSVWLNHUJVBDFI-ZETCQYMHSA-N 298.191 1.961 0 50 CDAA COC[C@]1(C(=O)O)CCN(C(=O)C2(C)CCCC2)C1 261573044 AOWCMHLQLSFMQY-AWEZNQCLSA-N 269.341 1.516 0 50 CDAA OC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)CC1 72132111 HQAYHBQYEFQQKI-AWEZNQCLSA-N 271.307 1.674 0 50 CDAA COc1cc(C)nc(N2CCC[C@@H](c3nc(O)n[nH]3)C2)n1 377411926 KAWVPQOEZBLPKJ-SECBINFHSA-N 290.327 1.001 0 50 CDAA Cn1cc(N2CC[C@H](Nc3ncnc(N)c3Cl)C2)cn1 370490917 IXSHYPICDWNONP-QMMMGPOBSA-N 293.762 1.137 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2ccc(C)s2)n[nH]1 215772128 HURASXHMUKTHMA-ZETCQYMHSA-N 250.327 1.974 0 50 CDAA C[C@H](NC(=O)N1CC[C@H](C2CC2)C1)c1ncn(C)n1 333357327 SWMGKIPOQHROMW-ONGXEEELSA-N 263.345 1.318 0 50 CDAA CO[C@@H]1C[C@@H](NC(=O)/C=C/CN(C)C)C12CCC2 493088589 RYKMVEQSDOKZGW-WBIIUDBISA-N 252.358 1.178 0 50 CDAA O[C@H](Cn1ccnc1-c1ccncc1)C(F)(F)F 158288701 KVWZGAQPAYGBNK-SECBINFHSA-N 257.215 1.868 0 50 CDAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1C[C@H]1C(=O)O 262565713 BITSJCMKNIQIGP-CHWSQXEVSA-N 286.331 1.856 0 50 CDAA COc1ccc(F)cc1C(=O)N1C[C@H](C)[S@@](=O)[C@H](C)C1 334188961 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1.368 0 50 CDAA CCc1cc(O)nc(CN2CCO[C@H](C3CC3)C2)n1 364401988 WOWTXXHBTRYJDQ-LBPRGKRZSA-N 263.341 1.355 0 50 CDAA O=C1N[C@@H](C(=O)Nc2cccc(C(=O)C3CC3)c2)CO1 2325766633 KNCNEYJFORYFIU-LLVKDONJSA-N 274.276 1.326 0 50 CDAA O=C(NC[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)Nc1nccs1 2325777563 LKYFLMCPRPRFLE-CVPUBMOQSA-N 265.338 1.688 0 50 CDAA C[C@@H]1C[C@H](C(=O)NCC[C@@H]2C[C@H]2C2CC2)CC(=O)N1 2325792534 NYQWLVVSMDGVOJ-XEZLXBQYSA-N 264.369 1.454 0 50 CDAA C=CC(=O)N1CCN([C@H]2CCOC3(CCC3)C2)CC1 2325899904 CYLCMSQNBJFTLP-ZDUSSCGKSA-N 264.369 1.418 0 50 CDAA O=C(N[C@@H]1CN2CCC1CC2)c1n[nH]c2ccccc12 34057058 TXCYUSKWBHUVEP-CYBMUJFWSA-N 270.336 1.387 0 50 CDAA investigational O=C(O)CS(=O)(=O)c1ccc2ccccc2c1 191558 MKHDCRVCMRBIRI-UHFFFAOYSA-N 250.275 1.698 0 50 CDAA COc1ccc(Cc2nc3c4cnn(C)c4ncn3n2)cc1 206079 PLFDMJSNBUMSQB-UHFFFAOYSA-N 294.318 1.610 0 50 CDAA COc1ccc(CC(=O)NCc2ccncc2)cc1 300513 DLNIEGNAQICQGT-UHFFFAOYSA-N 256.305 1.949 0 50 CDAA COC(=O)c1cc(Br)c(OC)cc1O 730521 WLCVGKZBHDBQJN-UHFFFAOYSA-N 261.071 1.950 0 50 CDAA CCOC(=O)CSC(=S)SCC(=O)OCC 1729221 LDKHUJCVRLCAMA-UHFFFAOYSA-N 282.408 1.864 0 50 CDAA CCCN1Cc2nnc(-c3cnn(CC)c3)n2[C@@H](C)C1=O 2356157128 BCCOQTXWFKJXLR-JTQLQIEISA-N 288.355 1.475 0 50 CDAA CCCN1Cc2nnc(-c3[nH]cnc3C)n2[C@H](C)C1=O 2356162058 VUOUXBMBVKBNNY-SECBINFHSA-N 274.328 1.290 0 50 CDAA CCn1cc(CN(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)cn1 2356166908 OFLATOSAPALROU-ZNMIVQPWSA-N 290.411 1.592 0 50 CDAA CC1=NN(C(=O)c2cccnc2)[C@](O)(C(F)(F)F)C1 4009253 PFIIIJQSOZINKZ-SNVBAGLBSA-N 273.214 1.554 0 50 CDAA COC(=O)COc1ccc2cccc(-n3cnnn3)c2c1 4512149 HAWQMLKDYFIFPF-UHFFFAOYSA-N 284.275 1.367 0 50 CDAA CN1CCC(Cc2noc(COc3cccnc3)n2)CC1 67562257 UAQYJWBPBFZWBF-UHFFFAOYSA-N 288.351 1.928 0 50 CDAA CCC[C@@H](C)c1nnc(NC(=O)Cc2n[nH]c(=O)[nH]2)s1 55575841 ODAMUIKUQLLGGX-ZCFIWIBFSA-N 296.356 1.034 0 50 CDAA Cn1cc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)cn1 20913456 KIZTXNCXFVTRRP-GFCCVEGCSA-N 284.319 1.162 0 50 CDAA Cc1[nH]c2ncnn2c(=O)c1Cc1cccc(Cl)c1 100137501 DNNMTBLZBYPHPY-UHFFFAOYSA-N 274.711 1.970 0 50 CDAA CC[C@H](C)[C@@H](O)C(=O)NCCc1cccc(OC)c1 344324505 NZQHFHIWWUYYIN-SMDDNHRTSA-N 265.353 1.761 0 50 CDAA C[C@@H]1CN([C@H]2CCOC2=O)C[C@@H](C)N1C(=O)OC(C)(C)C 247094293 UKRNQJAXTPYKRI-UTUOFQBUSA-N 298.383 1.632 0 50 CDAA CCc1cccc(OCCN2C[C@@H](OC)C[C@H]2CO)c1 344736369 ZGAVRVGRWCKQLC-HOCLYGCPSA-N 279.380 1.709 0 50 CDAA Cc1ccc(OCC(N)=O)c(-n2cnc3c(C)ncnc32)c1 65527866 DLAWCVKSYLXFSM-UHFFFAOYSA-N 297.318 1.296 0 50 CDAA CC(C)[C@@H](CC(=O)O)NC(=O)Cc1cccc(O)c1 136231525 QYIRZGSUZWRXPT-GFCCVEGCSA-N 265.309 1.550 0 50 CDAA Cc1ccccc1S(=O)(=O)N1CCC[C@@](C)(O)C1 118992585 RVMUTHMKKNIEDZ-CYBMUJFWSA-N 269.366 1.531 0 50 CDAA Cn1c([C@H](O)CC(=O)O)nc2ccc(Cl)cc21 64874491 USFDHSIEECKVPR-SECBINFHSA-N 254.673 1.735 0 50 CDAA Cc1nnc(CN(C)C(=O)CCN2CCC[C@@H](C)C2)o1 20862033 JHHICFDDYBTDCX-LLVKDONJSA-N 280.372 1.458 0 50 CDAA CN(CCO)C(=O)c1cc(COc2ccccc2F)[nH]n1 67954523 IPAAVBGLTVMMIE-UHFFFAOYSA-N 293.298 1.192 0 50 CDAA COC(=O)C1(C)CN(Cc2ccc(N3CCCC3)nc2)C1 425371566 HHAXNAQQTRMOMW-UHFFFAOYSA-N 289.379 1.677 0 50 CDAA CCOC(=O)N1CCC(NCCNc2cccnc2)CC1 65403385 SFTRAAVGSRQBBY-UHFFFAOYSA-N 292.383 1.704 0 50 CDAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC(C)(O)C1 331741951 AZZJADCYRSZHOF-UHFFFAOYSA-N 279.384 1.292 0 50 CDAA Cc1cc(C(=O)N2CCNC[C@@H]2C)nc2ccccc12 126252058 SECXCJMTDXCHOX-LBPRGKRZSA-N 269.348 1.977 0 50 CDAA Cn1[nH]cc2/c(=N/C(=O)[C@H]3COc4ccccc43)ccnc1-2 253393275 XXAGZDKBFWSGAA-NHLWYUBBSA-N 294.314 1.457 0 50 CDAA Cc1c(F)cccc1NS(=O)(=O)N1CCCC1 30952856 HZNIAMDPJMVPHB-UHFFFAOYSA-N 258.318 1.887 0 50 CDAA COCCCN(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 434972302 GCSUOYYDZHOOGJ-KBPBESRZSA-N 296.390 1.357 0 50 CDAA CSc1ccc(CC(=O)NCc2n[nH]c(C)n2)cc1 214968023 DULQZEJRVGGALX-UHFFFAOYSA-N 276.365 1.694 0 50 CDAA C[C@H](C1CCN(Cc2cccnc2N)CC1)N(C)C 77390745 VPSUNOLKFNUUEK-GFCCVEGCSA-N 262.401 1.826 0 50 CDAA Cc1nnc(C(=O)N2CCC[C@@H](OCC3CC3)C2)s1 330251259 HNLPVYUYIJLWMJ-LLVKDONJSA-N 281.381 1.878 0 50 CDAA Fc1cccnc1N1CC[C@H](Nc2cnccn2)C1 153563748 HQQRNQIOUJOKIV-JTQLQIEISA-N 259.288 1.702 0 50 CDAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@@H]1CCCN1 153560517 GLUXHDHYSWHQBV-NWDGAFQWSA-N 268.744 1.242 0 50 CDAA CC(C)(O)CCN1CCc2c(nnn2-c2ccccc2)C1 366628579 OZUNEONGMQSEHA-UHFFFAOYSA-N 286.379 1.786 0 50 CDAA CC(=O)Nc1cccnc1NC(=O)[C@@H]1CCCOCC1 377467509 GFFZMWNYOHYINC-LLVKDONJSA-N 277.324 1.795 0 50 CDAA CCN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1C(C)=O 286634828 ZODDITWUTGNAML-HNNXBMFYSA-N 289.379 1.831 0 50 CDAA CNC[C@@H]1CCCN1C(=O)Cc1ccc(C)s1 237094473 WYSOBQUILHTKOC-NSHDSACASA-N 252.383 1.809 0 50 CDAA CNCCC(=O)N1CCOC[C@H]1Cc1ccccc1 262223752 PKFHHNWRZZVUIL-CQSZACIVSA-N 262.353 1.066 0 50 CDAA CN(CCn1cccn1)C(=O)c1cccc(-n2cnnc2)c1 215664968 MRTDSXDPWHROTJ-UHFFFAOYSA-N 296.334 1.236 0 50 CDAA Cc1cc(F)cc(Br)c1S(N)(=O)=O 36533133 FKDCRYPJMKXXGG-UHFFFAOYSA-N 268.107 1.544 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ccc3cn[nH]c3c2)C1 284667091 WTCAYVSKUPEJRY-OCCSQVGLSA-N 298.350 1.643 0 50 CDAA CN(CC(=O)N1CCC[C@H](CCC(=O)O)C1)C1CCCC1 426716993 OIMRELNTZMKDTG-CYBMUJFWSA-N 296.411 1.964 0 50 CDAA COCc1cccc(CC(=O)N2CC[C@](F)(C(=O)O)C2)c1 263512609 CUSIPRWTOTWXQG-OAHLLOKOSA-N 295.310 1.401 0 50 CDAA O=C(NC[C@@H]1CCCOC1)c1cccc(F)c1O 220086674 BMPXAMVBAKPQOA-VIFPVBQESA-N 253.273 1.688 0 50 CDAA Cc1cnccc1NCCNC(=O)c1c(C)noc1C 223598934 JEDWDFMNSWNTEY-UHFFFAOYSA-N 274.324 1.837 0 50 CDAA Cc1ccc2c(c1)CCN2C(=O)CCn1cnccc1=O 293203989 PBHLUOQMUFOWJL-UHFFFAOYSA-N 283.331 1.531 0 50 CDAA c1nc([C@H]2CCOC2)cc(=NCC2CCOCC2)[nH]1 426578586 LDTPZDXMNGAPOF-LBPRGKRZSA-N 263.341 1.241 0 50 CDAA CCc1ccccc1C(=O)N1CCOC[C@@H]1C(=O)O 161746125 FJEYCGLQVJBVDT-GFCCVEGCSA-N 263.293 1.175 0 50 CDAA CC(=O)c1cc(CC(=O)N[C@@H]2CCCCNC2=O)cs1 97772683 KVDQGRUJHYKFQO-LLVKDONJSA-N 294.376 1.278 0 50 CDAA CCn1ncc(CN(C)C(=O)[C@@H](C)n2ccnc2C)c1C 426618474 YCEGLFDNXGWPQP-GFCCVEGCSA-N 289.383 1.936 0 50 CDAA CCCn1cc(C(=O)NCc2cnn3cccnc23)c(C)n1 91462275 GWGZLJSMNJIZEU-UHFFFAOYSA-N 298.350 1.574 0 50 CDAA CC(C)n1nccc1NC(=O)N1CCO[C@@H](CF)C1 334871539 IESROETWOVDJJU-JTQLQIEISA-N 270.308 1.666 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)CCO1 238193707 VUMWGTRTXIVEQE-LLVKDONJSA-N 299.273 1.209 0 50 CDAA Cc1nc(C)c(C)c(N2CC[C@@]3(CCN(C)C3)C2)n1 95360271 PVSSIRAMKSKHEQ-OAHLLOKOSA-N 260.385 1.934 0 50 CDAA O=C(CCc1ccncn1)N1CCO[C@@H](C2CCC2)C1 622700040 BKVGDQOPKLWIDD-CQSZACIVSA-N 275.352 1.437 0 50 CDAA O=C(NCC1(CO)CCC1)Nc1ccc2cn[nH]c2c1 244778717 PVEIEMGORVVODL-UHFFFAOYSA-N 274.324 1.847 0 50 CDAA O=C(c1cncc(F)c1)N1CCN(c2cccnc2)CC1 244584358 CXRUMRDRZWCMHF-UHFFFAOYSA-N 286.310 1.578 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@@H]3CC(=O)[C@H]3C2)cc1 242554693 MTXWWLRSSOSHIC-JQWIXIFHSA-N 265.334 1.205 0 50 CDAA C[C@@H](CN1CCN(c2cccc(O)c2)CC1)N1CCCC1 252479837 BNQDJADHHGCSSS-HNNXBMFYSA-N 289.423 1.999 0 50 CDAA C[C@H]1C[C@H](C)CN(CCN[C@@H]2CCO[C@H]2c2cc[nH]n2)C1 625587575 GWNCSKGSCCZEOO-TTZDDIAXSA-N 292.427 1.807 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCC1(c2cccc(F)c2)CC1 299752882 VWPBQOUNCASQHS-NEPJUHHUSA-N 277.295 1.694 0 50 CDAA CCN(C)C(=O)CNC(=O)c1csc(-c2ccoc2)n1 184530178 STVUWSYWDJHVRO-UHFFFAOYSA-N 293.348 1.611 0 50 CDAA CC1=C[C@H]2[C@@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 253591374 MTLZTPKNVYBKCV-KBUPBQIOSA-N 293.326 1.659 0 50 CDAA O=C(NCCc1nccc(-c2ccccc2)n1)[C@H]1C=CCN1 534667753 IDZHJSXQTJIJHZ-OAHLLOKOSA-N 294.358 1.330 0 50 CDAA Cc1ccnc([C@H](NC(=O)CN2CCCC2=O)C2CC2)c1 534647900 OZCQAIXHDLHCMU-MRXNPFEDSA-N 287.363 1.580 0 50 CDAA CC(C)(N)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 262664774 IUKUCQWJDININA-UHFFFAOYSA-N 262.313 1.106 0 50 CDAA CCN(CC)C[C@H](C)NCc1cccc(CO)c1 534649999 HFOGTANLVBJBMY-ZDUSSCGKSA-N 250.386 1.999 0 50 CDAA COc1ccc(N2C[C@@H](NC(=O)OC(C)C)CC2=O)cc1 263617740 PKEFVDPCNLLOQC-NSHDSACASA-N 292.335 1.935 0 50 CDAA O=C(NC1(C(=O)O)CCCC1)c1nc2ccccc2[nH]1 299769557 SKADUOSFQDISGG-UHFFFAOYSA-N 273.292 1.690 0 50 CDAA Cc1ccc(NC(=O)[C@@H](N)COC(C)C)c(C)n1 659251429 FWOHRULILOINAS-NSHDSACASA-N 251.330 1.389 0 50 CDAA CC[C@H](C(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N(C)CC 822551423 KFALHNYTMLEXKB-JXDCTMMDSA-N 294.439 1.917 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)Cn1cccc1 584896307 YVMSETMGWIQIPD-NSHDSACASA-N 261.329 1.367 0 50 CDAA O=C(O)COCCNC(=O)[C@H]1CCCc2c(O)cccc21 585134038 BDSRVJBRMROSHH-LBPRGKRZSA-N 293.319 1.030 0 50 CDAA Cc1cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)ccc1F 584903908 XESYHTQACDBLBX-KBPBESRZSA-N 281.327 1.744 0 50 CDAA COc1ccc2ncn(C[C@@H]3CCN(C4CC4)C3)c(=O)c2c1 584888607 FACGVPWHDQQTPB-GFCCVEGCSA-N 299.374 1.889 0 50 CDAA CSC[C@H]1CCCN(C(=O)c2cncnc2O)C1 584903965 WSSFPNNPADGVJB-VIFPVBQESA-N 267.354 1.397 0 50 CDAA Cc1cccc(C2(NC(=O)N(C)CC(N)=O)CC2)c1 584889631 PDDXWSLWJCPIEL-UHFFFAOYSA-N 261.325 1.111 0 50 CDAA Nc1c[nH]nc1[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 864376385 XTTMJPTYFKXQEO-LLVKDONJSA-N 288.326 1.690 0 50 CDAA O=C(c1nc[nH]n1)N1CC[C@@H](Cc2ccc(F)cc2)C1 269575783 VDKQVMZYCKDGCA-NSHDSACASA-N 274.299 1.649 0 50 CDAA NC(=O)CCn1c(-c2ccccc2Cl)noc1=O 1875391589 FOVXVCYMMISYSG-UHFFFAOYSA-N 267.672 1.032 0 50 CDAA O=S(=O)(NCc1nccs1)C1(C(F)F)CC1 1875288655 SNOLBIOWANRPMK-UHFFFAOYSA-N 268.310 1.360 0 50 CDAA C[C@@H](NC1CCN(c2cccnn2)CC1)c1cnc[nH]1 1875285027 ALKAWRKJDDZPLL-LLVKDONJSA-N 272.356 1.519 0 50 CDAA CN1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1ccc2[nH]ccc2n1 1875298330 XKHZBIPRMWAZJG-BFVZDQMLSA-N 270.336 1.385 0 50 CDAA C[C@H]1C[C@H]1S(=O)(=O)NC(=O)c1coc(C2CCC2)n1 1875285758 YJKBYBWUNNNWSL-OIBJUYFYSA-N 284.337 1.410 0 50 CDAA Cc1cc(CN[C@@H](CO)Cc2cccs2)n[nH]1 1875284034 LAECNEONPXAOGF-LLVKDONJSA-N 251.355 1.473 0 50 CDAA O=C(CCc1cscn1)N1CC[C@@H](c2cc[nH]n2)C1 1875286506 USCDEABFPVDZBN-SNVBAGLBSA-N 276.365 1.815 0 50 CDAA Cc1ccc(CNc2ccc(CO)c(CO)c2)nc1 1875284176 PKRXQAJEUBAUPI-UHFFFAOYSA-N 258.321 1.987 0 50 CDAA CO[C@@H]1COc2ccccc2[C@H]1NC(=O)N[C@H]1CCOC1 1875288950 MSDQJUSAPPNUNN-ZLKJLUDKSA-N 292.335 1.223 0 50 CDAA CC(C)Oc1ccc(NC(=O)/C=C/S(C)(=O)=O)cc1 1875365028 MIQZPIITZYQDEF-CMDGGOBGSA-N 283.349 1.971 0 50 CDAA CC[C@@H](C)CN1CCC(O)(c2ccnn2C)CC1 952882498 RMZWHQLKYFISQZ-GFCCVEGCSA-N 251.374 1.750 0 50 CDAA Cc1nc[nH]c1C(=O)NC[C@H]1Cc2ccccc2CN1 877338633 JHYUDHFUTDQESW-CYBMUJFWSA-N 270.336 1.162 0 50 CDAA O=C1C[C@H](CNc2cnccn2)CN1C1CCCC1 952985168 POSPLFGEXBWROG-LLVKDONJSA-N 260.341 1.680 0 50 CDAA CC1=C(C(=O)N[C@@H]2CCc3ccccc3C2)OCCO1 952991852 UBWFWQYRNUXYHQ-CQSZACIVSA-N 273.332 1.938 0 50 CDAA CCc1nccn1CCNC(=O)[C@@H]1CCCCCN1C 952977588 IXGZGNVQJFBHCM-ZDUSSCGKSA-N 278.400 1.436 0 50 CDAA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N 72187475 ORRVKLSXTZZGJV-NXEZZACHSA-N 272.345 1.134 0 50 CDAA in-vitro CCNC(=O)c1ccc(NC(=O)[C@@H]2C=CCN2)cc1Cl 952966416 ITIBETBCTWVCJL-LBPRGKRZSA-N 293.754 1.556 0 50 CDAA C=CC(=O)N1C[C@@H]2CN(C)[C@@H](c3ccccc3)[C@H]2C1 888102167 KZDDFIXKIUXDSX-DZKIICNBSA-N 256.349 1.934 0 50 CDAA CC(C)=CCO[C@H]1COCC[C@@H]1NC(=O)c1cccnc1 1565514319 DVDGGBXFTCZSOR-GJZGRUSLSA-N 290.363 1.952 0 50 CDAA CCS(=O)(=O)N1CCN(Cc2ccccc2OC)CC1 19809201 XXGYEJFPRJQYFX-UHFFFAOYSA-N 298.408 1.163 0 50 CDAA c1ccc(-c2cn(CCO[C@H]3CCOC3)nn2)cc1 899735745 PTXCQYPETOOQSH-ZDUSSCGKSA-N 259.309 1.751 0 50 CDAA Oc1nc(Cl)cc(N2CC[C@@H](c3ncccn3)C2)n1 1363162119 LBLJOLRBQXPKBR-MRVPVSSYSA-N 277.715 1.620 0 50 CDAA CC1(C)C[C@@H](NC(=O)c2cnn3cccnc23)C(C)(C)O1 272232753 FZNNNESEZSMKPY-LLVKDONJSA-N 288.351 1.805 0 50 CDAA Cc1nc(NC(=O)[C@@H](C)N(C)c2ccn(C)n2)sc1C 274834752 KRKWZJCWBXCDDH-SECBINFHSA-N 293.396 1.957 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccc2ncccc2c1 169980278 NZQKFLHECWPARW-UHFFFAOYSA-N 273.141 1.488 0 50 CDAA in-vitro COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(C)oc1C 170089456 KWFZIAHKRJFWFF-NWDGAFQWSA-N 253.298 1.005 0 50 CDAA Cc1ccc(NS(=O)(=O)c2ccccc2)c(O)n1 170611102 KKHVOTDNSLWDJP-UHFFFAOYSA-N 264.306 1.896 0 50 CDAA Cc1[nH]nc2ncc(C(=O)NCCN3CC=CCC3)cc12 280351439 XFVWQFKASJVDRL-UHFFFAOYSA-N 285.351 1.258 0 50 CDAA CCC(=O)N1CCOC2(CCN(C(=O)[C@H]3C[C@@H]3C)CC2)C1 967672712 NDORYQVYKLSFKF-STQMWFEESA-N 294.395 1.272 0 50 CDAA Cc1n[nH]nc1C(=O)N(Cc1ccccc1)C1CC1 188528174 YLKMVJTVXHLXLS-UHFFFAOYSA-N 256.309 1.918 0 50 CDAA CCOc1cc(N2C[C@H](OC)C[C@H]2c2ncc[nH]2)ncn1 643744899 DOTZPSXMGBTMPQ-MNOVXSKESA-N 289.339 1.565 0 50 CDAA CCCn1ccnc1CCCN(C)S(C)(=O)=O 192243389 PNSOVQBJHCIAKL-UHFFFAOYSA-N 259.375 1.117 0 50 CDAA O=C(CCc1ccc2c(c1)OCO2)N[C@@H]1C[C@H]2OCC[C@@H]12 1074622189 JFRSDQCGHBSGRV-OUCADQQQSA-N 289.331 1.642 0 50 CDAA CC(C)NC(=O)CN[C@@H](C)COc1ccccc1 65395200 FSGSBTHYYKMCHC-LBPRGKRZSA-N 250.342 1.568 0 50 CDAA O=C(O)[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccco1 899942157 HRSXCWBQEGPGBU-NXEZZACHSA-N 287.337 1.449 0 50 CDAA c1cn(CCN2CCN(CC3CCCC3)CC2)cn1 1506429618 SEBORQRTOCVHSJ-UHFFFAOYSA-N 262.401 1.691 0 50 CDAA Cc1cccnc1N1CCC[C@@H](c2nnc(CO)n2C)C1 1506401619 KSRWIEARUWONTI-GFCCVEGCSA-N 287.367 1.395 0 50 CDAA CN(C)c1nc(NC[C@H]2CCCCN2C)ncc1F 1506403582 SURKZKKJSWYVFL-SNVBAGLBSA-N 267.352 1.578 0 50 CDAA CN1Cc2cc(-c3cncc(N(C)C)n3)ccc2C1=O 1875243892 CNHXADBNMGWEKP-UHFFFAOYSA-N 268.320 1.795 0 50 CDAA NC(=O)C1CCN(Cc2ccc(F)cc2F)CC1 216937 AIRGETWKMISMAV-UHFFFAOYSA-N 254.280 1.662 0 50 CDAA COc1ccc(C(=O)N[C@H]2C[C@@](C)(O)C2)cc1F 335250808 HOZGMQUKZULJFY-SWZMTVOYSA-N 253.273 1.478 0 50 CDAA Cc1ccc(O)c(CN2CCC[C@@H](C(=O)NC3CC3)C2)n1 1615583788 ZSRWPPFBPTXNRP-GFCCVEGCSA-N 289.379 1.586 0 50 CDAA O=C(/C=C/c1cccs1)N[C@H]1CCS(=O)(=O)C1 2305847 HDVLCMBOYCDBHX-NWALNABHSA-N 271.363 1.065 0 50 CDAA Cc1cc(C(=O)N2CCCN3CCC[C@H]3C2)c(O)cn1 1857696250 TVDXZIUYRXLKGF-LBPRGKRZSA-N 275.352 1.406 0 50 CDAA CC(C)(O)[C@@H]1CCN(C(=O)c2ccc(F)c(O)c2)C1 216395031 OQLFSDQQJAGYDT-SNVBAGLBSA-N 267.300 1.764 0 50 CDAA CCCn1ncc(-c2nc(C)nn2-c2ccnn2C)c1C 1772807745 UFVSOXNSWLCPLN-UHFFFAOYSA-N 285.355 1.891 0 50 CDAA COc1nc(N[C@H](Cc2ccccc2)C(=O)O)ncc1F 1772708708 AZTXILMYYNGTRF-LLVKDONJSA-N 291.282 1.732 0 50 CDAA CCN1CCn2c(nnc2[C@@H](C)OC(C)C)C1=O 1772817529 SKBJESOREYWXTL-SECBINFHSA-N 252.318 1.240 0 50 CDAA CSCC(=O)N1CCO[C@@H](Cc2ccccc2)C1 12301061 AXCKJLLWKMHAHY-ZDUSSCGKSA-N 265.378 1.820 0 50 CDAA c1ccc2c(c1)N1CCN=C1N2CCN1CCOCC1 13590490 LHGPXSYLXXNAQV-UHFFFAOYSA-N 272.352 1.015 0 50 CDAA COc1ccccc1CNCCN1CCOCC1 19570855 WGVIWMAMZMWHQZ-UHFFFAOYSA-N 250.342 1.117 0 50 CDAA Cc1cccc(OCC(=O)O[C@H](C)CN2CCOCC2)c1 19907430 PNBRIMFHLNFONF-CQSZACIVSA-N 293.363 1.638 0 50 CDAA O=C(O)c1cnc(C=Cc2cccc3c2OCO3)nc1O 1857533445 QRLUUJJQYNVQQZ-UHFFFAOYSA-N 286.243 1.780 0 50 CDAA O=C(NCCn1cc(Cl)cn1)[C@@H]1CCn2nccc2C1 1857731775 OQTAKJOMGLSJPN-SNVBAGLBSA-N 293.758 1.112 0 50 CDAA C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)Cc1cccc2c1CCNC2 638943361 JEAPTNOYAQIHTG-WQGACYEGSA-N 288.391 1.557 0 50 CDAA Cc1nn(C)c(C)c1CC(=O)N(C[C@H](C)C(=O)O)C1CC1 237442636 SKCYLZNCHCHTSY-VIFPVBQESA-N 293.367 1.291 0 50 CDAA CN(Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1875248877 VCPUZFJHSKMMOG-IACUBPJLSA-N 280.343 1.272 0 50 CDAA Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1cnn(C)n1)O2 606443025 OTDSZBRCXLQASD-AWEZNQCLSA-N 286.335 1.134 0 50 CDAA Cc1cc(N2CCO[C@@H](CN(C)CC3CC3)C2)ncn1 328625817 DNAJBSMVTSSMMD-AWEZNQCLSA-N 276.384 1.332 0 50 CDAA CN(C)[C@H](C(=O)NCc1nc[nH]n1)c1ccc(Cl)cc1 654596597 VQJVLFDDUMUSFI-LBPRGKRZSA-N 293.758 1.377 0 50 CDAA CC1CCC(O)(CN2CCC[C@H](c3nc[nH]n3)C2)CC1 363510032 KHFXLBCINZUWTB-OWYJLGKBSA-N 278.400 1.925 0 50 CDAA C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(-n2cccn2)cc1 262410090 NXEQXODIOZPJIC-GDLCADMTSA-N 299.330 1.770 0 50 CDAA CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)[C@H](C)CSC)C1 585130389 OTIWNFODYKRQFN-GMTAPVOTSA-N 291.388 1.735 0 50 CDAA O=C1OCCN1Cc1ccc(NCc2cnc[nH]2)cc1 585118719 ZLWWHFUWWXEPTG-UHFFFAOYSA-N 272.308 1.974 0 50 CDAA CC[C@H](C)c1ccc(S(=O)(=O)N2CCNCC2)cc1 34781409 GWJIWGHMZOHUCS-LBPRGKRZSA-N 282.409 1.794 0 50 CDAA in-vitro COC(=O)N1CCN(Cc2cccc3c2NCCC3)CC1 387096244 IIGUZJAWEGCDEA-UHFFFAOYSA-N 289.379 1.929 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)/C=C(/C)C1CC1 818310383 IHPMADAFSDFBBQ-QQBNSCQMSA-N 267.325 1.435 0 50 CDAA Cc1nsc(C(=O)NC2([C@@H]3CCCCO3)CC2)n1 902985081 KEZNFCHRALOQJW-VIFPVBQESA-N 267.354 1.678 0 50 CDAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)c1cocn1 910203058 QIEMZZAJSBHZAA-SNVBAGLBSA-N 262.221 1.092 0 50 CDAA COc1cncc(N2CCN(Cc3cnc(C)o3)CC2)c1 931211937 QBMQSYRTSACVNZ-UHFFFAOYSA-N 288.351 1.709 0 50 CDAA O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccccc1 1225850 FQLDHWDVXKGFAM-UHFFFAOYSA-N 277.305 1.206 0 50 CDAA C[C@H]1CN(CC(=O)NC2CCCCCC2)C[C@H](C)O1 20572389 XBCVMFJMXMBDPY-STQMWFEESA-N 268.401 1.935 0 50 CDAA CC1(NC(=O)c2ccc3c(c2)CNC3)CCOCC1 229900182 AUBNLTKKJYOVLP-UHFFFAOYSA-N 260.337 1.589 0 50 CDAA C[C@H](O)C[C@H]1CCCCN1C(=O)CCn1ccnc1 279883864 UEZLRANKMKSDOO-QWHCGFSZSA-N 265.357 1.425 0 50 CDAA O=C([C@H]1CC12CCNCC2)N(CCO)C1CCCCC1 70254057 QAAUOPYAPGHVKA-CQSZACIVSA-N 280.412 1.530 0 50 CDAA CS(=O)(=O)c1ccc(N2CCC[C@@]3(CCNC3)C2)cc1 420254379 RHQWMKJEQVNXFJ-HNNXBMFYSA-N 294.420 1.670 0 50 CDAA COc1cc(Cl)ccc1C(=O)N[C@H]1CCOC[C@@H]1O 629227924 HQWGDALKOGWYEG-QWRGUYRKSA-N 285.727 1.228 0 50 CDAA COCC1(CN[C@@H](C)CS(C)(=O)=O)CCCC1 449741517 KNQHRBKMEQPBDK-NSHDSACASA-N 263.403 1.216 0 50 CDAA Cc1cc(C)n(CCCN(C)CCn2cnnc2)n1 670444718 INCRKDWOQNPXAM-UHFFFAOYSA-N 262.361 1.114 0 50 CDAA COC(=O)c1ccc(N2CC[C@H](C)[C@@H](CN)C2)nc1 842315829 BQMIAZBPAPRIOD-JQWIXIFHSA-N 263.341 1.289 0 50 CDAA COC(CNC1=CC(=O)OC12CCCCC2)OC 80543 LYOXCDHSZLROHB-UHFFFAOYSA-N 255.314 1.339 0 50 CDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc(O)c1 619511 XZGZIJXESVPCQI-UHFFFAOYSA-N 289.287 1.193 0 50 CDAA CC(C)Cc1cc(N(C)CCN2CCCC2=O)nc(=N)[nH]1 2325767243 QUGMBGTVZGRBLX-UHFFFAOYSA-N 291.399 1.146 0 50 CDAA Cc1cc(CO)oc1C(=O)NC[C@@]12CCCN[C@@H]1CCC2 2325779113 HUQYRHISFHWFCL-CZUORRHYSA-N 292.379 1.732 0 50 CDAA C[C@H](N)C(=O)N1CC[C@H](COCc2ccccc2)C1 119102575 NVMYLMLSNBWNLN-JSGCOSHPSA-N 262.353 1.399 0 50 CDAA O=C(CN1CCCC1)N1CCN(C(=O)c2ccccc2)C1 196482 UEZYXVDULHYKHV-UHFFFAOYSA-N 287.363 1.024 0 50 CDAA O=C(NCC(=O)N1CCCCC1)C1CCCCC1 306215 URTBMPVRSKDAJX-UHFFFAOYSA-N 252.358 1.695 0 50 CDAA COC(=O)[C@H](C)N(c1ccc(OC)cc1)S(C)(=O)=O 310379 SQLJLYBKFRCWCI-VIFPVBQESA-N 287.337 1.023 0 50 CDAA NC(=O)[C@H]1C(=O)NC2=C(CCCC2)[C@H]1c1ccccc1 759513 RZEFDTSTXYIULH-KGLIPLIRSA-N 270.332 1.830 0 50 CDAA CCCCO[C@@H](C)n1cc(Br)c(=O)[nH]c1=O 2183548 DATLBWSUPFFBCD-ZETCQYMHSA-N 291.145 1.634 0 50 CDAA Cc1ccccc1NC(=O)C[C@@H]1SCCNC1=O 2204581 DMUXIRFITAAQKZ-NSHDSACASA-N 264.350 1.555 0 50 CDAA CCc1ccccc1NC(=O)C[C@H]1SCCNC1=O 2326308 GSPCXFMOQXEVAD-GFCCVEGCSA-N 278.377 1.809 0 50 CDAA O=C(NCCNC(=O)c1ccccc1F)c1ccccn1 4487337 JRKRNDWHIXAXLZ-UHFFFAOYSA-N 287.294 1.381 0 50 CDAA CCc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nnnn32)cc1 4870357 ZGDUPHXMRBGYJB-ZDUSSCGKSA-N 299.334 1.697 0 50 CDAA Cc1cc(Br)c2[nH]c(=O)oc(=O)c2c1 8731218 XDPLOGJWYJBJGE-UHFFFAOYSA-N 256.055 1.552 0 50 CDAA COc1cccc([C@H]2C[C@@H](O)CN2S(=O)(=O)C2CC2)c1 225714921 CRZIPFMHNLESSG-BXUZGUMPSA-N 297.376 1.295 0 50 CDAA CCNC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 9197882 MJDNCIUKNXJRTA-LBPRGKRZSA-N 260.337 1.792 0 50 CDAA CS(=O)(=O)CCC(=O)NCc1cc(F)ccc1F 104926364 CXYVANZQMPYHAZ-UHFFFAOYSA-N 277.292 1.016 0 50 CDAA Cc1nc(NCCNC(=O)CC(C)C)cc(N(C)C)n1 67613521 FLHBLGVZDPICSI-UHFFFAOYSA-N 279.388 1.425 0 50 CDAA O=C1CCCN1CCc1nc(Cc2cccs2)no1 20449978 HVNTZYOQHVQBAM-UHFFFAOYSA-N 277.349 1.887 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)NC[C@]2(O)CCNC2)cc1 1506399400 NBKKTLDRVDVFQZ-INIZCTEOSA-N 291.395 1.026 0 50 CDAA CCn1cnnc1CCN[C@@H]1CCN(Cc2ccccc2)C1 67946339 LSSPMWYBFHRRED-MRXNPFEDSA-N 299.422 1.705 0 50 CDAA COC(=O)c1cc(CN(C)Cc2cnccn2)cn1C 347843217 FYRUQDXYUUITFC-UHFFFAOYSA-N 274.324 1.234 0 50 CDAA CCCCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)O)C1 136131954 IMEFUFGKSYPRHA-WDEREUQCSA-N 257.330 1.515 0 50 CDAA Cc1nnc(N(C)C(=O)CCn2cccn2)s1 331214202 UNWJMONXUPDMNY-UHFFFAOYSA-N 251.315 1.096 0 50 CDAA Cn1ccc(-c2nc(-c3cnc4cnccn34)no2)cc1=O 350945526 JDIJNDRTKMYYCA-UHFFFAOYSA-N 294.274 1.145 0 50 CDAA Cc1nc(N(C)C)nc(N(C)C[C@H]2CCCO2)c1C 65394759 QKZGAERPTXFBBC-GFCCVEGCSA-N 264.373 1.775 0 50 CDAA CN1CCN(C(=O)CCCC(=O)O)[C@@H](c2ccccc2)C1 20423509 NWCTVKOPEMZPCM-CQSZACIVSA-N 290.363 1.757 0 50 CDAA C[C@@H](N)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 121582512 WQYINDSPEMMTEK-BNOWGMLFSA-N 262.353 1.448 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@H](C)[C@H]2CN)cn1 429139023 WWWKSUIDENSBJO-SMDDNHRTSA-N 261.369 1.518 0 50 CDAA C[C@@H]1CCCCN1[C@H](C)CNC(=O)Cn1cccn1 252463421 NYEWHTOOULEIJI-CHWSQXEVSA-N 264.373 1.262 0 50 CDAA CC(C)[C@@H]1CN(C)CCN1C(=O)NO[C@H]1CCCCO1 252514923 FCANMRQJAYKPBQ-STQMWFEESA-N 285.388 1.426 0 50 CDAA OCC1(O)CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1 72121037 DRMDHOVKVJYFES-LSDHHAIUSA-N 282.428 1.070 0 50 CDAA Cc1cncc(C(=O)N2CCC[C@H](n3ccnn3)C2)c1 332249006 CARQXDNYWQFRGS-ZDUSSCGKSA-N 271.324 1.459 0 50 CDAA Cc1csc([C@@H](C)CNC(=O)c2cn[nH]c2)n1 184721394 HYBRWCMFJPXINT-ZETCQYMHSA-N 250.327 1.708 0 50 CDAA O=C(c1cc2c(Cl)cccc2[nH]1)N1CC(O)C1 215917678 TWNFVDDGFMRJMY-UHFFFAOYSA-N 250.685 1.638 0 50 CDAA COc1cccc2ncn(Cc3cccnc3)c(=O)c12 32537237 VMISPKCGDLAYBO-UHFFFAOYSA-N 267.288 1.848 0 50 CDAA C[C@H]1C[C@H](NS(=O)(=O)c2ccsc2)c2nccn21 333035770 DAJNQCIEPZJLPP-WPRPVWTQSA-N 283.378 1.929 0 50 CDAA Cc1cscc1NC(=O)N[C@H]1CCC(=O)N(C)C1=O 333456840 ZSGGDZLREQZAKY-QMMMGPOBSA-N 281.337 1.325 0 50 CDAA Cc1nc2c(C(=O)N3CC(F)(F)C[C@@H]3CO)ccnc2[nH]1 366667920 GPCGXVUGAIYLDR-MRVPVSSYSA-N 296.277 1.108 0 50 CDAA O=C(O)CNC(=O)c1ccccc1CCC(F)(F)F 263196826 UIIAGSAGSHVUQO-UHFFFAOYSA-N 275.226 1.996 0 50 CDAA Cc1ccc2cccc(C(=O)N3CCN[C@@H](C)C3)c2n1 237525201 KFOIMTAHSPTUTH-LBPRGKRZSA-N 269.348 1.977 0 50 CDAA Cc1nn(C)c2c1[C@@H](c1cccc(O)c1)CC(=O)N2 72119099 GUYIGZZVFPHYRI-LLVKDONJSA-N 257.293 1.908 0 50 CDAA CCc1cc(N2CCN3CCCC[C@@H]3C2)n2nccc2n1 72421303 GNMJPRQHZGGWDA-CQSZACIVSA-N 285.395 1.966 0 50 CDAA Cc1ccc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)s1 334709369 BPLADOGMUTUTBB-PHIMTYICSA-N 282.409 1.584 0 50 CDAA C[C@@H](CN1C(=O)NC2(CCNCC2)C1=O)c1ccccc1 77424309 JIDDORKRSMCXES-LBPRGKRZSA-N 287.363 1.464 0 50 CDAA O=C([C@H]1CCCC(F)(F)C1)N1CC(n2ccnn2)C1 334816305 OMIQPMTZBXVJLR-VIFPVBQESA-N 270.283 1.487 0 50 CDAA O=C(c1cc2cc(F)ccc2[nH]1)N1CC(O)(C(F)F)C1 335074454 CKKLLSCRJOVQOV-UHFFFAOYSA-N 284.237 1.759 0 50 CDAA Cc1nonc1CC(=O)N1CC(Oc2ccccc2F)C1 216302203 ULPLYZWOPZFSOA-UHFFFAOYSA-N 291.282 1.349 0 50 CDAA O=C([C@@H]1CCCN1C1CCCC1)N1CCN2CCC[C@@H]2C1 335206795 LUVMUUVLGPZCBO-CVEARBPZSA-N 291.439 1.700 0 50 CDAA COc1ccc2c(c1)C[C@H](C(=O)N(C)[C@H](C)C(=O)O)CO2 262892280 NXJLPEMUQRTZOK-KOLCDFICSA-N 293.319 1.178 0 50 CDAA CC1=NN(CC(=O)NCc2cc(-c3ccco3)on2)CC1 71746124 TZJHQEGILBKJRT-UHFFFAOYSA-N 288.307 1.632 0 50 CDAA CCc1nc(NC(=O)NCCn2nc(C)cc2C)nn1C 48307218 DZDGAHGFJUNFLJ-UHFFFAOYSA-N 291.359 1.013 0 50 CDAA Cc1cc(Cl)cc2c(=O)n(CCC(N)=O)cnc12 43139848 HPTYVDYQUZSXOO-UHFFFAOYSA-N 265.700 1.234 0 50 CDAA CCCn1nccc1C(=O)N1CCC2(CCN(C)CC2)C1 614967562 LTZUUSDTCQWEOP-UHFFFAOYSA-N 290.411 1.851 0 50 CDAA COCCn1cnnc1[C@H](C)NC(=O)c1cc(C)oc1C 222415412 GNKJWAKQQOSUMT-JTQLQIEISA-N 292.339 1.625 0 50 CDAA Cc1cc(C)n(CCCC(=O)N(C)C[C@H]2COCCO2)n1 220155128 VSHMSIPTYFKBQS-AWEZNQCLSA-N 295.383 1.154 0 50 CDAA Cc1ccc([C@@]2(C)NC(=O)N(Cc3cnns3)C2=O)o1 287618581 UGGJLCKGTHYSEC-GFCCVEGCSA-N 292.320 1.407 0 50 CDAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3cc[nH]n3)CC2=O)cc1 82107843 ZCBXWVRVQLAAIJ-GFCCVEGCSA-N 298.346 1.596 0 50 CDAA O=C([C@H]1CNCCO1)N(Cc1ccsc1)C1CC1 43800426 CCGXBDRGIPQFGR-GFCCVEGCSA-N 266.366 1.228 0 50 CDAA Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1C 226628510 YWJLRPXZVKHIRG-FHIRATQRSA-N 299.326 1.109 0 50 CDAA CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@@H](C(=O)O)C2)s1 178265905 MARPQUKVXUAWBX-RKDXNWHRSA-N 298.364 1.706 0 50 CDAA CN(Cc1cnccn1)C(=O)NC[C@@H]1CCCCN1C 426428434 XBCMQVDFZKPGOO-ZDUSSCGKSA-N 277.372 1.102 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)C[C@H]2CCCOC2)o1 426444617 OVWSNZLBJWRYEG-LLVKDONJSA-N 294.351 1.414 0 50 CDAA C[C@@]12C(=O)N(c3nccs3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 144999411 BZKMZALNEDJMLC-YFBYITSOSA-N 260.318 1.845 0 50 CDAA CCCc1nnc(N2C[C@H](CO)[C@H](CN(C)C)C2)s1 91441018 ZGHRTRGFQAZCIT-GHMZBOCLSA-N 284.429 1.097 0 50 CDAA O=C(N[C@@H]1CCCOCC1)c1ccc2c(c1)OCO2 179944711 DMUSYTKFXTZAOO-LLVKDONJSA-N 263.293 1.714 0 50 CDAA N[C@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 237853066 HVALZVRGCNFBOD-AWEZNQCLSA-N 270.336 1.105 0 50 CDAA NC(=O)C1(NC(=O)c2c[nH]nc2-c2ccccc2)CCCC1 92078912 HGLMATHBGOFBBF-UHFFFAOYSA-N 298.346 1.605 0 50 CDAA OCC1(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)COC1 534668116 JZJSKBQATVVGNC-FZMZJTMJSA-N 299.317 1.081 0 50 CDAA c1cnc(OC2CCN(c3nnc(C4CC4)o3)CC2)nc1 95365813 BEOMRXVSWWJIPB-UHFFFAOYSA-N 287.323 1.785 0 50 CDAA CC(C)=CCCN1CCN(C)[C@@]2(CCNC(=O)CC2)C1 91526628 KNEROSVSOIZNAG-INIZCTEOSA-N 279.428 1.629 0 50 CDAA Cc1cc(C)n([C@@H](C)C(=O)NCCCc2ncc[nH]2)n1 244763852 OWNUYJPHDYKBMO-LBPRGKRZSA-N 275.356 1.533 0 50 CDAA CC(=O)N(C)[C@H]1CCN(CCn2cnc3ccccc32)C1 244626681 FQNXEMJDIHBJLQ-AWEZNQCLSA-N 286.379 1.589 0 50 CDAA C[C@@]12[C@@H]3C[C@H]4[C@@H]1[C@@H](n1c(=O)n(-c5ccccc5)c(=O)n14)[C@]32C 253596779 VVVRPJWAPAXQJQ-UHPBMKKNSA-N 295.342 1.572 0 50 CDAA CN(CC[C@@H]1CCCCO1)CCn1cc[nH]c1=O 252493443 NBZZVXGUHOJEBS-LBPRGKRZSA-N 253.346 1.067 0 50 CDAA C[C@@H]1C[C@H](CNC(=O)NC[C@@H]2CCCCN(C)C2)[C@@H](C)O1 624207759 PXGYLTIJZICRKH-APIJFGDWSA-N 297.443 1.831 0 50 CDAA CC[C@@H]1CN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CCO1 252077252 DBTXIEBEZVJSMM-JTNHKYCSSA-N 298.408 1.078 0 50 CDAA CCO[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 299742272 AXNRHZNKBBERNN-KXNHARMFSA-N 269.341 1.656 0 50 CDAA C[C@@H](C(=O)NCc1cc[nH]n1)N1CCCCCC1 534589506 JGDYRUYJCVRRSU-NSHDSACASA-N 250.346 1.290 0 50 CDAA COCCOc1ccc(-c2cnn(C)c2C(=O)O)cc1 534659659 MWFODOYWQXTKLX-UHFFFAOYSA-N 276.292 1.811 0 50 CDAA COc1nc(=NCC[C@H]2CCCOC2)[nH]cc1F 534671575 AKCQCIDCURDJBY-SECBINFHSA-N 255.293 1.275 0 50 CDAA CN(CC(=O)N1CCC2(CCCC2)C1)C1CCNCC1 534631852 SKGDINFCKUGRRO-UHFFFAOYSA-N 279.428 1.463 0 50 CDAA Cc1ccc(CS(=O)(=O)N(C)C[C@@H]2CCN(C)C2)cc1 288180718 ARYDTZFPLXQHLQ-OAHLLOKOSA-N 296.436 1.708 0 50 CDAA COC[C@@H]1CCCN1C(=O)CCCN1CCCC1=O 824469434 MDOZZXAVEOMTIJ-LBPRGKRZSA-N 268.357 1.026 0 50 CDAA COC(=O)[C@H]1CCN1c1cnc(Cl)cc1C=O 725345207 IVYQMWGEKRVHIQ-MRVPVSSYSA-N 254.673 1.299 0 50 CDAA CCc1nccn1CCn1cnc2c(OC)cccc2c1=O 584903764 GFLFSDDDBPHXDY-UHFFFAOYSA-N 298.346 1.864 0 50 CDAA Cc1csc([C@@H](C)CNC(=O)c2cnc(C)nc2O)n1 584898670 IRAZQMYTVRJXBV-ZETCQYMHSA-N 292.364 1.789 0 50 CDAA O=C(O)C1CCN(C2CCN(Cc3cc[nH]n3)CC2)CC1 828481741 TYUNFCWATNVLCW-UHFFFAOYSA-N 292.383 1.171 0 50 CDAA CSCCC(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1 584892468 SXUSOZJYDSCEIF-LLVKDONJSA-N 286.441 1.845 0 50 CDAA CCc1noc(CNC(=O)c2c3c(nn2C)CCCC3)n1 584898928 OIOKJVHKMFMSPB-UHFFFAOYSA-N 289.339 1.174 0 50 CDAA Cc1cc(C)n(CCCC(=O)N[C@@H](C)c2nncn2C)n1 584893654 SYBWJIOIKLAGHP-LBPRGKRZSA-N 290.371 1.286 0 50 CDAA CCO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[C@@H](C(=O)O)C1 864098903 WWZDLMSXHWXARZ-JHJVBQTASA-N 299.367 1.141 0 50 CDAA CN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]2C1 685939752 HXZSYWQLVLBTLQ-AAVRWANBSA-N 274.364 1.936 0 50 CDAA CCN(Cc1cc(O)nc2ccccc12)[C@@H]1CCNC1=O 1875292249 BBFPXSYSAXOEGO-CQSZACIVSA-N 285.347 1.651 0 50 CDAA Cc1cnccc1[C@H](C)Nc1cnn(CC(=O)N(C)C)c1 1875285116 CQJJVVKNVCPMRM-LBPRGKRZSA-N 287.367 1.848 0 50 CDAA C[C@@H]1CNCC[C@H]1CN1CCCc2c(cnn2C)C1 952892049 KDZOYZGCQNUADG-OLZOCXBDSA-N 262.401 1.414 0 50 CDAA Cn1cc(C[N@@]2C[C@@H]2COc2ccc3cncnc3c2)cn1 1875378600 HJIIWZSZFTZFBW-SZNDQCEHSA-N 295.346 1.627 0 50 CDAA CCOC(=O)c1cn(C)cc1NC(=O)Cc1ccco1 952995395 KVIHEQPZHYSWIS-UHFFFAOYSA-N 276.292 1.976 0 50 CDAA OC[C@@H](CC1OCCO1)Nc1ccc(C(F)(F)F)cn1 952992062 IUKDLXCFZREDNH-SECBINFHSA-N 292.257 1.636 0 50 CDAA CN(C)C/C=C/C(=O)NCc1cccc(-c2ccccn2)n1 1875376960 OBMZUYFXAWXDOM-UXBLZVDNSA-N 296.374 1.878 0 50 CDAA O=S1(=O)CCN(c2ccc(Br)cc2)CC1 44069164 YDNMNPHZKMEGDR-UHFFFAOYSA-N 290.182 1.684 0 50 CDAA in-vitro C=CC(=O)N1CC[C@@]2(C[C@H](O)c3ccccc3O2)C1 1776003757 AEFUOCQHNSCKIF-SWLSCSKDSA-N 259.305 1.660 0 50 CDAA Oc1on[n+](-c2ccccc2)c1I 95836461 XMMFDMXGNNSLGS-UHFFFAOYSA-O 289.052 1.262 0 50 CDAA in-vitro Cc1nocc1S(=O)(=O)N1CCCC(C)(C)C1 631955484 LPPDJGCVAMIBKH-UHFFFAOYSA-N 258.343 1.794 0 50 CDAA CCn1ccnc1CN1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O 408035292 LAPHIFRBLZIRTA-IIAWOOMASA-N 293.411 1.655 0 50 CDAA C[C@H](C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)C(C)(C)C 408217270 LEDNVVXYQNZPSL-MNOVXSKESA-N 275.414 1.562 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(n2cncn2)CC1 408474259 NDNHNNQWDCKIKF-KBPBESRZSA-N 292.383 1.647 0 50 CDAA CCn1cccc(CNC(=O)[C@@H]2CCCO[C@@H]2C)c1=O 408473755 SZJAYCGVGAFMFI-DGCLKSJQSA-N 278.352 1.300 0 50 CDAA CC1(C)CC[C@@H]1NCCOc1ccc(S(N)(=O)=O)cc1 408523294 IODCYJPXXZBFST-ZDUSSCGKSA-N 298.408 1.491 0 50 CDAA Cc1cc(C)n2nc(SC[C@@H]3COCO3)nc2n1 408522427 ITLYZLKKYCNFIY-VIFPVBQESA-N 266.326 1.206 0 50 CDAA C[C@@H]1C[C@H]1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 221858362 GZBANMOMNQDIGK-AVPPRXQKSA-N 250.273 1.124 0 50 CDAA CN(C)C(=O)c1ccc(=O)n(CCOc2ccccc2)n1 170601160 KIPRVJVLDGBUDF-UHFFFAOYSA-N 287.319 1.024 0 50 CDAA CC(C)c1noc(N2CCC[C@@H](CS(C)(=O)=O)C2)n1 518510765 PKPRACXEPZDBFR-SNVBAGLBSA-N 287.385 1.454 0 50 CDAA Cc1nn(C)c(C)c1CC(=O)Nc1cc(N(C)C)ncn1 281250907 UNERBKVZFBSNKG-UHFFFAOYSA-N 288.355 1.074 0 50 CDAA COc1cccc(OC)c1[S@](=O)Cc1ncnn1C 189690346 LHXQFFNJKSRZJY-LJQANCHMSA-N 281.337 1.140 0 50 CDAA CN(CCn1cccn1)C(=O)c1ccsc1CC(=O)O 707432467 YRIMTZWKACBNIC-UHFFFAOYSA-N 293.348 1.344 0 50 CDAA CCOC(=O)[C@H](F)[C@@H]1CCN(c2nc(CC)ns2)C1 585092255 LZSICUZULWYJPU-PSASIEDQSA-N 287.360 1.828 0 50 CDAA Cc1cc(CN2C[C@H](O)C[C@]2(C)CO)ccc1F 585117368 ZNIYZQSGGTYLFK-TZMCWYRMSA-N 253.317 1.452 0 50 CDAA CC(C)(C)N1CC[C@@H]1C(=O)NCc1nccs1 585120756 JHCGEXWFZROUSM-SECBINFHSA-N 253.371 1.632 0 50 CDAA CC[C@@](C)(O)CN[C@H]1CCN(c2ccccc2)C(=O)C1 193093691 BVQQAERQFDZAPU-XJKSGUPXSA-N 276.380 1.933 0 50 CDAA CC(C)(C)C(=O)Nc1cnn(CC2OCCO2)c1 194645445 VQQLLOUNQLZPSE-UHFFFAOYSA-N 253.302 1.241 0 50 CDAA O=C(CCc1cccc(F)c1F)N[C@H]1CCCCNC1=O 194735820 FTSCBFHUUOGGNC-LBPRGKRZSA-N 296.317 1.682 0 50 CDAA Cc1ncc(CN(C)C(=O)Cc2cnn(C)c2)s1 194815490 KZJUHPLCWFPQDK-UHFFFAOYSA-N 264.354 1.386 0 50 CDAA O=C(C[C@@H]1CCOC1)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653334032 WSZHWKCQKDVYLE-LEWSCRJBSA-N 289.331 1.842 0 50 CDAA COCc1csc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c1 663054147 KDLHWKZLSIWARA-DCAQKATOSA-N 295.360 1.972 0 50 CDAA Cc1nncn1CCN1CCC(Oc2cccnc2)CC1 1506409624 YZNNBIZPVLRQJZ-UHFFFAOYSA-N 287.367 1.525 0 50 CDAA CCc1nc(CN2CCC[C@@H](Cn3ccnc3)C2)n[nH]1 1506409346 ZENZSAUHGQIHOI-GFCCVEGCSA-N 274.372 1.476 0 50 CDAA COc1cccc(OCCN(C)CCn2cnnc2C)c1 1506406078 FIRFROJJBYAJKZ-UHFFFAOYSA-N 290.367 1.606 0 50 CDAA COc1ccnc(C(=O)Nc2cnn3c2NCCC3)c1 1529090338 GVLJEMDUMCMOLB-UHFFFAOYSA-N 273.296 1.355 0 50 CDAA CC[C@H](C)[C@H](C)C(=O)N1CCN([C@H](C)CC(=O)O)CC1 630222459 FHRARWUTDKKEQE-XQQFMLRXSA-N 284.400 1.676 0 50 CDAA Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](C(=O)O)C1 578766986 NGOJCHBWDWNEDD-SSDOTTSWSA-N 271.704 1.010 0 50 CDAA Cc1cc(-c2noc([C@H](C)c3cnn(C)c3)n2)cc(N)n1 1616039376 YELWRJXDVAWUFB-SECBINFHSA-N 284.323 1.908 0 50 CDAA COc1cccnc1CNC(=O)Cc1c(C)nn(C)c1C 1615589698 GMBHNOJFTSLYSP-UHFFFAOYSA-N 288.351 1.299 0 50 CDAA Cc1cccc(-c2nnc(N3C[C@@H]4[C@@H](CF)[C@@H]4C3)n2C)n1 1615631271 BGZQAZMCSGGYCQ-CNDDSTCGSA-N 287.342 1.837 0 50 CDAA Cc1cc(O)ccc1C(=O)NCCN1CCCC1=O 215759194 KXOODBGKXZNUTQ-UHFFFAOYSA-N 262.309 1.053 0 50 CDAA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@@H]2C[C@@]2(C)C1 1772805357 LZBAAJJUNDCPKI-NHYWBVRUSA-N 275.352 1.600 0 50 CDAA CCN1CCN(CCOc2ccc(F)cc2)CC1 20406355 GONACZQXVNDBTJ-UHFFFAOYSA-N 252.333 1.842 0 50 CDAA CC(C)c1cc(C(=O)NCc2[nH]nc3ncccc23)on1 1772810303 KHQVSIYWEJUHFF-UHFFFAOYSA-N 285.307 1.999 0 50 CDAA O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CCSCC1 12315624 VIDPEZWOOMRRQO-GFCCVEGCSA-N 296.436 1.743 0 50 CDAA CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ncccn1 15686644 MNEFKGDCDCEZPV-ZDUSSCGKSA-N 299.330 1.837 0 50 CDAA Cn1cc(Cl)c(=NC(=O)[C@H]2C[C@@H]2c2ccncc2)[nH]1 1857530053 NZGHZJXAUAGLGI-ZJUUUORDSA-N 276.727 1.633 0 50 CDAA COc1ccc(-c2nccn2[C@H]2COC[C@@H]2OC)cc1O 1857674574 OEXPYFHDYDQGBX-FZMZJTMJSA-N 290.319 1.851 0 50 CDAA CCOc1ccc(C)cc1S(=O)(=O)NC[C@@H]1CCCO1 528302 IBXZBNOLOAMNQE-LBPRGKRZSA-N 299.392 1.851 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(Cc2ncc(C3CC3)o2)C1 643817470 VQYQPQGZTVHYEQ-HNNXBMFYSA-N 293.367 1.015 0 50 CDAA Cc1ccc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c(O)c1C 333463371 MBERTBYOHCQADM-LLVKDONJSA-N 286.335 1.757 0 50 CDAA C[C@H](C(=O)O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 237413086 QHPYJQQTCGOMBW-OLZOCXBDSA-N 290.363 1.602 0 50 CDAA O=C(OC[C@@H]1CC[C@@H]2O[C@@H]2C1)[C@@H]1CC[C@@H]2O[C@@H]2C1 13827954 YXALYBMHAYZKAP-PQCBQTOFSA-N 252.310 1.665 0 50 CDAA in-vitro C[C@H]1C[C@H](NCc2nncn2-c2ccccc2)CCN1C 152621779 BNZSPDSGMKDABE-UONOGXRCSA-N 285.395 1.840 0 50 CDAA O=C([C@@H](O)Cc1ccccc1)N1CCC(c2cc[nH]n2)CC1 369097332 MNLUNWFXUCQJRC-INIZCTEOSA-N 299.374 1.719 0 50 CDAA NC(=O)N1CC[C@H](NC(=O)c2coc3ccccc23)C1 265135969 TYVKERPQHNCJDE-VIFPVBQESA-N 273.292 1.316 0 50 CDAA Cc1nc(CNc2ccc(S(C)(=O)=O)cn2)[nH]c1C 1646639371 YKQUGPGTSHLEIU-UHFFFAOYSA-N 280.353 1.437 0 50 CDAA CN(CCNc1nc(C2CC2)ns1)C(=O)c1cocn1 1101545954 ATVKLDUNBPGGKG-UHFFFAOYSA-N 293.352 1.588 0 50 CDAA Cc1cc(S(N)(=O)=O)c(C)cc1NCc1ccon1 902650201 XQDMREGTDRPBPO-UHFFFAOYSA-N 281.337 1.551 0 50 CDAA COc1nscc1[C@H](C)N[C@H]1C[C@H](S(C)(=O)=O)C1 1875273949 MERANLHTYMIIPP-CIUDSAMLSA-N 290.410 1.378 0 50 CDAA COc1c(C)[nH]cc(CN(C)Cc2cc(C)n(C)n2)c1=O 931326188 RLNMASIXCISZJP-UHFFFAOYSA-N 290.367 1.366 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc2ncsc2c1 218972583 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Cn1c(=O)c(C(=O)Nc2cccnc2)c(O)c2ccccc21 100602415 RYTBCJOCUYMEJI-UHFFFAOYSA-N 295.298 1.891 0 50 CDAA CC(C)[C@@H](N)CN=c1nc(-c2ccncc2)[nH]c2c1CCC2 420186316 APDSWOSJDWYIGU-AWEZNQCLSA-N 297.406 1.844 0 50 CDAA COc1cnc(N2CCCOCC2)nc1-c1ccnn1C 20149609 SUYNHUVCLWCXIZ-UHFFFAOYSA-N 289.339 1.112 0 50 CDAA CC(C)O[C@H](C)c1n[nH]c(=O)n1Cc1ccco1 65461299 HFVCCGZTAKMVIU-SECBINFHSA-N 251.286 1.699 0 50 CDAA Cc1oncc1CN1CCOC[C@@H]1[C@H]1CCC[C@@H]1O 331498062 QJUAEEFWOMYMLJ-MCIONIFRSA-N 266.341 1.345 0 50 CDAA CC[C@@]1(CO)CCCN(C(=O)Nc2nnc(C)s2)C1 63832206 JKIIBWHRXRRKKW-GFCCVEGCSA-N 284.385 1.863 0 50 CDAA C[C@@H]1CCCN([C@H](C)CNC(=O)[C@H]2CCCO2)C1 229381147 AWRUZCFTTCNBCG-JHJVBQTASA-N 254.374 1.402 0 50 CDAA Cn1cccc1C(=O)N1CCC(C(=O)N2CCCC2)CC1 69645800 NSNMOAFMUQDQGU-UHFFFAOYSA-N 289.379 1.500 0 50 CDAA COC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O 170088 LWGCZWMMGXWUQW-UHFFFAOYSA-N 264.668 1.673 0 50 CDAA COCc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)O)c1 129316137 BHJRIMAITQYNOQ-ZDUSSCGKSA-N 293.319 1.149 0 50 CDAA O=C(c1cn[nH]c1)N1CCC[C@H](c2ccncn2)C1 215335061 QTFSWYYJIKXSNY-JTQLQIEISA-N 257.297 1.220 0 50 CDAA O=C(Cc1cccnc1)NCCCc1ccccn1 219278980 UOTMQLGNRVPJLM-UHFFFAOYSA-N 255.321 1.768 0 50 CDAA CCN(Cc1nc(C(C)C)no1)C(=O)c1cnc[nH]1 219681611 MZWFFRRKPCANCB-UHFFFAOYSA-N 263.301 1.578 0 50 CDAA CCCc1cc(NCC(=O)NC(C)C)n2nccc2n1 72165103 VUSFMLHUOVETRV-UHFFFAOYSA-N 275.356 1.618 0 50 CDAA Cc1nn(C)cc1[C@@H](C)NC(=O)C1(Cn2ccnc2)CC1 219592848 NCVSOXORXCNMDY-LLVKDONJSA-N 287.367 1.583 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)Nc1cncc(-c2nnc(S)n2C)c1 131835462 MVGYMGXDQPIVOJ-XCBNKYQSSA-N 289.364 1.760 0 50 CDAA CO[C@H]1COCC[C@H]1Cc1nc(C2(C)CC2)no1 333043941 AXHASDAWNYJEDQ-UWVGGRQHSA-N 252.314 1.715 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)O)c1cccs1 236854847 GPBLOXKEBXETIU-LPEHRKFASA-N 283.349 1.805 0 50 CDAA CN(C)[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)C1CC1 339029294 MKKWQFMEEQFGRA-LBPRGKRZSA-N 278.400 1.777 0 50 CDAA NC(=O)[C@@H]1c2ccccc2CCN1Cc1nc(C2CC2)no1 369259857 QUJOVMBONHJUOT-AWEZNQCLSA-N 298.346 1.532 0 50 CDAA CC(C)c1[nH]ccc1C(=O)N[C@]1(CCO)CCOC1 287062067 MFSQXALTJFKOEV-CQSZACIVSA-N 266.341 1.409 0 50 CDAA CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccnc2c1nnn2C 333709282 GCJSHRMCAWLDHK-HZMBPMFUSA-N 273.340 1.528 0 50 CDAA Cc1nc2c(c(N3CC[C@@](C)(C(=O)O)C3)n1)CCCC2 262963593 ADBKRQXRRCCVEX-OAHLLOKOSA-N 275.352 1.965 0 50 CDAA CSc1ccccc1C(=O)NCc1nnc(N)s1 219147028 PNLHLCHCKHUUNL-UHFFFAOYSA-N 280.378 1.772 0 50 CDAA C[C@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)CC[S@](=O)C1 334148489 YMUGEUDXZLJFCU-YBTHPKLGSA-N 293.392 1.870 0 50 CDAA Cc1ocnc1C(=O)N1CCC(C(=O)N2CCCC2)CC1 77457260 LUHHSIMDXJZZMJ-UHFFFAOYSA-N 291.351 1.458 0 50 CDAA CCCN(CCC)C(=O)CN1CCO[C@@]2(CCO[C@@H]2C)C1 375918413 WBLXKBSZISCJIQ-ZBFHGGJFSA-N 298.427 1.515 0 50 CDAA COc1cc(OC)nc(N2CCO[C@@H](C(F)(F)F)C2)n1 71745442 SRDVCJVOXHDIMK-SSDOTTSWSA-N 293.245 1.261 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)c3nc4ncccn4n3)C[C@@H]2C1 71752386 OCIDRIDUQCWYMH-NEPJUHHUSA-N 283.335 1.553 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@H]1C(N)=O 284962508 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CDAA O=C(Cc1cccnc1)NCc1ccc2nsnc2c1 670453073 JMAYZPFKHIJMOR-UHFFFAOYSA-N 284.344 1.945 0 50 CDAA CC(C)CC(=O)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)O)nn1 1551455298 KTUZTCAXYCUPMD-PWSUYJOCSA-N 294.355 1.622 0 50 CDAA Cc1cccc(CCNC(=O)N2C[C@@H](N)C3(CCC3)C2)n1 1553497218 XSOOOKXTMCWSJR-CQSZACIVSA-N 288.395 1.455 0 50 CDAA CCc1ncnc(N2CC[C@@H](c3ncccn3)C2)c1F 952995678 UWKLUBHMQSERKQ-SNVBAGLBSA-N 273.315 1.962 0 50 CDAA Cc1cc(C(=O)NCc2cc(Cl)ccn2)cn(C)c1=O 1875362247 XTNLETIQTPFCSI-UHFFFAOYSA-N 291.738 1.672 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc2c(c1)[C@H](C)C(=O)N2 1875333440 VBTFXNLDSSEFSE-NWALNABHSA-N 288.303 1.201 0 50 CDAA CON(C)CCN(C=O)Cc1cnc(C(C)(C)C)s1 1875326087 ZOMSWWSLUWEPGJ-UHFFFAOYSA-N 285.413 1.892 0 50 CDAA CC[C@H](C)[C@@H]1NC(=O)[C@H](c2cc(F)ccc2F)NC1=O 1875278828 KRZYLLMGPYILSL-QILRFPOHSA-N 282.290 1.667 0 50 CDAA CC[C@H](CNC(=O)C1CCC2(CCNC2)CC1)C(=O)O 1875279851 IMIVLVAGPGGMQG-XIKARTHZSA-N 282.384 1.383 0 50 CDAA CN(C)c1nc2ccccc2c(=N[C@H]2CCCOC2)[nH]1 1875286240 LWNRLLAGWFWGIM-NSHDSACASA-N 272.352 1.709 0 50 CDAA CCc1onc(C(=O)N2CCc3nccnc3C2)c1C 1875294486 UAXHZAVYRTVSKQ-UHFFFAOYSA-N 272.308 1.534 0 50 CDAA Cc1[nH]nc2ncnc(N3CCCO[C@H](CF)C3)c12 1875294673 MQBXGAPSTNHXJI-SECBINFHSA-N 265.292 1.226 0 50 CDAA Cc1cc(CO)cc(C)c1CNC(=O)Cc1cc[nH]n1 1771977377 NPHJZUFBXKDPMG-UHFFFAOYSA-N 273.336 1.378 0 50 CDAA C[C@]1(NC(=O)c2ccc[nH]2)CCN(c2nccnc2F)C1 1065218209 DNHJDDUXQBUKAA-AWEZNQCLSA-N 289.314 1.343 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCCSC1 1514643824 CGQUYUOGKVVGRS-UHFFFAOYSA-N 265.338 1.596 0 50 CDAA CC(C)c1ccc(N2CCN3C(=O)OC[C@H]3C2)nn1 1166928268 XGHWJYGCFPLWKF-SNVBAGLBSA-N 262.313 1.241 0 50 CDAA CN(Cc1cccnc1)C(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565516876 XKSFGROBQLHPJZ-STQMWFEESA-N 288.351 1.043 0 50 CDAA O=S(=O)(CCOC1CC1)c1ccc2c(c1)OCCCO2 899465536 AFAZHNYWFDTJAR-UHFFFAOYSA-N 298.360 1.801 0 50 CDAA CCc1oc2ccccc2c1C(=O)N1CC(C)(C(N)=O)C1 1469412233 IATGQCMXIQCSQV-UHFFFAOYSA-N 286.331 1.943 0 50 CDAA Cc1n[nH]cc1CNC1(C(=O)NCC2CC2)CCCC1 185717227 KOHPFPRGYYTMDI-UHFFFAOYSA-N 276.384 1.647 0 50 CDAA Cc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275486830 ZMARWAQBSLSZMT-QWRGUYRKSA-N 292.364 1.445 0 50 CDAA CN(Cc1ccon1)C(=O)[C@H]1CCO[C@@H]1c1cccnc1 276632566 KZRSQLJBGBRAFU-UONOGXRCSA-N 287.319 1.806 0 50 CDAA C[C@@H]1CN(C(=O)[C@H](C)n2cccn2)CC[C@@H]1C(=O)O 302557628 XGRWZAMBJUQFPQ-VWYCJHECSA-N 265.313 1.013 0 50 CDAA CC1CCC(O)(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1 407962497 MVWBYYBZVXVFCB-RZFLTCLSSA-N 297.439 1.789 0 50 CDAA Cc1ccc2c(c1)[C@H](NCCCNS(C)(=O)=O)[C@H](C)C2 170070030 PUJPRAGINCHVBU-IUODEOHRSA-N 296.436 1.757 0 50 CDAA COC(=O)c1nc(Br)cnc1Br 40564434 OHKYQPNNVGHVOT-UHFFFAOYSA-N 295.918 1.788 0 50 CDAA in-vitro C[C@@H]1OCC[C@@H]1Nc1ccc2c(c1)CN(CC(N)=O)CC2 408515063 CQMUIGKRWFDLAX-NHYWBVRUSA-N 289.379 1.119 0 50 CDAA Cn1cc(C(=O)CCC(=O)N2CCC=C(F)C2)cn1 281323879 VCCGTBAFJDANBS-UHFFFAOYSA-N 265.288 1.469 0 50 CDAA CO[C@@](C)(C(=O)N1CC[C@@H](C(=O)O)C1)c1ccccc1F 668279593 DEIOWKNVVASHMB-MEBBXXQBSA-N 295.310 1.620 0 50 CDAA C[C@@H](NCCCN1CCCC1)C(=O)NC1CCCC1 58552781 PHXVKWMIDYPWTF-CYBMUJFWSA-N 267.417 1.509 0 50 CDAA CC(=O)N[C@@H](C(=O)NOCc1ccc(F)cc1)C(C)C 754723866 NMHOCLFYNZBJRG-CYBMUJFWSA-N 282.315 1.534 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)[C@@]1(C)CCCCN1 136125176 XHCIPAZCDYCBRQ-CQSZACIVSA-N 265.357 1.782 0 50 CDAA Cc1ccc(C(=O)O)c(NCCCN2CCC[C@@H](O)C2)n1 1506399350 FDFNAHFWYBWUJH-GFCCVEGCSA-N 293.367 1.347 0 50 CDAA COc1cnc(N(C)CCN2CCCC[C@@H]2C)nc1 1506414676 IDECUFCVLOKKQG-LBPRGKRZSA-N 264.373 1.796 0 50 CDAA CCCN(CCc1ccccc1)C(=O)[C@@H](N)[C@@H](C)O 1506415348 XMJAECGXYSVMRI-OCCSQVGLSA-N 264.369 1.176 0 50 CDAA COCCn1cnnc1CN(C)C1Cc2ccccc2C1 1506399034 WWOHYEWLCINDJX-UHFFFAOYSA-N 286.379 1.524 0 50 CDAA CN(C[C@H]1CCCCN1C)C(=O)c1cccc(O)n1 1506405285 AVRGKSQUNKAROX-LLVKDONJSA-N 263.341 1.344 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]2O)on1 1529162056 SUPMVIUYGBXTLW-OCCSQVGLSA-N 287.319 1.054 0 50 CDAA Cc1nc(=NCc2csc(N3CCCC3)n2)n(C)[nH]1 1704303539 KXUAUJMGSJEJPA-UHFFFAOYSA-N 278.385 1.214 0 50 CDAA O=c1c2cccc(F)c2ncn1C[C@]1(O)CCCOC1 1857529502 CQZXZZHOJSCYEQ-CQSZACIVSA-N 278.283 1.077 0 50 CDAA Cc1cc(CN(C)C(=O)c2nsnc2C)on1 1857687530 XOZPPZTXYPURMX-UHFFFAOYSA-N 252.299 1.415 0 50 CDAA CN=c1ccc(-c2ccc(-c3cn[nH]c3)cc2)n[nH]1 1875247751 QWRASSRJJCLPEF-UHFFFAOYSA-N 251.293 1.997 0 50 CDAA CNC(=O)[C@@H](Nc1nc(C)cc(N(C)C)n1)c1ccccc1 1615574772 YVSRBZNDZOGKTL-AWEZNQCLSA-N 299.378 1.750 0 50 CDAA CCCCNC(=O)CN1CCN(CC(C)(F)F)CC1 1615571182 GWWWOWSCAKCAOP-UHFFFAOYSA-N 277.359 1.176 0 50 CDAA O=C(N[C@H]1COC[C@@H]1Cc1ccncc1)c1ccccn1 1615738497 QCEHONQKAKVKJJ-ZFWWWQNUSA-N 283.331 1.464 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C)c1ncc(C)s1 859920063 WVXPPBJKQLJTPC-SECBINFHSA-N 267.354 1.273 0 50 CDAA C[C@H]1CCC(C)(C)N1C(=O)c1ccc2nnnn2c1 577717501 BHZPMWKUFUQPCT-VIFPVBQESA-N 259.313 1.527 0 50 CDAA Cc1ccc(NC(=O)CCN2CCN(C)CC2)cc1C 19214057 XHJPSILVYWQALM-UHFFFAOYSA-N 275.396 1.879 0 50 CDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1C=CCN1 1857704643 AHNNJKYVVVVTSU-NSHDSACASA-N 274.299 1.188 0 50 CDAA CC[C@H](Cn1cnc2cc[nH]c2c1=O)N1CCCCC1 1857714367 RDLUPFDXERVQAM-GFCCVEGCSA-N 274.368 1.989 0 50 CDAA CO[C@H]1CCN(C(=O)Nc2cccnc2N2CCCC2)C1 331581417 JVNOXGNMAXBZRH-LBPRGKRZSA-N 290.367 1.934 0 50 CDAA COC(=O)[C@H]1CCc2nnc(CCc3ccco3)n2C1 601045649 XZBNLXZHJCLROA-JTQLQIEISA-N 275.308 1.392 0 50 CDAA CC(C)(CNC(=O)c1ccc(F)cn1)C1(O)CCOCC1 416313735 AIYVPIVEOZHVDP-UHFFFAOYSA-N 296.342 1.518 0 50 CDAA CN(C)c1ccnc(C(=O)NC[C@H]2CCCC[C@@H]2O)c1 121111840 QGSJSNRZGGZPMO-RISCZKNCSA-N 277.368 1.429 0 50 CDAA CCc1ccc(C(=O)N2CCOC[C@@H]2c2nnc(C)o2)o1 328614369 VVNGRZZEKHMBED-LLVKDONJSA-N 291.307 1.747 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1CCC1CCOCC1 643829766 KUZZSUZTYAQBPH-OAHLLOKOSA-N 284.400 1.030 0 50 CDAA Cc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 337160098 SKIGCEWVAQZWSH-ARFHVFGLSA-N 289.375 1.997 0 50 CDAA CNC(=O)c1ccc(CN2C[C@H](C)[C@@](O)(C(C)C)C2)cc1 248197453 RGDQYVJPRMDZLD-GUYCJALGSA-N 290.407 1.885 0 50 CDAA CO[C@@H]1CC[C@H](NC(=O)NCc2ncnn2C(C)(C)C)C1 252479656 BJIYEEBDOLRSRK-WDEREUQCSA-N 295.387 1.400 0 50 CDAA CCN1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)CC1 19938316 WMALKCFHAKFVBC-JKSUJKDBSA-N 294.395 1.272 0 50 CDAA O=C(NCC1(CCO)CC1)c1cc(-c2ccccc2)[nH]n1 157693037 WCKGWCCHBZXGCT-UHFFFAOYSA-N 285.347 1.969 0 50 CDAA C[C@@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O 584907465 DEVQMYKDTRIIAV-JTQLQIEISA-N 269.341 1.992 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@@H](O)CCCO 585121775 ZFXXYFUIHFGLAC-ZDUSSCGKSA-N 296.367 1.010 0 50 CDAA CCN1OC[C@@H](n2cc(-c3ccccc3OC)nn2)C1=O 900552907 KACJQLLPNJKSEM-GFCCVEGCSA-N 288.307 1.289 0 50 CDAA C[C@]1(Br)C[C@H]1C(=O)Nc1cc(C(=O)O)ccn1 902103790 UQEUGDMTZBITRZ-CPCISQLKSA-N 299.124 1.892 0 50 CDAA CCn1cc(CN=c2[nH]c(Cl)nc3[nH]ccc23)cn1 1875272117 IOBNILVCIYOZPX-UHFFFAOYSA-N 276.731 1.862 0 50 CDAA CCc1nc(CNC(=O)Nc2cccnc2F)n[nH]1 832032992 XQYIPPATBVKOOH-UHFFFAOYSA-N 264.264 1.223 0 50 CDAA CN(C[C@H](O)CO)C(=O)c1ccnc2cc(Cl)ccc12 935194464 QGKGVJLVHOAFRZ-JTQLQIEISA-N 294.738 1.313 0 50 CDAA CCOC(=O)[C@@H]1CCCN(C2CCN(C)CC2)C1 248228 DHNVWVJYVSKEOI-GFCCVEGCSA-N 254.374 1.356 0 50 CDAA COC(=O)c1cccc(NC(C)=O)c1C(=O)OC 2507091 BLCLLTBPXPJBFH-UHFFFAOYSA-N 251.238 1.218 0 50 CDAA CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CCCS1 259855615 MVTRSHZLRSZPIN-ZJUUUORDSA-N 289.422 1.389 0 50 CDAA c1cn2c(n1)CC[C@H](CNC1CCSCC1)C2 328633435 LZXTUZSSHSIGHR-LLVKDONJSA-N 251.399 1.931 0 50 CDAA CSCCC(=O)N1CC[C@](O)(c2ccccc2)C1 584889369 ABQJNERGCOKCIU-CQSZACIVSA-N 265.378 1.860 0 50 CDAA CC(C)[C@](C)(NCc1nc(C(C)(C)C)co1)C(N)=O 724423788 BLMCSEDJDXKWPP-AWEZNQCLSA-N 267.373 1.962 0 50 CDAA Cc1cc(=O)n2nc(N(C)[C@H]3CC[C@H](O)CC3)sc2n1 2325748496 UAWGFNOHSVDRHP-MGCOHNPYSA-N 294.380 1.199 0 50 CDAA CN(C)[C@H]1C[C@H](C(=O)Nc2ccnn2C[C@@H]2CCOC2)C1 2325785017 ZRUMNEMPAYFDDH-AVGNSLFASA-N 292.383 1.198 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc2nsnc2c1 366874 SWUWVMPEYPUYFV-UHFFFAOYSA-N 271.367 1.722 0 50 CDAA Nc1nc(CC(=O)NCCc2ccccc2)cs1 390558 LVDFTMZYOPQEQF-UHFFFAOYSA-N 261.350 1.627 0 50 CDAA COc1cccc(-c2nnc(SCC(=O)O)o2)c1 417699 IIXQSPCEDBKXAJ-UHFFFAOYSA-N 266.278 1.922 0 50 CDAA CCCN1Cc2nnc(-c3cnn(C)c3C)n2[C@@H](C)C1=O 2356142450 SMTTWRWGGSWIOE-JTQLQIEISA-N 288.355 1.300 0 50 CDAA CCOc1ccccc1N[C@@H]1C=CS(=O)(=O)C1 4371892 QXLCJUHITJQEBF-SNVBAGLBSA-N 253.323 1.808 0 50 CDAA CCc1nc(N2CC[C@H](O)[C@H](CO)C2)c2ccsc2n1 413587703 HNZFCSMHSJLHIC-ONGXEEELSA-N 293.392 1.433 0 50 CDAA Cc1ncccc1CN[C@H]1CCO[C@@H]1c1ccnn1C 343408229 XQDIMTCGSSIZEW-ZFWWWQNUSA-N 272.352 1.743 0 50 CDAA CCS(=O)(=O)N(C)CC(=O)N1CC2(CCC2)C[C@H]1C 225460496 PQYNIOHJPJSSSG-LLVKDONJSA-N 288.413 1.059 0 50 CDAA CCC(=O)NCc1cc(S(C)(=O)=O)ccc1F 225708556 LLPBLKNYIDAUQY-UHFFFAOYSA-N 259.302 1.255 0 50 CDAA CC[C@@H](O)C1CCN(C(=O)Nc2nnc(C)s2)CC1 63834098 HKERBOYJOYGGFI-SNVBAGLBSA-N 284.385 1.861 0 50 CDAA CN1CCC[C@@]2(CCN(c3nccs3)C2)C1=O 67934368 XGQFRSJDEVFCFF-LBPRGKRZSA-N 251.355 1.592 0 50 CDAA Fc1cc(Br)ccc1CN1CCNCC1 22913520 NRCBEINBLSTDHM-UHFFFAOYSA-N 273.149 1.993 0 50 CDAA CCN1CCN(C(=O)COc2cccc(C)c2C)CC1 20233704 ADDJBMINGSSUGT-UHFFFAOYSA-N 276.380 1.846 0 50 CDAA CCCn1nc(C(=O)O)c2c1CC[C@H](N1CCCC1)C2 67758487 XNUVETPAQNNYDL-NSHDSACASA-N 277.368 1.944 0 50 CDAA CC[C@@H]1CN(C(=O)C[C@@H](C)NC(=O)C2CCCC2)C[C@H]1O 332310515 KFEJVZXQNGPIJZ-YRGRVCCFSA-N 296.411 1.301 0 50 CDAA CC(C)CN1CCC[C@@H]1CNC(=O)CCc1ncccn1 360374520 BWULZHJESABWBP-CQSZACIVSA-N 290.411 1.646 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCNC[C@H]1C 124346548 GDUAESQXMLIFOG-VHDGCEQUSA-N 258.365 1.919 0 50 CDAA CC(C)c1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)n[nH]1 332766185 TWMURRGASPJSAF-GWOFURMSSA-N 293.371 1.608 0 50 CDAA C[C@@]1(NC(=O)Cc2cncs2)CCO[C@@H]1C1CC1 332956584 LPSIXCZZLLTLTF-CHWSQXEVSA-N 266.366 1.759 0 50 CDAA Nc1nccnc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253623460 VMBIXVXCYMICSJ-QJPTWQEYSA-N 290.367 1.215 0 50 CDAA Cc1cc(C)n([C@@H]2CCCN(C(=O)/C=C/CN(C)C)C2)n1 363058942 ZFBXIPDDEVPJJD-PMGBHYCQSA-N 290.411 1.781 0 50 CDAA O=C(C[C@@H]1CCCCO1)N1CCNC[C@@H]1c1ccncc1 333338706 XPQXEABZNFXBKA-LSDHHAIUSA-N 289.379 1.514 0 50 CDAA Cc1cc(=O)cc(C(=O)NCc2cncn2CC(C)C)o1 219884377 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1.480 0 50 CDAA COCCn1c(CO)nnc1CCc1ccccc1 136212793 LIHAEJSEMIDWTL-UHFFFAOYSA-N 261.325 1.202 0 50 CDAA Cn1ccnc1[C@H](NC(=O)Cc1ccncc1)C1CC1 222234975 DNJOEUZLJSPAQE-CQSZACIVSA-N 270.336 1.625 0 50 CDAA COc1ccc(C(=O)N[C@@H](C)c2nnc(N)s2)c(O)c1 220704139 ZJJYQESUDSEKJL-LURJTMIESA-N 294.336 1.326 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 532262802 IESRBGNMSHEHQW-CQSZACIVSA-N 289.291 1.607 0 50 CDAA CSCC(=O)N1CCN(c2ncccc2C)CC1 82145779 OCLCMXDHCHIFRK-UHFFFAOYSA-N 265.382 1.402 0 50 CDAA CN1CCC(CCC(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 426606699 FMJDZCZCRHRZAA-CQSZACIVSA-N 290.411 1.505 0 50 CDAA O=C(Cc1ccncc1)N[C@@H]1COCC[C@@H]1OCC1CC1 222868661 GBJXBQUNKYTQRK-CABCVRRESA-N 290.363 1.324 0 50 CDAA O=C(NCCc1nc(C2CC2)no1)c1cncc(Cl)c1 221289679 WFUVICMQWPDLAN-UHFFFAOYSA-N 292.726 1.968 0 50 CDAA Cc1csc(CNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)n1 229167424 KXUJXUJSTWMEOQ-NEPJUHHUSA-N 294.424 1.878 0 50 CDAA O=C(O)c1cncnc1NC[C@@H](O)c1ccccc1F 95387615 MJAKYYURARKYQO-LLVKDONJSA-N 277.255 1.459 0 50 CDAA COc1ccc(-c2cnc3nncn3c2)c(OC)c1 426497538 YEFPXHUBFFNDGL-UHFFFAOYSA-N 256.265 1.809 0 50 CDAA CCC[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1C(=O)O 91547529 LNWKTPHHGKMDFR-DGCLKSJQSA-N 291.351 1.369 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 180114746 OWMXZIYBJRQDBR-GWCFXTLKSA-N 293.273 1.636 0 50 CDAA Cc1cc(C)c(N2CCN(S(C)(=O)=O)CC2)c(C)c1 230517543 DSWKLIRCYDFKCG-UHFFFAOYSA-N 282.409 1.693 0 50 CDAA c1ccn2ncc(-c3nc([C@@H]4CCOC4)no3)c2c1 96137738 JZDWDLMPWAYURI-SECBINFHSA-N 256.265 1.888 0 50 CDAA COCc1ccc(-c2nc([C@H]3CCOC3)no2)o1 96162312 RJHZNFDRGWYGPM-QMMMGPOBSA-N 250.254 1.980 0 50 CDAA Cn1ccnc1[C@H]1CCCN(C(=O)c2ccncc2F)C1 95498362 GEBMAYJBSARSFH-NSHDSACASA-N 288.326 1.974 0 50 CDAA COCC[C@]1(O)CCN(C(=O)c2scnc2C)C[C@H]1C 91536709 CPFWOLRFUVUVAF-QMTHXVAHSA-N 298.408 1.701 0 50 CDAA CCc1cccc([C@H](C(=O)O)N(C)CCOC)c1 95353589 XFTWBXLLUSAZPK-CYBMUJFWSA-N 251.326 1.953 0 50 CDAA O=C1CCCN1[C@@H]1CCCN(Cc2nccs2)C1 97674131 NXUWTQDNVPIONL-LLVKDONJSA-N 265.382 1.730 0 50 CDAA C[C@H]1CN(c2cc([C@H]3C[C@@H](O)C3)ncn2)C[C@@H](C)O1 244620011 FKFBFGZEVKAONV-BKUVIOGVSA-N 263.341 1.329 0 50 CDAA CN1C[C@H](NC(=O)c2cncc(Cl)c2)CCC1=O 244788095 QJHIPPLUYCBXOQ-SNVBAGLBSA-N 267.716 1.086 0 50 CDAA CN(C)C(=O)c1ccc(N(C)C[C@H]2CCCO2)nc1 267214726 MLCTVLYJJRKFRE-GFCCVEGCSA-N 263.341 1.399 0 50 CDAA CC[C@H]1CCCCN1CC(=O)NCC1(CO)CCOCC1 534648715 QBPFKZFBQSLXKK-AWEZNQCLSA-N 298.427 1.156 0 50 CDAA Cc1noc([C@H](C)NC(=O)c2c3c(nn2C)CCCC3)n1 534673894 VFJAIEXZHYBRRO-QMMMGPOBSA-N 289.339 1.481 0 50 CDAA Cc1cccc(C[C@H](C)NC(=O)CCn2cncn2)n1 299780212 MOYOTIRQPKKMHG-LBPRGKRZSA-N 273.340 1.119 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CCCCCN2C)C[C@@H](C)O1 825031263 IAURJXFOCIGWRU-FRRDWIJNSA-N 254.374 1.497 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)c1cncc(O)c1 584895450 QRYCMIRJCDBNQU-UHFFFAOYSA-N 277.368 1.734 0 50 CDAA O=c1c2ncccc2ncn1CCNc1cccnc1 584892877 NYIZJSJIAPSJRD-UHFFFAOYSA-N 267.292 1.299 0 50 CDAA Cc1nncn1CCN1CCCN(C(C)C)CC1 670469394 XVPWMADXWKGPEK-UHFFFAOYSA-N 251.378 1.003 0 50 CDAA 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1.177 0 50 CDAA COC(=O)c1nnn2c1CO[C@H](c1ccc(C)cc1C)C2 643919584 CRTFNTRESBTRDO-ZDUSSCGKSA-N 287.319 1.953 0 50 CDAA O=C(N=c1cc2n([nH]1)CCC2)c1ccc2c(n1)CCC2 2325767701 CEIHRBMDTDGRSU-UHFFFAOYSA-N 268.320 1.387 0 50 CDAA C[C@@H]1CC[C@@H](CC(=O)N2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)OC1 2325796496 UVPJEQIBFLLUCK-LARJDALCSA-N 281.352 1.371 0 50 CDAA O=C(O)[C@@H]1CC=CCN1C[C@H](O)Cc1cccc(F)c1 2325803485 JXRLISAVWHEZCD-KGLIPLIRSA-N 279.311 1.444 0 50 CDAA C=CC(=O)N1CCC(n2ccc(C(=O)OC)n2)CC1 2325885915 MJXGEVMSABYQDZ-UHFFFAOYSA-N 263.297 1.019 0 50 CDAA C[C@@H](C(=O)NC1CCCC1)N1C(=O)c2ccccc2C1=O 172342 KSWJKZKRYBYKME-JTQLQIEISA-N 286.331 1.730 0 50 CDAA CN(N[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 289739 BHWFXNIPQMTLOV-OAHLLOKOSA-N 295.342 1.960 0 50 CDAA O=C(O)CCSc1nnc(-c2cccnc2)o1 411428 OZKFAUOMWGBDHT-UHFFFAOYSA-N 251.267 1.698 0 50 CDAA COc1cc(S(=O)(=O)N(C)C)ccc1Br 529307 GGKPIHFOEIUTQQ-UHFFFAOYSA-N 294.170 1.708 0 50 CDAA Cc1ccc(N(CC(=O)N(C)C)S(C)(=O)=O)cc1C 444273 WITPRHPZENZYAW-UHFFFAOYSA-N 284.381 1.158 0 50 CDAA O=C(NC1CCCCC1)C(=S)N1CCOCC1 2876876 NJSNBZHYYZEIQC-UHFFFAOYSA-N 256.371 1.095 0 50 CDAA CCOCCCNC(=O)C(=O)Nc1cccc(C)c1C 2851332 KUIYYBSYCGYPOZ-UHFFFAOYSA-N 278.352 1.785 0 50 CDAA CSCC[C@@H](NC(=O)c1ccc(C)o1)C(=O)O 3087824 HOVMFGCJNPRZGK-MRVPVSSYSA-N 257.311 1.524 0 50 CDAA O=C1[C@@H]2[C@H](C(=O)N1c1ccncc1)[C@H]1C=C[C@H]2C12CC2 101839268 QAVCKCYIYXBEKS-LPWJVIDDSA-N 266.300 1.783 0 50 CDAA CN(C)[C@@H](CNC(=O)N1CCCO1)c1ccco1 225853765 CKWXTSKYDNUWBG-JTQLQIEISA-N 253.302 1.229 0 50 CDAA C[C@H]1CC[C@@H](C)N1[C@@H]1CS(=O)(=O)[C@@]12C[C@H]1C=C[C@H]2C1 104312279 VSEHSZRGTJJURI-PMKSJIGOSA-N 281.421 1.991 0 50 CDAA CC(C)[C@]12CCC[C@@H]1[C@H]1C=C[C@H]2n2c(=O)n(C)c(=O)n21 101051087 WVIPTVFZOMYAPM-RTWAVKEYSA-N 275.352 1.457 0 50 CDAA Cc1nnc(NC(=O)CSc2ncccn2)s1 100633617 IHKREOJDOFRJKQ-UHFFFAOYSA-N 267.339 1.367 0 50 CDAA O=C(CCn1ccccc1=O)Nc1cnc2n1CCCC2 67856518 ZAYAITJSGUBVFQ-UHFFFAOYSA-N 286.335 1.410 0 50 CDAA NCC(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 67769653 LBOLHWHRKMNALU-UHFFFAOYSA-N 293.273 1.463 0 50 CDAA Cc1nc(CCN)cc(N2CCC(N3CCCC3)CC2)n1 67675866 SQGJMJJJEJKRFV-UHFFFAOYSA-N 289.427 1.351 0 50 CDAA CCOC(=O)CN1CCCOc2c(cccc2OC)C1 67712711 GFPZKQDAQDQHLT-UHFFFAOYSA-N 279.336 1.843 0 50 CDAA O=C1NCCCc2[nH]c(CCOc3cccnc3)nc21 65490710 MALVPDNWZMIQLU-UHFFFAOYSA-N 272.308 1.102 0 50 CDAA COc1cc(NC[C@H]2Cc3ccccc3CN2C)ncn1 65526352 ZIPRVKPZUFYMES-CQSZACIVSA-N 284.363 1.954 0 50 CDAA COc1cccc(C)c1NC(=O)N1CCC[C@@H](C(N)=O)C1 252487888 IDJFWYVJMWCYTE-LLVKDONJSA-N 291.351 1.733 0 50 CDAA Cc1nc[nH]c1-c1n[nH]c(=O)n1CCc1ccccc1 67921797 SAPZMNQMFQDZGQ-UHFFFAOYSA-N 269.308 1.513 0 50 CDAA O=C(O)C1CCN(c2nnc(C(F)(F)F)s2)CC1 26340385 PWQMNLMMMCREOV-UHFFFAOYSA-N 281.259 1.858 0 50 CDAA COc1ccc(NC(=O)NC(=O)C(F)(F)F)cc1 290406 OGUUXDLNNHQLIO-UHFFFAOYSA-N 262.187 1.906 0 50 CDAA biogenic C[C@H]1CN(C(=O)Cn2ccc(=O)c3ccccc32)C[C@H](C)N1 153812743 BAOFCNFPCIGQQP-STQMWFEESA-N 299.374 1.210 0 50 CDAA Cn1cnnc1[C@@H]1CN(Cc2cccs2)CCO1 328624805 CPBBLBUYHCKTNW-NSHDSACASA-N 264.354 1.450 0 50 CDAA O=C(CCCn1cccc1)N1CC(F)(F)C[C@H]1CO 364601563 PTFZSEPLLRAWBV-NSHDSACASA-N 272.295 1.497 0 50 CDAA Cn1cncc1CN1CCCC[C@@H]1CN1CCCC1 215922397 CWWJRBCEGICUHS-CQSZACIVSA-N 262.401 1.870 0 50 CDAA O=C(c1ccn(-c2ccccc2F)n1)N1CCC[C@H]1CO 125108075 QSILKLLCDVSVOW-NSHDSACASA-N 289.310 1.608 0 50 CDAA O=C(NCCOc1cccc2cccnc12)c1cn[nH]c1 216527602 OEPJYEFAWNWRGG-UHFFFAOYSA-N 282.303 1.767 0 50 CDAA O=C(c1ccc[nH]c1=O)N1CC(Oc2ccccc2F)C1 216222821 UBUBPBSWODGPHA-UHFFFAOYSA-N 288.278 1.417 0 50 CDAA CN(CCC1CCOCC1)S(=O)(=O)Cc1ccon1 127249851 RGYNOTPWVXQSJB-UHFFFAOYSA-N 288.369 1.253 0 50 CDAA C[C@@H]([C@H](C)C(=O)N1C[C@H](C2CC2)[C@H]1C1CC1)S(C)(=O)=O 333194646 TTWADTCFWPUWDI-DUBDDPSESA-N 299.436 1.703 0 50 CDAA CC[C@H](C)N(CC(=O)O)C(=O)CN1CCC[C@@H]1C 236895343 KISGEKUHHJGZSH-QWRGUYRKSA-N 256.346 1.182 0 50 CDAA C[C@@H](Oc1ccccn1)C(=O)N1CCC2(CCOCC2)C1 333379742 AZFALYSPPCDEKP-CYBMUJFWSA-N 290.363 1.878 0 50 CDAA C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@@H](C(=O)O)C2)C1 237588069 UCUGOQCJPSSHIX-JHJVBQTASA-N 283.368 1.905 0 50 CDAA COC[C@@H]1CCCCN(CC(=O)Nc2c(C)n[nH]c2C)C1 376370632 SQUZVQINZNIRPA-CYBMUJFWSA-N 294.399 1.714 0 50 CDAA O[C@@H]1CC[C@@H]2CN(c3ncnc4[nH]ccc34)CC[C@@H]2C1 450812829 NVADPJUZRHNTCF-IJLUTSLNSA-N 272.352 1.945 0 50 CDAA CCCn1nc(C)c(CNC(=O)c2cnc[nH]2)c1C 219455575 KGYPBKVUMHINOW-UHFFFAOYSA-N 261.329 1.563 0 50 CDAA COc1cccc2ccc(CN3CC[C@H](NC(C)=O)C3)nc12 216339601 SAMJGZKPSGJLPS-HNNXBMFYSA-N 299.374 1.954 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCc2ccncc21 336050715 WJRPNWUQWREHJQ-UHFFFAOYSA-N 256.309 1.553 0 50 CDAA CC1(C2CC2)CCN(C(=O)N[C@H]2CC[S@](=O)C2)CC1 336331126 NXASLBMNUHFSAF-BUXKBTBVSA-N 284.425 1.729 0 50 CDAA Cc1nc2ccc(N(C)Cc3cnc(C)s3)nn2n1 283512893 JRTRGQMMVPCUIT-UHFFFAOYSA-N 274.353 1.834 0 50 CDAA C[C@@H](CN1CCCCC1)NC(=O)Nc1cccn(C)c1=O 173529492 RVAIRQYCFGCTJQ-LBPRGKRZSA-N 292.383 1.381 0 50 CDAA CCc1oc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)cc1C 456215445 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C[C@@H](N)[C@@H]1CCCCN1C(=O)/C=C/c1ccccn1 237369473 QZGWRFQKVMBVSQ-JWEWWIMNSA-N 259.353 1.823 0 50 CDAA Cc1ccc(OCC(=O)N(C)[C@@H]2CCNC2)c(C)c1 179097433 HUOFNQVXHBTXQU-CYBMUJFWSA-N 262.353 1.503 0 50 CDAA CCc1nnc(N[C@@H](C)c2nncn2CCOC)o1 91365209 GRRFLHZEHTUBAI-QMMMGPOBSA-N 266.305 1.043 0 50 CDAA CC[C@@](O)(CCCO)CNC(=O)Nc1cccc(CN)c1 97117574 VCBQHNUQKZROBE-OAHLLOKOSA-N 295.383 1.180 0 50 CDAA Cc1ccn(CCC(=O)NC[C@H]2COc3ccccc3C2)n1 96141366 WRLBBNQDSZEVDU-AWEZNQCLSA-N 299.374 1.949 0 50 CDAA O=C(NC[C@@]1(O)CCNC1)Nc1cccc2ccccc12 97910776 JSRGSWLXBLTFAC-MRXNPFEDSA-N 285.347 1.686 0 50 CDAA COCC[C@]1(C(=O)O)CCCN(c2ncccn2)C1 92062348 YDKLWNNRCUSDHG-CYBMUJFWSA-N 265.313 1.184 0 50 CDAA CC(C)c1nnc(CN2CCC3(CC2)OCCC[C@@H]3O)o1 95391915 YUEZWCKKNDZHFO-LBPRGKRZSA-N 295.383 1.699 0 50 CDAA O=C(N[C@@H]1CCCNC1)c1cnc(Nc2ccccc2)nc1 97522226 AFFDSIBBQCGHBL-CQSZACIVSA-N 297.362 1.702 0 50 CDAA Cc1cnc(CNC(=O)[C@H]2CCCCCN2C)cn1 97784841 SAKICQGYXIMVHJ-CYBMUJFWSA-N 262.357 1.276 0 50 CDAA O=c1c2cccnc2ccn1CCCn1cccn1 95390495 DREMCLNNIIFYSS-UHFFFAOYSA-N 254.293 1.683 0 50 CDAA Cc1cc(CN(C)c2cc([C@H]3C[C@H](N)C3)nc(N)n2)no1 243932087 BSLFEKNNPZPFRV-MGCOHNPYSA-N 288.355 1.196 0 50 CDAA COC(C)(C)C(=O)NCc1ccc(C(=O)O)cc1 181463813 RGRZSMOTWHEQHL-UHFFFAOYSA-N 251.282 1.426 0 50 CDAA COCCN(C)CC(=O)NCc1ccc2cc[nH]c2c1 243892736 AKGHREGVYVHYOO-UHFFFAOYSA-N 275.352 1.362 0 50 CDAA CC[C@@H](NC(=O)c1c(C)ncn1C)[C@H]1C[C@H](O)C1 244574999 CUYLQOZPJOZNAB-GMTAPVOTSA-N 251.330 1.008 0 50 CDAA NC[C@H]1CCCCN1C(=O)COc1cccc(F)c1 299740115 VYQCFNPFLNQQIW-GFCCVEGCSA-N 266.316 1.544 0 50 CDAA Cc1cc(=O)c(OCC(=O)Nc2ccc(Cl)cn2)c[nH]1 524735483 FHASPKIZBPKYGH-UHFFFAOYSA-N 293.710 1.749 0 50 CDAA C[C@@H]1CCCC=C[C@@H]2C[C@H](O)C[C@@H]2[C@H](O)C=CC(=O)O1 254077096 KQNZDYYTLMIZCT-NIFZNCRKSA-N 280.364 1.962 0 50 CDAA Cn1c(Sc2ccc(F)cn2)nnc1C1CCNCC1 534656705 FXAQVPHHZODAKR-UHFFFAOYSA-N 293.371 1.967 0 50 CDAA CN(Cc1cnc(NCC(=O)O)nc1)Cc1cscn1 534672391 FRTBCONXWYHCDE-UHFFFAOYSA-N 293.352 1.062 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1cc(Cl)ccc1NC 534642186 ROXICSYVYSHBMT-STQMWFEESA-N 298.770 1.915 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1cccs1 534652377 GVZHYOIODMGPMN-QWRGUYRKSA-N 255.339 1.211 0 50 CDAA Cc1cnc(C)c(NC(=O)[C@@]23CCOC[C@@H]2CNC3)c1 715472017 ZNMNIHVNAPJDIJ-SWLSCSKDSA-N 275.352 1.263 0 50 CDAA CN(Cc1cccs1)C(=O)c1ccc(=O)n(C)c1 299849434 QBMYDPHBPHJFSQ-UHFFFAOYSA-N 262.334 1.719 0 50 CDAA CCc1nc(C)c(C(=O)NCCc2nncn2C(C)C)o1 299792166 FQEJDZSJPBRZKQ-UHFFFAOYSA-N 291.355 1.690 0 50 CDAA O=C(c1ccco1)N1CCN(c2ncc(F)cn2)CC1 269505522 RDJAEWJLNWFVMI-UHFFFAOYSA-N 276.271 1.171 0 50 CDAA O=C(NCC1CCN(Cc2ncc[nH]2)CC1)c1ccccn1 828184146 HLTRTUVPXRHXDI-UHFFFAOYSA-N 299.378 1.447 0 50 CDAA Cc1nc(O)nc(C)c1CCC(=O)N(C)CC1(C)COC1 584894377 AQOFYISUFQMQIB-UHFFFAOYSA-N 293.367 1.227 0 50 CDAA COc1cc2c(cc1CNC(=O)[C@H]1CCOC1)OCCO2 584903864 YPGBYYPOLNFSGZ-JTQLQIEISA-N 293.319 1.119 0 50 CDAA OC[C@@H]1C[C@@H](O)CN1CCc1cccc(C(F)(F)F)c1 628237933 DTBQPXJZSJHQRD-QWHCGFSZSA-N 289.297 1.675 0 50 CDAA COc1ccc2ncn(C[C@@]3(C)CCN(C)C3)c(=O)c2c1 584892322 NJGFUBMJKCZBNG-INIZCTEOSA-N 287.363 1.747 0 50 CDAA Cc1nccn1C[C@H]1CCCN(C(=O)c2cnc(O)[nH]2)C1 584894249 YWROLACVUGIIDL-LLVKDONJSA-N 289.339 1.173 0 50 CDAA O=C(N1CCC[C@@H](c2cc[nH]n2)C1)C1(Cn2ccnc2)CC1 670465557 JFSQKVHEZIWSLJ-CYBMUJFWSA-N 299.378 1.793 0 50 CDAA CC(F)(F)C(C)(C)CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553514151 NUNRVGSLZNNABX-ZANVPECISA-N 275.343 1.801 0 50 CDAA Cc1nonc1CNC(=O)N1CCC[C@H](OCC2CC2)C1 876438305 YDZLGESSSUQXAD-LBPRGKRZSA-N 294.355 1.479 0 50 CDAA Cc1nonc1CNC(=O)N1CC[C@H](N2CCCC2)[C@@H]1C 876438299 YBGREDGIDSFNDI-AAEUAGOBSA-N 293.371 1.146 0 50 CDAA CS(=O)(=O)NCCC(=O)Nc1cnc2ccsc2c1 1875276255 QPFIGSQMZFZSGC-UHFFFAOYSA-N 299.377 1.174 0 50 CDAA Cc1ccc(C(=O)N2CC3(COC3)[C@@](F)(C(=O)O)C2)cc1 1875271044 ZFPGCOFAOWASMV-HNNXBMFYSA-N 293.294 1.260 0 50 CDAA CN(C)c1nc2ccc(C(=O)NC3COC3)cc2o1 1875278484 DYYHZKIOPCZCAC-UHFFFAOYSA-N 261.281 1.022 0 50 CDAA C[C@H](ONC(=O)[C@@H]1CCCCO1)c1ccncc1 1875298307 WKNFIBHVLMPVQR-JQWIXIFHSA-N 250.298 1.760 0 50 CDAA C=CC(=O)N1CCC(C(=O)NCCC(F)F)CC1 1875367769 LGLLDYPWQIWSBT-UHFFFAOYSA-N 260.284 1.182 0 50 CDAA CC(C)c1ccc([C@@H](CO)NC(=O)[C@@]23C[C@H](N)[C@@H]2C3)cc1 1875301115 ADEUOPOXOSPZSH-MPTYRVRUSA-N 288.391 1.697 0 50 CDAA O=C(Cn1nnc2cc(F)ccc2c1=O)Nc1ccccc1 1559442531 KOKIUQMLMVYBDH-UHFFFAOYSA-N 298.277 1.569 0 50 CDAA O=C(NC[C@H]1CCCN(c2ncc(Cl)cn2)C1)C1CC1 952873229 JBSJQYQWIIQKIQ-SNVBAGLBSA-N 294.786 1.873 0 50 CDAA Oc1nnc([C@H]2CCCN(c3nccs3)C2)o1 893666177 QWBRCXATNONGAQ-ZETCQYMHSA-N 252.299 1.616 0 50 CDAA CNC[C@@H]1CCCN1S(=O)(=O)c1cc(C)ccc1C 133174030 YXTOTMHFEZVXOJ-ZDUSSCGKSA-N 282.409 1.676 0 50 CDAA Cc1cnc(C(=O)N[C@]23CCC[C@H]2NCC3)cc1C 1342292334 AYTTZKNTUAUYJM-HIFRSBDPSA-N 259.353 1.713 0 50 CDAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCS1(=O)=O)C(F)(F)F 1776005432 BQDXZOPMDVPQTF-FXQIFTODSA-N 287.303 1.267 0 50 CDAA CCc1cc(C(=O)N2CC(c3nc(C)no3)C2)cc(O)n1 1776002576 PDXFFBIZSKONHO-UHFFFAOYSA-N 288.307 1.281 0 50 CDAA Cc1cnn(C)c1CN[C@H](C(N)=O)c1ccc(Cl)cc1 1363885736 VQRJYVLAJRLCQH-ZDUSSCGKSA-N 292.770 1.698 0 50 CDAA C[C@H]1CN(c2nccc(N)n2)CC[C@]1(O)C1CCC1 1565528830 XKFDDXBJOABGCB-IINYFYTJSA-N 262.357 1.436 0 50 CDAA O=C(Nc1cc2c(nc1O)CCCC2)[C@]12CC[C@H]1CNC2 1580761436 QERTYRZQSXUGTO-ZBEGNZNMSA-N 287.363 1.604 0 50 CDAA C/C(=C\C(=O)N1CCO[C@@H](CC(=O)O)C1)C1CC1 271907771 OOIXBNUUKVRWCS-LAHYYIKRSA-N 253.298 1.045 0 50 CDAA C[C@H](C(=O)NCC1=CCN(C)CC1)n1cnc2ccccc21 271962555 ZDPRAFIYUHMYIB-CYBMUJFWSA-N 298.390 1.975 0 50 CDAA C[C@@]1(C(=O)O)CCCN1S(=O)(=O)C[C@H]1CCC1(F)F 630447441 YDSRKNIRZKLDNZ-SCZZXKLOSA-N 297.323 1.301 0 50 CDAA C[C@@]1(NS(=O)(=O)c2ccccc2)CCO[C@@H]1C1CC1 273030271 BYOYVMCOOONVPK-ZIAGYGMSSA-N 281.377 1.923 0 50 CDAA CN1CCO[C@@H](CN(Cc2ccc(CO)o2)CC2CC2)C1 275675310 LTTVISFTGKSVGR-MRXNPFEDSA-N 294.395 1.315 0 50 CDAA CC(C)Oc1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)ccn1 408094279 RTUUDBJGQYSUMV-YPMHNXCESA-N 278.352 1.712 0 50 CDAA CC1=NO[C@@H](C(=O)N2CCOC3(CCCCC3)C2)C1 408523186 PNTSSBQQUYSDOE-GFCCVEGCSA-N 266.341 1.713 0 50 CDAA C[C@@H](CCc1cccc(F)c1)N1CCO[C@@H](C(N)=O)C1 221785764 OXSADRJXEUTUSC-SMDDNHRTSA-N 280.343 1.333 0 50 CDAA CN1CCO[C@@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 170642033 XHQKTBKFEIXJFK-UZZMVUAXSA-N 292.423 1.650 0 50 CDAA O=C(O)c1ccc(CN2CCOC[C@H]2[C@@H]2CCCO2)cc1 584118818 MSMMZWOCGTWKDA-GJZGRUSLSA-N 291.347 1.765 0 50 CDAA CCc1nc(CN2CCC[C@H]2c2ncccn2)n[nH]1 639863739 BEBKEJARZZEFAM-JTQLQIEISA-N 258.329 1.494 0 50 CDAA CC(C)(C)n1cc(C(=O)NNc2ccccn2)nn1 190029949 WTLBVGJHAYOHOL-UHFFFAOYSA-N 260.301 1.185 0 50 CDAA CCCn1ccnc1CNC1CCN(C(C)=O)CC1 61877980 ZTSLJHQGOSGRCT-UHFFFAOYSA-N 264.373 1.394 0 50 CDAA CCOc1cc(C)ccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)O 192983105 CASVDKVHDKCTRG-NEPJUHHUSA-N 277.320 1.731 0 50 CDAA CCN(C(=O)c1cccc2c1CCC2)[C@H]1CC(=O)NC1=O 195158874 BVYSXRRJKFQJKE-ZDUSSCGKSA-N 286.331 1.053 0 50 CDAA C[C@H](CC(=O)N1CCC[C@@H]1c1cccnc1)NC(N)=O 654419490 ZCEWJVQXUBGREM-ZYHUDNBSSA-N 276.340 1.192 0 50 CDAA C[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)c1ccc(C(=O)O)cc1 570098405 QOPSOPJIIJCJBY-GIPNMCIBSA-N 276.336 1.501 0 50 CDAA CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H]1C[C@@H]3C[C@@H]3C1)CC2 667791239 HAUDYIXCSAMZPR-RNJOBUHISA-N 288.395 1.879 0 50 CDAA C=CC(=O)NCCC(=O)Nc1ccc(N2CCCC2)cc1 773259828 CTKKUTHRHJYCSR-UHFFFAOYSA-N 287.363 1.918 0 50 CDAA CCN(C[C@H]1CCCO1)C(=O)CSc1nnc(C)o1 1506431479 LVIJZSIAJDXUAQ-SNVBAGLBSA-N 285.369 1.498 0 50 CDAA CNC(=O)c1nc(C(C)C)ncc1Br 929816899 WWBFKENVTAIUKO-UHFFFAOYSA-N 258.119 1.722 0 50 CDAA CCCNC(=O)c1sc(N2CCOCC2)nc1C 1857697852 PAOPMQDCWIYRMQ-UHFFFAOYSA-N 269.370 1.428 0 50 CDAA Cc1c(C)[n+]([O-])c(-c2ccccc2O)n1CC(=O)O 1547200747 BYOWNCVCHTWNKK-UHFFFAOYSA-N 262.265 1.196 0 50 CDAA COCCn1cc(CN[C@H]2COC(C)(C)C2)cn1 418158891 YNCMAXLWAXPXEX-GFCCVEGCSA-N 253.346 1.187 0 50 CDAA Cn1nnc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)n1 330865943 UZDVUGROWYJRFW-UHFFFAOYSA-N 293.636 1.092 0 50 CDAA Cc1ccc(CCC(=O)N2CC[C@@](C)(C(=O)O)C2)o1 237677414 MSZGEUMUJMWIBV-CQSZACIVSA-N 265.309 1.844 0 50 CDAA O=S(=O)(CC1CCC1)N1CCC[C@@H]1[C@@H]1CCCO1 334231478 LLYYYGQJGYGYMU-OLZOCXBDSA-N 273.398 1.760 0 50 CDAA CNC[C@H]1CCCN1S(=O)(=O)c1cc(C)sc1C 133189217 FVLCOSRQNIBVTK-LLVKDONJSA-N 288.438 1.737 0 50 CDAA CCN(CC)C(=O)C[C@@H](C(F)F)N1CCOCC1 1615586292 METBLLNUQKWHFS-JTQLQIEISA-N 264.316 1.211 0 50 CDAA COCCC1(S(=O)(=O)N(C)Cc2ccoc2C)CC1 1616034683 RJWXXCYHDHJSCN-UHFFFAOYSA-N 287.381 1.919 0 50 CDAA CCN(CCN1CCCC1)c1ncccc1C(=O)O 1529133515 NHVISDKDXVKMOI-UHFFFAOYSA-N 263.341 1.702 0 50 CDAA O=C(O)COc1ccccc1CN1CCC[C@@H]1C1(O)CC1 1772810232 JJSJDJXUNRFILF-CQSZACIVSA-N 291.347 1.639 0 50 CDAA Cc1cnc(CN(C)C(=O)[C@](C)(N)Cc2ccccc2)[nH]1 1775964940 MPTMVGUTCSMJIP-MRXNPFEDSA-N 286.379 1.637 0 50 CDAA CCCCn1c(=O)c2[nH]cnc2n(CCCC)c1=O 12405693 HDAPVDGMACVEKL-UHFFFAOYSA-N 264.329 1.487 0 50 CDAA in-vitro O=C(Nc1nnn[nH]1)C1(c2ccccc2)CCCC1 5063695 WELKFKZQGDWQRQ-UHFFFAOYSA-N 257.297 1.650 0 50 CDAA CCC(=O)N(C)c1ccc2c(c1)nc1n2CCOC1 13541530 MEOQDCVCGSUYER-UHFFFAOYSA-N 259.309 1.939 0 50 CDAA CNc1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 15073335 WFPKZMHXEFLZJY-UHFFFAOYSA-N 299.378 1.872 0 50 CDAA CC1=C[C@H](C)[C@H](CNCCN2CCNCC2)[C@H](C)C1 19771012 VYWIPLBVFRKSKW-XHSDSOJGSA-N 265.445 1.720 0 50 CDAA COC(=O)c1ccc(-c2nccn2[C@@H]2CCN(C)C2=O)cc1 1857666220 WMPQZGZBDZGYAM-CYBMUJFWSA-N 299.330 1.740 0 50 CDAA Cc1ccc2ncnc(N3CC[C@@]4(CN(C)CCO4)C3)c2n1 1857680923 XYXCMGQUUJTGAL-MRXNPFEDSA-N 299.378 1.244 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)[C@H]1CCc3ncnn3C1)C2 1857724690 NCEMPEKFZBKHGU-NSHDSACASA-N 283.335 1.086 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)COCCc2ccccc2)C1 237777575 ZNPSBYFAVGZJCZ-INIZCTEOSA-N 291.347 1.569 0 50 CDAA CCOc1ccc(-n2nnc(C(=O)O)c2CC)cc1 11730568 NHIIUZKMBHIQTA-UHFFFAOYSA-N 261.281 1.927 0 50 CDAA in-vitro O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCC[C@@H]1CCC(=O)N1 606444762 LFPCGSZRTQTJDG-RVMXOQNASA-N 264.369 1.598 0 50 CDAA O=C(c1cc[nH]n1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 225528488 IUGDMTIHFFQWSG-ZANVPECISA-N 293.273 1.636 0 50 CDAA CC(C)C[C@H](NC(=O)OCc1ccccc1)C(N)=O 2571885 JZEYMGMOBIYUOV-LBPRGKRZSA-N 264.325 1.813 0 50 CDAA in-vitro Cc1noc([C@@H]2CN(C[C@@H]3CCCCO3)CCN2C)n1 328985367 ZONMGOWLIVTUKC-STQMWFEESA-N 280.372 1.236 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cnc(C)cn1 239672774 BVEIEYCGEHWPQZ-YRRQLQLVSA-N 289.335 1.103 0 50 CDAA N[C@H](CNC(=O)[C@@H]1CCC[C@@H](N)C1)c1ccccc1 262569272 GBDOBAJGPYINKA-MGPQQGTHSA-N 261.369 1.320 0 50 CDAA O=C(O)CN1CCN(C[C@@H]2CCOc3ccccc32)CC1 162029376 NOHIYOLQSXPUAW-ZDUSSCGKSA-N 290.363 1.255 0 50 CDAA Cc1nc(C)c(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)[nH]1 1647604201 BPPUUEMSRDNTNH-VIFPVBQESA-N 279.262 1.458 0 50 CDAA CC(C)(NC(=O)[C@@H]1CC12CC2)c1cc(C(=O)O)on1 909925877 AUCUNWMKZNEFCF-ZETCQYMHSA-N 264.281 1.524 0 50 CDAA COc1nccc(C(=O)N2CCC3(CCC3)CC2)n1 935952944 PKHRCBDAJWECJJ-UHFFFAOYSA-N 261.325 1.892 0 50 CDAA CCCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3C(C)C)n[nH]1 1032553089 MMJNBCAQAVRVLF-STQMWFEESA-N 276.384 1.669 0 50 CDAA Cc1cc2ncn([C@H]3CC(=O)N(C)C3=O)c2cc1C 100268262 UBWHKBKIXHRVDB-LBPRGKRZSA-N 257.293 1.583 0 50 CDAA COc1ccc(Cl)cc1CC(=O)NC1(C(=O)O)CC1 203647997 QMAYNIYULJDRGD-UHFFFAOYSA-N 283.711 1.625 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)c3ccncc3)C2)n1 222991716 UMYUVMMTPKVDFY-UHFFFAOYSA-N 256.309 1.592 0 50 CDAA Cc1ocnc1C(=O)NC[C@H](CC(C)C)C(=O)O 225550994 PKUHADMVHPVGNT-VIFPVBQESA-N 254.286 1.460 0 50 CDAA COC[C@@](C)(CC(=O)O)NC(=O)c1ccsc1 237199930 UNAGAGVLFBHUSX-LLVKDONJSA-N 257.311 1.358 0 50 CDAA O=S(=O)(NC1(C(F)F)CCCC1)c1ncc[nH]1 632340774 NOQIOVFTMOJUHZ-UHFFFAOYSA-N 265.285 1.266 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)c1ncnc(N)c1Cl 369545110 CTVHLCHROIVGPD-SECBINFHSA-N 292.774 1.608 0 50 CDAA O=C(CNC1(C(=O)O)CCCCCC1)NCC(F)(F)F 888099860 ZJUSLLVPCXKPBQ-UHFFFAOYSA-N 296.289 1.432 0 50 CDAA Cc1nnc(SCc2c(C)noc2C)nc1O 8582867 MAOUMAOCNWVKAU-UHFFFAOYSA-N 252.299 1.783 0 50 CDAA O=C1C[C@@H](CC(=O)N[C@@H]2CC[C@H]3C[C@H]3CC2)CCCN1 2325781005 BFPBZMYQVMTNOE-IGQOVBAYSA-N 278.396 1.988 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CC[C@@H](c3nc(=O)o[nH]3)C2)cs1 2325821900 LATLKQIMYNCZAS-PSASIEDQSA-N 293.348 1.799 0 50 CDAA N[C@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 132692460 RFTPGSMEPGPQLE-GFUIURDCSA-N 267.332 1.808 0 50 CDAA Cc1c(Cl)cccc1OCC(=O)N[C@H](C)C(=O)O 237618150 GAHVXUPAMNOFOD-MRVPVSSYSA-N 271.700 1.617 0 50 CDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)C(F)(F)F 248484694 KEYQXOIETYMYKI-VLEAKVRGSA-N 295.301 1.716 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 29140 HLPQSOXNZKVGRM-UHFFFAOYSA-N 282.365 1.866 0 50 CDAA CN(C)c1cccc2c(S(N)(=O)=O)cccc12 56543 TYNBFJJKZPTRKS-UHFFFAOYSA-N 250.323 1.553 0 50 CDAA in-vivo COC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CCCC2 459349 QZGUIXUSLQTKAZ-UHFFFAOYSA-N 291.328 1.843 0 50 CDAA O=C(CNC(=O)c1ccc(Cl)cc1)NC1=NCCS1 613888 AFPLSOAGKAOTCI-UHFFFAOYSA-N 297.767 1.289 0 50 CDAA Cc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1 818870 IQOFOHKOBIKGTB-UHFFFAOYSA-N 280.334 1.408 0 50 CDAA COCCNC(=O)Cn1cc(C(=O)OC)c2ccccc21 2845451 SJJGSIQSDAEGDN-UHFFFAOYSA-N 290.319 1.191 0 50 CDAA COC(=O)[C@](O)(c1ccc(N(C)C)cc1)C(F)(F)F 3879083 RZGZILZYXDTSRZ-LLVKDONJSA-N 277.242 1.676 0 50 CDAA CC1=C[C@H](C)[C@H]2C(=O)N(Cc3ccc[n+](C)c3)C(=O)[C@H]2C1 4124578 PYBDZRRKYOKDCJ-AEGPPILISA-N 285.367 1.598 0 50 CDAA O=C(NCc1ccco1)c1ccc2c(c1)OCCO2 4750317 YHMGMKQOYXOWCO-UHFFFAOYSA-N 259.261 1.981 0 50 CDAA O=C(CCS(=O)(=O)c1ccccc1)Nc1nncs1 4815820 ADCQIRNYPJAMEL-UHFFFAOYSA-N 297.361 1.341 0 50 CDAA Nc1c(C(=O)NC2CCCC2)nnn1-c1ccc(F)cc1 4984666 ONZKRSDVYXZAHH-UHFFFAOYSA-N 289.314 1.661 0 50 CDAA O=C(NCCN1C(=O)c2ccccc2C1=O)c1ccccn1 7871699 OLURVTNEZHCHLT-UHFFFAOYSA-N 295.298 1.108 0 50 CDAA Cc1cc(C)n(Cc2nc(Cc3cc(C)on3)no2)n1 225594944 APLBMCGQBPNIGE-UHFFFAOYSA-N 273.296 1.818 0 50 CDAA O=C(N[C@H]1C[C@H]1c1cccc(F)c1)[C@H]1C[C@H]1C(=O)O 247282357 SWKKRJVJFJKBMI-YFKTTZPYSA-N 263.268 1.519 0 50 CDAA CCOC(=O)CN(C)[C@H]1COc2c(cccc2OC)C1 23214334 JHYWFFCTOAYASJ-GFCCVEGCSA-N 279.336 1.494 0 50 CDAA CC1CCN(C(=O)CCN[C@@H]2CCSC2)CC1 65370794 FQGGDCKNSCZRTR-GFCCVEGCSA-N 256.415 1.730 0 50 CDAA CCOc1ncccc1CNc1ncnc2c1CCNCC2 72419939 GGUOISMILYYACQ-UHFFFAOYSA-N 299.378 1.571 0 50 CDAA COc1cc(C[C@]2(C)NCCc3[nH]cnc32)ccc1O 65497231 PJTHCPDXHRQZMO-HNNXBMFYSA-N 273.336 1.728 0 50 CDAA O=C(O)[C@H]1CS[C@H](c2ccc3c(c2)OCO3)N1 53470 XFGXAJCIOOXIGL-GMSGAONNSA-N 253.279 1.204 0 50 CDAA biogenic CCc1nc2ncc(C(C)=O)c(/C=C/N(C)C)n2n1 66324805 GUYJQLLDORLEPY-VOTSOKGWSA-N 259.313 1.422 0 50 CDAA COCCS(=O)(=O)N1Cc2ccc(O)cc2C2(CC2)C1 360414783 QOWSAXMKNVNXIL-UHFFFAOYSA-N 297.376 1.216 0 50 CDAA COc1ncccc1CN1C[C@@H](CO)Oc2ccccc21 365347464 ZYJOAHCIPGYCNG-ZDUSSCGKSA-N 286.331 1.850 0 50 CDAA Cc1nc(CNC(=O)c2cccc(=O)[nH]2)nc2c1CCCC2 215988871 BQZDHBULWHSLIZ-UHFFFAOYSA-N 298.346 1.282 0 50 CDAA CSCC[C@@H](CO)Nc1cc(C)nc2ccnn12 72422788 SMBBOUUGGPJQER-JTQLQIEISA-N 266.370 1.564 0 50 CDAA COc1ncccc1CN1CCO[C@H](C)[C@H]1C(=N)O 330590378 YRBYPBFHRSLOIX-KOLCDFICSA-N 265.313 1.215 0 50 CDAA C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CCCS(=O)(=O)C1 328764037 OOTALTXSNWILEE-QWRGUYRKSA-N 273.398 1.458 0 50 CDAA O=C(Nc1nc(Br)ccc1O)[C@H]1CCOC1 156347737 KHIVZLYSVCIBRC-LURJTMIESA-N 287.113 1.525 0 50 CDAA COc1cccc2c1OCCCN(C[C@]1(O)CCNC1)C2 77385452 VFAZAEVTTKZLSF-INIZCTEOSA-N 292.379 1.004 0 50 CDAA Nc1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cn1 217406756 HDGVLDNRZWYXHS-UHFFFAOYSA-N 293.330 1.780 0 50 CDAA CC(C)CCN1CC2(CCN([C@H](C)CO)CC2)OC1=O 72433626 KUFVQLKTZNFMKJ-CYBMUJFWSA-N 284.400 1.700 0 50 CDAA O=C(N[C@@H]1CC[S@](=O)C1)[C@@H]1CCCc2cccnc21 333344286 PWLDAUNQPFUPPU-CLUVUEOHSA-N 278.377 1.139 0 50 CDAA COc1ccc(N2CCN(C(=O)[C@@H](C)C3CC3)CC2)nc1 456977618 FGUMSVQQHOBFDE-LBPRGKRZSA-N 289.379 1.785 0 50 CDAA CC(C)c1ccoc1C(=O)N[C@@H](C)C[S@@](C)=O 284768096 SQJGYWKLRNJWKO-HUTHGQBESA-N 257.355 1.900 0 50 CDAA Cc1noc(C(C)(C)NC(=O)c2cscn2)n1 284898973 NHQXBKIDNIJPHK-UHFFFAOYSA-N 252.299 1.500 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)[C@H]1CCCCO1 335309877 YPNMRIPLSXGQKK-VXGBXAGGSA-N 263.341 1.131 0 50 CDAA Cc1nc(NC[C@@H](O)CO)nc(C)c1CC(C)C 133464857 IYQZGVWOZCHPPW-LLVKDONJSA-N 253.346 1.057 0 50 CDAA C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccoc1)C2 221276386 HNOKKGSQEJVOKP-VIFPVBQESA-N 261.281 1.185 0 50 CDAA c1ccc(-n2nnnc2Cn2ccnc2[C@@H]2CCOC2)cc1 82108277 UNPRILPFDVQTHW-GFCCVEGCSA-N 296.334 1.411 0 50 CDAA C[C@@H](CC(=O)N(C)[C@H]1CCNC1=O)c1ccco1 528918583 XKGAMAXPIIKKGO-UWVGGRQHSA-N 250.298 1.120 0 50 CDAA CSC[C@H](NC(=O)COCc1ccccc1)C(=O)O 426387366 YOZHIXIPEOPQPL-NSHDSACASA-N 283.349 1.136 0 50 CDAA Cc1c[nH]nc1CN1CCC[C@H]1C(=O)NCc1ccco1 290387926 JCYFAJWGFXGXTH-AWEZNQCLSA-N 288.351 1.592 0 50 CDAA O=C(O)[C@H]1Cc2c(Br)cccc2CN1 223686277 CDYAVXBKLHMJBS-SECBINFHSA-N 256.099 1.548 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2nc3ccccc3[nH]2)C1 82271673 MNEHNUNHLSPUBL-SECBINFHSA-N 273.292 1.500 0 50 CDAA CCN(C)C(C)(C)CNC(=O)[C@H](C)n1ccnc1C 426624956 YYXYBLURYOKWMX-NSHDSACASA-N 266.389 1.599 0 50 CDAA Cc1ccc(OCCNC(=O)N2CCC[C@H](N)C2)cc1C 426398019 GYMGLGZLUFOTBP-AWEZNQCLSA-N 291.395 1.815 0 50 CDAA O=C(C1Cc2ccccc2C1)N1[C@H]2CC[C@@H]1CCNC2 426439055 UXIZAGBEFFDVAB-CVEARBPZSA-N 270.376 1.754 0 50 CDAA CN(CC(=O)O)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 237154562 OOZAFDRROAOZCK-ZJUUUORDSA-N 269.247 1.611 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3CCCN[C@@H]3C2)cc(C)n1 97551309 IPDBASIBVAOWMU-GXTWGEPZSA-N 259.353 1.522 0 50 CDAA CCc1cnc(NC[C@H](O)c2cccc(O)c2)nc1 95362613 SPAWRZYKMRRKLP-ZDUSSCGKSA-N 259.309 1.890 0 50 CDAA CCCc1cc(C(=O)NCc2nccn2CCC)n[nH]1 91603341 VHMPWGQUTNXFNS-UHFFFAOYSA-N 275.356 1.899 0 50 CDAA Cc1nc(C(=O)N2[C@H]3CC[C@@H]2CCNC3)c(C)s1 97515046 YCLLQVHBOZYTRF-MNOVXSKESA-N 265.382 1.726 0 50 CDAA COc1ncccc1C(=O)Nc1nncn1-c1ccccc1 181100638 BKDVDMFUPRWYIQ-UHFFFAOYSA-N 295.302 1.923 0 50 CDAA Cc1cc2c(cc1CN1CCOC[C@@H]1C(=O)O)OCO2 244723978 MLEMVYVDKKYBPM-LLVKDONJSA-N 279.292 1.009 0 50 CDAA CC[C@@H]1CN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)CCN1C 244574916 CTKNZZFMHHLGEX-NXCUJCASSA-N 278.440 1.952 0 50 CDAA CCC1(CNC(=O)c2ncoc2C2CC2)COC1 622655367 JMRSEBLGSYAXPL-UHFFFAOYSA-N 250.298 1.708 0 50 CDAA CNC[C@H]1CCN(C(=O)[C@@H]2CSc3ccccc3O2)C1 299739004 JJVOGNINPXWDHL-YPMHNXCESA-N 292.404 1.608 0 50 CDAA COc1cccc(-c2cc(CNC(=O)[C@@H]3C=CCN3)no2)c1 534645492 YYCMBCIMSBXXTP-AWEZNQCLSA-N 299.330 1.494 0 50 CDAA CCCn1ccnc1CNC(=O)[C@H](C)n1cc(C)cn1 534655571 UQWCTMCNNRLBPA-LBPRGKRZSA-N 275.356 1.675 0 50 CDAA CO[C@H](C)c1ccc(-c2nc(C(=O)O)nn2C)cc1 534653677 XUOKAOAMFGCFGF-MRVPVSSYSA-N 261.281 1.888 0 50 CDAA CC(C)[C@@H](CNC(=O)c1ccc(O)c(F)c1)N(C)C 534577365 FWNHPSRNZCLUKT-GFCCVEGCSA-N 268.332 1.847 0 50 CDAA Cc1c(C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)ccn1C 299801023 XXERLRCRHSUKGU-ZDUSSCGKSA-N 291.395 1.662 0 50 CDAA COCC1(CNC(=O)C[C@H]2CCCOC2)CCC1 800054386 VIXDXEYNNLMJHZ-GFCCVEGCSA-N 255.358 1.736 0 50 CDAA CC(C)[C@@H](NC(=O)c1cccn1C)c1nccn1C 299757249 JGTALTYXTLFRNT-GFCCVEGCSA-N 260.341 1.886 0 50 CDAA O=S(=O)(c1ccsc1-c1nc[nH]n1)N1CCCC1 828392504 GHVGZFPLYZYHMC-UHFFFAOYSA-N 284.366 1.318 0 50 CDAA CCCCn1nc(CC(N)=O)nc1-c1ccc2nn[nH]c2c1 822888805 KSUUPDGGYBTMDO-UHFFFAOYSA-N 299.338 1.044 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)c1cncc(F)c1 826630286 CQFVOZICROVVBW-VIFPVBQESA-N 277.303 1.884 0 50 CDAA CCc1nc(-c2cc(C)n(C)n2)n(-c2ccncc2)n1 823562740 XWJWSANFDUJNAF-UHFFFAOYSA-N 268.324 1.934 0 50 CDAA COCCCCN1CCN(C(=O)[C@]2(C)CCCCO2)CC1 584895838 LQFLXFTYBPBZCV-INIZCTEOSA-N 298.427 1.516 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)c2[nH]nnc2C)n1 584901218 OCNPJVOKYMCYKF-SECBINFHSA-N 259.313 1.178 0 50 CDAA O=c1ccc(-c2ccccc2)nn1CCN[C@H]1CCOC1 584890973 YYBGYVPRBVTNTF-AWEZNQCLSA-N 285.347 1.289 0 50 CDAA CN(C)C[C@@H]1COCCN(C(=O)CCc2ccncc2)C1 670439292 QFYWJTPYFWMBDK-HNNXBMFYSA-N 291.395 1.051 0 50 CDAA CCCC(=O)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)O)nn1 1551455867 QGEJSORQBYSBGI-KOLCDFICSA-N 280.328 1.376 0 50 CDAA CN1CCN(c2ncnc3c2nnn3C2CC2)CC1(C)C 1875275748 HBJQPEPUTVWHDN-UHFFFAOYSA-N 287.371 1.087 0 50 CDAA CC(C)(C)c1nc(=NC(=O)N[C@@H]2C[C@@H]3COC[C@@H]32)s[nH]1 1875277171 BOMUEPZOQWHSRE-HRDYMLBCSA-N 296.396 1.414 0 50 CDAA Oc1nc(O)c2c(n1)CN(C[C@]13C[C@H]1COC31CCC1)C2 1875299148 AVWRJJHIKJCWSN-LKFCYVNXSA-N 289.335 1.163 0 50 CDAA Cn1cncc1CNC(=O)N1CC(c2ccccc2)C1 875591151 FFPUWKSXIKCLCN-UHFFFAOYSA-N 270.336 1.729 0 50 CDAA COC(=O)c1cc(C(C)(C)NC(=O)c2ccccc2)n[nH]1 1875313336 PCDBTOJYAXBRIL-UHFFFAOYSA-N 287.319 1.861 0 50 CDAA C=CC(=O)N(C)CC(=O)NCc1sccc1CC 1875366196 FUFOYDRJUQVTAB-UHFFFAOYSA-N 266.366 1.571 0 50 CDAA CC1(c2ccccc2)CC(C(=O)N=c2cc(C(=O)O)[nH][nH]2)C1 1875313616 RBVKDPHFMMGHQA-UHFFFAOYSA-N 299.330 1.836 0 50 CDAA C[C@@H](C(=O)NS(C)(=O)=O)c1coc2ccncc12 1875382493 CYGSWUMTZCNMFE-SSDOTTSWSA-N 268.294 1.007 0 50 CDAA CCOC(=O)[C@H](F)[C@@H]1CCN(Cc2c(C)nnn2CC)C1 952882227 JOCDAFMWODHPDF-DGCLKSJQSA-N 298.362 1.330 0 50 CDAA O=S(=O)(c1cn[nH]c1)N1CCCN(C2CCCC2)CC1 952980906 QXHZILRIKSYDOJ-UHFFFAOYSA-N 298.412 1.049 0 50 CDAA Cn1c(=O)c2ccccc2n1Cc1cc(O)nc(C2CC2)n1 1336167442 DCRGWNIEQHHHSN-UHFFFAOYSA-N 296.330 1.761 0 50 CDAA C[C@@H](CN(C)c1ncnc(-c2ccccc2)n1)c1nn[nH]n1 1337387898 SGJRLFXANGZKQG-JTQLQIEISA-N 296.338 1.292 0 50 CDAA CC(C)(C)OC(=O)N1CC(n2ccc(C=O)n2)C1 1772716708 PGVNLHJGKSCPBR-UHFFFAOYSA-N 251.286 1.487 0 50 CDAA CCNC(=O)CNC(=O)c1cc(Cl)c(O)cc1C 1775998464 CWOKKLKLSFCNLU-UHFFFAOYSA-N 270.716 1.220 0 50 CDAA COC(=O)c1cccc(CN2CCC(N(C)OC)CC2)c1 1775994463 PLHUPQUMQOKORV-UHFFFAOYSA-N 292.379 1.931 0 50 CDAA O=C(N1CCC[C@@H](N2CCCC2)C1)C1(O)CCCCC1 86538973 BGZFADUBPIZNIJ-CQSZACIVSA-N 280.412 1.768 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCC1(CO)CCOCC1 408474506 AUQXXKSQWLXABJ-OLZOCXBDSA-N 285.384 1.097 0 50 CDAA O=C(c1ccc(O)cn1)N1CCn2nc(C3CC3)cc2C1 1363026213 ZLZPZCOPJOEPHU-UHFFFAOYSA-N 284.319 1.517 0 50 CDAA C[C@H]1CCC[C@H](N2CCN(CCOCCO)CC2)C1 19635967 HZSLFDRTPGGPNO-GJZGRUSLSA-N 270.417 1.192 0 50 CDAA C[C@H]1C[C@@H](Nc2nccn3cnnc23)CN1C1CC1 271295907 FQCBIAIAPDNYSW-VHSXEESVSA-N 258.329 1.161 0 50 CDAA CCn1ncnc1CNc1ccc(NC(=O)C2CC2)nc1 638895609 RXVHLNQLJZABPN-UHFFFAOYSA-N 286.339 1.654 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cccn1C(C)C 644058615 HCDKVSFPMYHVCB-HNNXBMFYSA-N 293.367 1.176 0 50 CDAA Cc1cc(CCNC(=O)c2cc(O)nc(C3CC3)n2)on1 564349268 LINMQXGEZDLACR-UHFFFAOYSA-N 288.307 1.329 0 50 CDAA Cc1cc(C)c(OCC(=O)N2CCC[C@H](N)C2)c(C)c1 195109387 XJAWSXSNAOSRGX-AWEZNQCLSA-N 276.380 1.940 0 50 CDAA O=C1CC[C@H]2CN(C(=O)NCc3ccco3)CC[C@@H]2N1 656548055 PZRUBDITWRWIGH-JQWIXIFHSA-N 277.324 1.090 0 50 CDAA CC(C)(O)Cn1cc(-c2ccc(S(C)(=O)=O)cc2)cn1 665179679 VLGFLVPLGDRAHP-UHFFFAOYSA-N 294.376 1.725 0 50 CDAA C[C@@H]1C(=O)N(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C(=O)N1C 585128253 XAIUUGFRCHVFPH-VPOLOUISSA-N 279.340 1.126 0 50 CDAA COC(=O)C1CC2(CNC[C@@H]2C(=O)OC(C)(C)C)C1 585139543 WAIXTEHZHVQHLH-OPASDULOSA-N 269.341 1.117 0 50 CDAA CCc1cc(N2CCN(c3nccnc3C)CC2)nc(C)n1 685038955 KFSYFCWLUZKJNK-UHFFFAOYSA-N 298.394 1.772 0 50 CDAA c1cc2c(cc1CN1CC[C@H]3CC[C@@H](C1)N3)OCCO2 97243842 HUKHLPDNHGWSHI-KGLIPLIRSA-N 274.364 1.784 0 50 CDAA CCC[C@H]1CN(c2ccnc(C)n2)C[C@@H]1NC(C)=O 212002803 AZCYDJOYDJWYJM-STQMWFEESA-N 262.357 1.526 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)N2CCCC2)c1 245822 UZMCSTKSVWZMJA-UHFFFAOYSA-N 255.295 1.169 0 50 CDAA in-vitro CCn1ncc(C)c1NC(=O)[C@H]1CCCCN1C(C)=O 1529181299 RAQIRBIUMJAPGX-GFCCVEGCSA-N 278.356 1.551 0 50 CDAA COC(=O)C(C)(C)c1csc(-c2ncc[nH]2)n1 304614282 ODBVNZHBOPVWBI-UHFFFAOYSA-N 251.311 1.984 0 50 CDAA CSCC[C@H](CO)NC(=O)c1c(C)noc1C 119274489 DNWFGURXWYBAOK-SECBINFHSA-N 258.343 1.135 0 50 CDAA CC1(C)[C@@H](C(F)(F)F)CCN1Cc1nc(O)n[nH]1 332673257 INVPQPBQAMGWBF-LURJTMIESA-N 264.251 1.673 0 50 CDAA CCc1nc(C)c(CN2CC[C@H](OC(=O)N(C)C)C2)o1 496862684 FIVORVJIPANGQK-NSHDSACASA-N 281.356 1.818 0 50 CDAA C[C@@H]1C(=O)N(CC(=O)[C@@H]2CCOC2)C(=O)c2ccccc21 1616042207 MUBJYNASWMOWTR-WDEREUQCSA-N 287.315 1.378 0 50 CDAA Cn1cncc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772811865 ZQRPGPOAAVXACJ-UHFFFAOYSA-N 293.330 1.559 0 50 CDAA COc1nc(N[C@@H](c2nccn2C)C2CC2)ncc1F 1772707702 XPWSWJRKSBJGBQ-SNVBAGLBSA-N 277.303 1.921 0 50 CDAA CN1CC[C@@H]2CN(c3nc(-c4ccccc4)no3)C[C@@H]2C1=O 1772816659 YUFGVQVFGYHDEB-OLZOCXBDSA-N 298.346 1.651 0 50 CDAA Cc1cccc(CN2CCC[C@](O)(CN(C)C)C2=O)c1 14981608 HDLPWILQYZLWQD-INIZCTEOSA-N 276.380 1.410 0 50 CDAA O=C(CSc1nncc(O)n1)NC1CCCCC1 15987688 RKMMLNLXYDOJRX-UHFFFAOYSA-N 268.342 1.118 0 50 CDAA Cc1cccc(CS(=O)(=O)N2CCN(C)CC2)c1 16577827 VXGSDVQJCDOTFA-UHFFFAOYSA-N 268.382 1.072 0 50 CDAA N=c1[nH]nc(N2CCC(Cn3cccn3)CC2)s1 1857680343 LCWKWTVHCJHJID-UHFFFAOYSA-N 264.358 1.064 0 50 CDAA Cc1ccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)n1C(F)F 1857737652 XICSXJFBSGWEPP-KOLCDFICSA-N 288.294 1.007 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3cccc4c3NCCC4)C[C@H]2N1 1857677159 YMKMAGMKJDKQEQ-WCQYABFASA-N 285.347 1.005 0 50 CDAA O=C(NCc1ccc2c(c1)CCO2)[C@H]1CCc2ncnn2C1 1857709399 VPXHXPRRVFJOLC-ZDUSSCGKSA-N 298.346 1.092 0 50 CDAA CCc1cc(C(=O)N=c2[nH][nH]cc2-c2ccccn2)no1 1875248386 NXHRSCFZJYJCJI-UHFFFAOYSA-N 283.291 1.696 0 50 CDAA O=C(c1ccco1)N1CCN(C(=O)c2ccco2)CC1 156403 UPBRPYUDDNJOLW-UHFFFAOYSA-N 274.276 1.471 0 50 CDAA in-vitro O=C(NN1CCOCC1)c1ccc(Br)cc1 436827 IIBGMOSOJUZJMT-UHFFFAOYSA-N 285.141 1.426 0 50 CDAA CCOc1cc(N2CCO[C@@H](COC)C2)nc(C)n1 408518707 VVFZQPLSLLZBGV-LLVKDONJSA-N 267.329 1.035 0 50 CDAA CC[C@@H]1C(=O)NCCN1C(=O)c1cc(OC)ccc1OC 110684813 NIUBSHYKRXNZBG-GFCCVEGCSA-N 292.335 1.054 0 50 CDAA CNc1ncccc1C(=O)N1C[C@H](C(=O)O)[C@@H](C2CC2)C1 248091991 YASPPIIETBSXHV-NEPJUHHUSA-N 289.335 1.306 0 50 CDAA CCn1nncc1CN[C@@H](C)c1ccc2c(c1)OCO2 571143087 YPIGOFYGMLNHCP-JTQLQIEISA-N 274.324 1.878 0 50 CDAA CC(C)NC(=O)[C@@H]1CC(=O)N(c2nccs2)C1 363581070 UWSISNSTCUFMLU-MRVPVSSYSA-N 253.327 1.021 0 50 CDAA c1cc([C@H]2CCCN(c3ncnc4[nH]cnc34)C2)ncn1 369027217 NNGRDFIOCURLKK-JTQLQIEISA-N 281.323 1.527 0 50 CDAA CCc1ccnc(C(=O)N2CCC[C@]2(COC)C(=O)O)c1 818311420 NIZPANZGRDFGRY-HNNXBMFYSA-N 292.335 1.350 0 50 CDAA O=C(Nc1cccc2c[nH]nc12)C(F)(F)[C@@H]1CCNC1 1875319156 QSXFHJUJJARZEQ-SECBINFHSA-N 280.278 1.746 0 50 CDAA O=C(O)C1CC2(C1)C[C@H](NC(=O)C1CC3(CC3)C1)CCO2 910618489 PNXNYYUVMDBXSP-BWBHSNQOSA-N 293.363 1.705 0 50 CDAA COc1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 20572444 QZZSVYRAVUDVMQ-VXGBXAGGSA-N 278.352 1.743 0 50 CDAA CO[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)O)C1)c1ccccc1 227873311 CSYOWDSJGOICMN-FRRDWIJNSA-N 277.320 1.744 0 50 CDAA C[C@@H](O)C[C@@H]1CCCCCN1CCN1CCNC1=O 124196715 NXQXHEMSZNPDOO-OLZOCXBDSA-N 269.389 1.027 0 50 CDAA C[C@@H]1OCCN(C(=O)c2cccc(C(=O)O)c2)[C@@H]1C 237384655 JDZDHOKQIHUMQG-ZJUUUORDSA-N 263.293 1.634 0 50 CDAA C[C@H](C(=O)O)N1CCCN(c2nccs2)CC1 237412762 SZEFSBAASYBHLS-SECBINFHSA-N 255.343 1.128 0 50 CDAA C[C@@H]1CCC[C@H](NC(=O)N2CCC(O)CC2)[C@@H]1C 253411663 XMUGCDFPVPOERC-WZRBSPASSA-N 254.374 1.977 0 50 CDAA NCCCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 37822439 YJNIPSFJTFWNCE-ZDUSSCGKSA-N 282.771 1.979 0 50 CDAA Nc1cccc(C(=O)NCCCOC2CCCC2)n1 269713287 VIPKAVCLMJCVSE-UHFFFAOYSA-N 263.341 1.743 0 50 CDAA CN(CCc1ccccc1)C[C@H](O)CN1CCCC1=O 304071184 VKYKNIWOOZXUMC-HNNXBMFYSA-N 276.380 1.144 0 50 CDAA CCc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)on1 426474260 LWAHXLZIQQNUHW-DTWKUNHWSA-N 266.297 1.354 0 50 CDAA C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1c(F)cccc1F 685939531 ZITVYONMJSYEKH-GZMMTYOYSA-N 290.335 1.193 0 50 CDAA O=C(c1cnc2ccccc2n1)N1C[C@H](O)C2(CC2)C1 372422440 QAZMDUTYAJQEHA-ZDUSSCGKSA-N 269.304 1.227 0 50 CDAA O=C(c1ccc2nc[nH]c2c1)N1CC[C@@H](C2OCCO2)C1 900463342 UDVRGWJNYXVAMU-LLVKDONJSA-N 287.319 1.398 0 50 CDAA O=S(=O)(Cc1ccccc1)NCCc1ccncc1 1421410 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LXQFTLZCVHTBCK-JBYGLJPXSA-N 291.303 1.358 0 50 CDAA CCO[C@H]1C[C@@](CO)(NC(=O)c2cc(C)sn2)C1(C)C 277953400 LTENBJBFGFOZPB-FZMZJTMJSA-N 298.408 1.747 0 50 CDAA O=C([C@@H]1C[C@H]1C1CCOCC1)N1CC(OC(F)F)C1 632669280 HINVGUZCMNKMAB-WDEREUQCSA-N 275.295 1.499 0 50 CDAA COc1cccc(C)c1N1C(=O)N[C@H](C2CC2)C1=O 408517016 OGGDRNGRARDDFK-LLVKDONJSA-N 260.293 1.838 0 50 CDAA CCO[C@@H]1C[C@H](NC[C@@](C)(O)c2cnn(C)c2)C12CCC2 221720231 JEGUHUCJEBTTOZ-RRFJBIMHSA-N 293.411 1.565 0 50 CDAA CN(C)[C@H]1CCN(c2ccc3nnc(C4CC4)n3n2)C1 109319600 HBSMRQBKMIMVSN-NSHDSACASA-N 272.356 1.142 0 50 CDAA CCC(CC)NC(=O)[C@H](C)N1CCC[C@@H](C(=O)O)C1 222640186 JJFPQZUJOBYGGG-WDEREUQCSA-N 270.373 1.476 0 50 CDAA CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)CCO1 224562114 QLDJLKIQALYJPJ-IJLUTSLNSA-N 269.341 1.515 0 50 CDAA Cc1cc(NC(=O)CS(=O)(=O)c2ccccc2)on1 171544457 QGUSILBFVODCEJ-UHFFFAOYSA-N 280.305 1.395 0 50 CDAA CCC[C@H](CN1CCN(C)[C@H](c2nc(C)no2)C1)OC 583651104 HJXTZOVBDRSZTO-OLZOCXBDSA-N 282.388 1.482 0 50 CDAA CNC(=O)[C@@H]1CCC[C@@H]1Nc1cncc(OCC(C)C)n1 677957482 KKOIIGRZVKUMGH-NEPJUHHUSA-N 292.383 1.838 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNC(=O)Cc2cccnc2)C1(C)C 191699012 NLPUFNDFJAOHRT-CZUORRHYSA-N 292.379 1.306 0 50 CDAA CCCN1CCCN(CCO[C@H]2CCCCO2)CC1=O 193129362 AUACDHMSYNOXHN-HNNXBMFYSA-N 284.400 1.474 0 50 CDAA CC(C)COC[C@H](O)Cn1nnc(-c2ccsc2)n1 193407236 DVHXNZWKJKUZFC-LLVKDONJSA-N 282.369 1.435 0 50 CDAA CNc1ncnc2c1cnn2C[C@H](O)CC(F)(F)F 193757500 WCIYNAKXSNKQNE-ZCFIWIBFSA-N 275.234 1.181 0 50 CDAA O=C(Cc1cccs1)N1CCOC[C@@]12CCOC2 194419963 BVKIZYYVWDZKOR-ZDUSSCGKSA-N 267.350 1.309 0 50 CDAA Cc1ncc(C(=O)NC[C@@H](CC2CC2)C(=O)O)c(C)n1 652098451 DTHBZSGOUWLHOD-LLVKDONJSA-N 277.324 1.324 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCCC2(CC2)C1 907454893 FKPHTOAURCPRPS-UHFFFAOYSA-N 250.342 1.424 0 50 CDAA COC[C@@H]1CCCN(S(=O)(=O)NC2(C)CCC2)C1 1506424589 BBIFUVJMHLJJDZ-LLVKDONJSA-N 276.402 1.122 0 50 CDAA CCCn1nc(C)c(NC(=O)c2cnccn2)c1C 1506419335 ZGFKHNQAFILLIQ-UHFFFAOYSA-N 259.313 1.952 0 50 CDAA COc1ccc2oc(CNC(=O)c3nccn3C)nc2c1 1506410958 YRUSMPLEKXSGQV-UHFFFAOYSA-N 286.291 1.500 0 50 CDAA Cc1cc(C)nc(CCNc2ccc(C(=O)N(C)C)cn2)n1 1529173515 XJYBNNLTHMDSTI-UHFFFAOYSA-N 299.378 1.845 0 50 CDAA COc1cccc(O[C@@H](C)C(=O)Nc2nccn2C)c1 1529134027 LNYZIYQZRWEMEM-JTQLQIEISA-N 275.308 1.835 0 50 CDAA CCCCCCOC(=O)[C@@H]1C[N@@]1[C@H](CC)C(=O)OC 1857666511 YATMUZOFWQFISU-XUJVJEKNSA-N 271.357 1.746 0 50 CDAA C[C@@H]1[C@@H](C)N(C(=O)Nc2cnns2)CCN1C 408366973 QOHKZUQMICDVSL-HTQZYQBOSA-N 255.347 1.094 0 50 CDAA O=C(c1ccc(F)cc1F)N(CCO)Cc1ncc[nH]1 1704314908 XXFCLGONKXJEDO-UHFFFAOYSA-N 281.262 1.323 0 50 CDAA Cn1ccnc1CN1C[C@@H]2CC[C@H](C1)CN2CC1CC1 222138331 XYHSTDKWUGGLJX-CABCVRRESA-N 274.412 1.726 0 50 CDAA C[C@@H]1CNCCN1C(=O)CC[C@@H](N)c1ccccc1 125137341 NWTYNZZNBMUWLZ-TZMCWYRMSA-N 261.369 1.287 0 50 CDAA CN(CCc1ccc(F)cc1)C(=O)[C@H]1CC[C@H](N)C1 237213603 VGRXXYFLSCMJRL-JSGCOSHPSA-N 264.344 1.954 0 50 CDAA N[C@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 132630104 RRBIPCCUJKVANR-AAEUAGOBSA-N 262.378 1.577 0 50 CDAA Cc1noc(=O)n1Cc1cc(O)cc(C(F)(F)F)c1 1875315856 KDOAMSVVATXXKJ-UHFFFAOYSA-N 274.198 1.917 0 50 CDAA Cc1ncsc1CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 682556431 JBNZVESHSFILGY-UMNHJUIQSA-N 265.382 1.537 0 50 CDAA N[C@@H]1C[C@H](NC(=O)c2cccc3c2COCC3)C12CCC2 1615554090 JTDCKIHDQQCLOE-CABCVRRESA-N 286.375 1.759 0 50 CDAA O=C1NCCN1CCn1cc(-c2ccc3c(c2)CCC3)nn1 1616042978 PUIRHGKSVYJDSV-UHFFFAOYSA-N 297.362 1.459 0 50 CDAA CN1C[C@H](CN2CCN(CC(F)(F)F)CC2)CCC1=O 1775980457 XZLSIXACUNSURP-LLVKDONJSA-N 293.333 1.035 0 50 CDAA Cc1ccccc1CS(=O)(=O)N1CCOCC1 16578796 OFIQDSMJIKRCFY-UHFFFAOYSA-N 255.339 1.157 0 50 CDAA C[C@H](Cn1cncn1)NC(=O)COc1ccc(F)cc1 19114110 ANZQFXWEZIPELE-SNVBAGLBSA-N 278.287 1.001 0 50 CDAA COC[C@@H](c1ccnn1C)n1ccnc1-c1cnsc1 1857683209 FXGGJCVVBDCJNA-LBPRGKRZSA-N 289.364 1.976 0 50 CDAA O=C(NCc1cnc2ccccn12)[C@@H]1CCn2nccc2C1 1857709818 SRUOPDBMJUCMBZ-GFCCVEGCSA-N 295.346 1.410 0 50 CDAA NC(=O)c1cccc(-c2ccc([C@@H]3CNC(=O)C3)cc2)n1 1875248872 UKPCKGKUKXGUSH-LBPRGKRZSA-N 281.315 1.451 0 50 CDAA CCn1nncc1C(=O)N[C@H]1c2ccc(F)cc2O[C@H]1C 575603213 PYSVOCVHALESNV-ISVAXAHUSA-N 290.298 1.689 0 50 CDAA Cc1cc(-n2cncn2)ccc1C(=O)N1C[C@@H](C)N[C@H](C)C1 154271392 CPCPJNIEIYUFIK-CHWSQXEVSA-N 299.378 1.398 0 50 CDAA CCCc1cc(C(=O)NCc2nc(CO)n[nH]2)sc1C 585128006 PDONJQGFDNFMGK-UHFFFAOYSA-N 294.380 1.549 0 50 CDAA COC(=O)c1cccc2c1CN(c1cnccn1)CC2 591989540 VRDFPEACSDATEO-UHFFFAOYSA-N 269.304 1.826 0 50 CDAA CO[C@H](CNC(=O)N[C@@H]1c2ccccc2C[C@H]1O)C(C)C 266761145 TTXQKJOGHCLWRB-RBSFLKMASA-N 292.379 1.615 0 50 CDAA C[C@H]1c2sccc2CCN1C(=O)Cc1nnc(N)s1 1646987314 KNOSODPOZWMNDQ-ZETCQYMHSA-N 294.405 1.870 0 50 CDAA Cc1nnc(N2CCN(C(=O)c3occc3C)CC2)s1 1650210207 QMLJBEROHXGUTF-UHFFFAOYSA-N 292.364 1.710 0 50 CDAA CC1(C)[C@H]2CC[C@@]13CS(=O)(=O)[N@@]1O[C@@]13C2(Cl)Cl 1857776280 HAMBQYFZDBYWHU-DBUUQLAUSA-N 298.191 1.883 0 50 CDAA COCc1nc(C)cc(N[C@@H]2CCC[C@@H]2C(=O)O)n1 900978997 WGNQTKVPAVOESP-VHSXEESVSA-N 265.313 1.597 0 50 CDAA CN(C)C[C@@H](CO)NC(=O)c1ccccc1-c1ccncc1 908201783 RHEVNNHIFUFFBB-AWEZNQCLSA-N 299.374 1.401 0 50 CDAA Cn1ncc(CNC(=O)OCC2CCCCC2)c1C(=O)O 926568601 ZZEFAFMCNANVCB-UHFFFAOYSA-N 295.339 1.925 0 50 CDAA C[C@H](N[C@@H]1CCOC[C@H]1O)c1cn2c(n1)CCCC2 926768520 LURPZADWRWJMHM-DMDPSCGWSA-N 265.357 1.020 0 50 CDAA CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1 65655 SNYKFSWOVGKZTL-LBPRGKRZSA-N 285.307 1.525 0 50 CDAA OCCNC1CCN(c2nc3ccccc3o2)CC1 270501841 GOMCNEPOBQSCHP-UHFFFAOYSA-N 261.325 1.379 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)NCCc2ccc(C(=O)O)cc2)O1 155475312 VXVGPUJGLYKCHS-MFKMUULPSA-N 277.320 1.611 0 50 CDAA NC1(C(=O)Nc2cccc(CCC(=O)O)c2)CCCC1 157909072 UGEFPIBBZFOJFY-UHFFFAOYSA-N 276.336 1.914 0 50 CDAA NC[C@H]1CCCN(S(=O)(=O)CC2CCCC2)C1 262028578 JKSXBZAWBLSXIF-GFCCVEGCSA-N 260.403 1.177 0 50 CDAA CNC[C@@H]1CCCN(C(=O)Cc2csc(C)n2)C1 170047988 LVVXZRUEQRYKAD-NSHDSACASA-N 267.398 1.452 0 50 CDAA Cc1nc(CN2CCN(CC(C)(C)O)CC2)c(C)o1 659874384 XQXKMSACAGOLLQ-UHFFFAOYSA-N 267.373 1.180 0 50 CDAA C[C@@H](C[C@H]1CCC(=O)N1)NCCNC(=O)OC(C)(C)C 309922743 WKSVPRHHQJPGSW-WDEREUQCSA-N 285.388 1.158 0 50 CDAA COc1cc(C)cc(OC)c1-c1cc(=N)[nH]c(=N)[nH]1 426414849 YIOKEQKEEITSDO-UHFFFAOYSA-N 260.297 1.294 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2cncc(O)c2)C1 584896085 SGXSDANIDNBUMY-NSHDSACASA-N 264.325 1.676 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@H]1CCNC(=O)CC1 585140131 PVZRVAXXOLLZBB-GFCCVEGCSA-N 296.392 1.196 0 50 CDAA O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 970257 IANASADILZBMMA-KWQFWETISA-N 285.752 1.490 0 50 CDAA C=CC(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 2325885916 MVLBCLBBVWPERM-UHFFFAOYSA-N 283.331 1.746 0 50 CDAA COC(=O)c1ccccc1NC(=O)NC[C@@H]1CCCO1 611099 PNFPKUOJHDGWKS-JTQLQIEISA-N 278.308 1.774 0 50 CDAA O=C(NCCNCc1ccco1)c1ccc(F)cc1 2852659 PGGBCEOPSNCCMH-UHFFFAOYSA-N 262.284 1.938 0 50 CDAA O=C(c1ncccc1O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356141222 YLYANNJFPPTSCG-MRXNPFEDSA-N 298.346 1.631 0 50 CDAA c1cn2c(-c3cc[nH]n3)cnc2c(N2CCCC2)n1 2356144206 NAPKGXDIAIKMNU-UHFFFAOYSA-N 254.297 1.720 0 50 CDAA C[C@H](CS(C)(=O)=O)N1CCCc2ccccc2C1 2356168228 VELBXDMURLVWJV-GFCCVEGCSA-N 267.394 1.868 0 50 CDAA O=C(O)c1cc(C(=O)O)n(Cc2ccccc2Cl)n1 4856082 DUFXLIZIBVXLGN-UHFFFAOYSA-N 280.667 1.981 0 50 CDAA in-vitro O=C(NC[C@H]1CCS(=O)(=O)C1)OC1CCCCC1 6293116 FVGDWYSFNDIDNO-SNVBAGLBSA-N 275.370 1.480 0 50 CDAA O=C(O)C[C@H](C(=O)NC1CCCCC1)[C@@H]1CCCO1 6492873 KRMTXYZCTHHDLR-RYUDHWBXSA-N 269.341 1.705 0 50 CDAA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccccn1 6698580 RAQKQVTUZDQJHY-OQSWDALSSA-N 288.347 1.835 0 50 CDAA Nc1nnnn1NCc1ccc(Cl)c(Cl)c1 7601199 QBHNQTCENWATCN-UHFFFAOYSA-N 259.100 1.306 0 50 CDAA CN(C(=O)c1cc(C2CC2)[nH]n1)C1CCC(O)CC1 225448379 IQHDXIPSFJRHQQ-UHFFFAOYSA-N 263.341 1.663 0 50 CDAA COCc1cccc(CNC(=O)[C@@H]2C[C@H](OC)CN2C)c1 344074024 YMIAGLFHCDBZRA-GJZGRUSLSA-N 292.379 1.168 0 50 CDAA CCCOc1ccccc1C1=NC(=O)C2=NN=NC2=N1 27646936 KFMVHONQQFRNNH-UHFFFAOYSA-N 269.264 1.983 0 50 CDAA in-vitro CC[C@H]1C=CCN1C(=O)c1cc(CN2CCOCC2)on1 67833731 ASIYSMSHTAWFTN-LBPRGKRZSA-N 291.351 1.297 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)cn2)CC1 20230840 NETKWTAEPIGRLQ-UHFFFAOYSA-N 291.351 1.951 0 50 CDAA Cc1n[nH]c(CCc2nc(-c3cn(C)cn3)no2)c1C 20540408 GCDAESLFAZTITI-UHFFFAOYSA-N 272.312 1.595 0 50 CDAA COc1ccccc1-n1nc(CC(C)C)nc1CO 65373269 PHGYKIRNXWJMNM-UHFFFAOYSA-N 261.325 1.967 0 50 CDAA CSc1cccc(CN[C@@H](C)CN(C)CCO)c1 1506411712 KGMBAWPLNRNGAH-LBPRGKRZSA-N 268.426 1.811 0 50 CDAA O=C(Cc1cncs1)NC[C@H]1NCCc2ccccc21 423663391 GCNISEORDRMJPQ-CQSZACIVSA-N 287.388 1.689 0 50 CDAA OCC[C@@H]1CCC[C@@H]1NC[C@@H](O)COCc1cccs1 252519093 AXKQRLCTBDAOBJ-GUTXKFCHSA-N 299.436 1.766 0 50 CDAA C[C@H](NS(C)(=O)=O)c1nc(C(C)(C)C2CCC2)no1 331471843 HBNFBYVVZDPHJM-QMMMGPOBSA-N 287.385 1.758 0 50 CDAA O=C(COc1cccnc1)N1CCO[C@H](C(F)(F)F)C1 71765629 ADUJGLBUSYBVFJ-JTQLQIEISA-N 290.241 1.250 0 50 CDAA Cc1nc(NC[C@H](C)n2ccnc2)c2c(C)nn(C)c2n1 72432975 QYMWZYKDALZVCD-VIFPVBQESA-N 285.355 1.850 0 50 CDAA Cc1cccc2[nH]c(CCC(=O)N3CCNC[C@H]3C)nc12 124848374 ZVMFIVJDXKGNLM-GFCCVEGCSA-N 286.379 1.624 0 50 CDAA CC(C)Oc1cncc(N2CCOC3(CCOCC3)C2)n1 127614614 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270.292 1.800 0 50 CDAA C[C@H]1C(=O)NCCN1Cc1ncc(-c2cccc(F)c2)o1 175162711 SKCHYFGWUHROMW-JTQLQIEISA-N 289.310 1.801 0 50 CDAA Cn1c(N2CCC(NCCO)CC2)nc2ccccc21 290928743 JNGLBOKKMXPQKK-UHFFFAOYSA-N 274.368 1.124 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1cc(O)ccc1Cl 290934828 PGCZNAQBZQIPJR-ONGXEEELSA-N 299.754 1.922 0 50 CDAA Cc1cnc(C(=O)N2CCC[C@@H](C(C)(C)O)C2)[nH]1 221268258 ZYLRTDXVGHXSHW-SNVBAGLBSA-N 251.330 1.341 0 50 CDAA CN1CCC(C)(C(=O)N2CCC[C@@H](c3ncon3)C2)CC1 426535665 RIHLVEUPGOJJPN-GFCCVEGCSA-N 292.383 1.508 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CSC(F)(F)F)n[nH]1 221316141 ZJRTWJQHTZMLBZ-SCSAIBSYSA-N 268.264 1.543 0 50 CDAA O=C([C@H]1CNCCO1)N1CCC[C@@H]1Cc1cccc(F)c1 178432225 PBRHLMGNCQBTSJ-HUUCEWRRSA-N 292.354 1.348 0 50 CDAA CC(C)[C@H](N)C(=O)Nc1cnn(Cc2ccncc2)c1 178749805 LXGADKACFLVZRM-ZDUSSCGKSA-N 273.340 1.248 0 50 CDAA CCOc1cc(C(=O)NCCc2c(C)n[nH]c2C)on1 616024564 JFQHCVHBQPSWOH-UHFFFAOYSA-N 278.312 1.386 0 50 CDAA COC[C@@H](C)C1CCN(c2nc(N)ncc2C)CC1 91770569 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ZCXMNLFPFNATLG-CYBMUJFWSA-N 276.384 1.333 0 50 CDAA Cc1nnc([C@H](C)NC(=O)c2ccc3c(c2)ncn3C)[nH]1 286545763 ZRGBTIXVXIBFBT-QMMMGPOBSA-N 284.323 1.491 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(CN)c2)[nH]n1 299760557 HPXBREMWLHOSPU-SNVBAGLBSA-N 287.367 1.930 0 50 CDAA C[C@@H]1CCCCN1C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 298536385 JKWINOGQAWZRCG-JHJVBQTASA-N 290.363 1.339 0 50 CDAA CC(C)(C)c1cc(CNC(=O)C[C@@H]2CCNC2)[nH]n1 299777730 OREXABYAPYSNJD-JTQLQIEISA-N 264.373 1.323 0 50 CDAA CCCCn1nc(CC(N)=O)nc1[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 822888925 ZAARWCBJSYXGLX-RJTWHSRJSA-N 288.395 1.866 0 50 CDAA CC[C@@H](C(=O)NC(C)(C)CCC(=O)NC)n1cccc1 584899116 XDTWPVWPZFLCSI-LBPRGKRZSA-N 279.384 1.860 0 50 CDAA Cc1ccccc1[C@@H](C(=O)NCc1nonc1C)N(C)C 823652608 KKBABYLFRKZTEQ-AWEZNQCLSA-N 288.351 1.606 0 50 CDAA Cc1nonc1CNC(=O)[C@H](C)N1CCCCCC1 584896608 CWCVSNMHUQLTAZ-NSHDSACASA-N 266.345 1.259 0 50 CDAA COC(=O)Cn1ncc2ccc(Br)cc2c1=O 585671392 BMFYNLVTRWXHNM-UHFFFAOYSA-N 297.108 1.332 0 50 CDAA CC(C)c1noc(CN(C)C(=O)c2cc(=O)c(O)co2)n1 584894587 IRBZESWBIGPDMW-UHFFFAOYSA-N 293.279 1.124 0 50 CDAA CC[C@H](O)Cn1nc(CC(C)C)nc1-c1cnccn1 670461594 VNVJOEIFZRKSNX-NSHDSACASA-N 275.356 1.705 0 50 CDAA CCCS(=O)(=O)N(C)Cc1cc(-c2ccccn2)no1 670451747 ZJKJXAGSBZAUTE-UHFFFAOYSA-N 295.364 1.908 0 50 CDAA Cc1cccc2nc(C(=O)N3CCC(N(C)C)CC3)cn12 685945167 FQXNGWZXHCBSRG-UHFFFAOYSA-N 286.379 1.809 0 50 CDAA C=CC(=O)NCCC(=O)N1CCc2cc(O)cc(F)c2C1 1875297758 CLBSPYQIAMHLNF-UHFFFAOYSA-N 292.310 1.108 0 50 CDAA CN(C)c1ncc(-c2ccc(=O)n(CCO)c2)cc1Cl 1875283192 JDHOLNUKTPNZBT-UHFFFAOYSA-N 293.754 1.622 0 50 CDAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1Nc1ncccc1F 1875399194 RKDMKSSGSJXFFI-CYZMBNFOSA-N 276.315 1.669 0 50 CDAA C=CC(=O)NCCc1ccc(N2CCOCC2)c(F)c1 1875367355 KTLPNQUHNRXYMN-UHFFFAOYSA-N 278.327 1.507 0 50 CDAA CC1(C(=O)NCC2CCN(CCC(=O)O)CC2)CC1 952968822 INHWCIHFPMVMNN-UHFFFAOYSA-N 268.357 1.089 0 50 CDAA CN(C)[C@H](CNC(=O)CN1CCCCCC1)c1ccco1 952973335 SCRXHEVLYNQZPG-CQSZACIVSA-N 293.411 1.875 0 50 CDAA COc1cc(CC(=O)N2CCCOCC23CC3)ccc1O 886091348 KJZABCDNFWQHKR-UHFFFAOYSA-N 291.347 1.725 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)OCC12CCC2 1772716531 BFPZFWCCXIOPSM-SECBINFHSA-N 271.313 1.630 0 50 CDAA COCCOCc1cc(O)nc(COc2ccccc2)n1 1776004017 KMTVOFWFKIUHJA-UHFFFAOYSA-N 290.319 1.924 0 50 CDAA CS(=O)(=O)c1ccc(Br)cc1F 38537360 ISSNNKYYINPTHS-UHFFFAOYSA-N 253.092 1.992 0 50 CDAA in-vitro O=C1C[C@@H](NCCCNc2ccccc2)CCCN1 630059702 DZQMCALJCIOGSC-AWEZNQCLSA-N 261.369 1.747 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CO[C@@H](C(=O)O)C2)C1 91303347 XWLXLEQWTDDMRL-YGRLFVJLSA-N 285.340 1.877 0 50 CDAA in-vitro CNc1cc(N2CCC[C@H]2CNc2cncc(C)n2)ncn1 302115031 RFIZXFVYCDWHMY-LBPRGKRZSA-N 299.382 1.698 0 50 CDAA CC1CCC(O)(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 407962482 MVWBYYBZVXVFCB-CUQMJCILSA-N 297.439 1.789 0 50 CDAA Cc1ccc(NS(=O)(=O)N2CC[C@@H](C)C2)c2[nH]ncc12 408138739 NEKKUBNDOLFEQV-SECBINFHSA-N 294.380 1.870 0 50 CDAA CC[C@]1(C)COCCN1C(=O)c1snnc1C 408362067 LJRZZXBNFLHWLW-LLVKDONJSA-N 255.343 1.488 0 50 CDAA CC[C@@H](NC(=O)[C@@H]1CSCCS1)c1noc(C)n1 170013683 KLINQNRDZCFKAW-BDAKNGLRSA-N 287.410 1.794 0 50 CDAA CO[C@H]1C[C@H](NC(=O)c2ccc(C(=O)O)cn2)C12CCC2 634807129 ZAQLWLGEDONPNF-RYUDHWBXSA-N 290.319 1.467 0 50 CDAA Cc1cc(C(=O)NCC(C)(C)n2ccnc2)ns1 585131120 MFLZVCQEUDRFJK-UHFFFAOYSA-N 264.354 1.813 0 50 CDAA COC(OC)[C@H](C)NC(=O)Nc1ccc(F)cn1 585140270 BBHLLJPDZZBLQZ-ZETCQYMHSA-N 257.265 1.350 0 50 CDAA Cc1cc(N2CCC(F)(F)CC2)n2ncnc2n1 585380408 OEJTWWIFHQNSLJ-UHFFFAOYSA-N 253.256 1.668 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1cc[nH]n1 679549175 MMJBWJRAANUDLT-DLOVCJGASA-N 292.339 1.337 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)N1CCOC[C@@H](O)C1 77472432 DOPHBXWPJFTDGW-LBPRGKRZSA-N 299.754 1.247 0 50 CDAA CC(C)Oc1ccc(NC(=O)c2ccccn2)nn1 191304247 RHJBECRBVZASAH-UHFFFAOYSA-N 258.281 1.911 0 50 CDAA CC(C)(C)n1cc(CNc2nc3ccccn3n2)nn1 195011991 KQLUHAGCXKJINL-UHFFFAOYSA-N 271.328 1.688 0 50 CDAA CN1CC2(CCN([C@@H]3CCC(C)(C)C3)CC2)OCC1=O 1857674490 KSXLHZCGLDGKKJ-CYBMUJFWSA-N 280.412 1.888 0 50 CDAA COc1ccc2c(c1)CCN(C[C@@H]1CCC(=O)N(C)C1)C2 1800410588 WLJWAEZWFNUFKV-CYBMUJFWSA-N 288.391 1.922 0 50 CDAA CCc1nnc(NC(=O)[C@H]2CC23CCNCC3)s1 231327055 JTGFVOXINKNPGQ-MRVPVSSYSA-N 266.370 1.429 0 50 CDAA COCCN(C(=O)c1cnccc1C)[C@@H]1CCOC1 330961933 BWJCKMDKXBIMJS-GFCCVEGCSA-N 264.325 1.268 0 50 CDAA Cc1ccc(CC(=O)N2CCC(C(=O)O)CC2)s1 237667462 OYDAAMWNQUKDAO-UHFFFAOYSA-N 267.350 1.922 0 50 CDAA NCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 237946482 FEGZQIVOYNKABJ-LLVKDONJSA-N 252.745 1.832 0 50 CDAA C[C@@H]1CCC(C)(C)N1C(=O)c1ccc2nnnn2c1 577717500 BHZPMWKUFUQPCT-SECBINFHSA-N 259.313 1.527 0 50 CDAA O=C(O)[C@@H]1COCCN(C/C=C/c2ccc(F)cc2)C1 1772813950 CHBRGTBXKPWRGS-AORQRIRUSA-N 279.311 1.872 0 50 CDAA CCN(CC)CCC[C@H](C)N1C[C@@H]2[C@@H](C1)C2(CO)CO 1772811558 VTVKLPBRNBKKNL-RRFJBIMHSA-N 284.444 1.030 0 50 CDAA COC[C@H](O)c1ccc(OC[C@H](O)CNC(C)C)cc1 5760531 OFRYBPCSEMMZHR-HIFRSBDPSA-N 283.368 1.104 0 50 CDAA world Cc1ccc(C(=O)NCCN2CCOCC2)s1 13744419 XFQVWJQWPGGFEE-UHFFFAOYSA-N 254.355 1.119 0 50 CDAA CC(C)(C)CN1CCC[C@@](O)(CN2CCCOCC2)C1=O 14981402 KHGFQFCKUVGJJM-MRXNPFEDSA-N 298.427 1.108 0 50 CDAA NC(=O)COc1ccc(/C=C2/SC(=S)N=C2O)cc1 2536795 ZKWSMSDQCHYGBL-WEVVVXLNSA-N 294.357 1.880 0 50 CDAA Oc1nc(=NC[C@H]2CCCC2(F)F)nc2[nH][nH]cc1-2 333755305 YLHWEHJMLHHQRO-ZCFIWIBFSA-N 269.255 1.279 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1cnc(N(C)C)nc1 408474686 JXSSWQCUSOEVHY-NWDGAFQWSA-N 278.356 1.686 0 50 CDAA COCc1ccc(C(=O)N2CC[C@H](C)[S@](=O)CC2)cc1 225447394 BEOVZBJIDCMTIQ-FKIZINRSSA-N 295.404 1.816 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 2583297 ZPMJBHUNSHDFPT-RGOKHQFPSA-N 253.298 1.786 0 50 CDAA in-vitro CC(=O)N[C@@H](Cc1c[nH]c2ccc(C)cc12)C(=O)O 4763510 GTCLKZDZUKYDDV-ZDUSSCGKSA-N 260.293 1.608 0 50 CDAA in-vitro C[C@@]1(C(=O)O)CCN(C(=O)Cn2ncc3ccccc32)C1 237647542 GASKDLMUKPFBPW-OAHLLOKOSA-N 287.319 1.360 0 50 CDAA Cc1cc(CO)oc1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 367122018 VWAHZKVDHIGXCB-LLVKDONJSA-N 289.335 1.823 0 50 CDAA Cc1ccc(CC(=O)N2CCC3(CC2)C[C@H]3C(=O)O)cn1 262387519 QIGTUYAWUDVGGM-ZDUSSCGKSA-N 288.347 1.646 0 50 CDAA Cc1nc(C(=O)N[C@H]2CC[C@@H](C(F)(F)F)N(C)C2)no1 583616783 RODZNNPNJJSQSK-YUMQZZPRSA-N 292.261 1.133 0 50 CDAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@H]1CCOC1 263353106 QNIBKDBWLZRWJU-LBPRGKRZSA-N 293.319 1.089 0 50 CDAA COCCN1CC[C@H](NC(=O)N(C)Cc2cscn2)C1 265502438 DIKGDYNCNQQDHX-NSHDSACASA-N 298.412 1.005 0 50 CDAA CN(C)C(=O)c1c[nH]nc1NCc1ccc2c(n1)CCC2 902658793 CQBOBLQLMNXNLX-UHFFFAOYSA-N 285.351 1.607 0 50 CDAA OC[C@@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@@H]1O 1205571275 YHIGVBMIHLXLSA-ZFWWWQNUSA-N 260.337 1.343 0 50 CDAA Cc1nc(CC(=O)N2CCC[C@H]2C(F)(F)F)n[nH]1 913018288 JBEUHKSXQCOIJL-ZETCQYMHSA-N 262.235 1.209 0 50 CDAA COCc1nccc(NCCOC[C@@H]2CCCO2)n1 929085078 UIDNJRODCAZTNC-NSHDSACASA-N 267.329 1.231 0 50 CDAA Cc1ccc(CN(CCO)C(=O)c2cc3cccn3cn2)o1 935768893 XFXXGXXLSSGZBP-UHFFFAOYSA-N 299.330 1.870 0 50 CDAA O=C(Cc1ccc(F)cc1)N1CC[C@H]2CCNC[C@H]2C1 1875273995 SWNYBMDHDHPDPF-KGLIPLIRSA-N 276.355 1.826 0 50 CDAA C[C@H]1CNCCN1C(=O)[C@H]1CCOc2ccccc21 111189002 DGIVSORBBMSFHR-AAEUAGOBSA-N 260.337 1.373 0 50 CDAA CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[C@H](C(=O)O)C1 111473470 HHIJGVWAUSYIDM-AVGNSLFASA-N 283.368 1.905 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(N)=O 6729169 SYEGYNJWRNOEQK-UHFFFAOYSA-N 296.392 1.659 0 50 CDAA OCCN1CCN(CCOc2ccc(Cl)cc2)CC1 32498059 GNOJXFPWCNLOKG-UHFFFAOYSA-N 284.787 1.329 0 50 CDAA CN(Cc1nccn1C)C(=O)[C@H](N)CC1CCCCC1 261689178 HMXZQTBFDPHWMX-CYBMUJFWSA-N 278.400 1.676 0 50 CDAA O=C(NCc1ccsc1)c1ccn([C@@H]2CCCNC2)n1 275680281 QDKSAFUQUWFIOG-GFCCVEGCSA-N 290.392 1.799 0 50 CDAA c1csc([C@@H]2CCCCN2CCN2CCNCC2)n1 420314201 JSOYFKFLBCOWCE-ZDUSSCGKSA-N 280.441 1.575 0 50 CDAA O=C(N[C@]1(CO)CCOC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 332791105 XEZOMOOYTIIFKR-CTASWTNQSA-N 281.396 1.861 0 50 CDAA O=C1CC[C@H](C(=O)N2C[C@@H]3CCCC[C@H]3C2)CN1 336795296 JILYVIDHIKIZTH-SRVKXCTJSA-N 250.342 1.161 0 50 CDAA O=C(CN1CCC(c2ccccn2)CC1)NCC1CC1 363445800 BSSMHTZPDHEJRT-UHFFFAOYSA-N 273.380 1.787 0 50 CDAA CC(=O)Nc1ccc(OC[C@@H](O)CNC2CCCC2)cc1 4320503 JBQPSRMRWULQNY-HNNXBMFYSA-N 292.379 1.917 0 50 CDAA Cn1c(-c2n[nH]c(C3CC3)n2)nnc1N1CCCCC1 2325768087 DWBLYFWVIJBLGC-UHFFFAOYSA-N 273.344 1.468 0 50 CDAA O=C1CCC[C@H](C(=O)O[C@H]2CCC3(COC3)C2)C1 2325799624 LXNIPUTVSXAVSM-JQWIXIFHSA-N 252.310 1.858 0 50 CDAA Cc1[nH]c2ccccc2c1CCC(=O)N[C@H](CO)[C@@H](C)O 2325807743 QDCPVUHNMBQENY-IAQYHMDHSA-N 290.363 1.267 0 50 CDAA NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 155292 NECFGXHWUOZZSE-UHFFFAOYSA-N 287.296 1.163 0 50 CDAA Cn1cnnc1SCCC(=O)Nc1ccccc1 173520 LMIBYCRWLPEXMW-UHFFFAOYSA-N 262.338 1.936 0 50 CDAA CC(=O)NC(NC(C)=O)C(C)(C)Cc1ccccc1 289301 JIMXNTOLJIKCFW-UHFFFAOYSA-N 262.353 1.854 0 50 CDAA COC(=O)CNc1nc(Cl)nc(NC2CCCCC2)n1 439566 JHADLIRNILXDSJ-UHFFFAOYSA-N 299.762 1.855 0 50 CDAA NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2390906 ZYGRWJVRLNJIMR-NSHDSACASA-N 266.297 1.105 0 50 CDAA C[C@H](NC(=O)c1c(Cl)cnn1C)[C@H]1CCCO1 2778615 BHSJAKOKBWUYFJ-IONNQARKSA-N 257.721 1.371 0 50 CDAA CCOc1ccccc1NC(=O)C(=O)NCc1ccco1 2961905 VWKAQFJRZWGAOQ-UHFFFAOYSA-N 288.303 1.933 0 50 CDAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N2CCC[C@@H]32)on1 2356153293 AMVZQAATNCXCTK-IUCAKERBSA-N 273.296 1.480 0 50 CDAA c1ccc([C@H]2CN(Cc3cccc4ncnn34)CCN2)cc1 2356169280 OJBSTFBOLWRBKM-MRXNPFEDSA-N 293.374 1.876 0 50 CDAA NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12 6415144 OGKYMFFYOWUTKV-UHFFFAOYSA-N 285.756 1.125 0 50 CDAA in-vivo CCCCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 6649276 OJTYTHQICVUFJN-UHFFFAOYSA-N 284.381 1.612 0 50 CDAA COC(=O)c1ccc(N2CCN(C)CC2)c(NC(C)=O)c1 6700849 QQDWXRDMFSARMK-UHFFFAOYSA-N 291.351 1.183 0 50 CDAA Cc1ccccc1OCCCNCCN1CCOCC1 20482294 JAZBRPXWTFLCJU-UHFFFAOYSA-N 278.396 1.686 0 50 CDAA Cc1nc2ncc3c(=O)n(Cc4ccccc4)ccc3n2n1 9290524 LNSBXLSSDFIWHN-UHFFFAOYSA-N 291.314 1.796 0 50 CDAA CCN(Cc1nc(COC)no1)C(=O)c1ccncc1F 55072205 UWOMEIAMPWROTQ-UHFFFAOYSA-N 294.286 1.412 0 50 CDAA CO[C@@H]1C[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O1 106383935 FHXCXDUEKHFWGP-NDKCEZKHSA-N 266.293 1.223 0 50 CDAA Cc1nn(C)cc1-c1ccnc(N2CCN(C)[C@@H](C)C2)n1 105902466 VJOFGMBWCZPBCK-NSHDSACASA-N 286.383 1.326 0 50 CDAA CCc1nnc(CN(C)C(=O)c2cn3c(C)cccc3n2)o1 20236202 IUEKQOGAMYBHSX-UHFFFAOYSA-N 299.334 1.860 0 50 CDAA CCC[C@H](NCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)O 249322299 RMIQOFXHSVQDHQ-LOWDOPEQSA-N 284.400 1.770 0 50 CDAA C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCCO1 170766505 OEFRYVSUVPVKOU-SNVBAGLBSA-N 283.759 1.784 0 50 CDAA COc1ccccc1OC/C=C/CN1CCN(C)CC1 23116724 MNZPIQWITXJZLE-AATRIKPKSA-N 276.380 1.878 0 50 CDAA CCn1ncnc1CN1C[C@H](CO)Oc2ccccc21 365345472 SIERKWHLDFLZPQ-LLVKDONJSA-N 274.324 1.058 0 50 CDAA CCCNC(=O)[C@H]1CCCN(C(=O)C[C@H]2CCOC2)C1 330875446 ZRTIIEOIZHIJEO-OLZOCXBDSA-N 282.384 1.178 0 50 CDAA C[C@H](CN[C@H]1CC(C)(C)OC1(C)C)CS(C)(=O)=O 119688900 LAXFCYYZKNBCRH-MNOVXSKESA-N 277.430 1.603 0 50 CDAA CCc1cc(C(=O)NC[C@@H]2CCNCC2(F)F)cc(O)n1 424196005 UNRAFNAJZUUVFD-JTQLQIEISA-N 299.321 1.324 0 50 CDAA CC(=O)N[C@@H](C)C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67688319 SCHAAFIKSOBQCF-VIFPVBQESA-N 290.367 1.141 0 50 CDAA C[C@@H](Cn1cccn1)n1cnc2c(F)cccc2c1=O 32558377 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1.144 0 50 CDAA Cc1ccc2c(C)cc(=NCCc3nc(=N)[nH][nH]3)[nH]c2c1C 584902257 AINQRPSJVNMZOI-UHFFFAOYSA-N 296.378 1.767 0 50 CDAA Cc1c(CNC(=O)[C@H](C)n2ccnc2C(C)C)cnn1C 584889540 RVRVIZLKMPFAPX-LBPRGKRZSA-N 289.383 1.926 0 50 CDAA Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1CCCO1 163916804 ISLRMCUNLNGCCZ-CHWSQXEVSA-N 264.325 1.104 0 50 CDAA CC(C)C[C@H](O)C(=O)N(C)Cc1cccc(O)c1 584903314 VGOHJMJSSISAJD-ZDUSSCGKSA-N 251.326 1.758 0 50 CDAA CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1OC 268930972 YEMVMLWONJCITH-GHMZBOCLSA-N 293.319 1.431 0 50 CDAA C[C@H](CN1CCN(C)CC1)N1CC(Oc2ccccc2)C1 670448376 RAPFKKYXEZUKLD-OAHLLOKOSA-N 289.423 1.386 0 50 CDAA CCOC(=O)N1CCC(NCCn2cnc(C)c2C)CC1 670439403 IYXPAJWPJRRXHT-UHFFFAOYSA-N 294.399 1.710 0 50 CDAA COCCN(C(=O)c1cc(C)c(C(=O)O)o1)[C@@H]1CCOC1 630297653 IYALEGOMDHHSSB-SNVBAGLBSA-N 297.307 1.164 0 50 CDAA CCn1cnnc1NCc1ccc(C(=O)OC)cc1 871001804 GYKYMGSCKGFFEZ-UHFFFAOYSA-N 260.297 1.697 0 50 CDAA COC[C@@]1(C)CN(Cc2cc3c(O)nccc3o2)CCO1 877662793 YGUQCOPAELYWTI-OAHLLOKOSA-N 292.335 1.771 0 50 CDAA O=C(Nc1nccs1)N1CCc2cncnc2CC1 1875264601 AEQFIFJIUODWHQ-UHFFFAOYSA-N 275.337 1.566 0 50 CDAA CC(C)c1ccccc1CNC(=O)Cn1cccnc1=O 1875264571 ICWUOIOAKUFWGF-UHFFFAOYSA-N 285.347 1.683 0 50 CDAA O=C(C[C@H](O)COCc1ccccc1)NC1CC(F)C1 1875274818 GVXVNVFJADGWMJ-RUXDESIVSA-N 281.327 1.571 0 50 CDAA Cc1cc(-n2c(C)cc(C(=O)NS(C)(=O)=O)c2C)no1 1875391016 CJLXXPPXWCFBPQ-UHFFFAOYSA-N 297.336 1.080 0 50 CDAA CS(=O)(=O)c1ccccc1OC[C@@H]1C[N@]1C1CCC1 1875380979 GJCNHSHNEFAEOW-SWLSCSKDSA-N 281.377 1.706 0 50 CDAA COCCN(Cc1cc(C(C)(C)C)on1)Cc1nn[nH]n1 1875331248 WJUGFLDCFHNMLQ-UHFFFAOYSA-N 294.359 1.134 0 50 CDAA Cc1nnc(C[C@@H]2CC[C@H](Nc3nnc(C)o3)C2)o1 952891256 YWWZWLHCMSDEGL-ZJUUUORDSA-N 263.301 1.893 0 50 CDAA C[C@@H]1COCC[C@@H]1C(=O)N1CCc2cc(O)ccc2C1 1775238598 WAJBKYFWPTWKTM-ABAIWWIYSA-N 275.348 1.950 0 50 CDAA N[C@H]1CN(C(=O)c2ocnc2C(F)(F)F)CC12CCC2 1775962380 ISNMHGOWBWEHDJ-ZETCQYMHSA-N 289.257 1.647 0 50 CDAA CCn1cnc([C@H]2NC(=O)c3ccccc3N2C)c1 899365599 BOVTXVWTALLJRY-ZDUSSCGKSA-N 256.309 1.781 0 50 CDAA Cc1cnc(S(=O)(=O)Cc2cnn(CCF)c2)c(C)c1 899503602 VBCZQXIJTGQMPG-UHFFFAOYSA-N 297.355 1.838 0 50 CDAA CN(C)[C@H]1CCC[C@@H]1NC(=O)c1ccncc1Cl 1565526875 ZIWMUZCGJDPMSJ-RYUDHWBXSA-N 267.760 1.948 0 50 CDAA CCN1CCC(CNC(=O)NCc2cnccn2)CC1 1468474949 CJRDCYKIGPZAAF-UHFFFAOYSA-N 277.372 1.008 0 50 CDAA C[C@@H](NC(=O)c1cccc(CO)c1)c1nn(C)cc1O 1364404495 XLEFRLDMSCKBOM-SECBINFHSA-N 275.308 1.109 0 50 CDAA C[C@H]1CN(CCCNC(=O)c2cccc(O)n2)C[C@@H](C)O1 278632853 NHDAFKSFAMYBNQ-TXEJJXNPSA-N 293.367 1.016 0 50 CDAA C[C@@H](C(=O)OC[C@H]1CCCO1)N(C)CC(F)(F)F 170619246 PVDDSWTYHRUEIQ-DTWKUNHWSA-N 269.263 1.591 0 50 CDAA Cc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1 552209842 ZUAAQOVFHPVSGM-INIZCTEOSA-N 274.364 1.182 0 50 CDAA CC[C@H](C(=O)O)N1CCN(C[C@@H](O)c2ccccc2)CC1 191432078 DVISROCDCBJAIA-HUUCEWRRSA-N 292.379 1.201 0 50 CDAA CCO[C@@H]1C[C@@H](NCc2cncnc2OC)C12CCC2 647186366 KQGBJVMNQKTARV-CHWSQXEVSA-N 277.368 1.923 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2ccc(O)cc2)[C@H]2CCO[C@H]21 1074516534 MASBWXCJCXXOKC-ZOBORPQBSA-N 277.320 1.172 0 50 CDAA Nc1cc(CN2CCCC[C@H]2CN2CCOCC2)ccn1 193363765 BSYXTAWDJCFKFX-HNNXBMFYSA-N 290.411 1.351 0 50 CDAA C[C@@H](CNC(=O)c1ccc(C(=O)O)cn1)Cn1ccnc1 649459703 VUBYBDOAKYLGIJ-JTQLQIEISA-N 288.307 1.042 0 50 CDAA CN(C)c1noc(CNC(=O)c2ccc(Cl)cn2)n1 193898750 WBRXKBHENOLDTQ-UHFFFAOYSA-N 281.703 1.114 0 50 CDAA Cc1c([C@@H]2CNC[C@H]2c2nc(-c3ccco3)no2)cnn1C 656563704 WGMMJIKTEDTXME-NWDGAFQWSA-N 299.334 1.842 0 50 CDAA CCn1nncc1CN[C@H](C)c1ccc2c(c1)OCO2 571143088 YPIGOFYGMLNHCP-SNVBAGLBSA-N 274.324 1.878 0 50 CDAA CC(C)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 662334946 FALCFTUMINEMJN-CYBMUJFWSA-N 277.416 1.407 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1F 574565787 CMYLHKJZRUPMLX-KYZUINATSA-N 287.312 1.276 0 50 CDAA COc1ccc(-c2cnn(CC(C)(C)O)c2)c(CO)c1 665209907 QKQSPPCCHLRCGT-UHFFFAOYSA-N 276.336 1.822 0 50 CDAA O=C(NS(=O)(=O)c1cccc2ncccc12)C1CC1 729201587 XIHCPFKWEQVFCI-UHFFFAOYSA-N 276.317 1.450 0 50 CDAA CCCCCOCC(=O)NCc1nc(C)c(C)[nH]1 585126329 WPZNSCQNRISRHY-UHFFFAOYSA-N 253.346 1.850 0 50 CDAA Cc1ccc(-c2noc([C@H]3CN(C)C(=O)N3)n2)cc1 585133344 FYACIASEHWJIQR-SNVBAGLBSA-N 258.281 1.741 0 50 CDAA O=C(N[C@H]1CC[C@@H](CO)CC1)[C@@H]1CCN1C1CCCC1 585132447 WXOMAVJXOMEHDS-GUTXKFCHSA-N 280.412 1.671 0 50 CDAA O=C(O)C[C@H]1CCCN(C(=O)c2ncncc2Cl)CC1 585655574 COORNCLZLZFERD-VIFPVBQESA-N 297.742 1.847 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)c1cc(O)ccc1N 1506402768 PBCQZNROAUEMGZ-UHFFFAOYSA-N 291.395 1.921 0 50 CDAA CCN(C[C@@H]1CCCCO1)C(=O)c1[nH]nnc1C 1506419628 UATROBUWBPWZPA-JTQLQIEISA-N 252.318 1.144 0 50 CDAA O=C(NCCc1cn2ccsc2n1)c1ccns1 1857686931 JOWBAOVAFOVBQH-UHFFFAOYSA-N 278.362 1.825 0 50 CDAA CCN(C)c1cc(N[C@H](C)c2ncnn2CC)ncn1 1704311532 APCQONJOGGQXHT-SNVBAGLBSA-N 275.360 1.717 0 50 CDAA CC(=O)c1ccc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)nc1 1704302302 HRMPKKXOYLXQQF-UKRRQHHQSA-N 298.346 1.114 0 50 CDAA O=C(NCCCO)C(=O)Nc1cccc(C(F)(F)F)c1 2284215 GXJODCINZUKMBV-UHFFFAOYSA-N 290.241 1.143 0 50 CDAA Cn1nncc1CN1C[C@H](C(F)(F)F)OC(C)(C)C1 428932870 KJHCKKVWVWSYSY-SECBINFHSA-N 278.278 1.357 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)[C@H]1CSCN1 236636083 RPSLWYAPEUOTSM-MXWKQRLJSA-N 272.414 1.359 0 50 CDAA O=C(c1cc(F)cc(Cl)c1)N1C[C@H](O)[C@@H](F)C1 1615700252 DCHCTIUTCDOVPQ-UWVGGRQHSA-N 261.655 1.634 0 50 CDAA Cc1cccc(C2(NC(=O)N[C@H]3CCNC[C@@H]3O)CC2)c1 1616094061 LPMYKWNYDWRXBG-KBPBESRZSA-N 289.379 1.006 0 50 CDAA C[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2Cl)C1 158545123 YXDCUGDYVDXCDE-SKDRFNHKSA-N 268.744 1.587 0 50 CDAA Cc1nnc(CCNC(=O)c2cccc(O)c2C)s1 215263975 GKYHNTSEGYIPDH-UHFFFAOYSA-N 277.349 1.833 0 50 CDAA CN1CCC(CN(C)C[C@@H]2CCC(=O)N(C)C2)CC1 1772814622 KKBDFHFEGXSWFG-AWEZNQCLSA-N 267.417 1.128 0 50 CDAA COc1cc(F)c(CN2C[C@@H]3[C@@H](C2)C3(CO)CO)c(F)c1 1772817985 KUTIWVYRLJMIGT-VXGBXAGGSA-N 299.317 1.006 0 50 CDAA O=c1onc(-c2cccs2)n1CCC1OCCO1 163663115 YRGLBMQCDXHEPC-UHFFFAOYSA-N 268.294 1.328 0 50 CDAA CCONC(=O)c1cccc(I)c1 5171922 LCNMBXHEUDZBFJ-UHFFFAOYSA-N 291.088 1.973 0 50 CDAA CCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 5672121 GVLBZFIXWDGANO-GFCCVEGCSA-N 298.408 1.530 0 50 CDAA O=C(O)CNC(=O)COc1ccc(OC(F)(F)F)cc1 5715438 VLYRPTHJEVUWCM-UHFFFAOYSA-N 293.197 1.165 0 50 CDAA COC(=O)c1ccc(NC(=S)NC2CC2)cc1 13556412 VUMYQCGWELISII-UHFFFAOYSA-N 250.323 1.922 0 50 CDAA CCc1ccc(OCC(=O)N2CCN(CC)CC2)cc1 16602622 CXAHXMUAJNBZMX-UHFFFAOYSA-N 276.380 1.792 0 50 CDAA C[C@@]1(N2CCOCC2)CC(=O)N(c2ccccc2)O1 19460894 RRFOYKJICZPJBQ-AWEZNQCLSA-N 262.309 1.403 0 50 CDAA Cn1nc(C(=O)NC2(CO)CC=CC2)c2ccccc21 1857684089 YTSHIGHTIJFBSX-UHFFFAOYSA-N 271.320 1.384 0 50 CDAA Cc1cccc(CNC(=O)[C@H]2[C@@H]3CC[C@H]2CN3)c1C 1857704336 OIOJRATUAABLMN-SOUVJXGZSA-N 258.365 1.918 0 50 CDAA CCCc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)cc1 1857705472 JAEXDPUZYSLYHY-VHDGCEQUSA-N 295.404 1.640 0 50 CDAA Cc1cncc(C(=O)N2C[C@H](C(=O)O)[C@@H](C(C)C)C2)c1 253602520 PLEBZKDGABXWRM-OLZOCXBDSA-N 276.336 1.819 0 50 CDAA CCOC[C@@H](O)Cn1nc(-c2ccc(C)s2)ccc1=O 225570281 XPKZIJDDVFXWCZ-NSHDSACASA-N 294.376 1.678 0 50 CDAA Cc1n[nH]cc1CCCNC(=O)N[C@H]1CCC[C@H]1CN 416433327 OPBXTWJIEGJNCZ-AAEUAGOBSA-N 279.388 1.077 0 50 CDAA CCC[C@H](NC(=O)C[C@@H]1CCC(=O)[C@@H]1C)c1nn[nH]n1 526021356 BZGZYUDQAFATAT-UTLUCORTSA-N 279.344 1.162 0 50 CDAA COC(CN1CC[C@](O)(Cc2cccc(Cl)c2)C1)OC 328587704 FMZXRHACZJJVFR-HNNXBMFYSA-N 299.798 1.938 0 50 CDAA CC(C)[C@@]1(O)CN(C(=O)c2cnc(C3CC3)nc2)C[C@@H]1C 248201906 WOGQVNLQNXMWGV-ZBEGNZNMSA-N 289.379 1.833 0 50 CDAA Fc1ccc(CCN[C@@H]2CCc3ncnn3C2)cc1F 768534163 QYLZYKMSGOGPLN-LLVKDONJSA-N 278.306 1.703 0 50 CDAA COC(=O)CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 352128479 FFPHJVIARNXBNH-IHRRRGAJSA-N 294.395 1.130 0 50 CDAA O=c1c2cccnc2ncn1CCOCC(F)F 252486877 HPUSBRUTPZMFSU-UHFFFAOYSA-N 255.224 1.073 0 50 CDAA Cn1ccc(CN2CCC[C@@]2(CO)Cc2ccccc2)n1 375466858 GRJTUMPXVBHYBI-KRWDZBQOSA-N 285.391 1.990 0 50 CDAA CC(C)c1nc([C@@H](CO)NC(=O)c2ccn(C)n2)cs1 585127070 PGNYLNNASKJMJH-SNVBAGLBSA-N 294.380 1.463 0 50 CDAA CCOCC(=O)NS(=O)(=O)c1cc(C)ccc1C 916171404 OGTLBBJOOBSIHF-UHFFFAOYSA-N 271.338 1.145 0 50 CDAA O=C(NCc1cocn1)[C@@H]1CCN(Cc2ccccc2)C1=O 932275886 ALDWFUPSTYVFHC-AWEZNQCLSA-N 299.330 1.340 0 50 CDAA CCN(Cc1ccccn1)C(=O)CN1CCCCC1 1853180331 MFJUTIUGSBNTAM-UHFFFAOYSA-N 261.369 1.916 0 50 CDAA Cc1[nH]ncc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 227618638 JVTCCZODVZCLJP-DLOVCJGASA-N 277.324 1.576 0 50 CDAA O=C(O)[C@@H]1CCCN1Cc1cccc2c1OCCO2 262668600 QPEJPCAYGGGDKH-NSHDSACASA-N 263.293 1.507 0 50 CDAA CN(C)[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1O 97694673 LEQBSFRKFFDZBB-STQMWFEESA-N 254.761 1.447 0 50 CDAA Cc1ccc(F)cc1CN1CCN2CCOC[C@@H]2C1 328587342 FJGLTBLYJLNGPR-HNNXBMFYSA-N 264.344 1.651 0 50 CDAA Cn1c(CN)nnc1SCc1noc(C2CCCC2)n1 426394730 SBNPABXTLRZOKL-UHFFFAOYSA-N 294.384 1.607 0 50 CDAA Cc1nc(CN2CCCCCCCC2=O)n(C)n1 95523412 DRQAVZRHRVNURU-UHFFFAOYSA-N 250.346 1.806 0 50 CDAA O=C(O)[C@@H](CNS(=O)(=O)c1ccco1)c1ccccc1 574267095 ZPIZKWCHECIIPI-NSHDSACASA-N 295.316 1.426 0 50 CDAA Cc1cccc([C@@H](O)CNCc2nnc(C)s2)c1 825212555 GEBGEHFVHVIPPT-LBPRGKRZSA-N 263.366 1.978 0 50 CDAA C[C@H](NC1=NC[C@@H]2CSCCN12)c1ccns1 2325771456 YKSHJLTYYPDCGK-DTWKUNHWSA-N 268.411 1.581 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1cccc2sncc12 2325777777 CSBHIOMDKIISKL-JTQLQIEISA-N 276.317 1.986 0 50 CDAA S=C(NCc1cccnc1)NCc1cccnc1 56746 KWZKQWNJGMWSDK-UHFFFAOYSA-N 258.350 1.641 0 50 CDAA O=C(NCn1nnc2ccccc21)c1ccccc1 134065 CDZWFIDNOCWJDS-UHFFFAOYSA-N 252.277 1.819 0 50 CDAA COC(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1 153778 NVOKZHQKGPZQFP-UHFFFAOYSA-N 253.279 1.358 0 50 CDAA Cc1ccccc1NC(=O)[C@@H]1CC(=O)N=C(N)S1 177085 WUJOOPJVUGGTQP-VIFPVBQESA-N 263.322 1.280 0 50 CDAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(O)c1 194270 ZWYQUQOTFJTIRZ-VXGBXAGGSA-N 261.277 1.998 0 50 CDAA in-vitro CCc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N)S1 543515 PLLAIXQURJPLMC-SNVBAGLBSA-N 277.349 1.534 0 50 CDAA COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 990797 KKQRDIWDACTPSP-UHFFFAOYSA-N 269.322 1.258 0 50 CDAA Cc1n[nH]c(C)c1C(=O)C[C@]1(O)C(=O)Nc2ccccc21 2493038 DDPDRENRYUGXMZ-OAHLLOKOSA-N 285.303 1.439 0 50 CDAA COc1ccc([C@H]2NC(=O)[C@@H](C)S2)cc1OC 4213857 AUPNGGXXLZJAHC-KRTXAFLBSA-N 253.323 1.954 0 50 CDAA Cc1n[nH]c(SCc2nc3ccccc3c(=O)[nH]2)n1 6428042 CNTHPMVMZUGYMY-UHFFFAOYSA-N 273.321 1.642 0 50 CDAA Cn1c(CN)nnc1SCCCc1ccccc1 109404163 LARIPIHMBBMUII-UHFFFAOYSA-N 262.382 1.999 0 50 CDAA CCOC(=O)C[C@@H]1Nc2nc3ccccc3n2C1=O 9060108 KSOZLVSDQCJWCV-VIFPVBQESA-N 259.265 1.424 0 50 CDAA CC(=O)Cn1ncc(N2CCCCC2)c(Cl)c1=O 1392669 LATILFWTXUENFS-UHFFFAOYSA-N 269.732 1.476 0 50 CDAA COc1ccc(-c2noc(N3CC[C@H](N)[C@H](C)C3)n2)cc1 420192120 SDVFPOIYXNVWNS-MFKMUULPSA-N 288.351 1.919 0 50 CDAA CCCN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nccn2C1 248160861 LGKZVCBBCHTRHM-UONOGXRCSA-N 290.411 1.579 0 50 CDAA CCCOCC(=O)Nc1ncccc1NC(C)=O 135256926 OOILIOTZBPNDBA-UHFFFAOYSA-N 251.286 1.405 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)CN2CCCCCC2=O)n[nH]1 178195235 ARYJZWIRXYFKPG-NSHDSACASA-N 292.383 1.168 0 50 CDAA COC(=O)CCCN(C)[C@@H]1CCN(c2ccccc2)C1=O 117340986 WHGLRWZZAAOTEQ-CQSZACIVSA-N 290.363 1.677 0 50 CDAA O=C(Nc1cc(C2CCCC2)[nH]n1)[C@H]1CCS(=O)(=O)C1 135708671 FHVHIQDFRGDWFE-JTQLQIEISA-N 297.380 1.441 0 50 CDAA C[C@@](O)(CNC(=O)c1ccncc1Cl)C1CC1 310500785 JEWIMUMLJLJDEQ-GFCCVEGCSA-N 254.717 1.626 0 50 CDAA Cc1nc2c(c(NCCCn3ccnc3)n1)CCNCC2 63868315 HQNMWMKXKIGBDA-UHFFFAOYSA-N 286.383 1.172 0 50 CDAA C[C@H](C(=O)N(C)C)N(C)Cc1cnc(-c2ccccn2)nc1 67919745 TYNWZECSHIOYOA-GFCCVEGCSA-N 299.378 1.447 0 50 CDAA CC(C)[C@H](CP(=O)(O)O)NC(=O)Cc1ccccc1 22554012 GKCHZVCHJUBQIW-LBPRGKRZSA-N 285.280 1.548 0 50 CDAA CC(=O)c1cc(CC(=O)N2CC[C@H](CN)C2)cs1 67784248 SWRRTVNDJZQPJZ-SNVBAGLBSA-N 266.366 1.300 0 50 CDAA CC[C@H](O)CN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 229666801 GSWRNMNRZJSCPG-STQMWFEESA-N 270.417 1.632 0 50 CDAA Cn1nc2c(c1NC(=O)Cc1cccnc1)CSC2 1506399351 MNEKPOWMKQJBIM-UHFFFAOYSA-N 274.349 1.743 0 50 CDAA CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@H]1O2 252477500 PIXQMMANEMPAMB-KBUPBQIOSA-N 280.412 1.933 0 50 CDAA CC[C@@H](O)C1CCN(c2ncc(C)c(N(C)C)n2)CC1 65406527 AOTMRPUKTFOENC-CYBMUJFWSA-N 278.400 1.838 0 50 CDAA Cn1cnnc1[C@H]1CN(Cc2ccsc2)CCO1 328631909 KYBNDKZTLZZLMS-LLVKDONJSA-N 264.354 1.450 0 50 CDAA Cc1cc(N(CC2CC2)C[C@H]2CN(C)CCO2)nnc1C 328629464 IGLONFKODZVRNU-OAHLLOKOSA-N 290.411 1.640 0 50 CDAA COc1cc(CN2CCOC[C@H]2CO)ccc1F 216192933 UPTXUHZUVWIOOR-LLVKDONJSA-N 255.289 1.027 0 50 CDAA Cc1ccncc1C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 332265040 FSWJEPIZRMPHJF-CQSZACIVSA-N 286.335 1.337 0 50 CDAA COC(=O)[C@H](C)NC(=O)Cc1c(C)nn(C(F)F)c1C 123947555 ZPWGZNRKJHQKTE-ZETCQYMHSA-N 289.282 1.115 0 50 CDAA Cc1nc(C(=O)NC[C@@H](O)Cc2ccccc2)cs1 71856870 JWLNEKJUDDRUHY-LBPRGKRZSA-N 276.361 1.785 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(=O)[nH]n2)C12CCC2 126196540 HDJBKTQDIJSKDZ-NWDGAFQWSA-N 291.351 1.190 0 50 CDAA CO[C@H]1CCN(C(=O)Cc2ccc(N(C)C)cc2)C1 219457093 ZLVDMLXAXWSOOP-AWEZNQCLSA-N 262.353 1.542 0 50 CDAA OC[C@H]1CC[C@H]2CN(c3noc4ccccc34)CCN2C1 34031478 XVDVTIJHSFDVIE-STQMWFEESA-N 287.363 1.721 0 50 CDAA C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@@H](C)N1 154238587 ZNEDFGXTSBPYLW-ZIAGYGMSSA-N 275.396 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1.771 0 50 CDAA Cc1nc2ccc(C(=O)N3C[C@H](O)CO3)cc2s1 1857683571 WVZCNRYXYVCBLL-VIFPVBQESA-N 264.306 1.353 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](C)O1 408474530 CJPMVVVSEBSPRN-QNWHQSFQSA-N 255.358 1.731 0 50 CDAA Nc1nccc(N[C@H]2COC[C@H]2Cc2ccncc2)n1 1704338180 MVBNSGGNWFXBRU-NEPJUHHUSA-N 271.324 1.123 0 50 CDAA Cc1c(C(=O)N2CCC[C@@](C)(O)CC2)cnn1C 230365688 LJAIHYWRVRPDQV-CYBMUJFWSA-N 251.330 1.106 0 50 CDAA COc1cc2cccc(OC)c(=O)c2c(O)c1OC 5640647 XTJAFDFIRGFIHA-UHFFFAOYSA-N 262.261 1.931 0 50 CDAA in-vitro CC(C)(C)c1csc([C@H]2CN(CC(=O)O)CCO2)n1 236626079 ZLSZRXHOIMCMAE-SECBINFHSA-N 284.381 1.899 0 50 CDAA Cc1nonc1CNC(=O)c1ccncc1Cl 744514796 MMWUFKZSVWKNDO-UHFFFAOYSA-N 252.661 1.356 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CCC2CCOCC2)C1 237946739 AIEMLVFJQYFIEO-LLVKDONJSA-N 255.314 1.126 0 50 CDAA O=C(O)CNC(=O)[C@H]1SCCc2ccccc21 238191233 KVVLDOPLUFUXNV-NSHDSACASA-N 251.307 1.218 0 50 CDAA N[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C1 132279563 FGGXAGPSDXPUGK-GFCCVEGCSA-N 252.745 1.832 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(C(=O)O)o2)[C@H](C)CO1 132607230 UTVLBTKDHGSXBS-HTQZYQBOSA-N 253.254 1.227 0 50 CDAA O=C(O)[C@@H](c1ccc(F)cc1)N1CCS(=O)CC1 572048232 IVHXLDWKOSUUDT-LLVKDONJSA-N 271.313 1.016 0 50 CDAA Cc1cnc(CCNC(=O)[C@H]2NCC23CCCC3)c(C)c1 1615550871 YPEQXRKJBAZBPQ-OAHLLOKOSA-N 287.407 1.889 0 50 CDAA CNCc1nnc(NC[C@@H]2CCN(C3CCCCC3)C2)o1 1772805210 HQZCMJMRTAKGNQ-LBPRGKRZSA-N 293.415 1.856 0 50 CDAA Cc1c(CC(=O)O)nnn1-c1ccccc1Cl 11759150 WGDWFSUTVJTMIB-UHFFFAOYSA-N 251.673 1.856 0 50 CDAA CC(C)[C@H](CO)NC(=O)c1cn(C2CCCCC2)nn1 12708318 CIDGTGYFWUOSNK-ZDUSSCGKSA-N 280.372 1.530 0 50 CDAA c1ccc(CCN2CCC(NN3CCOCC3)CC2)cc1 19169908 NKYQFQYQEVHEMK-UHFFFAOYSA-N 289.423 1.530 0 50 CDAA CCOc1cccc(OCCCN2CCNCC2)c1 19728658 GKSQJKANCMXLES-UHFFFAOYSA-N 264.369 1.759 0 50 CDAA CNc1ncccc1C(=O)NCc1nc2ncccc2o1 1857673884 MWHXNJHQTDCXGB-UHFFFAOYSA-N 283.291 1.590 0 50 CDAA O=C(N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)C1CCCC1 1857739496 LYNLRKYSUXYBAL-ILXRZTDVSA-N 278.396 1.545 0 50 CDAA Cc1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)ns1 1875248587 ZDHFMYCBSBWESD-JTQLQIEISA-N 288.332 1.660 0 50 CDAA O=Cc1ccc2c(c1)OCCOCCOCCOCCO2 4975920 MBJIKIAWNPEHOR-UHFFFAOYSA-N 296.319 1.320 0 50 CDAA in-vitro O=C(O)CCN1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 563529724 RDJRGMZPRFQTOR-AOOOYVTPSA-N 285.246 1.264 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@]1(C)C(=O)O 263367487 AJOBEOWXYPDJDA-WDMOLILDSA-N 285.340 1.036 0 50 CDAA COc1cccc(Cc2noc(C[C@@H]3CNC[C@H]3C)n2)n1 904630709 FKUKYVFJPUTSEU-GHMZBOCLSA-N 288.351 1.462 0 50 CDAA O=S(=O)(c1c[nH]cn1)N1CCC[C@@H]1c1cccs1 15836240 JOSZUQIOEORFGF-SECBINFHSA-N 283.378 1.997 0 50 CDAA O=C1C[C@H](CNCC23CC4CC(CC(C4)C2)C3)CN1 217104468 CONYKTTWMZYMNU-MHCOZEDOSA-N 262.397 1.929 0 50 CDAA C[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc(F)c1 229609229 LBKFPEFWVKURFF-BXUZGUMPSA-N 252.333 1.495 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccc(N(C)C)nc1 121965761 AKHLLJDLOSYWSL-YPMHNXCESA-N 276.384 1.490 0 50 CDAA O=C(c1ccccc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 13479850 YNHLARLBULTYSP-UHFFFAOYSA-N 266.256 1.447 0 50 CDAA C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc(F)cc1F 257366434 YSGOWBYUNSKGGG-GZMMTYOYSA-N 290.335 1.193 0 50 CDAA c1cnc(N2CCC[C@@H](NC3CCOCC3)C2)nc1 37090066 FZUNIRZLYKCDNO-CYBMUJFWSA-N 262.357 1.214 0 50 CDAA CN(C)[C@H]1CCCCN(C[C@H]2CC[C@@H](N)CC2)C1 244872995 WIDKYNYXIGBYFB-ZNMIVQPWSA-N 253.434 1.920 0 50 CDAA Cn1nnc(CN(C[C@@H]2CCCO2)C2CCCC2)n1 194438537 GPPIOEPVJJGBRO-LBPRGKRZSA-N 265.361 1.134 0 50 CDAA CN(CC(=O)N(C)C1CCCCC1)CC1(C)COC1 608492600 LPHZDJXALYSOBP-UHFFFAOYSA-N 268.401 1.746 0 50 CDAA O=C(NCCOC1CCCCC1)[C@H]1C[C@H]2CC[C@H]1NC2 333569207 PLLMNQIHIHXAAP-VHDGCEQUSA-N 280.412 1.840 0 50 CDAA CN1CCCN([C@H](C(=O)O)c2ccsc2)CC1 95366879 MHRLKWZHBUVTKC-NSHDSACASA-N 254.355 1.511 0 50 CDAA CN(Cc1cnc2ccccc2n1)S(C)(=O)=O 670473112 KPPJBEWTLLOHJQ-UHFFFAOYSA-N 251.311 1.021 0 50 CDAA OC[C@@]1(F)CCN(c2ncnc3c2CCCC3)C1 367210754 AGNGHLCVIHJLOZ-CYBMUJFWSA-N 251.305 1.266 0 50 CDAA CN1CCC[C@H](C(=O)N=c2[nH]oc3ccc(F)cc23)C1 2100482444 ZYMVTVGLLGCRGJ-VIFPVBQESA-N 277.299 1.669 0 50 CDAA COCc1nc(-c2ccc3c(c2)OCCO3)nn1C 2100534389 GIPGXNAGUPMYEI-UHFFFAOYSA-N 261.281 1.400 0 50 CDAA CCN(CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2N)C1 299740210 XATJOCDLWKDGDC-MELADBBJSA-N 267.417 1.304 0 50 CDAA NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 442664 SQKJRTVGTVKOTB-ZJUUUORDSA-N 288.303 1.391 0 50 CDAA CN=c1ccc(C(=O)NC2([C@H](O)c3ccccc3)CC2)c[nH]1 2325765466 KNOQFHJPYHSFFJ-OAHLLOKOSA-N 297.358 1.541 0 50 CDAA CN(Cc1ccoc1)C1=NC[C@H](c2cnn(C)c2)N1 2325771419 OQXWZDBZZIEMBY-GFCCVEGCSA-N 259.313 1.145 0 50 CDAA C[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@H]2C(=O)NC[C@@H]12 2325791290 LAPIULIDMIRLTC-LJWDBELGSA-N 298.346 1.160 0 50 CDAA COC(=O)c1nc[nH]c1NC(=O)C1Cc2cscc2C1 2325806576 YHRZXMBEFNKFKY-UHFFFAOYSA-N 291.332 1.611 0 50 CDAA O=C(Cc1nn[nH]n1)N[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1c1ccccc1 2325807958 NGVHSFOIHJWMEK-KNPMLCFXSA-N 295.346 1.217 0 50 CDAA CO[C@@H](C)c1n[nH]c(=Nc2ccc(CC(=O)O)cn2)s1 2356157525 JQSNPTSNKCIFEI-ZETCQYMHSA-N 294.336 1.433 0 50 CDAA COC(=O)CSc1nc(-c2ccccc2OC)n[nH]1 6701435 TXWSLDPLMMJZMH-UHFFFAOYSA-N 279.321 1.745 0 50 CDAA COCCNS(=O)(=O)c1ccc(Cl)c(OC)c1 8714899 YCKCNVVORQJLJX-UHFFFAOYSA-N 279.745 1.273 0 50 CDAA CCOc1cc(S(=O)(=O)NCCCO)c(C)cc1C 54363550 MOWWQNXJVBPDLD-UHFFFAOYSA-N 287.381 1.363 0 50 CDAA CC[C@@H](O)C1CCN(C(=O)Nc2nc(C)ns2)CC1 55227344 GOLPRFFRAQAJFM-SNVBAGLBSA-N 284.385 1.861 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NC1CCCCC1 102233804 GZFZHAGZCXCMND-DJIHRAIXSA-N 263.337 1.958 0 50 CDAA CC(C)(C)OC(=O)NCc1ccc2c(c1)C(=O)NC2 117882748 KCBBFZFFHNIYKG-UHFFFAOYSA-N 262.309 1.955 0 50 CDAA CONC(=O)C(=O)Nc1c(F)cccc1Br 134759215 HYSAEGMWUDBLNA-UHFFFAOYSA-N 291.076 1.204 0 50 CDAA CCC1(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CCOCC1 346698178 JVPDPECZUGDBQO-KBPBESRZSA-N 298.427 1.371 0 50 CDAA CN1CCC[C@@H](CNC(=O)c2cnc3ccccc3n2)C1 170981316 NTATWGMGUYWZGN-LBPRGKRZSA-N 284.363 1.701 0 50 CDAA Cc1nc([C@@H](C)Nc2ccc(-c3nccn3C)nn2)n[nH]1 67966864 URVIGCWHBLFEMM-MRVPVSSYSA-N 284.327 1.477 0 50 CDAA C/C=C/CC(=O)N1CCC(n2cc([C@H](C)O)nn2)CC1 23153616 MGNNGBFIADVOSC-UFFNRZRYSA-N 278.356 1.461 0 50 CDAA COC(=O)c1ncn(C[C@@H](O)c2ccc(F)cc2)c1CO 409444158 ICXBNBQHBMZQBZ-GFCCVEGCSA-N 294.282 1.035 0 50 CDAA c1n[nH]c2c1CC[C@H](c1nc([C@@H]3CCOC3)no1)C2 120113272 ZHKFRHYAOICTDX-WCBMZHEXSA-N 260.297 1.569 0 50 CDAA Cc1cc(C)n([C@@H](C)c2nc([C@@H]3CCOC3)no2)n1 120271849 CIBSEOKIOIMULJ-WDEREUQCSA-N 262.313 1.996 0 50 CDAA CC/C=C/CC(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 65397976 JXOWEHPRWFRZLX-AATRIKPKSA-N 289.379 1.372 0 50 CDAA Cc1cc(N2CC[C@H](N(C)C)C2)nc(-c2cccnc2)n1 65507620 BLWOWQQBTNBGTF-AWEZNQCLSA-N 283.379 1.987 0 50 CDAA Cc1nccnc1-c1ccc(NS(C)(=O)=O)cc1 32560996 ZWFJBZILORZRRI-UHFFFAOYSA-N 263.322 1.824 0 50 CDAA C=CC(=O)N1CCO[C@@H](c2noc(C(C)C)n2)C1 328598301 LAHVDPGBFSNYEW-SECBINFHSA-N 251.286 1.279 0 50 CDAA CC(C)(C)OC(=O)N1CC(N2CCC(F)(F)C2)C1 72267095 JCSMXSJXCVDXDS-UHFFFAOYSA-N 262.300 1.947 0 50 CDAA CCCn1cc(CNc2cccnc2-n2cncn2)cn1 128873800 VAQREKGDRNVOMN-UHFFFAOYSA-N 283.339 1.881 0 50 CDAA COCCN(C[C@H]1CC=CCC1)C(=O)[C@H]1CCC(O)=N1 330085892 RNVVYHFMSANCIW-QWHCGFSZSA-N 280.368 1.937 0 50 CDAA Cc1ncc2c(c1CNC(=O)Cc1ccccc1)CCNC2 72458998 BXGUGKMDKAFTPL-UHFFFAOYSA-N 295.386 1.895 0 50 CDAA Cc1cc(C(=O)NCC(C)(C)CN(C)C)c(=O)n(C)c1C 215481192 ZHRVMVUVXWNEEH-UHFFFAOYSA-N 293.411 1.320 0 50 CDAA CC1(CNC(=O)N2CCC[C@@H](CCO)CC2)CCNCC1 332276820 HAHGNYLUWPVWIM-CQSZACIVSA-N 297.443 1.570 0 50 CDAA CCc1ccc(C(=O)N[C@H]2C[C@H](O)C2(C)C)c(O)c1 332498871 YWTFLXLXHRLJLA-STQMWFEESA-N 263.337 1.844 0 50 CDAA COc1ccc(C(=O)CCC(=O)N[C@@H]2CCNC2)cc1 126808630 QTXCHJIXJLAWJS-GFCCVEGCSA-N 276.336 1.136 0 50 CDAA CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC)C1 261718806 LHJSKJRXKJKNPT-OLZOCXBDSA-N 253.390 1.071 0 50 CDAA CC1(C)CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 333186716 QYIDUZICNAEMDI-SECBINFHSA-N 293.392 1.875 0 50 CDAA CCOc1ccc(C(=O)NCc2ccc(C(=O)O)o2)o1 218173825 AWHOTOCXMAXGOM-UHFFFAOYSA-N 279.248 1.900 0 50 CDAA CN(CC1CCOCC1)C(=O)c1ccncc1F 127926644 DKJZYTPPCJSILW-UHFFFAOYSA-N 252.289 1.719 0 50 CDAA COCc1nc(C)cc(NC2CC(N3CCOCC3)C2)n1 521398498 KJWIVHOQTXRMLF-UHFFFAOYSA-N 292.383 1.207 0 50 CDAA COc1ccc(CN2CCN(Cc3ccccn3)CC2)cn1 215789155 BFXPLRNKFYOJCL-UHFFFAOYSA-N 298.390 1.803 0 50 CDAA O[C@H](Cn1nnnc1/C=C/c1ccccc1)C(F)(F)F 158329942 KFDLYXKVRPOKMI-VQCYPWCPSA-N 284.241 1.767 0 50 CDAA O=C(N[C@@H]1CCn2ccnc2C1)c1cc(Cl)c[nH]1 335281179 PORDBHGMYWBREF-SECBINFHSA-N 264.716 1.609 0 50 CDAA COC(=O)N[C@H](C)C(=O)NCc1c(C)cc(C)nc1OC 219679375 UZXLDMVUTUOTSS-SNVBAGLBSA-N 295.339 1.068 0 50 CDAA CC(=O)Nc1nc(C(=O)N2CC[C@@H]2C(C)C)cs1 336480360 RFEUCXFSSLEKTN-SNVBAGLBSA-N 267.354 1.972 0 50 CDAA CCOC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 79065928 ZPAXXNFEMNYXCF-GFCCVEGCSA-N 261.293 1.899 0 50 CDAA Cc1cc(CNC(=O)[C@H]2CCCO[C@H]2C)n(C)n1 284124904 OXSQDWSRTXCMHB-JQWIXIFHSA-N 251.330 1.160 0 50 CDAA CC1=CCC[C@H](C)[C@H]1CN1CCN2C(=O)NC(=O)[C@H]2C1 239762572 CMEJHLVQROTNKY-RWMBFGLXSA-N 277.368 1.215 0 50 CDAA Cc1ccnc(N2CC[C@H](Oc3cccnc3)C2)n1 240555623 GWQQLNPJNROYGS-ZDUSSCGKSA-N 256.309 1.838 0 50 CDAA O=S(=O)(CCNCc1cccnc1)N1CCCCCC1 40451277 FTJSUXPWDNHOFP-UHFFFAOYSA-N 297.424 1.377 0 50 CDAA NC(=O)c1cc(NC(=O)c2nccc3ccccc23)c[nH]1 176750263 JHCHODCGTUJTIE-UHFFFAOYSA-N 280.287 1.914 0 50 CDAA NC(=O)c1ccc(CN2CCC3(CCO3)CC2)cc1 240936825 SEJUAQPHINYPTD-UHFFFAOYSA-N 260.337 1.540 0 50 CDAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccon3)CC2=O)cc1 82120175 RBAGFGWNMUTTGZ-GFCCVEGCSA-N 299.330 1.861 0 50 CDAA Cc1[nH]nc2c1CN(C(=O)C[C@@H]1CCCOC1)CC2 426533760 HTNSAICWIFFYBN-NSHDSACASA-N 263.341 1.420 0 50 CDAA Cc1ccc2c(c1)cc(C(=O)NCCn1ccnn1)n2C 426656962 OESMDNMEEONJIM-UHFFFAOYSA-N 283.335 1.508 0 50 CDAA CC(C)c1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)no1 82156116 GMEVGYZLAWYWLT-UHFFFAOYSA-N 294.355 1.237 0 50 CDAA N=c1[nH]c([C@@H]2CCOC2)cc(=NCC2=CCCCC2)[nH]1 426589918 DNJWATFUIDCDHB-GFCCVEGCSA-N 274.368 1.727 0 50 CDAA Cc1cnc(CNC(=O)[C@@H]2COc3ccccc3O2)cn1 96149156 ZZSVTYHJNCXDOQ-AWEZNQCLSA-N 285.303 1.241 0 50 CDAA c1nc([C@H]2COCCO2)n(-c2ccc3c(c2)OCCO3)n1 96149694 HAJNZKMBKCXTKD-CYBMUJFWSA-N 289.291 1.126 0 50 CDAA CCc1cnc(N(C)C[C@H]2CC(=O)N(CC)C2)nc1 95386370 LNPCTVCVUHQCKZ-GFCCVEGCSA-N 262.357 1.344 0 50 CDAA O=S1(=O)N=C(O)N(c2ccc(F)cc2)c2ncccc21 96511557 UEXVAWNIURTPHO-UHFFFAOYSA-N 293.279 1.975 0 50 CDAA CC1=N/C(=C\c2cc(F)c(O)c(F)c2)C(=O)N1C 98208407 ZDDIJYXDUBFLID-YHYXMXQVSA-N 252.220 1.902 0 50 CDAA in-vitro CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1nccs1 182694885 PUYXRMIWOOIXRZ-GHMZBOCLSA-N 288.438 1.631 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CC12CCNCC2 534587330 NETSEKQRVQEERN-AWEZNQCLSA-N 290.411 1.465 0 50 CDAA CN(C)c1ccncc1CNC[C@@H]1CN(C2CC2)CCO1 185190517 PUTRYMJMBRUIGE-OAHLLOKOSA-N 290.411 1.100 0 50 CDAA C[C@H](NC(=O)c1nc[nH]n1)c1nc2c(s1)CCCC2 534657496 KWVXRDZNULNMJY-ZETCQYMHSA-N 277.353 1.631 0 50 CDAA O=C(CCc1nc(O)n[nH]1)N1CC=C(c2ccccc2)CC1 1940196256 VPNAUZZYGQTYSD-UHFFFAOYSA-N 298.346 1.759 0 50 CDAA O=C(NCc1cc2ccccc2s1)[C@@H]1COCCO1 299264829 HSJAWDKPJZPMTN-LBPRGKRZSA-N 277.345 1.933 0 50 CDAA COc1cc(C)ccc1S(=O)(=O)N(C)C[C@@H]1CCOC1 824541261 GPUWOXMJXCZVIY-LBPRGKRZSA-N 299.392 1.661 0 50 CDAA CCCN1CCC(Nc2ncc(F)c(N(C)C)n2)CC1 822920742 GDUQHRDZNGRKSW-UHFFFAOYSA-N 281.379 1.968 0 50 CDAA CC(C)CN1CC[C@H](CN(C)c2cc(O)ncn2)C1 821246013 GWZGANPOVZPNQK-GFCCVEGCSA-N 264.373 1.596 0 50 CDAA C1CCCC(N[C@H]2COC[C@@H]2N2CCOCC2)CCC1 820408947 ADPXFGLBHCIMAA-HOTGVXAUSA-N 282.428 1.789 0 50 CDAA C[C@@H]1C(=O)C[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]1c1ccccc1 828244727 ICLCRPOZQSDAEB-LGOOBZPGSA-N 257.289 1.268 0 50 CDAA COCc1nc(CSC)n(-c2cccc(C)n2)n1 824920118 SVTCSVYAWUDHFM-UHFFFAOYSA-N 264.354 1.980 0 50 CDAA COCC1(C(=O)N2CC[C@](O)(c3ccccc3)C2)CCC1 584888646 PQAVDHCJNHXVID-QGZVFWFLSA-N 289.375 1.923 0 50 CDAA O=C(O)[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)[C@H]1CC=CCC1 585134161 GIPFKQRQKRKPMG-AXFHLTTASA-N 281.308 1.119 0 50 CDAA COc1nc(N2CCC(CC(=O)N(C)C)CC2)ncc1F 670454601 IKCNOJJOYXJEPZ-UHFFFAOYSA-N 296.346 1.319 0 50 CDAA NC[C@@H]1CCN[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 757216240 ZISZUACPNHCOLW-ZNSHCXBVSA-N 265.323 1.244 0 50 CDAA COc1ccc(Cn2c(=O)[nH]c3c(c2=O)CCC3)cc1 66349019 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CC(C)C(=O)Nc1cccc(C(=O)N2C[C@H](O)CO2)c1 1506401410 JEKBYVUXMDLJEZ-LBPRGKRZSA-N 278.308 1.029 0 50 CDAA C[C@@H]1OCC[C@H]1c1nnc(NC[C@H]2CCOC2)o1 1353896454 KXNIKAZSHRBVHD-IVZWLZJFSA-N 253.302 1.410 0 50 CDAA O=C1C[C@H](C(=O)Nc2nnc3n2CCCC3)c2ccccc21 277067833 DTDALILEOZCHDG-LBPRGKRZSA-N 296.330 1.923 0 50 CDAA O=C(NCC(F)(F)CO)c1cccnc1OCC(F)F 170596854 NAQPHGIYYQNIEJ-UHFFFAOYSA-N 296.220 1.083 0 50 CDAA Cc1nc(C(=O)NC[C@](C)(O)c2ccccc2)co1 170600251 QQSFKUUCENSIBY-AWEZNQCLSA-N 260.293 1.621 0 50 CDAA O=C(N[C@H]1COc2ccccc21)N1CC(O)(C2CC2)C1 170617069 OJUQKQNOJLUIRA-LBPRGKRZSA-N 274.320 1.286 0 50 CDAA CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C 408053010 NGVFMYKTGQZUDD-PWNZVWSESA-N 296.411 1.707 0 50 CDAA COC(=O)[C@H]1CC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 408337160 DZVCVWHGYWHGRR-LPEHRKFASA-N 275.295 1.880 0 50 CDAA C[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@]2(CCOC2)O1 280181053 IAGYMIXYGWVFOQ-YGRLFVJLSA-N 274.324 1.342 0 50 CDAA Cc1cc(CC(=O)N[C@@H]2COc3ccccc3C2=O)n(C)n1 584780304 DGFHQNXEZLSILO-CYBMUJFWSA-N 299.330 1.031 0 50 CDAA NCc1cc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)co1 188015683 JKCHHYXZWKSVSL-UPJWGTAASA-N 264.325 1.426 0 50 CDAA COC(=O)[C@@](C)(CO)NCc1ccc(Cl)s1 585094467 KESUQNLJYBIHGN-SNVBAGLBSA-N 263.746 1.415 0 50 CDAA CCCCCOCC(=O)NC1(CCO)CCN(C)CC1 585125834 HCBXCYOUHTYFTJ-UHFFFAOYSA-N 286.416 1.156 0 50 CDAA CN(CC1(CO)CC1)C(=O)C[C@@H]1C(=O)Nc2ccccc21 189116606 BEGVSIUYGPWVCB-LBPRGKRZSA-N 288.347 1.343 0 50 CDAA CC/C(C)=C/C(=O)N1CCCC[C@H]1c1n[nH]cc1C(N)=O 685942402 PIYFIBUOIPEOSF-OANVXVOSSA-N 290.367 1.919 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1cc(OC)ccc1F 643764404 WYOHQZZCULEZDH-OAHLLOKOSA-N 296.342 1.301 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)C[C@H]2C=CCC2)cn1 193016061 CWZKRRFTBBJVPR-JTQLQIEISA-N 277.324 1.998 0 50 CDAA O=C(O)c1ccc(=NCC2(c3ccccn3)CC2)[nH]n1 649395222 HCVJACJKULSERS-UHFFFAOYSA-N 270.292 1.135 0 50 CDAA C[C@@H](C(=O)NS(=O)(=O)c1ccccc1)c1ccco1 744004643 IRXSRGADCVBDCL-SNVBAGLBSA-N 279.317 1.888 0 50 CDAA COc1cccc(CS(=O)(=O)NC(=O)C2(C)CCC2)c1 785111984 UNIXGSGMMCFNIO-UHFFFAOYSA-N 297.376 1.831 0 50 CDAA CC[C@H](CO)N(Cc1cccnc1)Cc1nc(C)no1 1529152608 VITQAOFBBPTMCF-CYBMUJFWSA-N 276.340 1.546 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3cccnc3)C[C@@H]2O)on1 1529184993 HGOSHYDGPDBMNR-HIFRSBDPSA-N 273.336 1.413 0 50 CDAA CN(Cc1cnc2ccccc2n1)c1n[nH]c(=N)s1 1857668157 UYLZMVQKEFXSJC-UHFFFAOYSA-N 272.337 1.530 0 50 CDAA O=C(O)CCN1CCC[C@@H](N2CCCCCC2)C1 212818281 WOPNRZMQDGUJQB-CYBMUJFWSA-N 254.374 1.802 0 50 CDAA N[C@H]1CC[C@H](NC(=O)c2ccccc2-n2cccn2)C1 214945982 VRBBFZJQJZBJDL-RYUDHWBXSA-N 270.336 1.482 0 50 CDAA CC(C)(C)[C@H](O)CN1CCC[C@@H](c2nc[nH]n2)C1 407949123 UDOFXJGLCZVPAV-GHMZBOCLSA-N 252.362 1.391 0 50 CDAA O=C(CCc1ccsc1)N(CCO)Cc1ncc[nH]1 1704312288 OPUUBOUAIUIEGQ-UHFFFAOYSA-N 279.365 1.425 0 50 CDAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2cccnc2)CC[C@@H]1O 1704333158 XDXBBJCZQHNVJS-HZSPNIEDSA-N 278.352 1.216 0 50 CDAA CN(C)c1nccnc1NCCC[C@H]1CCOC1 1704345471 XRJURXFKNHZOSL-NSHDSACASA-N 250.346 1.771 0 50 CDAA Cc1ccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c(Cl)c1 1704308559 FBLAMTDOKPPUDW-OLZOCXBDSA-N 294.782 1.595 0 50 CDAA CC(C)(C)OC(=O)N1CCC(C[C@H](N)C(=O)O)CC1 16697291 JLCGFHQWQKGPIV-JTQLQIEISA-N 272.345 1.436 0 50 CDAA in-vitro O=C(c1cc(O)nc(C2CC2)n1)N1CCC[C@H]1CF 565200517 PBGVXNOQWKPPMM-VIFPVBQESA-N 265.288 1.634 0 50 CDAA CC[C@H](C(=O)O)N(C)S(=O)(=O)Cc1ccc(C)c(C)c1 578196710 QUXYYPWTVBZFCH-CYBMUJFWSA-N 299.392 1.928 0 50 CDAA Cc1nscc1C(=O)N1CC[C@@](F)(C(=O)O)C1 262840001 ZLRZFSNLMBVKKJ-JTQLQIEISA-N 258.274 1.090 0 50 CDAA CN1C[C@@H](CO)O/C1=C(C#N)\C=C1\Nc2ccccc2C1=O 5073547 MIHHJPNELHZNIQ-IHEABENUSA-N 297.314 1.237 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1NC(=O)CCC1CCOCC1 1615552276 DIENEURWURMKDV-NVXWUHKLSA-N 288.391 1.934 0 50 CDAA COc1ccc(CCC(=O)N2C[C@H](O)[C@@H](F)C2)cc1OC 1616105845 HBLXQDXZWFQQES-RYUDHWBXSA-N 297.326 1.178 0 50 CDAA O=C1C[C@@H]2CN(Cc3cccc(O)c3Cl)C[C@@H]2CN1 1775982237 MSYWTHQVEDBNPX-MNOVXSKESA-N 280.755 1.614 0 50 CDAA O=C(COCc1ccccc1)N[C@H]1CCCN2CCC[C@@H]12 1772819796 UANNRIMKKVKTKY-HOTGVXAUSA-N 288.391 1.946 0 50 CDAA CC(=O)N1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1 12379384 BVFJDZBWIBFUDH-UHFFFAOYSA-N 289.379 1.950 0 50 CDAA CC(=O)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 19790464 UWECXNUMQSUOLD-SSDOTTSWSA-N 275.563 1.151 0 50 CDAA Cc1nc[nH]c1-c1nccn1C1CCS(=O)(=O)CC1 1857714961 UTRXFICYQMGDLL-UHFFFAOYSA-N 280.353 1.331 0 50 CDAA CCc1ccc(CCNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)cc1 1857718638 YHUNZRIZMHQUAU-KKUMJFAQSA-N 276.380 1.006 0 50 CDAA CC(C)(C)c1nnc2ccc(NC[C@@H]3CC[C@H](O)C3)nn12 225491099 NNJDXNUYGQSQEJ-MNOVXSKESA-N 289.383 1.995 0 50 CDAA CC[C@H](C)n1nc(C(=O)NC2CCN(C)CC2)cc1C 330719735 BERIROGNZZAKEZ-NSHDSACASA-N 278.400 1.987 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3C(=O)O)c2c1 237863712 WLVUZBJJKSXOQF-NSHDSACASA-N 273.292 1.561 0 50 CDAA CCc1ccc(CN2CC[C@@H](O)C[C@H]2C(=O)OC)cc1 252253162 MJFCJLQHUNTXMW-CABCVRRESA-N 277.364 1.747 0 50 CDAA COc1ccccc1CCN(C)C(=O)[C@H]1NCCO[C@@H]1C 261889075 GGHFAQDYHBQUCU-DOMZBBRYSA-N 292.379 1.073 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)NCC(C)(C)c1ccccc1F 262022514 WSRCQDZDARSBGI-RISCZKNCSA-N 294.370 1.596 0 50 CDAA COCC(C)(C)c1noc(CCn2c(C)csc2=O)n1 585120298 FQGZXMKQZWKRME-UHFFFAOYSA-N 297.380 1.768 0 50 CDAA CC[C@](CNC(=O)[C@@H]1CCCO1)(C(=O)O)c1ccccc1 263003163 MZXRUUYKSTUVOJ-XJKSGUPXSA-N 291.347 1.714 0 50 CDAA Cn1cnnc1[C@@H]1CCCN(c2ncc(Cl)cn2)C1 267097481 ODCDVPGVLLGBDF-SECBINFHSA-N 278.747 1.643 0 50 CDAA Nc1cncc(N2CCC[C@@H](CN3CCCC3)C2)n1 1857679419 LETGYDFYXZBVKF-LBPRGKRZSA-N 261.373 1.371 0 50 CDAA Cc1nc(C)c(C(=O)N2CC[C@@H]3NCCC[C@@H]3C2)s1 1857675854 KIAZLCNCTHMGJR-NEPJUHHUSA-N 279.409 1.974 0 50 CDAA Cn1nc2c(c1C(=O)N=c1cc[nH]c3cccnc13)CCC2 905828346 XNVHVSVANFQWOV-UHFFFAOYSA-N 293.330 1.526 0 50 CDAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cc1cncn1C 806873293 YNPBGNAFTOCNCJ-CQSZACIVSA-N 285.351 1.255 0 50 CDAA C[C@@H](O)C1(NC(=O)c2ccc(OC(F)F)nc2)CC1 825677571 HOVMLXMGGCGJDS-SSDOTTSWSA-N 272.251 1.326 0 50 CDAA Cc1c(CN(C)C(=O)c2cc3cccn3cn2)cnn1C 935727936 KIXQFJZUOSIEEQ-UHFFFAOYSA-N 283.335 1.648 0 50 CDAA Cc1ccc(CC(=O)NCCc2nc(=O)o[nH]2)cc1Cl 935706085 ORURYDFBAKSCCB-UHFFFAOYSA-N 295.726 1.226 0 50 CDAA CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)[N@]1O[C@]13C2(Cl)Cl 1857522572 HAMBQYFZDBYWHU-WIAOZWKXSA-N 298.191 1.883 0 50 CDAA O=C1[C@@H]2CCCCN2C(=S)N1c1ccccc1O 1857533489 CPWJIZCDZBCUHZ-JTQLQIEISA-N 262.334 1.878 0 50 CDAA NC(=O)C1CCN(C(=S)NC2CCCCC2)CC1 257755 VNXDYDPXHSSLIL-UHFFFAOYSA-N 269.414 1.391 0 50 CDAA CCN1CCN(CCN2CCc3sccc3C2)CC1 20537575 IVFSLXKLYCYKJJ-UHFFFAOYSA-N 279.453 1.744 0 50 CDAA CC[C@@H]1CCCCN1C(=O)NCCN1C(=O)CCC1=O 114029810 KVQZTDZXGFCKHG-LLVKDONJSA-N 281.356 1.110 0 50 CDAA Cc1nc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)sc1C 226545814 JTQRSRCJNVBAHX-KYXWUPHJSA-N 294.332 1.353 0 50 CDAA Cc1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 4498555 GRHQUUFCIYGUGS-SNVBAGLBSA-N 268.338 1.304 0 50 CDAA Cc1cscc1C(=O)N1CCC(O)(C(=O)O)CC1 262115385 OUHHZZUMVKBFJX-UHFFFAOYSA-N 269.322 1.108 0 50 CDAA Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)O)CC[C@H]1C 263537203 ZYTMXMMOOSKZTM-XCBNKYQSSA-N 266.297 1.617 0 50 CDAA Cn1nnc(CN(Cc2cccs2)C[C@@H]2CCCO2)n1 194442007 XVVMVOHVHJLWPZ-NSHDSACASA-N 293.396 1.453 0 50 CDAA CCN(CCCCO)C(=O)c1cccc2nccnc12 97076670 HVISWDPWUHBEPL-UHFFFAOYSA-N 273.336 1.864 0 50 CDAA CCCn1ccnc1CNC(=O)c1ccc(CO)o1 534644238 IBAANVXSHKZZCL-UHFFFAOYSA-N 263.297 1.308 0 50 CDAA CCCOC[C@H]1CCN(c2cc(C)nc(N)n2)C1 91551265 MOTWRVDLUMCZJA-NSHDSACASA-N 250.346 1.620 0 50 CDAA COc1ccc(-n2c(N)c(C=O)c(=O)[nH]c2=S)cc1 337996 RVERHLIBOJAHKA-UHFFFAOYSA-N 277.305 1.298 0 50 CDAA O=C(O)c1cc(NC(=O)C2([C@@H]3CCCN3)CC2)ccc1O 2325780261 TVAHJQMMTDUCGF-LBPRGKRZSA-N 290.319 1.561 0 50 CDAA CCn1c(=O)n(CC2=NO[C@H](C)C2)c2ccccc21 2325787921 BYEGZAUBXSVJND-SNVBAGLBSA-N 259.309 1.988 0 50 CDAA Cn1cc(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)c([C@H]2CCCO2)n1 2325819752 OXPCZXYJPPWVHZ-DNIRFERGSA-N 275.352 1.800 0 50 CDAA CN1CCC2(CC1)C(=O)c1ccccc1S2(=O)=O 1857795663 IUZNJACXLZEXFV-UHFFFAOYSA-N 265.334 1.121 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 46720 CJLFFVZIOLBAGN-UHFFFAOYSA-N 281.289 1.456 0 50 CDAA COc1ccc(C(=S)N2CCOCC2)cc1O 49415 FZKGWXMHZSIUIU-UHFFFAOYSA-N 253.323 1.409 0 50 CDAA Nc1cnc2ccc3nn(-c4ccccc4)nc3c2n1 189666 KYIREUFWYOUZIH-UHFFFAOYSA-N 262.276 1.946 0 50 CDAA O=C(NC1=NCCS1)c1ccc2snnc2c1 270068 JSYYILSHLPVPJB-UHFFFAOYSA-N 264.335 1.524 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(O)c1 392997 DXOBDEKBOIZKAX-GFCCVEGCSA-N 292.291 1.202 0 50 CDAA COc1cc(CN2CCC[C@H](O)C2)cc(OC)c1OC 2490716 GGXNBMCMKMAKCH-LBPRGKRZSA-N 281.352 1.669 0 50 CDAA CCCCOc1ccc(NC(=O)C(=O)NC)cc1 2837771 PGUXJKNNXYXXTI-UHFFFAOYSA-N 250.298 1.550 0 50 CDAA Cc1ccc(NC(=O)C[C@@H]2SCCNC2=O)c(C)c1 4511181 JGZZFLDEXGAPKJ-LBPRGKRZSA-N 278.377 1.864 0 50 CDAA C[C@@H]1CN1C(=O)NCCCCCCNC(=O)N1C[C@H]1C 4722635 QJMVVECCBAWCLZ-SKLAPFLYSA-N 282.388 1.374 0 50 CDAA CCCNC(=O)c1ccc(NS(=O)(=O)CC)cc1 4809560 XXFUHXHNLZKDHI-UHFFFAOYSA-N 270.354 1.588 0 50 CDAA COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1F 4833395 PBAMDDYOMURJQY-NSHDSACASA-N 289.270 1.274 0 50 CDAA COc1ccc(CCNC(=O)c2ccnn2C)cc1OC 6699937 KNKKBLPVGLRZAV-UHFFFAOYSA-N 289.335 1.410 0 50 CDAA CN1C(=O)c2ccc(C(=O)NC3CCCC3)cc2C1=O 6703869 FDKSORGFQNLZQS-UHFFFAOYSA-N 272.304 1.585 0 50 CDAA COC(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1 10454284 PDKWGDXETCPCJX-GFCCVEGCSA-N 263.293 1.382 0 50 CDAA Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ncn[nH]2)c1C 55370605 DQUIHCOACBWEMC-GFCCVEGCSA-N 288.351 1.986 0 50 CDAA CCn1nc(NC(=O)Cn2ccnc2)c2ccccc21 63883066 RYKUYANRRVTJHD-UHFFFAOYSA-N 269.308 1.891 0 50 CDAA Cc1ccc(F)cc1-n1c(Cc2cccnc2)n[nH]c1=O 67965844 BCMKKIDLXSNMNJ-UHFFFAOYSA-N 284.294 1.994 0 50 CDAA O=c1cc([C@H]2CCCNC2)nc(-c2ccc3c(c2)OCO3)[nH]1 23153438 QJZYOOPDKVBQQE-NSHDSACASA-N 299.330 1.633 0 50 CDAA C[C@@]1(CNS(=O)(=O)CC2CCCC2)CCCO1 178367736 UXNCRWUIEFOQSF-LBPRGKRZSA-N 261.387 1.665 0 50 CDAA CCO[C@H]1COC[C@@H]1NC1CCC2(CCNCC2)CC1 67740245 FPBGPFPCXAZUTQ-GJZGRUSLSA-N 282.428 1.692 0 50 CDAA CSCC[C@H](O)C(=O)NCCc1ccc(C)s1 216026784 QJZFEQUVWVTOMS-NSHDSACASA-N 273.423 1.829 0 50 CDAA NC(=O)c1ccnc(N2CCC[C@H](c3ccn[nH]3)C2)c1 67491170 ZNRLHNIPXLBESP-NSHDSACASA-N 271.324 1.288 0 50 CDAA O=C(NCCn1cnc2ccccc2c1=O)c1ccccn1 20728781 QOJHPJCGYMFWGH-UHFFFAOYSA-N 294.314 1.222 0 50 CDAA O=S(=O)(CCC1CCC1)N1CC[C@@H]2CNC[C@@H]2CC1 311763417 WJIQBOYGQCKICE-OKILXGFUSA-N 286.441 1.438 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)NCC1CCCCCC1 331462017 IOZZWWSPELZCQG-UHFFFAOYSA-N 285.413 1.977 0 50 CDAA Cc1cc(OCC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc(C)c1Cl 423666492 MFJKGKMCFLPHGY-JYAVWHMHSA-N 294.782 1.670 0 50 CDAA O=C(NCCc1csc2c1CCCC2)c1cnn[nH]1 72148697 FYKLSIIAMZUAIQ-UHFFFAOYSA-N 276.365 1.718 0 50 CDAA CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H]1C[C@@H](C)OC1=O 229829453 RAGLYYFKGLUAIT-MHDGFBEUSA-N 294.395 1.317 0 50 CDAA Cc1nc2ccccc2n1Cc1cn(C2CCNCC2)nn1 63857709 PTMYXQJLZMSYKU-UHFFFAOYSA-N 296.378 1.909 0 50 CDAA CCCOc1ccc(OCCN2C[C@@H](O)[C@H](F)C2)cc1 1506414226 NADRLBUTSSARLO-HUUCEWRRSA-N 283.343 1.869 0 50 CDAA CC1(C)[C@H](NC(=O)N2CCOCC2)[C@@H]2CCCO[C@H]21 230092354 SHAQUKQMPYFEPJ-QJPTWQEYSA-N 268.357 1.232 0 50 CDAA C[C@H]1C(=O)NCCN1c1nc(Cl)nc2sccc12 235448161 QYRCVONKUBZSIU-LURJTMIESA-N 282.756 1.669 0 50 CDAA Ic1cnn(Cc2ccncc2)c1 38537886 VJZJXZDOGRDNQI-UHFFFAOYSA-N 285.088 1.931 0 50 CDAA in-vitro NCCC1CCN(S(=O)(=O)c2ccccc2)CC1 34928777 QUVAYZPNAPGERR-UHFFFAOYSA-N 268.382 1.436 0 50 CDAA CC(C)(C)c1nnnn1CC(=O)NCC1CCCCC1 330532799 NJSFZHUWPTYNLK-UHFFFAOYSA-N 279.388 1.667 0 50 CDAA O=C(CCc1ncccn1)N[C@H]1c2ccccc2C[C@H]1O 521852877 VWQQWOAQTSOZGO-CJNGLKHVSA-N 283.331 1.184 0 50 CDAA COC(=O)c1n[nH]cc1NC(=O)c1ccc(F)c(C)c1 357207355 UECKFZOYKPBRNI-UHFFFAOYSA-N 277.255 1.896 0 50 CDAA COC[C@H](NC(=O)c1cccc(-n2cccn2)n1)C1CC1 152018069 DVKQDDQMHPROAY-ZDUSSCGKSA-N 286.335 1.422 0 50 CDAA CCn1c(C)cc(C)c(C(=O)NCC(F)(F)F)c1=O 215675269 ZXGKGVFBIOSMDT-UHFFFAOYSA-N 276.258 1.777 0 50 CDAA CC(C)c1noc(CCC(=O)N[C@]2(C)CCO[C@@H]2C)n1 330860600 WDZGZYZHLKCRSH-QMTHXVAHSA-N 281.356 1.809 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CNC(=O)C2)C1 258147924 ZTPXDUOFSULYBY-VHSXEESVSA-N 254.330 1.380 0 50 CDAA Cc1ccc(C(=O)NCCSc2nncn2C)s1 215682482 DHEKVXOYRPCHBO-UHFFFAOYSA-N 282.394 1.707 0 50 CDAA C/C=C/CS(=O)(=O)CC(=O)N(CC(C)C)C(C)C 154789708 LZCOEWGMQQSLSX-VOTSOKGWSA-N 275.414 1.870 0 50 CDAA COC(=O)c1cccc(S(=O)(=O)Cl)c1C(=O)OC 212208640 MZRKGIKRCHFJIY-UHFFFAOYSA-N 292.696 1.187 0 50 CDAA C[C@@H]1CC[C@H](CNC(=O)Cc2nc3ncccn3n2)C1 331500541 PVIOWHQTVXGKEU-MNOVXSKESA-N 273.340 1.219 0 50 CDAA COCc1nc(CN2C[C@H](OC)Cc3ccccc32)no1 369211578 AOCGIWSTLVRLED-GFCCVEGCSA-N 289.335 1.794 0 50 CDAA CSCC[C@H]1NC(=O)CN(Cc2ccccc2)C1=O 79524491 QCBJHWSHZZMFTL-GFCCVEGCSA-N 278.377 1.267 0 50 CDAA CCc1nc(C)c(-c2nccn2CCN2CCOCC2)[nH]1 71758970 PSUMFAGJOHIDDT-UHFFFAOYSA-N 289.383 1.476 0 50 CDAA COc1cccc(OC)c1Cn1cnc2nccnc2c1=O 32576620 PQUZWQWJHZKQHQ-UHFFFAOYSA-N 298.302 1.252 0 50 CDAA COc1ncc(Cl)c(N[C@@H]2CCC[C@@H]2C(=O)O)n1 157734357 IXWWDYQNZACFRF-POYBYMJQSA-N 271.704 1.804 0 50 CDAA CN1CCN(C(=O)c2cnc[nH]2)C[C@@H]1Cc1ccccc1 284838962 ZFBBEVXXIDCUEL-AWEZNQCLSA-N 284.363 1.409 0 50 CDAA O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CC[C@@H](O)C12CCCC2 333984276 FJTPIDLRHYHAQN-FDYHWXHSSA-N 280.368 1.395 0 50 CDAA CCOc1cc(C(=O)N[C@H]2CCc3n[nH]cc3C2)on1 449862085 VCFMQYVICMXOEA-VIFPVBQESA-N 276.296 1.084 0 50 CDAA O=C(c1ccnn1C1CCCC1)N1CC[C@]2(CCNC2)C1 334605104 YKVRQSGWVSXAFX-INIZCTEOSA-N 288.395 1.824 0 50 CDAA C[C@H]1CC[C@@](C)(C(=O)NCc2nncn2C)C1(C)C 335117331 RMWFSXNATIQYJP-HZMBPMFUSA-N 264.373 1.894 0 50 CDAA CCCc1cc(C(=O)N2CCOC[C@@H](O)C2)cs1 77376354 TVBWGINXCQBJEV-NSHDSACASA-N 269.366 1.534 0 50 CDAA C[C@H]1OCC[C@@H]1NC(=O)c1cc(F)cc2nc(S)[nH]c12 129904182 CBSDOTVBPRDIFO-MUWHJKNJSA-N 295.339 1.898 0 50 CDAA CN1CCC[C@@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 336150783 LMFIWAXVHQSIML-OAHLLOKOSA-N 276.384 1.287 0 50 CDAA COc1ncccc1N(C)C(=O)[C@@H]1CCCCO1 130606934 HSBALUCJYAIHLK-NSHDSACASA-N 250.298 1.622 0 50 CDAA Cc1ccc2c(c1)CN(Cc1cnnn1C)CCO2 289207694 BVHRWLCLPMNXDB-UHFFFAOYSA-N 258.325 1.518 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ocnc1C1CC1 289459867 PXQCELXEGSSSAH-LLVKDONJSA-N 291.351 1.539 0 50 CDAA C[C@H](C(=O)N1CC[C@@H](CCC(=O)O)C1)n1cccn1 134416440 PISCJGBFWLLFCQ-GHMZBOCLSA-N 265.313 1.157 0 50 CDAA O=C(N[C@H]1CCOC1)N1CC(c2nc3ccccc3[nH]2)C1 426523269 XFBNXLOYQZMWOJ-NSHDSACASA-N 286.335 1.461 0 50 CDAA COc1ccnc(C(=O)N[C@@H](C)Cc2cccnc2)c1 220510663 CMXKBLVGLULDAR-NSHDSACASA-N 271.320 1.846 0 50 CDAA Cc1cccc([C@@H](NC(=O)c2cccn(C)c2=O)C2CC2)n1 426380647 PEIUIPLLDPRLLW-HNNXBMFYSA-N 297.358 1.970 0 50 CDAA c1cncc(CCCN=c2cc([C@H]3CCOC3)nc[nH]2)c1 426477657 XUWWSBBXLGSBHM-AWEZNQCLSA-N 284.363 1.842 0 50 CDAA C[C@H](CCC(=O)N(C)Cc1nccn1C)N1CCCC1 426428400 UISBMSVFTMVUCU-CYBMUJFWSA-N 278.400 1.643 0 50 CDAA CN(C)C[C@@H](O)c1cc2n(n1)CCCN(CC1CCC1)C2 222782536 SNISBODOUULBRR-MRXNPFEDSA-N 292.427 1.484 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCn3cccc3[C@H]2C)[nH]1 426633841 HQMWYDLOPDTSLX-LLVKDONJSA-N 271.320 1.702 0 50 CDAA N[C@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@@H]1C1CC1 91444781 ASAAEFHNFAPMKI-CABCVRRESA-N 285.391 1.854 0 50 CDAA CN(C)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 95507018 YYEHJKXNOQJYPZ-UHFFFAOYSA-N 257.293 1.319 0 50 CDAA O=c1c(C(F)(F)F)cccn1C[C@@H]1COCCO1 95388582 ZQJODXKQVGTXSI-MRVPVSSYSA-N 263.215 1.283 0 50 CDAA CN(C)c1ccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cn1 97634925 GJWAFUINUNYNNG-ZDUSSCGKSA-N 299.378 1.891 0 50 CDAA Cc1cc(-c2ccc(CS(C)(=O)=O)cn2)[nH]n1 97394470 RZJRZTYIGYXQDN-UHFFFAOYSA-N 251.311 1.325 0 50 CDAA CCOCC1(CNC(=O)c2ncoc2C)CCC1 97742600 IUQZOFREGGFAFV-UHFFFAOYSA-N 252.314 1.920 0 50 CDAA COCCC[C@]1(CO)CCCN(C(=O)C=C(C)C)C1 91305507 CZPOHBVQDIKKAN-OAHLLOKOSA-N 269.385 1.980 0 50 CDAA O=C(O)[C@H]1COCCN1C(=O)CC(C1CC1)C1CC1 299749605 KZAPLDULRGFUMA-GFCCVEGCSA-N 267.325 1.125 0 50 CDAA O=C(O)CN(C(=O)Cc1ccc2c(c1)OCCO2)C1CC1 299743172 JYLHDZADTATOMQ-UHFFFAOYSA-N 291.303 1.076 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 299740756 BPYKZKXZQJIQGH-CHWSQXEVSA-N 292.766 1.999 0 50 CDAA CCN(CCn1cc[nH]c1=O)C[C@@H]1CCCCO1 252505781 VTRSUKGIKFJZCT-LBPRGKRZSA-N 253.346 1.067 0 50 CDAA COc1c(C)cc(-c2nc(C(=O)O)nn2C)cc1C 534584119 QLKQTSQQKMZJBV-UHFFFAOYSA-N 261.281 1.806 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)[C@H]1CCCNCC1 534662379 AJALKFVLRVWYGG-ZDUSSCGKSA-N 298.390 1.978 0 50 CDAA Cc1nc2ccc(CC(=O)NCC[C@@H]3CCOC3)cc2[nH]1 534641415 JRFNGTIYPBVVIN-GFCCVEGCSA-N 287.363 1.957 0 50 CDAA CN1CCC[C@@H](C(=O)Nc2ncc(F)cc2F)C1 1940198474 YMPYCHRTAMMVIA-MRVPVSSYSA-N 255.268 1.640 0 50 CDAA Nc1ncc(CN2CCC(Cn3ccnc3)CC2)s1 827590624 MZELDEDXQATLPN-UHFFFAOYSA-N 277.397 1.834 0 50 CDAA Nc1nc2c(c(C(=O)NCc3cccs3)n1)CCCC2 827587370 LHFUJANTWIQFFY-UHFFFAOYSA-N 288.376 1.929 0 50 CDAA CCc1c(C)sc2nc(Cn3ccnn3)nc(O)c12 585137182 LISIQCHYBFJEDM-UHFFFAOYSA-N 275.337 1.908 0 50 CDAA CN1C(=O)CCC12CCN(C(=O)C[C@@H]1CCCOC1)CC2 670457952 KWBHZAZAACTFQI-ZDUSSCGKSA-N 294.395 1.417 0 50 CDAA CCCc1cnc(N2CC[C@H](N3CCN(C)CC3)C2)nc1 670446932 VPISEDIRDWXCLY-HNNXBMFYSA-N 289.427 1.255 0 50 CDAA CCOc1nc(N2CCC[C@H](C(=O)O)C2)ncc1Cl 864097063 MSWNYLCDMSIOLN-QMMMGPOBSA-N 285.731 1.830 0 50 CDAA Cc1oc(CN(C)C(=O)C[C@H]2CCCO2)cc1C(=O)O 268934995 NPRIHAOFCMZLBA-SNVBAGLBSA-N 281.308 1.814 0 50 CDAA Cc1nc(S(=O)(=O)N(C)CC2CCC2)ccc1C(=O)O 1875340202 QFCDRJFSMSGKNX-UHFFFAOYSA-N 298.364 1.509 0 50 CDAA CC(C)c1noc(C2(NC(=O)C3CC3)CCOCC2)n1 1875268200 KGVSHCVRCUZGEU-UHFFFAOYSA-N 279.340 1.725 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)C1 1875267904 IANUEQQKPALUST-CAEXGNQWSA-N 281.396 1.811 0 50 CDAA Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc(O)nn1C 1875293055 AVCWLDDWHNQHMD-LLVKDONJSA-N 287.319 1.606 0 50 CDAA CN(C)C/C=C/C(=O)NCc1cccc2nsnc12 1875376559 BBMMHYTZGKRTCR-QPJJXVBHSA-N 276.365 1.425 0 50 CDAA CN(C)C/C=C/C(=O)NCCc1cnc(-c2ccccc2)[nH]1 1875374546 VYVLCBRWUUBDLM-RMKNXTFCSA-N 298.390 1.853 0 50 CDAA C[C@@H]1CCc2[nH]nc(C(=O)NCC3[C@@H]4CC[C@@H]34)c2C1 1875300747 OYGNPXYRFFWTED-OPRDCNLKSA-N 259.353 1.920 0 50 CDAA COCc1cc(C2CN(C[C@H](O)c3ccccc3)C2)no1 886079212 BSAJBJKVHYXZLF-INIZCTEOSA-N 288.347 1.954 0 50 CDAA CC(C)c1cc(C(=O)N2CCC(=O)N3CCC[C@H]32)n(C)n1 888172080 DYIUCOZCMHCXOV-CYBMUJFWSA-N 290.367 1.338 0 50 CDAA Cc1nnc(CN(C)Cc2cnc3ccccc3n2)o1 244787877 QFMHIJVOQULNTA-UHFFFAOYSA-N 269.308 1.953 0 50 CDAA CC(C)[C@@H](CO)NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)CN2C1 1356498614 QJNIUTWWMZPPHH-YIYPIFLZSA-N 268.401 1.240 0 50 CDAA CC(C)(C)OC(=O)NCC[C@H](C(=O)O)c1cn[nH]c1 1775956711 WZIYOSRFYZODKN-VIFPVBQESA-N 269.301 1.493 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H]2[C@H]1C2(F)F 1535647214 DFZGHIUZOKPDEX-RNJXMRFFSA-N 277.267 1.962 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N[C@@]23CCC[C@@H]2NCC3)c1 1579823054 WSNFNGAAOOXBDQ-XJKSGUPXSA-N 299.378 1.141 0 50 CDAA C/C(=C\C(=O)N1CC[C@@H](N)C1)c1ccc(F)cc1F 585086615 DASIZENFAPFZDO-OALRPVAKSA-N 266.291 1.928 0 50 CDAA Cc1conc1C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 631834751 FDKYTTLXHOYCLL-CHWSQXEVSA-N 293.367 1.356 0 50 CDAA CC[C@H]1CN(C(=O)c2cnc(S)[nH]2)CCS1 170600274 PRNBOASWCQTERW-ZETCQYMHSA-N 257.384 1.666 0 50 CDAA Cc1nnc(CN2CCC[C@@H]2c2cnn(C)c2)n1C1CC1 171410887 DUDGBCXSKYSERZ-CQSZACIVSA-N 286.383 1.992 0 50 CDAA C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)CCN1 188384955 SQQMFQIRMRXRSS-LLVKDONJSA-N 262.328 1.678 0 50 CDAA O=c1n(C[C@@H](O)CC2CCCC2)nnn1-c1ccccc1 191286258 QFXPNMZBLALETE-AWEZNQCLSA-N 288.351 1.370 0 50 CDAA CC[C@H](COC)NS(=O)(=O)c1ccccc1C(=O)O 564725970 GUMSSPPBIQPDER-SECBINFHSA-N 287.337 1.088 0 50 CDAA Cn1nccc1[C@@H]1CCC[C@H](NC[C@@H]2CNCCCO2)C1 576626867 LSRFKQVEIWHLLC-ILXRZTDVSA-N 292.427 1.414 0 50 CDAA Cc1noc(=O)n1Cc1coc(-c2ccccc2)n1 1857528525 FYNUHBHQCHTKPN-UHFFFAOYSA-N 257.249 1.848 0 50 CDAA O=C(CC(F)(F)F)Nc1ccnn1C[C@H]1CCOC1 332610369 CXQZWOKMPJFGFH-MRVPVSSYSA-N 277.246 1.811 0 50 CDAA CC(C)c1ncc(C(=O)N[C@H]2CNCCC2(F)F)s1 335033568 RLVUTVPTHJQBPG-VIFPVBQESA-N 289.351 1.994 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1cc(O)ccc1F 1615553939 ZVYWWMJZAKSFAZ-ZETCQYMHSA-N 263.290 1.308 0 50 CDAA Cn1cc(N2C[C@H](NC(=O)OC(C)(C)C)CC2=O)cn1 1615586040 HOENWPPIYMVVGG-SECBINFHSA-N 280.328 1.050 0 50 CDAA Cc1ccc(-c2noc([C@@]3(C)CCNC3=O)n2)c(F)c1 1615553707 YJMNWBKSAURDMX-AWEZNQCLSA-N 275.283 1.962 0 50 CDAA COC(=O)N[C@H]1CC2(CCNCC2)Oc2ccccc21 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XNWALFAZJREFHM-UHFFFAOYSA-N 284.279 1.542 0 50 CDAA O=C(COc1ccc(F)c(Cl)c1)N1C[C@@H](O)[C@H](F)C1 952965257 DALTUHPFIXRWTR-GHMZBOCLSA-N 291.681 1.399 0 50 CDAA CC[C@@](NC(=O)CN(C)C)(C(=O)O)c1ccc(Cl)cc1 887557511 RIKAVUBWMPNJOV-AWEZNQCLSA-N 298.770 1.708 0 50 CDAA C=CC(=O)N1CCC(NC(=O)c2scnc2C)CC1 888093233 UXOLVBDMNHXPAX-UHFFFAOYSA-N 279.365 1.358 0 50 CDAA CN(C(=O)c1c(F)cc(F)cc1F)[C@H]1CCNC1 86996246 ISBPNCPRVZLQPV-QMMMGPOBSA-N 258.243 1.538 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)Cc1cccc(C)c1 1565515328 FTHACEZBGSVGJU-KBPBESRZSA-N 263.337 1.458 0 50 CDAA CC[C@H](NC(=O)C(C)(C)Cc1ccc(O)cc1)C(=O)O 1595232929 NGDVOVVNNFFPME-LBPRGKRZSA-N 279.336 1.940 0 50 CDAA CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 218006426 XBRVSWLNYZFLOZ-RKDXNWHRSA-N 259.302 1.343 0 50 CDAA C[C@@H](CO)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 300835425 LBROOBBWGSKGFO-RYUDHWBXSA-N 286.416 1.992 0 50 CDAA O=C(c1cc(-c2ccoc2)[nH]n1)N1CCO[C@@H](C2CC2)C1 548255850 FRUCQYYVLVRBIA-CQSZACIVSA-N 287.319 1.921 0 50 CDAA CCO[C@@H]1C[C@@H](NC(=O)c2nocc2C)C12CCOCC2 632517242 GCNHQDLYBWYCME-VXGBXAGGSA-N 294.351 1.687 0 50 CDAA O=C(c1ccncc1F)N1CCC(Cn2cncn2)CC1 275153186 XLSSHMFXXWMHAZ-UHFFFAOYSA-N 289.314 1.365 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1N[C@H]1CCSC1 275413404 DFTAVQUKGKAOIA-DCAQKATOSA-N 253.371 1.345 0 50 CDAA N#Cc1nccc(N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 398386610 XOBZSXAQCMIKFN-HALDLXJZSA-N 291.358 1.891 0 50 CDAA CC1([C@H]2CCCN(C(=O)c3ccon3)C2)OCCO1 170594274 BLXYCUAHJMBPEQ-JTQLQIEISA-N 266.297 1.290 0 50 CDAA COC(C)(C)CC(=O)Nc1ccc(N2CCCC2=O)cn1 279762628 FCNAXGMHRLJIMY-UHFFFAOYSA-N 291.351 1.962 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2cc(C)nn2C)C1(C)C 191703450 NCFQOSARFGQBLT-SWLSCSKDSA-N 295.383 1.024 0 50 CDAA O=C(CN1CCO[C@H](C2CCC2)C1)NCc1cccnc1 566960504 CMIHTXNITCTDSB-HNNXBMFYSA-N 289.379 1.199 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)NCc2cc(C)on2)C1 568599762 UXAUFSSKEUWLSF-JGZJWPJOSA-N 253.302 1.350 0 50 CDAA O=C(Nc1nccs1)N1CCc2nccnc2C1 664447716 FZYBEAZEOPQLJP-UHFFFAOYSA-N 261.310 1.523 0 50 CDAA Cc1cnc(C(C)(C)NC(=O)c2ccc3nc(O)[nH]c3c2)[nH]1 578779141 HSPIBIKAVNREGD-UHFFFAOYSA-N 299.334 1.965 0 50 CDAA CN=[S@@](C)(=O)c1cccc(NC(=O)C(F)F)c1 585091089 WPVPKBCPIJTBGK-KRWDZBQOSA-N 262.281 1.977 0 50 CDAA CC[C@@H]1CN(c2nc(O)c3cnn(C)c3n2)[C@H](CC)CO1 585090407 LDLKJWQBHLQUCQ-NXEZZACHSA-N 291.355 1.463 0 50 CDAA CN(C)[S@@](C)(=O)=NC(=O)CSc1cccc(O)c1 585119197 WNWFNOGDSPMWRG-SFHVURJKSA-N 288.394 1.585 0 50 CDAA O=C(Nc1cnnn1-c1ccccc1)N1CCSCC1 585119687 QBCRXXGBYPRPFN-UHFFFAOYSA-N 289.364 1.848 0 50 CDAA CC(C)c1noc(CN(C)Cc2nc3ncccn3n2)n1 1506431398 MDLDSQNHHMJRQK-UHFFFAOYSA-N 287.327 1.263 0 50 CDAA CCn1cc(CN2C[C@H](O)[C@H](Cc3ccncc3)C2)cn1 1529158415 CACSIGZBCRLFLJ-CVEARBPZSA-N 286.379 1.333 0 50 CDAA CCCO[C@H]1CCCN(c2nccnc2OC)C1 1529109557 FLWHYDUPXXZMAY-NSHDSACASA-N 251.330 1.881 0 50 CDAA O=C(C1Cc2ccccc2C1)N1CCc2nocc2C1 1857686598 CYSVHWLRVLRTBU-UHFFFAOYSA-N 268.316 1.974 0 50 CDAA C[C@]1(C(=O)NC2CCOCC2)CC12CCNCC2 1857704117 DXNYJBMXTWCGML-CYBMUJFWSA-N 252.358 1.061 0 50 CDAA O=C(Nc1cnc2sccn2c1=O)C1CCOCC1 1857722341 IOEVRLHZUIPADZ-UHFFFAOYSA-N 279.321 1.121 0 50 CDAA COc1ccnc(N[C@H]2COC[C@H]2Cc2ccncc2)n1 1704338289 QIFLREUJHVEGLM-OLZOCXBDSA-N 286.335 1.550 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)Cc1cccs1)C2 1704314568 UVPGMUBCTTTZPW-NEPJUHHUSA-N 280.393 1.080 0 50 CDAA O=C(OC[C@@H]1CC[C@@H]2O[C@@H]2C1)[C@@H]1CC[C@@H]2O[C@H]2C1 212640860 YXALYBMHAYZKAP-QXMWZZNTSA-N 252.310 1.665 0 50 CDAA in-vitro Cc1csc(CN2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)n1 521396518 OFCFQEUFFAIKOY-HBNTYKKESA-N 267.398 1.891 0 50 CDAA Cc1c(Cl)cccc1OCC(=O)N1CCC[C@H]1CN 262605075 BHNXFGMAXGBRHT-NSHDSACASA-N 282.771 1.977 0 50 CDAA c1ccc(CN2CCN(Cc3ccco3)CC2)nc1 20146134 MAPIRFMCOAQEHG-UHFFFAOYSA-N 257.337 1.992 0 50 CDAA CN(C)Cc1nnc(NCCCC[C@H]2CCCO2)o1 1772708959 DEVDOESLHMRNFL-NSHDSACASA-N 268.361 1.892 0 50 CDAA CCN(CC)CCNC1=NS(=O)(=O)c2ccccc21 5715233 ISTALQMYGCNRFB-UHFFFAOYSA-N 281.381 1.067 0 50 CDAA O=C(O)C[C@@H]1SC(Nc2ccccc2)=NC1=O 5557025 RSSOQQYOYNMIOZ-QMMMGPOBSA-N 250.279 1.571 0 50 CDAA Cc1ccc2nsnc2c1NC(=O)c1nc[nH]n1 5730674 IOQXAQAFWPRZKC-UHFFFAOYSA-N 260.282 1.370 0 50 CDAA c1cnc(N2CCN(CCCc3cccnc3)CC2)nc1 19112671 UZTLCHRJXYXTQH-UHFFFAOYSA-N 283.379 1.626 0 50 CDAA CCOC(=O)[C@@H](CO)NCCC(=O)c1ccc(Cl)cc1 19720552 IZYJKMUQAISXGP-GFCCVEGCSA-N 299.754 1.426 0 50 CDAA COCc1cn(C2CCN(c3ncccn3)CC2)nn1 19865518 JQWSMGBJZSREIH-UHFFFAOYSA-N 274.328 1.056 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3cccc(-c4cn[nH]c4)c3)C[C@H]2N1 1857678907 CQTHJECXYGACTA-GXTWGEPZSA-N 296.330 1.037 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1Cc1ccccc1-n1ccnc1 1857690126 AYQUCIHIJGZVNH-UKRRQHHQSA-N 282.347 1.335 0 50 CDAA CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CCC1=O 1433346 FGOJCPKOOGIRPA-JTQLQIEISA-N 285.340 1.766 0 50 CDAA in-vitro C[C@H](CNC(=O)C(C)(C)C(N)=O)Sc1ccccc1 225523358 ADDOPPKCBLOECO-SNVBAGLBSA-N 280.393 1.795 0 50 CDAA O=C(O)Cn1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)n1 123031283 CBLYNPOUWVHZDT-RKDXNWHRSA-N 263.297 1.342 0 50 CDAA CC[C@H](C(=O)N[C@H]1CCO[C@H]1C1CC1)N1CCCC1=O 333198125 WUUYAASZMMCGDH-SCRDCRAPSA-N 280.368 1.071 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1cccc2c1OCCO2 343825630 LYPFPFMGRSQLBM-UONOGXRCSA-N 293.363 1.694 0 50 CDAA C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@H]1CCCO1 133386499 ONVVRBYRXHZWFZ-AEGPPILISA-N 292.379 1.457 0 50 CDAA OC[C@H]1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1O 573132733 FWIIQVDNMNMNNX-UKRRQHHQSA-N 288.347 1.517 0 50 CDAA CC(C)(O)CN(C1CC1)[C@@H]1CCN(C2CCOCC2)C1=O 376434546 PBAOHMAKCZTAOR-CQSZACIVSA-N 296.411 1.002 0 50 CDAA CCc1nc(=N[C@@H](COC)C2CCOCC2)s[nH]1 585092858 QQDZXRFCPLOODW-JTQLQIEISA-N 271.386 1.376 0 50 CDAA c1ccc(CCN2CCC(N3CC[C@@H]4CNC[C@@H]43)CC2)cc1 385412256 ZJNVXKXWIQPANJ-MJGOQNOKSA-N 299.462 1.987 0 50 CDAA CO[C@@H](C(=O)Nc1cccc2c1CNC2)c1cnn(C)c1 1649058757 SMOFERACCDEJMH-CQSZACIVSA-N 286.335 1.350 0 50 CDAA c1csc(N2CCN(CCC3COC3)CC2)c1 1875271925 PFDONAUQDOXEEU-UHFFFAOYSA-N 252.383 1.907 0 50 CDAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)ccc1F 1704326326 UYLRPBHJSVWMKY-JSGCOSHPSA-N 292.354 1.537 0 50 CDAA O=c1c2cnn(C3CC3)c2ncn1Cc1cc(C2CC2)no1 919320171 CEUHGAZEPGOWEE-UHFFFAOYSA-N 297.318 1.842 0 50 CDAA Cn1ccc(C(=O)N2CCc3occc3[C@@H]2C(=O)O)c1 910205546 NXUAJNOOXRRQDL-GFCCVEGCSA-N 274.276 1.442 0 50 CDAA CC(C)Cc1ncc(NC(=O)[C@@H](C(=O)O)C(C)C)cn1 910708252 STJHRAMHCGUJPK-LBPRGKRZSA-N 279.340 1.970 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)CCCc2ccccn2)C1 827986302 XIJLYNUFBMYRDN-HNNXBMFYSA-N 276.336 1.728 0 50 CDAA O=C1OC[C@@H](COC(=O)c2cc3c([nH]2)CCCC3)O1 838362421 IUZDCAAAFACOOP-SECBINFHSA-N 265.265 1.586 0 50 CDAA CN(C)[C@@H]1CCN(CC(=O)NCc2cccs2)C1 252507803 WUCFOUFYKSZLIK-LLVKDONJSA-N 267.398 1.000 0 50 CDAA Cn1cncc1CNCCc1ccc2c(c1)CCO2 237930636 QGLCZVKWZKDSEX-UHFFFAOYSA-N 257.337 1.687 0 50 CDAA C[C@@H]1CC[C@H](C(=O)NCCc2cccc(C(=O)O)c2)O1 155491040 JYPRNMDHJKOIKZ-ZWNOBZJWSA-N 277.320 1.611 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(F)c(F)cc2F)C1 284869495 QGKHPOJZKZLRCP-JGVFFNPUSA-N 289.253 1.326 0 50 CDAA Cc1cccc(CCSc2nnc(CCN)n2C)n1 426510131 MQXWKBQKRRTTQE-UHFFFAOYSA-N 277.397 1.355 0 50 CDAA COc1cccc(CSc2nnc(CCN)n2C)c1 426651981 HVZDQVOLQHAMJK-UHFFFAOYSA-N 278.381 1.617 0 50 CDAA CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](O)CC1 332277399 FMBKFZWLTDPVOM-ZDUSSCGKSA-N 290.429 1.343 0 50 CDAA Cc1cccc([C@H](O)CNCc2snnc2C)c1 877091953 SFZAWUFLFGXGOX-GFCCVEGCSA-N 263.366 1.978 0 50 CDAA Cn1ccc2ccnc(C(=O)N3[C@H]4CC[C@@H]3C[C@H]4C(=O)O)c21 2325769448 DGSKKQONGSCUGY-UTUOFQBUSA-N 299.330 1.651 0 50 CDAA C[C@@H]1CCC[C@H]([C@@H](NCc2cn(C)nn2)C(=O)O)C1 2325792900 TVPKAFBNJCGDBF-JFGNBEQYSA-N 266.345 1.184 0 50 CDAA Cc1nnc(N2CC[C@@]3(CCCN(C)C3)[C@@H](C)C2)o1 2325805944 HBLHVECNLYOIDG-SMDDNHRTSA-N 264.373 1.936 0 50 CDAA C[C@H](NC1=NC[C@@H]2CC[C@@H](C)CN12)C(=O)N1CCCC1 2325864525 REJGRYDMWNEWHV-AGIUHOORSA-N 278.400 1.057 0 50 CDAA Cc1nc(CN(C)c2ccc3ncnc(O)c3n2)no1 2325865050 KTKCWUQETKEHRW-UHFFFAOYSA-N 272.268 1.058 0 50 CDAA CO[C@H]1CN(C(=O)Cc2cccc(N)c2)CC[C@@H]1C 230211797 HFPJDQPCMOWZHO-FZMZJTMJSA-N 262.353 1.695 0 50 CDAA COc1ccc(C(=S)N2CCOCC2)c(OC)c1 306792 IINGICSUWDIIGA-UHFFFAOYSA-N 267.350 1.712 0 50 CDAA O=C(Cn1nnc(-c2cccs2)n1)NCc1ccccc1 418286 JTYOIGGZXSQFNK-UHFFFAOYSA-N 299.359 1.718 0 50 CDAA c1cnc2c(-c3nc(N4CCOCC4)n[nH]3)cccc2c1 2356144684 IVDRDMKGQGLHOT-UHFFFAOYSA-N 281.319 1.857 0 50 CDAA c1cc2c(cc1CNCCCN1CCOCC1)OCO2 2885390 AXRYWNYJKRSQHP-UHFFFAOYSA-N 278.352 1.227 0 50 CDAA O=C(NCCO)C(O)(c1ccccc1)c1ccccc1 3156746 UOFPFUNJBGEMOQ-UHFFFAOYSA-N 271.316 1.031 0 50 CDAA S=C(Cc1ccc2c(c1)OCCO2)N1CCOCC1 3181843 FHKVEZBRIBUFHX-UHFFFAOYSA-N 279.361 1.660 0 50 CDAA CNCc1ccc(OCCN2CCOCC2)cc1 3880959 CFDWJPMGCABITD-UHFFFAOYSA-N 250.342 1.117 0 50 CDAA CCCN(CCO)Cc1ccc(NC(C)=O)cc1 4987619 UICODKAJXITPEN-UHFFFAOYSA-N 250.342 1.849 0 50 CDAA O=C(Cc1ccccc1)Nc1cccc2c1C(=O)NC2=O 6702053 AGWAYQYTIUDKEK-UHFFFAOYSA-N 280.283 1.751 0 50 CDAA Cc1nnc(NC(=O)[C@@H](C)NC(=O)c2cccs2)s1 23626266 SOGPMPBHOJVMJP-ZCFIWIBFSA-N 296.377 1.665 0 50 CDAA C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H]2CC[C@H]1C2 248278091 ZPTHLENTXVNUBQ-VLJOUNFMSA-N 285.409 1.362 0 50 CDAA Cc1nnsc1C(=O)NC[C@H]1CCCN(CC(C)C)C1 67772157 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329618423 DXXODWFITQUIAK-UHFFFAOYSA-N 264.285 1.321 0 50 CDAA COCc1nc(Cn2nnc(C3CC3)n2)cs1 329733219 JLYFAYPTZWXWAM-UHFFFAOYSA-N 251.315 1.202 0 50 CDAA CNC(=O)[C@H]1CCCCN1C(=O)CSc1ccncc1 33210175 SFSGEWDPAQPTOU-GFCCVEGCSA-N 293.392 1.301 0 50 CDAA COc1ccc2[nH]c(C(=O)N3CCOC[C@H](O)C3)cc2c1 77504200 LVWMGCSCOYBYBY-LLVKDONJSA-N 290.319 1.010 0 50 CDAA CCCc1nc([C@@H]2CN(Cc3n[nH]cc3C)CCO2)n[nH]1 365682766 VWLVLXZUWCREOC-LBPRGKRZSA-N 290.371 1.362 0 50 CDAA CCCc1cc(CN(C)Cc2cnc(N(C)C)nc2)[nH]n1 215383833 YJVWFXUBIARYAB-UHFFFAOYSA-N 288.399 1.850 0 50 CDAA CCCN1C[C@@H](C(=O)NC2CCCCC2)CC1=O 33359482 GRJASYMQPYCLFZ-NSHDSACASA-N 252.358 1.694 0 50 CDAA CCc1nnc(CN(C)C(=O)C(=O)c2ccccc2)o1 219939081 MFNYXDSNUWRJML-UHFFFAOYSA-N 273.292 1.473 0 50 CDAA CCc1ccc(CC(=O)N2CC[C@H](C(=O)O)C2)cc1 237155500 MBZCOLNLXSAHNB-ZDUSSCGKSA-N 261.321 1.725 0 50 CDAA CCCNc1ncc(CN(C)Cc2nnc(C)o2)cn1 216019244 DOTVGEJRBYKRAU-UHFFFAOYSA-N 276.344 1.622 0 50 CDAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CC[C@@H]1C(F)(F)F 606444439 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0 50 CDAA O=C(c1cc2ccccc2o1)N1CCN2C(=O)OC[C@H]2C1 366286865 BXNAZLPALFPEDJ-LLVKDONJSA-N 286.287 1.709 0 50 CDAA Cc1ccc(C)c2c(O)cc(CN(C)[C@@H](C)C(N)=O)nc12 299788052 RAOFPJROWAJWAM-NSHDSACASA-N 287.363 1.863 0 50 CDAA COc1ccc(C(=O)N[C@H](C)c2nncn2C)c(OC)c1 298490641 COTJNZPZBJOPBU-SECBINFHSA-N 290.323 1.323 0 50 CDAA CC(C)CNC(=O)[C@H](C)N(C)Cc1noc(C2CCC2)n1 299764583 JFYBGUMBDXWMOE-NSHDSACASA-N 294.399 1.930 0 50 CDAA CC(=O)c1[nH]c(C)c(C(=O)NCCCn2ccnc2)c1C 828133608 AEOHKSZMZGTAII-UHFFFAOYSA-N 288.351 1.851 0 50 CDAA CCn1nc(C)c([C@@H](C)NC(=O)c2cncc(=O)[nH]2)c1C 584890510 YABWYHXIYBHLMA-MRVPVSSYSA-N 289.339 1.094 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cccc(O)n1 584897020 UODUYJXXLVKBAZ-SSDOTTSWSA-N 260.297 1.618 0 50 CDAA Cc1cccc(-n2ncnc2CCCc2cn[nH]c2)n1 825230893 IADPJUSGCGWARP-UHFFFAOYSA-N 268.324 1.869 0 50 CDAA Cc1cccnc1C[C@@H](C)n1cnc2nccnc2c1=O 584889605 MQJKSUPJPNGWQC-LLVKDONJSA-N 281.319 1.694 0 50 CDAA O=C1C[C@@H](CNc2ncccc2-c2ncon2)CN1C1CC1 828248326 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1644758687 OROKODIPMCUQMG-UHFFFAOYSA-N 253.305 1.966 0 50 CDAA COc1cc(CN2CCN(C(C)C)CC2)cc(OC)c1O 19447997 UFTQHTJRASCFBU-UHFFFAOYSA-N 294.395 1.935 0 50 CDAA O=S(=O)(NCCCO)c1ccc(Cl)c(Cl)c1 19780807 NQEDQHDAJBYFBS-UHFFFAOYSA-N 284.164 1.654 0 50 CDAA Cn1ccn2ncc(C(=O)NCc3cccn4nccc34)c12 1857709726 NQWYSTPGFKETPD-UHFFFAOYSA-N 294.318 1.251 0 50 CDAA O=C(CC[C@H]1CCCO1)N1CCC[C@@H]1c1ccc(O)nn1 530074350 AJNNTVLOZVJNDU-DGCLKSJQSA-N 291.351 1.805 0 50 CDAA COc1nccnc1-c1ccc([C@H]2CNC(=O)C2)cc1 1875243702 TYTMHDXHAPEFCX-GFCCVEGCSA-N 269.304 1.756 0 50 CDAA C[C@H]1CN(C(=O)Nc2ccc3nn[nH]c3c2)C[C@@H](C)O1 822501902 ACPNYHCZMGVNBA-DTORHVGOSA-N 275.312 1.599 0 50 CDAA Cc1nn(C)c(=O)c(C(=O)N2CCC[C@H](C)[C@@H]2C)c1C 225411871 WDMMNHPIZDACHP-CABZTGNLSA-N 277.368 1.658 0 50 CDAA NC(=O)C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]n1 623182667 ACAZQEAYRHQQDY-JTQLQIEISA-N 276.340 1.157 0 50 CDAA CC(C)(C)CS(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 253430890 GDZDGKZZJKQLFZ-DGCLKSJQSA-N 291.413 1.290 0 50 CDAA COc1ccc(CCC(=O)N2CC[C@@H](N)C2)cc1F 257661034 DGSKKSJGTMUJCT-LLVKDONJSA-N 266.316 1.327 0 50 CDAA O=C(CN1CCO[C@@H](C2CC2)C1)NCc1ccccc1F 363940171 QVFOYJMUDDWOKJ-OAHLLOKOSA-N 292.354 1.553 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](N)C2)ccc1-n1cncn1 158605431 FJJCSSGVWIRZTD-CYBMUJFWSA-N 285.351 1.139 0 50 CDAA CNC(=O)CN1CCCC[C@@H](OCc2ccccc2)C1=O 818684550 BQLJNMXJTCDGKY-CQSZACIVSA-N 290.363 1.330 0 50 CDAA O=S(=O)(c1ccco1)N1CCC[C@@H]1c1ncccn1 907338172 ZTNWIJMPDJZNGS-SNVBAGLBSA-N 279.321 1.595 0 50 CDAA NCc1cccc(NC(=O)[C@H]2CCc3cncn3C2)c1 911650001 ZPAGVNBSAQTRHY-LBPRGKRZSA-N 270.336 1.543 0 50 CDAA CC1=C(C)C[C@@](C)(C(=O)NCc2nc(CO)n[nH]2)CC1 826960380 OEEAWHPLMMKTPM-AWEZNQCLSA-N 278.356 1.440 0 50 CDAA O=C(N[C@H](c1ncccn1)C1CC1)c1c[nH]nc1C1CC1 928580603 HHZSDEHZMGQSRJ-ZDUSSCGKSA-N 283.335 1.958 0 50 CDAA Cc1ccc(F)c(CNCCCN2CCOCC2)c1 116912016 IRZMKKQISPSQMW-UHFFFAOYSA-N 266.360 1.946 0 50 CDAA CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)OC)C1 252321485 APKCRDRIVYWYDH-VXGBXAGGSA-N 265.357 1.644 0 50 CDAA O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCN1CCCCC1 12343571 UOYGYBMQXLFZNQ-OLZOCXBDSA-N 282.384 1.480 0 50 CDAA CS[C@H](C)C(=O)N1CCCC[C@H]1CCC(=O)O 237415528 NEBAQVMAZNEUJA-ZJUUUORDSA-N 259.371 1.984 0 50 CDAA CS[C@@H](C)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237402990 WKFRFNLDEJDJKH-UWVGGRQHSA-N 259.371 1.841 0 50 CDAA Cc1cc(N2CCN(CCCF)CC2)nc(C)n1 130771081 HZQSHSOYGDSAET-UHFFFAOYSA-N 252.337 1.575 0 50 CDAA O=C(O)C[C@H]1CCCN(C(=O)c2ccncc2)CC1 257697373 NPVYDEPJNAUJKQ-NSHDSACASA-N 262.309 1.799 0 50 CDAA CCc1ccnc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1 181450790 ZQNWTWZNDJIOLJ-GXTWGEPZSA-N 262.353 1.925 0 50 CDAA COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)cc1 100059894 JNKBWPHUXVLIGM-BRXULGCHSA-N 285.299 1.528 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)c3ccc(Br)o3)C[C@@H]12 184990161 FXOWRZULMKWGHY-DJLDLDEBSA-N 299.168 1.851 0 50 CDAA CCOC(=O)c1nccn1CCCn1nc(C)cc1C 67846687 CCOQTMDBDDPQNW-UHFFFAOYSA-N 276.340 1.963 0 50 CDAA Cc1noc(C)c1C(=O)N1C[C@H](C)[C@@](C)(C(=O)O)C1 710221260 GKGXBBINZVBPNQ-CPFSXVBKSA-N 266.297 1.474 0 50 CDAA CN(Cc1cnccn1)Cc1cc(C(=O)O)cs1 711380622 SXCFCYVVJJIJIC-UHFFFAOYSA-N 263.322 1.868 0 50 CDAA Cc1ccc(-n2cc(CN3C[C@H](C)O[C@H](C)C3)nn2)nc1 899730297 JHVWUQFONZZZMT-BETUJISGSA-N 287.367 1.580 0 50 CDAA C[C@@H]1C[C@H](C[C@@H](C)C(=O)Nc2nncs2)C(=O)O1 9329361 HSNRFEFDFJEALN-PRJMDXOYSA-N 269.326 1.454 0 50 CDAA O=C(O)[C@@]12C[C@@H](Nc3ccc4nnc(C5CC5)n4n3)C[C@@H]1C2 910482062 ISABFRRWFYJOJE-FTGAXOIBSA-N 299.334 1.667 0 50 CDAA CC(C)Cn1ncnc1CN[C@@H]1CCCCC[C@@H]1C(N)=O 132847658 AUSWCJCFQXZSEK-QWHCGFSZSA-N 293.415 1.458 0 50 CDAA CCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O 91159 SHKWQJWNJXWUHZ-JTQLQIEISA-N 257.311 1.218 0 50 CDAA N[C@@H](Cc1cc(Cl)c(O)c(Cl)c1)C(=O)O 901726 MPHURJQUHZHALJ-ZETCQYMHSA-N 250.081 1.653 0 50 CDAA in-vitro CO[C@H]1CC[C@H](NC(=O)[C@H]2CCCCn3nnnc32)CC1 2356142063 BUYWSHMDEBMWCW-SRVKXCTJSA-N 293.371 1.014 0 50 CDAA Cc1c(-c2nnc3n2[C@@H](C)C(=O)N(C2CC2)C3)cnn1C 2356143089 UVRVGNIZLHTROQ-VIFPVBQESA-N 286.339 1.053 0 50 CDAA CSc1nc2n(n1)C(O)=C(Br)[C@H](C)N2 4831683 JIWJINSWCFNPLB-VKHMYHEASA-N 277.147 1.893 0 50 CDAA O=C(O)Cn1c(=O)n(Cc2ccccc2)c2ccccc21 6745385 PZJUFBBUPVLSNH-UHFFFAOYSA-N 282.299 1.936 0 50 CDAA COc1cc(NC(=O)[C@H]2CCCO2)cc(OC)c1 7969704 GLRFTAPWJCPHIE-GFCCVEGCSA-N 251.282 1.821 0 50 CDAA CCn1nncc1CN1CCN(C)Cc2ccccc21 418072800 YIETXFDPGYMATA-UHFFFAOYSA-N 271.368 1.750 0 50 CDAA CN(C)C(=O)CCc1ccc(NC(=O)CCC(=O)O)cc1 36565622 VBUDAJNPIGUGRA-UHFFFAOYSA-N 292.335 1.511 0 50 CDAA Cc1cnc(N(C)C[C@H]2CCCO2)nc1N(C)C 65372211 IILJIHLSKAEQFE-LLVKDONJSA-N 250.346 1.466 0 50 CDAA O=C(NCCc1cn2ccsc2n1)[C@H]1CCCCO1 20452254 SKJHTWJSQSESMP-LLVKDONJSA-N 279.365 1.624 0 50 CDAA CCOC(=O)c1cccnc1N[C@H]1CCC[C@@H]1C(=O)NC 358326535 WJWNAJJBKPYQDN-JQWIXIFHSA-N 291.351 1.585 0 50 CDAA Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cncnc1 354768643 NUBSGUOIPLIHGA-HXUWFJFHSA-N 289.360 1.916 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)NCC2(F)F 306145899 VBYINQVRVIOKMG-UHFFFAOYSA-N 262.300 1.995 0 50 CDAA CCCc1cnc(C)nc1N1C[C@@H]2CCN(C)[C@@H]2C1 77456559 OIPJLCXGSAAHOB-UONOGXRCSA-N 260.385 1.878 0 50 CDAA COC(=O)c1sccc1NC(=O)c1csnn1 1403373 UHGANFPHVQEFFY-UHFFFAOYSA-N 269.307 1.639 0 50 CDAA CC/C=C/CCN1CCS(=O)(=O)C[C@H]1c1cnn(C)c1 253417514 XLXMXZJANSMZMG-NNTXTVRGSA-N 297.424 1.548 0 50 CDAA O=C(NCCN1CCC(O)CC1)[C@H]1C[C@@H]1c1ccccc1 321136078 JWCFZGBPCSSEKU-CVEARBPZSA-N 288.391 1.363 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2ccc3nc(S)[nH]c3c2)CN1 121725251 PJGFMVIWHQBVHK-SSDOTTSWSA-N 290.348 1.316 0 50 CDAA Cc1c[nH]cc1C(=O)N1CCOC[C@H]1[C@@H]1CCCN1C 520566401 XXVQAFHFSGAGHJ-KBPBESRZSA-N 277.368 1.258 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 122616923 QSTPJHDAIZMCGQ-NSHDSACASA-N 262.309 1.239 0 50 CDAA O=C(c1ccc2c(c1)CCC2)N1CCO[C@H](c2ncon2)C1 363785205 YYEDWLRHWZNEMH-AWEZNQCLSA-N 299.330 1.772 0 50 CDAA O=C(Nc1ccn(CC(F)(F)F)n1)[C@H]1CCCOC1 154821460 ZNYVRODCPQBZCD-QMMMGPOBSA-N 277.246 1.811 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)C2(N)Cc3ccccc3C2)C1 156232711 YSDXAPCEIBRMJI-WFASDCNBSA-N 287.407 1.069 0 50 CDAA CCn1nccc1/C=C/C(=O)N(C)[C@H]1CCCCNC1=O 126824180 CSTMJTLVWMRPSY-GWJCSSMESA-N 290.367 1.043 0 50 CDAA COC[C@@H](NC(=O)c1ccnc(C)n1)c1ccc(C)o1 173706989 OCYBIRUDJPEUQK-GFCCVEGCSA-N 275.308 1.804 0 50 CDAA O=C(NCCc1cn2ccccc2n1)C1CCOCC1 78742064 UHHJGTDJUKHFSF-UHFFFAOYSA-N 273.336 1.420 0 50 CDAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H](C(=O)O)C1 262378283 CDQBGZJRNXMYCU-RWMBFGLXSA-N 299.367 1.284 0 50 CDAA Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@H]1CCCC[C@H]1N)C2 128929014 VXNZCFAFBPFMCS-FMKPAKJESA-N 288.391 1.993 0 50 CDAA CC(C)Oc1nccnc1N1CCC[C@H](CO)CC1 338840485 GENFHFSVYDUHQG-LBPRGKRZSA-N 265.357 1.863 0 50 CDAA O=C(O)C[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O 216627826 AKRHSDQRCAMZJQ-VIFPVBQESA-N 282.683 1.235 0 50 CDAA COC[C@H]1CN(C(=O)NCCc2ccco2)C[C@@H](C)O1 334059991 BSLFDPPUUNFXFW-DGCLKSJQSA-N 282.340 1.267 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(OCC2CC2)cc1 284574401 HYFYLDWOZGFDGL-HIFRSBDPSA-N 292.354 1.873 0 50 CDAA CCn1cncc1CN1CC[C@]2(CCCN(C)C2)C1 334924595 IQSSXAYAEDCBCG-HNNXBMFYSA-N 262.401 1.821 0 50 CDAA COCCc1noc([C@H](C)NC(=O)c2ccco2)n1 74123396 NSJSJBZKOMEFFQ-QMMMGPOBSA-N 265.269 1.343 0 50 CDAA CN(C(=O)CCc1nnc[nH]1)[C@@H]1CCc2ccccc2C1 175880579 NKIQFJAGNNLHKH-CQSZACIVSA-N 284.363 1.753 0 50 CDAA Cc1nc(-c2ccc(CNC(=O)[C@@H]3CCCO3)cc2)no1 220069722 QMABIRCHGRXDDE-ZDUSSCGKSA-N 287.319 1.840 0 50 CDAA O=C(C1CCC(Cn2cnnn2)CC1)N1CCCC1 44918380 MFPFGFZVIQMIMG-UHFFFAOYSA-N 263.345 1.102 0 50 CDAA CCn1c(CCNC(=O)c2cc(N)[nH]n2)nc2ccccc21 222899788 KMOGBRFODIEQHH-UHFFFAOYSA-N 298.350 1.334 0 50 CDAA CCN(CCCCO)c1cc([C@@H]2CCOC2)nc(C)n1 426602482 MDTCZQCZZDCWRO-CYBMUJFWSA-N 279.384 1.888 0 50 CDAA O=C(CCc1cnn(-c2ccccc2)c1)NC[C@H]1CCCN1 178725480 LQCSQFOBWPDXGM-OAHLLOKOSA-N 298.390 1.673 0 50 CDAA CCCn1nc(C)c(NC(=O)[C@@H]2CCOC2)c1C 1506427655 LXSQCYWTPXFXLS-LLVKDONJSA-N 251.330 1.885 0 50 CDAA C1CCN(CCCc2nc([C@@H]3CCOC3)no2)C1 96138063 GAJSZKZAFXJKGX-LLVKDONJSA-N 251.330 1.602 0 50 CDAA O=C(NC[C@]1(O)CCOC1)c1ccc2ccccc2c1O 179086995 LGQBTJMQPJKLQR-MRXNPFEDSA-N 287.315 1.427 0 50 CDAA CC1=C(C(=O)N2CCN(c3cnccn3)CC2)CCCO1 163002299 VNHCBXDCVMLSSC-UHFFFAOYSA-N 288.351 1.210 0 50 CDAA CN1CCCC[C@H]1CCn1ncn2cccc2c1=O 95355946 WZAPDBIBAFYJKG-LBPRGKRZSA-N 260.341 1.370 0 50 CDAA O=C(NC[C@@H](CO)Cc1cccs1)Nc1cnns1 96166883 HDVVVGMRXBFCMR-QMMMGPOBSA-N 298.393 1.572 0 50 CDAA Cc1cc(C)n(CCNC(=O)C[C@@H]2CCCOC2)n1 97301483 XYHJYSSIAOJOGV-ZDUSSCGKSA-N 265.357 1.433 0 50 CDAA CCn1c(C)cc(C(=O)N2CC[C@H](C(=O)O)C2)c1C 237203245 CHHAMVLQZJIEFN-NSHDSACASA-N 264.325 1.672 0 50 CDAA CN(C)C(=O)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95388228 OQOUFSCPRAMLCX-AWEZNQCLSA-N 290.363 1.652 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCNC(=O)C1 245969646 AACDJFWMRRJIBK-MROQNXINSA-N 264.369 1.692 0 50 CDAA N[C@H]1C[C@@H](c2cc(NCCN3CCCC3)ncn2)C1 244673539 HQWAZNZVUWLRDE-TXEJJXNPSA-N 261.373 1.189 0 50 CDAA Cc1[nH]c2ccccc2c1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 244719178 LYIREPSFLSVFBV-VIKVFOODSA-N 298.342 1.808 0 50 CDAA COC(=O)Cn1cc(CSc2cccc(O)c2)nn1 295400930 RUHXWEGTQJZIMC-UHFFFAOYSA-N 279.321 1.449 0 50 CDAA O=C(c1cnn2cccnc12)N1CC[C@H](O)CC12CCC2 622114062 IZYXJJMCQSIAGO-NSHDSACASA-N 286.335 1.249 0 50 CDAA Cc1nccn1CC(=O)N[C@@H](CC(C)C)c1ncnn1C 534587297 HUMSUTBIJXWMGG-LBPRGKRZSA-N 290.371 1.224 0 50 CDAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@@H]1C=CCN1 534646568 GTAOZGYHMCQWME-NSHDSACASA-N 290.754 1.703 0 50 CDAA COCCN(C)C(=O)c1cc(OC)cc(C(=O)O)c1 534644178 LCOLHRJHNSBRIX-UHFFFAOYSA-N 267.281 1.112 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccc(Cl)s1 534671561 LCVZIPGBYFNEQF-YUMQZZPRSA-N 275.757 1.935 0 50 CDAA CCN(C)C1(CNc2cccc(C(N)=O)n2)CCCC1 534645430 ONJYDHCPGMXZNE-UHFFFAOYSA-N 276.384 1.857 0 50 CDAA O=C(NCCc1ccncc1)N1CCC[C@@H](c2ncc[nH]2)C1 268667842 UDASQTYQQLRZHL-CQSZACIVSA-N 299.378 1.936 0 50 CDAA Cc1ccc(C(=O)N2Cc3nc(C)nc(O)c3C2)cn1 636284274 USKFOTBTTMMGFR-UHFFFAOYSA-N 270.292 1.350 0 50 CDAA CC[C@H](NC(=O)C(C)(C)COC)c1ncnn1CC 299775709 HBYBWKLPGVGICZ-JTQLQIEISA-N 268.361 1.538 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)CCc1nncn1C 299780770 BVYMCYWQEKXRDD-GFCCVEGCSA-N 287.367 1.199 0 50 CDAA Cc1nc(CN(C)C[C@@H]2CCCCN2C)n(C)c1C 584891858 WKCDJQUETCEADX-AWEZNQCLSA-N 264.417 1.953 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@@H](O)CC1 670455676 MDLAWAFTZAOVFZ-LLVKDONJSA-N 263.341 1.583 0 50 CDAA CN(C)c1nc(O)cc([C@@H]2CCN(c3cnccn3)C2)n1 864311930 COMWIRQXKFTJAW-SNVBAGLBSA-N 286.339 1.032 0 50 CDAA Clc1ccn2ncc(I)c2n1 64033541 OPASGSRWIMSJGT-UHFFFAOYSA-N 279.468 1.987 0 50 CDAA in-vitro Cc1nc([C@@H]2OCC[C@@H]2NC(=O)c2ccncc2C)n[nH]1 685943110 VZRYMHDVLXWCEP-NWDGAFQWSA-N 287.323 1.077 0 50 CDAA O=C(Cc1ccccc1F)Nc1c[nH]nc1[C@@H]1CCNC1 1549741887 BUJLETRUXHFDHO-LLVKDONJSA-N 288.326 1.807 0 50 CDAA Cc1cc(O)c(Cl)cc1C(=O)N1CCC[C@H]1C(N)=O 1875292835 USNIQLJXHSAKNC-JTQLQIEISA-N 282.727 1.444 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@]1(CO)CCc2ccccc21 1875377177 VBIXWOOJLNMLCR-JZLODUJNSA-N 288.391 1.097 0 50 CDAA Cc1ncc(CN(C)c2ncc(C)c(O)n2)s1 1875319759 QNNVNFQUFCALBK-UHFFFAOYSA-N 250.327 1.892 0 50 CDAA CCC[C@@H](NC(=O)c1ccccc1OCC)c1nn[nH]n1 1875324438 YWNHLHIRBBMCQB-LLVKDONJSA-N 289.339 1.870 0 50 CDAA CC(C)(C)c1nnc2n1C[C@H](C(=O)NC1CC1)CC2 1875326117 ATXMGSXOVYWJTG-SECBINFHSA-N 262.357 1.417 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCC1(C)CC1 1875314287 QFFZARVRJMMCBG-ZJUUUORDSA-N 277.368 1.972 0 50 CDAA N[C@H]1CCCCCC[C@@H]1C(=O)N1CCCc2n[nH]cc2C1 952893043 FFJWKDHXUFWAAD-KBPBESRZSA-N 290.411 1.982 0 50 CDAA C[C@@H](NCc1cccc(Cn2cccn2)c1)c1nncn1C 952860275 KQNCXJAHEGMGLS-CYBMUJFWSA-N 296.378 1.911 0 50 CDAA CCN(CCN1CCOCC1)C(=O)c1cc[nH]c1C 952964153 NUIGFSKFXTZJCE-UHFFFAOYSA-N 265.357 1.117 0 50 CDAA Cc1cc(C)n2ncc(CN[C@@H]3CC=CC[C@H]3C(N)=O)c2n1 952972715 UPPBLFVCWQBJSN-ZIAGYGMSSA-N 299.378 1.256 0 50 CDAA Cc1cnc(C(=O)NC2(c3ccccc3F)COC2)cn1 886637525 YVUMYVSOYMIEHW-UHFFFAOYSA-N 287.294 1.580 0 50 CDAA CC(C)=C(F)C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 1775958910 ZPFVTFOLDIPWOK-TUAOUCFPSA-N 271.332 1.638 0 50 CDAA COC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1nn[nH]n1 1775984879 FVUYYBMQNPNRNU-WOPDTQHZSA-N 293.371 1.220 0 50 CDAA Cc1cnn([C@]2(C(=O)O)CC[C@@H](c3ccnn3C)C2)c1 1776004053 MGCANVGIGSQCKH-BXUZGUMPSA-N 274.324 1.673 0 50 CDAA COC(=O)C(C)(C)NCc1cc(OC)c2c(c1)OCO2 134488357 NBVFLQZASLTQRC-UHFFFAOYSA-N 281.308 1.465 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)Cc1ccc(C)cc1 899952195 VVIOAVVXXWLTGA-UHFFFAOYSA-N 274.364 1.988 0 50 CDAA Cc1ccc(OC[C@H](O)CN2CCOCC2)cc1C 19607297 UZIVXTQGFKHZDO-CQSZACIVSA-N 265.353 1.375 0 50 CDAA C[C@@H]1CN(c2nc3ccccc3[nH]2)C[C@H]1N1CCOCC1 270554378 HFBHTQJUZQVQGY-IUODEOHRSA-N 286.379 1.720 0 50 CDAA O=C(N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)C1(O)CCC1 408208086 KLMWCRAWTIJIKZ-YNEHKIRRSA-N 267.369 1.444 0 50 CDAA COC(=O)/C=C/c1ccc(N2CCCC2)nc1OC 39961258 PSIKWHHQFIKLJX-SOFGYWHQSA-N 262.309 1.877 0 50 CDAA in-vitro C[C@H]1OCC[C@H]1NC(=O)NCc1nc2ccccc2n1C 270785127 IKLWMDJCXSKNHY-GHMZBOCLSA-N 288.351 1.550 0 50 CDAA Cc1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)c(C)n1 185446419 BNEPMAPZAQGBPA-OAHLLOKOSA-N 291.351 1.722 0 50 CDAA C[C@@H](O)[C@H]1CCN(C(=O)NCc2cccc(C(=O)O)c2)C1 167958030 AYUMWFJKPBCXTB-MFKMUULPSA-N 292.335 1.297 0 50 CDAA O=C(Nc1ccc(F)cn1)N1CC[C@@]2(CCOC2)C1 170599680 UGGGVXADFPIPGS-CYBMUJFWSA-N 265.288 1.865 0 50 CDAA Cn1ncnc1SCc1nc(O)cc(C(F)(F)F)n1 170594965 GMGDTVVHYXCQLY-UHFFFAOYSA-N 291.258 1.622 0 50 CDAA OC[C@H](CNc1nccc(C(F)(F)F)n1)[C@@H]1CCOC1 281075916 VBOPURSVWKHUSK-BDAKNGLRSA-N 291.273 1.552 0 50 CDAA Cc1coc(C)c1C(=O)N1CCC[C@](O)(c2cnn[nH]2)C1 583619049 ZPCTVEKDEXWXOE-CQSZACIVSA-N 290.323 1.138 0 50 CDAA NC(=O)c1cccc(CN2CCC(=O)CC23CCC3)c1 584359270 WRGYQRNRJYSADN-UHFFFAOYSA-N 272.348 1.873 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=N)s1 584893258 WIYYZLYUQLBSBD-BRPSZJMVSA-N 267.354 1.338 0 50 CDAA O=C1C[C@@H](CN2CCC(C(F)(F)F)CC2)CN1 585094218 RRGYYEAPTJSCTG-MRVPVSSYSA-N 250.264 1.397 0 50 CDAA COc1cc(C(=O)N[C@@H](CCO)c2cccs2)on1 764245335 QHZOBDUPNWKMSL-QMMMGPOBSA-N 282.321 1.598 0 50 CDAA CCn1nc(C(C)C)cc1C(=O)N1CC[C@@H](N)C1 91665564 QRKSTZRBOUOCOG-SNVBAGLBSA-N 250.346 1.200 0 50 CDAA Cc1nc(C(=O)Nc2nnc(CCN(C)C)s2)cs1 1506405727 WTAVKHDBRUEROL-UHFFFAOYSA-N 297.409 1.659 0 50 CDAA CNc1nc(NCCCn2ccnc2C)ncc1F 1529155083 NPXYXVQGFWVMGQ-UHFFFAOYSA-N 264.308 1.665 0 50 CDAA Cc1cc(C[C@@H]2CN(CCCn3cccn3)C[C@@H]2O)on1 1529100707 XATHTVZAYIFLOU-HIFRSBDPSA-N 290.367 1.105 0 50 CDAA Cc1cc(O)cc(=O)n1Cc1nc2ccc(F)cc2[nH]1 1547201115 WRDIDAFDEKOMJU-UHFFFAOYSA-N 273.267 1.926 0 50 CDAA C[C@@H]1OC2(CCN(C(=O)c3ccccc3)CC2)NC1=O 1615588753 DIKAUNLYWSLNCG-NSHDSACASA-N 274.320 1.154 0 50 CDAA N[C@H]1CC12CC(NC(=O)Cc1cccc(C(F)(F)F)n1)C2 1615548621 YIFOXDGADHFXAF-QUNCOHTASA-N 299.296 1.639 0 50 CDAA O=C(Cn1ncsc1=O)N1CCC[C@@H](C(F)(F)F)C1 135471980 HZGUWAFLGRYJJZ-SSDOTTSWSA-N 295.286 1.106 0 50 CDAA C[C@@H](OCC1CC1)C(=O)N1CCCC[C@@H]1C(=O)O 136509834 SDQDTELBJFIMTJ-MWLCHTKSSA-N 255.314 1.267 0 50 CDAA CCc1[nH]nc2c1CN(C[C@@H]1CCC(=O)N(C)C1)CC2 1775980710 IBEYNKNAUXQNPU-LLVKDONJSA-N 276.384 1.199 0 50 CDAA COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 12404678 ZGVMRDFSVCNNFW-MRVPVSSYSA-N 253.685 1.866 0 50 CDAA in-vitro CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCOCC1 13329676 XJFUOGAMTWACND-CYBMUJFWSA-N 267.300 1.842 0 50 CDAA Nc1nc(NCc2ccccc2)c(Br)c(=O)[nH]1 18212442 HAROREVNGYWCJG-UHFFFAOYSA-N 295.140 1.727 0 50 CDAA O=C(c1cccnc1)N1CCN(Cc2ccccn2)CC1 19842106 SNPDJDPFCGEZFH-UHFFFAOYSA-N 282.347 1.435 0 50 CDAA O=C(NCc1nc2ncccn2n1)N1CCC[C@H]1C(F)F 1646751874 ZGMXCBSHQWQBTF-QMMMGPOBSA-N 296.281 1.063 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccc(F)cc1F)C2 1875247014 IWWDMFUQBCWHQP-RISCZKNCSA-N 282.334 1.727 0 50 CDAA Cc1cc(Br)c2c(c1)C(=O)C(=O)N2C 2566656 KAGORGSQXLSCBW-UHFFFAOYSA-N 254.083 1.917 0 50 CDAA in-vitro O=C([C@H]1CC12CCCC2)N1CCOC[C@@H]1c1nc[nH]n1 328904099 IUUPKGWDDXKAIV-GHMZBOCLSA-N 276.340 1.285 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(N(C)C)ccn1 330521897 AFMAIBCWQNFOAV-QWHCGFSZSA-N 293.367 1.024 0 50 CDAA C[C@@H]1CCN(Cc2cccc3c2CCOC3)[C@H](C(N)=O)C1 639599812 VBVYYPWOOKGADI-WBMJQRKESA-N 288.391 1.845 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1 238086908 YSOWRNFGAIROFG-GXTWGEPZSA-N 289.331 1.624 0 50 CDAA Brc1ccccc1CN1CCNCC1 19349187 XVHSZKUVDNZYDF-UHFFFAOYSA-N 255.159 1.854 0 50 CDAA in-vitro O=C(O)CCN[C@H]1CCN(c2ccc(F)cc2)C1 259395011 RAZUEJIWJPZKES-NSHDSACASA-N 252.289 1.469 0 50 CDAA COC1(C(=O)NC[C@H](C)c2ccc(F)cc2)CCNCC1 262608331 HNEZZNUBOQDBNF-LBPRGKRZSA-N 294.370 1.814 0 50 CDAA Cc1nc(CNC(=O)NCc2sc(C)nc2C)no1 266559057 UAUBRGIBBITBND-UHFFFAOYSA-N 281.341 1.451 0 50 CDAA C[C@@H]1CC[C@H](O)CN1C(=O)c1ncc(F)cc1F 922417131 BTLRMNPGWTZKNC-APPZFPTMSA-N 256.252 1.345 0 50 CDAA C[C@@H]1CN(C(=O)Cn2cncn2)c2cc(F)c(F)cc2O1 906234339 AHWHRHIPSRWPLR-MRVPVSSYSA-N 294.261 1.370 0 50 CDAA O=C([C@@H]1CCCO1)N1CCc2nc[nH]c2C12CCC2 827972515 MFSWOULUGIPQSM-NSHDSACASA-N 261.325 1.353 0 50 CDAA O=C(Nc1cncc(F)c1)N[C@H]1CCN(CC(F)F)C1 931261370 VFHBWYVBVJIDJV-VIFPVBQESA-N 288.273 1.682 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](c1ncccc1C)C(C)C 859408193 LWOUZRCPCKCNHR-HNNXBMFYSA-N 289.379 1.848 0 50 CDAA O[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1 229106557 GWXUYWSBRAAXDS-ZIAGYGMSSA-N 283.343 1.160 0 50 CDAA C[C@H]1[C@@H](C)OCCN1C(=O)c1ccc(C(=O)O)cc1 237599700 RGWKZUOOXFBFDI-VHSXEESVSA-N 263.293 1.634 0 50 CDAA C[C@H](C(=O)O)N(C(=O)[C@H]1Cc2ccccc21)C1CC1 262193765 RIFKWZSSEDYBSB-RNCFNFMXSA-N 259.305 1.790 0 50 CDAA O=C(C1CCOCC1)N1CC[C@@H]2NCCC[C@@H]2C1 299759210 BWLKTHGTLGHSFF-OLZOCXBDSA-N 252.358 1.014 0 50 CDAA CCOC(=O)c1cnc(N2CCC(OC)CC2)s1 311101361 RYJOCTHSSUXUJA-UHFFFAOYSA-N 270.354 1.935 0 50 CDAA CC(C)n1nccc1C(=O)N1CC[C@H](C(=O)O)C1 663023406 VICIURRTNOMKNG-VIFPVBQESA-N 251.286 1.011 0 50 CDAA CC(C)CN(CC(=O)O)C(=O)c1cc(O)ccc1F 426373611 LSIMMEFUSRDOLC-UHFFFAOYSA-N 269.272 1.714 0 50 CDAA COc1ccc2c(c1)C[C@H](NCCn1cncn1)CC2 382035638 SXFAMCMREFOWAR-CQSZACIVSA-N 272.352 1.434 0 50 CDAA Nc1nc(C2CC2)nc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1 892951328 SJACIQZUAYBYCG-GHMZBOCLSA-N 275.356 1.194 0 50 CDAA COc1cccc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)c1 829361811 HKAUGXZOFDHKEI-SECBINFHSA-N 291.225 1.831 0 50 CDAA O=C(CCc1cc[nH]n1)N[C@@H](C(=O)O)[C@H]1CC=CCC1 2325788617 SKNASIJECXDRFI-GXFFZTMASA-N 277.324 1.268 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H](C)C1CCCCC1 859561162 BAQROLKTJADAQR-NSHDSACASA-N 252.358 1.716 0 50 CDAA CCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O 91146 UUHSDPJONQOMQQ-LLVKDONJSA-N 287.337 1.227 0 50 CDAA COc1ccc(OC)c(NC(=O)[C@@H]2CCCNC2=O)c1 317657 SRFJLFPOTVRMKY-SNVBAGLBSA-N 278.308 1.169 0 50 CDAA CN1C(=O)[C@@](O)([C@H]2COC(C)(C)CC2=O)c2ccccc21 341026 LUUDDMFQLMETMI-ZBEGNZNMSA-N 289.331 1.235 0 50 CDAA biogenic CC(=O)O[C@@](C)(CC[C@](C)(OC(C)=O)C(C)=O)C(C)=O 2884050 BBUIONJEQWHHHI-KBPBESRZSA-N 286.324 1.588 0 50 CDAA COc1cccc(OCCOCCN(C)CCO)c1 2981076 UEQMKSDUDWCCLN-UHFFFAOYSA-N 269.341 1.015 0 50 CDAA CN(CC(F)(F)F)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 115142713 YZQXKHFXTXXHSB-RNJXMRFFSA-N 280.246 1.538 0 50 CDAA Cc1ccc(NC(=O)CC(=O)N(C)Cc2cnccn2)cc1 55403424 MEYMZTUSKGDXOX-UHFFFAOYSA-N 298.346 1.772 0 50 CDAA COC(=O)c1c(O)c2ccc(Cl)cc2n(C)c1=O 100065974 CAAGLCIOAKTNOS-UHFFFAOYSA-N 267.668 1.684 0 50 CDAA CCCCN(Cc1ccsc1)C(=O)CCn1cnnn1 55042683 ZAOBQKLNBMQKHI-UHFFFAOYSA-N 293.396 1.954 0 50 CDAA CCCc1cc(C(=O)NCc2csc(N)n2)[nH]n1 20149192 XAYTWFMDXIIHPI-UHFFFAOYSA-N 265.342 1.331 0 50 CDAA O=C(c1cccc2cnccc12)N1CCC(O)(CO)CC1 67713694 ZEFVKBFSOFWORN-UHFFFAOYSA-N 286.331 1.194 0 50 CDAA CC(C)(C)OC(=O)N1CCC(N2CC[C@@H](N)C2)CC1 26896581 AXSZRIFILNLUSR-LLVKDONJSA-N 269.389 1.419 0 50 CDAA COc1ccnc(C(=O)N(C)Cc2cnccn2)c1 172156494 OOUKVVSBISBJOC-UHFFFAOYSA-N 258.281 1.152 0 50 CDAA CCOc1cc(N2CCC(c3nnc(O)o3)CC2)ncn1 357695264 XVLCAOVPWQICJF-UHFFFAOYSA-N 291.311 1.348 0 50 CDAA CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@H]1O2 252477499 PIXQMMANEMPAMB-APIJFGDWSA-N 280.412 1.933 0 50 CDAA NC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 155001121 FDUHBWCPSAGUPR-JTQLQIEISA-N 290.392 1.836 0 50 CDAA COc1ccc(C[C@@H](C)N2CCN(CCO)CC2)cc1 23283105 ZMAIFPQBFJMZHM-CQSZACIVSA-N 278.396 1.236 0 50 CDAA COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc(Cl)c1O 87610 QCPFZFRUKODSMQ-GMSGAONNSA-N 289.740 1.842 0 50 CDAA CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1 577507 QAVXROVDMNJQQH-UHFFFAOYSA-N 262.244 1.161 0 50 CDAA CCN1C[C@H](n2cnc3scc(C)c3c2=O)CC1=O 32603550 OCLIZJXEWRZQSQ-SECBINFHSA-N 277.349 1.560 0 50 CDAA C[C@H]1OCCN[C@@H]1c1nc(Cn2cnc3ccccc32)no1 424075976 KRIWKCAHRDUMNF-YGRLFVJLSA-N 299.334 1.517 0 50 CDAA Cc1ccc(CNC(=O)N(C)[C@H](C)CO)cc1F 305750903 YUUZXWAMZMTPQE-SNVBAGLBSA-N 254.305 1.656 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2NCc2ccc(CO)o2)cnn1C 328618966 FIPFLBQPOIHYOA-LSDHHAIUSA-N 291.351 1.434 0 50 CDAA Cn1cnn(CN2CCO[C@@H]3CCCC[C@H]32)c1=S 230118798 CMZMFFITBGDKCA-GHMZBOCLSA-N 268.386 1.552 0 50 CDAA Cc1noc(C)c1CN1CCO[C@@H](CN(C)CC2CC2)C1 328626619 FGSJGACHRQOTEV-HNNXBMFYSA-N 293.411 1.834 0 50 CDAA CCNS(=O)(=O)[C@@H]1CCN(Cc2ncc(C3CC3)o2)C1 362359623 OBONSLZDCXFGEE-LLVKDONJSA-N 299.396 1.066 0 50 CDAA NCCCCCCC(=O)N[C@@H]1CCCC[C@@H]1CO 231317039 STRKIGVDDQOXTM-CHWSQXEVSA-N 256.390 1.563 0 50 CDAA COc1ccc(CC(=O)N[C@H]2CCOC2)cc1OC 215851599 YUSULRKOSVMCQK-NSHDSACASA-N 265.309 1.151 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2nnc(C)o2)C1 329164170 GRJZSGVEPWGRKU-STQMWFEESA-N 280.372 1.063 0 50 CDAA Cc1cccc2nc(C(=O)NCc3ccon3)c(F)n12 215720785 WSNRJMJKKIOXCS-UHFFFAOYSA-N 274.255 1.700 0 50 CDAA O=C(O)CN(C(=O)Cc1ccc(F)cc1)C1CCOCC1 238099599 VQRRBIYDSWHYJK-UHFFFAOYSA-N 295.310 1.460 0 50 CDAA Cc1cc(C(=O)N(C)[C@@H](C)c2ccon2)nc(C)n1 215437677 XVFDCHNBVXTMFC-VIFPVBQESA-N 260.297 1.915 0 50 CDAA O=C(O)[C@@H]1CNc2cccc(Br)c2O1 211953670 DCEUMEFZTOBKER-ZETCQYMHSA-N 258.071 1.707 0 50 CDAA O=C(c1cnc2ccccc2c1)N1CCC[C@](O)(CO)C1 72142075 GMPNGFXEEWVNAZ-MRXNPFEDSA-N 286.331 1.194 0 50 CDAA NC(=O)C[C@@H]1CCN(C(=O)c2cccc3ncccc23)C1 377171556 JBVOYEHPLNGRFH-NSHDSACASA-N 283.331 1.572 0 50 CDAA Cc1cnc(C)c(NCCc2nc3ccccc3c(=O)[nH]2)n1 32509029 DRGFQBOAFCKEJR-UHFFFAOYSA-N 295.346 1.985 0 50 CDAA CC1(C)[C@H](NCC(=O)NC(C2CC2)C2CC2)[C@@H]2CCO[C@H]21 333027063 AWCRKVXZQRJONO-APHBMKBZSA-N 292.423 1.694 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)N2CCCC23CCN(C)CC3)C1 335862933 MZDJWSHZRVLBNJ-KBPBESRZSA-N 295.427 1.824 0 50 CDAA O=C1CC[C@H](CC(=O)NC[C@@H]2CC=CCC2)CN1 333490791 IXDWRZXGCFRAED-VXGBXAGGSA-N 250.342 1.375 0 50 CDAA COc1ccccc1OCCN(C)C(=O)[C@H]1CCC[C@@H]1N 237145504 SQMSKZAMQHYUOB-STQMWFEESA-N 292.379 1.660 0 50 CDAA O[C@H](CC1CCCC1)Cn1nnnc1C1CCOCC1 333869707 UEEGKJMRMBVEGH-CYBMUJFWSA-N 280.372 1.508 0 50 CDAA O=C1NCCN1C1CN(c2nc(C3CCCC3)ns2)C1 333894165 XWWCXEAGFMCJBZ-UHFFFAOYSA-N 293.396 1.410 0 50 CDAA O=C(/C=C/c1c(F)cccc1F)N1CCCNCC1 237761798 DMZVKHFEZUPKNQ-AATRIKPKSA-N 266.291 1.800 0 50 CDAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1O 240551533 GUKPQRWJATURJR-CYBMUJFWSA-N 290.363 1.761 0 50 CDAA CCCCCOCC(=O)NC1CCC(NC(C)=O)CC1 338188888 PNFLOSBECFXDJK-UHFFFAOYSA-N 284.400 1.757 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)nc(C)n1 223955902 UBBFNXKELYLIML-CQSZACIVSA-N 299.378 1.842 0 50 CDAA CC(C)C[C@H](NC(=O)c1ccc2c(c1)CCCO2)C(N)=O 426533741 FUSYGXLMUWGOHH-ZDUSSCGKSA-N 290.363 1.641 0 50 CDAA Cc1cccc2nc(C(=O)N3CC[C@@H](C(=O)O)C3)c(F)n12 426434158 UNNFWRGATAMIFQ-SECBINFHSA-N 291.282 1.329 0 50 CDAA COCc1cc(CNC(=O)[C@@H]2CCc3ccccc3C2)n[nH]1 222492273 QYYACZRPANNSSX-CQSZACIVSA-N 299.374 1.977 0 50 CDAA CCn1cnc(NC(=O)N[C@H]2CCOC(C)(C)C2)n1 48115545 VSMURVAWRLDLLO-VIFPVBQESA-N 267.333 1.377 0 50 CDAA Cc1nccc(C2CCN(C(=O)c3[nH]nnc3C)CC2)n1 426563028 FCXXYJOXOIQHLS-UHFFFAOYSA-N 286.339 1.231 0 50 CDAA CCC(CC)N1C[C@H](C(=O)NCc2cscn2)CC1=O 195305937 MFEBQURSEOFMKU-SNVBAGLBSA-N 295.408 1.796 0 50 CDAA Cc1ncnc(NC[C@@H]2CC(=O)N(C3CC3)C2)c1C 91997970 DMPARYSAAKSYRC-NSHDSACASA-N 260.341 1.516 0 50 CDAA O=C(O)[C@@H]1CN(C2CCOCC2)C[C@H]1c1ccncc1 92097360 YTZGZJFGUSMVCF-UONOGXRCSA-N 276.336 1.361 0 50 CDAA COC(=O)c1cc(Br)c(C)n(C)c1=O 336423151 GTKMDMQGZYYSHH-UHFFFAOYSA-N 260.087 1.243 0 50 CDAA COCCN1CCC[C@@H](c2nccn2CCOC)C1 91486374 SFTOKYKMXWQANN-CYBMUJFWSA-N 267.373 1.355 0 50 CDAA Cc1cccc(=O)n1CCC(=O)N1CC[C@](C)(O)[C@H](C)C1 91474021 ZZEVDPQRRMWGCB-WBMJQRKESA-N 292.379 1.166 0 50 CDAA c1ccc(-c2n[nH]c(CNc3ccncn3)n2)cc1 92022482 YZBQRKRVEWAQKV-UHFFFAOYSA-N 252.281 1.874 0 50 CDAA CCN1CC2(CCC1=O)CCN(Cc1nc(C)no1)CC2 91781401 GVPNSHNEYDIQJA-UHFFFAOYSA-N 292.383 1.603 0 50 CDAA CN(C)C(=O)[C@H]1CCCN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 248670977 STXLPEKZRUMZQA-IGQOVBAYSA-N 278.396 1.892 0 50 CDAA O=C1[C@H]2[C@H]3[C@@H]4[C@H]5[C@H]6C(=O)[C@H]4[C@@H]2[C@@H]2C[C@@H]4[C@@H]1[C@H]3[C@H]5[C@@H]4[C@H]62 247704954 CUIHIIZJTFROOO-BKYLHHGWSA-N 252.313 1.250 0 50 CDAA C[C@]12[C@H]3[C@H]4[C@H]5[C@H]1[C@H]2[C@H]([C@H]34)n1c(=O)n(-c2ccccc2)c(=O)n15 253596064 MTYAPRQAKIJVKQ-DKNJLXECSA-N 293.326 1.038 0 50 CDAA Cn1c(CNC(=O)c2ccco2)nnc1C1CCC1 184011283 CJOOUSLJHUDOFS-UHFFFAOYSA-N 260.297 1.606 0 50 CDAA CC(C)CC[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1C(=O)O 299752079 SRBYDXXALYPHOB-KWBADKCTSA-N 257.330 1.011 0 50 CDAA O=C(NCC1(c2ccccc2)CC1)[C@H]1C[C@H]1C(=O)O 299747331 CQYOGWLOAXXDAA-NWDGAFQWSA-N 259.305 1.555 0 50 CDAA CSCC1CCN(CCn2c(O)nc(C)cc2=O)CC1 253537027 UFZYDCQDGGXBQV-UHFFFAOYSA-N 297.424 1.332 0 50 CDAA CCS(=O)(=O)NC[C@H](C)NC1(c2ccc(C)cc2)CC1 534658231 INXYGEMOKYGDQN-ZDUSSCGKSA-N 296.436 1.902 0 50 CDAA [C-]#[N+][C@@H]1C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 207621628 BKIKQJPOJKHOPE-RKDXNWHRSA-N 254.286 1.457 0 50 CDAA Cc1nc(CCN(C)C(=O)c2c(C)noc2C)no1 553645309 LOYXFZKOLSUXIX-UHFFFAOYSA-N 264.285 1.298 0 50 CDAA Cc1ccccc1C1(NS(=O)(=O)N2CCCC2)CC1 645793675 HFSPWWQFBCUACR-UHFFFAOYSA-N 280.393 1.914 0 50 CDAA COC(=O)C[C@H](c1c(O)cc(C)n(C)c1=O)C(C)C 824134575 NZGSGKPHQMYEBK-JTQLQIEISA-N 267.325 1.702 0 50 CDAA biogenic C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)NC1=O 725255812 NBDOHMORQPXESJ-ZANVPECISA-N 254.330 1.522 0 50 CDAA CCCCCOCC(=O)NCCNc1ncccn1 585146006 TWLHVPILPIAYEJ-UHFFFAOYSA-N 266.345 1.212 0 50 CDAA COCCCn1cnnc1CN[C@H](C)CC(F)(F)F 584891745 CSVSLNOBQDBIDL-SECBINFHSA-N 280.294 1.745 0 50 CDAA NC(=O)C1(C(=O)NC2(CN3CCCC3)CCCCC2)CC1 584894134 OZJHSLNTNWMLNP-UHFFFAOYSA-N 293.411 1.167 0 50 CDAA Cc1nc(CCN(C)C(=O)c2cnc(C(C)C)nc2)no1 584894354 FQHWBXVDBWPIFT-UHFFFAOYSA-N 289.339 1.606 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCCc2noc(C3CC3)n2)n1 670442285 GCLSXJDESUOGEY-LLVKDONJSA-N 289.383 1.981 0 50 CDAA Cc1ccncc1C(=O)NC1(C(N)=O)CCCCCC1 670453839 FPDPKGDAOIJMOF-UHFFFAOYSA-N 275.352 1.698 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)CCCn2cnnn2)c1 670467107 XONPKWDZHHFEDA-UHFFFAOYSA-N 288.355 1.124 0 50 CDAA Cc1ncc(CN2CCN(c3ccncc3C)CC2)cn1 670469367 KTXXYUILYVPBAK-UHFFFAOYSA-N 283.379 1.811 0 50 CDAA COc1ccc(S(=O)(=O)n2cccn2)cc1C 11614081 NAJGLWXGMVNIMI-UHFFFAOYSA-N 252.295 1.437 0 50 CDAA COC(=O)[C@@H]1C[C@H]2C[C@H]1CN(c1ncnc3[nH]ccc13)C2 1875299372 IWHMJCGPOFLNFC-JFGNBEQYSA-N 286.335 1.593 0 50 CDAA Cc1c(NC(=O)c2ccnnc2)cnn1[C@@H]1CCOC1 1875268344 ZDUCJDVZUVPRHL-LLVKDONJSA-N 273.296 1.195 0 50 CDAA CCC(C)(C)NC(=O)C[C@H]1OB(O)c2ccccc21 1875368672 JUHBYASQIWTUCS-GFCCVEGCSA-N 261.130 1.140 0 50 CDAA COc1ncc(CNCc2ccc3c(c2)nc(C)n3C)cn1 952989432 QWYPXDDMQXHDGX-UHFFFAOYSA-N 297.362 1.970 0 50 CDAA C=CC(=O)Nc1cccc(C(=O)NC[C@H]2CCC[C@@H]2O)c1 866129718 JNGQCXPKRDEBNS-OCCSQVGLSA-N 288.347 1.702 0 50 CDAA C[C@H](CS(C)(=O)=O)N(C)c1nc2ccc(F)cc2o1 892488027 BIQRPTCAGPNLJF-MRVPVSSYSA-N 286.328 1.836 0 50 CDAA O=C([C@H]1CCCSC1)N1CCC[C@H](Cc2nn[nH]n2)C1 1774694099 YWIMUXIVRVMMLB-MNOVXSKESA-N 295.412 1.124 0 50 CDAA CC(=O)N1CCN(c2n[nH]c(-c3ccccc3)n2)CC1 1775986417 KSWFNTIQYAPKKP-UHFFFAOYSA-N 271.324 1.140 0 50 CDAA C[C@@H](N)[C@@H](C)C(=O)Nc1cccnc1-n1cccn1 134155952 CTYNKHPWASYVRM-NXEZZACHSA-N 259.313 1.189 0 50 CDAA Cn1cc(CNCCN2CCCC2)c(-c2ccncc2)n1 1473915451 YLWSIPSJGALNOQ-UHFFFAOYSA-N 285.395 1.668 0 50 CDAA C[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CCCNC2=O)C1 408055053 WIACNVDNLLUJMN-IJLUTSLNSA-N 252.358 1.598 0 50 CDAA COC(=O)C[C@H]1CN([C@@H](C)Cc2ccsc2)CCO1 221786491 PYVQOJTXODHXHL-AAEUAGOBSA-N 283.393 1.943 0 50 CDAA C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@H]1COCCN1 269233988 VSZOYSJBKGABOP-UXIGCNINSA-N 292.354 1.519 0 50 CDAA C[C@H](O)C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 270764953 NZPGEYSNZSJCCO-LBPRGKRZSA-N 296.798 1.755 0 50 CDAA CCc1ccc([C@@H]2CCCN2C(=O)C2=NNC(=O)C2)o1 735521523 GJXYKLSNHIRLDB-NSHDSACASA-N 275.308 1.381 0 50 CDAA CO[C@H]1CN(C(=O)CCc2ccncn2)CC[C@@H]1C 277622673 RDJWDMXXRCCVIK-AAEUAGOBSA-N 263.341 1.293 0 50 CDAA CCOC(=O)c1cnccc1N1CCC[C@@H](N(C)C)C1 170603427 GMTCSLKLXIOUCN-GFCCVEGCSA-N 277.368 1.789 0 50 CDAA CC[C@H](NC(=O)CCCc1c[nH]nn1)c1c(C)noc1C 170608087 GPYBFHKXICTLJT-LBPRGKRZSA-N 291.355 2.000 0 50 CDAA COc1cccc(CNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)c1 190361152 HPLSDEDZCURTPE-HZSPNIEDSA-N 276.336 1.814 0 50 CDAA CC(C)[C@@H](CNS(=O)(=O)N(C)C)Cc1ccccc1 191183211 OXPWUWRAAZHVON-CQSZACIVSA-N 284.425 1.897 0 50 CDAA C[C@H]1CN(c2nc(=N)[nH]c3c2CCCC3)CC(C)(C)O1 645138883 QDKJHVFCQVALND-JTQLQIEISA-N 276.384 1.772 0 50 CDAA CC(C)(C)n1cc(C(=O)NNc2ccc(F)cc2)nn1 191725118 JWHPUGHXGIWNTF-UHFFFAOYSA-N 277.303 1.929 0 50 CDAA C[C@H]1CN(c2nc3ccccc3o2)CCS(=O)(=O)C1 191959499 OZUZVHKZBLZDBP-JTQLQIEISA-N 280.349 1.699 0 50 CDAA CC[C@H]1[C@H](NC(=O)c2cc(=O)cc(C)o2)[C@H]2CCO[C@@H]12 1074567130 DCJWLTNMTFXZGP-XCCSTKFXSA-N 277.320 1.492 0 50 CDAA N[C@H]1CCCN(C(=O)COc2ccccc2Cl)C1 195107502 VLHSFHDUHIXTMC-JTQLQIEISA-N 268.744 1.669 0 50 CDAA O=C(CCc1cscn1)NCc1ccoc1C(=O)O 659198656 VYVJQUUELAKHEX-UHFFFAOYSA-N 280.305 1.683 0 50 CDAA O=C(CCc1cccnc1)N1CC[C@H](n2cccn2)C1 574806121 PUGLMBZZNGBADM-AWEZNQCLSA-N 270.336 1.684 0 50 CDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cn1 578828625 OMAIXTJMRLZGJC-NSHDSACASA-N 296.298 1.317 0 50 CDAA C[C@@H]1CCN(C(=O)CC[C@H](N)c2ccccc2)C[C@@H]1CN 579932245 ABNHRXCXWCBLES-KBMXLJTQSA-N 289.423 1.910 0 50 CDAA CCOC(=O)CN(C)C(=O)Cc1ccc(O)cc1C 1119616882 YCOLZBWHQDPTEO-UHFFFAOYSA-N 265.309 1.265 0 50 CDAA CCC[C@H]1COC[C@H]2CN(Cc3[nH]cnc3C)CCN12 1529154277 IYDOJBDOPWRVMF-UONOGXRCSA-N 278.400 1.403 0 50 CDAA Cc1nc(C2(NC[C@@H](O)C(F)(F)F)CCC2)no1 120274212 ACMAJXVXQPQVCU-SSDOTTSWSA-N 265.235 1.270 0 50 CDAA Cc1cc(S(=O)(=O)NCc2ncn(C)n2)cc(C)c1F 123788420 JHTHGUDGONVPFD-UHFFFAOYSA-N 298.343 1.050 0 50 CDAA CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1COCCN1 237098728 VJNGRUPTNAYLRI-GFCCVEGCSA-N 286.734 1.426 0 50 CDAA CCN(Cc1c(F)cccc1F)C[C@@](C)(O)C(=O)O 574332822 VSQMTGVQWQOINA-CYBMUJFWSA-N 273.279 1.622 0 50 CDAA CCN(CC)C(=O)C[C@H](C(F)F)N1CCOCC1 1615586293 METBLLNUQKWHFS-SNVBAGLBSA-N 264.316 1.211 0 50 CDAA CO[C@@](C)(C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1F 1615615377 OUVNQAVQLQDJHM-SWLSCSKDSA-N 295.310 1.763 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CCCc1ccccc1 1616068734 OHDBOCLBBAQLJB-GJZGRUSLSA-N 286.375 1.946 0 50 CDAA CCOC1CC2(C1)C[C@@H]2NC(=O)C(CC)(CC)C(=O)O 1616040684 SQVIBFXYJOLHDU-CVZZAPKMSA-N 283.368 1.951 0 50 CDAA CCn1nc(C(=O)NC2CC2)c2c1[C@H](C)O[C@H](C)C2 1857528328 SZHMJJFOZAAKBW-BDAKNGLRSA-N 263.341 1.817 0 50 CDAA CC(C)=CCC[C@@H](C)N1C[C@H]2[C@@H](C1)C2(CO)CO 1772812648 NHXITPXNDLRUFI-MCIONIFRSA-N 253.386 1.654 0 50 CDAA CCCn1ncc(CN2C[C@@H]3COCC[C@]3(CO)C2)c1C 1772708870 KQVLCDXLNAAGAI-HZPDHXFCSA-N 293.411 1.432 0 50 CDAA CC(=O)Nc1ccccc1-c1nnc(=S)[nH]c1O 5080503 QFZMBKAZUWMHND-UHFFFAOYSA-N 262.294 1.865 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)O 11757616 WUGNTIANQVMIOO-UHFFFAOYSA-N 299.348 1.568 0 50 CDAA Cc1cccc(NC(=O)CCN2CCN(C)CC2)c1 19235131 PBICKOCCTDLLGT-UHFFFAOYSA-N 261.369 1.571 0 50 CDAA COc1ccc2[nH]c3c(c2c1)CCN[C@]3(NC#N)SC 19819531 AALIVZUOTBJNAV-CQSZACIVSA-N 288.376 1.866 0 50 CDAA biogenic O=C(c1ccc2scnc2c1)N1C[C@@H](O)[C@H](F)C1 1857688014 PAGXMXPZHKUJFL-PSASIEDQSA-N 266.297 1.451 0 50 CDAA C[C@@H](NC(=O)c1cccc(N)n1)c1ccc(O)c(F)c1 1857692615 MLNOWIXAZUXMKE-MRVPVSSYSA-N 275.283 2.000 0 50 CDAA O=C(NCc1nccs1)N[C@H](CO)Cc1ccccc1 134039659 OEOIDFZNTLISNQ-LBPRGKRZSA-N 291.376 1.546 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)nc(C)n1 328614457 WDONYDCNDTXERC-TZMCWYRMSA-N 277.368 1.884 0 50 CDAA CCn1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)cn1 237230921 MJZWJETVIIDVPI-GFCCVEGCSA-N 279.340 1.763 0 50 CDAA CC1(C)CN(C(=O)CNC(=O)NC2CCCCC2)CCO1 127639278 MFRFQKLULYQUCR-UHFFFAOYSA-N 297.399 1.256 0 50 CDAA Cc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1 13789338 NZRIGRORBWHUCF-UHFFFAOYSA-N 296.392 1.605 0 50 CDAA O=C(O)[C@H]1CN(C(=O)[C@@H]2CCOC2)c2ccccc21 133876667 PJKYBXWICWPTCC-KOLCDFICSA-N 261.277 1.238 0 50 CDAA Cc1cnc(N2CC(C)(C)O[C@@]3(CCOC3)C2)nc1C 373683781 QEIONNXTEFEANY-HNNXBMFYSA-N 277.368 1.868 0 50 CDAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)Cc1ccon1 262551489 VAKIKBAYDBQHNW-CQSZACIVSA-N 286.287 1.428 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585088500 LZIVLDJQNCVZJL-WFGGJUAMSA-N 294.395 1.306 0 50 CDAA CC(C)CO[C@@H](C)C(=O)Nc1ccc2ncnn2c1 585087165 NRZFKECYGCSTGQ-JTQLQIEISA-N 262.313 1.729 0 50 CDAA CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)[C@H](C)CSC)C1 585130391 OTIWNFODYKRQFN-OUAUKWLOSA-N 291.388 1.735 0 50 CDAA O=C(Nc1cccnc1)N1CCC[C@@H](n2ccnn2)CC1 902990709 PSMKVCUMJYOPQW-CYBMUJFWSA-N 286.339 1.932 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)c(C)[nH]1 907942732 YEKWKPVUIFMUGZ-JULQROHOSA-N 276.336 1.861 0 50 CDAA Cn1ncc(CNC(=O)Cc2cccc(C(F)(F)F)n2)n1 935971570 RZNTZEWOWKVZFX-UHFFFAOYSA-N 299.256 1.088 0 50 CDAA C[C@@H](CC(=O)N1C[C@@H](C)OC[C@@H]1C)[C@@H]1CCCNC1 219847336 OJDVBUFDOCBURR-IGQOVBAYSA-N 268.401 1.648 0 50 CDAA CS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 571628 ZAHQFNPENKOCMC-UHFFFAOYSA-N 282.365 1.684 0 50 CDAA COc1ccc(CNC[C@@H]2CCCN2C)c(OC)c1 221164261 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N=C(Nc1ccc(F)cc1)Nc1nc2c(c(=O)[nH]1)CCC2 9486004 SZOJDHCZFLLZCQ-UHFFFAOYSA-N 287.298 1.856 0 50 CDAA COc1cc(C)cc(OC)c1-c1nc(-n2ccnc2)n[nH]1 2100544749 IDHLOUQJKIDNMY-UHFFFAOYSA-N 285.307 1.983 0 50 CDAA CN(C(=O)c1cn(C)c(=O)nc1O)[C@H]1C[C@@H]1c1ccccc1 2325744190 SILUTYURKZOORX-YPMHNXCESA-N 299.330 1.114 0 50 CDAA CN(Cc1cnc[nH]1)C(=O)c1ccc(F)c2c1CCNC2 2325778643 HVBQZENXULGEAI-UHFFFAOYSA-N 288.326 1.467 0 50 CDAA Cc1ncn(-c2ccc(NC(=O)[C@@](C)(O)CO)cc2)c1C 2325797125 OAXFMUZRHZJVTB-HNNXBMFYSA-N 289.335 1.171 0 50 CDAA CC1(C)C[C@@H](C(=O)N2CC(O)C2)CN1Cc1ccccc1 2325807635 IWYAIPXLEZIGPX-CQSZACIVSA-N 288.391 1.490 0 50 CDAA CC(=O)C[C@@]1(O)C(=O)Nc2ccc(Br)cc21 203168 JIEOWMKDHNNNHF-NSHDSACASA-N 284.109 1.568 0 50 CDAA C[C@@H]1CN(C(=O)C(Cl)(Cl)Cl)C[C@@H](C)O1 457145 WZNTZUNQQHXZTK-PHDIDXHHSA-N 260.548 1.992 0 50 CDAA COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 815514 HDOHFOFVXIDCQK-QWHCGFSZSA-N 290.363 1.499 0 50 CDAA Cc1ccc(S(=O)(=O)NCCCCCC(=O)O)cc1 1670400 GLKZGJGPYOFPKV-UHFFFAOYSA-N 285.365 1.918 0 50 CDAA O=C(O)CSc1nc2ccccc2n1CC(=O)O 2858985 LRJSCTOOLKMNHD-UHFFFAOYSA-N 266.278 1.298 0 50 CDAA COc1ccc(C(C)=O)cc1CSc1nnnn1C 3284948 REXDCVBERDDBAK-UHFFFAOYSA-N 278.337 1.714 0 50 CDAA C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 4339146 JHCCXXGJRNLEFE-GRYCIOLGSA-N 273.398 1.506 0 50 CDAA CC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766188 UCRWFHKVCYYIOX-JTQLQIEISA-N 296.392 1.537 0 50 CDAA CC(=O)NC(=S)NC1CCN(Cc2ccccc2)CC1 10451195 NLNJCAFGOJYWQU-UHFFFAOYSA-N 291.420 1.662 0 50 CDAA COCCNC(=O)[C@H](C)Oc1ccccc1OC 8049463 VSHXBKIZMBDOBJ-JTQLQIEISA-N 253.298 1.225 0 50 CDAA C[C@H]1CN(C(=O)c2ncccc2O)C(C)(C)CO1 134030417 UFJLEQIVIFBPOA-VIFPVBQESA-N 250.298 1.427 0 50 CDAA O[C@H]1CN(Cc2ccccc2)CCN(c2ncccn2)C1 108411064 JQDGJOYSSUPDEI-HNNXBMFYSA-N 284.363 1.160 0 50 CDAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N(Cc1ccccc1)CC(F)F 418676256 SPSNYWMWDALQKW-IMRBUKKESA-N 295.333 1.681 0 50 CDAA CC(C)[C@@H](Cn1ccnc1)NC(=O)CCN1CCCCO1 55074757 QPRIVOZMUMECMP-CQSZACIVSA-N 294.399 1.441 0 50 CDAA 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261.325 1.058 0 50 CDAA Cc1nc(CCN(C)C[C@@H]2COCCO2)cs1 244882576 XUKRSXCHMCAMBK-GFCCVEGCSA-N 256.371 1.341 0 50 CDAA CC[C@](C)(NCc1cnnn1C)c1nccs1 267529053 QYNQAXSPSJTVFF-NSHDSACASA-N 251.359 1.687 0 50 CDAA CC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CCN1CC(F)F 182909303 ULFHNPKEQAPIGZ-PWSUYJOCSA-N 277.359 1.158 0 50 CDAA CCC(CC)CNC(=O)N(C)CCc1noc(C)n1 344773098 ZVOKSHSJYOHDRW-UHFFFAOYSA-N 268.361 1.998 0 50 CDAA O=C(c1ccc(Cl)cn1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534676007 HNDPATIEAOCLHF-NIFPGPBJSA-N 277.755 1.557 0 50 CDAA CN(C)C1(CNC(=O)c2c[nH]c(=O)cn2)CCCCCC1 534581148 FTFMWGWOOZQENX-UHFFFAOYSA-N 292.383 1.154 0 50 CDAA CCc1nnc(CNC(=O)c2oc(CC)nc2C)o1 534587333 SMJLJJPWLXXCBF-UHFFFAOYSA-N 264.285 1.421 0 50 CDAA CN=c1ncc(C(=O)NCc2ccc3c(c2)C[C@H](C)O3)c[nH]1 534659085 UTHYZOMBSYMITI-JTQLQIEISA-N 298.346 1.194 0 50 CDAA CC(C)OCCCC(=O)N1CC[C@](O)(C2CC2)C1 373249382 HVWVQVJKLCGGIU-CQSZACIVSA-N 255.358 1.565 0 50 CDAA C=CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 1336701530 JJOGKKADPPKJSW-JTQLQIEISA-N 254.330 1.640 0 50 CDAA CCn1cc(C(=O)N2CC3(COc4ccccc4C3)C2)cn1 1940195345 NGLXQBIKYSQXQW-UHFFFAOYSA-N 297.358 1.980 0 50 CDAA CC1(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)CCOCC1 299780518 SLRTXYNDPWEOEI-UONOGXRCSA-N 292.383 1.240 0 50 CDAA CC(C)[C@H](NC(=O)c1cc(C(F)F)n[nH]1)c1ncnn1C 299791683 FAAGNWPKOXWDGC-VIFPVBQESA-N 298.297 1.603 0 50 CDAA Cc1cc(=O)oc2cc(O)c(-c3ccnc(N)n3)cc12 827591845 PFOWVTKBDHUBGE-UHFFFAOYSA-N 269.260 1.846 0 50 CDAA CC(C)(C)OC(=O)Nc1nccc(O)c1C(=O)O 584880199 JCSAPAPRHBSUSN-UHFFFAOYSA-N 254.242 1.832 0 50 CDAA C[C@H](CCn1cccn1)NCC(C)(C)N1CCN(C)CC1 679385413 DIYYCXZNVKXLLW-OAHLLOKOSA-N 293.459 1.277 0 50 CDAA FC(F)(F)c1cc(CN[C@H]2CCNC23CCC3)[nH]n1 863643641 QXNIHXIYQFXMFU-VIFPVBQESA-N 274.290 1.803 0 50 CDAA CC(=O)NC(C)(C)c1noc(-c2cccc3nn[nH]c23)n1 863951328 PRUFPAHDDXBWGU-UHFFFAOYSA-N 286.295 1.379 0 50 CDAA COCCN1CC[C@H](CN(C)Cc2cnc(N)s2)C1 670466649 VTRXNYZEMBHRGK-LLVKDONJSA-N 284.429 1.125 0 50 CDAA O=C(O)C[C@@H]1CCCCN1C(=O)c1cnn(C(F)F)c1 630158546 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Cc1nc2ccc(NC(=O)C3=NN4CCCN=C4N3)cc2o1 649285956 DHXLLWPUONBWCE-UHFFFAOYSA-N 298.306 1.053 0 50 CDAA CCC[C@@]1(COC)CCCN1Cc1nc(COC)no1 194922578 UWEZSAHEPNIPNT-AWEZNQCLSA-N 283.372 1.997 0 50 CDAA O=C(O)[C@@]1(C(=O)N2CCN3CCC[C@H]3C2)CC=CCC1 653303521 QNHFRRJWRLKIJU-WFASDCNBSA-N 278.352 1.104 0 50 CDAA CCN1CC[C@H]2CC[C@@H](C1)N2CCN1C[C@@H](C)O[C@H](C)C1 659991985 ABOWCBPTNVEXLG-VQHPVUNQSA-N 295.471 1.654 0 50 CDAA Cc1ccc(S(=O)(=O)NC2CC(CO)C2)c(F)c1 660146438 GDHRIQHTOJQJSI-UHFFFAOYSA-N 273.329 1.183 0 50 CDAA CCn1nccc1CNCc1c(C(F)(F)F)cnn1C 663349866 ULUJKFOJIFYNJR-UHFFFAOYSA-N 287.289 1.945 0 50 CDAA CCNCc1cn(CCCN2CCCCC2)nn1 695654917 MHPKZHSRVDTAET-UHFFFAOYSA-N 251.378 1.264 0 50 CDAA C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)N(CC(N)=O)[C@@H]1C 585116130 ICRCBPNGRCYHQT-UTUOFQBUSA-N 299.415 1.485 0 50 CDAA COC(CNC(=O)c1ccn(C)n1)(OC)c1ccccc1 585129008 ULHLAETVCJZPPS-UHFFFAOYSA-N 289.335 1.296 0 50 CDAA CC[C@H](C)n1ncc(NC(=S)NCC(=O)N(C)C)c1C 790352100 GOZFTRLKLKCILI-VIFPVBQESA-N 297.428 1.537 0 50 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O=C(NCc1[nH]nc2ncccc12)c1ccc(O)cc1F 1772816647 RAYIWAHUVSDWQX-UHFFFAOYSA-N 286.266 1.733 0 50 CDAA Cc1nsnc1C(=O)NCCc1scnc1C 1775977957 NZGLQEHEYSIKPO-UHFFFAOYSA-N 268.367 1.584 0 50 CDAA COC(=O)CNC(=O)N1CCc2c([nH]c3ccccc23)C1 12296611 CJYVYBMYNGFABX-UHFFFAOYSA-N 287.319 1.409 0 50 CDAA biogenic C[C@H](CN1CCOCC1)OC(=O)c1cccc(F)c1 19885410 WFUKUFGXOMHYBC-LLVKDONJSA-N 267.300 1.703 0 50 CDAA Cc1nn(C)c2c1[C@@H](NC(=O)c1cccn1C)CCC2 1857682866 UONICCHVZRPIRH-NSHDSACASA-N 272.352 1.874 0 50 CDAA CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cnc[nH]3)CC2)O1 1857700341 UJWXUXBOWDTVCA-NEPJUHHUSA-N 293.367 1.334 0 50 CDAA C[C@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCCn2nccc21 636377863 WXKACROLNHQEJW-FRRDWIJNSA-N 276.384 1.707 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)nn1C(C)C 335114227 PCRSZWYUOJYTOW-DZGCQCFKSA-N 290.411 1.939 0 50 CDAA O=C1C[C@H](c2ccc(-c3cc(CO)ccn3)cc2)CN1 1875241094 PCIQEAQUDACAEL-AWEZNQCLSA-N 268.316 1.844 0 50 CDAA C[C@@H](c1ccccc1)N1CCn2nc(C(=O)O)cc2C1=O 1875243654 QSGXCHCPHZEORN-JTQLQIEISA-N 285.303 1.798 0 50 CDAA CCc1cc(N[C@@H]2CCCC[C@H]2O)n2ncnc2n1 301169831 JQQCJHWRONZFKU-GHMZBOCLSA-N 261.329 1.402 0 50 CDAA O=C1CCCN1CCc1nc(-c2ccccc2)no1 225554795 MDBXDVBEHMAXBU-UHFFFAOYSA-N 257.293 1.902 0 50 CDAA O=C(NCc1ccccc1F)N[C@@H]1CCc2ncnn2C1 112712404 CQUKZIVYIQHQKO-LLVKDONJSA-N 289.314 1.231 0 50 CDAA CCn1ncc(Cl)c1C(=O)N(C[C@@H](C)C(=O)O)C1CC1 621536729 VHCGUJPRYSFPPS-MRVPVSSYSA-N 299.758 1.882 0 50 CDAA Cc1ccsc1CN1CCO[C@@H](c2nncn2C)C1 328637719 OSSLTKIYQOJQOO-LLVKDONJSA-N 278.381 1.759 0 50 CDAA C[C@H]1C[C@@H](C)C[C@H](NC(=O)NCc2ncnn2C)C1 245289862 FTPRLYZJFUZYBS-URLYPYJESA-N 265.361 1.439 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccncc1 344682314 GKSDMTPRGKDPQH-UONOGXRCSA-N 278.352 1.277 0 50 CDAA Cc1ccc(CN2CC[C@](C)(O)[C@H](O)C2)c2cccnc12 248108604 PUTIOPZGSODYRH-WBVHZDCISA-N 286.375 1.861 0 50 CDAA O=C(C[C@@H]1CCCCC(=O)N1)Nc1ncccc1O 369184519 QXKBGKDUEZBKRX-VIFPVBQESA-N 263.297 1.175 0 50 CDAA CC(C)[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)CCO1 369183618 MSRYIMOVEWARFY-HUBLWGQQSA-N 282.384 1.223 0 50 CDAA CNC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc(OC)c(F)c1 375059502 QNOFLVBMNSZXAL-RYUDHWBXSA-N 298.333 1.535 0 50 CDAA CN(C)CC(=O)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1 585124091 PUMLVGRODNZUKC-ZDUSSCGKSA-N 276.315 1.316 0 50 CDAA C[C@@H](COc1ccccc1)C(=O)N1CC2(CNC(=O)O2)C1 497241039 UZRIVJBREMTHOY-NSHDSACASA-N 290.319 1.022 0 50 CDAA Cc1ccc2oc(N3CCCN(C(N)=O)CC3)nc2c1 265103351 FPKOKXWYXMWKKD-UHFFFAOYSA-N 274.324 1.727 0 50 CDAA CCc1ncc(CNC(=O)[C@H]2CCc3nc(C)nn3C2)o1 821831131 RTBRHEVZYHYQTG-JTQLQIEISA-N 289.339 1.016 0 50 CDAA COC[C@@H](N)Cc1cn(Cc2coc(C(C)(C)C)n2)nn1 900593730 UORYLCYWFWYUMF-JTQLQIEISA-N 293.371 1.128 0 50 CDAA O=C(O)CNc1nn2cc(-c3ccccc3)nc2s1 819532901 UIDAUYRLCLHCCU-UHFFFAOYSA-N 274.305 1.954 0 50 CDAA COC(C)(C)CC(=O)N1CCc2occc2[C@H]1C(=O)O 910206099 QVWVJRITDNBOSK-LBPRGKRZSA-N 281.308 1.605 0 50 CDAA O=C([C@@H]1Cc2ccccc2O1)N1CC2CC1(c1ncc[nH]1)C2 912963915 CWQSVQCHLOZNSE-WKXXDYOBSA-N 295.342 1.861 0 50 CDAA C[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)Cc2c[nH]nc21 913581524 AZCRVKKTGVYYIS-MRVPVSSYSA-N 297.318 1.059 0 50 CDAA CNc1nc(C(=O)N2CCC[C@@H]2C2(O)CC2)cs1 1772812143 BVMAFTSIKFENLT-SECBINFHSA-N 267.354 1.314 0 50 CDAA CCn1cc(CC(=O)N2CC[C@H]2c2ccc(F)cc2)nn1 825079790 WRGJRASMXDASDG-AWEZNQCLSA-N 288.326 1.953 0 50 CDAA C=CC(=O)NCCNC(=O)c1ccc2c(c1)C[C@@H](C)O2 826952913 WUSDOQUUYIGWDY-SNVBAGLBSA-N 274.320 1.042 0 50 CDAA Cc1nn(CC(F)F)cc1C(=O)N(C)c1cn[nH]c1 933940898 KCQCBLWBAZNUTK-UHFFFAOYSA-N 269.255 1.456 0 50 CDAA CC(C)c1oncc1NC(=O)c1cnc2c(c1)nnn2C 1120691014 LIYIAMOSUUKQBO-UHFFFAOYSA-N 286.295 1.727 0 50 CDAA Cc1nc(C2CCN(CC[C@H]3COCCO3)CC2)no1 1775980802 AZJZBRGVDBNDLV-ZDUSSCGKSA-N 281.356 1.363 0 50 CDAA CCSCCC(=O)NCCc1nc(C(=O)O)cs1 218061093 NZBCRJJPDCDREC-UHFFFAOYSA-N 288.394 1.643 0 50 CDAA O=S(=O)(NC[C@H]1CCCO1)c1ccc(F)c(Cl)c1 463431 JNFTWDTXFGJVPB-MRVPVSSYSA-N 293.747 1.936 0 50 CDAA CC[C@]1(O)CCCN(C(=O)c2ccc(OC)cc2O)C1 223134522 VYQKGYUCICIOFO-HNNXBMFYSA-N 279.336 1.778 0 50 CDAA O=C1NCCCC[C@@H]1N[C@H]1CCc2ccccc2C1 4022737 IIXXQBNVBPXGSJ-GJZGRUSLSA-N 258.365 1.802 0 50 CDAA CN(C)S(=O)(=O)CCNCc1cccc2cccnc12 230992697 DOCDVINDUHZPPN-UHFFFAOYSA-N 293.392 1.216 0 50 CDAA COc1cc(OC)cc([C@@H]2CCN(CCC(=O)O)C2)c1 237222575 HKSILFJRVOFAIS-LLVKDONJSA-N 279.336 1.968 0 50 CDAA CCc1ccccc1S(=O)(=O)NC[C@H](C(=O)O)C(C)C 277286659 QKIRYAOFFNQCHZ-LBPRGKRZSA-N 299.392 1.884 0 50 CDAA OCCN1CCCN(c2ncc(C(F)(F)F)s2)CC1 195579844 AXBHIBZSCUARDY-UHFFFAOYSA-N 295.330 1.666 0 50 CDAA CCC1(O)CCN(C(=O)[C@@](C)(N)c2ccccc2)CC1 517243490 NKYBSWRUGLQHJU-HNNXBMFYSA-N 276.380 1.624 0 50 CDAA COCC1(C(=O)N[C@H](C(=O)O)C(C)(C)C)CCC1 426534538 WVRCVEPGTNEJCN-SECBINFHSA-N 257.330 1.419 0 50 CDAA CC(C)(C)NC(=O)N1CC[C@@]2(CCCNC2=O)C1 91586780 NJEQZYQJHFDPKE-ZDUSSCGKSA-N 253.346 1.097 0 50 CDAA CCOC1CC(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)C1 377003560 UEFDGTPIYBPGGG-HTAVTVPLSA-N 278.356 1.673 0 50 CDAA Cc1cc(O)nc(CCN[C@H]2CCCSC2)n1 584891591 QTQRVKKFZNGARX-JTQLQIEISA-N 253.371 1.518 0 50 CDAA CCNc1nc(Oc2ccc(O)nn2)nc(SC)n1 8653747 IPSOIEGXNNWMQK-UHFFFAOYSA-N 280.313 1.313 0 50 CDAA O=C(c1c[nH]c(=O)cn1)N1CCc2ccccc2CC1 2100478301 ZSSBOBLHLOMKPG-UHFFFAOYSA-N 269.304 1.011 0 50 CDAA Cc1ccc(C)c(CNC(=O)[C@@H]2CN(C)CC[C@H]2O)c1 2100556879 UKUMQLVCWIWPCK-HUUCEWRRSA-N 276.380 1.232 0 50 CDAA COc1ccc(CN[C@@H](CC(=O)O)CC(C)(C)C)nn1 2325789882 UAKRZNBIGXSENI-NSHDSACASA-N 281.356 1.854 0 50 CDAA Cc1sc(Cl)nc1C(=O)N[C@@H]1CCNC(=O)C1 2325802199 ORYBZSWYINSEER-ZCFIWIBFSA-N 273.745 1.113 0 50 CDAA C[C@H](CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 105996 NPUIQANQRDIHLU-SSDOTTSWSA-N 262.714 1.977 0 50 CDAA O=c1[nH]c(O)nnc1SCc1cccc(Cl)c1 138691 IVYYRCRUOZXYHP-UHFFFAOYSA-N 269.713 1.816 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)NC2CCCCC2)c1 271498 PULRHAMYNRDQIN-UHFFFAOYSA-N 283.349 1.996 0 50 CDAA Cn1c2ccccc2c2nnc(SCC(=O)O)nc21 368664 IAALDQFHCHESFM-UHFFFAOYSA-N 274.305 1.693 0 50 CDAA CC[C@H](C)C12CN(C(C)=O)CC(C)(CN(C(C)=O)C1)C2=O 616204 PUCZIRZSIHYZDI-SOISORPOSA-N 294.395 1.319 0 50 CDAA CC[C@@H](C)N1C(=O)C(=O)N(C2CCCCC2)C1=O 2495823 NKRWEHRJGRRCHY-SECBINFHSA-N 252.314 1.908 0 50 CDAA Cc1nc(NC(=O)c2cccnc2)sc1C(=O)N(C)C 2766845 RRNUSHBKIHDPFU-UHFFFAOYSA-N 290.348 1.801 0 50 CDAA C[C@@]1(C(=O)O)CN(Cc2ccccc2)C[C@@]1(C)C(=O)O 4203233 RHJZEEUTPSIPKN-GJZGRUSLSA-N 277.320 1.684 0 50 CDAA CCOc1ccc(S(=O)(=O)N(CC)CC(=O)O)cc1 6697830 UDQFRZMVNLRZGM-UHFFFAOYSA-N 287.337 1.181 0 50 CDAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccco1 6843452 NLOIYSXIGNVYER-LLVKDONJSA-N 264.281 1.813 0 50 CDAA Cc1csc(NC(=O)C2CCN(C(=O)N(C)C)CC2)n1 59759760 QXPFXJMMRRVIAD-UHFFFAOYSA-N 296.396 1.784 0 50 CDAA COCCC(=O)N(CCN(C)C)Cc1ccccc1C 55052625 YSTNEZOZYNEOEW-UHFFFAOYSA-N 278.396 1.922 0 50 CDAA COc1ccc(-n2c([C@@H](O)c3ccccc3)n[nH]c2=O)cc1 65393435 DDAQJYMPZXYTLR-AWEZNQCLSA-N 297.314 1.651 0 50 CDAA OCC1CCN([C@H]2CCCN(Cc3cccnc3)C2)CC1 20919713 DXFLTAOKRCOCQY-KRWDZBQOSA-N 289.423 1.750 0 50 CDAA Cc1ccnc(N2CCC(Cn3cc(CO)nn3)CC2)c1 20775762 XWKVHAYHFSJLIX-UHFFFAOYSA-N 287.367 1.390 0 50 CDAA Cc1ccc(C)c([C@H](C)NC(=O)CN2C(=O)CNC2=O)c1 67740623 FBMVEYZVSLFPHY-NSHDSACASA-N 289.335 1.032 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@@H]1OCC[C@@H]1c1ccccc1 349042501 JQWYLLYAMJGSTI-RRFJBIMHSA-N 275.348 1.854 0 50 CDAA CS(=O)(=O)CCC(=O)N1CCO[C@H](c2ccccc2)C1 62504891 IQYUSCIHOAMUOK-ZDUSSCGKSA-N 297.376 1.021 0 50 CDAA Cn1ncn(Cc2cc(-c3ccccc3)no2)c1=O 353200629 JSAKQXKLCUGCKM-UHFFFAOYSA-N 256.265 1.285 0 50 CDAA CC(=O)NC(C)(C)c1noc([C@@H]2CCO[C@@H]2C(C)C)n1 252508776 XTFFUYRWGRXDIA-GHMZBOCLSA-N 281.356 1.969 0 50 CDAA O=C(Nc1ccc2c(c1)OCCO2)N1CCOCC1 202550 SOBXSVJYSCXYCW-UHFFFAOYSA-N 264.281 1.322 0 50 CDAA CC(C)N(C)Cc1nc([C@H]2CN3CCCC[C@H]3CO2)no1 329741047 VTRFHMOVEHYFHG-QWHCGFSZSA-N 294.399 1.836 0 50 CDAA CCCCNC(=O)Cc1noc([C@H]2OCC[C@H]2C)n1 128705548 FRWASVNAIAOEQC-SKDRFNHKSA-N 267.329 1.626 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)c2cc3ccccn3c2)CCO1 124753503 OTOSZFVLPPCZQC-ZDUSSCGKSA-N 288.303 1.255 0 50 CDAA CC(C)NC(=O)c1cc(N[C@H](C(N)=O)C(C)C)ccn1 72154951 OEOPGACFRYELQD-LBPRGKRZSA-N 278.356 1.142 0 50 CDAA Cc1nn(C)c2ncc(CN3C[C@@H](F)C[C@H]3CO)cc12 331893500 XNWPVDPWQSOBNA-RYUDHWBXSA-N 278.331 1.181 0 50 CDAA C[C@](O)(C(=O)NCCc1cn2c(n1)CCCC2)C1CCC1 362537530 KGWFRBBDCZNISD-MRXNPFEDSA-N 291.395 1.429 0 50 CDAA CC(C)c1nc(N2CCC[C@H](N3CCCC3=O)C2)no1 71714483 MHZQAOPUSKZNAD-NSHDSACASA-N 278.356 1.784 0 50 CDAA CCOC1CN(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)C1 334064915 CRAOIAVBOIOASG-GXSJLCMTSA-N 264.329 1.319 0 50 CDAA COCCN1CC[C@H](Cc2cccc(C(=O)O)c2)C1 72143800 PCXZFOZMCIKOGM-CYBMUJFWSA-N 263.337 1.896 0 50 CDAA CCOC(=O)N1CCC(NC(=O)c2oc(C)nc2C)CC1 74675589 BPPQUIRLZSTBIH-UHFFFAOYSA-N 295.339 1.642 0 50 CDAA O=C(N[C@H]1CCn2ccnc2C1)c1cc(Cl)c[nH]1 335281180 PORDBHGMYWBREF-VIFPVBQESA-N 264.716 1.609 0 50 CDAA Cn1cc(-c2ccccc2CNc2nccc(CO)n2)cn1 341617551 RDVIHOVUZWRNOM-UHFFFAOYSA-N 295.346 1.982 0 50 CDAA CC1=C[C@H](C)CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 336552134 NXIYZOJQZNHSEI-JQWIXIFHSA-N 265.357 1.202 0 50 CDAA CN1C(=O)C[C@H](C(=O)NCCc2cnc[nH]2)c2ccccc21 215509428 YPISUOUVLWBPKY-ZDUSSCGKSA-N 298.346 1.219 0 50 CDAA CC1(C)CN(C(=O)Cc2cc[nH]n2)C[C@]2(CCCOC2)O1 373604818 SQTFVPXQFFRDNE-HNNXBMFYSA-N 293.367 1.139 0 50 CDAA O=C(Cc1cccnc1)N1CCC[C@H](c2ccncn2)C1 215910345 YFYKWOWPCUPGMB-AWEZNQCLSA-N 282.347 1.820 0 50 CDAA CN(Cc1cncn1C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 215527188 ZORNBSFAJPKDHT-LBPRGKRZSA-N 278.400 1.499 0 50 CDAA Cc1nc2ncnn2c(NCCc2csc(N)n2)c1C 241774064 RMTDHBPNFWZBHF-UHFFFAOYSA-N 289.368 1.434 0 50 CDAA C[C@@H](C(=O)N1CC[C@@H](CCC(=O)O)C1)n1cccn1 134416417 PISCJGBFWLLFCQ-WDEREUQCSA-N 265.313 1.157 0 50 CDAA CCO[C@@H](C)C(=O)Nc1ccc(CC(=O)O)c(F)c1 263112019 DNGUOKCJUZZMSA-QMMMGPOBSA-N 269.272 1.816 0 50 CDAA COc1cccc(C)c1C(=O)N(C)C[C@@H]1CC(=O)N(C)C1 220264059 XBEMKYYBAMYXDG-GFCCVEGCSA-N 290.363 1.554 0 50 CDAA CN(C)C(=O)c1ccc(N(C)Cc2nccs2)nc1 80619174 CTHJJQSXOWBJOY-UHFFFAOYSA-N 276.365 1.876 0 50 CDAA O=C(Cc1cnccn1)NCc1noc(-c2ccccc2)n1 220262134 HHVYVWSETWJEBH-UHFFFAOYSA-N 295.302 1.386 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)c2ccc(C)n(C)c2=O)[nH]1 426490486 OSMSEKGHCWETEA-SNVBAGLBSA-N 274.324 1.216 0 50 CDAA Cc1nc(C)c(C(=O)N2CCC[C@@]2(C)C(=O)O)[nH]1 426647359 TXZGMQUZJANQJB-LBPRGKRZSA-N 251.286 1.106 0 50 CDAA CC(C)[C@H](CCO)NC(=O)[C@H]1C[C@]1(C)Br 528812225 HAGMIOXQCMMHNI-YWVKMMECSA-N 278.190 1.683 0 50 CDAA CCOCCNC(=O)c1ccc(-c2cnc(N)cn2)cc1 426387008 CMTCKKPOMPGEBL-UHFFFAOYSA-N 286.335 1.492 0 50 CDAA CC(C)(C)c1cnc(CCC(=O)N2CCOCCN2)o1 615497086 GTWKDLFFWCGZLQ-UHFFFAOYSA-N 281.356 1.268 0 50 CDAA O=C(O)[C@H](c1ccc2c(c1)OCCO2)N1CCSCC1 95360304 WLNSDFWPPVNTKN-ZDUSSCGKSA-N 295.360 1.632 0 50 CDAA CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)O 196109998 FHBCSPANXVQYCP-RKDXNWHRSA-N 288.344 1.125 0 50 CDAA CC(C)c1nccn1[C@@H](C)C(=O)NCCC(=O)O 95507682 YAZGPVAWSQBLST-VIFPVBQESA-N 253.302 1.158 0 50 CDAA C[C@H]1CCCN(C(=O)COc2ccc(F)cc2F)[C@H]1CN 237697330 BQUMUSLRANPFIL-GWCFXTLKSA-N 298.333 1.929 0 50 CDAA CC(C)[C@H](C(=O)N(C)C)n1nc(-c2cccs2)oc1=O 179728027 IYQRETVOGRWHNM-SNVBAGLBSA-N 295.364 1.850 0 50 CDAA CCC[C@@]1(CO)CCCN(CCc2cnn(C)c2)C1 91876871 YTZIYOMUBGYWTM-OAHLLOKOSA-N 265.401 1.837 0 50 CDAA O[C@H]1C[C@@H](c2cc(NCCNc3cccnc3)ncn2)C1 244763784 OVODSNBOVWSQKN-BJHJDKERSA-N 285.351 1.634 0 50 CDAA CN(Cc1nccs1)c1cc([C@H]2C[C@@H](O)C2)nc(N)n1 244723981 MLGAYFPYEDLFFW-DTORHVGOSA-N 291.380 1.390 0 50 CDAA CC[C@@H](C(=O)O)N(c1ccccc1F)S(C)(=O)=O 252537812 MKKWSQPLXPOCBV-VIFPVBQESA-N 275.301 1.455 0 50 CDAA COc1ccc(CC2(N)CCS(=O)(=O)CC2)cc1 255189239 OPSGYCVGNTUWPX-UHFFFAOYSA-N 269.366 1.144 0 50 CDAA Cc1ccccc1CS(=O)(=O)N[C@@H]1CCCOCC1 183377426 MGLLGJSCFDOIHJ-CQSZACIVSA-N 283.393 1.984 0 50 CDAA CCCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C(=O)O 299749803 LPLPXBQMEMPNMV-QWRGUYRKSA-N 256.346 1.182 0 50 CDAA O=C(c1ccc[nH]1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 299744806 PZEXZDLLOJRFJB-LBPRGKRZSA-N 285.351 1.788 0 50 CDAA CN(CCC[C@@H]1CCCO1)CC(=O)Nc1ccn(C)n1 252494894 OHOIZBDHGWEJCS-GFCCVEGCSA-N 280.372 1.250 0 50 CDAA CNc1ncccc1C(=O)N[C@@H](c1nccn1C)C(C)C 534580414 SFRUYZJRWSIEHM-GFCCVEGCSA-N 287.367 1.984 0 50 CDAA C[C@H](CN1CCCCC1)C(=O)NCCc1ncc[nH]1 534636204 OMSRGHUTQYTWKS-GFCCVEGCSA-N 264.373 1.190 0 50 CDAA COc1cc(C)cc(OC)c1-c1cnn(CC(N)=O)c1 534672313 JANWLZCSCJOHOQ-UHFFFAOYSA-N 275.308 1.361 0 50 CDAA CC(C)(C(=O)NCc1cccnc1N)n1cccc1 534669601 NKKFSEVKCCDHGW-UHFFFAOYSA-N 258.325 1.517 0 50 CDAA CCN1CCCC[C@@H]1CN=c1nc(OC)cc(OC)[nH]1 574474770 XWGZYQHEOCQHGA-LLVKDONJSA-N 280.372 1.202 0 50 CDAA OCCn1ncnc1[C@H]1CCOc2ccccc2C1 828778575 ZXDYPMPJXUULSO-LBPRGKRZSA-N 259.309 1.379 0 50 CDAA C[C@@H](Cn1cncn1)c1n[nH]c(Cc2cccs2)n1 822182796 YEGFFLVNFOEODJ-VIFPVBQESA-N 274.353 1.852 0 50 CDAA Cc1[nH]nc2c1CN(C(=O)C1(Cn3ccnc3)CC1)CC2 584886703 BVAAYYCQVRUNLN-UHFFFAOYSA-N 285.351 1.280 0 50 CDAA CCN1CC[C@H](CNS(=O)(=O)CC2CCCC2)C1 823104901 QSZFXRPUKBGOJU-CYBMUJFWSA-N 274.430 1.438 0 50 CDAA O=C(c1nc2ncccc2[nH]1)N1CCC[C@H](c2nc[nH]n2)C1 584895641 NKDJCUMSWQZJOU-VIFPVBQESA-N 297.322 1.096 0 50 CDAA Cc1cc(CN[C@H](C)CN2CCOCC2)cnc1C 584902719 WLIAATHYJSMVHK-CYBMUJFWSA-N 263.385 1.509 0 50 CDAA CN1C(=O)CCC12CCN([C@@H]1CCSC1)CC2 670462995 WJYZWFJQQAELNQ-LLVKDONJSA-N 254.399 1.579 0 50 CDAA CN1CCC[C@H]1CCn1cnc2cccnc2c1=O 584900150 USWKLKAWXBJFLV-NSHDSACASA-N 258.325 1.276 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)NCC2=CCCC2)N1C1CC1 630663830 DLNDRUGIDGJRRG-OLZOCXBDSA-N 278.352 1.293 0 50 CDAA COCCNCCOCCOc1ccccc1F 2981178 DLMOBXZANZIWPO-UHFFFAOYSA-N 257.305 1.457 0 50 CDAA CO[C@@]1(C)C[C@@H](N(C)C(=O)c2conc2CN)C1(C)C 1548548890 YJWIQKWEFSOJMI-RISCZKNCSA-N 281.356 1.409 0 50 CDAA COC(=O)/C=C/CNC(=O)c1coc2c1C(=O)CCC2 1875272928 ITZMUNADENKZIX-ZZXKWVIFSA-N 277.276 1.258 0 50 CDAA COC(=O)[C@H]1Cc2n[nH]cc2N(C(=O)c2ccccc2)C1 1875295857 SOWFGNPCDLDWQN-NSHDSACASA-N 285.303 1.402 0 50 CDAA OC[C@H](O)[C@H](c1ccccc1)N1CCOCC2(CCC2)C1 1875275036 QTBVTTFWJYHPNK-HOTGVXAUSA-N 291.391 1.583 0 50 CDAA OC1(CCN=c2[nH]c(Cl)nc3[nH]ccc23)CCOCC1 1875286796 GNLFMKDVLVFBGO-UHFFFAOYSA-N 296.758 1.377 0 50 CDAA C[C@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@@H](C)[S@@]1=O 1875262678 AEAVOWTXZIQTRC-DLUMRTOESA-N 296.392 1.217 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc[n+]([O-])c1 952876876 HFABSLHYILARHO-JSGCOSHPSA-N 293.367 1.893 0 50 CDAA CC1(C)CC[C@@H](C(=O)NS(C)(=O)=O)c2ccccc21 1875390406 KRVPVIRXWOMIRD-LLVKDONJSA-N 281.377 1.917 0 50 CDAA CCN(CC)C(=O)N1CCC([C@@H]2C[C@@H](N)CCO2)CC1 1875340104 LOGASSOXKLTGGM-KBPBESRZSA-N 283.416 1.667 0 50 CDAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N 72187474 ORRVKLSXTZZGJV-UWVGGRQHSA-N 272.345 1.134 0 50 CDAA in-vitro COCC1(NC(=O)C2=C(C)OCCO2)CCCC1 952972944 HMWXYPQGXGJHRU-UHFFFAOYSA-N 255.314 1.340 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 887873835 QAZTZENWBNVZFX-OEUWWYETSA-N 288.391 1.692 0 50 CDAA Cc1c(C(F)(F)F)n[nH]c1C(=O)NC1CC2(C1)C[C@H]2N 1775960845 BJXYJGDYTMTFMB-UXEXPGAESA-N 288.273 1.347 0 50 CDAA Cn1c(C(C)(C)NC(=O)c2cn[nH]c2)nc2ccccc21 186397898 LXUOBCZJLIQLPC-UHFFFAOYSA-N 283.335 1.962 0 50 CDAA Cn1cnnc1-c1ccc(NC(=O)[C@@H]2CC[C@H](N)C2)cc1 91542866 HQUAMRVPQNKLDB-NEPJUHHUSA-N 285.351 1.548 0 50 CDAA Cc1c[nH]cc1C(=O)NCc1ncc(Cl)n1C 408512815 NTCUSGBVUTWVOR-UHFFFAOYSA-N 252.705 1.640 0 50 CDAA C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCCO1 222286615 WZUBIPCYLBHRCY-GUBZILKMSA-N 280.290 1.307 0 50 CDAA CC(C)CN1CC(=O)N(C2CCC3(CC2)OCCO3)C1=O 170592465 LTXAADWJNYVYAO-UHFFFAOYSA-N 296.367 1.592 0 50 CDAA CC(C)c1nnc2n1C[C@H](NC(=O)C1C[C@H]3C[C@@H]3C1)CC2 667791238 HAUDYIXCSAMZPR-NQBHXWOUSA-N 288.395 1.879 0 50 CDAA Cc1nn(C)c(C)c1CC(=O)Nc1cccc2nn[nH]c12 640380706 XAUXMHGIEPXPIF-UHFFFAOYSA-N 284.323 1.489 0 50 CDAA Cc1c[nH]nc1C(=O)N1CCOC[C@@H]1Cc1ccccc1 669609038 ISGOANNKASWEAJ-AWEZNQCLSA-N 285.347 1.802 0 50 CDAA O=C(O)c1ccc(C(=O)N[C@H]2CCCOCC2)cc1 192970780 CGLGVNGEVIVESX-LBPRGKRZSA-N 263.293 1.684 0 50 CDAA CN(C)[C@@H]1C[C@H](NC(=O)c2cccn2C)C12CCC2 585131560 ZJAMOXIKXNHAAF-QWHCGFSZSA-N 261.369 1.628 0 50 CDAA CC1(C)CN(C(=O)[C@@H]2CCCCC(=O)N2)CCS1 194284483 YCJNKBBFULEKKV-JTQLQIEISA-N 270.398 1.399 0 50 CDAA Cc1cnn(Cc2ccn(-c3ccccc3)n2)c(=O)c1 195432179 BTCRHNBGJMRHAR-UHFFFAOYSA-N 266.304 1.786 0 50 CDAA CCNc1nccnc1N1CC[C@H](Oc2ccccn2)C1 663721327 VJVKLZXHYLHTMI-LBPRGKRZSA-N 285.351 1.961 0 50 CDAA CN(Cc1ccccc1)C(=O)CCN1C[C@@H](O)[C@H](F)C1 1506408915 YLZNCFSIYLLDLU-ZIAGYGMSSA-N 280.343 1.050 0 50 CDAA Cc1ccn2c(NC(=O)CSC(C)C)nnc2n1 1529172878 SAVJKAREEHCMHV-UHFFFAOYSA-N 265.342 1.513 0 50 CDAA COc1nc(NCCCn2ccnc2)ncc1F 1704312978 CYPRJPDXRUTQQU-UHFFFAOYSA-N 251.265 1.323 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1nc(CC)c(C)s1 858648822 JJIGDHGTVFEIFT-UHFFFAOYSA-N 267.354 1.597 0 50 CDAA CCn1cc(C(=O)N2CC[C@H](N)C2)c(C(C)C)n1 237232988 BLQRSRPVYOAHOR-JTQLQIEISA-N 250.346 1.200 0 50 CDAA CNCC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 237207506 LIGSAFKUJKEOGL-KOLCDFICSA-N 254.355 1.256 0 50 CDAA O=C(O)CCNC(=O)[C@H]1SCCc2ccccc21 238178412 MEKLLVTZJCGDRZ-LBPRGKRZSA-N 265.334 1.608 0 50 CDAA Cc1cccc(N2CCN(C[C@@]34CN[C@@H](CO3)C4)CC2)c1 1616039503 PBLVWKQDHAQLGS-NVXWUHKLSA-N 287.407 1.248 0 50 CDAA CNCc1nnc(N(C)CCOc2ccc(C)cc2C)o1 1772703551 MLBQVFUXUOVQPM-UHFFFAOYSA-N 290.367 1.921 0 50 CDAA O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H]1C1(O)CC1 1772815068 IDPSPAJBSNVMPF-AWEZNQCLSA-N 298.346 1.397 0 50 CDAA Cc1cc(CC(=O)NCCCn2ccnc2)cc(C)n1 1775982646 BYMGCEKJZMWWPL-UHFFFAOYSA-N 272.352 1.644 0 50 CDAA Cc1nc(-c2cc(C)n(C(C)C)n2)n(CC(=O)O)n1 1857668425 WWIVISZBJSMKJW-UHFFFAOYSA-N 263.301 1.424 0 50 CDAA COC(=O)[C@@H]1C(=O)c2ccccc2CC[C@H]2COC(=O)[C@H]12 5248391 IBJPSMRMSTWFON-DRZSPHRISA-N 288.299 1.394 0 50 CDAA CC(C)CN(C)C[C@]1(O)CCCN(CC(C)(C)C)C1=O 12466925 RXKFTIUOCAVAGH-MRXNPFEDSA-N 284.444 1.974 0 50 CDAA CNC(=O)c1nn(C)c2c1C[C@@H](N1CCCCCC1)CC2 14536374 JWRTYJKEMBENOZ-LBPRGKRZSA-N 290.411 1.513 0 50 CDAA O=C(NCCNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1 19227690 DSPFIFQFRWZITA-CYBMUJFWSA-N 294.326 1.241 0 50 CDAA COCCN1C[C@@H](c2nc(-c3cccs3)no2)CC1=O 19229372 KHVQUUCUCBSBNK-VIFPVBQESA-N 293.348 1.760 0 50 CDAA COc1cccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)c1 19565739 ZPRZNLRFGCOVAB-AWEZNQCLSA-N 288.347 1.813 0 50 CDAA Cc1ccc2ncnc(N3CCC[C@]4(CCNC4)C3)c2n1 1857672233 DFHDGNNLWMYFKC-MRXNPFEDSA-N 283.379 1.913 0 50 CDAA O=C(NCc1nc2ncccc2o1)c1cnc2cccnn12 1857679283 RTOKDGDIFCTLAT-UHFFFAOYSA-N 294.274 1.196 0 50 CDAA Cc1ccc(-c2nn(CCC(N)=O)c(=O)cc2C)cc1 572001802 UXNHPMJFPRHMBO-UHFFFAOYSA-N 271.320 1.403 0 50 CDAA COC(CNc1ncc(Br)cn1)OC 1495473 PVJJQCGQWHXHNS-UHFFFAOYSA-N 262.107 1.270 0 50 CDAA in-vitro Cc1ccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)nn1 412368966 XABVAKIHDWEIJP-GFCCVEGCSA-N 287.294 1.658 0 50 CDAA Cc1ccc(C(=O)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 4505079 MRNZVYHGDBSCOD-AWEZNQCLSA-N 281.377 1.644 0 50 CDAA CC[C@@H](COC)N[C@H]1CCCN(c2nccnc2O)C1 328635069 NDIJZEPUUMOFSZ-RYUDHWBXSA-N 280.372 1.166 0 50 CDAA CCc1ccccc1CN1CCC[C@@](O)(CC(N)=O)C1 643806707 HPEUHWKKGQMCOI-MRXNPFEDSA-N 276.380 1.451 0 50 CDAA NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]3CCC[C@@H]32)C1 246915636 YOMYSWVJZVHCLU-AGIUHOORSA-N 279.384 1.568 0 50 CDAA CN1C[C@@H]2[C@@H](CCCN2Cc2c[nH]nc2C(C)(C)C)C1=O 375262204 PLBDDNSARCZLTG-CHWSQXEVSA-N 290.411 1.760 0 50 CDAA CC(C)[C@@H](CN[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1 904217911 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[O-][n+]1c2c(nc3c1-c1ccccc1[C@@H]3O)CCCC2 1406015 VITKMXPVZUWSEJ-HNNXBMFYSA-N 254.289 1.656 0 50 CDAA N[C@@H](CC(=O)O)Cc1ccc(Br)cc1 2385809 DAUFDZAPQZNOGC-SECBINFHSA-N 258.115 1.794 0 50 CDAA CCOCCc1nnc(NC(=O)[C@H]2CCCO2)s1 2876977 FHGCKHIDNSMYDE-MRVPVSSYSA-N 271.342 1.235 0 50 CDAA COC(=O)c1ccc(C(=O)OC)c(-n2cccc2C=O)c1 4237682 MCMXNCDNDLUHNS-UHFFFAOYSA-N 287.271 1.863 0 50 CDAA O=C(NC[C@@H]1CCCO1)NC(=O)c1ccc(Cl)cc1 4251553 ATKAZEOUSDLJTE-NSHDSACASA-N 282.727 1.958 0 50 CDAA Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)o1 4750190 DRLUCXVBNXSHQR-UHFFFAOYSA-N 271.320 1.945 0 50 CDAA COc1cccc(CNC2CCCCC2)c1OCC(N)=O 6743127 YLRMWEVGAVFBJA-UHFFFAOYSA-N 292.379 1.982 0 50 CDAA CCn1nc(C)cc1C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 225470456 NXXFGMLZQHPCAQ-VXGBXAGGSA-N 290.367 1.095 0 50 CDAA CC[C@H]1COCCN1C(=O)c1cnn(-c2ccncc2)c1 519684657 BTAKIOQDFFVFKL-ZDUSSCGKSA-N 286.335 1.518 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccnc1 100306199 MEGKOTWHALFPHX-XPXLGCRWSA-N 258.277 1.543 0 50 CDAA 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RTFPVXDGZZOXSR-OLZOCXBDSA-N 252.358 1.110 0 50 CDAA CN(C)c1nc2c(c(NCCc3ncc[nH]3)n1)CCCC2 65404645 RFEDUGHESPMVDS-UHFFFAOYSA-N 286.383 1.799 0 50 CDAA CSC[C@H](C)CNC(=O)N(C)C[C@@H]1CCC[C@H]1O 252511203 DYCPITVBZYRDHD-GRYCIOLGSA-N 274.430 1.788 0 50 CDAA CCn1nc(C)c(C(=O)N2CCC[C@@H](NC)C2)c1Cl 151046691 QFMQTOSPENATBU-SNVBAGLBSA-N 284.791 1.689 0 50 CDAA COc1ccc(S(=O)(=O)NC2CC2)c2cccnc12 140399 BFSLOIFCXBLJHN-UHFFFAOYSA-N 278.333 1.684 0 50 CDAA COc1ccc(-c2cnn(CCC(N)=O)c2)c(C)c1 67847170 KUALOYIMFZJKFO-UHFFFAOYSA-N 259.309 1.743 0 50 CDAA CC(C)OCCCNC(=O)N[C@H]1CC[C@H](CO)CC1 151629418 BRPUPMYRKDLZKJ-BETUJISGSA-N 272.389 1.652 0 50 CDAA CN(CC(=O)N1CCCCC1)C[C@H]1CCc2nccn2C1 328627676 GLYJRQNEIAPIRG-CQSZACIVSA-N 290.411 1.390 0 50 CDAA CC[C@H]1COCCN1C(=O)c1cc(=O)nc2sccn12 77505985 TXQXYKOCTMWAGP-VIFPVBQESA-N 293.348 1.007 0 50 CDAA Cc1cnc(N2CC[C@H](c3nccn3C)C2)nc1C 361205859 YZUWSOMRJWDAOH-LBPRGKRZSA-N 257.341 1.821 0 50 CDAA O=C(NCCc1ccccc1)N1CCC[C@@H]1Cn1cncn1 363573219 PAEKPBHWFXXUHA-OAHLLOKOSA-N 299.378 1.695 0 50 CDAA O=C(NCCN1CCCC1=O)[C@@H](O)c1cccc(Cl)c1 216144664 IDVXZGZLDYBCDA-ZDUSSCGKSA-N 296.754 1.112 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NCC2(OC)CCCCC2)N(C)C1 330546398 CJUKNKJOKYZGHY-STQMWFEESA-N 284.400 1.171 0 50 CDAA COc1ccc(OC)c([C@@H]2CCN(c3ncncn3)C2)c1 218831774 JAAMYTKDSCMRAD-LLVKDONJSA-N 286.335 1.883 0 50 CDAA COC[C@@H]1[C@@H](NC(=O)c2ccc(OC)o2)[C@@H]2CCO[C@@H]21 219610749 PFLMBISHMXZALD-FQPOAREZSA-N 281.308 1.068 0 50 CDAA C[C@@H](NC(=O)N1CC[C@H](C2CC2)C1)c1ncn(C)n1 333357325 SWMGKIPOQHROMW-KOLCDFICSA-N 263.345 1.318 0 50 CDAA CO[C@H]1C[C@@H](CN(C)c2cc(C)nc(C)n2)N(C)C1 284450788 CTLGMELCCGCESK-STQMWFEESA-N 264.373 1.249 0 50 CDAA CNC[C@H]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1 237081702 QPEMRSUTJOTNIM-CQSZACIVSA-N 298.390 1.944 0 50 CDAA COc1ccc(F)cc1C(=O)N1CC[C@@](C)(C(=O)O)C1 237168771 OAAGKSWOKFAODJ-CQSZACIVSA-N 281.283 1.771 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1ccc(C(=O)N(C)C)cc1 237123960 MFMWYNMYEYATHX-AWEZNQCLSA-N 289.379 1.212 0 50 CDAA O=C(NC[C@H]1CCCOC1)N[C@@H]1CCN(CC(F)F)C1 333901602 IVPVMWBVLMWJPG-GHMZBOCLSA-N 291.342 1.052 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)c1c(Cl)nc2ccccn12 237614616 IPHXLODVIZYYIS-VHSXEESVSA-N 292.770 1.940 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CSCN2)C[C@@H](c2ccsc2)O1 237620327 PXCBABKCXGKZQW-JLLWLGSASA-N 298.433 1.699 0 50 CDAA Cc1cccc(C(=O)N(CCC(=O)O)C2CCOCC2)n1 237600909 FDEAYLRVPFCTQS-UHFFFAOYSA-N 292.335 1.486 0 50 CDAA CC(C)[C@@H](O)CC(=O)N[C@](C)(CO)C1CCCCC1 158042003 AWMNZWMHDZRGLO-DZGCQCFKSA-N 271.401 1.841 0 50 CDAA Cc1o[nH]c(=NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)c1C 455668890 JRNYUZONCVOLGF-VXGBXAGGSA-N 281.356 1.896 0 50 CDAA Cc1cn(C)nc1C(=O)NC[C@@H]1Cc2ccccc2O1 336279089 CEGTUDKKJCBGCI-LBPRGKRZSA-N 271.320 1.462 0 50 CDAA Cn1cc(Cl)c(C(=O)N2CCC(c3ncon3)CC2)n1 426512397 ZENMIKYZGYNNMF-UHFFFAOYSA-N 295.730 1.476 0 50 CDAA CNCc1nnc(SC[C@@H]2CCC[C@H](N)C2)n1C 426495539 AHJLXKLIQGYKBL-ZJUUUORDSA-N 269.418 1.144 0 50 CDAA O=C(NC1CCOCC1)N1CC(Oc2ccccc2F)C1 426493204 OPLYNXXFYDEMEK-UHFFFAOYSA-N 294.326 1.777 0 50 CDAA CC(C)N1CCC(C(=O)N[C@@H](C)CCn2cccn2)CC1 95379079 KZUSRYCRGCBMTE-AWEZNQCLSA-N 292.427 1.898 0 50 CDAA O=C(O)c1ccccc1CN1CCC2(CC1)[C@@H](O)C[C@H]2O 91504767 CYVLQJGOUVDDGP-OKILXGFUSA-N 291.347 1.093 0 50 CDAA CN1N[C@@](C)(CC(=O)Nc2ccccc2)NC1=S 334160447 DZFNWBIEHDBKFN-LBPRGKRZSA-N 264.354 1.056 0 50 CDAA O=Cc1c(-c2cccc(F)c2)nn2cc[nH]c(=O)c12 96530851 BJPVJVUWGALJFM-UHFFFAOYSA-N 257.224 1.641 0 50 CDAA CCOCCC(=O)NC[C@H]1COc2cc(OC)ccc2C1 91452604 ACQJYFZNNSBQKE-LBPRGKRZSA-N 293.363 1.789 0 50 CDAA CCN1CCN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)CC1 623174453 BORYYTFZLVVZSQ-DGCLKSJQSA-N 276.384 1.240 0 50 CDAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)C(F)=C2CCC2)cn1 862921328 ODORGARTBSQMGW-NWDGAFQWSA-N 295.314 1.090 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1 298730714 HDGNDOMODGLTIM-JHJVBQTASA-N 277.320 1.744 0 50 CDAA CCCN1CCCN(C(=O)c2ccccc2NC)CC1=O 299142094 XZGBTVTVCIFJHC-UHFFFAOYSA-N 289.379 1.813 0 50 CDAA c1ccc2c(c1)cnn2Cc1nnc([C@@H]2CCOC2)o1 299745893 TWFBOFZNSPJJTE-LLVKDONJSA-N 270.292 1.972 0 50 CDAA CCn1c(CCNS(=O)(=O)C(C)C)nc2ccccc21 534656092 XURIHURCEARZFG-UHFFFAOYSA-N 295.408 1.927 0 50 CDAA C[C@@H](C(=O)NCc1cc[nH]n1)N1CCc2ccccc2C1 534584084 QTJIXNFDNNLNCF-LBPRGKRZSA-N 284.363 1.473 0 50 CDAA O=C(CCc1cc(Cl)no1)NCCc1ncc[nH]1 534669721 DIBWEPUYYTWZHT-UHFFFAOYSA-N 268.704 1.343 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1c(Cl)cnn1C 534641423 QSDFUOMPCNGWDC-MRVPVSSYSA-N 296.762 1.566 0 50 CDAA CN(C)Cc1ccc(C(=O)N(C)CC2(C)COC2)cc1 299785501 SNJHHDVKDVWGNY-UHFFFAOYSA-N 276.380 1.857 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)c1ncccc1O 299793869 INDLEJBCIKCNEC-VIFPVBQESA-N 275.312 1.451 0 50 CDAA Cc1cccc2oc(CNC(=O)CNC(=O)N(C)C)nc12 299758438 NDMLBBUKFLYTRS-UHFFFAOYSA-N 290.323 1.024 0 50 CDAA C[C@H](NC(=O)CCCN1CCOCC1)c1cccnc1 828000517 ULWZRRMRJJWWGO-ZDUSSCGKSA-N 277.368 1.371 0 50 CDAA CC(C)c1nccn1CCCNC(=O)c1cncc(O)c1 828930836 SPKCTEZRPOIYFD-UHFFFAOYSA-N 288.351 1.927 0 50 CDAA O=C(OCc1ccccc1)N1CCC(O)(O)[C@H](F)C1 584884036 KRNXUZSSOHLDKH-LLVKDONJSA-N 269.272 1.048 0 50 CDAA CSCCC(=O)N1CCCN(C(=O)C2CCC2)CC1 584887101 BECGBZIIFJNPQE-UHFFFAOYSA-N 284.425 1.601 0 50 CDAA Cc1cc2nc(C(=O)N[C@@H](C)c3cnn(C)c3)cc(C)n2n1 584891709 XHIIOSNPQQQTLH-NSHDSACASA-N 298.350 1.571 0 50 CDAA Cc1ccc(O)cc1C(=O)N1C[C@H](O)[C@@H](OC(C)C)C1 584902349 SIZQSXZBLJWTJI-KBPBESRZSA-N 279.336 1.311 0 50 CDAA CO[C@@H]1CC[C@H](C)N(c2nc(O)c3cnn(C)c3n2)C1 866070910 LWXDLFRLRIDZKB-DTWKUNHWSA-N 277.328 1.073 0 50 CDAA OC[C@@H](Nc1ncnc2c1CCCC2)c1ccccn1 685944964 LITMDYBYFUCBLI-CQSZACIVSA-N 270.336 1.896 0 50 CDAA O=C1Nc2ccccc2[C@@]12Nc1ccccc1-c1nnnn12 685944070 ZZZISMWFBRAZEC-HNNXBMFYSA-N 290.286 1.419 0 50 CDAA O=C(c1cccc2c1CNCC2)N1CCC[C@H]2C[C@H]21 1875315229 METTYADVHYQSSP-SWLSCSKDSA-N 256.349 1.957 0 50 CDAA C[C@@H](C(=O)NS(C)(=O)=O)c1coc2ncccc12 1875382720 NNAHZUIIQVDDJR-SSDOTTSWSA-N 268.294 1.007 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C(F)F)C2CC2)CC1 1875364396 UWBRQPFUPZEJQH-GFCCVEGCSA-N 286.322 1.571 0 50 CDAA C[C@@H]1CN(Cc2coc(C(C)(C)C)n2)S(=O)(=O)C1 877883386 OATGMOJVFVQTKR-SECBINFHSA-N 272.370 1.754 0 50 CDAA Cc1cc(N)n(CC(=O)NCCc2ccc(C)o2)n1 952990015 UCKGQOWDDFQEGR-UHFFFAOYSA-N 262.313 1.034 0 50 CDAA COc1ccc(-n2ccnc2CN2C[C@@H](O)[C@H](F)C2)cc1 952873123 VKOCHCSTWHUGQS-ZIAGYGMSSA-N 291.326 1.396 0 50 CDAA CN1C(=O)C[C@@H](CN[C@@H]2CCSC2)[C@@H]1c1ccncc1 886041052 HSGSTPFFWHRJLI-GUTXKFCHSA-N 291.420 1.696 0 50 CDAA Cc1cc(C(=O)NC2(c3ncccn3)CCOCC2)on1 886935944 DBWFOMOYZIKKRN-UHFFFAOYSA-N 288.307 1.209 0 50 CDAA Cc1cnccc1N1CCC(C(=O)O[C@@H](C)C(N)=O)CC1 888097504 MCUDQAKOWCIDNZ-NSHDSACASA-N 291.351 1.023 0 50 CDAA N[C@H](Cc1ccc(Oc2ccccc2)nc1)C(=O)O 44284810 GZESALHEKQECEZ-GFCCVEGCSA-N 258.277 1.828 0 50 CDAA Cc1cc(O)nc(CNc2nc(C)nc(C)c2C)n1 894377177 MCMSJNKEEVAQHM-UHFFFAOYSA-N 259.313 1.818 0 50 CDAA FC(F)(F)c1ccc(N2CCO[C@H](c3nc[nH]n3)C2)nc1 1775992047 WWOPLHMBGWILFO-VIFPVBQESA-N 299.256 1.796 0 50 CDAA CN(C)[S@@](C)(=O)=NC(=O)/C=C/c1ccccc1 1775998445 DGZKMRQHDWHZPG-FVNWOWOISA-N 252.339 1.801 0 50 CDAA CO[C@H](C)C1=NN(c2ccc(C(F)(F)F)nn2)C(=O)C1 899351843 SYOHIUIVUSQMNK-ZCFIWIBFSA-N 288.229 1.623 0 50 CDAA Cc1ccccc1C(=O)N1CCN([C@H](C)CC(=O)O)CC1 630226768 ZPAHRIBSZFWBGS-CYBMUJFWSA-N 290.363 1.616 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)Nc1cccc2n[nH]cc12 673464084 JMJQURYKHHEAPV-UHFFFAOYSA-N 291.336 1.406 0 50 CDAA CNC(=O)C1CN(c2ccnc(-c3ccccc3)n2)C1 274280803 VKLDETPFWBWJMF-UHFFFAOYSA-N 268.320 1.326 0 50 CDAA Nc1cc(Br)cc(C(=O)NC2CC2)c1 95494760 QNKAJEWYKCOAOX-UHFFFAOYSA-N 255.115 1.924 0 50 CDAA in-vitro Cc1ccccc1Cc1nnc2n1CCS(=O)(=O)CC2 630951899 QJLCXKFBBZXBDM-UHFFFAOYSA-N 291.376 1.148 0 50 CDAA O=C(Cn1cc([C@@H]2CCCNC2)nn1)NC1CCCCC1 404666367 VJOKEOALLQYWPF-GFCCVEGCSA-N 291.399 1.194 0 50 CDAA Cc1sc(C(=O)O)cc1CN(C)Cc1cn(C)nn1 701912743 AOYMBVOIHWTMOY-UHFFFAOYSA-N 280.353 1.515 0 50 CDAA CN(C[C@H]1CCS(=O)(=O)C1)c1ncc(Cl)cn1 408331025 VMGCIXGJGMUABT-MRVPVSSYSA-N 275.761 1.001 0 50 CDAA COc1cccc(C(=O)N(CC(F)F)C[C@@H](C)O)c1 408520722 ULFJFMCUQAEWFF-SECBINFHSA-N 273.279 1.783 0 50 CDAA CN1CCCN(C(=O)c2ccc(Cl)s2)CC1=O 170087996 SCAOPIRVKZFIGV-UHFFFAOYSA-N 272.757 1.706 0 50 CDAA CCCCCS(=O)(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 222303526 GTWPBCMDLOQUKW-STQMWFEESA-N 276.446 1.921 0 50 CDAA CN(C)CC1CCN(c2ncnc3[nH]ncc23)CC1 170633617 LHMRDTCASPBBJD-UHFFFAOYSA-N 260.345 1.131 0 50 CDAA O=C1NC2(CCO1)CN(C(=O)C[C@H]1C[C@H]3CC[C@H]1C3)C2 585090519 BSBWZDTUNOGTPH-SDDRHHMPSA-N 278.352 1.524 0 50 CDAA C[C@@H](c1ccncc1)N(C)C(=O)Cc1cncc(O)c1 553393323 SAWNSJGKAHMHJI-NSHDSACASA-N 271.320 1.944 0 50 CDAA Cc1ccc(S(=O)(=O)[C@H](C)c2nnnn2C)c(C)c1 188923865 CQQPCFIUWSYMTG-SNVBAGLBSA-N 280.353 1.362 0 50 CDAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)C1(SC)CC1)CC2 190485431 KAKIRUFHYPQDAU-RYUDHWBXSA-N 299.436 1.661 0 50 CDAA Cc1csc(CCCNC(=O)[C@H]2CCCO2)n1 41568089 DFKRZSHEOGCWHL-SNVBAGLBSA-N 254.355 1.679 0 50 CDAA NC(=O)C1(NCc2cnn(Cc3ccc(F)cc3)c2)CC1 191482137 KUMIDGGCUKSBNQ-UHFFFAOYSA-N 288.326 1.178 0 50 CDAA CC(=O)N1CCN(c2ncnc3[nH]c(C)c(C)c23)CC1 645094138 HCCFAFHPFCQTDK-UHFFFAOYSA-N 273.340 1.243 0 50 CDAA CC[C@@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)C(=O)OC 192858360 QQFBJJKJLOWTHP-UONOGXRCSA-N 296.411 1.709 0 50 CDAA O=C(c1ccccc1-n1ccnn1)N1Cc2c[nH]nc2C1 647796292 RVAQZQMFCBBYES-UHFFFAOYSA-N 280.291 1.146 0 50 CDAA NCc1nc(-c2ccc(NC(=O)C3[C@@H]4CCC[C@@H]34)cc2)n[nH]1 193334105 BIAMJQRFWTVMFC-VXGBXAGGSA-N 297.362 1.915 0 50 CDAA C[C@H]1CN([C@@H](C(=O)O)c2cccnc2)C[C@@H](C)O1 565101228 CABACPIFVUPDGG-JFGNBEQYSA-N 250.298 1.317 0 50 CDAA OCCN(Cc1nc(Cc2ccccc2)no1)CC(F)F 194854396 GDGNOLLBDKHUOD-UHFFFAOYSA-N 297.305 1.720 0 50 CDAA O=C(O)COc1ccccc1C(=O)N1CCCCC1 567886648 UAKSVELIORZQSX-UHFFFAOYSA-N 263.293 1.776 0 50 CDAA C[C@H]1CN(c2cc(CO)c(F)cn2)CC2(CCOCC2)O1 663856831 TZOVLNYZJXCIQX-NSHDSACASA-N 296.342 1.487 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)CNCC[C@H]12 211174697 NXSFCOFBYPGVMY-ZANVPECISA-N 270.329 1.060 0 50 CDAA in-vitro Cc1nc(CNC(=O)[C@H]2CCCCO2)sc1C(=O)O 110788477 ITJCNNUWIYSEDF-MRVPVSSYSA-N 284.337 1.335 0 50 CDAA Cc1cc(C)n2nc(SCCc3cnn[nH]3)nc2n1 521394499 AEUDWUNRPRPXDI-UHFFFAOYSA-N 275.341 1.194 0 50 CDAA CCc1nnc(C(=O)N=S2(=O)CCCC2)s1 925902724 LPPKIPBQEPLHGZ-UHFFFAOYSA-N 259.356 1.503 0 50 CDAA C[C@H]1CN(C[C@@H](O)COC2CCCCC2)C[C@@H](C)O1 12414140 WRNHQEHAJUBKFK-HZSPNIEDSA-N 271.401 1.806 0 50 CDAA Cc1ncccc1CC(=O)NC1CCC(C(=O)O)CC1 1600753613 ZNICPRONQLCNDW-UHFFFAOYSA-N 276.336 1.692 0 50 CDAA CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC(C)(C)[C@@H]1C1CC1 368151764 LBTREZLEOROTDC-MNOVXSKESA-N 281.400 1.716 0 50 CDAA CO[C@@]1(c2nnc3n2CC(C)(C)CC3)CCOC1 1616037634 DVRYYWIRNZCNOH-ZDUSSCGKSA-N 251.330 1.513 0 50 CDAA Cc1cnn([C@@H](C)C(=O)NCc2cccn3nccc23)c1 1772807130 JJXRQLIJKFPPSE-LBPRGKRZSA-N 283.335 1.717 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1c1ncc(Cl)cn1 1772704922 VCXPNNWGCPCITE-PSASIEDQSA-N 266.732 1.330 0 50 CDAA O=C1C[C@H](NCc2c[nH]cn2)CN1C1CCCCCC1 11818867 JMRMAEHRRSNDDH-LBPRGKRZSA-N 276.384 1.823 0 50 CDAA C[C@@H](C(=O)NCCc1cnccn1)n1cnc2ccccc21 19952040 JWFRSDFNHPZOLV-LBPRGKRZSA-N 295.346 1.746 0 50 CDAA CCCCNC(=O)C(O)(C(F)(F)F)C(F)(F)F 169799520 BXWYOXXZMKITKA-UHFFFAOYSA-N 267.169 1.758 0 50 CDAA Cc1cc2c(cc1C)N(C(=O)c1cc(C(N)=O)no1)CC2 1857530693 GYJBFQYKGJAUJY-UHFFFAOYSA-N 285.303 1.593 0 50 CDAA CCc1cc(CN(C)C[C@H](O)C2CCNCC2)on1 1857668468 FPCQLNKFZDTREB-AWEZNQCLSA-N 267.373 1.029 0 50 CDAA CC(C)C(=O)N1CCC(N2C[C@H]3C[C@@H](O)C[C@H]3C2)CC1 1857683002 OOEOCQGJFFPQCL-AGGWBTHJSA-N 280.412 1.336 0 50 CDAA CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 35982650 ULOCGBQHDMCQDX-UHFFFAOYSA-N 292.763 1.415 0 50 CDAA CCCN=c1ncc(-c2nccn2C2CCOCC2)c[nH]1 1875249556 AVTBIVNHZCYIDC-UHFFFAOYSA-N 287.367 1.935 0 50 CDAA NC(=O)N1CCCN(Cc2ccn(-c3ccccc3)n2)CC1 111687280 OXCZEQLGAUMPEC-UHFFFAOYSA-N 299.378 1.459 0 50 CDAA CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 4574730 QJKMZSYRDONSFC-SNVBAGLBSA-N 281.768 1.618 0 50 CDAA O[C@@H]1CCC[C@@H]1CNc1nccc(-c2cnccn2)n1 333508615 DQIDMTBQZIHAIM-ZWNOBZJWSA-N 271.324 1.507 0 50 CDAA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CC(C)(C)N)C[C@@H](C)O1 237509406 BVKZQLSZIUNXBR-MCIONIFRSA-N 297.443 1.214 0 50 CDAA O=C(N1CCC(O)CC1)C1(c2cccnc2)CCCC1 335163876 LWFPUBXNXIRGTH-UHFFFAOYSA-N 274.364 1.877 0 50 CDAA COc1ccc(CN2C(=O)O[C@H]3CN(C)C[C@H]32)cc1OC 248119754 JOUNENGPPHFZSA-RISCZKNCSA-N 292.335 1.339 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCOC1 250813642 DTLQNBTZKVETOO-QCNOEVLYSA-N 267.325 1.267 0 50 CDAA Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1n[nH]cc1C 375082925 XNDQABCVMLQQHK-OAHLLOKOSA-N 284.363 1.700 0 50 CDAA CC1=C(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CCCO1 583620391 CUFUOEFWWMBWRQ-ZNMIVQPWSA-N 295.379 1.459 0 50 CDAA O=C(O)c1ccccc1CN1CCN(c2cnccn2)CC1 583818030 LUEJPAVPAMMMQC-UHFFFAOYSA-N 298.346 1.497 0 50 CDAA COC(=O)c1nccnc1N1CC[C@H](CN2CCCC2)C1 591915305 LUHLIWFZMRGYQL-GFCCVEGCSA-N 290.367 1.185 0 50 CDAA CSC1(C(=O)N[C@@H]2CCc3ccccc3NC2=O)CC1 594071043 WGFFARKCFRIRJP-GFCCVEGCSA-N 290.388 1.952 0 50 CDAA O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)c1coc(C2CC2)n1 910341841 WRGRVUWJHFDNFF-ITMYJUKJSA-N 276.292 1.535 0 50 CDAA Cn1nc2ccccc2c1-c1noc(C[C@@H](N)C2CC2)n1 843227063 QXOZMJYDAMKZAP-LLVKDONJSA-N 283.335 1.903 0 50 CDAA C1CC2(CCO1)CCN(CC[C@@H]1COCCO1)CC2 1775982229 MPVRQUYOQOAALM-CQSZACIVSA-N 269.385 1.685 0 50 CDAA Cn1cc(CN(C(=O)c2ccc(N)nc2)C2CC2)cn1 223175448 ZDXSGQBIUBMXIX-UHFFFAOYSA-N 271.324 1.202 0 50 CDAA CC(C)(C)C(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 236677733 OMZVHBUPJGEPTD-LLVKDONJSA-N 283.416 1.077 0 50 CDAA COc1ccc([C@H](C)NC(=O)C2(C(=O)O)CC2)cc1F 154762343 RUGZBFXKPZGSKO-QMMMGPOBSA-N 281.283 1.876 0 50 CDAA C[C@@H](CNC(=O)c1cccc2c1OCCO2)CC(=O)O 157916482 FOGHBPGUBPKZMB-SECBINFHSA-N 279.292 1.298 0 50 CDAA Nc1ncccc1CN1CCN(C(=O)C2CCC2)CC1 670450738 JCFYRQAFOVTTJS-UHFFFAOYSA-N 274.368 1.108 0 50 CDAA O=C1C[C@H](CC(=O)N[C@H]2C[C@H](CF)C2)CCCN1 2325786907 YGJVKSLQUYBJIL-GMTAPVOTSA-N 256.321 1.157 0 50 CDAA COCCC1CC(NC(=O)NC23CC(C)(C2)O[C@@H]3C)C1 2325828864 UDWRBGBREXZXCH-NAJBLILTSA-N 282.384 1.811 0 50 CDAA Cc1cc(F)c2c(c1)N[C@H](C(=O)N[C@H]1C[C@@H](C(=O)O)C1)C2 905292715 QVHYZUZTXUBZRO-RWEMILLDSA-N 292.310 1.450 0 50 CDAA CC(C)(CN)C(=O)N1CCC(N2CCCC2)CC1 123088847 TVMIJGQUTLGFHW-UHFFFAOYSA-N 253.390 1.058 0 50 CDAA CCOC(=O)O[C@@H](C)CNC(=O)[C@H](C)OC(=O)OCC 1871172 HKRYSUXRVIVJTP-IUCAKERBSA-N 291.300 1.226 0 50 CDAA NCCc1ccc(-c2n[nH]c3ncnc(N)c23)cc1 2356142786 HUKRMGZQZQJKIW-UHFFFAOYSA-N 254.297 1.103 0 50 CDAA COC1(CN(C)C)CCN(c2nc(C)ncc2Cl)CC1 2356146849 XQBCCHVOUDJFOA-UHFFFAOYSA-N 298.818 1.985 0 50 CDAA COc1ccc(C(=O)NCCNC(=O)c2ccncc2)cc1 2986345 HUXHMXCBMNMZFK-UHFFFAOYSA-N 299.330 1.250 0 50 CDAA O=C(Nc1nccs1)c1ccccc1-n1cnnn1 3326380 PPRLTAXPDBAPQT-UHFFFAOYSA-N 272.293 1.371 0 50 CDAA COc1ccc(/C=C2/SC(=N)NC2=O)c(OC)c1 3899283 XKVZXNKUWRCIHA-BJMVGYQFSA-N 264.306 1.842 0 50 CDAA CC[C@H](C)NC(=O)[C@H]1CC(c2ccccc2O)=NO1 4505233 WZOFUGXFIVPXPH-TVQRCGJNSA-N 262.309 1.800 0 50 CDAA N=c1n(CCO)c2ccccc2n1CCN1CCCCC1 4794063 MJKQHDSLMAFJOR-UHFFFAOYSA-N 288.395 1.400 0 50 CDAA CCOc1cc(CNCCO)c(Cl)cc1OC 4840532 AUQHBHWWFZQAQM-UHFFFAOYSA-N 259.733 1.829 0 50 CDAA Cn1c(SCC(=O)NC2CCCC2)nnc1C1CC1 4946832 GCCDSBQVWAPOMN-UHFFFAOYSA-N 280.397 1.843 0 50 CDAA COc1cccc(N2C(=O)c3cccnc3C2=O)c1 6737275 UARJKYHBDCPFRN-UHFFFAOYSA-N 254.245 1.891 0 50 CDAA O=C1C[C@@H](Cc2ccccc2)C(=O)N1CCCn1ccnc1 100130616 AMSXYPBYJSIEDQ-OAHLLOKOSA-N 297.358 1.891 0 50 CDAA COCc1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)o1 104451748 BUPQBTWHRBCIHK-CQSZACIVSA-N 296.411 1.703 0 50 CDAA CCOc1ccc(OCCOCCN2CCOCC2)cc1 20118127 SYMKDUBNAKBPMR-UHFFFAOYSA-N 295.379 1.813 0 50 CDAA CC(C)(C(=O)O)S(=O)(=O)CCCC(F)(F)F 113899583 STYFTDHREOUWDA-UHFFFAOYSA-N 262.249 1.607 0 50 CDAA COCCCNC(=O)c1ccc(C(=O)OC)cc1 10454585 ASNDZCJHIAOBHK-UHFFFAOYSA-N 251.282 1.240 0 50 CDAA Cc1nc(CNC(=O)[C@H](C)Cn2cccn2)cs1 67850799 VHSCOGGTGJRCCT-SECBINFHSA-N 264.354 1.601 0 50 CDAA C[C@H](C(N)=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1 229166326 SQZMOXLSCFCHJU-VXGBXAGGSA-N 281.400 1.021 0 50 CDAA CCN(c1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)CC 65362080 CCBCVFDABFGZBA-UHFFFAOYSA-N 296.392 1.755 0 50 CDAA C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1F)N(C)C 252517134 AQMPYSMONIEUKG-KGYLQXTDSA-N 264.344 1.996 0 50 CDAA F[C@H]1C[C@@H](CN[C@H]2CCCSC2)N(c2cccnn2)C1 328640203 PVNPYEMRCGDPFW-AVGNSLFASA-N 296.415 1.879 0 50 CDAA O=C(NC1(C(=O)O)CCOCC1)[C@H]1CC=CCC1 127406817 HWHMVEJCGVFSDQ-JTQLQIEISA-N 253.298 1.093 0 50 CDAA O=C(NC1CC1)c1c(-n2cnnn2)sc2c1CCC2 36365383 SUXALNFXZDDHSD-UHFFFAOYSA-N 275.337 1.105 0 50 CDAA Cc1nc([C@H]2CCCN2C[C@H]2CCCS(=O)(=O)C2)no1 328860297 AJWXBJACOPDUNQ-VXGBXAGGSA-N 299.396 1.340 0 50 CDAA Cn1cc(NCc2cc(F)ccc2-n2cccn2)nn1 32511777 QVKMOSURQPQIAM-UHFFFAOYSA-N 272.287 1.752 0 50 CDAA COc1ccc(-c2cncc(C(=O)O)n2)c(OC)c1 215631823 GFNKFAONPFCNIK-UHFFFAOYSA-N 260.249 1.859 0 50 CDAA COC[C@@H](C)C(=O)N1CCC[C@H]1c1cc(C)on1 363382955 GQLIZJXGRFNQKL-SKDRFNHKSA-N 252.314 1.929 0 50 CDAA CC1(C)[C@@H]2CN(C(=O)c3ccc(-c4nc(=O)o[nH]4)cc3)C[C@H]21 333316433 OXFXNBGIYQYVIU-VXGBXAGGSA-N 299.330 1.758 0 50 CDAA O[C@H]1COCCN(C2CCN(c3ccccc3F)CC2)C1 77517543 FFIYDZSTWYIQGN-CQSZACIVSA-N 294.370 1.488 0 50 CDAA O=C(c1cc2c([nH]1)CCCC2)N1CC[C@@H](c2nc[nH]n2)C1 333471800 NTJWBLKEGCAAGG-LLVKDONJSA-N 285.351 1.641 0 50 CDAA CNC[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(C)c1 237282145 RGZFXHLDDQLXCB-LLVKDONJSA-N 286.372 1.507 0 50 CDAA CC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 216267271 XVEMHSPMHOYPNQ-VNHYZAJKSA-N 295.427 1.091 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(C)c1 35610153 SWZACGAQTZSKJT-SNVBAGLBSA-N 273.354 1.053 0 50 CDAA COc1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)O)ccc1C 132941308 KIDWGMDIWRUWGP-UWVGGRQHSA-N 265.309 1.843 0 50 CDAA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccsc1 219049709 TWVVCHJBDAMBJZ-CHWSQXEVSA-N 298.408 1.214 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2ccc(-n3cccn3)cc2)C1 284639068 UFZBUXGMTILIJI-JKSUJKDBSA-N 287.363 1.454 0 50 CDAA COC[C@@H]1CN(C(=O)Cc2cccnc2)CC(C)(C)O1 285417261 HERYGAONWDFTSE-ZDUSSCGKSA-N 278.352 1.277 0 50 CDAA COc1ccc([C@@H](NC(=O)[C@@H]2CC23CC3)C(=O)O)cc1 263260276 UQVZNNHUNNKERY-NWDGAFQWSA-N 275.304 1.737 0 50 CDAA Cc1nc(O)cc(CNc2cc(C3CC(O)C3)ncn2)n1 222476595 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1.726 0 50 CDAA COC[C@@H]1CN(C(=O)c2cnc(O)cc2C)CC(C)(C)O1 343750802 DFYLRLSYZQULIH-NSHDSACASA-N 294.351 1.362 0 50 CDAA CCOC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 4342858 UAOQPEANZVBDPV-UHFFFAOYSA-N 278.264 1.931 0 50 CDAA Cc1nn(C)c(C)c1N1C(=O)c2ccccc2C1=O 4845732 WBHMACSPABIFDF-UHFFFAOYSA-N 255.277 1.838 0 50 CDAA COc1cc(CNC(=O)c2cnn(C)c2C)cc(OC)c1 999820 BBROHJKXVFQVSU-UHFFFAOYSA-N 289.335 1.676 0 50 CDAA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cnoc1C 345804291 ISMVCIYHLQVTMP-RRFJBIMHSA-N 280.368 1.999 0 50 CDAA C[C@@H](CN(C)Cc1ccc2c(c1)CCO2)N1CCOCC1 65509235 JZKABUDMFKIMSN-AWEZNQCLSA-N 290.407 1.774 0 50 CDAA CCN1CCN(Cc2ccc(O)c(C)c2)[C@@H](C)C1=O 67966154 VXZZGVKFYZCKRD-LBPRGKRZSA-N 262.353 1.753 0 50 CDAA CS(=O)(=O)NCCSCc1ccccc1F 10281677 LRTQJJXPJKGAHM-UHFFFAOYSA-N 263.359 1.608 0 50 CDAA CCC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 10302581 YTWYLCPLTWPJLG-NEPJUHHUSA-N 290.429 1.353 0 50 CDAA CNCCc1noc(COc2ccc3c(c2)CCC3)n1 66323490 NIVIMLOMXYPYBJ-UHFFFAOYSA-N 273.336 1.899 0 50 CDAA NC(=O)[C@H]1CC[C@H](CNC(=O)c2c(O)cccc2F)CC1 421928371 WBXOUSIDRHNEMY-MGCOHNPYSA-N 294.326 1.553 0 50 CDAA C[C@@H]1[C@H](N)CCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 423637649 COJSKDDJVGEYSB-GMTAPVOTSA-N 293.333 1.209 0 50 CDAA COc1ccc(N(C)C(=O)c2cnc3nccnc3c2)cn1 352830477 ANQIMOLNHLGXNA-UHFFFAOYSA-N 295.302 1.705 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)c2cccs2)[C@H]1CN 252192228 RTSAILULKVQTTI-UWVGGRQHSA-N 274.411 1.496 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)NCCc1ncc[nH]1 1506400955 AZQGSFUNUFFBQJ-JTQLQIEISA-N 252.362 1.235 0 50 CDAA COC[C@H](CO)NC(=O)[C@H](C)CCc1cccc(F)c1 252494159 NMLHTVURPTUNRG-RISCZKNCSA-N 283.343 1.518 0 50 CDAA O=C([C@@H]1C[C@@H](O)CN1)N1CC2(CCCC2)c2ccccc21 252519017 AQXGWCXECJTIAE-OCCSQVGLSA-N 286.375 1.568 0 50 CDAA Cc1noc([C@H]2C[C@H](O)CN2Cc2ccc3c[nH]nc3c2)n1 328640899 QIDKYKPKIDIIHJ-GXTWGEPZSA-N 299.334 1.562 0 50 CDAA CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 258739 OCFPTFVQZWHPPH-SNVBAGLBSA-N 257.311 1.137 0 50 CDAA CC[C@H]1CN(c2cncc(C(=O)N(C)C)n2)CC[C@@]1(C)O 67755510 XVQPJGRFXVCIAJ-XHDPSFHLSA-N 292.383 1.166 0 50 CDAA Cc1cc(CN(C)C(=O)[C@@](C)(O)C2CCOCC2)no1 431934163 DITUAEFXPWMJPZ-AWEZNQCLSA-N 282.340 1.119 0 50 CDAA O=S(=O)(NC1CCCC1)C1CN(CC(F)(F)F)C1 253429105 GLIGYHMJNOEJDT-UHFFFAOYSA-N 286.319 1.095 0 50 CDAA C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](C)C(=O)O 253429557 HPHOZCFPOQJJTB-RKDXNWHRSA-N 253.273 1.594 0 50 CDAA Nc1nc(O)c(CCCCC(=O)OC2CCCC2)c(=O)[nH]1 39439471 ZUCYGEFPUOBQOR-UHFFFAOYSA-N 295.339 1.256 0 50 CDAA CC(=O)Oc1ccc(-c2noc(C)n2)cc1OC(C)=O 219040271 UMOSMADANPQWQK-UHFFFAOYSA-N 276.248 1.896 0 50 CDAA Ic1cnn([C@H]2CCCNC2)c1 70677733 SRLZBDQBJOWJID-QMMMGPOBSA-N 277.109 1.412 0 50 CDAA Cc1nc(-c2cccc(C(=O)N3CCNC[C@@H]3C)c2)n[nH]1 125590325 OZQRAHZOMWJPOQ-JTQLQIEISA-N 285.351 1.214 0 50 CDAA Cc1cc(N[C@@H](Cc2ccccc2)C(N)=O)n2nccc2n1 72453797 ISKKUZSGQAWMKB-ZDUSSCGKSA-N 295.346 1.546 0 50 CDAA CCN(C(=O)[C@@H]1COCCO1)c1cccnc1C 331269987 UDOCMWNYPMLPBR-LBPRGKRZSA-N 250.298 1.158 0 50 CDAA Cc1[nH]c2c(CN3CCO[C@@H](C(N)=O)C3)cccc2c1C 216385242 MSQKVQLIHUUGDK-CQSZACIVSA-N 287.363 1.471 0 50 CDAA CCCc1cc(N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)n2ncnc2n1 333688772 MFNFRQZQBAIJIO-AAVRWANBSA-N 297.362 1.466 0 50 CDAA C[C@@H](C(=O)Nc1cnn(C(C)(C)C(=O)O)c1)n1cccn1 262838310 SZZJDIXJJKHQRX-VIFPVBQESA-N 291.311 1.099 0 50 CDAA CC(C)CCN1CC2(CCN([C@@H](C)CO)CC2)OC1=O 72433625 KUFVQLKTZNFMKJ-ZDUSSCGKSA-N 284.400 1.700 0 50 CDAA CC(C)N1CCCC[C@@H]1CN1C[C@@H](O)C2(CC2)C1 335241319 LGSQISVMLLYJLK-ZIAGYGMSSA-N 252.402 1.706 0 50 CDAA COC(=O)C1CN(c2nc(C(C)C)nc3c2cnn3C)C1 72462648 LDGJYPKDFMGWRV-UHFFFAOYSA-N 289.339 1.096 0 50 CDAA COc1ccc(CN2CCC(O)(c3cccnc3)CC2)cn1 215648226 YDYXKHBNKBEARR-UHFFFAOYSA-N 299.374 1.969 0 50 CDAA CC[C@@H](NC(=O)c1ccc(O)c(C)c1)[C@H]1C[C@H](O)C1 218957313 IWMOKHMYYCGYDS-FRRDWIJNSA-N 263.337 1.980 0 50 CDAA Nc1ncccc1CN1CCC(N2CCC[C@H](O)C2)CC1 72463069 YUIZSJMNEZBSPC-HNNXBMFYSA-N 290.411 1.085 0 50 CDAA CCOC[C@H](O)COc1ccc(-c2ncn(C)n2)cc1 242197026 XHEQSBSWIRPZSU-LBPRGKRZSA-N 277.324 1.258 0 50 CDAA Cc1cc(NC(=O)[C@@H](C)N(C)Cc2nccs2)on1 175101966 GXBRTVLZNIPYHI-SECBINFHSA-N 280.353 1.899 0 50 CDAA O=C(c1cc(C2CC2)[nH]n1)N1CCOCC(F)(F)C1 288429781 BODPUOALUQXFNT-UHFFFAOYSA-N 271.267 1.395 0 50 CDAA Cc1nn(C)cc1CNC(=O)Nc1nc(C)n(C(C)C)n1 48156050 NHQHKPZHBZUWMQ-UHFFFAOYSA-N 291.359 1.531 0 50 CDAA CO[C@@H]1CC[C@@H](NC(=O)c2cccc(OCC(=O)O)c2)C1 263575129 OMTWYDKJRSRJMP-VXGBXAGGSA-N 293.319 1.447 0 50 CDAA O=C(NC1(C(=O)O)CCC1)c1cccc(-c2ncc[nH]2)c1 426677419 IDBNMAKXLRRFOI-UHFFFAOYSA-N 285.303 1.814 0 50 CDAA Cc1cc(C)n(CCCN(C)C(=O)[C@@H](C)n2ccnc2)n1 426429090 RMJZIMNXABRPBB-CQSZACIVSA-N 289.383 1.806 0 50 CDAA CC(C)c1nnc(CN2CCC(c3nc[nH]n3)CC2)o1 83424699 MGZVBFXBJNOLIP-UHFFFAOYSA-N 276.344 1.691 0 50 CDAA CCOCCCNC(=O)c1cnc(-c2ccccn2)nc1 426599787 UAJFKMHCVDSEFC-UHFFFAOYSA-N 286.335 1.695 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](Oc2ccnc(CN)c2)C1 381900527 WDMDCQRLSUZIMY-ZDUSSCGKSA-N 293.367 1.929 0 50 CDAA Cc1cn2cc(C(=O)N3C[C@H]4CCC[C@@]4(CO)C3)ccc2n1 82108755 BVXGCXTWQXXLLZ-PBHICJAKSA-N 299.374 1.877 0 50 CDAA CC(C)c1scnc1C(=O)NCc1nc(C(N)=O)co1 617486775 BUGCWCXZSZGQID-UHFFFAOYSA-N 294.336 1.283 0 50 CDAA Cc1nc(CN2C(=O)COc3ccc(F)cc32)n(C)n1 95379972 VODOTPZZPLWLES-UHFFFAOYSA-N 276.271 1.188 0 50 CDAA O=C(NCCCn1ccnn1)c1ccc2cccc(F)c2n1 91626188 HSIRHQGMXNMTDJ-UHFFFAOYSA-N 299.309 1.786 0 50 CDAA CCO[C@H](C)C(=O)Nc1nc(CC(=O)O)cs1 236914321 HEOJLGOSESHNSA-ZCFIWIBFSA-N 258.299 1.134 0 50 CDAA Cc1cnc(CNC(=O)c2cc(C)c(C)[nH]c2=O)cn1 96148750 NBHVJCWDNLAHPD-UHFFFAOYSA-N 272.308 1.020 0 50 CDAA CCCn1cc(C(=O)N[C@@H](CC(C)C)C(N)=O)c(C)n1 91305797 QRCUXHLZEZSABS-LBPRGKRZSA-N 280.372 1.231 0 50 CDAA CCc1nc(CN(C)CCN(C)C2CCCC2)n[nH]1 244874537 XCYUWRDFGKCEEM-UHFFFAOYSA-N 265.405 1.673 0 50 CDAA COc1cccc([C@H]2CCN2CC(=O)N2CCOCC2)c1 244873241 WMKMTLANDHGTMQ-OAHLLOKOSA-N 290.363 1.301 0 50 CDAA CCn1ccnc1CNC(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C 295702005 JAFFAUDGNNJHMH-XQQFMLRXSA-N 278.400 1.781 0 50 CDAA CC(C)c1ncncc1C(=O)N1CC[C@@H](C(=O)O)C1 299743117 LWPRSBRQZDENCL-SECBINFHSA-N 263.297 1.147 0 50 CDAA Cc1cccc2nc(CN(C)CCCC(N)=O)[nH]c12 252479836 BNNWKFBBDUTMJG-UHFFFAOYSA-N 260.341 1.569 0 50 CDAA CCN(Cc1noc(C2CC2)n1)C(=O)NC[C@@H](C)OC 534637810 MENIDWLILLBNHV-SECBINFHSA-N 282.344 1.513 0 50 CDAA COCCOc1ccc(-c2cnn(CC(=O)O)c2)cc1 534641398 IOXYEMJNYCSXDR-UHFFFAOYSA-N 276.292 1.660 0 50 CDAA COCCN(CC(=O)O)Cc1cc(-c2ccccn2)no1 534640084 KLYQKPFLUSMWEG-UHFFFAOYSA-N 291.307 1.270 0 50 CDAA CCCn1ccnc1CNC(=O)[C@H](C)CN1CCCC1 534660391 PGGAPSXLXCBBHC-CYBMUJFWSA-N 278.400 1.641 0 50 CDAA Cc1nnc(CN2Cc3ccccc3S2(=O)=O)s1 629399263 DZLBPRUFBOHCEN-UHFFFAOYSA-N 281.362 1.551 0 50 CDAA Cc1n[nH]c(C)c1CNc1cc([C@@H]2CCOC2)ncn1 299773968 GXRYWWVGLACYPP-LLVKDONJSA-N 273.340 1.933 0 50 CDAA CNC(=O)C[C@@H]1CCN(Cc2nc(C)cs2)C1 823820918 FVJIMFZNKKIDPQ-JTQLQIEISA-N 253.371 1.410 0 50 CDAA CC[C@@H](CNC(=O)N1CCNCC1)Cc1ccccc1 822620671 KWCNCCMPDFKGRL-CQSZACIVSA-N 275.396 1.870 0 50 CDAA N[C@@H]1CN(C(=O)NCCC(F)(F)F)CC12CCC2 1553457489 IPNMWFDOIQVUTD-MRVPVSSYSA-N 265.279 1.462 0 50 CDAA Cc1csc([C@@H](C)NC(=O)CCc2nncn2C)n1 584892645 TUMPJAJVRDRWKQ-SECBINFHSA-N 279.369 1.390 0 50 CDAA Cc1cc(C)n(CCNC(=O)c2ccsc2)c(=O)n1 670461898 KXOPGEIMIKYLQB-UHFFFAOYSA-N 277.349 1.352 0 50 CDAA Cc1noc(C)c1CNC(=O)c1cccn2nccc12 1875289396 OLUBUSACLWUGQB-UHFFFAOYSA-N 270.292 1.869 0 50 CDAA CC[C@H](NC(=O)c1ccnn1C(C)C)[C@@H](O)C(F)(F)F 270810029 CABGEQPKAULAFF-WCBMZHEXSA-N 293.289 1.896 0 50 CDAA C=CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 1875366031 VPPPXERGUQKLLB-ZDUSSCGKSA-N 258.321 1.179 0 50 CDAA C=CC(=O)NCC(=O)N[C@H]1CCOc2ccc(CC)cc21 1875303107 WHLXROVOPIFZDZ-ZDUSSCGKSA-N 288.347 1.491 0 50 CDAA Cc1cc(C)c(CN(C=O)C[C@](C)(O)CN(C)C)c(C)c1 1875324967 FGGNZZKTYAADLF-QGZVFWFLSA-N 292.423 1.883 0 50 CDAA CN(C)C/C=C/C(=O)NC1(c2ccc(F)cc2)COC1 1875379414 UHFQWAHSQRUHPV-ONEGZZNKSA-N 278.327 1.285 0 50 CDAA Cc1cc(C(=O)N2CCOc3ccccc3[C@H]2CO)n[nH]1 887109984 YFOOHLGOBSNUIE-CYBMUJFWSA-N 287.319 1.286 0 50 CDAA O=C(Nc1ccnnc1)N[C@@H]1CCO[C@H]1c1cccnc1 888101073 YGGLKTNBBFWAQN-OLZOCXBDSA-N 285.307 1.523 0 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89222708 KJUYFPJSIRWYOW-QMMMGPOBSA-N 276.155 1.626 0 50 CDAA in-vitro Cc1ccncc1CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 1594431297 XVMNJVCSHUGLSO-HNNXBMFYSA-N 298.342 1.745 0 50 CDAA CSC(C)(C)CNC(=O)c1cn(C)nc1[C@H]1CCOC1 275880022 KWLDFGQZYUBEIP-JTQLQIEISA-N 297.424 1.795 0 50 CDAA CN1CCN(c2cc(Br)ccn2)CC1 40456703 PCVKEOQZVDCNGO-UHFFFAOYSA-N 256.147 1.596 0 50 CDAA in-vitro Cc1cc(S(=O)(=O)NCC2CCNCC2)sc1C 170070891 YZARUDPVJQCYAK-UHFFFAOYSA-N 288.438 1.643 0 50 CDAA Cc1cnc2c(C)cccc2c1N1C[C@H](O)[C@H](O)C1 408391901 FXIUFEGCFFLYAM-BETUJISGSA-N 258.321 1.393 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc(O)n1 408470725 VKADDWNSHNVWMQ-MGPQQGTHSA-N 290.363 1.861 0 50 CDAA CN(Cc1cn(C(C)(C)C)nn1)Cc1nccn1C 170611888 MVDROQAWGNBVAF-UHFFFAOYSA-N 262.361 1.399 0 50 CDAA CNc1ccc(C(=O)NCc2ccc(C(=O)OC)cc2)cn1 170617894 NVQQYUZJNWMINT-UHFFFAOYSA-N 299.330 1.840 0 50 CDAA CC(=O)c1nccn1CC(=O)NCCc1ccccc1C 170619689 CSRCMIJRYNZZBW-UHFFFAOYSA-N 285.347 1.753 0 50 CDAA CCC(CC)N1C[C@@H](C(=O)NCc2ccoc2)CC1=O 171466535 OGJOLOHDASGUSA-LBPRGKRZSA-N 278.352 1.933 0 50 CDAA Cc1cnc(NC[C@H](CO)[C@H]2CCOC2)nc1C 281043112 RLGRFQWKPOELHO-NWDGAFQWSA-N 251.330 1.150 0 50 CDAA CC(C)O[C@@H]1C[C@@H](NCc2cc(C(=O)O)nn2C)C1(C)C 635309366 WVNNPLYMYCTFDU-CHWSQXEVSA-N 295.383 1.800 0 50 CDAA CCc1cc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)ccn1 643718008 NUQFILATEMRNNF-MRXNPFEDSA-N 291.395 1.454 0 50 CDAA Cc1cnc(CN2CCC(Oc3ncc(C)cn3)CC2)nc1 653800805 SUPATVJZOGSFQA-UHFFFAOYSA-N 299.378 1.927 0 50 CDAA CCN(CC1CCOCC1)C(=O)c1c[nH]c(C)cc1=O 1506409975 BRPCAZKPIWCQJG-UHFFFAOYSA-N 278.352 1.572 0 50 CDAA O=C1N(Cc2ccccc2)CC2(OCCO2)C12CC2 215545525 FMTJFDZWLMPYOK-UHFFFAOYSA-N 259.305 1.552 0 50 CDAA COc1cc(-c2n(CC(=O)O)c(C)c(C)[n+]2[O-])ccc1O 1547211046 LLGRIJKYUJHXLP-UHFFFAOYSA-N 292.291 1.204 0 50 CDAA COc1cccnc1N(C)C(=O)c1c(C)noc1C 121364743 MOOBPFPSWCEEPV-UHFFFAOYSA-N 261.281 1.972 0 50 CDAA Cc1cccc(S(=O)(=O)N2CC[C@H](N)C2)c1Cl 237721777 DPQRSKLKPKVQAW-VIFPVBQESA-N 274.773 1.370 0 50 CDAA C=CC(=O)Nc1ccc(N2CCOCC2)c2nonc12 1875368399 OLWFIRFPWQSKDR-UHFFFAOYSA-N 274.280 1.184 0 50 CDAA Cc1cncnc1-c1noc([C@@H]2C[C@H](N)[C@H]3C[C@H]32)n1 1615059317 ZZFBRVZMRSKIGR-RGOKHQFPSA-N 257.297 1.286 0 50 CDAA NC[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]2C2CCC2)C1 1616030281 QLNOFFJOCWRUFG-RUZUBIRVSA-N 265.401 1.849 0 50 CDAA C[C@H]1CN(C(=O)c2ccccc2C(N)=O)C[C@]1(O)C1CC1 1616102781 DRXVCFKNUMLPBG-MGPLVRAMSA-N 288.347 1.019 0 50 CDAA CC(=O)N[C@H]1CCCN(c2ncnc3cc[nH]c23)C1 1772807479 XJVXKBLZWXWAQE-JTQLQIEISA-N 259.313 1.063 0 50 CDAA CCCNC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 5029931 RSFPMMSLRNJPPL-LBPRGKRZSA-N 250.273 1.845 0 50 CDAA Cc1ccc(OCCOCCN(C)CCO)cc1C 15659045 KZWQWZOKRIQCBN-UHFFFAOYSA-N 267.369 1.623 0 50 CDAA O=C(c1ccccc1)[C@H](O)n1nnc2ccccc21 15767492 BWIBYOKVTOYEQK-AWEZNQCLSA-N 253.261 1.805 0 50 CDAA Nc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 16972784 LUFHDRCQRFLCJO-MRVPVSSYSA-N 290.710 1.480 0 50 CDAA COc1ccc(CC(=O)NC2(C(=O)O)CCC2)c(OC)c1 164845155 OFLOARQWDNACAU-UHFFFAOYSA-N 293.319 1.370 0 50 CDAA N=c1[nH]nc(N2CCC(OCc3cccnc3)CC2)s1 1857671487 TXGUNEXYKJXUFC-UHFFFAOYSA-N 291.380 1.531 0 50 CDAA COc1cnc(C)cc1C(=O)NCc1nc2ncccc2o1 1857677230 ZQKHLPRKYZVZSN-UHFFFAOYSA-N 298.302 1.865 0 50 CDAA CN1CCO[C@H](Cn2ccnc2-c2ccc3c(c2)CCO3)C1 1857678070 AVSNMSFAKNUWNX-HNNXBMFYSA-N 299.374 1.816 0 50 CDAA O=C(N[C@H]1CCCNC1=O)c1cc(F)cc2ccoc12 821168386 YULPNCUMUWVUNK-NSHDSACASA-N 276.267 1.580 0 50 CDAA CC[C@H](NC(=O)C[C@H](C)c1ccccc1OC)C(=O)NC 408520582 MYKZQIWKIBQYBA-AAEUAGOBSA-N 292.379 1.830 0 50 CDAA C[C@H](CN1CCCCCC1)NC(=O)N1CC[C@@H](C)[C@@H]1CO 225513378 JLLDCPOUFIYUEK-KFWWJZLASA-N 297.443 1.663 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cncc(O)c1 328643511 RIFXOCVOECIMJI-NSHDSACASA-N 286.335 1.318 0 50 CDAA CCN1C[C@@H](c2nc(Cc3cccnc3)no2)CC1=O 328825346 HJCAZUDPQLNJAN-NSHDSACASA-N 272.308 1.391 0 50 CDAA CN1CC[C@]2(CCN(Cc3ccc(-n4cncn4)cc3)C2)C1 430130671 KTKMAUIWKSPIOD-KRWDZBQOSA-N 297.406 1.795 0 50 CDAA CO[C@]1(C)CCCN(C(=O)CCc2cnccn2)CC1 330079144 IMYYNHYUGRRULA-OAHLLOKOSA-N 277.368 1.827 0 50 CDAA CNCC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C 237208232 KFGJBIRJMUWXKN-ZWNOBZJWSA-N 282.771 1.848 0 50 CDAA O=C(CCCOc1ccc(F)cc1F)NC1(C(=O)O)CC1 238074526 WRJXCLVDDYXPGI-UHFFFAOYSA-N 299.273 1.857 0 50 CDAA CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1C[C@H]1C(=O)O 252425670 PCAFYULVSZXVJN-GMTAPVOTSA-N 291.303 1.006 0 50 CDAA C[C@@H]1CCCC[C@H]1OCCN[C@H]1CCc2ncnn2C1 257365869 XMNATQXWAPVZJM-HZSPNIEDSA-N 278.400 1.778 0 50 CDAA NC(=O)[C@@H](F)C1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 585128823 OFBAZQJYIOTDEQ-NHULGOKLSA-N 296.386 1.875 0 50 CDAA CC(C)c1ccoc1C(=O)N[C@H]1C[C@@H](C(=O)O)C1 262830480 BOJNMAKHZRUDFT-DTORHVGOSA-N 251.282 1.996 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)C1)c1cnn(-c2ccccc2)c1 263201063 JZOBEFRHNWDTHJ-KLPPZKSPSA-N 285.303 1.465 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1C(=O)C(F)=C1CCCC1 818378815 BQOPOYNTURQANV-HNNXBMFYSA-N 298.358 1.538 0 50 CDAA COc1cc(OC)nc(C(=O)Nc2cc(C)nc(C)n2)n1 906092725 JTCJQENCBFUFBX-UHFFFAOYSA-N 289.295 1.153 0 50 CDAA CCn1ncc(C(=O)NC[C@@H](C)CC(=O)O)c1C 909486835 JBMPHBLMIVDYOZ-QMMMGPOBSA-N 253.302 1.052 0 50 CDAA C[C@H](Oc1ccccc1Cl)C(=O)N1CCNC[C@@H]1C 125786491 YMKZAHPEWDCTOY-QWRGUYRKSA-N 282.771 1.928 0 50 CDAA CCNc1nc(C(=O)N2CCC[C@@H](OCCO)C2)cs1 186730829 NTPBTYOKSOQXEE-SNVBAGLBSA-N 299.396 1.188 0 50 CDAA CN1CCCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 301383593 DADJNBXHWPKOFH-IHRRRGAJSA-N 250.386 1.977 0 50 CDAA CC[C@@H](C(=O)O)N1CCCN(c2nccs2)CC1 191430076 MFFHIGXRPKNPMO-JTQLQIEISA-N 269.370 1.518 0 50 CDAA CCCCc1noc(CN2CCC(O)(C(=N)O)CC2)n1 330366425 QDZHBMFNDSWACE-UHFFFAOYSA-N 282.344 1.274 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(Cl)cc1F 629220487 HSDBNTDZZRYZLV-QWRGUYRKSA-N 273.691 1.359 0 50 CDAA OC[C@@]1(F)CCN(Cc2ccc3c(c2)CCO3)C1 338999202 PSWPWLNBWNHEMG-CQSZACIVSA-N 251.301 1.528 0 50 CDAA Cn1ccnc1CCN1CC[C@H](O)CC(C)(C)C1 395364874 YPCXKSDYQDOKOW-LBPRGKRZSA-N 251.374 1.446 0 50 CDAA O[C@H](CN1CCC[C@H]([C@H]2CCOC2)C1)c1cccnc1 828449538 WIMJUOURLQAHOZ-HRCADAONSA-N 276.380 1.864 0 50 CDAA Cc1ccc(CNc2nc(N)[nH]c3ncnc2-3)cc1F 746429862 MNSCJEHDRMKEKP-UHFFFAOYSA-N 272.287 1.946 0 50 CDAA Cc1ccnc(N2CCN(Cc3cc(C)[nH]n3)CC2)c1 1203077065 QLCOKYKVTNWMDB-UHFFFAOYSA-N 271.368 1.744 0 50 CDAA CC1=NN(C(=O)c2ccncc2)[C@@](O)(C(F)(F)F)C1 55010 LUNOATFAWFYRQG-JTQLQIEISA-N 273.214 1.554 0 50 CDAA CCN1C(=O)[C@](O)(Cc2ccncc2)c2ccccc21 4710690 UMZPTKBJKHHUKZ-INIZCTEOSA-N 268.316 1.878 0 50 CDAA COc1ccc(OC)c(-c2nc(N3CCOCC3)n[nH]2)c1 2100543509 SLWKAPJZXJLHAW-UHFFFAOYSA-N 290.323 1.326 0 50 CDAA COc1ccc(-c2nc(N3CCOCC3)n[nH]2)cc1F 2100556897 UYOOGEKPPTZDCV-UHFFFAOYSA-N 278.287 1.456 0 50 CDAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)c1coc(C2CCC2)n1 2325784464 IXSJCSVQROVBLW-WPRPVWTQSA-N 296.348 1.631 0 50 CDAA Oc1n[nH]c(CN2CC[C@H](C3Cc4ccccc4C3)C2)n1 2325793521 YHNUHNRSRCRDIN-ZDUSSCGKSA-N 284.363 1.747 0 50 CDAA Cc1cc(C2CCN(C(=O)c3cc(=O)n(C)o3)CC2)on1 2325817922 FJXVWXJWZRRJIC-UHFFFAOYSA-N 291.307 1.295 0 50 CDAA O=C(Cc1ccncc1)N1CCC[C@@]2(CCOC2)C1 1857689117 GASTULZQXYUGJV-OAHLLOKOSA-N 260.337 1.653 0 50 CDAA O=C(O)CSCC(=O)N1CCCc2ccccc21 157732 WKUGHBQRVZVCHZ-UHFFFAOYSA-N 265.334 1.784 0 50 CDAA CCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1 1056856 GLXUYTRILRDJMI-UHFFFAOYSA-N 275.308 1.814 0 50 CDAA O=C(CSc1nc2ccccc2s1)NCCO 1607792 BYWOWCXZNUQHDC-UHFFFAOYSA-N 268.363 1.497 0 50 CDAA O=C(c1cncc(O)c1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356161846 MLNCHRXMSJYZJP-MRXNPFEDSA-N 298.346 1.631 0 50 CDAA O=C(Cc1ccccc1)NCC(=O)N1CCCCCC1 2868681 PFXIHYHFJCTHHS-UHFFFAOYSA-N 274.364 1.748 0 50 CDAA O=C(Nc1ccc(F)cc1)C(=S)N1CCOCC1 4832260 FWIWSWFCYYHMSR-UHFFFAOYSA-N 268.313 1.424 0 50 CDAA COc1cc(CO)c(Br)cc1OCC(=O)O 4978208 FRKAEXZOTDLKRG-UHFFFAOYSA-N 291.097 1.413 0 50 CDAA Cc1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 6703637 HXGFAGVDCSQETL-GFCCVEGCSA-N 296.392 1.605 0 50 CDAA C[C@@H](NS(=O)(=O)c1cccs1)[C@H]1CCCO1 6727729 QVFXCIKTKNNRPY-RKDXNWHRSA-N 261.368 1.594 0 50 CDAA C[C@@H](C(=O)N1CCN(C)C[C@H]1c1ccccc1)n1ccnc1 225238141 WUKBSKFTDHRESL-HOCLYGCPSA-N 298.390 1.959 0 50 CDAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccnc(F)c1 225467044 BAUNSMSVJSCNBL-GFCCVEGCSA-N 274.251 1.776 0 50 CDAA O=C([C@H]1CC12CC2)N(CCO)Cc1ccccc1F 102536490 XVEXEFCUUBGREN-GFCCVEGCSA-N 263.312 1.947 0 50 CDAA O=C(COc1ccc(F)cc1F)N1[C@H]2CC[C@H]1CC(O)C2 111385733 ATBGWZVMVXRECM-QWRGUYRKSA-N 297.301 1.858 0 50 CDAA C[S@](=O)C1(CNC(=O)c2ccnc3ccccc23)CC1 225673374 VAWYCHFNDGGPRM-FQEVSTJZSA-N 288.372 1.876 0 50 CDAA CCOC(=O)NCCC(=O)N[C@H]1CCCC12CCOCC2 225738341 QAJXDHJFMCHABD-LBPRGKRZSA-N 298.383 1.588 0 50 CDAA CC(=O)N1CCN([C@@H](C)Cc2ccccc2F)CC1 23280556 GUYOQIIHKKMFIT-LBPRGKRZSA-N 264.344 1.921 0 50 CDAA C=C1[C@H]2[C@H]3C[C@H](C)[C@@]1(C)CC[C@]2(C(=O)O)C(=O)O3 104301426 GNAQPVHPSZVQIK-KGQIISRVSA-N 250.294 1.995 0 50 CDAA C[C@H](NC(=O)c1ccc2nc(O)[nH]c2n1)C1CCOCC1 419930802 YYVABZKYROQRAK-QMMMGPOBSA-N 290.323 1.208 0 50 CDAA Cc1cc(N2CCN(C)[C@@H](C(=O)O)C2)nc2ccccc12 106705251 RVXZCENMNLQRKV-CQSZACIVSA-N 285.347 1.748 0 50 CDAA C[C@]1(C(=O)O)CCCC[C@@H]1NC(=O)N1CCOCC1 135565962 QGHMKKVEAXGWJN-GWCFXTLKSA-N 270.329 1.062 0 50 CDAA C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H]1C[C@H]2CC[C@H]1C2 248849829 DVHZLLGYVNNNHJ-KZZRWZIVSA-N 273.398 1.360 0 50 CDAA O=C1Nc2ccccc2[C@@H]1[C@]1(O)C(=O)Nc2ccc(F)cc21 101015490 GWARABSOJONSBW-BBRMVZONSA-N 298.273 1.701 0 50 CDAA Cc1ccc(NC(=O)N/C=C2/SC(=O)NC2=O)cc1 100844781 QPCLZOUIRDMIIB-RMKNXTFCSA-N 277.305 1.941 0 50 CDAA c1cnc2cc(CN3CCc4nncn4CC3)ccc2n1 20773858 RCSKTKRMKAKVNA-UHFFFAOYSA-N 280.335 1.280 0 50 CDAA Cn1cc(CC(=O)N[C@@H]2CCCN(c3ccccc3)C2)cn1 115103337 ZLDPWYSXOVKZGF-OAHLLOKOSA-N 298.390 1.748 0 50 CDAA CC[C@@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 65363433 OMGASQZNOYJLBI-LLVKDONJSA-N 298.408 1.919 0 50 CDAA Cc1nc(C)c(C(=O)NCCN2C[C@H](C)O[C@@H](C)C2)s1 20820290 NZZCTOJTOWLVBD-UWVGGRQHSA-N 297.424 1.599 0 50 CDAA CCn1ncc(C(=O)N(CCO)Cc2nccs2)c1C 65493200 LIOAIUSFAYMQFP-UHFFFAOYSA-N 294.380 1.303 0 50 CDAA CC1(C)C[C@@H](NC(=O)NCc2ccc(C(N)=O)o2)CCO1 119466751 JSFHSSDVJIQVSR-VIFPVBQESA-N 295.339 1.135 0 50 CDAA CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NCCc1ccc(C)o1 20542275 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294.351 1.876 0 50 CDAA Cc1cc(N2C[C@H](O)[C@@H](OC(C)C)C2)n2nc(C)cc2n1 72410772 QFZUQXXQPWDXQJ-STQMWFEESA-N 290.367 1.321 0 50 CDAA CN(Cc1cnn(C)c1)c1cc(C2CC(O)C2)ncn1 219611187 NBNZSFIKKOBIAC-UHFFFAOYSA-N 273.340 1.085 0 50 CDAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(C(=O)O)nc1 236771176 BGWOLRXDOLQJEE-WCQGTBRESA-N 290.319 1.323 0 50 CDAA c1nc(N2CC[C@H]([C@@H]3CCOC3)C2)c2cc[nH]c2n1 372723427 BOJLTQKOYXWKBZ-WDEREUQCSA-N 258.325 1.821 0 50 CDAA O[C@@H]1CCC[C@H]1[C@H]1COCCN1CCOc1ccccc1 284627976 BISRDOJKNMCJOT-GVDBMIGSSA-N 291.391 1.927 0 50 CDAA CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H](c1ccncc1)C(C)C 339346002 JSWZJSWBBFXRSB-TZMCWYRMSA-N 291.395 1.804 0 50 CDAA C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)O)Oc1ccccc1F 262384127 IXKHWWLNKNHNMO-BBBLOLIVSA-N 281.283 1.430 0 50 CDAA CNC(=O)c1ccc(N2CC[C@H](Cc3ccncc3)C2)nn1 374682191 YORHQWYTVROYGS-CYBMUJFWSA-N 297.362 1.300 0 50 CDAA Cn1cc([C@@H]2C[C@H]2C(=O)NOCc2ccc(F)cc2)cn1 374948399 NVBPAIKTUCECCK-UONOGXRCSA-N 289.310 1.911 0 50 CDAA CC(C)[C@H](NC(=O)CCCN1CCCC1)c1ncnn1C 219311839 GYXIASRXNNGWOW-AWEZNQCLSA-N 293.415 1.504 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)Cc1cnn(-c2ccccc2)c1 238069528 RUUNPJTUWFKROA-AWEZNQCLSA-N 299.330 1.490 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@](O)(CO)CC2)ccc1O 72167303 VJPXIDUDYZMPBK-HNNXBMFYSA-N 279.336 1.050 0 50 CDAA Cc1nc(C2CCN(C(=O)[C@@H](O)CC(C)C)CC2)no1 216459388 RAABROVDOJYPGA-LBPRGKRZSA-N 281.356 1.491 0 50 CDAA Cc1nnnn1CCC(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 77379482 WTFHLVXOJGJYKP-SRVKXCTJSA-N 263.345 1.067 0 50 CDAA CCc1nn(C)c2c1C(c1ccccc1)=NCC(=O)N2C 71771627 PWLKZTJZBOTIHV-UHFFFAOYSA-N 282.347 1.796 0 50 CDAA CC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC12CCCC2 336275023 SQDRLORTVHWCOW-QWRGUYRKSA-N 268.382 1.357 0 50 CDAA Cc1cc(C)cc(OCC(=O)NC2CCN(C)CC2)c1 47829390 QCSLESGIBXAYIT-UHFFFAOYSA-N 276.380 1.893 0 50 CDAA C[C@H]1CN(C[C@@H](C)CN2C[C@H](C)O[C@H](C)C2)C[C@H](C)O1 241884821 SYBPFBQJBJGVKB-QMHWVQJVSA-N 284.444 1.841 0 50 CDAA Cc1ccc(OCCC(=O)N2CC[C@@H](CN)C2)cc1C 178586381 QIQUDMURCHVSCC-AWEZNQCLSA-N 276.380 1.880 0 50 CDAA CN1CCC(CCC(=O)NCCc2cc[nH]n2)CC1 426620240 NUSRRMBEJRMAIG-UHFFFAOYSA-N 264.373 1.190 0 50 CDAA O=C(NCCOCc1ccccc1)[C@H]1CC12CCNCC2 96162931 AFMPXQBANRBHBP-OAHLLOKOSA-N 288.391 1.709 0 50 CDAA C[C@@H](Cn1cncn1)NC(=O)Nc1ccc2c(c1)CCC2 96162387 ITWWCTMTTXIFDX-NSHDSACASA-N 285.351 1.977 0 50 CDAA COc1ccc(NC(=O)NCCCc2ncc[nH]2)cn1 96132379 OGYQGFNHXYFDCM-UHFFFAOYSA-N 275.312 1.568 0 50 CDAA COc1ccnc(C(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1 426361289 NFHASVSUUVWSMQ-VIFPVBQESA-N 288.351 1.932 0 50 CDAA CCCCn1nc(C2CC2)nc1CCN1CCN(C)CC1 96137952 GYHHXGQGOARLJT-UHFFFAOYSA-N 291.443 1.746 0 50 CDAA CCCn1cnc2cc(NC(=O)N(C)CCO)ccc21 96132342 HGRRYNCHZGLYHX-UHFFFAOYSA-N 276.340 1.902 0 50 CDAA CNC(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)n1 426435478 ZHSZUUFVGYRKLU-UHFFFAOYSA-N 290.344 1.512 0 50 CDAA FC1(F)[C@@H]2[C@H]3O[C@@H]([C@H]4[C@H]3[C@H]3C=C[C@H]4O3)[C@@H]2C1(F)F 238899909 HGNFEDIMSWVEKW-PBIVROILSA-N 262.202 1.854 0 50 CDAA CCC[C@@H]1CN(C(=O)C(=O)c2cccn2C)C[C@H]1N(C)C 95506451 YZMBGEUDTKBEBD-TZMCWYRMSA-N 291.395 1.397 0 50 CDAA Cc1nc([C@H](C)Nc2nc3c(s2)c(C)nn3C)n[nH]1 95498525 KLINHGTXYFZEFY-LURJTMIESA-N 277.357 1.938 0 50 CDAA COC[C@]1(O)CCN(Cc2cc(C3CC3)n[nH]2)CC1(C)C 91932577 LWQMKCMGWGAKAV-MRXNPFEDSA-N 293.411 1.897 0 50 CDAA Cc1noc(C)c1Cn1cnc2ncccc2c1=O 144002361 DXBCHUGOSYRSFV-UHFFFAOYSA-N 256.265 1.445 0 50 CDAA CCN1CCC(CC(=O)N[C@H](C)c2ncnn2CC)CC1 95387853 IDRMNYVLFBSWSD-GFCCVEGCSA-N 293.415 1.597 0 50 CDAA COc1cc(CC(=O)N(C)CCN(C)C2CC2)ccc1O 294880608 BXHDGLUBLWGBMW-UHFFFAOYSA-N 292.379 1.496 0 50 CDAA CCOC(=O)c1nnc(I)s1 238285724 RKKBVIOXRTUAGQ-UHFFFAOYSA-N 284.078 1.319 0 50 CDAA CCc1cc(C(=O)N2CC(c3ccccn3)C2)cc(=O)[nH]1 97743085 KIKBQISSSYPUPH-UHFFFAOYSA-N 283.331 1.572 0 50 CDAA CN1CCN2CCN(C(=O)C/C=C/c3ccccc3)C[C@H]2C1 248160371 XENJWNKWNLJGSA-ZGRWHYIRSA-N 299.418 1.548 0 50 CDAA CN1C[C@H](C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1=O 246742153 IUJXILVMXUVTNM-QJPTWQEYSA-N 250.342 1.256 0 50 CDAA COCCN1C[C@@H](Cc2ccc3c(n2)CCCC3)CC1=O 244633113 FWUGNHFPSCZKRY-ZDUSSCGKSA-N 288.391 1.998 0 50 CDAA COc1ccc2cc(NC(=O)CCn3cnnn3)cnc2c1 524734700 FDRVYUGOCFSHTI-UHFFFAOYSA-N 298.306 1.259 0 50 CDAA CCC[C@@H](NC(=O)N(C)Cc1cc[nH]n1)c1nccn1C 534668924 QBKPCUQJCLGIMH-GFCCVEGCSA-N 290.371 1.826 0 50 CDAA CC(C)[C@H](CNC(=O)c1ccc(O)c(F)c1)N(C)C 534577367 FWNHPSRNZCLUKT-LBPRGKRZSA-N 268.332 1.847 0 50 CDAA C[C@@H]1CC[C@@H](C)N1Cc1cnc(NCC(=O)O)nc1 534643465 URBQCXOFUJPNCH-NXEZZACHSA-N 264.329 1.346 0 50 CDAA Cc1onc(C(=O)NCc2cc(C(C)C)on2)c1CO 534652183 UQENCAIDDNEISF-UHFFFAOYSA-N 279.296 1.517 0 50 CDAA CC(C)[C@H]1C=CCN1Cc1cnc(NCC(=O)O)nc1 534648664 MDUVLFRCNKRYAX-GFCCVEGCSA-N 276.340 1.370 0 50 CDAA CC(C)C[C@@H](C(=O)NCc1ncn(C)n1)n1cccc1 575443972 GHQOCTMJNCACHZ-LBPRGKRZSA-N 275.356 1.520 0 50 CDAA Cc1cc(C(=O)N[C@H](C)Cc2cccnc2)nc(C)n1 821809915 CJXLPUIGSGWECU-SNVBAGLBSA-N 270.336 1.849 0 50 CDAA CSCC[C@@H](C(=O)NCc1nc(C)no1)n1cccc1 575443941 AIQRUYGHNIQABJ-NSHDSACASA-N 294.380 1.790 0 50 CDAA COCCn1ccnc1CN(Cc1noc(C)n1)C(C)C 824466311 PCPKJUCDAUGKGL-UHFFFAOYSA-N 293.371 1.632 0 50 CDAA C[C@]1(C(N)=O)CCCN(Cc2nc(C(F)(F)F)no2)C1 826828710 QMXTUKKQIIWGGH-JTQLQIEISA-N 292.261 1.176 0 50 CDAA CN1CCCC[C@@H]1CCNS(=O)(=O)CC1CCCC1 823778011 YPQGNSVAYZIYBF-CQSZACIVSA-N 288.457 1.970 0 50 CDAA Cc1cccc([C@H](NC(=O)C2CC(=O)C2)C2CC2)n1 584894555 VCEPOZZTYAMHAX-CQSZACIVSA-N 258.321 1.936 0 50 CDAA Cn1ccnc1C(=O)N[C@H]1CCc2ccccc2C1 741259695 KRCMUASTMDCQNN-ZDUSSCGKSA-N 255.321 1.707 0 50 CDAA COc1cc(C(=O)N(C)c2ccc(O)c(C)c2)nn1C 863982063 RFHFYQLCZYEUBB-UHFFFAOYSA-N 275.308 1.719 0 50 CDAA CCc1ccc(CN2CC[C@@]3(C2)CN(C)C(=O)CO3)s1 670436561 NKADZPOLOXXYLY-HNNXBMFYSA-N 294.420 1.744 0 50 CDAA C=CC(=O)NCCc1ccc(OCc2nccn2C)cc1 1875376345 TYIYLNUATBZZPY-UHFFFAOYSA-N 285.347 1.844 0 50 CDAA Cn1nc(C(=O)Nc2cccnc2)cc1[C@H]1CCCO1 1875319026 OLXDTQDCIIYTEA-CYBMUJFWSA-N 272.308 1.919 0 50 CDAA Cc1ocnc1CNCc1ccc2c(c1)nnn2C 1875284664 FGWBGSVOWZSDLT-UHFFFAOYSA-N 257.297 1.555 0 50 CDAA Cc1nc([C@H]2CCCNC2)sc1C(=O)N[C@@H](C)C(=O)O 1875291228 RVQIZYSRGSHBJZ-IUCAKERBSA-N 297.380 1.121 0 50 CDAA O=c1cc(CN2CCCc3ncccc3C2)[nH]c2ccnn12 1875268412 GWYBOESNGCJYHL-UHFFFAOYSA-N 295.346 1.366 0 50 CDAA CN1CCn2ncc(CN[C@H]3CC(C)(C)OC3(C)C)c2C1 952889688 JUEVSMHKBQFTAC-AWEZNQCLSA-N 292.427 1.764 0 50 CDAA Cc1ncsc1CC(=O)N=c1cc([C@H]2C[C@H]2C)[nH][nH]1 1875322959 PUJGMEDVHXBMLR-APPZFPTMSA-N 276.365 1.901 0 50 CDAA CNC[C@@H](C)CNC(=O)c1cnc2[nH]cc(C)c2c1 1875319767 QXYMQKSKUBZHRE-SECBINFHSA-N 260.341 1.457 0 50 CDAA CC1CCC(OCC(=O)N[C@](C)(C(=O)O)C2CC2)CC1 877871409 PDZAIFJIVDHULT-QHAMSDLMSA-N 283.368 1.951 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC(=O)c2c[nH]c(C)cc2=O)n1 952976901 PWTDYMKKUSYRCZ-NSHDSACASA-N 288.351 1.315 0 50 CDAA CC[C@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)C(=O)O 952987850 GWXWHZNMRMXJKO-VIFPVBQESA-N 266.297 1.427 0 50 CDAA O=C(CN1CCCCCC1)N1CCC[C@@H](c2nc[nH]n2)C1 952991786 SOOWSMGOIAUFPX-CYBMUJFWSA-N 291.399 1.387 0 50 CDAA COc1ccc(NC(=O)C[C@H](C)CC(=O)O)nc1 1332008034 SYLISKOAMGVIAP-QMMMGPOBSA-N 252.270 1.530 0 50 CDAA CC(C)c1nccnc1NC[C@@H]1CCO[C@@H]1c1nc[nH]n1 1775957887 REQWANHJCVDZFM-JQWIXIFHSA-N 288.355 1.908 0 50 CDAA Cc1cc(C)n2ncc(C(=O)N3CCOCC34CC4)c2n1 1776002143 AVZIVPMVJYNZGY-UHFFFAOYSA-N 286.335 1.351 0 50 CDAA O=C(O)c1[nH]c2ccccc2c1CCNC(=O)[C@@H]1C[C@@H]1F 1776003170 DOLJCDNIQINVPZ-MNOVXSKESA-N 290.294 1.883 0 50 CDAA CN(C[C@@H](O)c1cccnc1)c1ncncc1Cl 895937980 ZBXYDFONHYBPOD-LLVKDONJSA-N 264.716 1.695 0 50 CDAA Cc1nc2ccc(C(=O)N[C@H]3COCC[C@@H]3O)cc2s1 1565525954 FWCAPOYFNMLFMT-RYUDHWBXSA-N 292.360 1.484 0 50 CDAA Cc1cncnc1N1CCN[C@H](c2ccc(O)cc2)C1 1364232302 FOXKQFFYPNRAHO-AWEZNQCLSA-N 270.336 1.642 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CO[C@@H](C(=O)O)C2)C1 91303348 XWLXLEQWTDDMRL-QMTHXVAHSA-N 285.340 1.877 0 50 CDAA in-vitro C[C@@H]1C[C@@H](C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)CO1 408413865 WLDJLDNENRXZOX-KGYLQXTDSA-N 288.347 1.102 0 50 CDAA CNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 748695785 ZLVJCOWKOIHEQP-UHFFFAOYSA-N 288.756 1.094 0 50 CDAA COc1cc(C)c(NC(=O)[C@@](C)(OC)C(=O)O)cc1F 663052865 XYTMLSJTCFTLDO-CYBMUJFWSA-N 285.271 1.571 0 50 CDAA COc1cc(C(=O)N[C@H](CCO)c2cccs2)on1 764245333 QHZOBDUPNWKMSL-MRVPVSSYSA-N 282.321 1.598 0 50 CDAA Cn1nccc1CN1C[C@@H](C(=O)O)[C@@H](c2ccccc2)C1 581949289 WFIBSYRTIIMSIH-HUUCEWRRSA-N 285.347 1.720 0 50 CDAA CN(C)C(=O)c1cc(N2CCC(n3ccnc3)CC2)ccn1 732567789 BQNDACYJNPLWBT-UHFFFAOYSA-N 299.378 1.821 0 50 CDAA CN(Cc1ccc2ncccc2c1)C(=O)c1cnn[nH]1 1506401488 FHRINNALHIYEDB-UHFFFAOYSA-N 267.292 1.625 0 50 CDAA CN(Cc1nc2ccc(F)cc2[nH]1)c1cc(O)ncn1 1529186361 XSWKXEOCGBPNOC-UHFFFAOYSA-N 273.271 1.834 0 50 CDAA Cc1cc(=O)oc2cc(OCC(N)=O)c(Cl)cc12 134012 GFTCDDIZZAINDU-UHFFFAOYSA-N 267.668 1.619 0 50 CDAA Cc1ccn2c(C(=O)N[C@H]3CC[C@H](N)C3)c(C)nc2c1 212968502 PROOOUVZPUMOEU-RYUDHWBXSA-N 272.352 1.561 0 50 CDAA CC(C)[C@](C)(O)CNC(=O)c1n[nH]c2c1CCC2 331459564 UYLVRPNQDNCWBX-CYBMUJFWSA-N 251.330 1.035 0 50 CDAA N=c1[nH]cncc1C(=O)OCC[C@H]1C[C@H]2CC[C@H]1C2 1875255703 YMOXNLPQTYTDQB-DCAQKATOSA-N 261.325 1.872 0 50 CDAA Cc1nc[nH]c1CN1C[C@@H](C(=O)O)C2(CCOCC2)C1 1800407933 AGHIDAYIKPNSAH-NSHDSACASA-N 279.340 1.031 0 50 CDAA Cc1cc(=O)cc(O)n1C[C@H](O)c1ccc(O)cc1 1547206077 XEUXRFIWYLNOQH-ZDUSSCGKSA-N 261.277 1.302 0 50 CDAA CO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 858433 QTKIDUARYKGAAQ-QWHCGFSZSA-N 269.366 1.923 0 50 CDAA Cn1nc(C2CC2)cc1CNC(=O)[C@H]1NCC12CCCC2 1615548182 QZAJPJYJLCDWSI-CQSZACIVSA-N 288.395 1.446 0 50 CDAA CCc1nc(O)c(C(=O)NC2CC3(C2)C[C@@H]3N)cc1C 1615546952 QJAZRQLOLORXLH-RHJSQNMRSA-N 275.352 1.268 0 50 CDAA COc1cc(C(=O)OC[S@](=O)O)cc(OC)c1OC 1772718401 BKTOEIQRPKYECU-UHFFFAOYSA-N 290.293 1.048 0 50 CDAA CCn1ccnc1CN(C)C[C@@H]1CCC(=O)N(C)C1 1775983188 IJESYFKLPCUUEP-LBPRGKRZSA-N 264.373 1.203 0 50 CDAA Cc1noc(C)c1CN1C(=O)COc2ccc(N)cc21 11569013 HQKQLVPYBREXQZ-UHFFFAOYSA-N 273.292 1.799 0 50 CDAA Cc1ccc(NC(=O)c2cc(=O)[nH]c(O)n2)cc1C 16578840 LWLFUDTYIKJMOI-UHFFFAOYSA-N 259.265 1.345 0 50 CDAA CCc1noc(C)c1C(=O)NC1CCN(C)CC1 16605609 YDTHZVPUKSHZIB-UHFFFAOYSA-N 251.330 1.369 0 50 CDAA Cc1ccccc1NC(=O)C[C@H]1SC(=N)NC1=O 18122865 DQAFMCGNQFMKOC-SECBINFHSA-N 263.322 1.490 0 50 CDAA COCCN1C[C@@H](c2ncc(-c3cccnc3)[nH]2)CC1=O 19147598 DYZNXMGPXQTFNN-LBPRGKRZSA-N 286.335 1.434 0 50 CDAA O=C(NCCCN1CCOCC1)c1cccc(F)c1 19535671 ZDCOACRGBXJCBP-UHFFFAOYSA-N 266.316 1.278 0 50 CDAA CN(CCN(C)c1ccccc1)C(=O)c1cc(O)nn1C 1857529040 DQMNTAPCWIXZRO-UHFFFAOYSA-N 288.351 1.334 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCC1(O)CCC1 1857529378 DOBJJIYKKHCFCJ-ZJUUUORDSA-N 293.367 1.087 0 50 CDAA Nc1cncc(N2CCC(Cn3cccn3)CC2)n1 1857674308 CQEBWYOMBPVXNU-UHFFFAOYSA-N 258.329 1.172 0 50 CDAA Cc1nsnc1C(=O)N[C@@H](C)c1cnn(C)c1 1857681932 DVXBPLYIYHSSOA-LURJTMIESA-N 251.315 1.071 0 50 CDAA Cc1nc(N2CC[C@@H]3NCCC[C@@H]3C2)c2cnn(C)c2n1 1857673170 KOHWIVUCVGOVFB-YPMHNXCESA-N 286.383 1.250 0 50 CDAA Cc1ncsc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1857725314 PUMIISZLJVZSQE-LSJOCFKGSA-N 281.381 1.043 0 50 CDAA CCO[C@H]1COC[C@@H]1n1ccnc1-c1cccn(C)c1=O 1857731679 WSPFLJPBEKLENQ-STQMWFEESA-N 289.335 1.225 0 50 CDAA CN1Cc2cc(-c3cnc4cccnn34)ccc2C1=O 1875249371 YWZRFYJNMQSZQT-UHFFFAOYSA-N 264.288 1.982 0 50 CDAA O=C1NCC[C@@H]1n1ccnc1-c1ccc(Cl)o1 1875242517 WHXSMRQBFBWABP-ZETCQYMHSA-N 251.673 1.858 0 50 CDAA CC(C)(C)OC(=O)N1CCN(CCC(=O)O)CC1 2577007 WGQDOZLISKTFIH-UHFFFAOYSA-N 258.318 1.014 0 50 CDAA in-vitro COc1cc(C)c(C(=O)N2CC[C@@H](N)C2)cc1OC 237281296 MSHUDAGKRWTCDX-SNVBAGLBSA-N 264.325 1.185 0 50 CDAA N[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 132369041 TYTNKLLLPXSWPL-CQSZACIVSA-N 292.354 1.434 0 50 CDAA COc1cc(/C=C2\SC(=N)NC2=O)cc(OC)c1OC 16692655 SLOUYQLTHPOCFM-POHAHGRESA-N 294.332 1.851 0 50 CDAA C[C@@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1cccc(Cl)c1 262144118 SJULZCQJIBANKZ-SKDRFNHKSA-N 297.738 1.756 0 50 CDAA C[C@@]1(CNC(=O)NC[C@H]2CCn3ccnc3C2)CCCO1 583622867 OBESXWRZWUJGRT-WFASDCNBSA-N 292.383 1.314 0 50 CDAA CCn1ccnc1C(=O)N1Cc2ccccc2[C@@H](C(=O)O)C1 909422063 DNTRBUSSKNABCI-ZDUSSCGKSA-N 299.330 1.727 0 50 CDAA NCc1nnc(N2CC=C(c3ccccc3)CC2)o1 1772710450 AOGFJSBYBUMVGB-UHFFFAOYSA-N 256.309 1.822 0 50 CDAA Cc1cnn2cc(I)cnc12 1857783372 ITKOBRLJFIMXJE-UHFFFAOYSA-N 259.050 1.642 0 50 CDAA OCc1cc(N2CCC(c3cn[nH]c3)CC2)ccn1 858379730 JKITZCOMOHDDFV-UHFFFAOYSA-N 258.325 1.681 0 50 CDAA C[C@@H](CN(C(=O)c1cccn1C)C1CC1)C(=O)O 225552969 CUWVHPNDDMTJPG-VIFPVBQESA-N 250.298 1.350 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)ccc1F 129376744 AQCCNGQGZDYTMB-NSHDSACASA-N 281.283 1.450 0 50 CDAA COc1cccc(CCC(=O)N2CC[C@H](N)C[C@H]2C)c1 237375030 VCKLFEXGHHJYGI-OCCSQVGLSA-N 276.380 1.966 0 50 CDAA NCCCOC1CCN(C(=O)[C@H]2C[C@H]2C2CC2)CC1 162255043 LXDLGKMGMPMLBH-KBPBESRZSA-N 266.385 1.389 0 50 CDAA CCNC(=O)NC(=O)CN1CCCc2ccccc2C1 171594535 RCBJASMHLAWSIQ-UHFFFAOYSA-N 275.352 1.281 0 50 CDAA COC(=O)c1ccc([C@H]2CC(=O)Nc3c2c(C)nn3C)cc1 72115891 UUWWHLLRHWEZIQ-GFCCVEGCSA-N 299.330 1.989 0 50 CDAA O=C([C@@H]1C=CCN1)N1CC=C(c2ccccc2)CC1 534659555 VYRSVBMOFWNCSE-HNNXBMFYSA-N 254.333 1.830 0 50 CDAA O=C(NC[C@@H]1CCn2ccnc2C1)c1ccncc1 583614995 KKNUUVHXGDJYLX-LLVKDONJSA-N 256.309 1.271 0 50 CDAA CNc1ncccc1C(=O)N(C)CC(C)(C)CO 584893842 QYQQSODWVRIQCL-UHFFFAOYSA-N 251.330 1.214 0 50 CDAA CC(=O)c1cc(C(=O)N2CCC[C@H](O)CC2)n(C)c1 393207116 INALDEQWLXAYKH-LBPRGKRZSA-N 264.325 1.215 0 50 CDAA Cc1cc(C)n([C@@H]2CCN(c3ncc4ncn(C)c4n3)C2)n1 2100544713 GNKRJMGXTWYKLC-GFCCVEGCSA-N 297.366 1.628 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1C[C@]23CCC[C@@]2(COC3)C1 2325827339 CLWSYOFFSPXDGX-XIRDDKMYSA-N 286.375 1.716 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)c2cccn3nccc23)C1(C)C 879115870 MVIZUAKPEFQCEB-QWHCGFSZSA-N 273.336 1.878 0 50 CDAA CS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2O)C1 245338709 NYTATNGMUMIOOE-WHOHXGKFSA-N 272.414 1.873 0 50 CDAA COC(=O)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 149604585 ZBESKVIRYNQXCD-UTLUCORTSA-N 255.314 1.947 0 50 CDAA Cc1sc2nc(C)n(NC(N)=O)c(=O)c2c1C 126486 TZCHGGGYEVLZDU-UHFFFAOYSA-N 252.299 1.005 0 50 CDAA CC(=O)Oc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 442355 MKFDXHQPGHPYCC-UHFFFAOYSA-N 298.298 1.963 0 50 CDAA Cc1cc(Br)cc2c1NC(=O)C21OCCO1 3043488 YRQDYOLPEXIOFA-UHFFFAOYSA-N 284.109 1.909 0 50 CDAA COC(=O)Cc1ccc(OC)c(CSC(=N)N)c1 4598926 DQVWCSYNLNEQBR-UHFFFAOYSA-N 268.338 1.537 0 50 CDAA CCCCn1c(N)c(N=O)c(=O)n(CCCC)c1=O 4797512 PXMMTJQTHPZPJP-UHFFFAOYSA-N 268.317 1.590 0 50 CDAA in-vitro COc1ccc(S(=O)(=O)NCc2ccccn2)cc1F 4999580 FEZGAJCMYOPANP-UHFFFAOYSA-N 296.323 1.708 0 50 CDAA CCN(CC)S(=O)(=O)c1csc(C(=O)NC)c1 6680422 YXIDZBZZAKFHKK-UHFFFAOYSA-N 276.383 1.138 0 50 CDAA Cc1cnn(C[C@@H]2CN(CCNC(C)(C)C)CCO2)c1 414696473 PKAAWTJXJPWQHS-AWEZNQCLSA-N 280.416 1.280 0 50 CDAA Cn1nccc1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 114136512 UZNAUJKUFMZAAU-ZDUSSCGKSA-N 286.335 1.641 0 50 CDAA NC(=O)[C@@H](c1ccccc1)N1CCCC[C@H]1Cn1cccn1 247707050 FTRHOVFPOKCKAD-JKSUJKDBSA-N 298.390 1.964 0 50 CDAA CCN1CCN(CCNC(=O)Nc2ccccc2C)CC1 20153991 FPBAASCUDISVGH-UHFFFAOYSA-N 290.411 1.754 0 50 CDAA CN1C(=O)[C@H]2CC[C@@]1(C)[C@H]1CC[C@@]2(C)N(C)C1=O 104276466 HMMZWOVKKJQDQE-IOQCUFBNSA-N 250.342 1.254 0 50 CDAA COCC1(NC(=O)[C@H](C)N2CCCC2=O)CCCC1 67723769 OOJZLNJRSORMQI-NSHDSACASA-N 268.357 1.073 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N(C)C[C@@H]1CCCO1 117781836 VUGOZBXNBQMDLL-AAEUAGOBSA-N 264.325 1.486 0 50 CDAA CC(C)N(C(=O)N1CCC2(CC1)CNC(=O)C2)C(C)C 65383249 FDVKYCNDJKOBPP-UHFFFAOYSA-N 281.400 1.827 0 50 CDAA CC(C)C[C@@H](NC(=O)c1cnc[nH]c1=O)c1cccnc1 71498320 ZVZKLBHPMDRNCS-CYBMUJFWSA-N 286.335 1.682 0 50 CDAA O=C1c2cccnc2CN1[C@H]1COC[C@@H]1N1CCCCC1 65371306 XWIWMQOEZMGSFQ-GJZGRUSLSA-N 287.363 1.291 0 50 CDAA CCc1cc(N2CCC[C@@H]2[C@H]2COCC[C@@H]2O)nc(C)n1 253397469 VEZONIJNJDZPJE-KFWWJZLASA-N 291.395 1.714 0 50 CDAA COC(=O)c1ccc(CN2C[C@H](C)S(=O)[C@@H](C)C2)nc1 253417409 BEWIJXCETDBBTQ-QWRGUYRKSA-N 296.392 1.210 0 50 CDAA O=C([C@@H]1CCc2nncn2C1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 329347050 RRIAWGOGXNHTHP-ODXJTPSBSA-N 286.379 1.345 0 50 CDAA CC(C)C[C@@H](CO)N(C)C(=O)c1cn2ccnc2s1 331405139 OINVYEPJHAGCSD-JTQLQIEISA-N 281.381 1.875 0 50 CDAA CC[C@@H]1[C@H](NC(=O)c2csnc2N)[C@@H]2CCO[C@@H]21 219287458 UIHQSSFEGOSBSS-GOZTYBTRSA-N 267.354 1.269 0 50 CDAA C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2ccnn2)CC1 332314092 UGTGFHJIOPSUCI-AWEZNQCLSA-N 299.378 1.184 0 50 CDAA Cc1ccc(O)c(CN2CCC[C@]23CCOC3=O)n1 375288249 LIFZKDDYXNDZMT-CQSZACIVSA-N 262.309 1.377 0 50 CDAA CC(=O)NCC1CCN(c2ncnc(C)c2C)CC1 77377513 SDPFMXYLAGBVFR-UHFFFAOYSA-N 262.357 1.446 0 50 CDAA CCc1ccccc1CCN1CC[C@@](O)(c2c[nH]nn2)C1 284925353 VSZNIUAMNIYXCO-INIZCTEOSA-N 286.379 1.503 0 50 CDAA CCc1[nH]ccc1C(=O)N1CCN([C@@H]2CCOC2)CC1 376102389 HQNPRDZWIXGXBV-GFCCVEGCSA-N 277.368 1.124 0 50 CDAA CC1(C)CN(C(=O)CS(=O)(=O)C2CC2)[C@@H]1C1CC1 333092432 ONJWDYYNIYWWPT-GFCCVEGCSA-N 271.382 1.211 0 50 CDAA CN1C[C@@H](C(=O)NCc2ccnn2C)Cc2ccccc21 376347028 GKDPHYOQNFTARU-ZDUSSCGKSA-N 284.363 1.345 0 50 CDAA O=C1CC(C(=O)N[C@H](CO)CC2CCCCC2)C1 333163169 MFTSEBYDFTUHTD-LBPRGKRZSA-N 253.342 1.413 0 50 CDAA C[C@H]1CCCc2nc(S(=O)(=O)N=c3cc[nH]cc3)cn21 333230001 YAGQVSURGVABAP-JTQLQIEISA-N 292.364 1.398 0 50 CDAA Cc1cc(C(=O)NC2(CCO)CCN(C)CC2)ns1 333294526 GIDPGTLRIYVSKZ-UHFFFAOYSA-N 283.397 1.028 0 50 CDAA COc1cc(C)ccc1OCC(=O)N(C)C1CCNCC1 237104797 RDFCISBREXXCRO-UHFFFAOYSA-N 292.379 1.593 0 50 CDAA c1cnn([C@H]2CCCC[C@H]2NCC2OCCO2)c1 128391933 JCNUJXUYCKURJX-NEPJUHHUSA-N 251.330 1.329 0 50 CDAA COCCn1cnnc1Cn1ccnc1-c1ccsc1 72144353 MMFMQJAIYJFHQH-UHFFFAOYSA-N 289.364 1.898 0 50 CDAA O=C(C[C@H]1CCNC1)N1CCC(c2ncc[nH]2)CC1 216269547 QXIFOOVJEWRTNK-LLVKDONJSA-N 262.357 1.115 0 50 CDAA CCS[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 176778847 PYWALYUCQABYEG-GMTAPVOTSA-N 270.398 1.446 0 50 CDAA O[C@H]1CCC2CC[C@H](O)C21CCC1OCCCO1 45072152 PWIBOKKYXYNKKE-ATJQQHLPSA-N 256.342 1.442 0 50 CDAA O=C(c1cc2ccccc2c(=O)o1)N1C[C@@H](F)C[C@H]1CO 336023939 PHLYIOGYKDZGMS-QWRGUYRKSA-N 291.278 1.338 0 50 CDAA COCCOCC(=O)N1CC(Oc2cccc(C)c2)C1 223856155 NJLDUMXAOYAFDJ-UHFFFAOYSA-N 279.336 1.248 0 50 CDAA CC(C)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)on1 263241957 CJCRYFMLKZHLGF-VIFPVBQESA-N 282.296 1.114 0 50 CDAA COCc1n[nH]c([C@@H]2CCCCN2Cc2ccnn2C)n1 289168270 ROENCKHHJFJNOF-LBPRGKRZSA-N 290.371 1.412 0 50 CDAA COc1cc(/C=C/C(=O)N2CC[C@H](N)C2)cc(OC)c1 132527312 ITOXYTFNLNZTQD-PCAWENJQSA-N 276.336 1.277 0 50 CDAA C[C@H](C(=O)O)C(=O)NCc1ccc(C(F)F)cc1 263558932 PZIOVWGNSWVVIC-ZETCQYMHSA-N 257.236 1.961 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(-c3ncon3)cc2)C1 178265172 UFFGKKMWPDSAST-LLVKDONJSA-N 287.275 1.283 0 50 CDAA CN1CC[C@@H](NC(=O)c2ccc(-c3cnccn3)cc2)C1=O 426361698 NXTZEKNEQXLJBJ-CYBMUJFWSA-N 296.330 1.104 0 50 CDAA COc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)c(OC)c1 426373582 HPYWHHQQYVOBRJ-UHFFFAOYSA-N 290.319 1.077 0 50 CDAA N=c1ncc(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)c[nH]1 426513656 NDXFNJSNJMRDRD-AWEZNQCLSA-N 298.346 1.153 0 50 CDAA COc1c(C)cnc(Cn2cc(C(C)(C)O)nn2)c1C 132668915 FHRLXSJTAGLEHY-UHFFFAOYSA-N 276.340 1.574 0 50 CDAA O=C(NCCCCCO)N1CC(Oc2ccccc2)C1 426420129 MJBMKHZQOSJYIR-UHFFFAOYSA-N 278.352 1.622 0 50 CDAA CS(=O)(=O)c1cc(N)cc(Br)c1 85223761 JVVOWNCCNDEBSM-UHFFFAOYSA-N 250.117 1.435 0 50 CDAA CN(C)CC(C)(C)NC(=O)Cc1cccc(OCCN)c1 426419671 CPJCCCFNOZSODJ-UHFFFAOYSA-N 293.411 1.023 0 50 CDAA COc1cc(OC)nc(-c2ccc3c(c2)OCCO3)n1 426478643 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244691585 JFJGWGHEQAPJGA-TXEJJXNPSA-N 274.368 1.395 0 50 CDAA Cc1ccn2ncc(C(=O)N(C)[C@H](CO)CC(C)C)c2n1 184594925 SMYFUKDXICJSTQ-LBPRGKRZSA-N 290.367 1.517 0 50 CDAA C[C@@H]1CN(CCC(=O)NCc2cccs2)CCCO1 252509507 YOWSOAYSWPIOPV-GFCCVEGCSA-N 282.409 1.865 0 50 CDAA CCc1nccn1C[C@@H](C)NCC1(COC)CC1 534648391 LLRVMUAEWNTBNK-GFCCVEGCSA-N 251.374 1.850 0 50 CDAA CC(C)c1noc(C2CCN(C(=O)[C@H]3C=CCN3)CC2)n1 534660489 RINHIQOCJHATTG-GFCCVEGCSA-N 290.367 1.427 0 50 CDAA COCc1noc(CNC(=O)C(C)(C)n2cccc2)n1 534586377 WBPLGWCOYAALDT-UHFFFAOYSA-N 278.312 1.069 0 50 CDAA COC(=O)[C@]1(CN)C[C@@]12CCN(C(=O)OC(C)(C)C)C2 260106111 GXIZSJFUUBKNJU-ZIAGYGMSSA-N 284.356 1.135 0 50 CDAA COCC1(CNC(=O)NC[C@@H](O)c2cccc(O)c2)CC1 534640778 JDVHWWTULLKXQC-CYBMUJFWSA-N 294.351 1.151 0 50 CDAA CCc1nc(CN(C)C(=O)NCCC[C@@H]2CCOC2)no1 534584173 DXIGPNGJOLPSEG-LLVKDONJSA-N 296.371 1.590 0 50 CDAA Cc1cccc(OCC(=O)NCCn2ccnn2)c1C 534576650 LZLHHKPLUQSDHH-UHFFFAOYSA-N 274.324 1.090 0 50 CDAA CCc1c(C)[nH][nH]c1=NC(=O)c1cnc(C2CC2)nc1 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WMUQOFMUSUYODQ-GFCCVEGCSA-N 276.292 1.492 0 50 CDAA Cc1ccc(CC(=O)NCCN2CCCC[C@H]2CO)cc1 67540871 LUPXBIGULNWEFZ-INIZCTEOSA-N 290.407 1.501 0 50 CDAA CNC(=O)c1c(C)n[nH]c1NC(=O)C1CCCC1 282094846 VMUTUUXMRMREPT-UHFFFAOYSA-N 250.302 1.206 0 50 CDAA CCn1ncnc1[C@H](C)N1Cc2ncccc2C1=O 65397411 ISZZTNGHDDDTJI-VIFPVBQESA-N 257.297 1.410 0 50 CDAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 62681 GFVUIPNILAJZEC-OAHLLOKOSA-N 299.326 1.906 0 50 CDAA biogenic Cc1cc(N2CCN(c3ccccc3)CC2)nc(N)n1 384257 QBWUYIYCOLJTLR-UHFFFAOYSA-N 269.352 1.694 0 50 CDAA CCOC(=O)c1csc(N2CCC(OC)CC2)n1 147731463 BYYJZJJXKXSOIV-UHFFFAOYSA-N 270.354 1.935 0 50 CDAA NC(=O)CC[C@@H]1CCCN(C(=O)c2c(O)cccc2F)C1 122745464 RROLTUVHLGIJAL-JTQLQIEISA-N 294.326 1.649 0 50 CDAA c1cncc(CN(Cc2ccon2)C[C@H]2CCNC2)c1 328605826 PKHKWHSMIQHVFA-AWEZNQCLSA-N 272.352 1.681 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@@H]1CCCO1 328632476 RYGXROOTFXIADK-NEPJUHHUSA-N 263.341 1.083 0 50 CDAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(=O)n(C)c1 151892515 DZRUQIQNRXDBBT-VIFPVBQESA-N 289.335 1.524 0 50 CDAA CCn1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c(C(C)C)n1 154263547 IAPJDDQLHWYALM-VXGBXAGGSA-N 278.400 1.849 0 50 CDAA NC(=O)N1CCC[C@H]1C(=O)NC1CCC2(CC1)CC2 333036660 NONZRNCOYYNCAN-NSHDSACASA-N 265.357 1.369 0 50 CDAA Fc1ccc(F)c2c1O[C@H]1CN(Cc3cc[nH]n3)C[C@H]1O2 333461594 LRSCVNOXUWMOLC-TXEJJXNPSA-N 293.273 1.712 0 50 CDAA CCn1nnc(C)c1CNC[C@@]1(O)CCCC1(C)C 333552313 MTCJKOCZMZXHLC-AWEZNQCLSA-N 266.389 1.637 0 50 CDAA COc1cccc([C@@H](C)CC(=O)N2CC[C@@H](N)C2)c1 237302078 BNOFBHFWVSLWER-WCQYABFASA-N 262.353 1.748 0 50 CDAA Cc1noc([C@]2(O)CCN(Cc3cc4ccccc4[nH]3)C2)n1 377842990 NDLNPIYGJNRBCM-INIZCTEOSA-N 298.346 1.953 0 50 CDAA CNc1nc(N2CCO[C@H](C(F)(F)F)C2)ncc1F 71712244 YZRCIFRJNOTMNM-ZETCQYMHSA-N 280.225 1.425 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)c1cc(CO)ccn1 217178298 WIRLTYODLAXRMX-LLVKDONJSA-N 278.308 1.043 0 50 CDAA CCN(Cc1cscn1)[C@H]1CCS(=O)(=O)C1 77408017 HBZXJQHDGGOODZ-JTQLQIEISA-N 260.384 1.152 0 50 CDAA CCOc1ccc(CN2C[C@H](OC)C[C@H]2CO)cc1F 284649911 VCOYLLGNSXLPET-QWHCGFSZSA-N 283.343 1.806 0 50 CDAA CC(C)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1=O 336315118 ZEZFGVKNLNTDFS-IMRBUKKESA-N 264.369 1.502 0 50 CDAA Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CCCNC3)C2)no1 158643219 YNJPHMDIKOKMNE-CHWSQXEVSA-N 292.383 1.159 0 50 CDAA COCc1nc2nccc(-c3ccccc3OC)n2n1 49547296 MHHICRVJGGSUCY-UHFFFAOYSA-N 270.292 1.946 0 50 CDAA CC[C@H]1COCCN1C(=O)c1cc(C(C)C)nc(N)n1 77387295 BLOCAAQOSIUGMA-JTQLQIEISA-N 278.356 1.433 0 50 CDAA COC[C@@H]1CN(C(=O)CCc2cnccn2)CC(C)(C)O1 285580221 SONFBUUMJSEHDL-ZDUSSCGKSA-N 293.367 1.062 0 50 CDAA CCOc1ccccc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 285631179 SWKQAFYKMIRLDN-ZYHUDNBSSA-N 276.336 1.279 0 50 CDAA CC(C)Oc1cccnc1C(=O)N1CC(C)(CO)C1 456227100 FRAABZUAKVNQHI-UHFFFAOYSA-N 264.325 1.323 0 50 CDAA CCCCN1CCC[C@@H](Cn2cc(CCO)nn2)C1 48234016 OKEQZHQQEODURX-CYBMUJFWSA-N 266.389 1.325 0 50 CDAA c1cnc(-c2nc(CNc3ncncn3)cs2)cn1 223443361 HYQDYZQRVBXDSJ-UHFFFAOYSA-N 271.309 1.397 0 50 CDAA COC(C)(C)C(=O)Nc1cc(CN(C)C)ccn1 176928173 LESCJSNPCDCDPF-UHFFFAOYSA-N 251.330 1.507 0 50 CDAA CCOC(=O)C(=O)c1cccc(C2OCCCO2)c1 43209599 JLDNEWFABFVJEH-UHFFFAOYSA-N 264.277 1.868 0 50 CDAA C[C@@H](O)c1nnnn1Cc1cccnc1C(F)(F)F 530163241 FONMGDWYTAMQTO-ZCFIWIBFSA-N 273.218 1.189 0 50 CDAA CC(C)c1cc(C(=O)N[C@@H]2CCCCNC2=O)no1 82146876 ZSQWCQVYNWLMIN-SECBINFHSA-N 265.313 1.197 0 50 CDAA Cc1nc(CCN(C)C(=O)c2c(Cl)c(C)nn2C)no1 426490193 IIXGGDRLOGTLLO-UHFFFAOYSA-N 297.746 1.388 0 50 CDAA OC[C@H](Cc1ccco1)Cn1ccnc1-c1c[nH]cn1 82097839 XAVVBGUCWWBINH-LLVKDONJSA-N 272.308 1.717 0 50 CDAA CNC(=O)CCN(C)C(=O)[C@H](c1ccc(C)cc1)N(C)C 91536502 NOLICOQCEJIVKC-HNNXBMFYSA-N 291.395 1.192 0 50 CDAA O=C([C@H]1C[C@@H](O)CN1)N1CC=C(c2ccc(F)cc2)CC1 97642356 KXKVYAVZTBLLML-HUUCEWRRSA-N 290.338 1.164 0 50 CDAA CN(Cc1nccs1)[C@H](C(=O)O)c1ccc(CO)cc1 95378680 UTWRODIEKRDGOR-ZDUSSCGKSA-N 292.360 1.893 0 50 CDAA CC(C)(NC(=O)c1ccc2c(c1)CCCO2)C(=O)O 426387130 RNVSDRBVWOOWFV-UHFFFAOYSA-N 263.293 1.605 0 50 CDAA O=C(c1ccc(-c2ncccn2)cc1)N1CCOCC1 426359137 WSYLIJNAKVNPCB-UHFFFAOYSA-N 269.304 1.616 0 50 CDAA CC(C)(N)C(=O)N=c1[nH][nH]c2c(Cl)cccc12 335071102 VETHRTMXYVDVQO-UHFFFAOYSA-N 252.705 1.314 0 50 CDAA CCc1nc(S(=O)(=O)Cc2ncc(C3CC3)o2)n[nH]1 535507813 PRPJSXRGPHTZMK-UHFFFAOYSA-N 282.325 1.206 0 50 CDAA CCc1[nH]nc(C(=O)N2CC[C@@H](N(CC)CC)C2)c1C 97347045 TUFBLPDVPFTSHD-GFCCVEGCSA-N 278.400 1.837 0 50 CDAA CCCOCC(=O)N[C@@H](C(=O)NC)c1ccccc1 145034265 PBUIJWUUSGATJM-CYBMUJFWSA-N 264.325 1.017 0 50 CDAA Cc1nn(C)cc1CNC(=O)[C@H]1COc2ccccc2C1 95521232 RLQCSUPZMMPKOV-CYBMUJFWSA-N 285.347 1.596 0 50 CDAA O=C1CCCCCN1Cc1nc([C@@H]2CCOC2)no1 96162545 DTBQQQQXPXNGFJ-SNVBAGLBSA-N 265.313 1.476 0 50 CDAA CCc1nnsc1C(=O)N1CC(C)(C)[C@](C)(O)C1 91616284 CEAQIRIJDHLQJK-GFCCVEGCSA-N 269.370 1.334 0 50 CDAA COc1ccc(-n2nc(C)nc2[C@@H]2CCNC2)cc1 96140055 NUYKVAXRKHWSOJ-LLVKDONJSA-N 258.325 1.661 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccncc1 247707857 GLDIAQKUQXIAHS-QEHJDLSMSA-N 266.300 1.639 0 50 CDAA C[C@H]1C[C@H](C)CC[C@H]1NC(=O)N1CCC2(C1)OCCO2 246131496 IZTWQZATWHMNBY-FRRDWIJNSA-N 282.384 1.970 0 50 CDAA C[Si](C)(C)CCOCOC1CCN(CC(=O)O)CC1 253533969 WSFSQBCYRLEGOV-UHFFFAOYSA-N 289.448 1.864 0 50 CDAA O=C(Nc1ccc(Cl)c(F)c1)N[C@@H]1CCNC[C@H]1O 299773401 ACHYCGJPTCTBAM-GHMZBOCLSA-N 287.722 1.323 0 50 CDAA O=C(N[C@@H]1CNC[C@H]1O)C1c2ccccc2-c2ccccc21 534585548 JSMNMEPEPVDUAG-HZPDHXFCSA-N 294.354 1.248 0 50 CDAA CC1(C(=O)NCc2csc(-c3cnccn3)n2)COC1 534652954 SHDLBPXLMSTASR-UHFFFAOYSA-N 290.348 1.253 0 50 CDAA Cc1cnc(C)c(NCCN2CCC(CO)CC2)n1 534647308 KCNQIOVSWDWRER-UHFFFAOYSA-N 264.373 1.210 0 50 CDAA CC(=O)N[C@@H]1CC[C@H](C(=O)N2[C@@H](C)CC[C@H]2C)C[C@H]1O 1940198320 FMCJECKLFKHUOE-SZZQBSIJSA-N 282.384 1.052 0 50 CDAA COc1cc(C[C@]2(CCC(=O)O)CCC(=O)N2)ccc1F 299795871 NCSWIDIFGUQNDJ-OAHLLOKOSA-N 295.310 1.890 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H]1CCN(C(C)C)C1 299795000 KLAWRGKWNSRGJR-CQSZACIVSA-N 292.427 1.758 0 50 CDAA CN1CCC2(CC1)CN(c1cc(C3CC3)ncn1)CCO2 641648778 QMRQGTZDHPCNGJ-UHFFFAOYSA-N 288.395 1.655 0 50 CDAA O=C(O)CCC(=O)NCC[C@@H]1CCCN2CCCC[C@H]12 827814664 VZDHATGFFYTMDZ-QWHCGFSZSA-N 282.384 1.622 0 50 CDAA Cc1ccccc1-n1cc(CN2CCCNC(=O)C2)cn1 828308672 HGXLQUHWRBFQRQ-UHFFFAOYSA-N 284.363 1.503 0 50 CDAA C[C@@H]1C(=O)C[C@@H]2C(=O)NC(=O)[C@H]2[C@H]1c1ccccc1 828244728 ICLCRPOZQSDAEB-MWKLQFHZSA-N 257.289 1.268 0 50 CDAA CCOCCC(=O)N[C@H]1CC(=O)Nc2ccccc21 584893859 NNXUISGQZRITJI-LBPRGKRZSA-N 262.309 1.613 0 50 CDAA CC(C)(C)OC(=O)NC[C@]1(C(=O)O)CCCOC1 584879974 RYVCMFUUIKAHPI-GFCCVEGCSA-N 259.302 1.393 0 50 CDAA CC1CCC(C(=O)N(C)Cc2nc(O)n[nH]2)CC1 1875296266 NLCBVHXSCJXVRP-UHFFFAOYSA-N 252.318 1.295 0 50 CDAA CCn1nc(C(C)C)cc1C(=O)NCC/C=C/C(=O)OC 1875311972 QISXSHDEPMNFPW-SOFGYWHQSA-N 293.367 1.876 0 50 CDAA O=C(NC1CC1)[C@H]1C[C@H]1c1nc(C(F)(F)F)no1 1875306403 DPPFCZPGVCQOQA-NTSWFWBYSA-N 261.203 1.471 0 50 CDAA CNc1ccccc1CN1CCO[C@]2(CCOC2)C1 952876926 IMYMWJCBFPEWIM-OAHLLOKOSA-N 262.353 1.720 0 50 CDAA Cc1nc(CN2C[C@@H]3C[C@H]2CN3c2ccccc2)n[nH]1 880188656 NJIRPICIMGPYBN-KBPBESRZSA-N 269.352 1.576 0 50 CDAA Cc1[nH]nc(CNCc2csc(N)n2)c1Cl 952869005 KDEPINPWDLGCTE-UHFFFAOYSA-N 257.750 1.700 0 50 CDAA O=C(c1cnn2c1OCCC2)N1CC(Cc2ccoc2)C1 890573700 CXYDJNYWNFPXMO-UHFFFAOYSA-N 287.319 1.573 0 50 CDAA CCn1ncc(CNc2ccnc(N3CCCC3)n2)n1 1775992127 PRIXLNDTCQCETG-UHFFFAOYSA-N 273.344 1.300 0 50 CDAA CCC1CCN(S(=O)(=O)N(CC)[C@H](C)C(=O)O)CC1 899567637 XHOMBAQQNIVUTM-SNVBAGLBSA-N 292.401 1.148 0 50 CDAA O=S1(=O)C[C@@H](O)c2c(OCC(F)(F)F)cccc21 1536219828 MUEHSKAJDRIBIZ-ZCFIWIBFSA-N 282.239 1.448 0 50 CDAA CC(C)N(C)C(=O)C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 170048766 QGKIEPOATNAGHP-CYBMUJFWSA-N 297.443 1.465 0 50 CDAA C[C@H](NCC(=O)N(C)c1ccccc1)[C@H]1CCCO1 170077363 RZCAUXHNAACWJN-GXTWGEPZSA-N 262.353 1.807 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)O 407985938 RZOBBGRZUFFURI-SECBINFHSA-N 271.313 1.487 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(CC2(O)CCC(C)CC2)C1 408038994 QULHJOBNDRLGEO-YIFLHPOLSA-N 257.374 1.009 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2n[nH]c3ccc(C)cc23)C1 408525451 JJTAQOADZMHZDG-NSHDSACASA-N 272.352 1.553 0 50 CDAA CC(C)CCC[C@H](C)NC(=O)NC[C@H](C)S(N)(=O)=O 408515751 YNOBYOUGQYJUFE-QWRGUYRKSA-N 293.433 1.177 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnsn1 222991004 QHKLZRDNPQJFTP-JEZHCXPESA-N 281.337 1.396 0 50 CDAA C[C@@H]1CC(C)(C)C[C@@](CO)(NC[C@H](O)Cn2cccn2)C1 170652556 ODVWOYIHWYTJEW-YCPHGPKFSA-N 295.427 1.411 0 50 CDAA Cn1c(C(C)(C)NC(=O)[C@@H]2CCOC2)nc2ccccc21 186800228 QQICNUFNEWSFJE-LLVKDONJSA-N 287.363 1.961 0 50 CDAA O=C(CCn1cccc1)NC1CCC(C(=O)O)CC1 676016341 APMZNDWJUDZBOH-UHFFFAOYSA-N 264.325 1.638 0 50 CDAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1Cc1cc[nH]c1 583618748 DBKUBUKBPMWOPQ-KFWWJZLASA-N 264.369 1.767 0 50 CDAA CC(C)Cn1ccnc1CNC(=O)[C@@H]1CCCO[C@@H]1C 188055663 MHIWMVJIHOLFIR-CHWSQXEVSA-N 279.384 1.970 0 50 CDAA CCC[C@H](C)NC(=O)[C@H]1CCCN(CC[S@](C)=O)C1 585079723 GJCCCJQGRZZWAK-JMERFSKESA-N 288.457 1.382 0 50 CDAA O=C(Cn1cnc2c1CCCC2)N1CCC[C@@H](O)CC1 564074670 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1.560 0 50 CDAA CC1=C(C(=O)NCCc2scnc2C)OCCO1 952989246 VRFCCVKCRWNYGA-UHFFFAOYSA-N 268.338 1.389 0 50 CDAA Cn1cc(-c2ncccc2C(=O)NCC2(CF)CC2)cn1 888092852 KSUROXLTKGOSNH-UHFFFAOYSA-N 288.326 1.962 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nc[nH]n1 888076695 JCQXZCONFKZYQT-PWSUYJOCSA-N 266.345 1.214 0 50 CDAA N[C@H]1C[C@H](NC(=O)c2cccc3c2CCNC3)C12CCC2 1775961157 DGNPFQHFBKSKAA-GJZGRUSLSA-N 285.391 1.332 0 50 CDAA COC[C@@H]1[C@H](NC(=O)c2cccc(F)c2F)[C@H]2CCO[C@@H]12 1565525777 YMMKXCQPJNPYQG-DMTCVQMQSA-N 297.301 1.745 0 50 CDAA C[C@H]1CN(Cc2ccnc(N)c2)CCN1c1cnccn1 1363326562 ZPCAIRVJCLPTER-LBPRGKRZSA-N 284.367 1.165 0 50 CDAA CN1C[C@@H](NC(=O)[C@@H]2CSCCS2)C(C)(C)C1 1363641180 KJHPLTBYWVSCQP-VHSXEESVSA-N 274.455 1.291 0 50 CDAA CCc1cc(NCc2ccc(S(C)(=O)=O)nc2)ncn1 1364591154 QQBHZJWDKWRPFP-UHFFFAOYSA-N 292.364 1.450 0 50 CDAA COCCNCCNC(=O)c1cc(C)c(F)cc1F 135631137 HBKXDZZKTPAADH-UHFFFAOYSA-N 272.295 1.239 0 50 CDAA CC[C@@H](NC(=O)c1ccn(C(C)C)n1)[C@H](O)C(F)(F)F 270855426 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CCc1c(C)nn(CC(=O)Nc2nccn2C)c1C 1506425738 QZEBUPUZJCMRMP-UHFFFAOYSA-N 261.329 1.435 0 50 CDAA Cc1ccnn1CCN1CCN(CC2CCCC2)CC1 1506397852 XUPYECXESPJOFE-UHFFFAOYSA-N 276.428 1.999 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)c1c[nH]c(=N)s1)C2 1857733438 KSXNVNSOTHSPJS-UHFFFAOYSA-N 260.322 1.415 0 50 CDAA CCCCNC(=O)CN(C)c1ncc(Cl)cn1 1529181815 WNHVOONYFRVMKF-UHFFFAOYSA-N 256.737 1.483 0 50 CDAA CN(C)C(=O)c1cccc(-c2cccnc2N(C)C)n1 1875247772 RQONPADOPSTOQC-UHFFFAOYSA-N 270.336 1.911 0 50 CDAA Cc1nc(C)c(C)c(N2C[C@H]3COC[C@@H]2CN(C)C3)n1 1875250501 GMPOWQUGLWCGRB-KBPBESRZSA-N 276.384 1.169 0 50 CDAA CCC(=O)N1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 212821930 RHWIRHOAAHUFBS-NEPJUHHUSA-N 265.284 1.862 0 50 CDAA Cc1noc(C2CN(C(=O)[C@@H]3[C@H](C)C3(F)F)C2)n1 408399590 IYWBYLHPFYLCHE-XNCJUZBTSA-N 257.240 1.205 0 50 CDAA CN1C[C@H](c2nc(-c3cccc(F)c3)no2)CC1=O 113726612 GRNCKEKXZQOBGO-SECBINFHSA-N 261.256 1.821 0 50 CDAA O=C(O)/C=C/C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 4071356 GKEVMNYXOTYLMG-IVZJMYDKSA-N 265.231 1.865 0 50 CDAA O=C(c1ccc(Cl)o1)N1C[C@H]2COC[C@@H](C1)O2 334234700 JZHHPTGXWGVIJL-OCAPTIKFSA-N 257.673 1.173 0 50 CDAA CS(=O)(=O)c1cc(Br)ccc1O 144457867 NUPADVWWKRDWOA-UHFFFAOYSA-N 251.101 1.558 0 50 CDAA in-vitro O=C(O)C1CCN(C(=O)c2ccc3c(n2)CCCN3)CC1 1601827607 PSZRTIVZNJDCMO-UHFFFAOYSA-N 289.335 1.377 0 50 CDAA CNC(=O)[C@H](Nc1nc(C)cc(N(C)C)n1)c1ccccc1 1615574773 YVSRBZNDZOGKTL-CQSZACIVSA-N 299.378 1.750 0 50 CDAA O=C(NCc1cncc(O)c1)[C@@H]1NCC[C@H]2CCCC[C@H]21 1615545314 GJLYAOYNWZRCLJ-BPLDGKMQSA-N 289.379 1.572 0 50 CDAA O=C(NC[C@]12CNC[C@@]1(C(F)(F)F)C2)N1CC=CCC1 1615589955 HKPOKIGJUQETSL-RYUDHWBXSA-N 289.301 1.500 0 50 CDAA CCc1ncnc(NC[C@H](O)[C@H]2COC(C)(C)O2)c1F 1615572666 ZZQJRWXKCSIFDV-VHSXEESVSA-N 285.319 1.102 0 50 CDAA Cc1nc(C)c(F)c(NCCNC(=O)NC(C)C)n1 1615547781 DKADWFOSNZFZTR-UHFFFAOYSA-N 269.324 1.352 0 50 CDAA Cc1cc(C(F)(F)F)nc(NCCn2cccnc2=O)n1 1615614468 HCVFIGICHXCTFY-UHFFFAOYSA-N 299.256 1.473 0 50 CDAA CCc1c(C(=O)N[C@@H]2Cc3cnccc3NC2=O)ccn1C 1616040284 DETTYZKYMTYCLC-CYBMUJFWSA-N 298.346 1.276 0 50 CDAA Cn1cnc2cc(C(=O)N[C@H]3CC=CC[C@@H]3C(N)=O)ccc21 1616093385 LEUXMNNNABEFQD-RYUDHWBXSA-N 298.346 1.123 0 50 CDAA NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1 1228634 QGCIPXRLLODMTQ-UHFFFAOYSA-N 296.392 1.531 0 50 CDAA CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(C)C)C2 14744091 MDLCJFFIGZJTOM-UHFFFAOYSA-N 290.411 1.906 0 50 CDAA O=C(/C=C/c1cccs1)NCCN1CCOCC1 19342589 UXBNISSVUZWJSP-ONEGZZNKSA-N 266.366 1.210 0 50 CDAA O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1 19593518 YYFGRAGNYHYWEZ-UHFFFAOYSA-N 282.771 1.792 0 50 CDAA in-man C[C@@H]1C=C[C@H](C(=O)O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 169616328 VKSNXANUXMIWPH-MGAJPHDKSA-N 285.299 1.699 0 50 CDAA C[C@H]1CN(C2CCN(c3cncc(N)n3)CC2)C[C@@H](C)O1 1857680023 FDHBSMDFHNTTEO-TXEJJXNPSA-N 291.399 1.137 0 50 CDAA CC(C)[C@H]1C=CCN1C(=O)CN1CCCN(C)CC1 1857692322 ZFHKVSFJOWVVPC-CQSZACIVSA-N 265.401 1.047 0 50 CDAA OC[C@H]1C[C@H](n2ccnc2-c2ccc3c(c2)CCO3)CN1 1857712353 VRCXBZDCRFEYKR-KGLIPLIRSA-N 285.347 1.380 0 50 CDAA C[C@H](NC(=O)C(=O)NC[C@@H]1CCCO1)c1ccccc1 2943046 OAHMFRBSTLXJCN-AAEUAGOBSA-N 276.336 1.159 0 50 CDAA COCc1cccc(CC(=O)NCC[C@H]2CCCNC2)c1 422806659 ITFVVQOSWSHZAJ-CQSZACIVSA-N 290.407 1.881 0 50 CDAA Cc1c(C(=O)O)cnn1C1CCN(C(=O)[C@H]2C[C@H]2C)CC1 659160077 RMXPMZJWEMAUHM-SKDRFNHKSA-N 291.351 1.709 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1Cn1cccn1 247778755 ZKVXTKYHODRKHU-GJZGRUSLSA-N 284.363 1.574 0 50 CDAA Cc1nc(CC(=O)N2CCC[C@H]2C2(O)CC2)cs1 1772818905 AHXCTZXNUATOQZ-NSHDSACASA-N 266.366 1.510 0 50 CDAA Cc1nc(C(F)(F)F)c(Cn2cc(C(N)=O)nn2)s1 853678256 GAXAXNACMVAZTR-UHFFFAOYSA-N 291.258 1.209 0 50 CDAA Nc1c(C(=O)O)cc(Cl)nc1I 1857777585 HHGSGWOUANABHK-UHFFFAOYSA-N 298.467 1.620 0 50 CDAA C=CC(=O)N1CCC([C@H]2CCC[C@H]2C(=O)O)CC1 1857787014 XITJLORVYDZMSS-VXGBXAGGSA-N 251.326 1.912 0 50 CDAA Nc1ncc(CN2CC[C@@H]([C@H]3CCOC3)C2)s1 262107596 WDKKCZFEMBGHDF-ZJUUUORDSA-N 253.371 1.584 0 50 CDAA O=C(N[C@@H]1COc2ccccc21)c1ccc(=O)[nH]c1 58728307 HOIBIHFCZWGCAW-LLVKDONJSA-N 256.261 1.238 0 50 CDAA O=C(NC[C@]1(O)CCNC1)c1cccc2ccccc12 72148404 LITFYYCNVUACIR-INIZCTEOSA-N 270.332 1.294 0 50 CDAA Cc1nnsc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77538390 FLHHGOJNELMWIC-SECBINFHSA-N 277.353 1.589 0 50 CDAA O=C(NC[C@]1(O)CCCNC1)c1sccc1Cl 534657473 MXTIWCIKGKDWOA-NSHDSACASA-N 274.773 1.246 0 50 CDAA CC(C)(CC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)C1CC1 332178616 VYPNOHPXAGYSMX-LLVKDONJSA-N 288.413 1.092 0 50 CDAA CN1CCN(Cc2ccc(S(C)(=O)=O)cc2)C(C)(C)C1 341906341 IKXADUDTTNXZLF-UHFFFAOYSA-N 296.436 1.616 0 50 CDAA COC1CCC(Nc2ncnc3c2cnn3C)CC1 573901132 SOGQYQUKZVJTTC-UHFFFAOYSA-N 261.329 1.733 0 50 CDAA CC(C)(CNc1ccc(C(N)=O)nn1)c1ccncc1 714271523 WDUBPKRFIXTHIN-UHFFFAOYSA-N 271.324 1.360 0 50 CDAA Cc1nc(C)c(CNc2ncc(C(=O)O)cn2)s1 385803773 KYXPQBGHPKJYJN-UHFFFAOYSA-N 264.310 1.860 0 50 CDAA Cc1nc(NC2CN(C(=O)C3CC3)C2)c2cc[nH]c2n1 2325780643 DPNYDIPRAZWWFS-UHFFFAOYSA-N 271.324 1.299 0 50 CDAA CCn1cc(NC(=O)N(C)C2CCOCC2)c(C(=O)O)n1 2325797605 HUZGXELHNPKSOY-UHFFFAOYSA-N 296.327 1.244 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)[C@H]1C[C@@H]3CC[C@@H]31)C2 2325799826 ZPNWGAPVOILDBT-KQAFNVIJSA-N 263.337 1.744 0 50 CDAA CCn1cnnc1[C@@H]1C[C@@H]1C(=O)NOc1ccccc1 2325804357 IIJWTEWUJMDPNT-NEPJUHHUSA-N 272.308 1.512 0 50 CDAA NC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 913 UPWPBIUUSLIWAI-UHFFFAOYSA-N 291.332 1.592 0 50 CDAA in-man CC1(C)CC(=O)c2ccc(OCC(=O)O)cc2O1 84867 JOJCMTSSOUZRSI-UHFFFAOYSA-N 250.250 1.894 0 50 CDAA biogenic CCOc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N)S1 173525 AZMCPASOAJKCFG-SNVBAGLBSA-N 293.348 1.371 0 50 CDAA O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(O)cc1 188938 MHAIQSGEPCLCKJ-UHFFFAOYSA-N 296.282 1.627 0 50 CDAA C[C@H]1Cc2ccccc2N1C(=O)CSc1nnnn1C 417341 YTSXONLDNIZQBD-VIFPVBQESA-N 289.364 1.280 0 50 CDAA c1ncc(CN2CCc3nc(C4CC4)nn3CC2)s1 2356134591 TWSNHFALICKITM-UHFFFAOYSA-N 275.381 1.670 0 50 CDAA CCCCNC(=O)Cn1cnc2ccccc2c1=O 2987670 CXMYEDPUJRALHC-UHFFFAOYSA-N 259.309 1.313 0 50 CDAA CCCCOc1ccc(CNC(=N)NC(=N)N)cc1 4009350 SIJJASYHTCUKNL-UHFFFAOYSA-N 263.345 1.373 0 50 CDAA NC(=O)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 4814554 VTXBCCACXDLQLQ-UHFFFAOYSA-N 298.745 1.746 0 50 CDAA Nc1nc(Oc2ccccc2)c(Br)c(=O)[nH]1 6493974 LHOUWYPKPWTLDQ-UHFFFAOYSA-N 282.097 1.907 0 50 CDAA CN(C)c1cccc(-c2nnc(SCC(N)=O)n2C)c1 6715587 LTTKEIQHLWSAGP-UHFFFAOYSA-N 291.380 1.126 0 50 CDAA Nc1ccccc1C(=O)NCCNc1ccnc(C2CC2)n1 225532338 HPUBODLKCQUOJC-UHFFFAOYSA-N 297.362 1.778 0 50 CDAA Cc1ccoc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 112034046 HTFWRFMOABCBRB-MRVPVSSYSA-N 290.241 1.481 0 50 CDAA CC(C)CS(=O)(=O)NCc1ccc2c(c1)OCO2 1456918 VLHVCBPQONESCW-UHFFFAOYSA-N 271.338 1.491 0 50 CDAA O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)[C@H]3OC[C@@H](O3)[C@@H]12 110423668 PQKCJNCEYJTPAS-SEKJGCFDSA-N 278.691 1.709 0 50 CDAA Cc1cnc(C)c(N2CCN(Cc3cc[nH]n3)CC2)n1 20868598 JXDPTWLYMXRTMX-UHFFFAOYSA-N 272.356 1.139 0 50 CDAA COc1ccccc1-c1ccc(NC[C@H](C)O)nn1 67788511 LUFSICJRCIPRNO-JTQLQIEISA-N 259.309 1.945 0 50 CDAA Cc1cc(C)cc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)O)c1 65386392 GKZJMPGFHVBREW-QWHCGFSZSA-N 277.320 1.354 0 50 CDAA COC[C@H]1CN(c2nc(C)cnc2C)CC(C)(C)O1 284851241 DSNYKFWGPOVJEN-GFCCVEGCSA-N 265.357 1.724 0 50 CDAA CSCCC(=O)N[C@H]1CCCN(C2CCN(C)CC2)C1 23338553 XPXSHTPTLDJHCE-ZDUSSCGKSA-N 299.484 1.414 0 50 CDAA O=[S@@](O)c1cc2c(cc1Br)OCCO2 125988042 VGROZQZRZYXZLK-UHFFFAOYSA-N 279.111 1.801 0 50 CDAA CC1(C)OC(=O)N(NCc2ccccc2)[C@]1(C)O 52761 BAZYFLPHFHKBOS-CYBMUJFWSA-N 250.298 1.631 0 50 CDAA COC(=O)c1cc(CN[C@@H]2CCCc3cn[nH]c32)cn1C 253427149 DMTIIKOELNJDTQ-GFCCVEGCSA-N 288.351 1.702 0 50 CDAA COc1ccc(CC(=O)OCCN2CCCCC2=O)nc1 253426369 ZQMZBQVZJUFADG-UHFFFAOYSA-N 292.335 1.188 0 50 CDAA Cc1cc(C)n2nc(C(=O)Nc3cccnc3)nc2n1 37867300 OQJKGDGSMXFRJL-UHFFFAOYSA-N 268.280 1.388 0 50 CDAA CN(Cc1cccn1C)C(=O)c1ncn(C(C)(C)C)n1 360373202 CZWGGGRGLDFFFJ-UHFFFAOYSA-N 275.356 1.644 0 50 CDAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc[nH]n1 328635404 URGDMFAVAIVEIO-ZFWWWQNUSA-N 299.378 1.570 0 50 CDAA Cc1cc(CN(C)Cc2cnc(N(C)C)n2C)no1 331104444 FJWHSHDEQJSILS-UHFFFAOYSA-N 263.345 1.415 0 50 CDAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cncnc1 284607643 CBHAQPHELPFKEA-VXGBXAGGSA-N 287.323 1.409 0 50 CDAA C[C@@H]1CCOCCN1C(=O)c1ccc2nc(O)[nH]c2c1 367658872 HJFCEVDWKVJKCJ-SECBINFHSA-N 275.308 1.520 0 50 CDAA CCC(CC)n1nccc1C(=O)N1CCCNC(=O)[C@@H]1C 331541882 AQAYXLPUSLHCBY-NSHDSACASA-N 292.383 1.595 0 50 CDAA CC(C)NC(=O)N[C@H]1c2ccccc2CC[C@H]1CO 373713548 SXGUDDMGTRTEOS-GXTWGEPZSA-N 262.353 1.990 0 50 CDAA N[C@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2O)C1 157705783 XWBHOFPTELWNRO-NSHDSACASA-N 286.335 1.141 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1cccc2ccnn12 72168452 OYYZVGUAKOGMSN-JTQLQIEISA-N 279.365 1.178 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(F)F)[C@@H](CC)C1 236997864 KPAFUXLKODNQTH-GVXVVHGQSA-N 291.386 1.548 0 50 CDAA Cc1c(NC(=O)N[C@@H]2c3ccccc3O[C@H]2C)nnn1C 333361291 LCOCCLBDUCKFEL-CABZTGNLSA-N 287.323 1.767 0 50 CDAA CNCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 237181697 BDLHYPLZEHHBHX-GOEBONIOSA-N 289.423 1.575 0 50 CDAA CC[C@H]1c2cccn2CCN1CC(=O)Nc1cnn(C)c1 72162307 GOEAFWQUWILAFN-ZDUSSCGKSA-N 287.367 1.627 0 50 CDAA O=C(NC[C@H]1CNCCCO1)NC[C@@H]1C[C@H]1C1CCC1 333632360 VWSWFPLXAREARV-MJBXVCDLSA-N 281.400 1.100 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)CN1C[C@@H](C(N)=O)CC[C@H]1C 241157264 JWFSIKRIXKYOBV-MQYQWHSLSA-N 295.427 1.267 0 50 CDAA C[C@H]1CN(C(=O)c2conc2C2CC2)C[C@@H](C)N1CCO 333952694 CRMGXWPVKVAYTK-PHIMTYICSA-N 293.367 1.079 0 50 CDAA CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@H]1C[C@H](C)OC1=O 241739131 RAGLYYFKGLUAIT-XCCSTKFXSA-N 294.395 1.317 0 50 CDAA Cc1cc(C)n(-c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)n1 237568507 QGLIEWDDULKSNI-ZDUSSCGKSA-N 298.390 1.923 0 50 CDAA CO[C@H]1CCN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)C1 334106644 YMLOCBILVUUGKM-OLZOCXBDSA-N 282.384 1.766 0 50 CDAA O=C(c1ccc2c(c1)CCCO2)N1CCOC[C@H](CO)C1 77439410 OVKNSWCXHLWRKX-LBPRGKRZSA-N 291.347 1.093 0 50 CDAA O=C(O)CCN(C(=O)[C@@H]1C[C@@H]1C1CC1)C1CCOCC1 238067431 KHACDJBWUKQLEC-CHWSQXEVSA-N 281.352 1.515 0 50 CDAA Cc1cnn([C@H](C)CNc2ncnc3c2c(C)nn3C)c1 72428505 QVSDWFNERSBQLO-SNVBAGLBSA-N 285.355 1.850 0 50 CDAA CN1CCC(CNC(=O)C[C@@H]2CCCOC2)CC1 193059292 CYSHVVHTUCAVAD-ZDUSSCGKSA-N 254.374 1.261 0 50 CDAA CCOC(=O)CNc1ncc(Br)cn1 44137205 MSJIEFRRPDPTHH-UHFFFAOYSA-N 260.091 1.214 0 50 CDAA in-vitro CC[C@H](NC(=O)c1c(C)[nH]c(C)cc1=O)c1ccnn1C 426412491 VJHAZYCKARULHB-NSHDSACASA-N 288.351 1.606 0 50 CDAA Cc1noc(C)c1CCCNC(=O)Cc1cnccn1 221308273 HYIMCJNQSOFOSC-UHFFFAOYSA-N 274.324 1.373 0 50 CDAA Cc1cccc(-c2nnc3n2C[C@@H](C(=O)O)CC3)c1 134035069 OQJFKHOIEIDQHQ-NSHDSACASA-N 257.293 1.901 0 50 CDAA O=C(NCC12CCCN1CCC2)c1cc(C2CC2)on1 614229963 YVKYOABFBQVITN-UHFFFAOYSA-N 275.352 1.910 0 50 CDAA CNCc1nnc(SCCC(F)(F)C(F)F)n1C 426651451 XRYXAKSVHVFUOA-UHFFFAOYSA-N 286.298 1.917 0 50 CDAA Cc1ccn2c(C(=O)NCc3csc(C)n3)nnc2n1 426622900 GJQUXNLPDKSPNM-UHFFFAOYSA-N 288.336 1.128 0 50 CDAA NCCOc1ccc(F)cc1C(=O)NC1CCC1 426661153 BHVAXIXDMNZUBY-UHFFFAOYSA-N 252.289 1.446 0 50 CDAA Fc1cnc(-c2ccncc2)nc1N1CCOCC1 426599552 KLCRKAQIMXXWCA-UHFFFAOYSA-N 260.272 1.514 0 50 CDAA CO[C@@H](C)c1cccc(-c2c(C)n(C)c(=O)n(C)c2=O)c1 426691317 RGPZCEVMRIKZNA-NSHDSACASA-N 288.347 1.767 0 50 CDAA Cn1nc(C(=O)N2CCC[C@@H]2C(=O)O)cc1-c1ccccc1 426546231 QNEXASGFMMKFLE-CYBMUJFWSA-N 299.330 1.776 0 50 CDAA CCc1nc(C)c(CNC(=O)CN2CCC[C@H](O)C2)s1 230533586 LJASDNSUVYIDIM-NSHDSACASA-N 297.424 1.087 0 50 CDAA CCc1n[nH]c(-c2nc(-c3cccnn3)no2)c1C 91326589 SBAMZZPJULOVNM-UHFFFAOYSA-N 256.269 1.788 0 50 CDAA COC(=O)[C@@H](C)N1CCO[C@H](Cc2ccccc2)C1 181529086 HXRUJOKHEIMCFN-TZMCWYRMSA-N 263.337 1.491 0 50 CDAA COCCc1nc(C)n(Cc2cccc(OC)c2)n1 91526462 NUXKWEJYXKKAQG-UHFFFAOYSA-N 261.325 1.832 0 50 CDAA Cn1cccc1C(=O)C(=O)NC[C@@H]1COc2ccccc2C1 91486621 JNRQQOYWXJCCHQ-GFCCVEGCSA-N 298.342 1.575 0 50 CDAA O=C1NCCCc2[nH]c(COc3ccccc3)nc21 95359600 KHMVLCMPTROZDM-UHFFFAOYSA-N 257.293 1.665 0 50 CDAA O=C(NCc1ccon1)C1CCN(C2CCOCC2)CC1 97602319 CEAPXDHXDZTBLP-UHFFFAOYSA-N 293.367 1.182 0 50 CDAA CNC[C@@H]1CCCN1C(=O)c1cc(C)n(C(C)(C)C)n1 237121781 UYSJMALTHSTZDV-LBPRGKRZSA-N 278.400 1.771 0 50 CDAA CC[C@@H](C(=O)NCc1cn2ccsc2n1)n1cccn1 91725729 QSODCLXZDZZGBS-NSHDSACASA-N 289.364 1.860 0 50 CDAA Cc1ccc(-n2cc(C(=O)N3CCCC[C@H]3CN)nn2)cc1 237828701 OGETWUNDXKEJEO-AWEZNQCLSA-N 299.378 1.529 0 50 CDAA O=C(NCCc1c[nH]cn1)c1ccccc1-c1nc[nH]n1 97117394 QQJOPDWWKWQKAQ-UHFFFAOYSA-N 282.307 1.167 0 50 CDAA CCc1ncc(C(=O)N(C)Cc2cnc3ccccn23)cn1 95371412 YLQVOMDFLRXQLJ-UHFFFAOYSA-N 295.346 1.959 0 50 CDAA COC(=O)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 96028583 NOQTWYNNHUDNNQ-VIFPVBQESA-N 259.302 1.043 0 50 CDAA O=C(O)c1ccc(OCCNC(=O)[C@H]2CCCOC2)cc1 538584172 CWBJQBKNHZCWJE-LBPRGKRZSA-N 293.319 1.306 0 50 CDAA O=C(O)[C@@H]1CCCN(Cc2cnn3cccnc23)C1 534674538 URDDMSANAPCDKJ-SNVBAGLBSA-N 260.297 1.026 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)c1cn(C)c(C)cc1=O 534639379 ZEDXOONTURWHRG-SNVBAGLBSA-N 280.324 1.067 0 50 CDAA Cn1cccc1CCNc1cc([C@@H]2CCOC2)ncn1 299778226 GWVQPJLKVABFIO-GFCCVEGCSA-N 272.352 1.974 0 50 CDAA O=C1N[C@@H](c2ccccc2)C(=O)N2Cc3ccccc3C[C@H]12 828321134 RSRMYQKBARGSQV-CVEARBPZSA-N 292.338 1.811 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC1CC(C)(C)NC(C)(C)C1 823350065 DDKNMYZXVCSYCS-KBPBESRZSA-N 283.460 1.604 0 50 CDAA CCc1ncc(S(=O)(=O)N[C@H](CC)c2ccncc2)[nH]1 822662191 WPPMOCCGSCTSPT-LLVKDONJSA-N 294.380 1.797 0 50 CDAA O=C(c1cncc(Cl)c1)N1CCN(CCCCO)CC1 584886669 VKUXQUCPQJXWHM-UHFFFAOYSA-N 297.786 1.265 0 50 CDAA CCCn1cc(C(=O)N2CC[C@H](CC(=O)NC)C2)c(C)n1 584884705 JVDZGLKDHRITIT-GFCCVEGCSA-N 292.383 1.200 0 50 CDAA CC1(CNC(=O)Cc2cnc[nH]2)Cc2ccccc2C1 585134422 RYXHKLUQJZRLLT-UHFFFAOYSA-N 269.348 1.874 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)CC(=O)NC1CC1 670443004 DLDXMHBFHBCXME-UHFFFAOYSA-N 264.373 1.170 0 50 CDAA CCn1ncc(CN(C)CC(=O)Nc2ccn(C)n2)c1C 670463007 TTZIHMQLRWELKR-UHFFFAOYSA-N 290.371 1.015 0 50 CDAA CN(C[C@H]1CCOC1)c1cncc(C(=O)N2CCCC2)n1 670455623 CXKLOHYWFXZAJH-GFCCVEGCSA-N 290.367 1.185 0 50 CDAA C[C@@H]1CN(Cc2cnc(O)c3ccccc23)C2(CC2)C(=O)N1 1875322864 KTGNPKJSZQYTMX-LLVKDONJSA-N 297.358 1.793 0 50 CDAA O=C(NS(=O)(=O)C1CCC1)[C@@H]1[C@H]2CC(F)(F)C[C@H]21 1875303644 GWDJIESGHYQKMM-BRPSZJMVSA-N 279.308 1.276 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2 1875333439 VBTFXNLDSSEFSE-CDAZIORVSA-N 288.303 1.201 0 50 CDAA CCC(=O)N1CC[C@H](NC(=O)/C=C/CN(C)C)[C@@H](CC)C1 1875378514 FDMCUXGCSGTAMO-SWICKSTGSA-N 295.427 1.258 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC34COC4)n[nH]c21 1875395156 NUOYDVSYAWCDST-BDAKNGLRSA-N 277.324 1.047 0 50 CDAA Cc1sc(CNC(=O)c2cc(O)nn2C)nc1C(C)C 1875293215 GXVOPNDLAHXGDM-UHFFFAOYSA-N 294.380 1.944 0 50 CDAA Cc1ccc2[nH]c(=N[C@H]3CCCC[C@@H]3C(N)=O)sc2n1 1875286846 JKHPSTUMQBXJJE-UWVGGRQHSA-N 290.392 1.878 0 50 CDAA CCn1nnc(C)c1CN1Cc2c[nH]nc2C[C@@H](C)C1 952884043 SEYKCEGZTCMNLZ-SNVBAGLBSA-N 274.372 1.524 0 50 CDAA OC[C@@H]1CCCN(CCNc2ncccc2F)C1 952870174 UGEBOSZQWGOFCQ-LLVKDONJSA-N 253.321 1.337 0 50 CDAA Cc1cc(CS(=O)(=O)N2CC[C@@H](C)[C@H](C)C2)no1 271049542 PJQSPAWNQKUZBO-NXEZZACHSA-N 272.370 1.791 0 50 CDAA Cn1cc(CN2CCS(=O)(=O)CC2)c(C2CCCC2)n1 891927703 UZJYLJWLSRPNKQ-UHFFFAOYSA-N 297.424 1.308 0 50 CDAA COc1ccc(N[C@H]2CCC[S@@](=O)CC2)cn1 888095658 PNACJBXJLKKDQC-DYZYQPBXSA-N 254.355 1.803 0 50 CDAA CC[C@H]1c2ccccc2CN1C(=O)Cn1ccc(O)nc1=O 890610901 WSMKWHIBQXBPDG-ZDUSSCGKSA-N 299.330 1.442 0 50 CDAA CN1CC[C@@H](Oc2cc(S(C)(=O)=O)ccc2F)C1 1775989587 QGGLSHPOJZABME-SECBINFHSA-N 273.329 1.312 0 50 CDAA C=CC(=O)N[C@@H]1CCOC[C@@H]1OCc1ccccc1 1776007036 JXGGOAVTSCZOHK-KGLIPLIRSA-N 261.321 1.663 0 50 CDAA Nc1ncnc(N2CC[C@H](Oc3ccncc3)C2)c1Cl 302059709 SILGAHKEYSAGRL-JTQLQIEISA-N 291.742 1.765 0 50 CDAA COC(=O)c1cccn2c(Br)cnc12 89202225 YENHYUCNQOSJPZ-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2nonc2C)[C@@H]1C 408525513 ORMCGPXAVMMAOA-MVWJERBFSA-N 281.356 1.930 0 50 CDAA COc1ccc(Cl)cc1Cn1c(=O)ccn1C 408525166 NYVCIUZCXNHDKA-UHFFFAOYSA-N 252.701 1.897 0 50 CDAA CC(C)N1CCCC[C@H]1CONC(=N)CN1CCOCC1 408525187 OVZMTXVELRYXCA-AWEZNQCLSA-N 298.431 1.080 0 50 CDAA Cc1nn(CC(=O)N[C@H]2C[C@H](N)C23CCC3)c2ncccc12 1579895535 OSJILEGVNHCKIK-STQMWFEESA-N 299.378 1.126 0 50 CDAA CCC(CC)(CNC(=O)c1cnnc(C)c1)C(=O)O 630151128 PGXATDZNEHYMLF-UHFFFAOYSA-N 265.313 1.406 0 50 CDAA CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2CO)cc1F 277777391 QMHKYBTUFLVLDX-LLVKDONJSA-N 280.299 1.381 0 50 CDAA CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](CO)c2ccccc21 170088409 YXNNMLJUGQECKL-KCPJHIHWSA-N 274.364 1.418 0 50 CDAA COC1(c2noc(-c3cccnc3)n2)CCOCC1 278231982 PSYNTBABARWMLB-UHFFFAOYSA-N 261.281 1.784 0 50 CDAA O=C(NC[C@H](CO)c1ccccc1)c1cccnc1S 170653620 NRPYWINCEQBOIY-GFCCVEGCSA-N 288.372 1.876 0 50 CDAA Cc1ccc([C@H]2COCCN2C(=O)CCc2c[nH]cn2)o1 170608028 JJLQOTKECQIECN-CYBMUJFWSA-N 289.335 1.844 0 50 CDAA CC(=O)NCc1ccc(C(=O)N[C@@H]2CCCOC2)s1 171678589 RXDGEHLRQSXSBH-SNVBAGLBSA-N 282.365 1.293 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)N1Cc2nc(C)nc(O)c2C1 636287138 YUGQDKDZESWBAJ-GWCFXTLKSA-N 291.351 1.538 0 50 CDAA O=C(N[C@@H]1C=C[C@H](CO)C1)c1cn2ccnc2s1 188578386 ZNFXFPXYMVJCNH-DTWKUNHWSA-N 263.322 1.063 0 50 CDAA COCc1ncc2c(n1)CCN(C[C@@H]1CC(C)(C)CO1)C2 639912628 GUIDYPZXKBZSBZ-ZDUSSCGKSA-N 291.395 1.796 0 50 CDAA CC(C)C[C@@H]1COCCN1C(=O)Nc1ccncn1 190708836 CFVJGUXGQBZRJH-LLVKDONJSA-N 264.329 1.755 0 50 CDAA CCc1ccccc1CN1CCC[C@]1(COC)C(N)=O 643822949 GPSKORCBSKFVKU-INIZCTEOSA-N 276.380 1.715 0 50 CDAA CNC(=O)Cn1cc(N[C@@H]2CC(C)(C)C[C@H]2C)cn1 192390930 WGOMIAMMMJLTLF-ZYHUDNBSSA-N 264.373 1.866 0 50 CDAA CN1C[C@@H](C(=O)Nc2ccc3ncsc3c2)CC1=O 192664147 JSYPEKJXXOXYJR-QMMMGPOBSA-N 275.333 1.713 0 50 CDAA C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1cnccn1 193292855 YHFKUSCHQIVKIE-NSHDSACASA-N 290.367 1.890 0 50 CDAA O=C(O)C[C@H](NC(=O)c1ccsc1)C(F)(F)F 710705810 FYQIWWIUTUOPKY-LURJTMIESA-N 267.228 1.884 0 50 CDAA Cc1ccnc(NC(=O)c2cc(OC(F)F)n(C)n2)n1 194649261 VKNVPSSEJHOWGG-UHFFFAOYSA-N 283.238 1.372 0 50 CDAA CO[C@H](CC(=O)N1CCC(C(=O)O)CC1)C(F)(F)F 652051047 SUWDBNVJEUVFST-MRVPVSSYSA-N 283.246 1.277 0 50 CDAA Cc1ocnc1C(=O)N(CCC(=O)O)CC1CC1 195551078 OENXUFGEJQDTTF-UHFFFAOYSA-N 252.270 1.310 0 50 CDAA COc1ccc(S(=O)(=O)N[C@H](C)c2ncc[nH]2)c(C)c1 585115302 VJCLBPAWDIWRGT-SNVBAGLBSA-N 295.364 1.766 0 50 CDAA COC(=O)c1oc(Cn2ncc(=O)nc2SC)cc1C 585122871 DWQUWLJGAAXDCK-UHFFFAOYSA-N 295.320 1.097 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)N(C)Cc1cc[nH]n1 1506401413 JEPMJSLGSADKSS-JTQLQIEISA-N 252.362 1.535 0 50 CDAA O=C(NC[C@@H]1C[C@H]2CCCC[C@@H]2O1)[C@H]1CCCO1 1857527704 JQLPRNDQLWVZOS-MROQNXINSA-N 253.342 1.629 0 50 CDAA CC(C)CN1CCN(c2ccnc(C(C)C)n2)CC1=O 302414877 LZSPIUPVDVVBOG-UHFFFAOYSA-N 276.384 1.905 0 50 CDAA Cn1c(=O)[nH]c2c(C(=O)O)cc(Br)cc21 212681119 DNXZBYHWYHVSEO-UHFFFAOYSA-N 271.070 1.327 0 50 CDAA O=C(c1occc1Br)N1CC(CO)C1 408195842 VPQKPCZHSLYZMC-UHFFFAOYSA-N 260.087 1.106 0 50 CDAA CC1=CC2(CCN(C(=O)Cn3ccnc3C)CC2)OCC1 1704335465 ACHRMEFDJOGLCW-UHFFFAOYSA-N 289.379 1.919 0 50 CDAA Cc1nc[nH]c1CN(CCN(C)C)C(=O)[C@H]1CC=CCC1 1704312298 OYFNXQMOIAZFJQ-AWEZNQCLSA-N 290.411 1.965 0 50 CDAA O=C(N=c1[nH]oc2c1CCCCC2)[C@@H]1CCCOC1 1875302896 LSRMJRPJSWWZML-SNVBAGLBSA-N 264.325 1.731 0 50 CDAA CCOCCCC(=O)N1CC[C@H](CCN(C)C)C1 1615003090 DCCDDEGPPRVSMK-ZDUSSCGKSA-N 256.390 1.603 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NCc3cccc4c3CCNC4)C[C@H]21 1615545282 GFADEYGLEGUTBT-XJNFMUPTSA-N 299.418 1.322 0 50 CDAA CO[C@@H]1CN(C(=O)c2cnn3ccc(N)cc23)CC[C@H]1C 1615616509 NURQVALYHOQVKE-QMTHXVAHSA-N 288.351 1.414 0 50 CDAA Cc1cnc(CN2CCC(c3n[nH]c(C)n3)CC2)cn1 1529185877 RQGAZTPGBXZIDU-UHFFFAOYSA-N 272.356 1.591 0 50 CDAA CC[C@H](OC(C)C)c1nnc2n1CCN(CC)C2=O 1772812072 HSOROQDDMVUCPL-JTQLQIEISA-N 266.345 1.630 0 50 CDAA CCCC[S@@](=O)C[C@H](COC(C)C)OC(C)=O 5102563 NBEBVGRORGVLIO-SJCJKPOMSA-N 264.387 1.892 0 50 CDAA CCC(=O)NCc1nnc(SCC(C)C)n1C 12191613 OCMKXIGSHNQIFT-UHFFFAOYSA-N 256.375 1.589 0 50 CDAA CSCC(=O)N1CCC[C@@H](CCC(=O)N2CCCC2)C1 12708468 KHYSYMITGWSNAM-ZDUSSCGKSA-N 298.452 1.991 0 50 CDAA C[C@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@@H](C)O1 13154947 QNPFRXDZVWZBGY-TXEJJXNPSA-N 269.366 1.626 0 50 CDAA O=C(Cn1c(CO)nc2ccccc21)N1CCCCCC1 15922144 VUTXRAXTFCIECF-UHFFFAOYSA-N 287.363 1.931 0 50 CDAA Cc1c(CN2CCOCC2)c(=O)n(-c2ccccc2)n1C 19229526 KNRWNGXJZKKILJ-UHFFFAOYSA-N 287.363 1.317 0 50 CDAA O=C(NCCOc1cccnc1)[C@H]1CCc2ccccc2O1 19885689 IFXCKTRFWQCVRS-MRXNPFEDSA-N 298.342 1.970 0 50 CDAA Cc1c(C(=O)N2C[C@@H](O)C3(CC3)C2)cnn1-c1ccncc1 1649762394 MOOGOXWLFMWXEN-CQSZACIVSA-N 298.346 1.173 0 50 CDAA CN1C(=O)NCC12CN(C(=O)CSc1ccccc1)C2 1857676896 YUHOMYVVOUSYBH-UHFFFAOYSA-N 291.376 1.015 0 50 CDAA CN(CCc1ccccn1)[C@@H]1CCOC2(CCNCC2)C1 1857721819 HTXZPUYKGZNAML-MRXNPFEDSA-N 289.423 1.857 0 50 CDAA CC(C)=CCCN1CCC2(CC1)CNC(=O)CCO2 1857729270 CLLCJKDORMJMFJ-UHFFFAOYSA-N 266.385 1.714 0 50 CDAA CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@H](C(=O)O)C1 236889810 SXZGCJGVEFYMLE-ZYHUDNBSSA-N 295.310 1.916 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1C[C@H](C)N[C@H](C)C1 153409062 ZAXDHRLYMWGAOW-TXEJJXNPSA-N 276.384 1.724 0 50 CDAA O=C(O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 317231 LKEBDCHEEHJJIQ-QGZVFWFLSA-N 297.310 1.896 0 50 CDAA in-vitro O=C(Nc1ccc(Cc2nnn[nH]2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 225485633 JJYZBBZRWYULTP-FRRDWIJNSA-N 299.334 1.297 0 50 CDAA Cc1cc(C(=O)N[C@H](CC(=O)O)c2cccs2)n[nH]1 237770384 WCJXLSBYXLWUCT-MRVPVSSYSA-N 279.321 1.725 0 50 CDAA O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCNCC1 237804426 HJFBCGGTYGQHLQ-UHFFFAOYSA-N 290.754 1.776 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC[C@@H]1O 249512048 NZTNIJWJOAEUKR-OSMZGAPFSA-N 288.347 1.342 0 50 CDAA CN1CCC[C@@H]1C(=O)NCCC[C@H]1CCCC[C@@H]1O 252515171 HSRYAQWTUWNIRM-MCIONIFRSA-N 268.401 1.528 0 50 CDAA COc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C(=O)O 262156574 PNEKRUSHFSABID-LLVKDONJSA-N 281.283 1.914 0 50 CDAA N[C@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 158471623 GBZJCVYBWLTHRH-DZGCQCFKSA-N 274.364 1.640 0 50 CDAA O=C(NCc1nnc2n1CCOC2)OCc1ccccc1 1875262513 HGXGFTYOVIVAPV-UHFFFAOYSA-N 288.307 1.235 0 50 CDAA O=C(O)C1=CC[C@H](NC(=O)[C@@H](O)C2CCCCCCC2)C1 907725123 XEVJRFJJXQFUCG-KBPBESRZSA-N 295.379 1.997 0 50 CDAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)Cc1ccco1 910207015 YKSDTAPYCMBGDI-ZDUSSCGKSA-N 275.260 1.626 0 50 CDAA CC1(C)C[C@@H](NC(=O)CC2CC2)CCS1(=O)=O 1262347927 SWJGCKISZXAMPG-JTQLQIEISA-N 259.371 1.259 0 50 CDAA COc1ccc(CN(C)CC[C@H]2COCCO2)cc1O 1775977695 LZUBMLOLCRPXBE-ZDUSSCGKSA-N 281.352 1.638 0 50 CDAA CCc1cc(NCc2nocc2C)n2ncnc2n1 1120870871 IEOFVBJAPDRJAJ-UHFFFAOYSA-N 258.285 1.595 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCc2sccc2[C@H]1C 858176092 KONDZQJXFTWWTQ-SNVBAGLBSA-N 278.377 1.838 0 50 CDAA CC(C)(C)NCC(=O)N1CC(=O)Nc2ccccc21 2184245 ZXZGZNBVCRUJOJ-UHFFFAOYSA-N 261.325 1.360 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC1CCCCC1 225750343 GZKYSVJIFDTBCI-WYUUTHIRSA-N 265.309 1.090 0 50 CDAA c1cc(CN2CC[C@H](N3CCOCC3)C2)cs1 121083862 AIIFNEPVKVWJHU-ZDUSSCGKSA-N 252.383 1.655 0 50 CDAA NC[C@H]1CCCN1C(=O)CCOc1ccc(F)cc1 238032706 YJHFZKKFSBHDRI-GFCCVEGCSA-N 266.316 1.544 0 50 CDAA Cc1c([C@H](C)NC(=O)c2ncccc2O)cnn1C 179408117 PVWGUNJFSLTYBR-QMMMGPOBSA-N 260.297 1.320 0 50 CDAA CC[C@H](C)C[C@@H](NC(=O)c1cnsn1)C(=O)O 400531843 VVBXBIIGCOSMSR-NKWVEPMBSA-N 257.315 1.157 0 50 CDAA O=C([C@H]1C=CCN1)N1CC=C(c2ccccc2)CC1 534659556 VYRSVBMOFWNCSE-OAHLLOKOSA-N 254.333 1.830 0 50 CDAA CC[C@]1(O)CCCN(c2nc(C)c(C)cc2C(N)=O)C1 670439923 JBQWPPXVHFOWSH-HNNXBMFYSA-N 277.368 1.539 0 50 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1.533 0 50 CDAA CNS(=O)(=O)c1ccc(OC)c2ccccc12 528679 USGIJMBUICZPNB-UHFFFAOYSA-N 251.307 1.757 0 50 CDAA CC(C)(CN1CCOCC1)c1nccn1[C@@H]1CCOC1 1857678585 OOMVLHWLTKHSKQ-CYBMUJFWSA-N 279.384 1.454 0 50 CDAA CCOC(=O)COc1ccc(/C=C/C(=O)O)cc1OC 5952813 CILJPPPIXCDERR-FNORWQNLSA-N 280.276 1.735 0 50 CDAA COc1cnc(C(=O)N[C@@H]2C[C@@H](N)C23CCC3)c(F)c1 1649141353 CMHDIMDVYCBXCK-GHMZBOCLSA-N 279.315 1.229 0 50 CDAA COc1cccc(C(=O)NCCC(=O)NC2CCCC2)c1 16626315 DLKQADVQDHZROA-UHFFFAOYSA-N 290.363 1.874 0 50 CDAA Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)CC(=O)N2 17029172 UPIYLAPAACHMRG-SNVBAGLBSA-N 255.277 1.552 0 50 CDAA CCOC(=O)CNC(=O)N[C@H](C)Cc1ccccc1 19299959 QDLSGBNUAFMRDX-LLVKDONJSA-N 264.325 1.480 0 50 CDAA COc1cnc(C)cc1C(=O)N1CCc2nc(C)[nH]c2C1 1857699688 ZTAYCPXRRSETQO-UHFFFAOYSA-N 286.335 1.629 0 50 CDAA CC1(C)CC[C@@H](N2CCN(CCn3cncn3)CC2)C1 1857675107 LGJSBYICKIMJFZ-CQSZACIVSA-N 277.416 1.474 0 50 CDAA O=C1C[C@]2(CCCN(c3ncnc4[nH]ccc34)C2)CN1 525707528 ILUODIBELYIEFA-CQSZACIVSA-N 271.324 1.064 0 50 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Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cnc[nH]1 222380943 GLGDUXOPNMFGHN-UHFFFAOYSA-N 261.329 1.454 0 50 CDAA COC(=O)c1c(I)ccnc1N 221286977 BWWKJMSGHLCOSP-UHFFFAOYSA-N 278.049 1.055 0 50 CDAA Cn1ccnc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222417465 QESQVSMPROYYIW-DGAVXFQQSA-N 289.379 1.744 0 50 CDAA Cc1csc([C@@H](C)NC(=O)c2cncn2C)n1 334852712 LLFZKKVLLCQDGD-MRVPVSSYSA-N 250.327 1.676 0 50 CDAA CCc1nccn1CC1(CNC(=O)c2cnc[nH]2)CC1 426484949 ZEKARENTMCDIHS-UHFFFAOYSA-N 273.340 1.379 0 50 CDAA CC(C)CN1CC[C@@H](C(=O)NC(C)(C)CCC(=O)O)C1 236769754 TUGRDOHVMRZZOL-GFCCVEGCSA-N 284.400 1.724 0 50 CDAA C[C@@H]1CN(CCCn2cccn2)C[C@@]1(O)C1CCC1 91635561 HSCKKJPKZCPESK-HIFRSBDPSA-N 263.385 1.756 0 50 CDAA CCOC(=O)Cn1cc(C=O)c(-c2cccnc2)n1 616582986 SKYZBLLSMFUPRA-UHFFFAOYSA-N 259.265 1.321 0 50 CDAA NC(=O)OCCNC(=O)Cc1ccc(F)cc1Cl 181183555 KPWZPZZXZZPVCS-UHFFFAOYSA-N 274.679 1.233 0 50 CDAA CNc1nc(C)c(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)s1 91988400 HABRMPKVUGUTOZ-ZJUUUORDSA-N 280.397 1.303 0 50 CDAA CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]1C)C(=O)O 236948520 IATHNRIDXUGMGQ-UMNHJUIQSA-N 256.346 1.086 0 50 CDAA Cc1cc(CC(=O)N2Cc3nnc(C)n3[C@H](C)C2)on1 96149549 NAZLRIQNCUMFEH-SECBINFHSA-N 275.312 1.029 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCCO)cc1)C2 92037556 RZYIXOFWCHKFDC-JKSUJKDBSA-N 290.407 1.584 0 50 CDAA COc1ccccc1OC1CN(c2nccnc2OC)C1 96131547 GHOLEMZLRPZUTD-UHFFFAOYSA-N 287.319 1.761 0 50 CDAA Cc1ccc(-n2cc(CN3CC[C@@H]3C(=O)O)cn2)cc1 244840240 UJPBDFWWAUOKSM-CQSZACIVSA-N 271.320 1.840 0 50 CDAA CC(C)N1CCN(c2cc([C@H]3C[C@@H](N)C3)ncn2)CC1 244893099 YVTJYJVFTVHGQA-BETUJISGSA-N 275.400 1.212 0 50 CDAA CCN(CC)[C@H]1CCN(CCn2nccc2C)C1 244882546 XTWISRVKOZLYRU-AWEZNQCLSA-N 250.390 1.608 0 50 CDAA CNC(=O)[C@H]1CCCCN1Cc1cc(C2CC2)on1 240228060 KFODXRXBIBBBOC-GFCCVEGCSA-N 263.341 1.653 0 50 CDAA Cc1ncc(CNC(=O)C2CCN(CC(F)F)CC2)o1 622691941 HWBPJMIXLRCZFE-UHFFFAOYSA-N 287.310 1.576 0 50 CDAA Cn1cc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cn1 623355017 UCCJMCNSEQPYQI-NSHDSACASA-N 284.319 1.412 0 50 CDAA C[C@@H](NC(=O)NCCc1ccccn1)C1=CCN(C)CC1 253424920 UXTZWBMHLDTKAS-CYBMUJFWSA-N 288.395 1.574 0 50 CDAA COc1ccc(CNC(=O)C[C@H]2CCCO2)cc1C(=O)O 299753030 WODHHAVPENPMKM-LLVKDONJSA-N 293.319 1.579 0 50 CDAA Cc1cnn([C@@H](C)CNC(=O)c2cnccc2C)c1 534587335 TZBLVNIPXVHHDG-LBPRGKRZSA-N 258.325 1.886 0 50 CDAA O=C(CCN1CCNCC1)NC1CCCCCCC1 534578969 ZIYKLRYBPNLKMQ-UHFFFAOYSA-N 267.417 1.511 0 50 CDAA Cc1ccn2nc(C(=O)N3CCC[C@H](N)C3)cc2c1 534662456 BRZDWAPSISNBHG-NSHDSACASA-N 258.325 1.206 0 50 CDAA CCCc1nc(N2CCC[C@@]3(CCNC3)C2)no1 534587817 WWSIXGJBUWILHM-ZDUSSCGKSA-N 250.346 1.602 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1ccccc1-n1ccnc1 361503921 KSLXHIBUDJGSBX-CYBMUJFWSA-N 285.347 1.915 0 50 CDAA c1ccc(C2CCN([C@@H]3CNCCOC3)CC2)cc1 299804108 ZTSJOCXYRZHPSP-MRXNPFEDSA-N 260.381 1.854 0 50 CDAA CN1CCN([C@H]2CCN(C(=O)Cc3ccsc3)C2)CC1 299759737 RAECCSKRTOZUBK-AWEZNQCLSA-N 293.436 1.139 0 50 CDAA CCCCS(=O)(=O)NCc1cc(-c2cccnc2)no1 822880397 DZFAFQYQPNQRRJ-UHFFFAOYSA-N 295.364 1.956 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)C(=O)C[C@H]1CCOC1 584902849 ZZDMBVQEVBBIRB-CYBMUJFWSA-N 279.384 1.844 0 50 CDAA CC[C@]1(O)CCCN(C(=O)CCCN2CCCC2=O)C1 584893933 CCRVLZUUWXSLGC-HNNXBMFYSA-N 282.384 1.153 0 50 CDAA Cc1nc[nH]c1C(=O)N1CCC(Oc2ccncc2)CC1 670457490 YQBMHFVVPBVQLS-UHFFFAOYSA-N 286.335 1.797 0 50 CDAA NCC[C@H]1CN(C(=O)c2ccc(N)nc2)c2ccccc21 1548578140 IROGLHIFNOWNKW-LBPRGKRZSA-N 282.347 1.757 0 50 CDAA O=C1C[C@H](NC[C@@H](c2ccco2)N2CCCC2)CCCN1 630060068 GZHQSVKNUQZXHR-KGLIPLIRSA-N 291.395 1.675 0 50 CDAA COc1cccc2c1CN(C(=O)NC1CC3(C1)C[C@H]3N)C2 1551570306 BFSPCDKVFWGMCC-OFWKBQFLSA-N 287.363 1.600 0 50 CDAA Cc1cc(CS(=O)(=O)N2CC[C@H](C)[C@@H](C)C2)no1 271049543 PJQSPAWNQKUZBO-UWVGGRQHSA-N 272.370 1.791 0 50 CDAA N=c1[nH]c2c(s1)CN(C(=O)c1cc3cccnn3c1)CC2 1875281712 RGBZRJITRFLISZ-UHFFFAOYSA-N 299.359 1.402 0 50 CDAA COCCCN=c1ccc(C(=O)N2CC[C@@H](C)C2)c[nH]1 1875323176 ADMADCYONIHYLN-GFCCVEGCSA-N 277.368 1.434 0 50 CDAA Cc1nccc(C2(NC(=O)/C=C/CN(C)C)CC2)n1 1875374541 VVPNSPTVSPSSLX-SNAWJCMRSA-N 260.341 1.008 0 50 CDAA CO[C@H]1C[C@@H](NC(=O)/C=C/CN(C)C)C12CCC2 1875379376 RYKMVEQSDOKZGW-XCOQAZTISA-N 252.358 1.178 0 50 CDAA CC1(C)C[C@H]1C(=O)N[C@@H](CC(=O)O)c1ccccn1 1875393471 GGUUVJVQHOOMPX-ONGXEEELSA-N 262.309 1.760 0 50 CDAA Oc1n[nH]c(CNCC2=Cc3cc(Cl)ccc3OC2)n1 952868369 MBWYFRHTRVPMEM-UHFFFAOYSA-N 292.726 1.729 0 50 CDAA CN(C)c1cccc(Cn2nnc(-c3cscn3)n2)n1 1459276112 VOGQLYVTGJATDC-UHFFFAOYSA-N 287.352 1.306 0 50 CDAA Cc1ccnc(N2CCN(c3ccncc3)[C@H](C)C2)n1 882821910 NXXNDAIAQAXUET-CYBMUJFWSA-N 269.352 1.895 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(CCOC2)[C@H](C(=O)O)C1 958720167 AIGLESZXGPKCOR-IINYFYTJSA-N 285.340 1.735 0 50 CDAA C[C@@H](Cn1cc(C(=O)O)cn1)NC(=O)OC(C)(C)C 1772716116 QOQIFDGXHRRXNM-QMMMGPOBSA-N 269.301 1.495 0 50 CDAA O=C(c1cocn1)N1CCCC[C@@]12CCCOC2 1339385669 ZXTUKTDGPJONRF-ZDUSSCGKSA-N 250.298 1.850 0 50 CDAA Cc1nc2n(n1)C[C@@H](C(=O)N(C)Cc1ccc[nH]1)CC2 1775987939 UFUBPPVKCDGBTF-NSHDSACASA-N 273.340 1.136 0 50 CDAA CCCNC(=O)CN1CCC[C@H](c2cn[nH]c2)C1 1775986309 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585094384 VIXKFRIAOXECHC-UHFFFAOYSA-N 253.309 1.844 0 50 CDAA c1ccc2c(c1)OCC[C@H]2c1nc(Cn2ccnn2)no1 585120240 BCZWHNVUYMTBGB-LLVKDONJSA-N 283.291 1.624 0 50 CDAA CCC1(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)COC1 562829321 TYEPGHMNYDRKBV-ZDUSSCGKSA-N 288.347 1.576 0 50 CDAA C[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@H](C(=O)O)O1 656244197 FDDLPKWGOMATHG-QMTHXVAHSA-N 289.331 1.878 0 50 CDAA CC(=O)N1CC[C@H](CNc2ncnc3[nH]ccc23)C1 663913168 DISPHCUFIXWABV-SNVBAGLBSA-N 259.313 1.238 0 50 CDAA OCc1ccc(Cn2cc([C@H]3CCCNC3)nn2)cc1 95370306 ZDVGBCFIPPPMAT-AWEZNQCLSA-N 272.352 1.286 0 50 CDAA C[C@@H](c1ncnn1C)n1ccnc1-c1cnsc1 1875250578 NLFYGTYVWMZVHS-QMMMGPOBSA-N 260.326 1.744 0 50 CDAA CCC[C@H]1CN(C(=O)C(=O)c2cccn2C)C[C@@H]1C(=O)O 219399759 CCACJRQDCKKOQB-QWRGUYRKSA-N 292.335 1.167 0 50 CDAA O=C(N[C@H]1CCSC1)c1ccc(C(=O)O)nc1 231728668 ZVHYKHRLRYYNHG-QMMMGPOBSA-N 252.295 1.015 0 50 CDAA Cc1nn(C)c(C)c1NC(=O)N1CCCO[C@H](C)C1 331449510 LOKSRTYTEQKFNK-SECBINFHSA-N 266.345 1.680 0 50 CDAA 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297.376 1.087 0 50 CDAA NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 5388440 YHNAKWAGVHNTHG-UHFFFAOYSA-N 263.684 1.049 0 50 CDAA COc1ccc(NC(=S)NCCNC(C)=O)cc1 13518729 XKEDIMBTDMGRNP-UHFFFAOYSA-N 267.354 1.118 0 50 CDAA C[C@H]1CC(=O)NN=C1c1ccc(-n2ccnc2)cc1 13609781 AEZZPAQOEUQNBB-JTQLQIEISA-N 254.293 1.732 0 50 CDAA in-vivo Cc1n[nH]c(SCc2nc(C[C@H]3CCCO3)no2)n1 19143510 NHQIJLLENXMXCW-MRVPVSSYSA-N 281.341 1.510 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2O 19322916 WXNUNWXFURQWFF-UHFFFAOYSA-N 258.365 1.704 0 50 CDAA biogenic COc1ccc(/C=C/C(=O)O)cc1CN1CCOCC1 6230683 LRCBHFOYDOGHQV-HWKANZROSA-N 277.320 1.625 0 50 CDAA CC(C)c1cc(CNC(=O)[C@]2(C)CCCO2)on1 151675326 SAVGARIVMMRXCQ-ZDUSSCGKSA-N 252.314 1.983 0 50 CDAA CC1CC(NC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)C1 1857529612 MHHRLAAWHROGHM-MXAZLMSGSA-N 263.341 1.960 0 50 CDAA Cc1c(S(=O)(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)cnn1C 1857674214 XVPWFBOBBDGHCR-XQQFMLRXSA-N 297.424 1.833 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2CN)nn1C 236599819 GGVVZINHSUBEPM-FZMZJTMJSA-N 278.400 1.743 0 50 CDAA Cn1ccc(CCNC(=O)C2CN(C3CCCCC3)C2)n1 457709243 MIYYRGNNXBUNIG-UHFFFAOYSA-N 290.411 1.343 0 50 CDAA O=C(O)C1(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1 118966372 IEKPRKTUZZLXOF-WDEREUQCSA-N 263.268 1.663 0 50 CDAA COc1cccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c1F 121272257 IXMDWAPGJZELTE-VIFPVBQESA-N 292.310 1.327 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc(OC)nc1 428297932 BBXXFSDEPYCZDK-STQMWFEESA-N 278.352 1.912 0 50 CDAA C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1nc[nH]n1 631318209 MDLXFYWLKGDPSH-WCQYABFASA-N 270.336 1.752 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)COCc1ccccc1Cl 238068624 UEFYLAZCFHTKKY-GFCCVEGCSA-N 297.738 1.932 0 50 CDAA Cc1cc2oc(=O)cc(CN3CCN(C)CC3)c2cc1O 19371213 IEGHGSHWFWPUAB-UHFFFAOYSA-N 288.347 1.554 0 50 CDAA COc1ccc(C)cc1CCNC(=O)CNCC1CC1 150762627 QIKZWZKUJKCURG-UHFFFAOYSA-N 276.380 1.662 0 50 CDAA COc1ccnc(N[C@H]2CC[C@H](C(F)(F)F)N(C)C2)n1 583616706 FYQNJSUWWNBVDI-DTWKUNHWSA-N 290.289 1.922 0 50 CDAA O=C(CS(=O)(=O)C1CC1)N1Cc2cccc(Cl)c2C1 832629242 RKNODRCRKLRJCJ-UHFFFAOYSA-N 299.779 1.759 0 50 CDAA Cc1nocc1NC(=O)NC[C@H]1CCCN1CC(F)F 931813453 YINYTLSOWFFPSK-SECBINFHSA-N 288.298 1.834 0 50 CDAA CCCc1ccccc1C(=O)N1CCn2ncnc2C1 935441743 DUSWFCCEUFETPE-UHFFFAOYSA-N 270.336 1.887 0 50 CDAA CCCc1nc(C(=O)N2CCOC[C@@H](C(=O)O)C2)cs1 1772813070 UWAZXQZCVWTWNW-VIFPVBQESA-N 298.364 1.269 0 50 CDAA CCS(=O)(=O)N1CCN([C@H]2CCC[C@H](C)C2)CC1 19850716 DSKJNSAMSJTGHR-STQMWFEESA-N 274.430 1.532 0 50 CDAA COc1ccccc1OC[C@H](O)CNC1CCCC1 8844712 QBFYTUOJUHHBLM-CYBMUJFWSA-N 265.353 1.967 0 50 CDAA O=C(O)[C@@H]1CC12CCN(C(=O)c1cccnc1)CC2 262412753 YEICUJLQKSTYAK-NSHDSACASA-N 260.293 1.409 0 50 CDAA COc1ccc(CN[C@@H](C)c2nncn2C)cc1O 37016743 PMMYCVJUDOJDJV-VIFPVBQESA-N 262.313 1.380 0 50 CDAA Cc1nscc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)O 262990345 OATFTSJYLWENGO-IQJOONFLSA-N 280.349 1.777 0 50 CDAA O=C(NC1Cc2ccccc2C1)N1CCC[C@H]1CO 184921952 KRNQZFQDRBTTSW-AWEZNQCLSA-N 260.337 1.320 0 50 CDAA O=C1CC[C@@H](NC(=O)C(C2CCC2)C2CCC2)C(=O)N1 312939313 HIZKSHXHGFORPH-LLVKDONJSA-N 278.352 1.124 0 50 CDAA CO[C@H]1C[C@@H](CO)N(c2ccnc(C(F)(F)F)c2)C1 343362469 JIXKBFHLGHUCJZ-UWVGGRQHSA-N 276.258 1.686 0 50 CDAA COc1ccc2c(c1)C[C@@H](NCCn1cncn1)CC2 382035637 SXFAMCMREFOWAR-AWEZNQCLSA-N 272.352 1.434 0 50 CDAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCN3)cc2)c1C 2325824918 VKDNVRYGFNCLDE-AWEZNQCLSA-N 270.336 1.790 0 50 CDAA Cc1nc(Cn2cc(COc3cccc(O)c3)nn2)co1 2325863710 UNMRJUAGBMPKTA-UHFFFAOYSA-N 286.291 1.907 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1Cl 227699 PSVZDOYIZKOBFY-SECBINFHSA-N 297.767 1.934 0 50 CDAA CC1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 421280 MDEVBGYONZGAAD-UHFFFAOYSA-N 271.324 1.534 0 50 CDAA CCOC(=O)[C@H]1C(=O)N=C(N2CCCCC2)N[C@@H]1C(C)C 2441151 QCAZAEYHWCNBBL-VXGBXAGGSA-N 295.383 1.162 0 50 CDAA CC1=C(C(N)=O)[C@H](c2ccc(C)cc2)NC(=S)N1 4151823 DRALOQBQFIUTMA-NSHDSACASA-N 261.350 1.273 0 50 CDAA COc1cc2c(cc1OC)[C@@H](C(=O)O)CC(=O)N2 4698375 YXVMJMFYNJWXET-ZETCQYMHSA-N 251.238 1.214 0 50 CDAA Fc1cc(F)cc(NC(=S)N2CCOCC2)c1 4741399 SIAIOXLJHKXGCF-UHFFFAOYSA-N 258.293 1.994 0 50 CDAA O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@@H](O)CN1 4899558 RPDYJTXWIGUABB-KGLIPLIRSA-N 256.305 1.501 0 50 CDAA in-vitro O=C(N[C@H]1CCOC1)c1ccc(-c2ccccc2)[nH]c1=O 225502410 RWMDIUVMYMANLN-LBPRGKRZSA-N 284.315 1.561 0 50 CDAA Cn1c(S)nnc1COc1ccc2c(c1)OCO2 8730383 MFBGSWQZWQISKJ-UHFFFAOYSA-N 265.294 1.412 0 50 CDAA O=C(O)c1cccc(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1 416423044 RDYCLCLXDDHQMB-IJLUTSLNSA-N 276.336 1.767 0 50 CDAA Cc1nsc(NC(=O)N[C@@H]2CCCN(C)C2)n1 55224989 XCMVRRXCHUGLGM-MRVPVSSYSA-N 255.347 1.062 0 50 CDAA CN[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1F 107272485 ABMWQTWKPOPMIO-OLZOCXBDSA-N 266.316 1.955 0 50 CDAA Nc1nc(SCC(=O)N2CCc3sccc3C2)n[nH]1 14212933 HCRFXAIHDRPSDI-UHFFFAOYSA-N 295.393 1.125 0 50 CDAA Cc1cccc(C)c1NC(=O)CCn1ccc(=O)[nH]c1=O 170559553 OSQBWYPSTUHDPR-UHFFFAOYSA-N 287.319 1.182 0 50 CDAA COC[C@@H]1CCCCN1C(=O)Nc1nncs1 63856476 RJLXTGOJPWEFNW-QMMMGPOBSA-N 256.331 1.571 0 50 CDAA O=C(O)CSC(=S)Nc1ccc(O)c(C(=O)O)c1 22591511 CQRBPWBNDIMPRF-UHFFFAOYSA-N 287.318 1.605 0 50 CDAA O=C(OCCn1cccn1)c1n[nH]c2ccccc12 140571919 PHQWFOGRKGNSME-UHFFFAOYSA-N 256.265 1.616 0 50 CDAA c1ccc(-c2ncc(CN3CC[C@H]4CC[C@@H](C3)N4)cn2)nc1 65462815 MKGUVUSVNZBZLJ-CABCVRRESA-N 295.390 1.865 0 50 CDAA CCCCO[C@@H](C)C(=O)N1CCO[C@@H](c2nnc(C)o2)C1 328610267 HEOKHWNBDRZXAB-CMPLNLGQSA-N 297.355 1.483 0 50 CDAA Cc1cc(C)cc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)c1 20119769 YTVXTYTUNWZBPD-CQSZACIVSA-N 288.347 1.268 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCCC[C@@H]1c1cc[nH]n1 861664942 GIKAKYMGFAOLEX-GFCCVEGCSA-N 276.340 1.108 0 50 CDAA COc1cc2[nH]c(C(=O)O)c(N)c2c(OC)c1OC 1235071 OWRSSCREJFJDJL-UHFFFAOYSA-N 266.253 1.474 0 50 CDAA NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 1383960 NCBRFKPYGMLVFP-CKUJCDMFSA-N 290.322 1.752 0 50 CDAA O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1458124 LPHNSRGOBYCMLU-LLVKDONJSA-N 269.322 1.314 0 50 CDAA Cc1c[nH]nc1C(=O)NC[C@H](CC(=O)O)CC(C)C 257669186 IBBXYGXEQFAYDO-JTQLQIEISA-N 267.329 1.585 0 50 CDAA Cc1ccc2nc(CNC(=O)[C@@](C)(O)C3CCC3)cn2c1 362614758 GUAACIAYSBWUHK-INIZCTEOSA-N 287.363 1.810 0 50 CDAA O=C(Cc1ccc(O)cc1Cl)N1CCC[C@@H]1CO 154064886 IPDFKQOMGAVKQU-SNVBAGLBSA-N 269.728 1.571 0 50 CDAA Cc1noc([C@@H](C)Nc2ccc3c(c2)C(=O)NCC3)n1 605007973 ONDKXBSPNWEMOX-MRVPVSSYSA-N 272.308 1.837 0 50 CDAA CC(C)Cc1cc(CNC(=O)CCn2cncn2)on1 219500609 YKSMTOAEXGCEDI-UHFFFAOYSA-N 277.328 1.171 0 50 CDAA O=C1C[C@@H](NC2CC(c3ccccn3)C2)CN1C1CC1 377659998 SAJGVZKBRLMFNQ-WXRRBKDZSA-N 271.364 1.681 0 50 CDAA OC[C@H]1COCCN1Cc1cnc(-c2cccs2)nc1 214957447 FBMAIQGRDRUCBZ-LBPRGKRZSA-N 291.376 1.398 0 50 CDAA NC[C@@H]1CCCN1C(=O)c1ccn(-c2ccccc2F)n1 237974198 MLFSAGRWRIBHGD-NSHDSACASA-N 288.326 1.575 0 50 CDAA CC[C@@H](NC(=O)CCCn1cncn1)c1ccncc1 124649190 WUFPDUIEMXPKHX-CYBMUJFWSA-N 273.340 1.721 0 50 CDAA O=C(CCn1ccnn1)NC1CCC(F)(F)CC1 330434229 LMJCTFGAPGDOQY-UHFFFAOYSA-N 258.272 1.362 0 50 CDAA CC(C)NC(=O)CN1CCc2c(sc(N)c2C#N)C1 125108587 GTKGMPJBBZKQLS-UHFFFAOYSA-N 278.381 1.085 0 50 CDAA C[C@@H]1OCC[C@@H]1C(=O)N(CCCO)Cc1ccccn1 331093602 YNFPDJFPAPESAP-JSGCOSHPSA-N 278.352 1.218 0 50 CDAA O=c1c2nnc3ncnn3c2ccn1-c1ccc(Cl)cc1 71385047 XFOPNXIZWAVBCG-UHFFFAOYSA-N 298.693 1.477 0 50 CDAA Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2CC(=O)O)n1 262908358 JHFZDWSQRIUWPY-OLZOCXBDSA-N 293.367 1.917 0 50 CDAA CN(C(=O)C[C@@H]1CCCCNC1=O)C1CCC(CO)CC1 375625179 NJRMONWRNNZXAG-MOKVOYLWSA-N 296.411 1.302 0 50 CDAA Cc1ccc(C[C@H](CO)NC(=O)C2(C)COC2)cc1 331821851 BYAQVMHAEKCTMS-CYBMUJFWSA-N 263.337 1.051 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCCO1 215388453 RPZFIZZSTLTZFM-LBPRGKRZSA-N 251.330 1.206 0 50 CDAA CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](CNC)C1 236765535 HGDZUPIHBXPBAJ-KBPBESRZSA-N 267.417 1.319 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)N2CC[C@@H](n3cccn3)C2)C1 333903962 UFAFXPTZRYYAET-UPJWGTAASA-N 278.356 1.407 0 50 CDAA Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H](N)C3)nc12 237734948 VVSQXSMBDZHTFI-LLVKDONJSA-N 272.352 1.364 0 50 CDAA Cn1cc(C2CCN(C(=O)[C@H]3CCC[C@@H]3N)CC2)cn1 237892705 VDPSSSXFCLJSAB-KBPBESRZSA-N 276.384 1.254 0 50 CDAA CNC(=O)[C@@H]1CCCC[C@@H]1NCc1nc(C(C)(C)C)no1 131060765 LWHMYPTYHWDGTQ-MNOVXSKESA-N 294.399 1.762 0 50 CDAA CCOC(=O)N[C@H](CN[C@@H]1CCN2CCC[C@H]2C1)C1CC1 240333296 FCULVMSQGYSJCJ-QLFBSQMISA-N 295.427 1.728 0 50 CDAA COCc1noc(Cn2cnc3ccc(C)cc3c2=O)n1 43139763 DIZXKCHOBLXEPS-UHFFFAOYSA-N 286.291 1.283 0 50 CDAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@@H]1c1ccco1 240897347 ISHYXLRWOVFKRZ-RHYQMDGZSA-N 276.336 1.496 0 50 CDAA Cn1cc[nH]c(=N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1=O 329722606 CKQNTWODFJPGOI-JOCQHMNTSA-N 299.378 1.432 0 50 CDAA CCCn1nccc1-c1ccc(N2CCN(C)CC2)nn1 426361932 KTVWUNKPDYIVMK-UHFFFAOYSA-N 286.383 1.502 0 50 CDAA COc1cc(C(=O)N2[C@H]3COC[C@H]2C3)c2ccccc2n1 614578186 VVPROQLKCGDJAK-GHMZBOCLSA-N 284.315 1.857 0 50 CDAA C[C@H](C(=O)N1CC[C@@H](CN)C1)c1ccccc1F 178581283 HKPLZQSDMFZEHQ-QWRGUYRKSA-N 250.317 1.736 0 50 CDAA Cc1nn2cc(CNC(=O)N3CCSCC3)nc2s1 426371229 ZBDYNTXSQBGZFI-UHFFFAOYSA-N 297.409 1.358 0 50 CDAA COCc1nc([C@@H]2CCOC2)cc(N2CCCC2)n1 426402134 WEKXBODCWVTJFF-LLVKDONJSA-N 263.341 1.727 0 50 CDAA CCS[C@@H](C)C(=O)N(CC)CCn1cccn1 223493814 XOCBITJDUHUJED-NSHDSACASA-N 255.387 1.873 0 50 CDAA C[C@H](NC(=O)C1(c2ccc(N(C)C)cc2)CC1)c1nc[nH]n1 293392991 JKUDZWGMJUQZTE-NSHDSACASA-N 299.378 1.780 0 50 CDAA Cn1nccc1CN1CCN(C(=O)Cc2ccccc2)CC1 179980265 DYLZNUYFCJFXDB-UHFFFAOYSA-N 298.390 1.307 0 50 CDAA Cc1csc(S(=O)(=O)N2CCC[C@](C)(O)C2)c1 336274221 IGYUUYNDCBJPHU-NSHDSACASA-N 275.395 1.592 0 50 CDAA CCN1CCC(CC(=O)N[C@H](C)c2nnc(N)s2)CC1 95500704 WDWXRBNWJJQJML-SECBINFHSA-N 297.428 1.420 0 50 CDAA O=C1NCCCc2[nH]c(-c3noc(C4CC4)n3)nc21 95510244 COQNVQVSRRUBCV-UHFFFAOYSA-N 259.269 1.013 0 50 CDAA CC(C)[C@]1(O)CN(c2ncnc3c2CCC3)C[C@H]1C 91873070 YWYBFHWTURMCDF-IAQYHMDHSA-N 261.369 1.809 0 50 CDAA O=C(NC[C@@H]1CCCOC1)c1cnc(C2CC2)nc1 294562116 TUTOFYRBGUBDEG-JTQLQIEISA-N 261.325 1.510 0 50 CDAA O=C1C[C@H](SCCO)C(=O)N1c1ccccc1 96113615 PQVCXEXYFGTUCC-JTQLQIEISA-N 251.307 1.044 0 50 CDAA CN1CN(Cc2cc(Br)ccc2F)CC1=O 335331156 ZZGORUIZEIBQSP-UHFFFAOYSA-N 287.132 1.820 0 50 CDAA CN(C)C(=O)N1CCC(c2nc([C@H]3CCOC3)no2)CC1 96150512 VIICMYMAJNZXIY-NSHDSACASA-N 294.355 1.435 0 50 CDAA CC[C@H](NC(=O)c1nnc2n1CCCCC2)[C@H]1C[C@@H](O)C1 244716037 LHCVFCNTLPPJOH-TUAOUCFPSA-N 292.383 1.284 0 50 CDAA O=C(C[C@H]1CCCO1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 245312387 IXRZZWNCVDJBGC-JONQDZQNSA-N 292.423 1.888 0 50 CDAA CCc1nnc(CN(C)CC(=O)NC2CCCCCC2)o1 240824911 QLXCRHYCWGYMBI-UHFFFAOYSA-N 294.399 1.903 0 50 CDAA CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H](C)[C@@H]1C 183457425 AXQOBPOXKMBDCO-GVXVVHGQSA-N 270.373 1.173 0 50 CDAA Cc1ccnc(O)c1C(=O)N1CCN2CCCC[C@H]2C1 183647010 YUGBFDAJSHJWGM-LBPRGKRZSA-N 275.352 1.406 0 50 CDAA COc1nc(C(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)co1 627351569 WPMJFJPUMNJAGH-MNOVXSKESA-N 280.324 1.713 0 50 CDAA Cc1ccn(CCN(C)Cc2cccc(-c3nnn[nH]3)c2)n1 252509515 YOXVVUXUBNDENG-UHFFFAOYSA-N 297.366 1.504 0 50 CDAA COc1ccc(CNC(=O)[C@H]2CCCNCC2)cc1OC 534637064 JWSXKSPLZXRIQX-ZDUSSCGKSA-N 292.379 1.710 0 50 CDAA O=C(Cc1ccc2c(c1)OCO2)NC1(C(=O)O)CCC1 263147383 LBDNVPCOPXHFOU-UHFFFAOYSA-N 277.276 1.081 0 50 CDAA CCCN(CC)c1ccc(C(=O)N(C)[C@H](C)C(=O)O)cn1 262875191 KBUZAZYZBHNCLK-LLVKDONJSA-N 293.367 1.863 0 50 CDAA COc1ccc(S(=O)(=O)N(C)CC2(C)COC2)cc1C 625408099 GECASBVKYCXBOS-UHFFFAOYSA-N 299.392 1.661 0 50 CDAA COC(CNC(=O)c1cc(-c2cccc(F)c2)[nH]n1)OC 1775972886 AEKWLIAIAHHKHT-UHFFFAOYSA-N 293.298 1.565 0 50 CDAA Cc1ncccc1C(=O)NC1(C(N)=O)CCCCCC1 299794795 KSVBTQPFTITLCC-UHFFFAOYSA-N 275.352 1.698 0 50 CDAA Cn1nc2cc(Br)ccc2c1S(=O)(=O)O 575447643 AJZJOJBAKCBNEW-UHFFFAOYSA-N 291.126 1.583 0 50 CDAA CCOC(=O)N1CC[C@@H](N2CCc3nc(C)[nH]c3C2)C1 823241532 MEDSOHVOAUUFAW-LLVKDONJSA-N 278.356 1.307 0 50 CDAA CCCn1nc(C)c(Cn2cnc3nccnc3c2=O)c1C 584897987 SAIKOOYLPJCLMK-UHFFFAOYSA-N 298.350 1.458 0 50 CDAA CC[C@@H](c1ccnn1C)n1cnc2cnccc2c1=O 584899877 NKCLWXFIHXMGKX-LBPRGKRZSA-N 269.308 1.524 0 50 CDAA CC(C)(CNS(=O)(=O)CC1CCCC1)N1CCCC1 828387654 DNLGITPPVYLFTN-UHFFFAOYSA-N 288.457 1.970 0 50 CDAA Cc1nonc1CN(C)C[C@H]1Cc2ccccc2O1 670473485 AMGQZDQUDWTRHR-GFCCVEGCSA-N 259.309 1.814 0 50 CDAA CC[C@@H](C(=O)NC(C)(C)C)N1CCc2n[nH]c(C)c2C1 670468156 RXNNXPUZDNKGLH-ZDUSSCGKSA-N 278.400 1.770 0 50 CDAA Cc1nc(O)c2c(n1)CN(C(=O)c1cccn1C1CC1)C2 670460719 CTVYASFIXYROIU-UHFFFAOYSA-N 284.319 1.783 0 50 CDAA COc1ccc2nc(CNC(=O)c3c(C)ncn3C)[nH]c2c1 670459481 AWGZNBCJUQVJNU-UHFFFAOYSA-N 299.334 1.543 0 50 CDAA CCCN1C[C@H](NC(=O)C(C)(C)n2cccc2)CC1=O 670445947 ZMBULQKAGHKSNB-GFCCVEGCSA-N 277.368 1.350 0 50 CDAA CCC1CCN(CCNc2ccc(C(N)=O)cn2)CC1 670462296 YIUAVPVJQCDAOM-UHFFFAOYSA-N 276.384 1.714 0 50 CDAA O=C(O)[C@]12CCC[C@H]1N(c1ncnc3n[nH]cc13)CC2 871868172 TVFSCJKSWPGLLX-RNCFNFMXSA-N 273.296 1.187 0 50 CDAA NC[C@@H]1CCCN[C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 757216159 YCCRSESSTVICKV-ZDCRXTMVSA-N 265.323 1.244 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)NCCc1ccc(F)c(F)c1)C2 1553472004 DAWYOUHNSRBKLR-NHYWBVRUSA-N 295.333 1.640 0 50 CDAA O=c1cc(-c2ccccc2)ncn1CC1(O)CCC1 1875279305 OMJXIVLWWXPDIN-UHFFFAOYSA-N 256.305 1.825 0 50 CDAA COc1ccc(-c2cn([C@@H]3CCC[C@H]3O)nn2)nc1C=O 1875387973 IEZJRKVJVHCIPN-CHWSQXEVSA-N 288.307 1.247 0 50 CDAA COC(=O)/C=C/CCNC(=O)c1noc2c1CCCCC2 1875314262 PESYMAZGHHQNMT-WEVVVXLNSA-N 292.335 1.793 0 50 CDAA Cc1[nH]ccc1C(=O)NC[C@H]1CCO[C@@H]1c1cn[nH]c1 952852831 WYFVVBJVKAYNMO-MFKMUULPSA-N 274.324 1.554 0 50 CDAA COCCN1CC[C@@H](CNCc2cnccc2Cl)C1 952869599 WJAMQSAAWQICAX-LBPRGKRZSA-N 283.803 1.793 0 50 CDAA CC[C@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccncc1 886097105 NRYMXFFOSIQYLM-BYNSBNAKSA-N 272.352 1.693 0 50 CDAA O=C(O)c1cc(C2CN(C(=O)OCC3CC3)C2)[nH]n1 1775985111 VUFUASGBNSZTRW-UHFFFAOYSA-N 265.269 1.054 0 50 CDAA CC(C)[C@@H](CO)NC(=O)[C@H]1CC[C@H]2C[C@@H](C)CN2C1 1356498615 QJNIUTWWMZPPHH-ZOBORPQBSA-N 268.401 1.240 0 50 CDAA COC(=O)[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H]2CNC[C@@H]2C1 1535602385 INRVAQYMBZQEDJ-HBYGRHMLSA-N 298.383 1.300 0 50 CDAA COC(=O)c1ccc([C@H](C)N2CC[C@@H](CO)C2)o1 221712517 FVHYPWRDZVATQR-VHSXEESVSA-N 253.298 1.441 0 50 CDAA Cc1ccc(-c2cnc(N3CCC[C@@H](O)C3)nc2)c(CO)c1 630500432 URCZPWRWTQYPIG-OAHLLOKOSA-N 299.374 1.905 0 50 CDAA O=C(NCc1cccc(N2CCOCC2)n1)c1ccncc1 274869255 XGRCYENJQBDHSS-UHFFFAOYSA-N 298.346 1.243 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H]2CO)c2c(C)n[nH]c2n1 275105607 FNXMBKHDTSZUCJ-JTQLQIEISA-N 274.324 1.172 0 50 CDAA O=C(N[C@H]1CC=CCC1)N1CCC(Cn2cncn2)CC1 187174726 LFUBXGXUBPSKAN-AWEZNQCLSA-N 289.383 1.808 0 50 CDAA Cc1cc(Cl)ccc1C(=O)NCCOC(N)=O 170594078 DXHXLDLXHYKAHY-UHFFFAOYSA-N 256.689 1.474 0 50 CDAA CN(C)C(=O)CCCSc1n[nH]c(-c2cccnc2)n1 187906911 XYDAYIWXQQZPAB-UHFFFAOYSA-N 291.380 1.827 0 50 CDAA C[C@@H]1C(=O)NCCCN1Cc1ccn(-c2ccccc2)n1 189103999 IBHWJJBHMCCWNN-CYBMUJFWSA-N 284.363 1.583 0 50 CDAA CC(=O)NC1CN(C(=O)NC[C@H](C)c2cccc(C)c2)C1 190194778 LJKIXWQVKOMLJD-LBPRGKRZSA-N 289.379 1.628 0 50 CDAA COc1ccncc1NC(=O)[C@H]1CCCO[C@@H]1C 190802128 YGGRDDCSPUCTIU-ZJUUUORDSA-N 250.298 1.844 0 50 CDAA O=C(N=c1cccn[nH]1)N1CC[C@H](C2CCCC2)C1 643261919 LOPVVEIERKGGMP-LBPRGKRZSA-N 260.341 1.943 0 50 CDAA Cc1cc(Cl)ccc1CN1CC[C@](O)(c2cnn[nH]2)C1 583617322 LYFWZFQTWKYCON-CQSZACIVSA-N 292.770 1.860 0 50 CDAA CO[C@H]1CN([C@@H]2CCCN(CC(C)(C)C)C2=O)CCO1 585116100 HJPMHTSQOGWMMW-CHWSQXEVSA-N 284.400 1.328 0 50 CDAA CC(=O)Nc1nc(CN2C[C@H]3CN(C)C[C@@]3(C)C2)cs1 933746359 WGMPGMBKNGHFGB-RISCZKNCSA-N 294.424 1.485 0 50 CDAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1ccno1 1529168449 DTUUWTIIOWERBB-VXGBXAGGSA-N 273.292 1.057 0 50 CDAA CCc1noc(NC(=O)CCCN2CCCC2=O)c1C 1529191831 FQMWOEMVNSSKPS-UHFFFAOYSA-N 279.340 1.887 0 50 CDAA OC[C@]12COCC[C@H]1CN(Cc1ccncc1Cl)C2 1857669345 NOHUKOZMEXEFQT-GXTWGEPZSA-N 282.771 1.566 0 50 CDAA Cc1cnn(C)c1C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 1607917349 ZNXJCWILFCDNBF-OLZOCXBDSA-N 299.330 1.772 0 50 CDAA CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@@H](C(=O)O)C1 222639731 VSDMGJRIMQRZMC-WDEREUQCSA-N 270.373 1.476 0 50 CDAA O=C(Cc1ccoc1)N1CCC(F)(F)[C@H](CO)C1 330929331 YJVIRKOUTCVCIQ-JTQLQIEISA-N 259.252 1.298 0 50 CDAA Cc1ccccc1[C@H]1CN(C(=O)C2(N)CC2)CCO1 237685425 WRVHOZWBGHJWOI-CYBMUJFWSA-N 260.337 1.386 0 50 CDAA O=S(=O)([C@@H]1CCOC1)N1CC[C@@H](CC2CC2)C1 336626490 SENPOHXPQJNBLC-NWDGAFQWSA-N 259.371 1.227 0 50 CDAA COc1c(C)cc(CNC[C@H]2CC[C@@H](CO)O2)cc1C 1615542139 YHORRJCSKJJMRB-CABCVRRESA-N 279.380 1.942 0 50 CDAA OC1(c2ncn(CC3CCC4(CC3)OCCO4)n2)CCC1 1615588238 ZVBCRIXXKHJAJG-UHFFFAOYSA-N 293.367 1.583 0 50 CDAA CCc1ccc(NC(=O)N[C@H]2CNCC[C@@H]2O)cc1 1565529033 QUGOYNDYBVOVDG-STQMWFEESA-N 263.341 1.093 0 50 CDAA COc1cc(OC)cc(C(=O)NCCc2cn[nH]c2)c1 216180544 YWZFUSRIHUFTHZ-UHFFFAOYSA-N 275.308 1.399 0 50 CDAA Cn1ccnc1-c1nccn1-c1ccc2nc(CO)[nH]c2c1 1772811864 ZPWXFSLGWGPQTK-UHFFFAOYSA-N 294.318 1.641 0 50 CDAA CNCc1nnc(N2CC3C[C@H]4CC2C[C@@H](C3)C4)o1 1772706890 PUHKGQPWSIKWLR-ZYANWLCNSA-N 262.357 1.804 0 50 CDAA Cc1ccc(C2(C(=O)N3C[C@H]4C[C@H](O)[C@H]4C3)CC2)cc1 1772707487 VFYRAAKNPSYZPF-SNPRPXQTSA-N 271.360 1.866 0 50 CDAA Cc1cc(C)n([C@H](C)CNc2nnc(CN(C)C)o2)n1 1772701709 GZOOMWMMOUQAEE-LLVKDONJSA-N 278.360 1.618 0 50 CDAA O=C(NCc1cnc2cnccn12)c1onc2ncccc12 1775977930 NKTGKIJHROCPLD-UHFFFAOYSA-N 294.274 1.196 0 50 CDAA CN(C)CC[C@H]1CN(C(=O)CCc2cccs2)CCO1 11817470 ARDYYLUWNWIDGC-ZDUSSCGKSA-N 296.436 1.860 0 50 CDAA CO[C@@]1(C)CCCN(C(=O)NCc2nc(C3CC3)n[nH]2)C1 334089212 NJGIMOGTCVUZIL-AWEZNQCLSA-N 293.371 1.393 0 50 CDAA O=C(Nc1n[nH]c(C2CCCCC2)n1)[C@@H]1CCOC1 1875246688 JTGYERIMBOYEGV-SNVBAGLBSA-N 264.329 1.827 0 50 CDAA CCC[C@]1(CO)CCN(Cc2cccc(OC)n2)C[C@H]1O 1875248200 CPPLIOASGMPLAA-GDBMZVCRSA-N 294.395 1.436 0 50 CDAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCc1cccc(Cl)c1 225658334 KIYZYHIHGCLFRT-QMTHXVAHSA-N 294.782 1.913 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 2552632 IZPMTGWZPCZFNW-NSHDSACASA-N 283.349 1.480 0 50 CDAA in-vitro Cc1cc(C(F)(F)F)nc(=NCc2cccc(CO)n2)[nH]1 631335286 RCBHBTWYMQWBFI-UHFFFAOYSA-N 298.268 1.725 0 50 CDAA C[C@]1(O)C[C@@H](NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)C1 332434860 IHVAVFULQMGELT-JBLDHEPKSA-N 294.317 1.290 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1CCN[C@@H](C)C1 236756860 QCJKBDVNCKEQKA-NSHDSACASA-N 262.357 1.336 0 50 CDAA C[C@@H](CNC(=O)C(C)(C)n1cccn1)CN1CCCCC1 666850645 BIIASBXJJQXXHC-AWEZNQCLSA-N 292.427 1.856 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)NCCc2nc(C(=O)O)cs2)O1 157956701 WSBVPWYXNGSNPK-APPZFPTMSA-N 284.337 1.068 0 50 CDAA Cc1ncc(CN2CCN(CC(C)(C)O)C[C@@H]2C)o1 585120800 LTVCTQSLZIBLJC-NSHDSACASA-N 267.373 1.260 0 50 CDAA C[C@@]1(NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CCOC1 163920015 BNWJUMVAPNHEOT-GXTWGEPZSA-N 294.355 1.363 0 50 CDAA Cc1cnc(C(=O)N2CCn3cnnc3[C@@H]2C)cc1C 935618379 JSLXBJVKBHNILA-NSHDSACASA-N 271.324 1.507 0 50 CDAA Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]1c1ccccc1 1124044701 XFTRYFFYLVECMY-GXTWGEPZSA-N 255.321 1.933 0 50 CDAA C=CC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 848979056 KCSUYYHEYNYTMU-UHFFFAOYSA-N 262.284 1.183 0 50 CDAA Cc1nn2c(c1C(=O)O)CN(C(=O)OC(C)(C)C)CC2 1857783557 YAENCUWHBCQRFB-UHFFFAOYSA-N 281.312 1.640 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H](c1ncccc1C)C(C)C 859408194 LWOUZRCPCKCNHR-OAHLLOKOSA-N 289.379 1.848 0 50 CDAA c1csc(CCN2CCN(c3cnccn3)CC2)c1 20911746 NCANXLHSJZTUOM-UHFFFAOYSA-N 274.393 1.903 0 50 CDAA CN(C)C[C@H]1CN(C[C@@H](O)c2ccccc2F)CCO1 229517177 WWGICYHTPRUHTO-SWLSCSKDSA-N 282.359 1.122 0 50 CDAA CC[C@H](C(=O)O)N1CCN(CCc2cccs2)CC1 262470200 WTFVUDXSRZXNRY-CYBMUJFWSA-N 282.409 1.771 0 50 CDAA CCCN(C(=O)c1cccc2cn[nH]c12)[C@@H]1CCNC1 178910876 BBXVIKUMDGODNP-GFCCVEGCSA-N 272.352 1.777 0 50 CDAA Cc1noc(CCCN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)n1 407950933 JTZGFOCHIRIXSH-CVNCSBKSSA-N 263.341 1.012 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)CCc2ccccc2Cl)C1 312900873 YKMWFKVUUXVHCJ-QWHCGFSZSA-N 297.782 1.881 0 50 CDAA CN(Cc1nc(CC(F)(F)F)no1)C1(CO)CC1 331450316 GUWZEDXMFVZTKV-UHFFFAOYSA-N 265.235 1.131 0 50 CDAA OC[C@H]1CN(Cc2cc(F)cc(F)c2)CC[C@H]1O 335649237 MNJFBUJQXSXQHE-ZWNOBZJWSA-N 257.280 1.140 0 50 CDAA OC[C@H]1CC(F)(F)CN1c1cnc2ccccc2n1 368720848 BKVDDHBXNJPLGG-SECBINFHSA-N 265.263 1.836 0 50 CDAA COCC1(CNC(=O)[C@@H]2CCCNC2)CCCC1 584886363 KYNGYSCTCFCAJQ-GFCCVEGCSA-N 254.374 1.309 0 50 CDAA Cc1ncsc1CN1CCN2C(=O)OC[C@H]2C1 494450112 DGTQUUKAHCKUAG-SECBINFHSA-N 253.327 1.088 0 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1.466 0 50 CDAA O=C(OCn1nnc2ccccc2c1=O)c1cccs1 317730 IWDKGEKOMBBJIC-UHFFFAOYSA-N 287.300 1.668 0 50 CDAA O=C(Nc1cccnc1)[C@@H]1COc2ccccc2O1 354128 SEDLTBLGDABWQS-ZDUSSCGKSA-N 256.261 1.860 0 50 CDAA CCOC(=O)Sc1nnnn1-c1ccccc1 402535 YGTOVECNNXAGIC-UHFFFAOYSA-N 250.283 1.911 0 50 CDAA O=C1c2ccccc2C(=O)N1CCc1nccs1 1508257 HJOXWPXGFUFWOK-UHFFFAOYSA-N 258.302 1.982 0 50 CDAA CC(C)(C)NC[C@H](O)c1ccc(O)c(NC(N)=O)c1 2009481 KEMXXQOFIRIICG-NSHDSACASA-N 267.329 1.304 0 50 CDAA in-man COc1cc2c(cc1-c1cnc3ncnn3c1)OCO2 2356167004 QWUFGYYRPGLOCY-UHFFFAOYSA-N 270.248 1.529 0 50 CDAA CNC(=O)c1cc(S(=O)(=O)NC2CCCC2)cs1 6681579 DWXCDLDILNPTRK-UHFFFAOYSA-N 288.394 1.329 0 50 CDAA CN[C@H]1CCCN(C(=O)CCc2nc3cccnc3[nH]2)C1 133815250 ZZHSCSFBHZLQEL-NSHDSACASA-N 287.367 1.101 0 50 CDAA O=C(NCc1ccc(-n2cncn2)cc1)c1ncccc1O 171256958 YATVYUPGHAFLBV-UHFFFAOYSA-N 295.302 1.298 0 50 CDAA O=S(=O)(N1CCCC1)N1CCN(c2ccccc2)CC1 8794063 ZHYUGHGCRMWJNG-UHFFFAOYSA-N 295.408 1.149 0 50 CDAA 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CDAA CN(CC[C@@H]1CCCCO1)CC(=O)N1CCCC1 680370702 KALJQLVAHMZTPC-ZDUSSCGKSA-N 254.374 1.500 0 50 CDAA COc1nc(C(=O)N2CCc3ccccc3CC2)nn1C 2100483175 WSTWVIOQKOCPRN-UHFFFAOYSA-N 286.335 1.065 0 50 CDAA O=C(N[C@H]1CCCCNC1=O)c1cccc2ncsc12 2100555616 ZEYLCXZTNBSQNK-NSHDSACASA-N 289.360 1.695 0 50 CDAA O=C(NCCCc1ccc(O)cc1)[C@@H]1CC[C@@H](F)CN1 2325795640 QUQVWHICVSHPRQ-OCCSQVGLSA-N 280.343 1.531 0 50 CDAA NC(=O)CS(=O)(=O)C(c1ccccc1)c1ccccc1 24705 ZESNOWZYHYRSRY-UHFFFAOYSA-N 289.356 1.676 0 50 CDAA in-vitro COc1ccc(NC(=O)CSc2nncn2C)cc1 31571 SNKNUVBTVLOMDX-UHFFFAOYSA-N 278.337 1.555 0 50 CDAA CCOC(=O)NS(=O)(=O)c1ccc(OCC)cc1 341060 RWGOJMIZYCAIMV-UHFFFAOYSA-N 273.310 1.520 0 50 CDAA Brc1cnc(I)nc1 2244205 ZEZKXPQIDURFKA-UHFFFAOYSA-N 284.882 1.844 0 50 CDAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N(C)[C@H]3C)on1 2356146217 XCSUNEVAVDKILY-YUMQZZPRSA-N 261.285 1.336 0 50 CDAA CCC[C@@]1(C(=O)O)CN(Cc2cnc(C)cn2)CC[C@@H]1O 2356146434 GBNRMBPUWJSZKY-DZGCQCFKSA-N 293.367 1.223 0 50 CDAA O=S(=O)(CCN1CCCCC1)Oc1ccccc1 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54253687 YPDHETIYNATAMH-GFCCVEGCSA-N 280.299 1.402 0 50 CDAA O=S(=O)(NC[C@@H]1C[C@H]2C=C[C@H]1C2)C(F)(F)F 114567012 GTKQRIPEBBDJIN-FXQIFTODSA-N 255.261 1.638 0 50 CDAA Cc1nc(C2CCN([C@H]3CCSC3)CC2)cc(=O)[nH]1 23543096 WEJSECZUIVCAEM-LBPRGKRZSA-N 279.409 1.763 0 50 CDAA OC1CCN([C@@H]2CCN(Cc3ccsc3)C[C@H]2O)CC1 23338632 XYQJPIQAEGZLDF-HUUCEWRRSA-N 296.436 1.140 0 50 CDAA CC[C@H](N)CNC(=O)c1cc(O)nc(CC(C)C)c1 423682261 ORDPXKPWVSEZOT-NSHDSACASA-N 265.357 1.453 0 50 CDAA CNC(=O)c1nc([C@@H]2CC(=O)N(CC(C)C)C2)[nH]c1C 20637684 BMVSNMYEJYYRFK-SNVBAGLBSA-N 278.356 1.050 0 50 CDAA O=C(N[C@H](CO)Cc1ccccc1)N[C@@H]1CCCSC1 119971739 JLCLVUONWUURLJ-KGLIPLIRSA-N 294.420 1.785 0 50 CDAA CN(Cc1ccoc1)c1cc(NC2CC2)nc(N)n1 65455858 IJAPVAILIXMGJN-UHFFFAOYSA-N 259.313 1.863 0 50 CDAA CCN(Cc1ccc(Cl)cc1)C(=O)Cc1nnn[nH]1 67855483 XZHHMOYPBLYKIS-UHFFFAOYSA-N 279.731 1.444 0 50 CDAA c1ccc2c(c1)CC[C@H](c1noc(C[C@@H]3CNCCO3)n1)C2 317747703 RJXDRXMXMBDYJV-LSDHHAIUSA-N 299.374 1.873 0 50 CDAA CN1CCC[C@@H](c2n[nH]c(=O)n2CCc2ccccc2)C1 65461788 XJYLUROHRDARMD-CQSZACIVSA-N 286.379 1.623 0 50 CDAA COC[C@H]1CCCN(C(=O)c2cnc(C)nc2C)CC1 332203525 CZFGJWCIAMFYPN-ZDUSSCGKSA-N 277.368 1.982 0 50 CDAA CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 258737 OCFPTFVQZWHPPH-JTQLQIEISA-N 257.311 1.137 0 50 CDAA CC(C)c1nnc2ccc(SCC(=O)O)nn12 36047672 IIMRJVDGQPNOEA-UHFFFAOYSA-N 252.299 1.424 0 50 CDAA CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 36228170 HBWHEETWJJOFBG-UHFFFAOYSA-N 296.436 1.920 0 50 CDAA CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(C)cc1OC 67840874 LSMITLMZMJZYQF-KBPBESRZSA-N 291.395 1.041 0 50 CDAA COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1F 258688233 LVKZBMQNMCFTEU-BDAKNGLRSA-N 267.256 1.171 0 50 CDAA Cc1noc(-c2cccnc2N2CCN3CCC[C@@H]3C2)n1 172757319 MFVKRAIREDGSGX-GFCCVEGCSA-N 285.351 1.724 0 50 CDAA NS(=O)(=O)Cc1ccc(Br)cc1 37981264 UMWAULCQIJRMLH-UHFFFAOYSA-N 250.117 1.238 0 50 CDAA O=C(NCc1cccnc1)[C@]1(O)CCc2ccccc2C1 367352551 FHZXCHLUAFLZNY-KRWDZBQOSA-N 282.343 1.618 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)CNC[C@@H]2CCCO2)C1(C)C 236882525 TVIRZGJINSTGHT-MELADBBJSA-N 298.427 1.417 0 50 CDAA CC(=O)N1CC[C@H](N=c2[nH]nc(C)o2)c2ccccc21 367825652 LDOKDRPUDXHRIJ-LBPRGKRZSA-N 272.308 1.710 0 50 CDAA CNC(=O)CNC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C 175544135 UYILJBGHBBGLLZ-VHSXEESVSA-N 255.362 1.246 0 50 CDAA O=C(N[C@@H]1C=CC[C@H]1O)OCC(Cl)(Cl)Cl 71772809 DHZKMRVABPXIFK-PHDIDXHHSA-N 274.531 1.772 0 50 CDAA Cn1cc(C2CCN(C(=O)[C@@H]3CCC[C@H]3N)CC2)cn1 237892247 VDPSSSXFCLJSAB-ZIAGYGMSSA-N 276.384 1.254 0 50 CDAA O=C(c1cc2ccccc2nc1O)N1C[C@@H](F)C[C@H]1CO 335333400 CVVGUYWLXPLAJG-QWRGUYRKSA-N 290.294 1.485 0 50 CDAA CC(C)(O)[C@@H]1CCN(C(=O)CCc2cccc(O)c2)C1 215150468 BROIXUMAWNXTAS-CYBMUJFWSA-N 277.364 1.944 0 50 CDAA Cc1ccc(N2CCC[C@H](N(C)c3nnc(C)o3)C2)nn1 376170644 GKJAMILUPARJDM-LBPRGKRZSA-N 288.355 1.582 0 50 CDAA CCc1nnc(CN(CC)Cc2cccnc2N)o1 215153222 WKPPOPJVFDRAEM-UHFFFAOYSA-N 261.329 1.631 0 50 CDAA Cn1cc([C@H](NC(=O)c2ccncc2)C2CC(O)C2)cn1 219788652 MZUZUCZXXNAHGL-UXUKBGGZSA-N 286.335 1.057 0 50 CDAA CCn1ccc(C(=O)NCCSC(F)(F)F)cc1=O 215117429 RRIPFUYUBKBUGQ-UHFFFAOYSA-N 294.298 1.851 0 50 CDAA CCc1cnc(CN(C)C(=O)[C@H]2CC(=O)N(CC)C2)s1 175877975 FGJQPGOKMXROCR-JTQLQIEISA-N 295.408 1.532 0 50 CDAA NC1(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)CC1 82106662 SVCMWNWSXJLIOY-CYBMUJFWSA-N 288.395 1.490 0 50 CDAA CCOC(=O)c1c(C)n(O)c2cc(F)c(F)cc2[n+]1=O 137203838 KFEFYDXVDAJNGS-UHFFFAOYSA-N 285.226 1.556 0 50 CDAA COC[C@@H]1[C@@H](Nc2ncc(Cl)cn2)[C@@H]2CCO[C@@H]21 220027477 RGRXYQKJCSTNBP-VLEAKVRGSA-N 269.732 1.592 0 50 CDAA CCS(=O)(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222551108 IGBJEESXYBPPDF-KGLIPLIRSA-N 299.392 1.300 0 50 CDAA CC[C@H](NC(=O)c1ccnn1C(C)C)C(=O)N(C)C 426428334 NMURYVDKPRATPQ-JTQLQIEISA-N 266.345 1.061 0 50 CDAA O=C(CCc1nc(-c2cccnc2)no1)NCc1ccon1 81066530 LDYVLASAHDHWNR-UHFFFAOYSA-N 299.290 1.369 0 50 CDAA O=C(NC[C@H](CO)Cc1ccco1)c1nc2ccccc2[nH]1 426527066 VSTWURNAJDDTGJ-LLVKDONJSA-N 299.330 1.737 0 50 CDAA C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCN 237576697 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828258609 PJDKEWQWNISYOS-GFCCVEGCSA-N 274.299 1.725 0 50 CDAA CN(Cc1cnn2cccnc12)C[C@@H]1CCCCN1C 584895335 JJLSHIHUVMNJKL-AWEZNQCLSA-N 273.384 1.645 0 50 CDAA COC[C@@H]1CCCN1C(=O)NCCc1noc(C2CC2)n1 584891311 NSMNQLTZYAKONA-NSHDSACASA-N 294.355 1.310 0 50 CDAA COc1cc(C)ccc1S(=O)(=O)N(C)C[C@H]1CCOC1 824541260 GPUWOXMJXCZVIY-GFCCVEGCSA-N 299.392 1.661 0 50 CDAA CN1C[C@]2(CCN(C(=O)CC3CCCC3)C2)OCC1=O 670459754 QMQARKZLYNGDEN-HNNXBMFYSA-N 280.368 1.026 0 50 CDAA CSCCN1CCN(C(=O)c2cncc(Cl)c2)CC1 670474362 CXODOCYMXFNABN-UHFFFAOYSA-N 299.827 1.856 0 50 CDAA Cc1cc(S(=O)(=O)N[C@H](C)CC(=O)O)cc(C)c1F 270551023 ZUTSUMVEYRHPNT-SECBINFHSA-N 289.328 1.584 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC(C)(C)OC2(CCCC2)C1 861214964 UXGZKHDHBXMMEO-UHFFFAOYSA-N 294.395 1.581 0 50 CDAA Cc1n[nH]cc1C(=O)N(C)Cc1nc(C(F)(F)F)no1 1875254845 ZGHPJBRRDBPOGX-UHFFFAOYSA-N 289.217 1.392 0 50 CDAA COC(=O)/C=C/CNC(=O)c1c(C)cc(F)cc1C 1875273005 RKLFWVMLRKPLBR-SNAWJCMRSA-N 265.284 1.902 0 50 CDAA Nc1nc(Cl)nc2c1ncn2CCO[C@@H]1CCCCO1 1875279011 JCASMNUMXWPSNT-MRVPVSSYSA-N 297.746 1.605 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC(C)(C)CO)n[nH]c21 1875393838 MWRXCXUTDVALFW-BDAKNGLRSA-N 281.356 1.180 0 50 CDAA Cc1nc2c(CCNC(=O)/C=C/CN(C)C)cccc2o1 1875377381 ZAQZRIBKPXFOQR-VMPITWQZSA-N 287.363 1.913 0 50 CDAA Cc1cccc([C@@H]2C[C@@H]2C(=O)NS(C)(=O)=O)c1 1875390307 CCVITFNTSLEFOD-QWRGUYRKSA-N 253.323 1.174 0 50 CDAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1cc[nH]n1 1875318522 QSXBPGKXUMWFQJ-GFCCVEGCSA-N 277.349 1.684 0 50 CDAA Cc1cccc2c1CCN2C(=O)[C@]1(N)CCSC1 1875354358 FNNYJLYYRJINGZ-AWEZNQCLSA-N 262.378 1.719 0 50 CDAA Cc1nc(-c2cccnc2)[nH]c1C(=O)NCC1(CN)CCC1 1875315177 KNTRTCPBTGSUQK-UHFFFAOYSA-N 299.378 1.639 0 50 CDAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CC[C@H]2O3)CS1 1875301013 ZXUHSBGMQINGJI-DAWVFNFOSA-N 285.365 1.019 0 50 CDAA COC(=O)/C=C/CNC(=O)COC[C@@H](C)c1ccccc1 1875333412 SQLPZJMCRQKRQD-YSKGHYERSA-N 291.347 1.652 0 50 CDAA CCc1nccn1CCC(=O)NCCCn1cccc1 952983607 UKRSNQBNSXXZOG-UHFFFAOYSA-N 274.368 1.844 0 50 CDAA COC(=O)c1ccc(NC(=O)c2ccccn2)c(O)c1 170505851 GHGVROLAKSPCOW-UHFFFAOYSA-N 272.260 1.826 0 50 CDAA CN(Cc1ccc(N)nc1)C(=O)c1ccnc(N(C)C)c1 1775993676 VEEKCBVTKODVEJ-UHFFFAOYSA-N 285.351 1.397 0 50 CDAA Cc1cnn(C)c1CN1CC2(CCOCC2)CC[C@@H]1CO 897176897 GJPKLXVPSBCOBC-CQSZACIVSA-N 293.411 1.482 0 50 CDAA O=C(N[C@H](CO)C[C@@H]1CCCO1)c1cc2cccnc2[nH]1 899277102 KSAGNJFXCBZTNX-RYUDHWBXSA-N 289.335 1.223 0 50 CDAA O=c1c2ncn(-c3ccccc3)c2ncn1CC1(O)CCC1 899885908 QAMCMKGWWGRMGY-UHFFFAOYSA-N 296.330 1.497 0 50 CDAA O=C(Cc1nc(C2CC2)n[nH]1)Nc1ccc(O)c(F)c1F 1468003513 LEQQEYAFMWXWRG-UHFFFAOYSA-N 294.261 1.847 0 50 CDAA O=C(CC1CC1)NC[C@@H]1CCC2(CC(C(=O)O)C2)O1 1594678556 WZXXJEOUTFDOHP-CVZZAPKMSA-N 267.325 1.315 0 50 CDAA Cn1ccc2c(C(=O)N3CCOC[C@H]3C(=O)O)cccc21 169796789 PMKMYBIJYRDZAA-ZDUSSCGKSA-N 288.303 1.104 0 50 CDAA CC(C)[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(CC2CC2)C1 408474893 XATCFKNNDHPPNA-DZGCQCFKSA-N 294.395 1.476 0 50 CDAA CCS(=O)(=O)NC(=O)c1ccc(C)c2c1CCC2 408485339 OUPNBOLELHZQQY-UHFFFAOYSA-N 267.350 1.563 0 50 CDAA C[C@@H]1CCN(Cc2cn(C[C@H]3CCOC3)nn2)C[C@H]1F 638911088 YOHLIHNRXRLXHO-YRGRVCCFSA-N 282.363 1.495 0 50 CDAA O=C(CSC[C@@H]1CCCCO1)Nc1ccnnc1 585087162 CXRJPMICOLOCMN-NSHDSACASA-N 267.354 1.717 0 50 CDAA Cc1sc2ncnc(N3CCC(=O)N(C)CC3)c2c1C 585098877 MHOJRZBQOCGKBE-UHFFFAOYSA-N 290.392 1.977 0 50 CDAA CCNC(=O)OC[C@@H]1CCCCN1Cc1c[nH]nc1C 585084505 JINLMYDIWWUTQS-ZDUSSCGKSA-N 280.372 1.819 0 50 CDAA CN1CCC[C@H]1c1cc(C(=O)NCc2nccs2)n[nH]1 585121004 BNAFXYKUQBHMTH-NSHDSACASA-N 291.380 1.563 0 50 CDAA CN1CCC([C@@H]2CCN(C(=O)Cc3cncn3C)C2)CC1 557748516 XJJMDFWDKNTNJD-CQSZACIVSA-N 290.411 1.153 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1ccn(C(C)C)n1 643828219 WIGPETDSKZPTIX-OAHLLOKOSA-N 294.399 1.191 0 50 CDAA CN(Cc1ccc(O)cc1)C(=O)CN1CCCCCC1=O 194596673 RGIMDDBNOBJBBN-UHFFFAOYSA-N 290.363 1.753 0 50 CDAA CCCOc1cccc2c(N3CCNC(=O)C3)ccnc12 194696245 JRUYZOZNUISCAG-UHFFFAOYSA-N 285.347 1.960 0 50 CDAA O=C(NC[C@H]1C[C@H]1C(=O)O)c1c(F)cccc1F 715307896 IKXIQYNTINYNRE-RNFRBKRXSA-N 255.220 1.415 0 50 CDAA Cc1ccccc1CC1(N[C@H](C)CN(C)CCO)CC1 1506398723 SBLCHFAIWZWSRD-OAHLLOKOSA-N 276.424 1.972 0 50 CDAA Cc1nc(C)c(CN2C[C@@H]3CCOC[C@]3(CO)C2)s1 1857669792 OJHGXDUNQYRSJM-GXTWGEPZSA-N 282.409 1.591 0 50 CDAA Cn1cc(C(=O)N2CC(c3ccncc3)C2)ccc1=O 1857703374 JRAXNMQZLZRUKC-UHFFFAOYSA-N 269.304 1.020 0 50 CDAA Nc1ncc2c(n1)[C@]1(CCCN(Cc3ccncc3)C1)CC2 1704344550 SJZCACCEHSDIKO-QGZVFWFLSA-N 295.390 1.934 0 50 CDAA CNC(=O)CN=[S@@](=O)(c1ccccc1)C(F)(F)F 853729472 ZJWZFEZTHNXAMW-GOSISDBHSA-N 280.271 1.779 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](CO)CC[C@@H]21 109163899 DQVTVAZLFRCNNH-GARJFASQSA-N 257.330 1.393 0 50 CDAA in-vitro O=C(N[C@H]1CCNC[C@@H]1F)c1ccc(C(F)(F)F)cn1 1616038605 HSIBRACKRNNXBZ-IUCAKERBSA-N 291.248 1.530 0 50 CDAA C[C@@H](C(=O)NCc1nccs1)C1CCOCC1 120014251 OMNWAPIEDWZYLW-SECBINFHSA-N 254.355 1.822 0 50 CDAA Fc1cccc(Cn2cnc([C@H]3COCCN3)n2)c1Cl 1615045538 DIAGYDSTOGGXAD-LLVKDONJSA-N 296.733 1.780 0 50 CDAA CNC[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 133177806 XHECRLIAXJUPDI-NSHDSACASA-N 288.800 1.713 0 50 CDAA COc1cc(C(=O)N2C[C@H](O)[C@@H](F)C2)nc2ccccc12 1615706990 VELHZZCUNGWAEG-GWCFXTLKSA-N 290.294 1.398 0 50 CDAA Cc1ncsc1C(=O)N[C@@H]1CC(=O)N(CC(C)(C)C)C1 12433026 RHFOLUXNCOFVMB-SNVBAGLBSA-N 295.408 1.828 0 50 CDAA O=S(=O)(Cc1ccccc1)NCCCN1CCCCC1 13669512 SZDAUMYCNCGWLD-UHFFFAOYSA-N 296.436 1.982 0 50 CDAA CCc1ccc(NC(=O)C[C@H]2C(=O)OCCN2CC)cc1 13828314 BKRBHDWQJQHPJA-AWEZNQCLSA-N 290.363 1.825 0 50 CDAA Cc1nn2c3ccccc3nc2n1CCN1CCOCC1 19774663 HCTDFQGMTZWNTP-UHFFFAOYSA-N 285.351 1.325 0 50 CDAA O=C(NCCN1CCOCC1)c1cccc2ccccc12 19920520 SXRCXDSUNRVPOD-UHFFFAOYSA-N 284.359 1.902 0 50 CDAA COCC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857674429 HTRQRCQXXURKRX-UXLLHSPISA-N 289.375 1.618 0 50 CDAA Cc1nc([C@@H]2CCn3nccc3C2)n(-c2ccnn2C)n1 1857735827 UNLGCRCYCZAMMA-LLVKDONJSA-N 283.339 1.236 0 50 CDAA CC(=O)N[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 136565755 WLMNUGAWPNKUOC-LBPRGKRZSA-N 292.383 1.582 0 50 CDAA CCc1ccnc(NC(=O)[C@H]2CCCCn3nnnc32)c1 1875244270 PHDZGXGBOVOOER-NSHDSACASA-N 286.339 1.537 0 50 CDAA Cc1noc([C@@H]2CN(CC3C[C@H]4C[C@@H]4C3)CCN2C)n1 606445756 XQGOHHAVANHZHN-IHRRRGAJSA-N 276.384 1.713 0 50 CDAA COCc1ncc(-c2noc([C@@H]3C[C@@H]3C)n2)c(N)n1 225606792 XIJIFFFCSKFION-NKWVEPMBSA-N 261.285 1.379 0 50 CDAA CCN1CCN(C(=O)c2cc[nH]c2)C[C@@H]1c1nccn1C 328628981 OHQBVFOPPMPPCL-CYBMUJFWSA-N 287.367 1.267 0 50 CDAA CN1CCN(C(=O)CCc2ccco2)C[C@@H]1c1ncc[nH]1 328620219 GUXHSOZJDUEBGF-CYBMUJFWSA-N 288.351 1.451 0 50 CDAA Cc1cc(N(C)Cc2nnc3ccccn23)nc(C)n1 584906877 YXHXZNHPORLIIF-UHFFFAOYSA-N 268.324 1.773 0 50 CDAA CN(C)c1ncc(CN2Cc3ccc(C(=O)O)cc3C2)cn1 901645565 BBLWTFFUPCUAMQ-UHFFFAOYSA-N 298.346 1.757 0 50 CDAA Cc1ccn(Cc2nc([C@H](C)[C@@H]3CCCO3)no2)n1 903825438 RGDOQVKZFIHYLH-MNOVXSKESA-N 262.313 1.905 0 50 CDAA O=C(NC[C@]12CCCC[C@@H]1C2)[C@@H]1CCc2nncn2CC1 927460746 XRGUBPWDAGOYBV-XJKCOSOUSA-N 288.395 1.927 0 50 CDAA COc1ccc(NC(=O)[C@@]2(C)CC(C)=NO2)c(C)n1 928996517 VERGTLGKGGQWHE-CYBMUJFWSA-N 263.297 1.892 0 50 CDAA CC(C)Cn1[nH]c(CC(=O)N2C[C@H](C)O[C@H](C)C2)cc1=O 929107093 FTYPFGIOMFJNGR-TXEJJXNPSA-N 295.383 1.011 0 50 CDAA CCn1ncc(CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)n1 858582166 SXPOSVBOCSHCLT-CMPLNLGQSA-N 279.388 1.922 0 50 CDAA COc1ccc(O[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1 514416 GOBAIIFKKDOXSS-RISCZKNCSA-N 279.336 1.758 0 50 CDAA CNC(=O)[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 222568137 XUISPYYHWYCXOP-SECBINFHSA-N 284.718 1.687 0 50 CDAA CC(C)C[C@H](CN)NC(=O)c1[nH]nc2ccccc12 111829312 RTRBYQZATOGQIS-SNVBAGLBSA-N 260.341 1.666 0 50 CDAA O=C(NC[C@H]1CCCN(C2CCCC2)C1)[C@H]1CCCN1 225333968 DUXYZAIHGIUZEG-UKRRQHHQSA-N 279.428 1.509 0 50 CDAA CC(C)N1CC[C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1=O 230100443 MKHNSZDPYAELGA-CRWXNKLISA-N 266.385 1.543 0 50 CDAA COc1ccc(S(=O)(=O)NCCN(C)C)cc1Cl 10111641 OCUIUGASBMQOFR-UHFFFAOYSA-N 292.788 1.189 0 50 CDAA C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(C(=O)O)cc1 237462470 NVMUGQMKFFDDKB-NXEZZACHSA-N 263.293 1.634 0 50 CDAA CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccoc1 182555451 ZCHVZBWYEMJQRL-NEPJUHHUSA-N 257.355 1.725 0 50 CDAA CCn1nc(C)c(CN[C@@H](C)Cn2ccnc2)c1C 71278619 RZOIYQAYVSFHQJ-NSHDSACASA-N 261.373 1.895 0 50 CDAA COc1cc(CNCC2(C)CCN(C)CC2)sn1 399136397 VDBPSPPOUYKXDY-UHFFFAOYSA-N 269.414 1.973 0 50 CDAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(O)cc1 53241 NMIRIOAQKKMURM-ZDUSSCGKSA-N 290.319 1.925 0 50 CDAA CC1(C)N(O)C(c2ccc(C(=O)O)cc2)=[N+]([O-])C1(C)C 2558856 QSSNLQPWTLQYTB-UHFFFAOYSA-N 278.308 1.904 0 50 CDAA in-vitro CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1C[C@H]1C1CCCC1 2325767920 NZWJYSIAUUSLSL-HZSPNIEDSA-N 296.436 1.850 0 50 CDAA C[C@H](NS(=O)(=O)CCc1cccs1)C1(O)CC1 2325782735 AJMWKAOZHVHLBA-VIFPVBQESA-N 275.395 1.123 0 50 CDAA Cc1sncc1C(=O)N(Cc1nn[nH]n1)C(C)C 2325807227 IUVBSTNTDRWLTR-UHFFFAOYSA-N 266.330 1.015 0 50 CDAA CCOC1(C(=O)Nc2cnn3cccnc23)CCOCC1 2325810289 HDTSDCLRCASZIJ-UHFFFAOYSA-N 290.323 1.254 0 50 CDAA O=C(C[C@H]1SC(=O)NC1=O)Nc1ccc(O)cc1 971786 IHPXMKNPTRCHGC-MRVPVSSYSA-N 266.278 1.072 0 50 CDAA CCOc1ccc(C(=O)NCCCN(C)C)cc1 2807150 ZTUNMDQDSJRSEJ-UHFFFAOYSA-N 250.342 1.767 0 50 CDAA O=C1OC[C@H]2CN(Cc3nc(-c4ccccc4)no3)C[C@@H]12 2356156751 OVRRBKMUXRIFFS-VXGBXAGGSA-N 285.303 1.341 0 50 CDAA CC1=C(C(N)=O)[C@@H](c2ccccc2F)NC(=S)N1 4574691 CLLRMKBEPJULQB-SNVBAGLBSA-N 265.313 1.104 0 50 CDAA CC[C@H](Oc1cccc(Cl)c1)C(=O)NN1CCOCC1 4749334 PHLZFJUUBRFXOD-ZDUSSCGKSA-N 298.770 1.861 0 50 CDAA CC(C)C(=O)Nc1sc2c(c1C(N)=O)CCC2 6262797 UIJBISXMIOPDQD-UHFFFAOYSA-N 252.339 1.930 0 50 CDAA NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 6553327 WSJNDEUUSVZQTE-UHFFFAOYSA-N 294.307 1.725 0 50 CDAA CCN1CCN(C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)CC1 6731013 SPNVUIHLKRQAEW-ZIAGYGMSSA-N 294.395 1.598 0 50 CDAA Cc1cccc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c1F 225426091 WOQWVHNICMRCRU-OLZOCXBDSA-N 294.370 1.661 0 50 CDAA CN1CCc2c(c3ccccc3n2CCC(N)=O)C1 23119805 IEZGCXJLELAQOK-UHFFFAOYSA-N 257.337 1.505 0 50 CDAA COc1ccc([C@@H](NC(=O)c2ccncc2)C(=O)O)cc1 346019449 SIRUFDRVEZMMRL-CYBMUJFWSA-N 286.287 1.646 0 50 CDAA CCN(C)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 248103192 KOFSBEVMXQYJJL-UHFFFAOYSA-N 296.392 1.528 0 50 CDAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2cc(C)n(C)n2)C1 20600903 XZRJMBNFJYCNOK-QGZVFWFLSA-N 299.374 1.771 0 50 CDAA CN(C[C@@H]1CCCCO1)C(=O)COc1ccccc1O 67473263 JVNQGOHTBPHWGB-LBPRGKRZSA-N 279.336 1.799 0 50 CDAA CCN(Cc1cnn(C)c1)C(=O)[C@H]1Cc2ccccc2CN1 67713958 OSMSTZCFHUDFOG-MRXNPFEDSA-N 298.390 1.483 0 50 CDAA CC[C@H](C)C(=O)NCc1nc(-c2ccncc2)n[nH]1 20856988 CGLWUYNWHYRUOY-VIFPVBQESA-N 259.313 1.529 0 50 CDAA COCC1(C(=O)N[C@H]2CN3CCC2CC3)CCC1 65407263 YIWPHURPBYMMOG-LBPRGKRZSA-N 252.358 1.014 0 50 CDAA CCN(CC)Cc1nnc2sc(-c3cc(C)on3)nn12 61722210 HOGNKXUCFKNKEQ-UHFFFAOYSA-N 292.368 1.991 0 50 CDAA Clc1cccc(CNCCN2CCOCC2)c1 23263503 ITICBCWCHCPMPV-UHFFFAOYSA-N 254.761 1.762 0 50 CDAA CC1(CNC(=O)CCC(=O)c2ccc(F)cc2)COC1 112694173 GSRWKLRNOUSAPE-UHFFFAOYSA-N 279.311 1.941 0 50 CDAA CN(C)c1cc(C(=O)N2CCC[C@H]2CN)c2ccccc2n1 422877299 HMWHTXWZMYGSPD-LBPRGKRZSA-N 298.390 1.864 0 50 CDAA O=C(O)[C@H]1CC(=O)N(Cc2ccccc2-n2cccn2)C1 65497510 FFMPKTIXVPMJIC-LBPRGKRZSA-N 285.303 1.305 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCCn1cnnc1C(C)C 331201831 XGCOFUAJSUGCGH-CHWSQXEVSA-N 294.399 1.723 0 50 CDAA CC(C)c1ccccc1-n1c(CCCO)n[nH]c1=O 65371928 GPLHNFXOKPQPKU-UHFFFAOYSA-N 261.325 1.609 0 50 CDAA C[C@@H]1CCCN(Cc2cnc3cnccn23)[C@@H]1C(=O)O 424412110 CJXCONCIQLWDGE-MFKMUULPSA-N 274.324 1.414 0 50 CDAA O=C(O)[C@@H]1CC(c2ccccc2)=N[C@H](C(=O)O)CS1 187367 CNFDHDGTMZDLAH-QWRGUYRKSA-N 279.317 1.519 0 50 CDAA biogenic CC1(C)OC(=O)N(CCC(=O)Nc2ccccc2)[C@]1(C)O 1424760 XGHWCMFQZLDOTK-OAHLLOKOSA-N 292.335 1.955 0 50 CDAA CCCCCCNC(=O)n1cc(F)c(O)nc1=O 1542916 AOCCBINRVIKJHY-UHFFFAOYSA-N 257.265 1.226 0 50 CDAA biogenic,world CC(C)CCN1C[C@H](C(=O)N2CCCC2)CC1=O 34918469 YFZIWMXTBITILL-GFCCVEGCSA-N 252.358 1.503 0 50 CDAA COc1ccccc1[C@@H]1CCN(C(=O)c2ccc(O)nn2)C1 330881713 ZOMRLRHTTMLFLY-LLVKDONJSA-N 299.330 1.821 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CCN[C@@H](C)C1 155186112 USZOSRNHYBREEK-VIFPVBQESA-N 284.791 1.631 0 50 CDAA Cc1ccc(CC(=O)N2C[C@@H](C)N[C@H](C)C2)s1 153382638 WFFFYZQZIUDDLB-NXEZZACHSA-N 252.383 1.808 0 50 CDAA C[C@H]1CN(C(=O)Cc2ccc(-n3cccn3)cc2)CCN1 155142617 BMCBGUWLHPBKMK-ZDUSSCGKSA-N 284.363 1.235 0 50 CDAA O=C(Cc1ccon1)N1CCN2CCOc3cccc1c32 329130718 XFMRDUNVBNVJMV-UHFFFAOYSA-N 285.303 1.463 0 50 CDAA COc1cc(C)nc(N2CCC[C@H](c3nc(O)n[nH]3)C2)n1 377411927 KAWVPQOEZBLPKJ-VIFPVBQESA-N 290.327 1.001 0 50 CDAA Cc1cc(-c2cccc(CN3CCOCC3)c2)nc(N)n1 32587346 APDXBMOKSAZPKB-UHFFFAOYSA-N 284.363 1.866 0 50 CDAA O=S(=O)(c1ccc2c(c1)COC2)N(C1CC1)C1COC1 333703609 OOBFIQQPYPGUCZ-UHFFFAOYSA-N 295.360 1.269 0 50 CDAA Cc1ccc(C(=O)N(CCC(=O)O)C2CCOCC2)cn1 237842761 OZZCFJLJDHTJGT-UHFFFAOYSA-N 292.335 1.486 0 50 CDAA Cc1ncsc1CCN(C)C(=O)c1cn[nH]c1 215185892 RRKKFWLOECTEPY-UHFFFAOYSA-N 250.327 1.489 0 50 CDAA CC1(C)CN(C(=O)CCn2ccnc2)[C@@H]2CCC[C@H]2O1 334615012 UUNBFVSXFZBLBP-CHWSQXEVSA-N 277.368 1.832 0 50 CDAA NC(=O)C1(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)CC1 217195539 ZBXJNISWSUJOOG-NSHDSACASA-N 292.766 1.921 0 50 CDAA COc1ccc2c(c1)[C@@H](C(=O)N1CC(O)(C3CC3)C1)CC2 336416797 MWSDPCZFDWSRQQ-AWEZNQCLSA-N 287.359 1.708 0 50 CDAA CCCOc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1O 220171626 WTXFUBZIXCIJSP-CHWSQXEVSA-N 279.336 1.355 0 50 CDAA CC(=O)Nc1cc2c(cc1Br)n(C)c(=O)n2C 223247981 ZZMSKEGHHYCCCG-UHFFFAOYSA-N 298.140 1.598 0 50 CDAA O=[S@]1[C@H]2CC[C@H]1CN(c1nc(C3CCC3)no1)CC2 528217062 AGAFKMIQHPDACH-ADWYPQAOSA-N 281.381 1.827 0 50 CDAA C[C@H](C(=O)NCC1(Cn2cccn2)CC1)n1ccnc1 426534053 LNLLRXQOEXTWMH-GFCCVEGCSA-N 273.340 1.237 0 50 CDAA Cc1ccc(=O)n([C@@H](C)C(=O)Nc2ccccc2)n1 44394790 FZJDCMYDFOSPOV-NSHDSACASA-N 257.293 1.751 0 50 CDAA COc1ccc(-n2c(CN)nnc2SCCCO)cc1 426503115 VNEYOZJPOIDNGH-UHFFFAOYSA-N 294.380 1.209 0 50 CDAA O=C1C[C@H](C(=O)NCCOc2cccc3ccccc23)CN1 194816013 IGDJALGPDZLXOC-ZDUSSCGKSA-N 298.342 1.471 0 50 CDAA CCc1cc(C(=O)NC2(COC)CCCC2)[nH]n1 96167173 FVQBJSYQCZNJPZ-UHFFFAOYSA-N 251.330 1.661 0 50 CDAA COc1ccc(F)cc1-c1ccc(N(C)CCO)nn1 97499619 MUYGFWRZJNBRPJ-UHFFFAOYSA-N 277.299 1.720 0 50 CDAA Cc1nnsc1CNC(=O)CCc1c(C)nn(C)c1C 292194304 XBCNCXOPMKLUSH-UHFFFAOYSA-N 293.396 1.446 0 50 CDAA C[C@@]1(c2ccccc2)CCC(=O)N(CCS(C)(=O)=O)C1 91726221 HRDDKUZGBPFLLS-OAHLLOKOSA-N 295.404 1.611 0 50 CDAA C[C@H](Nc1ncnc2c1ncn2C1CC1)c1nc[nH]n1 292683887 IVAPRFUZWOJPGQ-ZETCQYMHSA-N 270.300 1.452 0 50 CDAA O=C(CCc1nc([C@H]2CCOC2)no1)NC1CCCC1 96163199 SLUGTDDJTMNPCC-JTQLQIEISA-N 279.340 1.565 0 50 CDAA CCc1nocc1CN(C)[C@H](C)C(=O)Nc1cc(C)no1 293528989 WSPMVUBFJUAYLU-SNVBAGLBSA-N 292.339 1.992 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccnc1 238901698 MEGKOTWHALFPHX-GAIPPQHRSA-N 258.277 1.543 0 50 CDAA COc1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)cc1 239248032 XXCRXJCKFLTCQG-LBPRGKRZSA-N 296.392 1.164 0 50 CDAA CN(CC(F)(F)F)C(=O)CCCn1cncn1 97376099 JEQUTZSVAHNABR-UHFFFAOYSA-N 250.224 1.079 0 50 CDAA CO[C@H]1CCN(C(=O)c2cc(-c3ccccc3)nn2C)C1 336221253 TZLQULKOERZTMW-ZDUSSCGKSA-N 285.347 1.948 0 50 CDAA CCCc1nc(C)c(C(=O)N2CC3(CCOC3)C2)o1 294455797 OZBVMHOFRJZIDD-UHFFFAOYSA-N 264.325 1.798 0 50 CDAA CC[C@@H](NC(=O)CCCc1cn[nH]c1)[C@H]1C[C@H](O)C1 244691914 JLBVQJUSYXUTBB-JHJVBQTASA-N 265.357 1.398 0 50 CDAA CCN1CCN(C(=O)CN2CCCc3ccccc32)CC1 244180842 VJAIUXNWHALJKP-UHFFFAOYSA-N 287.407 1.603 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)N1CCC2(C1)Oc1ccccc1O2 295962003 HVKHBYVJQOXRKY-RISCZKNCSA-N 289.331 1.811 0 50 CDAA O=C(Cc1ccccc1)Nc1ccnn1C1CCNCC1 601012399 FNDMUIWAKNYHAF-UHFFFAOYSA-N 284.363 1.989 0 50 CDAA CC(C)COc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1 299747023 BWELRUUBCSAIJX-KBPBESRZSA-N 292.379 1.060 0 50 CDAA Cn1nncc1CN1CC[C@@H](n2cnc3c2CCCC3)C1 299752604 USTASNZSDXIXLT-GFCCVEGCSA-N 286.383 1.337 0 50 CDAA C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)c2ccccc2)CCN1C 299750900 ORQWIPGFNICWQT-BPLDGKMQSA-N 275.396 1.628 0 50 CDAA CCCCNC(=O)[C@H]1CCCN([C@H](C)C(=O)O)C1 299747850 FIYZSOYIZSOLTN-MNOVXSKESA-N 256.346 1.088 0 50 CDAA Cc1ccc(OC2CN(C(=O)CCCC(=O)O)C2)cc1 252486488 HLZDNPIWBYSJLL-UHFFFAOYSA-N 277.320 1.840 0 50 CDAA Cc1cnn([C@@H](C)CNC(=O)c2cccc(O)n2)c1 534576748 NHGKSCKNFMYLEF-JTQLQIEISA-N 260.297 1.283 0 50 CDAA CCOc1ccc(C(=O)NCC2(COC)CC2)o1 534587173 JTFYZFLBYCRMML-UHFFFAOYSA-N 253.298 1.835 0 50 CDAA CSCC[C@H](C(=O)NCc1ncn(C)n1)n1cccc1 263588905 ZRTAONJOFSFZFC-LLVKDONJSA-N 293.396 1.227 0 50 CDAA NC(=O)c1cncc(NCC2CCN(CC3CC3)CC2)n1 534659583 IUOUYSMLSLJYDM-UHFFFAOYSA-N 289.383 1.109 0 50 CDAA CC(C)CN(CC(=O)O)Cc1cc(C2CC2)n[nH]1 534653084 IIPCJCOGIHLNQA-UHFFFAOYSA-N 251.330 1.830 0 50 CDAA CCCCN(Cc1ccco1)C(=O)NCC(=O)N(C)C 534630558 RAKCQUFLZKYZEC-UHFFFAOYSA-N 281.356 1.680 0 50 CDAA COC[C@]1(C)CN([C@H](C(=O)O)c2ccsc2)CCO1 629379417 PEXHSJJXZTXJNS-AAEUAGOBSA-N 285.365 1.611 0 50 CDAA CC(C)n1cnnc1CCNC(=O)[C@]1(C)CCCCO1 299776275 MRDMXRSMQXVRSQ-AWEZNQCLSA-N 280.372 1.477 0 50 CDAA Cc1c[nH]c(C(=O)N[C@@H](C)c2nnc(C(C)C)o2)n1 299800613 UGGRABCCXSUOBM-QMMMGPOBSA-N 263.301 1.716 0 50 CDAA Fc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 299790277 BQZWUEXFEZVYGD-GJZGRUSLSA-N 288.326 1.763 0 50 CDAA Cc1cc(Cn2cnc(C)c(Br)c2=O)ncn1 1434452796 VKUOPJGLXLQZLP-UHFFFAOYSA-N 295.140 1.461 0 50 CDAA O=C(O)c1cnc(N2C[C@H]3C[C@H](O)C[C@H]3C2)c(Cl)c1 1857692038 LPAVBNUMOTYAQB-MYJAWHEDSA-N 282.727 1.640 0 50 CDAA C[C@@H](O)C(=O)NCC1(N2CCCCC2)CCCC1 584888973 VHQZGNQNANDQSP-GFCCVEGCSA-N 254.374 1.282 0 50 CDAA CCc1nnc(Cn2cnc3cccnc3c2=O)s1 584903268 OHNWAOLJIFFUPZ-UHFFFAOYSA-N 273.321 1.254 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)CN1CCCCC1=O 584899681 GRFILUAJTCGURP-LLVKDONJSA-N 293.371 1.049 0 50 CDAA Cc1ccoc1C(=O)NC1(C(N)=O)CCCCCC1 670452548 ZSGADKQTYCRFLU-UHFFFAOYSA-N 264.325 1.896 0 50 CDAA Cc1nn[nH]c1C(=O)NC(C)(C)Cc1ccc(O)cc1 584897955 BPJHJXMZUJYTRB-UHFFFAOYSA-N 274.324 1.570 0 50 CDAA Cc1cnccc1C(=O)N1C[C@@H]2CCC[C@H](C1)C(=O)N2C 670452795 ONFKFTPAQZSMIC-OLZOCXBDSA-N 287.363 1.473 0 50 CDAA C[C@@H](Cc1cccnc1)n1cnc2cnccc2c1=O 584901934 ZKROWDMRIMBMFH-NSHDSACASA-N 266.304 1.990 0 50 CDAA CC(C)c1nnsc1C(=O)N[C@H]1CCc2c[nH]nc2C1 670441096 YYTJDGSCHCWMMS-VIFPVBQESA-N 291.380 1.672 0 50 CDAA Cc1cc(CO)oc1C(=O)N1CC(O)(c2ccccc2)C1 870235935 XMMYJSQAXKIKGK-UHFFFAOYSA-N 287.315 1.424 0 50 CDAA C[C@@H](N[C@H]1C(=O)NCC1(C)C)C1(Br)CC1 952876870 GXRXZSWZCUYMLJ-SFYZADRCSA-N 275.190 1.417 0 50 CDAA CCCOc1cccc(NC(=O)[C@]2(N)CC[C@@H](O)C2)c1 952884248 RPOJIQADDSFYRL-DOMZBBRYSA-N 278.352 1.656 0 50 CDAA O=C(NCC1C2(CC2)C12CC2)C1(c2cc[nH]n2)CC1 1875320485 REZLGTIPAYYQRN-UHFFFAOYSA-N 257.337 1.748 0 50 CDAA N[C@@H]1C[C@H](O)[C@H]1CC(=O)Nc1ccc(-c2cncnc2)cc1 1875350057 YYQSBFIDDAVSNT-ZNMIVQPWSA-N 298.346 1.180 0 50 CDAA CO[C@H]1CN(C(=O)N2CCc3cc(F)cnc32)C[C@H]1OC 1875316576 AEIPLKDNRCPOBA-TXEJJXNPSA-N 295.314 1.049 0 50 CDAA CC(C)Nc1nnccc1C(=O)N1CC[C@H](CCCO)C1 952994125 QGRGAVMCWAMWDC-LBPRGKRZSA-N 292.383 1.532 0 50 CDAA N[C@H](C1CCCCCC1)C1(O)C[C@@H]2CC[C@H](C1)N2 958528624 XFMHLFPYNMCAMP-PEUVFPKISA-N 252.402 1.930 0 50 CDAA CCCN(C)CC(=O)N1CCOc2ccccc2[C@@H]1CO 887109628 PGOSNQLHEUTWIR-AWEZNQCLSA-N 292.379 1.283 0 50 CDAA COC(=O)C(=O)CC(=O)c1ccc(OC(C)C)c(F)c1 1775975967 HMKSBKVANPDJFX-UHFFFAOYSA-N 282.267 1.928 0 50 CDAA CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC1 209712050 CETARMVULOWSTO-IGLBNKAOSA-N 268.382 1.477 0 50 CDAA CC[C@@H]1C[C@H](CC(=O)N[C@H]2C[C@H](O)C2(C)C)CCO1 408377411 WTQUHLLUOKTVNJ-NDBYEHHHSA-N 269.385 1.857 0 50 CDAA O=C(NC1CCCCC1)N1CCC2(CC1)OCCO2 1367774 YYQHLKZEPMBGOR-UHFFFAOYSA-N 268.357 1.868 0 50 CDAA C[C@H](O)CNC(=O)N=c1cc(-c2cccc(F)c2)o[nH]1 408515121 KKZXXMGAOGJPFC-QMMMGPOBSA-N 279.271 1.405 0 50 CDAA CC[C@H]1Cc2ccccc2CN1CCCC(=O)NC(N)=O 185802165 FIBJXYJXDUQMDZ-AWEZNQCLSA-N 289.379 1.798 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H]2CCCOC2)cn1 275454366 RKAXDBRLRIOTCC-KWCYVHTRSA-N 293.367 1.183 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)Nc1nc2cccnc2n1C 277094220 RYGUFKXBZQQUED-VHSXEESVSA-N 274.324 1.722 0 50 CDAA CCOCCCC(=O)N1CCSC[C@@H]1C(=O)OCC 514432209 YUMQPTWCGNOLGE-LLVKDONJSA-N 289.397 1.310 0 50 CDAA Cc1ccc(Cn2cnc3c(cnn3C)c2=O)c(C)n1 186460045 QJEYPFBWEZDNRF-UHFFFAOYSA-N 269.308 1.190 0 50 CDAA CC(C)(O)CNC(=O)NCc1nc2ccccc2[nH]1 170089934 DTDOCCLRMXIAKY-UHFFFAOYSA-N 262.313 1.133 0 50 CDAA Cc1cc(NC(=O)c2n[nH]c3ccccc3c2=O)sn1 170017735 HZCINICLDANMLQ-UHFFFAOYSA-N 286.316 1.940 0 50 CDAA Cc1noc(C)c1Cc1nc(CCCN(C)C)no1 170598151 VVVZDQFZBFNCEV-UHFFFAOYSA-N 264.329 1.759 0 50 CDAA CCc1cnccc1C(=O)N(C)C1(C(N)=O)CCCC1 170604770 CDVHCSXGJKYFAT-UHFFFAOYSA-N 275.352 1.514 0 50 CDAA CCO[C@H]1C[C@](O)(CNCc2ccncc2)C1(C)C 170608455 ABPFFUYCARVXAX-ZFWWWQNUSA-N 264.369 1.737 0 50 CDAA OC[C@@H]1CC[C@H](CN[C@@H]2CCCC23CCOCC3)O1 556207861 BBBWFKOLQOZKEU-HZSPNIEDSA-N 269.385 1.465 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(CC(F)(F)C(F)F)CC1 191435364 MZEWYQSGLNDBFR-QMMMGPOBSA-N 286.269 1.368 0 50 CDAA Cc1noc2ncnc(N3CC[C@@]4(CCOC4)C3)c12 193399082 BAJOBSUWDKOSOI-CYBMUJFWSA-N 260.297 1.543 0 50 CDAA O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc(SCCO)cc1 1074649088 KWLZUNPEQPZXNZ-BFHYXJOUSA-N 293.388 1.678 0 50 CDAA COCC(=O)N1CCN(Cc2sccc2Cl)CC1 194325715 KWICNABBJGHPPZ-UHFFFAOYSA-N 288.800 1.692 0 50 CDAA CC(C)(C)n1cc(Cn2ncc3c2C[C@@H](O)CC3)nn1 664008180 YPNZZVCTRDWMPL-LBPRGKRZSA-N 275.356 1.128 0 50 CDAA Nc1nc(NCCc2ccc3c(c2)CCO3)c2ncnc-2[nH]1 758863383 BXKFWSBJTDJSMK-UHFFFAOYSA-N 296.334 1.476 0 50 CDAA COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H]1CO1 669371550 FZZDDTVBFJQTAT-NSHDSACASA-N 274.276 1.437 0 50 CDAA O=C(O)C[C@@H]1CCCN(C(=O)c2ncncc2Cl)CC1 585655573 COORNCLZLZFERD-SECBINFHSA-N 297.742 1.847 0 50 CDAA O=S(=O)(C[C@H]1CCC1(F)F)NCCc1cnoc1 907389759 UBPLHBBUJFIABL-SECBINFHSA-N 280.296 1.182 0 50 CDAA Cc1cc(O)nc(C)c1NC(=O)CCCn1cncn1 1875248331 LJGVWRSLOXSNJU-UHFFFAOYSA-N 275.312 1.414 0 50 CDAA CCCN1C[C@H](NCc2ccc(CC)cn2)CC1=O 1529161507 KZMZAAUMYJWCPJ-CQSZACIVSA-N 261.369 1.745 0 50 CDAA O=C(O)[C@H]1CCCN1Cc1nnc(-c2cccnc2)o1 1529174955 ZTLDHXQFAWZLML-SNVBAGLBSA-N 274.280 1.181 0 50 CDAA C[C@H](C(=O)NCCc1nccs1)C1CCOCC1 125170786 OZIWSRHPVJJPAK-JTQLQIEISA-N 268.382 1.865 0 50 CDAA CC(C)(C)CCC(=O)N(CCO)Cc1ncc[nH]1 1704312631 GSBDGDHLIOGRGH-UHFFFAOYSA-N 253.346 1.557 0 50 CDAA CCN(C)c1cc(NCc2nc(CSC)no2)ncn1 1704347128 FOEFKZKARDFYGM-UHFFFAOYSA-N 294.384 1.791 0 50 CDAA Cc1cc(C(=O)N(CCO)Cc2cnc(C)[nH]2)cc(C)n1 1704311732 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CC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)C(=O)O 237036433 VCZTTYMEDMJRPW-UWVGGRQHSA-N 276.292 1.092 0 50 CDAA CCCn1ncc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)c1C 91288957 YDAYTHPMHHRZQT-HNNXBMFYSA-N 279.384 1.835 0 50 CDAA O=C(c1cnc2c(c1)CCCC2)N1[C@H]2CC[C@@H]1CCNC2 97674470 VRAQLUUFEHFVFE-CABCVRRESA-N 285.391 1.927 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)[C@H]1CCCN1Cc1ccccc1 294187696 FTUNTOJBCCBQIP-TZMCWYRMSA-N 290.363 1.583 0 50 CDAA CC(C)c1cc(-c2nc(CN3CCOCC3)no2)n(C)n1 96133610 UCEIPMQNYODJNF-UHFFFAOYSA-N 291.355 1.426 0 50 CDAA COCC1(C(=O)N2CCN(c3ccncc3)CC2)CCC1 97436781 KJPIYLIKHOJKPW-UHFFFAOYSA-N 289.379 1.547 0 50 CDAA CCc1nnc(NCCCn2nnc3ccccc32)o1 92037494 GHGGLCLMMJNKJZ-UHFFFAOYSA-N 272.312 1.879 0 50 CDAA Cn1cc(CCC(=O)N[C@H]2Cc3ccccc3[C@@H]2N)cn1 97394373 CVJZOURRNYZVIA-HOCLYGCPSA-N 284.363 1.094 0 50 CDAA O=C(c1cnc(C2CC2)nc1)N1CCN2CCCC[C@@H]2C1 294729362 NFTFZYRFBCJHDD-CQSZACIVSA-N 286.379 1.664 0 50 CDAA COc1ccc(-c2n[nH]c(CO)n2)c2cccnc12 96161068 HVYGCBYZHMSIGV-UHFFFAOYSA-N 256.265 1.521 0 50 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CN(CCN1CCCC1)C(=O)c1cccc2c1CCC2=O 584899725 RZPZOJGKEHRZBE-UHFFFAOYSA-N 286.375 1.983 0 50 CDAA O=C(NC1(c2ccccc2F)CC1)[C@H]1C[C@H]1C(=O)O 268956285 VJRJYJIDAWRESD-DTWKUNHWSA-N 263.268 1.652 0 50 CDAA COC(=O)Cc1cc(O)nc2c(F)cc(F)cc12 675081750 KNJKNMOXIJIUJS-UHFFFAOYSA-N 253.204 1.934 0 50 CDAA COCCn1cnnc1CN(C)c1nc2ccccc2o1 670473123 VZFCKLBJFXZPLN-UHFFFAOYSA-N 287.323 1.702 0 50 CDAA Cc1nonc1CNC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 873283854 KUIHFODKBURKDS-NWDGAFQWSA-N 294.355 1.477 0 50 CDAA C[S@@](=O)c1cccc(NC(=O)C2(C(=O)O)CC=CC2)c1 1875278032 URMBVGHAVFWNCZ-HXUWFJFHSA-N 293.344 1.784 0 50 CDAA CCc1noc(C2(NC(=O)C3CC3)CCOCC2)n1 1875268245 VVOFXPJPFMSUBU-UHFFFAOYSA-N 265.313 1.164 0 50 CDAA O=C(Nc1ccc2c(=O)[nH]ccc2c1)[C@@H]1C[C@H]2CNC[C@H]21 1875267347 PATDYFXXLPCMLK-ZLKJLUDKSA-N 283.331 1.322 0 50 CDAA Cc1nc(=NC[C@H]2C[C@@H](NC(=O)c3ccco3)C2)s[nH]1 1875303192 ARGSAUCHHZLVRV-AOOOYVTPSA-N 292.364 1.482 0 50 CDAA CO[C@@H]1CN(C)[C@@](C)(C(=O)NCc2cc(C)ccn2)C1 1875335292 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C[C@@H](O[C@H](C)C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)C(=O)O 634870750 RXMAKMGORNSQOQ-QQBIAFPNSA-N 295.379 1.902 0 50 CDAA Cn1cc(CCNCc2ccc(Cl)s2)nn1 585089172 YGAQEQHZAHJVFZ-UHFFFAOYSA-N 256.762 1.862 0 50 CDAA CC(C)(C)n1nnnc1CN1CC[C@@H](c2ncc[nH]2)C1 585116141 IPVPFBXTCRPBOH-SNVBAGLBSA-N 275.360 1.141 0 50 CDAA Cc1ccc(O[C@H](C)C(=O)NC[C@H]2CCCC(=O)N2)cc1 683973581 SAPMHPUVMNTCHN-CHWSQXEVSA-N 290.363 1.547 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(c2nccc(C)c2Cl)C1 643720636 JRHGXCQVJFYJIW-AWEZNQCLSA-N 297.786 1.511 0 50 CDAA O=C(O)Cc1ccc(S(=O)(=O)N2CC=CCC2)cc1F 645951881 IZFGWAGGUGLFEV-UHFFFAOYSA-N 299.323 1.403 0 50 CDAA COc1cccc(C2CCN(C(=O)c3c[nH]nn3)CC2)c1 194784107 PIGFJMNWVNCPSR-UHFFFAOYSA-N 286.335 1.833 0 50 CDAA COC(=O)[C@@H](Cc1ccncc1)NC(=O)Cc1ccoc1 565203768 HPCPOQWJCYTQTG-CYBMUJFWSA-N 288.303 1.118 0 50 CDAA CN1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)C1=O 194982932 YPWBIRURZQQPJP-RWMBFGLXSA-N 291.326 1.212 0 50 CDAA Cn1nccc1[C@H](NC(=O)C1CCC=CCC1)C(=O)O 718123105 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1.931 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)COCCc1ccccc1 136503438 MIMJLWXQUAOHBN-CQSZACIVSA-N 291.347 1.711 0 50 CDAA CCOc1cc(N(C)C[C@H]2CCc3nccn3C2)ncn1 328635144 UORJKMOAHYMWRJ-GFCCVEGCSA-N 287.367 1.771 0 50 CDAA COc1ccc2nc(C)cc(C(=O)N3CCN[C@H](C)C3)c2c1 237303486 DDIQPIONXVMPNT-GFCCVEGCSA-N 299.374 1.986 0 50 CDAA CCCN(CCC)C(=O)N[C@@H](C)c1nnnn1C1CC1 240668065 HMDLSMDOKNDULC-JTQLQIEISA-N 280.376 1.901 0 50 CDAA C[C@H](NC(=O)c1cc(O)nc(C2CC2)n1)c1ccnn1C 828908174 ISMBPXAMVRIIQV-QMMMGPOBSA-N 287.323 1.284 0 50 CDAA CN(CCNC(=O)[C@@](C)(O)c1ccc(F)cc1)C1CC1 930648835 AXQPVNANPPHSDT-HNNXBMFYSA-N 280.343 1.244 0 50 CDAA CC(C)c1scnc1NC(=O)C[C@H]1CC(=O)NC1=O 936020932 ITIWLNNNCCHIMV-ZETCQYMHSA-N 281.337 1.258 0 50 CDAA CS[C@@H]1CCCCN([C@@H](C)C(=O)NC2CC2)C1 229899078 FIYBELUNFNBLBI-CMPLNLGQSA-N 256.415 1.871 0 50 CDAA Cc1ccc(C(=O)Nc2nnn[nH]2)c(Br)c1 122613176 GZZBYAABBJJVFH-UHFFFAOYSA-N 282.101 1.523 0 50 CDAA NC1(C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CCCCC1 237901763 OWJWMJMOIDWNJG-OLZOCXBDSA-N 282.384 1.054 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1nc(C(F)(F)F)cs1 268885469 BZFNQDFKNBEZFY-RFZPGFLSSA-N 294.254 1.499 0 50 CDAA CC(C)(C)C[C@@H](NC(=O)c1ccc(F)cn1)C(=O)O 401533245 WVYPVRCSUFACKO-SNVBAGLBSA-N 268.288 1.840 0 50 CDAA N[C@H]1CCCN(C(=O)c2cnn3ccccc23)CC1 72161718 FEHWUHBKYKWUHS-NSHDSACASA-N 258.325 1.288 0 50 CDAA Cc1cnc(Nc2ccc3ncnn3c2)nc1N(C)C 2100556916 KSBSNVVIQSCWLM-UHFFFAOYSA-N 269.312 1.637 0 50 CDAA Cc1ccn2c(C(=O)N[C@@H]3C[C@H](CN)C3(C)C)cnc2c1 2325800028 HVIKFQHBWOLTER-DGCLKSJQSA-N 286.379 1.746 0 50 CDAA Cn1nncc1C(=O)NC1(C)CCN(c2ccccc2)CC1 2325810823 HIQLLRQDIYALKC-UHFFFAOYSA-N 299.378 1.604 0 50 CDAA COc1cnc(CNC(=O)c2ccc3ccnn3c2)nc1 2325875820 CQLHWRFPUJPJEQ-UHFFFAOYSA-N 283.291 1.063 0 50 CDAA C[C@H]1CN(C(=S)NC(=O)C(C)(C)C)C[C@H](C)O1 308483 OIMVSOKYWFUSCE-IUCAKERBSA-N 258.387 1.543 0 50 CDAA Cc1nonc1OCCNC(=O)c1ccc2ccccn12 2356151181 VZNKQSNLTGUMRP-UHFFFAOYSA-N 286.291 1.440 0 50 CDAA O=C(COc1ccc2c(c1)CCC2)NCCCn1ccnc1 4749986 ZTZYQLFYHHYOHQ-UHFFFAOYSA-N 299.374 1.957 0 50 CDAA C[C@@H](C(=O)O)N(c1cccc(Cl)c1)S(C)(=O)=O 4867707 CGIDUVLBGIJSEL-ZETCQYMHSA-N 277.729 1.579 0 50 CDAA CCOc1cncc(N2C[C@H](OC)C[C@H]2COC)n1 343791357 SWVZMQLYDZJGJM-WDEREUQCSA-N 267.329 1.115 0 50 CDAA CCc1n[nH]c(=O)c(C(=O)N2C[C@H]3[C@H](C2)C3(C)C)c1CC 225468498 DPHMNBUSLUHFQD-QWRGUYRKSA-N 289.379 1.623 0 50 CDAA COCc1nc2n(n1)CCC[C@@H]2NC(=O)C1[C@@H]2CCC[C@@H]12 246620504 BXIGLDIZXHVERD-MXWKQRLJSA-N 290.367 1.422 0 50 CDAA CCOC(=O)C(=O)[C@@H]1CCc2cc(OC)ccc2C1=O 100407647 QIRCBDQRVKBZED-GFCCVEGCSA-N 276.288 1.573 0 50 CDAA O=c1ccc(CCc2nc(-c3ccsc3)no2)n[nH]1 20601115 UQLOMBFUWBORIU-UHFFFAOYSA-N 274.305 1.667 0 50 CDAA OCCN1CCc2onc(-c3cccc(F)c3)c2C1 67820863 QXAIGWAUMIEYCY-UHFFFAOYSA-N 262.284 1.831 0 50 CDAA CC(C)Oc1cc(N[C@@H](C)Cc2cnccn2)nc(N)n1 65407335 BXKPVJVQESKZCH-JTQLQIEISA-N 288.355 1.679 0 50 CDAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CCOCC1)C2 67805266 YGZSVMUGGZOYAI-LLVKDONJSA-N 293.367 1.181 0 50 CDAA CCn1cncc1[C@H]1CC(=O)Nc2c1c(C)nn2C 65373136 PJWBOMZMFLDDFL-SECBINFHSA-N 259.313 1.419 0 50 CDAA O=C(c1cc(-c2cccnc2)on1)N1CCOCC1 20479447 DQHQCONYBKBRDG-UHFFFAOYSA-N 259.265 1.209 0 50 CDAA COCc1cc(CNC2CSCCSC2)n[nH]1 67872324 RRLRIZQRQCBDSC-UHFFFAOYSA-N 273.427 1.494 0 50 CDAA C[C@H](CCN(C)C(=O)c1cncn1C)N1CCCC1 1506420163 WOOLEYXCOPOHTD-GFCCVEGCSA-N 264.373 1.367 0 50 CDAA CC[C@H](C)N(C(=O)CS(C)(=O)=O)C1CCCC1 65385513 ZQFWGPUPHFCNQP-JTQLQIEISA-N 261.387 1.601 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2ccccc2OCCOC)C1 150995724 MSLSODCSPVHSSB-CYBMUJFWSA-N 292.379 1.536 0 50 CDAA FC(F)(F)CN1CC[C@H](N[C@H]2C[C@H]3CC[C@H]2O3)C1 252517979 WKROMSAOTVCNJZ-ZRUFSTJUSA-N 264.291 1.533 0 50 CDAA CC1(C)NC(=O)N(CCN2CCC[C@@H]3CCCC[C@H]32)C1=O 230193454 PGLSPTYIULVXPI-QWHCGFSZSA-N 293.411 1.971 0 50 CDAA c1ccc(-n2nccc2[C@@H]2NCCc3[nH]cnc32)cc1 65386983 QBHQDVWGUDHWSY-HNNXBMFYSA-N 265.320 1.831 0 50 CDAA CN(C)c1ncccc1CNC(=O)C1(Cn2ccnc2)CC1 67867895 MFUQXOLFUOXTMP-UHFFFAOYSA-N 299.378 1.441 0 50 CDAA COc1cc(N[C@H](C)Cn2nc(C)cc2C)ncn1 65404014 GVFQZNIRKNDRGW-SNVBAGLBSA-N 261.329 1.799 0 50 CDAA Cc1co[nH]c1=NC(=O)N(C)C[C@@H]1CCn2ccnc2C1 328616432 BRPUHDOTIRFMCW-LLVKDONJSA-N 289.339 1.328 0 50 CDAA COc1ccccc1CC(=O)N1C[C@H](C)O[C@@H](C)C1 30168 UOQGXAMASGLFKS-RYUDHWBXSA-N 263.337 1.874 0 50 CDAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccco1 78260 ZMMCCRDZRJWDQX-JTQLQIEISA-N 266.322 1.636 0 50 CDAA biogenic CCN1CCC[C@H](N2CCC[C@@H](CN3CCCC3=O)C2)C1 32541248 MSEIUFLSRDEAKW-CVEARBPZSA-N 293.455 1.805 0 50 CDAA Cc1n[nH]nc1C(=O)N1CCC(CN2CCCC2)CC1 189002892 XDGXMMNGOPZJRR-UHFFFAOYSA-N 277.372 1.061 0 50 CDAA C[C@H](NC(=O)c1cccn1C1CCNCC1)c1ncon1 125504734 NEFSZMMFLOYLFV-JTQLQIEISA-N 289.339 1.287 0 50 CDAA Cc1cccc(CCNC(=O)CCCn2cncn2)n1 219612396 PCLFAPWKUBSZHJ-UHFFFAOYSA-N 273.340 1.121 0 50 CDAA C[C@@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 173149274 ZWACEQZNPOVOKG-KGLIPLIRSA-N 293.411 1.925 0 50 CDAA O=C(O)[C@H](O)[C@H](O)c1ccc(Cl)cc1Cl 71766165 OJZQXHMKUVIAIM-HTQZYQBOSA-N 251.065 1.472 0 50 CDAA Cn1nncc1S(=O)(=O)N1CCC[C@@H]1c1cccs1 333319296 PKVQZWBVWAEOOZ-SECBINFHSA-N 298.393 1.402 0 50 CDAA c1cn([C@@H]2CCCN(CCO[C@H]3CCCCO3)C2)nn1 333436886 VNZRAFKVHKHHCI-KGLIPLIRSA-N 280.372 1.458 0 50 CDAA COc1ccccc1OCCN(C)C(=O)[C@H]1CCC[C@H]1N 237145531 SQMSKZAMQHYUOB-QWHCGFSZSA-N 292.379 1.660 0 50 CDAA Cn1[nH]c([C@H]2CCCN2CC23CCC(CC2)C3)nc1=N 333666088 HXZHAPQEBNYKBD-MQYJIDSJSA-N 275.400 1.945 0 50 CDAA C[C@H]1C[C@@H](C)C[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1=O 72107414 YPHMISFOHDHNIV-RBLKWDMZSA-N 281.352 1.042 0 50 CDAA biogenic,in-vitro Cc1nn(C)c(C)c1[C@@H](C)C(=O)NC[C@H](C)CC(=O)O 262167224 OFIHPCVMDJORLX-RKDXNWHRSA-N 281.356 1.367 0 50 CDAA CN(C)c1noc([C@@H]2CCCN2C(=O)CC2CC2)n1 373571593 GLGBPUGTPHYOCS-JTQLQIEISA-N 264.329 1.599 0 50 CDAA O=C(CN1CCC[C@@H]1c1ncc[nH]1)Nc1nccs1 378434696 LEXIJGSELXRUSZ-SECBINFHSA-N 277.353 1.642 0 50 CDAA Cc1c(F)cccc1C(=O)N1CC[C@](O)(C(F)F)C1 335004728 DHZWPKKMJQDPLP-CYBMUJFWSA-N 273.254 1.976 0 50 CDAA CO[C@]1(CNC(=O)c2cc(C)n(C(C)C)n2)CCOC1 450634667 HGOVVJXNRQGYET-AWEZNQCLSA-N 281.356 1.308 0 50 CDAA Cc1cncc(CNC(=O)c2cnn3ccc(C)nc23)c1 124663947 QOXRGSBWPKJXKY-UHFFFAOYSA-N 281.319 1.671 0 50 CDAA COC[C@H]1CCN(Cc2cnc(N3CCCCC3)nc2)C1 215826868 HFNVDMDTULFQSQ-AWEZNQCLSA-N 290.411 1.935 0 50 CDAA O=C(O)CCCN1CCN(Cc2cccc(F)c2)C(=O)C1 131076720 HSWVZSGIDOFGNQ-UHFFFAOYSA-N 294.326 1.335 0 50 CDAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1c[nH]nn1 174919936 FSQDJJZXDFLNTN-AWEZNQCLSA-N 299.378 1.399 0 50 CDAA Cc1csc([C@@H]2CN([C@H]3CCOC3=O)CCO2)n1 241795471 RZLMQLHOAVSWSF-UWVGGRQHSA-N 268.338 1.140 0 50 CDAA O=C(Cn1ccnn1)NC1(c2cccc(F)c2)CC1 176906477 QUIJSUGHVQQKDV-UHFFFAOYSA-N 260.272 1.223 0 50 CDAA COc1ccnc(N2CCC[C@H](c3ccn[nH]3)C2)n1 193847054 ZYJMPYDBEXWNOZ-JTQLQIEISA-N 259.313 1.592 0 50 CDAA CC[C@H]1COCCN1C(=O)C1=C(C)N2CCN=C2S1 223576023 QLEPGMLZAZOABJ-JTQLQIEISA-N 281.381 1.274 0 50 CDAA CC(=O)CCc1ccc(ON2CCCNCC2)cc1 426493977 HYQIXEZGKKMQEV-UHFFFAOYSA-N 262.353 1.797 0 50 CDAA CN(C)c1ccccc1C(=O)NCc1nccn1C 82261821 ZYRGUHHAMJPVIB-UHFFFAOYSA-N 258.325 1.416 0 50 CDAA CC(C)c1cc(C(=O)NCC2(C)COC2)n(C)n1 82120988 GZAMJYLXKZRPEQ-UHFFFAOYSA-N 251.330 1.310 0 50 CDAA C[C@@H]1CN(C(=O)COc2ccc(F)cc2F)C[C@@H](C)N1 179151462 FWGNGZADWNGSEE-NXEZZACHSA-N 284.306 1.552 0 50 CDAA Nc1ccc(-c2cc(C(=O)N3CCCC3)ccn2)cn1 96151285 KEFVERARMAFUDC-UHFFFAOYSA-N 268.320 1.962 0 50 CDAA Cn1cc(CCCN2CC3(CCNCC3)CCC2=O)cn1 91645858 YOWCLIMQUZVFIM-UHFFFAOYSA-N 290.411 1.345 0 50 CDAA Cc1nc(-c2cccnc2)ncc1C(=O)NCc1ccon1 97655464 KUDZHDVAPNCWQE-UHFFFAOYSA-N 295.302 1.765 0 50 CDAA Cc1ccccc1[C@@H]1CN(CC(=O)O)C[C@H]1C(=O)O 91707109 CHBVKWUZIRWONB-NWDGAFQWSA-N 263.293 1.180 0 50 CDAA COCCc1ncc(CN(C)Cc2nccn2C)cn1 97819448 JJHLUGCBPZSQSL-UHFFFAOYSA-N 275.356 1.031 0 50 CDAA CC(=O)SC[C@@H](C)C(=O)N1CCS[C@@]1(C)C(=O)O 95918232 LKDWNVQWERFIAC-HQJQHLMTSA-N 291.394 1.278 0 50 CDAA COc1cccc2c1OC[C@@H](Cc1ncccc1C(N)=O)C2 95380696 WPTKTHGSTXKQTN-LLVKDONJSA-N 298.342 1.983 0 50 CDAA CC(C)Cc1nc(CCc2cn[nH]c2)n(CC(=O)O)n1 97495079 SHDWVAHZQYPDSC-UHFFFAOYSA-N 277.328 1.070 0 50 CDAA CCN(C(=O)CCN(C)C[C@@H](O)CO)c1ccccc1C 244858623 VORJSFGCIKNZFO-CQSZACIVSA-N 294.395 1.023 0 50 CDAA COc1ccc(CCN(C)C[C@@H]2COCCO2)cc1OC 244673660 HTJJKIVRFGXQIG-CQSZACIVSA-N 295.379 1.594 0 50 CDAA Cc1cccc2nc(CNC(=O)C[C@@H]3CCOC3)[nH]c12 345839817 PIFXHNHSVINMDM-NSHDSACASA-N 273.336 1.914 0 50 CDAA Cc1ccc(CC(=O)N2CC[C@H](O)CC(C)(C)C2)cn1 296781140 CWXMUNXEABPGIP-AWEZNQCLSA-N 276.380 1.942 0 50 CDAA CS(=O)(=O)Nc1ccc([C@H]2CCCCN2)cc1 258710965 RUPZEAYWIIWCGS-GFCCVEGCSA-N 254.355 1.873 0 50 CDAA CCOCCC(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 299746140 VPHVWLPCGXADMU-HTQZYQBOSA-N 283.246 1.135 0 50 CDAA CCN1C(=O)N[C@@H](c2ccc(OC)cc2)C2=C1COC2=O 263615606 DEOLWBPICNOTDV-ZDUSSCGKSA-N 288.303 1.592 0 50 CDAA CCc1nc(CN2CCN(C(=O)c3ccccc3)CC2)n[nH]1 185153125 IDQWCKUNHKPCPE-UHFFFAOYSA-N 299.378 1.325 0 50 CDAA COCCN1C(=O)N[C@H](c2cccs2)C2=C1COC2=O 263617813 PTWITDIRYCNRDN-LLVKDONJSA-N 294.332 1.272 0 50 CDAA Cc1cnc([C@H](C)NC(=O)C2(Cn3cccn3)CC2)[nH]1 534663428 YLWBEHQTCCIPND-NSHDSACASA-N 273.340 1.572 0 50 CDAA Cc1c(CO)cccc1-c1cnc(N2CCC[C@H](O)C2)nc1 629759839 IMDCFENZGGHWJQ-HNNXBMFYSA-N 299.374 1.905 0 50 CDAA CCN(C#N)CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 864090841 AWOTUESFSLHZDO-CYBMUJFWSA-N 296.415 1.778 0 50 CDAA Cc1ccccc1OC[C@@H](O)CN1[C@H]2CC[C@H]1CN(C)C2 864091184 PASJBNLMWBEYQD-JYJNAYRXSA-N 290.407 1.513 0 50 CDAA CCc1ccc2ncn([C@H]3COC[C@@H]3OC)c(=O)c2c1 584891525 UHMDMYDKPNRMTI-KBPBESRZSA-N 274.320 1.545 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)c1cncc(O)c1 584891178 KENYZMNRVBOIAX-VIFPVBQESA-N 275.312 1.280 0 50 CDAA COc1ccc2nc(CNC(=O)Cn3ccc(C)n3)[nH]c2c1 584902450 GXEQXJDJNBQMHE-UHFFFAOYSA-N 299.334 1.393 0 50 CDAA C[C@@H](CS(C)(=O)=O)N1CC(Oc2ccccc2)C1 584903394 VJSHVUFBIWPMFM-NSHDSACASA-N 269.366 1.183 0 50 CDAA CC(C)O[C@H]1CN(C(=O)c2cc(C(C)C)no2)C[C@@H]1O 584902622 OINAXRUOKLJMKF-AAEUAGOBSA-N 282.340 1.408 0 50 CDAA Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCCC2)c(O)cn1 584891270 MRJUCFPQNHBVLH-AWEZNQCLSA-N 291.395 1.946 0 50 CDAA CCc1noc(C)c1Cn1c(=O)c2ccccc2c(=O)n1C 585137343 TZLRZFRROIGKFN-UHFFFAOYSA-N 299.330 1.607 0 50 CDAA Cc1[nH]ccc1C(=O)NCCN=c1cc[nH]cc1C 670470905 GLWOGOQERVLPFT-UHFFFAOYSA-N 258.325 1.290 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2c(C)ncnc2C)n[nH]1 670472054 GWEVUGMUVFZULI-MRVPVSSYSA-N 260.301 1.011 0 50 CDAA Cc1nc(C)c2c(n1)O[C@@H](CN1CCc3nocc3C1)C2 670460758 RLMSIDFXDITBHK-GFCCVEGCSA-N 286.335 1.443 0 50 CDAA Cc1n[nH]cc1CN(C)Cc1nc(C(F)(F)F)no1 670439999 LGYIDVRDOAVSEO-UHFFFAOYSA-N 275.234 1.752 0 50 CDAA CC1(C)CN(c2ncnc(C(C)(C)C)n2)[C@@H]2COC[C@H]2O1 1550632770 SMSJGZBEEBKKKA-GHMZBOCLSA-N 292.383 1.552 0 50 CDAA c1ccc2[nH]c(N3CCC(NC4CCNCC4)CC3)nc2c1 1875283593 XDDKUFIHRFAWKK-UHFFFAOYSA-N 299.422 1.873 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)Cc1nccn1C(C)C 1875370240 HLJVFLNLUOSBRF-UHFFFAOYSA-N 292.383 1.457 0 50 CDAA COC(=O)[C@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 1875315149 JTTARKNSICFFCW-SECBINFHSA-N 273.329 1.574 0 50 CDAA C=CC(=O)NCCC(=O)N1CCC[C@]2(CCCC[C@@H]2O)C1 1875370298 JOZVEIVXTJIXHC-XJKSGUPXSA-N 294.395 1.222 0 50 CDAA Cc1cc(C2CN(C(=O)N[C@@H](C)c3cn[nH]c3)C2)no1 1875303846 QAGIMSFHLWBVGA-VIFPVBQESA-N 275.312 1.576 0 50 CDAA O=C(O)[C@@H](c1ccc(F)cc1Cl)N1CC[C@@H](CO)C1 1875319166 QYZXEDPTVPTHEY-PRHODGIISA-N 287.718 1.919 0 50 CDAA C[C@@H]1CCN(C(=O)c2nccc3c2CNCC3)[C@@H]1C 1875304295 GKODHXDBHSDEKA-GHMZBOCLSA-N 259.353 1.598 0 50 CDAA C=CC(=O)N1CCC(C(=O)Nc2nnc(CC)s2)CC1 1875365646 KBDDCIUMXRKJPI-UHFFFAOYSA-N 294.380 1.464 0 50 CDAA C[C@H]1CN(C[C@@H](O)Cn2cccn2)CCN1C1CCCC1 952884276 WVZKDIBFAUUOIR-GOEBONIOSA-N 292.427 1.193 0 50 CDAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)C1(N)CCCC1 952869232 YVPHZGSREINQHT-AWEZNQCLSA-N 291.395 1.453 0 50 CDAA CC1=C(C(=O)N(Cc2noc(C)n2)C(C)C)OCCO1 952962887 DEMRMDZSXKOGMI-UHFFFAOYSA-N 281.312 1.393 0 50 CDAA COCCN1CCC[C@H](CNC(=O)C2CCCC2)C1 952966931 XPAPQEJYLNWHBE-CYBMUJFWSA-N 268.401 1.651 0 50 CDAA CCCc1nc(NCCN2CCCC[C@@H]2CO)no1 952871785 BELCGMKBHQEKFA-LLVKDONJSA-N 268.361 1.281 0 50 CDAA Ic1c[nH]nc1C1CCNCC1 958642867 FWACQKSGPCEJHK-UHFFFAOYSA-N 277.109 1.481 0 50 CDAA CN[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 133207800 OJGVCZBDYRRWHJ-LBPRGKRZSA-N 280.343 1.805 0 50 CDAA CCc1nn(C)c(CC)c1NC[C@@H]1CCCS(=O)(=O)C1 1776006814 WJRVTDABIPJBNH-NSHDSACASA-N 299.440 1.782 0 50 CDAA CSCC[C@@H](C)NS(=O)(=O)c1cncc(C)c1 1365147611 RWSLOMBXFCNPRU-SNVBAGLBSA-N 274.411 1.810 0 50 CDAA C1CC(CO[C@H]2COCC[C@@H]2NC2CCNCC2)C1 1565527027 HWMRFVOPGYXDAZ-GJZGRUSLSA-N 268.401 1.302 0 50 CDAA Cn1ncc2c1CN(C(=O)NCCc1ccc(F)cc1)C2 1186265765 XFTBPVXVAJCYFQ-UHFFFAOYSA-N 288.326 1.827 0 50 CDAA O=C(O)CCNS(=O)(=O)c1cscc1C(F)F 899546377 RTIMWWRUOLCOEP-UHFFFAOYSA-N 285.293 1.439 0 50 CDAA C[C@H]1C[C@@H](C(=O)NCCn2ccnn2)CC(C)(C)C1 584908507 VVCASRUDBGWKOX-NWDGAFQWSA-N 264.373 1.857 0 50 CDAA CCC[C@H]1CN(Cc2cnc(COC)nc2)C[C@@H]1N(C)C 91461493 FDLTVANBXJPCOU-GJZGRUSLSA-N 292.427 1.785 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]21 100058276 ICSLZBSYUJAPNS-GDNZZTSVSA-N 261.277 1.586 0 50 CDAA in-vitro CCO[C@@H]1C[C@@](CO)(NCc2ncc[nH]2)C1(C)C 186583567 XJKFTNOEEXPJMY-MFKMUULPSA-N 253.346 1.065 0 50 CDAA O=C([C@@H](O)C1CCC1)N1CCC[C@@H](CCO)CC1 515053148 ZYOMDTOKGMYDDE-YPMHNXCESA-N 255.358 1.159 0 50 CDAA CO[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)C1CCC1 633138602 QLDJFIZVIHKXKJ-GFCCVEGCSA-N 279.292 1.844 0 50 CDAA Cn1nccc1CCN1CC[C@@H](Oc2cccnc2)C1 170606263 FKHOXFJHNVJKKZ-OAHLLOKOSA-N 272.352 1.511 0 50 CDAA CCc1nsc(NC[C@@H](C)N2CCCCC2=O)n1 170606534 CPIPBEYZXVJCFQ-SECBINFHSA-N 268.386 1.913 0 50 CDAA C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](C)C1CC1)C1CC1 518754895 QRNBYOZJOFZJLE-WDMOLILDSA-N 296.411 1.014 0 50 CDAA CCN(Cc1cnn(CC)c1)Cc1nc(C(=O)O)co1 703533377 XUQRYBMCBOKVBS-UHFFFAOYSA-N 278.312 1.611 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)[C@H]2CC2(C)C)C1(C)C 191802572 MDJZEGVSNKMIII-HFAKWTLXSA-N 269.385 1.715 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)n[nH]1 192485330 MVNHRBKRNIYJGF-PHIMTYICSA-N 262.357 1.167 0 50 CDAA COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc1C 1074572955 DCZRTBNCQVFNRC-OUCADQQQSA-N 297.376 1.459 0 50 CDAA CCn1c(NC(=O)[C@H]2CCOC2)nc2cccnc21 562226496 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Cc1ccc(C2(O)CCN(c3ncccn3)CC2)nc1 67674377 PGEBRSZBDJAVJJ-UHFFFAOYSA-N 270.336 1.668 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)N=c1cco[nH]1 328636515 VNFRVXQJXGKZIE-SNVBAGLBSA-N 275.312 1.019 0 50 CDAA CN1CCN(C(=O)[C@H]2CC=CCC2)C[C@@H]1c1ncc[nH]1 328643281 YRZDDYGUSQFDKD-QWHCGFSZSA-N 274.368 1.581 0 50 CDAA C[C@H]1CNC(=O)CCN1Cc1ccc(-c2ccn[nH]2)s1 215927247 UCFAMGCBHFZRCQ-JTQLQIEISA-N 290.392 1.849 0 50 CDAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1cc(F)cc2nc[nH]c12 366931041 CQYZUJLDIKJUPI-UWVGGRQHSA-N 294.305 1.474 0 50 CDAA Cn1ccnc1-c1noc([C@@]2(O)CCc3ccccc3C2)n1 377496163 IZVWKQLJRRPXBF-MRXNPFEDSA-N 296.330 1.847 0 50 CDAA Cc1[nH]nc2ncc(NC(=O)[C@@H]3CCc4nncn4C3)cc12 522057411 BWYNAWAQTSADGP-SECBINFHSA-N 297.322 1.059 0 50 CDAA Cc1ncc2c(c1CNC(=O)[C@@]1(C)CCCO1)CCNC2 72426978 IXFCDJBURUBPGJ-MRXNPFEDSA-N 289.379 1.221 0 50 CDAA CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccnc1 333188812 NPDWBZSXWCPOSL-UMSGYPCISA-N 260.337 1.461 0 50 CDAA CC[C@@]1(O)CCN(C(=O)CCc2scnc2C)C[C@H]1O 77375026 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CC(C)n1cc(C(=O)N2CCC(n3cnnc3)CC2)cn1 77299288 FPGVIOYIIKHPPU-UHFFFAOYSA-N 288.355 1.533 0 50 CDAA Cc1noc2ncnc(N3C[C@H](C)O[C@]4(CCOC4)C3)c12 242324343 ZAGXJYMCMJWZSN-LKFCYVNXSA-N 290.323 1.310 0 50 CDAA Cc1ccc(CCNC(=O)N2C[C@@H](F)C[C@H]2CO)nc1 459203550 TWBRVNUQRQJNAR-AAEUAGOBSA-N 281.331 1.047 0 50 CDAA CCCc1cc(C(=O)N2CCO[C@H](CCOC)C2)n(C)n1 82108022 PUPHIWYLIDGJOE-CYBMUJFWSA-N 295.383 1.250 0 50 CDAA O=C(Cn1ccc(=O)cc1)N1C[C@@H]2CCC[C@H](C2)C1 220654482 NLZKEFDHYHTMJM-CHWSQXEVSA-N 260.337 1.497 0 50 CDAA CC(C)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 178819343 PSMNWBBHYVRCCM-GFCCVEGCSA-N 269.366 1.877 0 50 CDAA C[C@H](O)CN1CCN(c2ncnc3sccc23)C[C@H]1C 264336189 OPNQKVMLBNBMHH-MNOVXSKESA-N 292.408 1.583 0 50 CDAA Cc1cc(NC(=O)Cn2nnc(C)n2)n(-c2ccccc2)n1 48482655 PZXLOPQWNPMESA-UHFFFAOYSA-N 297.322 1.114 0 50 CDAA OC[C@H](O)c1cc2n(n1)CCCN(C1CCCC1)C2 221360141 KFXXMBMZJOWOIB-AWEZNQCLSA-N 265.357 1.057 0 50 CDAA CN1CCCC[C@H]1CC(=O)N1CC(c2ccncc2)C1 426399018 KQKAPHKPNKWFIW-HNNXBMFYSA-N 273.380 1.882 0 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PHFVTGZBDWGPIX-UHFFFAOYSA-N 261.285 1.243 0 50 CDAA CCOC(=O)N1CCN(C(=O)c2ncoc2CC)CC1 97757862 PFDYLGGTFWGHKI-UHFFFAOYSA-N 281.312 1.151 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCN(c3ccccn3)C2)ncn1 535437888 SBRNEVNAKYTEQV-LBPRGKRZSA-N 283.335 1.189 0 50 CDAA COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CNCCO1 237243299 OHOPGQOATITGTK-ZFWWWQNUSA-N 290.363 1.347 0 50 CDAA CCCc1ncncc1C(=O)N1C[C@@H](C)[C@@](C)(O)C1 91780505 IFHZRVOLZFTMHE-YGRLFVJLSA-N 263.341 1.272 0 50 CDAA CO[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2)C1 335204847 OJDNIAIBULIJDU-GFCCVEGCSA-N 273.329 1.376 0 50 CDAA CN(C)CC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 92001687 YADVVGQEKXDVJM-QWHCGFSZSA-N 294.326 1.014 0 50 CDAA COCCCN1CC[C@@H](CNc2cc(C)nc(N)n2)C1 91441412 TUGAMXWRYFILPP-LBPRGKRZSA-N 279.388 1.138 0 50 CDAA CC(C)Cn1cncc1CN(C)Cc1cnccn1 240517189 NWLDHXQGMZRULR-UHFFFAOYSA-N 259.357 1.961 0 50 CDAA CCn1nc(C)c(NC(=O)CN2CCC[C@@H](N)CC2)c1C 244707795 KHRPQTPIPCWRGY-CYBMUJFWSA-N 293.415 1.272 0 50 CDAA C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)NC[C@@H]1CCCCN(C)C1 624207760 PXGYLTIJZICRKH-CBBWQLFWSA-N 297.443 1.831 0 50 CDAA C[C@@H]1CCCC[C@H]1OCCNS(=O)(=O)c1cccnc1 299038289 RNLRYIBFQCVLMZ-TZMCWYRMSA-N 298.408 1.955 0 50 CDAA O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1C[C@H]1C(=O)O 299748340 HAAJLIXPEYNIIH-UONOGXRCSA-N 299.330 1.268 0 50 CDAA CN(CCC(=O)O)C(=O)[C@@H]1SCCc2ccccc21 299750036 MMFQORFYKSYJAD-CYBMUJFWSA-N 279.361 1.950 0 50 CDAA Cc1ccc(CCCC(=O)N2CCOC[C@H]2C(=O)O)cc1 299751502 QTBPJWVNPCLOHB-AWEZNQCLSA-N 291.347 1.630 0 50 CDAA COc1c[nH]c(C(=O)NCc2nc3ccccc3[nH]2)cc1=O 524734287 QHUQHXDBMLEFDP-UHFFFAOYSA-N 298.302 1.190 0 50 CDAA COC1CCC(CNC(=O)N2C[C@H](N)C3(CCC3)C2)CC1 1553460270 PTAMYGCNDHLNHD-RUXDESIVSA-N 295.427 1.714 0 50 CDAA O=C1N[C@H]2CCC[C@@H]1CN(CCCc1cccnc1)C2 252509077 YCCHOJWSIIDPOO-CABCVRRESA-N 273.380 1.615 0 50 CDAA O=C(O)[C@@H](CO)NC1CCN(c2ccccc2Cl)CC1 534670930 QZYSCJDZJNBXNM-GFCCVEGCSA-N 298.770 1.344 0 50 CDAA Cc1ccc(C2(N[C@@H](C)CN(C)CCO)CC2)cc1 534588338 JWQSLEAMAYYIQZ-AWEZNQCLSA-N 262.397 1.886 0 50 CDAA Cc1ccc(CC2(N[C@H](C)CN(C)CCO)CC2)cc1 534659610 QIPPXIDOQKFTKS-OAHLLOKOSA-N 276.424 1.972 0 50 CDAA CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@@H]1C=CCN1 534655256 JIMKMAKFFUITGH-AWEZNQCLSA-N 283.331 1.828 0 50 CDAA CCNC(=O)[C@@H](C)N(C)CCc1c(C)n[nH]c1C 299782983 UMNPSNRZSJGPHD-LLVKDONJSA-N 252.362 1.025 0 50 CDAA Cn1ncc2cc(NC(=O)NCC3CCNCC3)ccc21 299791515 FADQKFSAKBAAQB-UHFFFAOYSA-N 287.367 1.694 0 50 CDAA COCCC(=O)N1CCC(CN)(C(F)(F)F)CC1 725264802 ZYMJIEBNSXCLDK-UHFFFAOYSA-N 268.279 1.153 0 50 CDAA Brc1cncnc1N1CCc2[nH]ncc2C1 269011372 NOROCKZPJXFDNZ-UHFFFAOYSA-N 280.129 1.525 0 50 CDAA O=C(CN1CCCCCC1)N(CCO)Cc1ccccc1 828754078 YKBYFFUPHKNLQU-UHFFFAOYSA-N 290.407 1.884 0 50 CDAA C[C@H](NC(=O)c1ccc2nnnn2c1)C1=CCCCC1 820723388 QTCMSYIMLGNXAX-JTQLQIEISA-N 271.324 1.743 0 50 CDAA Cc1ncc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)c(O)n1 584901201 KABGQTYIJOMCLW-SNVBAGLBSA-N 279.340 1.114 0 50 CDAA Cn1cc(CCNC2CCN(Cc3ccco3)CC2)cn1 584888094 XGXUJDPXAKIYRV-UHFFFAOYSA-N 288.395 1.810 0 50 CDAA CN(Cc1noc(C2CC2)n1)C(=O)CCCn1cccn1 584895398 FZDHDNKSCLKCDB-UHFFFAOYSA-N 289.339 1.582 0 50 CDAA CCc1nccn1CCC(=O)N[C@H]1COc2ccccc2C1 670472852 IQKHAZBOBHEUFW-CQSZACIVSA-N 299.374 1.956 0 50 CDAA Cc1ccc(NCCCNC(=O)c2csc(N)n2)nc1 670439064 YUDFTAHCKQSVLP-UHFFFAOYSA-N 291.380 1.661 0 50 CDAA Cc1noc(C)c1CC(=O)NCc1cncn1C1CC1 670437130 OPSRFEXLBSJHKJ-UHFFFAOYSA-N 274.324 1.682 0 50 CDAA COc1c(C)cc(N2C[C@H](C(=O)O)CC2=O)cc1C 65507681 IBFPFLWFXPIKOG-SNVBAGLBSA-N 263.293 1.750 0 50 CDAA Cc1nn(CC(F)F)cc1C(=O)N(C)Cc1ccnn1C 1875271680 UZRSSKCZSUNYFN-UHFFFAOYSA-N 297.309 1.462 0 50 CDAA COc1ccc(CN2CCCCC2)cc1OCC(N)=O 1875255774 FVJXXYPNOZZOLF-UHFFFAOYSA-N 278.352 1.545 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@]1(COC)C1CC1 1875367179 WQNIUFZUQQQXEQ-MRXNPFEDSA-N 294.395 1.439 0 50 CDAA O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)[C@@H]1[C@@H]2CCC(F)(F)[C@@H]21 1875305826 JHJLIRAAGKCGTI-HODLBOBJSA-N 299.317 1.893 0 50 CDAA COc1cccc2nc(NC(=O)C3=NO[C@H](C)C3)[nH]c12 1875308962 JWMDCDLECNCBGV-SSDOTTSWSA-N 274.280 1.675 0 50 CDAA CC[C@H](C)Cc1nc(C2(C)COC2)n(CC(C)(C)O)n1 952967920 CQNHZECVMAIQNZ-NSHDSACASA-N 281.400 1.926 0 50 CDAA O=C(NCCNc1cccc(F)n1)OCC1CC1 1775994121 UWFJQRDFWGATSO-UHFFFAOYSA-N 253.277 1.769 0 50 CDAA CN1CCN(C(=O)[C@@H]2NCc3n[nH]cc32)Cc2ccccc21 1775985286 IJCRFUDBVIEKDF-OAHLLOKOSA-N 297.362 1.033 0 50 CDAA C[C@@H]1CCN(S(=O)(=O)Cc2noc(C3CC3)n2)C1 1463249922 HFPPIZPQICRFRI-MRVPVSSYSA-N 271.342 1.119 0 50 CDAA CNc1cc(C)nc(N2C[C@H](C)[C@@](O)(C3CC3)C2)n1 1565530939 FIEMMTNBELNQQO-LKFCYVNXSA-N 262.357 1.424 0 50 CDAA CCC[C@H]1CN(C(=O)c2ncccc2O)C[C@@H]1C(=O)O 1565512555 SRGJZIHKKKDERT-UWVGGRQHSA-N 278.308 1.360 0 50 CDAA CCOC[C@@H]1CCN(C(=O)NCc2c[nH]nc2C)C1 273232797 RRAVELITQLBMOJ-LLVKDONJSA-N 266.345 1.286 0 50 CDAA CN(C[C@@H]1CCCCO1)C(=O)c1c[nH]nc1[C@H]1CCOC1 275586827 SAJBHBOJKFTQMQ-RYUDHWBXSA-N 293.367 1.555 0 50 CDAA CC[C@H](NC(=O)N[C@H]1CCC(=O)N(C)C1)C(C)C 408207964 YRKJACKFGMZAQN-QWRGUYRKSA-N 255.362 1.341 0 50 CDAA Cc1n[nH]nc1C(=O)NC12CC3CC(CC(C3)C1)C2 170090198 CDXFVMNTRXXUNL-UHFFFAOYSA-N 260.341 1.812 0 50 CDAA CCOC(=O)c1ccc(N[C@H]2CCC[C@@H]2O)nc1 170087794 AAPDBPDRRMAJDA-QWRGUYRKSA-N 250.298 1.584 0 50 CDAA CC(=O)C[C@@]1(O)C(=O)Nc2cc(Br)ccc21 170620051 WXWCOSOWICYAGR-NSHDSACASA-N 284.109 1.568 0 50 CDAA CON(C)C(=O)c1ccc(NCc2nccn2C)cc1 170619711 HHAGDINZZVHCCN-UHFFFAOYSA-N 274.324 1.666 0 50 CDAA CCNC(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 170609761 PFLDDVOPFJIWOS-VIFPVBQESA-N 285.369 1.056 0 50 CDAA COc1ccccc1[C@H]1CCCN1C(=O)[C@H]1CNCCO1 187656377 OHOPGQOATITGTK-UKRRQHHQSA-N 290.363 1.347 0 50 CDAA COC(CN1CCSC[C@H]1c1nccs1)OC 189223667 XDVQLRGSADYKNO-VIFPVBQESA-N 274.411 1.852 0 50 CDAA Cc1cnc2cc(C(=O)NC[C@H]3CCN(C4CC4)C3)ccn12 579969393 GZTYHZQYJPRGOA-CYBMUJFWSA-N 298.390 1.857 0 50 CDAA CCc1cccnc1C(=O)N1CCC[C@@H](CC(N)=O)CC1 671545109 PFFQLELIXNUOAH-GFCCVEGCSA-N 289.379 1.762 0 50 CDAA Cc1nc(C2CC2)ccc1C(=O)NCCc1cncn1C 582043696 DIJPUQDSLQTRLE-UHFFFAOYSA-N 284.363 1.973 0 50 CDAA CN(C)c1ccccc1CN(C)C1(CO)CCOCC1 191029050 YSMIMJMHXPUXFR-UHFFFAOYSA-N 278.396 1.726 0 50 CDAA Cn1c(Cl)cnc1CN1CCOC[C@@H]1[C@H]1CCC[C@H]1O 583618826 PRFJCBGVQZHQDD-IJLUTSLNSA-N 299.802 1.435 0 50 CDAA CCc1nn(C)c2[nH]nc(NC(=O)[C@H]3CCCO[C@H]3C)c12 191855415 GREOFCLIWKMFBJ-IUCAKERBSA-N 291.355 1.612 0 50 CDAA Cc1cc(=NC(=O)C(=O)NCCC2=CCCCC2)cc[nH]1 585138057 LLRVVRVXSUPYCP-UHFFFAOYSA-N 287.363 1.757 0 50 CDAA CN(Cc1nnc(O)o1)C[C@]12CCCC[C@H]1CC(=O)O2 585120683 BLAZXHBGWKWCPQ-TVQRCGJNSA-N 281.312 1.083 0 50 CDAA CCn1[nH]c(C)nc1=NC(=O)N[C@@H]1CC12CCCCC2 585119425 HMLPFQQJNVTSEM-LLVKDONJSA-N 277.372 1.873 0 50 CDAA O=C(Nc1cccc2nsnc12)[C@@H]1COCCO1 585128956 RZGLUMHWWNLWQX-VIFPVBQESA-N 265.294 1.045 0 50 CDAA CC(C)(C)NC(=O)CN1CCC(c2ncco2)CC1 585138217 WLBREXUJCRCRPY-UHFFFAOYSA-N 265.357 1.769 0 50 CDAA Cc1ncc(C(=O)N2CC(Cc3ccccc3)C2)c(N)n1 679370360 VHMGFAGZLDGWQO-UHFFFAOYSA-N 282.347 1.682 0 50 CDAA COc1ccc(CCS(=O)(=O)c2nccn2C)cc1 195579495 UGYURCORYDOMNC-UHFFFAOYSA-N 280.349 1.445 0 50 CDAA CC(C)c1nsc(N[C@@H]2C[C@H](C(=O)O)C[C@@H]2O)n1 662899047 WTQMALLYRNDVPI-RNJXMRFFSA-N 271.342 1.298 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1n[nH]c(C)c1Cl 1506408862 MPCREDDZDRINTJ-UHFFFAOYSA-N 267.720 1.675 0 50 CDAA CCN(CCn1cccn1)Cc1nnc(C(C)C)o1 1529110418 NKOGFAFQLBIQGX-UHFFFAOYSA-N 263.345 1.912 0 50 CDAA CN(C)C(=O)c1ccc(N(C)CCc2ccccn2)nn1 1857678634 ISUCEOYKACKQOM-UHFFFAOYSA-N 285.351 1.252 0 50 CDAA O=C1N[C@H]2C[C@@H]1N(Cc1nc3c(s1)CCCC3)C2 1857698013 DJXJWCJZMGCNLK-WPRPVWTQSA-N 263.366 1.095 0 50 CDAA O=C(CNc1ccc(F)cc1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1800409693 JQKCRQCEYPXSDZ-YABSGUDNSA-N 278.327 1.467 0 50 CDAA Nc1ncc2c(n1)[C@@]1(CCCN(Cc3ccncc3)C1)CC2 1704344549 SJZCACCEHSDIKO-KRWDZBQOSA-N 295.390 1.934 0 50 CDAA CC(=O)c1cnc(NCCN2CCCC[C@H]2CO)nc1C 1704335990 RXSDPZRJCWHACB-ZDUSSCGKSA-N 292.383 1.246 0 50 CDAA Cc1ncsc1CN(C)C(=O)N[C@H]1CCCNC1 333835524 NIAATURRQFOWAU-JTQLQIEISA-N 268.386 1.345 0 50 CDAA COC[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 140039441 OHPUCEUCBHBIAW-IUCAKERBSA-N 259.302 1.343 0 50 CDAA in-vitro CCS(=O)(=O)N[C@H](C)c1cc2n(n1)CCCC2 1615057161 FDHQDRPBKBIJEO-SECBINFHSA-N 257.359 1.220 0 50 CDAA C[C@H]1NCCC[C@H]1C(=O)NCc1ccnc(NC2CC2)c1 1615046709 POAZONGUGQWWKE-BXUZGUMPSA-N 288.395 1.660 0 50 CDAA N[C@H]1CC12CC(NC(=O)c1cc(O)nc3c1CCCC3)C2 1615547171 RXVLITGKCCOIFW-TZUZOCNWSA-N 287.363 1.276 0 50 CDAA O=C(C1CCCCCCC1)N1CC(n2cc(CO)nn2)C1 1615614965 LBAUKYDJSAJTNZ-UHFFFAOYSA-N 292.383 1.514 0 50 CDAA C1=C[C@@H]2[C@@H](C1)C[C@H]2NCCc1nnc2ccccn12 216028128 GXMVTAFHYUDMKT-YNEHKIRRSA-N 254.337 1.826 0 50 CDAA CC[C@@]12C[C@H]1CN(c1ccc(CS(C)(=O)=O)cn1)C2 1775983281 JKWNOUMZNMXHIB-JSGCOSHPSA-N 280.393 1.863 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc(C)n1 1775980317 YCTFXBMMFBRLKQ-AWEZNQCLSA-N 299.378 1.765 0 50 CDAA COc1ccc(S(=O)(=O)C[C@@H]2CCCNC2)cc1 11967553 OYPCDATUUUWGKD-LLVKDONJSA-N 269.366 1.469 0 50 CDAA OCCN(Cc1ccccc1)Cc1ncccc1O 19864887 AFLXMTXOVRGNMC-UHFFFAOYSA-N 258.321 1.782 0 50 CDAA Cc1nc[nH]c1-c1nccn1C[C@@H]1CC(=O)N(C)C1 1857731691 XIGVNMQLSRWAAN-SNVBAGLBSA-N 259.313 1.060 0 50 CDAA COC(=O)c1cc(C)sc1NC(=O)/C=C/C(=O)O 2586468 MXCDQRVVPRFQTJ-ONEGZZNKSA-N 269.278 1.422 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 2555046 BQADRZHPZVQGCW-LBPRGKRZSA-N 295.335 1.615 0 50 CDAA in-vitro C[C@@H]1CCCN(C(=O)c2cnc3c(cnn3C)c2O)[C@@H]1C 119282520 UBIQMELPDSUYOO-NXEZZACHSA-N 288.351 1.935 0 50 CDAA CCc1ccnc(C(=O)N(CCOC)[C@@H]2CCOC2)c1 331009464 UXFOAZHAYKEILL-CYBMUJFWSA-N 278.352 1.522 0 50 CDAA O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@H]1CO 125025141 OAZAOJROTBQBTQ-VIFPVBQESA-N 277.349 1.735 0 50 CDAA COc1ccccc1CCN(C)C(=O)[C@@H]1CCC[C@H]1N 237150504 IQELKJCZMLAZAE-ZIAGYGMSSA-N 276.380 1.824 0 50 CDAA O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C(F)F 241897266 TXCZLRLJWWWGPR-STQMWFEESA-N 298.333 1.251 0 50 CDAA CO[C@](C)(C(=O)O)C(=O)Nc1n[nH]c2c(Cl)cccc12 663040630 DKBFQIYSNUHJLP-LBPRGKRZSA-N 297.698 1.645 0 50 CDAA C[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)ncn2)C1 257365227 SKYZLBQLIQXLEK-NEPJUHHUSA-N 262.357 1.284 0 50 CDAA Cn1nccc1NC(=O)N[C@H](CO)Cc1ccccc1 157633464 GFMULMSHUWHBDV-LBPRGKRZSA-N 274.324 1.145 0 50 CDAA CO[C@]1(CO)CCCN(C(=O)c2cc(C)sn2)C1 585113607 PPHBDMULJIKUFX-GFCCVEGCSA-N 270.354 1.065 0 50 CDAA Cc1ccccc1[C@H]1CCN(C(=O)c2nccnc2N)C1 263724470 SJUBENOXAAQRNJ-LBPRGKRZSA-N 282.347 1.997 0 50 CDAA CC[C@H](COC)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 265793861 MJHFDUXDUXNNFQ-KWCYVHTRSA-N 278.352 1.369 0 50 CDAA COCCNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8049558 YTXJRFGXZSAASM-LBPRGKRZSA-N 251.326 1.833 0 50 CDAA CN(C)C[C@H](CO)NC(=O)c1ccccc1-c1ccncc1 908201784 RHEVNNHIFUFFBB-CQSZACIVSA-N 299.374 1.401 0 50 CDAA CC(C)Oc1c[nH]ccc1=NC(=O)N1CCOCC[C@H]1C 934645444 RLEHZFZAFXRBIX-GFCCVEGCSA-N 293.367 1.933 0 50 CDAA O=C(c1ccncc1F)N1CCC[C@H](C2(O)CC2)C1 1772804667 COECFYZYFLHGFM-JTQLQIEISA-N 264.300 1.598 0 50 CDAA Cc1cc(N[C@@H]2CCCN(CCF)C2)nc(C)n1 849478440 UQRLYXOYUKHPOD-GFCCVEGCSA-N 252.337 1.939 0 50 CDAA CC(C)n1cc(NC(=O)[C@](C)(O)C2CCC2)cn1 1144006689 ROFWYDSASBEMNH-CYBMUJFWSA-N 251.330 1.954 0 50 CDAA CN1CCC[C@@H](CCNC(=O)c2ccc(F)c(O)c2)C1 219314109 RQILGPGXGWIJJD-NSHDSACASA-N 280.343 1.993 0 50 CDAA COCCNC(=O)COc1ccc(Cl)cc1C 2974891 WCZKZRAYZIIYGU-UHFFFAOYSA-N 257.717 1.790 0 50 CDAA Cc1cc(NC(=O)CSc2nccc(O)n2)no1 5687199 JBWSQKYZSWRSDB-UHFFFAOYSA-N 266.282 1.209 0 50 CDAA CC(C)(C)OC(=O)NCC1=CN2CCCN=C2N1 211726012 GXFDBVQJWFUEIJ-UHFFFAOYSA-N 252.318 1.017 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2ncccc2O)C1 584887545 SLODDDMVJLMTBU-NSHDSACASA-N 264.325 1.676 0 50 CDAA COc1ccc(-c2n[nH]c(N3CCOCC3)n2)cc1C 2100482909 GCXIXENIFDQZEY-UHFFFAOYSA-N 274.324 1.625 0 50 CDAA CC(C)(C)c1cc(=NC(=O)c2cnc3cccnn23)[nH]o1 2100542661 CSIANCHBOKXJFY-UHFFFAOYSA-N 285.307 1.689 0 50 CDAA Cc1ccc(NC(=O)CCc2c(C)ncnc2O)c(O)n1 2325734258 LVZKMAJCGNHRJD-UHFFFAOYSA-N 288.307 1.471 0 50 CDAA C[C@H]1C[C@@H]1CN(C)c1nn2c(=O)ccnc2s1 2325789821 PQLLLBGLYZIHPP-JGVFFNPUSA-N 250.327 1.243 0 50 CDAA COCC1(C(=O)N2Cc3ccccc3OC[C@@H]2C)COC1 2325814924 AELKOZBSVCIZBI-LBPRGKRZSA-N 291.347 1.459 0 50 CDAA Cn1ccc2ccc(C(=O)OCCc3nn[nH]n3)cc21 2325821740 ZSZUADQHVSFPIF-UHFFFAOYSA-N 271.280 1.091 0 50 CDAA O=C(c1ccccc1)N1CCN(C(=O)c2ccncc2)CC1 181887 FGADPEWNLZSMMO-UHFFFAOYSA-N 295.342 1.680 0 50 CDAA COc1cccc(N2CCN(c3ncccn3)CC2)c1 433034 RLWIDVQWKHKMON-UHFFFAOYSA-N 270.336 1.812 0 50 CDAA Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 3884050 MMRVFMRIJLTGHP-UHFFFAOYSA-N 282.347 1.626 0 50 CDAA O=C(c1cccn2cnnc12)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356170116 VOBMSBRSGUMEQP-GDNZZTSVSA-N 286.335 1.247 0 50 CDAA CC(=O)c1cccc(N2C(=O)c3nccnc3C2=O)c1 4961054 OTBLPQXIXJULFD-UHFFFAOYSA-N 267.244 1.480 0 50 CDAA Cc1nc(C(=O)NCCCN2CCC[C@H](CO)C2)cs1 20232520 QCMFRIMIEWEPNT-LBPRGKRZSA-N 297.424 1.276 0 50 CDAA Cn1cc(C(=O)NCCOCc2ccccc2)ccc1=O 177067895 SYOCEYDNIZFJKK-UHFFFAOYSA-N 286.331 1.332 0 50 CDAA CN(CC(=O)O)CC(=O)N1CCC[C@H]2CCCC[C@H]21 227189930 SJJOVPIODNDVBY-VXGBXAGGSA-N 268.357 1.184 0 50 CDAA Cc1nnc(CNC(=O)CCCOCc2ccccc2)o1 50586135 AVZIVRYDUJMLJT-UHFFFAOYSA-N 289.335 1.991 0 50 CDAA Cc1[nH]c(C(=O)NCCc2c[nH]cn2)c(C)c1C(=O)O 102533492 CUOUXUFSOCYZIY-UHFFFAOYSA-N 276.296 1.025 0 50 CDAA COCCOCC(=O)NCc1ccc2c(c1)OCCCO2 66549791 CRPMBHHBGNEPNZ-UHFFFAOYSA-N 295.335 1.127 0 50 CDAA CCCN1CCC(Cc2noc([C@H]3CCNC3)n2)CC1 67805550 ATJPBOYDYQJJNT-ZDUSSCGKSA-N 278.400 1.811 0 50 CDAA CN1CC[C@H](NC(=O)C(F)F)[C@H]1c1ccccc1 248823177 YTLVKVDVNPNSIH-WDEREUQCSA-N 254.280 1.813 0 50 CDAA Cc1cc(C)n(C[C@H](C)Nc2ncnc3c2CCNC3)n1 67804291 XMVWBYRSJRTATP-NSHDSACASA-N 286.383 1.436 0 50 CDAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)C1(C(N)=O)CC1 65434309 SZGWBBLINRLXKS-SECBINFHSA-N 276.340 1.367 0 50 CDAA Cc1cccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)c1 20728491 FOOUCLAISMEYLA-SNVBAGLBSA-N 271.280 1.109 0 50 CDAA c1cc(CCCNc2cc(N3CCOCC3)ncn2)ccn1 65421934 RHMJQBCJUITEFY-UHFFFAOYSA-N 299.378 1.753 0 50 CDAA Cc1nc(CNC(=O)c2cccc3nccnc23)n(C)c1C 20998976 HGFVJNAYFDBOHE-UHFFFAOYSA-N 295.346 1.910 0 50 CDAA CN1CCC[C@H](c2n[nH]c(=O)n2CCc2ccccc2)C1 65461786 XJYLUROHRDARMD-AWEZNQCLSA-N 286.379 1.623 0 50 CDAA CC(C)[C@@H](C(N)=O)n1cc(CCc2ccccc2)nn1 67756593 JSGHWNNZDNPKKL-AWEZNQCLSA-N 272.352 1.746 0 50 CDAA CCN1C[C@@H](Cn2cnc3c(C)c(C)ccc3c2=O)CC1=O 32550933 USULYAKAPIQCHE-ZDUSSCGKSA-N 299.374 1.882 0 50 CDAA CS(=O)(=O)Nc1cc2c(cc1C(=O)O)CCCC2 282167136 HPQONRXHERTQNF-UHFFFAOYSA-N 269.322 1.635 0 50 CDAA COCCN1CCCN(C(=O)N(C)C2CCCC2)CC1=O 253397787 AUMWNGAAIKOAGP-UHFFFAOYSA-N 297.399 1.162 0 50 CDAA CCN1CCCN(C(=O)NCCC(C)(F)F)CC1=O 332029866 RVGRQNAIPNJLBO-UHFFFAOYSA-N 277.315 1.296 0 50 CDAA COc1ccc(-c2ccc(-c3nccn3C)nn2)cn1 215809324 ZKFCYGUGAVBECD-UHFFFAOYSA-N 267.292 1.948 0 50 CDAA CCC1(c2noc(CN(C)S(C)(=O)=O)n2)CCCC1 332397254 JGCKQVUMRGVBIS-UHFFFAOYSA-N 287.385 1.683 0 50 CDAA COc1c(F)cc(CNC[C@@]2(O)CCCNC2)cc1F 72432953 KFRUWTJHOUQHMQ-CQSZACIVSA-N 286.322 1.178 0 50 CDAA CCN(CCC(=O)O)C(=O)CC[C@@H]1CC[C@@H](C)O1 237021294 IJRKRACJSMRQAY-MNOVXSKESA-N 257.330 1.657 0 50 CDAA COCc1nnc(C(=O)N(C)CCCc2ccccc2)o1 71759960 FVBUMXZGDOBUJF-UHFFFAOYSA-N 289.335 1.921 0 50 CDAA Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2)c(F)cc1F 237790796 NEXLZURWDRHLCT-SECBINFHSA-N 290.335 1.304 0 50 CDAA CC[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@]2(CCOC2)O1 376114295 NEFLCXZECWXSPY-ABAIWWIYSA-N 288.351 1.732 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 238077321 HVHXEUNBSGKMHC-VIFPVBQESA-N 263.297 1.224 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1c1ncc(Cl)cc1Cl 284558958 MCLOKSFSVFUFKQ-SVRRBLITSA-N 278.114 1.791 0 50 CDAA CN1CCO[C@H](C(=O)N2CC(c3ccc(Cl)cc3)C2)C1 335150303 CHXSVKKVEZYCCL-AWEZNQCLSA-N 294.782 1.596 0 50 CDAA O=C1CCCN1CC[C@@H]1CCCCN1Cc1ncc[nH]1 77436364 CZIIJGLPXQDASQ-ZDUSSCGKSA-N 276.384 1.777 0 50 CDAA COC[C@H](NS(=O)(=O)c1cccnc1)c1ccco1 175359541 FNVVGVMTXBEKOO-NSHDSACASA-N 282.321 1.341 0 50 CDAA CCCN(CC(=O)O)C(=O)Cc1c(CC)nn(C)c1CC 263377096 BAGNHPDWCUGVIL-UHFFFAOYSA-N 295.383 1.411 0 50 CDAA COc1cc(OC)nc(N[C@@H]2COc3ccccc3C2)n1 328101159 HHDSKMMXOHOLHP-NSHDSACASA-N 287.319 1.909 0 50 CDAA CO[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1Cl)C(=O)O 263535687 OMWHPGKZSASFQR-CABZTGNLSA-N 299.754 1.734 0 50 CDAA Cc1ccc2sc(CN(CCO)C[C@@H](C)O)nc2c1 528507549 WWOPSPYKYHTLJA-LLVKDONJSA-N 280.393 1.780 0 50 CDAA CCNC(=O)[C@H]1CCN(C(=O)c2ccc(CC)[nH]2)C1 220277799 GFOKLMLJQJHHTQ-JTQLQIEISA-N 263.341 1.175 0 50 CDAA O=C(c1ncc2c(F)cccn12)N1CCO[C@@H](C2CC2)C1 529072327 ZLBQXGHWSOXQIZ-CYBMUJFWSA-N 289.310 1.724 0 50 CDAA O=C(NCCc1cnccn1)c1ccc2c(c1)OCO2 221433459 UKDVTJKSAKNYMT-UHFFFAOYSA-N 271.276 1.178 0 50 CDAA Cc1cc(CC(=O)N(C)C2CCSCC2)on1 223301715 YAMXFBUHLYMQKE-UHFFFAOYSA-N 254.355 1.880 0 50 CDAA Cn1ccnc1-c1ccc(C(=O)NCC(C)(C)CO)cc1 426378214 PNRYUYOYEDJURN-UHFFFAOYSA-N 287.363 1.835 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCC(Oc2ncccn2)CC1 426597405 LWIPZHWQZLODIQ-LBPRGKRZSA-N 291.351 1.273 0 50 CDAA Cc1n[nH]c(C(=O)N2CC[C@](CO)(c3ccccc3)C2)c1C 291166301 JNVDEZHXLRDFAH-KRWDZBQOSA-N 299.374 1.803 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cncc(F)c1 332112940 AKIXZQSHSQIGCB-KPXOXKRLSA-N 252.289 1.823 0 50 CDAA CCOc1ccc(CN2CC[C@@]3(CCCNC3=O)C2)cn1 91691680 NTIDJOCOINYFCV-INIZCTEOSA-N 289.379 1.582 0 50 CDAA CCCCCN(C)C(=O)Cn1cccc(OC)c1=O 95507372 JPNPNVAUXPAJLZ-UHFFFAOYSA-N 266.341 1.506 0 50 CDAA Cc1ccc(-c2cc(C(=O)N3CC[C@@H]3C(=O)O)[nH]n2)cc1 95508003 GLLUYNIVEFUGJY-CYBMUJFWSA-N 285.303 1.684 0 50 CDAA CC1(C)CN(CCN2CCCC2=O)CC[C@]1(C)O 91663352 JHONNGJWJIGRNI-AWEZNQCLSA-N 254.374 1.092 0 50 CDAA CCO[C@H]1C[C@@H](O)C12CCN(c1nc(CO)cs1)CC2 91693771 OELOTSOUYJXCSJ-NEPJUHHUSA-N 298.408 1.392 0 50 CDAA Cc1ncsc1CCC(=O)NC[C@H](O)c1ccco1 97797683 SQZPKLNOSCHIGF-JTQLQIEISA-N 280.349 1.827 0 50 CDAA Cc1cc(C)c(CC(=O)N(C)Cc2nnc[nH]2)c(C)c1 180214269 MDEKTAOMJQEXNJ-UHFFFAOYSA-N 272.352 1.931 0 50 CDAA O=C(O)CN(C(=O)/C=C/c1ccco1)C1CCOCC1 238106893 ZXPOWDJZNCMZLC-ONEGZZNKSA-N 279.292 1.385 0 50 CDAA N=C(O)CC(=O)N1CCC(Cc2cccnc2)CC1 330651818 YGNFHZGEEFWMJA-UHFFFAOYSA-N 261.325 1.788 0 50 CDAA CC(C)(C)OC(=O)NC1CCC2(CC1)NC(=O)NC2=O 231389791 XIKKUPHZTQJBCX-UHFFFAOYSA-N 283.328 1.032 0 50 CDAA NC(=O)c1cncc(-c2cccc3cnccc23)n1 97698638 KBDMBFDYWIAKMB-UHFFFAOYSA-N 250.261 1.791 0 50 CDAA COCC[C@]1(CO)CCCN(Cc2noc(C3CC3)n2)C1 91587272 GSONBQFPSFBJLQ-OAHLLOKOSA-N 295.383 1.558 0 50 CDAA CN(C)c1ccc(-c2nc([C@@H]3CCOC3)no2)cn1 96180006 LWLFFHACCYTJJT-SNVBAGLBSA-N 260.297 1.702 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)[C@@H](O)c2ccc(F)cc2)CC1 244633539 GERUNUFGNGDAFX-IHRRRGAJSA-N 281.327 1.933 0 50 CDAA COc1ncncc1NC(=O)N1CC[C@H](O)CC(C)(C)C1 296781805 ZWPURIXUOCQTNV-JTQLQIEISA-N 294.355 1.500 0 50 CDAA C[C@H]1CN(C(=O)CN2CCC[C@H]2c2ccc[nH]2)C[C@@H](C)O1 257365155 JYPSGYZOLPBPHL-GUTXKFCHSA-N 291.395 1.787 0 50 CDAA CCCCOc1ccccc1[C@@H]1NC(=O)[C@@H]2COCCN21 163406526 QLJZNYYUFSQONX-DZGCQCFKSA-N 290.363 1.695 0 50 CDAA CC(C)(C)[C@H](N)C(=O)NCCn1cc(Cl)cn1 299759705 QSMFCUPHVQNNJN-SECBINFHSA-N 258.753 1.026 0 50 CDAA CCn1ncc(CNC(=O)N2CC[C@@H](N(C)C)C2)c1C 534658888 JHYBRVUGRWOGLP-CYBMUJFWSA-N 279.388 1.057 0 50 CDAA CC(C)C1(NC(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 534642248 NMLBVIUBJVDNGR-SECBINFHSA-N 270.398 1.301 0 50 CDAA N[C@@H](CC(=O)NCc1ccccn1)c1ccc(F)cc1 299803846 HEWCNLMOBFXOCD-AWEZNQCLSA-N 273.311 1.927 0 50 CDAA COCCN1C[C@H](Cc2cnc(N)c(C)c2)CC1=O 299791714 GICRBDKLPGCQOJ-GFCCVEGCSA-N 263.341 1.010 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)c1[nH]c(C)c(C(=O)O)c1C 299778174 PUNONMGVNYPJSH-LLVKDONJSA-N 293.367 1.544 0 50 CDAA CC[C@H](NS(=O)(=O)N1CCCC1)c1ccc(C)cn1 822656308 ISUUMOYFJJWBEK-LBPRGKRZSA-N 283.397 1.771 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)co1 864384505 KUPPQUOJPKMCPH-VIFPVBQESA-N 260.297 1.523 0 50 CDAA CCc1noc(CCN[C@@H](C)CC(C)(C)OC)n1 670452913 MQYUOZNHYJXZTO-JTQLQIEISA-N 255.362 1.968 0 50 CDAA COc1ccc2nc(CN[C@@H](C)CS(C)(=O)=O)[nH]c2c1 584903869 NWEOFILGEGTEAP-VIFPVBQESA-N 297.380 1.094 0 50 CDAA CCCc1cc(Cn2cnc3ncccc3c2=O)on1 584884570 VYOKXNGOVHNUEW-UHFFFAOYSA-N 270.292 1.780 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1cccc(O)n1 584897021 UODUYJXXLVKBAZ-ZETCQYMHSA-N 260.297 1.618 0 50 CDAA CCCCC(=O)N1C[C@H](NC(=O)c2ocnc2C)C[C@H]1C 1370848853 IITYWSWHNPQKGR-ZYHUDNBSSA-N 293.367 1.892 0 50 CDAA CN(Cc1ccc(OCC(N)=O)cc1)C[C@H]1CCOC1 670437503 ORRDTFWGELZUCI-CYBMUJFWSA-N 278.352 1.019 0 50 CDAA CN(Cc1ccc(F)cc1)C(=O)[C@@H]1NCc2ncncc21 1553370207 RKQULGYRMFRXLS-CQSZACIVSA-N 286.310 1.419 0 50 CDAA C[C@H]1CNC[C@@H](c2ccc(NS(C)(=O)=O)cc2)C1 757214591 UDJLLEPNTOVNCJ-PWSUYJOCSA-N 268.382 1.771 0 50 CDAA CN(C[C@H]1CCCCO1)C(=O)c1ccncc1F 67982393 AOBYCFFUMXSQAT-SNVBAGLBSA-N 252.289 1.862 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1 1875273451 YPOILDFPNTYKGJ-XDSYMSCESA-N 291.347 1.305 0 50 CDAA O=C(c1ccc([C@@H]2CCOC2)cc1)N1CC(CO)C1 1875283013 BDRGQJCGNSKDJH-CQSZACIVSA-N 261.321 1.255 0 50 CDAA COc1ncc(NCc2csnc2C)cc1C(N)=O 1875281349 KUYDOGVRKZQMQS-UHFFFAOYSA-N 278.337 1.566 0 50 CDAA Cc1noc(C)c1CNS(=O)(=O)C[C@@H]1C[C@H]1C(F)F 1875289660 HUGLONVBSHPYPM-DTWKUNHWSA-N 294.323 1.612 0 50 CDAA CN(CC1=CCCOC1)C(=O)NC[C@H]1NCCCC1(C)C 952852446 WHAFCIQZOCZVRT-CQSZACIVSA-N 295.427 1.753 0 50 CDAA COC[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)c1nn[nH]n1 952992859 DHANXXJXXQVKEM-MXWKQRLJSA-N 281.360 1.220 0 50 CDAA 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YBSUDXBYEAMLAU-JTQLQIEISA-N 252.701 1.866 0 50 CDAA Cc1cc(C(=O)N2CC[C@](O)(c3ccccc3)C2)no1 20908372 DGDVJRRPIWSPKO-OAHLLOKOSA-N 272.304 1.717 0 50 CDAA c1ccc2c(c1)CC[C@@H](NCCCN1CCOCC1)C2 23283147 PJSGTWUZEKFVHJ-QGZVFWFLSA-N 274.408 1.856 0 50 CDAA CC1(C)CCCN1C(=O)NCC1(C(=O)O)CCOCC1 166155299 YWEQIGHMUMVCRV-UHFFFAOYSA-N 284.356 1.452 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)[C@H]2CCCOC2)cn1 192992968 FLVFKTFITIMUQO-VIFPVBQESA-N 281.312 1.068 0 50 CDAA CC1CCN(S(=O)(=O)NCCC2(O)CCCC2)CC1 404233380 QWGCSCUWTDMUBB-UHFFFAOYSA-N 290.429 1.248 0 50 CDAA COC(=O)c1cnc(N(C[C@@H]2CCOC2)C2CC2)cn1 603341951 GPUPCUZLSGIMPR-JTQLQIEISA-N 277.324 1.269 0 50 CDAA COc1ccccc1Cc1nc(O)c2c(n1)CNCC2 82166802 WNJKLCBDJYDBLV-UHFFFAOYSA-N 271.320 1.427 0 50 CDAA NCC[C@H]1CN(Cc2cnccc2Cl)CCO1 426711313 LMPBDVDEPLOTCZ-NSHDSACASA-N 255.749 1.285 0 50 CDAA O=C(O)c1cc(N2CCC[C@H](n3ccnc3)C2)ncn1 871593148 ABPRTXQFMHOAGI-JTQLQIEISA-N 273.296 1.213 0 50 CDAA COC(=O)c1ccc(-n2nnnc2SC)cc1 107917 JYBFJNSGWNAALY-UHFFFAOYSA-N 250.283 1.171 0 50 CDAA Cc1cccnc1CC(=O)N=c1cnn(C(C)C)[nH]1 2100556942 LBLXXAACOVUCAR-UHFFFAOYSA-N 259.313 1.166 0 50 CDAA CN1C[C@@H](CNC(=O)Nc2nc(C3CC3)cs2)OC1=O 2325758376 LYNXYEIVJDDDHS-MRVPVSSYSA-N 296.352 1.593 0 50 CDAA Cc1nc(CCN)sc1C(=O)N(C)Cc1ccco1 2325786572 YLXHUHQDHZIPGF-UHFFFAOYSA-N 279.365 1.818 0 50 CDAA COc1ccc(C(=O)c2cn([C@@H](C)C(=O)O)nn2)cc1 2325869982 DYUAQCKLTVBHCE-QMMMGPOBSA-N 275.264 1.163 0 50 CDAA O=C(O)C[C@H](NC(=O)Cn1cc(Cl)cn1)C1CCCC1 910561412 ZNPRBNFFJADGAK-NSHDSACASA-N 299.758 1.686 0 50 CDAA O=C(Nc1ccc2snnc2c1)N1CCOCC1 95053 ICFKAJPPVVHASJ-UHFFFAOYSA-N 264.310 1.555 0 50 CDAA COc1cc(NC2=CC(=O)OC2)cc(OC)c1OC 406065 OSOPFZZQZDSNBP-UHFFFAOYSA-N 265.265 1.565 0 50 CDAA Cn1nnnc1SCC(=O)Nc1ccccc1Cl 421102 ZFIJLLMJRLHJPU-UHFFFAOYSA-N 283.744 1.594 0 50 CDAA CCOc1cc(C=O)ccc1OCC(=O)N1CCCC1 1075725 MUYOKPGMWNZAEE-UHFFFAOYSA-N 277.320 1.899 0 50 CDAA CCOC(=O)C(=O)[C@@H](Cc1ccccc1)C(=O)OCC 1603935 SSGDRYRTMRREKG-GFCCVEGCSA-N 278.304 1.541 0 50 CDAA COC(=O)c1coc(CN2[C@H]3CC[C@@H]2C[C@@H](CO)C3)n1 2356151659 SKPWFWDCXVWRGU-RTCCRHLQSA-N 280.324 1.197 0 50 CDAA NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 3399034 JBJSDZAIGWLMJA-UHFFFAOYSA-N 280.283 1.582 0 50 CDAA COc1ccc(CN2CCC[C@@]23CCCN(C)C3=O)cn1 2356165621 LMLKELJIJKAYOE-MRXNPFEDSA-N 289.379 1.677 0 50 CDAA COc1ccccc1OCc1nnc(S)n1C 6557181 SBGRAYYWWNRBSB-UHFFFAOYSA-N 251.311 1.691 0 50 CDAA CO[C@@H]1CC[C@@H]2OCCN(C[C@@H]3CCCCO3)[C@H]2C1 246596536 MPHNQPNMJZTTOF-QPSCCSFWSA-N 269.385 1.824 0 50 CDAA CN(Cc1ccn[nH]1)C(=O)CCC(=O)NC1CCCC1 55107847 UPAPZHLLVVGTQW-UHFFFAOYSA-N 278.356 1.207 0 50 CDAA O=C(NCc1cccnc1)Nc1nc2c(s1)COCC2 172264321 IIYIZRVCUDYQHO-UHFFFAOYSA-N 290.348 1.933 0 50 CDAA COc1cc(C(=S)N(C)C)cc(OC)c1OC 9188227 GKIZBCNLWQVYIW-UHFFFAOYSA-N 255.339 1.950 0 50 CDAA C[C@]1(C(=O)O)C[C@@](C)(C(=O)O)C[C@@](C)(C(=O)O)C1 100054480 AZWHPGZNOIYGFB-ZSBIGDGJSA-N 258.270 1.443 0 50 CDAA biogenic Cc1ccnc(C[C@@H](C)N(C)C(=O)c2csnn2)c1 55088949 WOSFJFHHXJCTJH-SNVBAGLBSA-N 276.365 1.945 0 50 CDAA COc1ccc([C@@H](NC(=O)c2c[nH]cc2C)C(=O)O)cc1 346019428 SCKFJIPJKIINSI-CYBMUJFWSA-N 288.303 1.887 0 50 CDAA O=C1CN(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccccc1 101164383 FFBIEQYGWLQSSR-HNNXBMFYSA-N 294.310 1.857 0 50 CDAA O=C(CCc1ccoc1)N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12 923197222 JZJXANXSUWBFBS-KXNHARMFSA-N 263.293 1.438 0 50 CDAA CC[C@]1(CO)CCCN(c2cc(OC(C)C)nc(N)n2)C1 65463424 UQBDGSUXQLNOIM-HNNXBMFYSA-N 294.399 1.835 0 50 CDAA CCCC[C@H](C(N)=O)N1CC[C@@H](Oc2ccccn2)C1 229891017 HWAUFOAKFAUXJD-CHWSQXEVSA-N 277.368 1.579 0 50 CDAA N[C@H](CNC(=O)c1cccc2[nH]ncc12)c1ccccc1 429114375 LYJOZGJDJPHVTK-CQSZACIVSA-N 280.331 1.993 0 50 CDAA CO[C@@H]1CCN(C(=O)[C@@H](C)OCC(F)(F)F)[C@H](C)C1 252527707 DENGRJUKZDGAKN-OPRDCNLKSA-N 283.290 1.980 0 50 CDAA CN(C)C[C@@H]1COCCN(Cc2cc(C(C)(C)C)[nH]n2)C1 72144599 BXGDHFFOESMHPS-ZDUSSCGKSA-N 294.443 1.717 0 50 CDAA COc1ncccc1CN1CC[C@H](c2nc(C)no2)C1 332086124 RBZYTJLERVGRGW-LBPRGKRZSA-N 274.324 1.771 0 50 CDAA CCCS(=O)(=O)NC(=O)[C@@H]1CSc2ccccc21 123034925 LVNWVJKAAFXEAP-SNVBAGLBSA-N 285.390 1.732 0 50 CDAA O=C1CC[C@H](NCc2ccc3cn[nH]c3c2)C2(CCC2)N1 282970285 YZSMEJRZVGIEQT-AWEZNQCLSA-N 284.363 1.854 0 50 CDAA CC(=O)N[C@H](COC(C)=O)[C@H](OC(C)=O)c1ccccc1 36432432 XAZHLTMHHNBGPO-HUUCEWRRSA-N 293.319 1.359 0 50 CDAA Cc1cc([C@H]2CCCN2C(=O)NCc2noc(C)n2)on1 331441201 VNEVQIWMKMWFQX-SNVBAGLBSA-N 291.311 1.721 0 50 CDAA O=C(Cn1ccnn1)NCC1(c2ccc(F)cc2F)CC1 153001122 FHSWPTWQZZIHNA-UHFFFAOYSA-N 292.289 1.404 0 50 CDAA COc1ccc(CC(=O)N2CCC[C@@](C)(O)CC2)nc1 366249063 OCFNUFKWXNOAIW-OAHLLOKOSA-N 278.352 1.396 0 50 CDAA O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cc[nH]c1C1CC1 367081000 PYSFRHWVOVFKGM-CYBMUJFWSA-N 289.379 1.485 0 50 CDAA CCOC1CCN(C(=O)[C@@H](N)CCc2ccccc2)CC1 132409370 BGCYOZVHDMRWAI-INIZCTEOSA-N 290.407 1.974 0 50 CDAA Cn1cnnc1SCCNC(=O)CCc1cccs1 215962823 QQBOZBIZIITFFC-UHFFFAOYSA-N 296.421 1.718 0 50 CDAA CC(C)n1cc(CN2CCCC[C@@H]2c2nc(O)n[nH]2)nn1 333742259 WBUUMLKVMLKRIM-LLVKDONJSA-N 291.359 1.410 0 50 CDAA O=C(NC[C@@H]1CCCCC1(F)F)N1CCn2ncnc2C1 334098065 UFYOTXKKWWNVAM-JTQLQIEISA-N 299.325 1.629 0 50 CDAA CC(C)(C)c1ccccc1C(=O)N1CCO[C@H](C(=O)O)C1 132546541 GCSFFPVYORQFAF-ZDUSSCGKSA-N 291.347 1.910 0 50 CDAA N[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)C1CC1 261957889 RCXJQKXXGUVUCT-CYBMUJFWSA-N 271.320 1.809 0 50 CDAA CCCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 35897987 PUAKZOWQSVKQPU-UHFFFAOYSA-N 298.408 1.412 0 50 CDAA O=C(c1cn[nH]c1)N1CCC[C@@H](Cn2ccnc2)C1 215967292 GOMHIUCYJIVAQH-NSHDSACASA-N 259.313 1.159 0 50 CDAA CC(C)N1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1=O 336315122 ZEZFGVKNLNTDFS-VXGBXAGGSA-N 264.369 1.502 0 50 CDAA CNC[C@H]1CCCN(C(=O)Cc2ccc(OC)c(F)c2)C1 158870280 VNOUCBPOAJHHQP-CYBMUJFWSA-N 294.370 1.835 0 50 CDAA O=C(N1CCC2(CCCO2)CC1)C1(Cn2cccn2)CC1 71760090 POXMOSWEERXIES-UHFFFAOYSA-N 289.379 1.835 0 50 CDAA CC[C@@H]1CN(CCCN2CCN(C(C)C)CC2)C[C@H]1O 337313527 HCFBTYSCDLPTLE-HZPDHXFCSA-N 283.460 1.105 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]1C(=O)N(C)C 242164650 WWSGGFQEDVGKMO-RDBSUJKOSA-N 295.427 1.234 0 50 CDAA C[C@@H](C(=O)O)N(C)S(=O)(=O)C[C@H]1CCCCC1(F)F 263210244 OVSSTHFYHXPDTL-DTWKUNHWSA-N 299.339 1.547 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@@H](c2ncnn2C)C(C)C)o1 223057916 LOHCWMIHIOCZHB-GFCCVEGCSA-N 290.323 1.204 0 50 CDAA Cc1cc(C(=O)NCCN2CCC[C@@H](C)C2)n[nH]1 48963391 LQWLFZCZJPNENN-SNVBAGLBSA-N 250.346 1.180 0 50 CDAA CCc1cc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)ccn1 221248118 FSGLKEFZTHEWOK-HNNXBMFYSA-N 289.335 1.311 0 50 CDAA CC(=O)c1cc(CC(=O)NCc2cnc(C)cn2)cs1 97575137 SROPUQWZTCXTQQ-UHFFFAOYSA-N 289.360 1.908 0 50 CDAA O=C(CCc1cc(Cl)no1)NCc1ccc(C(=O)O)o1 426477897 KKQBDHXOOITXLX-UHFFFAOYSA-N 298.682 1.868 0 50 CDAA Cc1noc(C)c1NC(=O)NCc1nnc(N)s1 96180480 FVUURBSBFFAASO-UHFFFAOYSA-N 268.302 1.047 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CC/C=C/c2ccccc2)CCO1 237965108 TWBXBQFVSDASFL-YOIVXCQUSA-N 289.331 1.792 0 50 CDAA CC(C)N1CCC(CC(=O)N[C@H](C)c2ncnn2C)CC1 95516412 BAXRFTCWANHGGP-GFCCVEGCSA-N 293.415 1.503 0 50 CDAA CCC(=O)N1CCC(c2nc([C@@H]3CCOC3)no2)CC1 96163236 ATMHTLVDLFXUSD-LLVKDONJSA-N 279.340 1.690 0 50 CDAA Cc1nc2ncccn2c1C(=O)NCc1ccc(CN)cc1 97394138 BGXPJOMWKARYPQ-UHFFFAOYSA-N 295.346 1.426 0 50 CDAA Cc1cnn(CCCNC(=O)CC[C@@H]2CCCCN2C)c1 95392501 WLHBUCRSVOXLQP-HNNXBMFYSA-N 292.427 1.962 0 50 CDAA COCc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](CO)C2)c1 295697716 JRQFWDGVUIRGAJ-YPMHNXCESA-N 299.392 1.272 0 50 CDAA Cc1nonc1CC(=O)N(C)C[C@H]1Cc2ccccc2O1 244701275 KDGHINSXXOBEEC-GFCCVEGCSA-N 287.319 1.383 0 50 CDAA Cc1cc(CC(=O)N(C)C[C@H]2CCCCO2)on1 244787834 QENAZJDEKPKVEC-LLVKDONJSA-N 252.314 1.553 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 299753771 ZGRWXEDOMIRKJX-GRYCIOLGSA-N 269.341 1.515 0 50 CDAA CC(C)CN(CC(=O)O)Cc1cnn2cccnc12 534588374 QULDSTWVRTXVLK-UHFFFAOYSA-N 262.313 1.272 0 50 CDAA Cc1cn2nc(C(=O)NCc3cccs3)cc2c(O)n1 263617418 NSMNMAAPSZVJBN-UHFFFAOYSA-N 288.332 1.735 0 50 CDAA Cc1cccc(NC(=O)CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1C 534652510 YBTIKLPHGYJPOM-JYAVWHMHSA-N 288.347 1.504 0 50 CDAA CCN1CCCC[C@H]1CNc1nccc(OC)n1 264860843 LWWLTVJMRWSINJ-NSHDSACASA-N 250.346 1.772 0 50 CDAA NCCN=c1[nH]cnc2c1oc1ccc(Cl)cc12 642881819 KJRUCGMCHIDBIF-UHFFFAOYSA-N 262.700 1.822 0 50 CDAA CCC(=O)NCCNC(=O)N[C@@H](C)c1ccc(O)c(F)c1 584885912 UTFPBGPSPNGVHN-VIFPVBQESA-N 297.330 1.418 0 50 CDAA C[C@@H]1C[C@H](NC(=O)[C@H](N)Cc2ccccc2)CN1C1CC1 269266384 PKOMXYJDQCCKOO-IVMMDQJWSA-N 287.407 1.298 0 50 CDAA C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1occc1C(=O)O 871993128 LJKSLAQIDIZRLH-MRVPVSSYSA-N 299.348 1.929 0 50 CDAA CCn1cc(S(=O)(=O)Nc2ncncc2C(C)C)cn1 1875280036 QQEHQAMXERTRAH-UHFFFAOYSA-N 295.368 1.617 0 50 CDAA C[C@@H](OC(=O)[C@@H]1CCCc2c[nH]nc21)C(=O)NC1CC1 1875253763 GKDDRDOTGYVROP-LDYMZIIASA-N 277.324 1.040 0 50 CDAA Cc1nc(C(=O)NCC2(C3CC3)CC2)ccc1-c1nn[nH]n1 1875323836 BCBPRUXSBUJUBV-UHFFFAOYSA-N 298.350 1.490 0 50 CDAA Cn1c(=NCc2ccc3c(n2)CCC3)[nH]c2ccncc21 1875305498 UDKBKBJRGJFXCJ-UHFFFAOYSA-N 279.347 1.886 0 50 CDAA Cc1cnc(CN(CCO)Cc2ccc(F)cc2)[nH]1 952990273 VNNZZQIPVIBCGT-UHFFFAOYSA-N 263.316 1.852 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1cc(F)cc(F)c1 169980761 BSORJYZJCQPBIM-UHFFFAOYSA-N 258.073 1.218 0 50 CDAA Cn1nccc1[C@@H](O)CNC(=O)C1(c2ccccc2)CC1 886258807 KYIUGOATVIKVNR-AWEZNQCLSA-N 285.347 1.302 0 50 CDAA C[C@@H]1NCCN(C(=O)C[C@@H](O)c2cccc(F)c2)[C@@H]1C 888096331 AUXYOANJCDNZNL-MISXGVKJSA-N 280.343 1.458 0 50 CDAA O=S1(=O)CCC(Nc2nc3cccc(F)c3o2)CC1 892806025 CCOPMUIBUMICDX-UHFFFAOYSA-N 284.312 1.956 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)NCCc1ncc[nH]1 134493356 ZCLKBUMSABOOSB-UHFFFAOYSA-N 275.356 1.052 0 50 CDAA CC(C)(C)n1cnc(C(=O)NCCCc2ncc[nH]2)n1 1776005566 GTBXYJTYWOPIPX-UHFFFAOYSA-N 276.344 1.119 0 50 CDAA O=C(N[C@H]1CCN(C2CC2)C1)c1nc[nH]c1C(F)(F)F 1433626475 QCZCAGLBKSFMMA-ZETCQYMHSA-N 288.273 1.395 0 50 CDAA CCCCc1ccc(NC(=O)N[C@@H]2CNCC[C@@H]2O)cc1 1565529086 QLGZAXWNZHQWRZ-CABCVRRESA-N 291.395 1.874 0 50 CDAA Cc1cccc(C)c1NC(=O)N[C@H]1CNCC[C@@H]1O 1565506751 XUJZZWYTEVUXFA-RYUDHWBXSA-N 263.341 1.148 0 50 CDAA O=C(c1ccc2sccc2c1)N1CCOC[C@@H](O)C1 77505107 WENUKXZSIXHMSH-LBPRGKRZSA-N 277.345 1.735 0 50 CDAA Cc1ccc(C2(CNC(=O)Cn3cnnn3)CCC2)cc1C 278798720 SAPDVIMBYXUMRZ-UHFFFAOYSA-N 299.378 1.528 0 50 CDAA COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(OCC(C)C)CC1 170762386 WLYFOWKBPGTXMS-STQMWFEESA-N 283.368 1.459 0 50 CDAA C[C@@H](O)[C@@](C)(CNC(=O)c1cc[nH]n1)Cc1ccccc1 192051938 YVTDAYURAVJICO-MLGOLLRUSA-N 287.363 1.769 0 50 CDAA CC1(C)C[C@H](O)CCN(c2ncnc3n[nH]cc23)C1 649495813 USBMGPFNCOAWPV-SECBINFHSA-N 261.329 1.340 0 50 CDAA COc1cccc([C@H]2C[C@@H](O)CN2Cc2nncn2C)c1 563796865 SXKUASLPMHUDGR-TZMCWYRMSA-N 288.351 1.132 0 50 CDAA CCn1[nH]c(C)nc1=NC(=O)c1cc(C)sn1 583071077 PXPJIEMEABVNPH-UHFFFAOYSA-N 251.315 1.046 0 50 CDAA Cc1cc(C(=O)N[C@H]2C[C@H](N(C)C)C2(C)C)ns1 585130416 PKTBUHZHECDVIO-QWRGUYRKSA-N 267.398 1.910 0 50 CDAA O=C(NCCNC1CSCCSC1)c1cccnc1 1506415623 FECBKDIWNKMPSY-UHFFFAOYSA-N 297.449 1.250 0 50 CDAA COc1ncc(-c2cnc3c(c2)CCN3C)c(OC)n1 1875250952 FYQYHOBAVORTMF-UHFFFAOYSA-N 272.308 1.548 0 50 CDAA C[C@@H]1CC[C@@H](CCC(=O)N2CCC(C(=O)O)CC2)O1 237377410 CLIQXSHXQKGGTE-PWSUYJOCSA-N 269.341 1.657 0 50 CDAA O=C(NC[C@@H](C(F)F)n1cccn1)c1cccnc1 1875295787 QNHOHCKVHMEULG-JTQLQIEISA-N 266.251 1.514 0 50 CDAA CN(CC(=O)O)C(=O)Cc1ccc(F)cc1Cl 153133027 JFEHSOCLTYBYKT-UHFFFAOYSA-N 259.664 1.565 0 50 CDAA CCc1nnc(NC(=O)[C@]2(C(C)C)CNC(=O)C2)s1 1615001740 ARLIMYNHDNPCLQ-LBPRGKRZSA-N 282.369 1.201 0 50 CDAA OCCN1CCC[C@H](Nc2ncnc3c(F)cccc23)C1 1616025681 GJBJYMSFCYQCOF-NSHDSACASA-N 290.342 1.638 0 50 CDAA c1cc(CN2CCN3[C@H](COC[C@H]3C3CC3)C2)ccn1 1616078316 CSAVSAFEJUXBQL-HOTGVXAUSA-N 273.380 1.377 0 50 CDAA CC(C)CN1C(=O)N(C)C2(CCN(C)CC2)C1=O 14748057 FYLVLGJXYPJROG-UHFFFAOYSA-N 253.346 1.001 0 50 CDAA BrC1(Br)[C@@H]2COCOC[C@@H]21 15635721 NQYZHRVVKWUUBC-SYDPRGILSA-N 271.936 1.723 0 50 CDAA OC[C@H]1CCCN(c2ncc(Br)cn2)C1 16678732 OXGIOCSHKYSFOC-QMMMGPOBSA-N 272.146 1.448 0 50 CDAA Cc1cc(C)c(C(=O)N(C)Cc2ccon2)c(=O)[nH]1 19781698 IMJXTZAZCVOHMQ-UHFFFAOYSA-N 261.281 1.252 0 50 CDAA C[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1cnnn1 1857525735 JMYZGYRGSWMRBJ-SNVBAGLBSA-N 284.323 1.074 0 50 CDAA CN1CC2(C1)CN(Cc1ccccc1Cn1cccn1)C2 1857677006 OYNPRLAHHGFDSH-UHFFFAOYSA-N 282.391 1.679 0 50 CDAA Cc1ccc(C)c(-n2nc(C)nc2[C@H]2C[C@H](N)[C@@H](O)C2)c1 1857718801 UGVPZSRQWWPKTB-YDHLFZDLSA-N 286.379 1.758 0 50 CDAA CCC[C@]1(CO)CCN(c2ccnc3[nH]ncc23)C[C@H]1O 1875240293 PTQSNQHDIOZSCI-UKRRQHHQSA-N 290.367 1.308 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 238176279 QKDAXBLCDVHULR-VIFPVBQESA-N 283.711 1.482 0 50 CDAA Cc1n[nH]cc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 335209578 DFHBDEBUZJRANZ-LLVKDONJSA-N 278.356 1.047 0 50 CDAA COCc1nc([C@H]2CCCCN2c2ncccn2)n[nH]1 347614469 GLFXUTVSEUFYDC-SNVBAGLBSA-N 274.328 1.473 0 50 CDAA O=C1C[C@H](C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CN1 135192580 GOYFVYKNJINREB-OLZOCXBDSA-N 290.338 1.353 0 50 CDAA O=C(O)c1ccc(N2CCCc3n[nH]cc3C2)nc1 900991638 ZWGSIMBRJHYSCT-UHFFFAOYSA-N 258.281 1.456 0 50 CDAA COCCCNC(=O)[C@H](C)Oc1ccccc1C 20418947 AKUZYHAKIMXTJW-LBPRGKRZSA-N 251.326 1.915 0 50 CDAA C[C@@H]1CN(Cc2nc(-c3ccccc3)no2)CCN1C 20599402 ZHYSNQYKCRCNCG-GFCCVEGCSA-N 272.352 1.873 0 50 CDAA CC(C)S(=O)(=O)CCCn1cc(Br)cn1 122982418 SFJOTQDBARIXSC-UHFFFAOYSA-N 295.202 1.859 0 50 CDAA COc1ccccc1NC(=O)NC[C@H]1CCCO1 6731519 QTNJHXHXABGFOI-SNVBAGLBSA-N 250.298 1.996 0 50 CDAA CC(C)C[C@H](CNC(=O)c1cc[nH]c(=O)c1)CC(=O)O 232603106 FIIGSOIZSHPINC-JTQLQIEISA-N 280.324 1.242 0 50 CDAA Cc1nn(C)c2sc(C(=O)N3CC[C@@H](N)C3)cc12 237860205 SOUJJCALHZEUMF-MRVPVSSYSA-N 264.354 1.116 0 50 CDAA C[C@]1(NC(=O)c2cccnc2)CCCC[C@H]1C(=O)O 262725817 GKUJFAXNJOAOIR-FZMZJTMJSA-N 262.309 1.845 0 50 CDAA CC(C)NCCCNC(=O)CC[C@H]1CCCCO1 170676862 UQYLGGZHWVQAOU-CYBMUJFWSA-N 256.390 1.840 0 50 CDAA O=C1CC2(CCN(CCc3ccccc3)CC2)CN1 65405930 JGPGSIJRVFHSDT-UHFFFAOYSA-N 258.365 1.831 0 50 CDAA COc1ccc(CCCC(=O)N2CC[C@H](CN)C2)cc1 67514983 GVMOMCUMFNQYAY-CQSZACIVSA-N 276.380 1.825 0 50 CDAA CCc1nc(CN(C)Cc2cn(C)nn2)cs1 534869801 UJSRDEDUQFZVAH-UHFFFAOYSA-N 251.359 1.466 0 50 CDAA CC[C@@]1(O)CCCN(S(=O)(=O)c2cccnc2)C1 632665930 HLHFDKRIGILMQU-GFCCVEGCSA-N 270.354 1.007 0 50 CDAA CO[C@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)C1CC1 668273595 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CIJCADJRFKGSFQ-UHFFFAOYSA-N 271.338 1.188 0 50 CDAA COC(=O)c1ccc(NC(=O)c2cnsn2)cc1 613336 SDSZBLNJIWCKFF-UHFFFAOYSA-N 263.278 1.577 0 50 CDAA Nc1cc(C(=O)NC2CC2)cc(C(=O)NC2CC2)c1 1431466 ZDVCVJCQNLJEFZ-UHFFFAOYSA-N 259.309 1.053 0 50 CDAA Cc1cncc(C(=O)N2CCC[C@]23CCCN(C)C3=O)c1 2356139083 MOWFAMUHUXWESM-INIZCTEOSA-N 287.363 1.617 0 50 CDAA CCCN1Cc2nnc(-c3ccncc3)n2[C@H](C)C1=O 2356155092 WXLKJCWWMJNFEU-SNVBAGLBSA-N 271.324 1.653 0 50 CDAA O=S(=O)(O)CCC[n+]1csc2ccccc21 4831638 NDWOFZGZGLYXIL-UHFFFAOYSA-O 258.344 1.467 0 50 CDAA CSc1ncc(Cl)c(C(=O)NC[C@H]2CCCO2)n1 6697296 SJPCCXAIDDCOLU-SSDOTTSWSA-N 287.772 1.761 0 50 CDAA CCOC(=O)CSc1nnc(-c2ccccc2O)n1C 6703105 HOKDTLSMIKQYJI-UHFFFAOYSA-N 293.348 1.843 0 50 CDAA NC(=O)C1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 7435660 NNUKSIKJPGTIIJ-UHFFFAOYSA-N 297.305 1.101 0 50 CDAA CC(C)c1[nH]ncc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 225475244 REJGDCJQRZTPRG-QWHCGFSZSA-N 292.383 1.078 0 50 CDAA CC(C)(C)c1ccc(N(CC(N)=O)S(C)(=O)=O)cc1 10365834 MNHDTHQAMQHSNF-UHFFFAOYSA-N 284.381 1.235 0 50 CDAA CC1(C)C[C@H](NS(C)(=O)=O)c2ccccc2O1 10544156 DJIGRROWTHEYQC-JTQLQIEISA-N 255.339 1.838 0 50 CDAA NC(=O)[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 114422449 PPUJBEASAUPTPP-LBPRGKRZSA-N 276.336 1.155 0 50 CDAA Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 9164693 LFQWEROXRZSIGT-JTQLQIEISA-N 289.270 1.248 0 50 CDAA C[C@@H](C(=O)O)N(c1ccccc1F)S(C)(=O)=O 20130809 MNWKPASMNZQFEM-ZETCQYMHSA-N 261.274 1.065 0 50 CDAA CCc1ncc(C(=O)N(C)[C@H](C)c2ccon2)cn1 65387610 WWUBNCRMEWWAMU-SECBINFHSA-N 260.297 1.860 0 50 CDAA O=C(Cc1ccccc1)N1CCC(=O)N(CC2CC2)CC1 20867417 GUWHHPUOYGRNKZ-UHFFFAOYSA-N 286.375 1.700 0 50 CDAA CO[C@@H](C)CS(=O)(=O)N1CCCC[C@H]1c1ncc[nH]1 249615786 SSIBXPLEBDNUSA-QWRGUYRKSA-N 287.385 1.301 0 50 CDAA CCOC(=O)[C@@H](Br)C(=O)c1ccncc1 117412532 LKHSXKMANQMRCS-QMMMGPOBSA-N 272.098 1.591 0 50 CDAA O=S1(=O)CCC[C@@H](Cc2nc(Cc3ccon3)no2)C1 349671886 HTFOGIVWKYCUJN-VIFPVBQESA-N 297.336 1.016 0 50 CDAA Cc1ccc(NC(=O)CCNC(=O)[C@@H]2CCOC2)cc1 67805361 MESJXYAPPVIWCC-GFCCVEGCSA-N 276.336 1.476 0 50 CDAA Cc1ccc(F)cc1CC(=O)N[C@@H]1C=CS(=O)(=O)C1 67742440 RFBYFCKRGROKDO-GFCCVEGCSA-N 283.324 1.104 0 50 CDAA CC(C)c1cc(C(=O)N2CCn3cnnc3C2)cc(O)n1 121462844 BEFNCBMKXPOFOM-UHFFFAOYSA-N 287.323 1.158 0 50 CDAA CN1CCC[C@H]1CCNc1nccc(-c2cnn(C)c2)n1 23478179 DDVWZGJVAXGBKP-ZDUSSCGKSA-N 286.383 1.773 0 50 CDAA Cc1cc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)nn1C 122010401 QRSYPDZPGGDUNQ-DGCLKSJQSA-N 280.372 1.911 0 50 CDAA COCc1nc(CN2CCc3n[nH]cc3C2)cs1 331850815 GTDZNAHYPZFVNY-UHFFFAOYSA-N 264.354 1.571 0 50 CDAA CCN1CCN(C(=O)CCCOC)C[C@@H]1c1ncc[nH]1 328624456 JXMXSKVYUCWKNC-GFCCVEGCSA-N 280.372 1.042 0 50 CDAA CCOCCN1C[C@H](O)C[C@@H]1c1cccc(OC)c1 282424892 YVKDDKHNXUCOGC-UKRRQHHQSA-N 265.353 1.839 0 50 CDAA CO[C@@H]1CCCN(C(=O)c2cc(CC(C)C)nc(N)n2)C1 216458886 MGHUIYYKDLWCBQ-GFCCVEGCSA-N 292.383 1.508 0 50 CDAA CCOCN(C(=O)C(=O)O)c1c(C)cccc1CC 34751486 OTKTUNJJKYTOFF-UHFFFAOYSA-N 265.309 1.969 0 50 CDAA in-vitro CC(=O)N1CC(Nc2cccc3cccnc23)=CC1=O 218456499 CGJQWHLLFPRXIN-UHFFFAOYSA-N 267.288 1.919 0 50 CDAA COc1ccccc1[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 152802801 HWULGSBPAWHTJO-CQSZACIVSA-N 299.374 1.987 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@H]([C@H]3CCOC3)C2)cn1 333344442 UHSBJVRRESMBAY-STQMWFEESA-N 296.392 1.437 0 50 CDAA Cc1cc(C)n([C@H](C)C(=O)N2CCCc3n[nH]cc32)n1 333357435 WVSUCPWTAQNNTP-LLVKDONJSA-N 273.340 1.763 0 50 CDAA O=C(O)C1(c2ccc(Br)cc2)COC1 76696591 XHLYQWDVGGDALC-UHFFFAOYSA-N 257.083 1.802 0 50 CDAA CCOCCn1c(=O)[nH]c2cc(C(=O)NC(C)C)ccc21 77456708 XBLMJMWCKQDPCG-UHFFFAOYSA-N 291.351 1.504 0 50 CDAA C[C@@H](CCO)NC(=O)c1csc(-c2ccccn2)n1 128516244 FUOBFHCRVMOWCJ-VIFPVBQESA-N 277.349 1.706 0 50 CDAA CC[C@@H]1CC[C@@H](C(=O)N2CCOCC23CCC3)O1 334313298 VXHCIGRJJAWBKR-NEPJUHHUSA-N 253.342 1.726 0 50 CDAA CCN1CCCN(C(=O)NC2CC(C)(F)C2)CC1=O 334684546 GRVKSGPGFZVSPH-UHFFFAOYSA-N 271.336 1.141 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(C/C(C)=C/c2ccccc2)C1 284472292 DRIMTPOXFOHMOQ-BWSMEOODSA-N 274.364 1.665 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 238098991 MPFZFSOIZJTWBW-AWEZNQCLSA-N 299.330 1.478 0 50 CDAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cnc(O)cn1 218901097 VOROVRSEHXZLFG-NSHDSACASA-N 288.307 1.764 0 50 CDAA O=C(CCc1nc(-c2ccoc2)no1)N1CCCC1 158347112 QRCJQJKMULYTDB-UHFFFAOYSA-N 261.281 1.885 0 50 CDAA CCN1C[C@H](NC(=O)c2cc(F)cc3nc[nH]c23)CC1=O 335572120 ZOZQXONDOMDYHI-SECBINFHSA-N 290.298 1.053 0 50 CDAA CCCCN(C)CCNC(=O)N1CCO[C@@H](C)[C@H]1C 241588418 PDAJBIUDMKJSQW-OLZOCXBDSA-N 271.405 1.537 0 50 CDAA COc1cc(Cn2cnc3c(N(C)C)ncnc32)ccn1 342710484 SGEDCKZGCGSVQH-UHFFFAOYSA-N 284.323 1.344 0 50 CDAA Cc1ccc(O[C@H]2COCC[C@H]2NC(C)C)cn1 223745753 CHYYQNWOBRLQDY-KGLIPLIRSA-N 250.342 1.924 0 50 CDAA COc1cccc(CC(=O)N[C@@H]2CCCSC2)n1 338829446 HUTHMNOVGVXIKQ-LLVKDONJSA-N 266.366 1.645 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]12 222267037 FLJJAJJARNCUPA-JBBSTSQOSA-N 299.282 1.218 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N(C1CC1)[C@@H](C)C(=O)O 263548500 IXEHJHQTMCZRDP-QCBRBAQYSA-N 255.314 1.264 0 50 CDAA CCCn1nccc1NC(=O)NCc1cnnn1CC 528881525 IDJCKKIIANWFOU-UHFFFAOYSA-N 277.332 1.226 0 50 CDAA Cc1nn(C)c(C(=O)NCc2nccs2)c1Cl 426722714 VPUXZFKTWYEKLV-UHFFFAOYSA-N 270.745 1.768 0 50 CDAA CC(C)(CN1CCOCC1)CN1C[C@@H]2CC[C@H]1CNC2 426486445 SITKGDCRAWAJJV-CABCVRRESA-N 281.444 1.029 0 50 CDAA O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCSCC1 238950707 ZLLLNOWXDZSOHC-HAQNSBGRSA-N 295.412 1.055 0 50 CDAA CCSc1ccccc1C(=O)N[C@@H]1CCC(=O)NC1=O 532956781 RZTGNBYYTQUZSS-SNVBAGLBSA-N 292.360 1.334 0 50 CDAA O=C(NCCc1ccccn1)c1nc2ccccc2[nH]1 426727319 DBEDWDGCYANRFR-UHFFFAOYSA-N 266.304 1.930 0 50 CDAA COCCN1CCN(Cc2ccc3cn[nH]c3c2)C[C@H]1C 179509471 WKTRUTXYJLGOSV-CYBMUJFWSA-N 288.395 1.715 0 50 CDAA Cc1ccc([C@@H](C(=O)NC2CCOCC2)N(C)C)cc1 95352674 MZQBCUSZXVCTOB-HNNXBMFYSA-N 276.380 1.893 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cn2cccc(C)c2n1 426503528 YVFIYGRZDPUJNT-CHWSQXEVSA-N 289.335 1.176 0 50 CDAA Cc1cc(C)c2[nH]c(CNCC(=O)NC3CC3)cc(=O)c2c1 91270356 RUWRHTYHAMIMKB-UHFFFAOYSA-N 299.374 1.513 0 50 CDAA O=C(NCCc1c[nH]cn1)c1ccc(-n2ccnc2)cc1 97436766 FLCCCYYRPMYZOB-UHFFFAOYSA-N 281.319 1.568 0 50 CDAA O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCCCC1 238899360 FYFJLDUHPTUOEU-CDGCEXEKSA-N 290.363 1.030 0 50 CDAA Cc1n[nH]c(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1Cl 91997696 KQMQWZBAKGFDBU-BDAKNGLRSA-N 268.748 1.181 0 50 CDAA Cc1nc(NCc2cccc(-n3cccn3)c2)n(C)n1 162495627 PSGUQEKOHCQOIA-UHFFFAOYSA-N 268.324 1.921 0 50 CDAA O=c1[nH]c(Br)ccc1I 97756661 CNGPOXHRQJBFBQ-UHFFFAOYSA-N 299.893 1.742 0 50 CDAA C[C@H](Cc1ccccc1F)C(=O)N1CC[C@@H](N)C1 237558691 CMIHSVIIUVJQBN-ZYHUDNBSSA-N 250.317 1.564 0 50 CDAA CCn1ccnc1CN1C[C@H](CO)[C@H](CN2CCCC2)C1 91663199 WUSTVAOLENGDNH-HUUCEWRRSA-N 292.427 1.039 0 50 CDAA CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(O)cc2)C1 91596107 ODWOICZIPKDQDF-OLZOCXBDSA-N 292.379 1.024 0 50 CDAA CC(=O)N[C@@H]1CN(c2cnccn2)C[C@H]1c1ccc(C)o1 91350743 RVFJQDYQQNXPGD-CHWSQXEVSA-N 286.335 1.487 0 50 CDAA CCN(CCn1cccn1)C(=O)c1c(C)cc(C)[nH]c1=O 91713649 KFBRSQMBXSQBER-UHFFFAOYSA-N 288.351 1.351 0 50 CDAA Cc1c(S(=O)(=O)N2CCCc3ncccc32)cnn1C 295162339 DTVYLLSBSCIVMN-UHFFFAOYSA-N 292.364 1.265 0 50 CDAA Cc1nc(C)n(CCNC(=O)c2cc(CC(C)C)on2)n1 244787931 QGMCELDMXSRDDY-UHFFFAOYSA-N 291.355 1.511 0 50 CDAA Cn1ccc(NC(=O)CN2CCCC[C@H]2c2ccccn2)n1 244875039 XLONLONONQFIQX-AWEZNQCLSA-N 299.378 1.981 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2c(c1)OCCO2 245238691 YTULDZRSORQMNU-NBLIUIFLSA-N 297.310 1.769 0 50 CDAA CNC(=O)[C@@H]1CN(CC2CCCCCC2)CCO1 182446949 VINWDIRPYWCAMA-ZDUSSCGKSA-N 254.374 1.404 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 299738761 GBYRNDBEYGRGGH-YUELXQCFSA-N 292.354 1.853 0 50 CDAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCOC1)c1ccc(F)cc1 299750046 MNJFPKVVWBDWHL-ZWNOBZJWSA-N 295.310 1.884 0 50 CDAA O=C(CCn1cccc1)Nc1ccc2nnnc(O)c2c1 604419480 CZVIHOLSXUHDLW-UHFFFAOYSA-N 283.291 1.561 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cn1 613659871 DPLFCFZIWINVCI-ZYHUDNBSSA-N 267.760 1.948 0 50 CDAA Cc1ccc2ncccc2c1CNS(C)(=O)=O 825209149 AISGDJZMDGUIRC-UHFFFAOYSA-N 250.323 1.592 0 50 CDAA COCc1nc([C@@H]2CCOC2)n(CC(F)(F)F)n1 824490571 MBUVIFGSUZOXHI-SSDOTTSWSA-N 265.235 1.491 0 50 CDAA COc1cccc2c(=O)n(CC3(CO)CC3)cnc12 584892018 LPZPXBOJSHMDLQ-UHFFFAOYSA-N 260.293 1.178 0 50 CDAA CCn1cc(CN(C)Cc2ncccc2C(=O)O)c(C)n1 823592412 JGJGTHQTCNFRQF-UHFFFAOYSA-N 288.351 1.937 0 50 CDAA COCC1(C(=O)N(C)CCN(C)C2CCCC2)CC1 584900370 XYICXXQUNCQOKA-UHFFFAOYSA-N 268.401 1.746 0 50 CDAA COc1ccc2ncn(Cc3cnc(C)cn3)c(=O)c2c1 584901584 NIXNTMKFWCGLRC-UHFFFAOYSA-N 282.303 1.552 0 50 CDAA Cc1cc(CN(C)C[C@H]2CCN(C)C2(C)C)n[nH]1 670455414 IWIVPJHXZVGUGY-GFCCVEGCSA-N 250.390 1.880 0 50 CDAA CC/C(C)=C/CCN1C[C@H](O)[C@@H](N2CCCC2)C1 670440749 NLMXJJCHJGBWSX-OOHOIJMXSA-N 252.402 1.874 0 50 CDAA CCc1ncnc(N2CCN(c3ccncn3)CC2)c1F 1150778134 GQKBYXHLHBNCOF-UHFFFAOYSA-N 288.330 1.295 0 50 CDAA COc1cc(F)c(N2C(=O)[C@@H](C)CN(C)C2=O)cc1OC 685944360 OSCICQVJNSDYAD-QMMMGPOBSA-N 296.298 1.877 0 50 CDAA Oc1c(I)cnc2c1OCCO2 66054278 XDMBVVQYAZAKHH-UHFFFAOYSA-N 279.033 1.163 0 50 CDAA in-vitro NC[C@@H]1CC[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)CN1 757211920 JJIVXKCAOKVNDZ-NAKRPEOUSA-N 265.323 1.244 0 50 CDAA Cc1nonc1CNC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 873281371 HVGOITUOYGCHJN-NEPJUHHUSA-N 294.355 1.336 0 50 CDAA Cc1nc(NC(=O)N2CCC[C@@H]2c2nc[nH]n2)oc1C 1875282851 VNFLSAJDMMMAMO-SECBINFHSA-N 276.300 1.779 0 50 CDAA C[C@@H](NCC1(n2ccnn2)CC1)[C@@H]1COc2ccccc2C1 1875298814 OJBBDJSWUJTKCL-HIFRSBDPSA-N 298.390 1.997 0 50 CDAA CCc1noc(CCC(=O)N2CCSCC2)n1 1875314306 QYVRSWWOCAAXDW-UHFFFAOYSA-N 255.343 1.140 0 50 CDAA OC1CC2(C1)C[C@H]2NC1=NC[C@H](c2c(F)cccc2F)N1 1875405375 FFDASBNFOARIGT-LJZCJUCVSA-N 293.317 1.468 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CC(=O)Nc3nccn32)C1 952991721 DKQGMQLJYDLUGI-UHFFFAOYSA-N 278.312 1.171 0 50 CDAA Cn1cccc1CNC(=O)[C@@H]1CCCO[C@H]1c1cn[nH]c1 886089114 YDTFLZXHQBIZHI-KGLIPLIRSA-N 288.351 1.532 0 50 CDAA CO[C@@]1(c2nnc(-c3c(C)ccn3C)o2)CCOC1 886085541 JOGHAWAAJXCJBY-ZDUSSCGKSA-N 263.297 1.646 0 50 CDAA COCC[C@H](C)N[C@@H]1CC[C@H](C(F)(F)F)N(C(C)=O)C1 886066080 YJJWRDIEIYTVFZ-MVWJERBFSA-N 296.333 1.943 0 50 CDAA COc1ccc2[nH]ccc(=N[C@@H]3CCCCNC3=O)c2c1 891961269 ZXDIYTPFCGWCDG-OAHLLOKOSA-N 285.347 1.746 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nc(C(C)C)no2)C1 888077738 RLECTDWWQFGJJF-GHMZBOCLSA-N 291.355 1.878 0 50 CDAA C[C@H](O)C[C@H](C)NC(=O)c1cc(O)nc2c1CCCN2 1776006055 MAANVFCMZVSFLN-IUCAKERBSA-N 279.340 1.035 0 50 CDAA CC[C@@H]1CN(c2cncc(C(=O)N(C)C)n2)CC[C@]1(C)O 1565511427 XVQPJGRFXVCIAJ-ABAIWWIYSA-N 292.383 1.166 0 50 CDAA C[C@@H]1[C@H](O)CCCN1C(=O)[C@H]1CSCCS1 899746204 FVQVIZIJYCZLEO-OPRDCNLKSA-N 261.412 1.207 0 50 CDAA O=C(NC1CC1)c1cncc2nc(C(F)(F)F)[nH]c12 899927178 MROXWPMKBXEQOS-UHFFFAOYSA-N 270.214 1.869 0 50 CDAA CC(C)n1cncc1CN1CCCC[C@H]1C(=O)O 91273974 NXNPXNFIYMZNCM-LBPRGKRZSA-N 251.330 1.903 0 50 CDAA COCCN(C(=O)c1cc(C)c(C(=O)O)o1)[C@H]1CCOC1 630297652 IYALEGOMDHHSSB-JTQLQIEISA-N 297.307 1.164 0 50 CDAA Cc1cc(F)c(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1F 677980101 XIEGQHYTHPLJRI-SNVBAGLBSA-N 294.301 1.720 0 50 CDAA CCC1(CC)[C@@H](NC(=O)C2(O)CCC2)C[C@@H]1OC 170083971 IGGYWTSPDBOOLO-QWRGUYRKSA-N 255.358 1.611 0 50 CDAA Cc1ccc(C(=O)NS(=O)(=O)c2c(C)n[nH]c2C)cc1 170619554 PRAMIJYVGRCGHS-UHFFFAOYSA-N 293.348 1.454 0 50 CDAA O=C(c1cccnc1)N1Cc2cnnn2Cc2ccccc21 170605705 GFMOBSVCQRJNCL-UHFFFAOYSA-N 291.314 1.882 0 50 CDAA COc1ccccc1NCC(=O)N1CCCc2n[nH]cc21 280053176 HRGSKLBKKSZUKY-UHFFFAOYSA-N 286.335 1.810 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2SCCc3ccccc32)CCN1 188458012 AGPBSNXADRLMBO-BXUZGUMPSA-N 276.405 1.837 0 50 CDAA CCCN1CCCN(C(=O)[C@H]2CC2(C)C)CC1=O 189065220 QHPUCFSOLLIRAP-LLVKDONJSA-N 252.358 1.503 0 50 CDAA CN(CC1(CO)CC1)C(=O)C[C@H]1C(=O)Nc2ccccc21 189116579 BEGVSIUYGPWVCB-GFCCVEGCSA-N 288.347 1.343 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(C)oc1C 643954056 KBZBOYRRGUVNFA-OAHLLOKOSA-N 294.351 1.264 0 50 CDAA CC(C)c1cc(N2CC3(CCOC3)C2)n2ncnc2n1 559002179 MICXPLQPIGMVCA-UHFFFAOYSA-N 273.340 1.474 0 50 CDAA Cc1ccc2[nH]c(C(=O)NC3COCCOC3)cc2c1C 646804732 SNZYPFUXKGGHEJ-UHFFFAOYSA-N 288.347 1.930 0 50 CDAA Cc1ccc(C(=O)O)c(NC[C@@](C)(O)CCCO)n1 1506408301 RCXBGBMWERVSPL-ZDUSSCGKSA-N 268.313 1.024 0 50 CDAA CCc1ccc(CNCCN2CCC[C@@H](CO)C2)o1 1506397123 NLHIREPPKRWDMI-CYBMUJFWSA-N 266.385 1.636 0 50 CDAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N)cc1 122680 YCXPHUHJDQRZRT-SNVBAGLBSA-N 254.355 1.832 0 50 CDAA in-vitro COC(=O)c1cc2cc(N3CCNCC3)ccc2o1 220448517 KQFZJWQYXVMNHM-UHFFFAOYSA-N 260.293 1.629 0 50 CDAA in-vitro CCN(CC)C(=O)Cn1cnc2sc(C)cc2c1=O 1980778 HIZVYYNQNWRFJH-UHFFFAOYSA-N 279.365 1.635 0 50 CDAA Cc1ccc(CNC(=O)COC2CCNCC2)s1 111758486 YKYDVGITMQEHPR-UHFFFAOYSA-N 268.382 1.441 0 50 CDAA O=C(O)CCN(C(=O)c1ccc[nH]1)C1CCOCC1 767039174 XAHUPGQSOOGDGL-UHFFFAOYSA-N 266.297 1.111 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NC2(c3ccccc3)CC2)CC[C@@H]1O 1704313364 ONCDMEVNHPJKIF-VHDGCEQUSA-N 289.375 1.968 0 50 CDAA Cc1cc(C(N)=O)c(N2CC(c3ccncc3)C2)nc1C 1704335257 MCGDBENHRLURGK-UHFFFAOYSA-N 282.347 1.796 0 50 CDAA CCC[C@@]1(CO)CN(c2ncc(Cl)cn2)CC[C@H]1O 1857726103 WRDRYLSTHFCHHD-YPMHNXCESA-N 285.775 1.480 0 50 CDAA C[C@H]1C[C@@H](C)C[C@H]([C@@H](O)CC2CC(=O)NC(=O)C2)C1=O 11592912 YPHMISFOHDHNIV-DMWPJOQESA-N 281.352 1.042 0 50 CDAA biogenic,in-vitro C[C@H]1CCC[C@H]1OC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 12414199 NOPQVBCPBSUPGR-VYDRJRHOSA-N 271.401 1.662 0 50 CDAA COc1cccc(OC)c1C(=O)N1C[C@H](C)O[C@H](C)C1 13118636 OWGMIPBVQNQXTE-PHIMTYICSA-N 279.336 1.953 0 50 CDAA O=C(NCCNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1 19227688 DSPFIFQFRWZITA-ZDUSSCGKSA-N 294.326 1.241 0 50 CDAA N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O 2384791 VULSXQYFUHKBAN-NSHDSACASA-N 266.297 1.105 0 50 CDAA in-vitro O=C(Cc1cccnc1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1875249283 PTOYXEZKCDTOCI-GDBMZVCRSA-N 297.358 1.081 0 50 CDAA Cc1nnc2ncc(-c3ccc([C@H]4CNC(=O)C4)cc3)cn12 1875250645 UISMXWZDNAKYAO-CYBMUJFWSA-N 293.330 1.703 0 50 CDAA N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)CCc1c[nH]c2ccccc12 316451364 LOEMEIJICGLTFY-IEAZIUSSSA-N 299.374 1.331 0 50 CDAA CC1(C)C[C@H](NCc2nncn2-c2ccccc2)CO1 557182965 YCGWZVRDAFDHDT-LBPRGKRZSA-N 272.352 1.924 0 50 CDAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@@H]1CCCCO1 261914923 HPMCZUMRKGJMDD-ZDUSSCGKSA-N 293.319 1.966 0 50 CDAA CCCCCOCC(=O)N1CC[C@H](n2ccnn2)C1 585126779 IJVSOUYNYTXDHA-LBPRGKRZSA-N 266.345 1.258 0 50 CDAA C[C@H]1CN(C(=O)Cc2cccc(C(=O)O)c2)CCCO1 263550821 WJBFXYOEXZUNFZ-NSHDSACASA-N 277.320 1.565 0 50 CDAA CC1(C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCC1 267358552 NIHAIWZKBLRPKF-UHFFFAOYSA-N 290.370 1.038 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCOCc2ccccc2)C1 389939378 CLFDOQYUBBTEBO-KGLIPLIRSA-N 291.347 1.820 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)[C@H](C)c1cccc(O)c1 901052558 OXGPYUNEMLSTQR-GFCCVEGCSA-N 290.363 1.946 0 50 CDAA CN1CCC[C@@H](c2nc(-c3ccsn3)no2)C1=O 903716326 WPMFEMBMSFMQIZ-ZETCQYMHSA-N 264.310 1.529 0 50 CDAA COc1ccc(Cc2nc(Cn3cncn3)no2)c(C)c1 904035388 BHWYMQBXOFMDGQ-UHFFFAOYSA-N 285.307 1.617 0 50 CDAA CCCN1CCN(C(=O)c2ccc(F)cc2)CC1 16605736 JSXWJZLVNYHUNS-UHFFFAOYSA-N 250.317 1.994 0 50 CDAA O=C(c1ncccc1O)N(Cc1ccncc1)C1CC1 153641199 POVMCGBGCOLHAM-UHFFFAOYSA-N 269.304 1.987 0 50 CDAA COCc1ccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1 154010600 CVBKQHNAFYWVCL-RYUDHWBXSA-N 262.353 1.655 0 50 CDAA O=C(CC1(C(=O)O)CCC1)N1CCC2(CCOCC2)C1 261760811 NPSARQVYRDRPLP-UHFFFAOYSA-N 281.352 1.661 0 50 CDAA O=C(NCc1ccccc1-n1cccn1)c1cn[nH]c1 40495782 NMXNTCNITHNSSA-UHFFFAOYSA-N 267.292 1.525 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)C1CC(C)C1 643850976 BQTSEHHLZROQNQ-SRHKJQAYSA-N 255.314 1.125 0 50 CDAA COc1ccc(C(=O)N[C@@H]2C[C@@H]3NCC[C@@H]32)cc1F 1875286020 AKDNPDGFPYJAGP-ZMLRMANQSA-N 264.300 1.315 0 50 CDAA Cn1nc(C2CCCC2)cc1C(=O)NC1(C(=O)O)CC1 2325788780 CWAPPYPBXPFDEY-UHFFFAOYSA-N 277.324 1.425 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccc(CN(C)C)nc1 2325795242 SEIQEBDUCVQJGA-WCQYABFASA-N 276.384 1.095 0 50 CDAA O=C(NC1CCOCC1)[C@H]1CCN(c2ccccc2)C1=O 2325822313 QAYMYHVSVDSBBX-CQSZACIVSA-N 288.347 1.335 0 50 CDAA O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)N1CC[C@H](O)C12CCC2 2325829802 SNPNRRDXPSNIKU-DJRDOVHKSA-N 262.353 1.340 0 50 CDAA O=C(N[C@H](Cc1nn[nH]n1)c1ccccc1)c1ccsc1 2325863047 SEJLRLHHLKNXOG-GFCCVEGCSA-N 299.359 1.975 0 50 CDAA Nn1c(CCC(=O)O)nc2sc3c(c2c1=O)CCCC3 126483 LHBAFLNBWWBKSE-UHFFFAOYSA-N 293.348 1.068 0 50 CDAA OCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1 152009 HHUJDQDIOLNEJZ-CYBMUJFWSA-N 298.342 1.969 0 50 CDAA O=C(O)CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 152519 WRHRAYXDNAARBQ-UHFFFAOYSA-N 294.326 1.729 0 50 CDAA CC(=O)NS(=O)(=O)Nc1cc(Cl)cc2c1OCC2 133777910 AINPNJOCBSFLNL-UHFFFAOYSA-N 290.728 1.068 0 50 CDAA O=C(C[C@H](C(=O)O)N1CCCCC1)Nc1ccccc1 195858 QGDCJOTWVVFFJZ-CYBMUJFWSA-N 276.336 1.954 0 50 CDAA CCOC(=O)[C@@H]1CCc2nc3ccccc3c(=O)n21 227037 JFMRKAAYWJBOST-NSHDSACASA-N 258.277 1.447 0 50 CDAA biogenic O=CN1CCN(C(=O)c2ccc3ccccc3c2)CC1 455265 LGCZKSSXNKKEHL-UHFFFAOYSA-N 268.316 1.754 0 50 CDAA CC(C)Oc1nccn2c(-c3cnn(C)c3)cnc12 2356137088 FICYUGJRPIITBR-UHFFFAOYSA-N 257.297 1.917 0 50 CDAA CCCN1Cc2nnc(-c3cnccn3)n2[C@@H](C)C1=O 2356144981 VFZAVDTXJVBMOI-VIFPVBQESA-N 272.312 1.048 0 50 CDAA COC[C@@]12COC[C@@H]1CN(Cc1nc(C)cs1)C2 2356149566 JFWUOORKOODHSN-AAEUAGOBSA-N 268.382 1.546 0 50 CDAA O=C(O)CCCC(=O)NCc1ccc2c(c1)OCO2 2754765 PBNAFLQRRUQBMA-UHFFFAOYSA-N 265.265 1.286 0 50 CDAA C[C@@H](Oc1ccc(/C=C2/SC(=O)NC2=O)cc1)C(=O)O 2979381 LMZFDRWNTAFDAT-VSUWBIFXSA-N 293.300 1.862 0 50 CDAA O=C(O)C[C@@H]1SC(Nc2ccc(O)cc2)=NC1=O 4133769 GEJQZHHQJXYOKV-QMMMGPOBSA-N 266.278 1.277 0 50 CDAA O=C(NCCCNC(=O)c1ccco1)c1ccncc1 4487431 HEESHGWGGAWOIL-UHFFFAOYSA-N 273.292 1.225 0 50 CDAA CC(C)Oc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1 6702731 LHLGXQHFVQWDCS-UHFFFAOYSA-N 290.363 1.811 0 50 CDAA COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1 8914282 FPDLWLOXHBFFPS-ZDUSSCGKSA-N 290.319 1.504 0 50 CDAA Cc1cccc2c1N(C(=O)[C@@H]1CCS(=O)(=O)C1)CC2 225509821 WHIBDDYMHJTSNQ-GFCCVEGCSA-N 279.361 1.319 0 50 CDAA CC(C)c1noc([C@@H](C)N2CCN(CC(C)(C)O)CC2)n1 225538922 IDQDTCPGXINBNN-GFCCVEGCSA-N 296.415 1.643 0 50 CDAA COc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)cn1 225606577 BBRMTRVAGSDGHX-ZNMIVQPWSA-N 292.379 1.452 0 50 CDAA O=C(NC1=NCCS1)c1ccc2nc(S)oc2c1 118766491 ASCGWVQFOGHZDL-UHFFFAOYSA-N 279.346 1.949 0 50 CDAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cccc(C)c1 54274474 JAXIXFXTFOHINJ-ZDUSSCGKSA-N 276.336 1.571 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)COC2CCCCC2)N(C)C1 346704207 XVLTZNKDEAGFSC-ZFWWWQNUSA-N 298.427 1.513 0 50 CDAA Cc1ccc(-c2nccn2CCc2c[nH]c(=O)[nH]c2=O)o1 77302967 MUUWTBZBIHNBGA-UHFFFAOYSA-N 286.291 1.071 0 50 CDAA CCc1ncc2c(n1)CN(C(=O)[C@@H](CC)n1cccn1)C2 67885314 SVWMBCLIQUCNLY-CYBMUJFWSA-N 285.351 1.729 0 50 CDAA COc1ccc(N2C[C@H](c3nnc(N)o3)CC2=O)cc1 21663349 CLNAQRJIXSWUCQ-MRVPVSSYSA-N 274.280 1.181 0 50 CDAA COc1ccccc1CC(=O)OC[C@H](C)N1CCOCC1 252498676 RIGGOPDJVGQYAV-ZDUSSCGKSA-N 293.363 1.502 0 50 CDAA CN[C@H]1CCCN(C(=O)c2sc(C)cc2OC)C1 150983567 LVDFFMOMSUWLJJ-JTQLQIEISA-N 268.382 1.889 0 50 CDAA CCn1nccc1CCN1CC(=O)N[C@H]2CCCC[C@H]21 252515617 MFMCFZYAMZAUFB-UONOGXRCSA-N 276.384 1.189 0 50 CDAA c1n[nH]c2c1CC[C@H](c1nc([C@H]3CCOC3)no1)C2 120113578 ZHKFRHYAOICTDX-WPRPVWTQSA-N 260.297 1.569 0 50 CDAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 57494 ASWVTGNCAZCNNR-UHFFFAOYSA-N 278.337 1.476 0 50 CDAA biogenic,world COc1ccc(-c2cn(S(C)(=O)=O)nc2C)cc1OC 1397206 ZAGUHTKXDZRBBI-UHFFFAOYSA-N 296.348 1.683 0 50 CDAA CCOC(=O)CN1CCN(c2cccs2)CC1 121323368 COHCTFPYADIABY-UHFFFAOYSA-N 254.355 1.433 0 50 CDAA CN1C[C@@H]2CC[C@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2 215212123 AGRAQTRJXCIIHQ-RYUDHWBXSA-N 284.363 1.729 0 50 CDAA CCC[C@H](CC)[S@@](=O)CCCS(C)(=O)=O 359441540 QYXQICBPDFXFDJ-HZMBPMFUSA-N 254.417 1.749 0 50 CDAA Cc1ccc2nc(Cn3cnc4ccncc4c3=O)cn2c1 32587115 MYAWHDJLVPIZQR-UHFFFAOYSA-N 291.314 1.796 0 50 CDAA Cn1nc(-c2ccnc3c2ccn3C)nc1N1CCOCC1 77386465 VYCMAJDOVVBCIC-UHFFFAOYSA-N 298.350 1.205 0 50 CDAA Cc1nc(C(=O)N[C@H](C)C2CCOCC2)ccc1C(=O)O 235235059 RGLAYIJYWAXVPI-SECBINFHSA-N 292.335 1.633 0 50 CDAA CN1C[C@@H](CNC(=O)CCc2nc[nH]n2)Cc2ccccc21 368823576 NMZMJTROUZBEAI-GFCCVEGCSA-N 299.378 1.162 0 50 CDAA CCCc1cc(C(=O)N[C@H](COC)c2ccnn2C)no1 77358201 FDUMBKZXPKEPIS-GFCCVEGCSA-N 292.339 1.478 0 50 CDAA Cc1noc(CNC(=O)N(C)Cc2scnc2C)n1 332246052 AQZBWMDTKFKYGG-UHFFFAOYSA-N 281.341 1.485 0 50 CDAA C[C@@H]1CN(c2ccc3ccccc3n2)C[C@H]1C(N)=O 284526326 FVDNVJODDRMQHB-ZYHUDNBSSA-N 255.321 1.792 0 50 CDAA CCC(CC)n1nccc1C(=O)N1CCO[C@@H](C(=O)O)C1 236733728 QPFISEHNNNLHDK-GFCCVEGCSA-N 295.339 1.170 0 50 CDAA CN(C)C(=O)CN1CC[C@H](c2ccccc2C(=O)O)C1 72152554 WGDRQWRYBJOPDN-NSHDSACASA-N 276.336 1.262 0 50 CDAA CC(C)c1nnc(CN2CCC[C@H](N3CCCC3=O)C2)o1 71749054 ZCGWKCGBXBPZMR-LBPRGKRZSA-N 292.383 1.780 0 50 CDAA C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(C2CC2)cc1 263091246 DRSQCHSUOPHVLP-VIFPVBQESA-N 283.349 1.658 0 50 CDAA O=C(N1CCC12CCC2)C1(N2CCOCC2)CCC1 334683162 CTKMNOJQYLXULJ-UHFFFAOYSA-N 264.369 1.396 0 50 CDAA Cc1c(C(=O)O)sc2ncnc(N[C@@H]3CCOC3)c12 131570503 OIOATEKBWNAARU-SSDOTTSWSA-N 279.321 1.899 0 50 CDAA CC(=O)N(C)CC(=O)N1CC(C)(C)O[C@@H]2CCC[C@H]21 335643509 QQOYFFGLCUNOLY-VXGBXAGGSA-N 268.357 1.023 0 50 CDAA CC1(C)CN(C(=O)CN2CCCCC2=O)[C@H]1C1CC1 335677603 WLCINFVUKMARSC-AWEZNQCLSA-N 264.369 1.646 0 50 CDAA C[C@@H](CNC(=O)c1ccc2[nH]cnc2c1)c1nncn1C 288040538 ISLYIOBQEWRSTQ-VIFPVBQESA-N 284.323 1.225 0 50 CDAA CN(C)S(=O)(=O)n1ccnc1[Si](C)(C)C(C)(C)C 195801724 TZBRCDMGXKRTCN-UHFFFAOYSA-N 289.477 1.253 0 50 CDAA CCc1csc(CCNC(=O)[C@H](C)Cn2cccn2)n1 223562604 QEXCHOZDZMWREJ-LLVKDONJSA-N 292.408 1.897 0 50 CDAA CCOC[C@H]1CCN([C@H](C)C(=O)Nc2nccs2)C1 246226909 PTUNXLRFYNADMS-MNOVXSKESA-N 283.397 1.829 0 50 CDAA COc1ccc2c(NC[C@@](C)(O)C(=O)O)ncnc2c1F 263566323 WNRPFPXUBPQDQN-CYBMUJFWSA-N 295.270 1.025 0 50 CDAA Cc1cnc(CN2CCCC[C@H]2CN2CCOCC2)cn1 336835886 KCKMOBHFSLRSEH-INIZCTEOSA-N 290.411 1.472 0 50 CDAA Cc1nc(-c2cnc(C3CC3)nc2C)n(CC(=O)O)n1 97546710 YNVAYGYULIBWOR-UHFFFAOYSA-N 273.296 1.314 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CSCN2)C[C@@H](c2ccccc2)O1 237620295 KZMULAUPWRKCEQ-BNOWGMLFSA-N 292.404 1.638 0 50 CDAA COc1cc(I)cc(C(=O)O)c1 91691843 LAGXFKIAZDJQDL-UHFFFAOYSA-N 278.045 1.998 0 50 CDAA O=C(Nc1cccnc1Cl)N1CCOC[C@H](CO)C1 95517434 ORQNDEGJHXDQAI-VIFPVBQESA-N 285.731 1.208 0 50 CDAA Cc1nccn1CCN(C)C(=O)Nc1ccc(F)nc1 96150066 HHGIATIAHRIJFY-UHFFFAOYSA-N 277.303 1.890 0 50 CDAA CCN1CC2(CCC1=O)CCN(Cc1noc(C)n1)CC2 91586506 NPWRANHRTNLISA-UHFFFAOYSA-N 292.383 1.603 0 50 CDAA CCN1CCC[C@](C)(C(=O)NCCn2nc(C)nc2C)C1 95364448 YEENDYWFQCROME-HNNXBMFYSA-N 293.415 1.133 0 50 CDAA O=C(O)CCC(=O)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 244811724 SJZIXOGWFAKXPB-VYUIOLGVSA-N 283.349 1.541 0 50 CDAA CC(=O)OC[C@@H]1[C@H](COC(C)=O)[C@H]2[C@H]3[C@@H]4[C@H]5[C@@H]([C@@H]42)[C@@H]1[C@@H]35 253494508 XTXBQHXJXASLQQ-KYPYEOJQSA-N 276.332 1.343 0 50 CDAA O=C(Cc1ccccc1)Cn1cnc2c(c1=O)CCC2 184097272 WZLLOAGEWFLKEG-UHFFFAOYSA-N 268.316 1.544 0 50 CDAA O[C@H]1C[C@@H]([C@H](Cc2ccncc2)NC2CCOCC2)C1 252572398 ZFNUXKIDZWQVDP-IMJJTQAJSA-N 276.380 1.532 0 50 CDAA O=C(Cn1ncc2ccccc21)NCc1noc(C2CC2)n1 534280561 GTSDQYITAPWHQI-UHFFFAOYSA-N 297.318 1.613 0 50 CDAA Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)s1 534589996 PIDTZYLYXMLBAT-BKUVIOGVSA-N 298.433 1.427 0 50 CDAA CCc1ocnc1C(=O)NCc1[nH]cc(C)c(=O)c1C 534644676 BAGXBPNLDIYNQF-UHFFFAOYSA-N 275.308 1.472 0 50 CDAA CCCCc1nc(C)cc(=NCCNC2CCOCC2)[nH]1 534632511 UOOKYBRLDHTXAR-UHFFFAOYSA-N 292.427 1.730 0 50 CDAA Cc1cccc2c1NC(=O)[C@@H]1C[C@@H](N(C)C)CN1C2=O 534637143 SRAILZBPSJWQAC-PWSUYJOCSA-N 273.336 1.092 0 50 CDAA C[C@@H](Cc1ccsc1)NC(=O)CCS(C)(=O)=O 617406973 ONJDCALZFFCYGG-VIFPVBQESA-N 275.395 1.230 0 50 CDAA CC(C)[C@@H](NC(=O)CN1CCCC1=O)c1ccccn1 299768001 HGNXEYYGBXHIKN-OAHLLOKOSA-N 275.352 1.517 0 50 CDAA COCCN1C[C@H](Cc2cccc(C(C)=O)c2)CC1=O 299799096 QLKMSTNJWYHKHB-CQSZACIVSA-N 275.348 1.927 0 50 CDAA O=C(NCCN1CCC(CO)CC1)c1ccc(Cl)cn1 299795686 OWDOLBZYMBYCND-UHFFFAOYSA-N 297.786 1.169 0 50 CDAA COCC1(C(=O)NCCn2nc(C)c(C)c2C)CC1 299787312 SPYPCULAEWLIID-UHFFFAOYSA-N 265.357 1.351 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1cc(C)nc(C)n1 299793146 GITVLOXVYPZQHA-JTQLQIEISA-N 288.355 1.586 0 50 CDAA CNC(=O)[C@H](NC(=O)C(C)(C)OC)c1ccccc1 299770998 UGNXTOUEDUCDLU-LLVKDONJSA-N 264.325 1.015 0 50 CDAA C[C@@H](CC(=O)N1CCC[C@H](C(=O)O)C1)C(F)(F)F 630098280 QNSCMLXOJUAQKW-YUMQZZPRSA-N 267.247 1.898 0 50 CDAA Cc1nc(N)nc(NCCN2CCC[C@H](CO)C2)c1Cl 828711178 NGYZSOLDPQHTBH-JTQLQIEISA-N 299.806 1.137 0 50 CDAA CC(C)S(=O)(=O)NCC1(C(F)(F)F)CCNCC1 725264797 YBNIJATTYHXKOJ-UHFFFAOYSA-N 288.335 1.246 0 50 CDAA C[C@@H](Cn1cncn1)C(=O)NCc1ccsc1 827628059 NBBBSFMPUIYLGM-VIFPVBQESA-N 250.327 1.292 0 50 CDAA O=C(Cn1cccc1)N1CCC(CN2CCOCC2)CC1 584888862 WZWHDOAIEQJPPH-UHFFFAOYSA-N 291.395 1.059 0 50 CDAA CN1CCC(NC[C@H]2Cc3ccccc3CN2C)CC1 823764773 FIBDOQCWAGZSDB-QGZVFWFLSA-N 273.424 1.727 0 50 CDAA N[C@@H]1CN(C(=O)NCCc2ccncc2)CC12CCC2 1553462718 NKBOORMRWHLGLU-CYBMUJFWSA-N 274.368 1.147 0 50 CDAA CN(C)[C@@H](c1ccccc1F)c1ncnn1CC(C)(C)O 670472597 CNFMDXDVYSGYEL-ZDUSSCGKSA-N 292.358 1.839 0 50 CDAA CCc1ccc(CN(C)Cc2nncn2CCOC)nc1 670461180 JKXPWTQXAGAPAW-UHFFFAOYSA-N 289.383 1.514 0 50 CDAA COc1nc(NCCCN2CCCC[C@H]2CO)ncc1F 670446173 GBRVASMVZMIXNL-NSHDSACASA-N 298.362 1.273 0 50 CDAA CN1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 16578267 HQKQAUBONPYAMR-UHFFFAOYSA-N 288.800 1.417 0 50 CDAA C[C@@H]1CCCCN1C(=O)Nc1cc(=O)n(C)cn1 864246604 GTYMNLJTMNENOP-SECBINFHSA-N 250.302 1.187 0 50 CDAA CCc1ccc([C@@H]2CCCN2C(=O)[C@H](O)c2cnc[nH]2)o1 865940188 TZDAWIGCKXURLP-GXTWGEPZSA-N 289.335 1.962 0 50 CDAA C[C@@H]1C[C@H](N)CN[C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 757213058 NNGYGHVINMQSEQ-NZFPMDFQSA-N 265.323 1.242 0 50 CDAA COc1ccc2nc(C)c(C(=O)N3CCCCC3)n2n1 1875253291 CDKIOWUGLFMUDM-UHFFFAOYSA-N 274.324 1.672 0 50 CDAA Cc1ccc(C(=O)NC2CC(Cn3cccn3)C2)nc1 1875297311 KUAONKGHXLSYPD-UHFFFAOYSA-N 270.336 1.795 0 50 CDAA Cn1cc(C[N@@]2C[C@H]2COc2ccc3cncnc3c2)cn1 1875378598 HJIIWZSZFTZFBW-QKKBWIMNSA-N 295.346 1.627 0 50 CDAA CC[C@H]1C=CCN1S(=O)(=O)c1cc(C(N)=O)cs1 952987549 OKCGGCHZLCLLQD-VIFPVBQESA-N 286.378 1.186 0 50 CDAA OC[C@@H]1CCCCN1CCNc1ncc(Cl)cn1 952968752 DBJGIJJCNMQRPF-NSHDSACASA-N 270.764 1.389 0 50 CDAA CCOC(=O)C(CCc1ccccn1)C(=O)OCC 34595550 XVPMESFRZJJXGY-UHFFFAOYSA-N 265.309 1.757 0 50 CDAA COc1ccc2c(c1)[C@@H](N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)CC2 886096747 CHQIUEQIQFZQIT-MWDXBVQZSA-N 299.374 1.843 0 50 CDAA Cc1cnc(C(=O)NC2(c3ncccn3)CCOCC2)cn1 886934829 MDGYJSRWGRNRBZ-UHFFFAOYSA-N 299.334 1.011 0 50 CDAA O=C(CCc1ncccn1)NC[C@]12C[C@H]1COC21CCC1 890169750 MWLAOLUFBBQYSV-SWLSCSKDSA-N 287.363 1.485 0 50 CDAA C[C@@H](C(=O)N1CCCC[C@@H]1Cc1nn[nH]n1)C1CC1 1775987593 FDHNKIMJSXSHTD-MWLCHTKSSA-N 263.345 1.169 0 50 CDAA O=C(OCc1ccccc1)N1CC[C@@H](O)[C@H](F)C1 49587255 RKRKELORNFODMN-VXGBXAGGSA-N 253.273 1.728 0 50 CDAA in-vitro Cc1ccn2ncc(C(=O)N[C@H](CC(=O)O)C(C)C)c2c1 1776005557 DUKJURAZFUEUJZ-GFCCVEGCSA-N 289.335 1.872 0 50 CDAA O=C(COCc1ccccc1)NC1(C(=O)O)CCCC1 37419606 XDFVVBGQMUPYHV-UHFFFAOYSA-N 277.320 1.717 0 50 CDAA CC(F)(F)CC(=O)N1CCC(N2CCCNC2=O)CC1 408384694 JXMICKYPWPBSHY-UHFFFAOYSA-N 289.326 1.438 0 50 CDAA COc1ccc(N)c(NC2COC(C)(C)OC2)n1 88315088 WZSHORLEUSNQNO-UHFFFAOYSA-N 253.302 1.236 0 50 CDAA in-vitro Cc1cc(OCC(=O)N2CCN(C)CC2)ccc1Cl 19570725 GUOYAOZLLXIGGU-UHFFFAOYSA-N 282.771 1.801 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CO[C@H](CO)C2)C1 95698555 QFZWHSBESNSOMV-SMDDNHRTSA-N 271.357 1.785 0 50 CDAA in-vitro OC[C@H](CNc1cc(NC2CC2)ncn1)c1cccnc1 413300097 NBQKIBSOMZSVLK-LBPRGKRZSA-N 285.351 1.634 0 50 CDAA C[C@@H]1C(=O)N(C)CCN1c1ncnc2c(F)cccc12 302823122 FMMJMHUHSOZKCC-SECBINFHSA-N 274.299 1.436 0 50 CDAA Cc1nc(CN(C)C(=O)Cc2ccc3c(c2)CCO3)no1 272653691 GFHNAUMVSGEMDC-UHFFFAOYSA-N 287.319 1.514 0 50 CDAA C[C@H]1C(=O)N(C)CCN1c1nc(C2CC2)ns1 170085523 LFXNZWNPZNWXFD-ZETCQYMHSA-N 252.343 1.082 0 50 CDAA O=C(NCCc1nnc(S)n1C1CC1)[C@@H]1C[C@H]1C1CC1 170655896 SWRZGPDIALENCM-WDEREUQCSA-N 292.408 1.607 0 50 CDAA Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN[C@H](C)C1 188391576 KAPXUQPATYIGRR-GFCCVEGCSA-N 298.390 1.923 0 50 CDAA CC(C)n1ccc(C(=O)N2CC[C@H](C(=O)O)[C@H](C)C2)n1 659224559 PYZQNZHIVKRIKY-MNOVXSKESA-N 279.340 1.647 0 50 CDAA O=C(N=c1cc[nH]cc1)N1CCOC[C@@H]1CC1CCC1 574155221 QPUOIRVTBWTHMR-AWEZNQCLSA-N 275.352 1.926 0 50 CDAA CS(=O)(=O)CCN(Cc1ccccn1)C[C@H]1CCCO1 1506427637 RLJVMMBKWIBHNH-CQSZACIVSA-N 298.408 1.107 0 50 CDAA COc1ccc(CN[C@H](C)c2nncn2C)cc1C(=O)O 1506410043 RNGACZIHLGLNLB-SECBINFHSA-N 290.323 1.373 0 50 CDAA CCNC(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccccc1 1529178494 MRCQCVPZPKLWSD-CABCVRRESA-N 290.363 1.500 0 50 CDAA CCn1cc(CN2CCN3C(=O)OC[C@]3(CC)C2)cn1 1857680891 XKXRKEJFRYZZAT-AWEZNQCLSA-N 278.356 1.320 0 50 CDAA Cc1cc(O)cc(=O)n1C[C@H](O)c1ccc(O)cc1 1547139447 QDMUYQXJBGQNLM-ZDUSSCGKSA-N 261.277 1.302 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CCNC[C@H]1C 124366793 TXVNCXVXXBTTBC-BDAKNGLRSA-N 251.330 1.215 0 50 CDAA COC1(C(=O)Nc2nc(CC(=N)O)cs2)CCC1 331825847 XEHAXHZJBCTHFL-UHFFFAOYSA-N 269.326 1.728 0 50 CDAA CCS(=O)(=O)N1CCCc2ccccc2CC1 334636056 VFNLSXOJSBCPTH-UHFFFAOYSA-N 253.367 1.827 0 50 CDAA CNC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C 336431782 VFTPSDJNGCRRKV-VIFPVBQESA-N 263.345 1.652 0 50 CDAA CO[C@H]1CCC[C@@H]1NC(=O)c1ccc(OCC(=O)O)cc1 1616044261 XPNYNKHVUKFUEZ-STQMWFEESA-N 293.319 1.447 0 50 CDAA CC(C)[C@@H]1CN(c2nnc(-c3cnccn3)n2C)CCO1 1616035972 KNFHDCBPWOZDKU-LBPRGKRZSA-N 288.355 1.133 0 50 CDAA CC(C)C[C@H](C)CC(=O)N1CCC(O)(C(=O)O)CC1 262561357 ZSWUQSKKOJWRTF-NSHDSACASA-N 271.357 1.497 0 50 CDAA O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 220911644 FNLUJRBWJBUJTC-LBPRGKRZSA-N 268.357 1.962 0 50 CDAA in-vitro N[C@H](Cc1ccccc1)c1nnc(NC2CCNCC2)o1 1772707120 PQCUHJPYSRCKBA-CYBMUJFWSA-N 287.367 1.476 0 50 CDAA CN1Cc2nnc(Cn3cccn3)n2-c2ccccc2C1=O 1772816641 YBMUHABGOLAFRE-UHFFFAOYSA-N 294.318 1.098 0 50 CDAA Cc1cc(C)c(C)c(S(=O)(=O)NCCO)c1C 11566264 AAZQORJOMPWIFH-UHFFFAOYSA-N 257.355 1.191 0 50 CDAA COc1cccc(C[C@@H]2CN(c3cnccn3)CCO2)c1 11754115 QQNXQFFYPUXVQM-OAHLLOKOSA-N 285.347 1.933 0 50 CDAA C[C@@H](CN1CCOCC1)OC(=O)COc1ccc(F)cc1 19456361 IMJCHNQTFUECEC-LBPRGKRZSA-N 297.326 1.468 0 50 CDAA N=c1n(CCO)c2ccccc2n1Cc1ccccc1 19805360 YTJQAGSMSDEPLX-UHFFFAOYSA-N 267.332 1.963 0 50 CDAA Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1C 169295795 BJWYYOGYFQTPEZ-SYQHCUMBSA-N 287.315 1.896 0 50 CDAA COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(C)O1 169683705 VRFNMNVGEUOPSJ-DLTLXFJOSA-N 299.326 1.918 0 50 CDAA CC[C@]12COC(=O)N1CCN(Cc1cccnc1OC)C2 1857675030 IEUMAZSWEGHHEE-HNNXBMFYSA-N 291.351 1.507 0 50 CDAA CCc1ccc(-c2nccn2[C@H]2CCNC[C@@H]2O)nc1 1857709418 WJSQIBYDDYCKAQ-KBPBESRZSA-N 272.352 1.403 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCn2nccc2C1 1857725432 WVHGRMWBFDZMAW-GFCCVEGCSA-N 288.351 1.709 0 50 CDAA CN(C)C[C@H]1[C@H]2CN(c3ncc(F)cn3)C[C@]23CC[C@H]1O3 1857729150 KTJKBEVYRLDUAW-KYEXWDHISA-N 292.358 1.161 0 50 CDAA NC(=O)c1ccnc(-c2ccc([C@H]3CNC(=O)C3)cc2)c1 1875245720 NKYIQDDOAODWJY-CYBMUJFWSA-N 281.315 1.451 0 50 CDAA O=C(Cn1cncn1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl 607066399 FBDNPDKAPMADFQ-LDYMZIIASA-N 294.717 1.743 0 50 CDAA COCCNC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O 4335131 MNMWDHLDVLAKJU-CYBMUJFWSA-N 291.351 1.189 0 50 CDAA CCc1ccccc1C(=O)NCCCN1C(=O)CCC1=O 120884967 LBPLXDSPXMOUTL-UHFFFAOYSA-N 288.347 1.518 0 50 CDAA C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1COCCO1 245289750 DVWSYNDYXTYWAB-IUODEOHRSA-N 290.363 1.269 0 50 CDAA COc1cccc2c1CCN([C@H](C(=O)O)C1CC1)C2 568281544 OYRAYGIFSGDSOY-AWEZNQCLSA-N 261.321 1.917 0 50 CDAA OCc1ccc(CN2C[C@@H](CO)Oc3ccccc32)cc1 367899643 DJDICACSXHWHLY-HNNXBMFYSA-N 285.343 1.939 0 50 CDAA COC[C@@H](N)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 262319341 QDJMGYITGZKQRO-ISVAXAHUSA-N 284.306 1.384 0 50 CDAA C[C@@]1(c2nc(-c3cc[nH]c4nccc3-4)no2)CCNC(=O)C1 904086550 KBWGFTCRXKUALT-OAHLLOKOSA-N 297.318 1.732 0 50 CDAA Cc1ccn(C)c1C(=O)N1CCc2occc2[C@H]1C(=O)O 910206026 PXYSZVWVISGUAA-ZDUSSCGKSA-N 288.303 1.751 0 50 CDAA CCC1(CC)CNC(=O)[C@H]1Nc1ncncc1Cl 929084793 LXFPWAZROBUQLE-SECBINFHSA-N 268.748 1.847 0 50 CDAA Cn1cnnc1CC1CCN(c2cnccn2)CC1 1120873910 GKJZCTJCIYTZQT-UHFFFAOYSA-N 258.329 1.064 0 50 CDAA CN1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 16652493 XJSXERBCYQLKGQ-UHFFFAOYSA-N 258.243 1.492 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2C(=O)CC[C@]2(C(=O)O)C1 1857781226 YPFVTZKKCQAULR-OQPBUACISA-N 269.297 1.287 0 50 CDAA O=C(N[C@H]1CCCNC1=O)c1ccc2[nH]ccc2c1 111277127 ATTFITXUMWUSTO-LBPRGKRZSA-N 257.293 1.176 0 50 CDAA CC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1nnn[nH]1)(C3)C2 6493246 OREGLOMVMHDCBC-RFZWMSCOSA-N 261.329 1.745 0 50 CDAA CCNc1nc(C(=O)N2CCC(C)(CO)CC2)cs1 273815056 BTLNBVUMEBLVSP-UHFFFAOYSA-N 283.397 1.810 0 50 CDAA CNc1nc(C)cc(C(=O)N2CCC[C@@H](CO)CC2)n1 294367194 BSZCTNWHVFOEAU-LLVKDONJSA-N 278.356 1.061 0 50 CDAA CCOC(=O)c1cc(Br)cnc1C=O 148098194 KLOUURJBWJGNOF-UHFFFAOYSA-N 258.071 1.833 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)CCO1 567408815 DUWYYIWBJXIROT-MLGHIDQZSA-N 281.352 1.513 0 50 CDAA CCCc1nc(CN2CCC[C@@](O)(C(F)(F)F)C2)no1 330366387 PLCPJFCKCSVEKC-NSHDSACASA-N 293.289 1.911 0 50 CDAA C[C@H](C(=O)NCC1(O)CCC(F)(F)CC1)n1cccn1 426501902 RHWWTEVGEBPHNE-SNVBAGLBSA-N 287.310 1.501 0 50 CDAA CN1CC[C@](O)(CNC(=O)c2cc3cccnc3s2)C1 562535561 XDAGURQBSRIPOY-AWEZNQCLSA-N 291.376 1.093 0 50 CDAA Cc1ccccc1[C@H]1CN(Cc2cnn(C)n2)CCO1 368591596 HXKYCXDXACOPGE-OAHLLOKOSA-N 272.352 1.697 0 50 CDAA Cc1ccc(CN[C@@H]2CCCN(CCO)C2)c(C)c1 384634515 WJNCSIDKFPYLNF-MRXNPFEDSA-N 262.397 1.850 0 50 CDAA Cc1c(Cl)cccc1CN1CCO[C@H](C(=O)O)C1 901488580 GJTTXIHHYZCCKV-LBPRGKRZSA-N 269.728 1.934 0 50 CDAA CN1C[C@H]2CC[C@H]1CN2C(=O)c1c2c(nn1C)CCCC2 2325802085 GNZQSYVABMVBDM-NWDGAFQWSA-N 288.395 1.218 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 2325884125 HIPWUZJUYHJGTM-UHFFFAOYSA-N 298.386 1.996 0 50 CDAA CC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1ccc(F)cc1 31803 QRPAQKCEQIGTSY-MNOVXSKESA-N 269.297 1.873 0 50 CDAA CCC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O 91143 UUHSDPJONQOMQQ-NSHDSACASA-N 287.337 1.227 0 50 CDAA COc1cc(CNC2CCN(C(C)=O)CC2)cc(OC)c1 213112 CGJJWDFSTLXAEK-UHFFFAOYSA-N 292.379 1.804 0 50 CDAA COc1ccc(N2C(=O)C(Cl)=C(N(C)C)C2=O)cc1 272205 USIGKEHYVFLATO-UHFFFAOYSA-N 280.711 1.580 0 50 CDAA Cc1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1 407186 HHOZGRMPBPWWPL-UHFFFAOYSA-N 257.311 1.137 0 50 CDAA O=C(O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 1926530 BNLRFDSBHGEBCW-HNNXBMFYSA-N 298.342 1.615 0 50 CDAA Cc1noc(C)c1CN1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356136520 XZDKAUFPBSZOSN-QPSCCSFWSA-N 278.352 1.263 0 50 CDAA CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)O 2541678 DJZCWTDKDFJARG-IUCAKERBSA-N 261.318 1.371 0 50 CDAA O=C(Nc1cccc(Cl)c1)N[C@H]1CCS(=O)(=O)C1 4154862 MWZNRGCPIMCASS-JTQLQIEISA-N 288.756 1.649 0 50 CDAA CCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccc(OC)cc1OC 4235156 VXQYLXZYPLXLNR-FZMZJTMJSA-N 293.319 1.698 0 50 CDAA CCN(CC)CC(=O)Nc1ccsc1C(=O)OC 4625614 UITPLTBNSRIXCZ-UHFFFAOYSA-N 270.354 1.815 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(Cc2cc(C(C)(C)C)on2)C1 352092913 LLNJITKDRCIBND-NWDGAFQWSA-N 268.357 1.554 0 50 CDAA O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cccnc1 225420145 RTQPJBXODJFXKN-UHFFFAOYSA-N 272.308 1.951 0 50 CDAA O[C@@H]1C[C@@H](c2cccc(F)c2)N(c2nccn3cnnc23)C1 225647241 ZWALGQZEZXLVNH-OLZOCXBDSA-N 299.309 1.576 0 50 CDAA COCCNC(=O)[C@@H](C)Oc1ccccc1OC 8049465 VSHXBKIZMBDOBJ-SNVBAGLBSA-N 253.298 1.225 0 50 CDAA Cn1c(=O)oc(=O)c2cc(Br)ccc21 8731217 DPPLNMPUIUGPAO-UHFFFAOYSA-N 256.055 1.254 0 50 CDAA C=CC(=O)N(C)CC(=O)N(CC)[C@@H]1CCOC(C)(C)C1 861753766 CUMLHYAVMMFETE-GFCCVEGCSA-N 282.384 1.437 0 50 CDAA CC(C)CN1CCN(Cc2ccc(CO)o2)C[C@@H]1CCO 20910376 YPRFIFCEQQMYLW-AWEZNQCLSA-N 296.411 1.297 0 50 CDAA CN(C(=O)CCCn1cncn1)C1Cc2ccccc2C1 55627822 UGFSTEXKOLQYJF-UHFFFAOYSA-N 284.363 1.684 0 50 CDAA CC1=C[C@H](C)[C@@H]2C(=O)N(Cc3ccc[n+](C)c3)C(=O)[C@H]2C1 105747006 PYBDZRRKYOKDCJ-QEJZJMRPSA-N 285.367 1.598 0 50 CDAA COc1ccc2c(ccn2CCC(=O)N[C@@H](C)C(=O)O)c1 20762809 FYHZCCHNMYKNPM-JTQLQIEISA-N 290.319 1.629 0 50 CDAA biogenic CCn1cc(-c2n[nH]c(=O)n2-c2ccc(OC)cc2C)cn1 65372176 VXTGWLVTPHLXPL-UHFFFAOYSA-N 299.334 1.761 0 50 CDAA NS(=O)(=O)c1ccc(CCNCc2cccnc2)cc1 20051619 BNHRULXKZYEPBQ-UHFFFAOYSA-N 291.376 1.061 0 50 CDAA Cc1nc(C)c(CN2CCN(C)[C@@H](CCO)C2)s1 20920515 LTGUWMFENGJQDO-LBPRGKRZSA-N 269.414 1.258 0 50 CDAA CCNc1nc(C)c(C(=O)N2CCN[C@@H](CC)C2)s1 67908764 XWMYNEHJOWSLIG-JTQLQIEISA-N 282.413 1.707 0 50 CDAA NNC(=S)NCc1ccc(OC(F)(F)F)cc1 67800239 TXXWOXLMCGLVCB-UHFFFAOYSA-N 265.260 1.423 0 50 CDAA Cc1cc(C(=O)O)ccc1NS(=O)(=O)N1CC[C@@H](C)C1 349779026 SIRBFOICSYULMS-SECBINFHSA-N 298.364 1.692 0 50 CDAA CC1=C(C(=O)N(C)CCN2CCCCCC2)OCCO1 1506405830 XBTSUXROCVWWGI-UHFFFAOYSA-N 282.384 1.599 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@H]2C)C1 252201572 WJUQWECSDFDYHF-IZMFDJJNSA-N 278.396 1.842 0 50 CDAA COCc1nc2ncc(C(C)=O)c(/C=C/N(C)C)n2n1 66324804 NJFKNWBQIXBURS-AATRIKPKSA-N 275.312 1.006 0 50 CDAA COCc1ncc(-c2nc3ccc(C(=O)O)cc3[nH]2)cn1 67894516 NUPHEWPAQZXRRO-UHFFFAOYSA-N 284.275 1.865 0 50 CDAA C[C@H](CCn1cccn1)NCc1ccc2nonc2c1 65461950 AVOQAWZRUUBTRM-LLVKDONJSA-N 271.324 1.988 0 50 CDAA CN(Cc1nc(-c2cccnc2)no1)C[C@@H]1CCOC1 178345448 GQXOGMWYVXLSBW-NSHDSACASA-N 274.324 1.600 0 50 CDAA CCc1cc(CN(C)Cc2ccc(CO)o2)on1 65470767 GSWONWJRGGDNAS-UHFFFAOYSA-N 250.298 1.954 0 50 CDAA OCC1(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)COC1 121086010 KANMKIHTKLQCQH-SMDDNHRTSA-N 299.317 1.081 0 50 CDAA O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1 56964 VPWNQTHUCYMVMZ-UHFFFAOYSA-N 250.275 1.931 0 50 CDAA biogenic,in-vitro Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCNC2 66323505 JSFPYLFUXQZLMM-UHFFFAOYSA-N 281.319 1.783 0 50 CDAA c1cn2cnnc2c(=Nc2ccc3[nH]ccc3c2)[nH]1 356869271 URNGPVGGBGVXKI-UHFFFAOYSA-N 250.265 1.771 0 50 CDAA Cn1cnc2c(c1=O)CCN(C(=O)CC1=CCCCC1)C2 328627197 MPBDOGUVSBOFMW-UHFFFAOYSA-N 287.363 1.556 0 50 CDAA CC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccnn1C 219577641 IIJBDJANBPBLLE-SNVBAGLBSA-N 284.323 1.573 0 50 CDAA Cc1cc(F)cc(C(=O)N(C)C[C@@H](C)c2nnn[nH]2)c1 123951162 QOCBKNRZSQYQKS-SECBINFHSA-N 277.303 1.523 0 50 CDAA CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCCN1C(=O)C1CC1 128700228 AFCHKONRYIUAFW-UONOGXRCSA-N 294.395 1.415 0 50 CDAA CN(C(=O)C[C@@H]1SC(N)=NC1=O)C1CCC(C)(C)CC1 124901448 LRIHQHNXBHJSOG-JTQLQIEISA-N 297.424 1.760 0 50 CDAA Cc1cc(N2CCN(C[C@H]3CCNC3)CC2)cc(C)n1 72146125 AOAGKSJTTSTKTD-HNNXBMFYSA-N 274.412 1.430 0 50 CDAA CCc1ccc(CN(C)C(=O)c2cccc(N)n2)nc1 216388795 YGTOMFUGFYEGIA-UHFFFAOYSA-N 270.336 1.893 0 50 CDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cnc[nH]2)n1 219349677 JXVRFWFLYIGTHP-UHFFFAOYSA-N 299.256 1.499 0 50 CDAA COc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H](C)O 36638810 ARHILDOXBSUIDB-QMMMGPOBSA-N 293.772 1.316 0 50 CDAA Cc1ccc2nc(C)cc(C(=O)N3C[C@H](O)CO3)c2c1 77344298 IPKLTSZVRCTMJD-NSHDSACASA-N 272.304 1.600 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@@H]1C(=O)O 36974839 HUWZMACKZFCRJS-CYBMUJFWSA-N 293.367 1.435 0 50 CDAA CN(CC(F)F)C(=O)[C@@H]1Cc2ccccc2CN1 129320491 FRYAMWYLRZLLCK-NSHDSACASA-N 254.280 1.424 0 50 CDAA CCOC(=O)N1CCN(C(=O)c2cnn(C(C)C)c2)CC1 72436652 XMHIOILQUFYZFQ-UHFFFAOYSA-N 294.355 1.378 0 50 CDAA CCOC(=O)c1cc(I)cnc1N 225804469 AUERJZVFGXIAMG-UHFFFAOYSA-N 292.076 1.445 0 50 CDAA COC(=O)C[C@H]1CCCN1C(=O)c1ccc(N(C)C)cc1 178884629 WNEWBSCLBJOLKC-CQSZACIVSA-N 290.363 1.920 0 50 CDAA COCCn1cncc1CNC(=O)[C@H]1CCc2ccccc21 426431031 OPGGFEBZRGBBHX-INIZCTEOSA-N 299.374 1.876 0 50 CDAA O=C(c1cccc(-c2cnc[nH]2)c1)N1CCN2CCC[C@@H]2C1 426389210 DVSNCZBLSHQMIV-OAHLLOKOSA-N 296.374 1.997 0 50 CDAA COc1ccsc1C(=O)N1CCC(C(=O)O)CC1 161364689 FRBHEFQQURKEGM-UHFFFAOYSA-N 269.322 1.694 0 50 CDAA Fc1ccc(O[C@H]2CCOC[C@H]2NC2CCNCC2)cc1 220401006 RJHQFWOKFLCOSR-CVEARBPZSA-N 294.370 1.704 0 50 CDAA Cc1cc(=O)cc(C(=O)N(C)CCC[C@H]2CCCO2)[nH]1 426527056 VHYOWQPDIJQWOA-ZDUSSCGKSA-N 278.352 1.715 0 50 CDAA CCc1cnc(NCCS(=O)(=O)CC(C)C)nc1 95358533 DVNYBMALFDOCKW-UHFFFAOYSA-N 271.386 1.522 0 50 CDAA COCCC[C@@]1(CO)CCCN(Cc2cncnc2)C1 91997287 MFKINGQAKQCGHD-HNNXBMFYSA-N 279.384 1.478 0 50 CDAA COC(=O)c1ncc2c(Br)c[nH]c2n1 238423359 PCVIPDFMIIGETG-UHFFFAOYSA-N 256.059 1.507 0 50 CDAA CC[C@]1(CO)CCCN(C(=O)CN2CCCC2)C1 91593972 UJLTYAHEEFACQO-AWEZNQCLSA-N 254.374 1.093 0 50 CDAA COc1ccnc(Cn2cccc(OC)c2=O)c1OC 95501042 GIKHQZPVIMPETP-UHFFFAOYSA-N 276.292 1.317 0 50 CDAA COC(=O)c1cc(Br)c2c(c1)nnn2C 95496078 NHALTCGLXRMQNZ-UHFFFAOYSA-N 270.086 1.517 0 50 CDAA COc1ncccc1NC(=O)c1cc(=O)c(OC)co1 336884925 ISPKLBZDRVCQML-UHFFFAOYSA-N 276.248 1.304 0 50 CDAA CCCN1C[C@H](Nc2nc3c(s2)c(C)nn3C)CC1=O 95515382 XYDZUQTVKZQYBJ-SECBINFHSA-N 293.396 1.761 0 50 CDAA CO[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2C)C1 336087051 ZKFNWTDUOHDOAP-SNVBAGLBSA-N 275.395 1.774 0 50 CDAA COc1cccc2c1OC[C@H](Cc1ncccc1C(N)=O)C2 95380695 WPTKTHGSTXKQTN-NSHDSACASA-N 298.342 1.983 0 50 CDAA CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(CN)C2 238790017 CYQXYSAXULWVNH-IWIIMEHWSA-N 256.346 1.238 0 50 CDAA COc1ccccc1OCCCN1C(=O)CCNC1=O 95509501 SSVAZPKZQZKZGV-UHFFFAOYSA-N 278.308 1.406 0 50 CDAA Cc1nc(NCC2CCOCC2)cc([C@H]2C[C@@H](O)C2)n1 244899760 ZPPVSEJJWFCCAO-BETUJISGSA-N 277.368 1.862 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1nc2cc(C)ccc2[nH]1 240825213 QOCAAQZKKGRJMT-CHWSQXEVSA-N 289.335 1.405 0 50 CDAA CCO[C@@H]1C[C@H](N[C@H]2CCN(C)C2=O)C1(CC)CC 245338987 PUUCDHAYXHDYSL-RWMBFGLXSA-N 268.401 1.791 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1cccnc1 245231903 MIOMIXVYYIJMDC-SNIKSBKOSA-N 266.300 1.639 0 50 CDAA Nc1nc(NCc2n[nH]c3c2CCC3)cc([C@H]2C[C@@H](N)C2)n1 252527844 DMHAPOQOXFOWTH-DTORHVGOSA-N 299.382 1.087 0 50 CDAA Cc1noc([C@H]2CN(CCn3cccn3)C[C@@H](C)O2)n1 625908612 MKNZOEZMOZRFBX-ZYHUDNBSSA-N 277.328 1.037 0 50 CDAA O=C(c1cc[nH]c1C1CC1)N1CCC[C@H]1Cn1ccnn1 299741330 DUCQTUAZPAUKBD-LBPRGKRZSA-N 285.351 1.788 0 50 CDAA CC[C@@H]1CN(C(=O)[C@H](N)c2ccccc2)C[C@H](C)O1 299747988 FSENOTCKPFGQDB-IACUBPJLSA-N 262.353 1.712 0 50 CDAA C[C@H]1CN(C(=O)C[C@H](C)c2ccncc2)C[C@@H](C)N1 299739470 OVJBBFJMLBVGIF-RWMBFGLXSA-N 261.369 1.784 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@]23C=CC=C[C@@]12CCCC3 257359069 YDFXUIYQZSXHTD-WRFANHODSA-N 297.358 1.687 0 50 CDAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1C[C@@H]1C1CCCCC1 299747573 DGCZTWJFIMDDIT-KGLIPLIRSA-N 296.411 1.678 0 50 CDAA Cc1nc2ccc(CC(=O)NCC[C@H]3CCOC3)cc2[nH]1 534641416 JRFNGTIYPBVVIN-LBPRGKRZSA-N 287.363 1.957 0 50 CDAA O=C(CN1CCCC1=O)NCc1ccc2c(c1)CCCO2 534649416 OWJNHHUUQXQURS-UHFFFAOYSA-N 288.347 1.250 0 50 CDAA COC[C@@H](NC(=O)CCc1cnn(C)c1)c1ccccn1 534591352 OMCKURCXCGVSMY-CQSZACIVSA-N 288.351 1.252 0 50 CDAA CC[C@@H](NC(=O)CCn1cccn1)c1ncnn1CC 534639273 UYGUMXNYQSVNIW-LLVKDONJSA-N 276.344 1.152 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2F)C1 268928502 XEJKWRLRLAQQHL-DMDPSCGWSA-N 293.294 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276.315 1.298 0 50 CDAA CC(C)n1cnnc1CC(=O)Nc1cccc(F)c1O 1875284731 JMKHOOXWVTZZON-UHFFFAOYSA-N 278.287 1.885 0 50 CDAA O=C(CN1CCc2sccc2C1)N[C@@H]1CC12CC2 1875266395 LHHOROOWGFZJEX-GFCCVEGCSA-N 262.378 1.775 0 50 CDAA COC(=O)c1nccc(N2CCN(C)[C@@H](C(C)(C)C)C2)n1 874435001 ISHVKZQVBBNJPC-LLVKDONJSA-N 292.383 1.430 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H](C)c1sc(C)nc1C 1875366184 ABMQKGGHANYAPA-VIFPVBQESA-N 281.381 1.582 0 50 CDAA C[C@@H]1C[C@@]12NC(=O)[C@@H](c1ccc(F)c(Cl)c1)NC2=O 1875319743 PSDCBXCQBRWOCC-WOJVDSEISA-N 282.702 1.545 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]3C[C@H](O)CC[C@@H]32)on1 1875307286 MLVSVWONFVKGTQ-UTUOFQBUSA-N 264.325 1.749 0 50 CDAA CCc1nc[nH]c1C(=O)NC[C@H](N)c1ccc(F)cc1F 1875312032 GLWSIWIUMRTWFO-NSHDSACASA-N 294.305 1.680 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCC(C)=C(C)C2)CC1 1875365411 RQYLHKDFIXAIQO-UHFFFAOYSA-N 276.380 1.980 0 50 CDAA COc1ccnc(N2C[C@H](OC)C[C@@H]2c2ncc[nH]2)n1 888077845 YPNHMJRQNNZKJL-NXEZZACHSA-N 275.312 1.175 0 50 CDAA CN1C[C@H](N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCC1=O 245339036 QCSIWJPUYBPFBG-AYRXBEOTSA-N 278.396 1.545 0 50 CDAA Cc1nnc(N2CC(c3ncc(C4CC4)cn3)C2)nc1C 894899964 DDLIWJCYONGXJP-UHFFFAOYSA-N 282.351 1.760 0 50 CDAA N[C@H]1CC12CCC(NC(=O)c1ccc3c(c1)CNCC3)CC2 1775961402 YGPQFYCWOZDMKC-PQUAAJSLSA-N 299.418 1.722 0 50 CDAA c1ccc(-n2ccnc2)c(CN[C@H]2C[C@@H]3COC[C@@H]32)c1 1775987918 XPBMBSVKEYVORP-ILXRZTDVSA-N 269.348 1.997 0 50 CDAA Cn1ccnc1CN1CCC(Cc2cnc[nH]2)CC1 1775985479 QCUCWTSTSSRQCD-UHFFFAOYSA-N 259.357 1.598 0 50 CDAA CCc1nnc(CN(C)C(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)o1 1565507796 PTWYKEKQXRFZSO-AXFHLTTASA-N 261.325 1.803 0 50 CDAA Cc1cnc(NCCCO[C@H]2CCOC2)nc1C 270783178 PHQMSDAXLNILJM-LBPRGKRZSA-N 251.330 1.701 0 50 CDAA CCCn1nc(C)c(C(=O)N[C@H](C)C(=O)O)c1C 170047927 SNAMGISMCVITBZ-MRVPVSSYSA-N 253.302 1.113 0 50 CDAA CC1(CNS(=O)(=O)c2cccc3cnccc23)COC1 171840395 OIEPIZIHXSCMSQ-UHFFFAOYSA-N 292.360 1.550 0 50 CDAA COc1cccc(Cl)c1CNC(=O)[C@H]1C[C@@H]1C(=O)O 188277807 HEVJIHLOFXFTIX-YUMQZZPRSA-N 283.711 1.686 0 50 CDAA CC(C)[C@@H](SC[C@@H]1CCCO1)C(=O)NC(N)=O 191766974 MKAKLOVNEDLBPP-DTWKUNHWSA-N 260.359 1.118 0 50 CDAA CN1CCN(CCNC(=O)c2cc3c(s2)CCC3)CC1 193905422 RJJHGZMINYWEFD-UHFFFAOYSA-N 293.436 1.214 0 50 CDAA CO[C@H](CS(=O)(=O)Nc1ccc(C(=O)O)cc1)C1CC1 566180136 TUIDCUFVNHROGJ-GFCCVEGCSA-N 299.348 1.552 0 50 CDAA COc1ccc2c(c1)C[C@@H](NCC(=O)NC(C)C)CC2 67919907 IKNINQVCHDITRV-AWEZNQCLSA-N 276.380 1.667 0 50 CDAA C[C@]1(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)C[C@H]2CC[C@H]1O2 575992221 VGPDGZCRDXVJIU-FTPSUIMQSA-N 279.336 1.408 0 50 CDAA CCc1cc2c(N(CC)[C@H]3CCNC3=O)ncnc2s1 579792576 VUSFZHCCEHREBR-NSHDSACASA-N 290.392 1.969 0 50 CDAA CN1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@@H]1C(F)(F)F 583620025 KBLQTVPMYXYIOE-WCBMZHEXSA-N 290.289 1.175 0 50 CDAA Cc1cc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)N(C)C2)n[nH]1 583618381 RSBCFCJRWQFELX-WCBMZHEXSA-N 290.289 1.473 0 50 CDAA Cc1noc(-c2ccnc(N3CCC[C@H](O)CC3)c2)n1 1506405077 HZVNZALYYHUGDG-LBPRGKRZSA-N 274.324 1.791 0 50 CDAA CN(Cc1ccoc1)c1nccc(N2CCC[C@H](O)C2)n1 1529186167 VYOFCGQZDJUGRA-ZDUSSCGKSA-N 288.351 1.667 0 50 CDAA c1ccc2c(c1)COCc1nnc(CCn3cccn3)n1-2 1800411214 IKEBCLDUOZMPSY-UHFFFAOYSA-N 281.319 1.737 0 50 CDAA CCOCC(=O)N1CCC[C@@]2(CCc3cnc(C)nc32)C1 1704299137 MWBKZWYFBCYLNE-MRXNPFEDSA-N 289.379 1.628 0 50 CDAA CC1CCC(N(C(=O)Cn2ncsc2=O)C2CC2)CC1 124001731 ANDMVEPKSIVUSQ-UHFFFAOYSA-N 295.408 1.875 0 50 CDAA CN(C1CCNCC1)S(=O)(=O)c1cccc(F)c1F 237126018 FDETXUDJKBBMIZ-UHFFFAOYSA-N 290.335 1.337 0 50 CDAA CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2)C1(C)C 161557152 WEEHSGKQHDRZLP-TUAOUCFPSA-N 254.374 1.400 0 50 CDAA CCOc1cccc(CC(=O)N[C@@H]2C[C@@H](N)C23CCC3)n1 1615555162 OMRFIAHZQIHKGG-CHWSQXEVSA-N 289.379 1.409 0 50 CDAA Cc1nc(C)c(F)c(N(C)CCc2ncccn2)n1 1615547783 DLYRFRMQDWDHQB-UHFFFAOYSA-N 261.304 1.701 0 50 CDAA COc1ccc(C(=O)NC(C)(C)[C@H](O)C(F)(F)F)o1 1615549591 RTUWCPIVTZOJPX-VIFPVBQESA-N 281.230 1.720 0 50 CDAA C[C@H](C1CC1)N(C)S(=O)(=O)Cc1ccc2nonc2c1 1615605291 JZOHPNQXCRAGLB-SECBINFHSA-N 295.364 1.783 0 50 CDAA C[C@@H](NC(=O)CSc1nncn1C)c1ccccc1 5126735 DGQPPDOJSKLOPA-SNVBAGLBSA-N 276.365 1.785 0 50 CDAA CCCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 16603155 ONEWBYROKIVRCR-UHFFFAOYSA-N 276.336 1.583 0 50 CDAA O=C(c1cccc(F)c1)N1CCC(N2CCOCC2)CC1 19885567 CHGQAWXILJBOEP-UHFFFAOYSA-N 292.354 1.763 0 50 CDAA COc1ccc(NC(=O)NCCCN2CCOCC2)cc1 19893272 UWXFNOSHRDUUTR-UHFFFAOYSA-N 293.367 1.539 0 50 CDAA CSCC[C@@H](CO)NC(=O)c1cc(CC(C)C)n[nH]1 155004645 XAVIHKVMWMXONO-JTQLQIEISA-N 285.413 1.452 0 50 CDAA COc1cnc(C)cc1C(=O)N[C@@H](C)c1n[nH]c(=N)s1 1857678156 UJPQNWIWPSHVPW-ZETCQYMHSA-N 293.352 1.154 0 50 CDAA Cn1cccc(C(=O)NCc2ccc3cc[nH]c3c2)c1=O 1857677266 UBERDYFYAMPUHT-UHFFFAOYSA-N 281.315 1.797 0 50 CDAA O=C(N[C@@H]1CCCOC12CCNCC2)c1cscn1 1857684085 YTGZCECMTULJNW-LLVKDONJSA-N 281.381 1.174 0 50 CDAA Cc1nc(N2C[C@@H]3CNC(=O)C[C@@H]3C2)c2ccccc2n1 1857707087 YZNNEQTYKHPJEG-NEPJUHHUSA-N 282.347 1.511 0 50 CDAA CNC(=O)c1cccc(NC(=O)[C@H](N)Cc2ccccc2)c1 315041154 PVDQHZDYXUZDHK-OAHLLOKOSA-N 297.358 1.555 0 50 CDAA CN1CCc2ccc(NC(=O)c3cnn(C)c3)cc2C1=O 123118665 JKVSWJVCRDFGJB-UHFFFAOYSA-N 284.319 1.301 0 50 CDAA C[C@H]1CCN(Cc2cccc3c2CCOC3)[C@H](C(N)=O)C1 639599688 VBVYYPWOOKGADI-LRDDRELGSA-N 288.391 1.845 0 50 CDAA CC(C)(C(N)=O)c1nc(C2(c3ccncc3)CCC2)no1 656034406 CJSBGEMMPUGFIW-UHFFFAOYSA-N 286.335 1.698 0 50 CDAA O=C(CN1CCNCC1)c1ccc(Br)cc1 19673215 NOYCWKDPKBQIKR-UHFFFAOYSA-N 283.169 1.537 0 50 CDAA in-vitro COc1ccc2c(c1)CCN(C(=O)CCc1ncc[nH]1)CC2 576851107 GQXNFHWUQLVPRC-UHFFFAOYSA-N 299.374 1.978 0 50 CDAA CC(C)(C)OC(=O)N1CCC(C(=O)O)(n2cccn2)CC1 36379558 WPLWDUSUZDMDDB-UHFFFAOYSA-N 295.339 1.694 0 50 CDAA in-vitro COC(=O)[C@](C)(O)CNC(=O)Cc1c(C)cc(C)cc1C 390834206 UOLQZFCCWMPFOB-MRXNPFEDSA-N 293.363 1.195 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1ccc2c[nH]nc2c1 818629522 GTLIGSWRCGXDRG-HNNXBMFYSA-N 289.335 1.629 0 50 CDAA CN(C)S(=O)(=O)c1ccc2oc(=O)ccc2c1 12420610 HFTBAPJFVDEXJP-UHFFFAOYSA-N 253.279 1.043 0 50 CDAA O=C(O)Cn1ccc2cc(NC(=O)[C@H]3C[C@@H](O)C3)ccc21 909187481 NYEGSYLILZEGFK-KLPPZKSPSA-N 288.303 1.435 0 50 CDAA CC1=C(C)C[C@](C)(C(=O)NCc2nc(CO)n[nH]2)CC1 826960381 OEEAWHPLMMKTPM-CQSZACIVSA-N 278.356 1.440 0 50 CDAA O=C(Cc1ccc2c(c1)CCO2)Nc1ncccc1CO 827329278 NCTLXZLZYJKPDD-UHFFFAOYSA-N 284.315 1.690 0 50 CDAA CC[C@H]1C(=O)NCCCN1Cc1cnn(-c2ccccc2)n1 933225878 CMCOJSCQTBYLFW-HNNXBMFYSA-N 299.378 1.368 0 50 CDAA O=C(Nc1cnc2c(c1)CNC2=O)NC1(C2CCC2)CC1 934970179 USNDRTDLJDZHHZ-UHFFFAOYSA-N 286.335 1.779 0 50 CDAA COC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccccc1)C(C)C 2863031 MSZVLAXBPNAMJD-DGCLKSJQSA-N 279.336 1.768 0 50 CDAA CC(C)(C)n1cc(CN[C@@H]2CCCOCC2)nn1 252490141 KKATUHRTFIIPSG-LLVKDONJSA-N 252.362 1.692 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1 237453689 CELMSMDMGGSZNX-JQWIXIFHSA-N 272.352 1.762 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCCOC2)cc(O)n1 180141269 WAFYFBWMQUPUDL-SNVBAGLBSA-N 250.298 1.252 0 50 CDAA CCc1nnc(CN2CCO[C@H]3CCN(C)C[C@@H]32)s1 328590969 RWVQRGUSPMUIRC-QWRGUYRKSA-N 282.413 1.005 0 50 CDAA O[C@@H]1CC[C@@H]2CN(Cc3ccc4c[nH]nc4c3)C[C@@H]21 329639066 YYZJWSDKPCPQPW-VNHYZAJKSA-N 257.337 1.766 0 50 CDAA COCc1nc(CN2CCC[C@H](n3cncn3)C2)cs1 331876343 UJYNHZATNJMPOP-LBPRGKRZSA-N 293.396 1.718 0 50 CDAA COc1ncc(CN2CCC[C@@H](CCC(=O)O)C2)cn1 824851769 DSAYQGJXZMMBLD-NSHDSACASA-N 279.340 1.562 0 50 CDAA C[C@H](N[C@H](C)Cc1ccc(O)cc1)C1(O)CCOCC1 2325773680 NSWNGKYXUCPQHM-OLZOCXBDSA-N 279.380 1.843 0 50 CDAA C[C@H]1CCCN1CC(=O)N1CC(c2n[nH]c3c2CCC3)C1 2325803401 FCZZNQKOAFXRNC-NSHDSACASA-N 288.395 1.309 0 50 CDAA CCC(=O)N[C@@H]1CCCO[C@H]1c1cnn(CC)c1 952879023 LJJRXOHGJSZORD-YPMHNXCESA-N 251.330 1.649 0 50 CDAA COc1ccc(N2C(=O)C[C@@H]([C@H]3CCCO3)C2=O)cc1 250887 GHVBNWMNHPAMCU-QWHCGFSZSA-N 275.304 1.754 0 50 CDAA O=CN[C@H](c1ccccc1)n1nnc2ccccc21 332067 SQUKXAOOVLZYMQ-AWEZNQCLSA-N 252.277 1.724 0 50 CDAA Cc1cccc(-n2ncc3c(N4CCOCC4)ncnc32)c1 334932 MSVZBRIGZKVLLO-UHFFFAOYSA-N 295.346 1.961 0 50 CDAA CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccccc1 379232 HSJFCRCALWIOFX-UHFFFAOYSA-N 290.344 1.611 0 50 CDAA Nc1nncn1C(=O)COc1ccc(Cl)cc1Cl 467205 NUBDEWAMQBXSBS-UHFFFAOYSA-N 287.106 1.886 0 50 CDAA COc1cc(OC)c(C=O)c(OC(=O)N(C)C)c1 614522 PIOSLOSWDHXZAU-UHFFFAOYSA-N 253.254 1.577 0 50 CDAA CC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(C)=O 1304649 WTEMYUWYDPNDCL-AWEZNQCLSA-N 263.293 1.248 0 50 CDAA O=C(COC[C@H]1CCCO1)Nc1ncc(F)cc1F 2356137783 ZLMNVOQUQFAPLW-SECBINFHSA-N 272.251 1.494 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCn3nnnc32)CC1 2356142062 BUYWSHMDEBMWCW-IJLUTSLNSA-N 293.371 1.014 0 50 CDAA NC(=O)COc1ccccc1OCc1cccc2ncnn12 2356144181 MEGFQCVLVPEUNT-UHFFFAOYSA-N 298.302 1.172 0 50 CDAA O=C(NC[C@@H](O)c1ccccc1)C(=O)Nc1ccccc1 2942900 WFJMVNINHWUHKT-CQSZACIVSA-N 284.315 1.475 0 50 CDAA COc1ccc(CNC(=O)CSc2ncn[nH]2)cc1 6498339 ZPYHTTUHCSTSHR-UHFFFAOYSA-N 278.337 1.222 0 50 CDAA COc1nnc(NC(=O)NCC(F)(F)F)s1 225479890 HVCKAUJTWZYKBH-UHFFFAOYSA-N 256.209 1.231 0 50 CDAA CONC(=O)C(=O)Nc1ccccc1CC(F)(F)F 134768371 IQLLEYVIQBCSLF-UHFFFAOYSA-N 276.214 1.408 0 50 CDAA CSCCCNC(=O)c1nccn2cc(C)nc12 346026161 ZRIDWAFWOIXZOX-UHFFFAOYSA-N 264.354 1.521 0 50 CDAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc2c(c1)OCCO2 101710717 DJHCEILBTIOMCI-CHPZLBCBSA-N 299.326 1.993 0 50 CDAA Cc1cc(-c2nn3c(-c4ccccn4)nnc3s2)[nH]n1 22504322 WSWLCICBIRNZEB-UHFFFAOYSA-N 283.320 1.946 0 50 CDAA CCc1c(C(=O)N[C@H]2CCNC2)cnn1CC(C)C 422743367 IHYMFBDZLYYKID-NSHDSACASA-N 264.373 1.193 0 50 CDAA O=C(C1=Cc2ccccc2OC1)N1CCc2[nH]ncc2C1 124435483 NORLDCSGMNBGCF-UHFFFAOYSA-N 281.315 1.770 0 50 CDAA CCc1ccc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)o1 252537674 MAIUAAOVLDGJSY-QWHCGFSZSA-N 266.385 1.729 0 50 CDAA CCCn1ncc(C(=O)NCc2nnc(CC)s2)c1C 65528785 MKAZYBPCIICHIP-UHFFFAOYSA-N 293.396 1.945 0 50 CDAA CC(=O)N1CCC(N(C)Cc2noc(CC(C)C)n2)CC1 65393570 RLXGJQBKVIQCEK-UHFFFAOYSA-N 294.399 1.711 0 50 CDAA CC[C@H](C)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 253415656 WRUQIZGODQCBFJ-COZVLRSRSA-N 251.370 1.093 0 50 CDAA O=C(NOCc1cccnc1)[C@H]1COc2ccccc21 152288277 HNIXISVGLJHFCG-ZDUSSCGKSA-N 270.288 1.806 0 50 CDAA Cc1nnc([C@@H](C)N2CCC[C@H]2Cn2cccn2)o1 257365777 MCSQZTOYIQRHOU-PWSUYJOCSA-N 261.329 1.800 0 50 CDAA CC(C)OCCCN1CCO[C@@H](c2nncn2C)C1 328651473 VYBVEKAZWLNGHC-GFCCVEGCSA-N 268.361 1.004 0 50 CDAA Cc1ocnc1C(=O)N1CCO[C@H](CN(C)CC2CC2)C1 328653892 XBIYVPCNYCBYCO-CYBMUJFWSA-N 293.367 1.166 0 50 CDAA CC(=O)NCCNc1nccc(-c2ccc(C)nc2C)n1 71754286 LKTLCWXCQZFEIL-UHFFFAOYSA-N 285.351 1.703 0 50 CDAA Cc1noc(COCC(=O)N2CC3(CCC3)[C@H]2C2CC2)n1 365746839 NLZZVTVRQUFUJN-CQSZACIVSA-N 291.351 1.686 0 50 CDAA OC1(c2nc(C[C@@H]3CCCO3)no2)Cc2ccccc2C1 364636433 NAKGBDLRENNTRL-ZDUSSCGKSA-N 286.331 1.778 0 50 CDAA COCc1nc(CN2C[C@@H](CO)Cc3ccccc32)no1 366376242 KBLFTRKITIVRDC-NSHDSACASA-N 289.335 1.387 0 50 CDAA Cc1ccc(OC2CN(C(=O)Cn3ccc(=O)cc3)C2)cc1 218978002 TVOJAIOEZVZMHG-UHFFFAOYSA-N 298.342 1.447 0 50 CDAA CN1CC[C@@H](CNC(=O)CSC(C)(C)C)CC1=O 521395801 LDBFYDUABROVGK-SNVBAGLBSA-N 272.414 1.503 0 50 CDAA O=C(NCc1ccn2ccnc2c1)[C@@H]1C[C@H]1C1CCNCC1 377816476 HGCJHTBCCIHYHY-LSDHHAIUSA-N 298.390 1.586 0 50 CDAA CC(C)CN1CCN(Cc2ccncc2)C[C@@H]1CCO 71750966 VUSIRGSVBFXBFO-INIZCTEOSA-N 277.412 1.606 0 50 CDAA O=C(Cc1ccon1)N1CCN(Cc2ccco2)CC1 331863095 RAGYTFKOGXWZTC-UHFFFAOYSA-N 275.308 1.155 0 50 CDAA CC(C)(C)[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 336609757 FSHULJWTLDXVEJ-RYUDHWBXSA-N 266.385 1.797 0 50 CDAA Cc1cc(CC(=O)N2CCCC[C@@H]2c2nc(C)no2)on1 218988425 BVCLKBUSPWHIRA-GFCCVEGCSA-N 290.323 1.971 0 50 CDAA N[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2O)C1 157705927 XWBHOFPTELWNRO-LLVKDONJSA-N 286.335 1.141 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCNC2)C[C@H](c2ccsc2)O1 262614931 CTGMZQJQAYGQDW-NQBHXWOUSA-N 280.393 1.646 0 50 CDAA Cc1ccc(CNC(=O)C[C@@H]2CCCC(=O)N2)cc1F 377159626 SLUACWCPFMJJHM-LBPRGKRZSA-N 278.327 1.809 0 50 CDAA O=C(c1ccc(F)cn1)N1CC[C@@H](Oc2ccncc2)C1 337016009 QXBOTJCPJZKPHQ-CYBMUJFWSA-N 287.294 1.909 0 50 CDAA CCCc1cc(N[C@@H](C)Cn2cncn2)n2nccc2n1 72423341 GLTSPVMMUIBXFS-NSHDSACASA-N 285.355 1.774 0 50 CDAA COCCOCC(=O)N1CC(Oc2ccc(F)cc2)C1 219965177 SVDNBRJUVPQASQ-UHFFFAOYSA-N 283.299 1.078 0 50 CDAA Cc1cc(S(=O)(=O)N2CCN[C@@H](C)C2)ccc1F 237693952 QYFVFOUZKRQRFB-JTQLQIEISA-N 272.345 1.117 0 50 CDAA Cn1c(=O)cc(C(=O)N2CCSCC2)c2ccccc21 216530515 DGRXCKBGAJVZOP-UHFFFAOYSA-N 288.372 1.728 0 50 CDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)C1[C@H]2CCC[C@H]12 238083260 KBVUTZYJLHVGTP-SRVKXCTJSA-N 281.352 1.515 0 50 CDAA Cc1cccc2c1C[C@H](C(=O)N1CCN(C)CC1)O2 336231083 NYTOUGFPRDJGJC-CQSZACIVSA-N 260.337 1.073 0 50 CDAA Cc1nc(NCCc2ncc[nH]2)c2cnn(C)c2n1 72153065 QESASVUTBIHQFI-UHFFFAOYSA-N 257.301 1.049 0 50 CDAA O=C(CCc1ccccc1Cl)N[C@@H]1CCCNC1=O 49499597 VGETXRHYOGJKBH-GFCCVEGCSA-N 280.755 1.667 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)NCc1cc(=O)[nH]cn1 82039441 BKIHWWAUBJDRJQ-UHFFFAOYSA-N 292.364 1.588 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)NCC1(C)COC1 83519831 QDRDAXLQNZYLHC-UHFFFAOYSA-N 265.357 1.122 0 50 CDAA COc1ccccc1CNC(=O)CN1CCC(CO)CC1 47958742 MZLCUWMPLKMNCJ-UHFFFAOYSA-N 292.379 1.016 0 50 CDAA CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@H](C)C(=O)O 263568994 YYLCVLCBXIASKQ-QWHCGFSZSA-N 290.363 1.835 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)O)cc1 263571044 IXBSYDNOWOWEBQ-CQSZACIVSA-N 290.363 1.731 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)NCCc1cc(F)cc(F)c1)C2 1553445986 PSHJSYNWKMSIOQ-NHYWBVRUSA-N 295.333 1.640 0 50 CDAA COCCn1cncc1CNC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 426443495 XSMWRQQCMIQBBP-OPTZYUCBSA-N 289.379 1.438 0 50 CDAA CCCN(CCOC)C(=O)N[C@@H](C)c1n[nH]c(C)n1 426578590 LGCGCYPCOZXDMT-VIFPVBQESA-N 269.349 1.242 0 50 CDAA CN1CCC(CC(=O)N2CC(c3ccncc3)C2)CC1 426493277 SVKLPGQCEQAHRL-UHFFFAOYSA-N 273.380 1.739 0 50 CDAA Cc1cnccc1N1CCCN(C(=O)[C@@H]2CCOC2)CC1 82107314 DNXHWEBWEYUAIA-CQSZACIVSA-N 289.379 1.465 0 50 CDAA COCCCCN1CCN(c2ccncn2)CC1 92046095 ANPIOLFUBPODQL-UHFFFAOYSA-N 250.346 1.025 0 50 CDAA CCCc1cc(C(=O)N2CC(c3cccnc3)C2)[nH]n1 91736372 FJACVECWFOIQSH-UHFFFAOYSA-N 270.336 1.997 0 50 CDAA O=C1CCc2ccccc2N1CCCn1cnnn1 95524431 KSCNOVMGBXUPMF-UHFFFAOYSA-N 257.297 1.043 0 50 CDAA O=C(NCCCN1CCCCCC1=O)c1ccon1 619981953 LPVXLSBVSNYYHG-UHFFFAOYSA-N 265.313 1.197 0 50 CDAA OCCCNc1ncnc2c1Cc1ccccc1OC2 97528968 METWCALFTSVUBC-UHFFFAOYSA-N 271.320 1.754 0 50 CDAA CCN1CCCC[C@H]1C(=O)NCCc1ccco1 97766679 WUJYVXNXPCXHNO-ZDUSSCGKSA-N 250.342 1.813 0 50 CDAA Cc1nc(N)nc(NCc2nc[nH]c2C)c1CCC(=O)O 95365589 AAAQRFKQPWQDHE-UHFFFAOYSA-N 290.327 1.028 0 50 CDAA CNC(=O)Cn1cc(-c2cc3ccccc3n2C)cn1 96154127 VCDSNPPRCRHZTR-UHFFFAOYSA-N 268.320 1.788 0 50 CDAA CN(Cc1noc(C2CC2)n1)C(=O)Cc1cccc(O)c1 622719203 YWYOTIITOGUTOX-UHFFFAOYSA-N 287.319 1.854 0 50 CDAA OC[C@@H](Nc1cc([C@H]2C[C@@H](O)C2)ncn1)c1ccccc1 252550875 SZNARWBSVFIIMD-VNHYZAJKSA-N 285.347 1.860 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1ccc(C(=O)O)o1 299739688 AAWBKQDWDCGUQM-MRVPVSSYSA-N 253.254 1.021 0 50 CDAA CN(CCOc1ccccc1F)C(=O)[C@]1(F)CCNC1 299738635 DJLWVEUCSJJBMK-AWEZNQCLSA-N 284.306 1.365 0 50 CDAA C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1N1CCOCC1 253421566 YAMUDUHUQJWTNX-WDEREUQCSA-N 290.354 1.457 0 50 CDAA CC(C)C[C@@H](NC(=O)c1c[nH]c(=N)s1)c1ncnn1C 534590747 VBCBSAXUPWBHSH-MRVPVSSYSA-N 294.384 1.201 0 50 CDAA CN(C)c1ccncc1CNC[C@H]1CN(C2CC2)CCO1 185190533 PUTRYMJMBRUIGE-HNNXBMFYSA-N 290.411 1.100 0 50 CDAA CN1CCN(Cc2sccc2Cl)C[C@H]1CCO 299872901 CJLMXSNFETVJAA-SNVBAGLBSA-N 274.817 1.900 0 50 CDAA C[C@@H](NC(=O)CSc1nncn1C)c1ccsc1 801116520 XWELZEHQMBVXGN-MRVPVSSYSA-N 282.394 1.846 0 50 CDAA O=C(Nc1cccnc1O)N1CCC(c2cc[nH]n2)CC1 299791450 FSLNAFLHTABEIE-UHFFFAOYSA-N 287.323 1.922 0 50 CDAA CCCCn1nc(C)cc1NC(=O)N[C@H]1CCNC1=O 299776262 MHENDRLUBONIRJ-JTQLQIEISA-N 279.344 1.002 0 50 CDAA NC[C@@H]1Cc2cc(-c3ccc(C(N)=O)cn3)cc(F)c2O1 299770683 VAPSUGSECGZISA-NSHDSACASA-N 287.294 1.249 0 50 CDAA CCCn1nccc1S(=O)(=O)N[C@H](C)c1ncc(C)[nH]1 584901985 CBSJMZQNODDJKQ-SNVBAGLBSA-N 297.384 1.364 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)Cc1ccccn1 584885946 QOCCYXBCVKMNLQ-UHFFFAOYSA-N 263.341 1.045 0 50 CDAA CCCn1cc(C(=O)N2CC[C@]3(C(=O)O)CCC[C@@H]23)nn1 1550382556 RIYARKJPZKCHKI-BXUZGUMPSA-N 292.339 1.158 0 50 CDAA O[C@@H](Cc1ccccc1)c1cn(C2CCNCC2)nn1 696326474 UTCQLLGCHPPEIG-HNNXBMFYSA-N 272.352 1.479 0 50 CDAA Cc1c(CNC(=O)[C@H]2CCC[C@H]3CCCN32)cnn1C 1875268798 DZHMOBPAMORGPU-UONOGXRCSA-N 276.384 1.362 0 50 CDAA Cc1cc(Cn2cc(CNc3nccs3)nn2)no1 1875269004 NPQWMMBGJSNJCX-UHFFFAOYSA-N 276.325 1.691 0 50 CDAA CC1(C)C[C@@H](NCC2(n3cncn3)CC2)C(C)(C)O1 1875397312 VNOVEMSUZYRAAB-LLVKDONJSA-N 264.373 1.703 0 50 CDAA O=C(Cc1c[nH]c2ccc(F)cc12)Nc1nccc(O)n1 1875344273 AODCCLMRJSHLSF-UHFFFAOYSA-N 286.266 1.984 0 50 CDAA CC(C)C[C@@H]1COCC[C@@H]1NC(=O)/C=C/CN(C)C 1875376655 FBNJYJBFCNXUFI-IHDARNGBSA-N 268.401 1.672 0 50 CDAA C=CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1875370028 XZGCMIFUODVQHB-VXGBXAGGSA-N 298.383 1.297 0 50 CDAA CNC(=O)C[C@H](C)N(C)C(=O)c1c(C)[nH]c(C(C)=O)c1C 952967148 JRLZJDHKNRYLTC-QMMMGPOBSA-N 293.367 1.431 0 50 CDAA Cc1cnn([C@@H]2[C@@H](Nc3ncnc4[nH]ccc34)C[C@H]2O)c1 886079075 FMFRKKRNRSWZEI-QJPTWQEYSA-N 284.323 1.249 0 50 CDAA COc1nc(C)ccc1-c1nnc([C@]2(OC)CCOC2)o1 886086025 PJMOHESYHROKJL-AWEZNQCLSA-N 291.307 1.711 0 50 CDAA COc1ccc(N[C@@H]2CCC[S@](=O)CC2)cn1 888095660 PNACJBXJLKKDQC-QGHHPUGFSA-N 254.355 1.803 0 50 CDAA Cc1nnc(NC2CCN(CCO)CC2)c2ccccc12 1506397353 QQPKLPHOGBJESG-UHFFFAOYSA-N 286.379 1.807 0 50 CDAA Cn1nc(C(F)(F)F)c(Br)c1C(N)=O 1772716814 ZCMGDVHBLMJKKK-UHFFFAOYSA-N 272.024 1.300 0 50 CDAA Cn1ncc(CNc2cnccc2-n2ccnn2)c1C1CC1 1334268949 DFPIYCFPPWRTBB-UHFFFAOYSA-N 295.350 1.885 0 50 CDAA COc1cccc(/C(C)=C/C(=O)N=[S@@](C)(=O)CCO)c1 1776005664 HGYDAEJPUNZGDG-BQYDLMEBSA-N 297.376 1.715 0 50 CDAA Cc1cnc2c(cnn2CC(=O)NOCC(F)F)c1 897882555 MPVXOYBCAWEFCU-UHFFFAOYSA-N 270.239 1.053 0 50 CDAA Cn1cccc(C(=O)N[C@@H]2CO[C@H]2c2ccccc2)c1=O 1365121358 SIXZJNLEEQBYTP-KGLIPLIRSA-N 284.315 1.255 0 50 CDAA CNc1cc(C(=O)N2C[C@H](C(=O)O)[C@@H](C(C)C)C2)ccn1 1565510025 UYSSDAGNKKCAQQ-NEPJUHHUSA-N 291.351 1.552 0 50 CDAA Cc1ncoc1CNC(=O)[C@H]1COc2ccccc2C1 1363041991 ILIGHUUAVMUDFB-GFCCVEGCSA-N 272.304 1.851 0 50 CDAA O=C(NCCSC(F)(F)F)N1CCC[C@@H](O)C1 169959364 UMFNFJATBKFHCM-SSDOTTSWSA-N 272.292 1.406 0 50 CDAA CC[C@@H]1CCCN(C(=O)[C@H]2CCCCC(=O)N2)C1 170618077 PKUVGBNWUFQCOR-VXGBXAGGSA-N 252.358 1.694 0 50 CDAA CN1CC[C@@H](CNC(=O)c2cc[nH]n2)[C@@H]1c1cccnc1 583622941 IUDOUKKGOHMEAJ-JSGCOSHPSA-N 285.351 1.228 0 50 CDAA Cn1ccc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cc1=O 188707094 KSICUJFEFLLLJD-OCCSQVGLSA-N 292.379 1.566 0 50 CDAA CCO[C@@H]1C[C@@H](NCc2c[nH]c(=N)[nH]c2=N)C12CCCC2 638705738 QIMULVPUTLRXFF-VXGBXAGGSA-N 291.399 1.129 0 50 CDAA NC(=O)N1CCCN(c2nccc(C(F)(F)F)n2)CC1 407985207 MQNZKJJHLBLPFN-UHFFFAOYSA-N 289.261 1.086 0 50 CDAA COC[C@@]1(CO)CCN(Cc2cccc3c2CCOC3)C1 639666275 LMHMUZWQKXWBLP-KRWDZBQOSA-N 291.391 1.590 0 50 CDAA CNC[C@H]1CCN(C(=O)c2n[nH]c3ccc(C)cc23)C1 408525450 JJTAQOADZMHZDG-LLVKDONJSA-N 272.352 1.553 0 50 CDAA CO[C@H]1CCCN(C(=O)c2ccc(C(=O)O)s2)C1 224725221 LSKFWMPNTBILOS-QMMMGPOBSA-N 269.322 1.697 0 50 CDAA CC(C)c1nccc(N2C[C@@H]3OCCN(C)[C@@H]3C2)n1 413473872 WAOZYEJIYOJQAN-NEPJUHHUSA-N 262.357 1.119 0 50 CDAA O=C(NOCc1ccccc1)[C@@H]1CC(c2cccnc2)=NO1 191241957 LKLMMSKWOQVGGY-HNNXBMFYSA-N 297.314 1.823 0 50 CDAA C[C@](NC(=O)Cc1ccsc1)(C(N)=O)c1ccccc1 195182256 HCGXJFYBECDCSM-OAHLLOKOSA-N 288.372 1.808 0 50 CDAA OC1(c2ccc(Br)cn2)CCOCC1 197942255 HGUCUWCMPZUKER-UHFFFAOYSA-N 258.115 1.842 0 50 CDAA Cc1cccc(NC(=O)N2C[C@H](O)C[C@@]2(C)CO)c1 698199970 RGTKHWYDCANWGB-OCCSQVGLSA-N 264.325 1.345 0 50 CDAA CCCS(=O)(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 249695590 RFNYQIDRRWCEMC-AVGNSLFASA-N 272.414 1.142 0 50 CDAA COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1CCCO1 217131450 FASGGRFMWAHNAC-JTQLQIEISA-N 265.265 1.511 0 50 CDAA N[C@H]1CCCC[C@H]1CC(=O)N1CCC(CCO)CC1 401107168 GBHGPCPEQHOAFG-KBPBESRZSA-N 268.401 1.515 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)c1ccc(C)n(C)c1=O 1529089881 CHGZNTAFNSQLKR-UHFFFAOYSA-N 288.351 1.550 0 50 CDAA CCn1ncc(NC(=O)[C@]2(C)CCN(C)C2)c1C 1529146395 OEAULUASNCUJLQ-CYBMUJFWSA-N 250.346 1.492 0 50 CDAA CC[C@]1(O)CCN(C(=O)c2ccsc2)C[C@@H]1O 222523143 SACWZNCEJWEEAD-JQWIXIFHSA-N 255.339 1.096 0 50 CDAA Cc1nn(CC(=O)N(CC(=O)O)C2CC2)c(C)c1Cl 237862816 CWSGKMKEUOGGPC-UHFFFAOYSA-N 285.731 1.229 0 50 CDAA O=C(c1ccc(Br)cn1)N1CCOCC1 16124212 WTHVKZJDIPQZNG-UHFFFAOYSA-N 271.114 1.317 0 50 CDAA in-vitro CCOc1ccc(C(=O)N2CCOCC2)cc1OC 612884 HISDKAFTTOXANW-UHFFFAOYSA-N 265.309 1.566 0 50 CDAA Cc1ccc(N2Cc3nn(CC(C)C)c(=O)n3C2=O)cc1 1547201311 ZFNXSRYCLPBVME-UHFFFAOYSA-N 286.335 1.998 0 50 CDAA C[C@@]1(O)CCOC2(CCN(C(=O)C3CCC3)CC2)C1 1704357169 DDGBOHYMCITUAL-CQSZACIVSA-N 267.369 1.709 0 50 CDAA COC(=O)c1nc2c(n1C)CCN(C(=O)OC(C)(C)C)C2 260963735 RPFGWVPLIFWMFC-UHFFFAOYSA-N 295.339 1.500 0 50 CDAA CCN1CCN(c2ccc(Br)cn2)CC1 26898955 UPRFWTJUNHFOKG-UHFFFAOYSA-N 270.174 1.986 0 50 CDAA in-vitro O=C(O)[C@H]1CCCN1Cc1ccc(Br)cn1 158560408 BJERVYQRJJJDLB-SNVBAGLBSA-N 285.141 1.893 0 50 CDAA CC(F)(F)CNC(=O)[C@@H]1NCCOc2ccccc21 1615555039 XDUPBYJEUVBVBD-LLVKDONJSA-N 270.279 1.481 0 50 CDAA N[C@H]1C[C@H](NC(=O)c2cccn(C3CC3)c2=O)C12CCC2 1615552121 CCWPFTQCOPINHC-STQMWFEESA-N 287.363 1.183 0 50 CDAA Cn1cc(Nc2ncnc(F)c2Br)cn1 697105061 DZKSXFAQOJRFPR-UHFFFAOYSA-N 272.081 1.855 0 50 CDAA CCn1ccnc1CN(C)C[C@H]1CCC(=O)N(C)C1 1775983185 IJESYFKLPCUUEP-GFCCVEGCSA-N 264.373 1.203 0 50 CDAA COc1nc(N(C)CCCn2nc(C)cc2C)ncc1F 1772701084 HKGBWQIOEKKREM-UHFFFAOYSA-N 293.346 1.964 0 50 CDAA Cc1nc[nH]c1CC(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775976875 AWWBCFBWYKPYJF-MRXNPFEDSA-N 299.378 1.490 0 50 CDAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C)CC1 20149315 QIFGAFIMPRFEKT-NSHDSACASA-N 282.771 1.881 0 50 CDAA CC(C)(C)OC(=O)[C@H]1C[C@](O)(C2CCNCC2)C1 1772718083 MFIBQEKACHQGKM-WJONMLJTSA-N 255.358 1.469 0 50 CDAA Oc1cc(C2CCN(CC[C@H]3COCCO3)CC2)ccn1 1775983075 XJWAYHLWIQIYMR-HNNXBMFYSA-N 292.379 1.772 0 50 CDAA CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 5704643 FQQNVJHWLYKZMG-UHFFFAOYSA-N 296.392 1.563 0 50 CDAA C[C@@H](CS(=O)(=O)c1ccccc1)N1CCOCC1 19300206 HDGMKHPJUAIZBL-LBPRGKRZSA-N 269.366 1.181 0 50 CDAA COc1ccc(C(=O)O[C@H](C)CN2CCOCC2)cc1 19928424 CWDHPEPIPPEJOC-GFCCVEGCSA-N 279.336 1.573 0 50 CDAA C/C=C/C(=O)N1[C@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 2562271 BKPQKSSKLBTRJO-LHNOPMQHSA-N 283.393 1.929 0 50 CDAA COc1cnc(C)cc1C(=O)N1CCc2n[nH]c(C)c2C1 1857678196 DKCWSVBPFMNTSN-UHFFFAOYSA-N 286.335 1.629 0 50 CDAA CCCNC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O 4335120 ZVZWEXWAZSQEFV-ZDUSSCGKSA-N 275.352 1.952 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(O)cc1F 436966907 XBDBUZRILZHAEL-STQMWFEESA-N 283.299 1.455 0 50 CDAA Cc1cc2ncc(C(=O)N3CC[C@](C)(F)C3)c(C)n2n1 334347718 XSLIUSCENHCLEJ-AWEZNQCLSA-N 276.315 1.920 0 50 CDAA Cc1noc([C@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1 551884721 RTUDHOCGWQHJKU-NSHDSACASA-N 297.318 1.884 0 50 CDAA O=C(O)C1(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 154781455 ZUQSIUHYMBCYPU-GFCCVEGCSA-N 293.294 1.590 0 50 CDAA CCOCCCNC(=N)NC[C@@H](O)Cc1cccc(F)c1 849031729 AWQVQPZNXUCXGG-AWEZNQCLSA-N 297.374 1.270 0 50 CDAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccon1 858008426 QIIBXJRDJJDMFM-CMPLNLGQSA-N 290.323 1.306 0 50 CDAA O=S(=O)(N1CCCCC1)N(CCO)Cc1ccccc1 202774 CUXSBYYTFXZAGX-UHFFFAOYSA-N 298.408 1.212 0 50 CDAA C[C@@H]1C[C@H](N(C)C(=O)CC2(N)CCC2)CCN1C 237584931 UMRJJWCVDVAISO-VXGBXAGGSA-N 253.390 1.199 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@H]2C)cc1 13424564 NOKADRRUIYQFDZ-VXGBXAGGSA-N 269.366 1.529 0 50 CDAA Cc1nnc(CN2CCN(c3ccc(O)cc3)CC2)s1 299798025 QENMVNUUYWKCES-UHFFFAOYSA-N 290.392 1.874 0 50 CDAA O=C(NC[C@@]1(O)CCNC1)c1cccc2ccccc12 72148405 LITFYYCNVUACIR-MRXNPFEDSA-N 270.332 1.294 0 50 CDAA COc1ccc(Cl)cc1CN(C)CCS(C)(=O)=O 73021937 JTAGXAZYEXGLPG-UHFFFAOYSA-N 291.800 1.825 0 50 CDAA CC1(C)CN(C[C@@H](O)COC2CCOCC2)CCCO1 363102687 SHMMHCWPUXRSLX-CYBMUJFWSA-N 287.400 1.044 0 50 CDAA O=C(Cc1cc(C2CC2)on1)N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1 2325765506 SZOOYALMGXJJNM-VPJDZLOFSA-N 290.319 1.464 0 50 CDAA CC(=O)c1ccc(C(=O)NC2CCNCC2)cc1F 2325774602 BPARQIDULAZWIG-UHFFFAOYSA-N 264.300 1.510 0 50 CDAA NC(=O)c1ccc(F)c(C(=O)N2CC[C@H]3CCC[C@H]32)c1 2325784958 WCGSSWHTYBOLIN-NOZJJQNGSA-N 276.311 1.939 0 50 CDAA Cc1noc(C)c1[C@H](C)CC(=O)N1[C@H]2CC[C@H]1C(=O)NC2 2325790073 LBHSGZVCNXMPQA-ZHAHWJHGSA-N 291.351 1.274 0 50 CDAA COCCN1CCN=C1NCc1ccc2cc(O)ccc2c1 2325863602 PRJVNUVYARPWHD-UHFFFAOYSA-N 299.374 1.953 0 50 CDAA COc1ccc(NC(=O)NC(=O)C(F)(F)F)c(OC)c1 81863 XULMXRBDWYEMBD-UHFFFAOYSA-N 292.213 1.914 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 169246 XCSWWTGQHOOLAE-UHFFFAOYSA-N 299.348 1.181 0 50 CDAA biogenic O=C(c1ncc[nH]1)c1ccccc1C(=O)N1CCCC1 210708 ALXBVYLMVKOHCB-UHFFFAOYSA-N 269.304 1.877 0 50 CDAA C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=O)C[C@@H](C)O1 232057 AKQKJDUVFYNXTA-GHMZBOCLSA-N 287.319 1.121 0 50 CDAA COc1ccc(NC(=O)CSCC(=O)O)cc1 286043 DDWQCJDPCQFDAW-UHFFFAOYSA-N 255.295 1.452 0 50 CDAA CCS(=O)(=O)Nc1cccc(NS(=O)(=O)CC)c1 369766 NTZJCVJJEXVUDL-UHFFFAOYSA-N 292.382 1.210 0 50 CDAA CCNS(=O)(=O)c1ccc2c(c1)nc(C)n2CC 394700 GSFUKRFHWRMTPL-UHFFFAOYSA-N 267.354 1.663 0 50 CDAA Cc1ncc(N2C(=O)S[C@](C)(CCO)[C@@H]2C)c(N)n1 398317 QPVCWGDRQVRPDH-JVXZTZIISA-N 282.369 1.570 0 50 CDAA CCn1c(SCC(N)=O)nc2sc(C)c(C)c2c1=O 422017 TWZHKLKACMBILQ-UHFFFAOYSA-N 297.405 1.672 0 50 CDAA CC1(C)CCC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccccc32)O1 2476430 QXTJREVNZXWUPV-SWLSCSKDSA-N 275.304 1.353 0 50 CDAA COC(=O)c1cc2cc(OC)c(OC)c(OC)c2n1C 2532494 LOHPWAFCFZZNPA-UHFFFAOYSA-N 279.292 1.991 0 50 CDAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N2CCC[C@H]32)on1 2356146312 AMVZQAATNCXCTK-DTWKUNHWSA-N 273.296 1.480 0 50 CDAA CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC 2967862 FUMQHXBEVONOCU-UHFFFAOYSA-N 256.689 1.423 0 50 CDAA CN(C)c1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 3174308 XWBTUSLPJUKXRD-NSHDSACASA-N 297.380 1.061 0 50 CDAA CC(=O)NC12CC3CC(C1)CC(NC(C)=O)(C3)C2 4343618 IDKMCHZWZPAIGE-UHFFFAOYSA-N 250.342 1.350 0 50 CDAA O=c1oc2ccccc2c2c1nnn2CCN1CCCC1 4902852 OCVSVJQERLUEEF-UHFFFAOYSA-N 284.319 1.634 0 50 CDAA O=C(Nc1ccc(-n2cnnn2)cc1)c1ccncc1 6526829 QDHWNTAYTBRLCV-UHFFFAOYSA-N 266.264 1.310 0 50 CDAA CC(C)Oc1ccc([C@@H](CC(=O)O)n2cnnn2)cc1 1235065 XCZNTVSVPYVPAR-GFCCVEGCSA-N 276.296 1.524 0 50 CDAA O=C(O)CNC(=O)N1CCC(Cc2ccccc2)CC1 9576663 MGLIZLKYEBPTJC-UHFFFAOYSA-N 276.336 1.735 0 50 CDAA CN1CCN(CC(=O)c2ccc(Br)cc2)CC1 22078779 QUWJRLZWMBASAA-UHFFFAOYSA-N 297.196 1.879 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](N2CCC[C@@H](C(=O)O)C2)C1 22014097 JYXSUUXDUDDEIX-VXGBXAGGSA-N 298.383 1.792 0 50 CDAA CCc1c(C(=O)N2CCN(C)[C@H](CCO)C2)csc1C 20322349 FHTXVPATMYALNY-GFCCVEGCSA-N 296.436 1.758 0 50 CDAA CCc1ncc(C(=O)NCc2cnn3ccccc23)cn1 72127463 XOWPYUYCWCFDAS-UHFFFAOYSA-N 281.319 1.617 0 50 CDAA CCN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H](C)CCO 67967232 JSGSLBKMQPZYTM-NSHDSACASA-N 279.336 1.577 0 50 CDAA CN1CCC[C@@H]1CCn1ccc2[nH]c(=O)c(C#N)cc2c1=O 67513843 SHJODVAMZKLDJY-GFCCVEGCSA-N 298.346 1.046 0 50 CDAA C[C@H](NC(=O)NC[C@H](c1ccco1)N(C)C)[C@@H]1CCCO1 229738248 ZAYNAZWLLAVQPK-XQQFMLRXSA-N 295.383 1.749 0 50 CDAA Cc1cnc(N2CCC[C@@H](CN3CCOCC3)C2)nc1C 283658552 XHFDOPKUPBPCBZ-HNNXBMFYSA-N 290.411 1.642 0 50 CDAA Cc1ccc([C@H]2C[C@@H]2C(=O)NC(C)(CO)CO)s1 120551643 IBDVPVKZEKBVMY-UWVGGRQHSA-N 269.366 1.020 0 50 CDAA Cc1cccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)c1 380782 CJTHMUXUSLEHJF-LLVKDONJSA-N 292.335 1.065 0 50 CDAA CCN1CC[C@@H](CNC(=O)Nc2ccc(F)cn2)C1 360397410 OLEHEIGXBOLTFY-JTQLQIEISA-N 266.320 1.684 0 50 CDAA O=C1CNC(=S)N1c1ccc(C(F)(F)F)cc1 1381970 HGNFYJJNISFIES-UHFFFAOYSA-N 260.240 1.927 0 50 CDAA CCc1ccc(CN2CC(N3CCOCC3)C2)o1 216330542 RVRWJOHSZVEGJH-UHFFFAOYSA-N 250.342 1.358 0 50 CDAA CSc1ncccc1C(=O)NC1(C(=O)O)CCOCC1 131707430 KLKFLKVPIZMATK-UHFFFAOYSA-N 296.348 1.167 0 50 CDAA CC(C)(CC(=O)O)NC(=O)c1cncc(Cl)n1 232517865 JDZZBOXHFFBTIT-UHFFFAOYSA-N 257.677 1.113 0 50 CDAA C[C@@H]1CCC[C@H](OCC(=O)Nc2ccn(CC(=O)O)n2)C1 123080763 AXNLGLMZGXUTNI-MNOVXSKESA-N 295.339 1.502 0 50 CDAA Cc1cnc(CNc2cc(C)nc(N(C)C)n2)cn1 32586963 CDBNBUJJKWNIJU-UHFFFAOYSA-N 258.329 1.562 0 50 CDAA COc1ccc(C)cc1CC(=O)N1CCO[C@H]([C@@H](C)O)C1 331347490 MMXQSZQKGUWDNS-DOMZBBRYSA-N 293.363 1.154 0 50 CDAA CCS(=O)(=O)c1ccccc1N1CC[C@@H](CC(N)=O)C1 367929880 XFANBUFGLWDSGY-NSHDSACASA-N 296.392 1.182 0 50 CDAA NC1C[C@@H]2CCC[C@H](C1)C2NC(=O)Cc1ccon1 261669767 PDBDHTXQYKYOCX-QLHKPRNWSA-N 263.341 1.239 0 50 CDAA CN(C)c1cccc(S(=O)(=O)N[C@@H]2CCCOCC2)c1 332349434 VDOHHEYVJCFTOD-GFCCVEGCSA-N 298.408 1.600 0 50 CDAA COCc1nnc(C(=O)N(C)Cc2ccc(OC)cc2)o1 71759884 WEBVSHGFXAACOZ-UHFFFAOYSA-N 291.307 1.497 0 50 CDAA O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@H]1C[C@H]1C1CCC1 333310984 RUMKRYLCINRZJA-WXHSDQCUSA-N 285.409 1.364 0 50 CDAA Clc1ccc(-n2cc(Cn3ccnn3)nn2)cc1 128074505 UTXXLKPJMVTKDK-UHFFFAOYSA-N 260.688 1.561 0 50 CDAA OC[C@@H](O)CNc1ccc(-n2ccnc2)c(Cl)c1 32576715 MYALZVLREQTHKU-JTQLQIEISA-N 267.716 1.291 0 50 CDAA CN(Cc1nc2ccccc2n1C)C(=O)[C@]1(C)CCNC1 237252821 YGSJSGZADZFFKC-MRXNPFEDSA-N 286.379 1.531 0 50 CDAA C[C@@H](CC(=O)N1C[C@@H](C)OC[C@@H]1C)C1CCNCC1 237434559 VYRKZEQWIGLHOU-RWMBFGLXSA-N 268.401 1.648 0 50 CDAA C[C@H](C(=O)O)N1CCCN(C(=O)c2ccccc2)CC1 237412368 UHBGJJBQTUUXMI-GFCCVEGCSA-N 276.336 1.308 0 50 CDAA Cc1c(Br)c(Br)nn1CC(=O)O 71772791 NWWQJQJGPAPADF-UHFFFAOYSA-N 297.934 1.801 0 50 CDAA CCOCC(=O)N[C@@H](CC(C)C)c1ncnn1C 218864505 RQDGZSZBSNEKPC-JTQLQIEISA-N 254.334 1.055 0 50 CDAA O=C(Cc1ccsc1)N[C@H]1CNCCC1(F)F 334585024 XKPBBZBSLZMHMD-VIFPVBQESA-N 260.309 1.404 0 50 CDAA Cn1c(SC[C@H]2CCC(=O)O2)nnc1C1CCNCC1 426529441 RLNFHEMMZMBZGV-SNVBAGLBSA-N 296.396 1.080 0 50 CDAA Cc1cc(=O)c(C(=O)NCCC[C@@H]2CCOC2)c(C)[nH]1 426497475 WFTIRBFBSQAGRZ-GFCCVEGCSA-N 278.352 1.538 0 50 CDAA C[C@@H](C(=O)NCC1(Cn2ccnc2)CC1)n1cccn1 426489632 KZOPXQJDZVBUFP-LBPRGKRZSA-N 273.340 1.237 0 50 CDAA Cc1nn(C)c(C(=O)NCC[C@H]2CCOC2)c1Cl 426656811 AVHCXXBTAQUUOP-VIFPVBQESA-N 271.748 1.538 0 50 CDAA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1c(C2CCC2)cnn1C 614456562 SPGWOQFAACIACH-BXKDBHETSA-N 290.367 1.085 0 50 CDAA Cc1nn(C)cc1-c1ccnc(NCc2cnn(C)c2)n1 48435658 QYVLNMASBUMPJC-UHFFFAOYSA-N 283.339 1.531 0 50 CDAA O=S1(=O)C[C@]2(N3CCCC3)c3ccccc3CC[C@@H]21 45027592 BNOHGQQVODUVMR-GJZGRUSLSA-N 277.389 1.721 0 50 CDAA Cc1cnn([C@H]2CCN(C(=O)c3nc[nH]c4nccc3-4)C2)c1 615059823 MNSGWSXSWNUUIT-NSHDSACASA-N 296.334 1.502 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1 195811428 ZUTLXYKCFKCEMK-FVCCEPFGSA-N 273.288 1.588 0 50 CDAA CCCO[C@H](C)C(=O)N1CCN(c2ccccc2)C(=O)C1 82121829 KBXHWLAVJUOIRA-CYBMUJFWSA-N 290.363 1.677 0 50 CDAA C[C@@]1(C(=O)N2CCC(c3ncon3)CC2)CCCCO1 426442683 QCNXWNCPTWBQFT-AWEZNQCLSA-N 279.340 1.735 0 50 CDAA Cc1nccc(N[C@@H](Cc2ccccc2)C(N)=O)n1 339215436 AKKCEJGHPAUWEB-LBPRGKRZSA-N 256.309 1.294 0 50 CDAA Cc1nnc(CN[C@@H](C)c2ccc3c(c2)NC(=O)CO3)o1 179853262 VZGHAELATRVSSE-QMMMGPOBSA-N 288.307 1.560 0 50 CDAA CCc1nc(C)c(C(=O)NC2(C)CCOCC2)o1 293435662 IRONZFWVUKANDM-UHFFFAOYSA-N 252.314 1.844 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2cc(=O)cc(C)[nH]2)C1 426489836 ARJULYWNQHGOEX-GFCCVEGCSA-N 278.352 1.572 0 50 CDAA C[C@@H]1CN(CC(=O)NCc2ccccc2F)CC[C@]1(C)O 91986522 RQGLYPQKMQKLTN-WBMJQRKESA-N 294.370 1.535 0 50 CDAA O=C(Nc1cccc2cn[nH]c12)NC1CCOCC1 95505565 WYLMSGFZXUMEDS-UHFFFAOYSA-N 260.297 1.863 0 50 CDAA Cc1c[nH]c(CN(C)[C@H](C)C(=O)NC2CCCCC2)n1 244852916 VBRZQFYDEROBPI-GFCCVEGCSA-N 278.400 1.987 0 50 CDAA Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1COC[C@H]1O)CCC2 297884851 GYOAHNVKZNTNIJ-RRFJBIMHSA-N 290.363 1.431 0 50 CDAA C[C@@]12[C@H]3C[C@H]4[C@H]([C@H]1n1c(=O)n(-c5ccccc5)c(=O)n14)[C@@]32C 253596778 VVVRPJWAPAXQJQ-LOHNFIHCSA-N 295.342 1.572 0 50 CDAA O=C(CN1Cc2ccccc2C1)NC[C@H]1CCOC1 534642484 VYHUHGVBNGMLRE-GFCCVEGCSA-N 260.337 1.155 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)NCC[C@@H]2CCOC2)c1 534666145 YZRUZJBBFWGDPO-SNVBAGLBSA-N 293.319 1.550 0 50 CDAA Cc1nc(C)c(C(=O)N[C@H](CC(C)C)c2ncnn2C)o1 534651159 WWGUIUFWKVQWPD-LLVKDONJSA-N 291.355 1.937 0 50 CDAA CN1CC[C@@H](CNC(=O)c2ccnn2C2CCC2)CC1=O 823197942 OUDPZERIAJHVTC-LLVKDONJSA-N 290.367 1.206 0 50 CDAA Cc1ccc([C@@H](CCO)NC(=O)c2c(C)ncn2C)cc1 299770130 PITDRVUTTNBYMQ-CQSZACIVSA-N 287.363 1.890 0 50 CDAA CC(C)N1CC[C@@H](CN(C)C(=O)c2csnc2N)C1 299773192 CZXAKCWAMURHHB-JTQLQIEISA-N 282.413 1.528 0 50 CDAA CC(C)CS(=O)(=O)NCc1nc(O)c2ccccc2n1 821387212 NBFMYRCTYQYBMX-UHFFFAOYSA-N 295.364 1.411 0 50 CDAA C[C@H](NC(=O)c1cn[nH]c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 820723353 FUKAKTDQLXOVHS-YPSBDKLCSA-N 289.379 1.859 0 50 CDAA Cc1nc([C@H](C)NC(=O)CCCN2CCOCC2)cs1 584890131 XXBGNHNVXNFVMN-NSHDSACASA-N 297.424 1.741 0 50 CDAA COc1cc(Cl)c(CN2CCCNC(=O)C2)c(OC)c1 670469217 QDKBEVWWUALGOO-UHFFFAOYSA-N 298.770 1.679 0 50 CDAA CCn1nc(C)c([C@H](C)NC(=O)c2cncn2C)c1C 584889559 LWHGBXVWVKWSCM-VIFPVBQESA-N 275.356 1.744 0 50 CDAA CCn1cnnc1CN(C)C(=O)CCCc1cn[nH]c1 584887616 NUUPESUFGXRUIX-UHFFFAOYSA-N 276.344 1.002 0 50 CDAA Cc1nc([C@H]2CCN(c3cc(Cl)nnc3O)C2)n[nH]1 872573329 XRIQABJJHQPZNP-ZETCQYMHSA-N 280.719 1.256 0 50 CDAA c1nc(N2CCC[C@H]2c2nc[nH]n2)c2ncsc2n1 1875286952 OJCIWMRIGYUKMN-ZETCQYMHSA-N 273.325 1.546 0 50 CDAA O=C(O)[C@@H]1C(F)(F)C12CC(C(=O)N1CCCC1)C2 1875296792 PPAQTBQEOXUEIS-KAIZJQOQSA-N 259.252 1.355 0 50 CDAA O=S(=O)(Nc1nocc1C1CC1)c1cncc(F)c1 1875279879 JPFKJMBZYLWISW-UHFFFAOYSA-N 283.284 1.887 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 1875311243 RFQUGRODUKZNMT-QPJYJQDJSA-N 275.348 1.504 0 50 CDAA NCc1cc(C(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n[nH]1 1875315479 WMGONTIFECDVGI-UMVBOHGHSA-N 282.347 1.184 0 50 CDAA COC(=O)c1cc(C2CCN(C(=O)C3(F)CC3)CC2)[nH]n1 1875302550 VRSVDCGSFMNILN-UHFFFAOYSA-N 295.314 1.404 0 50 CDAA Nc1nonc1-c1noc([C@@H]2Cc3ccccc3C(=O)O2)n1 1875357436 HMRUROKFISDNBS-QMMMGPOBSA-N 299.246 1.156 0 50 CDAA COC(=O)C1CCN(c2nnnn2C[C@@H]2C=CCC2)CC1 952878843 JVIFWVVLNKIRPG-LLVKDONJSA-N 291.355 1.029 0 50 CDAA CCn1nnc(C)c1CN1CC[C@]2(CCCN2C)C1 952879896 AFSMXKPGDMFKRI-CQSZACIVSA-N 263.389 1.277 0 50 CDAA CC[C@H](OC)C(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1 952975655 LKHRFZWNSBWWDG-LBPRGKRZSA-N 294.351 1.761 0 50 CDAA CS(=O)(=O)N1CCC[C@H](OCc2ccccn2)C1 952990249 WVZDPHHQSJHTKD-LBPRGKRZSA-N 270.354 1.022 0 50 CDAA CC(=O)Nc1ccc(CCNCc2ccc(=O)n(C)c2)cc1 1775998100 RTBHPOMQBWGTTP-UHFFFAOYSA-N 299.374 1.676 0 50 CDAA Clc1cnc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)nc1 1775961688 SHSYILFLNKEOEU-BDAKNGLRSA-N 280.719 1.580 0 50 CDAA Cc1nn(C)cc1CS(=O)(=O)Cc1ccccc1F 1776005393 FBYVBQXTOUYQST-UHFFFAOYSA-N 282.340 1.983 0 50 CDAA COc1ccc(F)cc1-c1cnn(C)c1C(=O)O 75395054 SVBQJLXEABDKBO-UHFFFAOYSA-N 250.229 1.933 0 50 CDAA C[C@H]1C(=O)N([C@@H]2CCCn3nccc32)C(=O)N1C1CC1 630996674 DUPIKIOJIJATEL-JOYOIKCWSA-N 274.324 1.533 0 50 CDAA COC(=O)c1ccc2ncc(Br)n2n1 95707953 GTMUMEVVAXZMNO-UHFFFAOYSA-N 256.059 1.278 0 50 CDAA in-vitro C[C@H](NC(=O)[C@@H](C)[S@@](=O)CCO)c1ccc(F)cc1 170051243 BFTJPKVFMJYKLZ-DQPNGWRMSA-N 287.356 1.132 0 50 CDAA Cn1c(S)nnc1CCNC(=O)[C@@H]1C[C@H]1C1CCC1 170653239 SCXXDKGFWRXTNN-VHSXEESVSA-N 280.397 1.199 0 50 CDAA CC[C@@H](c1ccc(F)cc1)S(=O)(=O)c1ncnn1C 170610967 WULSDAIQKWQQMB-NSHDSACASA-N 283.328 1.879 0 50 CDAA Cc1nc(N(C)C)nc(N2CCc3ccc(O)cc3C2)n1 408393798 NFHPKWINPXDHOL-UHFFFAOYSA-N 285.351 1.514 0 50 CDAA CC[C@H](C)S(=O)(=O)NC(=O)[C@H]1CCO[C@H]1C(C)C 408485315 OSCNROZFPBWWRV-DCAQKATOSA-N 277.386 1.292 0 50 CDAA CC(C)[C@H](NCC(=O)NC1CC1)[C@@H](O)c1ccccc1 408516360 NCTBCRZQRYTQCU-HOTGVXAUSA-N 276.380 1.613 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N(CCO)Cc1ccccc1 188303881 HDWFJPIKVYGNQE-UKRRQHHQSA-N 277.364 1.823 0 50 CDAA CC(C)c1coc(NC(=O)c2cccn(C)c2=O)n1 637637871 RIOBVNBWVUSRMN-UHFFFAOYSA-N 261.281 1.749 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1nc2ccccn2n1 191149546 KXUKPZGSNORUQS-UWVGGRQHSA-N 260.297 1.483 0 50 CDAA CN(Cc1cn[nH]c1)C(=O)c1cn(C)nc1C1CC1 643985985 AVVFDUJMBFOYHZ-UHFFFAOYSA-N 259.313 1.293 0 50 CDAA CC[C@@](NS(C)(=O)=O)(C(=O)O)c1ccc(Cl)cc1 646042227 YZPJYNJZVGCWIL-NSHDSACASA-N 291.756 1.579 0 50 CDAA COCc1csc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 656491343 LYLYMMALEYPAEA-SNVBAGLBSA-N 283.349 1.831 0 50 CDAA O=C1CC[C@@H]2CN(C(=O)NCc3ccco3)CC[C@@H]2N1 656548056 PZRUBDITWRWIGH-PWSUYJOCSA-N 277.324 1.090 0 50 CDAA C[C@H](NC(=O)c1cccc(C(=O)O)c1)[C@H]1CCCNC1 585090312 YGNOOXTXDUUMEF-GWCFXTLKSA-N 276.336 1.503 0 50 CDAA O=C(NCc1ccccc1CO)NCC1CSC1 585137712 QJCGGSCDKDXTMQ-UHFFFAOYSA-N 266.366 1.341 0 50 CDAA CCCCCOCC(=O)NC[C@@H]1CC(=O)N[C@@H](C)C1 585127607 FELBAJSGLAMFRE-RYUDHWBXSA-N 270.373 1.224 0 50 CDAA Cc1cc(=N)[nH]c(SCOC(=O)CC(C)C)n1 585119199 WPQOLPGPWBGRNV-UHFFFAOYSA-N 255.343 1.836 0 50 CDAA CN(C[C@H]1CCN(C)C1(C)C)c1ccc(C(=O)O)nn1 1506400939 GXTXIRPBHIXJFZ-SNVBAGLBSA-N 278.356 1.341 0 50 CDAA Nc1ncc(/C=C/C(=O)N2CC(c3ccncc3)C2)cn1 1506405096 UWHKTZLHJROAGQ-OWOJBTEDSA-N 281.319 1.093 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3ccc(C)o3)C[C@H]2O)n[nH]1 1529166947 BFSNSQCRBOFZKR-IUODEOHRSA-N 275.352 1.655 0 50 CDAA COCCCn1cnnc1CNc1cncc(C)n1 1529171965 BKLPULNIMNEPAV-UHFFFAOYSA-N 262.317 1.025 0 50 CDAA COc1cccc2ncn(C[C@@H]3CCCC[C@@H]3O)c(=O)c12 206592625 MLOFOGJBLQVMET-AAEUAGOBSA-N 288.347 1.956 0 50 CDAA O=C(NC(=S)NC[C@H]1CCCO1)c1cccs1 458635 JRQIQTUYXFSTQO-MRVPVSSYSA-N 270.379 1.531 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)NCc2cscn2)C1 236444292 KJBVBNUJEIAAIV-SFYZADRCSA-N 254.311 1.260 0 50 CDAA CC(C)CS(=O)(=O)c1nnc(N2CCCC2)n1C1CC1 1875281323 GWIVZPXEFNCLIE-UHFFFAOYSA-N 298.412 1.643 0 50 CDAA CCN(CCC(=O)O)S(=O)(=O)c1ccc(F)s1 2325790313 DKSRFBOIYAUWSD-UHFFFAOYSA-N 281.330 1.373 0 50 CDAA CNC(=O)c1cc(N2CCC[C@@H](n3ccnc3)C2)ccn1 1614998258 JEGJRNGHSLCQAI-CYBMUJFWSA-N 285.351 1.479 0 50 CDAA O=C(N[C@H]1CCNC[C@H]1F)c1ccc(C(F)(F)F)cn1 1616038596 HSIBRACKRNNXBZ-BDAKNGLRSA-N 291.248 1.530 0 50 CDAA O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccnc1 5155446 KSZPRUJKMRILRZ-CYBMUJFWSA-N 270.288 1.507 0 50 CDAA Cc1ccsc1C(=O)[C@@H]1CCCN(CCO)C1 12587886 RNZNFAQDQMEXNK-LLVKDONJSA-N 253.367 1.944 0 50 CDAA CN1CCC2(CC1)OCCN2C(=O)COc1ccccc1 13685786 RMZCQHVASDNSSG-UHFFFAOYSA-N 290.363 1.346 0 50 CDAA CCN1CCN(S(=O)(=O)Cc2ccccc2F)CC1 16577815 UGRXUIJKQPDGFJ-UHFFFAOYSA-N 286.372 1.293 0 50 CDAA Brc1ccc(NCn2cncn2)nc1 19299968 HYODDPGYAPMELN-UHFFFAOYSA-N 254.091 1.505 0 50 CDAA Cc1cc(C)cc(C(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)c1 1646291746 HUPBCGOHRKKDFH-QDMKHBRRSA-N 277.364 1.698 0 50 CDAA C[C@@H](CN1CCOCC1)NCc1nc2ncccc2o1 1857672653 IUJRSPZBIUHQSS-NSHDSACASA-N 276.340 1.033 0 50 CDAA Cc1cccc2cc(CO)c(N3C[C@@H]4CC(=O)N[C@@H]4C3)nc12 1857666219 BCSUJIVONCTSAL-GXTWGEPZSA-N 297.358 1.360 0 50 CDAA CCN(CC)C(=O)[C@H]1CCCN(c2n[nH]c(=N)s2)C1 1857674153 UGXKYLWAKGXILD-VIFPVBQESA-N 283.401 1.035 0 50 CDAA Nc1cncc(N2CCC([C@@H](O)c3cccnc3)CC2)n1 1857679026 UVMWAAHFTJSYGO-OAHLLOKOSA-N 285.351 1.404 0 50 CDAA C[C@H](CNC(=O)[C@@H]1SCCc2ccccc21)C(=O)O 237445138 IWFAXASQHJDFFE-BXKDBHETSA-N 279.361 1.854 0 50 CDAA C[C@@H]1CN(CCC2CCN(CC(=O)O)CC2)C[C@@H](C)O1 237500961 MIVAKOLWTFMLIL-CHWSQXEVSA-N 284.400 1.282 0 50 CDAA Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC1(C(=O)O)CC1 237678597 PKMDDYIVEYMOIV-NEPJUHHUSA-N 259.305 1.832 0 50 CDAA COCCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 250487343 ZTRYHNYDJZSJPP-AXFHLTTASA-N 255.314 1.267 0 50 CDAA CC(C)COCCN1CCC[C@H](c2nnc[nH]2)C1 252496284 PFSLWPPZGOZPSW-LBPRGKRZSA-N 252.362 1.657 0 50 CDAA O=C(N[C@@]1(C(=O)O)CCc2ccccc21)[C@@H]1CCCCO1 677849653 JXUNPSWMUCIURQ-BBRMVZONSA-N 289.331 1.598 0 50 CDAA CCO[C@H](C)C(=O)N1CC[C@](C(=O)O)(c2ccccc2)C1 571526212 NWTPGACNXDURPY-MLGOLLRUSA-N 291.347 1.666 0 50 CDAA C[C@@H](CNC(=O)c1cnc[nH]1)N(C)Cc1ccccc1 264723572 DCWVQKYTXUJVTD-LBPRGKRZSA-N 272.352 1.660 0 50 CDAA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CC[C@H](N)C3)cn2)n1 164832077 IQWORKFSQZHVDT-OLZOCXBDSA-N 299.378 1.950 0 50 CDAA Cc1[nH]nc2c1CN(C(=O)c1cc(C3CC3)on1)CC2 1875318669 KYRQEMGNEUKLMO-UHFFFAOYSA-N 272.308 1.782 0 50 CDAA CCc1cnc(C)nc1N1C[C@H]2COC[C@@H](C1)CN2C 1704306863 YQJAXJJZXUKQLP-OCCSQVGLSA-N 276.384 1.114 0 50 CDAA O=C(NCc1cc2n(n1)CCCC2)[C@H](CO)c1ccccc1 828678671 ZMNZIZHNZRFWLE-MRXNPFEDSA-N 299.374 1.612 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@]2(CO)[C@@H]1C2(F)F 1857782053 JRIWQEMJPSRRPD-GMSGAONNSA-N 265.256 1.002 0 50 CDAA OC1(CNCc2ccc3c(c2)OCCO3)CCOCC1 112717008 CWRMMQDGEXXUPT-UHFFFAOYSA-N 279.336 1.089 0 50 CDAA CCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C 4858356 ZXAJRSOKIZKOAX-GFCCVEGCSA-N 299.392 1.851 0 50 CDAA O=C(C[C@@H]1CCNC1)NCCOCc1ccccc1 129052859 DMAONXYHKNAZMD-AWEZNQCLSA-N 262.353 1.319 0 50 CDAA CC(=O)C[C@H](C)NC(=O)c1ccc2c(c1)CCC(=O)N2 129149922 ZPCNROYOQREEKI-VIFPVBQESA-N 274.320 1.669 0 50 CDAA C[C@@H](C(=O)O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 237618905 NKKBWZGYEUOBHQ-WCQYABFASA-N 276.336 1.587 0 50 CDAA CCOC(=O)CNC(=O)N1CCC[C@@H]1c1cc(C)no1 35511361 JCJIGYVEOPERQO-SNVBAGLBSA-N 281.312 1.393 0 50 CDAA O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H](CO)C(=O)O 36970763 CPQREZQJIQHREM-RDZWNTDESA-N 281.352 1.155 0 50 CDAA O=C(NC[C@@]1(O)CCNC1)Nc1ccccc1Cl 299800339 WYUMPJUHFYVRGK-GFCCVEGCSA-N 269.732 1.186 0 50 CDAA COc1ccc(C(=O)NC(C)(C)CN(C)C)c(F)c1 308683544 TWKKZONDDITWMS-UHFFFAOYSA-N 268.332 1.904 0 50 CDAA CC(C)=CCC[C@@H](C)NCc1noc(C(N)=O)n1 534591941 OREJNFGNGDMYDH-SECBINFHSA-N 252.318 1.393 0 50 CDAA C[C@](O)(CNS(=O)(=O)CC1CCCC1)C1CC1 333390389 ZCHPFZDCLGADKU-LBPRGKRZSA-N 261.387 1.257 0 50 CDAA Cc1cc(NC[C@H](O)c2ccc(O)cc2)nc(N)n1 91440831 LAZLWBBOIFQRLC-NSHDSACASA-N 260.297 1.218 0 50 CDAA O=C(O)c1coc(C(=O)N2CCC[C@@]23CCOC3)c1 389144287 VWBGDIQHORRYGU-ZDUSSCGKSA-N 265.265 1.373 0 50 CDAA CC(=O)NN1C(=O)O[C@@](C)(CCc2ccccc2)[C@@]1(C)O 1428748 CEXMGSIQMIFMRG-LSDHHAIUSA-N 292.335 1.590 0 50 CDAA O=C(N1C[C@H]2CC[C@H]1C2)N1CCC[C@]12CCS(=O)(=O)C2 2325783975 QEAQANRMGMNKEF-SGMGOOAPSA-N 298.408 1.244 0 50 CDAA CC(=O)Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O 194373 MCGDILBNDMXNQR-VIFPVBQESA-N 271.276 1.941 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(O)nc1C(C)C 2356137810 APMWMBRKGVMEQX-VXGBXAGGSA-N 294.351 1.444 0 50 CDAA Cc1ncsc1C(=O)N1CCC[C@]12CCCN(C)C2=O 2356151705 UYVMSOFIIITWLC-AWEZNQCLSA-N 293.392 1.679 0 50 CDAA COc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1 4820783 IQHVDKFVLUCUBM-JTQLQIEISA-N 277.324 1.424 0 50 CDAA O=C(NCc1ccccc1)c1cnc2sccn2c1=O 6495914 WSMICNGEIUVPHR-UHFFFAOYSA-N 285.328 1.686 0 50 CDAA CCOC(=O)/C=C(\C)N[C@@H](C(=O)O)c1ccccc1 100044085 SDGOHFKMDLYFMZ-WTNCMQEWSA-N 263.293 1.869 0 50 CDAA in-vitro CCc1nn(C)c(CC)c1CN1CC[C@H](C(=O)N(C)C)C1 414495053 GNFZDYFPYBQKJZ-LBPRGKRZSA-N 292.427 1.455 0 50 CDAA CCOC(=O)[C@H]1C(=O)CC(=O)C[C@H]1c1ccccc1 100011708 BXVBHUOYUZLPLZ-GXTWGEPZSA-N 260.289 1.882 0 50 CDAA CC(=O)NCCCc1nc(-c2ccsc2)no1 20819282 NPKWQEAVNBRVDA-UHFFFAOYSA-N 251.311 1.867 0 50 CDAA COC(=O)c1ccc(OC[C@@H](O)CNC(C)C)cc1 26781690 IKLHTJKCEKYJKI-LBPRGKRZSA-N 267.325 1.211 0 50 CDAA in-vitro COCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 20100460 BWQNPLKRZNPZLL-UHFFFAOYSA-N 294.370 1.800 0 50 CDAA CCSCc1nc2c([nH]1)CC(C)(C)CNC2=O 65398185 KQGTYIMQPPJHGJ-UHFFFAOYSA-N 253.371 1.975 0 50 CDAA Cc1noc(C)c1C(=O)NCCc1cn2ccccc2n1 20906390 URXBVFRBEJBHQZ-UHFFFAOYSA-N 284.319 1.912 0 50 CDAA COc1cc(Cl)cc(C(=O)N2CCC(O)(CO)CC2)c1 67604298 PFXYUUYWVBXQAL-UHFFFAOYSA-N 299.754 1.308 0 50 CDAA CC(C)N1CCC[C@H](N(C)[C@]2(CO)CC[C@@H](C)C2)C1=O 248748383 NYPXQCHVMAAUCY-IJEWVQPXSA-N 282.428 1.869 0 50 CDAA Cc1cc(CN2CCC([C@H](C)N3CCOCC3)CC2)no1 20820147 LXFOKBXGURQZEA-AWEZNQCLSA-N 293.411 1.916 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H](C1CCC1)C1CC1 861942118 KUBBWQDXHPDFEE-AWEZNQCLSA-N 250.342 1.326 0 50 CDAA CC(C)C[C@@H]1NC(=O)[C@H](COCc2ccccc2)NC1=O 28468867 ZONHFIKOXHRRIE-KBPBESRZSA-N 290.363 1.233 0 50 CDAA COc1cccc(CN(C)C(=O)COC2CCNCC2)c1 111796116 PVLQGPLONOICSX-UHFFFAOYSA-N 292.379 1.422 0 50 CDAA O=C1CCCN1CCN1C[C@H](O)C[C@H]1c1cccc(F)c1 281892909 QBWXIIOVBIMLHB-CABCVRRESA-N 292.354 1.556 0 50 CDAA CC(C)CN1CCN(Cc2ccco2)[C@@H](CCO)C1 32553501 WOIONVULGZVRAJ-AWEZNQCLSA-N 266.385 1.804 0 50 CDAA COC(=O)c1ccc(C(=O)NC[C@H]2CC=CCC2)cn1 122272561 AJMPNVSMLJYNGK-NSHDSACASA-N 274.320 1.954 0 50 CDAA CSc1nccc(N2CCC[C@@H](CNC(C)=O)C2)n1 32598134 MLTZHGJJTLAYIW-NSHDSACASA-N 280.397 1.551 0 50 CDAA COc1cnc(N2CCC([C@@H](C)N(C)C)CC2)nc1 77356338 SHDDPCCXVYAZTH-LLVKDONJSA-N 264.373 1.652 0 50 CDAA CC[C@H](SC)C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328631858 RLJYLZJQQVYEJH-MNOVXSKESA-N 282.413 1.366 0 50 CDAA O=C1N[C@]2(CCOC2)C(=O)N1Cc1cccc2cccnc12 126376872 XRUCCWFIWUTBAD-INIZCTEOSA-N 297.314 1.446 0 50 CDAA O=C(NCc1nn[nH]n1)c1ccc2c3c([nH]c2c1)CCCC3 216085232 VOPZXEQQFUADRU-UHFFFAOYSA-N 296.334 1.490 0 50 CDAA COc1cccc(-c2cc(CNC(=O)c3cnn[nH]3)on2)c1 72169200 DOFOSJMRVOHFLD-UHFFFAOYSA-N 299.290 1.398 0 50 CDAA O=C(O)Cn1ccc(NC(=O)Cc2cccc(F)c2)n1 123043569 KLLIDVUPNPMQOG-UHFFFAOYSA-N 277.255 1.288 0 50 CDAA CCc1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)[nH]1 219274076 SKNANUPFAHNYSI-LLVKDONJSA-N 263.341 1.316 0 50 CDAA CCN(Cc1cccc2nonc12)[C@@H]1CCS(=O)(=O)C1 216258392 IOKPKRDWKGAGME-LLVKDONJSA-N 295.364 1.232 0 50 CDAA O=c1n(Cc2csc(Cl)n2)nnn1-c1ccccc1 253425872 KAWCGDGSMDVPGK-UHFFFAOYSA-N 293.739 1.587 0 50 CDAA Cc1ccc(NC(=O)NCc2nc(N(C)C)no2)s1 253415865 YYCRDRWWRPENOP-UHFFFAOYSA-N 281.341 1.827 0 50 CDAA Cc1cc(C)c2ccc(C(=O)N3CC(O)C3)cc2n1 215641557 OLDORMOGBXEVGO-UHFFFAOYSA-N 256.305 1.668 0 50 CDAA CC(=O)NCc1ccc(-c2ccc(CO)cc2)nc1 215192286 XZZSZVJHPUVWEU-UHFFFAOYSA-N 256.305 1.877 0 50 CDAA CC(C)c1ncc(CN2CCN3CCC[C@@H]3C2)cn1 215829398 GCLANQFQVKSWNC-CQSZACIVSA-N 260.385 1.880 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)o1 215597982 RAEDAMXYQHTFGN-NSHDSACASA-N 287.319 1.691 0 50 CDAA O=C(Cc1noc2ccc(F)cc12)N1CCOCC12CC2 333346753 QRTIMKWOOQYNJS-UHFFFAOYSA-N 290.294 1.901 0 50 CDAA COc1cc(OC)c(NC(=O)[C@@H]2C[C@H]2C(=O)O)cc1F 262170676 QOOWQFYTVSZLNX-RNFRBKRXSA-N 283.255 1.502 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCc2c(ncn2C)C1 374627141 BOLJSCLNKPIVAQ-SECBINFHSA-N 287.367 1.448 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1cccc(F)c1 262971098 OPPUMEYHXWGJRL-CYBMUJFWSA-N 295.310 1.683 0 50 CDAA Cc1ncoc1C(=O)N1CCCC[C@@H]1CCC(=O)O 159341054 VHIAMENYSBUBKZ-SNVBAGLBSA-N 266.297 1.843 0 50 CDAA COc1ccc(F)cc1C(=O)N1CCOC[C@H]1CC(=O)O 218679297 LATOIFGEJKXXAP-SNVBAGLBSA-N 297.282 1.150 0 50 CDAA Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2C[C@@H](C(=O)O)C2)n1 263171378 FZGKAAGSNWSDCO-SDDRHHMPSA-N 279.340 1.430 0 50 CDAA CN(C)c1nc(N)nc(CNc2ccc3cc[nH]c3n2)n1 72155864 KFAZKEASMZCQOW-UHFFFAOYSA-N 284.327 1.008 0 50 CDAA CC[C@H]1COCCN1C(=O)c1ccc2c(c1)ncn2C 132893406 ZDLMBXUVCRSPLM-LBPRGKRZSA-N 273.336 1.824 0 50 CDAA O=C(c1cccnc1C1CC1)N1C[C@H]2COC[C@@H](C1)O2 328744708 OZJCEXGOHXIAAH-TXEJJXNPSA-N 274.320 1.199 0 50 CDAA CCCN(CCO)C(=O)N[C@@H](C)c1ccc(C)nc1 426490092 CXGLGDRZWVRMQJ-LBPRGKRZSA-N 265.357 1.865 0 50 CDAA Cc1nc(CNC(=O)C[C@@H]2CCCCN2C)n(C)c1C 426726747 JOCCITCORKYRDC-ZDUSSCGKSA-N 278.400 1.528 0 50 CDAA COCc1noc(CCNC(=O)c2cc(C(C)C)on2)n1 85479123 ZOCMPMNIERBYLU-UHFFFAOYSA-N 294.311 1.300 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1F 222428359 TZFORGPZIAVOKJ-LPWJVIDDSA-N 293.294 1.951 0 50 CDAA c1nc([C@H]2COCCO2)n(CC2CCCCC2)n1 96138645 QEHNIQVJWSNXDO-GFCCVEGCSA-N 251.330 1.946 0 50 CDAA OC[C@H]1CN(Cc2cccnc2)C[C@H]1CN1CCCCC1 91416653 ZIAXIOFKQBQMLF-IAGOWNOFSA-N 289.423 1.608 0 50 CDAA CC(C)n1ccc(C(=O)N2CC[C@H](O)C23CCCC3)n1 294207453 PCWFVQXYSUNVIN-ZDUSSCGKSA-N 277.368 1.984 0 50 CDAA CC(C)N1CC[C@@H](Cn2ncn3cccc3c2=O)C1 95385979 IVOSMTSUDGDJDD-GFCCVEGCSA-N 260.341 1.226 0 50 CDAA Cc1cc(C)n(CCN(C)C(=O)[C@@H]2CCCCCN2C)n1 91321864 JTEDHPRSERBATI-HNNXBMFYSA-N 292.427 1.833 0 50 CDAA COc1nccnc1N1CC(N2CCCC[C@H]2C)C1 96138473 NYIHCTMWRCCUKH-LLVKDONJSA-N 262.357 1.548 0 50 CDAA CC(=O)N1CCC(CNC(=O)c2ccn(C)c2)CC1 268574889 CPGGCQUYFUCZMQ-UHFFFAOYSA-N 263.341 1.013 0 50 CDAA CCCCSc1nc(N)cc(N2CC[C@@H](CN)C2)n1 95379933 ZTNLADYXNAAHPR-JTQLQIEISA-N 281.429 1.736 0 50 CDAA CCCc1cc(C(=O)NCCSc2nccn2C)[nH]n1 91486906 WDCFUZSVKDBAAU-UHFFFAOYSA-N 293.396 1.618 0 50 CDAA CC(C)n1ccnc1CN1CC2(CCN(C)CC2)CC1=O 95519636 BVOFPMQNPPSULN-UHFFFAOYSA-N 290.411 1.908 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1Cc1noc(-c3ccccc3)n1)N2 95503866 XBLDFTFUYDXKNA-OLZOCXBDSA-N 298.346 1.590 0 50 CDAA O=C(NCC1CC1)c1ccc(C2CCNCC2)nc1 242687953 VAXWPGTVRLIKLC-UHFFFAOYSA-N 259.353 1.688 0 50 CDAA Cc1ccccc1Cc1nnn(Cc2cnns2)n1 298324486 NMNHMZUIBIUDMQ-UHFFFAOYSA-N 272.337 1.472 0 50 CDAA Cc1c([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2)oc2ccccc12 299741681 ADFQOFHVPPJFCW-GMXVVIOVSA-N 288.347 1.641 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NCc1ccc(Cn2cccn2)cc1 299748338 HAAJLIXPEYNIIH-KBPBESRZSA-N 299.330 1.268 0 50 CDAA C[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H](C)N1 299738889 HXVBONAICSKUNA-UWVGGRQHSA-N 260.341 1.176 0 50 CDAA O[C@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@H]([C@H]1[C@@H]([C@@H]63)[C@H]7%10)[C@H]1[C@H]9[C@H]([C@@H]58)[C@H]4[C@H]12 257357797 PWRHSMLABYNSSO-RUVOXQSJSA-N 276.379 1.575 0 50 CDAA O=C(O)c1csc(CCN[C@@H]2CCSC2)n1 534581341 GXHLZGYACSVYOH-SSDOTTSWSA-N 258.368 1.479 0 50 CDAA CCCS(=O)(=O)N[C@@H](CC(C)C)c1ncnn1C 534667887 XBBLMOOXXGDUCH-JTQLQIEISA-N 274.390 1.232 0 50 CDAA COCC1(CNC(=O)[C@@H](C)CN2CCOCC2)CCCC1 456864090 ZMWPVWJZWPEEKB-AWEZNQCLSA-N 298.427 1.278 0 50 CDAA CSCCC(=O)N1CCC[C@@H](CN2CCN(C)CC2)C1 368978986 HNAHOLKKWUDPPT-AWEZNQCLSA-N 299.484 1.226 0 50 CDAA CN(C)C[C@@]1(O)CCCN(C(=O)c2ccc(F)cc2O)C1 299755189 BAFXCZQEZXOJEW-HNNXBMFYSA-N 296.342 1.060 0 50 CDAA O=C(NCc1cc(-c2cccnc2)no1)[C@H]1CCCO1 299780601 KKHSQVLCPYSCRJ-CYBMUJFWSA-N 273.292 1.532 0 50 CDAA CC[C@@H](NS(=O)(=O)N1CCCC1)c1ccc(C)cn1 822656306 ISUUMOYFJJWBEK-GFCCVEGCSA-N 283.397 1.771 0 50 CDAA Cc1ccc(-n2cccn2)c(CN2C[C@@H]3NCCO[C@H]3C2)c1 825159228 UUXPGZLXQTYUDN-RDJZCZTQSA-N 298.390 1.353 0 50 CDAA CC(C)c1nccn1CCCNC(=O)c1cccc(N)n1 827573322 GLRKOZBKKAVBIP-UHFFFAOYSA-N 287.367 1.804 0 50 CDAA CCCc1nc(N2CCC(c3nc[nH]n3)CC2)no1 670461672 PZRJOBBFBOHEEG-UHFFFAOYSA-N 262.317 1.524 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)c1ccn(CC)c(=O)c1 584887733 UVZRLXPCUJQRNO-ZDUSSCGKSA-N 288.351 1.273 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1cccc2c1NCCC2 670438276 AXGJQHNQARTJQX-TZMCWYRMSA-N 299.374 1.595 0 50 CDAA CC(C)(O)[C@@H]1CCN(C(=O)CCC(=O)NC2CCCC2)C1 670462328 KDWNQUPTWGMOKU-GFCCVEGCSA-N 296.411 1.445 0 50 CDAA O=C(Nc1nc(CC2CC2)ns1)c1cnn(CCF)c1 952964332 JMPNQNXZYRSELW-UHFFFAOYSA-N 295.343 1.909 0 50 CDAA Cc1nc(C)c(CNC(=O)[C@@H](CO)c2ccccc2)[nH]1 1875286602 WZQXFPDRWYBBCG-ZDUSSCGKSA-N 273.336 1.419 0 50 CDAA O=C(NCc1cccnc1)N1CC(CO)(c2ccccc2)C1 1875270679 NRUAHTSWLBNBLS-UHFFFAOYSA-N 297.358 1.537 0 50 CDAA Cc1nc([C@H](C)NCc2ccc(N(C)C)nc2)n[nH]1 952979732 FQDBGZNPEDHVIK-VIFPVBQESA-N 260.345 1.425 0 50 CDAA Cc1cnc(NC[C@@H]2CCO[C@@H]2c2nc(C)no2)nc1 886094990 JTDGFFSYGCHWFL-QWRGUYRKSA-N 275.312 1.666 0 50 CDAA O=C(CCCC1CC1)N1CCN(Cc2cnccn2)CC1 888095149 KDJVKWUSNYJCRJ-UHFFFAOYSA-N 288.395 1.701 0 50 CDAA C[C@H]1C[C@H](CN)C[C@@H](C)N1C(=O)[C@@H](C)Oc1cccnc1 888095979 MPMINJQHOOISDC-XJFOESAGSA-N 291.395 1.823 0 50 CDAA Cc1cc2ncn(C[C@H](O)C3(O)CCC3)c2cc1C 899866565 LRBFPIMFKKWBAE-AWEZNQCLSA-N 260.337 1.929 0 50 CDAA C[C@@H](O)c1cccc(N(C)Cc2ccc(C(N)=O)cc2)n1 1774550367 DEFWKXNBDHFFHU-LLVKDONJSA-N 285.347 1.870 0 50 CDAA COc1ccc(C(=O)NCC2(C(=O)O)CCOCC2)cc1 165917177 BKICXDPKWPKMLI-UHFFFAOYSA-N 293.319 1.306 0 50 CDAA c1ccc2c(c1)N[C@@]1(CCCSC1)n1nnnc1-2 1775998088 ZMHPZYZMNBTOEQ-LBPRGKRZSA-N 259.338 1.945 0 50 CDAA C=CC(=O)N1CC[C@@H](n2cnc3ccccc3c2=O)C1 1776006425 PJUGZPBDHDHUMB-LLVKDONJSA-N 269.304 1.356 0 50 CDAA COc1nscc1Cn1cnc(C(F)F)cc1=O 1363749979 BBQZQVCKIVEXTN-UHFFFAOYSA-N 273.264 1.694 0 50 CDAA C[C@H]1CN(C(=O)CN(C)C2CCCC2)C[C@]1(O)C1CCC1 1565506280 WHVXNLQXDLFQMW-SUMWQHHRSA-N 294.439 1.870 0 50 CDAA O=S1CCN(c2nnc(C(F)(F)F)s2)CC1 186007287 XFLFUHJLTBYLIW-UHFFFAOYSA-N 271.289 1.126 0 50 CDAA CCn1nccc1S(=O)(=O)N1CCc2cnccc21 274555049 HXIXVLAQAVNDFQ-UHFFFAOYSA-N 278.337 1.049 0 50 CDAA Cc1cccc(C)c1CNCC1(O)CCS(=O)(=O)CC1 170062904 NUAWIZMFXAIDPM-UHFFFAOYSA-N 297.420 1.333 0 50 CDAA COc1c(CN2CCO[C@@H](C(F)F)C2)c(C)nn1C 585080705 RKAWCVQZOBYCKM-SNVBAGLBSA-N 275.299 1.203 0 50 CDAA CCc1nsc(N2CCOC[C@H]2c2ccnn2C)n1 585090447 OGYMHWCUXKFTJI-JTQLQIEISA-N 279.369 1.412 0 50 CDAA O=C(NCc1nccs1)[C@@H]1CCC[C@@H]2CCCN12 585121982 ITLGEJIXZWZLIZ-MNOVXSKESA-N 265.382 1.776 0 50 CDAA c1ccc(-n2cnnc2CNC[C@H]2CCCCO2)cc1 585117031 PKMCBALGMFYJIP-CQSZACIVSA-N 272.352 1.926 0 50 CDAA C[C@@H](CO)N(C[C@@H](C)O)C(=O)Nc1ccsc1 190087546 FOQZJHVTYIJYPL-DTWKUNHWSA-N 258.343 1.344 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1ccc2ccccc2n1 643763109 SUVQPQZYNKZKJE-KRWDZBQOSA-N 299.374 1.701 0 50 CDAA CC[C@H](C(=O)Nc1nccc(C)n1)N1CCCC1=O 194658591 JSCYGUHARKYYSO-SNVBAGLBSA-N 262.313 1.125 0 50 CDAA C[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21)n1cccn1 653328059 CYRAPQSMCHLDNC-LERXQTSPSA-N 299.330 1.874 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)c(F)c1 195544558 CPTNCKMMCALMKZ-CMPLNLGQSA-N 286.372 1.540 0 50 CDAA C[C@H](C(=O)Nc1ccn(C(C)(C)C(=O)O)n1)n1cccn1 659200176 JNLAKWOECXVYNO-SECBINFHSA-N 291.311 1.099 0 50 CDAA COc1c(N)ncnc1N1CCC[C@@H](N2CCCC2)CC1 571580923 DIYONDKANZGERR-GFCCVEGCSA-N 291.399 1.522 0 50 CDAA Cc1cc(Cn2nnnc2Cc2ccccn2)sn1 1188907952 SFXJAJHHCLYPCM-UHFFFAOYSA-N 272.337 1.472 0 50 CDAA COC1(c2noc(-c3cn(C)ccc3=O)n2)CCC1 1337834085 MPYWTHZIPLYAGU-UHFFFAOYSA-N 261.281 1.461 0 50 CDAA CN1C(=O)C[C@@H](C(=O)Nc2nccn2C)c2ccccc21 1506395939 PQWIVLQVUGOAQN-LLVKDONJSA-N 284.319 1.509 0 50 CDAA C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O 74733 PAUBDKVONJBMDJ-RXMQYKEDSA-N 298.147 1.745 0 50 CDAA in-vitro Cc1cc(C[C@@H]2CN(Cc3cccc(O)c3)C[C@H]2O)n[nH]1 1704279990 DNTAJNJSPFQTSL-CZUORRHYSA-N 287.363 1.459 0 50 CDAA CSCCN(C)c1cc(N[C@H]2CCCOC2)ncn1 328622027 AWYQZQXBOXNGOT-NSHDSACASA-N 282.413 1.867 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)NC1CC(C)C1 1615615577 RTKMQHOGTFNBOU-PRDDCLIZSA-N 274.364 1.710 0 50 CDAA CN(C)C[C@@]12CNC[C@H]1CN(C(=O)c1ccc(Cl)o1)C2 1772711320 HKBOMEUKTKMEMC-IINYFYTJSA-N 297.786 1.156 0 50 CDAA COc1ccccc1O[C@@H](C)C(=O)NC1CCN(C)CC1 12380627 NGJKADAQUYRZHE-LBPRGKRZSA-N 292.379 1.673 0 50 CDAA CC(C)=CCC[C@@H](C)CN1CCN(CCOCCO)CC1 19632853 YHQTWPCGEFEOQU-QGZVFWFLSA-N 298.471 1.995 0 50 CDAA CCOC(=O)Cn1cc(-c2ccc(C(=O)O)cc2)nn1 169725892 HDHYLLXCMBXWLB-UHFFFAOYSA-N 275.264 1.206 0 50 CDAA CN1CC2(C1)CN([C@H]1CCN(c3ccc(F)cc3)C1)C2 1857676269 NHTIENQYADRDTK-HNNXBMFYSA-N 275.371 1.652 0 50 CDAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1ccn(C(C)(C)C)c1 1857692368 BHMYRAMXCZKEAR-QWHCGFSZSA-N 279.384 1.350 0 50 CDAA CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N 539354 LUIAZGKXCGSIJK-UHFFFAOYSA-N 264.281 1.944 0 50 CDAA in-vitro CCOc1ccc(NC(=O)N2C[C@@H](C)[C@H](CN)C2)nc1C 632954870 GDTFYXYZPUOIPS-ZYHUDNBSSA-N 292.383 1.847 0 50 CDAA CNC[C@@H](C)C(=O)N1CCO[C@H](c2ccccc2F)C1 237176408 KXDNLNUNUSYSKQ-RISCZKNCSA-N 280.343 1.581 0 50 CDAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H]([C@H](C)N)C1 237467565 AOQWCKFXIRHPJK-GXFFZTMASA-N 294.399 1.002 0 50 CDAA Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CC[C@@H](N)C2)c1 237427702 PBUWPKUYHNWFDF-GHMZBOCLSA-N 282.771 1.975 0 50 CDAA C[C@H]1C[C@H](O)C[C@@H](C)N1CC(=O)N1CCc2ccccc21 241383320 MUGBIEALRHYHGA-AGGWBTHJSA-N 288.391 1.809 0 50 CDAA CCc1cnccc1C(=O)N1C[C@@H](COC)OC(C)(C)C1 343742203 BGCGWEOEDKHRRF-ZDUSSCGKSA-N 292.379 1.910 0 50 CDAA CC(C)[C@@]1(O)CN(C(=O)C2(Cn3cccn3)CC2)C[C@@H]1C 248158461 FJQJSHIDPAVANB-BBRMVZONSA-N 291.395 1.529 0 50 CDAA Fc1cnc(NCc2cc(O[C@@H]3CCNC3)ccn2)nc1 818627200 PZENSGNSYCTSNQ-CYBMUJFWSA-N 289.314 1.364 0 50 CDAA C[C@@H]1CCCCN1NC(=O)c1cnn(C)c1-n1cccc1 822409511 BXCVHXKGQUPQCV-GFCCVEGCSA-N 287.367 1.730 0 50 CDAA CNc1ccc(C)cc1CN[C@@H]1CCOC[C@H]1O 902625987 MCAVWMWGSHFLKF-ZIAGYGMSSA-N 250.342 1.276 0 50 CDAA CC[C@@H](NC1CC(CO)C1)c1cccc(OC)n1 926733511 URMVSEICETXJJX-HTAVTVPLSA-N 250.342 1.902 0 50 CDAA CCCN(C(=O)c1nc(C)n2ccccc12)[C@@H]1CCNC1 832626845 XYUMZXWIOIXPRU-CYBMUJFWSA-N 286.379 1.857 0 50 CDAA C[C@H]1Cc2cc(CNC(=O)Nc3cnnn3C)ccc2O1 931275640 CHBZLPVAVSMKHS-VIFPVBQESA-N 287.323 1.460 0 50 CDAA CCn1ncc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)n1 851894313 ZBYPOKUTNWHBFI-LBPRGKRZSA-N 297.366 1.730 0 50 CDAA O=C(O)c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)o1 237969643 ZAUJUQQQTWEORK-SECBINFHSA-N 279.292 1.619 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1.833 0 50 CDAA CCOc1cc(C(=O)N2CCO[C@@H](c3ccco3)C2)on1 450077185 VWCMLACJBRLAEK-GFCCVEGCSA-N 292.291 1.880 0 50 CDAA CN(Cc1nccs1)C(=O)CN(C)C1CCCC1 219323389 SNIPWMSCADEWPS-UHFFFAOYSA-N 267.398 1.976 0 50 CDAA Cc1noc(C(C)(C)NS(=O)(=O)c2ccccc2)n1 284579058 GXATVLHNEPVNGC-UHFFFAOYSA-N 281.337 1.592 0 50 CDAA Cc1ccccc1C1(C(=O)N2CCC[C@@H](N)C2)CC1 157800665 VNKWRBFRWGULRK-CYBMUJFWSA-N 258.365 1.976 0 50 CDAA O=C(c1ccoc1C1CC1)N1C[C@@H](F)C[C@H]1CO 336376082 PKBDESBJUOYEPG-UWVGGRQHSA-N 253.273 1.702 0 50 CDAA Cc1cc(N[C@@H]2CCC(=O)N[C@@H]2C2CC2)nc(C)n1 376489865 XGJWTVHMKKDXSW-BXUZGUMPSA-N 260.341 1.563 0 50 CDAA Cc1nn(C)c(NC(=O)[C@@H]2CCCOCC2)c1C 336609970 ANAQVSQZDRYTRI-LLVKDONJSA-N 251.330 1.792 0 50 CDAA CCN(CCCN1CCCC1)C(=O)[C@H]1CCCN1C(C)=O 239654427 BNKBLUPZIMKSAR-OAHLLOKOSA-N 295.427 1.332 0 50 CDAA COCCn1cnnc1CCNc1ccc2cc[nH]c2n1 72418481 PHEKBECMNQKVBB-UHFFFAOYSA-N 286.339 1.455 0 50 CDAA C[C@@H]1CCSCCN1C[C@@H](O)COC(C)(C)C 241644158 POSIQBPLJALLAP-VXGBXAGGSA-N 261.431 1.990 0 50 CDAA 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CC(C)n1cc(CN(C)C(=O)[C@H](C)n2ccnc2)cn1 426465479 PIWFBANHQWFYTJ-LBPRGKRZSA-N 275.356 1.880 0 50 CDAA Cc1c(S(=O)(=O)N(C)[C@H](C)c2cccnc2)cnn1C 293129187 VWGKXCDZYLUFGI-SNVBAGLBSA-N 294.380 1.505 0 50 CDAA CN(C)c1ccc(CN2C[C@H](C3CC3)[C@@H](N(C)C)C2)cn1 91809076 GEAAVOOVCYXCHV-CVEARBPZSA-N 288.439 1.920 0 50 CDAA O=C(C1CC1)N1CCN(Cc2ccccc2)C[C@@H](O)C1 95523354 CLEJMYNLUAPCSY-OAHLLOKOSA-N 274.364 1.102 0 50 CDAA Cc1cc(C)c(C(=O)N[C@@H]2COC3(CCCC3)C2)c(=O)[nH]1 91663052 PHLJYKICGXILHG-LBPRGKRZSA-N 290.363 1.823 0 50 CDAA COCCc1noc([C@H]2CCCN(C3CCOCC3)C2)n1 96153327 MTYINVDYTKWKKU-LBPRGKRZSA-N 295.383 1.617 0 50 CDAA CC(C)=CCCN1CCN(C)[C@@]2(CCC(=O)N(C)CC2)C1 230095042 ATPKKUMHDHLRDZ-QGZVFWFLSA-N 293.455 1.971 0 50 CDAA COc1cccn(C[C@H]2CCN(C(C)C)C2)c1=O 95529115 PLYYYMFIMWNHDP-LBPRGKRZSA-N 250.342 1.587 0 50 CDAA CNc1nc(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)cs1 92077917 IZCQXPCWHVLMHD-PWSUYJOCSA-N 296.440 1.843 0 50 CDAA CCCc1cc(N2CCC[C@H]2C(C)(C)O)n2ncnc2n1 181240016 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291.420 1.988 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2Cc2c[nH]cn2)c1 282162907 LVDMULYDWJDNIS-DZGCQCFKSA-N 273.336 1.726 0 50 CDAA O=S(=O)(Nc1cncnc1)c1ccc2c(c1)CCO2 362220128 WYSLUZMBARSWRV-UHFFFAOYSA-N 277.305 1.212 0 50 CDAA CC1(C)[C@@H](NC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)C[C@H]1O 365076390 GNXUUSQBMXGYIO-UKRLYRRISA-N 253.342 1.220 0 50 CDAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccccn1 328621159 AITZUEPCGJTDOX-KBPBESRZSA-N 272.352 1.825 0 50 CDAA O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCOC1 330268227 INMXHKQCIBKXQI-FRRDWIJNSA-N 267.350 1.251 0 50 CDAA CN(C)[C@@H](C(=O)NC1CCNCC1)c1cccc(F)c1 218872702 GMKHTFWNKSHAFA-CQSZACIVSA-N 279.359 1.297 0 50 CDAA O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCn2nccc21 367500241 KYSQIVXAJNVXOO-NSHDSACASA-N 288.351 1.021 0 50 CDAA Cc1cnn(CC(=O)N=c2cc(C)nc(C(C)C)[nH]2)c1 330719487 BETHOSIGXTYZFH-UHFFFAOYSA-N 273.340 1.474 0 50 CDAA Cc1cc(=O)[nH]c(CCNC(=O)CCC(F)(F)F)n1 219233740 WSDGDJOOPDBSQK-UHFFFAOYSA-N 277.246 1.080 0 50 CDAA CCCc1ncncc1C(=O)NC(C)(C)COCC 215748428 NIUNHEULFOXTPH-UHFFFAOYSA-N 265.357 1.974 0 50 CDAA CCOc1ccc(OCCN(C)c2ncncn2)cc1 219237285 DPKMJMRRHGYPLS-UHFFFAOYSA-N 274.324 1.786 0 50 CDAA Cc1cc(CN(C)C(=O)[C@@H]2CCN[C@H](C)C2)no1 235418851 VVYCMSBZZVVIFJ-MWLCHTKSSA-N 251.330 1.330 0 50 CDAA Cc1noc([C@@H]2CCN(Cc3ncnn3CC(C)C)C2)n1 331617968 QTRWIRTYZHXJAX-GFCCVEGCSA-N 290.371 1.615 0 50 CDAA CO[C@H]1C[C@@H](N(C)C(=O)NCC2CCN(C(C)=O)CC2)C1 331845782 HMPRLJNNNPAYQA-OKILXGFUSA-N 297.399 1.064 0 50 CDAA CC[C@H]1CC[C@H](C(=O)N2CCOC[C@H]2CC(=O)O)CC1 262121333 CBUNFHDSJALQBG-JHJVBQTASA-N 283.368 1.905 0 50 CDAA O=C(N[C@H]1CCc2nc[nH]c2C1)[C@H]1CCCS1 332769482 BCPLOSOSXHILER-GZMMTYOYSA-N 251.355 1.279 0 50 CDAA CCN1CCN([C@H]2CCN(C[C@@H]3CCSC3)C2)CC1 375749177 MTRDMPWNQROHFW-GJZGRUSLSA-N 283.485 1.451 0 50 CDAA CC[C@H](C)c1cc(C(=O)N2CCO[C@H](C(=O)O)C2)on1 236903381 WQERSYXZDGSBNJ-KWQFWETISA-N 282.296 1.114 0 50 CDAA CNc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 77320889 AVZJAVZZGAEFAR-UHFFFAOYSA-N 283.335 1.485 0 50 CDAA O=C(NCC1CCCCCC1)N[C@@H]1COC[C@H]1O 334086931 MKYNKJAPSXBDEA-VXGBXAGGSA-N 256.346 1.016 0 50 CDAA C[C@]1(C(=O)N2CCOc3cccc(F)c3C2)CCOC1 334391443 VHFRMZQHEAHRDJ-HNNXBMFYSA-N 279.311 1.973 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ncoc2C)C1 286572243 YOLKQGOZEOVCIQ-STQMWFEESA-N 293.367 1.308 0 50 CDAA Cc1csc(S(=O)(=O)NC[C@]2(C)CCC(=O)N2)c1 335224650 OEZBKGDCVNTKSJ-NSHDSACASA-N 288.394 1.004 0 50 CDAA Cc1cc2c(=O)n(CCOC(=O)N(C)C)cnc2cc1F 131583878 FCRKPZAOBKSGSJ-UHFFFAOYSA-N 293.298 1.542 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)Nc2ncn(C)n2)C1 48501685 NRPBDJIQFFYEPQ-SNVBAGLBSA-N 267.333 1.096 0 50 CDAA O=C(CN1CCCC1=O)N[C@H](C1CCCC1)C(F)(F)F 177638428 VDOBBZBLIAYHFT-GFCCVEGCSA-N 292.301 1.846 0 50 CDAA COC(=O)CCNC(=O)[C@@H]1CCN(c2ccccc2F)C1 289777788 LPZSUEPULNDZJZ-LLVKDONJSA-N 294.326 1.331 0 50 CDAA CCO[C@@H](C)C(=O)NCCc1nc(C)cc(C)n1 426573088 KZYLLAASBYNXOP-NSHDSACASA-N 251.330 1.177 0 50 CDAA Cc1nccn1CC(=O)N[C@H]1CCc2ccccc2C1 223685840 JDSARNCCGFZMSR-HNNXBMFYSA-N 269.348 1.865 0 50 CDAA CCCn1cc(CNC(=O)Cc2cccnc2)cn1 223290172 AAGQGUGNDBUGFU-UHFFFAOYSA-N 258.325 1.547 0 50 CDAA Cc1c(-c2ccnc(N3CCCC3)n2)cnc2ncnn12 40385325 DURZFUWMVRFCBV-UHFFFAOYSA-N 281.323 1.490 0 50 CDAA O=C(c1ncccc1OCc1ccncc1)N1CCNCC1 178343919 MZXSKLBDNRNXNZ-UHFFFAOYSA-N 298.346 1.101 0 50 CDAA CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3cnc[nH]3)cc2)C1 426684463 MHNGWFPHVXWVIW-CQSZACIVSA-N 298.346 1.427 0 50 CDAA Cc1cccc2c1cc(C(=O)N1CC=C[C@H]1C(=O)O)n2C 426477399 NJSJGQKSJLTCAQ-ZDUSSCGKSA-N 284.315 1.952 0 50 CDAA Cc1nnc(NC[C@@H](c2cccnc2)N2CCOCC2)o1 91526641 SIKNLWPJGMYATK-ZDUSSCGKSA-N 289.339 1.258 0 50 CDAA O=C(Nc1ccc(F)cc1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239402725 RCMPDKQHHLGASK-BIRIHMBJSA-N 275.279 1.962 0 50 CDAA Cc1[nH]nc(C(=O)NCCCc2csc(=N)[nH]2)c1Cl 426627618 DCSBAZJZGWIIBY-UHFFFAOYSA-N 299.787 1.603 0 50 CDAA Cc1nc(N(C)C)ncc1C(=O)N(C)[C@H](C)c1ccon1 95391069 ZGJSKIPNAKUNNU-SNVBAGLBSA-N 289.339 1.672 0 50 CDAA C[C@H](Cc1cnccn1)NC(=O)N1CCSCC1 426550389 IGXRBVOQNPFWCQ-SNVBAGLBSA-N 266.370 1.166 0 50 CDAA CC[C@@H](C(=O)N(C)Cc1snnc1C)n1cccn1 91459648 ZGUAKDKOHTZXEH-JTQLQIEISA-N 279.369 1.653 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC(F)(F)CC1 97696296 YNYDYLQDPIEFKK-UHFFFAOYSA-N 257.284 1.990 0 50 CDAA COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc(C)c4)C(=O)[C@H]13)O2 239175830 QRJQZLHDZVUXJT-FHIRATQRSA-N 299.326 1.454 0 50 CDAA CN(Cc1ccncc1)Cc1nc([C@@H]2CCOC2)no1 96166830 XPPRMWYPGHJBLU-GFCCVEGCSA-N 274.324 1.601 0 50 CDAA COc1cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)ccn1 95384250 AZVCWWJWXWELRY-UONOGXRCSA-N 291.395 1.748 0 50 CDAA C[C@@]1(c2ccccc2)CCCN(C(=O)CNC(N)=O)C1 91782195 YNGKSHRYQXFRAE-OAHLLOKOSA-N 275.352 1.235 0 50 CDAA CC(=O)N[C@H]1CCN(c2nccc(-c3ccncc3)n2)C1 97553316 AGSXENNSRFSJOI-ZDUSSCGKSA-N 283.335 1.253 0 50 CDAA CC[C@H](NC(=O)Nc1ncn(C)n1)c1nc(C)cs1 296948917 ZDWOIOIFZUVLSN-QMMMGPOBSA-N 280.357 1.853 0 50 CDAA CC[C@@H](C(=O)NCc1ccc(C(=O)NC)o1)n1cccn1 244601721 DQXJVXALFATDCO-NSHDSACASA-N 290.323 1.103 0 50 CDAA CN1N=C(C(=O)N[C@H]2CC(C)(C)OC2(C)C)CCC1=O 183054933 GFECVKNKBNSKIS-JTQLQIEISA-N 281.356 1.057 0 50 CDAA CC1=C[C@H]2[C@@H]3C[C@H]3[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 253591908 RLJXOXKMEGQXJX-MQYQWHSLSA-N 281.315 1.493 0 50 CDAA CCc1nnc(CN(C)Cc2ncc(C)c(O)c2C)o1 253536775 OCRFNUKCBREWQW-UHFFFAOYSA-N 276.340 1.981 0 50 CDAA CC[C@H](OC)C(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C 253419894 DLHPMUBYESNPAV-XQQFMLRXSA-N 254.374 1.497 0 50 CDAA COC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)OC)[C@H]1C[C@]21C 257357804 PXQBGFAXYRLVRH-YKZKYBHHSA-N 250.294 1.407 0 50 CDAA CCOC(=O)N1CC[C@H](NCCc2nc(C)cs2)C1 534675230 LNAREHCMJARUTG-NSHDSACASA-N 283.397 1.814 0 50 CDAA Cc1noc([C@H](C)NC(=O)c2cnc(C3CC3)nc2)n1 534632433 UZUQXGUQXQJGFY-ZETCQYMHSA-N 273.296 1.536 0 50 CDAA COC(=O)CCNC(=O)[C@@H](CCSC)n1cccc1 263586597 WBEKSCLMWXUDEJ-LLVKDONJSA-N 284.381 1.462 0 50 CDAA biogenic CC(C)C[C@H](C(=O)O)N1CCC(CC(=O)N(C)C)CC1 629486778 KRXBLAIQCCINBC-CYBMUJFWSA-N 284.400 1.676 0 50 CDAA CSCCC(=O)Nc1ccccc1NC(=O)CN(C)C 824892188 DBNCYLINXBDHMC-UHFFFAOYSA-N 295.408 1.878 0 50 CDAA CCCCS(=O)(=O)N1CC(Oc2ccccc2)C1 822877605 MWCPAXFGFJUVCE-UHFFFAOYSA-N 269.366 1.880 0 50 CDAA C[C@@H](CS(C)(=O)=O)NCc1nc2ccc(F)cc2[nH]1 584903311 TXQYSGJGUFZICW-QMMMGPOBSA-N 285.344 1.225 0 50 CDAA O=C(C1CCC1)N1CCCN([C@@H]2CCCOC2)CC1 584903153 YNWDSZMKHKGNOH-CQSZACIVSA-N 266.385 1.500 0 50 CDAA CCc1cc(N2CCN([C@@H]3CCSC3)CC2)ncn1 584884922 BBLGQKNPUKFFPN-CYBMUJFWSA-N 278.425 1.667 0 50 CDAA CO[C@H]1CN(C(=O)Cc2cc(C)ccc2C)C[C@@H]1O 584894165 NXIQAQZNJSBSBA-KBPBESRZSA-N 263.337 1.064 0 50 CDAA O=C(CCC(=O)N1CC[C@H](CO)C1)NC1CCCCCC1 584895442 AIUHSGGDJUXZAT-ZDUSSCGKSA-N 296.411 1.446 0 50 CDAA Cc1ccccc1OCCC(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 584901282 DOHAOLAVWVGDGA-GASCZTMLSA-N 288.391 1.784 0 50 CDAA c1cc2nc[nH]c2c(N2CCN3CCCC[C@@H]3C2)n1 863982502 PSSNTYWPGZYJOB-LLVKDONJSA-N 257.341 1.632 0 50 CDAA Cc1nc2ncccn2c1C(=O)N[C@H]1CCc2c[nH]nc2C1 670473670 GFUVKCCLPSQWFF-NSHDSACASA-N 296.334 1.048 0 50 CDAA O=C(O)Cc1ccc(S(=O)(=O)C(F)F)cc1 68577368 CDCGAFJAGLMQOT-UHFFFAOYSA-N 250.222 1.310 0 50 CDAA in-vitro O=C(NO[C@@H]1CCOC1)[C@H](c1ccccc1)n1cccn1 1875259423 MADRFIFFHUYRAL-KGLIPLIRSA-N 287.319 1.309 0 50 CDAA Cn1nc(C(=O)NOC2CCC2)c2cc(F)ccc21 1875284482 VYYZBPCQANMVGB-UHFFFAOYSA-N 263.272 1.926 0 50 CDAA Oc1ccc([C@@H]2CN(CCn3cccn3)CCN2)cc1 1875279092 ZOFCWLOMZUXQCF-HNNXBMFYSA-N 272.352 1.235 0 50 CDAA CCOC(=O)c1cnc(NCc2ncc(C)cn2)nc1 1875299816 XEHKABQGQXPNKE-UHFFFAOYSA-N 273.296 1.364 0 50 CDAA Cc1cc(C(=O)N2CCSCC2)c2nc(C)n(C)c2n1 1875306355 BHNLZKMNLZSQOU-UHFFFAOYSA-N 290.392 1.774 0 50 CDAA COC(=O)/C=C/CNC(=O)Cc1cn2cccc(C)c2n1 1875333372 QGGIRKQHRNXFOO-ZZXKWVIFSA-N 287.319 1.031 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1cncc2c1CCC2 1875369948 SFKLPCHZNZCISP-UHFFFAOYSA-N 259.309 1.153 0 50 CDAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)[C@@H]1CCN1 952971860 YHKKYNMSTCTPPE-ZDUSSCGKSA-N 286.379 1.624 0 50 CDAA Cc1ccoc1CN1CCC[C@](O)(Cc2nncn2C)C1 886088089 BXBDOXLOPJXMER-HNNXBMFYSA-N 290.367 1.286 0 50 CDAA Cc1noc(C[C@@]2(O)CCCN(Cc3conc3C)C2)n1 886091784 VENOAMNJALRCEG-AWEZNQCLSA-N 292.339 1.244 0 50 CDAA C[C@H](O)C1CCN(C(=O)c2ccc(O)cn2)CC1 1174611753 GTNQOZAAJIHHSF-VIFPVBQESA-N 250.298 1.020 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)c1cn(C2CC2)nn1 887539272 JFBOYKCQKGTUHD-UHFFFAOYSA-N 276.340 1.038 0 50 CDAA CC(=O)NC[C@H]1CN(Cc2c(C)nsc2C)CCCO1 888103533 LBVUAMAZFVBCMM-ZDUSSCGKSA-N 297.424 1.487 0 50 CDAA CC(C)(C)OC(=O)N1CC(=O)C[C@@]12CCCOC2 1772715699 SHWILQXMQGRDOT-CYBMUJFWSA-N 255.314 1.746 0 50 CDAA O=C(c1ccc2nnc(O)n2c1)N1CC[C@@H]1C1CCCC1 889402014 BAWMJSSUEXCEJG-GFCCVEGCSA-N 286.335 1.840 0 50 CDAA Cc1ccn2cnc(C(=O)NC3CC4(C3)C[C@@H]4N)c2c1 1775961171 FBWVOIRRZRMTJO-JYHUIVOISA-N 270.336 1.252 0 50 CDAA C[C@H]1CC(n2ncc3cn(C)nc3c2=O)C[C@H](C)O1 899359783 GTMOMMKHLGISTF-IUCAKERBSA-N 262.313 1.259 0 50 CDAA Cn1cccc1[C@@H]1COCCN1C(=O)[C@H]1CCCO1 163916682 ISLRMCUNLNGCCZ-QWHCGFSZSA-N 264.325 1.104 0 50 CDAA CC(C)c1nc(CCNC(=O)[C@H]2C[C@@H]2C(=O)O)cs1 268928487 XDDXWVIZWVTGTD-UWVGGRQHSA-N 282.365 1.646 0 50 CDAA CNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1361771699 ROBMDHBPQOHEIR-UHFFFAOYSA-N 285.134 1.993 0 50 CDAA CCOCC(=O)N[C@H]1CCO[C@@H]1c1ccc(OC)nc1 275440103 QKBSRHYOUZFODK-SMDDNHRTSA-N 280.324 1.073 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)NCC1(CO)CCOCC1 408474508 AUQXXKSQWLXABJ-STQMWFEESA-N 285.384 1.097 0 50 CDAA C[C@@H]1CCCN(C(=O)C[C@@](C)(O)c2ccccc2)[C@@H]1CO 221767881 YWLIRWWVUNDKQR-FRFSOERESA-N 291.391 1.904 0 50 CDAA CO[C@]1(C)C[C@H](Nc2nc(N)c3cnn(C)c3n2)C1(C)C 278284593 FTXQYEJDCUYCBP-LKFCYVNXSA-N 290.371 1.561 0 50 CDAA CC(C)(C)[C@H](O)CNC(=O)c1c(O)cccc1F 170599270 MNAOXXSBIPCTTK-SNVBAGLBSA-N 255.289 1.668 0 50 CDAA CCN(c1cccnc1)S(=O)(=O)c1cn(C)c(C)n1 171708031 ABHXCWCGRGCXJD-UHFFFAOYSA-N 280.353 1.339 0 50 CDAA O=C([C@H]1CCCN1)N1CCC(OCc2ccccc2)CC1 192941935 ZNKCTICMDUNXGM-MRXNPFEDSA-N 288.391 1.946 0 50 CDAA CC(=O)N1CCC[C@H](C(=O)Nc2ccc3[nH]ncc3c2)C1 193052300 WIDACSBDBDUFFS-NSHDSACASA-N 286.335 1.760 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@]23CCOC3)o1 194419462 VPXXHALHFUVWJE-CYBMUJFWSA-N 251.282 1.220 0 50 CDAA CCN(C(=O)c1cnc2onc(C)c2c1)c1cnn(C)c1 655329482 YBCKENXINDPXMV-UHFFFAOYSA-N 285.307 1.931 0 50 CDAA CO[C@@H]1CN(Cc2cccc3[nH]ccc23)C[C@H]1c1cnn[nH]1 668576562 NCNCXPMHMXJODL-XJKSGUPXSA-N 297.362 1.900 0 50 CDAA CCC[C@@H](C(=O)O)N1CCC[C@@H](n2ccnn2)C1 581197114 VRHVHMMSJJJMKF-MNOVXSKESA-N 252.318 1.168 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)O 676034354 DHKLVENYPLOOBZ-CDMKHQONSA-N 279.311 1.841 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@@H](C(N)=O)C2)C1 584907099 PQTKIJUOLFCAEZ-NWDGAFQWSA-N 297.399 1.051 0 50 CDAA CCc1ccc([C@@H](COC)NS(=O)(=O)c2ncc[nH]2)o1 585086194 BSHQCXBRZIXKNK-SNVBAGLBSA-N 299.352 1.231 0 50 CDAA O=C(c1ccc2c(c1)COB2O)N1CCC[C@H](C2CCC2)C1 585007960 DPWCZBGDPSKWKM-AWEZNQCLSA-N 299.179 1.557 0 50 CDAA CCOc1cncc(=NC(=O)CCc2ccncc2)[nH]1 585130219 KOJPBNRNYQDPSS-UHFFFAOYSA-N 272.308 1.264 0 50 CDAA NC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)nn1 772934143 SXTGXZNRFZBWEZ-UHFFFAOYSA-N 270.214 1.444 0 50 CDAA Cc1nnc(CN2CC[C@H]3CC[C@@H](C2)N3C)s1 773431857 MWULHAZCQZUORJ-MNOVXSKESA-N 252.387 1.515 0 50 CDAA O=C1CN(CCCn2ccnc2)CCN1C1CCCC1 1506431773 YKTTUVTUYSFCHR-UHFFFAOYSA-N 276.384 1.360 0 50 CDAA FCC[C@@H]1CN(c2cc(C(F)F)ncn2)CCO1 928996642 ZUNSADAGVGZATF-MRVPVSSYSA-N 261.247 1.979 0 50 CDAA COc1nc(N2CCN(CC(F)(F)F)CC2)ncc1F 1529101669 KJWKRSSHEWEECN-UHFFFAOYSA-N 294.252 1.309 0 50 CDAA CC(C)c1nsc(N[C@@H]2CCCN(CCO)C2=O)n1 133193605 UWWMKLYLFIDDPC-SECBINFHSA-N 284.385 1.057 0 50 CDAA CC(C)CCCC(=O)N(CCO)Cc1ncc[nH]1 1704308764 JADAZEWFEVSEEW-UHFFFAOYSA-N 253.346 1.557 0 50 CDAA CCO[C@@]1(C)C[C@H]1NC(=O)N(C)Cc1cccc(O)n1 1615553540 LTNWRILNJWPIKX-RISCZKNCSA-N 279.340 1.496 0 50 CDAA COc1cccnc1C(=O)N1CCCC[C@]12CCOC2 1615615653 QDWPGVHAZATNAK-OAHLLOKOSA-N 276.336 1.875 0 50 CDAA O=C(c1cc(Br)c[nH]1)N1C[C@@H](F)C[C@H]1CO 583620920 FCTQMILYXJZGLT-YUMQZZPRSA-N 291.120 1.322 0 50 CDAA CCn1ccnc1CN(C)C[C@@H]1CCC(=O)N(C(C)C)C1 1775979546 JXJFFOQNOGEJEJ-AWEZNQCLSA-N 292.427 1.982 0 50 CDAA OCC1(CO)[C@@H]2CN(CC3CCC(F)(F)CC3)C[C@H]21 1772707909 XYHUYORSEGDGNS-VXGBXAGGSA-N 275.339 1.345 0 50 CDAA Cc1nnc(CN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)o1 1772813442 ATNNRPLGZVSPEU-LBPRGKRZSA-N 280.372 1.457 0 50 CDAA COc1ccnc(C(=O)NCc2cccn3nccc23)c1 1772812181 IBEQUVNBNHFYEL-UHFFFAOYSA-N 282.303 1.668 0 50 CDAA Cc1nc(-c2ccc3c(c2)OCO3)n([C@H]2CCOC2)n1 1772810579 LSBLLXBWTWPOTF-NSHDSACASA-N 273.292 1.944 0 50 CDAA NC(N)S[C@@H](CN1CCCCC1)C(F)(F)F 19323451 ZNFKQGOUOBQICP-ZETCQYMHSA-N 257.325 1.337 0 50 CDAA Cc1ccc(C(=O)NCCCN2CCOCC2)c(C)c1 19877547 FNJFSFDFDUNBGA-UHFFFAOYSA-N 276.380 1.756 0 50 CDAA Cc1nc[nH]c1CC(=O)N1CCc2[nH]nc(C3CC3)c2CC1 1857733692 UXIWOCNDZCJLDF-UHFFFAOYSA-N 299.378 1.489 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)c1ccccc1 2541624 WEIHMMMBXBQYNT-VXGBXAGGSA-N 267.325 1.606 0 50 CDAA in-vitro Cc1ccc(CCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4387482 DJNNBIJDHDMUPE-AWEZNQCLSA-N 295.404 1.621 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)c1cccc2c1OCO2 237426036 HESIQCGNJHPTPG-NXEZZACHSA-N 262.309 1.367 0 50 CDAA C[C@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1cnn(C)c1 130124157 USLCLKVVQRYRES-NWDGAFQWSA-N 279.388 1.074 0 50 CDAA CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C 13152290 NFLJSIWSVPZDNP-UHFFFAOYSA-N 282.369 1.243 0 50 CDAA C[C@H](CNC(=O)N1C[C@@H](F)C[C@H]1CO)c1ccccn1 665419071 AQZAZWWQGAZRME-WOPDTQHZSA-N 281.331 1.299 0 50 CDAA CON(C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 22113888 ITCQNWXLNZGEHP-UHFFFAOYSA-N 272.345 1.653 0 50 CDAA in-vitro COc1cccnc1N(C)C(=O)c1cnc(N(C)C)cn1 904037620 MABJBABBXIKMKY-UHFFFAOYSA-N 287.323 1.223 0 50 CDAA O=C(O)c1ccc(NC[C@@H]2CCc3cccnc32)nn1 910385638 LBWAMFRXYAOIAM-JTQLQIEISA-N 270.292 1.712 0 50 CDAA Cc1ccc(CN2CCCC[C@H]2CS(N)(=O)=O)nc1 931230115 SUBDXGLJPJXCHF-ZDUSSCGKSA-N 283.397 1.033 0 50 CDAA COc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ncn1 935663563 WDHZYFGGLBVKQU-GFCCVEGCSA-N 290.367 1.232 0 50 CDAA Cc1nonc1-c1csc(N2CCO[C@H](C)C2)n1 849180261 BOJZIBXBORJBCX-SSDOTTSWSA-N 266.326 1.727 0 50 CDAA CC1(C)[C@H]2CCC[C@H]2[C@@H]1NCCS(=O)(=O)C1CC1 850474805 QNMZRANDCYPSRH-AGIUHOORSA-N 271.426 1.978 0 50 CDAA CCn1cc(C=O)c(CN2C(=O)c3ccccc3C2=O)n1 1857780275 ZBIKNTWDFUWPNO-UHFFFAOYSA-N 283.287 1.512 0 50 CDAA Cc1cc(C)c(CNC(=O)c2cnc(O)cn2)cn1 223230509 XXGCKRKBFYLFKC-UHFFFAOYSA-N 258.281 1.124 0 50 CDAA C[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCCC[C@@H]1C 225222697 CFWSDSLZPMVERL-IHRRRGAJSA-N 268.401 1.623 0 50 CDAA C[C@H](Oc1ccccc1Cl)C(=O)N1CCNC[C@H]1C 124648365 YMKZAHPEWDCTOY-MNOVXSKESA-N 282.771 1.928 0 50 CDAA CCc1occc1C(=O)N(C)CC1(O)CCOCC1 234174638 XKEDBZKYBSDNDU-UHFFFAOYSA-N 267.325 1.456 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)[C@H]2CC23CCOCC3)C1 128540594 YGRVQVUSRRAOGS-GHMZBOCLSA-N 267.325 1.126 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)c1cccc(C(=O)O)c1 237232023 YMTDPOUWZQDXFG-JTQLQIEISA-N 263.293 1.493 0 50 CDAA CO[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 151884929 BAHUQIMWGVDCOY-KBPBESRZSA-N 262.353 1.366 0 50 CDAA CC(C)c1nc(C(=O)N2CCC[C@@H]2C(=O)O)cs1 263298898 MZSFPZLVKMBEHD-SECBINFHSA-N 268.338 1.956 0 50 CDAA Cc1cc(C(=O)NCC2(CO)COC2)sc1C 269601208 MMWGGEXEOBBFTF-UHFFFAOYSA-N 255.339 1.104 0 50 CDAA O=C(CCC(F)(F)F)N1CCC[C@]2(CCNC2)C1 67673866 YAKZIUQWVVAQCF-LLVKDONJSA-N 264.291 1.931 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H](F)C2)c(F)c1 414321817 FQBGPMFHFNXORA-MRVPVSSYSA-N 291.275 1.256 0 50 CDAA C[C@@](O)(CN1CCC[C@@H](Cn2cncn2)C1)C(F)(F)F 330381079 HZPKBOCXSDMPLO-GHMZBOCLSA-N 292.305 1.303 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)c1cc(C2CC2)on1 426396059 YBXQJNZTYGXDBQ-UHFFFAOYSA-N 274.324 1.864 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)CC[C@@H]1CCCO1 643849978 IWSKDSHNSBDGPU-FZMZJTMJSA-N 285.340 1.038 0 50 CDAA CN(Cc1ccc(S(C)(=O)=O)cc1)CC1(C)COC1 336797665 BBTGKZQORHZLRF-UHFFFAOYSA-N 283.393 1.558 0 50 CDAA CCC[C@@]1(C(=O)O)CCCN(C(=O)CN2CCCC2)C1 91860524 ADIAQTDXSMMEHB-OAHLLOKOSA-N 282.384 1.576 0 50 CDAA O=C(O)[C@@]1(n2ncc(C3CC3)n2)C[C@@H]2CSC[C@@H]2C1 2325789558 XQTAPKSCVQROLJ-DDFAGTSDSA-N 279.365 1.708 0 50 CDAA CN1C[C@@H](C(=O)N[C@@]2(C)CCC(C)(C)C2)CC1=O 2325810514 ORPBAPLEAMVCHH-HZMBPMFUSA-N 252.358 1.550 0 50 CDAA CC(C)(O)[C@@H]1Oc2c(ccc3c2CO[C@](C)(O)C3)C1=O 2332918184 MNVJPXIUNYWXPR-HIFRSBDPSA-N 278.304 1.182 0 50 CDAA O=C(CSc1nncc(O)n1)NCCc1ccccc1 1282322 WIJQNZDFBFEQHF-UHFFFAOYSA-N 290.348 1.028 0 50 CDAA CC(C)CCNC(=O)C(=O)NCCc1ccccc1 2993507 XGWHSOOCCBVRRW-UHFFFAOYSA-N 262.353 1.508 0 50 CDAA Cc1cc(F)cc(-c2nc(N3CCOCC3)n[nH]2)c1 2356156529 GHMHRCVDJWOUSX-UHFFFAOYSA-N 262.288 1.756 0 50 CDAA C[C@H](NC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCCO1 4750046 NHVPEYNDROUJJM-CMPLNLGQSA-N 277.320 1.755 0 50 CDAA Cc1cc(C(F)F)oc1C(=O)N1CC(=O)N(C)C[C@@H]1C 861186105 GJETVAVNFXSMIF-QMMMGPOBSA-N 286.278 1.828 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(O)c1)[C@H]1C=C[C@H]2C1 100301327 JYVVSOYSBKBJHG-VDUILEQBSA-N 255.273 1.704 0 50 CDAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cccc(F)c1 54253809 DENXAUSQVJKRAE-LBPRGKRZSA-N 280.299 1.402 0 50 CDAA Cc1nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c[nH]1 20859433 IZWUNGGLBGIDEH-UHFFFAOYSA-N 273.292 1.719 0 50 CDAA COc1ccc(C)cc1[C@H](C(=O)O)N(C)CCCO 55134201 DQGBPMNPJHOUBX-CYBMUJFWSA-N 267.325 1.444 0 50 CDAA NCCc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3 100765427 SKTIZSRPCXRDHX-UHFFFAOYSA-N 284.359 1.993 0 50 CDAA in-vitro CCN1C[C@H](C(=O)Nc2ccc(C)nc2)CCC1=O 20877532 GNMQRYKTWRPROI-LLVKDONJSA-N 261.325 1.587 0 50 CDAA CC(=O)N[C@H]1CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C1 67884103 JPZUVPIYYVZHBI-HNNXBMFYSA-N 299.374 1.547 0 50 CDAA CCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)n[nH]c1=O 67909172 WCWIVPATIMHYFW-LBPRGKRZSA-N 286.335 1.107 0 50 CDAA Cc1occc1C(=O)N(CCN(C)C)C[C@H]1CCCO1 67880881 NJMYAEUWNSLTGD-CYBMUJFWSA-N 280.368 1.771 0 50 CDAA O=C(COc1cccnc1)N1CCC[C@H](c2ccn[nH]2)C1 67743058 LTMQNQPMNYUTSF-LBPRGKRZSA-N 286.335 1.590 0 50 CDAA Cc1cc(-n2nc(C3CC3)nc2[C@H]2COCCO2)ccn1 65508194 IOJXZQPLINVYLC-CYBMUJFWSA-N 286.335 1.936 0 50 CDAA Nc1nccc(N2CCCC3(CCNCC3)CC2)n1 67841778 PEAPNMKGARFKHG-UHFFFAOYSA-N 261.373 1.419 0 50 CDAA CC(C)n1nccc1N1C(=O)[C@]2(CCSC2)N=C1O 328594908 FWQPBNHPMJXWSD-GFCCVEGCSA-N 280.353 1.600 0 50 CDAA CN(C)C(=O)CN(CC(=O)OC(C)(C)C)CC(F)(F)F 328591395 BTRYVALJSHEOIO-UHFFFAOYSA-N 298.305 1.281 0 50 CDAA CCn1cnnc1[C@H]1CN(CCCOC(C)C)CCO1 328630202 JEICPWNEVIQVBW-CYBMUJFWSA-N 282.388 1.486 0 50 CDAA CN1CC[C@@H](CN[C@H]2CCOC2)[C@@H]1c1cccnc1 328651000 VSKCMLWQCZDAIW-KKUMJFAQSA-N 261.369 1.453 0 50 CDAA CC[C@@H](C)N(C(=O)CS(C)(=O)=O)C1CCCC1 65385512 ZQFWGPUPHFCNQP-SNVBAGLBSA-N 261.387 1.601 0 50 CDAA CCOC(=O)[C@@H]1CNc2cc(CC(=O)OC)ccc2O1 1399624 VWIYMSQBFFUYEC-LBPRGKRZSA-N 279.292 1.138 0 50 CDAA CCCCC[C@H](C)NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 239165112 NLROVRSIEBLLOY-CLPYTZEMSA-N 283.368 1.950 0 50 CDAA Cc1cc(C)n([C@@H]2CCN(c3nc(C)nc4c3CNC4)C2)n1 72163115 NBTOWULDRIJMLZ-CYBMUJFWSA-N 298.394 1.653 0 50 CDAA CC(C)c1cc(N2CCC(CO)CC2)nc(N(C)C)n1 360225840 SJWTVSDMERFVLF-UHFFFAOYSA-N 278.400 1.875 0 50 CDAA C[C@H](O)CS(=O)(=O)Cc1csc(Br)c1 331357777 UJGGOGQHTBTHHR-LURJTMIESA-N 299.211 1.806 0 50 CDAA Cc1cccc(CN2CCOC[C@H]2CC(=O)O)n1 128704272 CYBGSPOBCWKXFV-GFCCVEGCSA-N 250.298 1.066 0 50 CDAA CS[C@@H]1CCC[C@@H](NC(=O)C2(C(=O)O)CC2)C1 154904010 DDLMVMZGVDVJNG-RKDXNWHRSA-N 257.355 1.642 0 50 CDAA Cc1c(C(=O)N2CCN[C@H](C)C2)cnn1C(C)(C)C 155004581 OQSNOWJMRWKICE-SNVBAGLBSA-N 264.373 1.380 0 50 CDAA COc1ccc(/C=C/C(=O)N2CCC[C@@H]2CN)cc1F 237304987 ZAIMLMJJHWROPJ-HOSRBBHYSA-N 278.327 1.797 0 50 CDAA Cc1cc(F)c(C(=O)N2CCO[C@H](CC(=O)O)C2)cc1F 237649812 BKMRGRFLCNJYNZ-SECBINFHSA-N 299.273 1.589 0 50 CDAA CCn1nc(C)c(C(=O)N2CCC[C@H](CNC)C2)c1Cl 159109209 RZHVMXIICQTWKA-LLVKDONJSA-N 298.818 1.936 0 50 CDAA CN[C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[C@H]1OC 449179458 ZYDFJCUKJMHZFG-YNEHKIRRSA-N 270.417 1.942 0 50 CDAA Cc1c(C(=O)N2CCNCC2)cnn1C1CCCC1 237758288 QBONPYCDSWOCGU-UHFFFAOYSA-N 262.357 1.352 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CC[C@H](N(C)C)C2)nn1C(C)C 450350189 WMQVSKDFYNUSMY-OLZOCXBDSA-N 278.400 1.985 0 50 CDAA Cc1nc(S)sc1CC(=O)N[C@@H]1CCO[C@H]1C 129791025 RIUWMMBSBKJFDJ-JGVFFNPUSA-N 272.395 1.576 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 238174095 CZTCJCNDORUKHM-JGVFFNPUSA-N 269.247 1.659 0 50 CDAA O=C(O)c1cccc(N2CC[C@](CO)(c3ccccc3)C2)n1 262965652 ALJAIYYITGIHBL-KRWDZBQOSA-N 298.342 1.920 0 50 CDAA C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cnccn1 126981500 BXKZUVQBGQWWNE-ZANVPECISA-N 255.277 1.980 0 50 CDAA C[C@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccn(C)n1 335406542 FMJJOCDHYAAAHI-JQWIXIFHSA-N 271.386 1.667 0 50 CDAA CC(C)OCCCC(=O)N1CC[C@@](O)(C2CC2)C1 373249381 HVWVQVJKLCGGIU-AWEZNQCLSA-N 255.358 1.565 0 50 CDAA C[C@H](CC(=O)N(C)CC(N)=O)c1cccc(F)c1 239667668 BRDBVOHFLVUANT-SECBINFHSA-N 252.289 1.263 0 50 CDAA CC1(C)Cc2cccc(CN3CCOC[C@H](CO)C3)c2O1 77555990 GXYWFZPQIRLKAS-ZDUSSCGKSA-N 291.391 1.841 0 50 CDAA CN(CC(N)=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 242304968 YTRIOBOXNICEGD-ZYHUDNBSSA-N 289.162 1.369 0 50 CDAA Cc1cnccc1CC(=O)NCCN1CCCC1(C)C 457066365 YWWIGIOOPHQMGK-UHFFFAOYSA-N 275.396 1.923 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(c2ncc(Cl)cc2F)C1 284439087 BKQHFHNLORCBBL-SCZZXKLOSA-N 297.721 1.959 0 50 CDAA CC[C@H](NC(=O)CCS(C)(=O)=O)c1ccc(OC)cc1 75512570 OWBLNEIIOXUZKB-ZDUSSCGKSA-N 299.392 1.697 0 50 CDAA Cc1ccsc1-c1nccn1CCN(C)S(C)(=O)=O 77406002 ZPMALFGLAMYFIU-UHFFFAOYSA-N 299.421 1.811 0 50 CDAA Cc1oc(C(C)C)cc1C(=O)NCC(=O)N1CCOCC1 285775209 JSWGAZZFJADUHT-UHFFFAOYSA-N 294.351 1.300 0 50 CDAA COCC(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C1 496935979 CLXRRLPANXUOLM-NWDGAFQWSA-N 298.383 1.348 0 50 CDAA C[C@@H](CC(=O)NCCc1n[nH]c(N)n1)c1ccccc1 222440075 JKIHTNQUYBSIME-JTQLQIEISA-N 273.340 1.239 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)[C@@]1(C)CCCO1 426478756 KYWDGPBHVWZXIE-CQSZACIVSA-N 275.308 1.750 0 50 CDAA COc1ccc(-c2cc(CO)ncc2F)c(OC)n1 426489684 RMDZENKWTDCBMH-UHFFFAOYSA-N 264.256 1.792 0 50 CDAA C[C@H]1CN(S(C)(=O)=O)[C@@H](c2ccccc2)CO1 227254058 BWUUEXXJIVQRHV-CMPLNLGQSA-N 255.339 1.408 0 50 CDAA O=C1CCc2cc(C(=O)N3CC[C@@H](C(=O)O)C3)ccc2N1 178268796 JDCVPCXRZJBHQK-LLVKDONJSA-N 288.303 1.118 0 50 CDAA COCCN(Cc1sccc1C)C(=O)[C@H](C)N(C)C 426358227 GFZMZPUWOBCNBS-LBPRGKRZSA-N 284.425 1.982 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)CCc1ccnn1C 426646980 FXIMQJKFEQZTSN-SNVBAGLBSA-N 289.383 1.580 0 50 CDAA O=C(NCc1cccc2[nH]ccc12)[C@@H]1CCS(=O)(=O)C1 426513625 IXRMWCGJZUJFFL-LLVKDONJSA-N 292.360 1.219 0 50 CDAA Nc1nc(CCC(=O)N2CCC(F)(F)CC2)cs1 97402290 HDGLHXKMAWDZFD-UHFFFAOYSA-N 275.324 1.916 0 50 CDAA CCc1c(C(=O)N[C@@H](CC)C(N)=O)cnn1C(C)(C)C 291808531 XTWOIHNFBADUEL-JTQLQIEISA-N 280.372 1.194 0 50 CDAA COc1cccc(-c2n[nH]cc2C(=O)N2CC[C@@H](O)C2)c1 91817727 OYJIFDLYTXQFHV-LLVKDONJSA-N 287.319 1.292 0 50 CDAA COc1ccc(C(=O)N2CC[C@]3(CCCN(C)C3=O)C2)o1 91644016 FMZFUVOIFGCGTN-OAHLLOKOSA-N 292.335 1.373 0 50 CDAA O=C(c1ccno1)N1CCC(Oc2cccnc2)CC1 90685544 HTWSHNMMNHXHQK-UHFFFAOYSA-N 273.292 1.753 0 50 CDAA COc1ccc(F)c(F)c1CN1CC[C@](C)(O)[C@@H](O)C1 96139594 CQJIRISVSFKZTO-JSGCOSHPSA-N 287.306 1.291 0 50 CDAA CC(C)NC(=O)CNC(=O)[C@H](c1ccccc1F)N(C)C 91441562 VEZJJWWHSXQCNH-AWEZNQCLSA-N 295.358 1.069 0 50 CDAA O=C(c1cc(-c2ccc(O)cc2)[nH]n1)N1[C@H]2CC[C@@H]1CNC2 91473877 ILCNFZDETAJKPC-TXEJJXNPSA-N 298.346 1.359 0 50 CDAA COCCC[C@@]1(CO)CCCN(C(=O)C=C(C)C)C1 91305504 CZPOHBVQDIKKAN-HNNXBMFYSA-N 269.385 1.980 0 50 CDAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CCC(N)=O)C1 95352871 MRYQSDAGFKBYRR-GFCCVEGCSA-N 292.383 1.436 0 50 CDAA CC[C@@H](NC(=O)c1c(O)cccc1F)[C@H]1C[C@H](O)C1 252536929 JUSOVJSSZAMCRF-FXPVBKGRSA-N 267.300 1.811 0 50 CDAA CC(C)c1[nH]ncc1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 253394668 REJGDCJQRZTPRG-CHWSQXEVSA-N 292.383 1.078 0 50 CDAA Cc1ccc2nc(CCCNS(C)(=O)=O)[nH]c2c1C 534645399 JMWDCZRUJQCYOZ-UHFFFAOYSA-N 281.381 1.662 0 50 CDAA COC(=O)[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 260651120 SKZQTWKTEQZFHW-JTQLQIEISA-N 273.329 1.167 0 50 CDAA Cc1cc(=NCc2ccc(CN)cc2)[nH]c(N2CCCC2)n1 534676077 IRLKUQIOEQUDKI-UHFFFAOYSA-N 297.406 1.878 0 50 CDAA COC1(OC)CC[C@H]1N[C@H]1CCN(c2ncccc2F)C1 864097257 RAMMOLPSMPDHBX-WCQYABFASA-N 295.358 1.541 0 50 CDAA C[C@H](CN(C)CCO)NCc1ccccc1-n1ccnc1 584886786 RFSGUUZYJSQSPI-CQSZACIVSA-N 288.395 1.275 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)c1ccc(O)c(F)c1 584892673 VWCMCRBRYHUDGS-UHFFFAOYSA-N 282.315 1.566 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H](C)c1cnn(C)c1 584901999 JXUCUTLGCWAVQC-QMMMGPOBSA-N 273.340 1.820 0 50 CDAA c1[nH]nc2c1CC[C@@H](NC1CSCCSC1)C2 670465139 LRTIFSDAGRXQEG-SNVBAGLBSA-N 269.439 1.705 0 50 CDAA CCCCn1ncnc1[C@@H](C)N1CCN(C)CC1 670452594 DJHYUMIGHKDYGH-GFCCVEGCSA-N 251.378 1.387 0 50 CDAA Cn1cnnc1CCC(=O)NCc1ccc2ccccc2n1 670437039 KANKLJWFZFSMIA-UHFFFAOYSA-N 295.346 1.612 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 269193008 PBCXDGLFPLXSJF-CYBMUJFWSA-N 299.330 1.348 0 50 CDAA C[C@H]1CCNC[C@H]1c1ccc(NS(C)(=O)=O)cc1 757213911 RZIZQCUAZLZPGL-GXFFZTMASA-N 268.382 1.771 0 50 CDAA Cc1c(NC(=O)[C@](C)(O)C2CC2)cnn1C1CCOCC1 1550801357 AGTFXXYMZPKDAA-OAHLLOKOSA-N 293.367 1.643 0 50 CDAA Cn1c(=O)n(C)c2cc(C(=O)O)c(NC3CCC3)cc21 1875318276 MOIPXHLERVTCJQ-UHFFFAOYSA-N 275.308 1.540 0 50 CDAA CCN(C)c1cc(CNC(=O)/C=C/CN(C)C)ccn1 1875375840 ODPPVUOPMRTCKM-VOTSOKGWSA-N 276.384 1.272 0 50 CDAA COc1cccc2nc(NC(=O)C3=NO[C@@H](C)C3)[nH]c12 1875308963 JWMDCDLECNCBGV-ZETCQYMHSA-N 274.280 1.675 0 50 CDAA C=CC(=O)NCC(=O)N1C[C@@H](C)Oc2ccc(C)cc21 1875371066 NSWFJOOLTVOFRO-LLVKDONJSA-N 274.320 1.411 0 50 CDAA C=CC(=O)N1CCC(C(=O)N(C)[C@H]2CCCOC2)CC1 1875364979 GYDVWKWSEDRNTF-ZDUSSCGKSA-N 280.368 1.048 0 50 CDAA CC(C)S(=O)(=O)c1ccc(Cn2cc(CO)nn2)cc1 1875267491 ITJLYYSJWZNNKV-UHFFFAOYSA-N 295.364 1.001 0 50 CDAA CCn1nc(C)c(CSc2nc(O)ncc2F)n1 1875281972 HSRJWQYBSFKXJD-UHFFFAOYSA-N 269.305 1.533 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 1875273261 KFCQFWPLVXUQAN-ZWNMCFTASA-N 291.351 1.622 0 50 CDAA CN(Cc1nc(O)n[nH]1)C(=O)C(C)(C)C(C)(F)F 1875296409 VPZHODICMZOKGK-UHFFFAOYSA-N 262.260 1.150 0 50 CDAA O[C@@H]1C2[C@@H]3[C@@H]4C5[C@@H]([C@@H]2C53Br)C14Br 169619057 GBAQWXVCNHZZOQ-CJFCEALZSA-N 291.970 1.380 0 50 CDAA Cc1nccc(N2C[C@@H]3COCC[C@]3(C(N)=O)C2)c1Cl 952849888 HKPQHMJVHLZYFH-YGRLFVJLSA-N 295.770 1.372 0 50 CDAA Cc1ccc(CNCCN2CCCC[C@H]2CO)o1 952963440 JZEVYCDYUOXKMV-ZDUSSCGKSA-N 252.358 1.524 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2nnc(C(C)C)o2)C1 888079194 JRZLRJNIJLPJDY-GHMZBOCLSA-N 291.355 1.878 0 50 CDAA CO[C@](C)(CO)CNC(=O)C[C@@H](C)Cc1cccc(F)c1 888094076 FERKURHLRCABQV-LRDDRELGSA-N 297.370 1.908 0 50 CDAA Cc1nc(C2CN(c3nc4c(F)cccc4o3)C2)n[nH]1 895328291 MMQWLZNGUCOWCC-UHFFFAOYSA-N 273.271 1.997 0 50 CDAA CNC(=O)NCc1cn([C@@H](C)c2ccc(F)cc2F)nn1 899719124 QUFDXYFSQOYYSU-QMMMGPOBSA-N 295.293 1.595 0 50 CDAA C[C@H]1COCC[C@@H]1C(=O)N1CCc2cc(O)ccc2C1 1775238600 WAJBKYFWPTWKTM-NHYWBVRUSA-N 275.348 1.950 0 50 CDAA COc1ccccc1N1CCC[C@@H](NCCC(=O)O)C1=O 1776003748 GQUKMJKEWPFTFD-LLVKDONJSA-N 292.335 1.255 0 50 CDAA COc1cc(C(=O)N[C@H]2C[C@@H](N)C2)ccc1Cl 1342844996 ZDYVLFTVVOTHHD-DTORHVGOSA-N 254.717 1.568 0 50 CDAA CN(CCc1cnccn1)c1cc(NCC2CC2)ncn1 271364382 PCCANPHYNQAJAM-UHFFFAOYSA-N 284.367 1.767 0 50 CDAA Nc1cc(Cl)ncc1I 38540855 DEJUUKULVAIMNF-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA in-vitro Cc1ccc(-c2nn(C)cc2CN[C@@H](C)C(=O)N(C)C)o1 1364891308 QQIVWRZMKXNXCD-NSHDSACASA-N 290.367 1.555 0 50 CDAA Cc1ccc2oc(N[C@@H]3CCC(=O)NC3=O)nc2c1 1322985752 QFZBOXQIZASUJG-MRVPVSSYSA-N 259.265 1.353 0 50 CDAA O=C(NCc1ccsc1)c1c[nH]nc1[C@H]1CCOC1 275351693 UXLBHQJVNAPNPI-JTQLQIEISA-N 277.349 1.905 0 50 CDAA O=C(C1[C@H]2CCC[C@H]12)N1CCN(c2cccs2)C(=O)C1 186238016 PXCAGNMPLYUMFB-QWRGUYRKSA-N 290.388 1.969 0 50 CDAA CN(C)[C@H]1CCCN(c2ncnc(N)c2Cl)CC1 277751950 JXEQVHOQMIRRSI-VIFPVBQESA-N 269.780 1.633 0 50 CDAA C[C@@](NC(=O)C(F)(F)F)(C(=O)O)C(F)(F)F 86796238 MJIZFFIAUNQIMQ-SCSAIBSYSA-N 253.098 1.071 0 50 CDAA CCN(C)C(=O)[C@H](C)NC(=O)[C@H](C)Sc1ccccn1 170609967 LDIVVKAOLDLJAU-QWRGUYRKSA-N 295.408 1.545 0 50 CDAA c1cc(CN[C@H]2[C@@H]3CNC[C@@H]32)cc(-n2cccn2)c1 518491675 YTQLXEGPAZYFNS-FICVDOATSA-N 254.337 1.180 0 50 CDAA Cn1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)n1 678086821 AAXHGKGMJZRVFI-UHFFFAOYSA-N 268.280 1.458 0 50 CDAA CCCCNC(=O)[C@H](C)N[C@@H]1C[C@@H](OCC)[C@H]1SC 585089104 MTDTVBDDGHUQEQ-LOWDOPEQSA-N 288.457 1.790 0 50 CDAA COC(=O)N1CC(C)(NCc2cccc3c2OCO3)C1 585079553 XBOJHYYRSVEWHC-UHFFFAOYSA-N 278.308 1.346 0 50 CDAA C[C@@H](CN(C)C)[C@@H]1CCCCN1C(=O)c1ccn(C)n1 585128029 PZQKUTBBNDUKPR-JSGCOSHPSA-N 278.400 1.613 0 50 CDAA CSC[C@@H](C)C(=O)NCCN=S1(=O)CCCC1 585130935 GHBXZHPDCPLTEM-SNVBAGLBSA-N 278.443 1.364 0 50 CDAA O=C(CO)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 187438520 CPVMQMUQQLAFHL-SECBINFHSA-N 288.269 1.393 0 50 CDAA N=c1[nH]cc(CNC[C@@H]2CC[C@H](c3ccccc3)O2)c(=N)[nH]1 639294998 JMKAIMBUFSFKJH-UONOGXRCSA-N 299.378 1.312 0 50 CDAA COC[C@H](O)CN1CCN(c2cccc(Cl)c2)C[C@H]1C 408519038 UUUFESRQRGLRGT-IUODEOHRSA-N 298.814 1.858 0 50 CDAA NC(=O)[C@H]1COCCN1Cc1ccc(F)c(Cl)c1 189805877 XJDBGWDBYINSBJ-LLVKDONJSA-N 272.707 1.165 0 50 CDAA COc1ccc(=O)n(C[C@H](O)c2ccc(F)cc2F)n1 193115409 GFGBSKPTHOKQRK-NSHDSACASA-N 282.246 1.264 0 50 CDAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2C[C@@H]2C)n1 195579006 QAUYCXFMAAIGEO-KWQFWETISA-N 286.339 1.809 0 50 CDAA C[C@@]1(C(F)F)CN(Cc2nc(C(=O)O)cs2)CCO1 663315558 JNAWUICTOJUHIP-NSHDSACASA-N 292.307 1.697 0 50 CDAA CCN1CCC[C@H]1CN1CCN(C)C2(CCN(C)CC2)C1 1506409356 ZFMNAFJXOPSECS-INIZCTEOSA-N 294.487 1.183 0 50 CDAA O=C(O)c1coc(NC[C@H]2CC(=O)N(C3CCCC3)C2)n1 1506421932 LJLMRTKABKFXCL-SECBINFHSA-N 293.323 1.576 0 50 CDAA O=C(NN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1 2868873 YNWAHLLYLCFREC-UHFFFAOYSA-N 287.102 1.787 0 50 CDAA C[C@@H](CC(C)(C)O)OC(=O)c1ccnc(N(C)C)c1 253426177 YJCOREGEJWBPBJ-JTQLQIEISA-N 266.341 1.854 0 50 CDAA O=C1NCCC[C@H]1Nc1ncccc1C(=O)N1CCCC1 1704356800 LDXLPSIJQANPSO-GFCCVEGCSA-N 288.351 1.008 0 50 CDAA CC(C)CCn1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)nn1 153274533 IOWMBPRHGAHSFH-VXGBXAGGSA-N 279.388 1.147 0 50 CDAA COc1cnc(NC(=O)[C@@]2(C(C)C)CNC(=O)C2)s1 1615056582 UFPVGPUGPHONRY-GFCCVEGCSA-N 283.353 1.253 0 50 CDAA C[C@@H]1C[C@@]1(C)S(=O)(=O)NCCc1cn2c(n1)CCCC2 1615588011 WMKZZORNIDUOCX-BXUZGUMPSA-N 297.424 1.480 0 50 CDAA O=S(=O)(c1cccc2ccccc12)N1C[C@H](O)[C@@H](F)C1 1616157674 YYDPCNYJMJAYPQ-STQMWFEESA-N 295.335 1.543 0 50 CDAA Cc1nsnc1C(=O)N1CCc2nc(N)sc2C1 1775979156 GFENQZQXKHQPCV-UHFFFAOYSA-N 281.366 1.084 0 50 CDAA COC(=O)c1ccc(NC(=O)CNCc2ccco2)cc1 5577595 ZOIISVXVGSXMJN-UHFFFAOYSA-N 288.303 1.795 0 50 CDAA CC1(C)CC2(CCO1)N1CC3(C)CN2CC(C)(C1)C3O 19323054 PDIXWXRVZLZMKD-UHFFFAOYSA-N 280.412 1.290 0 50 CDAA biogenic O=C(NCCc1cn[nH]c1)C1(c2ccccc2F)CC1 19347888 UNDMMYKMHRYVBS-UHFFFAOYSA-N 273.311 1.939 0 50 CDAA CC(C)[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C1=O 169565850 DKLQSRFTOOFQDH-OLZOCXBDSA-N 258.321 1.094 0 50 CDAA CC1=NC(=O)C2(CCN([C@H]3CCC(C)(C)C3)CC2)N1 1857672100 JMDLGGNLNABCJL-LBPRGKRZSA-N 263.385 1.948 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3cccc(Cl)c3Cl)C[C@H]2N1 1857675676 CDGXGMQJAKQLDL-OIBJUYFYSA-N 299.157 1.954 0 50 CDAA C[C@@H]1C[C@H]1C(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1 620120402 HIJOCWPOIFWJSP-GGZOMVNGSA-N 287.319 1.552 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N2CC[C@H](Oc3ccccn3)C2)O1 330045278 GIWCLMIADFGOLR-AGIUHOORSA-N 276.336 1.629 0 50 CDAA COc1ccccc1CCN(C)C(=O)[C@@H]1CCNC1 237150549 CRCQFPCFRGKXIH-CYBMUJFWSA-N 262.353 1.306 0 50 CDAA Cc1cc(N2CCC[C@@H](NC(=O)N3CC(F)C3)C2)n(C)n1 333752452 TXDLXBBPPJXYRR-GFCCVEGCSA-N 295.362 1.061 0 50 CDAA CCc1ccnc(CNC(=O)N2CCC[C@H](CO)CC2)c1 458747037 YSEWKHGYHFSSAT-AWEZNQCLSA-N 291.395 1.948 0 50 CDAA Cc1cc(CNC(=O)N[C@H](C)C(C)(C)CN(C)C)n(C)n1 252499121 RVTATHZFHXAWRH-GFCCVEGCSA-N 295.431 1.504 0 50 CDAA O=C(O)[C@@H](c1ccsc1)N1CCC[C@@H](n2cncn2)C1 568402534 LVSBTUDUCQRVQA-VXGBXAGGSA-N 292.364 1.802 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1C(=O)O 821153376 VMPFRQASZNHIFD-GFCCVEGCSA-N 279.340 1.425 0 50 CDAA CC(C)c1ccoc1-c1noc([C@@H]2CN(C)C(=O)CN2)n1 904724250 JSMJHBJUEMYSPW-JTQLQIEISA-N 290.323 1.556 0 50 CDAA C[C@@H](O)c1cccc(N2CC[C@]3(C(=O)O)CCC[C@H]23)n1 910326462 CMCCADNDGUCEOZ-IFUGULHKSA-N 276.336 1.969 0 50 CDAA CN(CCCn1cccn1)CC[C@H]1COCCO1 1775980822 BVIXSJYZCKZWLP-ZDUSSCGKSA-N 253.346 1.011 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C)c1ccc(F)c(C)c1 859947400 CZBABARGUXZRBO-LLVKDONJSA-N 278.327 1.956 0 50 CDAA C[C@H](C(=O)N1CCCC1)N1CC[C@@H](CN2CCCC2)C1 229817357 PVMAIUVXOSIZLQ-CABCVRRESA-N 279.428 1.415 0 50 CDAA CCCc1noc(CN(C)CCn2ccnc2C)n1 11664305 XXBHIQCKWMQWFU-UHFFFAOYSA-N 263.345 1.659 0 50 CDAA CNC1CCN(C(=O)Cc2ccc(OC)c(F)c2)CC1 237075170 GWAIFKCBICHEFO-UHFFFAOYSA-N 280.343 1.587 0 50 CDAA 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1.261 0 50 CDAA O=C1C[C@@H](C(=O)Nc2ncccn2)[C@H](c2ccccc2)O1 313058 QGDNUGMTWCNSPM-YPMHNXCESA-N 283.287 1.720 0 50 CDAA CC1CCN(CN2C(=O)C(=O)c3ccccc32)CC1 1751669 UFYUSLHSUTUBIB-UHFFFAOYSA-N 258.321 1.905 0 50 CDAA CCCN1Cc2nnc(-c3ccn(CC)n3)n2[C@@H](C)C1=O 2356157863 UZZLETHYEOOCID-JTQLQIEISA-N 288.355 1.475 0 50 CDAA Cc1nc[nH]c1-c1nnc2n1[C@@H](C)C(=O)N1CCC[C@H]21 2356158015 AZDNHOSPCFCIMP-DTWKUNHWSA-N 272.312 1.215 0 50 CDAA Cc1ncc(-c2nnc3n2Cc2ccccc2OC3)cn1 2356168974 QPPCVHNPZMFOJP-UHFFFAOYSA-N 279.303 1.984 0 50 CDAA CCCn1nnnc1NCc1cccc(OC)c1OC 4488561 AZFBWBHNWLMKSM-UHFFFAOYSA-N 277.328 1.712 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1nc(-c2ccc(F)cc2)no1 6743176 NDUFKZXEUJKJPV-NSHDSACASA-N 291.282 1.785 0 50 CDAA CC1(CO)COC(c2coc3ccccc3c2=O)OC1 8816127 OZSFGOOFSBUJIR-UHFFFAOYSA-N 276.288 1.837 0 50 CDAA O=C(CCCn1cccn1)NC[C@H]1CCCCO1 50346273 ASHVRLRKVUXLON-GFCCVEGCSA-N 251.330 1.349 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)c1cncc(O)c1 111684438 JOJVJLNSGDUFSW-SNVBAGLBSA-N 264.281 1.257 0 50 CDAA 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CN1CCC(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)CC1 97776295 QGWKAVNIEBJMAU-GJZGRUSLSA-N 273.380 1.069 0 50 CDAA CC(C)(C)n1nc(CC(N)=O)nc1-c1ccn(C(F)F)n1 826842364 QNTZJRZWZJXYIK-UHFFFAOYSA-N 298.297 1.320 0 50 CDAA CC(C)(CO)NC(=O)NCc1ccc2cc[nH]c2c1 584891580 OQJTXVXOFWAOGT-UHFFFAOYSA-N 261.325 1.738 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1ccncc1Cl 584898947 ZIWMUZCGJDPMSJ-VXGBXAGGSA-N 267.760 1.948 0 50 CDAA Cc1cc(C)n(C[C@@H](C)n2cnc3nccnc3c2=O)n1 584892474 ZQILGIYVKGZEQI-LLVKDONJSA-N 284.323 1.261 0 50 CDAA COCCC1CCN(C(=O)NC2CC3(C2)C[C@@H]3N)CC1 1551570093 AFMFJOVMYOTZSS-OWYJLGKBSA-N 281.400 1.324 0 50 CDAA Cc1[nH]nc2ccc(C(=O)N[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C(=O)O)cc12 1875310992 IOGFRIYXYIMJIE-KZVDOYCCSA-N 299.330 1.710 0 50 CDAA C=CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 1875373003 RMFMNEDWDCJFMM-LLVKDONJSA-N 298.383 1.703 0 50 CDAA C[C@@H](O)c1nc2ccc(NC(=O)C3CCOCC3)cc2[nH]1 952868566 ALGSOJJPWZWHJK-SECBINFHSA-N 289.335 1.981 0 50 CDAA CN(C)c1cncc(C[C@@H]2CC[C@H](CN3CCCC3)O2)n1 952854089 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COCCCc1cc(=O)nc(-c2ccc(O)cc2)[nH]1 1776004092 NTMBSJALEJDWNL-UHFFFAOYSA-N 260.293 1.722 0 50 CDAA O=C(NCCN1CCCCCC1)c1ncc2ccccn12 630714624 FGQIIXMRZKWIQS-UHFFFAOYSA-N 286.379 1.940 0 50 CDAA CC(C)O[C@H]1C[C@H](NC(=O)CCn2cccn2)C1(C)C 274227256 DJUDPXYWYKVEJY-STQMWFEESA-N 279.384 1.982 0 50 CDAA c1ccn2ncc(CNC[C@@H]3CCc4nccn4C3)c2c1 275353364 AFWRXMDTWMHZAR-ZDUSSCGKSA-N 281.363 1.883 0 50 CDAA CC[C@@]1(C(=O)O)COCCN1C(=O)OC(C)(C)C 95828763 SOHNOCHHIWUYFV-LBPRGKRZSA-N 259.302 1.487 0 50 CDAA in-vitro CC1CCC(O)(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1 407962494 MVWBYYBZVXVFCB-MXGMQVIZSA-N 297.439 1.789 0 50 CDAA CC(=O)c1cccc(CNC(=O)[C@@H]2CCCCC(=O)N2)c1 408522296 HCTBPXIARXMGSX-AWEZNQCLSA-N 288.347 1.564 0 50 CDAA CCCCN(C)S(=O)(=O)NC[C@H]1CCC[C@@H](O)C1 221672697 NBYJEYOPKAUOAQ-NWDGAFQWSA-N 278.418 1.104 0 50 CDAA Cc1ccccc1CCNC(=O)[C@H](C)N1CC[C@@H](CO)C1 222130263 YNWBSXYNXQEFLQ-LSDHHAIUSA-N 290.407 1.356 0 50 CDAA CCCNC(=O)CCNC(=O)N1CCSCC[C@H]1C 191479619 IQVJNLGGLPNSOX-LLVKDONJSA-N 287.429 1.440 0 50 CDAA C[C@@H]1CCN(Cc2ccc3cn[nH]c3c2)CCS1(=O)=O 192048215 OAYFDIBZFLGIFO-LLVKDONJSA-N 293.392 1.572 0 50 CDAA Cc1cc(=O)c(OCC(=O)NC(C2CC2)C2CC2)co1 194693101 GEXNZNRACJLIHR-UHFFFAOYSA-N 277.320 1.632 0 50 CDAA COC[C@H]1CN(Cc2ccccc2C(=O)O)C[C@H](C)O1 565105876 PWGJKPMLNFGKRH-WCQYABFASA-N 279.336 1.621 0 50 CDAA O=C(NC1(CO)CCSCC1)[C@H]1CC[C@H]2CCCCN21 585122211 QWNZUBFGTWXJAR-CHWSQXEVSA-N 298.452 1.378 0 50 CDAA Cn1cccc1C(=O)NCC[S@](=O)C(F)(F)F 585131049 JSNWAYZLHCYKLR-KRWDZBQOSA-N 268.260 1.023 0 50 CDAA CCc1cc(O)nc(CN2CCC[C@@H](CC(=O)O)CC2)n1 585655575 CXDPWMYONHITSM-LLVKDONJSA-N 293.367 1.821 0 50 CDAA COC[C@]1(C)CCN(C(=O)CCc2cncs2)C1 622630620 UTKZMDJDSVMXBT-CYBMUJFWSA-N 268.382 1.961 0 50 CDAA O=S(=O)(C1CC1)N1CC2(CCOCC2)[C@H]1C1CC1 334237785 JEFGTLVRPQBDSQ-GFCCVEGCSA-N 271.382 1.370 0 50 CDAA C=CC(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 667625809 YHFGQNVVTTZVCX-UHFFFAOYSA-N 260.293 1.483 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc3cc[nH]c13)C2 1704333578 BDNVAVWFGCVKPI-KGLIPLIRSA-N 285.347 1.115 0 50 CDAA O=C1N[C@H](CC(F)F)C(=O)N[C@H]1Cc1ccc(F)cc1 1614625549 VRYYNAMJPWXWJH-VHSXEESVSA-N 286.253 1.007 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)Nc1cccnc1 1615616252 YYDKZELHZKENLY-MRXNPFEDSA-N 283.331 1.829 0 50 CDAA C[C@@H](N(C)C(=O)c1cnc(C(N)=O)cn1)C(C)(C)C 1772711480 YTWOLUHBPORRBQ-MRVPVSSYSA-N 264.329 1.082 0 50 CDAA CN1CC[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@H]2C1=O 1772807212 RLAJJEZXALEYPD-NEPJUHHUSA-N 284.363 1.473 0 50 CDAA COCc1nnc(N(C)CCCn2nc(C)cc2C)o1 1772708573 DNXGIRJRXMHNBI-UHFFFAOYSA-N 279.344 1.556 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCCO1 250889713 XIKCEXZXSXZZAJ-QNWHQSFQSA-N 281.352 1.800 0 50 CDAA Cc1nc(CN(C)C[C@H]2CCC(=O)N(C)C2)cs1 1772818223 AOASRBYSNUXYMN-LLVKDONJSA-N 267.398 1.752 0 50 CDAA C[C@]12C[C@@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 1775978855 PVYSGWCTBKJJDO-DGCLKSJQSA-N 269.341 1.997 0 50 CDAA C[C@H](Sc1n[nH]c(N)n1)C(=O)OC1CCCCC1 5961517 FZRQEHGMDPBAOV-ZETCQYMHSA-N 270.358 1.743 0 50 CDAA O=C(NC1CCCCC1)[C@H]1CCC(=O)N(C2CC2)C1 12761299 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Cc1noc(CN2CCOc3ccccc3[C@H]2C(=O)O)n1 903929032 VBQSAPNLZRYGOH-ZDUSSCGKSA-N 289.291 1.398 0 50 CDAA NC[C@H]1CCN(C(=O)c2ccnc(-c3ccco3)c2)C1 911739171 RLEKSYVLXGRNSN-LLVKDONJSA-N 271.320 1.762 0 50 CDAA O=C1CCNC(=O)N1Cc1cccc(Br)c1 1775986233 VGIABNHNEVEQGL-UHFFFAOYSA-N 283.125 1.891 0 50 CDAA CCn1ccnc1CN1CCN(C2CCSCC2)CC1 252484367 FUWDRPZYANLWLN-UHFFFAOYSA-N 294.468 1.916 0 50 CDAA Cc1cc(C(=O)NCC2(C(=O)O)CCOCC2)c(C)s1 165907762 ILMVUZREQDESFR-UHFFFAOYSA-N 297.376 1.976 0 50 CDAA C[C@H]1C[C@H](C(=O)O)CN(Cc2ccc(CO)cc2)C1 398956568 RWTLFCNRBUQVEU-FZMZJTMJSA-N 263.337 1.722 0 50 CDAA Cc1coc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)c1 1122275840 FNVCRHMXFRBVAO-TZMCWYRMSA-N 256.305 1.943 0 50 CDAA CC[C@@]1(C(C)C)C[C@@H]1C(=O)OCCN1C(=O)CCC1=O 2325751491 BNKPXYPAMFBTCZ-ABAIWWIYSA-N 281.352 1.751 0 50 CDAA CO[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cccn2nccc12 2325791208 AZPFNLZSGYILLS-NDPMZMCLSA-N 285.347 1.878 0 50 CDAA O=C(NC[C@H](O)c1ccoc1)c1n[nH]c2c1CSCC2 2325797858 YKMNSWJVGQKAEU-NSHDSACASA-N 293.348 1.255 0 50 CDAA NC[C@@]12CC[C@@H]1CCN2C(=O)Nc1nnc2ccccn12 904334520 YIQRDCKANYOIND-YGRLFVJLSA-N 286.339 1.074 0 50 CDAA NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2F)C1 183238 CAQGZBMVALQNCM-JTQLQIEISA-N 254.280 1.662 0 50 CDAA COc1cc(CN2CCCC[C@@H]2CO)cc2c1OCO2 210327 KLNLDBTTZGZDAU-GFCCVEGCSA-N 279.336 1.771 0 50 CDAA CCCC(=O)[C@@H]1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O 287343 RIYBRKZTWIDBPE-MNOVXSKESA-N 268.309 1.329 0 50 CDAA biogenic CSc1nc(-c2ccco2)nn1S(C)(=O)=O 350278 BBAJVLDHPYYRCW-UHFFFAOYSA-N 259.312 1.068 0 50 CDAA COc1ccc(C)cc1NC(=O)N1CCOCC1 396549 DPKKQHDDDUIYCB-UHFFFAOYSA-N 250.298 1.868 0 50 CDAA Cc1cc(Br)cc2c1N(C)C(=O)C2=O 2481977 PDHRLYRIFOMYQF-UHFFFAOYSA-N 254.083 1.917 0 50 CDAA Cc1cc(C(=O)NCc2ccc(C(=O)O)cc2)no1 4748881 ULAFGSYOOVEHNF-UHFFFAOYSA-N 260.249 1.611 0 50 CDAA CCN1CC[C@H](CNC(=O)[C@@H]2COc3ccccc32)C1 113153241 LYYGCMDCHYBDDY-TZMCWYRMSA-N 274.364 1.621 0 50 CDAA CC(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 21793603 YDRGTECLNNIPFK-UHFFFAOYSA-N 289.383 1.054 0 50 CDAA CO[C@@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2C)C1 171211317 MRFYGPVGAZBLAU-GFCCVEGCSA-N 291.351 1.737 0 50 CDAA CN1CC[C@@H](CNC(=O)CCc2cccs2)C1 66652271 XSHJYLFIEVKNJK-NSHDSACASA-N 252.383 1.749 0 50 CDAA Cc1cccn2c(CC(=O)Nc3nccn3C)cnc12 1506420970 FFFONFTUUXGKDH-UHFFFAOYSA-N 269.308 1.557 0 50 CDAA CCCCC[C@H](C)NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239175801 QQPSTRPSJRTBSS-ZOLYEBIHSA-N 281.352 1.726 0 50 CDAA Cc1cc(C)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c(=O)[nH]1 65370141 JUWYOYCTMMWVTJ-PHIMTYICSA-N 264.325 1.241 0 50 CDAA COC[C@@H]1CCN(Cc2cnc3n[nH]c(C)c3c2)C1 353591004 IJAMZBBRPPFPKS-LLVKDONJSA-N 260.341 1.735 0 50 CDAA COC(=O)[C@H](C)N(CC(=O)N(C)C)Cc1ccccc1 328598541 MUDAZVRDUKCIEZ-LBPRGKRZSA-N 278.352 1.138 0 50 CDAA CCCn1cc(CN2C[C@H](O)C[C@@H]2c2nc(C)no2)cn1 328656846 ZSCDPFIWMNPCAP-CHWSQXEVSA-N 291.355 1.292 0 50 CDAA CC1(C)OC(=O)N(CCc2ccccn2)[C@@]1(C)O 1427409 USXHRKHUGCTOOH-ZDUSSCGKSA-N 250.298 1.563 0 50 CDAA CC[C@@]1(C)COCCN1C(=O)c1cnc2[nH]c(O)nc2c1 330169715 DIPDYXCIBBEPMX-AWEZNQCLSA-N 290.323 1.305 0 50 CDAA Cc1cc(CC(=O)N2CCC(Cn3cncn3)CC2)no1 330309373 MUPGMSHWVHWJQS-UHFFFAOYSA-N 289.339 1.056 0 50 CDAA Cc1nc([C@@H](C)NS(=O)(=O)C[C@H]2CCOC2)cs1 330688144 UOVCOUIYCKZANN-SCZZXKLOSA-N 290.410 1.468 0 50 CDAA COc1cc(N2CCN(C(=O)[C@H](C)OC)CC2)ccc1F 253393114 QZHTZIKZBAOMJQ-NSHDSACASA-N 296.342 1.518 0 50 CDAA Cc1cc2ccccc2nc1N1CCN2C(=O)NC[C@@H]2C1 151955786 QOVMNCBPSNWWAU-CYBMUJFWSA-N 282.347 1.757 0 50 CDAA O=C(NC[C@H]1CCCCN1C1CC1)[C@@H](O)C1CCC1 333268271 CAIXJMFFYSUKRN-KGLIPLIRSA-N 266.385 1.281 0 50 CDAA C[C@H]1CO[C@H](C)CN1C(=O)CCc1ccc(C(=O)O)cc1 237415740 UHSCLMPSIRQHCI-NWDGAFQWSA-N 291.347 1.953 0 50 CDAA Cn1nccc1COCC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 284163640 KACVUHVFQLHUBD-OCCSQVGLSA-N 293.367 1.011 0 50 CDAA CC(=O)N1CCC(N[C@H](C(C)C)[C@@H](CO)C(C)C)CC1 449513615 TXVPNJBCEVWDGW-JKSUJKDBSA-N 284.444 1.876 0 50 CDAA CC(C)c1occc1C(=O)N1CCC[C@](O)(CO)C1 334563848 IMOGYRYGLDRJLL-CQSZACIVSA-N 267.325 1.362 0 50 CDAA C[C@@H]1C[C@H]1NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 246173535 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297.771 1.983 0 50 CDAA O=C(O)[C@@H](F)[C@H]1CCN(C(=O)C2CCCCC2)C1 1517366603 ZTBVUVOCWBMTEH-QWRGUYRKSA-N 257.305 1.838 0 50 CDAA CCCCNC(=O)N1CCn2c(nnc2C(F)(F)F)C1 134915218 WVNQJFYJQZZSOK-UHFFFAOYSA-N 291.277 1.622 0 50 CDAA O=C(CCc1ccncc1)N[C@H](CO)c1ccccc1 136009819 DPLYSTVMHQWWII-OAHLLOKOSA-N 270.332 1.864 0 50 CDAA O=C(NC[C@H]1Cc2ccccc2CN1)C(F)(F)F 166306465 CVSQONQMGJVBQI-SNVBAGLBSA-N 258.243 1.379 0 50 CDAA OCc1ccc(I)c(F)c1 81991209 CJCIAGJETMTBJI-UHFFFAOYSA-N 252.026 1.923 0 50 CDAA in-vitro C[C@H](CCCO)NC[C@@H]1CC(=O)Nc2ccccc21 170593022 KRAWQBJRRHMAOF-NEPJUHHUSA-N 262.353 1.863 0 50 CDAA COCCCn1cnc2c(cnn2C(C)C)c1=O 170602142 QJAQWDNYVCZLQK-UHFFFAOYSA-N 250.302 1.210 0 50 CDAA CN(CCSc1nnc(N)n1C)Cc1ccc(F)cc1 170600328 RMAYXKJNBXKXSL-UHFFFAOYSA-N 295.387 1.761 0 50 CDAA Cc1cnn(CCNc2cc(N3CCCC3)ncn2)c1 170614718 OFVZXTDFAHDHPA-UHFFFAOYSA-N 272.356 1.694 0 50 CDAA CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](CO)C1 91303714 KAKGPQPJSNUNBV-JTQLQIEISA-N 267.329 1.242 0 50 CDAA in-vitro CCCc1nc(C)c(C(=O)Nc2nncn2C)s1 188795994 JGJNLGFQKSMZBJ-UHFFFAOYSA-N 265.342 1.785 0 50 CDAA CCO[C@@H]1C[C@H](NCc2c[nH]c(=N)[nH]c2=N)C12CCCC2 638705735 QIMULVPUTLRXFF-NWDGAFQWSA-N 291.399 1.129 0 50 CDAA C[C@@H](c1nnnn1C)S(=O)(=O)CC1CCCCC1 188933230 CZVQMRCOVYGDHO-VIFPVBQESA-N 272.374 1.266 0 50 CDAA CCc1nn(C)c(OC)c1CNC(=O)[C@H]1CCCO[C@H]1C 189964899 BMFUKCWMABPWKT-QWRGUYRKSA-N 295.383 1.422 0 50 CDAA CC(C)c1nnc(CNC(=O)[C@@H]2CCCO[C@@H]2C)n1C 190057463 RPVYJSXKSLITPB-GHMZBOCLSA-N 280.372 1.370 0 50 CDAA C[C@@H](C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1)C(C)(C)C 408217271 LEDNVVXYQNZPSL-QWRGUYRKSA-N 275.414 1.562 0 50 CDAA CC(C)[C@H]1OCCC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 408474895 XATCFKNNDHPPNA-UKRRQHHQSA-N 294.395 1.476 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CO[C@@H](C)C2)cc1C 408485368 HEPSLFRKCMMWBT-NWDGAFQWSA-N 297.376 1.533 0 50 CDAA CCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCO[C@@H]1C 190435920 NBCKWSLRQZKPLB-DGCLKSJQSA-N 265.357 1.584 0 50 CDAA Cc1ccc(CN(C)S(=O)(=O)N2CCC[C@@H](C)C2)o1 220337580 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CC[C@H](COC)N[C@H]1CCCN(c2nccnc2O)C1 328635067 NDIJZEPUUMOFSZ-NEPJUHHUSA-N 280.372 1.166 0 50 CDAA CN(C)C[C@@]1(O)CCCN(c2cc(C(C)(C)C)ncn2)C1 631345101 WHTCTPMPMJICDT-INIZCTEOSA-N 292.427 1.667 0 50 CDAA C[C@](O)(CN1CCC(COc2ccccc2)CC1)C(=O)O 575065746 XWJDEKJWGVSSHK-INIZCTEOSA-N 293.363 1.613 0 50 CDAA O=C(O)c1cccc(CC(=O)N2CC[C@@]3(CCOC3)C2)c1 262059699 BMSCEWIXBNZGJE-MRXNPFEDSA-N 289.331 1.566 0 50 CDAA O=C(c1ccnc2[nH]c(O)nc12)N1CCC[C@H](CCF)C1 912509034 ZGESVSKSEJHFQA-SECBINFHSA-N 292.314 1.875 0 50 CDAA C[C@]1(O)C[C@@H](NC[C@H](O)c2ccc(F)c(F)c2)C1 1253372799 JOCTYXJJEWLDGW-TVYUQYBPSA-N 257.280 1.501 0 50 CDAA Cc1cncc(CN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)c1 930314557 FHQFDVPKZQPFNQ-GFCCVEGCSA-N 272.356 1.268 0 50 CDAA C[C@@H](CNC(=O)c1ccccc1C1(C)CC1)S(N)(=O)=O 935184348 SEVOHHCXGNSQAZ-JTQLQIEISA-N 296.392 1.145 0 50 CDAA CC1(C)[C@H]2CC[C@]13CS(=O)(=O)[N@]1O[C@]13C2(Cl)Cl 1857777584 HAMBQYFZDBYWHU-YYWKJSDASA-N 298.191 1.883 0 50 CDAA Cc1cccc([C@@H]2C[C@H]2C(=O)NS(C)(=O)=O)c1 860446065 CCVITFNTSLEFOD-WDEREUQCSA-N 253.323 1.174 0 50 CDAA O=C(N[C@H]1COC2(CCCCC2)C1)c1cccc(=O)[nH]1 221291878 WXCFICBPZGUNAF-LLVKDONJSA-N 276.336 1.597 0 50 CDAA C1CCN(CCN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)CC1 227289428 ZSDBEUOIEWUIBR-KBUPBQIOSA-N 250.386 1.582 0 50 CDAA CC(C)C[C@H](NC(=S)Nc1ccccc1)C(N)=O 4706763 PBDZVMBEGIXRTH-NSHDSACASA-N 265.382 1.873 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 229416022 SWYQQBHSTILQLJ-NQBHXWOUSA-N 263.341 1.541 0 50 CDAA OC[C@@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 131300466 SAYQXDNVIRPJEL-LLVKDONJSA-N 265.357 1.932 0 50 CDAA C[C@@H](CN1CCOCC1)Nc1ncc2ccccc2n1 165676867 CFULMZDTBMEYPG-LBPRGKRZSA-N 272.352 1.762 0 50 CDAA Cc1nc([C@H]2CCCCN2Cc2nccc(=N)[nH]2)n[nH]1 408473345 RTXVBCFMMAVJQH-SNVBAGLBSA-N 273.344 1.043 0 50 CDAA COc1ccccc1S(=O)(=O)N(CC(=O)O)C1CCC1 653496553 XBPHFKRZCGRTHU-UHFFFAOYSA-N 299.348 1.323 0 50 CDAA CNCc1nnc(N(C)Cc2sccc2C)o1 394890582 WXQBFSPUTMXSQW-UHFFFAOYSA-N 252.343 1.795 0 50 CDAA Cc1csc2c(N3CC[C@H](O)[C@H](CO)C3)ncnc12 396828842 CUZVVYNLFXHZHU-UWVGGRQHSA-N 279.365 1.179 0 50 CDAA CN1CCN(C[C@@H]2CCCN(Cc3ccoc3)C2)CC1 952978266 KVQXZAMDSFLPFI-HNNXBMFYSA-N 277.412 1.739 0 50 CDAA Cc1nn(CC(=O)N2CCCCC2)c(=O)c2ccccc12 127642 HGJUCZITHKHOMV-UHFFFAOYSA-N 285.347 1.717 0 50 CDAA CCc1csc(CNC(=O)c2cccc3ncnn23)n1 2100545079 PDGXRPFSMOGGSZ-UHFFFAOYSA-N 287.348 1.678 0 50 CDAA C[C@@H]1CN(C2CC2)CCN1C(=O)c1cccc2nccnc12 2100557116 MZSLACADSAWSJJ-GFCCVEGCSA-N 296.374 1.939 0 50 CDAA O=C(NN1CCCCC1=O)c1ncoc1-c1ccco1 2325730452 RBOOQJJIMLPALN-UHFFFAOYSA-N 275.264 1.592 0 50 CDAA CCN1CC[C@H](N(CC)C(=O)c2cncc3nc[nH]c23)C1 898675384 PXZVXFUOHMNVLY-NSHDSACASA-N 287.367 1.514 0 50 CDAA CCn1c(SCC(=O)NC2CC2)nnc1-c1ccco1 1355968 OZLOVTOSPMDSMI-UHFFFAOYSA-N 292.364 1.929 0 50 CDAA O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1555607 PVFCXMDXBIEMQG-JTQLQIEISA-N 281.264 1.231 0 50 CDAA in-vitro N=c1[nH]nc(N2CC[C@H](c3ccccc3)[C@H](O)C2)s1 2356137976 CWWPFMYVZFZOGG-GHMZBOCLSA-N 276.365 1.305 0 50 CDAA O=C(CN1C(=O)CCC1=O)Nc1cccc2ccccc12 3083706 NDWWTHGDDDIJCD-UHFFFAOYSA-N 282.299 1.927 0 50 CDAA COc1cc(S(=O)(=O)n2cccn2)c(C)cc1C 4520773 GDTKAMNEZIHCKQ-UHFFFAOYSA-N 266.322 1.746 0 50 CDAA O=C(O)CCCN1C(=O)COc2ccc(Cl)cc21 4985790 QYJGGWNTNXRIBA-UHFFFAOYSA-N 269.684 1.930 0 50 CDAA OCC[C@@H]1CCC[C@@H]1NC[C@H](O)COCc1cccs1 225669368 AXKQRLCTBDAOBJ-YDHLFZDLSA-N 299.436 1.766 0 50 CDAA NC(=O)NCC(=O)N(CCc1ccccc1)c1ccccc1 344522713 KSDWITPPCCVBAQ-UHFFFAOYSA-N 297.358 1.931 0 50 CDAA CCCN(C/C=C/c1ccccc1)C(=O)[C@H](N)CO 55253621 CMJXCUKGRUCBRR-VIIAAUOXSA-N 262.353 1.258 0 50 CDAA COC(=O)[C@H](NC[C@@H]1C(C)=CCC[C@H]1C)[C@H](C)O 249160909 ZTIFVXDKHSWVCB-YVECIDJPSA-N 255.358 1.491 0 50 CDAA Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc(-c2ccn[nH]2)cc1 67605711 VMUCQFBJTIFQOO-UHFFFAOYSA-N 268.276 1.429 0 50 CDAA CNc1ncc(CN(C)Cc2ncccc2C(=O)O)cn1 65430683 ORRIJQQCAFFDOX-UHFFFAOYSA-N 287.323 1.244 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1nncs1 239119528 ITKCCXPWRNSEHE-RULNZFCNSA-N 267.310 1.224 0 50 CDAA CC[C@H](C(=O)N[C@@H]1CCCCC[C@H]1CO)N(C)C 252477455 OFDYGMKALQZFSO-YNEHKIRRSA-N 256.390 1.384 0 50 CDAA O=C(Nc1nncs1)N[C@H]1CCN2CCCC[C@@H]12 229412602 JMYMKPKCLIALNZ-IUCAKERBSA-N 267.358 1.286 0 50 CDAA O=C(NCc1nnc2n1CCC2)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 252671509 NJUKGXKCDHPDQL-XXINRUCKSA-N 287.367 1.068 0 50 CDAA CC(=O)NCCC(=O)Nc1cc(C)nn1[C@@H](C)C1CC1 1506409520 IRUXGEALKXOQIF-JTQLQIEISA-N 278.356 1.627 0 50 CDAA Nc1ccc(S(=O)(=O)Nc2cncc(Cl)n2)cc1 2091 QKLPUVXBJHRFQZ-UHFFFAOYSA-N 284.728 1.513 0 50 CDAA biogenic,in-man CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1 4166 ZBMZVLHSJCTVON-GFCCVEGCSA-N 272.370 1.090 0 50 CDAA biogenic,fda O=C(O)[C@H]1CCCCN1C(=O)c1scnc1Cl 328593284 RHABFDJDADCCBA-ZCFIWIBFSA-N 274.729 1.876 0 50 CDAA CCC1(CC)CN(C(=O)[C@@H]2CCN(CCOC)C2)CCO1 65419850 GANFBFLVIALRKU-CQSZACIVSA-N 298.427 1.372 0 50 CDAA CCn1cc(OCC(=O)NCCc2cccs2)cn1 253432002 ILWGILNADZLLCH-UHFFFAOYSA-N 279.365 1.702 0 50 CDAA CC(C)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@H]2O)n1 253623471 VQOJIHYKJBBASV-ARFHVFGLSA-N 293.411 1.826 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CCCO1 215388498 RPZFIZZSTLTZFM-GFCCVEGCSA-N 251.330 1.206 0 50 CDAA CN(C)[C@H]1CCCN(Cc2nnc(C3CC3)o2)CC1 72149598 OGBVRSCSYCQUGX-LBPRGKRZSA-N 264.373 1.863 0 50 CDAA O[C@@H]1COCCN(CCCCOc2ccccc2)C1 77438510 MSOBCGVOANDRFJ-AWEZNQCLSA-N 265.353 1.539 0 50 CDAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@H]1CCCNC1 153560936 HXMAHJBDPDOKRG-GXFFZTMASA-N 282.771 1.489 0 50 CDAA Cc1ncsc1CCN(C)c1nc(C(N)=O)cs1 77438185 RUXLDGPNCNXYBG-UHFFFAOYSA-N 282.394 1.686 0 50 CDAA CN(CCc1ccncc1)C(=O)Cc1cccnc1 74724368 OTKLCOCXUNRLTM-UHFFFAOYSA-N 255.321 1.720 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccncc1F 216117849 ZRMWLVUPNLFOJX-UHFFFAOYSA-N 276.315 1.875 0 50 CDAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1COCCN1 237393312 LWNRJJMSFBIXKR-YUELXQCFSA-N 274.364 1.379 0 50 CDAA CCOc1ccc(C(=O)NCc2n[nH]c3c2CCC3)o1 219795213 RXURCJWLPNXKPV-UHFFFAOYSA-N 275.308 1.820 0 50 CDAA Cc1ccc(-n2cc(C(=O)N3CCC[C@@H]3CN)nn2)cc1 237829063 UXLSTOOLJVKZDN-CYBMUJFWSA-N 285.351 1.139 0 50 CDAA Cc1ccccc1CC(=O)N[C@@H]1CCCN(C)C1=O 336203365 GUNINISGZPAKMK-CYBMUJFWSA-N 260.337 1.275 0 50 CDAA CC1(C)COCN1S(=O)(=O)c1c[nH]c2ncccc12 241287132 LKESREVBHLZSAF-UHFFFAOYSA-N 281.337 1.320 0 50 CDAA Cc1cc(N[C@H]2CCO[C@@H]2c2ccnn2C)n2ncnc2n1 284591218 QFYLFWRNPXHRKP-GWCFXTLKSA-N 299.338 1.108 0 50 CDAA C[C@@H]1CN(CCN2CCC[C@@H](OCC3CC3)C2)CCO1 241588054 OZFZLHWJQWUCMG-GDBMZVCRSA-N 282.428 1.598 0 50 CDAA O=C(NCCn1ccnc1[C@@H]1CCOC1)c1cccnc1 72407428 UHHPIWKKELCEOT-CYBMUJFWSA-N 286.335 1.212 0 50 CDAA Cn1cc(C(=O)NCCCn2ccnn2)c2ccccc21 182728044 USDJZSRAVPHORC-UHFFFAOYSA-N 283.335 1.590 0 50 CDAA Cc1cnn(CC(=O)Nc2cnn(CC3CC3)c2)c1 608252950 VZQIEBXFZDJKIC-UHFFFAOYSA-N 259.313 1.437 0 50 CDAA COCc1cc(CNC(=O)c2cc(C(C)C)nn2C)n[nH]1 82097864 WLPWSRBXPBJGMZ-UHFFFAOYSA-N 291.355 1.343 0 50 CDAA Cc1ncc(C(=O)N[C@@H](C)[C@@H](C)C(=O)O)c(C(C)C)n1 263492568 XCRFKXWFYFWYSH-BDAKNGLRSA-N 279.340 1.747 0 50 CDAA CC(C)[C@@H]1OCC[C@H]1C(=O)N(C1CC1)[C@@H](C)C(=O)O 263561379 RVUCNHATVVMBNQ-WCQGTBRESA-N 269.341 1.512 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)c1cccc(O)c1C 223585703 LDEGQJCDBNHVIF-SNVBAGLBSA-N 274.324 1.803 0 50 CDAA CCO[C@]12C=C[C@](OCC)(CC1)[C@@H](C(=O)O)[C@H]2C(=O)O 43167967 GNYKZCWECLDKMM-DHPDLVEQSA-N 284.308 1.302 0 50 CDAA CCN(Cc1noc(C)n1)C(=O)Cc1cc(C)no1 220270041 UQPJYSHHDKDCKU-UHFFFAOYSA-N 264.285 1.266 0 50 CDAA O=C(NCc1cc(F)cc(F)c1)[C@H]1C[C@H]1C(=O)O 177940812 QTZBDFUQDVOJQH-VHSXEESVSA-N 255.220 1.302 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCCc1ccccn1 426503567 ROOBXSMHAZBLQP-GFCCVEGCSA-N 272.352 1.897 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 237483680 VLJOGGSTPRKVJY-ZHVYSYIMSA-N 287.363 1.137 0 50 CDAA CCN1CCCC[C@@H]1C(=O)N(C)CCn1cccn1 97527191 WGAYRUCJDHVLMH-CYBMUJFWSA-N 264.373 1.216 0 50 CDAA O=C(CCn1ccc2ncccc2c1=O)N1CCCC1 95369777 MDSGEQAXBTVIJL-UHFFFAOYSA-N 271.320 1.409 0 50 CDAA CN[C@H](c1ccccc1)c1nc(-c2cccnn2)no1 95519097 GKMBTJJZFIXORY-GFCCVEGCSA-N 267.292 1.835 0 50 CDAA Cn1ccnc1CN1CCN(c2cc(C3CC3)ncn2)CC1 91725286 OYOYFLWLQAQREF-UHFFFAOYSA-N 298.394 1.410 0 50 CDAA O=S1(=O)CC[C@@H](N/C(O)=C2\N=NC3=C2CCC3)C1 334159242 WBUVGGLEYIBYEX-XQTQKYGKSA-N 269.326 1.394 0 50 CDAA CC(C)(O)[C@@H]1CCCN(Cc2cnn(CCC(=O)O)c2)C1 97213237 OEYBEUHDBINYKA-CYBMUJFWSA-N 295.383 1.341 0 50 CDAA CC(=O)NCCNC(=O)c1c[nH]nc1-c1cccc(F)c1 96139839 UGWOTPBXXWTKBN-UHFFFAOYSA-N 290.298 1.082 0 50 CDAA Cc1ccccc1[C@H](C(=O)NCCCO)N(C)C 95373761 DFVGSHUJFIPMSV-CYBMUJFWSA-N 250.342 1.096 0 50 CDAA CCc1ccc(CN(C)C[C@@H](C)n2cncn2)nc1 244659545 HEOJGAVMHSPJGU-GFCCVEGCSA-N 259.357 1.929 0 50 CDAA CCC[C@@H]1C[C@H](C(=O)N2C[C@H](C)O[C@@H](CO)C2)CCO1 248732047 GDHROFPMQMKKCE-REWJHTLYSA-N 285.384 1.190 0 50 CDAA Nc1ccnc(CC[C@H]2COc3ccccc3O2)n1 244874256 WXMZKCCBNIWUOU-JTQLQIEISA-N 257.293 1.831 0 50 CDAA C[C@@H](c1ccncn1)N(C)CCC(=O)Nc1nccs1 240517124 NVHSCKSLFOEQEF-JTQLQIEISA-N 291.380 1.955 0 50 CDAA CCc1nnc(CNC(=O)c2ccn(C(C)C)n2)o1 348630101 NADQLVUAUKLWDB-UHFFFAOYSA-N 263.301 1.339 0 50 CDAA O=C(C[C@H]1CCOC1)N1CC(Oc2ccccc2)C1 606840979 IXBOCAOAOGKLMY-GFCCVEGCSA-N 261.321 1.703 0 50 CDAA CN[C@H]1CCCN(C[C@H](O)COc2ccccc2)C1 864097322 STKOQDUZSWJHSA-KBPBESRZSA-N 264.369 1.110 0 50 CDAA Cc1cn2nc(C(=O)O)cc2c(N2CCSCC2)n1 252498443 RCFBKXVOXBWMST-UHFFFAOYSA-N 278.337 1.289 0 50 CDAA Nc1ccc([C@H](O)CN2[C@H]3CC[C@H]2CC(O)C3)cc1 250242523 IOQGQLHWTMFBFF-KCQAQPDRSA-N 262.353 1.290 0 50 CDAA biogenic CCc1ccc([C@H](COC)NC(=O)[C@@H]2C[C@H]2C(=O)O)o1 268914605 OZMLFBWHYYYVLX-MXWKQRLJSA-N 281.308 1.366 0 50 CDAA Cc1ccc(F)cc1C(=O)N1CCOC[C@H](C(=O)O)C1 700400347 XCXUGUHUGBOATH-SNVBAGLBSA-N 281.283 1.307 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Cc2ccccc2)C1 268912403 NWBWIVHGAMDAGH-BFHYXJOUSA-N 273.332 1.798 0 50 CDAA NC(=O)c1ccc(=NC[C@H]2CCN(C3CCCC3)C2)[nH]c1 534670885 VRTLWEJPRGFRES-GFCCVEGCSA-N 288.395 1.279 0 50 CDAA CCC[C@H](NC(=O)N(C)Cc1cc[nH]n1)c1nccn1C 534668925 QBKPCUQJCLGIMH-LBPRGKRZSA-N 290.371 1.826 0 50 CDAA O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCc2c[nH]nc2C1 370435463 ZQECDFGREOFTNE-LBPRGKRZSA-N 299.330 1.355 0 50 CDAA Cc1nc(C(=O)NC[C@H]2CCC3(CCNCC3)O2)cs1 299799353 RAKHPSWREJZJKR-LLVKDONJSA-N 295.408 1.483 0 50 CDAA Cn1ccnc1[C@H](NC(=O)Cc1cccnc1)C1CC1 299758070 AMXWXJJFOPWVSV-CQSZACIVSA-N 270.336 1.625 0 50 CDAA Cc1nc([C@H](C)NC(=O)CCN2CCCC2=O)c(C)s1 299773687 FFHSTEBESICENA-VIFPVBQESA-N 295.408 1.950 0 50 CDAA CN(C)c1cccc(NC(=O)NCCc2nncn2C)c1 299785115 QHASXORRBFMAOE-UHFFFAOYSA-N 288.355 1.245 0 50 CDAA OC[C@H]1CCCCN1CCNC1CSCCSC1 828710945 QOLSWFBDRJLYRH-CYBMUJFWSA-N 290.498 1.271 0 50 CDAA CC(C)N1C[C@H](OCc2ccc(F)cc2)CN(C)CC1=O 823754627 AWKPISGOBYBWDJ-OAHLLOKOSA-N 294.370 1.893 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 584898201 XJUBUEYVWSNMTJ-LLVKDONJSA-N 289.339 1.013 0 50 CDAA CC(=O)N1CCC(CNc2nc(N)nc(C)c2Cl)CC1 820566797 QEHUDEUADNJQDZ-UHFFFAOYSA-N 297.790 1.691 0 50 CDAA O=C(c1cncc(F)c1)N1CCN(C(=O)C2CCC2)CC1 584890314 RRSWSBCHRXIWNL-UHFFFAOYSA-N 291.326 1.305 0 50 CDAA CCN1C[C@H](CN(C)Cc2cnc(N(C)C)s2)CC1=O 670451542 GNWVUPGNOZMOIF-NSHDSACASA-N 296.440 1.509 0 50 CDAA CN1CCC2(CC1)CN(c1nccs1)CCO2 846750747 FYYJWUZJTYVUHA-UHFFFAOYSA-N 253.371 1.444 0 50 CDAA CCOC(=O)CN(C(=O)N1CCCC1)c1ccc(F)cn1 1875378757 DKZBIXXIGCXNTC-UHFFFAOYSA-N 295.314 1.806 0 50 CDAA CCC(=O)N1CC(NC(=O)c2cccc3ccn(C)c23)C1 1875317386 VYSMSGXGYOEGPF-UHFFFAOYSA-N 285.347 1.529 0 50 CDAA O=C(c1nc(C2CC2)no1)N1CC[C@@H](c2cc[nH]n2)C1 1875282766 RPJNHODDQFLOSD-SECBINFHSA-N 273.296 1.300 0 50 CDAA O=C(Nc1nccs1)N1[C@H]2CC[C@@H]1C[C@H](O)C2 1875288603 OMJRMBNZDBXGLT-BRPSZJMVSA-N 253.327 1.663 0 50 CDAA Cc1c(C(=O)NCc2nc[nH]n2)ccc2cnc(C3CC3)n12 1875257877 MTOLQIHFCOYJMA-UHFFFAOYSA-N 296.334 1.568 0 50 CDAA O=C1NCCN[C@@H]1c1ccc([C@H]2CC23CCOCC3)cc1 1875272747 IRNNSQNFMXFQPC-HUUCEWRRSA-N 286.375 1.731 0 50 CDAA Cc1[nH][nH]c(=NC(=O)c2nc([C@H](C)N)sc2C)c1C 1875287557 OXOYSWPDFITPKN-LURJTMIESA-N 279.369 1.485 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cccnc1C1CC1 1875273292 MOASUMILJGVXQP-HWKANZROSA-N 260.293 1.418 0 50 CDAA COc1ccnc(Cn2cc([C@H](O)C3CC3)nn2)c1 881286666 BTGXIGTWQCGCLW-CYBMUJFWSA-N 260.297 1.173 0 50 CDAA CN(C(=O)[C@H]1CC1(C)C)C1CCS(=O)(=O)CC1 952981100 GMNCURSOXAPQQJ-SNVBAGLBSA-N 259.371 1.068 0 50 CDAA CO[C@@H](C)C(=O)Nc1cc(C)ccc1NC(=O)CN(C)C 952962746 CPQHUERDNPODDT-NSHDSACASA-N 293.367 1.469 0 50 CDAA CC(C)=C(F)C(=O)N1CC[C@H](c2n[nH]cc2N)C1 952851668 QHKJMORLAAIVMG-QMMMGPOBSA-N 252.293 1.571 0 50 CDAA CC1(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)CCOCC1 1076078996 SLRTXYNDPWEOEI-KGLIPLIRSA-N 292.383 1.240 0 50 CDAA Fc1cnc(C[C@@H]2CC[C@H](CN3CCSCC3)O2)nc1 952854541 KPXJZZISFHAMTQ-QWHCGFSZSA-N 297.399 1.755 0 50 CDAA COc1c(F)cccc1CNCCCN1CCC[C@H](O)C1 952970977 WQTXWKPSXZXBEO-AWEZNQCLSA-N 296.386 1.771 0 50 CDAA CO[C@@H]1CN(CC2=CCCCC2)C[C@H]1c1cn(C)nn1 886072054 MLARBKYEIXJMDR-DZGCQCFKSA-N 276.384 1.730 0 50 CDAA CC(=O)N1CC(N[C@@H](C)c2ccc(C(F)F)nc2)C1 888101186 NWRZSVSIDFKPSO-QMMMGPOBSA-N 269.295 1.901 0 50 CDAA Cc1cnn(CCC(=O)N2C[C@H]3C[C@]3(C(F)(F)F)C2)c1 1776002690 NWLPWERIYOVXCA-PWSUYJOCSA-N 287.285 1.992 0 50 CDAA C=CC(=O)NCc1ccccc1CN1CCCC1=O 1336724023 KSDRELFXWAEOOU-UHFFFAOYSA-N 258.321 1.611 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565509654 HKQNDHQKLYCOOJ-OLZOCXBDSA-N 296.411 1.820 0 50 CDAA Nc1ncc(Br)nc1OCC(F)(F)F 82046743 FXSKBBHFAMOJHI-UHFFFAOYSA-N 272.024 1.762 0 50 CDAA in-vitro CC[C@H](C(N)=O)S(=O)(=O)c1ccc(C)c(C)c1 276888715 JTZJLKOECUXNGK-LLVKDONJSA-N 255.339 1.341 0 50 CDAA Cc1ccc(NC(=O)CN(C)[C@H](C)C[S@](C)=O)c(C)c1 170594534 NQZTZUVRWODVIE-XCLFUZPHSA-N 296.436 1.941 0 50 CDAA CO[C@H](CNCc1nncn1-c1ccccc1)C1CC1 585117677 RDEKCASSGRIYHH-CQSZACIVSA-N 272.352 1.782 0 50 CDAA C[C@H]1CCC[C@H](CNC(=O)NCC2CS(=O)(=O)C2)C1 585137730 RDBYFBMYPVMYPA-QWRGUYRKSA-N 288.413 1.157 0 50 CDAA COC(=O)[C@H]1CCc2nnc(-c3cccc(C)n3)n2CC1 601045359 WIZQVJKAIUPNTA-NSHDSACASA-N 286.335 1.774 0 50 CDAA CCc1cnc(CC(=O)N2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[nH]1 635939549 PXHQEMYFFNADGT-WFASDCNBSA-N 291.395 1.931 0 50 CDAA COc1nc(C)cc(=N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[nH]1 408219122 LJUQHDTWSCOLSD-WCQGTBRESA-N 263.341 1.441 0 50 CDAA O=C(Cn1c(=O)c(Cl)cc2ccccc21)NC1CC1 408524984 FOUIPIICTJBOJR-UHFFFAOYSA-N 276.723 1.934 0 50 CDAA Cn1cc([C@@H]2CSCCN2C(=O)[C@H]2CCCO2)cn1 191997875 HPTWSBOBVDMDMP-NWDGAFQWSA-N 281.381 1.216 0 50 CDAA CC(=O)N[C@H](C(=O)NOCc1ccc(F)cc1)C(C)C 754723892 NMHOCLFYNZBJRG-ZDUSSCGKSA-N 282.315 1.534 0 50 CDAA COCc1cc(N2CCCC[C@H]2c2nc(O)n[nH]2)ncn1 565667542 MFZFRADTFRPPOQ-JTQLQIEISA-N 290.327 1.178 0 50 CDAA O=c1n(Cc2ccc(-c3ccccn3)nc2)nnn1C1CC1 575603800 NMDKLUKVSQOFTQ-UHFFFAOYSA-N 294.318 1.280 0 50 CDAA C[C@H](O)C(=O)NCCc1ccc(C(F)(F)F)cn1 1347736448 ZTYYZRJBLUFRJY-ZETCQYMHSA-N 262.231 1.140 0 50 CDAA CSC[C@H]1CCCN(c2ncncc2C(=O)O)C1 95353335 RJLFVOUMHNHHOD-VIFPVBQESA-N 267.354 1.754 0 50 CDAA C[C@@H](OC(=O)c1cnnn1C)c1nc2ccccc2o1 798492105 WMDNNCZEMLBACV-MRVPVSSYSA-N 272.264 1.874 0 50 CDAA CC(C)c1ccc(N(C)CC2CCN(CCO)CC2)nn1 1506430924 ZLPRDUXTHQUZOX-UHFFFAOYSA-N 292.427 1.741 0 50 CDAA CNC(=O)C[C@H]1CCN(c2ccc(C(C)C)nn2)C1 1506415744 CBXVZLKUBROTBR-LLVKDONJSA-N 262.357 1.562 0 50 CDAA COc1ccc(OC)c(-c2nccc(NCC(=O)O)n2)c1 1506428285 OIGJCVMMXWRALT-UHFFFAOYSA-N 289.291 1.657 0 50 CDAA O=C(c1ccsc1)N1CCN2[C@@H](C3CC3)COC[C@H]2C1 1529133625 SDFMRZNRHLXXAU-ZIAGYGMSSA-N 292.404 1.683 0 50 CDAA COC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OC 2530867 PJZVBCPDYSZAJU-UHFFFAOYSA-N 268.109 1.238 0 50 CDAA in-vitro C[C@@H](N)CCNS(=O)(=O)c1cc(F)ccc1Cl 123900079 OKCVZAREWUKYND-SSDOTTSWSA-N 280.752 1.495 0 50 CDAA CC[C@@H](C)[C@](C)(O)CNc1ncccc1C(=O)O 647450589 WAMZKSVBYXCTBL-NOZJJQNGSA-N 252.314 1.989 0 50 CDAA N=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCC1(O)CCC1 334058485 XGPCKTLDWFDUEV-TUAOUCFPSA-N 252.358 1.927 0 50 CDAA O=C(O)[C@H]1CCN(CCOc2ccc(Cl)cc2)C[C@H]1O 1704315301 RBHCJYAAMJFUBS-QWHCGFSZSA-N 299.754 1.486 0 50 CDAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3ccoc3)CCN21 1616069725 BJKZZWJVLOEGRV-KGLIPLIRSA-N 278.352 1.605 0 50 CDAA COC(=O)[C@]1(c2cccc(Br)c2)CCNC1 261218622 KGPOWXUHIZISAU-GFCCVEGCSA-N 284.153 1.853 0 50 CDAA Cc1nn(CC(=O)N[C@@H]2CCNC23CCC3)c2ncccc12 1615546504 LMVGMOYFSZUUEI-CYBMUJFWSA-N 299.378 1.141 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1C[C@@](O)(C(F)(F)F)C1 585670003 VKIUORAPQPBASU-JOTVFPGJSA-N 255.236 1.967 0 50 CDAA CC(C)c1csc(CN2CCC([C@H](O)CO)CC2)n1 1772705701 MQSAFJHIDOLYQW-CYBMUJFWSA-N 284.425 1.832 0 50 CDAA O=C1CCc2c1cccc2C(=O)N1CCC[C@@H]1C1(O)CC1 1772815521 NCRBKFHAJZRHCW-OAHLLOKOSA-N 285.343 1.945 0 50 CDAA CN(CCOc1ccccc1)C[C@H]1CCC(=O)N(C)C1 1775983156 YTSXTIPJXPIASV-CQSZACIVSA-N 276.380 1.866 0 50 CDAA CS(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)O)cc1 12954869 WQTJPSIFDVJXGN-LLVKDONJSA-N 269.322 1.144 0 50 CDAA CNC(=O)c1nn(C)c2c1C[C@H](N1CCCCCC1)CC2 14536373 JWRTYJKEMBENOZ-GFCCVEGCSA-N 290.411 1.513 0 50 CDAA COC(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 15446277 DFOVPGKRRVEJGG-UHFFFAOYSA-N 279.317 1.820 0 50 CDAA CC(C)(C)OC(=O)NCC1CCN(C2CCNCC2)CC1 16124107 YOQSKBHJINOZQI-UHFFFAOYSA-N 297.443 1.975 0 50 CDAA Cn1nccc1CCC(=O)N1CCO[C@H](c2ccccc2)C1 163827864 AVMPAQCQCLGWAL-INIZCTEOSA-N 299.374 1.953 0 50 CDAA Cc1cccnc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2C1CC1 1857684232 DSJNKCMBNGRIEE-STQMWFEESA-N 285.347 1.368 0 50 CDAA O=C([C@@H]1CCCc2nn[nH]c21)N1CCC[C@@H]1[C@H]1CCCO1 614588979 AWPIKVZASCGPCR-RAIGVLPGSA-N 290.367 1.395 0 50 CDAA CC(C)n1cnnc1C1CCN(C(=O)c2cn[nH]c2)CC1 331947379 QGTFAYMYVMUOIT-UHFFFAOYSA-N 288.355 1.602 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NC[C@@H](Cc1ccccc1)C(=O)O 237440901 HZOACPRZZJLYQQ-RAIGVLPGSA-N 261.321 1.702 0 50 CDAA CC(C)c1nnc(CN2CCC[C@H](CC(N)=O)CC2)n1C 671508452 NBDTXRPRSRLNEM-LBPRGKRZSA-N 293.415 1.416 0 50 CDAA C[C@H](C(=O)OC(C)(C)C)c1nc(-c2cnccn2)no1 585120233 ATNMUQLBIUEHFB-QMMMGPOBSA-N 276.296 1.972 0 50 CDAA O=S(=O)(Cc1ccon1)c1ccc2c(c1)OCCO2 265969102 SYFAGXQQXZFDRI-UHFFFAOYSA-N 281.289 1.420 0 50 CDAA C=CC(=O)N(CC)CC(=O)NC1CCSCC1 900476081 MJJUKGYQQMHPME-UHFFFAOYSA-N 256.371 1.033 0 50 CDAA CCc1nc2c(C(=O)N[C@@H]3Cc4cncn4C3)ccnc2[nH]1 821385228 JBIIPLMPRRWFOT-SECBINFHSA-N 296.334 1.072 0 50 CDAA CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccccc2)nn1 829009133 NLLRHJZKIHKFIC-KBPBESRZSA-N 297.362 1.401 0 50 CDAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1cnn(-c2ccccc2)n1 935182955 LPNLDYVTDTYRNO-GWCFXTLKSA-N 288.307 1.010 0 50 CDAA Cc1ccc(C)c(CN(C)C(=O)C[C@H]2CC(=O)NC2=O)c1 935643904 TVNXFPZTIIBIBY-GFCCVEGCSA-N 288.347 1.315 0 50 CDAA C=CC(=O)N1CC2(CCOCC2)CC[C@H]1C(=O)O 1857786840 GATYLRMYLVSEQZ-JTQLQIEISA-N 253.298 1.045 0 50 CDAA C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H]1C(=O)O 111250072 KZTBWYNQNURROU-DGCLKSJQSA-N 277.320 1.635 0 50 CDAA CCN1CCCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 225227707 HVFCXRQYCQSTKI-GJZGRUSLSA-N 281.444 1.804 0 50 CDAA CCOc1cc(C(=O)NCCOC)ccc1OC 2871740 DKANMXQPNCVSED-UHFFFAOYSA-N 253.298 1.470 0 50 CDAA Cc1cnccc1CNC(=O)[C@H](N)Cc1ccccc1 228688434 RCZDTOAZLGTRDV-OAHLLOKOSA-N 269.348 1.576 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2cccc3cn[nH]c23)C1 261765549 IHPJHFMIIQKNNR-SECBINFHSA-N 259.265 1.110 0 50 CDAA CCN(C[C@H]1COc2ccccc2O1)[C@H](C)C(=O)O 262003065 UUFTVGOOGUYRTA-MNOVXSKESA-N 265.309 1.621 0 50 CDAA CCOC[C@H]1CN([C@@H](C(=O)O)c2ccccc2)CCO1 530171803 FURPIZABEZVCFQ-ZIAGYGMSSA-N 279.336 1.550 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 426428786 NHMUBVBWKJKLED-VHSXEESVSA-N 265.313 1.144 0 50 CDAA O[C@@H](CN1CCn2c(nnc2C2CC2)C1)CC(F)(F)F 375498361 RZQXCXJEPZDXJI-SECBINFHSA-N 290.289 1.284 0 50 CDAA CO[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 211199628 NXPCFLVHUVYSBC-LBPRGKRZSA-N 259.302 1.487 0 50 CDAA Cc1ccc(OCC(=O)N2C[C@@H](C)[C@](C)(CN)C2)cc1 423988443 XNXAICDSIOBPSE-CZUORRHYSA-N 276.380 1.817 0 50 CDAA O=C(NCCc1c[nH]c2ncccc12)[C@@H]1CNCC12CC2 2325750496 YOVAYQVXRYDUCS-ZDUSSCGKSA-N 284.363 1.221 0 50 CDAA c1cc2c(N3CCC4(CC3)OC[C@@H]3C[C@H]34)ncnn2c1 2325789248 GVXIZLAYTOYTDI-NWDGAFQWSA-N 270.336 1.735 0 50 CDAA N[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 132228406 ZWFJXEYSAMQKPF-LBPRGKRZSA-N 264.756 1.931 0 50 CDAA O=C(C[C@@H](C(=O)O)[C@@H]1CCCO1)NCc1ccccc1 31894 QHAHXMVJTKMDFO-OLZOCXBDSA-N 277.320 1.573 0 50 CDAA CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 126454 NUYKMJOBLOJJPX-UHFFFAOYSA-N 278.333 1.889 0 50 CDAA CCOC(=O)CNc1cccc(NCC(=O)OCC)c1 289441 CFBOZPCQSVAZKT-UHFFFAOYSA-N 280.324 1.637 0 50 CDAA CCOC(=O)[C@H]1[C@H](C(=O)OCC)C(=O)OC12CCCC2 306589 AYZLVVNNSNFGQM-NXEZZACHSA-N 284.308 1.215 0 50 CDAA C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCNC1=O 316456 GBEIJZKCDDUPQQ-AAEUAGOBSA-N 260.337 1.260 0 50 CDAA CNC(=O)C[C@](C)(C(=O)O)c1ccc(OC)cc1 506652 FCJQSHZRWAYMJI-ZDUSSCGKSA-N 251.282 1.174 0 50 CDAA CC1=C(C(=O)N(C)C)[C@H](c2cccs2)NC(=O)N1 555255 HKWZKWYCHHSISA-JTQLQIEISA-N 265.338 1.464 0 50 CDAA CCCCO[C@H](C)n1cc(Br)c(=O)[nH]c1=O 2183549 DATLBWSUPFFBCD-SSDOTTSWSA-N 291.145 1.634 0 50 CDAA O=C(c1cc2ccccc2cn1)N1C[C@H]2COC[C@@]2(CO)C1 2356139097 NCCHMJZDUASJCE-YOEHRIQHSA-N 298.342 1.316 0 50 CDAA CSC1=NCCN1S(=O)(=O)c1ccc(F)cc1 2711366 ZJPMPSZVQZSRHQ-UHFFFAOYSA-N 274.342 1.549 0 50 CDAA CCOc1ccc(C(=O)CCN[C@H](C)C(=O)O)cc1 2922158 CZNXKBQSMBKMMU-SNVBAGLBSA-N 265.309 1.721 0 50 CDAA Cn1ccnc1[C@@H](NCC1CCOCC1)C1CCOCC1 343406734 VOARULCNIDPFCX-HNNXBMFYSA-N 293.411 1.904 0 50 CDAA O=S(=O)(c1cccc(Cl)c1)N1CCOCC1 7308549 CYJSBFQITNTPNI-UHFFFAOYSA-N 261.730 1.361 0 50 CDAA C[C@H](C(=O)O)N1C(=O)Cc2cc(Br)ccc21 8306771 ZLGMXKNZTSXNPA-ZCFIWIBFSA-N 284.109 1.811 0 50 CDAA CCc1ccsc1C(=O)NS(=O)(=O)[C@@H](C)COC 113699443 VDYPKIRTAPOTBY-QMMMGPOBSA-N 291.394 1.405 0 50 CDAA Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H](O)C3)nc1N(C)C 102787103 YAOXCLNCRNEQHQ-GDNZZTSVSA-N 262.357 1.343 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](N)C2)c(F)cc1F 135211137 JZKTYWWJFKBKCG-VIFPVBQESA-N 254.280 1.837 0 50 CDAA O=C(Cn1nc2ccccc2n1)N1CCOc2ccccc21 20256002 DVYGQFSWKGVFGF-UHFFFAOYSA-N 294.314 1.857 0 50 CDAA Cc1cccc2c(=NC[C@@H]3CCN(C)C(=O)C3)[nH]cnc12 425269146 RXJVKYQDKZWJMB-GFCCVEGCSA-N 284.363 1.640 0 50 CDAA Cc1ccc2c(=O)n(CCN3CCC[C@H](O)C3)cnc2c1 32540588 VNYYULOPTJECGY-ZDUSSCGKSA-N 287.363 1.162 0 50 CDAA Nc1cnc(-n2ccnc2-c2ccc(C(=O)O)s2)cn1 67696697 LEHNCNCZOALSCF-UHFFFAOYSA-N 287.304 1.671 0 50 CDAA COc1ccc(Cl)cc1N1C(=O)[C@@H]2COCCN2C1=O 328594772 BJCUCBUZOOIZOW-JTQLQIEISA-N 296.710 1.516 0 50 CDAA CCN1CCN(C(=O)c2ccc(C)nc2)C[C@@H]1c1ncc[nH]1 328636023 VHTZYBXJGWSTGG-CQSZACIVSA-N 299.378 1.632 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC2)CCO1 328638165 OZMXMRWZBVLITA-OAGGEKHMSA-N 292.423 1.602 0 50 CDAA Cc1cc(Cl)cc2c1NC(=O)[C@@]2(O)N1CCOCC1 30781650 ZXCGIXYZCCRFPQ-CYBMUJFWSA-N 282.727 1.078 0 50 CDAA COCc1noc(CN2CCC(c3ccn[nH]3)CC2)n1 182185777 VMMHVPFRTREOBD-UHFFFAOYSA-N 277.328 1.319 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CNC(=O)C2)C1 258147915 ZTPXDUOFSULYBY-NXEZZACHSA-N 254.330 1.380 0 50 CDAA CC(C)c1cc(N[C@H]2CCCNC2=O)n2nccc2n1 72431269 FHSCVGBVMBQNLX-JTQLQIEISA-N 273.340 1.543 0 50 CDAA C[C@H]1COCC[C@H]1NC(=O)CCOC1CCOCC1 333003200 VXFQBCMCBOKKQV-WCQYABFASA-N 271.357 1.113 0 50 CDAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2[C@H](C)N)nn1C 236883698 MAYCAPIWAVUQGF-WCQYABFASA-N 278.400 1.885 0 50 CDAA COc1ccc(F)cc1C(=O)N1CC[C@](C)(C(=O)O)C1 237168830 OAAGKSWOKFAODJ-AWEZNQCLSA-N 281.283 1.771 0 50 CDAA CCn1ncnc1CN(C)[C@H](C)Cc1cnccn1 215225036 DQCQTLLXGMCRBR-LLVKDONJSA-N 260.345 1.151 0 50 CDAA COc1ccc2c(c1)c(=O)c1c(C)nn(C)c1n2C 34144104 OMBVUWGTKKUUTO-UHFFFAOYSA-N 257.293 1.742 0 50 CDAA COC(=O)[C@H](N)CCCNC(=O)OCc1ccccc1 34199491 BJNJTVSXZUTHRA-GFCCVEGCSA-N 280.324 1.193 0 50 CDAA CC[C@@H](C)[C@H](NC(=O)CCc1cc(Cl)no1)C(=O)O 218193720 PRONLOXVAYXQNT-HQJQHLMTSA-N 288.731 1.876 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)CCCc1nc(C2CC2)no1 238065466 KCFAWSFNNPZEBK-SNVBAGLBSA-N 293.323 1.345 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 238086711 WJLFKQTVBLBGPD-RYUDHWBXSA-N 289.331 1.876 0 50 CDAA Cc1ccnc(N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c1 284447357 GFIJGIKIWFZAED-HNNXBMFYSA-N 287.367 1.660 0 50 CDAA COC(=O)c1cncnc1N1CCC[C@]2(CCCCO2)C1 376394470 JMNXPSZGBZTUNL-OAHLLOKOSA-N 291.351 1.803 0 50 CDAA CCc1n[nH]cc1C(=O)N1CCN(CC(C)C)C(=O)[C@H]1C 77420866 QDKRYNURZSZFRT-LLVKDONJSA-N 292.383 1.301 0 50 CDAA O=C1NC[C@@]2(CCCN(C(=O)Cc3cccnc3)CC2)O1 72143875 NZSLNWXBOKKKRP-HNNXBMFYSA-N 289.335 1.115 0 50 CDAA O=C(CN1CCc2ccccc2C1=O)N=c1cc[nH]cc1 336048673 GGLJTPRJCQOGRR-UHFFFAOYSA-N 281.315 1.141 0 50 CDAA Cc1cc(CN2CCC3(CC2)OCCC[C@H]3O)on1 215796593 GRAZMFGCCOIQOZ-CYBMUJFWSA-N 266.341 1.489 0 50 CDAA CC[C@]1(C)CN(C(=O)N[C@H]2CCO[C@H]2C)CCO1 241588112 OZTJVHOLKRCWSG-GMXVVIOVSA-N 256.346 1.374 0 50 CDAA CN(C)[C@H](C(=O)N1CC[C@@H](CN)C1)c1ccccc1 178551742 LDNNGYPSMAVLIK-JSGCOSHPSA-N 261.369 1.097 0 50 CDAA Cn1nccc1/C=C/C(=O)N1C[C@H](C(=O)O)c2ccccc21 177482452 PWUVDGRFYALXHC-YBJDMEARSA-N 297.314 1.648 0 50 CDAA CN(C(=O)c1ccc[nH]c1=O)C1Cc2ccccc2C1 48926643 COAFKBPCXSCBJW-UHFFFAOYSA-N 268.316 1.614 0 50 CDAA CC(C)C[C@@H](CC(=O)O)NC(=O)c1cc(C(F)F)[nH]n1 426535116 IMWYMQFWJJDNIK-ZETCQYMHSA-N 289.282 1.967 0 50 CDAA Cc1ccn2c(C(=O)N[C@H](C)Cn3cncn3)c(C)nc2c1 426401789 HYAYZVWDRTUOEF-LLVKDONJSA-N 298.350 1.361 0 50 CDAA Cc1nc(O)c2c(n1)CN(C(=O)c1nc(C)sc1C)C2 426740554 OFHSODVJUCRHGQ-UHFFFAOYSA-N 290.348 1.720 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1ccc2c(c1)CCO2 426690274 JYTRIRSIBKSHJW-GFCCVEGCSA-N 261.321 1.664 0 50 CDAA O=C1O[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3C(=O)N1CCc2ccccc21 239235822 WUJYROUWYWTOOG-SOMZYNEFSA-N 283.327 1.773 0 50 CDAA COc1ccc([C@H](C(=O)O)N(C)Cc2ncc[nH]2)cc1F 95359423 IGFBXFFKLNOYIE-CYBMUJFWSA-N 293.298 1.815 0 50 CDAA COC(=O)c1ccc(NC(=O)N2CC[C@H](N)C2)cc1Cl 96150674 RMXCOPVDZJVBQQ-QMMMGPOBSA-N 297.742 1.692 0 50 CDAA NC(=O)[C@H](c1ccc(F)cc1)N1CCC[C@H](O)CC1 293100682 LAVQWILBRBFURQ-STQMWFEESA-N 266.316 1.199 0 50 CDAA CCn1nc(CC(C)C)cc1C(=O)NCc1nnc(C)o1 91593216 RMSQWEZEBJMJIZ-UHFFFAOYSA-N 291.355 1.723 0 50 CDAA CCCC[C@@H](NC(=O)c1c(C)c(C)c(C)[nH]c1=O)C(N)=O 97505724 DDFKADHVUAMVBO-LLVKDONJSA-N 293.367 1.074 0 50 CDAA CCC[C@]1(C(=O)O)CCCN(C(=O)C2(C)COC2)C1 91849393 UEWRRDJCLUOQJY-AWEZNQCLSA-N 269.341 1.516 0 50 CDAA O=C(OCc1ccccc1)N1C[C@@H](F)C[C@H](CO)C1 96028453 ZYUFGYBYCICBDN-STQMWFEESA-N 267.300 1.976 0 50 CDAA O=S1(=O)CCC(CN2CC[C@H](O)C23CCCC3)CC1 333398194 DZLIERYRIJCBHV-ZDUSSCGKSA-N 287.425 1.191 0 50 CDAA CN(Cc1ccc2nonc2c1)c1ncncc1C(=O)O 95377978 CIVLKKOINZOVAA-UHFFFAOYSA-N 285.263 1.347 0 50 CDAA O=S(=O)(C[C@H]1CCOC1)N1CCC[C@H]1c1ccco1 239352368 ABYKANGLEKFKQI-RYUDHWBXSA-N 285.365 1.783 0 50 CDAA O=C(NCc1ccc(F)cc1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239038813 DYQAYSRMGPIASW-LPWJVIDDSA-N 291.278 1.096 0 50 CDAA CCCn1cnnc1CNc1cc([C@H]2C[C@@H](O)C2)ncn1 244602064 DWZHNXMTBOYRGJ-PHIMTYICSA-N 288.355 1.329 0 50 CDAA O[C@H]1C[C@@H](c2cc(N3CCSCC3)ncn2)C1 244794745 QSUSEJNSEVPDIQ-AOOOYVTPSA-N 251.355 1.268 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)COC[C@@H]1CCCO1 244707843 KINZTTOLDSZYCR-ZDUSSCGKSA-N 295.383 1.271 0 50 CDAA O=C(N[C@H]1CC[C@H](O)CC1)c1cc(C(F)(F)F)n[nH]1 244811800 SLLBPXQSDLQUCM-LJGSYFOKSA-N 277.246 1.462 0 50 CDAA C[C@@H]1C(=O)NCCCN1c1cnc2cc(Cl)ccc2n1 624151032 FLGCEMBZGFHODU-SECBINFHSA-N 290.754 1.998 0 50 CDAA COC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@@H]3C(C)=C(C)[C@H]32)[C@H]1C(=O)OC 253590841 KNMGUPAWWMJYRE-JAYDOHCTSA-N 276.332 1.963 0 50 CDAA COc1ccc2c(=O)n([C@H]3CCCNC3)cnc2c1 258073520 FJZJVJRPTVKISD-JTQLQIEISA-N 259.309 1.330 0 50 CDAA O=C(Nc1ccncc1F)N1CC[C@]2(CCOC2)C1 184147613 LHVZLDZFXFRQAT-ZDUSSCGKSA-N 265.288 1.865 0 50 CDAA O=C(O)[C@H]1COCCN1C(=O)c1cc2c(F)cccc2[nH]1 299747743 DXMLESYGEUQQHY-GFCCVEGCSA-N 292.266 1.233 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)NCC2(O)CCCCC2)CC1=O 359248831 GZGAKCAGINJIOL-GFCCVEGCSA-N 296.411 1.445 0 50 CDAA O=c1[nH]c2cc(Br)c(F)cc2c(=O)o1 604221837 ZANVIFKNFPTSQL-UHFFFAOYSA-N 260.018 1.383 0 50 CDAA Cc1ccc(-c2cc3n(n2)[C@@H](NC2CC2)CNC3=O)cc1 263619225 XNKQXAATNIVPCG-OAHLLOKOSA-N 282.347 1.853 0 50 CDAA CNC(=O)CCC(=O)N[C@@H](CCN(C)C)c1ccccc1 534647955 BEKUGAAGCFFFRT-AWEZNQCLSA-N 291.395 1.322 0 50 CDAA CC(C)Oc1ccc2c(c1)C(=O)NC1(CCNCC1)O2 261494967 YLBZPEVIKKRAOX-UHFFFAOYSA-N 276.336 1.676 0 50 CDAA Cc1cc(NC(=O)CN2CC[C@H]3CC[C@@H](C2)N3C)no1 74996683 MEZWNLNXMGRPGO-NEPJUHHUSA-N 278.356 1.090 0 50 CDAA CC(=O)c1ccc(C(=O)Nc2cnn(CC(=O)O)c2)s1 299783873 RFJVDIAEROETDY-UHFFFAOYSA-N 293.304 1.484 0 50 CDAA Cc1cccc(OC2CN(C[C@H]3COCCO3)C2)c1 825222630 ASYYZWKKXVMXGX-HNNXBMFYSA-N 263.337 1.473 0 50 CDAA CC[C@H](C(=O)NCCc1ccc(O)cc1)N(C)CC 822555068 FRRPOAZJWIKXPW-CQSZACIVSA-N 264.369 1.781 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CCCn2cnnn2)cs1 584888229 YIUBSOUDMKUIOB-MRVPVSSYSA-N 280.357 1.096 0 50 CDAA Cc1cc(CN(C)C(=O)Cc2cccnc2)ccn1 584895109 YYXPGEVPKSCCMK-UHFFFAOYSA-N 255.321 1.986 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1ccc2nsnc2c1 670445487 JVTSKKBFWBMGBN-SNVBAGLBSA-N 277.349 1.734 0 50 CDAA Cc1cccc([C@H]2CC(=O)Nc3nc(N)nc(N)c32)c1F 670416132 OSZLBFJSPNCTCF-MRVPVSSYSA-N 287.298 1.563 0 50 CDAA C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cn1)c1cnn(C)c1 1544364150 YHMRHJKEUFZCGW-SNVBAGLBSA-N 296.334 1.696 0 50 CDAA Cc1cccc(N2CCC(NC(=O)[C@@H]3C=CCN3)CC2)c1 670452443 ZLHIIWGOPCQKCT-INIZCTEOSA-N 285.391 1.608 0 50 CDAA O=C(O)[C@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@@H]1C1CC1 1550375109 YTXNTIWOHVNHBP-MNOVXSKESA-N 297.742 1.106 0 50 CDAA COC(=O)N(Cc1noc(-c2cc(CF)on2)n1)C1CC1 1875291342 WEBWBTHWJMPDFJ-UHFFFAOYSA-N 296.258 1.925 0 50 CDAA Cc1nc(CNS(=O)(=O)C[C@@H]2C[C@H]2C(F)F)cs1 1875288601 OKGJVZGYRQGYSI-IONNQARKSA-N 296.364 1.772 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@@H]1OCc2ccccc21 1875377157 UMTQSCKUXGRPKX-GPAKFWEMSA-N 260.337 1.492 0 50 CDAA Cn1cc([C@@H]2N(C(=O)c3cn(C)c(O)n3)CC2(C)C)cn1 952892340 CYRGCNDMKMINQF-NSHDSACASA-N 289.339 1.083 0 50 CDAA C[C@H]1CCC[C@@H](Cn2nnnc2N2CCOCC2)C1 952876157 CXWFAHGJOQAMMI-NWDGAFQWSA-N 265.361 1.336 0 50 CDAA CN1C(=O)CCC12CCN(C(=O)[C@H]1CC1(C)C)CC2 952990504 WRYQBIHLGBCQML-LLVKDONJSA-N 264.369 1.646 0 50 CDAA O=C(Cc1ccc(F)cc1Cl)N1C[C@@H](O)[C@H](F)C1 952964995 FBJNFYHVGVPELC-GHMZBOCLSA-N 275.682 1.563 0 50 CDAA CCc1ncnc(N2CCN(c3cnccn3)CC2)c1F 270479028 AMMVPPLVXLNVRR-UHFFFAOYSA-N 288.330 1.295 0 50 CDAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)CCOc1ccccc1 1565525240 JZGDREJERWCIJN-STQMWFEESA-N 298.408 1.207 0 50 CDAA Cc1ncc(C(=O)NC[C@H]2CCc3nccn3C2)c(C)n1 275769931 BRLAFZFRCVEJNE-GFCCVEGCSA-N 285.351 1.282 0 50 CDAA CC[C@H](NC(=O)c1cnn(C(C)C)c1)[C@H](O)C(F)(F)F 276139310 CDXFWWTUSQSBJL-UWVGGRQHSA-N 293.289 1.896 0 50 CDAA O=C1C[C@H](N[C@@H]2CCSC2)CN1c1ccccc1 170040584 RZIWVEQJNJRDFR-NEPJUHHUSA-N 262.378 1.887 0 50 CDAA CCOc1ccc(CN2C(=O)N[C@@H](C)C2=O)cc1F 170068320 AKFJKMMXHBZFEK-QMMMGPOBSA-N 266.272 1.665 0 50 CDAA COC[C@H]1[C@H](Nc2ncc(Cl)cn2)[C@H]2CCO[C@H]21 1074608569 RGRXYQKJCSTNBP-LMLFDSFASA-N 269.732 1.592 0 50 CDAA CC(C)N(CC(N)=O)C[C@H]1[C@H](C(=O)OC(C)(C)C)C1(C)C 170601659 MPZJQKUQZWPKST-WCQYABFASA-N 298.427 1.796 0 50 CDAA COc1cccc(CN(CCN(C)C)C(C)=O)c1 170611648 VJQVUEVXPXQPLY-UHFFFAOYSA-N 250.342 1.605 0 50 CDAA CN1CCN(C(=O)c2ccc(N)cc2C(F)(F)F)CC1 90505049 MFOSAHLGQDMTAV-UHFFFAOYSA-N 287.285 1.675 0 50 CDAA in-vitro COc1cccc([C@@H](C(=O)O)N(C)Cc2nc(C)no2)c1 634693054 OYXUNCCTOROJDX-ZDUSSCGKSA-N 291.307 1.644 0 50 CDAA C[C@H]1CC(CCN2CC[C@H](S(N)(=O)=O)C2)C[C@H](C)C1 408088202 ICMPXHFMZJGHDC-BZPMIXESSA-N 288.457 1.812 0 50 CDAA CC[C@](NC(=O)c1coc(C)c1)(C(N)=O)C(C)C 189055985 WRQVDKCUDGGJAT-CYBMUJFWSA-N 252.314 1.608 0 50 CDAA Cc1cc(F)c(C(=O)O)cc1S(=O)(=O)N1CCCC1 585137967 FKZIWNAWGJJKFO-UHFFFAOYSA-N 287.312 1.617 0 50 CDAA C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CNC(=O)N1C 585132299 SOVLIUMXHLZOGN-LERXQTSPSA-N 287.363 1.450 0 50 CDAA O=C(NCCc1ccccn1)[C@@H]1CC[C@@H]2CCCCN21 585122385 ZCCFDUNEFGKILK-GJZGRUSLSA-N 273.380 1.757 0 50 CDAA CCCCN(CCCC)C(=O)CCCS(N)(=O)=O 408522004 BNSVAYPUCKYNLM-UHFFFAOYSA-N 278.418 1.484 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ncc(Cl)n1C 190074868 CMLYEFQHAZOTNC-ZJUUUORDSA-N 285.775 1.847 0 50 CDAA CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(F)cc1O 191656592 FOGHWBWRRMMPCG-QMMMGPOBSA-N 268.288 1.128 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccnc2ccnn12 191882383 FNDQICYFGXDTRD-UWVGGRQHSA-N 260.297 1.483 0 50 CDAA O=C(O)C[C@H]1CCCCN1S(=O)(=O)CCCF 646035990 ZSSYTGWITJAFAA-SECBINFHSA-N 267.322 1.005 0 50 CDAA O=C(CCNc1ncnc2[nH]ncc12)N1CCCCCC1 194848404 PVZPESHTMNAJIC-UHFFFAOYSA-N 288.355 1.558 0 50 CDAA O=C(Nc1cccc(Cn2cccn2)c1)N[C@H]1CCCNC1 666764361 BTFVDZLQMCPOGK-HNNXBMFYSA-N 299.378 1.805 0 50 CDAA Cc1nncn1CCN1CCC(C(F)(F)F)CC1 1506426889 UBQVYMIUKNRZFU-UHFFFAOYSA-N 262.279 1.861 0 50 CDAA Cc1nnc(SCC(=O)NCCc2ncc[nH]2)s1 1506423847 XKISEKFAORILRA-UHFFFAOYSA-N 283.382 1.021 0 50 CDAA Cc1ncc(C)c(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704343848 FYYHLHHWWQHLNR-GDBMZVCRSA-N 290.411 1.376 0 50 CDAA O=Cc1cnc2[nH]cc(I)c2c1 6643345 DLDQOJMZUSYGSE-UHFFFAOYSA-N 272.045 1.980 0 50 CDAA in-vitro O=S(=O)(NC[C@H]1CCCNC1)c1cccc(F)c1F 237806582 XGTFKBOKYIJXAW-VIFPVBQESA-N 290.335 1.243 0 50 CDAA C=CC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 1875366467 MAWUWGVUTNAGJZ-ZIAGYGMSSA-N 261.321 1.524 0 50 CDAA O=c1cc(CN2C[C@H](O)[C@@H](F)C2)[nH]c2ccc(Cl)cc12 1615696554 SFJHUDBHWCKIAT-FZMZJTMJSA-N 296.729 1.696 0 50 CDAA Oc1cc(CN2C[C@H](O)[C@@H](F)C2)nc2c(F)cccc12 1615697224 UNDCRUNSEGWMAP-AAEUAGOBSA-N 280.274 1.594 0 50 CDAA Cc1cc(C)c(CN2C[C@H](CO)[C@@H](CO)C2)c(C)c1CO 1615687790 GNHZUXYOHIYRPH-HUUCEWRRSA-N 293.407 1.137 0 50 CDAA NC(=O)c1cc(N2CCC3(CCOCC3)C2)ccn1 364222423 YBGSPFFEQKMIEY-UHFFFAOYSA-N 261.325 1.187 0 50 CDAA CCOCC(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775984121 HXXCMVADOJXBPC-AWEZNQCLSA-N 263.341 1.253 0 50 CDAA CCc1c(C)nn(Cc2nc(C)nn2-c2ccnn2C)c1C 1772806458 YMUWUAOSJZAQGL-UHFFFAOYSA-N 299.382 1.733 0 50 CDAA CCc1ocnc1C(=O)NC[C@@H](C)CN1CCCC1 265781483 KCHHGCLDQHSVMO-LLVKDONJSA-N 265.357 1.699 0 50 CDAA Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cn2)nc1 12462470 NHNVDBKBVDDBFE-UHFFFAOYSA-N 270.292 1.671 0 50 CDAA CC[C@H](C)NCc1ccc(OCC(N)=O)c(OC)c1 5907917 JMEHNMKTHHMAJV-JTQLQIEISA-N 266.341 1.447 0 50 CDAA CCN(CC)S(=O)(=O)c1csc(C(=O)O)c1 16623980 JINWNNOCTXFVFR-UHFFFAOYSA-N 263.340 1.477 0 50 CDAA Cn1ccc(NC(=O)Nc2ccc(-n3cnnn3)cc2)n1 153764729 WJBRAOIHRXMKGJ-UHFFFAOYSA-N 284.283 1.040 0 50 CDAA COc1ccc(NC(=O)N[C@@H]2CCOC2)c(OC)c1 159298144 OFLOEHOUWUXUGS-SECBINFHSA-N 266.297 1.614 0 50 CDAA O=C(c1cc2c(cn1)OCCC2)N1CC[C@H](n2cncn2)C1 1645694858 NFQNRPHUAYVZFX-LBPRGKRZSA-N 299.334 1.085 0 50 CDAA CN1C[C@@]2(CCN(c3cnc4ccccc4n3)C2)OC1=O 1857678961 OAAJRVJPHFOUIM-OAHLLOKOSA-N 284.319 1.661 0 50 CDAA Cc1nccc(NC(=O)N[C@H](C)C2CCOCC2)n1 408225087 RYMGCAIEQKEWHZ-SECBINFHSA-N 264.329 1.722 0 50 CDAA CCc1nc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)n[nH]1 225652496 MEMFFCPTPMYDFC-QWHCGFSZSA-N 290.342 1.814 0 50 CDAA C[C@H]1C[C@@H](C(=O)N(C)Cc2nc(=O)o[nH]2)CC(C)(C)C1 630030651 JYLKGKXZGWVSPR-VHSXEESVSA-N 281.356 1.784 0 50 CDAA CCN1CCN(C(=O)C2=CCCC2)C[C@H]1c1ncc[nH]1 328635768 VCAOWNJGSCNNBD-ZDUSSCGKSA-N 274.368 1.725 0 50 CDAA NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 6927442 JVNTYSRHYYSZEM-GFCCVEGCSA-N 262.309 1.521 0 50 CDAA in-vitro Cc1ccc(N2CCC(C(=O)N3CC[C@@H](N)C3)CC2)nc1 237874713 HCEAFNNCXQVNNP-CQSZACIVSA-N 288.395 1.166 0 50 CDAA CSc1cccc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c1 336261928 SVUKFHWYGMKLFP-YPMHNXCESA-N 281.377 1.224 0 50 CDAA COc1ccc(OC)c(C2=NO[C@@H](C(=O)O)C2)c1 12396794 TVKIPMFFMHSWBP-LLVKDONJSA-N 251.238 1.281 0 50 CDAA in-vitro Cc1noc(C)c1C[C@H](C)C(=O)N1CCCC[C@H]1C(=O)O 136535493 HCXPBHXJTJJOIT-ZANVPECISA-N 294.351 1.936 0 50 CDAA Nc1c(N2CCC3(CCC3)C2)ncnc1-n1cccn1 163581039 PFVSRBYBLJFBEL-UHFFFAOYSA-N 270.340 1.625 0 50 CDAA Cc1nccn1-c1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1 164546607 FUWDSANQYXFNCD-QWRGUYRKSA-N 272.352 1.705 0 50 CDAA CCc1noc(C(=O)N2CCc3ccccc3CC2)n1 902635946 QHAFHDQZJOGTAB-UHFFFAOYSA-N 271.320 1.873 0 50 CDAA CCn1cc(Br)c(C(=O)Nc2cn(C)nn2)n1 1775304251 DNAMBJFLXWNRGA-UHFFFAOYSA-N 299.132 1.046 0 50 CDAA O=C(C[C@H]1CCCC1(F)F)NCc1cc(O)nc(O)n1 823380654 QCGKAJIGZQEJLR-SSDOTTSWSA-N 287.266 1.330 0 50 CDAA CC(C)CN(C[C@H](O)CO)C[C@@H](O)c1ccc(F)cc1 929708648 ZMGQHFSYBJVMIW-LSDHHAIUSA-N 285.359 1.170 0 50 CDAA Cn1nncc1NC(=O)NCc1cccc2c1OCC2 931278190 WZZKBKLGFKWQRT-UHFFFAOYSA-N 273.296 1.072 0 50 CDAA Cc1nc(O)c2c(n1)CN(Cc1noc(C3CCC3)n1)C2 931312063 OYMTUQYWXFQEOZ-UHFFFAOYSA-N 287.323 1.657 0 50 CDAA COCc1cccc(C(=O)N2C[C@H](C)N[C@H](C)C2)c1 154181684 DONAKIKZIPTXQQ-TXEJJXNPSA-N 262.353 1.655 0 50 CDAA C[C@@H](NC(=O)c1cc2c(s1)CCOC2)C(=O)O 262100575 MWMDEQMRECBYHD-ZCFIWIBFSA-N 255.295 1.024 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)CC1CCC1 263528820 VLHDPSIQJYZZEM-MWLCHTKSSA-N 275.370 1.301 0 50 CDAA Cc1ccc(O)c(C(=O)N(C)Cc2noc(C)n2)c1 181009115 AVVXOUCDRSRVEL-UHFFFAOYSA-N 261.281 1.664 0 50 CDAA COc1ncc(Cl)c(N2CCC[C@@H](CO)CC2)n1 294101673 ORVHNQOMIGAFEB-SECBINFHSA-N 271.748 1.737 0 50 CDAA CC(C)[C@@H](CO)Nc1cc(N2CCCCC2)ncn1 65399266 IVLXWRNHVRFDNA-GFCCVEGCSA-N 264.373 1.896 0 50 CDAA NC[C@@H](NC(=O)c1ccc(C(=O)O)cn1)C1CCCC1 656852788 KMEJOTUTOJBHLP-GFCCVEGCSA-N 277.324 1.027 0 50 CDAA NS(=O)(=O)C1(CNc2ncc(Cl)cc2F)CCC1 721553017 RABYQHHEYCBPBX-UHFFFAOYSA-N 293.751 1.497 0 50 CDAA O=C(Nc1cncc2c1CCC2)C(F)(F)[C@H]1CCNC1 2325799436 YIWBWOHPJYDAFH-JTQLQIEISA-N 281.306 1.754 0 50 CDAA Cc1coc(C)c1/C=C/C(=O)N[C@H](c1nn[nH]n1)C1CC1 2325806893 MXWJFROTCFJBOL-GFUIURDCSA-N 287.323 1.690 0 50 CDAA CC(C)(O)[C@H]1Oc2c(ccc3c2CO[C@@](C)(O)C3)C1=O 2332918183 MNVJPXIUNYWXPR-DZGCQCFKSA-N 278.304 1.182 0 50 CDAA Cn1ccnc1SCC(=O)Nc1ccc(C(=O)O)cc1 40955 DBAMZNIFKHXJAW-UHFFFAOYSA-N 291.332 1.849 0 50 CDAA C[C@@H](Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1 213302 OUQNQUDWLHFERV-NSHDSACASA-N 264.344 1.954 0 50 CDAA O=C(O)c1ccc(O)c(I)c1 330968 BJZXBZGGLXHODK-UHFFFAOYSA-N 264.018 1.695 0 50 CDAA in-vitro Cc1nc(N2CCC[C@]3(CC2)CNC(=O)O3)nc(C)c1C 2356145139 CQBSSQFTGXAGEU-HNNXBMFYSA-N 290.367 1.871 0 50 CDAA COC[C@H](C)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C 343407115 VXYZTCZTOYZQJN-OBJOEFQTSA-N 267.373 1.919 0 50 CDAA Cc1cc(C)n(CC(=O)NCCc2ccccc2)c(=O)n1 4425952 MBDQWJNLYJXLEE-UHFFFAOYSA-N 285.347 1.219 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1c[nH]c2ccc(F)cc2c1=O 6088050 NVNHRHGQKQBMDL-JTQLQIEISA-N 290.294 1.576 0 50 CDAA CC(=O)N1CCC(C(=O)Nc2ncc(C)s2)CC1 6699404 UOAPESQADNTYKG-UHFFFAOYSA-N 267.354 1.649 0 50 CDAA Cc1nnc(SCC(=O)Nc2nncs2)n1C(C)C 6725495 QQIZLPZBAWBDSI-UHFFFAOYSA-N 298.397 1.750 0 50 CDAA CC(=O)N1CCC(C(=O)NCC2CCCCC2)CC1 6726935 MAXZMHOQJLBOOI-UHFFFAOYSA-N 266.385 1.941 0 50 CDAA O=C(CSc1ncn[nH]1)Nc1ccc(F)c(F)c1 9194167 UKQGHVFHTFOBQN-UHFFFAOYSA-N 270.264 1.814 0 50 CDAA CNC(=O)[C@@H](C)N[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 136479828 UGSKPQVQUBTFMY-FMKPAKJESA-N 289.423 1.621 0 50 CDAA Cc1ccc(CC(=O)NCCN2CCCC[C@@H]2CO)cc1 67540868 LUPXBIGULNWEFZ-MRXNPFEDSA-N 290.407 1.501 0 50 CDAA NC(=O)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66851329 UPVWIXIHFNTGSJ-LLVKDONJSA-N 289.162 1.852 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1cc2c(nc1O)CCCC2 862119060 IBYOIJPSFDFRAY-UHFFFAOYSA-N 289.335 1.249 0 50 CDAA C[C@H]1CNC(=O)CCN1Cc1ccccc1Cn1cccn1 67675596 FRCNIMOTGJYDQM-AWEZNQCLSA-N 298.390 1.642 0 50 CDAA O=C1CCCN1Cc1ccc(C(=O)N2CCOCC2)cc1 20456548 LLCISRFUDNUGNB-UHFFFAOYSA-N 288.347 1.281 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1cc(C(C)C)nc(N)n1 1506423160 CXERVYKWUNNREH-UHFFFAOYSA-N 288.355 1.486 0 50 CDAA COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1cnccn1 120050096 OPBINDSJLHKWKA-LBPRGKRZSA-N 299.330 1.681 0 50 CDAA CC(C)c1nc(Cn2cncn2)n(-c2ccccn2)n1 65501961 SRCFDRBXJPEEPC-UHFFFAOYSA-N 269.312 1.426 0 50 CDAA O=C(O)COc1ccc(-n2cc(CCO)cn2)cc1Cl 67803306 CXVSCBAMPWQMDC-UHFFFAOYSA-N 296.710 1.524 0 50 CDAA O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)CCCc1ccccc1 65394439 BEYMKDYGWFXOHX-UONOGXRCSA-N 291.347 1.446 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)NC2CCN(C)CC2)C1 173380584 FMQWZIQSEYNURU-CQSZACIVSA-N 282.432 1.206 0 50 CDAA CN1CC[C@@H](CN=c2ncc(F)c[nH]2)[C@@H]1c1cccnc1 328640555 XLIINHVJYRXAIX-JSGCOSHPSA-N 287.342 1.538 0 50 CDAA CCN(CC)CCN1C[C@H](OC)C[C@@H]1c1nc(C)no1 328614286 AFNGGDWWPXXZLG-CHWSQXEVSA-N 282.388 1.482 0 50 CDAA CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCN2)c1 35053849 KGKVWMGPJHKRBE-LBPRGKRZSA-N 261.325 1.127 0 50 CDAA O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCCN(c2ncccn2)CC1 218865655 SFOLKZQCLLYJQO-QLFBSQMISA-N 298.390 1.728 0 50 CDAA C1CCN(C2(CN=c3[nH]nc(C4CC4)o3)CCOCC2)C1 329418499 ZRYHHBGMOJZGAK-UHFFFAOYSA-N 292.383 1.426 0 50 CDAA O=C(Nc1nnc(C2CC2)s1)c1cnsn1 124673139 FEMLUNPTYBKYIJ-UHFFFAOYSA-N 253.312 1.519 0 50 CDAA Cc1ccncc1C(=O)N1CCC(c2nnc(O)o2)CC1 332479593 WBOLTNNMSSHQHQ-UHFFFAOYSA-N 288.307 1.498 0 50 CDAA Cc1nnc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cn12 153753404 ULMXIKZSCKJGKH-GFCCVEGCSA-N 288.351 1.725 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc(C)c(F)c1 219529000 JNTIIUIAGZKNHP-MXYBEHONSA-N 293.338 1.914 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)CSC(F)(F)F)C1 156215147 PUHOHNAGMSDDOL-JGVFFNPUSA-N 270.320 1.825 0 50 CDAA Cc1cccc(OCC(=O)N2CCOC[C@@H]2CC(=O)O)c1 129310815 DSZJPLUQBAPESW-LBPRGKRZSA-N 293.319 1.076 0 50 CDAA O=C(NCCCn1ccnn1)c1cnc2ccccc2n1 182949373 RJOQZDQABYCFLC-UHFFFAOYSA-N 282.307 1.041 0 50 CDAA O=S(=O)(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cccc2c1OCC2 333334614 AGRIOQJVQBCMCS-ZSBIGDGJSA-N 279.361 1.698 0 50 CDAA CCc1ncc(NC(=O)N[C@@H]2CCOC2(C)C)cn1 333510445 LXDAYHFSJRZLFM-SNVBAGLBSA-N 264.329 1.728 0 50 CDAA CC(C)N1CCC[C@H](NC(=O)CC[C@@H]2CCC(=O)N2)C1 333722587 RTYTVDSBMKKCMW-STQMWFEESA-N 281.400 1.034 0 50 CDAA Cc1nc(/C=C/C(=O)N2CCN[C@H](C)C2)cs1 237465639 WNNYDJSCTKSSMJ-CDAZIORVSA-N 251.355 1.285 0 50 CDAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccccn1)OC2=O 37867419 VEOWKUTXKZDQJG-CVEARBPZSA-N 288.347 1.820 0 50 CDAA CNCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 71750938 WGMQZGHFNTZMBX-CGTJXYLNSA-N 299.418 1.295 0 50 CDAA CC1=NN(CC(=O)N[C@H](C)c2nc(C(C)C)no2)CC1 71748823 JKXPEXDUXLGAMM-SNVBAGLBSA-N 279.344 1.452 0 50 CDAA CC1(C)C[C@@]1(C(=O)NCCOCCO)c1ccccc1F 215663399 FNTMFIPATRMIMN-INIZCTEOSA-N 295.354 1.619 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(C(C)C)on2)N(C)C1 284999096 LMLJHHQAPHRHQN-RYUDHWBXSA-N 295.383 1.589 0 50 CDAA CC(C)[C@H]1CN(c2ccnc(C(N)=O)c2)CCCO1 338847526 VNYOPUQCBJYQPW-CYBMUJFWSA-N 263.341 1.432 0 50 CDAA OC[C@H](O)CNc1nc(-c2ccccc2)cs1 133419641 MGGVGRURPAQYAN-SNVBAGLBSA-N 250.323 1.575 0 50 CDAA C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC[C@@H](N)C1 132304033 XGDIDYDXMMVPPZ-RKDXNWHRSA-N 270.279 1.292 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 457852462 DSXNQETVGRHXBU-FRRDWIJNSA-N 254.374 1.545 0 50 CDAA Cc1cc(F)cc(C(=O)NC2CCN(C)CC2)c1 175066627 LQRWQSYLSNILHK-UHFFFAOYSA-N 250.317 1.958 0 50 CDAA C[C@@H](CCNC(=O)CCc1cccnc1)n1ccnc1 223158273 KEQNQTUIPPCEOU-ZDUSSCGKSA-N 272.352 1.978 0 50 CDAA CCN1CCC[C@H](NC(=O)[C@@H]2CSCCS2)C1 177191338 WUNKRIFGCRCDNB-QWRGUYRKSA-N 274.455 1.436 0 50 CDAA Cn1cccc1CCC(=O)NC1(C(N)=O)CCCCCC1 426574657 CJSGLPODCYYTDR-UHFFFAOYSA-N 291.395 1.652 0 50 CDAA Cc1nnc(CNC(=O)c2ccc(C)n2C(F)F)o1 426658179 GHXRAMFGXQGWRX-UHFFFAOYSA-N 270.239 1.813 0 50 CDAA CC[C@H]1NCC[C@@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 289749184 WIUHWBDOTMQHMJ-WDEREUQCSA-N 289.335 1.344 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1F 222430981 TZUSAKDHNHPRTD-FVCCEPFGSA-N 291.278 1.096 0 50 CDAA Cc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)n1C(F)F 426423799 WBAOSYKZLMPPDW-VIFPVBQESA-N 273.283 1.431 0 50 CDAA CCc1nnc(NC(=O)NC2(CO)CCC2)s1 178081163 TYTCEOPWRFQUFG-UHFFFAOYSA-N 256.331 1.137 0 50 CDAA CCN(CC)CC1(NC(=O)[C@@H](C)n2ccnc2C)CC1 426511568 FEQUVORSKVQMEI-GFCCVEGCSA-N 278.400 1.743 0 50 CDAA CCOC(=O)c1cnn(-c2cc(F)cc(F)c2)c1N 84931271 DBUPNKAKTQONOB-UHFFFAOYSA-N 267.235 1.909 0 50 CDAA COc1ccnc(CN(C)C(=O)[C@H](C)n2ccnc2C)c1 426618039 AMOUMBYVDFUDDP-NSHDSACASA-N 288.351 1.815 0 50 CDAA CN(Cc1ccoc1)Cc1nnc([C@H]2C[C@H](N)C2)n1C 222560864 DASQGWOUTSJIGL-TXEJJXNPSA-N 275.356 1.245 0 50 CDAA CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ncnn2CC)n1 426407495 GIOZNGVJTYEOEK-QMMMGPOBSA-N 296.762 1.659 0 50 CDAA O=C(NCCN1CCCC1=O)c1cccc(-c2cnc[nH]2)c1 426734177 WUSRVDOIBUHKJX-UHFFFAOYSA-N 298.346 1.429 0 50 CDAA Cc1nc(CN2CCC[C@](CO)(CC3CC3)C2)n[nH]1 91616322 QPAZGJYTLRSLRH-AWEZNQCLSA-N 264.373 1.488 0 50 CDAA CCCn1ncc(C(=O)NCCCCC(=O)O)c1C 95511210 BJBZPBGGEHTPQL-UHFFFAOYSA-N 267.329 1.586 0 50 CDAA COCCN1CCC[C@H](c2n[nH]c(C3CCOCC3)n2)C1 97694609 FJKZAPYBQSTJGE-ZDUSSCGKSA-N 294.399 1.525 0 50 CDAA CC[C@@H](C(=O)N(C)Cc1cnc(NC)nc1)n1cccn1 91817790 WGGHCXOQTNMSBQ-LBPRGKRZSA-N 288.355 1.325 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2ccncn2)CC1 95093082 KQDGVJCIWVOYPX-UHFFFAOYSA-N 264.329 1.534 0 50 CDAA C[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)O)cc2)CCO1 237633869 QLZFTXNLACKHCG-ZPMKCOPCSA-N 275.304 1.645 0 50 CDAA COCCc1noc(-c2cnc(N(C)C)nc2C)n1 96160838 TWBCPJRDLDWMDG-UHFFFAOYSA-N 263.301 1.090 0 50 CDAA CC(C)n1ccc(C(=O)N(C)CC(C)(C)CO)n1 296185067 MBPLBOYANSGRFY-UHFFFAOYSA-N 253.346 1.555 0 50 CDAA CNC(=O)C[C@@H](C)N(C)Cc1cc(OC)ccn1 244852885 VBCOOGOAIBOXRL-SNVBAGLBSA-N 251.330 1.047 0 50 CDAA COc1nc(C)cc(C)c1CNC(=O)[C@H]1CC[C@@H](O)CC1 244652056 GYZSALHSJKGMTL-BETUJISGSA-N 292.379 1.874 0 50 CDAA CC[C@@H](NC(=O)c1c(C)n[nH]c1C1CC1)[C@H]1C[C@H](O)C1 244659817 HJGDSKFHWYVLDM-IJLUTSLNSA-N 277.368 1.875 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CCC(O)CC2)C1 249305489 JERNGNIEVLLHNX-XQQFMLRXSA-N 268.401 1.336 0 50 CDAA C[C@H](C(=O)NCc1ccccc1)N(C)Cc1cc[nH]n1 244691661 JGVLSUUUHNPCEW-GFCCVEGCSA-N 272.352 1.546 0 50 CDAA O=C(c1cccc2nccn12)N1CCC[C@H]1Cn1ccnn1 299739721 AHMKUVKRWBKBJS-LBPRGKRZSA-N 296.334 1.231 0 50 CDAA O=C(C[C@H]1CCCNCC1)NCc1ccc(CO)c(F)c1 299752966 WFWAMGJUFUNRKH-LBPRGKRZSA-N 294.370 1.714 0 50 CDAA COc1ccc(CNC(=O)C[C@@H]2CCCO2)cc1C(=O)O 299753031 WODHHAVPENPMKM-NSHDSACASA-N 293.319 1.579 0 50 CDAA OCC(F)(F)CNC1CCN(Cc2ccccn2)CC1 184686899 KJGPSKFPABQRPC-UHFFFAOYSA-N 285.338 1.263 0 50 CDAA Cc1cnn([C@H](C)CNC(=O)c2n[nH]c(C)c2Cl)c1 534590141 SNKCRXLZCPVLHI-MRVPVSSYSA-N 281.747 1.867 0 50 CDAA COCc1nc(C)c(CNC(=O)C[C@@H]2CCOC2)s1 534589117 JLCBKOJFDNMDLS-JTQLQIEISA-N 284.381 1.641 0 50 CDAA CCCOc1ccccc1[C@@H](C)NC(=O)N1CC(O)C1 534665445 GNASNIIKYQZXKZ-LLVKDONJSA-N 278.352 1.923 0 50 CDAA CCN1C(=O)N(CCC(C)C)C2(CCNCC2)C1=O 299767816 VJGCYLYWZYIRIO-UHFFFAOYSA-N 267.373 1.439 0 50 CDAA CC(C)(C(=O)NCCCC[C@H]1CCCO1)N1CCOCC1 827634909 FMSBBLVYUCIXTK-AWEZNQCLSA-N 298.427 1.563 0 50 CDAA O=C(CCCN1CCCC1)N1CCC[C@@H](O)CC1 584894598 XDOAFROVEDRZAH-CYBMUJFWSA-N 254.374 1.236 0 50 CDAA O=c1c2cccc(F)c2ncn1C[C@H]1CCCOC1 584896202 VTRGUCWEJFBMPY-SNVBAGLBSA-N 262.284 1.962 0 50 CDAA CSCC(=O)N1CCC2(CCC(=O)N(C)CC2)CC1 670457306 LGLWYEAETHBPPS-UHFFFAOYSA-N 284.425 1.601 0 50 CDAA CCCCc1ncc(CN2CC[C@@H](CC(=O)NC)C2)[nH]1 670433954 RJXQDZFHPNHXEN-LBPRGKRZSA-N 278.400 1.710 0 50 CDAA C=CC(=O)NCCn1cc(Cl)c(C(F)(F)F)n1 1875375642 GXQTYPZFVLGFKS-UHFFFAOYSA-N 267.638 1.858 0 50 CDAA CC1=CC[C@H](C(=O)NCCCc2nc(O)n[nH]2)CC1 1875315798 HZUYGFVEZOOJOG-JTQLQIEISA-N 264.329 1.306 0 50 CDAA Cc1cccc(CN(C)C(=O)CN2CCCCC2)n1 1875321461 JHKCCSQYDRGOCM-UHFFFAOYSA-N 261.369 1.834 0 50 CDAA COC(=O)/C=C/CCNC(=O)CCOc1ccccc1F 1875311564 FKOFLJLWVAUYPM-XBXARRHUSA-N 295.310 1.830 0 50 CDAA Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1F 1875300545 HSOYXESYHOQIME-UHFFFAOYSA-N 274.299 1.830 0 50 CDAA O=C(NCC[C@@H]1CCCCO1)[C@H]1NCC12CCCC2 888101496 CSBCTDAKKGAHOK-QWHCGFSZSA-N 266.385 1.594 0 50 CDAA CCOc1cc(C(=O)NCC[C@@H]2CCCO2)[nH]n1 1775988138 UWXRPOAJZBANCI-VIFPVBQESA-N 253.302 1.107 0 50 CDAA Cc1cc(C)c(NC(=O)N[C@H]2CCNC[C@@H]2O)c(Cl)c1 1565513686 ISLQRYGPSDNZPR-RYUDHWBXSA-N 297.786 1.801 0 50 CDAA COCCCN1C[C@H]2c3ccccc3OC[C@@]2(C(=O)O)C1 1565528698 UWBAVIGJSFEFGA-BBRMVZONSA-N 291.347 1.586 0 50 CDAA Cc1nnc(Cn2cnc(C3CCC3)cc2=O)s1 271461044 HKMMPFJRRZPVKM-UHFFFAOYSA-N 262.338 1.719 0 50 CDAA COCCN(C)S(=O)(=O)Nc1ccc2c(C)noc2c1 585119239 YQNPMFZJQXVZDV-UHFFFAOYSA-N 299.352 1.371 0 50 CDAA CCCCCOCC(=O)N[C@H]1COCCC1(OC)OC 585128025 PUPORQNSNZSFBH-LBPRGKRZSA-N 289.372 1.087 0 50 CDAA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)[C@H](C)C(F)F 585115759 RCNXOFIYMMVCGT-IMTBSYHQSA-N 296.339 1.795 0 50 CDAA COCCCC(=O)N[C@H]1CCO[C@@H]1c1cccnc1 275366473 KEDSSKQZBZMACX-GXTWGEPZSA-N 264.325 1.454 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N1CCc2ccnc(O)c2C1 276958827 CYYFQDAZBFIQIU-TZMCWYRMSA-N 290.363 1.877 0 50 CDAA O=C(CCc1cnccn1)NC1CCN(CC2CC2)CC1 279810867 FJHASGBDSFRMBC-UHFFFAOYSA-N 288.395 1.400 0 50 CDAA Cc1cn2ccc(C(=O)N[C@H](C)c3nnc(C)o3)cc2n1 635680536 JBKPQGRTDCAMTO-SECBINFHSA-N 285.307 1.825 0 50 CDAA CC(C)c1nnc(N(C)C[C@@H]2CCS(=O)(=O)C2)s1 408387968 AISDYSCMAXVGKK-VIFPVBQESA-N 289.426 1.532 0 50 CDAA CCCOCC(=O)N[C@H](COC(=N)O)Cc1ccccc1 408521548 YKMYURMGDQMZBE-ZDUSSCGKSA-N 294.351 1.650 0 50 CDAA Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)o1 561106827 WNXXCVNTGHCUDC-UHFFFAOYSA-N 261.281 1.786 0 50 CDAA O=C(NCCc1ccccn1)c1ccn(CC(F)F)n1 193674567 FQEBXBAVRXNCQR-UHFFFAOYSA-N 280.278 1.516 0 50 CDAA O[C@@H]1CC[C@@H]2CN(Cc3cccc4c[nH]nc34)C[C@@H]21 582751592 UABMMVKMQWFADM-KWCYVHTRSA-N 257.337 1.766 0 50 CDAA CSCC[C@H](N)C(=O)Nc1cc(C)ccc1NC(C)=O 1506415687 BJJBLOOGTPDLAZ-NSHDSACASA-N 295.408 1.972 0 50 CDAA COCc1cc(CN[C@@H]2CCN(c3ccccc3)C2)[nH]n1 1506427048 JZLFTJCVNKGWKF-CYBMUJFWSA-N 286.379 1.925 0 50 CDAA C=C=CCNS(=O)(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 1364867274 CQYVXSTTWUBPEV-VHSXEESVSA-N 299.314 1.747 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3c(C)n[nH]c3C)C[C@H]2O)on1 1529196475 AIXIIDUNZNFQNZ-IUODEOHRSA-N 290.367 1.358 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(F)C3)n[nH]c21 1857529610 MEQUAQYIAKKZIU-RQJHMYQMSA-N 253.277 1.226 0 50 CDAA N=c1[nH]nc(N2CCC[C@@H](c3cc[nH]n3)C2)s1 1857673244 QLOWVNZRMUVVTE-SSDOTTSWSA-N 250.331 1.058 0 50 CDAA Cc1nsnc1C(=O)NCCc1nccs1 1857685170 DLCQGOULHBEROM-UHFFFAOYSA-N 254.340 1.276 0 50 CDAA CN1C[C@@H](Cn2ccnc2-c2ccccn2)CC1=O 1875248692 HLWZEYANHKBWNY-NSHDSACASA-N 256.309 1.423 0 50 CDAA Cc1ccc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nn1 1704304454 FWGSQAIZEMJUEC-UKRRQHHQSA-N 276.384 1.068 0 50 CDAA CC[C@H](O)CNC(=O)Cc1c(F)cccc1Cl 125783803 ZZEWZRZBMZBNIA-QMMMGPOBSA-N 259.708 1.909 0 50 CDAA COc1cncc(C(=O)N2CC(C)(C)[C@H]2C(C)C)n1 332033584 WJHKQIFRAJVNGO-GFCCVEGCSA-N 263.341 1.992 0 50 CDAA Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)ccc1Cl 652793580 HMWNNKKWSZWIBK-AOOOYVTPSA-N 266.728 1.642 0 50 CDAA CN(C(=O)c1nn(C)c2ccccc2c1=O)C(C)(C)C 568751263 FEMCVWXXBQLHJF-UHFFFAOYSA-N 273.336 1.804 0 50 CDAA C[C@@H](C(=O)O)[C@](O)(Cn1cncn1)c1cc(F)ccc1F 144690116 JPGBTELGZZSFFQ-ISVAXAHUSA-N 297.261 1.165 0 50 CDAA in-vitro Cc1nn2c(c1O)CN(C(=O)OC(C)(C)C)CC2 1857783881 HXZCAVXDUDFDAR-UHFFFAOYSA-N 253.302 1.648 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NCc3cccc4c3CCNC4)C[C@@H]21 1615545278 GFADEYGLEGUTBT-NXNVCVFFSA-N 299.418 1.322 0 50 CDAA CCn1nncc1CNC(=O)[C@@H](CN)C1CCCCCC1 1615547084 NTVLUYJKWCLJFY-AWEZNQCLSA-N 293.415 1.460 0 50 CDAA COc1cc(-c2cnc3nonc3n2)cc2c1OCO2 1848444212 WPABPEOEPOCBJL-UHFFFAOYSA-N 272.220 1.417 0 50 CDAA Cc1nc(N)nc(N2C[C@H]3CCCN3C(=O)[C@H]2C)c1Cl 1772701141 CEJSTNYBEQVOHR-RKDXNWHRSA-N 295.774 1.220 0 50 CDAA CC(C)N1C[C@H](CN(C)Cc2ncc[nH]2)CCC1=O 1772811352 SMCTZKFDCNUPKV-LBPRGKRZSA-N 264.373 1.489 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H]2c2nccs2)nc(N)n1 20256507 NGXUPPYNWLFREE-JTQLQIEISA-N 289.364 1.801 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)c2onc3ncccc23)n[nH]1 1775981030 GSYPRFRRVHKKOI-QMMMGPOBSA-N 285.307 1.615 0 50 CDAA Cc1cccc(OC(=O)C[C@H]2CCS(=O)(=O)C2)c1 5418835 IHMAOHAIJGDKNZ-LLVKDONJSA-N 268.334 1.725 0 50 CDAA O=C(O)CCNC(=O)N1CCn2c1nc1ccccc12 5452339 FLYQXUNGQVFIEJ-UHFFFAOYSA-N 274.280 1.041 0 50 CDAA COc1ccc(C[C@@H](C(=O)O)[C@H](C)C(=O)O)cc1 5368325 NPRHTWLQMBOOEJ-GZMMTYOYSA-N 252.266 1.659 0 50 CDAA biogenic C[C@]1(NC(=O)Nc2ccccc2)CCS(=O)(=O)C1 5123731 AYHGJAMGGHONRP-LBPRGKRZSA-N 268.338 1.385 0 50 CDAA COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 15442255 ABVSNZKOIMDOKW-RXMQYKEDSA-N 257.208 1.615 0 50 CDAA CC[C@H](C)NC(=O)c1cnc2sc(C)c(C)n2c1=O 16649663 KZSHDADDGKUPSS-ZETCQYMHSA-N 279.365 1.901 0 50 CDAA O=C(CN1CCOCC1)NC12CC3CC(CC(C3)C1)C2 19607230 QLTPSWBYKPZUFW-UHFFFAOYSA-N 278.396 1.404 0 50 CDAA CC(C)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 19861936 UYZMSJRQDRJNCC-UHFFFAOYSA-N 291.395 1.952 0 50 CDAA Cc1ccc(NC(=S)N2CCN(CCO)CC2)c(C)c1 19955943 OZRHTJVAAUUKMA-UHFFFAOYSA-N 293.436 1.610 0 50 CDAA COC1(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 169804471 YNDXBJFQQFULDY-UHFFFAOYSA-N 284.356 1.245 0 50 CDAA CCCc1ccc(C(=O)N2CC3(CNC(=O)N3)C2)cc1 1857681701 CJVUSGQIRAIAAZ-UHFFFAOYSA-N 273.336 1.147 0 50 CDAA CCCn1nc(-c2nc(-c3ncc(C)cn3)no2)ccc1=O 225597849 LBSIBRYKGKWNOT-UHFFFAOYSA-N 298.306 1.469 0 50 CDAA O=C1CC[C@@](NC(=O)OCc2ccccc2)(C(=O)O)O1 77589 AYCUKPVNIHDFNH-ZDUSSCGKSA-N 279.248 1.031 0 50 CDAA in-vitro COc1ccc(O)cc1C(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 408439558 SKUJNZWIRQGPNU-DDHJSBNISA-N 289.331 1.650 0 50 CDAA O=C(NC[C@H]1CCOC1)N[C@@H]1CCN(c2ccccc2)C1 110580350 PSMGSUNXZOOHNY-ZIAGYGMSSA-N 289.379 1.601 0 50 CDAA CC(C)C[C@H]1COCCN1C(=O)c1cc(O)cc(O)n1 620631633 ZPKLREIEAXOIKR-JTQLQIEISA-N 280.324 1.380 0 50 CDAA CCCc1cc(N2CCNC(C)(C)C2)n2ncnc2n1 520379122 BJUIISMHRAKBJN-UHFFFAOYSA-N 274.372 1.265 0 50 CDAA Cc1ccc(NC(=O)c2nnc(O)c3ccccc23)c(O)n1 543604953 HHGMBORRCDXTHI-UHFFFAOYSA-N 296.286 1.997 0 50 CDAA CC(C)CNC(=O)c1cn([C@@H]2CCCN(C(C)C)C2)nn1 11910657 SEVFQWFGZXEKEA-CYBMUJFWSA-N 293.415 1.709 0 50 CDAA CNC(=O)Cc1noc(CCc2cccc(OC)c2F)n1 253417232 RESJKFLVQNNJQJ-UHFFFAOYSA-N 293.298 1.291 0 50 CDAA Cc1ccc(O)cc1C(=O)N[C@H]1CCC[C@@H]1N(C)C 1565506393 FSPBJNZFNCJBNY-KBPBESRZSA-N 262.353 1.913 0 50 CDAA O=S(=O)(Nc1ncccc1F)c1cnn(C2CCC2)c1 903619734 OFCLVHCTORTXPF-UHFFFAOYSA-N 296.327 1.943 0 50 CDAA Cc1ncc(CN2CCC(c3nc(O)n[nH]3)CC2)o1 930283513 IKNJAQQKLYSTIQ-UHFFFAOYSA-N 263.301 1.186 0 50 CDAA O=C(c1cncc(F)c1)N1CCC[C@H](C2(O)CC2)C1 1772816652 YOZVJITWJJKBJP-NSHDSACASA-N 264.300 1.598 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)cc1 111713144 DQMSATPTOWMMNV-VXGBXAGGSA-N 298.408 1.443 0 50 CDAA OCc1csc(CNc2ncc(Cl)cn2)n1 225713138 NFVJQQQPXBJNMY-UHFFFAOYSA-N 256.718 1.691 0 50 CDAA CSCc1ccc(C(=O)N2CCNC[C@H]2C)cc1 124827981 WECARQCEWDGBOL-LLVKDONJSA-N 264.394 1.984 0 50 CDAA CCN(CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2N)C1 236900995 XATJOCDLWKDGDC-MJBXVCDLSA-N 267.417 1.304 0 50 CDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC(F)(F)CN1 263203191 JIUMPVWVDFTNTK-MMWGEVLESA-N 286.322 1.057 0 50 CDAA CSC[C@H](NC(=O)c1cc(C)oc1C)C(=O)O 426662442 PMNPFCINNJECBT-VIFPVBQESA-N 257.311 1.442 0 50 CDAA COc1ccc(CCNC(=O)CCc2cn[nH]c2)cc1 629943485 NIJMDMRGLUZQEI-UHFFFAOYSA-N 273.336 1.710 0 50 CDAA C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cn(C)cn1 630186133 YKSXHEIKMPAZBJ-NSHDSACASA-N 287.319 1.536 0 50 CDAA CN(Cc1ncon1)Cc1nc2ccccc2n1C 670462916 KNWNPFRHWNBXBE-UHFFFAOYSA-N 257.297 1.588 0 50 CDAA CCCCc1noc(CN2CCC[C@@](F)(CO)C2)n1 368625736 RJERSINLQGKXFX-ZDUSSCGKSA-N 271.336 1.709 0 50 CDAA CC1(C)CC(=O)NCCN1Cc1noc2c1CCCC2 931203122 RGUJEQHRNPTKGP-UHFFFAOYSA-N 277.368 1.654 0 50 CDAA O=S(=O)(c1ccc(C2CC2)cc1)N1CCNCC1 420399878 CHTODVRJJLDVCQ-UHFFFAOYSA-N 266.366 1.158 0 50 CDAA O=C(O)c1cccc(CN2CCO[C@H]([C@H]3CCOC3)C2)c1 2325777531 JHAPYSNDACMDPQ-GJZGRUSLSA-N 291.347 1.622 0 50 CDAA CC1(c2cc(C(=O)N3CC[C@]4(C[C@@H]4C(=O)O)C3)no2)CC1 2325812706 AHGNGQCKWIUCGC-PSLIRLAXSA-N 290.319 1.663 0 50 CDAA Cc1nn(C)c(=O)c(C(=O)N2C[C@H](C)S[C@H](C)C2)c1C 119654784 QYORBTWCUMUHCW-DTORHVGOSA-N 295.408 1.363 0 50 CDAA CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N 145343259 HWBQJXRREBQWDK-VHSXEESVSA-N 272.345 1.134 0 50 CDAA COc1cc(OC)cc(C(=O)N2CCOCC2)c1 210750 ZDNBIFYHQHIYOU-UHFFFAOYSA-N 251.282 1.176 0 50 CDAA CNC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 306115 YKJWQLSYTFYXRU-LLVKDONJSA-N 279.727 1.714 0 50 CDAA C[C@H](O)C(CCCO)(CCCO)c1ccccc1 2167209 WBKFIDCJMNJSAN-ZDUSSCGKSA-N 252.354 1.850 0 50 CDAA CCc1nnc(CN2CCC[C@@H](CN3CCOCC3)C2)o1 112200857 HZDOEQZWFOHTCS-ZDUSSCGKSA-N 294.399 1.176 0 50 CDAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2csnn2)c1 55088952 WOSFJFHHXJCTJH-JTQLQIEISA-N 276.365 1.945 0 50 CDAA Cc1nc2[nH]c(C)c(Cc3ccccc3)c(=O)n2n1 100128932 MYQCSZRUGMOBJM-UHFFFAOYSA-N 254.293 1.625 0 50 CDAA C[C@H](NC(=O)[C@H]1Cc2ccccc2C(=O)O1)[C@H]1CCCO1 248260206 QDHKCXXPWKZNTF-ZLKJLUDKSA-N 289.331 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259.313 1.442 0 50 CDAA CCc1ccccc1OCCN1C[C@@H](O)[C@H](F)C1 1506399849 QXZKRVWHWHLEIE-CHWSQXEVSA-N 253.317 1.642 0 50 CDAA CN1CCC[C@]2(CCCN(CCc3nccn3C)C2)C1 1506424941 NEJCCXODTFQTLE-INIZCTEOSA-N 276.428 1.770 0 50 CDAA COc1ccc(/C=C(/NC(=O)c2ccco2)C(N)=O)cc1 264782 ZYCKIOXJSDRQAH-FMIVXFBMSA-N 286.287 1.544 0 50 CDAA CN(c1ccc(Br)cn1)c1nnnn1C 218454057 IQFWMZPKKXTNEM-UHFFFAOYSA-N 269.106 1.136 0 50 CDAA in-vitro CCc1cnc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)s1 224739476 ZQCJCJOOTUJNPN-HTQZYQBOSA-N 254.311 1.042 0 50 CDAA CCc1ccccc1S(=O)(=O)N1CCCN(C=O)CC1 521396764 MMKJYOHOAYJATI-UHFFFAOYSA-N 296.392 1.102 0 50 CDAA COc1cccc(F)c1CN(CCO)Cc1[nH]cnc1C 1704311435 JMVBSOMUDTUFSM-UHFFFAOYSA-N 293.342 1.860 0 50 CDAA C[C@]1(O)CCOC2(CCN(CCN3CCCC3=O)CC2)C1 1704338980 MGOORHWFWQFXQW-HNNXBMFYSA-N 296.411 1.005 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)c1nsnc1C)C2 1857671416 WWDSKDSWRCMQCL-UHFFFAOYSA-N 260.322 1.706 0 50 CDAA CNC[C@@H]1CCCN1S(=O)(=O)Cc1cccc(F)c1 237155269 AGEUHFBXQRKJSP-ZDUSSCGKSA-N 286.372 1.339 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccccc1Cl 131796790 QIXNJDJTQKPECO-ZJUUUORDSA-N 288.800 1.840 0 50 CDAA CCN(CC)CCCn1cc([C@H](O)C2CC2)nn1 1615541475 NUHUGIFSQHPZFD-CYBMUJFWSA-N 252.362 1.453 0 50 CDAA CON(C)C(=O)CCN1C[C@H]2C[C@H](N(C)C)CC[C@H]2C1 1615571910 QFJSFQRTWCIRQR-BFHYXJOUSA-N 283.416 1.058 0 50 CDAA CSCC(=O)N1C[C@H](C(=O)O)c2ccccc21 133851054 OOOOULCZKNKBSO-VIFPVBQESA-N 251.307 1.564 0 50 CDAA c1ccc(N2CCN(c3ncnc4[nH]cnc34)CC2)cc1 5687421 JHIWJXNUTCUPEF-UHFFFAOYSA-N 280.335 1.680 0 50 CDAA NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3 5214269 LALYXXRPKZOIBG-UHFFFAOYSA-N 273.288 1.536 0 50 CDAA O=[S@@](C[C@H](O)COCc1ccccc1)c1ccccn1 5593878 VDTYPVQPEWFVFB-JLTOFOAXSA-N 291.372 1.767 0 50 CDAA CCc1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1 19960309 UKMNQHMVCBVBNY-UHFFFAOYSA-N 291.314 1.991 0 50 CDAA C[C@H]1CN2C[C@H](NC(=O)c3c[nH]c4ccccc34)C[C@H]2CO1 1857720599 BBLAZRMUWMMICG-XQQFMLRXSA-N 299.374 1.759 0 50 CDAA COc1cnc(C)cc1C(=O)NCc1c(C)noc1C 1875248476 SMSMLPYRYWCMQQ-UHFFFAOYSA-N 275.308 1.933 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(-c3cccnc3)n2CC1 601043631 GBNSCNOCOXITFI-SNVBAGLBSA-N 272.308 1.466 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CCS(C)(=O)=O 332423051 SVMKMNPUMMLYFS-LLVKDONJSA-N 299.396 1.125 0 50 CDAA COCC[C@H](NC(=O)N[C@H]1CCCCNC1=O)C(C)(C)C 241466021 NTYYCFXJJGFSAY-RYUDHWBXSA-N 299.415 1.406 0 50 CDAA Cc1noc(C)c1CN1C[C@H](C(=O)O)[C@@H](C2CC2)C1 251977221 DTSQEAXJUNOCDR-OLZOCXBDSA-N 264.325 1.834 0 50 CDAA Cc1nn(C(C)C)cc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)C2 568234441 PEKHBRLPCABBFE-LOWVWBTDSA-N 291.351 1.850 0 50 CDAA C[C@](O)(CN1CCO[C@@H](c2cccc(Cl)c2)C1)C(=O)O 568638511 ADQJZLWPBYJVJJ-OCCSQVGLSA-N 299.754 1.549 0 50 CDAA CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)O)nn2)CC1 32919557 SFMQXOOIHUKDLZ-UHFFFAOYSA-N 296.327 1.548 0 50 CDAA in-vitro Cc1ncc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c(C)n1 263247987 IJOKMGKAYHWVIU-CQSZACIVSA-N 299.330 1.519 0 50 CDAA CC(C)[C@@H](c1nc(-c2cncn2C)no1)N1CCCC1=O 901988258 SNSDDBNTPRECHL-LBPRGKRZSA-N 289.339 1.790 0 50 CDAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)[C@H]2C[C@H]21 907856616 ZQAWEAYSZQNSDB-QPJYJQDJSA-N 275.348 1.504 0 50 CDAA CCS(=O)(=O)CCNC(=O)c1ccc(C)c2c1CCC2 823055459 LDOBIMWIWPYENQ-UHFFFAOYSA-N 295.404 1.648 0 50 CDAA Cn1cc(Cl)c(C(=O)N2CCC[C@H]2C2(O)CC2)n1 1772810476 IKEZVUMRUXHUPD-VIFPVBQESA-N 269.732 1.203 0 50 CDAA Cc1ccc([C@@H](NC[C@@H](O)CO)c2ccccn2)cc1 930278086 DAZHVDVDJKRMNP-GDBMZVCRSA-N 272.348 1.422 0 50 CDAA OC[C@H](O)CN1CCC(CCc2ccc(F)cc2F)CC1 930885044 AWSVOEGAAGGEHP-OAHLLOKOSA-N 299.361 1.963 0 50 CDAA CCc1nc(O)c(C(=O)N(C)CCn2cccn2)cc1C 932521732 MNNLSUQYTIVVBS-UHFFFAOYSA-N 288.351 1.627 0 50 CDAA O[C@@H](Cc1cn(C2CCOCC2)nn1)c1ccccc1 849140208 MNXCHHWYKMLCCU-HNNXBMFYSA-N 273.336 1.906 0 50 CDAA CSCC[C@H](O)C(=O)NCc1cnc(C)cc1C 222695106 JOVDUCJDSIMSNS-LBPRGKRZSA-N 268.382 1.429 0 50 CDAA C[C@@H]1OCC[C@@]1(O)CNC(=O)CCCc1ccccc1 225723273 QPFLBFOSYOGWBR-XJKSGUPXSA-N 277.364 1.665 0 50 CDAA Cc1cnc([C@@H](C)Nc2ncnc3c2cnn3C)o1 226546896 OLIBBZOLNRNBJO-MRVPVSSYSA-N 258.285 1.833 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)CN1CCCOc1ccc(F)cc1 228610207 ASPOITBVQPDTNO-YPMHNXCESA-N 283.299 1.114 0 50 CDAA CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccncc1 228888145 ILLCPZQDENVRRH-LALPHHSUSA-N 275.352 1.553 0 50 CDAA COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 4839646 DESMFPYSLKCSOF-UHFFFAOYSA-N 283.349 1.566 0 50 CDAA O[C@@H](COc1ccccc1)CN1CCOC[C@H]1C1CC1 270861948 IISCDXMINUYBTH-ZBFHGGJFSA-N 277.364 1.537 0 50 CDAA CCc1ncnc(N[C@@H]2CCCC[C@H]2C(N)=O)c1F 270920440 AMQQPSJXNIHLPW-PSASIEDQSA-N 266.320 1.634 0 50 CDAA CO[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 154282326 IXPHFHJAAPGCIM-LSDHHAIUSA-N 274.364 1.338 0 50 CDAA CCc1ccnc(C(=O)N(C2CC2)[C@@H](C)C(=O)O)c1 263553114 MIUNFSXLOCNAMS-VIFPVBQESA-N 262.309 1.722 0 50 CDAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccncc2O)C1 162791357 BGOHHQSCSHXVDU-SNVBAGLBSA-N 278.308 1.504 0 50 CDAA CC[C@H](C)[C@H](NC(=O)c1cc(C)nc(C)n1)C(=O)O 82245115 ORMIXNJHFSXAHH-CPCISQLKSA-N 265.313 1.323 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@@H](CO)CC2)c(O)n1 332253818 YSQNETODCPHTTJ-LLVKDONJSA-N 264.325 1.330 0 50 CDAA Cc1c(NS(=O)(=O)N(C)C)ccc(C(=O)O)c1C 901732147 NAXKSLQZAIGSSD-UHFFFAOYSA-N 272.326 1.220 0 50 CDAA CN(C)Cc1ccc(C(N)=O)cc1NCc1ncco1 2325777520 IRSWSUSTODXQTP-UHFFFAOYSA-N 274.324 1.447 0 50 CDAA COCC(C)(C)c1noc(-c2cnc(O)n2C)n1 952876184 FBLOWDIOPZWPKX-UHFFFAOYSA-N 252.274 1.100 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F 238326302 YUFJCQYJBJXLJH-DTWKUNHWSA-N 261.293 1.755 0 50 CDAA O=C1CCCCC[C@H]1[C@@]1(O)C(=O)Nc2ccccc21 42018 WRDAYOGORAQJTA-IAQYHMDHSA-N 259.305 1.976 0 50 CDAA aggregator COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(F)c1 67466 ODQMJZXGLCEQHG-NSHDSACASA-N 264.256 1.627 0 50 CDAA CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O 186516 FLJPDKBVKGRHQC-NSHDSACASA-N 271.338 1.464 0 50 CDAA CC(=O)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O 194368 MCGDILBNDMXNQR-SECBINFHSA-N 271.276 1.941 0 50 CDAA CC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O 456321 FTMCEUVHVKZKJJ-SECBINFHSA-N 260.293 1.197 0 50 CDAA CCc1ccc(NC(=O)C[C@H]2OCCN(CC)C2=O)cc1 2437282 PTLDNXFMAAUODH-CQSZACIVSA-N 290.363 1.825 0 50 CDAA COc1cc(C)ccc1OCCCON1C(=O)CCC1=O 2868222 GDPDCRQSXDMQBV-UHFFFAOYSA-N 293.319 1.853 0 50 CDAA Cc1ccc(CNC(=O)C(=O)N2CCCCC2)cc1 2961289 REUJUCCKFWAFLW-UHFFFAOYSA-N 260.337 1.624 0 50 CDAA CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 4838293 ZYYIVBUZZJJSDG-SNVBAGLBSA-N 292.360 1.253 0 50 CDAA COc1ccc(CN2CCC[C@H](O)C2)c(OC)c1C 4977595 WGPVDNSATDVAPK-ZDUSSCGKSA-N 265.353 1.969 0 50 CDAA CCCN1CCC(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)CC1 6741761 ZNMRQHDNTSWWQS-UONOGXRCSA-N 294.395 1.644 0 50 CDAA CCOC(=O)c1ccc(Nc2nncc(O)n2)cc1 8997580 AQIBHIFUSWQBDI-UHFFFAOYSA-N 260.253 1.498 0 50 CDAA CCN(Cc1nc(COC)no1)C(=O)c1ccoc1C 55403186 GNUITMLWGPQORT-UHFFFAOYSA-N 279.296 1.780 0 50 CDAA CCc1cnccc1C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 347768540 HGARAXWDYSTVCC-CABCVRRESA-N 289.379 1.189 0 50 CDAA O=C1C(=O)N(CCc2ccccc2)[C@H]2C=CC=C[C@@H]12 22184786 QKBWRAHZDHESIC-KGLIPLIRSA-N 253.301 1.751 0 50 CDAA C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)[C@@H]1CCCO1 31903340 ZQMPDDILPJSGAQ-MFKMUULPSA-N 274.320 1.929 0 50 CDAA COc1ccc([C@@H](O)CNc2ccc3nc(C)nn3n2)cc1 252484096 FOSVQUXSKLEIGX-ZDUSSCGKSA-N 299.334 1.587 0 50 CDAA COc1cccc2c1OC[C@H](C(=O)N1CCSCC1)C2 76202573 PLUBXNPAWGXTFF-GFCCVEGCSA-N 293.388 1.822 0 50 CDAA CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)c(C)c1 20028139 MGNMHPDQKXHOGK-UHFFFAOYSA-N 291.351 1.224 0 50 CDAA CCCc1cc(N2CC[C@H](CN)C2)n2nccc2n1 72409134 BLRQQTJIBPYHNT-LLVKDONJSA-N 259.357 1.467 0 50 CDAA Cc1ccc(NC(=O)N(C)CCN2CCOCC2)c(C)n1 152252256 MGWNQQZKOSOEPH-UHFFFAOYSA-N 292.383 1.494 0 50 CDAA C[C@@H](c1nnnn1C1CC1)N1CCOC[C@@H](C2CCC2)C1 330278116 PFCBWNNPZASHKN-AAEUAGOBSA-N 291.399 1.818 0 50 CDAA O=C(N[C@H]1CCNC[C@@H]1F)OCc1ccccc1 79032946 DWPWWTIOOLQURY-RYUDHWBXSA-N 252.289 1.613 0 50 CDAA CCC[C@H]1COCCN1C(=O)Cn1ccnc1CC 71747284 QEOVYFVUWVKOHV-LBPRGKRZSA-N 265.357 1.473 0 50 CDAA C[C@@H]1COCCN1C(=O)c1snc(O)c1Cl 283034440 RJDNZQRGWPYJKA-RXMQYKEDSA-N 262.718 1.363 0 50 CDAA CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C2CC2)CC1 328694898 CZGDPMLESCQHDL-AGIUHOORSA-N 285.409 1.458 0 50 CDAA OCc1cn([C@@H]2CCCC[C@@H]2NCc2ccon2)nn1 328602348 BGJSEADWHFUGLP-QWHCGFSZSA-N 277.328 1.032 0 50 CDAA CCO[C@@H](C)C(=O)Nc1ccc(C(=O)O)c(OC)c1 262874734 GJPUDSNPEAQZSG-QMMMGPOBSA-N 267.281 1.757 0 50 CDAA Cc1noc([C@H]2CCN(Cc3ncnn3CC(C)C)C2)n1 331617972 QTRWIRTYZHXJAX-LBPRGKRZSA-N 290.371 1.615 0 50 CDAA Cc1nnc(SC[C@H](C)CC(C)C)n1CC(N)=O 239637067 BIRCVDVTKSKODG-SECBINFHSA-N 270.402 1.846 0 50 CDAA Cc1cc(N2CCN(Cc3nccn3C)CC2)cc(C)n1 72448219 IDSQQTMRHFQNPO-UHFFFAOYSA-N 285.395 1.754 0 50 CDAA CC(C)(C(=O)N1CCN(CC(=N)O)CC1)C1CC1 331903483 CDLLPOJLJFLLQI-UHFFFAOYSA-N 253.346 1.102 0 50 CDAA O=C(NC[C@H]1CCCN(c2ccccn2)C1)c1cn[nH]c1 216086362 CGKQZBURIWDPMK-GFCCVEGCSA-N 285.351 1.451 0 50 CDAA Cc1[nH]cnc1CN1CCC[C@@](O)(CN2CCCC2)C1 77505879 VYZKZZACHREVBV-OAHLLOKOSA-N 278.400 1.141 0 50 CDAA CCc1ccc([C@@H]2COCCN2C(=O)[C@@H]2C[C@@H]2C(=O)O)o1 262439399 UHHZEFPJWVILCC-WOPDTQHZSA-N 293.319 1.463 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCC(c3ncn[nH]3)CC2)o1 216176232 IGSHDNLTXNAJJH-UHFFFAOYSA-N 288.307 1.086 0 50 CDAA CNCCNC(=O)c1ccc(Br)cc1OC 132613244 BZPDNCCDQTUYPG-UHFFFAOYSA-N 287.157 1.407 0 50 CDAA N[C@@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1 70458575 FNVPVFCDGNSYPZ-CYBMUJFWSA-N 279.347 1.934 0 50 CDAA COc1ccc([C@@H](C)NC(=O)c2n[nH]nc2C)cc1F 188461910 HAZJPEFRPMHPFG-SSDOTTSWSA-N 278.287 1.752 0 50 CDAA CC(C)c1nccn1CCCNC(=O)C1(N)CC1 71761978 MDDZXMRFSCDFRQ-UHFFFAOYSA-N 250.346 1.004 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)[C@@](C)(O)C2CC2)cc1 286310007 NHDMLZADVTUNBE-INIZCTEOSA-N 290.363 1.166 0 50 CDAA CC1=C[C@@H](C)CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 336552135 NXIYZOJQZNHSEI-PWSUYJOCSA-N 265.357 1.202 0 50 CDAA CCc1cc(C(=O)NCCc2nnc(C)s2)ccn1 221320518 BXWGDIFFGINPHI-UHFFFAOYSA-N 276.365 1.776 0 50 CDAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 226627425 PGTZBVJFJKAZSJ-XJIUQZFPSA-N 297.310 1.722 0 50 CDAA Cc1nnc(N2C[C@H](O)C[C@H]2c2ccc(F)cc2)o1 343222199 JUUASOWCHLFZAT-NEPJUHHUSA-N 263.272 1.829 0 50 CDAA O=C(O)CCC(=O)NC[C@@H]1CCCN2CCCC[C@H]12 426546271 WKMOHGGEZIJHIR-NWDGAFQWSA-N 268.357 1.232 0 50 CDAA O=C(NCCc1ccccn1)N[C@H]1CC12CCNCC2 612957942 FKJQBZLQNGGXQF-ZDUSSCGKSA-N 274.368 1.065 0 50 CDAA CCCc1occc1C(=O)N1CCOC[C@@H]1CC(=O)O 263524391 JBXIYKYMDQROJU-JTQLQIEISA-N 281.308 1.548 0 50 CDAA CCC[C@@H](NC(=O)c1ncccc1O)c1nccn1C 220358130 AHPNNYADLSEJBJ-SNVBAGLBSA-N 274.324 1.792 0 50 CDAA COC[C@H]1[C@@H](NC(=O)c2cccc(C)c2)[C@@H]2CCO[C@@H]21 220730652 SPEHTAJQZCMSPM-AJNGGQMLSA-N 275.348 1.775 0 50 CDAA CCc1c(C(=O)N[C@H](C)c2nc(=N)[nH][nH]2)[nH]c2ccccc12 426475574 TXRNADOJQPJTCK-MRVPVSSYSA-N 298.350 1.752 0 50 CDAA CC(C)(C(=O)NCc1csc(=N)[nH]1)N1CCCC1 426486162 MZOCTEFOLVXJNP-UHFFFAOYSA-N 268.386 1.046 0 50 CDAA c1nc([C@H]2CCOC2)cc(N2CCSCC2)n1 426425097 AWEFRGRFERSKCX-JTQLQIEISA-N 251.355 1.534 0 50 CDAA CN(CC(=O)NCCCc1ccccn1)Cc1cccnc1 221304545 NWZJDZOPJUNSPB-UHFFFAOYSA-N 298.390 1.657 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2cc(=O)cc(C)[nH]2)C1 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Cc1ccc(CS(=O)(=O)[C@@H](C)c2nnnn2C)cc1C 188940915 AIYNFBLJMASCMY-NSHDSACASA-N 294.380 1.503 0 50 CDAA c1ccc([C@H]2C[C@H]2N2CCO[C@H](Cn3ccnn3)C2)cc1 639854505 HCMOSIXKYFRVGK-ARFHVFGLSA-N 284.363 1.535 0 50 CDAA Cc1ccc(-c2cn(CCN3CCOCC3)nn2)cc1 641033246 LIMQIMCDYYPJHP-UHFFFAOYSA-N 272.352 1.586 0 50 CDAA Cc1cccc2sc(NC(=O)[C@]3(O)CCOC3)nc12 413073090 HKEVRLLEGSUZDY-ZDUSSCGKSA-N 278.333 1.695 0 50 CDAA COc1cnc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)nc1 556940339 VFWHWPUEKRIXAI-NWDGAFQWSA-N 290.367 1.184 0 50 CDAA Cc1cc(C)nc(NC(=O)CN2CCCC[C@@H](O)C2=O)c1 644403388 TYSCZFSOKNSOAD-GFCCVEGCSA-N 291.351 1.010 0 50 CDAA O=C(CCc1ccccc1Cl)N1CC[C@H](CO)[C@@H](O)C1 192652031 DVFLINSWNXFWBS-OCCSQVGLSA-N 297.782 1.474 0 50 CDAA COc1ncncc1CN1CCC[C@H]1CN1CCCCC1 648003561 MZWSKLZJSCHJPZ-HNNXBMFYSA-N 290.411 1.936 0 50 CDAA CO[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cn1 195569133 PXAWPESZZODQCI-ZJUUUORDSA-N 253.277 1.910 0 50 CDAA Cc1cnc(Cn2cnc(C)c(Br)c2=O)cn1 693539431 AFJKSZIMWZAMSB-UHFFFAOYSA-N 295.140 1.461 0 50 CDAA O=C(Cc1cccc(O)c1)N1CCc2ncccc21 771066441 HSMJGXACQFQSDK-UHFFFAOYSA-N 254.289 1.919 0 50 CDAA CO[C@H]1Cc2ccc(N=c3ncnc4[nH][nH]cc3-4)cc2C1 784193461 WYZULGNSVUGRGV-LBPRGKRZSA-N 281.319 1.584 0 50 CDAA Cn1nccc1CCC(=O)Nc1cnn2c1NCCC2 1506425936 HLKOOUDCMRNUCC-UHFFFAOYSA-N 274.328 1.004 0 50 CDAA CC(F)(F)CN=c1nn[nH]n1Cc1ccccc1 1262365792 LZVDIVBTJMDGAZ-UHFFFAOYSA-N 253.256 1.210 0 50 CDAA Cn1nc(C(=O)O)nc1N1CC[C@@H]2CCCC[C@H]2C1 1857710564 DKPBXPUCEKQCBB-UWVGGRQHSA-N 264.329 1.530 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)COC(C)C)s1 1529095751 WGSBYZJQDBECIR-SSDOTTSWSA-N 259.331 1.609 0 50 CDAA C[C@]1(O)CCN(C(=O)CCO)C[C@H]1Cc1ccccc1 216937392 RNRGYESGMCVEBW-ZBFHGGJFSA-N 277.364 1.211 0 50 CDAA COc1cc([C@@H](N)CC(=O)O)cc(OC)c1OC 2944744 UMIWUEOAUPOOEJ-QMMMGPOBSA-N 255.270 1.187 0 50 CDAA biogenic,in-vitro COC(=O)CCCN1CCCC[C@@H]1c1cn[nH]c1 117341880 LWQLCVAXIXPOGZ-GFCCVEGCSA-N 251.330 1.890 0 50 CDAA Cc1nc(NCCS(C)(=O)=O)ccc1Br 230076917 NFZGIWHIISXJTG-UHFFFAOYSA-N 293.186 1.609 0 50 CDAA CCN(C)c1cc(N[C@H]2CCOC[C@@H]2OC)ncn1 1704330398 IKPLFKCPYVSPKB-QWRGUYRKSA-N 266.345 1.149 0 50 CDAA Cc1ncc(Cl)c(N2CCN(c3cnccn3)CC2)n1 1704307338 XFINVJKQTPIGGE-UHFFFAOYSA-N 290.758 1.555 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccc(O)nc3)C[C@@H]21 1704299949 SHZBAGIYHSUYFB-DVOMOZLQSA-N 290.363 1.800 0 50 CDAA CCO[C@@H](C)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 262445208 ONZYXKKOJBUXDX-VHSXEESVSA-N 255.314 1.125 0 50 CDAA CCOc1cc(NCc2ccc[n+]([O-])c2)nc(C)n1 1615585264 ACYPYAKHAZXMDL-UHFFFAOYSA-N 260.297 1.429 0 50 CDAA CCc1ccnc(C(=O)N[C@@H]2CNc3c(c(C)nn3C)C2)c1 1615605243 JGODMJMYQJILHI-LBPRGKRZSA-N 299.378 1.453 0 50 CDAA O[C@H](COCc1ccc2c(c1)OCO2)CN1CCCCC1 5029699 LRBZBYUWANWFAX-AWEZNQCLSA-N 293.363 1.779 0 50 CDAA CC[C@H]1CCc2nnc(-c3nc[nH]c3C(=O)NC)n2CC1 1772813127 WVESAKBBJWZACE-VIFPVBQESA-N 288.355 1.390 0 50 CDAA CN1C[C@@H](CN2CCN(c3cccnc3)CC2)CCC1=O 1775979441 VHTWJNCWOBLPQC-AWEZNQCLSA-N 288.395 1.072 0 50 CDAA CC(=O)c1cnc(N2CCc3n[nH]c(C)c3C2)nc1C 1772705276 QQKSYJCXWXBCSP-UHFFFAOYSA-N 271.324 1.582 0 50 CDAA COC(=O)[C@@H](C(=O)NCc1cccnc1)C1CCCC1 16193589 JJGFYLMUVIXIDB-CYBMUJFWSA-N 276.336 1.677 0 50 CDAA CNC(=O)c1cnc(C=Cc2ccc3c(c2)CCO3)nc1O 1857533411 RJITYVNZOCNTPK-UHFFFAOYSA-N 297.314 1.647 0 50 CDAA O=C(O)[C@]12COCC[C@H]1CN(Cc1ccncc1Cl)C2 1857669080 LOQQJXLXGUWODP-SMDDNHRTSA-N 296.754 1.658 0 50 CDAA CN(Cc1cnc2ccccn12)CC1COCCOC1 1857689483 QSCNMOPVPRMIPN-UHFFFAOYSA-N 275.352 1.429 0 50 CDAA O=C(CNc1cccnc1)N1CCO[C@H](c2ccccn2)C1 1857692260 WLRMASGWJGMYBN-HNNXBMFYSA-N 298.346 1.489 0 50 CDAA Cc1nc(C)c(CNC(=O)[C@@H]2CCc3ncnn3C2)s1 1857711597 AELCNPVYDIUMKI-SNVBAGLBSA-N 291.380 1.230 0 50 CDAA COC(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 56412 RGCHNYAILFZUPL-UHFFFAOYSA-N 252.222 1.046 0 50 CDAA in-vitro O=C(Nc1ccc(OC2CCCC2)nc1)[C@]1(O)CCOC1 408520923 BHSSYDOKDQUXLR-HNNXBMFYSA-N 292.335 1.493 0 50 CDAA Cc1ccc(C(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cn1 328633995 SZXUINVKYGEEAL-CYBMUJFWSA-N 285.351 1.242 0 50 CDAA Cc1noc([C@@H]2CC[C@H](CN[C@@H](C)Cn3cccn3)O2)n1 328632728 SBWADHHFIAVMRL-UHTWSYAYSA-N 291.355 1.473 0 50 CDAA CC[C@@H](C)n1nc(C(=O)NC2CCN(C)CC2)cc1C 330719733 BERIROGNZZAKEZ-LLVKDONJSA-N 278.400 1.987 0 50 CDAA CC(C)Oc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)cn1 648351534 CQSLIARYLIHUCZ-NEPJUHHUSA-N 292.335 1.852 0 50 CDAA Cc1ccccc1-n1ncc(C(=O)NC2(C(=O)O)CC2)c1C 237738090 RJSKAUCLQFJDGY-UHFFFAOYSA-N 299.330 1.836 0 50 CDAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C(=O)O)CC=CC1 663103812 FOMRUDDPADLFFN-PWSUYJOCSA-N 278.352 1.006 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)CCO1 570578847 ZVIXPZOQXIGRJT-AGIUHOORSA-N 299.367 1.284 0 50 CDAA COc1ccc(O)c(C(=O)NCC[C@H]2C[C@@H](OC)C2)c1 1875302200 DHVULBSJYNZACJ-KLPPZKSPSA-N 279.336 1.946 0 50 CDAA O=C(O)[C@H]1c2ccccc2OCCN1CCn1cccn1 903926108 DVZSSTASEOXORS-CQSZACIVSA-N 287.319 1.403 0 50 CDAA CN[C@@H](CC(C)(C)C)C(=O)N[C@H](CC(=O)OC)C1CC1 831146006 AIJQXVMPBPXXID-NEPJUHHUSA-N 284.400 1.469 0 50 CDAA Cc1nnccc1NC(=O)NCC[C@@H]1CCCC[C@@H]1O 930816328 IWVLKQMANQXUSR-AAEUAGOBSA-N 278.356 1.848 0 50 CDAA C=CC(=O)N(C)CC(=O)NC(C)(C)c1ccccc1OC 859178346 CPIZLJHDCUJTFO-UHFFFAOYSA-N 290.363 1.691 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(F)c(C)c1 222318427 LCGFWNSOVXRHRT-CHWSQXEVSA-N 267.300 1.668 0 50 CDAA C[C@](NC(=O)c1ccc2c(c1)COC2)(C(=O)O)C1CC1 111305186 DHXKOFIGTXSAMC-OAHLLOKOSA-N 275.304 1.700 0 50 CDAA CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C 4858355 ZXAJRSOKIZKOAX-LBPRGKRZSA-N 299.392 1.851 0 50 CDAA C[C@@H]1O[C@H](C)[C@@H](C(=O)NCc2nc(C(=O)O)cs2)[C@H]1C 252520563 SXKHRSGFBDFOFC-SDCKUUTBSA-N 298.364 1.517 0 50 CDAA c1nc2n(n1)CCC[C@@H]2NC1CCC2(CC1)OCCO2 156277605 WWYXOICHRIFHHP-LBPRGKRZSA-N 278.356 1.388 0 50 CDAA O=C(CCOc1ccccc1)NC1(C(=O)O)CCCC1 37329746 VCONSFSYOFLLAW-UHFFFAOYSA-N 277.320 1.969 0 50 CDAA CS(=O)(=O)NC1CCN(C[C@H]2CC=CCC2)CC1 77554469 HOJRFIATRBGGDR-LBPRGKRZSA-N 272.414 1.356 0 50 CDAA C[C@H]1CN(Cc2noc(C(C)(C)C)n2)CCC1=O 328688310 HOIILQVBFGHRNZ-VIFPVBQESA-N 251.330 1.778 0 50 CDAA Cc1cc(NCCc2noc(C(C)C)n2)nc(N)n1 91526365 UVEVCOMNNQZEKU-UHFFFAOYSA-N 262.317 1.528 0 50 CDAA CN(CC[C@H]1CCS(=O)(=O)C1)Cc1cscn1 670457486 UOHCCSDVIOXDHS-JTQLQIEISA-N 274.411 1.400 0 50 CDAA C[C@H]1CC(=O)NCCN1Cc1nc(C(C)(C)C)co1 894491355 GQNIUZUHDKUHNH-JTQLQIEISA-N 265.357 1.683 0 50 CDAA Cc1cc(N2CC[C@H](c3cnn(C)c3)C2)nc(N)n1 734833737 SWOLQYOBDIVLEE-JTQLQIEISA-N 258.329 1.095 0 50 CDAA CC(C)n1nccc1C(=O)N1CC[C@@](C)(C(=O)O)C1 827207309 PDHXPXANWRZIEM-CYBMUJFWSA-N 265.313 1.401 0 50 CDAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1cnc(C2CC2)nc1 2100539627 QOHLXNIXKJKCDC-KLPPZKSPSA-N 289.335 1.727 0 50 CDAA COc1cccc(Nc2ncc(C)c(N(C)C)n2)n1 2100541259 YCEUMYGNHWTWFG-UHFFFAOYSA-N 259.313 1.998 0 50 CDAA CO[C@H]1CN(C)C[C@@H]1N=c1[nH]nc(C)c2ccccc12 534646669 PXVXPEHVSPMHOK-KBPBESRZSA-N 272.352 1.101 0 50 CDAA O=C(c1ccc2n[nH]cc2c1)N1CCC[C@]12CCCNC2 2325769211 YIKPNCNRSNWWKU-INIZCTEOSA-N 284.363 1.921 0 50 CDAA O=C(NS(=O)(=O)c1cccnc1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 2325773555 WPKKCIGGDOFEJX-NVRFYQKYSA-N 292.360 1.179 0 50 CDAA CCOC(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 115337418 MLRDVFZQKGDZEK-UHFFFAOYSA-N 273.329 1.312 0 50 CDAA COCC1=CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 122387740 FKOHKUGKGWBWLU-UHFFFAOYSA-N 271.320 1.982 0 50 CDAA COC(=O)c1cccc(NC(=S)N2CCOCC2)c1 134241 IRKWRBUURLINHJ-UHFFFAOYSA-N 280.349 1.502 0 50 CDAA CC1(C)C[C@@]2(C[C@@](C)(c3csc(N)n3)OC2=O)C(=O)O1 181029 YCLVBOXFEBJBML-QWHCGFSZSA-N 296.348 1.599 0 50 CDAA biogenic COc1cccc(Nc2ccc([C@H](O)C(=O)O)cc2)n1 2356146110 RZZKNVDKKWAXQP-ZDUSSCGKSA-N 274.276 1.952 0 50 CDAA O=C(O)CCS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 4574981 YSBKYVZIVNGVDB-SNVBAGLBSA-N 297.307 1.666 0 50 CDAA C[C@@]1(C(=O)O)CCCC[C@H]1NC(=O)N1CCOCC1 135566016 QGHMKKVEAXGWJN-ZWNOBZJWSA-N 270.329 1.062 0 50 CDAA O=C(NC[C@H]1CCCO1)Nc1nnc(C(F)(F)F)s1 23478429 CXWWCLFVKWJSEC-RXMQYKEDSA-N 296.274 1.857 0 50 CDAA CCCc1cc(NCCc2nc(C)cc(=O)[nH]2)nc(C)n1 67725525 OOKQVFKZGPLGIF-UHFFFAOYSA-N 287.367 1.784 0 50 CDAA COc1ccccc1OC1CN(Cc2nccn2C)C1 65424305 TYOYGJQZPLHZQU-UHFFFAOYSA-N 273.336 1.692 0 50 CDAA CCN(C[C@H]1CCCO1)c1cc(CCN)nc(C)n1 67741567 IVFZHSWPFCKFQA-CYBMUJFWSA-N 264.373 1.292 0 50 CDAA Cc1c(CN(C)Cc2ccc(O)c(C(=O)O)c2)cnn1C 67956329 PTJBRYUCGJAORD-UHFFFAOYSA-N 289.335 1.764 0 50 CDAA NC(=O)c1cncc(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 252548973 QOGXDSDNFRWYID-CYZMBNFOSA-N 290.367 1.095 0 50 CDAA c1nsnc1-c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 252537742 MEYFZROJOKQVSY-WCBMZHEXSA-N 293.352 1.514 0 50 CDAA C[C@@H]1CN(C(=O)c2ncoc2[C@H]2CCCO2)C[C@@H]1N(C)C 229827491 SRANYZXXULKDGX-GRYCIOLGSA-N 293.367 1.548 0 50 CDAA Cn1nnnc1CN[C@H](c1ccccn1)C1CCCC1 367640856 AFDHEAHVJFFKBK-AWEZNQCLSA-N 272.356 1.626 0 50 CDAA CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H](C)n1cccn1)C2 67946376 JNZOWMXPSNQZAV-GFCCVEGCSA-N 299.378 1.975 0 50 CDAA Cc1ccc(NC(=O)NCCCNC(=O)C2CCC2)nc1 122168725 FJHNXKYDCWUZFL-UHFFFAOYSA-N 290.367 1.818 0 50 CDAA CC(C)Nc1ncccc1C(=O)N[C@H]1CCC(=O)N[C@H]1C 282122470 HTKMBLNJKZTBEI-JQWIXIFHSA-N 290.367 1.299 0 50 CDAA Cc1cc(NC(=O)N[C@@H]2CNC(=O)C2)ccc1OC(C)C 356216810 ZKFUTBRXVCDINT-LBPRGKRZSA-N 291.351 1.792 0 50 CDAA C=CC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 328600552 YOCYLXZMKZPXOK-ZDUSSCGKSA-N 287.363 1.848 0 50 CDAA Cc1cc(=NC(=O)CC2(n3cccc3)CCOCC2)[nH][nH]1 409414790 WWNNOEVXEZYJRD-UHFFFAOYSA-N 288.351 1.476 0 50 CDAA CC(C)Cc1cc(C(=O)N[C@@H]2CC[C@@H](N)C2)on1 71762733 BEUGPVPHVNKYKI-NXEZZACHSA-N 251.330 1.483 0 50 CDAA CCn1cc(C(=O)N[C@@H](C)C2(OC)CCC2)cn1 331893359 AMBJVYOCGDJFTC-JTQLQIEISA-N 251.330 1.590 0 50 CDAA O=C(N[C@@H]1CCNC[C@@H]1F)OCc1ccccc1 79032938 DWPWWTIOOLQURY-NWDGAFQWSA-N 252.289 1.613 0 50 CDAA CC(C)[C@H]1OCCC[C@H]1CNC1=NCCCCN1 521396964 WVUSBDGPCVXKRL-QWHCGFSZSA-N 253.390 1.767 0 50 CDAA CN1C(=O)[C@H]2CC[C@@H]1CN(c1ncnc3ccsc13)C2 72436045 XWODCLSOBFHCEH-VHSXEESVSA-N 288.376 1.748 0 50 CDAA Cc1nc(-c2ccccc2)oc1C(=O)NCCC(=O)O 154723491 BJSIIIZDONBBJP-UHFFFAOYSA-N 274.276 1.855 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1c1ccccc1 262873505 JWRZXGKPZHBZMI-MELADBBJSA-N 289.331 1.350 0 50 CDAA CC(C)c1cc(C(=O)N2CC[C@H](N)C[C@@H]2C)nn1C 236602129 XETVYTDVEHIGHK-QWRGUYRKSA-N 264.373 1.495 0 50 CDAA Cc1cccc(C)c1-n1nnnc1CN[C@H](CO)C(C)C 156365265 HCSQPRPZGNOXQC-CYBMUJFWSA-N 289.383 1.386 0 50 CDAA COC(=O)[C@@H]1CC12CCN(C[C@](C)(O)C(F)(F)F)CC2 241171040 KDULBBBZOYIWAJ-ONGXEEELSA-N 295.301 1.575 0 50 CDAA CN[C@H](C)CNC(=O)c1cc(-c2ccccn2)no1 261771595 PHJXPQIKDNMFAZ-SECBINFHSA-N 260.297 1.074 0 50 CDAA CCOC(=O)CNc1ccccc1Cn1cncn1 241515488 OFUMNMJQSIPSHE-UHFFFAOYSA-N 260.297 1.301 0 50 CDAA CCc1cc(O)nc(S[C@H]2CCN(C3CC3)C2=O)n1 333289561 RGZYGVRXRONIBD-JTQLQIEISA-N 279.365 1.600 0 50 CDAA CC(C)=C(F)C(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 128129012 DQHFKXHDKMFQBA-CQSZACIVSA-N 281.331 1.758 0 50 CDAA COCC[C@H]1CCCCN(C[C@@H]2CCS(=O)(=O)C2)C1 241965751 UVIGCKKYVRJHBO-KGLIPLIRSA-N 289.441 1.560 0 50 CDAA CSCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 219573946 DMEOMTDILOZEJO-CHWSQXEVSA-N 296.392 1.235 0 50 CDAA Cc1ncoc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 159339480 QQEXOPNJKPYWHO-JTQLQIEISA-N 266.297 1.700 0 50 CDAA Cc1ccc(C)n1-c1c(C(=O)N[C@H](C)C(=O)O)cnn1C 237590081 CQOVTEXXOQWRBJ-SNVBAGLBSA-N 290.323 1.031 0 50 CDAA Cc1[nH]nc(CCC(=O)N2CC(c3cccnc3)C2)c1C 72169842 MALQPLRTSBWOMM-UHFFFAOYSA-N 284.363 1.980 0 50 CDAA CC(C)c1nc(N2CCC[C@](O)(CN(C)C)CC2)no1 72143245 JTELDSFXBJLINZ-CQSZACIVSA-N 282.388 1.476 0 50 CDAA Cc1cc([C@@H]2CN(C(=O)[C@@H](C)N)CCO2)ccc1F 158127693 MKBBJJOOQMCTRY-MFKMUULPSA-N 266.316 1.381 0 50 CDAA C[C@H](O)CN1CCN(CC2CCCCC2)C[C@H]1C 241942333 ULQKDBHHUDRPGK-KGLIPLIRSA-N 254.418 1.954 0 50 CDAA N[C@@H]1CC[C@H](C(=O)NCCc2nc3c(s2)CCCC3)C1 72453822 CLIZVMYNGIQUHE-WDEREUQCSA-N 293.436 1.808 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2cc(F)cc3[nH]cnc23)C1 238075174 DLPSIWBPECAFMI-QMMMGPOBSA-N 291.282 1.639 0 50 CDAA C[C@H]1CN(C(=O)N=c2[nH]ncs2)CCC1(F)F 336005493 HBEVQFMSWTYGGO-LURJTMIESA-N 262.285 1.469 0 50 CDAA O=P(O)(O)Cc1ccc(I)cc1 71772455 BDANDIDWNKWDKL-UHFFFAOYSA-N 298.016 1.969 0 50 CDAA CC[C@@H]1C(=O)NCCN1Cc1coc(C(C)C)n1 216332624 JNJLLMOPSVCBAW-LLVKDONJSA-N 251.330 1.508 0 50 CDAA CC(C)(C)c1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 71752119 AYCCPJDWCUXMLE-SNVBAGLBSA-N 297.424 1.645 0 50 CDAA O=C(Nc1ccncc1F)[C@@H]1CC(=O)N(C2CCCC2)C1 132068592 GLUTWGZIZQZJEM-SNVBAGLBSA-N 291.326 1.950 0 50 CDAA CN(CCC[C@H]1CCCO1)C(=O)c1cccc(N)n1 221446961 TXCOZGIDUGXBCU-NSHDSACASA-N 263.341 1.695 0 50 CDAA C[C@@H]1CC[C@@H](CCC(=O)N2CCOC[C@@H]2CC(=O)O)O1 263333062 VLANOLYFLOXLRI-WOPDTQHZSA-N 285.340 1.036 0 50 CDAA C[C@H](C[C@H](O)c1ccco1)Nc1ccnc(C(N)=O)c1 132724179 GKNCLLPUVWDGSG-SKDRFNHKSA-N 275.308 1.698 0 50 CDAA CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@H]1CCOC1 82126457 BGJCYCXGHSLLLM-JTQLQIEISA-N 288.307 1.127 0 50 CDAA CC[C@@H](NC(=O)Cc1cccnc1)c1nc(C)no1 220588748 JIVCMHZZZPPJGO-LLVKDONJSA-N 260.297 1.583 0 50 CDAA O=c1[nH]nc(-c2nc([C@H]3CCOC3)no2)c2ccccc12 89866706 JSEFFQHGXKZDJR-QMMMGPOBSA-N 284.275 1.477 0 50 CDAA CCC(=O)N1CC[C@@H](NC(=O)Nc2cnn(CC)c2)C1 177708322 QWXFZGVFFREPIU-SNVBAGLBSA-N 279.344 1.035 0 50 CDAA C[C@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(O)nn2)C1 530079204 KKTBTHQAMLVXSS-AAEUAGOBSA-N 290.367 1.188 0 50 CDAA CC(C)n1ccc(C(=O)NCCc2nc(C3CC3)no2)n1 426443264 KOYLEGSDDSWEOV-UHFFFAOYSA-N 289.339 1.697 0 50 CDAA CC(C)Cc1cc(C(=O)N2CCC[C@@H]2CO)n(C)n1 82170961 MBHYXXVTJMTJQI-GFCCVEGCSA-N 265.357 1.216 0 50 CDAA CCc1nc(NC(=O)N2CCC[C@@H](C(C)(C)O)C2)nn1C 48170822 SYKJMUFLFRZVQR-SNVBAGLBSA-N 295.387 1.392 0 50 CDAA CC(C)c1cc(C(=O)N2CC(N3CCCCC3)C2)n(C)n1 82083146 FBQSUAVGWOJXLE-UHFFFAOYSA-N 290.411 1.854 0 50 CDAA O=C(NCc1ccoc1)N1CCC(N2CCOCC2)CC1 426691373 YYISFVQYYTXDDB-UHFFFAOYSA-N 293.367 1.286 0 50 CDAA O=C(c1ccc[nH]1)N1CCC2(CC1)OCCC[C@@H]2O 95354647 BHTVUCIJEVVBHG-LBPRGKRZSA-N 264.325 1.161 0 50 CDAA Cc1nc(CNC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)n(C)c1C 426652102 UTZDYEOFYXZEHB-OPTZYUCBSA-N 273.380 1.945 0 50 CDAA CN1CCC(CCN=c2cc([C@@H]3CCOC3)nc[nH]2)CC1 426471578 NYIOEWVXDWFOGL-CQSZACIVSA-N 290.411 1.546 0 50 CDAA CCCCn1ccnc1C1CCN(C(=O)CN(C)C)CC1 91808999 YWIVSHAVZGVYGB-UHFFFAOYSA-N 292.427 1.951 0 50 CDAA N[C@@H]1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1 237926922 DGABYGNNOFDJOF-UKRRQHHQSA-N 290.363 1.418 0 50 CDAA CC[C@@H]1CN2CCC[C@@H]2CN1Cc1cn2cccnc2n1 180841521 LDIOZIFBJUHSOX-HUUCEWRRSA-N 285.395 1.788 0 50 CDAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2cccc(F)c2F)C1 95497070 DKLLYXPNGMQSGD-ZJUUUORDSA-N 299.321 1.494 0 50 CDAA CCc1c(C)nc(N)nc1NCCN1CCC[C@@H](CO)C1 91426972 WCULDFLVNNAYGI-GFCCVEGCSA-N 293.415 1.046 0 50 CDAA Cc1cccc2cc(C(=O)N[C@@H](C)c3n[nH]c(=O)[nH]3)n(C)c12 95379786 YGRATAZJHIBBIB-VIFPVBQESA-N 299.334 1.389 0 50 CDAA CC[C@H](C)S(=O)(=O)NC(=O)[C@H]1CC1(Cl)Cl 181969275 OFRWJWBXWYFFMB-NTSWFWBYSA-N 274.169 1.425 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CCS(=O)(=O)C1 238900534 JHCCXXGJRNLEFE-UTUOFQBUSA-N 273.398 1.506 0 50 CDAA Cn1cnnc1C1CCN(C[C@H]2CCOC2)CC1 97515016 ZACORYPHHCQSOZ-LLVKDONJSA-N 250.346 1.031 0 50 CDAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(C(=O)O)o1 236771273 GWCGTOJHBUFWGY-ONOSFVFSSA-N 279.292 1.521 0 50 CDAA CCc1nnc(CN(C)Cc2noc([C@@H]3CCCO3)n2)o1 244763890 OXDKDBOXRMFXNB-VIFPVBQESA-N 293.327 1.499 0 50 CDAA O=C(N[C@@H]1CCCCNC1=O)[C@H]1C[C@H]2CC[C@H]1C2 248902289 TUFCVPMAVUCZNT-FIQHERPVSA-N 250.342 1.208 0 50 CDAA Cc1nc(CCN2CCC[C@@]3(C2)CN(C)C(=O)O3)cs1 244659836 HJTPNSZQKOZLBM-AWEZNQCLSA-N 295.408 1.911 0 50 CDAA Cc1nccc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)n1 299748501 HGIOPIOQUWLNTH-WXHSDQCUSA-N 289.335 1.643 0 50 CDAA Cn1ccnc1[C@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 543750454 DKAYVHOHGPEIFN-HOTGVXAUSA-N 285.391 1.813 0 50 CDAA Cn1cc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)O)cn1 250615542 COZZSZXKTQJWGN-LSDHHAIUSA-N 285.347 1.720 0 50 CDAA Fc1cccc(F)c1-c1nc(CN[C@H]2CCOC2)no1 534586818 ABVBVEPPWOPNQL-QMMMGPOBSA-N 281.262 1.893 0 50 CDAA CC[C@@H](CN(C)C)NC(=O)N1CC(Oc2ccccc2)C1 534588401 OBTLGJCKRGYYCW-ZDUSSCGKSA-N 291.395 1.799 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)CCn1ccnc1 534642873 BXVWJFGTZPFESB-LLVKDONJSA-N 276.344 1.152 0 50 CDAA Nc1ncccc1CNC(=O)CN1CCCCCCC1 534661821 FTYLNQSNLRDHPB-UHFFFAOYSA-N 276.384 1.546 0 50 CDAA CCS(=O)(=O)N[C@@H](CN1CCCC1)C(C)(C)C 823412716 LNFAQRQZKIYLCS-NSHDSACASA-N 262.419 1.436 0 50 CDAA Cc1nc([C@H](C)NC(=O)C2=NNC(=O)CC2)c(C)s1 584898066 VCYOPFXJCNLNBZ-LURJTMIESA-N 280.353 1.203 0 50 CDAA C[C@@H](NC(=O)c1ccc2nnnn2c1)C1=CCCCC1 820723389 QTCMSYIMLGNXAX-SNVBAGLBSA-N 271.324 1.743 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)C2(Cn3ccnc3)CC2)[nH]1 825116730 RDPYLVJHRJDJGA-LLVKDONJSA-N 273.340 1.572 0 50 CDAA CCCc1noc(CN(C)C(=O)c2cnc(C)nc2O)n1 584890053 VPHACGNFOHSEJG-UHFFFAOYSA-N 291.311 1.098 0 50 CDAA CCOC(=O)Cc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 675083709 JNBNRXHXZDBMCA-LLVKDONJSA-N 291.303 1.230 0 50 CDAA COc1ccnc(-c2cn(CCN3CCCCC3)nn2)n1 1875319572 IGGZUUXVMIEQAE-UHFFFAOYSA-N 288.355 1.230 0 50 CDAA CC[C@@H](C)N1CCN(C(=O)/C=C/CN2CCCC2)CC1 1875338416 XIDBTNHDFNSRBD-LQYUOIDQSA-N 279.428 1.581 0 50 CDAA Cn1c(=O)oc2ccc(CN[C@@H](CN)C(F)(F)F)cc21 1875323566 MHJZMWSBFNDAED-JTQLQIEISA-N 289.257 1.111 0 50 CDAA CCc1nnc(C[C@@H]2CC[C@H](NCc3cnnn3C)C2)o1 952889778 FUDKIDGIPZJTCO-MNOVXSKESA-N 290.371 1.262 0 50 CDAA CCC(=O)N1Cc2ccccc2C[C@H]1CC(=O)OC 1875289071 RLFNMNRUDNLMAX-ZDUSSCGKSA-N 261.321 1.913 0 50 CDAA Cc1cc(=NC(=O)CN(C)c2c(F)cncc2Cl)[nH]o1 1875286111 GJZMEZNFAFSPMV-UHFFFAOYSA-N 298.705 1.667 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1cccc(-n2cnnc2)c1 952979284 RZOPQQXXARBGFI-UHFFFAOYSA-N 296.334 1.571 0 50 CDAA C[C@@H](NC(=O)c1c[nH]nc1C1CCOCC1)c1cn[nH]c1 886088071 JQLIMQYFXXPCAT-SECBINFHSA-N 289.339 1.518 0 50 CDAA CCc1nn(C)cc1-c1noc([C@H]2CN(C)C[C@@H](C)O2)n1 886082630 ZERIOLWOJORZIN-BXKDBHETSA-N 291.355 1.424 0 50 CDAA C[C@@H]1[C@H](O)CCCN1C(=O)[C@@H]1CSCCS1 899746203 FVQVIZIJYCZLEO-BBBLOLIVSA-N 261.412 1.207 0 50 CDAA O=C(O)c1nn2c(c1I)CCCC2 1535639405 AMBYXYXDLPTIOC-UHFFFAOYSA-N 292.076 1.522 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCCS(N)(=O)=O 247646496 UMPXEJBOHSSRQR-GRYCIOLGSA-N 260.403 1.318 0 50 CDAA CC(C)[C@H]1CN(CCC(=O)NC2CCCC2)C[C@@H]1C(=O)O 1565513387 UFLXUDQPTIHLST-KGLIPLIRSA-N 296.411 1.724 0 50 CDAA CO[C@@H]1CNC[C@H]1NC(=O)CCc1ccc(C)cc1C 1579118502 UWQQKZLRTVSOKP-HUUCEWRRSA-N 276.380 1.339 0 50 CDAA CCCC[C@@H](N)C(=O)N1CCC(N2CCC[C@@H]2C)CC1 170593123 AQWQWFFHNJJHCD-DZGCQCFKSA-N 281.444 1.979 0 50 CDAA C[C@H]1CC[C@@H](CCC(=O)NCc2nnc(S)n2C)O1 170644171 BLEOZABCANIAHZ-IUCAKERBSA-N 284.385 1.068 0 50 CDAA CC(C)(O)C1CCN(C(=O)C[C@@H]2CCOC2)CC1 584896961 DGAJHURALJYDLQ-NSHDSACASA-N 255.358 1.423 0 50 CDAA CCCCCOCC(=O)NC[C@H]1CC(=O)N[C@@H](C)C1 585127606 FELBAJSGLAMFRE-NWDGAFQWSA-N 270.373 1.224 0 50 CDAA C[C@@](NC(=O)c1cnc2ccccn12)(C(=O)O)C1CC1 585139495 DDZDPSIBQONJIJ-AWEZNQCLSA-N 273.292 1.317 0 50 CDAA CC(C)[C@H](CCO)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 585129590 ORVIYJFUHKAWQT-RYUDHWBXSA-N 279.384 1.602 0 50 CDAA O=C(NCCCCO)c1csc(Br)n1 585121525 RQHORXWGBYXFIJ-UHFFFAOYSA-N 279.159 1.408 0 50 CDAA C[C@](O)(c1nc(-c2ccnc3ccnn23)no1)C1CC1 585120584 WZOZZYDDRCIXLC-CYBMUJFWSA-N 271.280 1.397 0 50 CDAA O[C@H]([C@@H]1CCN(C[C@H]2CCc3ncnn32)C1)C(F)(F)F 639667234 YKEAHCCWPXMHTP-FXPVBKGRSA-N 290.289 1.011 0 50 CDAA CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2c[nH]nc2C)C1 190147983 VPWPAJQMFKTZQR-NWDGAFQWSA-N 277.328 1.372 0 50 CDAA COc1cc(C)nc(N(C)[C@@H]2CCCC[C@H]2O)n1 408361015 BLILKLFHLDRXBU-GHMZBOCLSA-N 251.330 1.533 0 50 CDAA CCOc1cc(NCc2ncc3c(n2)CCC3)ncn1 408523804 NPLYRTXXRXZDOR-UHFFFAOYSA-N 271.324 1.766 0 50 CDAA Cc1cc(N2CCC[C@@](O)(CC(=O)N(C)C)C2)ccn1 643718643 BUBHNIXRRGWSQS-OAHLLOKOSA-N 277.368 1.200 0 50 CDAA CC(C)C(CNC(=O)N[C@H]1CCc2ncnn2C1)C(C)C 193881641 DUUIMMBAODVEPV-LBPRGKRZSA-N 293.415 1.820 0 50 CDAA Cc1ccc([C@H]2CCCN2Cc2cn(CC(=O)O)nn2)o1 563816199 ANIVONWLNJKHFY-GFCCVEGCSA-N 290.323 1.601 0 50 CDAA O=C(O)[C@@H](C1CC1)N1CCOc2ccc(F)cc2C1 566625305 LVWLKNNINQHIIO-CYBMUJFWSA-N 265.284 1.883 0 50 CDAA CC(C)N(C)C[C@H](C)NCC1(Cn2cccn2)CC1 1506405977 YIXFHJRKPHKVBU-AWEZNQCLSA-N 264.417 1.982 0 50 CDAA Cc1cc(C(=O)N2CCC(C3CCNCC3)CC2)nn1C 1857675008 HTGJJOSJMWOXEU-UHFFFAOYSA-N 290.411 1.580 0 50 CDAA CN1C[C@H](Cn2ccnc2-c2cccnc2)CC1=O 1857710144 JOUAEADUXIINGH-LLVKDONJSA-N 256.309 1.423 0 50 CDAA N[C@H]1CC[C@H](NC(=O)c2cnc(Nc3ccccc3)nc2)C1 211169897 NTEOOCNZTFBEKP-JSGCOSHPSA-N 297.362 1.830 0 50 CDAA CC(C)(C)NC(=O)CN1CCN(C2CCSCC2)CC1 1506426559 TUXUDGDVONMUAH-UHFFFAOYSA-N 299.484 1.414 0 50 CDAA CSCC[C@H](N)C(=O)N(Cc1cnn(C)c1)C(C)C 1506421775 JSHQTXVDDJTGRA-LBPRGKRZSA-N 284.429 1.238 0 50 CDAA CC(C)n1cc(NC(=O)[C@@H](C)Cn2cccn2)cn1 1529119355 VBIZWPFYQWYKLY-NSHDSACASA-N 261.329 1.935 0 50 CDAA CC(C)[C@@H](CO)NC(=O)c1cnc(F)c(Cl)c1 935176982 IEJKRZAXEUQCPA-SECBINFHSA-N 260.696 1.621 0 50 CDAA O=C(Nc1cnns1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 333328650 CFRRKAWYNCOIKM-CIUDSAMLSA-N 268.342 1.163 0 50 CDAA Cc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)CN3C)c(O)c1 1704308781 JRBPCJBFOOKWFE-OLZOCXBDSA-N 290.363 1.103 0 50 CDAA Cn1ncc(C(F)(F)F)c1CN=c1cncc[nH]1 585091646 FSPLKVQOAMJXSS-UHFFFAOYSA-N 257.219 1.263 0 50 CDAA CN(CCn1ccnc1)Cc1ccc(N(C)C)nc1 215476313 STECOWMXUOCVBB-UHFFFAOYSA-N 259.357 1.476 0 50 CDAA Cc1ccccc1OCCOCCN1CCN(C)CC1 19792608 FVGANNGJRCSLQJ-UHFFFAOYSA-N 278.396 1.638 0 50 CDAA CN1CCN(Cc2ccnc(Br)c2O)CC1 19798573 QLQQCQCKAKNBQT-UHFFFAOYSA-N 286.173 1.297 0 50 CDAA Cc1ccsc1CN1CCN(CCOCCO)CC1 19892862 IHZGKJISMMSRAQ-UHFFFAOYSA-N 284.425 1.183 0 50 CDAA COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(O)CCCC1 5248334 DIDULYDGGTZLEQ-UHFFFAOYSA-N 298.291 1.188 0 50 CDAA CN(CCOCc1ccccc1)Cc1nncn1C 154710609 HFNDYTCWKLYXEJ-UHFFFAOYSA-N 260.341 1.464 0 50 CDAA COCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C 2994066 NMRZCLWIBVGQSS-UHFFFAOYSA-N 264.325 1.313 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1 5794751 VAIUAECUYVOYBP-LLVKDONJSA-N 298.408 1.577 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccccn3)n[nH]c21 1857528607 SJWYTNCWFSLRMV-ZJUUUORDSA-N 286.335 1.757 0 50 CDAA O=C1C[C@@H]2CN(c3ccnc(C(F)(F)F)n3)C[C@@H]2CN1 1857684564 SPERIANGALJIFW-SFYZADRCSA-N 286.257 1.068 0 50 CDAA Cc1cc(NC(=O)Cn2nc3ccccc3n2)c(O)nc1C 1875242369 OZVOBOYUWIEUCB-UHFFFAOYSA-N 297.318 1.787 0 50 CDAA CC(C)(C)c1nnc2ccc(NC[C@H]3CC[C@@H](O)C3)nn12 225491003 NNJDXNUYGQSQEJ-WDEREUQCSA-N 289.383 1.995 0 50 CDAA C[C@H]1CC[C@@H](CNC(=O)c2cnc(C3CC3)nc2)N1C 621982949 PSWUHMYDMRTTER-GWCFXTLKSA-N 274.368 1.567 0 50 CDAA CCOc1ccccc1OCCN1C[C@@H](F)C[C@H]1CO 346423690 SKBCDTJTTDHBAZ-STQMWFEESA-N 283.343 1.869 0 50 CDAA C[C@H](NC(=O)CN1CCC(CO)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 252436600 QBMFYNRXDWAFQW-TUUVXOQKSA-N 294.439 1.632 0 50 CDAA C[C@H](C(=O)O)[C@@H](C)NC(=O)c1cnc(-c2ccccc2)nc1 576818014 UOEXFFVDLCCRRO-WDEREUQCSA-N 299.330 1.983 0 50 CDAA CC1(C)[C@@H](NC(=O)[C@H]2C[C@@H]2c2cccnc2)C[C@H]1O 376898254 NPDWBZSXWCPOSL-MROQNXINSA-N 260.337 1.461 0 50 CDAA C=CC(=O)N1CCC([C@@H]2CCC[C@@H]2C(=O)O)CC1 1857787013 XITJLORVYDZMSS-RYUDHWBXSA-N 251.326 1.912 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2cccc(Br)c2)N1 183790 MSEAPDVWEYPUDJ-VIFPVBQESA-N 283.125 1.666 0 50 CDAA CN(C)C(=O)Oc1ccc(OC(=O)N(C)C)cc1 472831 ULXRHTUWSOLFAL-UHFFFAOYSA-N 252.270 1.807 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)CN1CCCC1=O 229350380 MTUXCMHLUFKJEL-QPSCCSFWSA-N 280.412 1.623 0 50 CDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCCN1CCCCC1 12343573 UOYGYBMQXLFZNQ-CHWSQXEVSA-N 282.384 1.480 0 50 CDAA Cc1nc([C@@H]2CCCN(Cc3nnc(C)s3)C2)n[nH]1 271382383 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292.310 1.227 0 50 CDAA O=C(O)[C@H]1C[C@H](Nc2nccc(C(F)(F)F)n2)[C@H](O)C1 662897579 UJGQMZPFVMOZBT-LYFYHCNISA-N 291.229 1.131 0 50 CDAA Cc1nc(N2CCO[C@@](C)(C(F)F)C2)ncc1C(=O)O 698725388 DQQBXLUWVFBOTO-GFCCVEGCSA-N 287.266 1.344 0 50 CDAA CS(=O)(=O)CC(=O)c1ccccc1C(F)(F)F 153874 SCGOBFQQPDHVJD-UHFFFAOYSA-N 266.240 1.933 0 50 CDAA in-vitro COc1ccc(S(=O)(=O)N2CCCC2)cc1OC 270011 VMGCIRQIOSUXBQ-UHFFFAOYSA-N 271.338 1.488 0 50 CDAA COC(=O)CSc1nnnn1-c1ccc(C)cc1 540632 BIPDMFDVSBKRFT-UHFFFAOYSA-N 264.310 1.236 0 50 CDAA Cc1cc(C)n(CCCN(C)c2nccnc2N(C)C)n1 1529172012 CRDHVRNBUTVQSB-UHFFFAOYSA-N 288.399 1.882 0 50 CDAA Cc1noc(CCNC(=O)c2ccc(C(=O)O)s2)n1 224727487 KDLVCSHZYKWFJN-UHFFFAOYSA-N 281.293 1.110 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@@H]2CC(=O)O)cnn1 630157246 LYCWZFQRXJFPGQ-LLVKDONJSA-N 263.297 1.254 0 50 CDAA C[C@@H]1CCCN(C(=O)C[C@H]2CCCCO2)[C@H]1CN 252155393 NEMIIYIMYJGNHJ-UPJWGTAASA-N 254.374 1.531 0 50 CDAA NC(=O)C1(NC2CC(c3cc(F)cc(F)c3)C2)CC1 348261176 LIKHZSZMPRVCGK-UHFFFAOYSA-N 266.291 1.818 0 50 CDAA CC(C)c1nccc(N(C)CCc2nccc(O)n2)n1 1615552496 VSWJFGDMIZYLDN-UHFFFAOYSA-N 273.340 1.775 0 50 CDAA Cc1conc1C(=O)N1CC2(CCOCC2)CC[C@H]1CO 1615549883 STVHMICKBUEXJP-LBPRGKRZSA-N 294.351 1.377 0 50 CDAA Cc1noc(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)c1C 1615604649 CNSFVXSXJACKAA-XWLWVQCSSA-N 278.308 1.521 0 50 CDAA c1ccc(-n2cnc(CN[C@@]34CCC[C@@H]3NCC4)n2)cc1 1615058814 RIOFSYWECGQESW-GOEBONIOSA-N 283.379 1.642 0 50 CDAA Cc1cnn(C)c1CN(C)C[C@@H](O)c1ccccc1 216045775 WKNRQMSNVJGXAU-OAHLLOKOSA-N 259.353 1.894 0 50 CDAA C[C@]12C[C@H]1CN(C(=O)c1ccc(N3CC(=O)NC3=O)cc1)C2 1772811163 QJBFXVZWVIHVOM-MEDUHNTESA-N 299.330 1.225 0 50 CDAA Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)C2 1772804225 JLSBCIAXBBSVGE-GFCCVEGCSA-N 299.378 1.255 0 50 CDAA CCN(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 5027841 VCUBTRJMTMNGDQ-UHFFFAOYSA-N 277.729 1.435 0 50 CDAA O=c1nc(NCCO)[nH]c2sc3c(c12)CCCC3 5093058 BRJCKQNUCYAPGV-UHFFFAOYSA-N 265.338 1.268 0 50 CDAA CN1CCC(N[C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 12704195 OGMSHHZXRPJFSN-OAHLLOKOSA-N 293.455 1.994 0 50 CDAA O=C(NC1CCCCC1)[C@@H]1CCC(=O)N(C2CC2)C1 12761293 OANOQFGJUZUJEI-LLVKDONJSA-N 264.369 1.836 0 50 CDAA CCCCC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1 2856775 ZMAMHZPJKCRYGH-UHFFFAOYSA-N 287.323 1.791 0 50 CDAA O=C(c1cc(-c2cccc(O)c2)on1)N1CCOCC1 3908300 URNBEXARQZDFKS-UHFFFAOYSA-N 274.276 1.520 0 50 CDAA CCOc1ccc(OCC)c(S(=O)(=O)n2ccnc2)c1 4851787 YKOKIAYVNBIUGN-UHFFFAOYSA-N 296.348 1.918 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N(C)C 6745350 QEQZCMFQKYDKNO-UHFFFAOYSA-N 296.392 1.481 0 50 CDAA CCCN1CCC[C@@H](n2ccnc2[C@H]2[C@H]3CNC[C@H]32)C1 1857723276 YESHGYVFKKTMEB-APIJFGDWSA-N 274.412 1.863 0 50 CDAA O=C1NCCC[C@@H]1n1ccnc1-c1cnc2ccccn12 1875245508 COZWLNKADWFUGE-NSHDSACASA-N 281.319 1.649 0 50 CDAA COc1ccccc1-c1noc(CCCCC(N)=O)n1 225404616 AUDBDNIDKMHRLM-UHFFFAOYSA-N 275.308 1.943 0 50 CDAA CCc1ccccc1C(=O)NC[C@@H](CO)[C@@H]1CCOC1 225468999 UMHWZEZGOKIAGC-KGLIPLIRSA-N 277.364 1.624 0 50 CDAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCCC1 4487272 DMBFUPPDJYCILS-AWEZNQCLSA-N 293.363 1.733 0 50 CDAA Cc1ccncc1C(=O)N1CCC(c2nncn2C)CC1 332461288 PJHBGCIVYKORNI-UHFFFAOYSA-N 285.351 1.538 0 50 CDAA COc1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@H](C)C1 12420038 IZIUAPHQUZQLQD-HZSPNIEDSA-N 295.379 1.544 0 50 CDAA CCn1cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)cn1 249898209 RRZYBIZYBDPBRD-ZDUSSCGKSA-N 280.416 1.180 0 50 CDAA COC(=O)[C@@H]1C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C 250598164 UUIAWYLQFAYJMO-JGPRNRPPSA-N 285.340 1.574 0 50 CDAA in-vitro Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)O 136535377 HCXPBHXJTJJOIT-NOZJJQNGSA-N 294.351 1.936 0 50 CDAA COc1ccc2c(c1)CCN2C(=O)c1ccc(CN)o1 154061500 UUHTWGVNOPRBHN-UHFFFAOYSA-N 272.304 1.950 0 50 CDAA COc1cccc(OC)c1CC(=O)N1CCOC[C@@H](C)C1 366757602 LASDRJKZTCEQFV-LBPRGKRZSA-N 293.363 1.741 0 50 CDAA O=C(Nc1ccncc1F)NC1CCC(C(=O)O)CC1 263002191 GHRPXUSGBZNXPH-UHFFFAOYSA-N 281.287 1.986 0 50 CDAA CCC[C@H](Nc1nnc(-c2ccon2)s1)C(=O)O 263546348 HHKHHPQHWUXZON-ZETCQYMHSA-N 268.298 1.858 0 50 CDAA Cn1ccc(-c2noc(-c3cccc(-c4nc[nH]n4)c3)n2)n1 904876857 VDSNVXHFEDXHSI-UHFFFAOYSA-N 293.290 1.922 0 50 CDAA Cn1nnc(C(=O)NCc2ccccc2)c1C(F)(F)F 905020609 QMUBMMLZMLRQDS-UHFFFAOYSA-N 284.241 1.764 0 50 CDAA CCOCCC(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 1704342027 CBQONJPHSQFLDF-CQSZACIVSA-N 285.384 1.336 0 50 CDAA CCc1c(C(=O)N[C@@H](c2ncccn2)C2CC2)cnn1C 906233895 MYCDQNFVYZEDOM-CYBMUJFWSA-N 285.351 1.654 0 50 CDAA CC(C)=C[C@H]1[C@H](C(=O)N2CCC(CO)(CO)CC2)C1(C)C 832566666 AJPZEORZTKIBJS-UONOGXRCSA-N 295.423 1.818 0 50 CDAA C=CC(=O)N(C)CC(=O)NCCc1ccc(C)cc1 859429619 GQNKZMRVDKZODG-UHFFFAOYSA-N 260.337 1.298 0 50 CDAA CC(C)C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CCO1 219057958 MEDCOTIHUYSCFZ-LLVKDONJSA-N 264.325 1.262 0 50 CDAA NCc1ccc(C(=O)N2CCCC[C@@H]2CC(N)=O)cc1 237903640 PPOPLUFKTADLSY-CYBMUJFWSA-N 275.352 1.015 0 50 CDAA Cc1nnc(CN(C)CC2(CO)CCCC2)s1 299791128 CLDXJZYKERZORZ-UHFFFAOYSA-N 255.387 1.831 0 50 CDAA CSC[C@H](NC(=O)c1ccn(C(C)C)n1)C(=O)O 426707202 LROHMDHQKMTNLC-VIFPVBQESA-N 271.342 1.010 0 50 CDAA CN(Cc1cn(C)nn1)Cc1nccn1C(F)F 336783787 GKQWFOYVEBUTIJ-UHFFFAOYSA-N 256.260 1.039 0 50 CDAA COc1cccc(CN[C@H]2CCCN(CCO)C2)c1 395199988 ZFBPXYJFVNHPTB-AWEZNQCLSA-N 264.369 1.242 0 50 CDAA CC1(C)C[C@H](O)CCN(CCCn2ccnc2)C1 395349646 QZQIFXUTQFYYRH-CYBMUJFWSA-N 251.374 1.756 0 50 CDAA CC(C)(O)C1CCN(Cc2noc3c2COCC3)CC1 931552800 SYCSEKUGCDPXAH-UHFFFAOYSA-N 280.368 1.730 0 50 CDAA CN1CCN(c2ccc(C(=O)Nc3nccn3C)cc2)CC1 1851610988 YECIHJSGXLUDDS-UHFFFAOYSA-N 299.378 1.424 0 50 CDAA O=C(CCc1n[nH]c2ccccc12)N[C@@H]1CCC[C@@H](O)C1 2325766211 BXMXOICEINUOSG-VXGBXAGGSA-N 287.363 1.915 0 50 CDAA O=C(NCc1nc2cccnc2[nH]1)c1cnc2[nH]cncc1-2 2325872078 HCODBGGIUWIZGB-UHFFFAOYSA-N 293.290 1.111 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1cnc2cc[nH]c2c1 901357976 QZCRSRYEWCLVLZ-CQSZACIVSA-N 261.325 1.844 0 50 CDAA C=CC(=O)N(CC)CC(=O)Nc1cc2c(cn1)CCCC2 908323701 RDQXZYHMUIQJMO-UHFFFAOYSA-N 287.363 1.933 0 50 CDAA O=C(C[C@@H](C(=O)O)[C@H]1CCCO1)NCc1ccccc1 31892 QHAHXMVJTKMDFO-CHWSQXEVSA-N 277.320 1.573 0 50 CDAA CCOC(=O)Cn1nnnc1-c1ccc(Cl)cc1 40334 CJBVZEDZCJLNTP-UHFFFAOYSA-N 266.688 1.557 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1[C@H]1CC=CCC1 193894 BPXXFNOSKAHIRC-JQWIXIFHSA-N 264.325 1.861 0 50 CDAA Cc1cc(-c2ccccc2)nn1[C@H](CC(=O)O)C(=O)O 238469 DJYPOZAAIBPISO-GFCCVEGCSA-N 274.276 1.959 0 50 CDAA COc1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1 2890175 YFLRVTCRVZPLFI-UHFFFAOYSA-N 295.298 1.955 0 50 CDAA CCOc1ccc(N2C(=O)C[C@H](SCCN)C2=O)cc1 2233383 JYVSRDOMPMYDMZ-LBPRGKRZSA-N 294.376 1.409 0 50 CDAA Cc1c(C)n(C[C@H](O)CNCCCO)c2ccccc12 3904538 GDVLDDOMEVYIQI-CQSZACIVSA-N 276.380 1.591 0 50 CDAA CCCn1cnc2sc(C(=O)O)c(C)c2c1=O 4967407 APNHGFNNQXSTGR-UHFFFAOYSA-N 252.295 1.875 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)ccc1F 112729492 UJWDOYSJRIVBJL-LBPRGKRZSA-N 266.316 1.195 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCN(CC(F)F)C2)ns1 416354265 NYOTXAOBTGLEOD-QMMMGPOBSA-N 275.324 1.521 0 50 CDAA CCOC(=O)[C@@H](C)Nc1cccc(NS(C)(=O)=O)c1 114746740 JUPDOHUKGCXBFA-SECBINFHSA-N 286.353 1.422 0 50 CDAA O=C([C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)N1CCCO1 20775098 WKLZBZMQIRUADL-VIFPVBQESA-N 296.273 1.482 0 50 CDAA CCN(CC)S(=O)(=O)c1cccc(C(=O)OC)c1 58975273 DDNMQVZPLKLILK-UHFFFAOYSA-N 271.338 1.504 0 50 CDAA COc1ccc2nc(C)nc(N3CCCNCC3)c2c1 420164070 LPPQZGIYWUMIAX-UHFFFAOYSA-N 272.352 1.747 0 50 CDAA COc1ccc(NCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101142819 AQNJZXKWWFHXJM-UOVKNHIHSA-N 298.342 1.872 0 50 CDAA CN(Cc1ccno1)C(=O)c1ccc2c(c1)nnn2C 20995950 XPLJVBNJXAKLAB-UHFFFAOYSA-N 271.280 1.229 0 50 CDAA Cc1nc([C@@H](C)N2CCN(C(=O)NC(C)(C)C)CC2)no1 351617848 CXMWAYLUQBFHNO-SNVBAGLBSA-N 295.387 1.565 0 50 CDAA C[C@@H]1CN(CCOc2cccc(C=O)c2)C[C@@H](C)O1 20653362 QFOPVDKLMMOVFU-CHWSQXEVSA-N 263.337 1.987 0 50 CDAA CN(C)[C@H]1CCCN(c2nccc(-c3cnn(C)c3)n2)C1 23505137 CJNAIZFNIKIQIY-ZDUSSCGKSA-N 286.383 1.408 0 50 CDAA CC(C)N(CCc1ccccc1)C(=O)CS(C)(=O)=O 67561588 JTLCYLAQJYGPDC-UHFFFAOYSA-N 283.393 1.511 0 50 CDAA Cc1nc[nH]c1CN1CCN(C2CCCC2)[C@@H](CCO)C1 20534167 OOMQZIHZOAAPLD-HNNXBMFYSA-N 292.427 1.529 0 50 CDAA Cc1c(C(=O)N[C@@H]2CC[C@@H](N)C2)cnn1-c1ccccn1 67833521 NDVOZCQKZKKHBL-VXGBXAGGSA-N 285.351 1.185 0 50 CDAA CCOC(=O)c1coc(N(C)Cc2nncn2C(C)C)n1 77564275 BRKZBJJGIRJRRK-UHFFFAOYSA-N 293.327 1.660 0 50 CDAA Cc1cc(C(F)(F)F)nc(N2CCCNCC2)n1 62203433 RDOIPVPNEMGQKO-UHFFFAOYSA-N 260.263 1.604 0 50 CDAA CCC(C)(CC)NC(=O)c1ccc2[nH]c(=O)[nH]c2n1 282942392 DMJMNTHONHRJCB-UHFFFAOYSA-N 262.313 1.560 0 50 CDAA COCCN1C[C@@H](Cc2cc(C)ccc2O)CC1=O 219921580 OOVVUWGLZFMAFM-LBPRGKRZSA-N 263.337 1.738 0 50 CDAA O=C(NC[C@H]1CCOCO1)c1ccc2nc(S)oc2c1 154406287 LNUDJXGNZXNWTR-SECBINFHSA-N 294.332 1.609 0 50 CDAA COc1cc2c(cc1C(=O)N[C@@H]1CCOC[C@H]1O)CCC2 219650563 UBKCKYMWIHYPJM-ZIAGYGMSSA-N 291.347 1.064 0 50 CDAA O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H](c2nn[nH]n2)C1 366645553 SGOGROZIDUWEGE-LBPRGKRZSA-N 296.334 1.701 0 50 CDAA C=CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NC)n1C 328596948 BULULOZWBGLASY-GFCCVEGCSA-N 275.352 1.624 0 50 CDAA NC[C@H]1CCCN1C(=O)Cc1ccc(F)cc1F 123265386 XEVLWXSLBPBISO-LLVKDONJSA-N 254.280 1.457 0 50 CDAA Cn1ccnc1[C@@H](O)C1CCN(Cc2ccncc2)CC1 215760749 DWMWTNKMRKVYIN-HNNXBMFYSA-N 286.379 1.761 0 50 CDAA Cc1noc([C@@H](C)NC(=O)Cc2cccc(C(=O)O)c2)n1 262198749 RXUZMJLAFQNBBH-MRVPVSSYSA-N 289.291 1.496 0 50 CDAA Cc1ccnc(N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1 284447361 GFIJGIKIWFZAED-OAHLLOKOSA-N 287.367 1.660 0 50 CDAA CC(=O)N(C)CC(=O)N1CC[C@H]1c1ccccc1F 374048843 GLQKWMJBKBRVLR-ZDUSSCGKSA-N 264.300 1.577 0 50 CDAA COC[C@H]1CCN(C(=O)c2cc(=O)cc(C)o2)C1 219102537 ROPKFDYZDLPSRB-JTQLQIEISA-N 251.282 1.057 0 50 CDAA CC(=O)NCCCN1CC[C@H](O)c2ccccc2C1 374949471 HEMUHRGYUDEFHC-HNNXBMFYSA-N 262.353 1.452 0 50 CDAA CC[C@@]1(O)CCN(Cc2noc(C3CCCC3)n2)C[C@H]1O 72473987 SIZDNUZJYJVEGE-IUODEOHRSA-N 295.383 1.435 0 50 CDAA CCCc1ncncc1C(=O)NC(C)(C)CCC(=O)NC 215944324 CREBBLRFFNTDNZ-UHFFFAOYSA-N 292.383 1.464 0 50 CDAA CC(C)c1ccc(C(=O)N2CC[C@H](CC(N)=O)C2)cn1 377161896 JHGQXJURTVXYKA-LLVKDONJSA-N 275.352 1.543 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)O 236855681 PHBZSTVROGATBE-YXCITZCRSA-N 291.347 1.990 0 50 CDAA CO[C@@H]1C[C@@H](N(C)C(=O)NCC2=CCCOC2)C12CCC2 334098030 UFPIUVWHQQZECG-ZIAGYGMSSA-N 294.395 1.932 0 50 CDAA O=C1OCC2(CCN(Cc3cscn3)CC2)O1 216158723 MTWVPUMSWXXXPT-UHFFFAOYSA-N 254.311 1.645 0 50 CDAA COc1ccc(CC(=O)N2CCC3(CC2)CNC3)cc1 40450078 KOJLSKMVIQSXGZ-UHFFFAOYSA-N 274.364 1.450 0 50 CDAA CC[C@H](N)C(=O)N1CC(Oc2c(C)cccc2C)C1 219418389 KDPAZFBWJNCTNM-ZDUSSCGKSA-N 262.353 1.630 0 50 CDAA O=C(CSc1ccc2nncn2n1)Nc1ccccc1 44891177 ISCZOHSVSHZPGO-UHFFFAOYSA-N 285.332 1.855 0 50 CDAA COCC1(O)CN(C(=O)Nc2cc(Cl)ccc2F)C1 334556799 PLSVLNUADXBQIM-UHFFFAOYSA-N 288.706 1.704 0 50 CDAA O=C(O)[C@H]1CN(C(=O)C/C=C/c2cccc(F)c2)CCO1 237965035 JMHVRSBYUVEGTJ-CXLRFSCWSA-N 293.294 1.541 0 50 CDAA CN(C)C(=O)N1CCN(C(=O)c2occ3c2CCC3)CC1 335806476 WZLCRNGJJNQSRZ-UHFFFAOYSA-N 291.351 1.208 0 50 CDAA C/C=C(\C)C(=O)OCCN1CCN(C(=O)C2CCC2)CC1 179390858 SLUVIFFQAMEBIU-QLKAYGNNSA-N 294.395 1.440 0 50 CDAA Cn1ncnc1CCNC(=O)c1ccc(Cl)cc1O 87435768 PPOHPCKVMBUNGM-UHFFFAOYSA-N 280.715 1.147 0 50 CDAA O=C(Nc1ccc(C(F)(F)F)nc1)[C@@H]1COCCO1 179381608 DZMHBSDBWSYLFL-QMMMGPOBSA-N 276.214 1.454 0 50 CDAA CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@@H]1CCNC1 179075352 ZXPWLZIIQYCWHW-OUAUKWLOSA-N 280.318 1.889 0 50 CDAA COc1ccccc1CNC(=O)Nc1nncs1 43130975 BNTAPDIJAZLNTA-UHFFFAOYSA-N 264.310 1.868 0 50 CDAA COCCN1C[C@@H](Cc2cc(F)ccc2OC)CC1=O 220570539 LKYJBSGVJODJEK-NSHDSACASA-N 281.327 1.872 0 50 CDAA Cc1nc([C@@H]2CCOC2)cc(=NCc2c(C)n[nH]c2C)[nH]1 426510634 NINMLSZWMPKVLN-GFCCVEGCSA-N 287.367 1.663 0 50 CDAA O=C(CC1CCNCC1)N[C@@H]1CCCC[C@H]1CO 231315712 QDVBLSFGMSFNRX-QWHCGFSZSA-N 254.374 1.043 0 50 CDAA CCCn1cc(C(=O)N(C)CCc2cnn(C)c2)c(C)n1 92045812 UJEAABXVPRZEGX-UHFFFAOYSA-N 289.383 1.650 0 50 CDAA Cc1nnc(CNC(=O)c2cccc(CN(C)C)c2)s1 426384000 VUKMXEBCLNQHPM-UHFFFAOYSA-N 290.392 1.838 0 50 CDAA CCC(CC)NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 232860735 BKIIOWLWPIEGFE-FSZOTQKASA-N 251.326 1.814 0 50 CDAA C[C@H]1CCCN1C(=O)Cn1[nH]c2ccccc2c1=O 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C[C@H](COc1ccc(F)cc1F)NC(=O)[C@H]1C[C@H]1C(=O)O 299753040 WPIGKGKVEQEVEO-FKTZTGRPSA-N 299.273 1.569 0 50 CDAA CCO[C@@H](C)CNC(=O)N(CC)Cc1nc(C)no1 534651090 PKOSBHNDJTYZSL-VIFPVBQESA-N 270.333 1.335 0 50 CDAA Cc1cc(C(=O)N[C@@H](c2nccn2C)C(C)C)nn1C 534631690 FXHSZNICNGBBBU-GFCCVEGCSA-N 275.356 1.589 0 50 CDAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccc(F)c(F)c1 534666142 VQTZUFZBTDGZSE-KBPBESRZSA-N 296.317 1.558 0 50 CDAA Cc1ncncc1C(=O)N1CCC(Oc2ccncc2)CC1 299786316 SKSKDYWEQHTYHZ-UHFFFAOYSA-N 298.346 1.864 0 50 CDAA O=C(NCC1CCN(CCO)CC1)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 828759849 CXQVESSBMNFQAP-GUWHFVFCSA-N 292.423 1.099 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2cccc(OC)c2F)C1 670446862 ITJHXSCDOMZCGN-LLVKDONJSA-N 280.343 1.792 0 50 CDAA Cc1cc(O)c(COC(=O)c2ccn3cncc3c2)nn1 1875262819 CAGZOPFYEBZQLA-UHFFFAOYSA-N 284.275 1.495 0 50 CDAA O=C1CCCC[C@H](C(=O)N2Cc3ccc(O)cc3C2)N1 1875268651 AXZVHBFCEXBPDM-CYBMUJFWSA-N 274.320 1.293 0 50 CDAA C[C@H]1CN(C(=O)c2cc3ccc(O)cc3[nH]2)CCC1=O 1875299853 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NCC[C@@H]1CN(c2ncnc3n[nH]cc23)c2ccccc21 1772715959 DJSRCTUMBMHVMY-SNVBAGLBSA-N 280.335 1.937 0 50 CDAA Cc1nc([C@H]2CCCN2c2nccn(C)c2=O)[nH]c1C 895195914 GIRSBLHMETVLIP-LLVKDONJSA-N 273.340 1.462 0 50 CDAA N[C@@H]1CN(C(=O)c2ccc(-c3cn[nH]c3)cn2)CC12CCC2 1775960876 QGUQIIZBGZIJGM-CQSZACIVSA-N 297.362 1.425 0 50 CDAA N[C@@]12CCC[C@H]1CN(C(=O)c1cc3cnccc3[nH]1)C2 1775960805 UQVBTYYXNOMBGZ-XHDPSFHLSA-N 270.336 1.516 0 50 CDAA C=CC(=O)NC[C@]1(C(=O)OC)CC2CCC1CC2 1776003444 PJQHIXURDMOHCB-QIMFLAQGSA-N 251.326 1.658 0 50 CDAA C[C@H](NC(=O)C1(C)CCOCC1)c1ccn(C)n1 1347127738 CIHUYKXRKLWZHS-JTQLQIEISA-N 251.330 1.414 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H]2[C@H]1C2(F)F 1535647212 DFZGHIUZOKPDEX-FXQIFTODSA-N 277.267 1.962 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(CCOC2)[C@H](CN)C1 1535639528 LOVAHUZBIRDDQH-RISCZKNCSA-N 270.373 1.609 0 50 CDAA O=C(NCCSc1cnn[nH]1)[C@H]1C[C@H]2C=C[C@@H]1C2 1565510408 SNAZKTAMFYYQST-AEJSXWLSSA-N 264.354 1.225 0 50 CDAA COC(=O)c1ccc(CN(C)Cc2cc(OC)ns2)[nH]1 1365615593 KNGHUCXKHWKLET-UHFFFAOYSA-N 295.364 1.898 0 50 CDAA CCC(=O)N1CC[C@@H](Nc2ncnc(CC)c2F)C1 271113686 QJZYILLTIRVIBE-SECBINFHSA-N 266.320 1.601 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@H]2[C@@H]1C(=O)O 95644232 KMDJCCBSGFKRFR-FXBDTBDDSA-N 269.297 1.286 0 50 CDAA in-vitro CCOC[C@H]1CCN(C(=O)Nc2ccnc(OC)n2)C1 276521907 LNCSCJXSPOBZDW-JTQLQIEISA-N 280.328 1.376 0 50 CDAA CC1(O)CN(C(=O)Nc2cccnc2N2CCCC2)C1 170091160 FUXGLGOULHQLCV-UHFFFAOYSA-N 276.340 1.280 0 50 CDAA O=c1c2ccncc2ncn1CCc1ccc2c(c1)CCO2 170603016 NWWUCWIGALHXSJ-UHFFFAOYSA-N 293.326 1.969 0 50 CDAA CCc1c(C(=O)N[C@@H]2CCN(CC)C2)cnn1CC(C)C 412834546 GTIHGMVVBHLDHM-CYBMUJFWSA-N 292.427 1.926 0 50 CDAA CC(=O)Nc1cccnc1NC(=O)[C@@H]1CCCO[C@@H]1C 190195171 YBTBODRCJVRTEH-MWLCHTKSSA-N 277.324 1.794 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(C[C@@H](O)c2ccccc2)CC1 191432066 DVISROCDCBJAIA-LSDHHAIUSA-N 292.379 1.201 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2ccc[nH]2)C1(C)C 191691537 VLWSTJAOHCPDPU-SMDDNHRTSA-N 266.341 1.311 0 50 CDAA COC[C@H](NC(=O)c1ccc(C(=O)O)cc1)[C@H]1CCCO1 668302862 SMUIZUJUIHVXMQ-QWHCGFSZSA-N 293.319 1.309 0 50 CDAA CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@H]2OCC[C@H]21 675049961 CMWJMVKHSVMLEL-VGMNWLOBSA-N 257.286 1.238 0 50 CDAA O=C(N=c1cc2n([nH]1)CCCC2)c1ccnc(C2CC2)n1 585082662 BENSSWMDDMJJJL-UHFFFAOYSA-N 283.335 1.561 0 50 CDAA CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23OCCO3)C[C@@H](C)O1 585137672 ODVNKGSCGILRLP-JHJVBQTASA-N 298.383 1.491 0 50 CDAA C[C@H]1CN([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CCO1 736292670 QMPPLQOEGBBDQO-WDEREUQCSA-N 273.340 1.648 0 50 CDAA COCCn1cncc1CN(C)Cc1c(C)noc1C 1506402741 JERYCDHIRNMNEB-UHFFFAOYSA-N 278.356 1.766 0 50 CDAA CSc1nc(=NC(=O)c2cc(C3CC3)[nH]n2)[nH]s1 1875247961 WOBBSTJSYZARSP-UHFFFAOYSA-N 281.366 1.535 0 50 CDAA COc1nccnc1N(C)CCCc1c(C)n[nH]c1C 1529146285 LYUUOVJOYXKEOP-UHFFFAOYSA-N 275.356 1.894 0 50 CDAA CS(=O)(=O)c1ccccc1NCC[C@H]1CCOC1 230103786 QCZINXBVWRBKBJ-NSHDSACASA-N 269.366 1.929 0 50 CDAA O[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@H]1Cc1ccncc1 1704337854 FUKUWAIGOPUREJ-GDBMZVCRSA-N 296.374 1.789 0 50 CDAA C[C@H](CC(=O)O)CC(=O)N1CCOC[C@H]1CC(F)F 1604106055 XEAVFVJYHKQSDO-DTWKUNHWSA-N 279.283 1.370 0 50 CDAA Cc1ccc(S(=O)(=O)NN2CCS[C@@H](C)C2)cc1 405446 KOMYHRBDRMTHAB-NSHDSACASA-N 286.422 1.626 0 50 CDAA Cc1coc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)c1 1615546585 AEDPOEGDAFJYNE-ZDUSSCGKSA-N 293.363 1.982 0 50 CDAA C[C@@H](NC(=O)CN1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 106672130 BLXKGUAYMPWNIV-RFGFWPKPSA-N 266.385 1.260 0 50 CDAA CC(C)Cc1nnc2sc(-c3cnccn3)nn12 11278985 HSEDPNLFLGDOKZ-UHFFFAOYSA-N 260.326 1.841 0 50 CDAA COc1cccc2c1OC[C@@H](N1CCCN(C=O)CC1)C2 11818752 PRNKTLNRDZNCGW-AWEZNQCLSA-N 290.363 1.163 0 50 CDAA O=C(NCc1nc(-c2ccccc2)no1)N1CCOCC1 4943758 VZUXHMKOHDVXAM-UHFFFAOYSA-N 288.307 1.278 0 50 CDAA Cc1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1 2443917 PEEHBWYIPVRVTB-NSHDSACASA-N 264.350 1.555 0 50 CDAA Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)c1 4815649 SCWLBTFRELSMEP-SNVBAGLBSA-N 271.280 1.109 0 50 CDAA O=C(O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F 2570091 WVHMOENDFIKQBZ-QMMMGPOBSA-N 261.199 1.361 0 50 CDAA O=C(c1cc(-c2ccsc2)[nH]n1)N1C[C@@H](O)[C@H](F)C1 1857692013 KUOSZRINPLDNKP-LDYMZIIASA-N 281.312 1.293 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N=c1cc(C)nc(O)[nH]1 408474620 HLFMAVDBIDWUEG-NXEZZACHSA-N 265.313 1.056 0 50 CDAA CCCn1nc(-c2nc(-c3cccnc3)no2)ccc1=O 225320114 BJZCODAMJCVNSV-UHFFFAOYSA-N 283.291 1.765 0 50 CDAA C[C@@H]1C[C@H](N)CCN1C(=O)c1ccc2c(c1)CCC(=O)N2 227289217 UNLYQUJEISMASP-ZWNOBZJWSA-N 287.363 1.523 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CCC[C@H]([C@H](C)N)C1 236825468 RZJKPLNOWLEKME-KBPBESRZSA-N 292.427 1.982 0 50 CDAA CCN(CC(=O)O)C(=O)C1(c2ccc(C)c(OC)c2)CC1 236924164 XCPFSDLYPGRXMG-UHFFFAOYSA-N 291.347 1.968 0 50 CDAA CC(C)c1cnc(NC(=O)NC[C@H]2CNCCCO2)s1 333404226 ZBKDSACAGXYFNV-SNVBAGLBSA-N 298.412 1.767 0 50 CDAA Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1(C(=O)O)CC1 237682626 PKMDDYIVEYMOIV-VXGBXAGGSA-N 259.305 1.832 0 50 CDAA CCn1nncc1C(=O)NC[C@@H]1Cc2ccccc2O1 549316430 VEARZOUNUZRZHR-NSHDSACASA-N 272.308 1.032 0 50 CDAA Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1 20204014 HOXZNJCQIUDIGI-QMMMGPOBSA-N 260.322 1.641 0 50 CDAA in-vitro NC(=O)c1ccccc1N1CC[C@H](NCc2ccco2)C1 370829141 DUKBCVCJSJLWOS-LBPRGKRZSA-N 285.347 1.747 0 50 CDAA O=C(Nc1nccs1)N1C[C@@H]2CCNC[C@@H]2C1 900475508 RBILFVCYPLCIJI-DTWKUNHWSA-N 252.343 1.216 0 50 CDAA O=C(O)[C@H](CCc1ccccc1)N1CCS(=O)CC1 903892251 ZELFNIBTDZMJFA-ZDUSSCGKSA-N 281.377 1.137 0 50 CDAA O=C(O)[C@@H](CCc1ccccc1)N1CCS(=O)CC1 903892250 ZELFNIBTDZMJFA-CYBMUJFWSA-N 281.377 1.137 0 50 CDAA O=S(=O)(NCCc1cnoc1)[C@@H]1C[C@H]1c1ccccc1 907386947 AMGCNZVFBFIKTL-UONOGXRCSA-N 292.360 1.693 0 50 CDAA CCOCc1nc(C)cc(NCCOC[C@@H]2CCCO2)n1 929084958 PXGCKGUJDKUHQV-ZDUSSCGKSA-N 295.383 1.929 0 50 CDAA CN(Cc1n[nH]c2c1COCC2)[C@@H]1CCSC1 930093854 NRERYHDNKMLWGS-SECBINFHSA-N 253.371 1.420 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H]([C@H]2CCOC2)C1 1857778250 RRRJNVRBOZWEQI-GARJFASQSA-N 285.340 1.591 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1ccc2c(c1)C[C@@H](OC)C2 860752032 KALMJHBUBDMEKQ-AWEZNQCLSA-N 288.347 1.383 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)s1 2749009 AMJSZHWUJLEZEJ-JGVFFNPUSA-N 267.310 1.452 0 50 CDAA Cc1cc(C)cc(OCC(=O)NCCCN(C)C)c1 4698838 ADKXWYOSNXWDCZ-UHFFFAOYSA-N 264.369 1.750 0 50 CDAA Cc1ccc(C)c(S(=O)(=O)NCCN(C)C)c1 7653409 BDDCQYVSGXTIMS-UHFFFAOYSA-N 256.371 1.143 0 50 CDAA C[C@H](O)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)CC1 252585392 IGHSFRYLJWTOAE-MHEUCROKSA-N 280.412 1.527 0 50 CDAA O=C(Nc1cccc2c1CCCC2)[C@H]1CNCCO1 43707508 CVADLKMZDHYUTG-CQSZACIVSA-N 260.337 1.492 0 50 CDAA c1nc(-c2ccc3c(c2)OCCO3)c2nc[nH]c2n1 426370394 HIMCERZRRGJXQY-UHFFFAOYSA-N 254.249 1.791 0 50 CDAA COC[C@]1(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CCNC1 333815005 JXVLRUSVEUBXBT-AYDFFVQHSA-N 280.412 1.698 0 50 CDAA Cn1nncc1CNC[C@H]1CCOc2ccccc21 363592119 KVJVVWMQTRCQOY-LLVKDONJSA-N 258.325 1.471 0 50 CDAA Brc1cccc(CN2CCOCC2)n1 113892746 IYLFMVWZQBQAOU-UHFFFAOYSA-N 257.131 1.676 0 50 CDAA Fc1ccccc1Cn1nnc(-c2cccnc2)n1 10337033 PAHUMNUPCJRTOI-UHFFFAOYSA-N 255.256 1.923 0 50 CDAA CC(C)[C@@H](O)c1nnc2ccc(C(=O)N3CC(F)C3)cn12 2100556452 OBNKCAABJYZEBM-GFCCVEGCSA-N 292.314 1.213 0 50 CDAA COC(=O)c1ccc(N[C@H]2SC(=O)NC2=O)cc1 1201958 ORKJQPIUBQIRGY-VIFPVBQESA-N 266.278 1.194 0 50 CDAA CN(C(=O)[C@H]1C[C@H](N(C)C)C1)C1Cc2ccccc2C1 2325784863 PNQIRCMTDQLPQZ-SHTZXODSSA-N 272.392 1.952 0 50 CDAA CC1(C)[C@@H](NC(=O)c2ccc3ccnn3c2)C[C@H]1CN 2325800205 WVCFKOPOXHDEGG-AAEUAGOBSA-N 272.352 1.438 0 50 CDAA CCC[C@@](C)(CO)NC(=O)c1ncnc2c1CCC2 2325811367 SGTUFWBJIRBFDD-AWEZNQCLSA-N 263.341 1.246 0 50 CDAA CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 53098482 ALSKYCOJJPXPFS-BBRMVZONSA-N 275.348 1.813 0 50 CDAA in-vitro CCOCC(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 246420872 SDHOODFILWSHDU-VGTOOOLASA-N 261.387 1.219 0 50 CDAA CN1CCC[C@@H](OC(=O)COc2ccc(F)cc2)C1 249839 JJVMNOUACCFPSQ-CYBMUJFWSA-N 267.300 1.842 0 50 CDAA COc1cc(N2C(=O)c3ccccc3C2=O)nc(OC)n1 251751 FIDNYMJOICLSQV-UHFFFAOYSA-N 285.259 1.294 0 50 CDAA Cn1c[n+](C[C@@H](O)COc2ccccc2)c2ccccc21 273019 FYOHUQBEVOXBNL-CQSZACIVSA-N 283.351 1.906 0 50 CDAA Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)c1 458435 GFMPZHMEBVCKDR-UHFFFAOYSA-N 280.755 1.986 0 50 CDAA CCCCNC(=O)NS(=O)(=O)Cc1ccccc1 1666056 BBFCVFYDYALSMF-UHFFFAOYSA-N 270.354 1.616 0 50 CDAA CCOC(=O)c1cnc(Nc2ccc(OC)cc2)[nH]c1=O 2197929 LYXHYKNSAKSSQZ-UHFFFAOYSA-N 289.291 1.699 0 50 CDAA COCc1nc(-c2ccc(OC)c(C(=O)O)c2)nn1C 2356151732 WRNVMTBWRGUMFT-UHFFFAOYSA-N 277.280 1.335 0 50 CDAA CC(C)(C)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4070244 CORAFMLYOWUDQE-CYBMUJFWSA-N 295.404 1.901 0 50 CDAA O=S(=O)(Cc1ccccc1Cl)NC[C@H]1CCCO1 4740639 YREOLMQRHVMAHF-LLVKDONJSA-N 289.784 1.938 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 6701506 LTARFKWCDPODGH-GFCCVEGCSA-N 296.392 1.605 0 50 CDAA O=C(N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(Cn2ccnc2)cc1 225472167 VMPAQIOOVVYQBV-OWCLPIDISA-N 297.358 1.981 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(CC2CCCCCC2)C1 344070775 VNULDSIPXUFPME-STQMWFEESA-N 254.374 1.531 0 50 CDAA CCOc1ccccc1CNC(=O)CCn1cccn1 8604846 MQNRSGJBYQZHDG-UHFFFAOYSA-N 273.336 1.988 0 50 CDAA c1ccc2c(c1)CCN(c1ccc3nncn3n1)C2 20715633 CTUSSRYRBVEVCC-UHFFFAOYSA-N 251.293 1.687 0 50 CDAA CC(C)c1nc(CCNc2ncnc3c2CCNC3)no1 67867626 YGMSTTZCBGMGQZ-UHFFFAOYSA-N 288.355 1.283 0 50 CDAA Cc1cc(NC(=O)[C@H]2OCCc3ccccc32)n(C)n1 137234937 KUCWGAIWACSWBC-AWEZNQCLSA-N 271.320 1.981 0 50 CDAA COC[C@H](NC1CCN(CC(C)C)CC1)c1ccnn1C 67805047 ZSVZUUXKBRHDOA-HNNXBMFYSA-N 294.443 1.818 0 50 CDAA Cc1ccc(-c2nc(C[C@@H]3CCCO3)no2)c(=O)[nH]1 20321362 UAYRWLCTVIUEMN-VIFPVBQESA-N 261.281 1.455 0 50 CDAA CCN(C(=O)c1cc(CN2CCOCC2)on1)C(C)C 67881848 NKKAHVWVZGFVQK-UHFFFAOYSA-N 281.356 1.377 0 50 CDAA CC(=O)NCCNC(=O)c1ccc(-c2cscn2)cc1 151129258 UDYHIFUWKBUWIF-UHFFFAOYSA-N 289.360 1.676 0 50 CDAA Cc1nc(S(=O)(=O)N(C)[C@H](C)c2ccncc2)cn1C 170734169 WGBYLRNNFBKCSN-SNVBAGLBSA-N 294.380 1.505 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N[C@@H](C)c3nncn3C)c2c1 67772972 ZUDGLNPHAPHEIE-VIFPVBQESA-N 284.323 1.491 0 50 CDAA OCc1ccc(CN2CCCC[C@@H]2CN2CCOCC2)o1 65435984 MONIRQAYSWKTSK-CQSZACIVSA-N 294.395 1.459 0 50 CDAA CCOCC1(CN2C[C@H](C(=O)O)CC2=O)CCC1 65424336 KWSYIGDCIAUUEY-SNVBAGLBSA-N 255.314 1.126 0 50 CDAA COc1cccc(CN(C)[C@H](C)C(=O)N(C)C)c1F 65460854 BJDIBWWJIHYITD-SNVBAGLBSA-N 268.332 1.743 0 50 CDAA CCOc1ccc([C@H](CC(=O)O)n2cnnn2)cc1OC 1235077 CYGRULHXEUHNCF-JTQLQIEISA-N 292.295 1.145 0 50 CDAA CSCC(C)(C)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 328586555 FEYDOMBMIXUBDE-GFCCVEGCSA-N 296.440 1.906 0 50 CDAA CCN1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1ccsc1 253416430 VXQYEWILSPELCL-ZIAGYGMSSA-N 294.420 1.612 0 50 CDAA O=C(CCc1cccc(O)c1)NCCSc1cn[nH]n1 215403602 MNDAYFYWEQLQDW-UHFFFAOYSA-N 292.364 1.351 0 50 CDAA CCCCN(CC(F)(F)F)C(=O)[C@@]1(F)CCNC1 152073515 GMFKZWVEFIRESO-SNVBAGLBSA-N 270.270 1.879 0 50 CDAA COC(=O)CN1CCC=C(c2cn(C(C)C)nn2)CC1 328597173 FDZXNQMMGLOZOT-UHFFFAOYSA-N 278.356 1.511 0 50 CDAA Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CCSC2)cn1 328630926 JXCHLENUZXHQME-IHRRRGAJSA-N 298.431 1.428 0 50 CDAA C[C@@]1(NCC(=O)O)CCN(C(=O)C2CCCCCC2)C1 328634732 MYTAETAABZKHHI-OAHLLOKOSA-N 282.384 1.622 0 50 CDAA Cc1cccnc1N1CCN(C[C@@H]2CCNC2)CC1 77424970 IOVFIGUIYYLEES-CQSZACIVSA-N 260.385 1.122 0 50 CDAA COCCOC1CN(C(=O)Nc2ccsc2)C1 331746118 CUNHCSBPRPEMRE-UHFFFAOYSA-N 256.327 1.627 0 50 CDAA COc1ccc(-c2cc(NCC(=O)O)nc3[nH]ccc23)nn1 72158190 QEDJPGOACUXWHV-UHFFFAOYSA-N 299.290 1.525 0 50 CDAA O=C(CCc1ccccc1)C(=O)NC[C@@H]1CCCCCN1 219901917 TYLAQYZVNCHZBC-HNNXBMFYSA-N 288.391 1.837 0 50 CDAA CN1CCN(C(=O)c2n[nH]c3ccc(Cl)cc23)CC1 284376292 UQQDYBJZVIXOFK-UHFFFAOYSA-N 278.743 1.604 0 50 CDAA CCOC(=O)c1csc(=O)n1Cc1ncccc1C 128023643 GHABRSLPUQNLFC-UHFFFAOYSA-N 278.333 1.838 0 50 CDAA Cc1cc(C)n(CC2(CNC(=O)[C@H]3CC[C@@H](N)C3)CC2)n1 72420527 XWRBGYJYEIVFEU-UONOGXRCSA-N 290.411 1.524 0 50 CDAA NC[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 131718446 SWCPQNYHLJXZRQ-JTQLQIEISA-N 276.308 1.077 0 50 CDAA Cc1nc(S)sc1CC(=O)Nc1c[nH]c(=O)c(C)c1 159431941 PJNMOXZLYFAZID-UHFFFAOYSA-N 295.389 1.918 0 50 CDAA COC[C@@H]1CN(C(=O)c2cn[nH]c2C(C)C)CC(C)(C)O1 285536291 PPRXZLMWPYIARJ-NSHDSACASA-N 295.383 1.799 0 50 CDAA Cn1cc(-c2c[nH]cc2C(=O)N2C[C@@H](O)C(C)(C)C2)cn1 336574857 SWXZRPRVVBFGRQ-CYBMUJFWSA-N 288.351 1.258 0 50 CDAA O[C@H]1CCC[C@@H]1CNC1CCN(Cc2ccccn2)CC1 453625794 FCZAIQPZUMRYAB-PBHICJAKSA-N 289.423 1.797 0 50 CDAA C[C@@H]1[C@H](c2ccccc2)OCN1CN1C(=O)CCC1=O 71772871 ZRWHGPSWWJXUMK-IAQYHMDHSA-N 274.320 1.512 0 50 CDAA O=C(CCn1cccn1)NC[C@H]1COc2ccccc2C1 42724617 YQDRCGDGRXVTJK-ZDUSSCGKSA-N 285.347 1.641 0 50 CDAA O=C(NC[C@@H]1OCCc2ccccc21)c1cnco1 221287110 ZOBJPZUVXDKKGM-LBPRGKRZSA-N 258.277 1.718 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)Cc1cccnc1 328614261 ADZAKHCQKOTZIV-AWEZNQCLSA-N 284.363 1.542 0 50 CDAA CCO[C@H]1CN(C(=O)c2cc(C)oc2C)C[C@@H]1O 223240811 JMRFWXYRYBIEJR-RYUDHWBXSA-N 253.298 1.118 0 50 CDAA COc1ccc(/C(C)=C/C(=O)N2CC[C@@H](CN)C2)cc1 178544484 YTUXGPMBHSTNHM-SRXBQZRASA-N 274.364 1.906 0 50 CDAA c1ccc2c(c1)OC[C@@H](CCNc1ncncn1)O2 222823164 WUNKKTXOXROPTB-SNVBAGLBSA-N 258.281 1.514 0 50 CDAA CNC[C@H]1CCN(C(=O)CSC(F)(F)F)C1 178973405 RZZNBFGBSBIALA-SSDOTTSWSA-N 256.293 1.307 0 50 CDAA CCn1ncc(NC(=O)c2c(Cl)cnn2C)c1C 196691766 OROMXYQNSRPXKR-UHFFFAOYSA-N 267.720 1.851 0 50 CDAA Cc1nc(CNC(=O)[C@@H](C)n2ccnc2C)n(C)c1C 426409304 KKANCPZUZOYYFS-LLVKDONJSA-N 275.356 1.419 0 50 CDAA CCNc1ncc(CN2CCCC[C@@H]2CC(=O)O)cn1 97772897 VEJWFVQQUJURAV-GFCCVEGCSA-N 278.356 1.738 0 50 CDAA COCC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCO1 97179458 CIMYDANNODZDJR-AWEZNQCLSA-N 293.363 1.695 0 50 CDAA O=C(NCc1cc[nH]n1)N1CC[C@@H](N2CCCCC2)C1 336240131 QMSMHHWKJABDKM-CYBMUJFWSA-N 277.372 1.180 0 50 CDAA CCO[C@H](C)C(=O)N1CC(Oc2ccccc2F)C1 426514937 ZGSFAKJXIRNFIY-SNVBAGLBSA-N 267.300 1.840 0 50 CDAA CC[C@H](O)Cn1nc(-c2csc(C)n2)nc1COC 95356473 WDUSEZVHMZCBLE-VIFPVBQESA-N 282.369 1.627 0 50 CDAA C[C@@H](CCC(=O)N(C)Cc1nccn1C)N1CCCC1 426428401 UISBMSVFTMVUCU-ZDUSSCGKSA-N 278.400 1.643 0 50 CDAA CC(C)c1ncc(C(=O)N2C[C@@H]3CCCN[C@@H]3C2)cn1 96162694 YTEOEROYEHTIMF-WCQYABFASA-N 274.368 1.424 0 50 CDAA Cc1ccc(N2CC[C@@H](N(C)CCC(=O)O)C2=O)cc1 294859396 VRODILVZKRTBMP-CYBMUJFWSA-N 276.336 1.507 0 50 CDAA NC(=O)c1cn(CC2CCC(C(F)(F)F)CC2)nn1 853678743 OEUPKGOLXXPVLS-UHFFFAOYSA-N 276.262 1.746 0 50 CDAA Cc1cnc(CNc2nc(C)nc3oc(C)nc23)cn1 92037285 OFVXWQMXYYSOQJ-UHFFFAOYSA-N 270.296 1.945 0 50 CDAA C[C@@H](Oc1ccccc1)C(=O)NCC1(C)CCNCC1 181281456 VLDDIUHDQOJHCQ-CYBMUJFWSA-N 276.380 1.960 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1COc2ccccc2C1 95508577 HKPMWIJGDPQYJC-AWEZNQCLSA-N 299.374 1.937 0 50 CDAA O=C1OCCN1CC(=O)N1CCCC[C@H]1c1nccs1 96162806 WCOKVBWPPJPYSK-JTQLQIEISA-N 295.364 1.649 0 50 CDAA CCCCCNC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 245283700 OIFSJQBIIITRGQ-JOCQHMNTSA-N 279.388 1.786 0 50 CDAA Cc1nc(CN(C)C(=O)CC2(O)CCCCC2)no1 183343260 VOKNPNHDFJFRSD-UHFFFAOYSA-N 267.329 1.422 0 50 CDAA COc1ccc(CN(C)C(=O)[C@]2(F)CCNC2)cc1F 299740409 ZJHPHGNIMUBDSN-AWEZNQCLSA-N 284.306 1.494 0 50 CDAA Cn1ccc(NC(=O)CN2CCCCCCC2)n1 252482163 CZVMAAYMFFQFMM-UHFFFAOYSA-N 250.346 1.625 0 50 CDAA Cc1cc(CC(=O)N2CCn3cccc3[C@H]2C)on1 557481738 SYPCWJJBYLDSAE-LLVKDONJSA-N 259.309 1.930 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc(C)c(F)c1 299801394 XVIMOQHXMFQMLK-GJZGRUSLSA-N 294.370 1.972 0 50 CDAA CC(C)[C@@H](NC(=O)c1cnccn1)c1nccn1C 299793248 IBKZWNFVCYTZHL-LLVKDONJSA-N 259.313 1.337 0 50 CDAA Cc1nnc(CN2CC(c3nccs3)C2)s1 299787286 VUBDHDVGGQHZNE-UHFFFAOYSA-N 252.368 1.902 0 50 CDAA Cc1ncc(C(=O)NC2(C(N)=O)CCCCCC2)cn1 299773101 AKAUGZLJPIIKOL-UHFFFAOYSA-N 276.340 1.093 0 50 CDAA Cc1cccc(CS(=O)(=O)N2CC[C@H](C(C)(C)O)C2)c1 825219035 HAXDUBQDGDFIES-AWEZNQCLSA-N 297.420 1.918 0 50 CDAA CN(Cc1cc(C2CC2)on1)C(=O)CCc1cn[nH]c1 584890094 CAIFTCFQXZGANC-UHFFFAOYSA-N 274.324 1.866 0 50 CDAA Cc1nn[nH]c1-c1ncnn1-c1cccc2c1CCC2 825261482 PHDGEIQOWZEQDR-UHFFFAOYSA-N 266.308 1.850 0 50 CDAA Cc1nn(CCC(=O)O)c(C)c1NC(=O)C[C@@H]1CCCO1 630332593 HRSKKRYCOVGXEQ-NSHDSACASA-N 295.339 1.482 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1cccc(O)n1 584901154 KMXCFCPXQABLFF-SNVBAGLBSA-N 260.297 1.192 0 50 CDAA CN(C[C@@H]1CCN(C)C1(C)C)C(=O)c1cncc(O)c1 584903128 FASGUCHWKFAAGV-LBPRGKRZSA-N 277.368 1.590 0 50 CDAA Cc1nnc([C@@]23COC[C@@H]2CN(c2ccncc2C)C3)o1 685941365 RZGNAEFDSLANOS-WFASDCNBSA-N 286.335 1.486 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1cnc2cc[nH]c2c1 1550194639 RZEJKYLCRODGIT-UKRRQHHQSA-N 270.336 1.577 0 50 CDAA O=C1N[C@H](C(=O)Nc2ccc(Oc3ccccc3)nc2)CO1 1411923354 GIIUNIXVQTUHEO-LBPRGKRZSA-N 299.286 1.921 0 50 CDAA C[C@@H]1CN(C)C[C@H](c2nc(-c3cccc(CO)c3)no2)O1 1875321106 UXKQXNBOVMYPGS-ZWNOBZJWSA-N 289.335 1.621 0 50 CDAA C=CC(=O)NCc1ccc(N2C[C@@H](C)CS2(=O)=O)cc1 1875366758 PGETYZWRCRGNES-LLVKDONJSA-N 294.376 1.275 0 50 CDAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1NCc1cc[nH]c1 1875399964 NJCOORAPCPSKNG-BFHYXJOUSA-N 260.341 1.141 0 50 CDAA O=C(O)[C@@H]1C=CCN(C(=O)C2(Nc3ccccc3)CC2)C1 1875304754 TYADSSVYJXVBLF-GFCCVEGCSA-N 286.331 1.730 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccnc(C2CC2)c1 1875273335 QAIWKWFJKUTVSX-NSCUHMNNSA-N 260.293 1.418 0 50 CDAA CC(=O)c1ccc(C(=O)OC[C@H]2CCCOC2)[nH]1 1875263745 IGLMXQVZXXXKAI-JTQLQIEISA-N 251.282 1.801 0 50 CDAA NC(=O)Cc1nc(C2CCCC2)n(-c2ccccn2)n1 952860674 QYLGYDSOOZDIDP-UHFFFAOYSA-N 271.324 1.348 0 50 CDAA O=C(NCC1CCN(Cc2cc[nH]n2)CC1)c1ccoc1 885939087 REIQKNWVOPXTGD-UHFFFAOYSA-N 288.351 1.645 0 50 CDAA O=C(CCc1cn[nH]c1)NCCCNc1cccnc1 952981053 YQXQPQRQBYXHSA-UHFFFAOYSA-N 273.340 1.356 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@](O)([C@H](N)C2CC2)C1 958528664 YNRQQSMQLYYSCJ-BXUZGUMPSA-N 270.373 1.486 0 50 CDAA CN(C)C[C@@]1(O)CCN(c2cc(-c3ccccc3)ncn2)C1 895009941 IEPHNHKXUAMESP-KRWDZBQOSA-N 298.390 1.646 0 50 CDAA Nc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)nn1 888077274 YPBAYOZDXPRUAA-LBPRGKRZSA-N 299.334 1.902 0 50 CDAA CS[C@@H]1CN(c2nc(C)cc(C)n2)C[C@H]1N(C)C 271098651 MJAXLAINCZCQHO-VXGBXAGGSA-N 266.414 1.575 0 50 CDAA Cc1nc(CN2CC(=O)N[C@H]3CCCC[C@@H]32)oc1C 132905630 WPUZOOJZSOQSCH-RYUDHWBXSA-N 263.341 1.534 0 50 CDAA CCC(CC)(CNC(=O)C1(Cc2cnn[nH]2)CCC1)OC 1775987064 QPXQDFGNAJUGHO-UHFFFAOYSA-N 294.399 1.839 0 50 CDAA C[C@@H](NC(=O)[C@H]1Cc2ccc(F)cc21)c1nn(C)cc1O 1412771956 VIBXPRSWEQURSW-PELKAZGASA-N 289.310 1.782 0 50 CDAA C[C@@H](NC(=O)C1(C)CCOCC1)c1ccn(C)n1 1347127739 CIHUYKXRKLWZHS-SNVBAGLBSA-N 251.330 1.414 0 50 CDAA COC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1 54965453 RQDDIHNPUSEQFX-ZDUSSCGKSA-N 294.351 1.583 0 50 CDAA in-vitro C[C@H](N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 168512245 CSVAAPGQFLRJJX-IJEWVQPXSA-N 289.423 1.845 0 50 CDAA Cc1ocnc1CNCc1cc(C(N)=O)cs1 397884133 HZLYBIMLIKVCDQ-UHFFFAOYSA-N 251.311 1.433 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1cccc(C(F)(F)F)c1 169917268 OIDKEVAECWFZSS-UHFFFAOYSA-N 290.090 1.959 0 50 CDAA Cn1nccc1N1CCC[C@H](NC(=O)C2[C@@H]3CCC[C@@H]23)C1 278649854 ZSDMQFQQTOEPKH-YNEHKIRRSA-N 288.395 1.551 0 50 CDAA CC[C@@]1(COC)NC(=O)N(c2cc(F)cc(OC)c2)C1=O 1326045174 GEVUTJRWOUAVGU-AWEZNQCLSA-N 296.298 1.686 0 50 CDAA CCC(=O)N[C@H]1CCc2cc(C(=O)O)ccc2NC1=O 1594707487 HZGDUIQHNPOVRQ-NSHDSACASA-N 276.292 1.164 0 50 CDAA O=C1C[C@@H](CN2CCC[C@@H](CC(F)(F)F)C2)CN1 585094496 RNWVYRUULWSLRB-VHSXEESVSA-N 264.291 1.787 0 50 CDAA CSC[C@H](C)C(=O)N[C@@H](c1csc(C)n1)[C@H](C)O 585130270 LZDYWJZOPFAHIM-DKCNOQQISA-N 288.438 1.989 0 50 CDAA O=C(/C=C/c1ccc[nH]1)N1CCCC[C@H]1c1nc[nH]n1 188681425 RZLRBXVMFFJNQL-SYTKJHMZSA-N 271.324 1.900 0 50 CDAA CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1O 95626801 KBVJLYZEMMZQJU-MNOVXSKESA-N 273.329 1.167 0 50 CDAA in-vitro O=C(Nc1cnns1)c1cc(-c2cccnc2)on1 189592805 JYDLHABWUIHVGL-UHFFFAOYSA-N 273.277 1.840 0 50 CDAA Cc1ncc(C(=O)NS(=O)(=O)C2CCC2)s1 408484752 NBIACEPPQBOFJV-UHFFFAOYSA-N 260.340 1.064 0 50 CDAA CO[C@@H]1CN(C(=O)[C@@H](C)C(=O)OC(C)(C)C)CC[C@H]1C 413743410 OVBXDSWHFULEAR-IJLUTSLNSA-N 285.384 1.848 0 50 CDAA COC(=O)[C@@H]1CCN(Cc2ncc(C)o2)C[C@H]1C 191799513 QXPDCAIHWBUQQB-MWLCHTKSSA-N 252.314 1.614 0 50 CDAA CCN1CN(C(=O)N[C@H](C)CCC(C)C)CC1=O 192610013 PRBBWHJEATUHBS-LLVKDONJSA-N 255.362 1.642 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N1CCO[C@@H](CC(=O)O)C1 194956989 SJQNWWUTSCEKTC-NSHDSACASA-N 297.738 1.964 0 50 CDAA O=C(O)[C@@H](C(=O)NCc1cc(F)ccc1F)C1CC1 663035453 XDSXWKKJDXIPKA-LLVKDONJSA-N 269.247 1.692 0 50 CDAA CNC(=O)CCN(C)c1ncnc2scc(C)c12 577160613 GVOZBJQVQMNLQG-UHFFFAOYSA-N 264.354 1.572 0 50 CDAA CC(C)N1CCCN(C(=O)Cc2cscn2)CC1 668101014 CUGRURXFDXTIPC-UHFFFAOYSA-N 267.398 1.628 0 50 CDAA O=C(NOC1CCOCC1)[C@H]1CCCc2n[nH]cc21 772709836 JZSLXEZYCZPPNF-JTQLQIEISA-N 265.313 1.056 0 50 CDAA CSC[C@H]1CCCN(c2cc(C)nc(N)n2)C1 91412023 JGMKDTWPPRZYGG-JTQLQIEISA-N 252.387 1.947 0 50 CDAA Cc1ccccc1C[C@H](C)NCCN1C(=O)CNC1=O 136301297 PEQKYWPXCYEPTJ-LBPRGKRZSA-N 275.352 1.067 0 50 CDAA CNC(=O)C[C@H]1CCN(c2nnc(C)c3ccccc23)C1 1506422012 YZJRZJDMDHKUIY-GFCCVEGCSA-N 284.363 1.901 0 50 CDAA CSc1nccc(NCCN2CCC[C@H](CO)C2)n1 1506407151 UKQHVWCWTKBAOL-NSHDSACASA-N 282.413 1.315 0 50 CDAA CCOC(=O)C[C@H](N)c1cc(OC)cc(OC)c1 2545039 PRMOXKMXQABQKA-LBPRGKRZSA-N 253.298 1.657 0 50 CDAA in-vitro C[C@H](C(=O)NCc1nccs1)C1CCOCC1 120014123 OMNWAPIEDWZYLW-VIFPVBQESA-N 254.355 1.822 0 50 CDAA CC(C)(C(=O)N1CCO[C@@H](C(=O)O)C1)c1cccs1 236692176 AJXWIFKBYPSZAK-SECBINFHSA-N 283.349 1.338 0 50 CDAA O=C1NC(=O)[C@@]2(CCc3cc(Br)ccc32)N1 127566411 VSAYNERGILLODM-NSHDSACASA-N 281.109 1.430 0 50 CDAA C[C@H](Cc1ccsc1)NC(=O)N1CCOCC1 132596502 GLPVTCSKCXTPGN-SNVBAGLBSA-N 254.355 1.721 0 50 CDAA C[C@@H](NC(=O)NC1CC(CC(N)=O)C1)c1ccc(F)cc1 1615545002 FETHZVGAOLJQGQ-TTXORMCVSA-N 293.342 1.840 0 50 CDAA Nc1ccn2ncc(C(=O)N3C[C@@H]4[C@H](C3)C4(F)F)c2c1 1615554422 ROCKQYMLGCSGAC-AOOOYVTPSA-N 278.262 1.254 0 50 CDAA CNC(=O)Cn1cc(-c2cc(Cl)c(O)cc2C)cn1 1772708324 BEFXPBKQNXIFPW-UHFFFAOYSA-N 279.727 1.964 0 50 CDAA Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(C3CC3)C2)n1 11665511 XWBFUMJYXPOYLW-LBPRGKRZSA-N 287.363 1.407 0 50 CDAA O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCSCC1 12300235 VGDIVAQDUAYNMZ-OAHLLOKOSA-N 298.452 1.189 0 50 CDAA O=S(=O)(c1ccccn1)n1nnc2ccccc21 12958817 OZUVNTAONYFQTG-UHFFFAOYSA-N 260.278 1.063 0 50 CDAA Cc1ccccc1O[C@H](C)C(=O)NC1CCN(C)CC1 16603066 FBYVVYLPMJTPFG-CYBMUJFWSA-N 276.380 1.973 0 50 CDAA CC(C)=CCN1CCN(Cc2cc(C)n[nH]2)C[C@@H]1CCO 19761169 YFHIGPYGFPHRQM-INIZCTEOSA-N 292.427 1.553 0 50 CDAA C[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1)CN(C)C 2881514 POVREMZLKFLXJK-QWHCGFSZSA-N 264.369 1.768 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 4953496 JXNRULRHASYXOD-BLTAXRJOSA-N 255.273 1.520 0 50 CDAA C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)C[C@@H](C)O1 6741873 OKMCEDSLXKAIAY-RKDXNWHRSA-N 291.319 1.763 0 50 CDAA CC[C@H](C)NC(=O)[C@H]1CC(c2cnn(CC)c2C)=NO1 6804884 MOBSDSWSVSGDGC-TVQRCGJNSA-N 278.356 1.619 0 50 CDAA CCCN=c1ncc(-c2nccn2-c2cnn(C)c2C)c[nH]1 1857688669 VXGAQFAWEGTTRL-UHFFFAOYSA-N 297.366 1.615 0 50 CDAA NC(=O)c1cn2c(n1)CCN(Cc1ccccc1)CC2 1875241287 TUARPOLCKUZHHW-UHFFFAOYSA-N 270.336 1.040 0 50 CDAA CC(C)Oc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 194858 VJAKUPPPTKCJFX-SNVBAGLBSA-N 263.293 1.911 0 50 CDAA in-vitro O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(O)cc2)[C@H]2C=C[C@H]1C2 101113206 KSPCSLXTFYMKED-VDUILEQBSA-N 273.288 1.854 0 50 CDAA O=C(O)CCNC(=O)[C@H]1C[C@]12CCCc1ccccc12 225466381 DDTXFGPYLBOWSO-CJNGLKHVSA-N 273.332 1.872 0 50 CDAA Cc1noc([C@H](Nc2ncccn2)C2CCOCC2)n1 328609491 DMFFAALXADIGEO-LLVKDONJSA-N 275.312 1.748 0 50 CDAA Cc1cccc([C@H](C)C(=O)NCC(=O)N2CCOCC2)c1 330685503 UQKMPFZDWCLVCC-ZDUSSCGKSA-N 290.363 1.074 0 50 CDAA CCOC[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 236973810 RAKPVRMCNLGEMX-CZUORRHYSA-N 288.391 1.586 0 50 CDAA O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)N[C@@H]1CCc2nc[nH]c2C1 333380617 BCHUXALUUFKZDD-WRWGMCAJSA-N 259.353 1.819 0 50 CDAA C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1COCCN1 237577471 VSZOYSJBKGABOP-KYOSRNDESA-N 292.354 1.519 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)COCc1ccccc1 344672326 WKUAWWKQEFPKAP-LSDHHAIUSA-N 293.363 1.466 0 50 CDAA NC(=O)CN1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 247744530 OWPADMRJUGGQBP-HIFRSBDPSA-N 291.370 1.207 0 50 CDAA CCCCN(C)C(=O)N[C@@H](C)c1nnnn1C1CC1 252498019 QUAWSMMINIDZOR-VIFPVBQESA-N 266.349 1.511 0 50 CDAA COc1ncc(C)cc1NC(=O)[C@H]1CN(C(C)C)CCO1 375289873 VHKOHKSOIFSWRR-CYBMUJFWSA-N 293.367 1.446 0 50 CDAA Cc1ncncc1C(=O)N1CCCN(C(=O)C(C)C)CC1 263961600 XMHJNYMJPISVQA-UHFFFAOYSA-N 290.367 1.116 0 50 CDAA c1cncc([C@@H]2CCCN2CC2COCCOC2)c1 1857688252 ZGLOEXPADOERFU-HNNXBMFYSA-N 262.353 1.882 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccccc1)C2 1704324977 IMUOSNBTBLLZIG-JSGCOSHPSA-N 260.337 1.089 0 50 CDAA C=CC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 820437493 NSLBUPDHOACKKK-CBAPKCEASA-N 271.363 1.657 0 50 CDAA CN(C(=O)N1C[C@@H]2CCNC[C@@H]2C1)C1CCCC1 923715342 RYVPJVGVVDCHGP-NWDGAFQWSA-N 251.374 1.522 0 50 CDAA Cc1nc(O)c2c(n1)CN(CC[C@H](O)c1ccccc1)C2 931311249 GMAXAFSARWYDFL-HNNXBMFYSA-N 285.347 1.930 0 50 CDAA NC(=O)CC1CN(C(=O)[C@@]2(c3ccccc3)CCCO2)C1 935761950 BPYXSNQMNIJZRC-INIZCTEOSA-N 288.347 1.026 0 50 CDAA COc1ccc(CC(=O)N2CCOCC2)cc1OC 121801 HAHWQJZCEHYMEU-UHFFFAOYSA-N 265.309 1.105 0 50 CDAA C[C@H](N[C@@H]1CCN(C)C1=O)c1cnn(Cc2ccccc2)c1 119094215 IGNJEJUVABHHHP-XJKSGUPXSA-N 298.390 1.813 0 50 CDAA CCNc1ncc(C(=O)N[C@H]2CCCN(CC)C2)s1 127222962 SVNLKUCUKYAFNV-JTQLQIEISA-N 282.413 1.789 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)O 236863329 VRUFMOAXKGYMEZ-JHJVBQTASA-N 277.320 1.224 0 50 CDAA O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1C[C@H](O)CN1 150860990 JVHYJAIIWFJBIA-WPRPVWTQSA-N 281.381 1.073 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N[C@@H](CC(=O)O)c2ccccc2)O1 155469549 AQGUKPOQXXNGBF-WXHSDQCUSA-N 277.320 1.886 0 50 CDAA CCCNC(=O)CN1CCC(c2ccncc2)CC1 191630904 UCVUXQJPODOIBW-UHFFFAOYSA-N 261.369 1.787 0 50 CDAA OC[C@@H]1COCCN(Cc2ccc(C(F)(F)F)nc2)C1 77355595 CAEKSNYMHBLRST-LLVKDONJSA-N 290.285 1.541 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)[C@H]1CCCC[C@H]1O 328625507 DFESCKJDVGYFHD-MELADBBJSA-N 263.385 1.681 0 50 CDAA CC1(C)CN(S(=O)(=O)CC2CCC2)CC[C@H]1O 333234262 VELSARARFBGGSC-LLVKDONJSA-N 261.387 1.209 0 50 CDAA CCOc1ccccc1NC(=O)N(C)CCNC 96027379 XYEGXOPPIJUZIN-UHFFFAOYSA-N 251.330 1.768 0 50 CDAA Cn1nccc1C1CCN(C[C@@](C)(O)C(F)(F)F)CC1 366838181 BQODVLYZKPEVHJ-GFCCVEGCSA-N 291.317 1.913 0 50 CDAA Cc1cccc(CCN2CCN3C(=O)OC[C@@H]3C2)n1 497290351 UHGVGFXQEZUVHM-ZDUSSCGKSA-N 261.325 1.069 0 50 CDAA c1c[nH]c2nc(=NCc3cnc4n3CCC4)ccc-2n1 719928388 LGGJCSQSXDZQPJ-UHFFFAOYSA-N 266.308 1.153 0 50 CDAA COC1(C(=O)N2CC(C)(C)c3ccccc32)CC(N)C1 2325800685 BHIDMTKWVXMNSF-UHFFFAOYSA-N 274.364 1.817 0 50 CDAA Cn1ncc2cc(CN=c3nc(C4CCCC4)[nH][nH]3)cnc21 2325801357 CYPYMNRIEKWBOJ-UHFFFAOYSA-N 297.366 1.778 0 50 CDAA CC(C)(C)[C@@H]1C[C@H](NC(=O)C(=O)C2CCCC2)C(=O)N1 2325811213 BZZMXOILXRLUSG-QWRGUYRKSA-N 280.368 1.165 0 50 CDAA CC(C)(O)[C@H]1Oc2c(ccc3c2CO[C@](C)(O)C3)C1=O 2332918186 MNVJPXIUNYWXPR-ZFWWWQNUSA-N 278.304 1.182 0 50 CDAA NC(=O)c1sc(=S)n(-c2ccccc2)c1N 40024 LTRHJRQGKKFIDU-UHFFFAOYSA-N 251.336 1.949 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 355375 QJSPWPGMDGFRSI-NSHDSACASA-N 276.336 1.178 0 50 CDAA CSc1ccc(S(=O)(=O)N2CCOCC2)cc1 582970 JVFIUDWLYWPTNW-UHFFFAOYSA-N 273.379 1.429 0 50 CDAA COC(=O)c1ccccc1NC(=O)NC[C@H]1CCCO1 611098 PNFPKUOJHDGWKS-SNVBAGLBSA-N 278.308 1.774 0 50 CDAA C[C@H](NC(=O)c1ccc2c(c1)OCO2)[C@H]1CCCO1 1054262 MRJUYPBLOMGFDD-GXSJLCMTSA-N 263.293 1.713 0 50 CDAA COc1ccc(OC)c([C@H]2C=C(C(=O)O)NC(=O)N2)c1 4014565 HNWCQBBEAZICEC-SECBINFHSA-N 278.264 1.026 0 50 CDAA COC(=O)c1cccc(C(=O)NC(=S)N2CCCC2)c1 10293293 OMKRWVHAIXZJLP-UHFFFAOYSA-N 292.360 1.584 0 50 CDAA CC[C@H](C)NC(=O)c1cccc(NS(C)(=O)=O)c1 10357446 AUSYHWBVBPYGIB-VIFPVBQESA-N 270.354 1.586 0 50 CDAA c1coc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)c1 225599715 LDJMKGFQWLSYNA-ONGXEEELSA-N 261.281 1.865 0 50 CDAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100313509 FVBXDZQNIUPFOG-GVARAGBVSA-N 296.326 1.957 0 50 CDAA O=C1C(=O)N(CCc2ccccc2)[C@@H]2C=CC=C[C@@H]12 109655668 QKBWRAHZDHESIC-ZIAGYGMSSA-N 253.301 1.751 0 50 CDAA Cc1nnc(SCCCNC(=O)[C@H]2CCOC2)s1 55091040 HNSKYWWFGDLPNE-VIFPVBQESA-N 287.410 1.481 0 50 CDAA COCCOc1cc(Br)cnc1OC 113278502 MZLBDHNVGKCWCV-UHFFFAOYSA-N 262.103 1.878 0 50 CDAA COc1ccc(N2CCC(N3CCSCC3)CC2)nn1 20255411 FEPNTDWXLFGMAN-UHFFFAOYSA-N 294.424 1.503 0 50 CDAA Cc1nccn1-c1ccc(CNS(C)(=O)=O)cc1 22510722 ODJMKINTGVVZOJ-UHFFFAOYSA-N 265.338 1.230 0 50 CDAA CCCNC(=O)CN1c2ccccc2[C@H](C(N)=O)C[C@H]1C 230237893 CUXHFPBIFIBPLN-DGCLKSJQSA-N 289.379 1.380 0 50 CDAA C[C@H]1COCCN1CCN(CCCO)c1ccccc1 328589337 YCFFDMMVLBPAPD-HNNXBMFYSA-N 278.396 1.596 0 50 CDAA Cc1ccc(CN(CC(=N)O)C[C@@H]2CN(C)CCO2)nc1 328621767 ATTNDUDSYNQYDW-AWEZNQCLSA-N 292.383 1.058 0 50 CDAA Cn1cnnc1[C@H]1CN(C[C@@H]2CC=CCC2)CCO1 328651076 VVHYCLNDXQAVPH-CHWSQXEVSA-N 262.357 1.545 0 50 CDAA COc1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)nn1 282627803 AQBSAJVZXLCSMP-JSGCOSHPSA-N 287.367 1.765 0 50 CDAA Cc1ccccc1-c1nnc(N2CCS(=O)CC2)n1C 328715232 OKADAIRXGBOMIO-UHFFFAOYSA-N 290.392 1.359 0 50 CDAA O=C(Nc1ncco1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 253369721 HHOVULKYWKLJLY-IVZWLZJFSA-N 263.297 1.754 0 50 CDAA O=C(N=c1cc2n([nH]1)CCCC2)N1CC[C@@H](C2CC2)C1 329243148 OUSYFQHYVHMDFW-GFCCVEGCSA-N 274.368 1.905 0 50 CDAA CS(=O)(=O)[C@@H]1CCCN(C[C@H]2C[C@H]3C=C[C@H]2C3)C1 360204449 LXMZEMBTPFYLFG-IGQOVBAYSA-N 269.410 1.708 0 50 CDAA COc1cc(C)sc1C(=O)N1C[C@H](C)N[C@@H](C)C1 154118127 GRHRFAMUMOUJIA-IUCAKERBSA-N 268.382 1.888 0 50 CDAA O=C(NC1CC1)N[C@@H]1c2ccccc2CC[C@H]1CO 365058775 OFTSJWDJIMPDBL-FZMZJTMJSA-N 260.337 1.744 0 50 CDAA C[C@H]1C[C@@H](NS(=O)(=O)c2ccsc2)c2nccn21 333035769 DAJNQCIEPZJLPP-WCBMZHEXSA-N 283.378 1.929 0 50 CDAA O=S1(=O)CCCC[C@H]1c1nc(-c2ccon2)no1 333073363 CYWLFQCOEXIYCX-QMMMGPOBSA-N 269.282 1.364 0 50 CDAA COCC(C)(C)N1CCN(C(=O)c2csc(O)n2)CC1 333326839 VLETWKJVYKWZGZ-UHFFFAOYSA-N 299.396 1.032 0 50 CDAA CC(C)C[C@@H]1NC(=O)N([C@H]2C[C@@H](OC(C)C)C2)C1=O 333466505 CWECTEVVEATKKU-TUAOUCFPSA-N 268.357 1.909 0 50 CDAA O=C1C[C@@H](C(=O)N[C@@H]2CCCOC2)c2cc(F)ccc2N1 32593158 PCPAGVLDHIFADT-ZYHUDNBSSA-N 292.310 1.547 0 50 CDAA CCc1cc(NC(=O)N2CC(C)(C)NC(C)(C)C2)n(C)n1 606446016 QYQJWQBXJCKHLN-UHFFFAOYSA-N 293.415 1.977 0 50 CDAA CC(C)(C)OC(=O)N1CCN(NC(=O)C(F)(F)F)CC1 72194162 KMLCPJYNACWWHW-UHFFFAOYSA-N 297.277 1.133 0 50 CDAA Cc1ccccc1C1(CNC(=O)[C@H]2NCCO[C@@H]2C)CC1 261933462 LXLPLGYJMDWPPL-HIFRSBDPSA-N 288.391 1.520 0 50 CDAA CN1CCC(c2nnc(CN3CCCC3)n2C)CC1 77471521 LHHYZFCUFGLQLC-UHFFFAOYSA-N 263.389 1.220 0 50 CDAA O=C(c1ccnnc1)N1CC(Oc2ccccc2F)C1 219321387 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CCNC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NC1CCCC1 253370044 LFMPJLPGNUICCS-DRZSPHRISA-N 279.384 1.628 0 50 CDAA CC[C@@H](OC1CCCC1)C(=O)N1CCO[C@H](CC(=O)O)C1 299751531 QWCYXAAMILUZBB-CHWSQXEVSA-N 299.367 1.426 0 50 CDAA Cn1ccc2c(OCC(=O)Nc3cn[nH]c3)cccc21 252509784 YVJYVABTOFMAMX-UHFFFAOYSA-N 270.292 1.919 0 50 CDAA CC[C@@H](NC(=O)CN1CCCCCC1)c1ncnn1CC 534592848 UBBGLCFXMIZPKO-CYBMUJFWSA-N 293.415 1.741 0 50 CDAA COCCc1noc(CN(C)C(=O)c2cncc(F)c2)n1 268224816 DCBDCQDMWTYURA-UHFFFAOYSA-N 294.286 1.065 0 50 CDAA O=C(O)c1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 534655267 QUOCWNXKEZIRGI-GFCCVEGCSA-N 285.303 1.395 0 50 CDAA CNc1nc(N2CCN(C(C)C)CC2)ncc1F 725272973 WPKCEKYKRSXBOB-UHFFFAOYSA-N 253.325 1.188 0 50 CDAA Cc1cnccc1C(=O)N1CCOC[C@H](CN(C)C)C1 823690246 SZHYYSMMFJURCG-CYBMUJFWSA-N 277.368 1.040 0 50 CDAA CCN1CCN([C@H]2CCN(C(=O)Cc3ccco3)C2)CC1 268973421 GIAVVUJQJWBREB-AWEZNQCLSA-N 291.395 1.061 0 50 CDAA O=C(C[C@@H]1CCCOC1)N1CCC(Cn2ccnc2)CC1 584892141 GKQMRWGLCFVOFJ-HNNXBMFYSA-N 291.395 1.938 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)NC[C@@]1(C)CCN(C)C1 670472563 NMYGQOPQBQAQSY-OAHLLOKOSA-N 276.384 1.667 0 50 CDAA O=C(CCC(F)(F)F)N1CCC(Cn2ccnn2)CC1 269902624 JYUHREAGFBSWMH-UHFFFAOYSA-N 290.289 1.859 0 50 CDAA Cc1ccc(CS(=O)(=O)N2C[C@@H](O)CC(C)(C)C2)cc1 867823588 MQCWSLWOMNJSEF-AWEZNQCLSA-N 297.420 1.918 0 50 CDAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(C)C[C@@H]2C)cc1 685939472 YGIMFILAPVATJM-RCBQFDQVSA-N 288.391 1.961 0 50 CDAA Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c(=O)[nH]1 165377254 PVTKMDXTOHHXER-LLVKDONJSA-N 292.335 1.543 0 50 CDAA COc1nn(C)cc1C(=O)N=S1(=O)CCCCCC1 1875298194 QZSVZXRNNNXTLF-UHFFFAOYSA-N 285.369 1.611 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H](C)c1ccc(F)cc1F 1875273438 XYJWTUJJGKQQGA-NWALNABHSA-N 283.274 1.914 0 50 CDAA Cc1ocnc1CNCc1c2c(nn1C)CCCC2 1875284882 SBDYAFFMRHSGPQ-UHFFFAOYSA-N 260.341 1.885 0 50 CDAA Cc1cc(NC(=O)N2CC[C@H](c3ncc[nH]3)C2)on1 1875269379 JNRTYECYMMUXMA-VIFPVBQESA-N 261.285 1.728 0 50 CDAA O=C(N[C@@H]1CCOc2ccccc21)[C@@H](O)CN1CCCC1 1875308333 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QIKHJJKNSUXMKL-UHFFFAOYSA-N 272.304 1.857 0 50 CDAA CN(CC(=O)O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 265246468 NGLBEHYEYSLODV-JQWIXIFHSA-N 290.146 1.968 0 50 CDAA O[C@H]1CN(CCCCOCc2ccccc2)C[C@@H]1F 1616095028 LRYCWCHGKYUREL-GJZGRUSLSA-N 267.344 1.998 0 50 CDAA CCO[C@]1(c2nnc3n2CC(C)(C)CC3)CCOC1 1616038509 LREARPDXAPTQJN-CQSZACIVSA-N 265.357 1.903 0 50 CDAA O=C(NC(=S)NC[C@H]1CCCO1)c1ccc(F)cc1 459039 YMTXOMAYJLKBDN-LLVKDONJSA-N 282.340 1.609 0 50 CDAA CN(CC(N)=O)S(=O)(=O)c1cc(Cl)ccc1Cl 467914 LMLFCEHUZPPDPM-UHFFFAOYSA-N 297.163 1.099 0 50 CDAA COc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C 802727 DGBGXUGIPWFTDS-UHFFFAOYSA-N 266.322 1.746 0 50 CDAA O=S1(=O)CCCc2c1nnn2-c1ccc(F)cc1 1775970948 KYOHWKUEYJAODP-UHFFFAOYSA-N 267.285 1.126 0 50 CDAA Cc1nc(C)c(CN2C[C@@H]3COCC[C@]3(CO)C2)s1 1772711050 VXXMYTKOXCEJMN-TZMCWYRMSA-N 282.409 1.591 0 50 CDAA COc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1Cl 5050341 VEAQGEXKTVDYKG-UHFFFAOYSA-N 293.728 1.054 0 50 CDAA C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(N)s2)C1 18068147 HXUTWZFOPNBJLY-OCAPTIKFSA-N 286.426 1.717 0 50 CDAA Cc1cc[n+](CCCS(=O)(=O)O)c2ccccc12 1951046 QHORCTJPQGNFIZ-UHFFFAOYSA-O 266.342 1.714 0 50 CDAA COc1ccc2c(c1)c1c3n2CCN=C3N(C)CC1 4959854 FPVFIBNGMCUWPM-UHFFFAOYSA-N 255.321 1.898 0 50 CDAA CC(=Cc1ccccc1)CN1CCOC[C@H]1CC(N)=O 1857529462 HENLTYVJGXETAE-OAHLLOKOSA-N 274.364 1.666 0 50 CDAA Cc1nc(-c2cccnc2N(C)C)n([C@@H]2CCOC2)n1 1857672325 RIMNPRWNYALLDQ-LLVKDONJSA-N 273.340 1.676 0 50 CDAA Cc1c(C(=O)NCc2nnc3n2CCC3)nc2ccccn12 1857709606 HTAIFNIZQUWXOX-UHFFFAOYSA-N 296.334 1.110 0 50 CDAA CCCn1cc(CNC(=O)[C@H]2CC[C@@H](OC)[C@H](N)C2)cn1 1857711741 FDGJHZZWCDGSLB-BFHYXJOUSA-N 294.399 1.052 0 50 CDAA COc1ccc(CN2C[C@H]3COC[C@@H]2CN(C)C3)c(F)c1 1875240871 JCSMLIJJBXYWEL-JSGCOSHPSA-N 294.370 1.597 0 50 CDAA Cc1cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)c(O)nn1 1875243098 QAPTXZCLSNGAIP-LBPRGKRZSA-N 269.304 1.761 0 50 CDAA CN1CCc2cc(-c3n[nH]cc3-c3ccncn3)cnc21 1875249346 WMHZPAVVXLCFEZ-UHFFFAOYSA-N 278.319 1.921 0 50 CDAA CCNC(=O)N1CCCNC(=O)[C@@H]1Cc1ccccc1 334462254 XKDHAGXVJBCSAZ-ZDUSSCGKSA-N 275.352 1.149 0 50 CDAA CN1C[C@H](C(=O)N2CCSCC2)c2ccccc2C1=O 335193711 WTPAFJGYWUIXIU-ZDUSSCGKSA-N 290.388 1.431 0 50 CDAA Cc1nnc([C@H]2CN(CCC3(O)CCC3)C[C@@H](C)O2)o1 661925890 PIGGHODJSIPSCI-ZYHUDNBSSA-N 281.356 1.445 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)Cc1ccc(F)cc1F 353184791 BSYVZAUSNMYDDD-KBPBESRZSA-N 299.317 1.818 0 50 CDAA O=C(O)c1cccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 579956384 FQZHRYUZFJQIEF-GFCCVEGCSA-N 285.303 1.395 0 50 CDAA Cc1ccc2cc(C(=O)N3CCOC[C@H]3C(=O)O)[nH]c2c1 262549967 WTBGZFTZHGSGFJ-ZDUSSCGKSA-N 288.303 1.402 0 50 CDAA C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@@H]1C(=O)O 262613897 LOCFRMVZQGXLSL-ZZVYKPCYSA-N 289.331 1.696 0 50 CDAA Cc1ccnc(N2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)c1 162611375 OFTPYPJUECITKD-UHFFFAOYSA-N 298.346 1.041 0 50 CDAA C=CC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1 390834523 AEAGMXGJVDAIAK-NFAWXSAZSA-N 261.321 1.914 0 50 CDAA O=C([C@H]1CCn2nccc2C1)N(CCO)Cc1ccccc1 1857741492 VLVFVRBPXVFLTM-HNNXBMFYSA-N 299.374 1.467 0 50 CDAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)CCc1cnc[nH]1 910204752 IYWYAJQUFNOSBS-CYBMUJFWSA-N 289.291 1.146 0 50 CDAA CCOCC(=O)N1CCOc2ccccc2[C@@H]1C(=O)O 911057134 KSRVEMIQIWFPSZ-CYBMUJFWSA-N 279.292 1.070 0 50 CDAA Cc1noc(COC2CN(C(=O)/C=C3\CC[C@@H](C)C3)C2)n1 818660492 WHMRDNJFIQXCTH-HAAVITCDSA-N 291.351 1.852 0 50 CDAA Fc1cncc(F)c1CN[C@@H]1CCO[C@H]1c1cc[nH]n1 931112544 ZALLEROUZJZLOX-DGCLKSJQSA-N 280.278 1.703 0 50 CDAA CSCC[C@H](O)C(=O)N(C)Cc1c(C)noc1C 220214601 JHIPVSRVKUTLHX-NSHDSACASA-N 272.370 1.364 0 50 CDAA c1ncc(CN2CCC(C3CCNCC3)CC2)cn1 257679518 GOHNDOMKWFCCPL-UHFFFAOYSA-N 260.385 1.688 0 50 CDAA O=C(NC1(CO)CC1)c1cc2ccccc2cc1O 179975018 MPLGRVZDWNLKMM-UHFFFAOYSA-N 257.289 1.800 0 50 CDAA CC(=O)Nc1nc(C(=O)N2CC[C@@H](O)C2(C)C)cs1 311791305 JGNBEYAXQNVJIO-SECBINFHSA-N 283.353 1.087 0 50 CDAA CCn1cc(C2CCN(Cc3cn(C)nn3)CC2)cn1 328637276 CSTKQQLALWCICB-UHFFFAOYSA-N 274.372 1.411 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@H]21 426582766 HANZRDKDOOSUDF-WDNDVIMCSA-N 271.316 1.190 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@](O)(C(=N)O)C2)co1 334178263 AEHZNFSPWWOYPL-LBPRGKRZSA-N 252.270 1.090 0 50 CDAA COC(=O)[C@@H]1CCN(C(=O)c2ccc3ccn(C)c3n2)C1 2100534417 HIIJRESKSZQTGA-LLVKDONJSA-N 287.319 1.208 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CCCN(CC(=O)O)CC1 126879304 NCYMXMPJLRTHRH-UHFFFAOYSA-N 294.326 1.367 0 50 CDAA Cc1ccc(OCc2nc(N)nc(N(C)C)n2)cc1C 39246 OOOFOYGLLFEMNK-UHFFFAOYSA-N 273.340 1.716 0 50 CDAA COCc1cc(NC(=O)N[C@H]2CCOC(C)(C)C2)ncn1 133805023 XZCYEBBXJGMWPX-JTQLQIEISA-N 294.355 1.702 0 50 CDAA C[C@H](CC(=O)O)CC(=O)Nc1cccc(C(=O)O)c1 206522 LEYSDBSGLBYLMJ-QMMMGPOBSA-N 265.265 1.824 0 50 CDAA O=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CC1 218514 OIEVZPCWXQCXSO-UHFFFAOYSA-N 280.711 1.344 0 50 CDAA CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5 402954 WVLOADHCBXTIJK-YNHQPCIGSA-N 285.343 1.630 0 50 CDAA fda CC1CCN(c2nc(Cl)nc(NC(C)(C)CO)n2)CC1 758966 YOUXJQBSGWLJJX-UHFFFAOYSA-N 299.806 1.944 0 50 CDAA CSCC[C@H](NC(=O)c1ccccc1)C(N)=O 1640066 NBLKELFQDXBKFY-JTQLQIEISA-N 252.339 1.023 0 50 CDAA Cn1cnc2nc(N3CCO[C@@H](c4ccccn4)C3)ncc21 2356136989 DUAWTKGNAYTDCL-CYBMUJFWSA-N 296.334 1.336 0 50 CDAA O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@H]2C=CC=C[C@H]12 2294571 VJTVHSXUMUZJAO-RYUDHWBXSA-N 283.283 1.437 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)c2cccnc2N(C)C)CC1 2356146471 HXIKTTCPIVNYQR-HAQNSBGRSA-N 277.368 1.835 0 50 CDAA CC(C)C[C@@H]1C[C@@](C)(C(=O)CNc2nncs2)OC1=O 2828623 MYHRNAIZIKEEDA-RNCFNFMXSA-N 297.380 1.887 0 50 CDAA CCCSCC(=O)N[C@H](CO)Cc1ccccn1 225466436 NUCPBIDTXGLMRG-LBPRGKRZSA-N 268.382 1.244 0 50 CDAA O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 3886868 UYVXUYVAIIWBSW-ZCFIWIBFSA-N 295.769 1.639 0 50 CDAA CCCCn1nnc(NC(=O)Cc2ccccc2)n1 9226405 ZLNAPUCIPDKRAO-UHFFFAOYSA-N 259.313 1.654 0 50 CDAA NC[C@@H]1Cc2cc(F)cc(-c3cnn4cccnc34)c2O1 67855875 SDVGYNZVWJVUGH-NSHDSACASA-N 284.294 1.798 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(F)cc2)[C@H]2C=C[C@H]1O2 239309131 HFFOVZSEJHRHBK-DDHJBXDOSA-N 277.251 1.418 0 50 CDAA CC(C)=C(F)C(=O)N1CCO[C@](C)(c2cnn(C)c2)C1 128129222 DQHFKXHDKMFQBA-AWEZNQCLSA-N 281.331 1.758 0 50 CDAA COc1ccc(-n2cnnc2-c2[nH]cnc2C)cc1 67771249 URMZFCXQWXYIRW-UHFFFAOYSA-N 255.281 1.974 0 50 CDAA COCc1cccc(CNC(=O)[C@@H]2CCC(=O)N2C)c1 354352441 PNIHUBDBRRFXLQ-ZDUSSCGKSA-N 276.336 1.070 0 50 CDAA C[C@@H](CN1CCOCC1)N(C)C[C@H]1CCc2nccn2C1 328645670 SGJLICANBTWKAK-LSDHHAIUSA-N 292.427 1.098 0 50 CDAA Cc1nc([C@@H](C)N(C)C(=O)c2ncn[nH]2)c(C)s1 67856409 ONYQYAXLSFUTKK-ZCFIWIBFSA-N 265.342 1.711 0 50 CDAA O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 316133 PXQKZODPLQMBLN-NEPJUHHUSA-N 284.315 1.701 0 50 CDAA biogenic Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCC(=O)N(C)C1 121733281 HFTTZCQCQWWTIV-LLVKDONJSA-N 280.755 1.999 0 50 CDAA C[C@@](CO)(NC[C@@H]1CCOC1)c1cccc(O)c1 330870230 ZIHJETXUHFZPCA-FZMZJTMJSA-N 251.326 1.226 0 50 CDAA CCc1ncc(NC(=O)c2cccnc2S)cn1 127142764 LUHDGNYNXNJNET-UHFFFAOYSA-N 260.322 1.975 0 50 CDAA Cc1c(C(=O)N2CCN[C@@H](C)C2)cnn1C(C)(C)C 155004688 OQSNOWJMRWKICE-JTQLQIEISA-N 264.373 1.380 0 50 CDAA O=c1cc(CNc2nccc(CCC(F)(F)F)n2)nc[nH]1 71755453 OCXHQCWBUDHMEX-UHFFFAOYSA-N 299.256 1.667 0 50 CDAA CCN(C)c1cc(N[C@@H]2CCC[C@H]2N(C)C)ncn1 1704355485 OKSJMRMFLLZRDO-VXGBXAGGSA-N 263.389 1.827 0 50 CDAA O=C1NCCN1[C@@H]1CCCN(Cc2ncc(C3CC3)o2)C1 366893892 CGAHYDKGLHHACL-GFCCVEGCSA-N 290.367 1.542 0 50 CDAA COc1coc(CN2CCO[C@H](C(F)(F)F)C2)cc1=O 71749853 DITKRMNUDHDENQ-NSHDSACASA-N 293.241 1.412 0 50 CDAA CN1CCN(C(=O)c2ccccc2C(=O)c2ncc[nH]2)CC1 71771827 QTMFNYGUHFJHPG-UHFFFAOYSA-N 298.346 1.028 0 50 CDAA C[C@H](NC(=O)N1CC(F)(F)C[C@@H]1CO)c1cccnc1 372577072 WSWRNETUKAENNT-GXSJLCMTSA-N 285.294 1.554 0 50 CDAA O=C(O)C[C@@H](NC(=O)[C@H]1CCOC1)c1ccc(F)cc1 238150050 BFYJDPYFKKJGBJ-CMPLNLGQSA-N 281.283 1.494 0 50 CDAA COc1ccc(Cc2ncc(C(=O)O)c(=O)[nH]2)cc1 36719693 DWODASUWERRBEK-UHFFFAOYSA-N 260.249 1.068 0 50 CDAA CCS(=O)(=O)CC(=O)N1CC[C@@H](Cc2ccccc2)C1 126205979 REIDESNTCBLWSX-AWEZNQCLSA-N 295.404 1.512 0 50 CDAA Cc1nc(C)n(C[C@H]2CCCN2C(=O)C2=CCCCO2)n1 374097695 TXBZFHKHRCXMGL-CYBMUJFWSA-N 290.367 1.580 0 50 CDAA C[C@H](CN1C(=O)NC2(CCNCC2)C1=O)c1ccccc1 77424313 JIDDORKRSMCXES-GFCCVEGCSA-N 287.363 1.464 0 50 CDAA CCN(CC(=O)O)C1CC(NC(=O)c2ccoc2C)C1 262784645 JNXIUHYZESKWDP-UHFFFAOYSA-N 280.324 1.255 0 50 CDAA CCc1ncc(CNC(=O)[C@H]2COc3ccccc3O2)o1 456523765 SRSDIBVRGSOEKY-CYBMUJFWSA-N 288.303 1.693 0 50 CDAA Cn1cc(CCCNC(=O)Cc2cccnc2)cn1 223589176 FJKYTUVKRMTGJB-UHFFFAOYSA-N 258.325 1.107 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@@H]2CCCC[C@H]2O)CC1 49882561 HPEUFZJDMPYRGN-CHWSQXEVSA-N 284.400 1.843 0 50 CDAA Cc1nc(C)c(S(=O)(=O)N(C)c2cnn(C)c2)s1 176935420 IPUSXUDQCJDIEU-UHFFFAOYSA-N 286.382 1.319 0 50 CDAA CSCC(=O)N1CC[C@H](n2nc(C)cc2C)C1 223141743 GEYRUURJSTVYIV-NSHDSACASA-N 253.371 1.636 0 50 CDAA O=C(N[C@]1(CO)COc2ccccc2C1)[C@@H]1CC=CCC1 529819507 JBZDEPIECUYLPZ-CXAGYDPISA-N 287.359 1.825 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)[C@@H](C)n1ccnc1C 426387067 JBJRWQJHYXRFMQ-SNVBAGLBSA-N 280.372 1.174 0 50 CDAA CNc1ncccc1C(=O)NC1(C(=O)O)CCCC1 426584018 MBWGLONHVSNVKH-UHFFFAOYSA-N 263.297 1.251 0 50 CDAA CCc1c(C)nn(CCNC(=O)[C@@H](C)n2cccn2)c1C 426494682 UQFDMOBOTACISF-CYBMUJFWSA-N 289.383 1.636 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC[C@@H](C(=O)O)C1 426412598 AATLJUGDLYFNHU-NWDGAFQWSA-N 293.367 1.576 0 50 CDAA COCCN(Cc1ccccc1F)C(=O)[C@@H](C)N(C)C 426523320 BXFUSVCBAQAREG-GFCCVEGCSA-N 282.359 1.751 0 50 CDAA Cc1nn(C)c(C(=O)NCC[C@H]2CCCOC2)c1Cl 426521163 DXMGFJGYMYOONO-SNVBAGLBSA-N 285.775 1.928 0 50 CDAA Cc1cnn([C@H](C)C(=O)N(C)Cc2cnccn2)c1 221441371 LLOIFJWOEMYARE-LLVKDONJSA-N 259.313 1.201 0 50 CDAA Cc1ccccc1-n1c(CN)nnc1SCCO 426548368 AVFLBYQMOUUOSL-UHFFFAOYSA-N 264.354 1.119 0 50 CDAA CO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 336087145 WKOSGGXEVNCEGT-ZETCQYMHSA-N 281.786 1.811 0 50 CDAA O=C(NC[C@H]1CNC(=O)O1)OCc1ccccc1 148675499 CIMOMVDNFMVGGV-JTQLQIEISA-N 250.254 1.021 0 50 CDAA CC(C)n1cc(NC(=O)N2CCCC[C@H]2CO)nn1 95527134 UWPMDRQWLNJVFU-JTQLQIEISA-N 267.333 1.238 0 50 CDAA CCc1nc(C)c(CNC(=O)Cn2ccccc2=O)s1 426509344 HYJUBEJULTYXFY-UHFFFAOYSA-N 291.376 1.492 0 50 CDAA CC(C)c1nc(CCN(C)C(=O)[C@H](C)n2ccnc2)no1 426674380 UVKHLYUYUBCCEF-NSHDSACASA-N 291.355 1.652 0 50 CDAA CC[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1nc(C)no1 92028120 BLIUPRKXXXKNOR-SNVBAGLBSA-N 290.323 1.564 0 50 CDAA Cc1ncnc(NCCN2CCC[C@H](CO)C2)c1C 91657060 LKKXTIFACNRFFM-ZDUSSCGKSA-N 264.373 1.210 0 50 CDAA C[C@H]1CN(c2ncnc3cccc(F)c23)CC(=O)N1 295643106 CIDMXOPBVYOXMC-QMMMGPOBSA-N 260.272 1.094 0 50 CDAA CC(C)c1ncc(Cl)c(C(=O)N2CC(=O)N[C@H](C)C2)n1 295795748 AUFQWZOJWIQCTJ-MRVPVSSYSA-N 296.758 1.214 0 50 CDAA CCc1nnc(CN(C)C(=O)[C@@H](CC)n2cccn2)o1 91547758 QRECBJUGRNAENF-SNVBAGLBSA-N 277.328 1.438 0 50 CDAA Nc1cc(I)c2nccn2c1 95836448 YDNFELKVMHRGCJ-UHFFFAOYSA-N 259.050 1.521 0 50 CDAA Fc1cnccc1N1CCC(CN2CCOCC2)CC1 96139725 SLLPEIJVODYUKK-UHFFFAOYSA-N 279.359 1.769 0 50 CDAA Cc1cnc(CNC(=O)c2cn3ccsc3n2)cn1 91943474 NGYGENAYKPVAHI-UHFFFAOYSA-N 273.321 1.424 0 50 CDAA Oc1cc(CCc2nc(C3CCOCC3)n[nH]2)on1 97547835 DVFMOEJOABMTMM-UHFFFAOYSA-N 264.285 1.178 0 50 CDAA CC(=O)c1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)s1 334144123 WEUHGRHLTLMTGU-SNVBAGLBSA-N 289.360 1.961 0 50 CDAA CCn1cc(CN(C)c2ncnc3[nH]ccc23)cn1 522240948 QYDWFDXPRUJWPQ-UHFFFAOYSA-N 256.313 1.811 0 50 CDAA CCS(=O)(=O)CC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 183825809 GEHACRNMPGIHPC-SRVKXCTJSA-N 273.398 1.458 0 50 CDAA Cc1noc(C)c1CN(C)CC(=O)Nc1ccn(C)n1 252494855 OGQQBIQEURMGKS-UHFFFAOYSA-N 277.328 1.095 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 268891277 IRKPZELRABEECM-NEPJUHHUSA-N 277.295 1.694 0 50 CDAA C[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]([C@@H]41)[C@H]2n1c(=O)n(-c2ccccc2)c(=O)n1[C@@H]35 253589948 AOQAVNNTXFWYRQ-HCGJRWJYSA-N 293.326 1.038 0 50 CDAA Oc1cc(CNCc2noc3c2CCCC3)ccn1 864087197 NUQISARAMDEYSD-UHFFFAOYSA-N 259.309 1.944 0 50 CDAA Cc1cnc(CN2CCN(c3ncccn3)CC2)c(C)c1O 253537139 ZGDJMBLRZGLUQH-UHFFFAOYSA-N 299.378 1.516 0 50 CDAA C[C@@H](C(=O)NCCn1ccnn1)N(C)C1CCCCC1 534655987 VSJNCYGVHGKFHM-LBPRGKRZSA-N 279.388 1.047 0 50 CDAA Cc1[nH]c2ccccc2c1CC(=O)NCc1nc(O)n[nH]1 358361884 UXMJQVVLBLMPFG-UHFFFAOYSA-N 285.307 1.159 0 50 CDAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)[C@H]1C=CCN1 534670171 MSAOOMGUUFUREI-LLVKDONJSA-N 288.376 1.625 0 50 CDAA COc1ncc[nH]c1=N[C@H]1CCCN(Cc2cccnc2)C1 534661880 PRMTWEISWXVXEA-AWEZNQCLSA-N 299.378 1.379 0 50 CDAA CN(C)CC[C@@H](NS(=O)(=O)C1CC1)c1ccccc1 534581472 NISWDQNHTPSHLX-CQSZACIVSA-N 282.409 1.761 0 50 CDAA CNC(=O)[C@H](NC(=O)C1(COC)CCC1)c1ccccc1 299780407 CHWBSYAMLUPSSY-CYBMUJFWSA-N 290.363 1.407 0 50 CDAA Cc1nccn1[C@H](C)CC(=O)N1CCSCC1 299773048 CDEKVQGLNVVELC-SNVBAGLBSA-N 253.371 1.718 0 50 CDAA Cc1csc(CCCNC(=O)c2cc(CO)ccn2)n1 299792407 FPBNOUSQSMLXQI-UHFFFAOYSA-N 291.376 1.701 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccnn1CC1CC1 299762130 LAFOTJXWEAGENO-RYUDHWBXSA-N 294.355 1.219 0 50 CDAA CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](O)CC2 828636773 SPILFJDDRWJHHV-ZDUSSCGKSA-N 299.374 1.542 0 50 CDAA O=C(C1CCCC1)N1CCN(CC2CC2)[C@H](CCO)C1 584904049 RFWDFTWCQZPAQB-OAHLLOKOSA-N 280.412 1.482 0 50 CDAA C[C@H]1CN(Cc2nc(Br)nn2C)C[C@H](C)O1 585136677 PFCZKJRUNAEWAK-YUMQZZPRSA-N 289.177 1.187 0 50 CDAA Cc1cc(C)n(C[C@@H](C)n2cnc3ccncc3c2=O)n1 584899675 SYBUDDSDHYIMKG-GFCCVEGCSA-N 283.335 1.866 0 50 CDAA CCc1csc(CCN[C@H](C)CN2CCOCC2)n1 584896519 NXUYYOZVYSIHEN-GFCCVEGCSA-N 283.441 1.558 0 50 CDAA COCCCn1cnnc1CNC1Cc2ccccc2C1 584884525 BSJLNSHOGMHGTA-UHFFFAOYSA-N 286.379 1.572 0 50 CDAA COCCN1CCC[C@@H](CN(C)c2ncc(Cl)cn2)C1 670458299 IEJNRIGMVNRGIH-LBPRGKRZSA-N 298.818 1.925 0 50 CDAA CN1C(=O)CCC12CCN([C@H]1CCSC1)CC2 670462996 WJYZWFJQQAELNQ-NSHDSACASA-N 254.399 1.579 0 50 CDAA COc1ccc([C@H](C)NC(=O)[C@H]2CCCC(=O)N2)cc1 270205945 DCIROEJVZMHFGQ-GXFFZTMASA-N 276.336 1.541 0 50 CDAA COc1ccnc(CN(C)Cc2cn(C)nc2C)c1OC 670456416 LJTCOVISDIPSHG-UHFFFAOYSA-N 290.367 1.773 0 50 CDAA CN(CCC[C@@H]1CCCO1)C(=O)NCc1cc[nH]n1 670447990 XMWWRLJYFZKPLE-GFCCVEGCSA-N 266.345 1.510 0 50 CDAA COC(=O)c1cc(Br)c2c(c1)CNCCO2 950756054 GSFCMWQNWDFOOO-UHFFFAOYSA-N 286.125 1.718 0 50 CDAA O=C(CO[C@@H]1CCNC1)Nc1c[nH]nc1-c1ccccc1 1875281043 MSSAAVNMQUIZNR-GFCCVEGCSA-N 286.335 1.394 0 50 CDAA O=C(/C=C/c1ccncc1)NCc1nc(C(F)(F)F)n[nH]1 1875262624 RLXVYRBXBIFQBG-OWOJBTEDSA-N 297.240 1.548 0 50 CDAA O=C(O)C1CCN(C(=O)[C@@H]2CCCc3ncccc32)CC1 1875293445 QPYNHQAYBPITBZ-CYBMUJFWSA-N 288.347 1.825 0 50 CDAA COc1cccc(NC(=O)N[C@@H]2CCc3nccn3C2)n1 952995662 UFFQYFHISUFYDM-SNVBAGLBSA-N 287.323 1.423 0 50 CDAA Cc1cccc(CNCCN2CCC[C@@H](CO)C2)n1 952975073 NWRSFECDFSVAGA-CQSZACIVSA-N 263.385 1.184 0 50 CDAA CC[C@H](COC)N[C@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 886035272 OOKVZAGUXTZJBR-WOPDTQHZSA-N 296.333 1.943 0 50 CDAA O=C(c1ccc(N2CCSCC2)nc1)N1CCOCC1 881814541 IDOUBADYUGIGJZ-UHFFFAOYSA-N 293.392 1.107 0 50 CDAA CN1CCCC[C@@H](C(=O)Nc2ncc3ccccn23)C1=O 1775997832 MYCGOWRXLYOZSG-LBPRGKRZSA-N 286.335 1.531 0 50 CDAA O=C1NCc2ccc(C(=O)N3CCC[C@@H](F)C3)cc2N1 1776006142 MWYPWTFQVQPGQM-LLVKDONJSA-N 277.299 1.896 0 50 CDAA C=CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1335859594 BZGFPKXCOSMAGS-SNVBAGLBSA-N 282.365 1.300 0 50 CDAA CO[C@H]1CCOC[C@@H]1n1cnc2c(C)cc(C)cc2c1=O 1565515981 UFFFHEPGBZJHPB-KBPBESRZSA-N 288.347 1.990 0 50 CDAA CCc1cc(N2CCC(C)(C)S(=O)(=O)CC2)nc(C)n1 278183258 BSTDVGWDUOJPLS-UHFFFAOYSA-N 297.424 1.751 0 50 CDAA COC[C@H]1[C@@H](NC(=O)Cc2ccc(O)cc2)[C@H]2CCO[C@H]21 1074585903 HVEYGSLLBDUVSL-BFJAYTPKSA-N 291.347 1.101 0 50 CDAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1Nc1cc(C2CC2)ncn1 1074623057 VXODSQOLEOPWAY-PUPMMZHASA-N 274.368 1.483 0 50 CDAA CN1CCC(COc2cnc(Br)nc2)CC1 95742764 ODGGBWNOLRXLKZ-UHFFFAOYSA-N 286.173 1.960 0 50 CDAA in-vitro NC(=O)c1ccc(Br)nc1Br 95830467 HOEIBCGSMFYTCT-UHFFFAOYSA-N 279.919 1.706 0 50 CDAA in-vitro O=C(NCC(=O)N1CCC[C@H]2C[C@H]21)c1ccc(F)cc1 585082303 ZVGCLUDXQRMFJR-WCQYABFASA-N 276.311 1.566 0 50 CDAA COC(=O)c1ccc(CN(C)C(=O)Cc2ccoc2)nc1 585130169 JUIDWGPLWCVSSW-UHFFFAOYSA-N 288.303 1.662 0 50 CDAA COC(=O)C1(C(=O)N2C[C@@H](C)Oc3ncccc32)CC1 189068898 GBNDWDLPGWBRLU-SECBINFHSA-N 276.292 1.149 0 50 CDAA CN(C)[C@H]1CCN(C(=O)c2ccc3c(O)ncnc3c2)C1 639674495 ZHFMLZXRTQSEJP-NSHDSACASA-N 286.335 1.112 0 50 CDAA O=C1CCC[C@@H](C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)N1 408517432 IYUYLHGSQZALQD-IHRRRGAJSA-N 278.396 1.988 0 50 CDAA COc1cccc(CN2CC[C@H](C(=O)O)[C@H](C)C2)n1 306011399 IDABBBIVZIOXOV-PWSUYJOCSA-N 264.325 1.633 0 50 CDAA CN1CC[C@H](NC(=O)c2ccc3ncccc3c2)CC1=O 190139204 OLAGZIQFELXROC-ZDUSSCGKSA-N 283.331 1.585 0 50 CDAA CSC[C@@H](C)C(=O)Nc1ccc2ncnn2c1 411100399 ROVYKYXRNYFAOP-MRVPVSSYSA-N 250.327 1.667 0 50 CDAA CC[C@H](CO)NC(=O)NCc1c(Cl)cccc1OC 190751247 JLEMKUQKWWVJRI-SECBINFHSA-N 286.759 1.919 0 50 CDAA CCO[C@@H]1C[C@H](NCc2cncnc2OC)C12CCC2 647186368 KQGBJVMNQKTARV-QWHCGFSZSA-N 277.368 1.923 0 50 CDAA O=C(Nc1nncs1)[C@@H]1CCCN(CC(F)(F)F)C1 193763267 NDVHZUKEZQMOBI-SSDOTTSWSA-N 294.302 1.751 0 50 CDAA C[C@@H]1CCCN(c2ccc(S(C)(=O)=O)c(N)c2)C1 15443369 CEULTGNUOMOFLX-SNVBAGLBSA-N 268.382 1.909 0 50 CDAA CCc1cc(NCc2nc(O)n[nH]2)nc(N2CCCC2)n1 1506424974 AFFYDBWUGFTORN-UHFFFAOYSA-N 289.343 1.075 0 50 CDAA CC[C@H](C)CC(=O)N1CCN([C@@H](C)CC(=O)O)CC1 630220055 LNHLIYIGUBUWTI-RYUDHWBXSA-N 270.373 1.430 0 50 CDAA Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 6415235 JLDGLXVIVJDWIP-UHFFFAOYSA-N 283.744 1.771 0 50 CDAA COCCC1(NC(=O)c2nc(C)oc2C)CCC1 331825527 XBPLMXINHWKXEC-UHFFFAOYSA-N 252.314 1.980 0 50 CDAA CCC(C)(C)N1CCN(c2ccnc(N(C)C)n2)CC1 656214855 IQGNSEMTRNMFEC-UHFFFAOYSA-N 277.416 1.853 0 50 CDAA O=C(NCC1(C(=O)O)CCC1)c1ccc(CO)cc1 138515410 PQBUYEDBCLKTPV-UHFFFAOYSA-N 263.293 1.164 0 50 CDAA O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)c1cccc(O)c1 1704278154 BLLMGWZWPSYDLA-GDBMZVCRSA-N 298.342 1.775 0 50 CDAA C[C@@H](N)C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 158545280 YXDCUGDYVDXCDE-BXKDBHETSA-N 268.744 1.587 0 50 CDAA CCCn1nnc(NC(=O)c2ccc(Cl)cc2)n1 470499 BHFLXVHWGZQFTE-UHFFFAOYSA-N 265.704 1.989 0 50 CDAA CCN(C[C@H](O)CS(=O)(=O)O)c1cccc(C)c1 2168440 ZTQGWROHRVYSPW-LBPRGKRZSA-N 273.354 1.070 0 50 CDAA in-vitro CN(CC[C@@H]1COCCO1)Cc1n[nH]c2c1CCCCC2 1775981896 KDFPSDKLWXTPAL-CYBMUJFWSA-N 293.411 1.916 0 50 CDAA Cn1ccc(C2CCN(c3ncc(F)cn3)CC2)cc1=O 1772814739 QQOXMXPHEBRDLI-UHFFFAOYSA-N 288.326 1.698 0 50 CDAA O=C(O)/C=C/C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 12403785 IGZFIIDMMGWAHE-BQYQJAHWSA-N 288.303 1.502 0 50 CDAA COc1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1 19595036 CCGHVAGELGVBQD-MJBXVCDLSA-N 295.379 1.544 0 50 CDAA CCOc1cc(S(=O)(=O)n2cccn2)ccc1F 4988164 JOUSTRVFBUELCH-UHFFFAOYSA-N 270.285 1.658 0 50 CDAA COc1cc(OC)nc(NCCCn2nc(C)cc2C)n1 158166734 LKEKACSHNDNOTP-UHFFFAOYSA-N 291.355 1.809 0 50 CDAA O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)ccc2c1 1669723 FITZJYAVATZPMJ-UHFFFAOYSA-N 288.302 1.333 0 50 CDAA in-vivo CN(C)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2 2328343 DYYXJLQAQYUAFV-FNORWQNLSA-N 276.336 1.496 0 50 CDAA O=C(c1cscn1)N1CC[C@H]2[C@@H]1CC(=O)N2C1CCC1 1857686282 OYVINVSLQZTSFY-RYUDHWBXSA-N 291.376 1.511 0 50 CDAA O=C(NCc1cccnc1)C(=O)Nc1ccc(F)cc1F 4304262 ZLEATCFRJNGGFI-UHFFFAOYSA-N 291.257 1.615 0 50 CDAA O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CCC[C@H](O)C1 305110747 HFUZIKSKCMSUSU-OLZOCXBDSA-N 282.384 1.645 0 50 CDAA O=C(NCC1(N2CCCCC2)CCOCC1)c1cn[nH]c1 111102527 SBUPHWBNXVVARK-UHFFFAOYSA-N 292.383 1.175 0 50 CDAA COc1ccc(CCC(=O)N2C[C@@H](F)C[C@H]2CO)cc1 347437015 LCOHGACICCCLBK-STQMWFEESA-N 281.327 1.559 0 50 CDAA CCOc1cccc(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)c1 585121923 GHQFWKTVQWXFEP-CZUORRHYSA-N 292.379 1.157 0 50 CDAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CCNC(C)C)CC2 161890337 CFVXIRSNAVAVEC-UONOGXRCSA-N 298.427 1.153 0 50 CDAA CN(CC1CC1)c1nnc([C@H]2CCc3n[nH]cc3C2)n1C 1650279819 XPRGICNWVWFWEW-NSHDSACASA-N 286.383 1.657 0 50 CDAA CNc1ccc(C)cc1CNC[C@@H]1CCCS(=O)(=O)C1 902561154 RPBCTTVAMHIPQK-ZDUSSCGKSA-N 296.436 1.951 0 50 CDAA CN1CCC[C@]2(CO)CCN(CCCn3cccn3)C[C@@H]12 1704298865 KUMXRKSGOUULEI-HZPDHXFCSA-N 292.427 1.052 0 50 CDAA Cc1ccc(F)cc1C(=O)N1C[C@H]2COC[C@@H](C1)CN2C 1704315952 GBUGHRXTENEKIF-OCCSQVGLSA-N 292.354 1.537 0 50 CDAA COc1ccc([C@@H]2CCCN2CCN2CCNC2=O)nc1 934340744 UJQBLZDEFRRIIS-AWEZNQCLSA-N 290.367 1.252 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1ccc(C)c(OC)c1C 858407523 CWPWSESELLINPF-UHFFFAOYSA-N 276.336 1.895 0 50 CDAA C[C@@H]1CCCCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 229234250 NQOKBUSNDVTFFM-IUODEOHRSA-N 297.420 1.998 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cccn1 252338876 IYXPHCMVVROUIM-UTUOFQBUSA-N 277.324 1.127 0 50 CDAA COC[C@@H](C)C(=O)Nc1ccc(C(=O)O)c(C)c1 237159304 WTPKEECVQQIVRD-SECBINFHSA-N 251.282 1.914 0 50 CDAA COc1cc2[nH]c(=O)oc(=O)c2cc1Br 238399207 SLROETCLRZEZHV-UHFFFAOYSA-N 272.054 1.252 0 50 CDAA COC[C@H](C)CC(=O)N1C[C@H](C(=O)O)CC[C@H]1C 263533664 XZAQIBSZPBGTOR-GMTAPVOTSA-N 257.330 1.371 0 50 CDAA C[C@@H](C(=O)O)N1CCO[C@H](c2ccccc2F)C1 265281010 XIKFJNHWAZXJMB-CABZTGNLSA-N 253.273 1.672 0 50 CDAA C[C@@H](O)C[C@@H]1CCCCN1C(=O)Cc1cnn(C)c1 279764662 MFZYDZLNRFUWLS-YPMHNXCESA-N 265.357 1.115 0 50 CDAA C[C@H](CC1CC1)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 307855515 DBDCWQWPFAEJAQ-RTXFEEFZSA-N 284.400 1.745 0 50 CDAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H]1c1ccccn1 72436550 FLTUOWUDAUEWQV-GFCCVEGCSA-N 270.292 1.142 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](O)CO1 310772049 UKQRIPGDVZKXJE-JTQLQIEISA-N 271.700 1.162 0 50 CDAA C[C@H](O)CCc1cn(Cc2cncc(F)c2)nn1 641073102 MGLMJZBTXJUOND-VIFPVBQESA-N 250.277 1.174 0 50 CDAA CCc1cnc(N)nc1N[C@@H](CO)Cc1ccccc1 92062010 XPKRNJOTGUHDCW-CYBMUJFWSA-N 272.352 1.637 0 50 CDAA O=S(=O)(N1CCCCC1)N1CCC[C@@H](c2cc[nH]n2)C1 368923394 SRBPFXIZEUNZBV-GFCCVEGCSA-N 298.412 1.320 0 50 CDAA OCC1(CN2CCC([C@H]3CCCOC3)CC2)COC1 374725248 FCPONKOQNYMFJG-AWEZNQCLSA-N 269.385 1.134 0 50 CDAA Cn1cc([C@@H]2CCCN2c2cccc(C(=O)O)n2)cn1 381182617 QHYQNYXIXOBTMX-LBPRGKRZSA-N 272.308 1.855 0 50 CDAA C[C@H](O)c1nc([C@H](C)O)n(CC(=O)c2ccccc2)n1 5368914 WYKYTEYANTXFOW-UWVGGRQHSA-N 275.308 1.268 0 50 CDAA CN(C(=O)c1ccc(=N)[nH]c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100483421 SKBAVXCKZCVPIA-MPZDIEGVSA-N 275.352 1.116 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1C[C@@]23CCC[C@]2(COC3)C1 2325827338 CLWSYOFFSPXDGX-USXIJHARSA-N 286.375 1.716 0 50 CDAA COc1ccc2[nH]ccc(=NC[C@@H]3C[C@@H](O)CN3C)c2c1 895233761 IMHBCCAFFYXAKL-NWDGAFQWSA-N 287.363 1.142 0 50 CDAA CC(C)=CC(=O)Nc1ccc(S(N)(=O)=O)cc1 145677 BNWFFWSRALBETM-UHFFFAOYSA-N 254.311 1.239 0 50 CDAA O=C(O)CCC(=O)Nc1ccc(Br)cn1 187925 XFYYQDHEDOXWGA-UHFFFAOYSA-N 273.086 1.647 0 50 CDAA in-vivo O=S1(=O)C=C[C@@H](Sc2nc3ccccc3[nH]2)C1 1232222 YPVDWYVKCLLBJZ-MRVPVSSYSA-N 266.347 1.966 0 50 CDAA Cc1ccc(C)c(NC(=O)CSc2nncc(O)n2)c1 1282162 DKAYMJFUTOTGKH-UHFFFAOYSA-N 290.348 1.925 0 50 CDAA CC(=O)N(c1cc(C)cc(C)c1)[C@@H]1C=CS(=O)(=O)C1 2871179 ZXUFYVBXECFKOX-CYBMUJFWSA-N 279.361 1.967 0 50 CDAA CCCOc1ccc(NC(=O)CSCC(N)=O)cc1 2874728 MSHJKTGHTJENFF-UHFFFAOYSA-N 282.365 1.632 0 50 CDAA Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)O 2875646 HQFKDZCDVYOGBM-UHFFFAOYSA-N 299.348 1.243 0 50 CDAA CCN1C(=O)C[C@@H](Sc2ccccc2N)C1=O 2886766 SDPFOPRNKPFYNU-SNVBAGLBSA-N 250.323 1.508 0 50 CDAA Cc1ocnc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356165508 BYISKOKEMUUTED-UONOGXRCSA-N 286.331 1.974 0 50 CDAA COC[C@@H](C)NCc1cc(OC)c2c(c1)OCO2 4997035 UMVNCRDEPAFGAI-SECBINFHSA-N 253.298 1.548 0 50 CDAA CCCCNS(=O)(=O)c1cc(F)ccc1OC 10301783 RDVFJRVTILVSRA-UHFFFAOYSA-N 261.318 1.913 0 50 CDAA C[C@@H](C(=O)NC1CCCCC1)N1CC[C@@H](CO)C1 225971785 JDMWXDXEWUJNES-NWDGAFQWSA-N 254.374 1.138 0 50 CDAA Cc1ccc(C[C@@H]2C(=O)N(CC(=O)O)C(=O)[C@@H]2C)cc1 100807308 HDUBPAHYXQMZBB-PWSUYJOCSA-N 275.304 1.243 0 50 CDAA CCCCn1c(=O)c(C(N)=O)c(O)c2ccccc21 170624588 MGJXFDDMSOLWRJ-UHFFFAOYSA-N 260.293 1.606 0 50 CDAA COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)cc1 101357006 JNKBWPHUXVLIGM-OQMKEHIESA-N 285.299 1.528 0 50 CDAA CCS[C@H](C)C[C@H]1CC(=O)CC(=O)[C@@H]1C(=O)OC 100837952 CVZKLPQJZINCBZ-VDDIYKPWSA-N 272.366 1.856 0 50 CDAA Cn1cc(CN2CCO[C@@H](Cc3ccccc3)C2)cn1 20917760 UBUFZNNKNGARLJ-INIZCTEOSA-N 271.364 1.864 0 50 CDAA CCc1cc(NC[C@@H]2COCCO2)nc(N2CCCC2)n1 65501398 ZJPLHRAZJFMAIT-CYBMUJFWSA-N 292.383 1.467 0 50 CDAA Cc1ccn(CCNC(=O)c2ccc(-n3ccnc3)cc2)n1 20540306 LFFRCNVKMQVEPE-UHFFFAOYSA-N 295.346 1.807 0 50 CDAA Cc1ccc(NC(=O)C(=O)N(C)CCC(C)(C)O)c(C)c1 67886405 DNXACTTYXGFOPR-UHFFFAOYSA-N 292.379 1.861 0 50 CDAA Cc1cnn([C@H]2CCN(c3ncnc4n[nH]cc34)C2)c1 357829919 SROHVOUSLRINAU-JTQLQIEISA-N 269.312 1.309 0 50 CDAA CCn1cc(C(=O)N2CCC[C@@]2(CO)CC(C)C)cn1 252501487 UFZYPRCMJNDNAA-HNNXBMFYSA-N 279.384 1.916 0 50 CDAA Cc1nn(Cc2ccccn2)c(C)c1[C@H]1COCCN1C 852963092 PFAPGEGTWVBSPR-OAHLLOKOSA-N 286.379 1.946 0 50 CDAA CCC[C@H](N)C(=O)N1CCC(c2n[nH]cc2CC)CC1 67833918 GOEYXOHIPZPBPK-ZDUSSCGKSA-N 278.400 1.806 0 50 CDAA COCC[C@H]1CCCCN(C(=O)CC2OCCCO2)C1 253392536 FTJDHDAXRUSNDN-CYBMUJFWSA-N 285.384 1.805 0 50 CDAA CNCCc1noc(-c2ccc(C(=O)OC)cc2)n1 34928826 MFHKQYFUUYRGKD-UHFFFAOYSA-N 261.281 1.285 0 50 CDAA CN1CC[C@H](N(C)Cc2cc3ccccc3n(C)c2=O)C1 219851698 NUDHSDPGOYZOIO-HNNXBMFYSA-N 285.391 1.674 0 50 CDAA CCN(CCC(=O)OC)C(=O)c1ccc(O)cc1F 154812644 LCSMFZXADZSWMZ-UHFFFAOYSA-N 269.272 1.557 0 50 CDAA O=C(O)c1cccc(CN2CCC[C@H](c3ncn[nH]3)C2)n1 215005171 JSCOQFSGNQICRM-JTQLQIEISA-N 287.323 1.278 0 50 CDAA CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2OC(=O)C[C@@H]21 39333220 UMDQPEMZJHAFNL-ZBVMTTPASA-N 268.353 1.796 0 50 CDAA in-vitro CC(C)c1nn(C)cc1NC(=O)NCC1(O)CCC1 331637722 UGFJASMMEYMQOM-UHFFFAOYSA-N 266.345 1.580 0 50 CDAA COCCN(Cc1scnc1C)C[C@@H]1CCNC1 435735468 NEDWLEVFJKDACQ-GFCCVEGCSA-N 269.414 1.509 0 50 CDAA CC1(C)[C@H]2CN(C(=O)c3ccc(-c4nc(=O)o[nH]4)cc3)C[C@@H]21 333316431 OXFXNBGIYQYVIU-RYUDHWBXSA-N 299.330 1.758 0 50 CDAA CCc1nc(CN2CCN(CCCC(=O)O)CC2)cs1 157874267 HADOZDOHPSVOPK-UHFFFAOYSA-N 297.424 1.688 0 50 CDAA CNC[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 237308990 LCUOTMBKUKPJBR-PSKZRQQASA-N 259.353 1.553 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)CCOC[C@@H]1CCCO1 262596173 WUHVUZONBSHXDN-NWDGAFQWSA-N 285.340 1.038 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N[C@@](C)(CC(=O)O)C(C)C 262949309 LFCRNOIZSYIBAE-AWEZNQCLSA-N 281.356 1.656 0 50 CDAA C[C@H]1CN(CCC2CCOCC2)CC[S@@](=O)C1 334709931 CWTYVYHRCOHBGA-YVEFUNNKSA-N 259.415 1.504 0 50 CDAA CN1C(=O)NCC12CCN(C[C@@H]1CCCCO1)CC2 335118701 KLDDEYMGCTYKOA-LBPRGKRZSA-N 267.373 1.045 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)c1cccc(C(C)=O)c1 219812053 VBFRWILSYVDOOS-SNVBAGLBSA-N 286.335 1.992 0 50 CDAA Cc1nc2ccccc2cc1C(=O)N1CC[C@H](N)C1 132543411 CXHXBMULWBZYHC-LBPRGKRZSA-N 255.321 1.716 0 50 CDAA COC[C@@H](C)Nc1nc(-c2cccnc2)nc2c1CCNC2 71682148 ZCKTYGRHFWEHPE-LLVKDONJSA-N 299.378 1.631 0 50 CDAA CCNC(=O)C[C@@H]1CCCCN1Cc1cccnc1 284881695 SYUIJHVAGPJPRS-AWEZNQCLSA-N 261.369 1.962 0 50 CDAA CCNC(=O)N1CC[C@@H](NC(=O)c2occc2C(C)C)C1 285275112 MYZAXSXKNFNPLH-LLVKDONJSA-N 293.367 1.937 0 50 CDAA Cc1nc(CCCNC(=O)CN2CCOCC2)sc1C 223034445 HYMWPSYNRUBDBG-UHFFFAOYSA-N 297.424 1.141 0 50 CDAA Cc1ccc(CN2CCN3CCN(C)C[C@H]3C2)c(F)c1F 225335003 TWXDKUVFEPVCRL-AWEZNQCLSA-N 295.377 1.705 0 50 CDAA Cc1ccsc1C(=O)N1CCOC[C@@H](CN(C)C)C1 223583674 NGAZJZCXIKGJDP-LBPRGKRZSA-N 282.409 1.707 0 50 CDAA CCCN(CC(=O)O)C(=O)[C@@H]1CCO[C@H]1C(C)C 263420347 KZIZJPSVWHYVPT-PWSUYJOCSA-N 257.330 1.371 0 50 CDAA COC(=O)[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 45958468 PYSRDTBMFMMSDN-QMMMGPOBSA-N 276.317 1.822 0 50 CDAA COCc1nc(C)c(CNC(=O)[C@H](C)N(C)C)s1 426383691 AJSIHJCLDGNFTB-VIFPVBQESA-N 271.386 1.164 0 50 CDAA CN1C[C@H]2CN(C(=O)c3ccccc3OC3CC3)C[C@H]2C1 288216402 SLTRAQNMTHKMAL-BETUJISGSA-N 286.375 1.861 0 50 CDAA COCCC(=O)N1CCN(C2Cc3ccccc3C2)CC1 222859486 TVIJWZQIMGKBII-UHFFFAOYSA-N 288.391 1.335 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CC[C@H](CNC)C1 178968554 HVQOMXFLSOYUIE-LLVKDONJSA-N 280.343 1.906 0 50 CDAA Cc1cc(C)c(C(=O)N[C@H]2CCNC(=O)CC2)o1 616358673 TZECVRFGHILFIR-SNVBAGLBSA-N 250.298 1.295 0 50 CDAA Cc1ccccc1[C@H]1CN(C(=O)C[C@H](C)CN)CCO1 237438867 PAMUQYUAYSVJRF-SWLSCSKDSA-N 276.380 1.880 0 50 CDAA COCc1noc(Cn2c(C)cc(=O)c3ccccc32)n1 95368288 IKEJJIBWMNOBFR-UHFFFAOYSA-N 285.303 1.888 0 50 CDAA Cc1ncc(S(C)(=O)=O)c(N2C[C@H]3CC=CC[C@H]3C2)n1 95359650 JDJPERYRQUZVTB-TXEJJXNPSA-N 293.392 1.591 0 50 CDAA CCNc1ncc(-c2cn(CCOC(C)C)nn2)cn1 91871641 PLBSIBZZUGTJQQ-UHFFFAOYSA-N 276.344 1.592 0 50 CDAA Cc1nc(C(=O)N[C@@H]2CC23CCCCC3)c(=O)[nH]c1C 181294962 RQBMKKDECZPSSG-LLVKDONJSA-N 275.352 1.839 0 50 CDAA CCCn1ncc(C(=O)NCCn2cc(Cl)cn2)c1C 91973912 FMZNUDUMJTZZPT-UHFFFAOYSA-N 295.774 1.881 0 50 CDAA Cc1cnc(NCC2(CN3CCOCC3)CC2)nc1 95366551 LXLMRWODOFREQV-UHFFFAOYSA-N 262.357 1.309 0 50 CDAA CC(C)c1ccnc(N2CC[C@@]3(O)CCNC[C@H]3C2)n1 95386499 UAKISUYMICDWPD-WFASDCNBSA-N 276.384 1.151 0 50 CDAA O=C(CCCn1cnnn1)Nc1cccc2ncccc12 524733517 QNSFTLJJPGOZST-UHFFFAOYSA-N 282.307 1.640 0 50 CDAA CCc1cc(CN(C)CC(=O)Nc2ccn(C)n2)on1 244866401 VVMAKIFUDOSHJY-UHFFFAOYSA-N 277.328 1.041 0 50 CDAA C[C@@H]1C[C@H](NC(=O)[C@H]2CCCO2)C(=O)N1c1ccccc1 245287266 BSPXLJKFVLUUIC-KWCYVHTRSA-N 288.347 1.476 0 50 CDAA C[C@@H]1SCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[C@H]1C 343065321 JEPMTNZNMUMMLZ-PREPNJAASA-N 255.383 1.906 0 50 CDAA O=C(NCCn1ccnc1)c1cc(-c2ccccn2)[nH]n1 604418872 PGTPSSLDKRKSPR-UHFFFAOYSA-N 282.307 1.098 0 50 CDAA COc1ccc(CC(=O)N2CC[C@@H](CN)C2)c(Cl)c1 299739977 UJDWQKMABMGFJI-JTQLQIEISA-N 282.771 1.698 0 50 CDAA CCN([C@@H](C)C(=O)O)S(=O)(=O)c1sccc1Cl 864095775 BHXBPOVUWMHOBU-LURJTMIESA-N 297.785 1.885 0 50 CDAA CCCC(=O)N1CCC(NCCc2ncc[nH]2)CC1 534667428 LXYBQHHBPLVYDJ-UHFFFAOYSA-N 264.373 1.333 0 50 CDAA CC[C@@H](NC(=O)Cc1sc(C)nc1C)c1ncnn1C 534650139 XWQGMCOUKPMTNW-SNVBAGLBSA-N 293.396 1.698 0 50 CDAA CCOc1ccccc1-c1nccc(=NCC(=O)O)[nH]1 534639337 CHAORPKATNQZAN-UHFFFAOYSA-N 273.292 1.461 0 50 CDAA Cc1csc(C(C)(C)NC(=O)[C@H]2C[C@H]2C(=O)O)n1 268933074 ZDYKGYMTUQMJLO-JGVFFNPUSA-N 268.338 1.524 0 50 CDAA O=C([C@H]1CCCO1)N1CCCN(Cc2cncs2)CC1 372435706 MWNJZHHHHBIORW-CYBMUJFWSA-N 295.408 1.356 0 50 CDAA Cc1n[nH]nc1C(=O)N(C)C[C@H]1CCN(CC(C)C)C1 299761309 VAGXSTLNXPCASA-GFCCVEGCSA-N 279.388 1.163 0 50 CDAA O=C(O)c1cc(Br)nc(N2CCC2)c1 725347760 QERYCLQGQASOOL-UHFFFAOYSA-N 257.087 1.752 0 50 CDAA CC(C)Cc1cc(CNC(=O)c2cncnc2)on1 584897309 IAHNWPNUUIGDSE-UHFFFAOYSA-N 260.297 1.593 0 50 CDAA CCC[C@@H](CNc1ncc(C)c(N(C)C)n1)N(C)C 584896867 YUDCEUNFJOBJBH-LBPRGKRZSA-N 265.405 1.993 0 50 CDAA CN1CC[C@](C)(C(=O)NCC2(N(C)C)CCCCC2)C1 823754932 FNOHJTLPSUEXGZ-HNNXBMFYSA-N 281.444 1.709 0 50 CDAA Cc1cccc(C[C@H](C)NS(=O)(=O)N2CCCC2)n1 821870422 FJENLZIINIJPJU-LBPRGKRZSA-N 283.397 1.251 0 50 CDAA COc1cccc(OC)c1CC(=O)N1CC[C@H](C(=O)O)C1 269169607 HEHHNBKOBXGZRF-JTQLQIEISA-N 293.319 1.179 0 50 CDAA Cn1c([C@@H]2CCCN2C(=O)c2nc[nH]n2)nc2ccccc21 269390174 AIHDJGYDPFRNGD-LBPRGKRZSA-N 296.334 1.669 0 50 CDAA CCc1nccc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)n1 670447231 LMISDGQKYDHYPE-LBPRGKRZSA-N 286.383 1.845 0 50 CDAA CCC1(CO)CCN(C(=O)NCc2cccn2C)CC1 270779549 HCUQRBGVDVJQKF-UHFFFAOYSA-N 279.384 1.719 0 50 CDAA Cc1noc(C)c1C(=O)N1CC[C@H]([C@H](F)C(=O)O)C1 1548600452 WNNNYINDKXBPJY-WPRPVWTQSA-N 270.260 1.176 0 50 CDAA CC[C@H](C)[C@H](O)C(=O)N[C@@H]1c2ccccc2C[C@H]1O 270977719 CRTLIFSTOMASQS-VKKKGTNTSA-N 263.337 1.168 0 50 CDAA Cc1cccc([C@H](O)C(=O)N2CCc3n[nH]cc3C2)c1 1875292590 NGHSZSUEUGXSTG-AWEZNQCLSA-N 271.320 1.336 0 50 CDAA O=C(O)c1cnn(CC(=O)N2C[C@@H]3CCCCC[C@H]3C2)c1 1875286677 APKQBFVFQNKEMT-RYUDHWBXSA-N 291.351 1.620 0 50 CDAA COc1cn(C)nc1[C@H](C)Nc1ccc(NC(C)=O)cn1 1875285573 QZSHXISPUHVYEO-VIFPVBQESA-N 289.339 1.955 0 50 CDAA Cc1cnn(C2CCN(C(=O)c3ccnnc3)CC2)c1 1875253379 NZKFOLZQGJSWSG-UHFFFAOYSA-N 271.324 1.459 0 50 CDAA CS(=O)(=O)NC(=O)CCOc1ccc2ccccc2c1 1875390843 UGBPJFIOUMYIMC-UHFFFAOYSA-N 293.344 1.685 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCO)C3CCC3)n[nH]c21 1875393291 CVFHAUIOYPKJMW-ZJUUUORDSA-N 293.367 1.419 0 50 CDAA CO[C@H]1COc2ccccc2[C@@H]1NC(=O)/C=C/CN(C)C 1875377276 WRMAJEHZHTYMJP-IVRLUWICSA-N 290.363 1.369 0 50 CDAA O=C(NCc1ccccc1)NS(=O)(=O)C1CCCC1 1875328240 HLWYNYJNZUQPSP-UHFFFAOYSA-N 282.365 1.758 0 50 CDAA CO[C@@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1n[nH]c2c1CCC2 1875308769 VULZEFIODSHVIF-OTMMVIPVSA-N 275.352 1.442 0 50 CDAA COC(=O)c1cnc2c(c1)CCCN2C(=O)NCC1CC1 1875317105 OUQXMTXIGGDFKV-UHFFFAOYSA-N 289.335 1.740 0 50 CDAA O=C([C@H]1CSCCS1)N1CCC[C@@H](c2ncon2)C1 952877586 SHFDFZYBEQMHOL-NXEZZACHSA-N 299.421 1.624 0 50 CDAA CC1(NC(=O)CCCN2CCCCC2=O)CCC1 952971309 JRHQLDRGQWQEBF-UHFFFAOYSA-N 252.358 1.838 0 50 CDAA Cc1nccn1Cc1ccccc1NC(=O)[C@H]1C=CCN1 952969099 PQUBDNRLALOWLS-OAHLLOKOSA-N 282.347 1.706 0 50 CDAA COc1ccc(CC(=O)NC2(c3ccccc3)COC2)nc1 888564903 PDHGPKQXLDTUSV-UHFFFAOYSA-N 298.342 1.675 0 50 CDAA CCn1nc(C)c(CN2CCCC[C@H]2c2nc[nH]n2)n1 895196939 CWMFUEUZHXZXTI-LBPRGKRZSA-N 275.360 1.452 0 50 CDAA O[C@H]1C[C@@H](Nc2ncccc2Br)CC[C@H]1O 896969461 KOAFJSHAPASUBB-SFGNSQDASA-N 287.157 1.530 0 50 CDAA c1ccc2c(c1)OC[C@H](c1noc(CCc3cnn[nH]3)n1)O2 1775987141 CSFMZJGEZJVILK-GFCCVEGCSA-N 299.290 1.485 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)NCc1ccncc1 1775961381 WWMJFYPVJOUDRV-KRWDZBQOSA-N 297.358 1.507 0 50 CDAA O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@@]1(CO)CCCO1 1775987245 SQGLDFPNNPQLBT-HNNXBMFYSA-N 287.319 1.557 0 50 CDAA CCOC(=O)c1sc(/C=C/c2cnn[nH]2)nc1C 1775993175 CDSHDEZBGMWYTQ-SNAWJCMRSA-N 264.310 1.917 0 50 CDAA C[C@@H]1CN(c2cncc(Cl)n2)CCN1c1cnccn1 1363745419 APASBWMIDIQKDC-SNVBAGLBSA-N 290.758 1.635 0 50 CDAA O=C(NCC(F)F)c1cc(-c2ccncc2)[nH]n1 1189314001 RCZSGQRUHNBCEV-UHFFFAOYSA-N 252.224 1.467 0 50 CDAA O=C(N[C@@H]1CN2CCC1CC2)[C@H]1CCNc2ccccc21 167327676 OGEWVOOCASTYIW-GOEBONIOSA-N 285.391 1.796 0 50 CDAA O=S(=O)(F)c1ccccc1I 167513268 KIWRHVUUJYWRFM-UHFFFAOYSA-N 286.065 1.949 0 50 CDAA CN1CCO[C@@H](CN(Cc2cncnc2)CC2CC2)C1 275506041 CHMTULVOCHFLKQ-OAHLLOKOSA-N 276.384 1.019 0 50 CDAA Cn1ccc(CN[C@@H]2CCCN(c3nccnc3O)C2)c1 275611452 QYAWLJGIOKSCOV-CYBMUJFWSA-N 287.367 1.279 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1C[C@@H]1CCOc2ccccc21 671487641 ZTJREYYFBUJGGI-LOWVWBTDSA-N 278.327 1.450 0 50 CDAA CC/C=C/CCN1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 277866198 ULGGQPARXABKOB-WFVIONGDSA-N 263.385 1.784 0 50 CDAA CCCCS(=O)(=O)N[C@@]12CCCC[C@H]1NCC2 725264469 PLEUJFYWTCYTOK-VXGBXAGGSA-N 260.403 1.381 0 50 CDAA CC(C)Oc1ccccc1CNC[C@H]1CC(C(N)=O)=NO1 170606925 CHEKVNHTRGCSPK-GFCCVEGCSA-N 291.351 1.194 0 50 CDAA COC(=O)CNC(=O)c1c(F)cccc1Br 170653186 DDFNTJRGUUCIMR-UHFFFAOYSA-N 290.088 1.491 0 50 CDAA CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 634823445 SMKVEUCMDHNLOD-QGKZMRNZSA-N 281.352 1.273 0 50 CDAA CC[C@H]1CCCC[C@@H]1CN1CCC2(CC1)NC(=O)NC2=O 583650796 BIAFTEHYGYSCCT-QWHCGFSZSA-N 293.411 1.877 0 50 CDAA COC[C@@H]1CCN(C(=O)Cc2cccc3c2CCNC3)C1 637993152 WXSLSLZQYKLXOO-CYBMUJFWSA-N 288.391 1.370 0 50 CDAA Cn1cccc1C(=O)NCCN=S1(=O)CCCC1 585131434 VWMFLIDLTVPWRI-UHFFFAOYSA-N 269.370 1.017 0 50 CDAA CSC[C@H](C)C(=O)N1CC[C@H](c2cc(O)n[nH]2)C1 585129972 DBWOYABQRCUJIP-IUCAKERBSA-N 269.370 1.430 0 50 CDAA COCc1noc([C@H](C)N2CC[C@@H](C)[C@@H](OC)C2)n1 189303113 DXHOJXHSHUACBD-VWYCJHECSA-N 269.345 1.634 0 50 CDAA N=c1nc(N2CCOC3(CCCC3)C2)c2c([nH]1)CCCC2 645190729 NUDQKVWBHGNORZ-UHFFFAOYSA-N 288.395 1.917 0 50 CDAA CCc1nocc1CN=c1ccn(-c2ncccc2F)[nH]1 645169279 LCFZSLXFAGWQNC-UHFFFAOYSA-N 287.298 1.991 0 50 CDAA COCc1cccc(S(=O)(=O)N(C)c2ncccn2)c1 193844933 TWZMGUYQZFHOAK-UHFFFAOYSA-N 293.348 1.448 0 50 CDAA CCc1cccnc1-c1noc([C@H]2OCC[C@H]2CN)n1 715550379 MKOIUBJNUXBMDH-JQWIXIFHSA-N 274.324 1.730 0 50 CDAA CSC[C@H]1CCCN1C(=O)c1nc[nH]c2nccc1-2 597403867 NUSFVJMKYXMREG-SECBINFHSA-N 276.365 1.877 0 50 CDAA O=C(N[C@H]1C[C@H](C(=O)O)C1)c1ccc2ccncc2c1 659242104 VVCKLAOILXQPGK-AULYBMBSSA-N 270.288 1.828 0 50 CDAA C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1CCc2ccccc2C1 572044225 AHMBXOAROVYICH-RISCZKNCSA-N 295.404 1.341 0 50 CDAA Cc1cc(NS(=O)(=O)N2CCC(C)CC2)cnc1O 573638080 ACROETPFXTYXQG-UHFFFAOYSA-N 285.369 1.484 0 50 CDAA Cn1ccnc1NC(=O)c1ccc2c(c1)CCCO2 1506419430 BZZFKHXQZZGCNN-UHFFFAOYSA-N 257.293 1.997 0 50 CDAA CCc1ncnc(NCC2(n3cccn3)CC2)c1F 952993496 NVPXTOGUIGLZOY-UHFFFAOYSA-N 261.304 1.976 0 50 CDAA O[C@H]1CC[C@@H](N=c2c(F)c[nH]cc2Cl)CC[C@H]1O 1857530511 IDSSFWNHGSZLRU-FJPPDTINSA-N 274.723 1.372 0 50 CDAA CCc1c(C)noc1NC(=O)CCCn1cncn1 1529178436 LCWNZQVDOVUPGI-UHFFFAOYSA-N 263.301 1.556 0 50 CDAA Cc1ccc(O)c(C(=O)N2CC[S@](=O)CC[C@H]2C)c1 334482851 YCKLMJGZLHAUKV-NSPYISDASA-N 281.377 1.684 0 50 CDAA CCCS(=O)(=O)N1CCC2(CCOCC2)[C@@H]1C 335371670 KEHMYVIEJOOZJR-NSHDSACASA-N 261.387 1.617 0 50 CDAA Cc1nc(C)c(C)c(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)n1 1704339919 ZNCNDPUKZRBJPA-UKRRQHHQSA-N 299.378 1.232 0 50 CDAA Cc1nnc(CN2C[C@@H](O)[C@H](Cc3ccccn3)C2)s1 1704306968 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16626119 QNCXYUPEAKUKNR-UHFFFAOYSA-N 259.309 1.699 0 50 CDAA CC[C@@](C)(CCO)NC(=O)c1ccc2cncn2c1C 1645659617 HUIMHJUGPIMQPZ-HNNXBMFYSA-N 275.352 1.924 0 50 CDAA CCOCCCNC(=O)C(=O)Nc1ccc(OCC)cc1 2851661 LBXGCZBRRXCYGC-UHFFFAOYSA-N 294.351 1.567 0 50 CDAA COCCNCCOCCOc1cc(C)cc(C)c1 2975026 JKKPQHLQXGMXTJ-UHFFFAOYSA-N 267.369 1.935 0 50 CDAA Cc1c(Br)cccc1S(N)(=O)=O 36532602 OJPKVYUOZLYJSY-UHFFFAOYSA-N 250.117 1.405 0 50 CDAA O=C1C[C@H]2CN(Cc3ccc(N4CCCC4=O)cc3)C[C@H]2N1 1857677852 OWNOKUXIJRVQJV-DZGCQCFKSA-N 299.374 1.134 0 50 CDAA CCC[C@]1(CO)CCN(c2ncnc(CC)c2F)C[C@H]1O 1875241643 DGZDXMVLZICGEQ-IUODEOHRSA-N 297.374 1.528 0 50 CDAA Cc1cc(=NC(=O)N(C)C[C@H]2CCc3nccn3C2)cc[nH]1 328621796 HYRYDJUJFYACBX-CYBMUJFWSA-N 299.378 1.735 0 50 CDAA CCC(CC)n1ccc(CN2C[C@@H](OC)C[C@H]2C(N)=O)n1 344514195 NXWDTGPQRKMZSU-KBPBESRZSA-N 294.399 1.319 0 50 CDAA CCOc1cc(N2CCC(c3nncn3C)CC2)ncn1 136015222 ILCYDPXITZNRTO-UHFFFAOYSA-N 288.355 1.388 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc2c(c1)OCO2 353252578 SFKROMQHVBFPJB-FZMZJTMJSA-N 293.319 1.339 0 50 CDAA CO[C@H](C)CS(=O)(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C 252539464 OBEOHIJJTKMJSX-DDHJBXDOSA-N 263.403 1.718 0 50 CDAA CCc1cc(C(=O)NCc2ccc(C(=O)O)o2)n[nH]1 262100376 FHIXLPIUMIHOMB-UHFFFAOYSA-N 263.253 1.193 0 50 CDAA O=C(N[C@H](C(=O)O)c1ccc2c(c1)CCO2)[C@@H]1CCCO1 263073437 PHRRYUNKBGGYOE-STQMWFEESA-N 291.303 1.042 0 50 CDAA O=C(O)[C@@H]1C[C@H]1CN1CC[C@H](Cc2nccs2)C1 903957859 QRQYWGIXQUXTNM-OUAUKWLOSA-N 266.366 1.728 0 50 CDAA CCc1cccc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)n1 907957235 MDUUEMAUKNDWFU-HEQLZXTPSA-N 288.347 1.873 0 50 CDAA CNCC1(NC(=O)OC(C)(C)C)COC(C)(C)OC1 1857783939 RHRTWAICCKNCAJ-UHFFFAOYSA-N 274.361 1.252 0 50 CDAA CC(C)c1noc(CN(C)CC[C@@H]2COCCO2)n1 1775984381 RKHBTKKWEYEWKJ-LLVKDONJSA-N 269.345 1.430 0 50 CDAA CN(C)CCNC(=O)c1cc2ccccc2cc1O 8575948 PTYBNDTVHWXPPT-UHFFFAOYSA-N 258.321 1.837 0 50 CDAA CCC1=NO[C@H](CN(C)CCn2ccnc2C)C1 252481437 CMFCFUOFMSHOME-ZDUSSCGKSA-N 250.346 1.678 0 50 CDAA COC[C@@](C)(CC(=O)O)NC(=O)[C@@H]1CC=CCC1 237192870 MPRVIFDSOPKWLF-ZWNOBZJWSA-N 255.314 1.339 0 50 CDAA O=C(c1ccc2ncsc2c1)N1CCOC[C@@H](CO)C1 77541935 STMZWAQQFKZLDE-SNVBAGLBSA-N 292.360 1.377 0 50 CDAA O=C([C@@H]1CC12CCOCC2)N(C[C@H]1CCCN1)C1CC1 328642969 RFZSCIZYMBAYQF-OCCSQVGLSA-N 278.396 1.546 0 50 CDAA CCCc1nc(CN2CCC[C@](O)(C(F)(F)F)C2)no1 330366386 PLCPJFCKCSVEKC-LLVKDONJSA-N 293.289 1.911 0 50 CDAA C[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(F)cc(F)c2)C1 334689517 UUCIYQXOUJSRFF-GZMMTYOYSA-N 291.319 1.356 0 50 CDAA N=c1[nH]c(CNC(=O)c2ccc3c(c2)CCC3)cs1 584894603 GGPSBNKIBHMMFN-UHFFFAOYSA-N 273.361 1.974 0 50 CDAA CNS(=O)(=O)c1ccccc1NCCCOC(C)C 383479560 UCQUGCZYZGRKIH-UHFFFAOYSA-N 286.397 1.822 0 50 CDAA CCCOCC(=O)N1C[C@@H](N)CC[C@@H]1C(F)(F)F 386205799 MATGRNGVAMCNOZ-DTWKUNHWSA-N 268.279 1.294 0 50 CDAA CCn1nnc(=NC(=O)c2c(F)ccc(C)c2Cl)[nH]1 2100539426 IEMRCXFCGZLFLD-UHFFFAOYSA-N 283.694 1.468 0 50 CDAA C[C@@](O)(CN1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 402816582 MUVZXKOEFIGQEJ-BBWFWOEESA-N 274.408 1.955 0 50 CDAA COCc1[nH]nnc1CNCc1cc2ccccc2n1C 2325760874 VJVJICWGHIVHJM-UHFFFAOYSA-N 285.351 1.733 0 50 CDAA COCC1(C(=O)Nc2nc3cc(F)ccc3n2C)COC1 2325811683 SLVYPKANJVNRFF-UHFFFAOYSA-N 293.298 1.314 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCCc2ccc(F)cc21 861458561 OIZBRRDMPAFPTF-CQSZACIVSA-N 290.338 1.964 0 50 CDAA C[C@H]1C[C@@H](NC(=O)c2[nH]nc3ccccc23)CCN1 235757557 WWWRWXIVRHRYTO-UWVGGRQHSA-N 258.325 1.433 0 50 CDAA CS(=O)(=O)c1ccc(F)c(NC(=O)CCC(=O)O)c1 154235 LAKQITNKYXFFCE-UHFFFAOYSA-N 289.284 1.033 0 50 CDAA Cc1ccc(C(=O)O)cc1NC(=O)CCC(=O)O 176893 QLUUIIDXMPFVCG-UHFFFAOYSA-N 251.238 1.497 0 50 CDAA biogenic CNC(=O)C1=NCCCc2cc(OC)c(OC)cc21 209322 VWOFBJCYOXUHRT-UHFFFAOYSA-N 262.309 1.185 0 50 CDAA CC(C)NC(=O)Cn1c(=O)sc2ccccc21 211153 MIHPRJQYXBAPCJ-UHFFFAOYSA-N 250.323 1.588 0 50 CDAA CCN(CC)C(=O)N1CCN(C(=O)N(CC)CC)CC1 355669 YVQPNNHLHGFALX-UHFFFAOYSA-N 284.404 1.528 0 50 CDAA O=C(O)CSc1nnc(COc2ccccc2)o1 422849 QNJLAWJXKWHCNN-UHFFFAOYSA-N 266.278 1.825 0 50 CDAA CC(=O)c1cccc(NC(=O)NN2CCOCC2)c1 611819 MEEOIPLCOXVXGU-UHFFFAOYSA-N 263.297 1.258 0 50 CDAA O=C(O)C[C@H]1C(=O)NCCN1Cc1ccccc1Cl 1926671 SPWNROYGRVIXKP-NSHDSACASA-N 282.727 1.115 0 50 CDAA COc1c(C)cnc(CN2C[C@H]3COC[C@@]3(CO)C2)c1C 2356140917 RQCXFTLLGFJKIL-BBRMVZONSA-N 292.379 1.148 0 50 CDAA Cn1nccc1C(=O)NCCCn1cc(Cl)cn1 2780608 JVIACYOQGZKMRH-UHFFFAOYSA-N 267.720 1.090 0 50 CDAA CC1(C)C(c2ccccn2)=[N+]([O-])C(c2cccnc2)=[N+]1[O-] 2897823 QFQQIQIGPWULHK-UHFFFAOYSA-N 282.303 1.525 0 50 CDAA CCO[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)o2)C12CCC2 225474897 DLXDFETVPKYOIJ-QWRGUYRKSA-N 280.324 1.056 0 50 CDAA O=C(O)c1cc(NC(=O)[C@@H]2CCCO2)cc(C(=O)O)c1 4454413 MJGDXLIJSQNJGW-JTQLQIEISA-N 279.248 1.201 0 50 CDAA Cc1ccc(CNCCCSc2nnnn2C)cc1 4993794 CTINQLBTDIXOMG-UHFFFAOYSA-N 277.397 1.791 0 50 CDAA CO[C@H]1C[C@@H](CO)N(Cc2ccc(-n3ccnc3)cc2)C1 343982533 MWYVURPYPXWDHL-HOTGVXAUSA-N 287.363 1.454 0 50 CDAA CC1CCN(S(=O)(=O)n2nnc3ccccc32)CC1 8714296 RRHSOHOENULNPN-UHFFFAOYSA-N 280.353 1.256 0 50 CDAA O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(C(=O)O)cc21 8991677 NBGFGVFESDDKSP-ZETCQYMHSA-N 273.244 1.579 0 50 CDAA Cc1cccc(C(=O)NCCC(=O)N2CCCC2)c1 9299959 MHXCEMVGYDWMHU-UHFFFAOYSA-N 260.337 1.737 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCCO1 250858366 PVPJRLDLBBOPLX-USZNOCQGSA-N 267.325 1.410 0 50 CDAA CNc1ncccc1CN(CCOC)Cc1cnn(C)c1 55384293 KFIRRSZFUVJAEZ-UHFFFAOYSA-N 289.383 1.505 0 50 CDAA Cc1ccc(C)c([C@H]2CN(C(=O)CCN)[C@H](C)CO2)c1 119066057 LKEVFEUBNCOJDV-UKRRQHHQSA-N 276.380 1.941 0 50 CDAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)C(=O)NC1CC1 247933724 KPSFOGHTYCJJJL-KCPJHIHWSA-N 293.411 1.129 0 50 CDAA COC(=O)[C@@H]1[C@@H]2C[C@H](Br)[C@@H]1CC21OCCO1 104310538 PEARVLKVUHDRMM-JBDRJPRFSA-N 291.141 1.322 0 50 CDAA C[C@H]1C(=O)OC[C@@H]1C(=O)NCc1ccc2ncccc2c1 20915049 IVDINHWPFPWQQI-MFKMUULPSA-N 284.315 1.660 0 50 CDAA C[C@H](c1ccc(F)cc1)n1c(CCCO)n[nH]c1=O 65424983 PKYZFLYGHIXXCM-SECBINFHSA-N 265.288 1.245 0 50 CDAA CC(C)[C@H]1CN(C)CCN1c1ncnc2c1cnn2C 172375292 NQUPISGQBMEBQR-GFCCVEGCSA-N 274.372 1.140 0 50 CDAA O=C(NCCCn1cccn1)N[C@@H]1CCN2CCCC[C@@H]12 229171950 NDRLBJNTFFHOLI-KGLIPLIRSA-N 291.399 1.199 0 50 CDAA O=C(NCc1ccccc1-n1cncn1)[C@@H]1CCCO1 219901481 WDEIFLKROUQIKE-ZDUSSCGKSA-N 272.308 1.063 0 50 CDAA N[C@@H](C(=O)NCc1ccccc1-n1ccnc1)C1CCC1 423760814 NSQDRZHXYLYYOE-OAHLLOKOSA-N 284.363 1.616 0 50 CDAA CCN(CC)C(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO 252477217 KGMNIUHAYFHWJW-KGLIPLIRSA-N 283.416 1.369 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccnc2ccnn12 428738563 FNJFWGUKVJRVLZ-MNOVXSKESA-N 274.324 1.873 0 50 CDAA Nc1nccnc1C(=O)Nc1ccc(-c2nnco2)cc1 358843591 YRLVJRLUWHMLEQ-UHFFFAOYSA-N 282.263 1.361 0 50 CDAA CCN1CCO[C@@H](CC(=O)Nc2ccc(F)cc2)C1=O 538852 LWEPIQQWAIQPNZ-LBPRGKRZSA-N 280.299 1.402 0 50 CDAA O=C(O)c1cccc(-n2c(C3CCC3)n[nH]c2=O)c1 65382317 WXOXOMSXZLJVCK-UHFFFAOYSA-N 259.265 1.526 0 50 CDAA CC(C)NC(=O)c1ccc(-n2cc(CCO)cn2)o1 65376678 NWUDFTHNBAYBAF-UHFFFAOYSA-N 263.297 1.138 0 50 CDAA c1nc(N2CCN(Cc3ccoc3)CC2)c2[nH]cnc2n1 216309738 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COc1ccccc1C[C@H](CNC(=O)C1CC1)C(=O)O 237261189 SYSDOYHWWWKPRH-GFCCVEGCSA-N 277.320 1.465 0 50 CDAA Cc1noc(C)c1C[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)O 136535413 HCXPBHXJTJJOIT-TVQRCGJNSA-N 294.351 1.936 0 50 CDAA COc1ccc([C@@H](CN(C)C)NCc2cc[nH]n2)cc1 253416608 YWGLBGIOZZQBDS-OAHLLOKOSA-N 274.368 1.811 0 50 CDAA C[C@H]1CN(C(=O)c2ccccc2-n2cccn2)C[C@@H](C)N1 153203232 SZEGJJJHPAEWNQ-BETUJISGSA-N 284.363 1.695 0 50 CDAA COc1ccnc(N[C@@H]2CC[C@H](C(F)(F)F)N(C)C2)n1 583616708 FYQNJSUWWNBVDI-RKDXNWHRSA-N 290.289 1.922 0 50 CDAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(-n2cccn2)cc1 262410093 NXEQXODIOZPJIC-ZLKJLUDKSA-N 299.330 1.770 0 50 CDAA C=CC(=O)NC[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1 1875371085 OKVLKAUIPUZASS-YPFXGUDJSA-N 286.347 1.932 0 50 CDAA CNC(=O)c1ccc(C(=O)N(CC(C)C)C2CC2)cn1 265285851 NUTYOJAQIMKFDC-UHFFFAOYSA-N 275.352 1.702 0 50 CDAA Cc1cncc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 266272217 CDRPXCMUWNKFPS-YNEHKIRRSA-N 260.337 1.933 0 50 CDAA COc1ccc(-c2cn(Cc3ccn(C)n3)nn2)cc1OC 900485836 CRMHLJNIZKKCGO-UHFFFAOYSA-N 299.334 1.744 0 50 CDAA NC(=O)c1nc(C2(c3ccccc3)CCOCC2)no1 904071217 MBXCRLOEUXIYKD-UHFFFAOYSA-N 273.292 1.265 0 50 CDAA Cc1ncc2c(n1)[C@@]1(CCCN(CC(=O)N(C)C)C1)CC2 1704325275 HDLWHMPIYLCRNX-INIZCTEOSA-N 288.395 1.153 0 50 CDAA CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C2CCC1(C(N)=O)CC2 906382195 ISERPXQKIVCKQP-WVIDZAQPSA-N 280.368 1.056 0 50 CDAA c1n[nH]cc1Cc1noc(COC[C@@H]2CCCO2)n1 924135431 IRGGVTKJVHDKEQ-JTQLQIEISA-N 264.285 1.079 0 50 CDAA C1CCC([N@]2N[C@@H]2[C@@H]2N[N@@]2C2CCCCC2)CC1 1857624803 DSHDNRNNEKAYLE-DACLVMHWSA-N 250.390 1.944 0 50 CDAA C[C@@H]1CN(C(=O)c2[nH]nc3ccccc23)CCCO1 112335688 VITRITCTMLGGEJ-SNVBAGLBSA-N 259.309 1.814 0 50 CDAA CC(C)(C)c1ccc(N2C(=O)CC(=O)NC2=O)cc1 2947841 IQORSSDZRQOMLE-UHFFFAOYSA-N 260.293 1.957 0 50 CDAA Cc1ccc(C(=O)N(CC(=O)O)C2CCOCC2)s1 237840983 ZQLSUGYRVQRGTN-UHFFFAOYSA-N 283.349 1.762 0 50 CDAA OCCN1CCN(CCCOc2ccccc2)CC1 22891157 FEOKPQAJWTUTKA-UHFFFAOYSA-N 264.369 1.065 0 50 CDAA Nc1ccccc1S(=O)(=O)N1CCN(C2CCC2)CC1 274343328 LWVSHZUJQIGQHW-UHFFFAOYSA-N 295.408 1.128 0 50 CDAA O=C1C[C@H](C(=O)NCc2ccco2)C2(CCCC2)O1 4770707 BICBIVPDQKJIPU-LLVKDONJSA-N 263.293 1.772 0 50 CDAA COc1nn(C)c(C)c1Nc1ncc(C)c(N(C)C)n1 2100539434 IKEYUIPXUGSSGF-UHFFFAOYSA-N 276.344 1.645 0 50 CDAA CO[C@H](CNCc1cnn(C)c1C(=O)O)C1CCCCC1 2325789685 GAMUGDLLGAONHD-CYBMUJFWSA-N 295.383 1.803 0 50 CDAA C[C@@H]1CCn2ncc(C(=O)N[C@@H]3C[C@H](CN)C3(C)C)c2C1 2325799789 XRFJXZQKSQODIN-JTNHKYCSSA-N 290.411 1.569 0 50 CDAA CNC(=O)CN(Cc1cc2ccccc2o1)C(C)=O 2325900209 PEBJLBVDTGTEQQ-UHFFFAOYSA-N 260.293 1.527 0 50 CDAA Cc1noc([C@H]2COCCN2C(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 248509422 YXHNMOXVHUEAAF-ZDEQEGDKSA-N 291.351 1.714 0 50 CDAA CCOC(=O)[C@]1(C(C)C)CCN(C[C@@H](O)C(F)(F)F)C1 248742630 QPHCDQWMHLTTEK-ZYHUDNBSSA-N 297.317 1.821 0 50 CDAA N[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 152337983 YCVIBOAIXVBCHP-JTQLQIEISA-N 272.270 1.808 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1[C@@H]1CC=CCC1 83145 IBZQAYTUWKZURD-KOLCDFICSA-N 250.298 1.471 0 50 CDAA O=C(Nc1nccs1)[C@@H]1COc2ccccc2O1 130544 KBUJVICLRDBOIE-JTQLQIEISA-N 262.290 1.922 0 50 CDAA COc1ccc2c(C)c(C(=O)NC[C@@H](C)O)oc2c1OC 185731 OXLRBPDFHQJOAA-MRVPVSSYSA-N 293.319 1.869 0 50 CDAA O=C(COc1ccccc1)NN1C(=O)c2ccccc2C1=O 284581 WEGZEFDFJHZAGH-UHFFFAOYSA-N 296.282 1.393 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)O 2382535 FABANBOJFXYSHH-NSHDSACASA-N 281.308 1.913 0 50 CDAA CCc1nc(=NC(=O)c2cc3c(OC)cccc3[nH]2)o[nH]1 2356147903 XGDBTFOHDRPQSV-UHFFFAOYSA-N 286.291 1.796 0 50 CDAA O=C(O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 4204608 GXSQIIWCZQSTIN-UHFFFAOYSA-N 297.376 1.878 0 50 CDAA CSc1ncc(CNc2nnc3ccccn23)cn1 20877720 ORVCNOMJSCCQLI-UHFFFAOYSA-N 272.337 1.853 0 50 CDAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1 9779595 UJBLDQQCQBCFGR-UHFFFAOYSA-N 275.333 1.809 0 50 CDAA CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@@H]1CCNC1 247452533 ZXPWLZIIQYCWHW-GMTAPVOTSA-N 280.318 1.889 0 50 CDAA C[C@H]1[C@@H](c2ccccc2)N(C)C[C@@H](C)[C@]12NC(=O)NC2=O 102055977 MMSXRWNFSXWXPU-IZBNFRDHSA-N 287.363 1.524 0 50 CDAA CC(C)[C@@H]1CCC[C@H](NC(=O)NC(CO)CO)CC1 347456941 XYQFQOKIXKDBPX-NEPJUHHUSA-N 272.389 1.244 0 50 CDAA Cc1cnc(N2CC(N3CCCCC3)C2)nc1N(C)C 65372054 TWNPDFYDJGIQGI-UHFFFAOYSA-N 275.400 1.526 0 50 CDAA CCOc1cc(NC[C@@H]2CN(C3CC3)CCO2)ncn1 136046921 QWUOXDONVDTNRB-GFCCVEGCSA-N 278.356 1.150 0 50 CDAA COc1ccnc(C(=O)NCCn2cc(C)cn2)c1 117811684 IZRCEOCFBQXNFX-UHFFFAOYSA-N 260.297 1.025 0 50 CDAA Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H]1C[C@@H](C)OC1=O 229553576 OCLJYAZUPFYWCN-JIMOISOXSA-N 277.368 1.878 0 50 CDAA Cc1nc(-c2cccc(C(=O)N[C@H]3CCNC3)c2)no1 126561959 AOKKVFAGLASDAO-LBPRGKRZSA-N 272.308 1.137 0 50 CDAA CN(CCOCCO)C(=O)c1ccc(Cl)cc1O 282219345 SKGOSNFPWNWNGQ-UHFFFAOYSA-N 273.716 1.127 0 50 CDAA COCCN1CC[C@@H](CNCc2ccc(Cl)o2)C1 65982233 DPOYDWRAZUDUFK-NSHDSACASA-N 272.776 1.991 0 50 CDAA O=C(O)C1CCN(C(=O)c2scnc2Cl)CC1 328593054 KOSXNBBUVROICU-UHFFFAOYSA-N 274.729 1.733 0 50 CDAA CN1CCN2CCN(Cc3ccc4[nH]ccc4c3)C[C@@H]2C1 67818798 WXNUPSQUGQXIEI-INIZCTEOSA-N 284.407 1.600 0 50 CDAA C/C=C/CC(=O)N1CCCn2nc(C(=O)O)cc2C1 65371721 GPMIXHXEQMDHNZ-NSCUHMNNSA-N 263.297 1.280 0 50 CDAA Cc1nc([C@@H](C)NC(=O)CCN2CCCCCCC2)n[nH]1 63872502 DORBKKFWLDCEHP-GFCCVEGCSA-N 293.415 1.947 0 50 CDAA CC(C)[C@@H](O)CCNC(=O)/C=C/c1cccc(O)c1 154393201 BTMQZYKNKOWCGV-UZYOAWRESA-N 263.337 1.929 0 50 CDAA c1ccc(CN2CCO[C@H](CN3CCCC3)C2)cc1 71619120 ZMCFQWJMHRVTFS-MRXNPFEDSA-N 260.381 1.983 0 50 CDAA C[C@H]1CCOCCN1C(=O)C(F)(F)C1(O)CCC1 367642548 GAYVYXLGCCWNTC-VIFPVBQESA-N 263.284 1.174 0 50 CDAA Cc1cc(NCCN2CCCCC2)n2nccc2n1 72146607 XAUKCZLQVZNLCF-UHFFFAOYSA-N 259.357 1.936 0 50 CDAA CCc1nsc(N2CC[S@](=O)CC[C@@H]2C)n1 369349169 LHZGVAIKERKYBT-ZKANADHPSA-N 259.400 1.448 0 50 CDAA Cc1nnc(NC(=O)N(C)C[C@H]2CCOC2)s1 175150007 MPADKLIXYOVKEG-MRVPVSSYSA-N 256.331 1.347 0 50 CDAA O=C(C1CCNCC1)N1CCC[C@@H](C[C@H]2CCOC2)C1 374804232 BBKGSAZASQQTDM-UONOGXRCSA-N 280.412 1.651 0 50 CDAA Cc1cc(N[C@H]2CCC(=O)N[C@H]2C2CC2)nc(C)n1 376489867 XGJWTVHMKKDXSW-FZMZJTMJSA-N 260.341 1.563 0 50 CDAA CC[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@@H](C)[S@@]1=O 286416119 QOYIKGOBMHOJLH-HQVAUKCESA-N 278.381 1.694 0 50 CDAA O=C1COc2ncc(I)cc2N1 39961381 FJGDEJWGCXCKOI-UHFFFAOYSA-N 276.033 1.017 0 50 CDAA in-vitro CN(CCc1cccc2ccccc12)C(=O)[C@H]1C[C@H](O)CN1 239722529 CDDYEFDSBDEFEM-DOTOQJQBSA-N 298.386 1.564 0 50 CDAA CC(C)c1cc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)no1 241897148 TVZQTXMPFFFWRZ-AAEUAGOBSA-N 277.368 1.964 0 50 CDAA OC[C@]1(O)CCCN(Cc2cc3c(cc2Cl)OCO3)C1 72407233 RYNNQDZKDFUYRO-AWEZNQCLSA-N 299.754 1.388 0 50 CDAA COc1ccc(CNC(=O)[C@@](C)(O)C2CC2)cc1F 285946127 IIXISMXFYRDEGU-AWEZNQCLSA-N 267.300 1.612 0 50 CDAA CCCN1CC(=O)N(c2ccccc2C(=O)OC)C1=O 225558249 NYTXXMLZFACUOQ-UHFFFAOYSA-N 276.292 1.652 0 50 CDAA COc1ccc(OCCN2CCN[C@H](C)C2)cc1 40456361 OAEWWXORXMIVFZ-GFCCVEGCSA-N 250.342 1.368 0 50 CDAA CC(C)OCC(=O)NCc1ccccc1-n1cccn1 49411780 SNGWRFHXRLQGAG-UHFFFAOYSA-N 273.336 1.914 0 50 CDAA COc1cccc(F)c1C(=O)N[C@@H]1CCOC[C@H]1OC 220517595 ONPUNEUGDOKOJA-ZYHUDNBSSA-N 283.299 1.368 0 50 CDAA CCOC(=O)CN(C=O)Cc1ccccc1Cl 44125843 JZUVGFSGUVNDJN-UHFFFAOYSA-N 255.701 1.862 0 50 CDAA COc1ccc(-c2c(C)nn(CC(N)=O)c2C)c(OC)c1 426662424 ZKNICKGBVKKQNF-UHFFFAOYSA-N 289.335 1.669 0 50 CDAA CC(C)(C)c1cc([C@H]2CC(=O)N=C3NNC=C32)[nH]n1 198198850 FZHMEYIYPNWOBN-ZETCQYMHSA-N 259.313 1.111 0 50 CDAA Cn1ccnc1-c1cccc(C(=O)NC(C)(C)CO)c1 426693682 GHQICWZWEAKTBU-UHFFFAOYSA-N 273.336 1.588 0 50 CDAA Cc1cc2cc(C(=O)N3CCOC[C@H](O)C3)ccc2o1 97243768 AZMRDWFPDXKOEH-CYBMUJFWSA-N 275.304 1.575 0 50 CDAA CC(C)SCCN1C(=O)COc2cccnc21 95359578 IJGWYKADMCXRHG-UHFFFAOYSA-N 252.339 1.949 0 50 CDAA c1cc(CN2CC(N3CCCCC3)C2)c2nonc2c1 97334340 LZYBXKRJBIMAAC-UHFFFAOYSA-N 272.352 1.893 0 50 CDAA CCCOCCNC(=O)N1CC(c2ccccn2)C1 426689360 YZSYIJMKWUORLA-UHFFFAOYSA-N 263.341 1.617 0 50 CDAA CCn1ncc2ccc(NC(=O)C3(C(=O)O)CC3)cc21 180196858 RWMYNQIAZGFVSJ-UHFFFAOYSA-N 273.292 1.860 0 50 CDAA CCOc1ccc(CCNC(=O)C[C@@H]2COCCN2)cc1 97259179 DNNBPCXHRBIAJG-CQSZACIVSA-N 292.379 1.123 0 50 CDAA COc1ccccc1OC1CN(C(=O)[C@H](O)CC(C)C)C1 95385555 YFHFPSPXTYFATA-CYBMUJFWSA-N 293.363 1.692 0 50 CDAA Cc1noc(C)c1CN1CCC2(CC1)OCCC[C@H]2O 91793460 VLPWPODFJKUEKN-CQSZACIVSA-N 280.368 1.797 0 50 CDAA C[C@@H](Cc1nc(-c2cccnn2)no1)n1cccn1 95520352 XBGJWVNPPGXIMV-VIFPVBQESA-N 256.269 1.527 0 50 CDAA Cc1cc(C)n([C@@H](C)CNC(=O)Cn2ccccc2=O)n1 97602137 WXQWGVILKVQEGQ-ZDUSSCGKSA-N 288.351 1.039 0 50 CDAA CCCc1n[nH]cc1C(=O)N1CC[C@](C)(O)[C@H](C)C1 91745829 YKGKXQUNTPOHKW-YGRLFVJLSA-N 265.357 1.595 0 50 CDAA CC[C@@](O)(CCCO)CNc1nc(C)nc(C)c1C 91892786 KEASQHUIBRCDIQ-CQSZACIVSA-N 267.373 1.727 0 50 CDAA Cc1nn(C)c2nc(N3C[C@@H]4CCN(C)[C@@H]4C3)sc12 96164814 FUWDYKWCEHQXPA-VHSXEESVSA-N 277.397 1.479 0 50 CDAA Cc1n[nH]cc1CN(C)[C@H](C)C(=O)Nc1ccccn1 252489468 JROUNJPQSUANHI-LLVKDONJSA-N 273.340 1.572 0 50 CDAA CC(C)n1ccc(CN[C@@](C)(C(N)=O)C(C)C)n1 297693316 PXYVRHWCRPVRAT-CYBMUJFWSA-N 252.362 1.454 0 50 CDAA O=C(O)C[C@@H](NC(=O)C1CCOCC1)c1ccc(F)cc1 299338525 GDQPFTBWOAZGPW-CYBMUJFWSA-N 295.310 1.884 0 50 CDAA Cc1cc(C)c2nc(CN3CCNC(=O)[C@@H]3C)cc(O)c2c1 253537232 GCICKSNQEHYADD-LBPRGKRZSA-N 299.374 1.878 0 50 CDAA C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@H]1C(=O)O 299753215 XHQRUQQMEISWMQ-GXFFZTMASA-N 295.310 1.316 0 50 CDAA CC(C)(C)OC(=O)NC[C@]1(C(=O)O)C[C@]12CCOC2 601014781 HOZRVYWAQQWMNY-STQMWFEESA-N 271.313 1.393 0 50 CDAA Cc1ccc2[nH]c(C(=O)NC[C@H]3C[C@@H](O)C3)cc2c1 629071009 NFZGOHGXKCCSMZ-KLPPZKSPSA-N 258.321 1.977 0 50 CDAA Cc1[nH]c(=N)[nH]c(=NC[C@@H](C(C)C)N(C)C)c1Cl 534651141 PKSZJFHEFNLYKH-VIFPVBQESA-N 271.796 1.271 0 50 CDAA CCn1nc(C)cc1C(=O)N1CCC[C@]12CCCNC2=O 1940197930 CFFRJFZLISQCRN-HNNXBMFYSA-N 290.367 1.096 0 50 CDAA Cc1cccc([C@H](NC(=O)CCn2cncn2)C2CC2)n1 299800252 WGXWNKZVUUEXHE-OAHLLOKOSA-N 285.351 1.639 0 50 CDAA CN1C(=O)C[C@H](C(=O)NCCCc2cccnc2)C1(C)C 299802724 WFZSOHMBAZDCCN-CYBMUJFWSA-N 289.379 1.387 0 50 CDAA NC[C@H]1Cc2c(F)ccc(-c3cncc(C(N)=O)c3)c2O1 299779375 TZFJDROARQCDLQ-SNVBAGLBSA-N 287.294 1.249 0 50 CDAA Cc1cc2cc(Cn3cnc4cn(C)nc4c3=O)ccc2[nH]1 584901967 JMJSMLHWIDGYJN-UHFFFAOYSA-N 293.330 1.968 0 50 CDAA CCCSCC(=O)N(C)C[C@@]1(C)CCN(C)C1 584890698 VHBWSOJYGGMVBO-ZDUSSCGKSA-N 258.431 1.930 0 50 CDAA Cc1ccc([C@@H]2CCCN2C(=O)[C@H](O)c2cnc[nH]2)o1 865915163 ADJGVGBPADZPTI-WCQYABFASA-N 275.308 1.708 0 50 CDAA Cc1nc(C2CCCC2)n(C[C@H]2COCCO2)n1 584901590 UDIVMPYDMPZRPV-LBPRGKRZSA-N 251.330 1.660 0 50 CDAA Cc1nn(CCC(=O)N2CCc3nocc3C2)c(C)c1C 670445490 PWHRCAUFLWFNQU-UHFFFAOYSA-N 288.351 1.771 0 50 CDAA CC(C)CNC(=O)CNC(=O)Cc1cc(Cl)ccc1O 1875335443 KNAYDZRCJOLAJN-UHFFFAOYSA-N 298.770 1.477 0 50 CDAA C[C@H]1C(=O)N[C@@H](c2ccccc2Br)C(=O)N1C 1875340312 VKVLHQXIIPBJPJ-XVKPBYJWSA-N 297.152 1.467 0 50 CDAA CCN1C(=O)C[C@H](N2C[C@H]3CC(F)(F)C[C@H]3C2)C1=O 1875319284 VYWPFBQADKILBN-AEJSXWLSSA-N 272.295 1.111 0 50 CDAA C=CC(=O)NCCC(=O)NC1(CC(F)(F)F)CC1 1875365959 ZWOORNLSUUUZPH-UHFFFAOYSA-N 264.247 1.280 0 50 CDAA O=C(NCc1cn2cccnc2n1)c1cnsc1 1857687615 WSJDXYACDJPZMR-UHFFFAOYSA-N 259.294 1.116 0 50 CDAA O=C(NO[C@H]1CCOC1)[C@H]1CCCN1c1ccccc1 1875263621 LHULJVRIXDJGON-UONOGXRCSA-N 276.336 1.492 0 50 CDAA Cc1cc(=N[C@@H](CO)c2cccc(Cl)c2)[nH]c(=N)[nH]1 1875256740 SRBDYWXHXRBPNN-NSHDSACASA-N 278.743 1.418 0 50 CDAA COc1ccc(CN(C)[C@@H](C)CC(N)=O)c(C)c1 952860138 FYNLMVNOFULJCN-NSHDSACASA-N 250.342 1.699 0 50 CDAA CCCO[C@H]1CCCN(C(=O)CCn2cnnc2)C1 952971161 MORYJCSXQFUDAX-LBPRGKRZSA-N 266.345 1.086 0 50 CDAA CCCS(=O)(=O)CCN(C)[C@@H]1CCN(CC)C[C@H]1C 246477372 GHMCJYAQJCAXNM-ZIAGYGMSSA-N 290.473 1.473 0 50 CDAA Cn1nccc1CCC(=O)N1CC[C@H](c2cnccn2)C1 1363625123 ZOIIUSLVVPYDLS-LBPRGKRZSA-N 285.351 1.159 0 50 CDAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1nc[nH]c1C(C)(C)C 630392014 ITAKYHIAAXSNTD-DTWKUNHWSA-N 278.356 1.104 0 50 CDAA CCN1CCC[C@@H](NC(=O)c2cn3nccc3nc2C)C1 581468912 GYRPZMHRBOQUPU-GFCCVEGCSA-N 287.367 1.252 0 50 CDAA Cc1ccc(C[C@H]2CCCN2C(=O)Cc2nc[nH]n2)cc1 631289199 AYRVCQXAXQFBOP-CQSZACIVSA-N 284.363 1.889 0 50 CDAA CN1CC[C@@H]2CN(c3ccc(-c4nccn4C)nn3)C[C@@H]21 1073388124 SVCALXDAQVUCLC-YPMHNXCESA-N 284.367 1.017 0 50 CDAA CCCN1CCC(C(=O)N[C@H](C(=O)O)[C@@H](C)CC)CC1 170692483 JBOCBIUCPBMCOL-AAEUAGOBSA-N 284.400 1.724 0 50 CDAA Cc1nc([C@H]2CCCN2C(=O)[C@H](C)n2cncn2)cs1 187100108 GCJOCPRIVPDZOS-JOYOIKCWSA-N 291.380 1.968 0 50 CDAA CC[C@@H](C)NC(=O)CCC(=O)CCC(=O)N[C@H](C)CC 585089470 PKMCKJUZOIMIDZ-VXGBXAGGSA-N 284.400 1.945 0 50 CDAA O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@H]1COc2ccccc21 585123888 KHOMAPSZQNUKSV-YWPYICTPSA-N 299.330 1.532 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(N)=O 91304185 HQXARKCBWUAVTN-VIFPVBQESA-N 254.330 1.509 0 50 CDAA in-vitro Cc1noc([C@@H]2CN(Cc3ccns3)CCN2C)n1 585117602 MOSZVZNFPMGCDL-NSHDSACASA-N 279.369 1.323 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCn3cncc3C2)ns1 585122544 XLKLUTJAPATJGZ-VIFPVBQESA-N 262.338 1.393 0 50 CDAA CC(C)[C@H](NC(=O)c1csc(C2CC2)n1)c1nn[nH]n1 735736734 ZDKMEXJLAVMOGG-VIFPVBQESA-N 292.368 1.661 0 50 CDAA Clc1cnc(N2CCCC[C@@H]2c2nc[nH]n2)nc1 408195759 UODXXGJFEKPPIA-SECBINFHSA-N 264.720 1.980 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N=c1cc[nH]c2ccncc12 408326346 LLGQZQLAUMKBSE-GHMZBOCLSA-N 271.320 1.805 0 50 CDAA CC1(C)[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)[C@H]2CCO[C@H]21 669102577 IOEVSFIHORRZBH-NRMKKVEVSA-N 290.367 1.154 0 50 CDAA CC[C@@H]1OCC[C@H]1C(=O)NCc1cccc(OC)n1 795865955 HCWJHSDTRIWHGZ-NEPJUHHUSA-N 264.325 1.522 0 50 CDAA Cn1nccc1CN1CCC(CCN2CCCC2=O)CC1 1506404012 DUTQJUHXDRWDEC-UHFFFAOYSA-N 290.411 1.645 0 50 CDAA Cc1ccc(C(=O)O)c(NCCCN2CCC[C@H](O)C2)n1 1506399378 FDFNAHFWYBWUJH-LBPRGKRZSA-N 293.367 1.347 0 50 CDAA CN1Cc2cc(-c3ccc(=O)n(C)n3)ccc2C1=O 1875245234 QNERFINDAQZQHK-UHFFFAOYSA-N 255.277 1.033 0 50 CDAA CC(C)(C)OC(=O)[C@H](c1ccco1)[C@H](N)C(=O)O 201128669 RZGQGSTZCPRLJS-BDAKNGLRSA-N 255.270 1.117 0 50 CDAA CS(=O)(=O)CC(=O)N1CCC[C@H]1CC1CCCCC1 408049442 ZRDGSQLSWKIRJQ-ZDUSSCGKSA-N 287.425 1.992 0 50 CDAA CCOC[C@@H]1CCN(C(=O)[C@H](CC)C(=O)OCC)C1 408521574 ZDQBRSXVUULDAJ-NEPJUHHUSA-N 271.357 1.461 0 50 CDAA O=C(O)/C=C/CNC(=O)c1ccnc(Br)c1 309291175 OMQSLQNOUDJALC-OWOJBTEDSA-N 285.097 1.215 0 50 CDAA Cn1nccc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 330479395 NXOOQLSEMPVQBV-UHFFFAOYSA-N 283.357 1.172 0 50 CDAA CN(CCCO)C(=O)c1cnc(O)c(Br)c1 331297031 ZFKVMUFDMRLRBV-UHFFFAOYSA-N 289.129 1.004 0 50 CDAA Cc1nc(C)c(CNC(=O)c2c[nH]cc(C)c2=O)s1 334032969 PVNONYMLNLVMKZ-UHFFFAOYSA-N 277.349 1.687 0 50 CDAA CCC(C)(CC)NC(=O)c1cnc(C(=O)O)cn1 263296230 SLJGSIGWOYCIRR-UHFFFAOYSA-N 251.286 1.483 0 50 CDAA Cc1cc(NC(=O)[C@@H](C)C(=O)O)c(C)c(C)c1O 263554746 NONKHXQUCNPLOU-SECBINFHSA-N 251.282 1.977 0 50 CDAA C[C@@H]1CN(C(=O)CCN)C[C@@H](c2ccc(F)cc2)O1 161562240 QCIYYPGCUWECFW-MFKMUULPSA-N 266.316 1.463 0 50 CDAA Cc1cnn(C)c1C(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 1615003072 ZNXJCWILFCDNBF-QWHCGFSZSA-N 299.330 1.772 0 50 CDAA Cc1ccnc(Cn2nc(C)c([C@@H]3CCCC(=O)N3)c2C)n1 1615556085 XSXDUFZFSDINEB-ZDUSSCGKSA-N 299.378 1.988 0 50 CDAA COc1cc(I)cnc1OC 35270422 CGVJUVQHBWCVFC-UHFFFAOYSA-N 265.050 1.703 0 50 CDAA in-vitro CC[C@@H](C)NS(=O)(=O)c1ccc2oc(=O)ccc2c1 11614051 QYZGVINYWXRUTH-SECBINFHSA-N 281.333 1.870 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12631140 LUZTXPDVLZQZLJ-UWVGGRQHSA-N 271.272 1.840 0 50 CDAA Cc1ccccc1O[C@@H](C)C(=O)NC1=NCCS1 16602749 LJXQOQMBVSYKJA-JTQLQIEISA-N 264.350 1.981 0 50 CDAA CCOC(=O)C(C(=O)OCC)n1c(=O)oc2ccccc21 19898957 MMRFQSURCQARRI-UHFFFAOYSA-N 293.275 1.262 0 50 CDAA CCOc1ccccc1NC(=O)C(=O)N[C@H](C)CC 2846642 DQTNDPVXAGVJSH-SNVBAGLBSA-N 264.325 1.939 0 50 CDAA COCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731805 RRSWKEZGAZDZQG-SNVBAGLBSA-N 296.754 1.456 0 50 CDAA CC(C)CNC(=O)C[C@@H]1Nc2ccccc2NC1=O 4335116 APYJACZVYDVTDA-LBPRGKRZSA-N 261.325 1.582 0 50 CDAA COc1ccc(-c2nnc3[nH]c(=O)cc(C)n23)cc1 5730291 AWAUZMCWBJUYKD-UHFFFAOYSA-N 256.265 1.402 0 50 CDAA O=C(N[C@H]1CCCOC12CCNCC2)c1cscn1 1857684086 YTGZCECMTULJNW-NSHDSACASA-N 281.381 1.174 0 50 CDAA CCCN=c1ncc(-c2nccn2-c2cnn(CC)c2)c[nH]1 1857693959 UTJDVTPOVMHLCU-UHFFFAOYSA-N 297.366 1.790 0 50 CDAA C[C@H]1[C@@H](O)CCCN1C(=O)c1nc2cnccc2s1 615747104 CGKOEICESTXVHY-WPRPVWTQSA-N 277.349 1.677 0 50 CDAA c1ccc2nc(N3CCC(N4CCOCC4)CC3)cnc2c1 624404675 VVFMZPAZKWHSLN-UHFFFAOYSA-N 298.390 1.931 0 50 CDAA C[C@H]1Oc2ccccc2N(CC(=O)N2CCCOC2)C1=O 329047993 GILWGTFMKDDVSJ-LLVKDONJSA-N 290.319 1.007 0 50 CDAA Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc[nH]2)c1 124169892 WVZJVJFIQSZFMY-UHFFFAOYSA-N 271.320 1.886 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)O)C2)nc1 237632022 LZRMZXRNHWRPIX-LLVKDONJSA-N 277.324 1.125 0 50 CDAA Cc1c[nH]ccc1=NC(=O)N1C[C@@H](C)OC2(CCC2)C1 335396164 RJUYRHVCNAVVSM-GFCCVEGCSA-N 275.352 1.987 0 50 CDAA C[C@@H]1C[C@H]1c1nc([C@H]2CCCN2S(C)(=O)=O)no1 252536162 HRZWCMLRXZGEQV-IWSPIJDZSA-N 271.342 1.290 0 50 CDAA Cc1cc(=N[C@@H]2CCN(c3ccccc3C(N)=O)C2)cc[nH]1 364372951 QYLBFAMUZLZLTM-CQSZACIVSA-N 296.374 1.602 0 50 CDAA CNC(=O)[C@H]1CCN(Cc2ccccc2)CC1(F)F 1875259587 QNFSGBYQVCIMPZ-GFCCVEGCSA-N 268.307 1.890 0 50 CDAA C[C@H]1CN(c2ccccc2F)CCN1C[C@@H](O)C(C)(C)O 1650251783 MLYPLRLVFWWIRZ-SWLSCSKDSA-N 296.386 1.468 0 50 CDAA CCOC1(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)CCC1 907946297 LLMOGLMRIDXCMB-FIQHERPVSA-N 281.352 1.561 0 50 CDAA Cc1noc2ncc(S(=O)(=O)NC3(C)CC3)cc12 1251942825 BDSJFMKUMMDRCK-UHFFFAOYSA-N 267.310 1.362 0 50 CDAA CC1CCN(C[C@@H]2CCCN([C@@H](C)C(=O)O)C2)CC1 236709818 NTCABUITIDBDLJ-KBPBESRZSA-N 268.401 1.903 0 50 CDAA CN1CCC(O)(CNc2cc(C(F)(F)F)ccn2)CC1 32587011 HZYVESBBLJFTER-UHFFFAOYSA-N 289.301 1.969 0 50 CDAA CCNc1ccnc(N2CC(n3nc(C)cc3C)C2)n1 65381778 KBBNLFOCRZFHHO-UHFFFAOYSA-N 272.356 1.783 0 50 CDAA CC1(S(=O)(=O)N2CC3CC2(CCC(=O)O)C3)CC1 864455191 JDOCRAMQJGGXEU-UHFFFAOYSA-N 273.354 1.198 0 50 CDAA Cc1nc(-c2cccc(NC(=O)[C@H]3C=CCN3)c2)n[nH]1 952973144 RGXMJRKXOYUGPT-GFCCVEGCSA-N 269.308 1.247 0 50 CDAA COC(=O)[C@@H](C(=O)NC[C@@H]1CCCO1)C1CCCC1 33760 YVUQQXCYHUSPNM-NWDGAFQWSA-N 269.341 1.261 0 50 CDAA CCc1csc(CNC(=O)[C@@H](N)C(C)(C)SC)n1 2100545451 VTEZSJVBLSGHAE-SNVBAGLBSA-N 287.454 1.791 0 50 CDAA CCOC(=O)C(Oc1ccccc1)C(=O)OCC 3121881 ZQNYBTKCSIVYBX-UHFFFAOYSA-N 252.266 1.560 0 50 CDAA Cc1ncc(CN=c2[nH]nc(C(F)F)s2)c(=N)[nH]1 2325780404 BRBUQKGZJRBDBA-UHFFFAOYSA-N 272.284 1.021 0 50 CDAA CCC[C@@](C)(CO)NC(=O)c1nc(C)[nH]c2nccc1-2 2325784888 RPYSOKDHIVCTCO-AWEZNQCLSA-N 276.340 1.499 0 50 CDAA Cc1c(C(=O)N[C@@H]2C[C@H](CN)C2(C)C)cnc2ccnn12 2325800148 SBPOOROWKSTYRE-ZYHUDNBSSA-N 287.367 1.141 0 50 CDAA CCNc1cc(C(=O)N2CCC[C@](C)(O)CC2)ccn1 230380562 HFHSPHUZWANTHD-HNNXBMFYSA-N 277.368 1.891 0 50 CDAA COC(=O)c1ccccc1NC(=O)CCC(=O)O 64859 TZWCYFXAELHYGX-UHFFFAOYSA-N 251.238 1.277 0 50 CDAA biogenic,in-vitro CCOC(=O)c1c(C)nc2cc(C(=O)O)nn2c1C 121073 FWTPIGDBKSEKSI-UHFFFAOYSA-N 263.253 1.221 0 50 CDAA c1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1 187756 QUJGSNAKALYCJO-UHFFFAOYSA-N 295.346 1.711 0 50 CDAA COc1cc2c(cc1OC)CN(CCC(=O)O)CC2 209541 WBSFXIIDLAELJP-UHFFFAOYSA-N 265.309 1.537 0 50 CDAA biogenic CCn1cc(C(=O)O)c(=O)c2cc(F)c(F)cc21 307134 MHFJYVWFBPABTI-UHFFFAOYSA-N 253.204 1.998 0 50 CDAA O=C(NC1CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 350863 WZJOTKOBUBYFQS-VIFPVBQESA-N 262.284 1.457 0 50 CDAA Cc1nnc(SCC(=O)Nc2nncs2)s1 6505046 CPVGAXBPQYUNPF-UHFFFAOYSA-N 273.368 1.429 0 50 CDAA O=C(CC1OCCCO1)NCCc1cccc(O)c1 225581669 UCRZDWMUBKPICB-UHFFFAOYSA-N 265.309 1.204 0 50 CDAA C[C@@H](NC(=O)C1(C(=O)O)CC1)[C@H]1COc2ccccc21 119012713 UPAKWFCSYSWATA-MWLCHTKSSA-N 275.304 1.532 0 50 CDAA COc1cccc([C@@H]2C[C@@H](O)CN2S(=O)(=O)C2CC2)c1 225714897 CRZIPFMHNLESSG-RISCZKNCSA-N 297.376 1.295 0 50 CDAA COCCNC(=O)c1cccc(NC(=O)c2ccco2)c1 8908655 HORBBIKSNVOHRX-UHFFFAOYSA-N 288.303 1.908 0 50 CDAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 59740062 ODIZLFSYOUQUKK-GFCCVEGCSA-N 266.385 1.894 0 50 CDAA Cc1cc(CN(C)C(=O)N[C@H]2CCN3CCCC[C@@H]23)no1 229193239 AXEYJCJCTGXKNI-KBPBESRZSA-N 292.383 1.751 0 50 CDAA O=C(O)CNc1ccc(I)cc1 20477960 RRRDVBAZCFOXDR-UHFFFAOYSA-N 277.061 1.788 0 50 CDAA Cc1nnc(NC(=O)N2CCN(C(C)C)[C@H](C)C2)s1 55370232 QOCOAEHEEXZBDP-SECBINFHSA-N 283.401 1.793 0 50 CDAA CCCSc1ncc(CNC[C@H]2CNCCO2)cn1 55060732 XSGDQKPKZZSCJI-GFCCVEGCSA-N 282.413 1.057 0 50 CDAA Cc1nc2ccccn2c1C(=O)N[C@H]1CCSC1 20994140 XRSQGDQAUSGALB-JTQLQIEISA-N 261.350 1.878 0 50 CDAA CN(C)CC(=O)N1CCCC[C@@H]1CCc1ccccn1 67712600 GMCVILQVBIZNDK-OAHLLOKOSA-N 275.396 1.957 0 50 CDAA Cc1cccc(NC(=O)NCCc2cc(=O)[nH]cn2)c1 23146120 LBXPPXKVMLVHDR-UHFFFAOYSA-N 272.308 1.443 0 50 CDAA O=C(NC1CC1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 141273740 XJFBDHJZLACVCF-UHFFFAOYSA-N 271.276 1.698 0 50 CDAA Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)n1 122006037 RZYLRYXCTVKVBR-VHSXEESVSA-N 262.313 1.166 0 50 CDAA COC[C@@H](NC(=O)c1cccnc1N(C)C)C1CC1 151477297 CKVGEONJEUDUMY-GFCCVEGCSA-N 263.341 1.302 0 50 CDAA C[C@H](C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1)c1cccnc1 328630244 PQTBIKRPPDYBPD-GXTWGEPZSA-N 299.378 1.424 0 50 CDAA CN(CC1CC1)C[C@H]1CN(Cc2csnn2)CCO1 328655016 XYFVQVNZWDKFLK-ZDUSSCGKSA-N 282.413 1.081 0 50 CDAA Cc1cc(=O)c(OC[C@@H]2CCCS(=O)(=O)C2)co1 328856109 XFDKXIOBYSCAFB-JTQLQIEISA-N 272.322 1.152 0 50 CDAA CSc1ccccc1CN1CCO[C@H](C(N)=O)C1 216445047 CGXPOGOHNJEZDL-NSHDSACASA-N 266.366 1.095 0 50 CDAA O=C(c1cnccn1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 329033530 MAZLPMHAPNPBLW-NSHDSACASA-N 298.350 1.492 0 50 CDAA N[C@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)CC1 72146668 BRGSNGNGCDVSEO-LBPRGKRZSA-N 288.351 1.478 0 50 CDAA CCOc1ccc(CCCNS(C)(=O)=O)cc1 71385186 PRARTVXVKDDXLD-UHFFFAOYSA-N 257.355 1.567 0 50 CDAA C[C@]12CCN(C(=O)c3cnn4ncccc34)C[C@H]1C2(F)F 329191621 SLSMZPBJZTVVEA-YPMHNXCESA-N 292.289 1.847 0 50 CDAA CN(C)c1cc(CSCc2nnnn2C2CC2)ccn1 127379266 FOOTWGKQSDFAOH-UHFFFAOYSA-N 290.396 1.902 0 50 CDAA COc1cc(F)c(C(=O)N[C@@H]2CCOC2)c(F)c1 216357580 KFJVGUOUBYMLMX-SSDOTTSWSA-N 257.236 1.492 0 50 CDAA COCC[C@@H]1COCCN1C(=O)Cc1ccoc1 330929191 YHNHQGMXRWTWGX-GFCCVEGCSA-N 253.298 1.086 0 50 CDAA O=C([C@@H]1CCCOC1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 341193533 SVTKRVKZMHFROI-IPYPFGDCSA-N 265.353 1.583 0 50 CDAA CN(CC1CCOCC1)C(=O)c1cncc(F)c1 121762135 FJYJRMFLBYJAHS-UHFFFAOYSA-N 252.289 1.719 0 50 CDAA O=C(O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 37418088 LBXKCOPMMZAIMQ-UHFFFAOYSA-N 269.322 1.310 0 50 CDAA O=C([C@@H]1C[C@H]1C1CCNCC1)N1CCC2(CCNC2)CC1 334386019 NUQJKNDBVGTEMZ-LSDHHAIUSA-N 291.439 1.224 0 50 CDAA O=C(c1ccc(-c2ncon2)cc1)N1CCO[C@@H](C2CC2)C1 368890006 SKNYMDQLDGIYAS-CQSZACIVSA-N 299.330 1.988 0 50 CDAA CN(C)Cc1nnc(C(=O)N(C)Cc2ccc(F)cc2)o1 71763273 BQCWXZHETFWXKN-UHFFFAOYSA-N 292.314 1.543 0 50 CDAA CSCC[C@H](N)C(=O)Nc1ccc(-n2ccnn2)cc1 156902554 QQEHEWSPLHVVHN-LBPRGKRZSA-N 291.380 1.286 0 50 CDAA Cc1cc(=O)n(CC(=O)Nc2cc(F)ccc2F)nc1C 72116097 XMRVGGREBZVYTO-UHFFFAOYSA-N 293.273 1.777 0 50 CDAA CC[C@H]1COCCN1CCC(=O)NCc1ccc(F)cc1 77406845 HQMMYBFOBXYALR-HNNXBMFYSA-N 294.370 1.943 0 50 CDAA CCc1nc(C)cc(N(C)C[C@@H]2C[C@H](OC)CN2C)n1 284667999 YLCRZWGWFWGMQQ-STQMWFEESA-N 278.400 1.503 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2ncc(C3CC3)o2)C1 284625149 NHFSVMFVEMDDQW-MNOVXSKESA-N 289.339 1.632 0 50 CDAA CCNC(=O)C[C@H]1CCCCN1Cc1cccnc1 284881698 SYUIJHVAGPJPRS-CQSZACIVSA-N 261.369 1.962 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)c2ccc3nnc(C)n3c2)C1 457874906 IZIXIGZLDUFCTC-TXEJJXNPSA-N 274.324 1.335 0 50 CDAA O=S(=O)(c1cccs1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 227287428 ZACOVLKABLFGPU-GWOFURMSSA-N 285.390 1.546 0 50 CDAA Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(CO)C=C[C@@]3(C)O2)cc1 226628061 AHXUMDBVALHBCD-CLROSIBMSA-N 299.326 1.190 0 50 CDAA O=C(NCCc1nccs1)c1nc2ccccc2[nH]1 82271665 CGZFBRODGRAYLC-UHFFFAOYSA-N 272.333 1.992 0 50 CDAA C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCO3)C[C@@H](C)O1 426594878 NTLPJQLGROAIAK-TXEJJXNPSA-N 290.363 1.940 0 50 CDAA O=C(c1cc(-c2ccncc2)n[nH]1)N1CCSCC1 97346943 WDLKIGATQJEKSF-UHFFFAOYSA-N 274.349 1.661 0 50 CDAA CCOC1CCN(C(=O)[C@H](C)n2ccnc2)CC1 426428251 HKTUJBGLBSAUHO-NSHDSACASA-N 251.330 1.472 0 50 CDAA OC[C@]12COc3ccccc3[C@H]1CN(Cc1ncccn1)C2 95499013 KTLGZKGDQJTVFI-RHSMWYFYSA-N 297.358 1.447 0 50 CDAA CN(C)[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1C1CC1 91452043 LHTNNSFOSKTKBS-KGLIPLIRSA-N 259.353 1.494 0 50 CDAA CCCn1ncc(C(=O)N2CC(C)(C)[C@](C)(O)C2)c1C 91288959 YDAYTHPMHHRZQT-OAHLLOKOSA-N 279.384 1.835 0 50 CDAA COC(=O)c1nc(N)c(Br)cc1Cl 145106076 WRVXVTUGOFOAIW-UHFFFAOYSA-N 265.494 1.866 0 50 CDAA Cc1cccc([C@H](C(=O)NCCCC(=O)O)N(C)C)c1 95530499 VJDPMDOBFJGQFQ-CQSZACIVSA-N 278.352 1.579 0 50 CDAA CN(C)c1cnn(CCc2ccc(F)cc2)c(=O)c1 95358869 MGQBOJCWAHPIMT-UHFFFAOYSA-N 261.300 1.691 0 50 CDAA CCc1cc(CN2CCC3(CC2)OCCC[C@H]3O)on1 91872079 NCTPGIPZEOIOOI-CQSZACIVSA-N 280.368 1.743 0 50 CDAA CC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(C)cc2C)C1 334990689 VWRTURCKNXAZKX-OAHLLOKOSA-N 289.379 1.723 0 50 CDAA CC(C)N1CCC[C@@]2(CCN(c3nncs3)C2)C1=O 92045874 ZQPKUEMOVBCZJA-ZDUSSCGKSA-N 280.397 1.765 0 50 CDAA CCCc1ccc(-c2cn(CCN3CCNC3=O)nn2)o1 91574894 MHBIFHLZNGQWBD-UHFFFAOYSA-N 289.339 1.516 0 50 CDAA O=C(NCc1ccc(CO)cc1)c1cc(C(F)(F)F)n[nH]1 97729648 XKIROWQXTXJKRV-UHFFFAOYSA-N 299.252 1.851 0 50 CDAA C[C@H](C(=O)N1CCCC1)N(C)Cc1n[nH]c2c1CCC2 244811729 SKCIUUVOTXDQFY-LLVKDONJSA-N 276.384 1.341 0 50 CDAA C[C@H](C(=O)Nc1nncs1)N1CCOC2(CCCC2)C1 252483308 DYVNQRLRXNRUAU-SNVBAGLBSA-N 296.396 1.510 0 50 CDAA N[C@H]1CCN(CCCOc2ccc(C(=O)O)cc2)C1 252490695 KZDHIUYVZFFYJK-LBPRGKRZSA-N 264.325 1.187 0 50 CDAA Cc1cnccc1CN1CCC2(CC1)OCCC[C@H]2O 252479970 BQXYTMKNEZRXAQ-OAHLLOKOSA-N 276.380 1.896 0 50 CDAA C[C@H](CCC(=O)NCC1(CO)CC1)N1CCCC1 534657461 JGSPZCSEIUSFMP-GFCCVEGCSA-N 254.374 1.140 0 50 CDAA CC(C)CN(Cc1cnn(C)c1)C(=O)NCCC(=O)O 263340025 FBNKUMRBUDUFAJ-UHFFFAOYSA-N 282.344 1.062 0 50 CDAA C/C=C/C(=O)N(CCO)Cc1cccc(OCC)c1 534653036 JFDXPMNZAOKRSE-ZZXKWVIFSA-N 263.337 1.982 0 50 CDAA Cc1nccc(=NCCN2CCc3ccccc3C2)[nH]1 361160379 XIBKTGPMJVIKSS-UHFFFAOYSA-N 268.364 1.677 0 50 CDAA O=C1C[C@@H](C(=O)O)Cc2nc(NC(=O)C3CCC3)sc21 299760372 FXLQGRHYQVAOQU-ZETCQYMHSA-N 294.332 1.711 0 50 CDAA Clc1cnc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)nc1 299757795 NJVPOJCNYPWGKV-QWRGUYRKSA-N 292.730 1.072 0 50 CDAA CN(C)C(=O)c1cccc(CNC(=O)[C@@H]2CCCN2C)c1 299613264 ZCQLAQZQYOSEPY-AWEZNQCLSA-N 289.379 1.099 0 50 CDAA CN(C)C(=O)c1cc(CN)cc(NC(=O)c2ccccn2)c1 299779930 QTTFJUXOKWEHSC-UHFFFAOYSA-N 298.346 1.494 0 50 CDAA C[C@@H](NC(=O)CCS(C)(=O)=O)c1cc(F)cc(F)c1 822254002 ZWMUHTVIJOKYES-MRVPVSSYSA-N 291.319 1.577 0 50 CDAA Cc1ccc2nc(CNC(=O)N3CC[C@H](N)C3)[nH]c2c1C 826951625 QQRGEZZKVDIWNW-NSHDSACASA-N 287.367 1.422 0 50 CDAA O=C1C[C@@H](N=c2cc[nH]cc2)CN1Cc1ccccc1 828248052 KIQQJGLRZXJFGS-OAHLLOKOSA-N 267.332 1.717 0 50 CDAA Cc1nc(CNC(=O)c2cncc(F)c2)n(C)c1C 1857689151 HAZHVKKENIMYSY-UHFFFAOYSA-N 262.288 1.501 0 50 CDAA Cc1c[nH]c(C(=O)NCCN2[C@@H](C)CCC[C@H]2C)n1 584899536 RIUBWWGRLINFBA-TXEJJXNPSA-N 264.373 1.711 0 50 CDAA COc1ccccc1O[C@@H](C)C(=O)N(C)CC1(C)COC1 584899405 CFLNNOWWQDCZAN-LBPRGKRZSA-N 293.363 1.957 0 50 CDAA C[C@@H](NS(C)(=O)=O)c1cnn(-c2ccccc2F)c1 822273281 DQDKIFIDRIDANN-SECBINFHSA-N 283.328 1.622 0 50 CDAA O=C(NC[C@H]1C[C@H]2CCCC[C@@H]2O1)[C@@H]1CCCO1 1857527705 JQLPRNDQLWVZOS-NDBYEHHHSA-N 253.342 1.629 0 50 CDAA CCCN1C[C@@H](n2cnc3c(C)csc3c2=O)CC1=O 584891268 MLQITQQFSOSTII-JTQLQIEISA-N 291.376 1.950 0 50 CDAA CCN=c1[nH]c(C)c(C(=O)N2CCO[C@H](C3CC3)C2)s1 584886597 HEXIDHCSMKVFBE-NSHDSACASA-N 295.408 1.556 0 50 CDAA O=c1c2nccnc2ncn1CCC[C@H]1CCOC1 584902675 IYNVCNXGZWZHTP-JTQLQIEISA-N 260.297 1.003 0 50 CDAA Cc1ccc2nc(C)c(NC(=O)[C@H]3CCCNC3)n2c1 585139740 XEEBHVALJNZOEL-LBPRGKRZSA-N 272.352 1.889 0 50 CDAA NC[C@H]1CC[C@H](Nc2cc(N3CCOCC3)ncn2)CC1 630556899 MINLMFTWSOCHCU-JOCQHMNTSA-N 291.399 1.243 0 50 CDAA Cc1nn(CCCNC(=O)c2c(C)ncn2C)c(C)c1C 670467445 POHJVXKQVVURGJ-UHFFFAOYSA-N 289.383 1.670 0 50 CDAA Cc1nnc(N2C[C@@H](C(=O)N3CCCCC3)CC2=O)s1 1857730237 NQKVPPXSVFZLLX-JTQLQIEISA-N 294.380 1.212 0 50 CDAA Cn1nc(Br)c(Br)c1C=O 1875389836 RGLRXPJABVDMMK-UHFFFAOYSA-N 267.908 1.758 0 50 CDAA COC(=O)C[C@@H]1CCN(C(=O)c2cn[nH]c2)C2(CC2)C1 1875308416 FOILNBHVBWHDHP-JTQLQIEISA-N 277.324 1.358 0 50 CDAA Cc1ncsc1-c1nccn1[C@@H]1CN[C@@H](CO)C1 1857738117 RTLDRFPQWINLPQ-ZJUUUORDSA-N 264.354 1.210 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cnc2[nH]ncc2c1 1875276997 VMPUDRJUCQVCPI-BXKDBHETSA-N 273.340 1.300 0 50 CDAA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(C)=O)C[C@H]12 1857738522 LPHMOJYGUUOBKU-BQUFFADESA-N 251.326 1.466 0 50 CDAA CCc1ncnc(N[C@@H]2CC=CC[C@H]2C(N)=O)c1F 952989369 WRDXHLZRGNMLMR-PSASIEDQSA-N 264.304 1.410 0 50 CDAA COCCC(=O)Nc1nnc(-c2sc(C)nc2C)o1 1875250211 GMQWGGVUYRLVJO-UHFFFAOYSA-N 282.325 1.785 0 50 CDAA O=C(N[C@@H](CC(F)(F)F)C1CC1)c1ccn2nnnc2c1 888092873 MJHSGFCGOUADDI-VIFPVBQESA-N 299.256 1.585 0 50 CDAA C=CC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 888098474 ISRNQYNVNYILHG-SMDDNHRTSA-N 262.284 1.400 0 50 CDAA Cc1nc(O)cc(N2CCC[C@H](c3cc[nH]n3)C2)n1 891920576 HLLNWUYGGGXNIF-JTQLQIEISA-N 259.313 1.598 0 50 CDAA CC(C)N(Cc1cn(-c2cnnn2C)nn1)C(C)C 899725539 XETNRTSSZFOBFN-UHFFFAOYSA-N 263.349 1.015 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1n[nH]c(C)c1Cl 1565509691 ZTRFESKZROAELJ-IUCAKERBSA-N 287.747 1.295 0 50 CDAA Cc1nc(S(C)(=O)=O)ccc1Br 118663158 QASCEOWFAKTDDI-UHFFFAOYSA-N 250.117 1.556 0 50 CDAA CCOC1CC(O)(CNC(=O)c2ccc(Cl)c(O)c2)C1 1362754971 AFAWCMMHXRKTIP-UHFFFAOYSA-N 299.754 1.705 0 50 CDAA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CN[C@H]1CCSC1 548021413 BMKIPFBMDGLWBF-AVGNSLFASA-N 298.431 1.428 0 50 CDAA CCc1sc(C(=O)NCCNC(=O)C2CC2)cc1C 170060524 DXHSAHCILIVTIR-UHFFFAOYSA-N 280.393 1.875 0 50 CDAA COC(=O)[C@H](CCOC(C)C)N[C@@H]1CCSC1 170616008 POJZCMBIZPLCIP-MNOVXSKESA-N 261.387 1.438 0 50 CDAA C[C@H]1c2cccn2CCN1C(=O)NCCn1cccn1 172035028 YWACRBSKJAGMIF-LBPRGKRZSA-N 273.340 1.471 0 50 CDAA CCN(CC)CC[C@H](CO)NCc1ccoc1C 585118098 BHGUEYINFMNQOJ-CQSZACIVSA-N 254.374 1.770 0 50 CDAA C[C@H]1OCC[C@@H]1Nc1ccc2c(c1)CN(CC(N)=O)CC2 408515061 CQMUIGKRWFDLAX-ABAIWWIYSA-N 289.379 1.119 0 50 CDAA Cn1[nH]c([C@@H]2CCCN2c2nc3ccccc3o2)nc1=N 408524398 TZUCSHBUUUKLKI-JTQLQIEISA-N 284.323 1.710 0 50 CDAA O[C@@]1(Cn2cc(-c3cc(F)cc(F)c3)nn2)CCCOC1 641217908 RTOBWMPBSAEYIF-CQSZACIVSA-N 295.289 1.765 0 50 CDAA COc1cccc(CNC(=O)[C@H]2CCCO[C@@H]2C)n1 190791377 MFIVDALKGONUJO-PWSUYJOCSA-N 264.325 1.522 0 50 CDAA CC[C@H](C)C[C@H]1NC(=O)N([C@H](C)Cn2cccn2)C1=O 570803389 QMTNOTXIMMKWMS-QJPTWQEYSA-N 278.356 1.628 0 50 CDAA CN(Cc1cnccn1)[C@H](C(=O)O)c1ccsc1 577499257 RYSNDFCEMPIVMT-NSHDSACASA-N 263.322 1.796 0 50 CDAA CC(=O)NC[C@@H](C)N(C)C(=O)c1cc(C(F)(F)F)no1 1426562400 WMVFYTBNLVMEHP-ZCFIWIBFSA-N 293.245 1.290 0 50 CDAA CCOCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 221023216 BFZJMXRKIBMNJT-VWYCJHECSA-N 255.314 1.267 0 50 CDAA COc1ccc(NC(=O)C(=O)NC2CCCC2)cc1 2055898 URIHIVQKLCOWPS-UHFFFAOYSA-N 262.309 1.693 0 50 CDAA CCN1C[C@@H](CN(C)c2ccncc2F)CC1=O 1529177527 AUYGAHFNCZXFRF-SNVBAGLBSA-N 251.305 1.525 0 50 CDAA CC(C)c1noc([C@@H](C)Nc2cc3nncn3c(N)n2)n1 1529178199 KKZDGRDWBMEFQG-SSDOTTSWSA-N 288.315 1.386 0 50 CDAA COc1cccc([C@@H](C)N(C)CCn2cnnc2)c1 1529189140 IGKWRYPIIGXHRA-GFCCVEGCSA-N 260.341 1.980 0 50 CDAA CCN(C[C@H]1CCCCO1)c1nc(C)cc(C(=O)O)n1 1529151776 FBKWHAPFSKAMTA-LLVKDONJSA-N 279.340 1.879 0 50 CDAA N[C@@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 132637137 LFVXKWGHALFBBF-LDYMZIIASA-N 268.407 1.638 0 50 CDAA C[C@H]1C(S(C)(=O)=O)=NNc2c(-c3ccccc3)cnn21 1548338224 KEBKBISAJOGBTJ-VIFPVBQESA-N 290.348 1.895 0 50 CDAA COC(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1 370236 VXHWOJNPZOKEHB-UHFFFAOYSA-N 259.187 1.843 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1N1CCCC1)c1ccccc1O 1616031788 AIQDOKLLQZJTNX-ZIAGYGMSSA-N 290.363 1.375 0 50 CDAA Cc1ccccc1OCCCN1CC[C@]2(CNCCO2)C1 1616035977 CDQYFDZRRJNVFS-KRWDZBQOSA-N 290.407 1.828 0 50 CDAA CC(C)(NC(=O)NC[C@@]1(C)CCCO1)[C@@H](O)C(F)(F)F 1615055459 BSTOCQYNMHFGKZ-LDYMZIIASA-N 298.305 1.557 0 50 CDAA CO[C@H]1CCCC[C@@H]1NC(=O)c1cnn2ccc(N)cc12 1615553777 NLAPLLZCMAHVGW-JSGCOSHPSA-N 288.351 1.604 0 50 CDAA COc1ccc(OC)c(-n2c(C)nnc2S)c1 5571464 DSATXMLZZQOMDP-UHFFFAOYSA-N 251.311 1.882 0 50 CDAA O=C(CCc1[nH]nc2c1CCCC2)N1CCCCO1 19301165 NLFBYVLBGUSOMG-UHFFFAOYSA-N 263.341 1.775 0 50 CDAA COc1ccccc1C(=O)NCCCN1CCCC1=O 2872700 OTWQRDCJQDBHLJ-UHFFFAOYSA-N 276.336 1.438 0 50 CDAA Cc1ccnc(SCC(=O)Nc2nncs2)n1 6699688 UWWSZVHCVQXEQQ-UHFFFAOYSA-N 267.339 1.367 0 50 CDAA N=c1[nH]c(CCC(=O)N2CC[C@@H]3NCCC[C@@H]3C2)cs1 1857678589 ORIHABNTMXEFFF-PWSUYJOCSA-N 294.424 1.089 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1CCCc1nc2ccccc2[nH]1 1857686894 GVRZUBAKRNESGD-ZIAGYGMSSA-N 284.363 1.458 0 50 CDAA COc1cc(-c2nccn2CCCc2nn[nH]n2)ccn1 1857693373 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223698812 GYJJMRZAGLVLCL-LLVKDONJSA-N 274.280 1.456 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@@H]1CCNC[C@H]1C 262811705 YFUYOUUCPCWPGO-DGCLKSJQSA-N 282.409 1.525 0 50 CDAA Cn1ncc2c(N[C@@H](CO)CC(C)(C)C)ncnc21 178778454 ZXYOANXPIYTASM-SECBINFHSA-N 263.345 1.572 0 50 CDAA COc1c(N)ncnc1N1CCC(n2ccnc2)CC1 519181640 KUJDJQSHWQDRNR-UHFFFAOYSA-N 274.328 1.105 0 50 CDAA CCNc1nc(C)cc(N2CCN(C(=O)CC)CC2)n1 82230296 KCEOEBKCBNFKDD-UHFFFAOYSA-N 277.372 1.275 0 50 CDAA NCC[C@H]1CN(c2ccnc(C(F)(F)F)n2)CCO1 91663404 ZJSBGGIXWYWBMF-QMMMGPOBSA-N 276.262 1.049 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)O)c(C)s1 715137947 RBDXIBOJAAPXCD-ONGXEEELSA-N 283.349 1.584 0 50 CDAA Cc1nc(C)c(Cn2cc(CC[C@H](C)O)nn2)o1 899739253 FPLUUEBNZRQZII-QMMMGPOBSA-N 250.302 1.245 0 50 CDAA Cc1ccc2nnc(CNC(=N)NCCC(C)C)n2n1 2325746111 AZUZHVHZXFMOPW-UHFFFAOYSA-N 275.360 1.093 0 50 CDAA CN(CCN1CCCC1=O)C(=O)c1cnc2cccnc2c1 2325766265 MWUHYFZKIZXCRK-UHFFFAOYSA-N 298.346 1.324 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](O)C(C)C)c(F)c1 2325776771 XEWPTYVNIQDUON-GXFFZTMASA-N 289.372 1.818 0 50 CDAA CN(C)[C@H]1C[C@H](C(=O)N2CCC(c3cn[nH]c3)CC2)C1 2325784812 LCNUYTOIVQUCOE-MQMHXKEQSA-N 276.384 1.456 0 50 CDAA C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CC(c2nn[nH]n2)C1 2325802013 BEMMQDPJIMFLPL-SWLSCSKDSA-N 283.335 1.103 0 50 CDAA O=C(NCCC1CCNCC1)c1ccc(-c2cn[nH]c2)cn1 876952065 TZBHDMFDOPCRJW-UHFFFAOYSA-N 299.378 1.591 0 50 CDAA O=C(C[C@H](C(=O)O)[C@H]1CCCO1)NCc1ccccc1 31891 QHAHXMVJTKMDFO-QWHCGFSZSA-N 277.320 1.573 0 50 CDAA CC(C)C[C@@H](NN1C(=O)c2ccccc2C1=O)C(=O)O 410073 FHMNHRUSKTWERX-LLVKDONJSA-N 276.292 1.287 0 50 CDAA Cn1nnc2cc(NC(=O)NCc3ccco3)ccc21 470056 KCZRQAWLAXLQLE-UHFFFAOYSA-N 271.280 1.883 0 50 CDAA COCCCN1C(=O)c2ccc(C(=O)O)cc2C1=O 1910676 FDOUOUHZOGGPIV-UHFFFAOYSA-N 263.249 1.017 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@]23C=C[C@]12CC(C)(C)C3 104291813 JREVYNUBLHSBBO-GREKMHCPSA-N 285.347 1.377 0 50 CDAA O=c1ccn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]1 1389461 QAVWHTSJMMPQHH-UHFFFAOYSA-N 291.616 1.593 0 50 CDAA CN1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 100016638 RKUNBYITZUJHSG-DZKIICNBSA-N 289.375 1.931 0 50 CDAA biogenic,in-man COc1cc(C(=S)N2CCOCC2)ccc1O 100037272 WQYRHRAZNNRDIA-UHFFFAOYSA-N 253.323 1.409 0 50 CDAA biogenic,in-man OCCn1ncc2c1CN(c1nc(-c3ccccc3)no1)C2 67694494 GJJSOWYSMHNOQJ-UHFFFAOYSA-N 297.318 1.446 0 50 CDAA CN1CCCC2(CC1)CCN(c1nccc(N)n1)CC2 1506426758 KGBOXHYOOSRNOT-UHFFFAOYSA-N 275.400 1.761 0 50 CDAA CC(C)NC(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 250731606 IVSRXQUZNNTSHP-TUAOUCFPSA-N 268.357 1.229 0 50 CDAA CN1CCC(C)(C(=O)NCCC[C@H]2CCOC2)CC1 67679159 ORUUWQSYUINWSE-ZDUSSCGKSA-N 268.401 1.651 0 50 CDAA CC[C@@H]1Cc2ccccc2CN1S(=O)(=O)NC 352158571 LANPPFYJXXEERU-GFCCVEGCSA-N 254.355 1.288 0 50 CDAA COCc1ccc(C(=O)N2CCOC[C@@H]2c2ncon2)o1 331670080 ULXMSISUERMKBC-SNVBAGLBSA-N 293.279 1.023 0 50 CDAA CC(=O)Nc1c(N(C)C)cnn(-c2ccccc2)c1=O 23115132 NQQJQHOLCQFHIS-UHFFFAOYSA-N 272.308 1.257 0 50 CDAA CCc1nc(C)c(C(=O)NCCSc2ncn[nH]2)o1 20541297 LGFCCWOVSBRLPK-UHFFFAOYSA-N 281.341 1.186 0 50 CDAA C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)CCC[C@H]1C 252511662 JCUFBQMSKCSHFM-UHXUPSOCSA-N 278.396 1.938 0 50 CDAA O=C(c1ccccn1)N1CCC[C@H](c2nnc(O)o2)C1 332245172 BFTXUFUYPJVNAR-VIFPVBQESA-N 274.280 1.190 0 50 CDAA CN1CCCN(Cc2nc(Cc3ccccc3)n[nH]2)CC1 65408236 WDHBPAFRQVODQE-UHFFFAOYSA-N 285.395 1.533 0 50 CDAA CCc1cc(N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)nc(C)n1 253397478 VEZONIJNJDZPJE-RRFJBIMHSA-N 291.395 1.714 0 50 CDAA CCN(CCO)S(=O)(=O)c1cc(F)ccc1Cl 124080188 IPIRFKOETQMIBT-UHFFFAOYSA-N 281.736 1.482 0 50 CDAA CC(C)(C)OC(=O)CN1CCN(CC(F)(F)F)C(=O)C1 253417504 HOBAVRDDMKPLNL-UHFFFAOYSA-N 296.289 1.035 0 50 CDAA COCc1ncsc1C(=O)N[C@H]1CCCC[C@@H]1OC 253415335 AZAWVZSEURJZSC-ONGXEEELSA-N 284.381 1.977 0 50 CDAA Cc1nsc(N2C[C@H](c3cnn(C)c3)[C@@H](C(=N)O)C2)n1 328941644 LCVYKCZMBLMWLS-ZJUUUORDSA-N 292.368 1.335 0 50 CDAA O=C([C@H]1CCCCS1(=O)=O)N(CC1CC1)C1CCC1 329018684 RPWSZKSYQKGVHQ-CYBMUJFWSA-N 285.409 1.745 0 50 CDAA CS(=O)(=O)[C@@H]1CCCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)C1 360204450 LXMZEMBTPFYLFG-XDQVBPFNSA-N 269.410 1.708 0 50 CDAA Cc1cc(N[C@@H](C)c2nnn[nH]2)nc(N2CCCCC2)n1 32580931 IGBAJMCSQKVYFL-JTQLQIEISA-N 288.359 1.462 0 50 CDAA O=C1CN(C(=O)c2cc3occc3[nH]2)[C@@H]2CCCC[C@H]2N1 153676720 SCFSRMDVFUXJTK-BXKDBHETSA-N 287.319 1.644 0 50 CDAA Cn1ccnc1C(=O)NCc1noc(C2CCCC2)n1 215320356 YMKDYAGUPXAGIN-UHFFFAOYSA-N 275.312 1.391 0 50 CDAA Cc1noc2nc3c(c(C(=O)N[C@H]4CC[C@H]4N)c12)CCC3 72148432 WKTFNYPDACHACZ-KOLCDFICSA-N 286.335 1.239 0 50 CDAA CC(C)[C@@]1(CO)CCN(C(=O)CCOC2CCOCC2)C1 378063509 WDXXQQZPFAUOKP-INIZCTEOSA-N 299.411 1.439 0 50 CDAA Cc1cc([C@@H]2CN(C(=O)[C@H]3CCCN3)CCO2)ccc1F 237876124 CVFLWNWQJYWYBW-CABCVRRESA-N 292.354 1.786 0 50 CDAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)C12CCC(CC1)C2 334982205 BOADCSRLAHXRLO-HCEZTOJASA-N 292.423 1.888 0 50 CDAA O=C(C1CN(C2CCCCC2)C1)N1CCCc2n[nH]cc21 335166913 CURXJEVJNGSWDH-UHFFFAOYSA-N 288.395 1.953 0 50 CDAA O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc(CO)c(F)c1 335458497 HVLBCLLGQYVATM-NSHDSACASA-N 289.310 1.328 0 50 CDAA C[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1ccn(C)n1 335406543 FMJJOCDHYAAAHI-PWSUYJOCSA-N 271.386 1.667 0 50 CDAA CC(C)OC(=O)c1ccnc(N2CCOCC2)c1 42684212 BLJJDVQGUFRTDI-UHFFFAOYSA-N 250.298 1.483 0 50 CDAA CCCCOCC(=O)N1CCN(c2ccnc(C)c2)CC1 223010557 SZCNCSSKUQWOEZ-UHFFFAOYSA-N 291.395 1.855 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(N)nc1 221162961 CPFBLDOBIAIUMF-GFCCVEGCSA-N 263.341 1.695 0 50 CDAA COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCC1=O 84316914 IDSNQTJSDFUAEV-CYBMUJFWSA-N 271.313 1.376 0 50 CDAA O=C([C@H]1CCc2ccccc21)N1CCN(c2nc[nH]n2)CC1 426691312 QTEQGZCFDRWASQ-AWEZNQCLSA-N 297.362 1.183 0 50 CDAA CCNC(=O)[C@@H]1CCC[C@@H](C(=O)NCC)C1N1CCCC1 96026865 GOOWOXXQXVQZBW-CHWSQXEVSA-N 295.427 1.139 0 50 CDAA OCCn1nc(-c2ccco2)nc1-c1n[nH]c2c1CCC2 96147851 ZWNRUYFAUDGRCR-UHFFFAOYSA-N 285.307 1.409 0 50 CDAA CCOCCc1nc(Cc2csc(C)n2)n(C)n1 91643759 VYDJKFLHHUCNSV-UHFFFAOYSA-N 266.370 1.750 0 50 CDAA Cc1nn(C)c(C)c1CCc1nc([C@@H]2CCOC2)no1 96166780 ZAJBUTQLNPSRQM-LLVKDONJSA-N 276.340 1.709 0 50 CDAA CNCCCCNC(=O)c1sc(C)cc1OC 97776132 GNSXCSRLOIXXSJ-UHFFFAOYSA-N 256.371 1.795 0 50 CDAA O=C(CN1CCCC1=O)Nc1ccc2nc(S)oc2c1 163555446 OJJWNYLQGSRSMY-UHFFFAOYSA-N 291.332 1.677 0 50 CDAA Cc1csc(CCCNC(=O)Cn2nc(C)cc2N)n1 244787633 QAMWTAAUECVOQN-UHFFFAOYSA-N 293.396 1.288 0 50 CDAA CCc1nc(CN2CCN[C@H](c3ccccc3)C2)no1 244872944 WHJDHYBTZFAPBX-ZDUSSCGKSA-N 272.352 1.779 0 50 CDAA Cn1nnc2c(NCC3CCSCC3)ncnc21 521395310 FRSOUQBWKDFTQZ-UHFFFAOYSA-N 264.358 1.313 0 50 CDAA Cn1ccc2c(OCC(=O)NCCn3cccn3)cccc21 252501747 UJFOHCLNYIOHIL-UHFFFAOYSA-N 298.346 1.570 0 50 CDAA CC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 252527621 CZXAQTMVKCJOSM-VNHYZAJKSA-N 261.321 1.570 0 50 CDAA CN(CCOc1ccccc1F)C(=O)[C@@]1(F)CCNC1 299738636 DJLWVEUCSJJBMK-CQSZACIVSA-N 284.306 1.365 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccc(C(N)=O)s2)[C@@H]1CN 299739073 KGSYODOZTGVROB-DTWKUNHWSA-N 281.381 1.046 0 50 CDAA CC[C@@H](CNC(=O)N(C)Cc1ncc(C)[nH]1)N(C)CC 534653355 ODFMKYUPXFPHSX-LBPRGKRZSA-N 281.404 1.590 0 50 CDAA Fc1c[nH]ccc1=N[C@@H]1CCCN(c2ncccn2)C1 641298449 DRUJPVQVDHCLRV-LLVKDONJSA-N 273.315 1.514 0 50 CDAA CC1(C)SC[C@H](C(=O)NC(C2CC2)C2CC2)NC1=O 584899321 CSSRYOROSPOHFG-SNVBAGLBSA-N 282.409 1.301 0 50 CDAA CC[C@H]1CN(C(=O)CCc2cccn2C)CCO1 584888664 YEQKVXAOJCXXHK-ZDUSSCGKSA-N 250.342 1.595 0 50 CDAA CC(C)O[C@H]1CN(C(=O)Cc2cccs2)C[C@@H]1O 584886189 LIZRSZLDAPSPBG-RYUDHWBXSA-N 269.366 1.287 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)c1cncnc1 584903598 WZJCEONVWYPFLH-UHFFFAOYSA-N 262.357 1.423 0 50 CDAA N=c1[nH]c(CNC(=O)[C@@H]2CCc3ccccc32)cs1 584900396 VUFGPPMGPYEGTB-GFCCVEGCSA-N 273.361 1.902 0 50 CDAA COc1ccc(C(=O)N2CCc3nocc3C2)c(OC)n1 670439279 NCHAGQBAKNLQRQ-UHFFFAOYSA-N 289.291 1.285 0 50 CDAA Cc1nn(CCO)c(C)c1CN(C)CCCn1cccn1 670457007 BQJSOSCFNFUZPN-UHFFFAOYSA-N 291.399 1.211 0 50 CDAA Cc1ccc(N2CCN(CCn3cnnc3)[C@H](C)C2)cc1 670472618 GFRRHYCIZYMDJD-OAHLLOKOSA-N 285.395 1.797 0 50 CDAA Cc1nc(N(C)CC(=O)N(C)C)ccc1Br 223875639 XIKOBLMEFYCVLC-UHFFFAOYSA-N 286.173 1.677 0 50 CDAA NC(=O)c1ccc(C2CCN(c3ccc(O)nn3)CC2)cc1 685944157 SDYWRVGUTLGTNH-UHFFFAOYSA-N 298.346 1.665 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H]2CSC)CC1 1875369561 VXALQDHKGCHKNE-ZDUSSCGKSA-N 296.436 1.765 0 50 CDAA C[C@H](O)CN(C=O)Cc1ccc(Br)c(F)c1 1875325115 HXPYKDWZAIIRFU-QMMMGPOBSA-N 290.132 1.927 0 50 CDAA COCCc1nsc(N2CC(C)(c3nnc(C)o3)C2)n1 952895373 UQQZRMFOQGGUNC-UHFFFAOYSA-N 295.368 1.196 0 50 CDAA C[C@H]1CNCC[C@H]1CN1CCCc2c(cnn2C)C1 952892052 KDZOYZGCQNUADG-STQMWFEESA-N 262.401 1.414 0 50 CDAA CCc1ccc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)o1 952851909 ZSEQGCKWNAGYGM-VIFPVBQESA-N 274.324 1.777 0 50 CDAA CCc1nc(C(=O)N(C)c2ncc(OC)cn2)cs1 1875276020 CYHFSANVSYXKBK-UHFFFAOYSA-N 278.337 1.781 0 50 CDAA O=C(NN1CCCNC1=O)c1ccnc(C2CCCC2)n1 1875258961 MHINZLUPRMTUGL-UHFFFAOYSA-N 289.339 1.194 0 50 CDAA CN(C)CC(=O)NCc1nc2ccc(F)c(F)c2[nH]1 1875275583 ZBLAGROAPZXYQC-UHFFFAOYSA-N 268.267 1.019 0 50 CDAA NC[C@@]1(C2CCOCC2)CCN(C(=O)c2ccsc2)C1 1875277838 IYVWPEKLEUNULU-HNNXBMFYSA-N 294.420 1.966 0 50 CDAA CN(C)C(=O)C1(NC(=O)C2CCCC2)CC(F)(F)C1 1875297504 UIEPWEXTBSAHID-UHFFFAOYSA-N 274.311 1.549 0 50 CDAA CCn1ncc(NC(=O)CCN2CCCC2=O)c1C 874818475 MZDSXJAPLHKAGX-UHFFFAOYSA-N 264.329 1.162 0 50 CDAA OC[C@H]1CCCN(CCNc2ccc(Cl)cn2)C1 952962391 BCHVVVUYYQGMAD-NSHDSACASA-N 269.776 1.851 0 50 CDAA C[C@@H](CN(C)C(=O)c1ccc2nonc2c1)C(=O)O 888098645 MVCZZULBAOTXCI-ZETCQYMHSA-N 263.253 1.016 0 50 CDAA c1csc([C@@H]2CN(c3nccn4ccnc34)CCO2)n1 892245673 YJZZUTIOEWNXQA-JTQLQIEISA-N 287.348 1.764 0 50 CDAA N[C@H]1C[C@@H](NC(=O)c2cccc3c2CCNC3)C12CCC2 1775961159 DGNPFQHFBKSKAA-LSDHHAIUSA-N 285.391 1.332 0 50 CDAA O=S(=O)(Nc1cncc(F)n1)c1cnn(C2CCC2)c1 1775992841 NPDVPVWUYVDCTF-UHFFFAOYSA-N 297.315 1.338 0 50 CDAA C=CC(=O)NC[C@H](c1nnc2ccc(C)nn12)C(C)C 1776000226 PYNHTUICNJXNLJ-NSHDSACASA-N 273.340 1.475 0 50 CDAA CCOC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)C2 38682171 MHWYLDOKAIBUKI-UHFFFAOYSA-N 281.312 1.837 0 50 CDAA in-vitro O[C@H]1CN(c2ccnc(N3CCCCC3)n2)CC12CC2 548286253 WVEBTAZOWHQSIW-LBPRGKRZSA-N 274.368 1.428 0 50 CDAA C[C@@H]1COc2ccccc2CN1C(=O)c1csnn1 273032038 FOYRIJJASPWBIR-SECBINFHSA-N 275.333 1.961 0 50 CDAA Cc1noc([C@@H]2CC[C@H](CNc3ncc(F)cn3)O2)n1 275416881 QXKHNLBOSSPQKI-ZJUUUORDSA-N 279.275 1.639 0 50 CDAA CN(Cc1ncccn1)[C@H]1CCN(C(=O)C(C)(C)F)C1 275909535 JCEGXAVQJDKXEA-NSHDSACASA-N 280.347 1.257 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCOC(=O)N2)CC1 91368660 ALBKRMFHLDKJRQ-UHFFFAOYSA-N 270.329 1.886 0 50 CDAA in-vitro O=C(c1cc2cc(F)ccc2[nH]1)N1CC[C@@H](CO)[C@H](O)C1 215505064 IBOZZKWIIORBLK-LKFCYVNXSA-N 292.310 1.122 0 50 CDAA C[C@@H]1CN(C(=O)CCCOc2ccccc2F)CCN1 188446313 MZLUXKZGDBLUQL-GFCCVEGCSA-N 280.343 1.805 0 50 CDAA Cc1nn2c(nc1=O)-c1ccccc1N1C(=O)CC[C@@]12C 408525793 KMASPMHWDPUMBG-HNNXBMFYSA-N 282.303 1.427 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(CCN2CCCCC2)C1 643856140 VIYLBUVQTFZWRF-KGLIPLIRSA-N 278.400 1.657 0 50 CDAA CCc1ncnc(CC)c1C(=O)NCc1cocn1 645341537 FHAGGAQVAANABG-UHFFFAOYSA-N 260.297 1.519 0 50 CDAA O=C(N[C@@H](CCO)c1ccco1)c1cnn2c1OCCC2 560379581 JGGNXZNYLOEZAD-NSHDSACASA-N 291.307 1.112 0 50 CDAA Cc1nc(C)c([C@H](C)N(C)C(=O)c2cncnc2N)s1 192347725 WVDQINFNMZRCCJ-QMMMGPOBSA-N 291.380 1.965 0 50 CDAA CCc1ccccc1S(=O)(=O)N1CCC[C@@H]1CNC 193300337 CNKLJTMDHWAYSX-CYBMUJFWSA-N 282.409 1.622 0 50 CDAA COc1cc(N2CCN([C@H](C)C(=O)O)CC2)ccc1F 568522253 SMDGDHUFGUNOJU-SNVBAGLBSA-N 282.315 1.429 0 50 CDAA CN(CCC(=O)O)C(=O)c1cccc2c1OCC2(C)C 656235772 UDVIGEXWFPETFH-UHFFFAOYSA-N 277.320 1.903 0 50 CDAA Cc1nnc(CNC(=O)Nc2ccc3nccn3c2)o1 672668374 INFPKSXYFASRBQ-UHFFFAOYSA-N 272.268 1.347 0 50 CDAA CC[C@H](C)[C@H](CN1CCN(C)[C@@H](c2nc(C)no2)C1)OC 583650972 DKFRXFXJWLJOGB-YUTCNCBUSA-N 296.415 1.728 0 50 CDAA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)[C@@H](C)C(F)F 585115760 RCNXOFIYMMVCGT-MUWHJKNJSA-N 296.339 1.795 0 50 CDAA N[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 237922238 RBIASPKQHYTRIG-QMMMGPOBSA-N 272.707 1.418 0 50 CDAA C[C@@H]1CCCn2c(CC(=O)NOCC3CC3)cnc21 1875274285 CREOYDPCQFPKSL-SNVBAGLBSA-N 263.341 1.781 0 50 CDAA Cc1nc[nH]c1CN(CCN(C)C)Cc1ccoc1 1704333149 WSQMMNRBIODHHN-UHFFFAOYSA-N 262.357 1.875 0 50 CDAA COc1ncc(Cl)c(N[C@H](C)C[S@](C)=O)n1 164204310 KLOCOTZCONHHTQ-ADNUTGFCSA-N 263.750 1.318 0 50 CDAA Cc1nsnc1C(=O)NC[C@@H]1C[C@@H]2CC[C@H]1O2 1775984424 TULCBNJMRZYTEX-XHNCKOQMSA-N 253.327 1.144 0 50 CDAA FC(F)(F)c1cccc(OCCN2CCNCC2)c1 20272511 FICXBCGWGHSDJM-UHFFFAOYSA-N 274.286 1.989 0 50 CDAA O=C(CSc1ccccn1)N1CCC(C2(O)CC2)CC1 1772808970 HRZMCEKSMWHCMN-UHFFFAOYSA-N 292.404 1.937 0 50 CDAA Nc1nc(CCC(=O)N2CCC[C@@H](C3(O)CC3)C2)cs1 1772811998 DUVRDRDYAWFRTO-SNVBAGLBSA-N 295.408 1.421 0 50 CDAA CCCC(=O)Nc1nc2nc(C)c(Cl)c(O)n2n1 16527137 OMBSIEHBQODWEM-UHFFFAOYSA-N 269.692 1.530 0 50 CDAA Cc1cc(C)[nH]/c(=N\C(=N)N2CCc3ccccc32)n1 18057243 NLENUXQYGCDSNE-UHFFFAOYSA-N 267.336 1.925 0 50 CDAA CCOc1ccccc1C(=S)NCCN1CCOCC1 19841768 OZOOSAQSGBPFON-UHFFFAOYSA-N 294.420 1.683 0 50 CDAA CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)C1 169676186 YHQVBIYAMICIEJ-VWYCJHECSA-N 297.351 1.145 0 50 CDAA COc1ccc(-c2noc(CN(C)C(C)=O)n2)cc1OC 4943585 LQQNLQIUEXALSQ-UHFFFAOYSA-N 291.307 1.732 0 50 CDAA CCCCOC[C@H](O)Cn1c(CO)nc2ccccc21 2476658 JKTQANWKWFQOKR-GFCCVEGCSA-N 278.352 1.706 0 50 CDAA COCCNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 2817818 IOAWDJVUASEQNI-UHFFFAOYSA-N 270.716 1.350 0 50 CDAA O=C(NCc1ccccn1)C(=O)NC1CCCCC1 3880743 KOJXORBLENEBFI-UHFFFAOYSA-N 261.325 1.147 0 50 CDAA N[C@@H](Cc1cc(Br)c(O)c(F)c1F)C(=O)O 258812001 LCVUFGNIQTYLRS-YFKPBYRVSA-N 296.067 1.387 0 50 CDAA Clc1cnc(N[C@@H]2CCOC2)nc1N[C@@H]1CCOC1 301778181 PYTZVUIFMBJBLX-RKDXNWHRSA-N 284.747 1.532 0 50 CDAA CC(=O)/N=c1\sccn1CC(=O)c1ccc(O)cc1 444903 UTUCKBYGTNJNQT-YPKPFQOOSA-N 276.317 1.585 0 50 CDAA COC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2022604 JSNVOAWDAFVIKY-LLVKDONJSA-N 295.291 1.319 0 50 CDAA in-vitro COCC[C@@H]1COCCN1C(=O)CCc1cncc(F)c1 330914183 IXULVQPAPIGJOR-CQSZACIVSA-N 296.342 1.417 0 50 CDAA CC(C)Oc1ccccc1CC(=O)N1CCNC[C@H]1C 125189566 LWXBTRMBCGWOFY-CYBMUJFWSA-N 276.380 1.837 0 50 CDAA CC(C)CO[C@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 236641306 VIQRJLUTKATOKR-JKSUJKDBSA-N 290.407 1.830 0 50 CDAA Cc1cc(CNC(=O)N2CCOC3(CNC3)C2)ccc1F 333919725 PISFXUIYHHUKNX-UHFFFAOYSA-N 293.342 1.018 0 50 CDAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCCO1)c1cccs1 238129361 QKBJASOYSYKTSD-NXEZZACHSA-N 283.349 1.949 0 50 CDAA Cc1cnc(C(=O)N2CCN(c3cccc(O)c3)CC2)cn1 136042821 RCKYEUZSTSFAGP-UHFFFAOYSA-N 298.346 1.453 0 50 CDAA CN(C)C[C@H](O)CN[C@@H]1CCC[C@H]1Cc1ccccc1 252586183 OAGBLHRSQXVBCI-GVDBMIGSSA-N 276.424 1.910 0 50 CDAA CCOc1cccc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1 263047140 WMHYEMGHVQXDBM-GFCCVEGCSA-N 279.292 1.011 0 50 CDAA CS[C@@H](C)C(=O)Nc1nc(-c2cnn(C)c2)ns1 900800723 DUXTTZFDNBBKEI-LURJTMIESA-N 283.382 1.629 0 50 CDAA C[C@@H](CC(=O)O)n1cc(-c2cnc3cnn(C)c3c2)cn1 901116692 OUHSIISQCRWGDH-VIFPVBQESA-N 285.307 1.868 0 50 CDAA C[C@]12C[C@H]1CN(CC(=O)N1CCc3ccccc31)C2 1772810543 JLGSGGPPQNFXTQ-XJKSGUPXSA-N 256.349 1.918 0 50 CDAA Cn1nnnc1N1CCC[C@H](c2nc3c(s2)CCC3)C1 929059025 OACVVKUAWWDZLG-VIFPVBQESA-N 290.396 1.539 0 50 CDAA O=C(Nc1ccnc2ccnn12)N1CCC[C@@H](CCO)C1 934992447 JYVGRHCRBSXXGD-NSHDSACASA-N 289.339 1.356 0 50 CDAA Cc1nc([C@H]2CCOC2)sc1C(=O)Nc1cnn[nH]1 935595252 WLDYUVRRERFKAW-ZETCQYMHSA-N 279.325 1.326 0 50 CDAA Cc1c(CNCCCOCCO)n(C)c2ccccc12 230783310 HCQHVFJLMQWBRI-UHFFFAOYSA-N 276.380 1.975 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)[C@@H]1CCOc2ccccc21 129231286 XSEXYPWORYSNMO-MBNYWOFBSA-N 274.364 1.891 0 50 CDAA CCC(N)(CC)CNS(=O)(=O)c1ccccc1OC 130050474 MFZSHQCFXZZIQI-UHFFFAOYSA-N 286.397 1.491 0 50 CDAA COCc1cccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1 154181756 DONAKIKZIPTXQQ-RYUDHWBXSA-N 262.353 1.655 0 50 CDAA Cc1nc(CN2CCN(C[C@H]3CCOC3)CC2)cs1 76877305 ONKVOMAFVZCTKR-CYBMUJFWSA-N 281.425 1.606 0 50 CDAA CC(C)N1CCCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 677681785 MAMSONUXKDXOCV-CQSZACIVSA-N 288.457 1.227 0 50 CDAA O[C@H]1CCC[C@H]1N1CCN(CCc2ccccc2)CC1 363437765 WOKSUNPBRCARBP-SJORKVTESA-N 274.408 1.760 0 50 CDAA Cc1ncc(-c2noc([C@@]3(F)CCO[C@@H]3C)n2)c(=N)[nH]1 2325774277 AAXWJNYUWXIJLK-SREIQFSDSA-N 279.275 1.221 0 50 CDAA C[C@H](NC1=NC[C@H]2CC[C@@H](C)CN12)c1ccnn1C 2325801802 XFRZWBFOJMAFFK-GRYCIOLGSA-N 261.373 1.541 0 50 CDAA O=C(c1coc(O)n1)N1Cc2cnc(C3CC3)nc2C1 2325810476 MTRYOOXNEVPSAW-UHFFFAOYSA-N 272.264 1.204 0 50 CDAA C[C@@H](CC(=O)N=c1ccn(C)c(O)n1)c1ccc(F)cc1 892309029 NDDWGQWCFOOTOY-JTQLQIEISA-N 289.310 1.886 0 50 CDAA Cn1nncc1NC(=O)NC[C@@H]1C[C@H]1C(F)(F)F 931276522 KGALURNMAZXNCV-NTSWFWBYSA-N 263.223 1.135 0 50 CDAA COC(=O)C1CCN(c2nc(C(F)(F)F)ns2)CC1 228801379 ICBPVCRDOHZHEJ-UHFFFAOYSA-N 295.286 1.946 0 50 CDAA C[C@H]1OCC[C@@H]1C(=O)NCc1nnc(C2CCC2)n1C 129072323 NFRVBCSIVVTYMJ-KOLCDFICSA-N 278.356 1.124 0 50 CDAA CCOc1ccc([C@@](C)(CC(=O)O)C(=O)O)cc1 50926 JFEOJYQMZAIMPW-CYBMUJFWSA-N 252.266 1.902 0 50 CDAA CCNc1nc(NC(C)C)nc(N2CCCC2)n1 118372 NSCCGNXYUXALPP-UHFFFAOYSA-N 250.350 1.724 0 50 CDAA O=c1[nH]n(CCc2ccncc2)c(=O)c2ccccc12 394546 LJBDJGSSXAENHY-UHFFFAOYSA-N 267.288 1.328 0 50 CDAA CC(C)(C)NC(=O)c1ccccc1NS(C)(=O)=O 581209 YRPCTVLPUTXALU-UHFFFAOYSA-N 270.354 1.586 0 50 CDAA CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)O 1895635 STIVWJFLTMFQAK-SSDOTTSWSA-N 295.407 1.233 0 50 CDAA OC1CCN(c2cncc3ncc(-c4cncnc4)n23)CC1 2356134536 RLNYVEFYECIWOJ-UHFFFAOYSA-N 296.334 1.147 0 50 CDAA Cc1ccc(NC(=O)N[C@@H]2C=CS(=O)(=O)C2)cc1 3158794 VDQFKUZTZNSWBM-LLVKDONJSA-N 266.322 1.427 0 50 CDAA COc1ccc(N2C[C@@H](c3nnc(N)s3)CC2=O)cc1 4943311 JNDCHLDGKPOSPN-QMMMGPOBSA-N 290.348 1.649 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccccn1 344675981 ZZNKEDYUMCMGEL-UONOGXRCSA-N 278.352 1.277 0 50 CDAA CCCCNC(=O)CCc1nc(-c2ccncc2)no1 9699718 XYHNCCQMDJKRCF-UHFFFAOYSA-N 274.324 1.981 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@]23C=C[C@@]12CC(C)(C)C3 101049555 JREVYNUBLHSBBO-KUDNYVPYSA-N 285.347 1.377 0 50 CDAA CC(C)CCN1CCN(Cc2cccnc2)C[C@H]1CCO 104358190 OZSOKTFZAHRIJX-QGZVFWFLSA-N 291.439 1.996 0 50 CDAA Cc1n[nH]c([C@@H](C)NC(=O)CCc2cccs2)n1 20351624 BRWCDHYAYQLMHY-MRVPVSSYSA-N 264.354 1.985 0 50 CDAA COc1cc(CN2CCC(C(N)=O)CC2)cc2c1OCO2 23281719 FDUJJHQQINAAJH-UHFFFAOYSA-N 292.335 1.121 0 50 CDAA Cc1cc2nc(CN3C[C@H](C(=O)O)CC3=O)[nH]c2cc1C 67740521 UUNHEAMGHLZKHZ-SNVBAGLBSA-N 287.319 1.613 0 50 CDAA Cc1ccc(NC(=O)N[C@H](C)c2nnnn2C2CC2)nc1 252490316 KPEFKXGXOHWZAA-SECBINFHSA-N 287.327 1.594 0 50 CDAA CN(C)[C@H]1CCCN(C(=O)c2ccc(N)nc2)CC1 72151561 BFHFZUGNSCTNME-LBPRGKRZSA-N 262.357 1.220 0 50 CDAA CC(C)O[C@H](C)c1n[nH]c(=O)n1-c1ccc2c(c1)OCO2 65525989 XNDPUCKSMDERHR-SECBINFHSA-N 291.307 1.775 0 50 CDAA O=C(C[C@@H]1C=CCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 229562687 YJBVQZBEMNUPMY-KFWWJZLASA-N 278.396 1.400 0 50 CDAA CC1=NN(C(=O)c2cc(C)nn2C)[C@@](O)(C(F)(F)F)C1 374442 ADJAPDPNKMKOBD-JTQLQIEISA-N 290.245 1.201 0 50 CDAA O=C(NC1(c2ccccc2)CCC1)[C@@]1(F)CCNC1 253432206 JEUMUEQRSPYCAZ-CQSZACIVSA-N 262.328 1.884 0 50 CDAA C[C@H](NCc1cc(CN2CCCC2)cs1)C(N)=O 32587021 HGGPGEZCXDPGKK-JTQLQIEISA-N 267.398 1.307 0 50 CDAA CC(=O)NCc1ccc(C(=O)N2C[C@H](C)N[C@H](C)C2)s1 153516399 CYEVXKQTECVQIP-AOOOYVTPSA-N 295.408 1.207 0 50 CDAA CN1CCN(C(=O)C[C@@H]2C=CCC2)C[C@H]1c1ncc[nH]1 328623108 IWGRSIUDHJLUET-OLZOCXBDSA-N 274.368 1.581 0 50 CDAA Cc1nc[nH]c1-c1nccn1-c1ccc2c(c1)NC(=O)CO2 77436305 JEEGCNRBPONEIY-UHFFFAOYSA-N 295.302 1.902 0 50 CDAA Cc1nnc(CN2CCCN=C(O)[C@@H]2CC(C)C)o1 328765738 GXQCAQOKXWRMRM-NSHDSACASA-N 266.345 1.955 0 50 CDAA Cn1cc(C[C@@H]2CCN(C(=O)/C=C/c3ccncn3)C2)cn1 374895224 OODLGOAQPRIWLR-IBUXWKBASA-N 297.362 1.315 0 50 CDAA O[C@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 131284396 CKLKUMLLQUXZLF-NSHDSACASA-N 251.330 1.684 0 50 CDAA CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1=O 34396131 OFHTXTVNVCVIBX-QMMMGPOBSA-N 257.286 1.333 0 50 CDAA CNCCNC(=O)c1ccc(N2CCC(C)CC2)nc1 237114973 GTAIIIKCMCXASP-UHFFFAOYSA-N 276.384 1.267 0 50 CDAA O=C(c1ccc2nc[nH]c2n1)N1CCCc2n[nH]cc21 447637271 RNJGNUJNOVJLPA-UHFFFAOYSA-N 268.280 1.274 0 50 CDAA Cc1nnc(-c2ccc(C(=O)N3CC[C@H](N)C[C@H]3C)cc2)[nH]1 237495430 MQPSXHQGDPXQKD-YGRLFVJLSA-N 299.378 1.732 0 50 CDAA O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CCCCNC1 333854804 YAVJHVWBRUYOKO-HIFRSBDPSA-N 294.443 1.445 0 50 CDAA Cc1nc(C[C@H]2CCCN(C(=O)[C@](C)(N)C3CC3)C2)no1 237774422 LOMVYZCXXIYVEE-IAQYHMDHSA-N 292.383 1.287 0 50 CDAA O=C(O)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 238177909 ZVYHNMUYPVMRBE-WPRPVWTQSA-N 269.247 1.659 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@@H]1CC12CC2)c1ccc(F)cc1 263223240 PMHZEXHHXOUKIJ-NEPJUHHUSA-N 277.295 1.910 0 50 CDAA OCCCCCCN1CCN(CC(F)(F)F)CC1 226833840 IMWOVNYSINPHTH-UHFFFAOYSA-N 268.323 1.719 0 50 CDAA COC[C@H](NC(=O)Cc1cccc(O)c1)c1ccccn1 220010423 VAUVKZKZXZLZLG-HNNXBMFYSA-N 286.331 1.834 0 50 CDAA O=C(CN1CCCC1=O)Nc1ccc(C(F)(F)F)nc1 133381103 ALHXUDDRTZJCKI-UHFFFAOYSA-N 287.241 1.661 0 50 CDAA CC[C@@H](COC)NC(=O)Nc1cccc(-n2cnnc2)c1 426684340 AUMPNFMYIRFXRM-NSHDSACASA-N 289.339 1.814 0 50 CDAA Cc1cc(C(=O)NCC[C@@H]2CCOC2)c(=O)n(C)c1C 426512078 IKCYXDILEUGITM-GFCCVEGCSA-N 278.352 1.159 0 50 CDAA Cc1ccc2c(ccn2CCC(=O)N2CCNC(=O)C2)c1 44920584 BTTGXTOZIJBQGB-UHFFFAOYSA-N 285.347 1.298 0 50 CDAA COCC[C@@H]1CCCN(C(=O)c2cc(=O)cc(C)[nH]2)C1 426475361 DSWNKSNEYGYWNW-LBPRGKRZSA-N 278.352 1.572 0 50 CDAA CC1(CNC(=O)c2cc(F)ccc2OCCCN)COC1 426633711 AQFCZMTYKDOQBK-UHFFFAOYSA-N 296.342 1.320 0 50 CDAA CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H]1COCCN1 236712005 QBFIVMOCZBWJMR-AWEZNQCLSA-N 288.391 1.862 0 50 CDAA COCC1(CN=c2nc(C(=O)O)cc(C)[nH]2)CCC1 382006209 MDJVMXZPFMVZFL-UHFFFAOYSA-N 265.313 1.134 0 50 CDAA COc1ccccc1S(=O)(=O)N1C[C@H](C(C)C)[C@@H](N)C1 91655993 JYIOGSVFBGCGPJ-NEPJUHHUSA-N 298.408 1.299 0 50 CDAA CNCc1nnc(SCCO)n1-c1cccc(Cl)c1 426545422 XQRKZQDZIAJROG-UHFFFAOYSA-N 298.799 1.725 0 50 CDAA Clc1ccc2nnc(I)n2n1 238540103 XNSXFRSSCBPJMY-UHFFFAOYSA-N 280.456 1.382 0 50 CDAA O=C(NCCc1c[nH]cn1)c1cccc([C@H]2CCCNC2)c1 95391563 NCJXBJXWCFRDNR-HNNXBMFYSA-N 298.390 1.849 0 50 CDAA CSCc1noc([C@H]2CCCN(C(C)=O)C2)n1 96140625 UTTXPWGWOXXNOF-VIFPVBQESA-N 255.343 1.659 0 50 CDAA CC(C)(O)CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 334436911 QMFWBISCZSNXQK-QWHCGFSZSA-N 281.327 1.621 0 50 CDAA CC(C)(C)OC(=O)N1CCc2ncc(CN)cc2C1 238148974 NCSAYKADTUCBGH-UHFFFAOYSA-N 263.341 1.834 0 50 CDAA Cn1cccc1-c1cc(C(=O)N2CCC[C@H]2C(=O)O)[nH]n1 95511152 YLNPCBPLULTLBY-LBPRGKRZSA-N 288.307 1.104 0 50 CDAA 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1.247 0 50 CDAA CC(C)(O)[C@@H]1CCN(C2CSCCSC2)C1 670438903 IFFIBRHQKTZMGC-SNVBAGLBSA-N 261.456 1.928 0 50 CDAA c1ccc2c(c1)OC[C@@H](CN1CCc3nocc3C1)O2 670451146 LACRJYKTXPZBHA-GFCCVEGCSA-N 272.304 1.873 0 50 CDAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CN1CCC(O)CC1)C2 685939760 ONKZTXSINBGWJQ-JDFRZJQESA-N 294.439 1.774 0 50 CDAA CCNc1nc(C)c(C(=O)N[C@H](C)Cn2cncn2)s1 759224165 MTCHNQADCZGTSV-MRVPVSSYSA-N 294.384 1.293 0 50 CDAA Cc1cc(N2CCCN(C)C(=O)C2)nc(N(C)C(C)C)n1 1875273579 LMTGAIUVSGYPOG-UHFFFAOYSA-N 291.399 1.298 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(CCC(=O)NC2)C1 1875290485 LJKJVHDSIDCLCQ-CYBMUJFWSA-N 254.330 1.524 0 50 CDAA O=C(COc1cccc2cccnc12)NO[C@H]1CCOC1 1875259436 QESIFCHXVAFSKO-LBPRGKRZSA-N 288.303 1.450 0 50 CDAA Cn1ccc([C@H]2CCCN2[C@@H]2C[C@H](C(C)(C)C)NC2=O)n1 1875405474 GVXQZJBNYCFPTB-MGPQQGTHSA-N 290.411 1.860 0 50 CDAA Cc1cnc(C(=O)Nc2ccc3nc([C@H](C)O)[nH]c3c2)cn1 952991388 YBJXOTZMBHTDHF-VIFPVBQESA-N 297.318 1.967 0 50 CDAA OC[C@@H]1CCCCN1CCCNc1nnc2ccccn12 952872574 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C[C@@H](O)CN1CCN(c2cnc3ccccc3n2)[C@H](C)C1 170086246 UJQBZTXNEFJCJO-CHWSQXEVSA-N 286.379 1.521 0 50 CDAA C[C@@H](O)CNCc1cn(-c2ccc(F)c(Cl)c2)nn1 170074387 AHRLTGJGVWLJQL-MRVPVSSYSA-N 284.722 1.530 0 50 CDAA COc1cccnc1C(=O)Nc1nnc(C2CC2)n1C 633609201 KRSKCYWWASCZNP-UHFFFAOYSA-N 273.296 1.348 0 50 CDAA C[C@H](C(=O)N1CCC[C@H](O)[C@H]1C)c1ncccc1F 408472412 ZVUGLBLKQBAQTD-UMNHJUIQSA-N 266.316 1.696 0 50 CDAA O=C(Cn1cc(F)ccc1=O)N1CCc2ccccc21 190753517 AOGUTMBYQINUCN-UHFFFAOYSA-N 272.279 1.577 0 50 CDAA CCC(=O)NS(=O)(=O)CCc1ccc(OC)cc1 193719005 HUWUTEUEAOPPSO-UHFFFAOYSA-N 271.338 1.094 0 50 CDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(F)cn1 578828624 OMAIXTJMRLZGJC-LLVKDONJSA-N 296.298 1.317 0 50 CDAA CON(C)C(=O)CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 585087406 OJRDUFZOBYSSNM-GHMZBOCLSA-N 270.373 1.585 0 50 CDAA CC[C@@H](NC(=O)Nc1cccc(C)n1)C(OC)OC 585141069 PCYRCSDYYXPZJU-SNVBAGLBSA-N 267.329 1.909 0 50 CDAA CC(=O)N1CCC(CNc2nc(C)ccc2C(=O)O)CC1 1506423806 FPHCHVOENZVNRY-UHFFFAOYSA-N 291.351 1.759 0 50 CDAA 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585132901 FPVWYRBARNSJSI-UHFFFAOYSA-N 279.384 1.121 0 50 CDAA CSCC(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 12021219 MRCYZEZZUHNVQS-CYBMUJFWSA-N 292.404 1.309 0 50 CDAA Nn1c([C@H](O)c2ccccc2)nnc1[C@H](O)c1ccccc1 5489626 OVMFKQXQRXUOKW-ZIAGYGMSSA-N 296.330 1.155 0 50 CDAA O=C(NCc1cccnc1N1CCOCC1)c1ccco1 11873492 JDNGRZULFYYKOF-UHFFFAOYSA-N 287.319 1.441 0 50 CDAA CC(C)(C)CN1CCC[C@@](O)(CN2CCCCC2)C1=O 12302526 JCRYOGPGGVULMQ-MRXNPFEDSA-N 282.428 1.872 0 50 CDAA O=C(O)CCc1nn2c(nc1O)nc1ccccc12 18122183 YMJDPKOMZVLGKO-UHFFFAOYSA-N 258.237 1.000 0 50 CDAA CSc1ccc(CN2CCN(CCO)CC2)cc1 19606609 FWSYUYNLKFVYQY-UHFFFAOYSA-N 266.410 1.518 0 50 CDAA CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1cccnc1 19798491 ZJZDWFLRWJXMLK-QXSJWSMHSA-N 289.331 1.299 0 50 CDAA biogenic Cc1cccc(C(=O)NCCCNC(=O)c2ccccn2)c1 4487322 GFHFMOYNWPOQAB-UHFFFAOYSA-N 297.358 1.940 0 50 CDAA CC(C)[C@@H]1C[C@H](CC(=O)N2CCO[C@@H]([C@@H](C)O)C2)CCO1 408471138 RUJRKTJGLBPYIC-APIJFGDWSA-N 299.411 1.436 0 50 CDAA CC(C)N1CC[C@@H](NC(=O)c2nccc3ccccc23)C1=O 114697512 LLJTZINAUWDFJI-CQSZACIVSA-N 297.358 1.974 0 50 CDAA N[C@H]1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 237851314 BDRUMZAKXWFQPI-DZGCQCFKSA-N 290.363 1.418 0 50 CDAA CCCC[C@H]1CCC[C@H]1NC(=O)c1cn(C)nn1 253426431 HGLUTABVPWCEHO-WDEREUQCSA-N 250.346 1.904 0 50 CDAA Cc1cc(C)nc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1 1565530159 DOZOHDQLTQEMMC-MNOVXSKESA-N 277.324 1.211 0 50 CDAA CC(C)C[C@@H](CNC(=O)C(=O)c1ccc(F)cc1)C(=O)O 826768380 HYDDFHKBFONEEX-NSHDSACASA-N 295.310 1.872 0 50 CDAA CN1CC[C@@H]2CN(CCc3ccc(C(N)=O)cc3)C[C@@H]2C1 931441124 CMNYPWJFVBQNMH-CVEARBPZSA-N 287.407 1.212 0 50 CDAA Cc1nc(NC(=O)NCc2cc(C(F)F)on2)nn1C 931528189 ZNDYOKWOIUWCMF-UHFFFAOYSA-N 286.242 1.371 0 50 CDAA O=C(NCC[C@@H]1CCNC1)c1[nH]nc2ccccc12 110796006 KSUNMYGHWDJWEX-JTQLQIEISA-N 258.325 1.292 0 50 CDAA CC(C)[C@H](CC(=O)O)NC(=O)c1ccc(F)c(O)c1 223694961 SJSRGWDIVYBGHL-JTQLQIEISA-N 269.272 1.760 0 50 CDAA CCC(CC)(CN)C(=O)N1CC[C@@]2(CCOC2)C1 225480137 GZZXQOLJLCEJKR-CYBMUJFWSA-N 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OC1(c2cn(Cc3ccc4c[nH]nc4c3)nn2)CCOCC1 881373492 PKVGQNZVUXFAIP-UHFFFAOYSA-N 299.334 1.201 0 50 CDAA CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ncccc2O)C1 132367807 IUXUSSDJEBKQQU-VXGBXAGGSA-N 275.352 1.344 0 50 CDAA OC[C@H]1CCCCN1CCNCc1cnccc1Cl 952860196 HNQBQTLAUKRGNF-CYBMUJFWSA-N 283.803 1.671 0 50 CDAA CCCc1noc(CN(C)C(=O)c2cc[nH]c2C)n1 952978238 PYBBUVXGICAOAV-UHFFFAOYSA-N 262.313 1.931 0 50 CDAA O=C(NCc1cncc(O)c1)[C@H]1OCCc2ccccc21 886278092 NTDHVHDBDSDCBB-HNNXBMFYSA-N 284.315 1.717 0 50 CDAA CCN1CCN(C(=O)/C=C/c2ccc(C(=O)O)cc2)CC1 888096999 URISZMRIRLQGQW-VMPITWQZSA-N 288.347 1.562 0 50 CDAA CCOC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 16285765 FZSFKWTZEJMNHL-UHFFFAOYSA-N 257.311 1.259 0 50 CDAA N[C@@H]1CN(C(=O)Cc2ccc3c(c2)NCC3)CC12CCC2 1775962475 MVFHOJSCPWJGJZ-OAHLLOKOSA-N 285.391 1.537 0 50 CDAA C=CC(=O)N1CCN(C)C(=O)[C@@H]1Cc1ccccc1 1776005078 AGAOQRURZQLVCG-ZDUSSCGKSA-N 258.321 1.084 0 50 CDAA O=C(NC1(c2ncccn2)CCC1)c1ccc(O)cn1 1419073736 XACOQEZJOZVTNL-UHFFFAOYSA-N 270.292 1.386 0 50 CDAA Cn1cccc(C(=O)Nc2nc3c(o2)CCCC3)c1=O 1364444961 MSFKWXIWKSAGGB-UHFFFAOYSA-N 273.292 1.504 0 50 CDAA C[C@@](O)(CNC(=O)N=c1cc[nH]cc1)c1cccc(F)c1 1365497380 PRCAILAQZUNXJP-OAHLLOKOSA-N 289.310 1.672 0 50 CDAA CCc1cccnc1NC(=O)[C@H](CC)N1CCCC1=O 271957896 BZIACHRCCSMZAQ-LBPRGKRZSA-N 275.352 1.984 0 50 CDAA COC(=O)c1ncn(CC(=O)c2ccsc2)n1 1472983913 BPDHJLPGSQAGOI-UHFFFAOYSA-N 251.267 1.009 0 50 CDAA C[C@@H](OCC1CC1)C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 583621466 OWDAWZWMZDFTLY-YPMHNXCESA-N 292.383 1.040 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1cc(C(N)=O)n(C)c1 277032150 CVAIILGGUQHSKK-CMPLNLGQSA-N 279.340 1.268 0 50 CDAA COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(OCC(C)C)CC1 170762385 WLYFOWKBPGTXMS-OLZOCXBDSA-N 283.368 1.459 0 50 CDAA CN(c1nc(CN2CCOC[C@@H]2C(=O)O)cs1)C1CC1 516932091 AQXYFIXMEWSMOD-LLVKDONJSA-N 297.380 1.027 0 50 CDAA Cc1c[nH]cc1C(=O)NC[C@@H]1CC(C(F)(F)F)=NO1 585087913 AYQAEEBCVYYFSF-ZETCQYMHSA-N 275.230 1.760 0 50 CDAA Cc1cc(CNC(=O)CN(C)CCc2ccccc2)no1 585121551 RYLWDKUTVMYWIB-UHFFFAOYSA-N 287.363 1.774 0 50 CDAA O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@H](O)[C@H]2CCCC[C@H]21 636329138 IZCOVAARBRSEMY-PRSHDEELSA-N 289.379 1.665 0 50 CDAA Cc1nnc([C@@H](C)N2CCS(=O)(=O)C(C)(C)C2)s1 407982795 JRZBKPVBYKEKSE-MRVPVSSYSA-N 289.426 1.417 0 50 CDAA CCc1ccccc1C(=O)N1CCC[C@]1(COC)C(=O)O 643854056 RBRRXEXZAJFQOY-INIZCTEOSA-N 291.347 1.955 0 50 CDAA Cc1cc(C(=O)Nc2ccc(OC(C)C)nn2)on1 191314760 RLIZIMUKLBNRNP-UHFFFAOYSA-N 262.269 1.813 0 50 CDAA Cc1noc(C)c1CCNC(=O)[C@@H]1CCCO[C@H]1C 191448431 JGGNXUUTLXTFKW-GXFFZTMASA-N 266.341 1.765 0 50 CDAA CNC(=O)C1CN(c2ncnc3c(C)csc23)C1 192775135 NLOPBNZOZLJLKC-UHFFFAOYSA-N 262.338 1.182 0 50 CDAA C[C@H]1COCCN1CCN(C)[C@]1(CO)CC[C@@H](C)C1 192811678 JMPQTLDCXLWPIH-QLFBSQMISA-N 270.417 1.190 0 50 CDAA CC(C)c1cc(NC(=O)[C@@H]2CCCCC(=O)N2)[nH]n1 192990481 PGJOKRFJOQRHMY-VIFPVBQESA-N 264.329 1.530 0 50 CDAA CC(=O)Nc1cccc(CN2CCOC[C@]23CCOC3)c1 193730499 WFURRHITPURJID-MRXNPFEDSA-N 290.363 1.636 0 50 CDAA Cc1cc(C(F)(F)F)nc(N2CC(=O)N[C@@H](C)C2)n1 572711420 WOUQRUGJARPJGW-ZETCQYMHSA-N 274.246 1.129 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@]1(C(=O)O)CC1(C)C 663101516 SHYQDPORZOIQCJ-HSMVNMDESA-N 294.395 1.573 0 50 CDAA CSC[C@@H](C)C(=O)Nc1cc(CCO)ccn1 580783530 JDUGAGQZRTXZOT-SECBINFHSA-N 254.355 1.554 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)c1[nH]nnc1C 1506419631 UATROBUWBPWZPA-SNVBAGLBSA-N 252.318 1.144 0 50 CDAA C[C@@H](NC(=O)[C@H]1CCOC1)c1ncc(C(=O)O)s1 621608861 APSPTYXSWWVEJW-RQJHMYQMSA-N 270.310 1.055 0 50 CDAA Cc1cnn(C)c1CN[C@@H](c1cnn(C)c1)C(F)(F)F 643898348 YFQKADXYTGWCLK-NSHDSACASA-N 287.289 1.855 0 50 CDAA COC[C@@H]1CCCCN1C(=O)Nc1ccnnc1 333906929 VKWUBRDFKWRFLJ-NSHDSACASA-N 250.302 1.509 0 50 CDAA CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)O)CC2)C1 238172485 YDICPQHLHLOGES-UHFFFAOYSA-N 284.356 1.402 0 50 CDAA CCN(C)c1cc(NC[C@@H](CO)Cc2ccco2)ncn1 1704345310 XIJLCSRLYSDMQZ-LBPRGKRZSA-N 290.367 1.789 0 50 CDAA COc1ccc(C(=O)NCCCN2CCOCC2)cc1 19334192 ITLPYCCJJISFNR-UHFFFAOYSA-N 278.352 1.147 0 50 CDAA CCCN(CC(=O)O)S(=O)(=O)c1sccc1Cl 263250844 VFIRZVHKVPWHLP-UHFFFAOYSA-N 297.785 1.887 0 50 CDAA [O-][n+]1ccnc(NCc2ccccc2N2CCOCC2)c1 1615551115 ODRSRCCCFVRSSF-UHFFFAOYSA-N 286.335 1.164 0 50 CDAA COC(=O)[C@@H]1CCN1Cc1ccc(-n2cncn2)c(F)c1 1615605502 YKBPTLYPALPONQ-ZDUSSCGKSA-N 290.298 1.154 0 50 CDAA Cc1cc(C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2O)on1 1615965534 OGDJDJQFHMOPAL-JQWIXIFHSA-N 276.292 1.252 0 50 CDAA CC(C)c1nc(CN2CCC([C@@H](O)CO)CC2)co1 1772711872 KWXKMGNEOXYVMP-ZDUSSCGKSA-N 268.357 1.363 0 50 CDAA CN(C)C[C@@]12CNC[C@@H]1CN(c1ncc(Cl)cc1F)C2 1772712027 ZNICZYJSQIIOBV-QMTHXVAHSA-N 298.793 1.462 0 50 CDAA O=S1(=O)C=C[C@H]2ON=C(c3ccc(F)cc3)[C@@H]21 5063177 OCXFKTLACAMIJS-MWLCHTKSSA-N 253.254 1.239 0 50 CDAA OCC1(CO)[C@H]2CN(c3ccc4ccccc4n3)C[C@H]21 1772807214 RMMZWTBGOKQCLP-BETUJISGSA-N 270.332 1.272 0 50 CDAA Cc1cccc(NC(=O)C[C@@H]2SC(=N)NC2=O)c1C 5648229 JLAXVYRRIJWZQZ-JTQLQIEISA-N 277.349 1.798 0 50 CDAA NC(=O)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 16625395 HFAJGGMAVYJQAN-UHFFFAOYSA-N 268.263 1.302 0 50 CDAA C[C@H](C(=O)NCc1cc(C(C)(C)C)[nH]n1)N1CCCC1=O 19595292 UKQFBBBWYXMQQF-SNVBAGLBSA-N 292.383 1.334 0 50 CDAA C[C@H](c1cccc(-c2nc(C(N)=O)n(C)n2)c1)N1CCCC1 1857710172 KIPDKKHJFMQOHT-LLVKDONJSA-N 299.378 1.738 0 50 CDAA CN(C)S(=O)(=O)c1ccc(Br)cc1 1508384 NQAUNPZZVCXYEJ-UHFFFAOYSA-N 264.144 1.699 0 50 CDAA in-vitro CN(C(=O)c1ccnn1C)c1nc2ccccc2n1C 120384643 TYHIWLWMTITLAD-UHFFFAOYSA-N 269.308 1.583 0 50 CDAA CCN1CCN(C(=O)c2occc2C)C[C@H]1c1ncc[nH]1 328640914 XPAMBCOMMBWEDB-LBPRGKRZSA-N 288.351 1.830 0 50 CDAA Cc1nn(C)c(C)c1CC(=O)NC[C@]1(C)CCCO1 123465305 GXDZWNMYFZJHAE-AWEZNQCLSA-N 265.357 1.265 0 50 CDAA CCCN(CC(=O)O)C(=O)c1ccc(-n2cnnc2)cc1 236947692 PMKRLUYIOYRMJH-UHFFFAOYSA-N 288.307 1.204 0 50 CDAA CN(C[C@H]1CCOC1)C(=O)CCc1ccc(C(=O)O)cc1 237240094 GVUXFNHPFGQFQX-CYBMUJFWSA-N 291.347 1.812 0 50 CDAA CCN1CC[C@H](Sc2nc3cncnc3[nH]2)C1=O 657256635 IQCNNQDRNLUQML-QMMMGPOBSA-N 263.326 1.066 0 50 CDAA CCCc1cnc(C)nc1N1C[C@H]2CCN(C)[C@H]2C1 248135174 OIPJLCXGSAAHOB-KGLIPLIRSA-N 260.385 1.878 0 50 CDAA COC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C1CC1 151922426 HAMCRMCYJCKEQE-GFCCVEGCSA-N 277.320 1.613 0 50 CDAA Cc1nc(C(C)(C)NC(=O)c2cc(C(=O)O)ccn2)no1 263423923 QKCRLDDOLAJRGW-UHFFFAOYSA-N 290.279 1.136 0 50 CDAA CC(C)Cc1ccc(CN[C@@H]2COCC[C@H]2O)cn1 902634215 CDWGAGMNUUGLNY-HUUCEWRRSA-N 264.369 1.520 0 50 CDAA Cc1cccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704335731 QZIDZDIIMATQKM-IAGOWNOFSA-N 289.423 1.669 0 50 CDAA Cc1ncoc1CNS(=O)(=O)CCc1cccc(F)c1 907597509 SGZGXYILSCYRKN-UHFFFAOYSA-N 298.339 1.784 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCC[C@@H](C3(O)CC3)C2)c1 1772812158 COBFLZHLVQAALG-CYBMUJFWSA-N 295.404 1.921 0 50 CDAA O=C(NC[C@H]1CCCS1)c1ccn([C@H]2CCCNC2)n1 261617999 HGHCTBYITVDNRZ-NWDGAFQWSA-N 294.424 1.433 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)N2CCO[C@H](c3nccs3)C2)C1 269235341 GGQFUTAIAOWQKH-TUAOUCFPSA-N 295.408 1.561 0 50 CDAA O=C(CN1CCC2(CCCC2)C1)N1CCOCC1 174271202 ZSMLXMWQNBIRHT-UHFFFAOYSA-N 252.358 1.111 0 50 CDAA CN1CCC[C@H](CCNC(=O)CC2=CCNCC2)C1 67758924 XCSBUFVTWQSZMT-CQSZACIVSA-N 265.401 1.144 0 50 CDAA O=C(O)CC1(NC(=O)C[C@H]2CCOC2)CCCCC1 401179901 AJQXDPJHPUESBJ-LLVKDONJSA-N 269.341 1.707 0 50 CDAA CCCn1cc(NC(=O)[C@H]2CCCN[C@@H]2C)cn1 722362863 BVPAGDDUXKJDTE-PWSUYJOCSA-N 250.346 1.620 0 50 CDAA Cc1n[nH]cc1CCCNC(=O)[C@H]1CCCN[C@H]1C 384239295 IODIJLYYWVUYRL-AAEUAGOBSA-N 264.373 1.155 0 50 CDAA CNC(=O)c1ccc(N2N=C(C(F)(F)F)CC2=O)cc1 2325767036 DJIHWLWIPSBYFE-UHFFFAOYSA-N 285.225 1.701 0 50 CDAA CC(C)C[C@@H](F)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 2325774739 ORJOCDLIEYYZFW-QJPTWQEYSA-N 271.332 1.940 0 50 CDAA O=S(=O)(Cc1ccccc1)NCc1ccccn1 29832 DLAZWXOMRGULQW-UHFFFAOYSA-N 262.334 1.701 0 50 CDAA CNC(=O)c1ccccc1I 173184 XVZYFJIGUQHFSR-UHFFFAOYSA-N 261.062 1.651 0 50 CDAA in-vitro COc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1 285656 AOYYXSSHGSXBAZ-UHFFFAOYSA-N 285.350 1.656 0 50 CDAA Cc1cccc(NC(=O)C(=O)NC[C@@H](C)CN(C)C)c1 2252453 WCRAYGZWBUYZLW-GFCCVEGCSA-N 277.368 1.247 0 50 CDAA O=C(CSc1ccccn1)NCc1cccc2ncnn12 2356136888 AHWUFCIFKAKWLM-UHFFFAOYSA-N 299.359 1.533 0 50 CDAA CCOC(=O)CNC(=O)N[C@@H](C)c1ccccc1 2495342 VHASUHYRESQZST-JTQLQIEISA-N 250.298 1.610 0 50 CDAA CCOc1ccc(NC(=O)CSCCO)cc1 2828566 IXOIMHXBSHDULK-UHFFFAOYSA-N 255.339 1.749 0 50 CDAA CCC(=O)Nc1ccc(C(=O)NCCOC)cc1 4740582 WZGUWFKELVJZBV-UHFFFAOYSA-N 250.298 1.411 0 50 CDAA NC(=O)C(=O)Nc1c(F)cc(F)cc1Br 4840123 LVVQOOWBARKXJP-UHFFFAOYSA-N 279.040 1.151 0 50 CDAA C[C@]12CC=CC[C@H]1C(=O)N(NC(=O)c1ccncc1)C2=O 4990915 MQYZDMZAKBNCHC-NHYWBVRUSA-N 285.303 1.068 0 50 CDAA CS(=O)(=O)N(CC(=O)O)c1ccc(Cl)cc1 4992592 SIKVXDUHKCTFMJ-UHFFFAOYSA-N 263.702 1.191 0 50 CDAA CCOc1ccccc1[C@@H]1CC(=O)Nc2nc(C)[nH]c(=O)c21 8994496 HOOXXDYIKQASDX-NSHDSACASA-N 299.330 1.951 0 50 CDAA CCOC(=O)c1c[nH]c2nc(Cc3ccccc3)nn2c1=O 100998987 QQOGHQGTUCCYJK-UHFFFAOYSA-N 298.302 1.185 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 247995088 PEPJCGIFUIZJTM-VWYCJHECSA-N 259.371 1.116 0 50 CDAA C[C@@H](c1n[nH]c(=O)n1CC1CCCCC1)n1cccn1 65456795 NWQMPGDPUTZZFA-NSHDSACASA-N 275.356 1.958 0 50 CDAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(C(C)C)no1 67458442 MQHWXMGYJWLBFP-RISCZKNCSA-N 294.399 1.224 0 50 CDAA O=C(NCCn1cccc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 252477252 KWUWPGZHKATISF-BFHYXJOUSA-N 289.379 1.745 0 50 CDAA Cc1cc(C(=O)N(C)C)ccc1N(C)S(C)(=O)=O 65362473 FNCLCOMJLWHSEQ-UHFFFAOYSA-N 270.354 1.093 0 50 CDAA CCc1nc(CN2CCC[C@H](c3ccn[nH]3)C2)no1 65431671 UOZJXXOLXNOIEE-JTQLQIEISA-N 261.329 1.735 0 50 CDAA CCC(CC)NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 65362790 OOMPLIMXIRUWSR-LLVKDONJSA-N 290.429 1.353 0 50 CDAA CC(C)c1nnc([C@H]2COCCN2C(=O)c2ccoc2)o1 328611519 LXRJGVDCANAGOX-LLVKDONJSA-N 291.307 2.000 0 50 CDAA COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC 562 KEEYRKYKLYARHO-UHFFFAOYSA-N 274.324 1.557 0 50 CDAA biogenic,investigational CN1CCN([C@H]2CCCCN(C(=O)C(C)(C)C)C2)CC1 173277673 YXFGWJBACZGQKY-AWEZNQCLSA-N 281.444 1.661 0 50 CDAA O=C1CC[C@H](C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)N1 332799906 REMJOPWUWSLWKZ-GUTXKFCHSA-N 288.347 1.159 0 50 CDAA Cc1c[nH]c(C(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)n1 217343627 VORIIAHWSVFJNJ-VIFPVBQESA-N 298.306 1.654 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](N2CC[C@@H](CCO)C2)C1 259868118 MYACVXPGFGZZNB-STQMWFEESA-N 284.400 1.700 0 50 CDAA CCN(CCO)C(=O)C(=O)c1c[nH]c2ccccc12 71772694 VHRMJDBHCJNPCF-UHFFFAOYSA-N 260.293 1.191 0 50 CDAA Cc1nn(C)c2ncnc(N3CCC[C@](C)(O)C3)c12 72479104 FLKXCZSDNVAQCS-ZDUSSCGKSA-N 261.329 1.023 0 50 CDAA C[C@H]1CCCN(Cc2nnnn2C(C)(C)C)[C@@H]1CCO 521398723 CKYVFWBXAWIZNC-NWDGAFQWSA-N 281.404 1.411 0 50 CDAA O=C1CC[C@@H](CNc2ccc(-c3ccccc3)nn2)N1 32578286 KJZZZVJIQCHWGV-LBPRGKRZSA-N 268.320 1.834 0 50 CDAA Cc1cc(C(=O)NC2(C(=O)O)CCOCC2)c(C)o1 127418110 ZUKRDUIJSPYKMY-UHFFFAOYSA-N 267.281 1.260 0 50 CDAA CCCc1cc(NCCCn2ccnn2)n2nccc2n1 72447784 PUNHOMAXMZYNJU-UHFFFAOYSA-N 285.355 1.776 0 50 CDAA CN(Cc1noc(C2CCC2)n1)C(=O)[C@H]1CCC[C@@H](O)C1 219566361 YUNRQDOZDYZWFG-NWDGAFQWSA-N 293.367 1.847 0 50 CDAA COc1nc(C)cc(N2CCC[C@H]([C@H]3CCNC3)C2)n1 333635300 BJBQUAPRDVQRGQ-STQMWFEESA-N 276.384 1.620 0 50 CDAA Cc1nnc(CN2CCC[C@@]3(C2)CN(C)C(=O)O3)s1 72170417 MAKMBIZRWBKQFQ-LBPRGKRZSA-N 282.369 1.263 0 50 CDAA CN1CC[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2)C1 74864979 GXGBGFMMUFDQBI-LBPRGKRZSA-N 288.800 1.464 0 50 CDAA Cc1nc(C)c(C(=O)NCC[C@H]2CCCN2C)o1 215426650 IAVPSGRUCJEEOD-LLVKDONJSA-N 251.330 1.506 0 50 CDAA O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCc2[nH]ncc21 246093160 KQONEQYQVIMRRJ-IJLUTSLNSA-N 277.368 1.497 0 50 CDAA O[C@]1(c2c[nH]nn2)CCN(c2ncc(Cl)cc2F)C1 284663536 WAQVMVYBSKUYJW-LLVKDONJSA-N 283.694 1.090 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1CCOc1cccc(OC)c1 284712682 RSHUCUQMOMFXPU-BBRMVZONSA-N 295.379 1.810 0 50 CDAA Cc1ccc2[nH]cc(C(=O)NCC3CC3)c(=O)c2c1 340763689 OLULBYXAAPVONG-UHFFFAOYSA-N 256.305 1.976 0 50 CDAA CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@H](C(=O)O)C2)s1 178265875 MARPQUKVXUAWBX-BDAKNGLRSA-N 298.364 1.706 0 50 CDAA C[C@H](Cn1cccn1)C(=O)NCCCc1ccncc1 221243115 APXWVMVXLULXNZ-CYBMUJFWSA-N 272.352 1.663 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CCNC[C@H]1C 426701590 KBLFAMZTFJETQF-MRVPVSSYSA-N 274.290 1.598 0 50 CDAA CCN(CCn1cccn1)C(=O)C[C@H](C)n1ccnc1 223105359 LQNNZOCDALMYEO-ZDUSSCGKSA-N 275.356 1.579 0 50 CDAA CC[C@H](NC(=O)CCc1ccnn1C)c1ncnn1CC 426435050 WMWDKLAWAFJNKD-LBPRGKRZSA-N 290.371 1.232 0 50 CDAA Cn1nccc1CCN[C@@H]1CCOC2(CCOCC2)C1 82161862 LZBVSZYPVKQYNU-CYBMUJFWSA-N 279.384 1.280 0 50 CDAA Cc1nccn1C[C@H]1CCCN(C(=O)CCC(=O)O)C1 426693641 DELJKCPUYJWWBQ-GFCCVEGCSA-N 279.340 1.295 0 50 CDAA Cc1n[nH]c(C)c1CN1CCC2(CCNC[C@@H]2CO)CC1 97745222 BFXOEGPCYXSQGC-CQSZACIVSA-N 292.427 1.211 0 50 CDAA Nc1ccc2c(n1)NC(=O)C[C@H]2c1ccc2c(c1)OCCO2 91351187 BSVKVSNRJFQJDP-NSHDSACASA-N 297.314 1.909 0 50 CDAA Cc1nc[nH]c1CNC(=O)[C@H](C)N1CCCCC1 426424207 GJWOETOZVPYHCX-NSHDSACASA-N 250.346 1.209 0 50 CDAA CCOC(=O)CNC(=O)C1CCN([C@@H]2C=CCCC2)CC1 179105791 VZBNIBMVGLSZSH-CQSZACIVSA-N 294.395 1.486 0 50 CDAA CCCc1n[nH]cc1C(=O)N1CC[C@](C)(O)C(C)(C)C1 91745833 AHFHKVQZWIBXJR-HNNXBMFYSA-N 279.384 1.985 0 50 CDAA CNc1ncccc1CN1CCC[C@]2(CCNC2)C1 426622946 MOKQUWPAWWWQOB-OAHLLOKOSA-N 260.385 1.699 0 50 CDAA COCCN1C[C@H](C(C)C)[C@@H](NC(=O)CC(F)(F)F)C1 91645699 OSVJTXNHKPTYCQ-MNOVXSKESA-N 296.333 1.658 0 50 CDAA CCC[C@H]1CN(C(=O)c2cccc(COC)n2)C[C@@H]1N 91664917 GCONTDAZXKVODB-AAEUAGOBSA-N 277.368 1.427 0 50 CDAA O=C(O)c1ccc([C@@H]2CCCN(CCOCCO)C2)cc1 95391782 KVOUPBYVBVWKBU-OAHLLOKOSA-N 293.363 1.573 0 50 CDAA COc1ccccc1OCC(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91486904 HRJDNHAIFXNJAN-OLZOCXBDSA-N 290.363 1.270 0 50 CDAA Cc1cccc([C@H](C(=O)NC(C)(C)C(=O)O)N(C)C)c1 95517133 ZSQQHRJXKYDHPE-GFCCVEGCSA-N 278.352 1.577 0 50 CDAA CCc1ccccc1OC1CN(C(=O)c2cccnn2)C1 91594914 DTEPMGUCIKPQNG-UHFFFAOYSA-N 283.331 1.942 0 50 CDAA CCCCn1ncnc1[C@@H]1CC(=O)N(Cc2ccccn2)C1 91988104 HOSDLXOWFPKGAD-CYBMUJFWSA-N 299.378 1.989 0 50 CDAA CCCn1ncc(C(=O)NCCc2nnc(C)s2)c1C 91780379 DQPIDYFURVWESE-UHFFFAOYSA-N 293.396 1.734 0 50 CDAA CN1CCC[C@@H](Cn2ncc(N3CCCCC3)cc2=O)C1 95366335 LBYSVVVPLIVWIB-CQSZACIVSA-N 290.411 1.575 0 50 CDAA CCCS(=O)(=O)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244594164 DHNDBGLCVKPEHR-HZSPNIEDSA-N 283.393 1.828 0 50 CDAA N[C@H]1CC[C@@H](CN2CCCN(C(=O)C3CCC3)CC2)CC1 243956907 CEEVURJFAASDIG-FZNQNYSPSA-N 293.455 1.838 0 50 CDAA Cc1nc(NCCCn2cncn2)cc([C@H]2C[C@@H](N)C2)n1 244899574 ZMEBNMOBADWIAA-TXEJJXNPSA-N 287.371 1.083 0 50 CDAA CCc1cc(C(=O)N[C@H](C)c2cn(C)nc2C)cc(=O)[nH]1 181612436 YQNRPVVVOYGQAF-SECBINFHSA-N 288.351 1.470 0 50 CDAA CC1(C)[C@H](NC(=O)c2ccc(C(=O)O)cc2)[C@H]2CCO[C@H]21 268959652 XITQHFGKTUHWBT-JHJVBQTASA-N 289.331 1.928 0 50 CDAA O=C(NCc1cccnc1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 245997704 JKHOUJGDTZLPNY-WUHRBBMRSA-N 257.337 1.925 0 50 CDAA O=C(O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccc(Cl)cc1 247438504 WPDMRWXINIYZKY-LSJOCFKGSA-N 265.696 1.885 0 50 CDAA Cc1cc(F)ccc1CCNC(=O)N[C@H]1C[C@@H](O)C1 297878957 ITFVHPJBRYRFFK-BETUJISGSA-N 266.316 1.499 0 50 CDAA Cn1cnc(C(=O)N2CCSC[C@@H]2c2nccs2)c1 184154909 RPROSOVBEMIHPX-SNVBAGLBSA-N 294.405 1.807 0 50 CDAA CS(=O)(=O)Nc1ccc([C@@H]2CCCNC2)cc1 258618178 LPOWYZXFMZFXKT-LLVKDONJSA-N 254.355 1.525 0 50 CDAA CC(=O)NCC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 299741233 DZLZSQYEYCPVHE-WFASDCNBSA-N 294.326 1.156 0 50 CDAA CCc1c(C(=O)N2CC[C@@H](CN)C2)cnn1C(C)(C)C 269176700 YOPWOKGOCYSRCH-NSHDSACASA-N 278.400 1.621 0 50 CDAA O=C(O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 263616774 KLBJVHCQRGDSSW-SNVBAGLBSA-N 263.228 1.387 0 50 CDAA CCn1cc(S(=O)(=O)NCc2cc(C(C)C)on2)cn1 534636217 MJCZHLCCVOLWDQ-UHFFFAOYSA-N 298.368 1.493 0 50 CDAA Cc1cccnc1[C@H](C)NC(=O)c1cn(C)c(C)cc1=O 534578314 GSDDBJHTZGBHHY-LBPRGKRZSA-N 285.347 1.888 0 50 CDAA COc1cccc(SCC(=O)N2CCCN(C)CC2)c1 365062855 OCOSDAUPMKJMKQ-UHFFFAOYSA-N 294.420 1.951 0 50 CDAA CC(C)C[C@H](C(=O)O)N1CCC[C@H](c2cc[nH]c(=N)n2)C1 629488748 WHQOGSVSGUPGHB-WCQYABFASA-N 292.383 1.568 0 50 CDAA Cc1ccsc1C(=O)N1C[C@H]2[C@H](N)CC[C@H]2C1 185205325 BRUODXIXBZCYDY-HBNTYKKESA-N 250.367 1.866 0 50 CDAA CN[C@@H](C)C(=O)N1CCC(c2ncncc2C)CC1 299769750 PQKVKQVSSYIGMD-NSHDSACASA-N 262.357 1.099 0 50 CDAA CCNC(=O)[C@H](C)N(C)CCc1c(C)n[nH]c1C 299782995 UMNPSNRZSJGPHD-NSHDSACASA-N 252.362 1.025 0 50 CDAA CC1(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)CCOCC1 828896622 BAVBMKFIRXHSOR-GJZGRUSLSA-N 282.428 1.334 0 50 CDAA CCc1noc(CCNC(=O)c2cnc(C3CC3)nc2)n1 584892406 ZWAMWZAPHXIAFR-UHFFFAOYSA-N 287.323 1.272 0 50 CDAA COCc1nc([C@@H]2CCCO2)n(CC(C)(C)O)n1 824490517 CLSHFDSWXZEPKB-VIFPVBQESA-N 255.318 1.047 0 50 CDAA CCn1cc(Cn2cnc3cccnc3c2=O)cn1 584893121 GQESDRLFTMACLC-UHFFFAOYSA-N 255.281 1.056 0 50 CDAA CC(C)=CCN1CCC(CNC(=O)[C@H]2CCC(=O)N2)CC1 1001255539 YLQIUYGNFKRZIG-CQSZACIVSA-N 293.411 1.059 0 50 CDAA Cc1cccc2nc(CN(C)Cc3c[nH]nc3C(=O)O)[nH]c12 670471213 UGPWOGKJKISDLC-UHFFFAOYSA-N 299.334 1.925 0 50 CDAA CNC(=O)C[C@@H]1CCN(c2nnc(C(C)C)s2)C1 670447773 YCXLUQQJMJBVJD-VIFPVBQESA-N 268.386 1.624 0 50 CDAA Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c(=O)n1C 685945228 SQPPCCGEOFUZCR-GJZGRUSLSA-N 282.343 1.980 0 50 CDAA O=C(C=C1CCCCC1)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942730 UREDEZMPVXMIJI-UONOGXRCSA-N 291.351 1.563 0 50 CDAA NCC[C@@H]1CN(C(=O)c2ccc(N)nc2)c2ccccc21 1548578137 IROGLHIFNOWNKW-GFCCVEGCSA-N 282.347 1.757 0 50 CDAA C=CC(=O)NCC(=O)N1Cc2ccccc2C2(CCC2)C1 1875371612 GYQMBTIDJMASLN-UHFFFAOYSA-N 284.359 1.753 0 50 CDAA C[S@](=O)CC[C@@H](N)C(=O)Nc1ccsc1Cl 1875312091 HNCBPSXPHIWBBM-KXHHVGMCSA-N 280.802 1.436 0 50 CDAA C[C@@H]1C[C@@H](Nc2ncc3c(n2)SCC(=O)N3)CC[C@H]1O 1875320404 CAPNHJSFYUXONZ-KHQFGBGNSA-N 294.380 1.482 0 50 CDAA Cc1cc(-c2cnn([C@H]3CCCCO3)c2)nc(=N)[nH]1 1875317516 ANPDGZZDZHJSHX-GFCCVEGCSA-N 259.313 1.760 0 50 CDAA CC(C)(C)[C@@H]1CCN(c2cccc(S(N)(=O)=O)n2)C1 1875269407 SLWVVCQZWWTMAE-SNVBAGLBSA-N 283.397 1.601 0 50 CDAA O=C(O)c1ccc(F)c(CNS(=O)(=O)c2ccoc2)c1 1875255167 JQXGZHAWROUATG-UHFFFAOYSA-N 299.279 1.595 0 50 CDAA C[C@H](OC(=O)[C@@H]1CCCc2c[nH]nc21)C(=O)NC1CC1 1875253760 GKDDRDOTGYVROP-GZMMTYOYSA-N 277.324 1.040 0 50 CDAA CC(C)=CCN1CCC(CNC(=O)[C@@H]2CCOC2)CC1 952961859 DFUDSZFWQNKOJR-OAHLLOKOSA-N 280.412 1.817 0 50 CDAA CCn1cncc1CNC(=O)/C=C/c1cc(CO)cs1 952972508 VAFFIYIYQKCUCK-ONEGZZNKSA-N 291.376 1.786 0 50 CDAA Cc1oncc1CNC(=O)c1nn(C)c2c1CCCC2 1363634652 YLXSAMGUEVPGOV-UHFFFAOYSA-N 274.324 1.525 0 50 CDAA CCOC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)cn1 38537420 JPZDAOZAKPSNLV-UHFFFAOYSA-N 294.332 1.605 0 50 CDAA in-vitro Cc1ccc(CN2CC[C@H](C(=O)O)[C@H](O)C2)s1 1529099243 VCIIPTMTIXKVQT-WDEREUQCSA-N 255.339 1.324 0 50 CDAA CC(C)c1cccc(N2CC[C@H](CO)[C@@H](O)C2)n1 1529109597 GHRSLAZMJFADBQ-YPMHNXCESA-N 250.342 1.385 0 50 CDAA Cc1ocnc1C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 275295060 BDQOJMDCMMAJMH-WCQYABFASA-N 290.323 1.367 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)Nc1cccnc1 275531477 NBKAVYLBVPMTCP-NSHDSACASA-N 271.324 1.662 0 50 CDAA COc1cc[nH]c(=O)c1C(=O)NCC1(c2ccccc2)CC1 170610216 LFHXKABOFRVNIL-UHFFFAOYSA-N 298.342 1.845 0 50 CDAA CC(C)(C)OC(=O)NC1(C(=O)O)CC(F)(F)C1 95629913 KEYBLBUGXCHLBX-UHFFFAOYSA-N 251.229 1.764 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](O)CO2)C1 95742949 LILGESIHSOUCBM-MFKMUULPSA-N 257.330 1.537 0 50 CDAA in-vitro CC(C)c1cc(C(=O)N2CCCNC(=O)[C@@H]2C)no1 188898167 SZRVIZKGDMIUMA-VIFPVBQESA-N 265.313 1.149 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ncc(C)o2)n1 408046150 KDWHXLKZCFGNSA-SKDRFNHKSA-N 278.312 1.636 0 50 CDAA Cn1nnc2cc(CN[C@H]3CCc4nc[nH]c4C3)ccc21 554982400 LJPOSDDZHYYCKE-NSHDSACASA-N 282.351 1.339 0 50 CDAA O=C(Nc1c[nH]nc1-c1ccccn1)c1cocn1 678087441 QNSMHZLFLGUNJL-UHFFFAOYSA-N 255.237 1.712 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N1CCC(O)(COC)CC1 408387166 QRJSOSNWRVOYBG-CHWSQXEVSA-N 285.384 1.192 0 50 CDAA Cc1nccc([C@@H]2CCCN(c3nccn4cnnc34)C2)n1 678394030 PTEYRMCYQFOTDJ-GFCCVEGCSA-N 295.350 1.607 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2CCCOC2)C1 408516389 VEAXDBATVHSXFS-KKUMJFAQSA-N 296.411 1.125 0 50 CDAA C[C@H](Cc1cnccn1)NCc1nncn1-c1ccccc1 585116953 NIAQUGOTZBVQJJ-CYBMUJFWSA-N 294.362 1.778 0 50 CDAA COc1cc(NC(=O)N2CCC(CO)CC2)cc(Cl)n1 585119894 ZBFGYEFIKMXTSI-UHFFFAOYSA-N 299.758 1.980 0 50 CDAA O=C(NCc1nc2cccnc2[nH]1)c1cc(C2CC2)on1 194219397 YWCMGJRIQIDDCX-UHFFFAOYSA-N 283.291 1.753 0 50 CDAA C[C@H]1CN(CCN(C)C(=O)C2(C)CC2)C[C@@H](C)O1 194720943 SNNQXJUIAWHTNG-TXEJJXNPSA-N 254.374 1.354 0 50 CDAA CC1(Cn2cc(COc3ccccc3O)nn2)COC1 656453073 FORCFCIYWKXYOZ-UHFFFAOYSA-N 275.308 1.599 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H]1CCC[C@@H]2C[C@H]12 909922605 JLTMLXMCYLONIH-WOPDTQHZSA-N 250.342 1.326 0 50 CDAA C=CC(=O)NCCC(=O)N1COCC[C@@H]1c1ccccc1 888190941 YAFWKDRHZNQINR-CQSZACIVSA-N 288.347 1.626 0 50 CDAA CC(C)NC(=O)c1ccnc(N(C)C[C@@H]2CCCO2)c1 1506429719 XBRYRHPCNVOZNT-ZDUSSCGKSA-N 277.368 1.835 0 50 CDAA CCC(CC)C(=O)N1C[C@@H](O)[C@H](Cc2cc(C)[nH]n2)C1 1529113415 YNTUFTNVLZXCEJ-TZMCWYRMSA-N 279.384 1.516 0 50 CDAA COCc1n[nH]c(CN=c2c(F)c[nH]cc2Cl)n1 1857530102 SWLOHEWPSAPWKH-UHFFFAOYSA-N 271.683 1.173 0 50 CDAA Cc1cccc(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c1 1704326235 YVLVQOUMSIYYFE-GASCZTMLSA-N 275.304 1.356 0 50 CDAA Cc1ccc(F)c(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c1F 1704312653 WSQCZBNGAFNXMP-MNOVXSKESA-N 296.317 1.220 0 50 CDAA NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 4218669 CBRZKSUBDJBKIM-UHFFFAOYSA-N 250.611 1.860 0 50 CDAA in-vitro CC(C)(C)C(=O)NC[C@@H](C[C@H]1CCOC1)C(=O)O 725242449 GNYAHAZKWHRKND-NXEZZACHSA-N 257.330 1.276 0 50 CDAA CCCc1nnc(SCC(=O)NC2CCCCC2)n1N 6147520 RGDCROVIDHRSJT-UHFFFAOYSA-N 297.428 1.485 0 50 CDAA C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(C(=O)O)o1 132607671 UTVLBTKDHGSXBS-JGVFFNPUSA-N 253.254 1.227 0 50 CDAA Clc1n[nH]c(C2CC2)c1CN1CC[C@]2(COCCO2)C1 1875272146 NDAKJNFKLVBKOO-CQSZACIVSA-N 297.786 1.932 0 50 CDAA Cn1nc(C(F)(F)F)cc1CN[C@]12CCC[C@@H]1NCC2 1615058455 NGHJQPMEHNBADK-JQWIXIFHSA-N 288.317 1.813 0 50 CDAA COC[C@H](C)C(=O)N1CCn2c(nc(C)c2C)C1 370963777 XHHMGEZAEKCGEG-VIFPVBQESA-N 251.330 1.125 0 50 CDAA CC(C)c1csc(CN2CCOC[C@@H](C(=O)O)C2)n1 1772815751 ZWUJNLKNYWZKON-JTQLQIEISA-N 284.381 1.800 0 50 CDAA O=C(O)c1cnc(N2C[C@H]3C[C@H](O)[C@H]3C2)c(Cl)c1 1772706651 WSBHOQPBYVOROQ-WEDXCCLWSA-N 268.700 1.250 0 50 CDAA Cc1nsnc1C(=O)N1CCO[C@H](c2ccccn2)C1 1775984270 MAJNKPAEFRDCQM-NSHDSACASA-N 290.348 1.455 0 50 CDAA CC(C)c1nccc(C(=O)NCc2[nH]nc3ncccc23)n1 1772812152 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1.955 0 50 CDAA CCCn1nc(C)c(CNC(=O)[C@H](C)n2cccn2)c1C 426472614 CWQDDGONJZZHEB-ZDUSSCGKSA-N 289.383 1.984 0 50 CDAA O=C(NC[C@@H]1C[C@H](F)CN1)c1c[nH]nc1C1CCCCC1 82148553 GYZWHIDQAKTNAZ-RYUDHWBXSA-N 294.374 1.887 0 50 CDAA Cc1nccn1CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 222531717 LYKSLSUFZPKBPE-UHFFFAOYSA-N 299.334 1.068 0 50 CDAA COc1cccc2c1ccn2CC(=O)N[C@@H](C)C(=O)O 40312607 KSILTXQDGYTWCJ-VIFPVBQESA-N 276.292 1.239 0 50 CDAA biogenic O=C(NCCCn1cncn1)c1cccc2cccnc12 41863045 JDBZKZVKGXCNPV-UHFFFAOYSA-N 281.319 1.646 0 50 CDAA CC[C@H](NC(=O)c1ccc(O)cc1C)C1CC(O)C1 223674705 XNAHKPYEQBDALM-OVGLSYRBSA-N 263.337 1.980 0 50 CDAA Cc1cnc(N2CCCO[C@H](CN3CCCCC3)C2)nc1 95356212 LUGPLDCXJIYLRZ-OAHLLOKOSA-N 290.411 1.866 0 50 CDAA C[C@@H](C(=O)N1CC(c2ccccn2)C1)n1cccn1 426434999 TZCLMRLXUZJPCU-NSHDSACASA-N 256.309 1.465 0 50 CDAA COCC(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95385213 MLLOKDMWMCEFQG-ZDUSSCGKSA-N 277.320 1.737 0 50 CDAA CSCCCN1C[C@@H](C(=O)O)[C@H](c2ccncc2)C1 91876876 AHUANFISBDOUBI-QWHCGFSZSA-N 280.393 1.935 0 50 CDAA Cc1n[nH]c(C)c1CCc1nc([C@@H]2CCOC2)no1 96141079 YLDSGSPRGCJVLE-SNVBAGLBSA-N 262.313 1.699 0 50 CDAA O=C(NCc1nnc2ccccn12)c1cc(C(F)F)[nH]n1 426730388 ITNSUTGOPNDJTE-UHFFFAOYSA-N 292.249 1.320 0 50 CDAA CSCCCNC(=O)c1ccc(CN(C)C)o1 97529030 CERNFFMPDRLTHW-UHFFFAOYSA-N 256.371 1.824 0 50 CDAA Cc1nc(-c2cccc(NC(=O)Cc3ccn(C)n3)c2)n[nH]1 181158693 PGUDFJNJUYWPEX-UHFFFAOYSA-N 296.334 1.695 0 50 CDAA COCC1(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)CCC1 91872485 ZEGUXXXNWFVVHN-NWDGAFQWSA-N 281.352 1.372 0 50 CDAA O=C(Nc1nccs1)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 239321939 IYGBPWXPTHMPIX-QMGXLNLGSA-N 264.306 1.279 0 50 CDAA C1CO[C@@H](COCc2nc(C3CCOCC3)n[nH]2)C1 97618945 YFUGCPQAVKVTIV-LLVKDONJSA-N 267.329 1.394 0 50 CDAA CC1(C)CN(C(=O)C2(C(N)=O)CC2)C[C@H]1c1ccccc1 91754904 WFLIZPGMXAINNW-ZDUSSCGKSA-N 286.375 1.904 0 50 CDAA Cc1nc(CNC(=O)[C@@H](c2ccccc2F)N(C)C)n[nH]1 95353268 ROHGRBSLTPDEPL-CYBMUJFWSA-N 291.330 1.171 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N(CC(=O)O)C1CCC1 621581432 QEKVLWXRFOVXEU-ONGXEEELSA-N 255.314 1.267 0 50 CDAA Cc1cc(C)n(CCN2CC[C@@H]3CC[C@H](C2)N3C)n1 240203786 JTHYAEARHURULN-LSDHHAIUSA-N 262.401 1.668 0 50 CDAA O=C(COc1ccccc1-c1nnco1)N1CCCC1 183000009 RVUPIIXPUDXQGI-UHFFFAOYSA-N 273.292 1.738 0 50 CDAA Nc1ncc(CC[C@@H]2COc3ccccc3O2)cn1 244795265 RCTLEZURSWZPBL-LLVKDONJSA-N 257.293 1.831 0 50 CDAA CCC1(CC)[C@H](NC(=O)Cn2ccnc2)[C@H](C)[C@H]1OC 245289791 FEEMKSHXMUKGFH-IACUBPJLSA-N 279.384 1.839 0 50 CDAA Cc1cccc2[nH]c(CCNC(=O)CCCC(=O)O)nc12 244742014 OAOVGFQNEKNDAW-UHFFFAOYSA-N 289.335 1.785 0 50 CDAA Cc1c([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)oc2ccccc12 299741683 ADFQOFHVPPJFCW-LOWVWBTDSA-N 288.347 1.641 0 50 CDAA CC[C@H](C)[C@H](CO)NC(=O)c1cc(CC(C)C)[nH]n1 252527476 CQCUJTNAQLSDBL-GWCFXTLKSA-N 267.373 1.745 0 50 CDAA c1ccc(CN(CCn2cncn2)C[C@@H]2CCCO2)nc1 252481555 COABVBZHUNQYIH-HNNXBMFYSA-N 287.367 1.354 0 50 CDAA COc1cccc([C@H]2CCN2CCn2cc[nH]c2=O)c1 252480645 CBSREUDANZITJQ-CQSZACIVSA-N 273.336 1.632 0 50 CDAA CC(=O)N[C@H](Cc1ccc(-c2ccnn2C)cc1)C(=O)O 534634937 WPDBTOHPNYURHZ-CYBMUJFWSA-N 287.319 1.219 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1cnn(CC)c1C 534676178 JTLDXXYXICTJAC-SNVBAGLBSA-N 290.371 1.704 0 50 CDAA CC(C)[C@H](NC(=O)CN1CCCCCC1)c1ncnn1C 534642710 QWTHHRHFJLXVKJ-AWEZNQCLSA-N 293.415 1.504 0 50 CDAA O=C(N[C@@]1(CCO)CCOC1)[C@H]1CCOc2ccccc21 278230998 YJSCCKXYOFGIST-BBRMVZONSA-N 291.347 1.210 0 50 CDAA CN(Cc1cn[nH]c1)C(=O)[C@@]12CCCC[C@@H]1NCC2 1340221809 GRPLPTHLDLZWIY-GXTWGEPZSA-N 262.357 1.290 0 50 CDAA COc1cccc(C)c1NC(=O)N1CCOC[C@H]1CO 299778831 HUCKKKRSYOTSFC-LLVKDONJSA-N 280.324 1.229 0 50 CDAA Cc1[nH][nH]c(=O)c1CC(=O)N[C@H]1COC2(CCCCC2)C1 299782750 NHMIZRZGRUPLPV-LLVKDONJSA-N 293.367 1.162 0 50 CDAA O=C(CCCn1cccn1)NC1(C(=O)O)CCCC1 299779225 SVXTXVIQGWRIBV-UHFFFAOYSA-N 265.313 1.177 0 50 CDAA CCc1noc(CN(CC)C(=O)Nc2cnns2)n1 299771267 VHNFFXFMFSVPNV-UHFFFAOYSA-N 282.329 1.538 0 50 CDAA Cc1nc(N2CCC[C@@H]2C(=O)O)nc2ccccc12 299798664 UEFVAIMZEDLBHN-GFCCVEGCSA-N 257.293 1.992 0 50 CDAA CC(=O)c1[nH]c(C)c(C(=O)NCc2nnc(C)o2)c1C 825295896 XWABJJBNJJASHT-UHFFFAOYSA-N 276.296 1.456 0 50 CDAA CN(C)C[C@H]1COCCN(C(=O)c2ccncc2Cl)C1 584896806 OXKQQOSKAMRELY-LLVKDONJSA-N 297.786 1.385 0 50 CDAA Cc1nc2ncccn2c1C(=O)NCc1cnn(C)c1C 584888844 PZXBAZROMONUPZ-UHFFFAOYSA-N 284.323 1.010 0 50 CDAA CCN(C)C1(CNS(=O)(=O)N2CCCC2)CCCC1 823067918 ZJXNDPLYLJIGMW-UHFFFAOYSA-N 289.445 1.181 0 50 CDAA Cc1cnc(CN(C)C(=O)CCc2c(C)nn(C)c2C)[nH]1 825116681 CRJJZTFWYYDAJV-UHFFFAOYSA-N 289.383 1.660 0 50 CDAA C[C@@H](CCn1cccn1)n1cnc2cnccc2c1=O 584898646 JKHOVWVUXQICRM-NSHDSACASA-N 269.308 1.639 0 50 CDAA COCCN(C)CC(=O)N[C@H](C)c1ccc(C)nc1 670448406 FJQFVNQVESDYKD-GFCCVEGCSA-N 265.357 1.145 0 50 CDAA CCCc1ncncc1C(=O)N(C)CCc1noc(C)n1 584900347 PANARHNEFNADOM-UHFFFAOYSA-N 289.339 1.435 0 50 CDAA Cc1cccc(F)c1C(=O)NCCN1CCCC[C@H]1CO 670445485 JFQLBDBCVADWTK-ZDUSSCGKSA-N 294.370 1.711 0 50 CDAA CC(C)=CC(=O)N1CCCC[C@H]1c1n[nH]cc1C(N)=O 864915942 HLSIPOAORZCGLF-NSHDSACASA-N 276.340 1.528 0 50 CDAA COc1nscc1-c1noc(CCn2cccn2)n1 685940600 PIBVDDCASBAYPN-UHFFFAOYSA-N 277.309 1.641 0 50 CDAA CN(CCc1ncc(C(=O)O)cn1)C(=O)OC(C)(C)C 685949262 OMAZVWHBPBWYAO-UHFFFAOYSA-N 281.312 1.584 0 50 CDAA COc1cccc(OCCN(C)[C@@H]2CC[S@](=N)(=O)C2)c1 1875273101 SOLCUQVHCFMOBR-ODXCJYRJSA-N 298.408 1.825 0 50 CDAA CCc1nc(C)c(CN(CC)CCn2cccn2)[nH]1 952991374 QTTIOMXCTSRQOW-UHFFFAOYSA-N 261.373 1.999 0 50 CDAA O=C(O)C1(C(=O)N2CCC(Oc3ccccc3)CC2)CC1 165028648 FDSARQFCINCFFA-UHFFFAOYSA-N 289.331 1.921 0 50 CDAA Cc1cc(CN[C@@H]2Cc3ccccc3NC2=O)n[nH]1 1329733902 BTWLBLAXQBOUNL-CYBMUJFWSA-N 256.309 1.371 0 50 CDAA Cc1occc1C(=O)N[C@@H]1CCS(=O)(=O)C(C)(C)C1 888398083 SIJUYPGWQXPSAT-SNVBAGLBSA-N 285.365 1.674 0 50 CDAA COc1ccc2ccc(N(C)[C@@H]3COC[C@H]3O)nc2c1 895203792 YBRFEHNRBQRUDH-ZIAGYGMSSA-N 274.320 1.439 0 50 CDAA Cc1cc(C)cc(OCCOCCNCCN)c1 19772434 UGGKKZVHUKGVAM-UHFFFAOYSA-N 252.358 1.247 0 50 CDAA CCc1ccc(OCCOCCNCCN)cc1 19772475 RYRJCGNNYCCCOX-UHFFFAOYSA-N 252.358 1.193 0 50 CDAA CN(C(=O)[C@@H]1NCCOc2ccccc21)c1cn[nH]c1 1775539330 ROZLEMXSOBKBCV-CYBMUJFWSA-N 272.308 1.096 0 50 CDAA Cn1cncc1[C@@H]1C[C@H]1NC(=O)[C@@H]1CCOC(C)(C)C1 1775999396 LTSSNNBTTPJWCM-IJLUTSLNSA-N 277.368 1.597 0 50 CDAA C=CC(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1 1335324797 UBCBLURUENTDHL-OAHLLOKOSA-N 274.364 1.498 0 50 CDAA N[C@@]12CCC[C@H]1CN(C(=O)Cc1cccc(O)c1)C2 1344101835 DJMMJBDMYYMEBB-SWLSCSKDSA-N 260.337 1.275 0 50 CDAA O=C(NCCc1cnc(O)nc1)[C@@H]1Cc2ccccc21 899706821 VBQHRJXNOCJBHR-CYBMUJFWSA-N 269.304 1.181 0 50 CDAA O=C(NCc1cnc2n1CCC2)[C@@H]1CC[C@H]2CCCCN12 1364018734 FRPOFWWPGMEZMD-OCCSQVGLSA-N 288.395 1.462 0 50 CDAA CCC[C@H]1CN(Cc2nc(C(C)C)no2)C[C@@H]1NC(C)=O 1565507515 GRFBGYMOWJDUOQ-STQMWFEESA-N 294.399 1.930 0 50 CDAA C=C=CCNS(=O)(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 1365718303 VITAVRSVQLSQHZ-BDAKNGLRSA-N 285.287 1.357 0 50 CDAA CN(C)C[C@@]1(O)CCCN(c2ncnc3ccsc23)C1 631343905 KCJJENQQKSQMPE-AWEZNQCLSA-N 292.408 1.584 0 50 CDAA C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCc2ccsc2C1 275953960 AMPHUZUNUMEJPK-JOYOIKCWSA-N 287.406 1.613 0 50 CDAA CCc1nnc(N2C[C@H](COC)OC(C)(C)C2)nc1CC 583616848 YRIBBCHHHZOFJI-LLVKDONJSA-N 294.399 1.627 0 50 CDAA CCS(=O)(=O)Nc1cc([C@@H]2CCCO2)nn1C 278555069 AKGSMPKOVLIZJK-VIFPVBQESA-N 259.331 1.033 0 50 CDAA O=C1C[C@]2(CCN(c3ccc4ccccc4n3)C2)CN1 279183697 VTOZNDPBDLAYOK-MRXNPFEDSA-N 267.332 1.951 0 50 CDAA Cc1nnc([C@@H](C)N2CCN(C3CC3)CC2)s1 170616833 OHMHZTJUNQMXEM-SECBINFHSA-N 252.387 1.688 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)c3cccn3C)C2)n1 584906909 GQOIXKVAPPMIRT-UHFFFAOYSA-N 258.325 1.536 0 50 CDAA CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23OCCO3)C[C@H](C)O1 585137675 ODVNKGSCGILRLP-YNEHKIRRSA-N 298.383 1.491 0 50 CDAA Cc1cc(C)n2nc(S[C@@H]3CCOC3)nc2n1 188183273 CLCSUDCKIPGRBW-SECBINFHSA-N 250.327 1.622 0 50 CDAA C[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)CCN1 188419209 XUXDYUDGHNNSPS-OGOUPESXSA-N 272.348 1.455 0 50 CDAA CN(C[C@@H]1CCS(=O)(=O)C1)c1ncc(Cl)cn1 408331026 VMGCIXGJGMUABT-QMMMGPOBSA-N 275.761 1.001 0 50 CDAA CCCCn1nccc1NC(=O)c1cnc(C(=O)O)cn1 647116916 SCDGZLOITVCTRB-UHFFFAOYSA-N 289.295 1.424 0 50 CDAA C[C@H]1CCCN(C(=O)c2cccc(Cl)n2)[C@H]1CN 195542974 AHUBNEOOOWNICW-ONGXEEELSA-N 267.760 1.934 0 50 CDAA NC[C@H](NS(=O)(=O)CCCF)C1CCCCC1 195544537 XIYLYUSFXRLTHX-NSHDSACASA-N 266.382 1.173 0 50 CDAA CO[C@H](C(=O)Nc1ccc(C(=O)O)c(C)c1)[C@H]1CCOC1 659135406 PKWDPERWKDQGRE-GWCFXTLKSA-N 293.319 1.683 0 50 CDAA CCOC(=O)C1(C(=O)NCCc2ccccn2)CCCC1 573686479 XLLODZLRSOLXLB-UHFFFAOYSA-N 290.363 1.864 0 50 CDAA Cc1cc(C(=O)NCc2cccc(CO)n2)ns1 580724272 XABLTJIQVPIZBU-UHFFFAOYSA-N 263.322 1.269 0 50 CDAA O=C(CCC(F)(F)F)N1CCNC[C@@H]1c1ccncc1 581720859 HRBIQPKERGHVRJ-LLVKDONJSA-N 287.285 1.897 0 50 CDAA O=C(CCN[C@@H]1CCN(c2ccccc2)C1)N1CCCC1 1506399420 NLOUOQHGAXDLJO-OAHLLOKOSA-N 287.407 1.867 0 50 CDAA c1cnc(N2CCN(C3CSCCSC3)CC2)cn1 1506421973 MIURMXDPVZIKNT-UHFFFAOYSA-N 296.465 1.447 0 50 CDAA COc1cccc(OC)c1-c1nc(C(=O)O)nn1C 1506400484 JWBCVYGGECVSKF-UHFFFAOYSA-N 263.253 1.198 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)c3ccns3)C2)n1 1857684640 WHOVHCLQBCNAMM-UHFFFAOYSA-N 262.338 1.654 0 50 CDAA CCCCN1CCN(c2ncc(F)c(OC)n2)CC1 1704309225 LDPKFMAKLGCHIQ-UHFFFAOYSA-N 268.336 1.546 0 50 CDAA Cc1ncc(Cl)c(NCCCN2CCCC2=O)n1 1704308311 HCWIBHPVTZUWEV-UHFFFAOYSA-N 268.748 1.863 0 50 CDAA O=C(NCC1CCCCC1)[C@@H]1CCc2nncn2C1 336450930 UHKMURNNJSVXBI-GFCCVEGCSA-N 262.357 1.537 0 50 CDAA O=C(O)CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 134434594 RPXHKMVKRJKFIF-RQJHMYQMSA-N 253.220 1.556 0 50 CDAA CN[C@@H](C)C(=O)N1CCC(CN)(c2ccccc2)CC1 1615555921 ZTPOENGZKHTLBU-ZDUSSCGKSA-N 275.396 1.113 0 50 CDAA Cc1csc(C(=O)NC[C@@H]2CCN2C2CCOCC2)n1 1615617350 UNYLXZMWHNIKRZ-LBPRGKRZSA-N 295.408 1.435 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)NCc2cnccn2)s1 1615616245 YWFKEDAZPLMQOL-SECBINFHSA-N 277.353 1.802 0 50 CDAA COCCCN1CCC(Nc2cnccn2)CC1 263819641 XEBZIDZHULYGEJ-UHFFFAOYSA-N 250.346 1.389 0 50 CDAA COc1ccc(CCNc2nnc(C(C)(C)N)o2)cc1 1772709868 NRDFIPMYHQGKLR-UHFFFAOYSA-N 276.340 1.927 0 50 CDAA C[C@@]12C[C@@H]1CN(CCCOc1ccc(C(N)=O)cc1)C2 1772807450 XCHRXAHEZFNSKF-CJNGLKHVSA-N 274.364 1.896 0 50 CDAA Cc1cc(C)n(CCCN(C)C[C@@H]2CCC(=O)N(C)C2)n1 1772806829 GHAODQRUKGIMTH-HNNXBMFYSA-N 292.427 1.690 0 50 CDAA CSCC(=O)N[C@@H]1CCCc2nc(N(C)C)ncc21 12570829 HXQWRWLTWZPJFX-SNVBAGLBSA-N 280.397 1.399 0 50 CDAA CNC(=O)Cc1ccc(NC(=O)COc2ccccc2)cc1 13716802 NXJPYANGUXMBEH-UHFFFAOYSA-N 298.342 1.993 0 50 CDAA CC(C)(O)[C@H](O)Cc1cc2ccc(=O)oc2cc1O 14650280 WRTWKAQFZYXAEJ-GFCCVEGCSA-N 264.277 1.173 0 50 CDAA biogenic,in-vitro CCOc1ccc(S(=O)(=O)n2ccnc2)cc1OCC 16577486 JAKRUDUSSSEYAG-UHFFFAOYSA-N 296.348 1.918 0 50 CDAA NC(=O)c1c(NC(=O)N2CCCC2)sc2c1CCC2 16648774 GAKLENYBZCKSPB-UHFFFAOYSA-N 279.365 1.963 0 50 CDAA COc1ccc(F)cc1CN1CCOC[C@H]1CO 168890225 HFTGMVMYBYSYPN-GFCCVEGCSA-N 255.289 1.027 0 50 CDAA C1CCC(CN[C@@H]2CCCOC2)(N2CCOCC2)CC1 154181778 HXQJAFREYRDKKD-OAHLLOKOSA-N 282.428 1.790 0 50 CDAA Cn1ccnc1CN1CCC(C2CCNCC2)CC1 1857717106 MGNOPJFRVDWXAM-UHFFFAOYSA-N 262.401 1.632 0 50 CDAA O=C(NC1Cc2ccccc2C1)[C@H]1CCn2nccc2C1 1857670283 FRLOZEXYPXKTGC-AWEZNQCLSA-N 281.359 1.729 0 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273.239 1.251 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CCC12COC2 1875314124 IPXAGRAVTZLHEF-ZJUUUORDSA-N 291.351 1.057 0 50 CDAA CC(C)(C)OC(=O)[C@@H]1[C@H](CO)CN1C(=O)OC(C)(C)C 1384881729 DUWGFJASFZHWLB-UWVGGRQHSA-N 287.356 1.556 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ncc(C)o2)C1 888079330 XEANXVRFNGWSPH-GHMZBOCLSA-N 262.313 1.668 0 50 CDAA CC(C)Cc1cc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)ncn1 896968692 DUSVKJLOOZGUBQ-RTXFEEFZSA-N 265.357 1.361 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccnc1 248163473 YTBXLWJGFMCOJD-ZIAGYGMSSA-N 259.353 1.780 0 50 CDAA COc1cccc([C@H](C)C(=O)N[C@@H](CO)C(F)(F)F)c1 1365118155 CQOJHHHEDZGAPE-KWQFWETISA-N 291.269 1.838 0 50 CDAA O=C(Nc1cnns1)c1cc(Br)c[nH]1 166371709 SZJMEPVUAVLBBW-UHFFFAOYSA-N 273.115 1.881 0 50 CDAA O=C(N[C@@H]1CCSc2c(F)cccc21)[C@H]1C[C@@H](O)CN1 276644939 NECWZFMNDSWACM-GGZOMVNGSA-N 296.367 1.202 0 50 CDAA COC(=O)[C@@H]1CCc2nnc([C@@]3(C)CCCO3)n2C1 601044903 SHLMHKIHJZJKBE-NOZJJQNGSA-N 265.313 1.039 0 50 CDAA O[C@H](CN=c1cncc[nH]1)c1cccc(Br)c1 408515991 WDCNUFUTWOKBBM-LLVKDONJSA-N 294.152 1.807 0 50 CDAA O=C(NCCc1ccc2c(c1)CCO2)c1ccon1 172226695 RJWKIPBDBYLDFI-UHFFFAOYSA-N 258.277 1.582 0 50 CDAA C[C@@H]1CN(C(=O)c2cnn3c2CCC3)CC[C@@H]1C(=O)O 637794934 QGCRWHVUUBANPI-ZJUUUORDSA-N 277.324 1.012 0 50 CDAA CC(C)(C)c1nsc(NC[C@]2(O)CCOC2)n1 189009821 HQFHXJBTMPNQKU-LLVKDONJSA-N 257.359 1.399 0 50 CDAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc(O)cc1F 189003314 HJHFMPRUAPHJJR-ZDUSSCGKSA-N 294.326 1.518 0 50 CDAA CCc1nc(CN2CCC[C@@H]2c2ncccn2)n[nH]1 639863742 BEBKEJARZZEFAM-SNVBAGLBSA-N 258.329 1.494 0 50 CDAA Cc1cc(N2CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)n[nH]1 190775822 AMMCAUBYRXNBIO-OLZOCXBDSA-N 292.383 1.182 0 50 CDAA Cc1cc(Cl)c(C(=O)N2CCO[C@@H](C(=O)O)C2)cc1C 190976537 VIOZOCNJOSSECL-GFCCVEGCSA-N 297.738 1.882 0 50 CDAA CCOC1CC(C(=O)N2C[C@H](OC)C[C@H]2c2ncc[nH]2)C1 644121721 XPAOBJUEZUSDTI-TUUUFIMRSA-N 293.367 1.513 0 50 CDAA Cn1nc(CC(=O)N2CCCc3n[nH]cc32)c2ccccc21 566084308 ZEZAQJZYBQKJLE-UHFFFAOYSA-N 295.346 1.818 0 50 CDAA Cc1nc(N)nc(N2CCC[C@H](O)CC2)c1Cl 1506404482 YGOMNSZEGRIAHV-QMMMGPOBSA-N 256.737 1.372 0 50 CDAA CC(=O)c1ccc(NCCN2CCCC[C@H]2CO)nc1 1506397436 NCTOURPIPOVPJY-AWEZNQCLSA-N 277.368 1.543 0 50 CDAA Cc1cc(CN(C)CCn2cc(Cl)cn2)on1 1506398547 DYDQQCLRNRPWNP-UHFFFAOYSA-N 254.721 1.965 0 50 CDAA Cc1cnccc1CN(C)c1ncnc2[nH]cnc12 1529168981 PECFLLKKLJTDGS-UHFFFAOYSA-N 254.297 1.693 0 50 CDAA CON(C)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 57054 KPVRHJIGNMLCHG-SECBINFHSA-N 258.318 1.406 0 50 CDAA in-vitro Clc1cc(I)c2ncnn2c1 205958138 LENYWTQYOHGJLB-UHFFFAOYSA-N 279.468 1.987 0 50 CDAA in-vitro Cc1cc(C[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2O)on1 1529169349 XIKQTYLSVBFJBS-PWSUYJOCSA-N 292.360 1.720 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@@H](N)C[C@H]1C 408519168 LHKGICDVGRIUMC-VDDIYKPWSA-N 265.357 1.733 0 50 CDAA COc1nc(NC[C@H]2COc3ccccc3O2)ncc1F 1704331129 OQTGOJSLBUAYNB-VIFPVBQESA-N 291.282 1.876 0 50 CDAA Cn1cc(C(C)(C)C(=O)N2CC[C@H]2C(F)F)cn1 633234463 CSPOUGISUZKFSG-VIFPVBQESA-N 257.284 1.564 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)CC1=CCCCC1 643941300 DFEMCDRDDXOPDN-OAHLLOKOSA-N 280.368 1.370 0 50 CDAA COC[C@H]1CCCCN1C(=O)NCc1cnc(C)o1 333668544 XTSDHVBKPFCBTB-LLVKDONJSA-N 267.329 1.694 0 50 CDAA CN(Cc1ccco1)S(=O)(=O)C[C@@H]1C[C@H]1C(F)F 1875288473 GMZKVRRGWLNUAK-WCBMZHEXSA-N 279.308 1.942 0 50 CDAA Cc1ccc(CNC(=O)N2CC(C[S@](C)=O)C2)cc1 1875303928 SHTBJWXFNFYBDO-IBGZPJMESA-N 280.393 1.515 0 50 CDAA COCCNCCNC(=O)c1cc(F)ccc1C 152457625 XJIYCMCRDABRBF-UHFFFAOYSA-N 254.305 1.100 0 50 CDAA CCn1nnc2c(N[C@@H](C)c3cccnc3)ncnc21 1615057228 SCTJCLUNVACLOD-VIFPVBQESA-N 269.312 1.809 0 50 CDAA COCCC1CCN(CCc2nccn2C)CC1 1529172504 NELVILGSLAPMMW-UHFFFAOYSA-N 251.374 1.711 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1cc(C(C)(C)C)n[nH]1 1772710489 WTXWKBNIGNGABH-AAEUAGOBSA-N 290.411 1.902 0 50 CDAA OCC1(CO)[C@H]2CN(CC3CCC(F)(F)CC3)C[C@@H]21 1772707905 XYHUYORSEGDGNS-RYUDHWBXSA-N 275.339 1.345 0 50 CDAA O=C(NCc1ncn[nH]1)c1ccc([C@H]2CCCN2)s1 19743248 GKQZADPGZAGARN-MRVPVSSYSA-N 277.353 1.221 0 50 CDAA CCc1cc(-c2nc(C[C@H]3CCCO3)no2)n(C)n1 19794963 IEKIWHCWJFGFEB-SNVBAGLBSA-N 262.313 1.754 0 50 CDAA Cc1c(CN(C)C(=O)c2ccn3nccc3c2)cnn1C 1857730592 WXQPOBUGRWICQF-UHFFFAOYSA-N 283.335 1.648 0 50 CDAA CCC[C@H](NC(=O)C[C@H]1CCC(=O)[C@@H]1C)c1nn[nH]n1 526021354 BZGZYUDQAFATAT-BBBLOLIVSA-N 279.344 1.162 0 50 CDAA O=C1CC(=O)N(c2cccc(Br)c2)C(=S)N1 170695 RTIYLLVUZSECDV-UHFFFAOYSA-N 299.149 1.587 0 50 CDAA in-vitro Cc1nn(C)c(=O)c(C(=O)N2CCC[C@@H](C)[C@H]2C)c1C 225411751 WDMMNHPIZDACHP-BXKDBHETSA-N 277.368 1.658 0 50 CDAA CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 2874545 ZVHJRPJGGOZRAT-LLVKDONJSA-N 282.365 1.297 0 50 CDAA c1cc(CN[C@@H]2CCc3ncnn3C2)c2[nH]ccc2c1 329157021 WBLKODGROIBVCH-CYBMUJFWSA-N 267.336 1.864 0 50 CDAA C[C@@H](O)[C@@H]1CN(Cc2cccc3c2CCOC3)CCO1 639672546 GYOVPBLCHOHLQK-WBMJQRKESA-N 277.364 1.341 0 50 CDAA CO[C@]1(c2nnc(CN3CCC=C(C)C3)o2)CCOC1 644273346 LRXYYMKXCJHQGW-CQSZACIVSA-N 279.340 1.484 0 50 CDAA CCCc1ncc(CNC(=O)N2C[C@H]3CC[C@H]2CN3)o1 333325240 VDHAXOBJFNNBTN-MNOVXSKESA-N 278.356 1.273 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)O)c2ccccc2)O1 129340194 FSYZIVKMOPZQAA-JLLWLGSASA-N 263.293 1.496 0 50 CDAA C[C@H]1CN(C(=O)c2cccc3c2OCO3)C[C@@H](C)N1 153940340 MFAHPHHALHQRKJ-AOOOYVTPSA-N 262.309 1.238 0 50 CDAA CCN(C(=O)c1cc(C)nc2cc(C)nn12)c1cnn(C)c1 848343091 YXVVJLXROUZTRH-UHFFFAOYSA-N 298.350 1.746 0 50 CDAA O=C(O)[C@H]1c2ccccc2OCCN1C(=O)C1CCC1 911052517 HEMUOPXHJVRXNB-CYBMUJFWSA-N 275.304 1.833 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)C=C(C1CC1)C1CC1 818310468 JKIAKMVRIPVQAU-MRXNPFEDSA-N 293.363 1.825 0 50 CDAA Cc1cccn2cc(C(=O)N3CC(n4cncn4)C3)cc12 928996223 PCBZKCJCVIJJHB-UHFFFAOYSA-N 281.319 1.536 0 50 CDAA O=C(c1ccccc1O)N1CCN2CCCC[C@@H]2C1 110312290 GQTZKQKQGMEEAE-GFCCVEGCSA-N 260.337 1.703 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)N)C2)cc1 111713146 DQMSATPTOWMMNV-RYUDHWBXSA-N 298.408 1.443 0 50 CDAA COCCNC(=S)N1CCN(C2CCCCC2)CC1 2872665 XSAYZLQNVWFUTK-UHFFFAOYSA-N 285.457 1.458 0 50 CDAA CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2nccs2)C1 4983918 WDASWWGRLSJXDV-SNVBAGLBSA-N 297.380 1.357 0 50 CDAA C[C@@H](NC(=O)c1c(O)cccc1F)c1cnn(C)c1 126050619 WSMXBYNHGXYHDM-MRVPVSSYSA-N 263.272 1.756 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)o1 237994148 OFKFTTHGBFUJEQ-IUCAKERBSA-N 267.281 1.259 0 50 CDAA N[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)C1CC1 238035830 USJZYANJAYNPGR-LBPRGKRZSA-N 271.320 1.809 0 50 CDAA COC(=O)c1cnc(NCCCc2cn[nH]c2C)nc1 253415455 VGJBNHXAXAYEMX-UHFFFAOYSA-N 275.312 1.339 0 50 CDAA CCCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619749 OINRSMJUULIMHA-WYUUTHIRSA-N 267.325 1.337 0 50 CDAA Cc1csc(=O)n1CCN1CC[C@H](N2CCCC2)C1 170739180 VEXNQEJVTWJDBR-ZDUSSCGKSA-N 281.425 1.388 0 50 CDAA Cc1ncccc1CNC[C@H]1CCc2nccn2C1 328655599 YNMUGSGRRQSXKU-CYBMUJFWSA-N 256.353 1.939 0 50 CDAA Cc1nc(CSc2nnc(CCN)n2C)c(C)s1 426711543 ZWKLAMRCBXDMOY-UHFFFAOYSA-N 283.426 1.682 0 50 CDAA CC(C)[C@@H](CNc1ncccc1C(N)=O)N(C)C 534632208 SRVASOLHZQEEBC-LLVKDONJSA-N 250.346 1.179 0 50 CDAA Cc1cnn(C)c1CN1CC[C@H](O)CC(C)(C)C1 336226724 HKQIOFXWNGHTOH-LBPRGKRZSA-N 251.374 1.711 0 50 CDAA OC1CN(C2CCN(c3ncc(Cl)cc3F)CC2)C1 2100483652 GQQJALHYQODBDX-UHFFFAOYSA-N 285.750 1.519 0 50 CDAA O=C1CC[C@@H](CC(=O)N2CCC3=C(CCCC3)C2)N1 2325800870 KRSMOURFJBGTBD-ZDUSSCGKSA-N 262.353 1.758 0 50 CDAA CS(=O)(=O)N1CCc2cc(Br)ccc21 129601 KLTSAXZCGBYCPU-UHFFFAOYSA-N 276.155 1.771 0 50 CDAA CC(=O)C[C@]1(O)C(=O)Nc2ccc(Br)cc21 203166 JIEOWMKDHNNNHF-LLVKDONJSA-N 284.109 1.568 0 50 CDAA CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2)NC(=S)N1 312396 AKPRQTAMWRIJGH-GFCCVEGCSA-N 275.377 1.568 0 50 CDAA O=C(c1ccccc1F)N1CCN(c2ncccn2)CC1 475932 KSCUBRSLKBLTDS-UHFFFAOYSA-N 286.310 1.578 0 50 CDAA NS(=O)(=O)c1ccc(NC(=S)N2CCCC2)cc1 611895 YAYISTBARKMYAI-UHFFFAOYSA-N 285.394 1.127 0 50 CDAA Cc1ccc(C)c(S(=O)(=O)NCCCn2ccnc2)c1 2463130 SWHBMVKBQNPFAU-UHFFFAOYSA-N 293.392 1.869 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCC[C@]12CCCNC2=O 2356140478 KQYUDPKGEXKRKE-AWEZNQCLSA-N 261.325 1.208 0 50 CDAA COCc1cc(CN2C[C@H]3C(=O)OC[C@H]3C2)ccc1OC 2356143050 SLMRMHGBSCVZTF-ZIAGYGMSSA-N 291.347 1.446 0 50 CDAA CCCOc1ccc([C@@H](N)CC(=O)O)cc1OC 2545689 SNUPQGVALNOUFX-JTQLQIEISA-N 253.298 1.959 0 50 CDAA O=C1NC[C@H]2CN(Cc3ccc(-n4ccnc4)cc3)C[C@@H]12 2356163542 IDVFLIHYPJVKJM-DZGCQCFKSA-N 282.347 1.050 0 50 CDAA COc1ccc(OC)c(CN2CCC[C@H](O)C2)c1 2811246 JAITZLCJEAIXBU-LBPRGKRZSA-N 251.326 1.661 0 50 CDAA O=S(=O)(NN1CCOCC1)c1ccc2ccccc2c1 2888902 OAWFIGVLDRQHEH-UHFFFAOYSA-N 292.360 1.365 0 50 CDAA NC(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 4159461 ZHDWAIQYEYQWCI-UHFFFAOYSA-N 268.272 1.311 0 50 CDAA CCN(CC)S(=O)(=O)c1cc2c(cc1C)OCC(=O)N2 4512191 KCDFQKVSFJPHGI-UHFFFAOYSA-N 298.364 1.356 0 50 CDAA N[C@@H](CC(=O)O)C(=O)Nc1ccc2ccccc2c1 6118785 YRMVHTZHFWHHIU-LBPRGKRZSA-N 258.277 1.580 0 50 CDAA in-vitro CC[C@@H](C)NS(=O)(=O)c1csc(C(=O)NC)c1 6681581 VXOGUYLMKINPIY-SSDOTTSWSA-N 276.383 1.185 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)NC2CCCCC2)[C@H]2C=C[C@H]1C2 102233808 GZFZHAGZCXCMND-UKJIMTQDSA-N 263.337 1.958 0 50 CDAA Cc1cc(-c2nn3c(-c4cnccn4)nnc3s2)[nH]n1 22504333 WNXXENYDFXZTOE-UHFFFAOYSA-N 284.308 1.341 0 50 CDAA Cc1oc2ncnc(NC(=O)[C@H](C)n3cncn3)c2c1C 172325749 VAWFKAFFXKQBEV-QMMMGPOBSA-N 286.295 1.631 0 50 CDAA CCN(C)[C@@H](C(=O)N1CC[C@@H](C(=O)O)C1)c1ccccc1 247448443 YSNBVXKNYADDAM-ZIAGYGMSSA-N 290.363 1.613 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)Cn1ncc2ccccc21 136486076 VESCEOXIKJBWHD-CYBMUJFWSA-N 287.319 1.502 0 50 CDAA C[C@@H]1C[C@@H](OC[C@H](O)CN2CCN(C)CC2)CC(C)(C)C1 22588903 YVAWMZJIRZQCSS-BZUAXINKSA-N 298.471 1.826 0 50 CDAA CCc1nocc1CN(CCOC)[C@@H]1CCOC1 353232644 UKZQLOAQMURBHW-GFCCVEGCSA-N 254.330 1.474 0 50 CDAA Cc1cc(N(C)CCn2nc(C)cc2C)nc(N)n1 32580859 IHSHJBVNMSBCCZ-UHFFFAOYSA-N 260.345 1.317 0 50 CDAA CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1CC[C@H](CO)CC1 331851185 INPNZPPMNDVXLS-RBSFLKMASA-N 296.411 1.349 0 50 CDAA Fc1cnc(NC[C@@H]2CCCO2)nc1N1CCCC1 65382241 DEZMCWUEYTXHTO-JTQLQIEISA-N 266.320 1.807 0 50 CDAA COCC(=O)N(CCN(C)C)Cc1ccccc1C 63846382 XWUOKOKZXBKTMP-UHFFFAOYSA-N 264.369 1.532 0 50 CDAA Cc1c(O)cccc1C(=O)N[C@@H](CC(=O)O)C(C)C 125445775 XKZRDHNEZLNCHO-NSHDSACASA-N 265.309 1.930 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC(=O)c2nonc2C)n1 65410246 MEZKVYZIWMUMTI-QMMMGPOBSA-N 263.301 1.010 0 50 CDAA CC1=C[C@@H](c2ccccc2)c2c([nH]c(=O)[nH]c2=O)O1 337278 SSUMRXYXWLGAAA-JTQLQIEISA-N 256.261 1.491 0 50 CDAA CC(C)Cc1nnc2sc(CCc3nncn3C)nn12 71746492 KOAVCEKEUKOIBA-UHFFFAOYSA-N 291.384 1.298 0 50 CDAA COCC[C@H]1CCCCN(CCN2CCO[C@H](C)C2)C1 253397124 IHHVZVKZMZKQBQ-HZPDHXFCSA-N 284.444 1.846 0 50 CDAA CC(C)(SCC(=O)NC1CCC1)C(=O)NC1CCC1 253415250 QWLOIEPDQLIZHY-UHFFFAOYSA-N 284.425 1.836 0 50 CDAA CCn1ncnc1CN1CCC[C@@H](C(=O)c2ccccn2)C1 216236336 MSAXAPADLXYFPJ-CYBMUJFWSA-N 299.378 1.788 0 50 CDAA CCn1cnnc1[C@@H]1CN(CCc2cccs2)CCO1 328633238 LXHJAFTZAWDLOQ-ZDUSSCGKSA-N 292.408 1.976 0 50 CDAA Cc1nc2ncc3c(=O)n(-c4ccccc4F)ccc3n2n1 30875079 WCRVWJJFIIPWHT-UHFFFAOYSA-N 295.277 1.876 0 50 CDAA C[C@@]1(NCC(=O)O)CCN(Cc2cccc(Cl)c2)C1 328603750 HAXJMCPCBKNQDM-CQSZACIVSA-N 282.771 1.979 0 50 CDAA CCN1CC[C@@H](N(C)C(=O)CCCNC)[C@H](C)C1 430799198 WNYDKRPOMFCMGZ-CHWSQXEVSA-N 255.406 1.175 0 50 CDAA C[C@@H](Cn1ncc2ccccc21)C(=O)N1CCC[C@H]1CO 331655323 MZXPEVDGXLBKBM-JSGCOSHPSA-N 287.363 1.656 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@H]2CCC[C@]21C1CC1 216452228 VHBWORDPHOBUCY-YXMPFFBPSA-N 273.336 1.211 0 50 CDAA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1cc(Cl)nc(N)n1 241644329 PPYLPWSHLVVYRC-HLTSFMKQSA-N 295.774 1.335 0 50 CDAA Cc1cc(C)nc(N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)n1 284623169 SAIYOKUWPADCRD-IIAWOOMASA-N 291.395 1.850 0 50 CDAA O=C(CC1(O)CCCCC1)N1CCC[C@@H]1Cn1cncn1 374097673 SXYWYYYTAHLDMY-CYBMUJFWSA-N 292.383 1.354 0 50 CDAA CCc1cc(NC(=O)[C@@H]2CC(=O)N(C)C2)ccc1F 340761445 PNQHRFPIKMAQJJ-SNVBAGLBSA-N 264.300 1.805 0 50 CDAA O=C(NC[C@@H]1CCCc2ccccc21)N[C@@H]1COC[C@H]1O 333917774 CDBVACQSVAPFKR-NWANDNLSSA-N 290.363 1.165 0 50 CDAA O=C(c1ccccc1)C1CCN(C[C@@]2(O)CCNC2)CC1 77406565 COKAOFDPPCIBPK-QGZVFWFLSA-N 288.391 1.306 0 50 CDAA CC(C)(O)CC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 334311355 RDILNSTUAFXOPM-MFKMUULPSA-N 299.317 1.760 0 50 CDAA O=C(COCc1ccccc1)NCCc1ccncc1 215463066 NPTBCCUIXXRFRL-UHFFFAOYSA-N 270.332 1.957 0 50 CDAA O=C(c1ccn(C(F)F)n1)N1CCO[C@@H](C2CC2)C1 219956257 ZFSFSCZVRMEYMY-SNVBAGLBSA-N 271.267 1.529 0 50 CDAA COc1c(F)ccc(F)c1C(=O)N1CCN2CCC[C@H]2C1 334779578 LHMGAMHLYBJYGW-JTQLQIEISA-N 296.317 1.894 0 50 CDAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2CCNC2=O)c1 72480711 UTKKNTQPBLTYMN-ZDUSSCGKSA-N 290.363 1.008 0 50 CDAA Cc1ccsc1CN1CCC[C@](O)(CN(C)C)C1 72421927 UKHLSCMOJFKVIP-AWEZNQCLSA-N 268.426 1.945 0 50 CDAA O=C(c1cnco1)N(Cc1ccncc1)C[C@H]1CCCO1 220070232 XXLBSSYGOQWKDT-CYBMUJFWSA-N 287.319 1.891 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(C(N)=O)s1 336599011 RGRCPSNLDGHDJM-DTWKUNHWSA-N 281.381 1.189 0 50 CDAA COC(=O)CCCCNS(=O)(=O)c1ccccc1 49283048 JCYHDKRYSBYYMM-UHFFFAOYSA-N 271.338 1.308 0 50 CDAA O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1OCCc2ccccc21 245661920 NJBJAYDGIOUFSE-NOLJZWGESA-N 289.375 1.968 0 50 CDAA CC(C)(C)c1ccc(CS(=O)(=O)C[C@H](O)CO)cc1 177674298 FCMZPQMDPQLZBG-CYBMUJFWSA-N 286.393 1.252 0 50 CDAA O=C(O)C1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 178176985 ADRPMXBHMHYIKV-UHFFFAOYSA-N 287.319 1.429 0 50 CDAA CCC[C@@H](C)C(=O)NCCNC(=O)c1ccn(C(C)C)n1 292602950 WENGBXLGQCKRFM-GFCCVEGCSA-N 294.399 1.746 0 50 CDAA Cc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)O)[nH]n2)o1 178228589 JFFGTWAJHXCPHW-ZETCQYMHSA-N 263.253 1.181 0 50 CDAA CCCc1cc(C(=O)NCCSc2cn[nH]n2)no1 82107226 LLMUNLAQSFBMEP-UHFFFAOYSA-N 281.341 1.267 0 50 CDAA Cc1nc2ccccc2n1CC(=O)NOCC1CC1 293745403 JQKFPOOOEFJHCD-UHFFFAOYSA-N 259.309 1.803 0 50 CDAA O=C(Nc1cccc(-n2cccn2)c1)c1ccnnc1 339586185 BOPYVRMHTLOQKG-UHFFFAOYSA-N 265.276 1.915 0 50 CDAA CN(CC(=O)NCc1ccc(C(=O)O)cc1)C1CCCC1 426389874 QNHPEJTZCAZPTC-UHFFFAOYSA-N 290.363 1.875 0 50 CDAA OCCO[C@H]1C[C@@H](O)C12CCN(Cc1ccoc1)CC2 91746357 AGGNUDVXVJOLQQ-KGLIPLIRSA-N 281.352 1.004 0 50 CDAA CC(C)NC(=O)CNC(=O)[C@@H]1CCOc2ccccc2C1 95508648 NMBCGFPDRQQUMV-CYBMUJFWSA-N 290.363 1.269 0 50 CDAA CCc1nc(N2CCC3(CC2)OCCC[C@@H]3O)ncc1C 91737761 HHPFSLFXXMHYCQ-AWEZNQCLSA-N 291.395 1.858 0 50 CDAA CC(C)[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1N(C)C 95508802 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270.235 1.792 0 50 CDAA CCCOc1cccc(NC(=O)[C@@]2(N)CC[C@@H](O)C2)c1 952884249 RPOJIQADDSFYRL-IUODEOHRSA-N 278.352 1.656 0 50 CDAA O=C(NCC1CCN(C[C@H]2CCOC2)CC1)c1ccoc1 952984627 PZDVRKALAPWCBT-CQSZACIVSA-N 292.379 1.758 0 50 CDAA Cn1cnc2c1CCN[C@]21CCN(C(=O)OC(C)(C)C)C1 1772717457 DEYBUESKVAWLGW-HNNXBMFYSA-N 292.383 1.402 0 50 CDAA Cn1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)n1 1775989185 GEXGFZNCAPEUPI-UHFFFAOYSA-N 271.320 1.926 0 50 CDAA Cc1nnc(N2C[C@@H](O)[C@H](Cc3ccccc3)C2)o1 897338214 JYUGQKWBZUFIRY-CHWSQXEVSA-N 259.309 1.418 0 50 CDAA CCn1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)n1 249680000 ABXPPRAPQYPCGK-FSZOTQKASA-N 275.308 1.364 0 50 CDAA OCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 19606790 FKKUSABLFDJVKR-UHFFFAOYSA-N 288.313 1.815 0 50 CDAA Cc1nnc([C@H]2COCCN2C(=O)c2cscc2C)o1 275427615 RNPADBGEPCMNIO-LLVKDONJSA-N 293.348 1.962 0 50 CDAA CC1CCC(NC(=O)[C@@H]2CCCCC(=O)N2)CC1 170618068 JESZUPQMZQQFCC-MCIGGMRASA-N 252.358 1.740 0 50 CDAA CC1(S(=O)(=O)NCCC[C@H]2CCCC[C@@H]2O)CC1 408458696 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1.376 0 50 CDAA in-vitro Cn1cncc1CC(=O)N[C@H]1COc2cccc(Cl)c21 1615580530 OVIMDOYMKOEEDR-NSHDSACASA-N 291.738 1.866 0 50 CDAA COCc1nocc1C(=O)NC1CCC2(CC1)C[C@H]2N 1615545418 HHHQBDUAFQCJOB-VTGPFMDVSA-N 279.340 1.211 0 50 CDAA CN1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1CO 215065468 ILQKVDRJXPZOOJ-GFCCVEGCSA-N 288.313 1.814 0 50 CDAA O=C(C[C@@H]1CCCNC1)N[C@H]1C[C@H](O)c2ccccc21 852853964 APOCKKXAFFKAHS-CQDKDKBSSA-N 274.364 1.671 0 50 CDAA Cn1c(S)nnc1-c1cncc(Br)c1 13733582 HYGXDHIAYXDXPI-UHFFFAOYSA-N 271.143 1.928 0 50 CDAA CCCc1cc(=O)[nH]c(N2CCN(c3ccccn3)CC2)n1 18149012 AIHALQWDYIPPTK-UHFFFAOYSA-N 299.378 1.444 0 50 CDAA CN1C(=O)/C(=C\C=C2/SCCN2C)OC1=S 19909081 ATNVRFYYFGXEIH-JHYGWMECSA-N 256.352 1.164 0 50 CDAA OC[C@]12COCC[C@H]1CN(Cc1ccc3c(c1)CCO3)C2 1857668755 JQDHNJADWFETBD-DOTOQJQBSA-N 289.375 1.452 0 50 CDAA Cc1cn2cccc(C(=O)N3C[C@@H]4CCN[C@@H]4C3)c2n1 1857683937 RRNUSCRMCSUGPD-WCQYABFASA-N 270.336 1.077 0 50 CDAA O=C(/C=C/c1ccccc1)N1C[C@@H]2CCOC[C@]2(CO)C1 1857690055 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CDAA Cc1ccc(C(=O)Nc2c(-n3ccnc3)n[nH]c2N)cc1 2050024841 CRLCJEYMZNUJQG-UHFFFAOYSA-N 282.307 1.738 0 50 CDAA CC(C)(C(=O)NO[C@@H]1CCOC1)C1=CCSCC1 2325797425 SPFRSYDIHCKYGB-LLVKDONJSA-N 271.382 1.913 0 50 CDAA COC(=O)c1ccc(N2CC[C@](C)(O)C2)nc1C 218057314 FZOXHTXJPUANPY-ZDUSSCGKSA-N 250.298 1.138 0 50 CDAA NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccc(Cl)cn1 245338894 PCOCRTVJGZNSQU-LDDIKCJXSA-N 293.754 1.365 0 50 CDAA O=C(NC(=S)NCc1cccnc1)c1ccccc1 71291 OOFXUWVGDFPSMO-UHFFFAOYSA-N 271.345 1.886 0 50 CDAA Cc1nn(CC(=O)Nc2ccccn2)c(=O)c2ccccc12 85172 QKNNREXRHLTDJI-UHFFFAOYSA-N 294.314 1.739 0 50 CDAA CN(C)CCNC(=O)c1scc2c1CCCC2 119128 WUIJZZKPGZRPHX-UHFFFAOYSA-N 252.383 1.918 0 50 CDAA O=C(O)[C@@H]1CCCN(c2ncc(Br)cn2)C1 154082 UTUXFIHDAKRGAT-SSDOTTSWSA-N 286.129 1.540 0 50 CDAA C[C@@H]1CCCCN1C(=O)CN1C(=O)c2ccccc2C1=O 372676 KSVPKJBPHBACRI-LLVKDONJSA-N 286.331 1.684 0 50 CDAA Cc1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1Cl 540723 VWESHPGKQNJWKQ-NSHDSACASA-N 281.743 1.065 0 50 CDAA 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CCO[C@H]1COC[C@@H]1n1cnc2c(C)c(C)ccc2c1=O 584899709 QVJKRFXYQBWCGK-KBPBESRZSA-N 288.347 1.990 0 50 CDAA C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1cnnn1C 585134843 LVTGDIZJMGHJQX-JSGCOSHPSA-N 289.383 1.896 0 50 CDAA COCCC1CCN(C(=O)c2c(C)ncn2C)CC1 584900333 UYXRDCGLXSQGKC-UHFFFAOYSA-N 265.357 1.617 0 50 CDAA COc1cc(C(=O)NCCc2noc(C(C)C)n2)ccn1 670453205 AVAWSNRXDASKQP-UHFFFAOYSA-N 290.323 1.569 0 50 CDAA Cc1[nH]nc(C(=O)NC2(C(N)=O)CCCCC2)c1Cl 584885746 JWOXVZHBGZUPDB-UHFFFAOYSA-N 284.747 1.290 0 50 CDAA Cc1csc([C@@H](C)NC(=O)c2cncc(=O)[nH]2)n1 584902552 ZHXGOQQAGONYMA-SSDOTTSWSA-N 264.310 1.026 0 50 CDAA CN(C)C1CCN(C(=O)c2cccc3c2CCC3=O)CC1 584885892 RSYWWKLDMNEPBQ-UHFFFAOYSA-N 286.375 1.982 0 50 CDAA CCc1nc(CN(C)C(=O)CCCn2cccn2)no1 584900685 LDALOIMXKRGAHN-UHFFFAOYSA-N 277.328 1.267 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)C=C(C2CC2)C2CC2)CCO1 269021283 IJWAPSFKOOTAJD-LBPRGKRZSA-N 279.336 1.435 0 50 CDAA COc1cc2c(cc1CN(C)C[C@H]1CCOC1)OCCO2 670470899 UCZHAIRYTSLUOP-GFCCVEGCSA-N 293.363 1.935 0 50 CDAA NC(=O)c1ccc(N2CC=C(C(F)(F)F)CC2)nn1 270219144 MSTCPSIHKJZXPT-UHFFFAOYSA-N 272.230 1.274 0 50 CDAA CCc1cccnc1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 270917880 DVEYXFVIXAHWNH-LBPRGKRZSA-N 289.379 1.773 0 50 CDAA C[C@@H](NC(=O)c1ccc2nccn2c1)C1CCNCC1 868002534 VJMNVOABLFJCAU-LLVKDONJSA-N 272.352 1.452 0 50 CDAA CCn1nc2c(c1C(=O)NC1COC1)C[C@H](C)O[C@@H]2C 1875314365 UROYVHGLBJYSJC-DTWKUNHWSA-N 279.340 1.054 0 50 CDAA O=C(Nc1cccc(F)c1F)C(=O)N1CC(CCF)C1 1875300590 JMUBGUOAFRADPP-UHFFFAOYSA-N 286.253 1.721 0 50 CDAA C[C@@H](NC(=O)c1coc(C2CCC2)n1)c1nn(C)cc1O 1456785491 KYFUOQULCBLFJF-MRVPVSSYSA-N 290.323 1.872 0 50 CDAA CCCC[C@H](NC(=O)c1c(C)cccc1OC)C(N)=O 952970968 DYVZQYLAESQREW-NSHDSACASA-N 278.352 1.778 0 50 CDAA Cc1cc(OC(F)F)c(C(=O)N2CC(C)(N)C2)s1 888096568 KGBBOZVMUBNAFG-UHFFFAOYSA-N 276.308 1.831 0 50 CDAA CC[C@@H](NC(=O)CC1CC(=O)NC(=O)C1)C1CCCCC1 1776006790 VSTFMEVPMFYKCQ-CYBMUJFWSA-N 294.395 1.904 0 50 CDAA CCn1cnc(/C=C/c2ncc(C(=O)NC)s2)c1 899351582 OGAVDIASYFIKDP-SNAWJCMRSA-N 262.338 1.890 0 50 CDAA CN(C)C(=O)c1ccc(NCCn2cccc2)nc1 1156300057 OIWLDKHWMCYWAR-UHFFFAOYSA-N 258.325 1.697 0 50 CDAA CN(C)S(=O)(=O)c1ccc(C=O)c(Br)c1 1535421276 WRGGLDXEXXCLFR-UHFFFAOYSA-N 292.154 1.512 0 50 CDAA C[C@@H]1CN(c2ncnc3[nH]ccc23)CCN1CC(C)(C)O 275512613 MOHNSODDWBINIO-LLVKDONJSA-N 289.383 1.239 0 50 CDAA CC[C@@H](NC(=O)c1cnn(C(C)C)c1)[C@H](O)C(F)(F)F 276139318 CDXFWWTUSQSBJL-ZJUUUORDSA-N 293.289 1.896 0 50 CDAA C[C@@H](CN(C)CCCc1ccccc1)S(C)(=O)=O 408519539 PXLZPSHUNVGPHW-ZDUSSCGKSA-N 269.410 1.984 0 50 CDAA Cn1cc([C@@H]2OCC[C@H]2CNC(=O)c2cccn2C)cn1 412648432 ALXNLOUAOCVSLC-SMDDNHRTSA-N 288.351 1.266 0 50 CDAA CC(C)c1[nH]ncc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 225475211 REJGDCJQRZTPRG-STQMWFEESA-N 292.383 1.078 0 50 CDAA COc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)O 188277783 HEVJIHLOFXFTIX-SFYZADRCSA-N 283.711 1.686 0 50 CDAA Cc1n[nH]c2ncc(NC(=O)c3cn(C(C)(C)C)nn3)cc12 190089620 NNXBUODBXBMTEM-UHFFFAOYSA-N 299.338 1.865 0 50 CDAA Cn1cc(C(=O)N2CC3(CCOCC3)C2)c(C(C)(C)C)n1 647616400 OVHKKUMNCGAVBW-UHFFFAOYSA-N 291.395 1.970 0 50 CDAA Cc1ccoc1C(=O)N1CCOC[C@@]12CCOC2 194430100 MXLGYTDWOXHSBB-ZDUSSCGKSA-N 251.282 1.220 0 50 CDAA C[C@H](O)C1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1 195543395 LNVOSNSYMLUQSS-LRDDRELGSA-N 288.391 1.493 0 50 CDAA COc1cc(C(=O)N2CC[C@@H](OC(C)C)C2)nn1C 568887204 YQMMYMFCKJOJPW-SNVBAGLBSA-N 267.329 1.068 0 50 CDAA Cc1ncc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)[nH]1 663146380 CIVUWZWVZUQDGB-CYBMUJFWSA-N 285.303 1.542 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 668271946 SQHFDWPCXPPQKE-XQQFMLRXSA-N 299.367 1.284 0 50 CDAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CCC[C@@H]2C[C@H]21 585082961 NPXYFLXIPJNQOY-ZYHUDNBSSA-N 258.325 1.792 0 50 CDAA CN(CC1(CO)CCCC1)c1cc(C(N)=O)ccn1 1506431581 PTBOOUFSYUKXKE-UHFFFAOYSA-N 263.341 1.169 0 50 CDAA CC(C)Oc1cc(N(C)CCCn2cccn2)nc(N)n1 1506415863 QLBSLJJGWVAURN-UHFFFAOYSA-N 290.371 1.569 0 50 CDAA CNC(=O)C[C@@H]1CCN(c2ccc(C(C)C)nn2)C1 1506415745 CBXVZLKUBROTBR-NSHDSACASA-N 262.357 1.562 0 50 CDAA O=C(O)[C@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1C1CC1 216479599 CFUKWXQAVNXLOJ-KGLIPLIRSA-N 288.347 1.583 0 50 CDAA CCCc1cc(C(=O)N2C[C@H]3CCCN[C@H]3C2)n(C)n1 219618163 FZGQPXRQKDSHEO-YPMHNXCESA-N 276.384 1.197 0 50 CDAA Cc1ccc(S(=O)(=O)NCCCC(=O)O)cc1 2030895 QCMWSRRLJGMSQP-UHFFFAOYSA-N 257.311 1.138 0 50 CDAA in-vitro Cc1nonc1CNC(=O)c1ccc(Cl)cn1 736142758 PIOGQEGNVRMJGX-UHFFFAOYSA-N 252.661 1.356 0 50 CDAA CCc1cnc(C)nc1N1CCC[C@H](c2nc[nH]n2)C1 1704306220 STISNKIAOMSEMF-LBPRGKRZSA-N 272.356 1.850 0 50 CDAA CN(C)CCN(Cc1cnc[nH]1)C(=O)c1ccc(Cl)o1 1704310750 SAPZDULUYXZKQH-UHFFFAOYSA-N 296.758 1.860 0 50 CDAA Cc1nsnc1C(=O)N1CCC(C2CCNCC2)CC1 1857729791 SPWWBFSJHCJVRM-UHFFFAOYSA-N 294.424 1.698 0 50 CDAA CCn1ccnc1CN(C)c1ncc(C(C)=O)c(C)n1 1772702919 VYKWMVNQJDFYOL-UHFFFAOYSA-N 273.340 1.840 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2onc3ncccc23)n[nH]1 1775981029 GSYPRFRRVHKKOI-MRVPVSSYSA-N 285.307 1.615 0 50 CDAA Cc1ccc(NC(=O)NS(=O)(=O)N2CCCCC2)nc1 15782082 UIJLYUIPNZOTLC-UHFFFAOYSA-N 298.368 1.242 0 50 CDAA CNS(=O)(=O)Cc1ccc(Br)cc1 16577812 ZLCWARAJXKGTGZ-UHFFFAOYSA-N 264.144 1.498 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 18179546 LUZTXPDVLZQZLJ-AOOOYVTPSA-N 271.272 1.840 0 50 CDAA CCCNC(=O)c1cc2c(=O)[nH]c(-c3ccccc3)cn2n1 169768511 RWHKZSLSLMLEHF-UHFFFAOYSA-N 296.330 1.829 0 50 CDAA COc1cc(OC)nc(-c2ccc3[nH]cnc(=O)c3c2)n1 200496280 NOXKLGXCNYHIBB-UHFFFAOYSA-N 284.275 1.397 0 50 CDAA O=C(NCCN1C[C@@H]2CCCCN2C1=O)N1CCCCC1 853860978 QNANWTZETKSJBD-ZDUSSCGKSA-N 294.399 1.472 0 50 CDAA Cc1nc(N2C[C@@H]3CCOC[C@]3(CO)C2)nc2c1CCC2 1857668742 CGXHTQMYEFSDFP-BLLLJJGKSA-N 289.379 1.109 0 50 CDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C2(C)CC2)C1 408152535 BDKVIFDLYDIITG-NSHDSACASA-N 290.367 1.874 0 50 CDAA CC(C)(C(=O)N1CCO[C@@H](C(=O)O)C1)c1ccc(F)cc1 236691956 PANCBAMCBDLAES-GFCCVEGCSA-N 295.310 1.415 0 50 CDAA C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CN)C1 237556753 XCLYUVHVRWOJHI-KBPBESRZSA-N 289.423 1.739 0 50 CDAA O=C(O)[C@@H](NS(=O)(=O)c1cc2ccccc2o1)C1CC1 547612863 WWUUIHISQZVUMM-LBPRGKRZSA-N 295.316 1.574 0 50 CDAA Cc1noc(C)c1CCCNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 846705552 GKWPWQKIQRJVOG-NEPJUHHUSA-N 294.351 1.841 0 50 CDAA O=C(Nc1ccnc2ccnn12)N1CCC[C@H](CCO)C1 934992445 JYVGRHCRBSXXGD-LLVKDONJSA-N 289.339 1.356 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccc(C(=O)O)cc1 236851340 NZFMSDBNQRQWNI-QWHCGFSZSA-N 277.320 1.768 0 50 CDAA Cn1cncc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 261646464 OEHNSYYUQRIITB-MXWKQRLJSA-N 277.324 1.278 0 50 CDAA Cc1noc([C@@H]2CCCN(Cc3cnns3)C2)n1 289507613 DZZFMBUEPVSITK-SECBINFHSA-N 265.342 1.609 0 50 CDAA C[C@@](O)(CN1CCC[C@@H](N2CCOCC2)C1)C(F)(F)F 328596636 KAJZECMYUGMZBW-VXGBXAGGSA-N 296.333 1.096 0 50 CDAA C[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)[C@@H]1C(=O)O 336231229 MSODYLQFHKHMHY-APPZFPTMSA-N 261.268 1.743 0 50 CDAA CC(C)(CC(=O)Nc1cnn(CC(=O)O)c1)C(F)(F)F 647744219 YYISRMPHUWXPKE-UHFFFAOYSA-N 293.245 1.885 0 50 CDAA CCCC1CCN(C(=O)N2CCN(C)CC2)CC1 96027448 PMEBAMQFBOKGSU-UHFFFAOYSA-N 253.390 1.866 0 50 CDAA Cc1ncnc(C)c1C(=O)N1CC[C@@H](O)CC(C)(C)C1 670441992 UTSNNEMDPOPUQH-GFCCVEGCSA-N 277.368 1.717 0 50 CDAA Cc1ccc(C(=O)N(CCC(=O)O)CC2CC2)o1 675972646 WTPVWGFDRNCADW-UHFFFAOYSA-N 251.282 1.915 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)O)C2)cc1 676869091 WFZSAMLIAUPCKH-QWHCGFSZSA-N 283.393 1.777 0 50 CDAA COCC(COC)n1ncc2cccc(Cl)c2c1=O 899357970 PKOOSAOVJBDUNQ-UHFFFAOYSA-N 282.727 1.884 0 50 CDAA Cc1cc(CN(C)c2ncc3c(ncn3C)n2)on1 2100556892 USFONPDAARCBAY-UHFFFAOYSA-N 258.285 1.296 0 50 CDAA COC(=O)c1ccc(O)c(NC(=O)c2ccccn2)c1 436505329 NNKKLROTUODCSL-UHFFFAOYSA-N 272.260 1.826 0 50 CDAA O=C(CC1C[C@@H]2C[C@H]2C1)Nc1n[nH]c2c1COCC2 2325781062 HPURSPGEBJMSKG-NXEZZACHSA-N 261.325 1.857 0 50 CDAA CC(=O)[C@H](C)CCCC[C@H](O)[C@H]1C[C@@H](CO)OC1=O 2332925154 XFGZDPJDNPPLBV-MGAJPHDKSA-N 272.341 1.057 0 50 CDAA O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccco1 47737 KUORBDDPTIGWNG-UHFFFAOYSA-N 298.298 1.582 0 50 CDAA O=C(c1ccccc1)N1[C@@H](O)CC[C@@]12CSCC2=O 228983 CSZSRTHSTXUTBK-JSGCOSHPSA-N 277.345 1.296 0 50 CDAA biogenic Cc1ccc(SCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 468021 CYPHXTNSYRAESL-UHFFFAOYSA-N 291.332 1.102 0 50 CDAA Cc1ccc(NC(=O)CSc2nnnn2C)c(C)c1 616882 FZVWEZYHCHZQRM-UHFFFAOYSA-N 277.353 1.558 0 50 CDAA COc1ccc(F)cc1S(=O)(=O)NCc1ccco1 802692 NFSAVYXDXBDHER-UHFFFAOYSA-N 285.296 1.906 0 50 CDAA CNc1nccnc1-c1cc2c(cc1OC)OCO2 2356147294 PVVQNKBCEJCJGD-UHFFFAOYSA-N 259.265 1.923 0 50 CDAA NCCS[C@H]1CC(=O)N(c2cccc(F)c2)C1=O 2727639 CMOPJIJUGAPTQO-JTQLQIEISA-N 268.313 1.150 0 50 CDAA COc1cc2c(cc1-c1nc(=N)nc3[nH][nH]cc1-3)OCO2 2356166836 BJDANAMFCUAYOW-UHFFFAOYSA-N 285.263 1.121 0 50 CDAA O=C(O)C1=NN(c2nc3ccccc3[nH]2)C(=O)CC1 3886058 DUGCHUBWLUWFQS-UHFFFAOYSA-N 258.237 1.130 0 50 CDAA CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)O 4977685 CEIWXEQZZZHLDM-DGCLKSJQSA-N 279.336 1.614 0 50 CDAA in-vitro CCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O 8582560 RZPFHRZHWJQMTE-UHFFFAOYSA-N 272.304 1.851 0 50 CDAA O=C1N[C@]2(Nc3ccccc31)C(=O)Nc1ccccc12 8739328 BMSQIJFIMYFICP-HNNXBMFYSA-N 265.272 1.647 0 50 CDAA biogenic Cc1ccoc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 112034047 HTFWRFMOABCBRB-QMMMGPOBSA-N 290.241 1.481 0 50 CDAA O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)[C@H]3OC[C@@H](O3)[C@H]12 113669527 XLWJCKJOMYVUEB-QEGBUVANSA-N 262.236 1.195 0 50 CDAA CN(C)[C@H]1CCN(Cc2nc(Cc3ccsc3)no2)C1 20868061 HAQKUYRWGWKALR-LBPRGKRZSA-N 292.408 1.858 0 50 CDAA CSc1ncccc1C(=O)N1[C@H]2CC[C@@H]1CCNC2 65407904 VYDQOJHVHSMNEQ-MNOVXSKESA-N 277.393 1.770 0 50 CDAA c1cncc([C@H](CN2CCSCC2)N2CCOCC2)c1 20118214 DHMNSCKKNAJGGA-HNNXBMFYSA-N 293.436 1.504 0 50 CDAA O[C@H]1CCN(c2ccc(-c3nc(C4CC4)no3)cn2)C1 20774060 NGSKOUMMAJSNPT-NSHDSACASA-N 272.308 1.580 0 50 CDAA Cn1ccnc1C[C@@H]1CCCN(C(=O)COCC2CC2)C1 119825742 AURPYXFSPALPJD-AWEZNQCLSA-N 291.395 1.628 0 50 CDAA O=C(O)CC[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O 170622861 CTSOOJIRMDKVSL-SNVBAGLBSA-N 296.710 1.625 0 50 CDAA CCC1(O)CCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)CC1 330889337 GUHWRAYWZYXTAU-OLZOCXBDSA-N 285.384 1.334 0 50 CDAA Cc1cc(C)nc(NCCc2cc(=O)[nH]c(C)n2)n1 65380344 PEJKHFHQBFBBMX-UHFFFAOYSA-N 259.313 1.140 0 50 CDAA COc1cccc2c(C(=O)N3CC(O)(C(F)F)C3)n[nH]c12 425023355 ZKVSVKZVENLDFX-UHFFFAOYSA-N 297.261 1.024 0 50 CDAA CC[C@@H](C)n1c(=O)[nH]c(C)c(Br)c1=O 178090 CTSLUCNDVMMDHG-RXMQYKEDSA-N 261.119 1.579 0 50 CDAA biogenic,in-vitro CCOCCN1C[C@@H](O)C[C@H]1c1cccc(OC)c1 282424894 YVKDDKHNXUCOGC-ZFWWWQNUSA-N 265.353 1.839 0 50 CDAA NC(=O)c1ccnc(-c2ccc3c(c2)OCCO3)c1 32508969 JNPIHBDNROFPJI-UHFFFAOYSA-N 256.261 1.619 0 50 CDAA C=CC(=O)N(C)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 328599911 UIPBXZVHXQIIIC-GFCCVEGCSA-N 290.367 1.556 0 50 CDAA CC(=O)c1ccc(C(=O)NCCc2ccnn2C)s1 215783573 VYOUJTZEHWOIEU-UHFFFAOYSA-N 277.349 1.657 0 50 CDAA Cc1c(C(=O)N(CCCO)Cc2ccncc2)cnn1C 215584668 AZSLIESYJIQKAN-UHFFFAOYSA-N 288.351 1.148 0 50 CDAA C[C@@H](C(=O)N1CCOC2(CCCCC2)C1)N1CCOCC1 359597460 PMXCRNCBIVJXPQ-AWEZNQCLSA-N 296.411 1.269 0 50 CDAA CSCC[C@H](NC(C)=O)C(=O)N(C)Cc1cccnc1 215303345 ZPDAJIKDJJTQRA-ZDUSSCGKSA-N 295.408 1.298 0 50 CDAA CN(C)S(=O)(=O)c1cncc(Br)c1 38537115 UHJBBAOJADKLCO-UHFFFAOYSA-N 265.132 1.094 0 50 CDAA CCOc1cc(C(=O)N2CCN[C@@H](C)C2)ccc1C 155090159 RJVXGGOWALNLDU-LBPRGKRZSA-N 262.353 1.828 0 50 CDAA O=C(N[C@@H]1CC[S@@](=O)C1)N[C@@H]1CCCc2sccc21 332917032 XDLBNLZUPDOKAU-YRBGZSCZSA-N 298.433 1.946 0 50 CDAA CCN(CCn1cccn1)C(=O)c1cnn(C(C)C)c1 77288141 KOYDJWQRUWTGPV-UHFFFAOYSA-N 275.356 1.823 0 50 CDAA CCNc1nc(C)cc(N2CCC[C@@H](CO)C2)n1 129754941 XINSITNZCNLXPO-LLVKDONJSA-N 250.346 1.426 0 50 CDAA Nc1cc(Br)cnc1N1CCOCC1 38534056 BOWIGXGIQUXHAR-UHFFFAOYSA-N 258.119 1.263 0 50 CDAA in-vitro C[C@@H]1CC(=O)NCCN1C(=O)CCCC1CCOCC1 369054534 LSMNDUXYNHPUAV-GFCCVEGCSA-N 282.384 1.320 0 50 CDAA Cc1nc2ccnn2cc1C(=O)N1CCOCC12CCC2 333575806 QMKHECJJVIVYPD-UHFFFAOYSA-N 286.335 1.433 0 50 CDAA O[C@@]1(Cn2ccnn2)CCCN(c2nc3ccccc3[nH]2)C1 284754140 ODPHKNVPCQFZIS-HNNXBMFYSA-N 298.350 1.186 0 50 CDAA CC1=NO[C@H](C(=O)NCc2cnn3ccccc23)C1 72126520 NZIBYMTUPWNGKO-LBPRGKRZSA-N 258.281 1.115 0 50 CDAA COc1c(C)cc(C(=O)N2CCC[C@](O)(CO)C2)cc1C 72153751 FZHRVPVGNDGZGD-MRXNPFEDSA-N 293.363 1.271 0 50 CDAA C[C@H]1CN(Cc2cccc(Cl)c2)[C@@H](CO)CN1 72233497 HWLQHMHFYPQFJO-GXFFZTMASA-N 254.761 1.495 0 50 CDAA NC[C@H]1CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 238049932 IKSCGTWUIKLIEA-OAHLLOKOSA-N 284.363 1.495 0 50 CDAA C[C@H]1C(=O)N(c2cccc(-c3cc[nH]n3)c2)C(=O)N1C 335950980 VAERTVRDUJQYNQ-VIFPVBQESA-N 270.292 1.864 0 50 CDAA Cc1cc(=O)cc(C(=O)NCCCNc2cccnc2)o1 221368281 XVQYIVUWWQFPEP-UHFFFAOYSA-N 287.319 1.575 0 50 CDAA CN(C)c1ncc(NC(=O)N[C@]23C[C@H]2COC3(C)C)cn1 529030065 NNILDBXNFHNVLB-LKFCYVNXSA-N 291.355 1.232 0 50 CDAA O=C(NC1(CF)CCOCC1)c1cnnc2ccccc12 529446726 VISFMWGGOIOUCJ-UHFFFAOYSA-N 289.310 1.878 0 50 CDAA O=C(N[C@@H]1C[C@@H]2OCC[C@@H]21)c1ccc2c(c1)CCO2 220157414 FTPOENCOQMVDAT-BZPMIXESSA-N 259.305 1.529 0 50 CDAA COc1cc(C(=O)NCCN2CCCC2=O)ccc1F 223942101 PTVIDGWFJTUDQB-UHFFFAOYSA-N 280.299 1.187 0 50 CDAA CCCN(CCO)c1cc([C@H]2CCOC2)ncn1 426383026 DWHJZFNDEBLLIL-NSHDSACASA-N 251.330 1.189 0 50 CDAA COC1CCN(C(=O)c2ccccc2-n2cnnc2)CC1 426534039 KDKIIWODVOHGHU-UHFFFAOYSA-N 286.335 1.518 0 50 CDAA C[C@H](C1CCN(c2cccc(C(=O)O)n2)CC1)N(C)C 96135677 WBNYTQOSOBDERO-LLVKDONJSA-N 277.368 1.946 0 50 CDAA Cc1c(Cl)cccc1CNC(=O)C1(O)CCN(C)CC1 97713621 NQODXUFXAJLVOE-UHFFFAOYSA-N 296.798 1.721 0 50 CDAA CC1(C)CN(Cc2cccc(C(=O)O)n2)CCO1 97641825 XYPUGYJOAAMSRA-UHFFFAOYSA-N 250.298 1.391 0 50 CDAA NC(=O)C[C@H]1CCCCN1C(=O)NCCc1ccccn1 426535598 BYLYEUPXOIADCN-CYBMUJFWSA-N 290.367 1.064 0 50 CDAA CCCc1nnc(N2CCC(OCCN(C)C)CC2)o1 95388288 KPJJXSUSRIIKGS-UHFFFAOYSA-N 282.388 1.569 0 50 CDAA CC(=O)c1cc(CN2CCN([C@@H]3CCNC3)CC2)cs1 97772878 XFDKZXFELQQTOV-CQSZACIVSA-N 293.436 1.430 0 50 CDAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCOCC1 97729461 NFWAVUGBXXVZDW-CQSZACIVSA-N 275.352 1.077 0 50 CDAA CCc1c(C)nc(N)nc1NCCc1nc(C)c[nH]1 91256054 MFYKCTRLDIYSIF-UHFFFAOYSA-N 260.345 1.616 0 50 CDAA CO[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCC(=O)O)cc1 621540422 XPNYNKHVUKFUEZ-CHWSQXEVSA-N 293.319 1.447 0 50 CDAA Cc1nnc(CN2CCC(N3CCC[C@H](CO)C3)CC2)o1 230589280 PCSSFLKPMQDZGR-ZDUSSCGKSA-N 294.399 1.047 0 50 CDAA OC1(c2ccccc2)CCN(CCn2cncn2)CC1 244719251 LZSHIFRMYVBJMV-UHFFFAOYSA-N 272.352 1.262 0 50 CDAA CCc1nc(CN(C)CCc2scnc2C)n[nH]1 244594063 DFSIMBJIPNUBCP-UHFFFAOYSA-N 265.386 1.807 0 50 CDAA Cc1cc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)on1 253600214 JVLBLUZEMNRUOY-MVWJERBFSA-N 264.325 1.869 0 50 CDAA C[C@@]1(C(Cl)(Cl)Cl)[C@@H]2O[C@@H]2C(=O)[C@@H]2O[C@H]21 254292193 OUEPOVKTGJITIL-IECVIRLLSA-N 257.500 1.480 0 50 CDAA Cc1cnn(CCC(=O)N[C@H](C)c2nc(C3CC3)no2)c1 534644814 MJPNKWYWBJRXOE-SNVBAGLBSA-N 289.339 1.719 0 50 CDAA CC(C)[C@H](NC(=O)CCCn1cnnn1)c1cccnc1 534588229 YLCPZUPXSSHORC-AWEZNQCLSA-N 288.355 1.362 0 50 CDAA O=C(NCC1(COc2ccccc2)CC1)c1cc[nH]n1 534585977 WLBNVPJZCFAYCY-UHFFFAOYSA-N 271.320 1.999 0 50 CDAA COc1ccc(-c2cc(=N)[nH]c(N(C)C)n2)c(C)c1 534592821 KVCSAPHJRCSACA-UHFFFAOYSA-N 258.325 1.939 0 50 CDAA O=C(NCCn1cncn1)N1CCCCCCC1 263823325 KUGWKCPCCPPFSE-UHFFFAOYSA-N 251.334 1.254 0 50 CDAA COc1ccc(NC(=O)NC2CCC2)cc1C(N)=O 299782874 GLRCEGYMRPQOPL-UHFFFAOYSA-N 263.297 1.468 0 50 CDAA c1cc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)ccn1 299779892 QPVYWHDBOZJMEN-STQMWFEESA-N 257.297 1.023 0 50 CDAA COCCn1cnnc1[C@@H](C)NC(=O)c1oc(C)nc1C 824466547 VHDRCPYWTHWKHP-SECBINFHSA-N 293.327 1.020 0 50 CDAA CC(C)CC1(CNC(=O)CN2CC[C@@H](N(C)C)C2)CCC1 821011648 HMECZYAKBVGDOG-OAHLLOKOSA-N 295.471 1.955 0 50 CDAA Cc1noc(C)c1CCCNC(=O)[C@H](C)Cn1cncn1 820632005 OUVQJGKWBSBHOY-SNVBAGLBSA-N 291.355 1.268 0 50 CDAA CCn1cnnc1[C@@H](C)NC(=O)CCc1ccncc1 584892786 JAFLQZYMTSVYSN-LLVKDONJSA-N 273.340 1.503 0 50 CDAA CO[C@@H]1CCN(S(=O)(=O)c2cccc3nsnc23)C1 670462591 UZHAAPRBGYPENS-MRVPVSSYSA-N 299.377 1.101 0 50 CDAA C[C@H](CN1CCN(C)CC1)N1CCC2(CCCC2)C1 670471043 HDHQZPCYPJBNBZ-OAHLLOKOSA-N 265.445 1.888 0 50 CDAA CCCN1CC[C@@H](NC(=O)N(CC)CCn2cccn2)C1 670471422 RULJBCOFEHEAOH-CQSZACIVSA-N 293.415 1.399 0 50 CDAA CN1CCC[C@H]1C(=O)Nc1ccc2ncnc(O)c2c1 1875270476 HRPCBQTYQRWSRA-LBPRGKRZSA-N 272.308 1.368 0 50 CDAA O=C(NO[C@@H]1CCCCO1)Nc1ccnc(C2CC2)n1 1875271588 XEFKHNPFXILQFJ-LLVKDONJSA-N 278.312 1.934 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]32)C[C@H]1[C@@H]1CCOC1 1875311876 CUTULSCNOBUKDB-IZMFDJJNSA-N 293.363 1.228 0 50 CDAA O=C(c1cnc2[nH]ccc2n1)N1CCC[C@H]1c1ncccn1 1875310003 YDSUWTUMONNPJF-LBPRGKRZSA-N 294.318 1.725 0 50 CDAA CCn1ccnc1[C@H](C)NC(=O)c1cc(C(C)(C)N)n[nH]1 1875336789 HLMXCPVZGIGVNJ-VIFPVBQESA-N 290.371 1.311 0 50 CDAA Cc1cc(NC(=O)[C@@]2(C(=O)O)CCCO2)c(C)c(C)c1O 1875394082 ULTIFXTWQTWXTK-OAHLLOKOSA-N 293.319 1.890 0 50 CDAA O=C(c1cc2c(O)ncnc2cn1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 1875302140 BFMYEOZXKPHVTF-YFBYITSOSA-N 282.303 1.211 0 50 CDAA N[C@@H](CCC(F)(F)F)C1(O)C[C@@H]2CC[C@H](C1)N2 958528347 QCAGUUYJDOFLTB-GFMAATOTSA-N 252.280 1.302 0 50 CDAA CCCn1ncnc1-c1ccc(N2CC(=O)NC2=O)cc1 952873464 ZFUQQNCXMIXCFH-UHFFFAOYSA-N 285.307 1.411 0 50 CDAA CCN(CC)CC1(NC(=O)c2nccn2C)CC1 952972832 GVQCADKMUALONI-UHFFFAOYSA-N 250.346 1.024 0 50 CDAA CC[C@H]1C=CCN1S(=O)(=O)c1ccc(C(=O)NC)cc1 952985653 XGJZHEXETDWXIC-LBPRGKRZSA-N 294.376 1.385 0 50 CDAA O=C([C@H]1CCc2nncn2C1)N1CC(Cc2ccoc2)C1 890574590 PDGJAVDSSZNQMG-ZDUSSCGKSA-N 286.335 1.135 0 50 CDAA CCOC(=O)[C@H](NC(=O)[C@H](CC(C)(C)C)NC)C1CC1 1771753955 JAGPQTJJPXPUKN-NWDGAFQWSA-N 284.400 1.469 0 50 CDAA CO[C@H]1CCN(c2nc(Cl)nc(C(F)(F)F)c2N)C1 1775991430 LSQNORLKYFZYGI-YFKPBYRVSA-N 296.680 1.956 0 50 CDAA C[C@H](NC(=O)[C@@H]1Cc2ccc(F)cc21)c1nn(C)cc1O 1412772005 VIBXPRSWEQURSW-QPUJVOFHSA-N 289.310 1.782 0 50 CDAA O=C(NC[C@H]1CCNC[C@@H]1O)c1cc(F)ccc1Cl 1565525832 KWLSGNKEDNHKDU-PELKAZGASA-N 286.734 1.179 0 50 CDAA CCC[C@H]1CN(C(=O)CCc2cccnc2)C[C@@H]1C(=O)O 1565526586 TWARQTZSABXODL-KBPBESRZSA-N 290.363 1.974 0 50 CDAA N[C@H]1CCN(CCCC(=O)c2ccc(F)cc2)C[C@@H]1O 1565514143 GYANWKQJZXFHQD-ZFWWWQNUSA-N 280.343 1.183 0 50 CDAA O=C(Nc1ccc2ccccc2c1)N[C@H]1CNCC[C@@H]1O 1565529331 CLYHRRVWWXSBKS-GJZGRUSLSA-N 285.347 1.684 0 50 CDAA Cc1ccc(C(=O)N2CCN(Cc3cnnn3C)CC2)cc1 272605096 HQCMXUUVHCRCNG-UHFFFAOYSA-N 299.378 1.082 0 50 CDAA CNC(=O)[C@H]1CN(c2nc3cc(C)ccc3o2)CCO1 273201908 OHZNYJNECVFSJR-GFCCVEGCSA-N 275.308 1.087 0 50 CDAA CC(=O)N(C[C@H]1CCCN1C(=O)Nc1ccon1)C1CC1 275492403 ABXGARQSRZCMRG-GFCCVEGCSA-N 292.339 1.682 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cnn(C)c1C 275541869 MTIIOTVCQUFNTF-KBPBESRZSA-N 289.383 1.565 0 50 CDAA CCN1CC(=O)N(C[C@H](c2ccccc2)N(C)C)C1=O 170592396 IDOWCKFTBRATIE-CYBMUJFWSA-N 275.352 1.573 0 50 CDAA NC(=O)[C@@H](NC(=O)CCc1ccoc1)c1ccc(F)cc1 170596730 UTHYPZUAYWJELI-AWEZNQCLSA-N 290.294 1.694 0 50 CDAA COC(=O)c1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)no1 280813064 QUZTYGVAJGXNEP-GHMZBOCLSA-N 294.307 1.245 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccn[nH]2)CC1 187864178 MGCOIQLKXBMXKI-YPMHNXCESA-N 277.368 1.931 0 50 CDAA O=C(O)C[C@H]1CCCCN1C(=O)CCn1cccc1 679396361 HRSONTJVABSEPI-GFCCVEGCSA-N 264.325 1.734 0 50 CDAA Cc1nc2ccc(N(C)Cc3cnc(C(C)C)nc3)nn2n1 553559244 HOZNKSJXSBMBAM-UHFFFAOYSA-N 297.366 1.983 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CCCO[C@H]2C)n1C1CC1 408057402 UFKWTYKIBSODSV-KWQFWETISA-N 264.329 1.675 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc(O)n1 408470723 VKADDWNSHNVWMQ-MCIONIFRSA-N 290.363 1.861 0 50 CDAA C[C@H](C[S@](C)=O)NC(=O)N1CCSCC[C@H]1C 189904117 NXQDLSNTZFXWON-YHTYYEMMSA-N 278.443 1.290 0 50 CDAA C[C@H]1CN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC(=O)N1 412381646 UMRVWYASGWLHJE-GHJWDPDVSA-N 272.348 1.527 0 50 CDAA CCOc1cc(C)ccc1CNC(=O)[C@H]1C[C@H]1C(=O)O 192983147 CASVDKVHDKCTRG-NWDGAFQWSA-N 277.320 1.731 0 50 CDAA CNC(=O)C[C@H]1CCN(c2ccc(Cl)cn2)C1 1506413625 JUOURAWSYRGUKJ-SECBINFHSA-N 253.733 1.697 0 50 CDAA COc1nccnc1N(C)CC[C@H]1CCCCO1 1506399970 RYKWZJVDGUAHCN-LLVKDONJSA-N 251.330 1.881 0 50 CDAA CCOC[C@H]1CCCN1CC(=O)Nc1cn(C)nc1C 1506397467 RUTCGGQELRWJBJ-GFCCVEGCSA-N 280.372 1.168 0 50 CDAA CN1CC2(C1)CN([C@@H]1CCN(c3ccc(F)cc3)C1)C2 1857676270 NHTIENQYADRDTK-OAHLLOKOSA-N 275.371 1.652 0 50 CDAA CCNC(=O)[C@H]1CCN(c2ncc(Cl)cc2F)C1 1529167947 RYIGLJCKBYCGOK-QMMMGPOBSA-N 271.723 1.837 0 50 CDAA O=C(CSc1nnc(O)[nH]c1=O)c1ccc(Cl)cc1 40226 KJNXSVIODIZLFC-UHFFFAOYSA-N 297.723 1.499 0 50 CDAA Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O 36432 KECOIASOKMSRFT-UHFFFAOYSA-N 280.305 1.095 0 50 CDAA in-vitro Cc1ccc(COCCOCCOCCO)cc1 220873033 JBNRTMLHFABIJV-UHFFFAOYSA-N 254.326 1.537 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3c(C)noc3C)C[C@H]2O)on1 1704343316 WBYKTXXFMBVCSH-IUODEOHRSA-N 291.351 1.623 0 50 CDAA O=C(NC[C@@H]1CCCS1)c1ccc(C(=O)O)nc1 122172749 YTJQUZRHDFKRKL-VIFPVBQESA-N 266.322 1.405 0 50 CDAA CCC(NC(=O)[C@H]1CCS(=O)(=O)C1)(C1CC1)C1CC1 529794684 XDSMEKKNIBDSOI-JTQLQIEISA-N 285.409 1.506 0 50 CDAA O=C1O[C@@H](C(=O)O)Cc2c(F)cc(Br)cc21 125208648 OOVCJUCKJZICIE-MRVPVSSYSA-N 289.056 1.754 0 50 CDAA COC[C@H]1CCCCN1C(=O)Nc1ccnnc1 333906928 VKWUBRDFKWRFLJ-LLVKDONJSA-N 250.302 1.509 0 50 CDAA NC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2C(F)F)C1 334283001 YWDYKJMJIBIIKV-VHSXEESVSA-N 289.326 1.423 0 50 CDAA CN(Cc1nccn1C(F)F)C(=O)[C@H]1CCCCCN1 375842415 QLUVXJNYPYNJKW-SNVBAGLBSA-N 286.326 1.769 0 50 CDAA COCC[C@H](CO)NC(=O)C1(Cc2ccc(O)cc2)CC1 1615591484 XRCCPIOTKWPSCB-CYBMUJFWSA-N 293.363 1.229 0 50 CDAA Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccon2)on1 265752391 FQMMAQHCJKZSII-VIFPVBQESA-N 264.285 1.430 0 50 CDAA OC[C@H](O)C1CCN(c2noc(-c3ccccc3)n2)CC1 1772812125 AZDJEGPXOCRKCA-ZDUSSCGKSA-N 289.335 1.306 0 50 CDAA O=C(C[C@H]1Nc2ccccc2NC1=O)NC1CCCC1 5015901 UQUSNTOPYHLFJU-CYBMUJFWSA-N 273.336 1.868 0 50 CDAA Cc1cc(=O)n2nc(NCc3ccccc3)nc2[nH]1 18219885 WYKGSBSOUPEGGF-UHFFFAOYSA-N 255.281 1.338 0 50 CDAA C[C@H]1CN(Cc2ncc[nH]2)CCN1c1ccc(F)cn1 1857670936 IENDESCHKDSUET-NSHDSACASA-N 275.331 1.655 0 50 CDAA CN1C[C@H](Cn2ccnc2-c2ccccc2C(=O)O)CC1=O 1857701519 MHZYMBOFTKZXJT-LLVKDONJSA-N 299.330 1.727 0 50 CDAA C[C@@H]1CCNC(=O)[C@H]1NC(=O)CCc1cccc(Cl)c1 225658361 KIYZYHIHGCLFRT-YGRLFVJLSA-N 294.782 1.913 0 50 CDAA COc1ccc(CNC(=O)N2CCCOCC2)cc1O 332298630 GYVHUWIJGDHZDU-UHFFFAOYSA-N 280.324 1.333 0 50 CDAA Cc1cc(C[C@@H]2CN(c3nncc(C)c3C)C[C@@H]2O)n[nH]1 1875245232 QMHIHZAFYYBMPA-OCCSQVGLSA-N 287.367 1.165 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)CO[C@H]1CCC[C@@H](C)C1 408519194 QAECIQOSFMQBCA-RFGFWPKPSA-N 268.401 1.920 0 50 CDAA CCCc1ccc(C(=O)N=c2ccn(CC(=O)O)[nH]2)s1 630135632 QPEHLUQSLQDVFB-UHFFFAOYSA-N 293.348 1.656 0 50 CDAA C[C@H]1CCN(c2cc(N[C@H]3CCCOC3)ncn2)C1 328646142 SKGPUVFIBNXMAK-RYUDHWBXSA-N 262.357 1.914 0 50 CDAA CC1CCC(OCC(=O)Nc2cnn(CC(=N)O)c2)CC1 331026507 BMBAZRQXXROBKE-UHFFFAOYSA-N 294.355 1.952 0 50 CDAA CCc1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 8076088 CEIDQEDNHIITOC-UHFFFAOYSA-N 274.320 1.727 0 50 CDAA CCN1CC[C@@H](N(C)C(=O)c2ccc(CN)o2)[C@@H](C)C1 236903437 ZBDFHYKUTWZEFQ-WCQYABFASA-N 279.384 1.541 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)nn1C 136159750 IRFWOZMNWUIYGT-SNVBAGLBSA-N 279.340 1.480 0 50 CDAA C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@@H]1CCOC1 153638656 FJWXWWDZJNSSKS-CFVMTHIKSA-N 292.379 1.314 0 50 CDAA O=C(N[C@@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccco1 910621697 VKZZQOZRUOVCAA-OPASDULOSA-N 279.292 1.422 0 50 CDAA O[C@@H](CN1CCC[C@H]1c1nc[nH]n1)c1ccccc1 931136532 LUWLQOBLQFQFJW-STQMWFEESA-N 258.325 1.675 0 50 CDAA CC(C)(CO)ONC(=O)[C@]12CC[C@H](CC1=O)C2(C)C 1263835936 KXRWUAFQUZQEQU-OTYXRUKQSA-N 269.341 1.201 0 50 CDAA CC1(CNc2cccc(N3CCNC3=O)c2)COC1 227522059 VNVLQGNCVHUYRP-UHFFFAOYSA-N 261.325 1.665 0 50 CDAA O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CC(F)(F)C1 262727243 BCYFRSXEVRTYPI-LLVKDONJSA-N 283.274 1.844 0 50 CDAA CN(Cc1cnccn1)C(=O)c1ccc2[nH]nnc2c1 172155659 MOJMTLNMGCVCMX-UHFFFAOYSA-N 268.280 1.020 0 50 CDAA C[C@H](O)C[C@@H]1CCCCN1C(=O)Cc1cnn(C)c1 279764658 MFZYDZLNRFUWLS-AAEUAGOBSA-N 265.357 1.115 0 50 CDAA CN(CC(=O)NCc1cccs1)Cc1cscn1 49068944 SWDWMFMQTGFREQ-UHFFFAOYSA-N 281.406 1.953 0 50 CDAA O=S(=O)(CC1CCC1)N1CCNC[C@H]1c1ccccc1 313338468 JYIOWYHDUIMIGW-HNNXBMFYSA-N 294.420 1.763 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)N2CC[C@@H](F)C2)cc1F 414333175 WCTCZAFALWPWJX-SSDOTTSWSA-N 291.275 1.256 0 50 CDAA COC[C@]1(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CCNC1 333815006 JXVLRUSVEUBXBT-CTASWTNQSA-N 280.412 1.698 0 50 CDAA O=C(O)C[C@@H]1CCCN(C(=O)c2ccncc2F)CC1 585655522 GULIEOFNWDWERH-SNVBAGLBSA-N 280.299 1.938 0 50 CDAA COC(=O)[C@@H]1CN(c2ccc(OC)cc2)N=C1C(C)=O 66585 HGOODTPHWIFRCU-GFCCVEGCSA-N 276.292 1.249 0 50 CDAA CCN(CC)C(=O)Cn1nnc(-c2ccc(OC)cc2)n1 611907 XEINDBCXIXHECK-UHFFFAOYSA-N 289.339 1.217 0 50 CDAA CCn1ncnc1[C@H](C)Nc1ncc2ncn(C)c2n1 2100483771 NQLUQBCVGPMNHZ-QMMMGPOBSA-N 272.316 1.148 0 50 CDAA O=C1NC[C@H]2CN(C(=O)c3cc(-c4ccccc4)on3)C[C@@H]12 2100544596 AHTCNISHCRJKHW-NWDGAFQWSA-N 297.314 1.160 0 50 CDAA Cc1cc(=O)[nH]c2c1c(O)nn2[C@H]1CCOC(C)(C)C1 18054295 XFNGZQIQBRCVNO-VIFPVBQESA-N 277.324 1.869 0 50 CDAA O=C1C[C@@H](CC(=O)N[C@H]2C[C@H](CF)C2)CCCN1 2325786906 YGJVKSLQUYBJIL-DCAQKATOSA-N 256.321 1.157 0 50 CDAA CC(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1nn(C)cc1C 2325809880 WYTYFIIZHMMHJL-QKDCVEJESA-N 290.411 1.608 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2ccc(N)nn2)CC1 117734405 QBQVUQPRZYYTGL-UHFFFAOYSA-N 279.344 1.116 0 50 CDAA Cc1ccc(C[C@H]2C(=O)N(CC(=O)O)C(=O)[C@H]2C)cc1 203056 HDUBPAHYXQMZBB-CMPLNLGQSA-N 275.304 1.243 0 50 CDAA O=C(OCCn1cncn1)c1cc2ccccc2oc1=O 203801 ULFKRZNYZOEEAO-UHFFFAOYSA-N 285.259 1.242 0 50 CDAA Cc1cc(-c2ccccc2)nn1[C@@H](CC(=O)O)C(=O)O 238464 DJYPOZAAIBPISO-LBPRGKRZSA-N 274.276 1.959 0 50 CDAA O=C(Cn1cncn1)c1ccccc1Br 500207 WXERDXJZOKCUPJ-UHFFFAOYSA-N 266.098 1.924 0 50 CDAA Cc1cccc(COn2c(=O)c[n+]([O-])c3ccccc32)c1 618159 IEXAUXZAUJDONW-UHFFFAOYSA-N 282.299 1.572 0 50 CDAA Cc1c(Cl)cccc1NC(=O)CSCC(N)=O 1058716 HFGFJBGSVWSWHO-UHFFFAOYSA-N 272.757 1.805 0 50 CDAA COC(=O)[C@@H](C)Oc1ccc(C(=O)O)cc1OC 2885099 TURHMOFYTWKKFO-SSDOTTSWSA-N 254.238 1.334 0 50 CDAA CC(C)(C)NC(=O)NC(=O)C(Cl)(Cl)Cl 2913714 LBHSHXOPYIERKB-UHFFFAOYSA-N 261.536 1.981 0 50 CDAA C=COCCNC(=O)C(=O)Nc1c(C)cc(C)cc1C 2944436 TUAYGJWIQGILHP-UHFFFAOYSA-N 276.336 1.827 0 50 CDAA Cc1cccc(CS(=O)(=O)NCCCN(C)C)c1 10111486 CWXPRNIGGNTVSR-UHFFFAOYSA-N 270.398 1.366 0 50 CDAA CC(=O)c1c(C)n(O)c2cc(F)c(F)cc2[n+]1=O 104104836 AIGZNYSLJRGREB-UHFFFAOYSA-N 255.200 1.582 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)cc1F 131766503 MTNPTYVDXYCNQG-WDEREUQCSA-N 286.372 1.634 0 50 CDAA Cc1cc(CC(=O)NCc2cnc3c(C)cccn23)on1 67559350 YEAPXAYFOPDRKN-UHFFFAOYSA-N 284.319 1.798 0 50 CDAA Cc1nc(NCCNC(=O)C(C)C)cc(-n2cccn2)n1 67614137 AEVNJBXXPRBPCD-UHFFFAOYSA-N 288.355 1.155 0 50 CDAA COCCNc1ncnc2sc(C(=O)O)c(C)c12 21715867 SNVJHKAMQPEJNK-UHFFFAOYSA-N 267.310 1.756 0 50 CDAA COc1ccc(CN2CCC[C@H](CO)C2)c(OC)c1 23114819 MRJUCIYRLPENPS-LBPRGKRZSA-N 265.353 1.908 0 50 CDAA O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1C[C@H]1C(=O)O 250644966 JIMYMPFKVLLXHQ-XSPKLOCKSA-N 279.258 1.944 0 50 CDAA CCc1cn[nH]c1C1CCN(c2ccnc(N)n2)CC1 67675739 BURNCOKBFIPELJ-UHFFFAOYSA-N 272.356 1.728 0 50 CDAA C[C@@H]1OCC[C@H]1[S@@](=O)Cc1cn2ccccc2n1 179099022 GBNZRYRVDBQVJO-NMOXLHADSA-N 264.350 1.760 0 50 CDAA CCn1ncnc1[C@@H]1CC(=O)NCc2nc3ccccn3c21 65382147 BLJNWZHXNIBWRW-SNVBAGLBSA-N 296.334 1.098 0 50 CDAA CN(Cc1cnccn1)C(=O)COCc1ccccc1 172159661 NQOSHQCEWGJQNU-UHFFFAOYSA-N 271.320 1.652 0 50 CDAA CCC(=O)[C@@H]1CCCCN1C(=O)CCc1cnc[nH]1 331062324 NWXLMZRGSKAKRU-LBPRGKRZSA-N 263.341 1.703 0 50 CDAA CCc1cnc(C)nc1N1C[C@H](O)[C@@H](OC(C)C)C1 65462968 VPUZIMHTUBIVRY-STQMWFEESA-N 265.357 1.322 0 50 CDAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)CCO 252476837 CGQPCFHWUGXULJ-WXHSDQCUSA-N 263.337 1.686 0 50 CDAA CN(C)c1cccc(NC(=O)c2cn3c(n2)CCCC3)n1 332167481 LXZGDQUNKDJCGH-UHFFFAOYSA-N 285.351 1.933 0 50 CDAA CC(C)=CCC[C@@]1(C)OC(=O)N(CCC(N)=O)[C@@]1(C)O 1422279 MYWYPXVIFYCQGG-KGLIPLIRSA-N 284.356 1.528 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccsc2)C1 328655034 XZOPPECIRSDGIQ-AWEZNQCLSA-N 294.420 1.931 0 50 CDAA Cn1ccnc1[C@H]1OCCC[C@@H]1N[C@H]1CCSC1 328651525 VZAYZQWFSRMZSC-SRVKXCTJSA-N 267.398 1.735 0 50 CDAA C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cn2cnnn2)C1 172793991 PZIQWSAJPUQZSS-GWCFXTLKSA-N 289.314 1.422 0 50 CDAA O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 34034921 IPKZCLGGYKRDES-ZDUSSCGKSA-N 271.320 1.652 0 50 CDAA in-man NC[C@@H](c1ccc(F)cc1)N1CC[C@H](C(=O)O)C1 35622876 JQEOMOILFCBLJY-JQWIXIFHSA-N 252.289 1.232 0 50 CDAA O[C@]12CCCC[C@@H]1CN(c1ncnc3nc[nH]c13)CC2 128346050 NQXVGOLUHWKTPK-YGRLFVJLSA-N 273.340 1.484 0 50 CDAA biogenic COCCn1ccnc1CN(C)Cc1nc(C)cs1 215395191 VVEFBMWPNLMWKM-UHFFFAOYSA-N 280.397 1.926 0 50 CDAA Cc1cc(N2CCCN([C@H](C)CO)CC2)nc(C2CC2)n1 364953168 FJBZMQVDUNEIBJ-CYBMUJFWSA-N 290.411 1.555 0 50 CDAA Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)C2)s1 215534625 POLHKLAJFBICMI-ZDUSSCGKSA-N 293.436 1.518 0 50 CDAA Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H]3N)C2)n1 159150965 VWCDVGVPUIXXLM-UTUOFQBUSA-N 278.356 1.211 0 50 CDAA CCCC(=O)Nc1cncc(-c2nnc(S)n2C)c1 131833235 KPEDONRLNNDMMC-UHFFFAOYSA-N 277.353 1.904 0 50 CDAA COCc1nc(CN2C[C@@H](OC)Cc3ccccc32)no1 369211579 AOCGIWSTLVRLED-LBPRGKRZSA-N 289.335 1.794 0 50 CDAA C[C@H]1CN(C(=O)c2csc(-c3ncccn3)n2)CCN1 237590102 LVNZNCGHSBYFJG-VIFPVBQESA-N 289.364 1.034 0 50 CDAA CCn1nc(CO)c2c1CCN(Cc1scnc1C)C2 75874409 OBRGRWCHBHNIDC-UHFFFAOYSA-N 292.408 1.719 0 50 CDAA C[C@@H](N)C(=O)N1CCC(OCc2ccccc2F)CC1 158161332 LSISYYWVUCNCFY-LLVKDONJSA-N 280.343 1.681 0 50 CDAA O[C@@H](CN1CCN(c2ncccn2)CC1)C1CCCCC1 158329170 UXOBOTAFTIFYIY-HNNXBMFYSA-N 290.411 1.540 0 50 CDAA Cc1cnccc1N1CCN(C(=O)c2cn[nH]c2)CC1 215840243 JJHQEKHJRZIVDV-UHFFFAOYSA-N 271.324 1.076 0 50 CDAA Cc1cc(NC(=O)c2cccnc2S)c[nH]c1=O 159526347 QKBJYMPRGIKOMU-UHFFFAOYSA-N 261.306 1.619 0 50 CDAA CC(=O)NC[C@@H]1CN(C(=O)c2occc2C(C)C)CCO1 284415914 RWWLNDVHYOOCIY-GFCCVEGCSA-N 294.351 1.380 0 50 CDAA CC(C)(O)CCc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1 72458980 RZLXUGMOCWDGGG-CYBMUJFWSA-N 290.363 1.008 0 50 CDAA CNS(=O)(=O)c1ccc(Br)c(OC)c1 41105620 QTZUZLDVODJEHF-UHFFFAOYSA-N 280.143 1.366 0 50 CDAA C[C@H](NC(=O)Cc1cnn(C)c1)c1nc(C(C)(C)C)no1 174720920 PKBPQUCUKJUEKI-VIFPVBQESA-N 291.355 1.521 0 50 CDAA Cc1nn2cc(CNC(=O)c3c(C)noc3C)nc2s1 222905927 LBFWDCYSXHKKFA-UHFFFAOYSA-N 291.336 1.634 0 50 CDAA CCOCCC(=O)N1CCN(c2ccncc2C)CC1 220337613 RAIWJEDJDFUHMH-UHFFFAOYSA-N 277.368 1.465 0 50 CDAA Cc1cc(C(=O)N2CC[C@@]3(CN=C(O)C3)C2)ns1 329897632 LNFMQFXQQYPRBH-GFCCVEGCSA-N 265.338 1.644 0 50 CDAA CC(C)N1CCCC[C@@H]1CCNC(=O)Cn1ccnn1 426526003 HHNGHLBHUCTKPG-CYBMUJFWSA-N 279.388 1.047 0 50 CDAA O=C(N=c1[nH]ncs1)N1CCC(c2cnc[nH]2)CC1 531192128 ZKPZGXFOZFJIPJ-UHFFFAOYSA-N 278.341 1.095 0 50 CDAA COC(=O)[C@H]1C(=O)N(C)[C@@]2(C)C[C@H]1c1ccccc1O2 135702585 AZKCFCPNPADXAQ-JVLSTEMRSA-N 275.304 1.530 0 50 CDAA N[C@H]1C[C@@H](C(=O)O)N(C(=O)c2cccc(-n3cccc3)c2)C1 82146808 FNTIYFZJWNQHMK-JSGCOSHPSA-N 299.330 1.104 0 50 CDAA O=C(NCCc1cccc(Cl)c1)N1CC[C@H](O)[C@H](O)C1 426379752 NSWCVQCTWBTJIV-QWHCGFSZSA-N 298.770 1.020 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)c1ccnc(C(C)C)n1 426410413 CFQCUUWPGPDKKL-SNVBAGLBSA-N 288.355 1.702 0 50 CDAA O=C(NCc1noc(C2CCC2)n1)[C@H]1CCC[C@@H](O)C1 220039590 QUEYYMJBISPEEO-WDEREUQCSA-N 279.340 1.504 0 50 CDAA Cn1cccc1C(=O)N[C@H]1CCOC2(CCOCC2)C1 221302975 AJMYCNSBOJYFDG-LBPRGKRZSA-N 278.352 1.483 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)N(C)Cc2cnccn2)n1 426360085 RBCIDJHOXJVWOV-CYBMUJFWSA-N 299.378 1.953 0 50 CDAA CC[C@@H](C)NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 334161818 JGLFBCAUALNGNA-SKDRFNHKSA-N 289.335 1.042 0 50 CDAA CNC(=O)Cn1cc(-c2cc(OC)ccc2F)cn1 426465481 PRGDSPRLCICIDO-UHFFFAOYSA-N 263.272 1.444 0 50 CDAA C[C@@]1(C(=O)NCCSc2ccccn2)CCCNC1 96153301 ZVQOPXITENPVOG-CQSZACIVSA-N 279.409 1.680 0 50 CDAA CCN(CC)[C@@H]1CCN(c2ncncc2C(=O)O)C1 95381397 VURGVOHCPJNXDS-SNVBAGLBSA-N 264.329 1.095 0 50 CDAA CCNc1ncc(C(=O)N[C@H]2COC3(CCCC3)C2)cn1 95376199 BQQHIAGYLCHHBR-GFCCVEGCSA-N 290.367 1.740 0 50 CDAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[C@@H](C(=O)O)C1 237503809 AQWIEEBTVHFAJY-JOYOIKCWSA-N 293.367 1.149 0 50 CDAA CCC1=NO[C@H](CNC(=O)c2ccc(COC)o2)C1 96132583 OEEPTPUGGBXPQZ-NSHDSACASA-N 266.297 1.711 0 50 CDAA O=C(NCCCn1nnc2ccccc21)[C@H]1CCCCO1 97636504 SWLRGQQGGHXOSW-CQSZACIVSA-N 288.351 1.507 0 50 CDAA Cc1ncc(S(C)(=O)=O)c(N2Cc3ccccc3C2)n1 95358901 WKDUSLCOHYJELT-UHFFFAOYSA-N 289.360 1.709 0 50 CDAA CCCn1cc(NC(=O)N[C@@H](C)c2nnc(N)s2)nn1 95513284 MEFWHHOKGMPYAG-LURJTMIESA-N 296.360 1.005 0 50 CDAA Nc1ccc(-c2cncc(C(=O)N3CCCCC3)n2)cn1 97402445 RHUWUSJHQNQOFQ-UHFFFAOYSA-N 283.335 1.747 0 50 CDAA Cc1cc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)no1 95370395 PSQPYVXIXBNQAE-GFCCVEGCSA-N 280.324 1.129 0 50 CDAA C[C@@H](C(=O)N1CCCC1)N(C)CCCc1nccn1C 244858689 VQJWZODYRRLCSV-ZDUSSCGKSA-N 278.400 1.295 0 50 CDAA Cc1n[nH]c([C@H]2CCCN2CCc2ccccn2)n1 244673832 HWJXZUVQWXVQEX-CYBMUJFWSA-N 257.341 1.888 0 50 CDAA Cc1noc(C)c1CNC(=O)N[C@@H]1CCOC1(C)C 296488143 XKGWULLEZGXLNN-LLVKDONJSA-N 267.329 1.658 0 50 CDAA COc1cccc(CN2CCC(CC(=O)N(C)C)CC2)n1 182163083 XNHDMFCGKGQTSA-UHFFFAOYSA-N 291.395 1.781 0 50 CDAA Cn1cc(Cl)c(C(=O)N2CCN(C3CCC3)CC2)n1 625595548 NWAMOPWUCRCETR-UHFFFAOYSA-N 282.775 1.384 0 50 CDAA Cc1cnn([C@@H](C)C(=O)NCc2cscn2)c1 534588866 RPDRVBIBATTXJD-VIFPVBQESA-N 250.327 1.525 0 50 CDAA O=C(NCC1(Cn2ccnc2)CC1)N1CCCC[C@H]1CO 534638561 FNNIRNWGUFJLRE-ZDUSSCGKSA-N 292.383 1.220 0 50 CDAA Cc1ccc(C)c2c(O)cc(CN(C)[C@H](C)C(N)=O)nc12 299788041 RAOFPJROWAJWAM-LLVKDONJSA-N 287.363 1.863 0 50 CDAA CC(C)CC(=O)N1CCC(NC(=O)c2cnc[nH]2)CC1 299791267 CUAJMSFRCVSFEC-UHFFFAOYSA-N 278.356 1.177 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)o1 299794771 KIHQOGQFQRENIT-NTZNESFSSA-N 288.347 1.810 0 50 CDAA O=C(NCCCn1nccc1C1CC1)[C@H]1CCOC1 299800168 VOIYZKZVYXEMRL-LBPRGKRZSA-N 263.341 1.303 0 50 CDAA CC(=O)NCCNC(=O)NCC[C@H](C)c1ccccc1 299563523 MBVWGLVTCCTZQL-LBPRGKRZSA-N 277.368 1.616 0 50 CDAA CC1(C)CC(N2C[C@H](O)[C@@H](N3CCCC3)C2)CC(C)(C)N1 828896723 IHPZMGRDEGEEOW-GJZGRUSLSA-N 295.471 1.437 0 50 CDAA COC(=O)N[C@@H](C)c1n[nH]c(Cc2cccs2)n1 824156215 WXVGHZCPXDKFKZ-ZETCQYMHSA-N 266.326 1.874 0 50 CDAA Oc1n[nH]c(CN[C@@H]2CCN(c3ccc(F)cc3)C2)n1 584886204 BOBLFHSFQRLVLV-SNVBAGLBSA-N 277.303 1.018 0 50 CDAA Cc1ccccc1-c1ccc(CN2CC[C@H](N)C2)nn1 1875313125 HQQAWABRZYZEIQ-ZDUSSCGKSA-N 268.364 1.985 0 50 CDAA CN(CC1=CCCOC1)C(=O)/C=C/CN1CCCC1 1875338168 OTCWXXULHXXQJI-QPJJXVBHSA-N 264.369 1.444 0 50 CDAA O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)N1CCOCCN1 874434913 HFFJQABNSOYUFY-MQMHXKEQSA-N 293.342 1.618 0 50 CDAA COCc1cc(C2CN(C[C@@H](O)C(F)(F)F)C2)no1 952823071 PYKCEFNXJNWJEY-SNVBAGLBSA-N 280.246 1.143 0 50 CDAA CCOCCCS(=O)(=O)N(C)Cc1ccoc1C 952878747 DHOBIROBHIVTQW-UHFFFAOYSA-N 275.370 1.776 0 50 CDAA O=C(OCc1ccc(F)cc1)N1CCSC[C@H]1CO 952995073 CGGKHJRMPAXKDW-GFCCVEGCSA-N 285.340 1.872 0 50 CDAA Cc1cccn2c(CC(=O)NOC3CCC3)cnc12 1875272111 FSPBNXLBCWAMJO-UHFFFAOYSA-N 259.309 1.786 0 50 CDAA CC(C)C[C@H](NC(=O)[C@@H]1CC1(F)F)c1nn[nH]n1 1875290542 OPSDMTCCCQLSFB-BQBZGAKWSA-N 259.260 1.058 0 50 CDAA Cc1cnc(N2CCC[C@H]2c2ccc(N)nn2)nc1 886085693 KODAJNJKDXOWEX-NSHDSACASA-N 256.313 1.499 0 50 CDAA O=C(NCc1cn(C[C@@H]2CCOC2)nn1)c1ccccc1 899706062 MXBPJGCCCBOXHG-LBPRGKRZSA-N 286.335 1.245 0 50 CDAA C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(Cl)c2)CCS1 888097319 DMBYRFVPYKELSU-MRVPVSSYSA-N 299.783 1.637 0 50 CDAA O=C(O)[C@]1(C(=O)N2CC[C@H](c3ccccc3)C2)CCCO1 888098853 PFSYBKIUZBEEIK-XJKSGUPXSA-N 289.331 1.636 0 50 CDAA Nc1ncncc1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 269076650 HHIZEMOIZQEDQK-QWHCGFSZSA-N 286.310 1.618 0 50 CDAA CCc1ncnc(N[C@H]2CC(=O)N(C(C)(C)C)C2)c1F 271154044 HQQZXTRJGUAOAG-VIFPVBQESA-N 280.347 1.989 0 50 CDAA 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274.320 1.571 0 50 CDAA O=c1c2ccccc2nc(O)n1CCO[C@@H]1CC1(F)F 656472117 CDNAMRDLSNGGAF-SNVBAGLBSA-N 282.246 1.526 0 50 CDAA CCN(C)c1ccnc(N(C)Cc2cc(C)no2)n1 1529118220 GSNYNLHAAYUFDQ-UHFFFAOYSA-N 261.329 1.866 0 50 CDAA CCc1c(C)noc1NC(=O)[C@@H](C)N1CCCC1=O 1529125612 ROJYQMUHCGKOCQ-SECBINFHSA-N 265.313 1.495 0 50 CDAA CCNC(=O)C(C)(C)CN[C@@H]1C[C@H]2OCCC[C@H]12 225420926 CEHUHTHQWKXSPY-IJLUTSLNSA-N 254.374 1.306 0 50 CDAA COCc1csc(C(=O)N2CCC[C@H](C(=O)O)C2)c1 656491342 LYLYMMALEYPAEA-JTQLQIEISA-N 283.349 1.831 0 50 CDAA CSC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O 245344211 YDCRURHBJXTLGI-IVZWLZJFSA-N 258.387 1.146 0 50 CDAA Cc1cccc(F)c1S(=O)(=O)N[C@H]1CCCNCC1 367195455 MTYALIGEPLVDJA-NSHDSACASA-N 286.372 1.555 0 50 CDAA CCOCc1nc(C)cc(NCC2(OC)CCOCC2)n1 1616031968 BZSQLWFNNRPZRU-UHFFFAOYSA-N 295.383 1.929 0 50 CDAA COc1ccc(N[C@H](C)c2cn(C3COC3)nn2)cn1 1616036899 AIBIGNOSRSIURG-SECBINFHSA-N 275.312 1.426 0 50 CDAA CCNc1cccnc1C(=O)N[C@H]1CN(C2CC2)C[C@H]1C 1616040453 KCMZQQONRZZXNU-RISCZKNCSA-N 288.395 1.726 0 50 CDAA COc1nc(NCCNc2ncccc2C)ncc1F 1772703191 CWCQPPBYMAKMFL-UHFFFAOYSA-N 277.303 1.852 0 50 CDAA CCCC[S@](=O)C[C@@H](COC(C)C)OC(C)=O 5102561 NBEBVGRORGVLIO-SJKOYZFVSA-N 264.387 1.892 0 50 CDAA Cn1ccc(CC(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)c1 11813348 YSVIWMRNICKDEZ-ZDUSSCGKSA-N 291.395 1.331 0 50 CDAA COc1ccccc1C(=O)N1CCC(C(=O)O)CC1 11891536 VXRZDQTYKULBBP-UHFFFAOYSA-N 263.293 1.632 0 50 CDAA CC(C)NC(=O)N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 12466394 YDJMWJTYYNBPDQ-ZDUSSCGKSA-N 293.342 1.634 0 50 CDAA COCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 12717619 DPXOMLCCHFOFMX-CYBMUJFWSA-N 280.343 1.553 0 50 CDAA O=S(=O)(Cc1ccccc1F)NCc1ccncc1 16576932 GSZUKQJZKXNCHZ-UHFFFAOYSA-N 280.324 1.840 0 50 CDAA CC(C)Cc1c(O)nc(SCCN(C)C)[nH]c1=O 18059803 DJKCRBANAJKJNW-UHFFFAOYSA-N 271.386 1.328 0 50 CDAA CCC(=O)c1ccccc1OCCN1CCOCC1 19840719 QZVMUBODTZAGEV-UHFFFAOYSA-N 263.337 1.990 0 50 CDAA Cc1nc(-c2ccn3nccc3c2)n(C[C@@H](C)O)n1 1857675485 ZMAQKFNCPBPJRU-SECBINFHSA-N 257.297 1.282 0 50 CDAA N[C@H]1COC2(CCN(c3cnc4ccccc4n3)CC2)C1 1857680400 IINHQVPUENPAOM-GFCCVEGCSA-N 284.363 1.716 0 50 CDAA CC[C@H](C)CC(=O)N1CCN([C@H](C)C(=O)NC(C)C)CC1 225629769 CCJDANGJZKDFFN-UONOGXRCSA-N 297.443 1.480 0 50 CDAA Cc1noc([C@H]2CCCN(C(=O)c3cn[nH]c3)C2)n1 407956431 LWWBDMOSODTNCF-VIFPVBQESA-N 261.285 1.121 0 50 CDAA COC[C@]1(C(=O)O)CCN(C(=O)Nc2cncc(F)c2)C1 314233287 QLCDSPMIMCEUPN-ZDUSSCGKSA-N 297.286 1.176 0 50 CDAA C[C@@H](C(=O)N(C)Cc1ncc[nH]1)N1CCc2ccccc2C1 331618081 DXPAHJBLJYPFBN-ZDUSSCGKSA-N 298.390 1.815 0 50 CDAA C[C@@H](CCc1ccccc1)NCCN1CCOCC1 19954126 FVXIKYAOFZNMHI-HNNXBMFYSA-N 262.397 1.930 0 50 CDAA CC[C@H](C)n1[nH]c(=NC(=O)N=c2cc[nH][nH]2)cc1C 390835731 WIPOSHFVYWECHM-QMMMGPOBSA-N 262.317 1.373 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1cc(Cl)n(C)n1 1875279179 AOCFXJMODOJBFP-SFYZADRCSA-N 285.731 1.399 0 50 CDAA O=S1(=O)CCC(NC2C[C@H]3CSC[C@@H]3C2)CC1 1875292737 REEVAZVWXZIFAF-UWVGGRQHSA-N 275.439 1.295 0 50 CDAA CC(C)c1cnc(COc2ccncc2C(N)=O)o1 902572338 IHUSAOCWFWCFCA-UHFFFAOYSA-N 261.281 1.871 0 50 CDAA O=C(CCc1ccncc1)N1CCC[C@@H](C2(O)CC2)C1 1772806054 YCRZEYXOLKGEMO-CQSZACIVSA-N 274.364 1.778 0 50 CDAA CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@](C)(O)C(F)(F)F 1857778120 FIPQVRKJYFJYKH-MLUIRONXSA-N 287.234 1.278 0 50 CDAA COCC[C@@H]1CN(C(=O)c2ccc(F)cc2O)CCO1 223071425 DJZXYIWZNFPPKM-LLVKDONJSA-N 283.299 1.409 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)OC)[C@H](C)CC 252517359 GNKLKKHUNYXUHO-YTWAJWBKSA-N 257.330 1.115 0 50 CDAA C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C)CC1 12380408 WQWFZWLJTWAYDC-LLVKDONJSA-N 282.771 1.881 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)[C@@H]1CN 237526191 ROKNHPTWVGDERT-DGCLKSJQSA-N 276.384 1.347 0 50 CDAA C[C@H]1CN(C(=O)COc2ccccc2Cl)C[C@@H](C)N1 153736651 QPOQMAGFKQFGCJ-PHIMTYICSA-N 282.771 1.928 0 50 CDAA CCc1cnc(CN(C)C(=O)NCCCC(=O)O)s1 263379138 CMNDEGHYJKYHAK-UHFFFAOYSA-N 285.369 1.712 0 50 CDAA CC(C)(C)C[C@H](NC(=O)c1cncs1)C(=O)O 401339611 QUUZOMCUDJVTHZ-ZETCQYMHSA-N 256.327 1.762 0 50 CDAA CC1(C)[C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)[C@H]1C2 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0 50 CDAA CC(C)N1CCN(C(=O)c2cccc(F)c2)CC1 4700164 RDSYFRCEAPPKOM-UHFFFAOYSA-N 250.317 1.992 0 50 CDAA O=C(Cc1ccc(Br)cc1)NN1CCOCC1 4749251 GNDPGNAGZCNNEP-UHFFFAOYSA-N 299.168 1.355 0 50 CDAA CC[C@H](C)CS(=O)(=O)NCc1ccc2cncn2c1 416542600 AOPGBPCNRZRDHW-NSHDSACASA-N 281.381 1.800 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)N(C)CCc1ccccn1 105777814 VQVUNSBETSGORA-OAHLLOKOSA-N 290.411 1.750 0 50 CDAA O=C(O)C1CCC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 100149536 QEMCDXMBBXVOBM-QQFIATSDSA-N 277.320 1.581 0 50 CDAA CCC(=O)NCC(=O)Nc1cc(C)ccc1OC 59760971 IUPHCOMSLURGGG-UHFFFAOYSA-N 250.298 1.468 0 50 CDAA COc1ccccc1-c1nc2[nH]c(C)cc(=O)n2n1 100632908 PTCIPMJQFRALSH-UHFFFAOYSA-N 256.265 1.402 0 50 CDAA CCc1nnc(CN(C)c2ncc(C)c(N(C)C)n2)o1 65371659 CQMLVHAFZXJQIU-UHFFFAOYSA-N 276.344 1.433 0 50 CDAA CN1CCC[C@@H](CNC(=O)CCOc2ccccc2)C1 67771161 JLBIEBJTKJKYST-AWEZNQCLSA-N 276.380 1.914 0 50 CDAA CO[C@H]1CCN(C(=O)COc2ccc(C)c(C)c2)C1 170517464 YQLFNVBFPQUDTD-AWEZNQCLSA-N 263.337 1.930 0 50 CDAA 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1.469 0 50 CDAA Cc1nc(NCCn2cccn2)c2c(C)nn(C)c2n1 72410979 QCLXVYYZCSZQDG-UHFFFAOYSA-N 271.328 1.289 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccoc1 128318554 VPXDHRMYACIRRS-TZMCWYRMSA-N 251.326 1.999 0 50 CDAA O=C(c1cc(C2CC2)n[nH]1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71750407 WFISJIKBPWTQQL-DHPDLVEQSA-N 273.336 1.537 0 50 CDAA NC(=O)CC[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1 122745255 RROLTUVHLGIJAL-SNVBAGLBSA-N 294.326 1.649 0 50 CDAA COCc1cc(CN2CCOC[C@H](CO)C2)ccc1OC 77555734 MZEJDMIWBGBYTO-AWEZNQCLSA-N 295.379 1.282 0 50 CDAA O=C(O)CNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 238188436 OHEBLSBIMOZTMC-CYBMUJFWSA-N 276.336 1.099 0 50 CDAA OC[C@H]1CC(F)(F)CN1Cc1cnc2[nH]ccnc1-2 368115926 SIMQHMOPGIJDAM-SECBINFHSA-N 268.267 1.111 0 50 CDAA Cc1nc([C@@H](C)NC(=O)C2(N3CCCC3)CCCC2)n[nH]1 215940256 LTKWIIKBMDXKSB-LLVKDONJSA-N 291.399 1.699 0 50 CDAA Cn1cc(Cl)c(CN2CCO[C@@]3(CCSC3)C2)n1 335393794 CSOZFWLSWRQMSW-LBPRGKRZSA-N 287.816 1.781 0 50 CDAA Cn1cc([C@H](CO)NC2CCC3(CCCO3)CC2)cn1 370020709 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CCc1nc(C)c(C(=O)NCc2cnc(C)cn2)o1 214966982 JERWOKYMGXKJJD-UHFFFAOYSA-N 260.297 1.574 0 50 CDAA COc1ccc(CCC(=O)N2CCC[C@H]2C(=O)O)cc1F 262723035 WVNWCZLSDQRPAK-LBPRGKRZSA-N 295.310 1.843 0 50 CDAA Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)c(C)o1 263108551 KWRHBLHGDFYEGJ-GMSGAONNSA-N 287.337 1.238 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)N1CCOC[C@@H]1CC(=O)O 263234445 BMCQIRDCIFEITH-JTQLQIEISA-N 294.307 1.176 0 50 CDAA CSc1ccc(CNC(=O)N[C@H](C(N)=O)C(C)C)cc1 184638983 RJMFDPPZLUALET-LBPRGKRZSA-N 295.408 1.718 0 50 CDAA CCOc1ccccc1NC(=O)Cn1nc(C)ccc1=O 44394424 IIEBHQYORBHNBG-UHFFFAOYSA-N 287.319 1.589 0 50 CDAA Cc1nc(C)n(CCCNC(=O)c2cccc(F)c2O)n1 220236714 UFSLTZVHXMWULH-UHFFFAOYSA-N 292.314 1.560 0 50 CDAA Nc1nc(Cl)cc(N2CCOCC(F)(F)C2)n1 289226496 ZUIHKOGKBCUEEE-UHFFFAOYSA-N 264.663 1.184 0 50 CDAA C[C@@H]1O[C@H](C)[C@H](C(=O)N2CC(OC(F)F)C2)[C@H]1C 529115512 BFOMKOJJTJSDGT-QHOPCYEYSA-N 263.284 1.496 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H]1CCCC(=O)C1 133972201 BVXOBOZFBWEAKK-PSASIEDQSA-N 271.313 1.724 0 50 CDAA CCCc1cc(C(=O)NCCn2ccnc2CC)n(C)n1 82166653 XCQNWRLFURVWGM-UHFFFAOYSA-N 289.383 1.562 0 50 CDAA CCOC(=O)c1n[nH]c([Si](C)(C)C)c1[Si](C)(C)C 196457257 FXIOYNONAHVWGL-UHFFFAOYSA-N 284.508 1.677 0 50 CDAA CCCN(C(=O)c1ccc(CN)cc1)[C@@H]1CCNC1 178408049 ZCYLURJTCMLMHN-CQSZACIVSA-N 261.369 1.359 0 50 CDAA COc1ccc(NC(=O)[C@H](C)n2nc(C)ccc2=O)cc1 44394821 DUNNVKBIROQCLP-NSHDSACASA-N 287.319 1.760 0 50 CDAA CCn1ccnc1CNC(=O)C1(OC)CCCCC1 295590261 HSAJFMLEIRDXRP-UHFFFAOYSA-N 265.357 1.869 0 50 CDAA CC[C@H](Sc1nnc(CN)n1CC(C)C)C(=O)N(C)C 426501773 NQNUBVSBBGGETE-JTQLQIEISA-N 299.444 1.352 0 50 CDAA CC(C)N1CCC(CC(=O)N[C@@H](C)c2nncn2C)CC1 95364190 RJWDRHCWODBGBW-LBPRGKRZSA-N 293.415 1.503 0 50 CDAA CC[C@H](C(=O)N1CCN(c2cccnc2)CC1)n1cccn1 91860007 XVEQNHHFMKVTJA-OAHLLOKOSA-N 299.378 1.578 0 50 CDAA C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CCN 237541631 GQCYFYNXHNQFLH-CMPLNLGQSA-N 250.317 1.879 0 50 CDAA Cc1cnc(CNC(=O)c2nn(C)c3c2CCCC3)cn1 97756300 WPNQBIPUADNUQL-UHFFFAOYSA-N 285.351 1.327 0 50 CDAA CC[C@@H]1C=CCN1C(=O)CCn1c(C)cccc1=O 97681715 HDGRAKVDKAUTDY-CYBMUJFWSA-N 260.337 1.724 0 50 CDAA O=c1cc(N2CCCCC2)cnn1C[C@H]1CCCO1 95359652 OVQBBSLTDXPIPY-CYBMUJFWSA-N 263.341 1.413 0 50 CDAA O=C(C[C@H]1CCc2ccccc21)NCCN1CCCC1=O 91621081 TZEPJJPLBRFTQG-CQSZACIVSA-N 286.375 1.845 0 50 CDAA CCCn1cnnc1CN(C)C[C@H](C)N1CCCC1 244652047 GYTLCWCAPWPURW-ZDUSSCGKSA-N 265.405 1.604 0 50 CDAA Cc1[nH]ncc1CCCN[C@H]1CCCC[C@@H]1S(C)(=O)=O 182329328 FKFNPUKLGNAEGM-KBPBESRZSA-N 299.440 1.596 0 50 CDAA C[C@@]12[C@H]3[C@H]4[C@@H]5[C@H]([C@H]5[C@H]1n1c(=O)n(-c5ccccc5)c(=O)n14)[C@H]32 253595870 JZADYYGDWMIINM-MWQWRGMSSA-N 293.326 1.038 0 50 CDAA CC[C@H](C)[C@@H](CO)NC(=O)c1[nH]nc2c1CCCCC2 252503145 UZMZSUZCRGUKAU-GXFFZTMASA-N 279.384 1.815 0 50 CDAA Clc1cnc(=NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)[nH]c1 624682313 VHHLNAGWUWGVBF-JOYOIKCWSA-N 293.758 1.855 0 50 CDAA COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)O 299753404 YDIOUJZEAUWVDV-DJLDLDEBSA-N 281.283 1.732 0 50 CDAA Cc1ccnc([C@@H](NC(=O)CN2CCCC2=O)C2CC2)c1 534647899 OZCQAIXHDLHCMU-INIZCTEOSA-N 287.363 1.580 0 50 CDAA CCc1nc(O)ccc1C(=O)NCc1n[nH]c2c1CCC2 1940196916 DUWAXHSNMKGTJL-UHFFFAOYSA-N 286.335 1.491 0 50 CDAA Cc1[nH]ccc1C(=O)NCCCN1CCCC[C@@H]1CO 828710997 VOBPBLKUEPPRMD-CYBMUJFWSA-N 279.384 1.290 0 50 CDAA CN(C[C@H]1CCCO1)C(=O)CN1CCCCCC1 823629715 OIYUAMJNQKLBSW-CYBMUJFWSA-N 254.374 1.500 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)[C@H]1CC(=O)OC12CCCC2 584899288 NVYDWICFXCHKHN-GFCCVEGCSA-N 291.351 1.552 0 50 CDAA CCOc1cc(N2CC[C@@H](c3ncccn3)C2)ncn1 952994228 XRFZKZNFOXTTEG-LLVKDONJSA-N 271.324 1.659 0 50 CDAA Cc1c(C(F)(F)F)n[nH]c1CN1CCC[C@H]1C(=O)O 1875283077 FGMYQQDHFHLZLG-QMMMGPOBSA-N 277.246 1.786 0 50 CDAA O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1NCC[C@H]1C1CC1 1875288707 YIDDTTRJGHXBJZ-HRCADAONSA-N 288.391 1.094 0 50 CDAA O=C(NCc1cncs1)N[C@@H]1CC12CCOCC2 1875277302 UNCIRMFPZRGVSI-SNVBAGLBSA-N 267.354 1.511 0 50 CDAA Cc1ccc(C)c(C(=O)NCc2cnn(CCO)c2)c1 1875276204 DPMATAHBVWKBRJ-UHFFFAOYSA-N 273.336 1.422 0 50 CDAA Cc1nc(-c2ccccn2)cc(=NC[C@H]2CC[C@H](O)C2)[nH]1 1875261784 HZDSINQQISHADQ-STQMWFEESA-N 284.363 1.842 0 50 CDAA C=CC(=O)NCC(=O)N1CC[C@](C)(c2ccc(F)cc2)C1 1875302796 HTLBPKVHYWJVSN-INIZCTEOSA-N 290.338 1.618 0 50 CDAA c1ncn(-c2ccc(OC[C@@H]3C[N@]3C3CCC3)cc2)n1 1875378410 CQEDDMYMTDTOPT-KBXCAEBGSA-N 270.336 1.883 0 50 CDAA Cc1ccc([C@@H](C)CCNCc2nc(O)n[nH]2)o1 952871792 BMFQEPHAMDRCCE-QMMMGPOBSA-N 250.302 1.695 0 50 CDAA CN(Cc1cccc2cnccc12)S(C)(=O)=O 952987601 FUJZKFBWPQDYPY-UHFFFAOYSA-N 250.323 1.626 0 50 CDAA C[C@@H](NC[C@@H]1[C@H]2CNC[C@H]21)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952978505 CTWBTOAHMQXYCL-PUELNTLFSA-N 290.451 1.761 0 50 CDAA O=C(c1csnn1)N1CCOc2ccccc2[C@@H]1CO 887108224 ZVTYRGORSANSGA-NSHDSACASA-N 291.332 1.106 0 50 CDAA C[C@@H]1CCCN1CCNC(=O)N1CCc2ncncc2C1 897517937 AIXUUNBBBJHSQN-GFCCVEGCSA-N 289.383 1.029 0 50 CDAA CN(Cc1nncn1C)C(=O)Nc1cn(C)nc1C(F)F 1426526883 OWBSWGPWOHHRGL-UHFFFAOYSA-N 299.285 1.150 0 50 CDAA Cc1cc(F)cc(C(=O)N2CCO[C@H](CC(=O)O)C2)c1 135182316 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CCc1ccc2occ(C(=O)N[C@H](CO)[C@@H](C)O)c2c1 408520983 DLLOQLKELNURBH-NOZJJQNGSA-N 277.320 1.467 0 50 CDAA CC(C)(C)c1cc(SCCS(C)(=O)=O)ncn1 408516812 DLQYLIUQVVKDJD-UHFFFAOYSA-N 274.411 1.911 0 50 CDAA O=C(NC[C@H]1CCCC[C@@H]1O)Nc1cnns1 192330684 KBOCDOLLVVEMSL-SFYZADRCSA-N 256.331 1.211 0 50 CDAA Cc1ccc(CS(=O)(=O)Nc2cnccn2)cc1F 195573740 BKFAFWVYINFPNU-UHFFFAOYSA-N 281.312 1.866 0 50 CDAA CCC[C@]1(CO)CCN(C(=O)c2ccsc2)C[C@H]1O 1875247493 MXGIJXZTSFZTFN-TZMCWYRMSA-N 283.393 1.734 0 50 CDAA CCOc1cc(N2CCO[C@H](COC)C2)nc(C)n1 408518708 VVFZQPLSLLZBGV-NSHDSACASA-N 267.329 1.035 0 50 CDAA Cc1cc(O)cc(=O)n1C[C@@H](O)c1cccc(O)c1 1547139392 PDQJYZJQXAGHDA-CYBMUJFWSA-N 261.277 1.302 0 50 CDAA CS(=O)(=O)N[C@@H]1CCc2sc(Cl)cc21 335165293 CDDHYOAYCRZQRC-ZCFIWIBFSA-N 251.760 1.938 0 50 CDAA CC(C)c1nc([C@@H]2COCCN2C(=O)NC2CC2)no1 1875258234 KTHBMYMQWQUYJA-JTQLQIEISA-N 280.328 1.438 0 50 CDAA CCc1cc(NCc2nonc2C)nc(N(C)C)n1 1704343591 JWEITDRYKHRRPK-UHFFFAOYSA-N 262.317 1.409 0 50 CDAA CCCN(C)C[C@@H]1CCN(c2nc(Cl)ncc2N)C1 1616039155 XRIICSROLSDNIL-JTQLQIEISA-N 283.807 1.880 0 50 CDAA COC(=O)[C@H]1CC[C@@H](S(=O)(=O)N2CCC=C(F)C2)C1 1616001711 BQANVDCWOAVMRD-GXSJLCMTSA-N 291.344 1.217 0 50 CDAA CN(C)C(=O)CN1CCC(N[C@@H]2CCCC[C@@H]2F)CC1 1615587444 LZIILUQVCKIKDY-UONOGXRCSA-N 285.407 1.409 0 50 CDAA CCc1cc(C(=O)NC2(CC(=O)O)CCC2)n[nH]1 262527776 RXCAKMVQEVHOOJ-UHFFFAOYSA-N 251.286 1.099 0 50 CDAA O=C(O)Cc1ccc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)cc1 1775977916 KOESJHZGQPDXDY-FICVDOATSA-N 275.348 1.516 0 50 CDAA CN(C)c1nc(N2CC[C@H](O)CC(C)(C)C2)ncc1F 1772711931 LSOKAEFZNAHRCU-JTQLQIEISA-N 282.363 1.669 0 50 CDAA CCOC(=O)CNS(=O)(=O)c1cccc2ccccc12 5592165 ATLVMLQSSOSRBI-UHFFFAOYSA-N 293.344 1.681 0 50 CDAA Cc1nonc1C(=O)NCc1cccc(CN(C)C)c1 19837156 KZRFCRPNDLOSHU-UHFFFAOYSA-N 274.324 1.370 0 50 CDAA O=c1c2c(Cl)cccc2ncn1C[C@]1(O)CCCOC1 1857530420 LWSZFFIPIQOLLD-CQSZACIVSA-N 294.738 1.591 0 50 CDAA O=C(CNc1cccnc1)N[C@@H]1c2ccccc2C[C@@H]1O 1857685961 BRSOPFYMFPITKK-GOEBONIOSA-N 283.331 1.268 0 50 CDAA O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(n2cnnc2)CC1 1857691196 ZSBJOTXRIRINLB-MBNYWOFBSA-N 272.352 1.654 0 50 CDAA CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CC[C@@H](F)C2)CC1 334184858 BWCMBHFAECQNKI-VXGBXAGGSA-N 285.363 1.387 0 50 CDAA CCCc1nc(C)cc(N2C[C@H]3COC[C@@H]2CN(C)C3)n1 1875247987 SGMGPRPUTKDDGJ-KBPBESRZSA-N 290.411 1.504 0 50 CDAA Cc1ccncc1N1CCN(C(=O)C2CCC2)CC1 225599106 IUIYZORCGLPSAQ-UHFFFAOYSA-N 259.353 1.839 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cccnc1 227096374 VAYQGWYQAQKTLL-IHRRRGAJSA-N 288.347 1.868 0 50 CDAA C[C@]1(c2ccccc2)CN(C(=O)C2(C(=O)O)CC2)CCO1 118996350 RZZSSSMOILEVQD-OAHLLOKOSA-N 289.331 1.625 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)c1ccc(O)nc1 328636090 VINMSBVUTXMERJ-NSHDSACASA-N 286.335 1.318 0 50 CDAA Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nn1C 125180798 IEZMPJRJRBKXFV-ADEWGFFLSA-N 292.383 1.608 0 50 CDAA COc1ccc(C(C)C)cc1CN1CC[C@@H](CO)[C@@H](O)C1 653637808 ZGYMCZSTXBNUKX-HOCLYGCPSA-N 293.407 1.994 0 50 CDAA CN[C@@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 133777203 XXXFMVJTADSMAT-CYBMUJFWSA-N 299.374 1.212 0 50 CDAA OC[C@H]1CCN(Cc2ccccc2OC(F)F)C[C@@H]1O 576189958 YZNJMAQACKONBR-NEPJUHHUSA-N 287.306 1.463 0 50 CDAA O[C@@H](COc1ccc(Cl)cc1)CN1CCOCC1 19721024 JGWYIWBDTSZVFA-GFCCVEGCSA-N 271.744 1.412 0 50 CDAA C[C@]1(C(=O)N[C@H]2CCCNC2)CC(c2ccccc2)=NO1 911673069 JOISKODXGWRTGT-XJKSGUPXSA-N 287.363 1.438 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1CC1CC(F)(F)C1 818264332 PWJXZQXTXQTMGL-LBPRGKRZSA-N 276.327 1.259 0 50 CDAA NC(=O)NC1CCN(CC2C[C@@H]3[C@@H](C2)C3(F)F)CC1 929807429 OYFPJXZZQVCACF-GHMZBOCLSA-N 273.327 1.410 0 50 CDAA Cc1cnc(C(=O)N[C@@H](CO)CC2CCCC2)cn1 225542600 WKYNSZHRQATAFU-GFCCVEGCSA-N 263.341 1.456 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc2C1 145878259 PBRFDIYGGFBVNU-KBPBESRZSA-N 273.332 1.867 0 50 CDAA CC[C@]1(C(=O)O)CCCN(C(=O)c2c[nH]c(=N)s2)C1 426419666 CBGCFLHHKGQCHW-LBPRGKRZSA-N 283.353 1.273 0 50 CDAA N[C@H]1CCN(C(=O)NC[C@H]2CC3CCC2CC3)C1 335350440 WZRHBKPNWPZPRC-TUUUFIMRSA-N 251.374 1.555 0 50 CDAA CC[C@@]1(O)CCCN(C(=O)c2c(C)ncn2C)C1 584889148 HIUVFAJXFVYSIN-CYBMUJFWSA-N 251.330 1.106 0 50 CDAA CN(Cc1ccc(C(=O)O)o1)S(=O)(=O)C1(C)CC1 724859078 PLWGQSUTNQIFEV-UHFFFAOYSA-N 273.310 1.292 0 50 CDAA Nc1nc(C2CC2)nc(N2CC[C@H]([C@@H]3CCOC3)C2)n1 892951331 SJACIQZUAYBYCG-WDEREUQCSA-N 275.356 1.194 0 50 CDAA CCOc1ccccc1NC(=O)CCn1cnnn1 1431910 XQZAXFFSXCOITK-UHFFFAOYSA-N 261.285 1.101 0 50 CDAA O=C(NCc1ocnc1C(=O)O)c1ccc2ncccc2c1 2325759800 SHGQUQQXJKZOSO-UHFFFAOYSA-N 297.270 1.851 0 50 CDAA CO[C@]1(CN(C)c2nc(=N)[nH]c3c2CCCC3)CCOC1 2325799312 LBJZAXSZIJGFOW-HNNXBMFYSA-N 292.383 1.010 0 50 CDAA O=C(CCCc1nn[nH]n1)N1CCCSC[C@H]1C1CC1 888484883 FYBCHYAXNUJZTO-NSHDSACASA-N 295.412 1.267 0 50 CDAA O=c1sc2cc(Br)ccc2n1CCO 210965 NQMJJIZFXJAJSS-UHFFFAOYSA-N 274.139 1.818 0 50 CDAA C[C@@H]1CN(C(=S)NC(=O)C(C)(C)C)C[C@@H](C)O1 308481 OIMVSOKYWFUSCE-RKDXNWHRSA-N 258.387 1.543 0 50 CDAA COc1ccc2c(c1)N[C@]1(O)c3ccccc3C(=O)[C@]21O 408866 ZCJFNNGFDOCUAI-CVEARBPZSA-N 283.283 1.350 0 50 CDAA CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2560346 NZAMQYCOJSWUAO-JTQLQIEISA-N 288.344 1.271 0 50 CDAA COCCCNS(=O)(=O)c1c(C)cc(C)cc1C 2656572 WHFLUQVGEFDPBO-UHFFFAOYSA-N 271.382 1.927 0 50 CDAA CCOc1ccc(C(=O)NCCO)cc1OCC 2845205 LDASHYCTXMEWFC-UHFFFAOYSA-N 253.298 1.206 0 50 CDAA CC(C)N[C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O 3785294 ZSTCZWJCLIRCOJ-DGCLKSJQSA-N 261.325 1.133 0 50 CDAA in-man NCCc1nnc2n1C[C@H](c1ccc(Cl)cc1)C2 2356165447 IWDLFDBJGJJVBW-SNVBAGLBSA-N 262.744 1.773 0 50 CDAA C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 4957911 FNCUVGCMJDEBON-PWFXGISBSA-N 250.342 1.193 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)NCc2ccncc2)c1 6549996 APIBPXOJMSQWGD-UHFFFAOYSA-N 292.316 1.258 0 50 CDAA Cc1ccn(Cc2cccc(C(=O)N(C)C)c2)c(=O)c1 225549147 YVPLDLVZFATPDB-UHFFFAOYSA-N 270.332 1.907 0 50 CDAA CN1C(=O)[C@]2(NC(=O)c3ccccc3N2)c2ccccc21 8997481 CSSIRHNNISVTOC-MRXNPFEDSA-N 279.299 1.671 0 50 CDAA biogenic Cc1ccsc1CN(CC(C)C)C[C@H](O)CO 55576454 QNKNYULVZRSPOP-LBPRGKRZSA-N 257.399 1.868 0 50 CDAA CCc1cccc(NC(=O)CN(C)CC[C@H](C)O)c1 135414181 XJMVVJAOHWFPLO-LBPRGKRZSA-N 264.369 1.890 0 50 CDAA CCOC(=O)c1c(N)nc(C)n1-c1ccc(OC)cc1 22147326 MXTVCESLWUBKNV-UHFFFAOYSA-N 275.308 1.948 0 50 CDAA CC1=C(C(=O)N2C[C@H]3CC=CC[C@H]3C2)[C@@H](C)NC(=O)N1 67920061 ZGSAZLZUTZRZJV-JLLWLGSASA-N 275.352 1.386 0 50 CDAA Cc1nc(N)sc1C(=O)NC[C@@H](C)Oc1cccnc1 20541497 WOXAMKXXHVBXMA-MRVPVSSYSA-N 292.364 1.626 0 50 CDAA CNC(=O)C[C@@H](C)N(C)C(=O)Cc1nc(C)sc1C 67789144 OKLKUWVWBXSKKR-MRVPVSSYSA-N 283.397 1.285 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CC[C@@H](C(=O)O)C2)cn1 236762799 MYWZNUUSUUVMCK-SECBINFHSA-N 265.313 1.185 0 50 CDAA Cc1cc(N2CCNC(=O)C2)nc(-c2ccccc2O)n1 32603457 PANIQDSYOLGTFT-UHFFFAOYSA-N 284.319 1.094 0 50 CDAA Cc1noc([C@H]2CCCN2c2nnc(C)c(C)n2)n1 329213200 JARMSPJWFVKCMQ-SNVBAGLBSA-N 260.301 1.521 0 50 CDAA Cn1cc([C@@H](O)C(=O)OCc2cccc(F)c2)cn1 253427121 DGVLRPJTTJTCTJ-GFCCVEGCSA-N 264.256 1.336 0 50 CDAA CC(C)c1nc(N2CCC[C@@](O)(CN(C)C)CC2)no1 72143246 JTELDSFXBJLINZ-AWEZNQCLSA-N 282.388 1.476 0 50 CDAA Cc1nc(N[C@@H](CO)Cc2ccccc2)c2cnn(C)c2n1 72132039 VBSOVBSEEYQSGC-CYBMUJFWSA-N 297.362 1.687 0 50 CDAA Cn1nccc1[C@H]1CCCN(CCOC[C@H]2CCCO2)C1 257365605 XGJAVXYGOXDYAZ-LSDHHAIUSA-N 293.411 1.795 0 50 CDAA O=C(c1ccc2[nH]nnc2c1)N1CC(c2cccnc2)C1 72150612 AHDJGDMTYUYVAQ-UHFFFAOYSA-N 279.303 1.593 0 50 CDAA COCCN1CCC(c2nccn2[C@@H](C)CO)CC1 71497722 IOTKGXPRGVGMLR-LBPRGKRZSA-N 267.373 1.262 0 50 CDAA CCOc1ccccc1CNC(=O)C1(C(=O)O)CC1 154817990 VGSBRQNBMHNJMP-UHFFFAOYSA-N 263.293 1.566 0 50 CDAA CC1(C)[C@@H](O)C[C@H]1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2 365076388 GNXUUSQBMXGYIO-QEGBUVANSA-N 253.342 1.220 0 50 CDAA CN(C)c1noc(CN[C@H]2CCc3ccccc3OC2)n1 367218186 FCOWOZHHUHDNQN-LBPRGKRZSA-N 288.351 1.619 0 50 CDAA CCCN(CC(=O)OC)C(=O)c1cc(F)ccc1O 128641807 JZEPGVQIWFZHKN-UHFFFAOYSA-N 269.272 1.557 0 50 CDAA Cc1nc(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)c(C)s1 333968866 UCYOFBMMBGXREH-TXEJJXNPSA-N 295.408 1.353 0 50 CDAA COC[C@@]1(C(=O)Nc2nc(C)cs2)CCNC1 261549288 KIEQZHTZYHLXQV-LLVKDONJSA-N 255.343 1.016 0 50 CDAA COC[C@@H]1[C@@H](NC(=O)c2ccncc2F)[C@@H]2CCO[C@@H]21 219277269 AKLKOXLULOHVKT-LFSVMHDDSA-N 280.299 1.000 0 50 CDAA CCOC(=O)CCC(=O)c1ccc2c(c1)NC(=O)CO2 71405446 OSBQGSAJSGMSJD-UHFFFAOYSA-N 277.276 1.544 0 50 CDAA N[C@@H]1CC[C@@H](C(=O)NCCNC2CCCCCC2)C1 237989373 YKNKEZGOBAZKJL-CHWSQXEVSA-N 267.417 1.542 0 50 CDAA C[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H](C)S1=O 336296600 KWUBPGAGWSIUQB-RKDXNWHRSA-N 270.329 1.202 0 50 CDAA Cc1onc(C(=O)N(C)[C@@H]2CCOC(C)(C)C2)c1CO 219833493 XITCTBPFXFFFSR-SNVBAGLBSA-N 282.340 1.505 0 50 CDAA Cc1nn(C)c(NC(=O)[C@H]2CCCOCC2)c1C 336609971 ANAQVSQZDRYTRI-NSHDSACASA-N 251.330 1.792 0 50 CDAA Cc1nc(C)n(C[C@H](C)C(=O)NCc2ccccc2)n1 32498232 DHJZEQSYDVGCDU-NSHDSACASA-N 272.352 1.847 0 50 CDAA O=C(CCCCc1ccccc1)N1CCOC[C@@H]1CO 218903506 JZPXJUTZWXNJEJ-HNNXBMFYSA-N 277.364 1.619 0 50 CDAA Cc1nn(CC(=O)NCC[C@@H]2CCCN2C)c(C)c1C 216447415 CRQSWYRWDPBYEM-AWEZNQCLSA-N 278.400 1.409 0 50 CDAA Cc1cc(CNC(=O)Nc2ccc(C(N)=O)cc2)n(C)n1 340626645 ONZMEHNFJMJLHE-UHFFFAOYSA-N 287.323 1.149 0 50 CDAA CC[C@@H]1c2cccn2CCN1CC(=O)Nc1cnn(C)c1 72162306 GOEAFWQUWILAFN-CYBMUJFWSA-N 287.367 1.627 0 50 CDAA CCN1CCC[C@@H]1CNCc1cnnn1Cc1ccccc1 291934052 MGFZERMEPRMREJ-MRXNPFEDSA-N 299.422 1.900 0 50 CDAA O=C(O)[C@H]1C[C@H](O)CN(C(=O)OCc2ccccc2)C1 40845029 SLBOCRNMAOXNRL-RYUDHWBXSA-N 279.292 1.091 0 50 CDAA C[C@H]1CCCN(c2cc(N(C)C[C@H](C)C(=O)O)ncn2)C1 263550290 KFPRECHVYPIYAR-RYUDHWBXSA-N 292.383 1.870 0 50 CDAA COc1cc2c(cc1CN1C[C@@H]3CCN[C@@H]3C1)OCO2 426415696 XJSSIIHMQQRQOR-CMPLNLGQSA-N 276.336 1.218 0 50 CDAA O=S(=O)(c1ccccc1)[C@@H]1C=CC2(CC1)OCCO2 45071682 ILYOVPFNENWCAE-CYBMUJFWSA-N 280.345 1.922 0 50 CDAA NC(=O)C1(NC(=O)NC2Cc3ccccc3C2)CCCC1 426382824 WEKMSTLNPUOLAZ-UHFFFAOYSA-N 287.363 1.251 0 50 CDAA Cc1ccc(-c2noc(CNS(C)(=O)=O)n2)cc1 41152980 WVBGZRSBQXOOQG-UHFFFAOYSA-N 267.310 1.094 0 50 CDAA CC[C@H](OC)C(=O)N1CCN(c2ccccc2C)C(=O)C1 82156092 GBAQXUBBVJGQST-AWEZNQCLSA-N 290.363 1.595 0 50 CDAA OCCn1ncc2c1CN(c1nnc(C3CCC3)o1)C2 95378214 VPKKJODCBRRIEZ-UHFFFAOYSA-N 275.312 1.046 0 50 CDAA Cc1nnc(NCc2ccccc2-n2cncn2)o1 92061708 YJGAXNSGBDNCGS-UHFFFAOYSA-N 256.269 1.571 0 50 CDAA CCC[C@@]1(C(=O)O)CCCN(CCC(=O)N2CCCC2)C1 91626031 FZPQDUCZCHODAT-MRXNPFEDSA-N 296.411 1.966 0 50 CDAA Cc1nccc(NC(=O)N2CC[C@H](O)CC(C)(C)C2)n1 332278924 HSXSAVQYMKQKAM-NSHDSACASA-N 278.356 1.800 0 50 CDAA CCOc1ncccc1Cn1cc(-c2cncnc2)nn1 95358990 LJLCQTPTZAHJSE-UHFFFAOYSA-N 282.307 1.577 0 50 CDAA CNc1ncc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cn1 97759252 BCNPABJGEFKHFT-VIFPVBQESA-N 296.334 1.886 0 50 CDAA CC1(C)C[C@@H](NC(=O)c2nccnc2N)C(C)(C)O1 183098076 RGMFJTAWYUWHEQ-MRVPVSSYSA-N 264.329 1.135 0 50 CDAA Cc1c(C(=O)NCC(C)(C)C)cnn1-c1ccc(=O)[nH]n1 299149521 RZTWKUZUJWPHIN-UHFFFAOYSA-N 289.339 1.040 0 50 CDAA COC[C@@H](CO)NC(=O)CC1CC(C)(C)NC(C)(C)C1 534676111 SBHSXGFIZINYFB-GFCCVEGCSA-N 286.416 1.057 0 50 CDAA CC(C)Oc1ccccc1-c1nc(C(=O)O)nn1C 534578200 IOGIIEQZMHXLFT-UHFFFAOYSA-N 261.281 1.968 0 50 CDAA C[C@@H]1CNS(=O)(=O)c2ccc(Br)cc2C1 396137338 CFYOXXKKOXBTBT-ZETCQYMHSA-N 290.182 1.920 0 50 CDAA COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)O)C2 299797316 NHPSCTNQOOFJSA-VIFPVBQESA-N 251.282 1.363 0 50 CDAA Cc1conc1C(=O)N(CCc1ccccc1)CC(=O)O 630162674 OIECFQVZNAWUES-UHFFFAOYSA-N 288.303 1.753 0 50 CDAA Cc1cccc(C[C@H](C)Nc2ccc(C(N)=O)cn2)n1 821466779 QAKFOOAIWWJRNA-NSHDSACASA-N 270.336 1.927 0 50 CDAA Cc1nonc1CC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 827856153 OSSMFIFSIJYDDG-LBPRGKRZSA-N 291.355 1.348 0 50 CDAA Cc1cc(O)nc(CCN[C@@H](C)Cn2ccnc2C)n1 825264402 BNFCTSRFFWQELD-NSHDSACASA-N 275.356 1.216 0 50 CDAA CN(CC1(CO)CCC1)C(=O)COC[C@@H]1CCCCO1 584902283 FTBCGTQPEMTRGC-ZDUSSCGKSA-N 285.384 1.193 0 50 CDAA CC[C@H](NC(=O)Cn1cc(C)cn1)c1ncc(C)[nH]1 670467181 PINDDJHQRSAQOA-NSHDSACASA-N 261.329 1.491 0 50 CDAA CC(C)[C@H](CO)CNC(=O)C1(Cn2ccnc2)CC1 670472641 MYKAGCCKRVQOEW-LBPRGKRZSA-N 265.357 1.044 0 50 CDAA O=C(N[C@]12CCC[C@@H]1NCC2)c1cnc2cc[nH]c2c1 1550194640 RZEJKYLCRODGIT-ZFWWWQNUSA-N 270.336 1.577 0 50 CDAA Cc1c(NC(=O)[C@@](C)(O)C2CC2)cnn1C1CCOCC1 1550801355 AGTFXXYMZPKDAA-HNNXBMFYSA-N 293.367 1.643 0 50 CDAA CC(F)(F)c1noc(CNC(=O)N2CC3(CC3)C2)n1 1875301869 UJEAXJCUZLPSQJ-UHFFFAOYSA-N 272.255 1.487 0 50 CDAA Cc1cc(C)nc(N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)n1 952890227 PVATWOXAVUKQJX-VXGBXAGGSA-N 288.355 1.220 0 50 CDAA c1ccc(Cn2nnnc2N2CCC[C@@H]2[C@H]2CCCO2)cc1 952850498 XITSLKIRUIIKPN-HUUCEWRRSA-N 299.378 1.869 0 50 CDAA Cc1nc(C(C)C)nc(O)c1C(=O)N[C@@H](C)c1cc[nH]n1 1875261898 GQLRATKDEZTEFZ-QMMMGPOBSA-N 289.339 1.828 0 50 CDAA Cc1ncc(Cl)c(C(=O)N2CC[C@@H](C)[C@@H]2C(=O)O)n1 1875277355 HDVUFFMLHIZABP-LHLIQPBNSA-N 283.715 1.374 0 50 CDAA Oc1cc(N[C@H]2CCc3cncn3C2)c2cccnc2n1 1875294505 HDFNXXOGDVZEQF-JTQLQIEISA-N 281.319 1.959 0 50 CDAA OC[C@@]1(NCc2cccnc2O)CCOc2ccccc21 1875284802 NQGVDYGSYGGABB-INIZCTEOSA-N 286.331 1.547 0 50 CDAA Cn1cc([C@@H]2CCO[C@@H]2C(=O)NOC2CCCC2)cn1 1875272614 TXSYJIBMXVUUNB-STQMWFEESA-N 279.340 1.283 0 50 CDAA CC1(C(=O)N2C[C@](O)(C(F)(F)F)c3cccnc32)CC1 1875325875 WIKWXNNWULFSKV-GFCCVEGCSA-N 286.253 1.978 0 50 CDAA CC(=O)N1CCC(CO)(Cc2csc(C)n2)CC1 1875321263 AOJNNUQEKMHILU-UHFFFAOYSA-N 268.382 1.615 0 50 CDAA Cc1nn(C)c2ncc(CNC(=O)/C=C/CN(C)C)cc12 1875377085 RWGGFWUZCIEXQI-AATRIKPKSA-N 287.367 1.011 0 50 CDAA CC1=C(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)OCCO1 952983507 UBYNVPKFSMANAF-QWHCGFSZSA-N 275.304 1.039 0 50 CDAA C[C@H](C(N)=O)N1CCC(CNC(=O)c2ccccc2)CC1 952976943 NQNOJWOTKCIKKI-GFCCVEGCSA-N 289.379 1.002 0 50 CDAA COCCCOCCC(=O)N1CCCc2c(cnn2C)C1 952895681 VTSWKYXEIOFLDR-UHFFFAOYSA-N 295.383 1.138 0 50 CDAA CC(=O)N1C[C@@H](NCc2ncc[nH]2)CC[C@H]1C(F)(F)F 886034081 KNOVOOFVUIKBOQ-UWVGGRQHSA-N 290.289 1.441 0 50 CDAA CN(C)C1(C(=O)Nc2ccc3c(c2F)CCNC3)CC1 888096560 JMJUUKUBLOCXKM-UHFFFAOYSA-N 277.343 1.504 0 50 CDAA Cn1cnc(CNC(=O)[C@H]2CCC(=O)c3ccccc32)c1 890108149 VKDPDZCSYWHEBI-AWEZNQCLSA-N 283.331 1.797 0 50 CDAA O=C(N[C@@]12CCC[C@@H]1NCC2)c1cc2cnccc2[nH]1 1775600658 RVWRTQQGPWAWBZ-DZGCQCFKSA-N 270.336 1.577 0 50 CDAA C[C@H]1C[C@H]1C(=O)NCCc1nc[nH]c1Br 1775987293 QOWBVEOFSZCPBV-NKWVEPMBSA-N 272.146 1.487 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)c1cc(C(C)(C)C)n[nH]1 1775986299 ITJZRRCRUIKNRA-NXEZZACHSA-N 265.357 1.862 0 50 CDAA O=C(NOCc1cccnc1)N1CCN(CC2CC2)CC1 167124472 USPBNPOHJDYUMU-UHFFFAOYSA-N 290.367 1.250 0 50 CDAA NCc1nccn1Cc1nc(C(F)(F)F)cs1 630584445 XPLCZWLHECNXNI-UHFFFAOYSA-N 262.260 1.865 0 50 CDAA O=C(NCC1(C(F)(F)F)CC1)N1CCn2cnnc2C1 673156015 DDYKACPXIHAPJP-UHFFFAOYSA-N 289.261 1.146 0 50 CDAA CC(C)c1nnc(CN[C@H](C)[C@H]2CCCO2)n1C 170077380 ZDGUHGQCRZSDEN-GHMZBOCLSA-N 252.362 1.596 0 50 CDAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C=C1CCCCC1 281753428 IAWJHMHRIJKKPZ-JQWIXIFHSA-N 250.342 1.660 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=N)o3)C2)c(C)o1 636205298 AHEDSVXCLPYVKM-SNVBAGLBSA-N 290.323 1.712 0 50 CDAA CON(C)CCNC(=O)c1cc(F)c(F)c(F)c1F 585127367 YNPKXYQNPCVBQO-UHFFFAOYSA-N 280.221 1.466 0 50 CDAA CCOC(=O)[C@H]1CNC[C@]12CCN(C(=O)OC(C)(C)C)C2 91303165 LKKYIMUKDUHHII-ABAIWWIYSA-N 298.383 1.396 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CCC[C@@]2(CO[C@H](C(=O)O)C2)C1 91303349 XWLXLEQWTDDMRL-HZMBPMFUSA-N 285.340 1.877 0 50 CDAA in-vitro CN(Cc1cccn1C)C[C@@H]1CCc2nccn2C1 681914342 AEHBIHRXNWIMHG-ZDUSSCGKSA-N 258.369 1.916 0 50 CDAA NC(=O)[C@@H](c1ccc(F)cc1)N1OC2CCC1CC2 640228595 BRLCNDBDQCULPJ-WXRRBKDZSA-N 264.300 1.911 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(Cn2ccnn2)CC1 189734851 JLHQVBIBZSEMFF-GXTWGEPZSA-N 292.383 1.332 0 50 CDAA Cc1nc(CN2CCNC(=O)[C@H]2CC(C)C)oc1C 189819917 PUGDNQKILWBIJQ-GFCCVEGCSA-N 265.357 1.638 0 50 CDAA CCc1nsc(N2C[C@H](OC)C[C@@H]2c2nc(C)no2)n1 190088872 MLFDQONJSZYEEI-RKDXNWHRSA-N 295.368 1.758 0 50 CDAA c1cnc(-c2noc([C@@]34CCC[C@@H]3CNC4)n2)cn1 216652284 NIUBDYIAKRTYHU-NOZJJQNGSA-N 257.297 1.168 0 50 CDAA COCCC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 190617593 YXTRPMQTIBLTPF-HNNXBMFYSA-N 291.395 1.398 0 50 CDAA CS(=O)(=O)NC(=O)c1ccc2c(c1)CCCCC2=O 408474074 BHNYEAMKEDIJHW-UHFFFAOYSA-N 281.333 1.285 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1ccnn1C(C)C 643765471 UQERLHUHLZDIOB-OAHLLOKOSA-N 294.399 1.191 0 50 CDAA CCn1[nH]c(C)nc1=NC(=O)COc1ccc(C)c(C)c1 412869655 SBIWXJMIVDUXOQ-UHFFFAOYSA-N 288.351 1.663 0 50 CDAA CCOC(=O)c1csc(CC(=O)NCc2ccco2)n1 192792449 IGQQZLCLRUIXHQ-UHFFFAOYSA-N 294.332 1.772 0 50 CDAA COc1ccc(CCNC(=O)[C@H]2CCCCC(=O)N2)cc1 193671561 FGRUAVBXPOLJLB-CQSZACIVSA-N 290.363 1.413 0 50 CDAA CCOC(=O)CN(C(=O)[C@@H]1CCCO[C@@H]1C)C(C)(C)C 193840068 LZALBZWZXMZXER-VXGBXAGGSA-N 285.384 1.992 0 50 CDAA Cn1cc(-c2ccccc2CNC(=O)C(C)(C)CO)cn1 565190429 UEEZKEIQTFKTKR-UHFFFAOYSA-N 287.363 1.722 0 50 CDAA CC1(C)CC(=O)N(CC(=O)NCc2cccs2)C1=O 195189323 GOBDLXKDQKBAKY-UHFFFAOYSA-N 280.349 1.149 0 50 CDAA CC1CCN(S(=O)(=O)N2CC[C@@H](C(C)(C)O)C2)CC1 721815272 CYIFKBVPHHWKBF-GFCCVEGCSA-N 290.429 1.056 0 50 CDAA c1ccc(N2CCO[C@@H](CN3CCCOCC3)C2)cc1 579728125 GNBUTYNFFYNGQO-INIZCTEOSA-N 276.380 1.614 0 50 CDAA CCc1cccc2c1N(C(=O)c1[nH]nnc1C)CC2 789915681 KFNKSRHGLHVROJ-UHFFFAOYSA-N 256.309 1.878 0 50 CDAA CCn1cnnc1CN(C)c1cc(-c2nc(C)no2)ccn1 1506415441 XZDLMFOPNBCGRN-UHFFFAOYSA-N 299.338 1.688 0 50 CDAA O=C(O)Cn1cnc(-c2ccc3ncccc3c2)n1 1857725634 GQZKTUATTNAYQR-UHFFFAOYSA-N 254.249 1.578 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc(F)c1Cl)C2 1704311076 XFHLVILEOHNOAI-MNOVXSKESA-N 298.745 1.426 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2ccc(C)nn2)C[C@@H]1O 1704303068 ICUGASCTUDVNHZ-FZMZJTMJSA-N 279.340 1.227 0 50 CDAA O=C(CN1CCC[C@]2(CCC[C@H]2O)C1)N1CCCC1 1704299442 PUGHHIJLXIUXAW-UKRRQHHQSA-N 266.385 1.236 0 50 CDAA COCCOC(=O)c1ccc2nc(N)sc2c1 2482350 SRZNIAFAHGDVEJ-UHFFFAOYSA-N 252.295 1.682 0 50 CDAA in-vitro O=C(NCC1CCCCC1)N[C@H]1CCOC[C@@H]1O 636448504 IVCQPJOHUJPODA-RYUDHWBXSA-N 256.346 1.016 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCNC[C@H]1C 125305242 HPGQGJIUHVJNKC-SNVBAGLBSA-N 265.357 1.162 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2N)C1(C)C 236883458 CIIPPJDFQMVVIA-MROQNXINSA-N 268.401 1.776 0 50 CDAA CC(=O)N1CCC(C(=O)NC2CCCCC2)CC1 12917401 CNOYOWLHXSONLH-UHFFFAOYSA-N 252.358 1.694 0 50 CDAA CN1c2cc(Br)ccc2NS1(=O)=O 141453449 ZCWOEEDQKXMJSG-UHFFFAOYSA-N 263.116 1.556 0 50 CDAA CC(C)n1nccc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1N 1615548832 FNFZANGGDUEEMA-UKRRQHHQSA-N 284.363 1.819 0 50 CDAA CC[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)C(=O)NC 1638157630 XLFJBKXAYSWFNA-PLSXKVAHSA-N 297.358 1.889 0 50 CDAA O=C(COC[C@H]1CCCCO1)N1CCC(C2(O)CC2)CC1 1772816116 IRMDTPBBCDQOIZ-CQSZACIVSA-N 297.395 1.336 0 50 CDAA COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3)c(O)c1 1772704119 KDRNFVSGNWSXRS-ZHAHWJHGSA-N 262.309 1.024 0 50 CDAA OC[C@@]12CNC[C@H]1CN(CCOc1ccc(Cl)cc1)C2 1772700517 FXQWFGNVTUXTPC-WFASDCNBSA-N 296.798 1.233 0 50 CDAA CC[C@]12C[C@@H]1CN(C(=O)c1n[nH]c3c1COCC3)C2 1772810022 HFLSITSRKQMCNW-YMTOWFKASA-N 261.325 1.355 0 50 CDAA Cc1nc(CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)cs1 1772807015 HUZLOXLJRDWCMI-PWSUYJOCSA-N 265.382 1.362 0 50 CDAA Cc1nc2ncc3c(=O)n(Cc4ccccn4)ccc3n2n1 13638688 VQZYCUZACASJTL-UHFFFAOYSA-N 292.302 1.191 0 50 CDAA Cc1ccc(NC(=O)N[C@H]2C[C@H]3CO[C@H](C)CN3C2)cc1 1857719816 WGHBZUPIUFDGMO-SNPRPXQTSA-N 289.379 1.978 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(Cc1ccc3ccccc3n1)C2 1875246566 RJDNRUCJUSSBPX-YOEHRIQHSA-N 297.402 1.997 0 50 CDAA COc1ccnc(-c2ccc([C@H]3CNC(=O)C3)cc2)n1 1875250100 XQFDUQOSRMFWGW-GFCCVEGCSA-N 269.304 1.756 0 50 CDAA Cc1cc(C)c(S(=O)(=O)n2cncn2)c(C)c1 57617 XNKYPZJMRHXJJQ-UHFFFAOYSA-N 251.311 1.440 0 50 CDAA in-vitro CN(CCN(C)C1CC1)C(=O)c1cccc2oc(O)nc12 408517149 AGBOGJCPQVKBAZ-UHFFFAOYSA-N 289.335 1.700 0 50 CDAA Cc1cccc2c3nnc(SCC(=O)O)[nH]c-3nc12 2481991 ORYGYCLZFDDBDZ-UHFFFAOYSA-N 274.305 1.943 0 50 CDAA CCOCn1ccnc1I 2510762 YISOPKRYYGYKJQ-UHFFFAOYSA-N 252.055 1.482 0 50 CDAA in-vitro O=C1N[C@H](c2ccccc2)C(=O)N[C@@H]1c1ccccc1 4824100 BMGJGWGTAAJISM-ZIAGYGMSSA-N 266.300 1.715 0 50 CDAA in-vitro Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(O)c2)n1 4922814 PNJGRKMPJADTSI-UHFFFAOYSA-N 291.332 1.515 0 50 CDAA C[C@H]1CN(C(=O)c2ccnc(-c3ncc[nH]3)c2)CCCO1 645273411 OXNAQUMJBFWMTK-NSHDSACASA-N 286.335 1.723 0 50 CDAA Cc1ccc(CNC(=O)N2C[C@H](F)C[C@@H]2CO)nc1C 335282277 QXOLHHILDNSPAF-DGCLKSJQSA-N 281.331 1.313 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1ccnc1 250256096 SUFZNMCYTOMLEB-UPJWGTAASA-N 291.351 1.518 0 50 CDAA C[C@]1(O)CCN(C(=O)c2cnc(O)c3ccccc23)C1 253536989 XHSCCIIECLUQEY-HNNXBMFYSA-N 272.304 1.537 0 50 CDAA Cn1nnc2cc(C(=O)N3CCCC[C@@H]3C(=O)O)ccc21 158482562 LNIKTHRRAPKIGG-GFCCVEGCSA-N 288.307 1.048 0 50 CDAA CNCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 262668092 LMKAKMZDKLXGGS-UHFFFAOYSA-N 297.443 1.136 0 50 CDAA Cc1cc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)c(C)o1 263043848 VZTQJWBUWXMDHY-ZDUSSCGKSA-N 295.335 1.754 0 50 CDAA OCC[C@H]1CCc2ccccc2N1Cc1cnon1 852191422 LWZGLFITMRLNEV-CYBMUJFWSA-N 259.309 1.773 0 50 CDAA CC[C@H]1c2ccsc2CCN1C(=O)Nc1nnn(C)n1 932279347 XUSDRBFMEXDDIE-VIFPVBQESA-N 292.368 1.813 0 50 CDAA Cc1ccccc1[C@@H](C)C(=O)N1CC(=O)NCC1(C)C 935838887 DIQNBWGTOGPEBU-GFCCVEGCSA-N 274.364 1.836 0 50 CDAA CC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 68643 BVRKQKATEGHFQQ-UHFFFAOYSA-N 264.325 1.610 0 50 CDAA Cn1cc(S(=O)(=O)N2C[C@H]3CCC[C@H]3C2)cc1C(=O)O 123689847 HFPVMRAAQUQVCS-AOOOYVTPSA-N 298.364 1.144 0 50 CDAA COc1cccc(O)c1C(=O)N1CCC2(CCO2)CC1 252510290 ZGGJAIMAOKNAGU-UHFFFAOYSA-N 277.320 1.796 0 50 CDAA CCCn1cc(N[C@@H](C)CS(=O)(=O)CC)cn1 131502355 NNHAXRTXJFAKRD-JTQLQIEISA-N 259.375 1.528 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)NCc1ccncn1 253427073 CVRVSCOUNQSKBG-UHFFFAOYSA-N 281.312 1.403 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N1CCc2sccc2C1 262051151 ZONPGDDWOMOZNO-SKDRFNHKSA-N 266.366 1.010 0 50 CDAA OCc1ccc(CNC[C@H]2CCc3nccn3C2)o1 275563325 NZORURUFYZXNBL-LLVKDONJSA-N 261.325 1.321 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](O)CC1 294194135 RDTMBAJPXOMBDD-LBPRGKRZSA-N 287.356 1.670 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)CC2(CO)CC2)cc1C 188973234 BVIBTKJBXINXTB-UHFFFAOYSA-N 283.393 1.696 0 50 CDAA O=C(NCC[C@H]1CCCOC1)c1ccc(O)nc1 529597448 LPROCDDGNDIFAW-SNVBAGLBSA-N 250.298 1.334 0 50 CDAA O=C(NC[C@@]1(C(=O)O)CCCOC1)c1cccs1 630335113 LZAMNEOEIYSNQS-LBPRGKRZSA-N 269.322 1.359 0 50 CDAA Cc1nnc(CCNc2cc(C(C)C)nc(N)n2)[nH]1 91997793 RMGCXDZXULPMFO-UHFFFAOYSA-N 261.333 1.263 0 50 CDAA O=C1CC2(CCCC2)CC(=O)N1Cc1ncccn1 95510537 ZWOJTICVLNHMRR-UHFFFAOYSA-N 259.309 1.686 0 50 CDAA COc1c(C)[nH]ccc1=NC(=O)Cc1cn(C)nc1C 2100536903 DZSWHILYIRJUCJ-UHFFFAOYSA-N 274.324 1.044 0 50 CDAA Cc1nc(N2CCN[C@@H](C)CC2)c(C)c(-n2cccn2)n1 2325802751 ZLMCVAZWKPWEPG-NSHDSACASA-N 286.383 1.467 0 50 CDAA O=C(N[C@@H]1C2C[C@@H]3C1[C@@H]3C2)N1CC[C@@H](O)C12CCC2 2325829803 SNPNRRDXPSNIKU-SKTWOOMGSA-N 262.353 1.340 0 50 CDAA Nc1cccc(Oc2ccc3c(c2)C(=O)N(CCO)C3=O)c1 89164 CDBLKKMOOIFLOY-UHFFFAOYSA-N 298.298 1.649 0 50 CDAA O=C(NC1(C(F)(F)F)OCCO1)c1ccccc1 462673 UATZREYEVARURI-UHFFFAOYSA-N 261.199 1.679 0 50 CDAA COc1ccc(F)cc1S(=O)(=O)N1CCCC1 609658 ZKMVWANYLYISGV-UHFFFAOYSA-N 259.302 1.619 0 50 CDAA Cc1cc2nc3cc(S(=O)(=O)O)ccc3n2[nH]1 2505889 GQQKOBSWEJXCQE-UHFFFAOYSA-N 251.267 1.371 0 50 CDAA CCCC(=O)Nc1ccc(C(=O)NCC(=O)OCC)cc1 2846879 YGASWTYMWXKMIU-UHFFFAOYSA-N 292.335 1.718 0 50 CDAA COC[C@@]12COC[C@@H]1CN(CCc1cccc(C)n1)C2 2356169813 HQKSWABZJSOMQH-HOCLYGCPSA-N 276.380 1.527 0 50 CDAA O=C(O)CCCNc1ccc(S(=O)(=O)O)cc1 2900708 MRLABMVKKCOUKN-UHFFFAOYSA-N 259.283 1.210 0 50 CDAA Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 2943643 ZZAREBGNFLHVQO-GFCCVEGCSA-N 262.309 1.229 0 50 CDAA Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 4289907 ZKUGLZGYVDPXRV-MRVPVSSYSA-N 263.688 1.445 0 50 CDAA CS(=O)(=O)Nc1nnc(C2CCCCC2)s1 4521951 AXXLRDPTTPVQGO-UHFFFAOYSA-N 261.372 1.957 0 50 CDAA COC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1 4524655 HCVHFWOCAFAGEP-SECBINFHSA-N 250.298 1.410 0 50 CDAA CC1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1 4756922 LSDYKVUXSIDFFN-UHFFFAOYSA-N 296.392 1.930 0 50 CDAA CCOC(=O)/C=C1\S[C@@H](N2CCCCC2)C(=O)N1C 53021870 ZCKKHYXUQFTBIK-ASCRHOAZSA-N 284.381 1.408 0 50 CDAA world COC(=O)CN1CCN(Cc2ccc(F)cc2)CC1 20220523 BEBAPICLCBAOIM-UHFFFAOYSA-N 266.316 1.116 0 50 CDAA CN(C)CCNC1CCN(CCc2ccccc2)CC1 22045021 ZXGBKHNDHRNYRE-UHFFFAOYSA-N 275.440 1.845 0 50 CDAA c1ncn(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)N4)cc2)n1 65503098 KFOCOWLTHNBCSY-CABCVRRESA-N 283.379 1.594 0 50 CDAA CC(C)[C@H]1CCC[C@H](NC(=O)NC(CO)CO)CC1 347456954 XYQFQOKIXKDBPX-RYUDHWBXSA-N 272.389 1.244 0 50 CDAA COc1cc(OC)c(NS(=O)(=O)N(C)C)cc1Cl 28580418 RUSAWMRBBPVWJD-UHFFFAOYSA-N 294.760 1.576 0 50 CDAA O=C(CN1CCCC[C@@H]1c1nc[nH]n1)Nc1ccccc1 121779344 DRYVCRUZRVMCSP-CYBMUJFWSA-N 285.351 1.970 0 50 CDAA O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1Sc1cnn[nH]1 428190220 ZDNODGUUCQZIHX-IWSPIJDZSA-N 252.343 1.344 0 50 CDAA Cc1noc(CN(C)C(=O)CCc2cccnc2)n1 67983380 IDFMOZDJRVTXOP-UHFFFAOYSA-N 260.297 1.364 0 50 CDAA COCCN1CC[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 68494525 OBGIWXPSOWXUSV-SNVBAGLBSA-N 285.775 1.366 0 50 CDAA O=C(O)[C@@H]1C[C@H](n2cc(-c3ccccc3Cl)nn2)CN1 67712625 AHGLQLQXNHFCED-KWQFWETISA-N 292.726 1.586 0 50 CDAA Cc1c(C(=O)n2ccnc2)c2ccccc2[nH]c1=O 32501651 IHLAEEWXPKKIKG-UHFFFAOYSA-N 253.261 1.722 0 50 CDAA Cc1cc(C)n(C(=O)c2nn(C)c(C)c2Cl)n1 376126 CAOKRYVSYGNSGJ-UHFFFAOYSA-N 252.705 1.884 0 50 CDAA Cc1nc(CCN)cc(N(C)[C@@H](C)c2ccncn2)n1 67894169 XRICEXZCUUQFHY-JTQLQIEISA-N 272.356 1.274 0 50 CDAA O=C1N(CC2CCSCC2)C(O)=N[C@@]12CCOC2 330250624 HGXTWCOHDOSDJN-GFCCVEGCSA-N 270.354 1.045 0 50 CDAA O=C(NC[C@H](CO)Cc1cccnc1)C1CCCC1 253431750 IBSCPACYMBZBJP-CYBMUJFWSA-N 262.353 1.539 0 50 CDAA CN(C)c1ccc(-c2n[nH]c(O)c2CCCN)cc1 34792274 NSFYUTBCOHLKHH-UHFFFAOYSA-N 260.341 1.740 0 50 CDAA COc1cc(F)c(CN2CCOC[C@@H](CO)C2)cc1OC 77504598 GODYKOMHQLMTND-LLVKDONJSA-N 299.342 1.284 0 50 CDAA CS(=O)(=O)c1c(Cl)nc(Cl)nc1Cl 71782294 MAGUTJHZIADTKE-UHFFFAOYSA-N 261.517 1.840 0 50 CDAA CN1CCN(c2nccc(C3CCCC3)n2)C[C@@H]1CCO 72433699 GNDOIOJMZRZDBZ-AWEZNQCLSA-N 290.411 1.637 0 50 CDAA Cc1ccc(S(=O)(=O)Cc2cnon2)cc1C 521394991 MCVWBSPYJCGAHR-UHFFFAOYSA-N 252.295 1.660 0 50 CDAA CO[C@@H](C(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 259220957 GILYWUOEHFEABZ-SNVBAGLBSA-N 273.329 1.733 0 50 CDAA O=C(NCc1ccccc1-n1ccnc1)c1ccon1 363172927 VDAQKNNTVZFWAO-UHFFFAOYSA-N 268.276 1.790 0 50 CDAA COC(=O)C(C)(C)CNC(=O)c1ccc(Cl)cc1O 155290550 WYHXJKWKXFMYII-UHFFFAOYSA-N 285.727 1.975 0 50 CDAA CC1(C)C[C@@H](NCC(C)(C)C2(O)CCOCC2)CO1 333523150 GWSLBZONWLUWQW-GFCCVEGCSA-N 271.401 1.711 0 50 CDAA Cn1cc(-c2nc([C@@H]3CCO[C@H]3C(C)(C)C)no2)nn1 333623301 UPWVNOGMFKCGIA-PSASIEDQSA-N 277.328 1.784 0 50 CDAA 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C=CC(=O)N1CCC(C(=O)N2C[C@H](C)N[C@H](CC)C2)CC1 1875366063 FYZIRXRVTOOCHL-GXTWGEPZSA-N 293.411 1.010 0 50 CDAA COC(=O)/C=C/CCNC(=O)C[C@H](C)n1nc(C)cc1C 1875312152 UQAHZFKWEQTLTF-IYNGYCSASA-N 293.367 1.687 0 50 CDAA Cc1ccnc(NC(=O)C23C4C5C2C2C3C4C52C(=O)O)c1 1875311885 CZRIMFSBCQEAGN-UHFFFAOYSA-N 282.299 1.151 0 50 CDAA CN(C)c1ccc(C(=O)NC[C@H]2[C@H]3CCC[C@H]2NC3)cn1 1875344935 PHUSSTVZNUYDPJ-FPMFFAJLSA-N 288.395 1.266 0 50 CDAA c1ncc(-c2noc([C@H]3CCc4nn[nH]c4C3)n2)s1 952895294 TYMUEUVYJXXVJB-LURJTMIESA-N 274.309 1.584 0 50 CDAA CN(Cc1nc2ncc(Br)cn2n1)C1CCC1 952881513 OZEFVQSADBUZBZ-UHFFFAOYSA-N 296.172 1.871 0 50 CDAA CNC(=O)[C@H](NC(=O)c1ccc(O)c(C)c1)c1ccccc1 1875264466 BFKBGJUZDWCTPT-OAHLLOKOSA-N 298.342 1.918 0 50 CDAA Cc1c(O)nc(CCN(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]32)nc1O 1875295306 FOQGDUTXYHTZOY-MXWKQRLJSA-N 291.351 1.243 0 50 CDAA CC1=C(C(=O)N2CC(Oc3cccc(C)c3)C2)OCCO1 952975372 JJXSWKFGYSPANB-UHFFFAOYSA-N 289.331 1.863 0 50 CDAA CC(C)O[C@H]1C[C@@H](NC(=O)CCn2cccn2)C1(C)C 274227252 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CWIKDBWBESVDOB-UHFFFAOYSA-N 296.371 1.491 0 50 CDAA Cc1nscc1C(=O)N1CCOC[C@]12CCOC2 194387257 HPNYUTFEEBCYRL-GFCCVEGCSA-N 268.338 1.083 0 50 CDAA Cc1ccnc(C(=O)N[C@@H](C(C)C)C2(CO)CCC2)n1 565203482 GQGDQGIMZKYBNV-LBPRGKRZSA-N 277.368 1.702 0 50 CDAA CC1(C)CCC[C@H](CN2CC(n3cc(C(N)=O)nn3)C2)C1 576563360 MBENLBULHVDIBT-NSHDSACASA-N 291.399 1.450 0 50 CDAA COCCC[C@@H]1CCCCN1C(=O)CCN1CCCC1=O 1506416629 FLMZXNVCOJLRKB-AWEZNQCLSA-N 296.411 1.807 0 50 CDAA CC[C@@H]1CN(c2cncc(C(=O)O)n2)CCN1C(C)C 1529166987 BWKKLAASWCHCGL-LLVKDONJSA-N 278.356 1.484 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)c(O)n1 408333575 GDNQZVDLIZKFFJ-UWVGGRQHSA-N 250.298 1.849 0 50 CDAA CNCCCNS(=O)(=O)Cc1ccccc1Cl 122971210 PPSLSEGXXVMUOH-UHFFFAOYSA-N 276.789 1.369 0 50 CDAA O=C(O)CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 238187766 FFQNRVPJDQKQFM-RNFRBKRXSA-N 271.675 1.783 0 50 CDAA C[C@H](C(=O)O)n1nnc(-c2ccc(Br)cc2)n1 553964192 RTRPGUFUHOOUNR-ZCFIWIBFSA-N 297.112 1.748 0 50 CDAA Cc1nc(=N[C@@H](C)c2ccc3c(c2)OCCO3)n(C)[nH]1 1704335972 FAHKIGZDLLRMRR-VIFPVBQESA-N 274.324 1.490 0 50 CDAA CSCCCCNC(=O)[C@@H]1CC12CCNCC2 161394415 FEVNXTPWJYXGFS-NSHDSACASA-N 256.415 1.636 0 50 CDAA O=C1Cc2cc(I)ccc2N1 33979608 FAIHEVFTQPMOLE-UHFFFAOYSA-N 259.046 1.786 0 50 CDAA in-vitro CN(C)[C@H]1CCC[C@@H]1Nc1ccc(C(=O)O)nn1 1616117812 NGFOBYCVWGIWCD-WPRPVWTQSA-N 250.302 1.069 0 50 CDAA C[C@@H](CN(C)CCCn1cccc1)N1CCOCC1 1529196092 UXKWLVBFWXDXGN-HNNXBMFYSA-N 265.401 1.531 0 50 CDAA Cc1noc(C)c1CN1C[C@H]2CNC[C@@]2(CCC(=O)O)C1 1772701009 AOVOHJPJIKYXMT-DOMZBBRYSA-N 293.367 1.178 0 50 CDAA CCOC(=O)c1c[nH]c2ccc(C)cc2c1=NCCO 5958578 NCXCKWGCRFXRDG-UHFFFAOYSA-N 274.320 1.546 0 50 CDAA Cc1ccc(-c2cc(C(=O)N3CCNCC3)n[nH]2)cc1 11866611 DDQMYKDIZAJCBN-UHFFFAOYSA-N 270.336 1.431 0 50 CDAA COc1ccc(CCN2C[C@@H](NCC3CC3)CC2=O)cc1 11879736 DXGXZYYBKMIEMC-HNNXBMFYSA-N 288.391 1.838 0 50 CDAA CCOC(=O)c1ccc2[nH]cc(C(=O)OCC)c(=O)c2c1 14988422 COEYNUSEKQNMEJ-UHFFFAOYSA-N 289.287 1.882 0 50 CDAA biogenic COc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1 18143112 CJAHENZRXKHXSA-UHFFFAOYSA-N 268.272 1.688 0 50 CDAA CC(C)OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 19938321 GNOJFUXZGOGSSY-INIZCTEOSA-N 296.386 1.734 0 50 CDAA CC=CC[S@](=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1 1857533275 WREYVCDDDHMFLG-QFSBIZTOSA-N 257.399 1.816 0 50 CDAA COc1c(C)ncnc1N1CCC[C@@H](c2ncc[nH]2)C1 656118587 NDYXILQQKBSMPH-LLVKDONJSA-N 273.340 1.901 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1[C@@H](C(N)=O)[C@H]2C=C[C@H]1C2 200624109 DJGMHEFBXRYKPW-AATLWQCWSA-N 252.314 1.187 0 50 CDAA C[C@H]1CN(C)CCN1[C@H](C)C(=O)NCc1ccccc1F 229806587 HZQYFSLSFFMKDW-QWHCGFSZSA-N 293.386 1.466 0 50 CDAA Cc1oc(C(C)C)nc1C(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 329124226 XMNOEONEAJQAIM-TUAOUCFPSA-N 278.352 1.949 0 50 CDAA CCN(Cc1ccccn1)c1ccnc(N2CCOCC2)n1 443520034 QRVFFOJZVXLBGY-UHFFFAOYSA-N 299.378 1.735 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)O)C2)cn1 133071455 WZCWJSKEDISOQG-GFCCVEGCSA-N 262.309 1.256 0 50 CDAA CC(C)n1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)cn1 248132909 NUCFMJSLQPFAHR-OCCSQVGLSA-N 276.384 1.630 0 50 CDAA O=C(Nc1ncco1)N[C@@H](CO)Cc1ccccc1 158325677 AZQTZEQORTXQHB-LLVKDONJSA-N 261.281 1.400 0 50 CDAA CCS(=O)(=O)N1CCN(Cc2ccsc2)CC1 19842665 PMFGJPZCZJMHEG-UHFFFAOYSA-N 274.411 1.215 0 50 CDAA CC(C)c1nc(=NCc2c[nH]c(=N)s2)s[nH]1 1875272548 BLIGHZHKBRMOOO-UHFFFAOYSA-N 255.372 1.565 0 50 CDAA Cc1nc(N2CC[C@H](C(=O)O)C2)nc2ccccc12 900934982 NTRMWHBOSSSYHK-JTQLQIEISA-N 257.293 1.849 0 50 CDAA CN1CCCN=C1NCc1ccc2cnn(C)c2c1 849029668 GPXVZUYDUITLPO-UHFFFAOYSA-N 257.341 1.354 0 50 CDAA COc1ccc([C@H]2CCCN2CCN2CCNC2=O)nc1 934340745 UJQBLZDEFRRIIS-CQSZACIVSA-N 290.367 1.252 0 50 CDAA Cc1nc(NCCc2cc[nH]n2)c2cnn(C)c2n1 1120868434 GZRFJGVZAIWKEK-UHFFFAOYSA-N 257.301 1.049 0 50 CDAA Cc1c(CN(C)C(=O)c2cc(C(F)F)ncn2)cnn1C 935727768 ILMLWTHETHFBAL-UHFFFAOYSA-N 295.293 1.728 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)[C@H](C)c1ccco1 858383272 OSAVVEAHEJEDLZ-SNVBAGLBSA-N 250.298 1.443 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2COc3ccccc32)C[C@@H](C)N1 226690422 ZAHUVFLZVYXRAP-LOWVWBTDSA-N 260.337 1.371 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)COc2ccccc2F)C1 156367978 SCSGIZRVANJIGY-VXGBXAGGSA-N 280.343 1.790 0 50 CDAA C[C@H]1CN(Cc2cnn(C)c2C(F)(F)F)CCO1 176961021 VHUSUBHCOFSCMG-QMMMGPOBSA-N 263.263 1.660 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCC1(CO)CCC1 426420026 GMSZJKWUXTTZSZ-SNVBAGLBSA-N 251.330 1.031 0 50 CDAA C1COC[C@@H](N2CCC(CN3CCCC3)CC2)C1 674301066 MAYFJTPYARESIM-HNNXBMFYSA-N 252.402 1.973 0 50 CDAA COc1cc(CC(=O)N2CCN[C@@H]3C[C@H]32)ccc1C 952992428 DNNKSPCAUSNDBR-CHWSQXEVSA-N 260.337 1.119 0 50 CDAA O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC1CCCCC1 100167076 PTGMESSIKGMEGN-STQMWFEESA-N 290.363 1.387 0 50 CDAA O[C@@H]1CN(Cc2noc(-c3ccccc3)n2)C[C@H]1F 1506397244 AMYLBDIKKBHYNT-GHMZBOCLSA-N 263.272 1.251 0 50 CDAA O=C(N[C@H]1C[C@H](n2cccn2)C1)C(=O)c1ccc(O)cc1 2325803552 NRFNCYCPHRGOIL-HAQNSBGRSA-N 285.303 1.291 0 50 CDAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCCC1 42809 PZEXMHGVMUYUBB-UHFFFAOYSA-N 286.331 1.685 0 50 CDAA O=C(Nc1nccs1)[C@H]1COc2ccccc2O1 130547 KBUJVICLRDBOIE-SNVBAGLBSA-N 262.290 1.922 0 50 CDAA COCC(=O)N1CCN(c2ccc(F)cc2)CC1 303177 BARJCXUTLQHXNI-UHFFFAOYSA-N 252.289 1.121 0 50 CDAA O=C(O)COCc1nnc(S)n1-c1ccccc1 191388 SJOPOCAMVOAYHH-UHFFFAOYSA-N 265.294 1.157 0 50 CDAA O=C1Nc2ccccc2[C@H]1[C@@]1(O)C(=O)Nc2ccc(F)cc21 613733 GWARABSOJONSBW-CZUORRHYSA-N 298.273 1.701 0 50 CDAA O=C(O)C[C@H]1SC(=O)N(c2ccccc2)C1=O 1317932 HBAJAVBPXWWMOM-MRVPVSSYSA-N 251.263 1.730 0 50 CDAA C[C@@]1(c2ccc(Br)cc2)NC(=O)NC1=O 2048539 ZQUNVNMQLMHUDO-JTQLQIEISA-N 269.098 1.504 0 50 CDAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N(C2CC2)C3)n(C)n1 2356144040 HGESLDAFOXSAAJ-VIFPVBQESA-N 286.339 1.053 0 50 CDAA O=S(=O)(c1ccc(Cl)nc1)N1CCCCC1 3317449 DIZNLVKQRLBFHI-UHFFFAOYSA-N 260.746 1.910 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4384217 JEJKVDIMYSYXMU-SNVBAGLBSA-N 251.257 1.301 0 50 CDAA CCNS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 4537706 VJUWYSDBQWRNIQ-UHFFFAOYSA-N 268.338 1.333 0 50 CDAA Cn1cncc1CN1CC(=O)N(Cc2ccccc2)C1 343883443 VHCOFWSBRXTWPV-UHFFFAOYSA-N 270.336 1.222 0 50 CDAA CC[C@@H](Oc1ccccc1)C(=O)NCCN(C)C 4811132 ZOTYRHYLZMBPCQ-CYBMUJFWSA-N 250.342 1.522 0 50 CDAA CC(C)Oc1cccc(CCCNS(C)(=O)=O)c1 10543257 GXIOHFXCXNWROU-UHFFFAOYSA-N 271.382 1.956 0 50 CDAA Cn1cccc1C(=O)Cn1cnc(C2CCC2)cc1=O 134444694 MQQCKUONFXTOIP-UHFFFAOYSA-N 271.320 1.732 0 50 CDAA COC(=O)CCCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 134899972 BGELRDJIBNTCEL-UKRRQHHQSA-N 280.412 1.888 0 50 CDAA Cc1cc(-n2cnnc2[C@@H](C)n2cccn2)n(C)n1 67755518 HXDIKSVMDDCPGS-SNVBAGLBSA-N 257.301 1.115 0 50 CDAA CN(Cc1cccc(-c2cn[nH]c2)c1)C[C@H]1COCCO1 20598717 AKJYMCSXTJYACP-INIZCTEOSA-N 287.363 1.924 0 50 CDAA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cn[nH]c1 223265496 JWBCSMYSKJXSGV-CRWXNKLISA-N 275.352 1.733 0 50 CDAA CCCCn1nnnc1NC(=O)N(C)C[C@H]1CCCCO1 23145612 AHQGEZFYDCPYEN-LLVKDONJSA-N 296.375 1.506 0 50 CDAA CC(=O)N[C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1 25406755 IRUDQRJPMANDEK-LURJTMIESA-N 258.680 1.942 0 50 CDAA Cc1nn(C)c(C)c1-c1ccnc(N2CCC(O)CC2)n1 23250692 UQWGBVRDHXYYJY-UHFFFAOYSA-N 287.367 1.455 0 50 CDAA CSCC[C@@H](O)C(=O)NC1(c2ccccc2)CC1 220179576 PHGZGVXLWFFXGP-GFCCVEGCSA-N 265.378 1.906 0 50 CDAA COC[C@H]1CCCN1C[C@]1(O)CCCN2CCCC[C@@H]21 63856003 DSBFWMPIRBFPBS-BZUAXINKSA-N 282.428 1.477 0 50 CDAA COc1ccccc1CNC(=O)N1CCOCC1 30248 LJFROEBVTMBSEL-UHFFFAOYSA-N 250.298 1.237 0 50 CDAA CCn1cc(C(=O)Nc2ccccc2C(=O)OC)cn1 355845 RVVXYOSXWBWIDX-UHFFFAOYSA-N 273.292 1.942 0 50 CDAA COc1cccc(C(=O)N2C[C@@H](F)C[C@H]2CO)c1OC 330587104 XWFOCTGGKZUDLK-UWVGGRQHSA-N 283.299 1.249 0 50 CDAA O=C(O)c1nccnc1C(=O)Nc1cccc(F)c1 1428679 KOTANJJWZPECLD-UHFFFAOYSA-N 261.212 1.566 0 50 CDAA COc1cc(-c2cccc(CN3CCOCC3)c2)ncn1 67457948 XXPTZDSWOJDUED-UHFFFAOYSA-N 285.347 1.984 0 50 CDAA CSC[C@H](O)CN1C(=O)NC(C(C)C)(C(C)C)C1=O 253432250 JOBNRZIWBBRTFM-SNVBAGLBSA-N 288.413 1.313 0 50 CDAA Cc1n[nH]c(C)c1CNc1ccc(-c2nccn2C)nn1 71753719 XQTKDZQFAYOWNB-UHFFFAOYSA-N 283.339 1.829 0 50 CDAA CN1CCN(C(=O)c2ccco2)C[C@H]1c1nccn1C 328625097 KKUSOAUNCCKLKW-NSHDSACASA-N 274.324 1.142 0 50 CDAA O=C(CCNC(=O)N1CCC[C@@H]1C1CC1)N1CCCCC1 363473527 DCGGNAYXQBNERK-CQSZACIVSA-N 293.411 1.973 0 50 CDAA CC(C)Oc1cccc(C(=O)N[C@@H]2CCN(C(=N)O)C2)n1 330437507 BUFMXJNHEXQRQP-SNVBAGLBSA-N 292.339 1.166 0 50 CDAA COc1ccc(CC(=O)N2CCNC[C@@H]2C)cc1F 125512601 BKWQZNDSKBYRND-JTQLQIEISA-N 266.316 1.197 0 50 CDAA CN(C)c1ccc(CCNC(=O)[C@H]2CCCN2)cc1 70815445 HITAXSKGXCISRU-CQSZACIVSA-N 261.369 1.163 0 50 CDAA CCCn1ccnc1CN1CCC[C@@H](c2ncn[nH]2)C1 215450467 VXDACKPRWBBQKL-GFCCVEGCSA-N 274.372 1.791 0 50 CDAA O=C(C1CC1)N1CCCCC[C@H]1C1CCN(CCO)CC1 370083459 PTSHFZLEEXYPAC-INIZCTEOSA-N 294.439 1.872 0 50 CDAA O=C1C[C@H](CNC(=O)c2ncccc2O)c2ccccc2N1 370138393 NCADUSJGUJWSQC-SNVBAGLBSA-N 297.314 1.643 0 50 CDAA O=C(C[C@@H]1CCNC1)N1CCC(c2ncc[nH]2)CC1 216269495 QXIFOOVJEWRTNK-NSHDSACASA-N 262.357 1.115 0 50 CDAA NC(=O)COc1ccccc1CN1CCOc2ccccc21 32511606 QXKGRADWHMDDQT-UHFFFAOYSA-N 298.342 1.950 0 50 CDAA O=C(NCCn1cccc1)N1CCC[C@H]1[C@@H]1CCCO1 239352157 ABGYHYQQOKUEQY-KBPBESRZSA-N 277.368 1.841 0 50 CDAA C[C@H](C(=O)O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 237412283 GLWJSGDOAZZPIX-LLVKDONJSA-N 294.326 1.447 0 50 CDAA O=C(N[C@H]1CCC[C@@H](C2CC2)C1)[C@H]1C[C@H]1C(=O)O 240668598 HNSKIZKVDVICAY-NOOOWODRSA-N 251.326 1.792 0 50 CDAA COc1cnc(NC(=O)N[C@@H](C)[C@@H]2CCOC2)s1 334019923 BXXXTJPPARISSZ-JGVFFNPUSA-N 271.342 1.698 0 50 CDAA Cn1cncc1CNC(=O)N1CCC[C@H](N2CCCC2)C1 334589896 BDSKQEGIQQVOMG-ZDUSSCGKSA-N 291.399 1.190 0 50 CDAA CS[C@@H]1CCC[C@H]1NC(=O)N[C@H](CO)CC(C)C 241965716 UVCCXJAARZKSGP-QJPTWQEYSA-N 274.430 1.977 0 50 CDAA NC(=O)C1(NC(=O)[C@H]2CCc3ccccc32)CCCC1 70886923 USZZCOFXFTXKLH-ZDUSSCGKSA-N 272.348 1.631 0 50 CDAA Cc1cccc(NC(=O)C(=O)N2CCOCC[C@@H]2C)c1F 242389217 ZVGBIYXQHRUKFD-NSHDSACASA-N 294.326 1.710 0 50 CDAA O=C(O)CO[C@@H]1COCC[C@H]1NC1CCCCC1 222726462 RVBILRPOEPVRDZ-VXGBXAGGSA-N 257.330 1.167 0 50 CDAA O=c1scnn1Cc1cnn(-c2ccccc2)c1 135470679 FFCKSKVCVFYDEY-UHFFFAOYSA-N 258.306 1.539 0 50 CDAA C[C@H](CN(C)c1nnc(-c2ccon2)s1)C(=O)O 263559355 QJSNRIJPMUVFID-ZCFIWIBFSA-N 268.298 1.350 0 50 CDAA N=c1[nH]nc(CNC(=O)c2cccc3cccnc23)s1 426734526 PWIXRWVMZJTUBR-UHFFFAOYSA-N 285.332 1.429 0 50 CDAA O=C([C@H]1CCCO1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 339025382 IVQQWDNLRYMUPM-BYNSBNAKSA-N 278.396 1.498 0 50 CDAA Clc1nc(I)c2nc[nH]c2n1 144276830 HCRLJEBMLJCCRJ-UHFFFAOYSA-N 280.456 1.611 0 50 CDAA COc1cccn(Cc2ccc(C(=O)N(C)C)o2)c1=O 95530640 AYWUVBNIJKJANS-UHFFFAOYSA-N 276.292 1.200 0 50 CDAA CC(C)Cc1cc(Cn2cc(-c3cncnc3)nn2)no1 95356134 WLWKGSNAHLXCJJ-UHFFFAOYSA-N 284.323 1.970 0 50 CDAA O=C(c1c[nH]nc1C1CCCCC1)N1CC[C@@H](O)C1 97716968 ZXLUNCKWZYYJLZ-LLVKDONJSA-N 263.341 1.664 0 50 CDAA CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1CCCC[C@H]1O 180697108 NCOSWRUPZKFWRM-MELADBBJSA-N 284.400 1.205 0 50 CDAA Cn1cnc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 536131359 BEZGBHWWQJWENN-UHFFFAOYSA-N 286.335 1.509 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1Cc1ccco1)[C@@H]1C[C@@H]31 239287468 CVYRGPUOIVOLJM-LQSBQDLSSA-N 269.300 1.833 0 50 CDAA CCN(CCC(=O)O)C(=O)CC[C@H]1CC[C@@H](C)O1 237021398 IJRKRACJSMRQAY-GHMZBOCLSA-N 257.330 1.657 0 50 CDAA CNC(=O)c1ccc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)o1 91908371 QIWLOEVBBOJILE-NWDGAFQWSA-N 292.335 1.182 0 50 CDAA O=C(NC(=O)OCC(F)(F)F)OCC(F)(F)F 521399241 BLSWEMKDMMXMLJ-UHFFFAOYSA-N 269.097 1.974 0 50 CDAA CCn1ccnc1CN1CCCC[C@@H]1c1nc[nH]n1 182709531 MWVSCYDDOWRMNN-LLVKDONJSA-N 260.345 1.748 0 50 CDAA NC[C@@H](c1ccccc1Cl)N1CC[C@@H](C(=O)O)C1 242728105 YTGVQIOLIBQSHG-SKDRFNHKSA-N 268.744 1.746 0 50 CDAA c1cnc2c(OCCN[C@H]3CCOC3)cccc2c1 534652942 HOPPVQRBQZKNST-ZDUSSCGKSA-N 258.321 1.992 0 50 CDAA CCCn1ccnc1CNC(=O)C[C@@H]1CC1(F)F 534588275 PYVKGRRKBCXJRE-SECBINFHSA-N 257.284 1.955 0 50 CDAA C[C@@]1(C(=O)N2CCC(CCC(N)=O)CC2)CCCCO1 457706728 JWEWNPCAPRJSDJ-HNNXBMFYSA-N 282.384 1.450 0 50 CDAA CN(C)Cc1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 371956777 JSWHKOLMHAMDTO-OAHLLOKOSA-N 298.390 1.759 0 50 CDAA Cc1nnc(CNC(=O)c2ccc(O)nc2C(C)C)o1 1940197580 AHLNAPVIRCIZNQ-UHFFFAOYSA-N 276.296 1.532 0 50 CDAA COCC1(CNC(=O)[C@H](C)NC(=O)OC)CCCC1 496695408 CLEYLLWHLMZMLE-JTQLQIEISA-N 272.345 1.054 0 50 CDAA CC(C)N(C)S(=O)(=O)NCc1nc2ccccc2o1 820717175 PZXCVCXDKXQZMN-UHFFFAOYSA-N 283.353 1.502 0 50 CDAA COCC1CCN(C(=O)CN2CCCCCC2)CC1 824371009 LFKMRWJWOHXBDE-UHFFFAOYSA-N 268.401 1.747 0 50 CDAA CC(C)n1cnnc1CCNC(=O)CCCc1cn[nH]c1 584889128 MKBXHZJNOXPYJY-UHFFFAOYSA-N 290.371 1.264 0 50 CDAA CSCCN1CCN(C(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)CC1 670448381 JDIJSSRZCNYTLM-AZOBVAEKSA-N 294.464 1.786 0 50 CDAA CN(C)C[C@@H]1COCCN(C(=O)CCC(F)(F)F)C1 670446512 PRCDWGUALDPNGR-JTQLQIEISA-N 282.306 1.366 0 50 CDAA CN(Cc1ncc(C(=O)O)cn1)C(=O)OC(C)(C)C 685948899 FESKBQBOIWASCZ-UHFFFAOYSA-N 267.285 1.542 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)CO2 66339730 GBLUNQGZHFQTPW-JTQLQIEISA-N 256.346 1.504 0 50 CDAA in-vitro CC(C)c1ncncc1C(=O)N1CCC[C@@H]([C@H](C)N)C1 269297199 WHURRLBBLNNPOI-NWDGAFQWSA-N 276.384 1.799 0 50 CDAA CNC(=O)CN1CCC(N[C@@H](C)c2ccncc2C)CC1 1875285698 WRTLTZZSQMZVNS-ZDUSSCGKSA-N 290.411 1.251 0 50 CDAA CCC[C@H](NC(=O)c1nccc2c(C)cccc12)C(N)=O 1875278523 GZXIOYPNPSSRKE-ZDUSSCGKSA-N 285.347 1.927 0 50 CDAA Cc1cccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CC[C@H]3N4)CC2)c1 1875270678 NGTXJLVQAXPUPS-USXIJHARSA-N 299.418 1.784 0 50 CDAA Cc1ccccc1[C@H](N)C(=O)NCc1ccns1 1875347886 YFKMOMVVZOHXQL-LBPRGKRZSA-N 261.350 1.768 0 50 CDAA CC(C)(C)c1nc(CCNC(=O)N2CCC2)no1 1875306229 YAWQTEBONIBHIQ-UHFFFAOYSA-N 252.318 1.325 0 50 CDAA CCNC(=O)CN(C)C[C@@H]1COC2(CCCCC2)O1 952884014 RIWBIODBFKTDRS-GFCCVEGCSA-N 270.373 1.130 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1cc(OC)cnc1F 952879186 HLDLEVGBWQFRBN-UHFFFAOYSA-N 288.300 1.116 0 50 CDAA CC(C)Cc1nc(CCN)n(-c2ccc(C(=O)O)cc2)n1 952861496 HIMDJVUEJSLIKY-UHFFFAOYSA-N 288.351 1.665 0 50 CDAA Cc1cc(C(=O)Nc2ccc3nc([C@@H](C)O)[nH]c3c2)nn1C 952977916 JTNNKRGUKWSYKQ-SECBINFHSA-N 299.334 1.910 0 50 CDAA CCSc1ncc(CNCc2csc(N)n2)cn1 952962606 HADVJBQQUFUWDH-UHFFFAOYSA-N 281.410 1.917 0 50 CDAA O=C(c1cnsn1)N1CCOc2ccccc2[C@H]1CO 887109200 GYYBNWXUUXHZHJ-LLVKDONJSA-N 291.332 1.106 0 50 CDAA CC[C@H](NC(=O)c1ccn(C(C)C)n1)[C@H](O)C(F)(F)F 270855431 KQRIGCSBZLKBDH-WPRPVWTQSA-N 293.289 1.896 0 50 CDAA O=C([C@H]1NCc2ncncc21)N1CCc2ccc(F)cc2C1 1775962283 CJXFQAUMUOQXPJ-HNNXBMFYSA-N 298.321 1.345 0 50 CDAA CN(CCOc1ccccc1)C(=O)c1ccc(=O)[nH]c1 18072883 YBHVFRLSRNSCNN-UHFFFAOYSA-N 272.304 1.526 0 50 CDAA C=CC(=O)NC[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 1338395537 UXSAHZSQDOKNFZ-GFCCVEGCSA-N 272.304 1.417 0 50 CDAA O=C1O[C@H]2CN(c3cnccn3)C[C@H]2N1C1CCCC1 1565526687 BAYZPJSRITUCBG-NEPJUHHUSA-N 274.324 1.429 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccnc1SC 1565509586 HXFNPLDRKMWBME-QWRGUYRKSA-N 282.365 1.337 0 50 CDAA COc1ccc2[nH]c(C(=O)N3CCC(=O)CC3)cc2c1 276093499 QUTAHINZKHQXTO-UHFFFAOYSA-N 272.304 1.982 0 50 CDAA COC(=O)c1cccn2cc(Br)nc12 95629964 AHRNKKKJBWWDTO-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro Cc1cc(N2C[C@H](O)[C@H](O)C2)c2ccc(F)c(F)c2n1 277503176 SVPNKSDMQDCBSQ-TXEJJXNPSA-N 280.274 1.363 0 50 CDAA COC(=O)[C@H]1CCCCC[C@H]1NCc1ccon1 170084634 ZHGDHHMQZWEKLW-NWDGAFQWSA-N 252.314 1.886 0 50 CDAA O=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccc[nH]2)C1 516383525 XCVPNXAZYAKMKI-UHFFFAOYSA-N 291.351 1.072 0 50 CDAA CCSc1cncc(N2CCn3cnnc3[C@H]2C)n1 170611252 PJELXIFCJAREBZ-SECBINFHSA-N 276.369 1.761 0 50 CDAA CC(C)N1CC(=O)N(Cc2nnc3n2CCCCC3)C1=O 170609856 YDEAQAYIKGQURK-UHFFFAOYSA-N 291.355 1.177 0 50 CDAA Cc1cccc(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)n1 408398792 XWKYTHQDCZCOAA-XTZNXHDOSA-N 266.366 1.231 0 50 CDAA CC[C@H](C)[C@@H](O)CNC(=O)c1nnc2ccccc2n1 281352769 VPQLXZCOCIZRGL-CABZTGNLSA-N 274.324 1.162 0 50 CDAA NC(=O)c1cc(N(C[C@H]2CCCO2)C2CCCC2)ncn1 641400503 PWYNREJVCNSRHU-GFCCVEGCSA-N 290.367 1.504 0 50 CDAA C[C@H]1CCCC[C@H]1OCC(=O)Nc1cnn(CC(=O)O)c1 647744989 NZHHIDPRYUQMDT-CMPLNLGQSA-N 295.339 1.502 0 50 CDAA COCC[C@H]1CCC[C@H]1NCc1ncc2c(n1)CCOC2 652235958 YUYVLJWMZBUUFT-TZMCWYRMSA-N 291.395 1.844 0 50 CDAA Cc1ccn(-c2ccc(NC(=O)[C@H]3CC[C@@H]3C(N)=O)cc2)n1 577767867 NQZFOKXBVSNFDG-KBPBESRZSA-N 298.346 1.631 0 50 CDAA CCN1CCCC[C@H]1C(=O)NC[C@H]1CCn2ccnc2C1 583623965 NVXCQLCRRWWXAZ-KBPBESRZSA-N 290.411 1.436 0 50 CDAA Cc1noc(C)c1CCCNC(=O)c1ccc(C(=O)O)o1 1339078788 BPXRJXHNCWHTKP-UHFFFAOYSA-N 292.291 1.945 0 50 CDAA Cn1ncc2c(N)nc(N3C[C@H]4CC[C@H](C4)C3)nc21 1506400351 FMYSSPWMHVACDE-DTORHVGOSA-N 258.329 1.182 0 50 CDAA Cc1cc(C)n(C[C@@H](C)N2CCOC3(CCNCC3)C2)n1 1506396360 RXMRIVYIZWBZRK-OAHLLOKOSA-N 292.427 1.343 0 50 CDAA OC1(c2ccccn2)CCN(c2nnc3ccccn23)CC1 1506418716 YBZFTGKZFAVBJG-UHFFFAOYSA-N 295.346 1.612 0 50 CDAA CC1=C(C(=O)NCc2cc(C3CC3)on2)OCCO1 1506407036 LQUCUWWYAHAKMH-UHFFFAOYSA-N 264.281 1.447 0 50 CDAA NC(=O)c1csc(C(=O)NC[C@@H]2CC[C@@H](F)C2)c1 1857530705 YEOXJSXBLLRKRQ-VXNVDRBHSA-N 270.329 1.715 0 50 CDAA O=C(c1ccco1)N1CCC[C@@H](N=c2cc[nH]cc2F)C1 1529168266 ZIBZNELRUWZMDP-LLVKDONJSA-N 289.310 1.952 0 50 CDAA CC(C)[C@@](C)(NCc1ncc(Cl)s1)C(N)=O 304499720 CKDCLMSWMNPMJR-SNVBAGLBSA-N 261.778 1.786 0 50 CDAA CC[C@@H](C)CC(=O)N1CC(n2nc(C)nc2C)C1 646096804 JNUPCDOQJNNQEW-SECBINFHSA-N 250.346 1.714 0 50 CDAA CCC1=C(C(=O)N2CC[C@](O)(C3CC3)C2)CCCO1 373356941 WYWOGYOUSDBCIW-OAHLLOKOSA-N 265.353 1.834 0 50 CDAA O=C([C@H]1CNCC12CCCCC2)N1CCn2nccc21 1615550595 YKKZOBUEIZENNK-GFCCVEGCSA-N 274.368 1.400 0 50 CDAA C/C(=C(/F)C(=O)NCCNC(=O)NC(C)C)C1CC1 1615551196 XACKHZAXYBGAMD-LUAWRHEFSA-N 271.336 1.464 0 50 CDAA C[C@@H](C1CC1)N(C)S(=O)(=O)Cc1ccc2nonc2c1 1615605293 JZOHPNQXCRAGLB-VIFPVBQESA-N 295.364 1.783 0 50 CDAA C[C@@H](CN(C)CCOCc1ccccc1)N1CCOCC1 1529168156 XBTDLXFEFVFFMU-INIZCTEOSA-N 292.423 1.856 0 50 CDAA Nc1c(C(=O)NCc2ccccc2)nnn1-c1ccccc1 11612234 KIDRBCIRDJDFME-UHFFFAOYSA-N 293.330 1.780 0 50 CDAA CN(Cc1ccccc1)C(=O)c1ccc(-n2cnnn2)cc1 12322238 GYMRKSZWYCSOQR-UHFFFAOYSA-N 293.330 1.935 0 50 CDAA CCc1cc(-c2nc(C[C@@H]3CCCO3)no2)n(C)n1 19794962 IEKIWHCWJFGFEB-JTQLQIEISA-N 262.313 1.754 0 50 CDAA COC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4C)C(=O)[C@H]13)O2 150247948 NDOPUHIEVZKCTM-FHIRATQRSA-N 299.326 1.454 0 50 CDAA O=C(COCC(F)(F)F)N[C@@H]1C[C@H]2CC[C@@H]1O2 157566357 AYYXURGVKWIEFY-PRJMDXOYSA-N 253.220 1.001 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NCc1nc(-c2cccc(O)c2)no1 1857529202 FIZGGRGEZXKVSQ-KCJUWKMLSA-N 273.292 1.714 0 50 CDAA Cc1nc(C)c(CNC(=O)c2ccn3ncnc3c2)s1 1857676167 DDELRIGGXPXHNE-UHFFFAOYSA-N 287.348 1.733 0 50 CDAA CS(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1 571937 NVEWKQMAXLSSMZ-UHFFFAOYSA-N 268.338 1.294 0 50 CDAA CCOC(=O)[C@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 100463100 AAUQYAVYRMDOAX-RNCFNFMXSA-N 255.314 1.807 0 50 CDAA in-vitro CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1cccnc1)OC2=O 352798 IMIKZTGKOWXWBU-CVEARBPZSA-N 288.347 1.820 0 50 CDAA CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@H](C)Cc1cccs1 225413988 DHCOUKRQSHQWLI-UMNHJUIQSA-N 297.424 1.878 0 50 CDAA Cc1nc(C(=O)NCCOC2CCCC2)ccc1C(=O)O 111643950 PVVGFDQSIKGBPW-UHFFFAOYSA-N 292.335 1.777 0 50 CDAA C[C@H](O)[C@H]1CN(Cc2cccc3c2CCOC3)CCO1 639672543 GYOVPBLCHOHLQK-BLLLJJGKSA-N 277.364 1.341 0 50 CDAA C[C@H]1C[C@H]1NC(=O)c1cc(C(=O)O)nn1-c1ccccc1 237649869 JNPQZHBCEFYJNJ-GXSJLCMTSA-N 285.303 1.709 0 50 CDAA CN1CC[C@@H](NC(=O)c2nccc3ccccc23)C1=O 150772518 NHIANIMXTFZLKV-GFCCVEGCSA-N 269.304 1.195 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCCn1ccnc1 267302747 GEHGUZNEJMCOCG-CHWSQXEVSA-N 280.372 1.243 0 50 CDAA C[C@H](N)[C@H]1CCN(c2ncc(C(N)=O)cc2Cl)C1 1875280731 GTWMFLORWCOCNN-YUMQZZPRSA-N 268.748 1.007 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1cnn(C(C)C)c1 859125926 CZJFCRSBNCQMSS-UHFFFAOYSA-N 250.302 1.047 0 50 CDAA CCn1cc(CN2CCc3ccccc3[C@@H]2C(=O)O)nn1 903707590 ZNSOGYKHKVXZSM-CQSZACIVSA-N 286.335 1.482 0 50 CDAA Cc1ccnc(-c2noc(CN3CCOC3=O)n2)c1 923816377 FUWSUBNTQWDSJG-UHFFFAOYSA-N 260.253 1.392 0 50 CDAA Cc1cnn(C)c1CN1CCOc2cccnc2C1 1776008146 CVHPTPPJVDGEBL-UHFFFAOYSA-N 258.325 1.518 0 50 CDAA CC(C)[C@@](C)(NCc1ccc2c(c1)COC2)C(N)=O 839007328 GLBXTTZMQQXNJK-OAHLLOKOSA-N 262.353 1.706 0 50 CDAA OC[C@@H]1C[C@H](O)CN1C[C@@H]1CCC2(CCCCC2)O1 225528280 ONVICQYWLIWPIY-IHRRRGAJSA-N 269.385 1.296 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)[C@H]1Cc2ccccc21 129445135 HPXKGKAIZAHIJJ-AAEUAGOBSA-N 275.304 1.028 0 50 CDAA CCN1CCN(CCOc2ccccc2Cl)C(=O)C1=O 32498062 JCJNDPMSQSWYDH-UHFFFAOYSA-N 296.754 1.410 0 50 CDAA Cc1cc(C)c(OCC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)c(C)c1 295143844 BXOGUFFWJVTWIU-NHAGDIPZSA-N 274.364 1.325 0 50 CDAA c1cn2c(n1)CC[C@@H](CN[C@@H]1CCCSC1)C2 328629914 ITVLCRBBLGIBMM-NWDGAFQWSA-N 251.399 1.931 0 50 CDAA O=C(O)[C@@H](NC(=O)N1CCC(F)CC1)c1ccccc1 426444680 RZUSVHBMUIVVHX-LBPRGKRZSA-N 280.299 1.956 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cnccc1C 692355234 BPTVUZOYHGNACR-AWEZNQCLSA-N 278.308 1.096 0 50 CDAA CN(c1cnc2ccccc2n1)[C@H]1C[C@@H](C(=O)O)C1 693000243 CPSOOATUWVUYDT-AOOOYVTPSA-N 257.293 1.929 0 50 CDAA C[C@H]1C[C@@H](C(=O)Nc2cncc(C(=O)O)c2)CCO1 833589864 NBSDXFMBLBHADG-IUCAKERBSA-N 264.281 1.533 0 50 CDAA O=C(O)C(C[C@@H]1COc2ccccc2O1)C(=O)O 3644712 LLURXEPIGQJFOJ-SSDOTTSWSA-N 252.222 1.002 0 50 CDAA biogenic CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCNC1)C(=O)O 15446416 GETPKHLMTQAZSX-ZJUUUORDSA-N 272.345 1.354 0 50 CDAA O=C(Cn1nnc(C2CC2)n1)OC[C@@H]1C=CCCC1 2325774738 OMTXQBMCXQXNSD-SNVBAGLBSA-N 262.313 1.450 0 50 CDAA CC1(C(=O)O)CN(C(=O)c2cnc(-c3ccccc3)cn2)C1 2325817123 OUMFLXCWKJYWNS-UHFFFAOYSA-N 297.314 1.690 0 50 CDAA NC(=O)[C@H](F)C1CCN(C(=O)c2ccccc2)CC1 913119176 WICOCAPNZOZGGI-GFCCVEGCSA-N 264.300 1.362 0 50 CDAA O=C(Cc1ccc(Cl)cc1)NC1(C(=O)O)CCOCC1 131772208 YZOKOJYOJHLDSW-UHFFFAOYSA-N 297.738 1.633 0 50 CDAA CCOC(=O)c1cc(O)c(C(=O)OCC)cc1O 226153 UQOUOXLHXPHDHF-UHFFFAOYSA-N 254.238 1.451 0 50 CDAA biogenic O=C(CNC(=O)C1CCCCC1)Nc1nncs1 236338 WAKHOXLQSPCMDW-UHFFFAOYSA-N 268.342 1.173 0 50 CDAA NC(=O)C1(N2CCCC2)CCN(Cc2ccccc2)CC1 393554 LVKUSLBPUHAEAQ-UHFFFAOYSA-N 287.407 1.602 0 50 CDAA Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1 1683198 LLBKEUTWJFQRJU-UHFFFAOYSA-N 292.360 1.506 0 50 CDAA CCCCCOC(=O)c1ccc2c(c1)C(=O)NC2=O 3157517 MBECTZLVCQOLGG-UHFFFAOYSA-N 261.277 1.917 0 50 CDAA Cc1ccc2[nH]cc(CCNS(C)(=O)=O)c2c1 4487674 LBWXYTRDIKEYJO-UHFFFAOYSA-N 252.339 1.568 0 50 CDAA Cc1ccc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)cc1 4754835 WDRSZRHDEAKKSX-LLVKDONJSA-N 284.406 1.469 0 50 CDAA CSCc1noc(Cc2c(C)nn(C)c2C)n1 225589926 PWSUKFVUJHQAHI-UHFFFAOYSA-N 252.343 1.874 0 50 CDAA Cc1ccc(N2C(=O)C[C@@H](n3ccnc3)C2=O)cc1 100628339 DMBRXPFZCNQRBN-GFCCVEGCSA-N 255.277 1.696 0 50 CDAA Cn1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)O)C2)n1 111472679 VAUWZUIHQXBVHZ-RKDXNWHRSA-N 251.286 1.250 0 50 CDAA CCCCNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10328107 ITJKHHCOSBKMJM-UHFFFAOYSA-N 284.381 1.896 0 50 CDAA Cc1ccc(OCC(=O)NCCCN(C)C)c(C)c1 9907322 YUKWAMURUDXKPP-UHFFFAOYSA-N 264.369 1.750 0 50 CDAA Cc1noc2ccc(CN3CCN(C)[C@@H](C(=O)O)C3)cc12 106685989 YOIIWUGKLNTYQW-CYBMUJFWSA-N 289.335 1.337 0 50 CDAA CN1CCN(Cc2ccc(F)cc2)C[C@@H]1CCO 20780638 XWSLHIHKHPCHTJ-AWEZNQCLSA-N 252.333 1.324 0 50 CDAA CSC[C@H](C)C(=O)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 421638124 ABTXGDHYUBBIBE-FXQIFTODSA-N 298.330 1.108 0 50 CDAA CSCCC(=O)NCCCn1ccccc1=O 60792269 CGYSUBGXZHFFTN-UHFFFAOYSA-N 254.355 1.108 0 50 CDAA O=C(COc1ccccc1F)NCc1ccncc1 20508195 FGUAJOJNZKETNN-UHFFFAOYSA-N 260.268 1.916 0 50 CDAA C[C@@H](C1CCCCC1)n1c(CCCO)n[nH]c1=O 65467767 LLQNINHYMDRWPZ-JTQLQIEISA-N 253.346 1.638 0 50 CDAA Cc1nc(N(C)C)nc(N(C)CCn2cccn2)c1C 65387257 ZEIVGGLUUAAWBP-UHFFFAOYSA-N 274.372 1.492 0 50 CDAA Cc1cnn([C@@H]2CCN(c3ncnc4n[nH]cc34)C2)c1 357829921 SROHVOUSLRINAU-SNVBAGLBSA-N 269.312 1.309 0 50 CDAA CCOc1c(CN[C@@H]2CCCNC2)cccc1OC 67841687 UBNGIDBNTKDDJB-CYBMUJFWSA-N 264.369 1.936 0 50 CDAA C[C@H]1C[C@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)CCN1 423626587 SPULIWDFVKLGQB-GXTWGEPZSA-N 298.390 1.871 0 50 CDAA Cc1nc(C)n(C[C@@H]2CCCN2[C@@H]2C[C@@H](C)OC2=O)n1 229481272 OMOJYMRVMFWECF-JIMOISOXSA-N 278.356 1.063 0 50 CDAA Cc1ccc2nc(-c3nc4c([nH]3)CCCNC4=O)cn2c1 65530480 SPJRJQUKLJIIBS-UHFFFAOYSA-N 281.319 1.709 0 50 CDAA C[C@@H]1CCCCN1CCNc1nccnc1N(C)C 302187956 JIGFHHUJDMTWKR-GFCCVEGCSA-N 263.389 1.829 0 50 CDAA Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 89763 JLKIGFTWXXRPMT-UHFFFAOYSA-N 253.283 1.366 0 50 CDAA biogenic,fda CCOC(=O)n1c(SCC(N)=O)nc2ccccc21 62487 WDRGLUQNHPFXCJ-UHFFFAOYSA-N 279.321 1.618 0 50 CDAA NCc1noc(C(=O)N[C@H]2CCCc3ccccc32)n1 34924903 HDKIXRPNAMOHCV-NSHDSACASA-N 272.308 1.336 0 50 CDAA CCOc1ccc(C(=O)N(C)C[C@@H]2CCCO2)cn1 122681399 NDDJDWDMJVKBJE-LBPRGKRZSA-N 264.325 1.731 0 50 CDAA 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CDAA CN1C[C@@H](CN2CCN(c3ccccn3)CC2)CCC1=O 1772815851 ZXDJPWAZTRDSPD-AWEZNQCLSA-N 288.395 1.072 0 50 CDAA Cc1cc(CNC(=O)c2ccccc2-c2ncn[nH]2)[nH]n1 19112326 ULKXHKABQLAYFP-UHFFFAOYSA-N 282.307 1.433 0 50 CDAA Cc1ccsc1CCNC(=O)[C@H]1COC(=O)[C@H]1C 19113109 CKZSDWYUTIGIPU-UWVGGRQHSA-N 267.350 1.524 0 50 CDAA CC(C)c1cc(C(=O)NCCc2cscn2)n(C)n1 19220279 XDAZZQVGEIHVED-UHFFFAOYSA-N 278.381 1.973 0 50 CDAA O=C(NCCNc1ccc(-n2cccn2)nn1)c1ccco1 19924292 OSPODVHANLCSST-UHFFFAOYSA-N 298.306 1.097 0 50 CDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCCN2)c(C)c1 237323732 DCJVVZKHYVQHOX-LBPRGKRZSA-N 298.408 1.424 0 50 CDAA NC(=O)C1(NC(=O)c2ccc3ccccc3c2)CC1 119739272 MJAHDYZDSCFZPA-UHFFFAOYSA-N 254.289 1.588 0 50 CDAA Cc1nn(C)c(C)c1CNC(=O)Nc1ccc(F)cn1 122633870 YHFQKJMEEWDXBZ-UHFFFAOYSA-N 277.303 1.893 0 50 CDAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cscn1 247808160 BATHMLAAALESGW-MPKXCIJOSA-N 280.349 1.461 0 50 CDAA C[C@H](NC(=O)c1cnc(NC2CC2)s1)[C@@H]1CCOC1 900839780 FSNUTZRDPUNZKG-DTWKUNHWSA-N 281.381 1.872 0 50 CDAA c1nc(N2CC(n3cncn3)C2)c2ccsc2n1 812474694 WKSHAXYAARJSIC-UHFFFAOYSA-N 258.310 1.344 0 50 CDAA Cc1cccn2cc(C(=O)N3CCN(C4CC4)C(=O)C3)cc12 928995931 MVBLWQMARYPWKO-UHFFFAOYSA-N 297.358 1.695 0 50 CDAA O=C(CSc1nc(O)cc(=O)[nH]1)c1ccccc1 3173091 YLSXMYJFGLVVEP-UHFFFAOYSA-N 262.290 1.451 0 50 CDAA CCOc1ccnc(NCCN2CCCOC2=O)n1 65460048 INYIMCBIIYOIHH-UHFFFAOYSA-N 266.301 1.130 0 50 CDAA CC[C@H](C(=O)O)N1CCC(OC[C@H]2CCCCO2)CC1 191423572 AXTZNPMJOOELFL-ZIAGYGMSSA-N 285.384 1.900 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)[C@@H]2CCCOC2)cn1 192992956 FLVFKTFITIMUQO-SECBINFHSA-N 281.312 1.068 0 50 CDAA O=C(NCc1ccccc1)c1ccnc2[nH]cnc12 342549414 VTIXMADNVUKNDE-UHFFFAOYSA-N 252.277 1.888 0 50 CDAA CN(C(=O)Cc1cccc(F)c1F)[C@H]1C[C@@H](C(=O)O)C1 659230378 JQLUZGYPVTVHFE-AOOOYVTPSA-N 283.274 1.829 0 50 CDAA Cc1noc(C)c1C(=O)N(C)[C@H]1C[C@@H](C(=O)O)C1 659227620 VIMNGXKBUFYTBG-DTORHVGOSA-N 252.270 1.227 0 50 CDAA CN(C(=O)c1nn[nH]c1Cl)C1(c2cccnc2)CC1 2325803729 YGDRXWJMZLHOMA-UHFFFAOYSA-N 277.715 1.614 0 50 CDAA C=CC(=O)NCc1cccc(N2CCCS2(=O)=O)c1 863971155 HCLXFKUZXJEVJB-UHFFFAOYSA-N 280.349 1.029 0 50 CDAA CCc1ccc([C@@H](C)C(=O)N[C@@H]2CCN(C(N)=O)C2)cc1 114365008 ZNJHBODTEKZYHM-BXUZGUMPSA-N 289.379 1.622 0 50 CDAA COc1cc(C(=O)N[C@@H]2CCCNC2)cc(OC)c1OC 817 YSIITVVESCNIPR-LLVKDONJSA-N 294.351 1.194 0 50 CDAA investigational CC(=O)Nc1ccccc1OC(=O)N1CCOCC1 152089 MVRVPKUPXMDFTK-UHFFFAOYSA-N 264.281 1.476 0 50 CDAA CN(C)c1nc(Nc2nc3ccccc3[nH]2)nc(N(C)C)n1 182153 NBFSCDDMMUTGHS-UHFFFAOYSA-N 298.354 1.624 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@H](c2ccccc2F)S1 240254 YMKNZFZCDNKOEG-NSHDSACASA-N 281.312 1.827 0 50 CDAA O=C1[C@H](Cc2cnc[nH]2)NC(=S)N1c1ccccc1 403545 BANMZNRKVSFJBK-NSHDSACASA-N 272.333 1.242 0 50 CDAA Cc1cccc(NC(=O)CSc2nnnn2C)c1 421096 XLDQHLCWHKDTCZ-UHFFFAOYSA-N 263.326 1.249 0 50 CDAA CS(=O)(=O)N(CC(N)=O)c1ccc(Cl)c(Cl)c1 858523 GSIKCHWWCFXIRW-UHFFFAOYSA-N 297.163 1.245 0 50 CDAA O=C(NCCO)c1ccc2[nH]c3c(c2c1)CCCC3 1827356 WXFKWQAZHFKCKO-UHFFFAOYSA-N 258.321 1.769 0 50 CDAA biogenic Cc1ccc(NCC(P(=O)(O)O)P(=O)(O)O)cc1 2224183 HHHYSJINAKBFKA-UHFFFAOYSA-N 295.168 1.088 0 50 CDAA CC1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 2835791 AIQFWGHZZVQUGY-UHFFFAOYSA-N 296.392 1.223 0 50 CDAA CN1CCC[C@@H](N(C)S(=O)(=O)c2ccsc2)C1 351943896 IQVBDLWJGGYCNJ-SNVBAGLBSA-N 274.411 1.463 0 50 CDAA CC[n+]1c(S(=O)(=O)O)ccc2cc(OC)ccc21 3161190 SNYBPVAOYHCTNZ-UHFFFAOYSA-O 268.314 1.403 0 50 CDAA COC(=O)[C@H](NC(C)=O)C12CC3CC(CC(C3)C1)C2 3900407 NUFUJKOZSWXFGR-MFORYBBRSA-N 265.353 1.881 0 50 CDAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(O)c1 4425504 LOBCDGHHHHGHFA-GFCCVEGCSA-N 292.360 1.748 0 50 CDAA in-vitro O=C(NCCCNC(=O)c1cccnc1)c1ccccc1 4487313 DYDIJPSCJHUIEV-UHFFFAOYSA-N 283.331 1.632 0 50 CDAA CCc1cccc2c(CCNC(=O)c3nc(=O)[nH][nH]3)c[nH]c12 111646607 IYSYYGWLTFGCOD-UHFFFAOYSA-N 299.334 1.114 0 50 CDAA Cc1nsc(NC(=O)N[C@@H](C)c2ccncn2)n1 55403137 CCEDCJQRIWUZIN-LURJTMIESA-N 264.314 1.519 0 50 CDAA Cc1ccc(N(CCCC(=O)O)S(C)(=O)=O)cc1 113873493 BOXBPNGVHYAHEQ-UHFFFAOYSA-N 271.338 1.626 0 50 CDAA C[C@H](CCc1ccccc1)NCCSc1nnnn1C 65528383 RBOFTIHGTFBXMA-GFCCVEGCSA-N 291.424 1.913 0 50 CDAA CCCO[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 62226824 POAIJACIHCQNLV-LBPRGKRZSA-N 288.351 1.989 0 50 CDAA CCN(CCN1CCOCC1)Cc1cccc2c1OCO2 65371586 CAAQFMYKPORZBA-UHFFFAOYSA-N 292.379 1.569 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 219725064 ZCBQZJJJWIUUHW-BJJXKVORSA-N 299.374 1.830 0 50 CDAA CN(CCC(=O)O)C(=O)/C=C/c1ccc2c(c1)OCCO2 328595587 YRCFNBPJDKADQP-HWKANZROSA-N 291.303 1.404 0 50 CDAA CCc1nn(C)cc1CN[C@H]1CCO[C@@H]1c1nccn1C 328653971 XDHRDLHOLRWREV-KBPBESRZSA-N 289.383 1.336 0 50 CDAA COC(=O)c1ccc(-c2nc(Cn3ccnn3)co2)cc1 128057872 NMNDEIZSHQOPTQ-UHFFFAOYSA-N 284.275 1.768 0 50 CDAA COc1ccc([C@H](C)NC(=O)c2n[nH]nc2C)cc1F 188461885 HAZJPEFRPMHPFG-ZETCQYMHSA-N 278.287 1.752 0 50 CDAA CC(C)c1nccc(CN2CCC[C@]3(CNC(=O)O3)C2)n1 72433403 WEJUYNNXYFKNNE-HNNXBMFYSA-N 290.367 1.674 0 50 CDAA C[C@@H]1OCCN(C(=O)c2cccc(OCC(=O)O)c2)[C@H]1C 262165278 PXXQPXRLGWWASF-QWRGUYRKSA-N 293.319 1.399 0 50 CDAA NC(=S)NCc1ccc(OC(F)(F)F)cc1 33818122 DPMRHKYLADRBQW-UHFFFAOYSA-N 250.245 1.918 0 50 CDAA Cc1cc(N[C@H]2CCC[C@H]2C(N)=O)n2nc(C)cc2n1 72447603 RUXJGLMFMDWYPB-MNOVXSKESA-N 273.340 1.412 0 50 CDAA CCc1ccccc1CC(=O)N1CC[C@](CO)(COC)C1 456745724 CPHOHTOHORVEQL-KRWDZBQOSA-N 291.391 1.649 0 50 CDAA c1ccc(CCCN2CCN(CCn3cncn3)CC2)cc1 77299134 AZOOEICESBNTJK-UHFFFAOYSA-N 299.422 1.529 0 50 CDAA O=C(N1CCC(OC2CCCCC2)CC1)[C@@]1(O)CCOC1 334051394 SASXNZMKDKVORM-MRXNPFEDSA-N 297.395 1.478 0 50 CDAA Cc1cccc([C@@H](NC(=O)[C@@H]2CCCO2)C(=O)O)c1C 263049294 NUQXFTZMVVKGTK-QWHCGFSZSA-N 277.320 1.724 0 50 CDAA O=C1C[C@@]2(CCN(C(=O)C3(C4CCC4)CCC3)C2)CN1 335250577 BYHYLXYIABCAJR-HNNXBMFYSA-N 276.380 1.695 0 50 CDAA CN(C(=O)CCc1ccc(Cl)s1)[C@@H]1CCNC1=O 340449549 DJRUEXDLKUFVAE-SECBINFHSA-N 286.784 1.681 0 50 CDAA O=C1CN(C(=O)Nc2ccc(-c3ccccn3)cc2)CCN1 336578475 RWYDZKKPELKVRE-UHFFFAOYSA-N 296.330 1.712 0 50 CDAA O=C(NCCc1nc(Cc2ccccc2)no1)c1cnc[nH]1 223307628 VEDZSKIEXZNUBH-UHFFFAOYSA-N 297.318 1.356 0 50 CDAA CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N 241338595 MCDGYWJSCHSQSK-QSLWVIQJSA-N 266.385 1.387 0 50 CDAA NC(=O)CCn1cnc2cc(C(F)(F)F)ccc2c1=O 43131362 GXVROVFQQLAGQL-UHFFFAOYSA-N 285.225 1.291 0 50 CDAA CN1C[C@@H](NC(=O)CCc2ccc(F)cc2)CCC1=O 133693488 GCCOTKPMVJNIEX-ZDUSSCGKSA-N 278.327 1.495 0 50 CDAA CCCCc1nc(CN2C[C@H](O)[C@@H](OCC)C2)c[nH]1 223019171 ZTAXDIQNSBIQCQ-STQMWFEESA-N 267.373 1.334 0 50 CDAA c1nc([C@@H]2CCOC2)cc(N2CCSCC2)n1 426425098 AWEFRGRFERSKCX-SNVBAGLBSA-N 251.355 1.534 0 50 CDAA CNC[C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 178992168 DLTKTBQPEBUIHO-QAVQXKDTSA-N 263.316 1.302 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(Cl)c[nH]1 222582097 IOTRVYNNLRXYLY-SPFNVWMYSA-N 284.743 1.448 0 50 CDAA Cc1ccnc(CNC(=O)N2CCOCC(F)(F)C2)c1 297226863 FNLATOZAJYQYHY-UHFFFAOYSA-N 285.294 1.567 0 50 CDAA CC(C)c1cc(CN(C)C(=O)N[C@@H](C)CC(=O)O)no1 426574671 FNXLGYBYUVSQIE-VIFPVBQESA-N 283.328 1.803 0 50 CDAA O=C(Nc1ccc2nncn2c1)c1ccc2nccn2c1 180688851 QRXVKNULCAPTMK-UHFFFAOYSA-N 278.275 1.629 0 50 CDAA O=C(O)CCNC(=O)c1ccn(-c2ccc(F)cc2)n1 238191322 MPIPDBPXMNYMLI-UHFFFAOYSA-N 277.255 1.216 0 50 CDAA CC(C)c1nnsc1CNC(=O)[C@H]1CCCCN1C 97347462 FNGHZGWLDBGKKR-SNVBAGLBSA-N 282.413 1.762 0 50 CDAA Cc1cc(CC(=O)N2Cc3nnc(C)n3[C@@H](C)C2)on1 96149550 NAZLRIQNCUMFEH-VIFPVBQESA-N 275.312 1.029 0 50 CDAA Cc1cc(=O)c2cccc(C(=O)N3CC[C@H](N(C)C)C3)c2[nH]1 97657225 VFADRZCDUZGDSR-LBPRGKRZSA-N 299.374 1.613 0 50 CDAA CC(=O)N1CCO[C@H](CNc2nnc(C(C)(C)C)o2)C1 95367183 KZMUJSCWYPYOEP-SNVBAGLBSA-N 282.344 1.026 0 50 CDAA Nc1ccnc(CC[C@@H]2COc3ccccc3O2)n1 244874257 WXMZKCCBNIWUOU-SNVBAGLBSA-N 257.293 1.831 0 50 CDAA CC(C)n1ccc(C(=O)NCC[C@H]2CCOC2)n1 344275286 RHDPEGUONXVTBY-NSHDSACASA-N 251.330 1.620 0 50 CDAA CCC1=NO[C@H](CN2CCC(n3cnnc3)CC2)C1 244742008 OALAVKOXXNUOLQ-ZDUSSCGKSA-N 263.345 1.470 0 50 CDAA Cn1cc([C@@H](Nc2ccncc2F)[C@H]2C[C@@H](O)C2)cn1 243932479 BVSAJYQJINHPAI-PXWWUCIGSA-N 276.315 1.878 0 50 CDAA COc1ccc(CNC(=O)C2CCOCC2)cc1C(=O)O 299753134 WYHCYLMMVVMPQI-UHFFFAOYSA-N 293.319 1.436 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@H]([C@@H](C)N)C2)cn1 299738821 GWEGYSOPVGKASS-OCCSQVGLSA-N 261.369 1.518 0 50 CDAA COC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(C(F)F)n1 341492610 GEYHSVKMFHVFEK-SECBINFHSA-N 287.266 1.364 0 50 CDAA Cc1cc(C(=O)NC/C=C/CO)c(C)n1[C@H]1CCOC1 628060882 YWRMYYWIELHYEO-OOPCZODUSA-N 278.352 1.345 0 50 CDAA C[C@H]1[C@H](N(C)[C@H](C)c2ccccc2)CS1(=O)=O 251974335 CZIHGSQIHZLMGD-NTZNESFSSA-N 253.367 1.865 0 50 CDAA Cc1ccc(C)n1CC(=O)NCCc1ccccn1 253399547 DAWBIXSCTYLRFQ-UHFFFAOYSA-N 257.337 1.859 0 50 CDAA CC[C@@H](NC(=O)N(C)Cc1ncon1)c1ccnn1C 534673003 DHZLUEGBUWDUCP-SECBINFHSA-N 278.316 1.096 0 50 CDAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1ccccc1=O 298641034 JKMHORPJSQZJES-FRRDWIJNSA-N 262.353 1.789 0 50 CDAA C1CCN(CCC2CCN([C@@H]3CCOC3)CC2)C1 820430486 KLLLQKNFMJOKGC-OAHLLOKOSA-N 252.402 1.973 0 50 CDAA Cc1cc(CNC(=O)[C@@H](C)Cn2cncn2)ccc1F 827627972 CTBNRRQDLUPQQN-NSHDSACASA-N 276.315 1.678 0 50 CDAA CCCc1ccc(CN2CCC3(CC2)NC(=N)NC3=O)o1 823010924 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Cc1[nH]nc2c1CCCN2CCc1nnn(C(C)(C)C)n1 934313203 UCSGJFSNRRHLBO-UHFFFAOYSA-N 289.387 1.455 0 50 CDAA CCN(Cc1nc(C)no1)C(=O)c1ccc(N)nc1 220425151 ZNGRNLYDZJHVDA-UHFFFAOYSA-N 261.285 1.018 0 50 CDAA CNS(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 12930497 QVZZPLUMZMFSFP-UHFFFAOYSA-N 268.338 1.333 0 50 CDAA Cc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)O)nn1 257679796 JCYIDFGPFCRBPG-SNVBAGLBSA-N 263.297 1.254 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)c2ccccc21 157705875 NUXINHAYSMSJQY-YPMHNXCESA-N 275.304 1.771 0 50 CDAA CC[C@@H](C(=O)O)N1CCO[C@H](c2cccc(OC)c2)C1 263575263 OUCIEDAUVJKTCW-KBPBESRZSA-N 279.336 1.932 0 50 CDAA COCC1(CNc2nc(OC)cc(OC)n2)CCC1 286287818 CYMIMHYORMEXJN-UHFFFAOYSA-N 267.329 1.722 0 50 CDAA C[C@H](CCc1ccccc1)NCCN(C)S(C)(=O)=O 65465337 BBSKLCWWAHUFOH-CYBMUJFWSA-N 284.425 1.489 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2N[C@H]1CCOC1 400407043 RYTACOJJKPJTML-NOOOWODRSA-N 268.357 1.373 0 50 CDAA Cc1c(N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cnn1C 408069694 FSGZVSDHSNVJGB-MNOVXSKESA-N 271.386 1.496 0 50 CDAA Cc1cncc(C(=O)N2CCC3(CC2)CNC(=O)C3)c1 77469815 AMDSIFHDAISQHB-UHFFFAOYSA-N 273.336 1.132 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](CN2CCCC2)C1 328596056 PRLPGJVGDMFGTF-MGPQQGTHSA-N 265.401 1.058 0 50 CDAA C[C@@H]1CC(NC[C@H]2CCc3nccn3C2)C[C@@H](C)O1 328646215 SNLZTCFUDHKOBY-JHJVBQTASA-N 263.385 1.991 0 50 CDAA C[C@@]1(C(=O)O)CCN(Cc2cccc3nsnc23)C1 828029292 XVSCRIRKIRNLLQ-CYBMUJFWSA-N 277.349 1.988 0 50 CDAA CO[C@]1(CO)CCCN(C[C@H](O)c2ccc(C)cc2)C1 852412113 NWYSCLNKSJNEDA-JKSUJKDBSA-N 279.380 1.502 0 50 CDAA Cn1cnnc1SCC(=O)N1CCCc2ccccc21 52914 VEJDPDTYTCDFGA-UHFFFAOYSA-N 288.376 1.887 0 50 CDAA CCn1cc(CS(=O)(=O)Cc2conc2C(C)C)nn1 2325770657 UDRQYBUEHVLICM-UHFFFAOYSA-N 298.368 1.524 0 50 CDAA CO[C@@H](C(=O)NC[C@H]1CCN(C(=O)C(C)(C)C)C1)C(C)C 1415337796 MOCQWHXLRJRUAK-CHWSQXEVSA-N 298.427 1.668 0 50 CDAA O=C(O)[C@@H](C(=O)NCC(F)(F)C1CCOCC1)C1CC1 2325810127 XZKLHDVGYKHGNE-SNVBAGLBSA-N 291.294 1.275 0 50 CDAA O=C(Cn1nnc2ccccc21)OCC(=O)c1ccccc1 309553 QKCMLYKPGOGZJK-UHFFFAOYSA-N 295.298 1.857 0 50 CDAA CCOC(=O)c1c(NC(=O)CC)sc(C(N)=O)c1C 369193 CARSKKYVEQCAQS-UHFFFAOYSA-N 284.337 1.681 0 50 CDAA [O-][n+]1c2ccc3nonc3c2nn1-c1ccccc1Cl 378417 CICNAWVEVBEDLO-UHFFFAOYSA-N 287.666 1.849 0 50 CDAA CCOC(=O)C(OCc1ccccc1)C(=O)OCC 1872870 YNLVMCVYVLXNGG-UHFFFAOYSA-N 266.293 1.698 0 50 CDAA CCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 2053108 LGZSXTHPECFWFA-UHFFFAOYSA-N 270.354 1.723 0 50 CDAA biogenic COCCNC(=O)c1cc2cccc(OC)c2oc1=O 2076167 DNYFCZCNNULKMB-UHFFFAOYSA-N 277.276 1.178 0 50 CDAA Cc1nnc2n1[C@H](C)C(=O)N(CCc1ccccc1)C2 2356152880 FTVGCXGPKSIOHE-LLVKDONJSA-N 270.336 1.732 0 50 CDAA C[C@H]([C@H]1COc2ccccc2O1)N1C(=O)CCC1=O 2937011 RHIHVJMIDLYLCI-BXKDBHETSA-N 261.277 1.364 0 50 CDAA CCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 4237904 KWBZJFGNEJPPKS-YPMHNXCESA-N 263.293 1.689 0 50 CDAA COc1cc(S(=O)(=O)n2ccnc2C)c(OC)cc1C 4386136 GQDVHQQPTXCHDP-UHFFFAOYSA-N 296.348 1.754 0 50 CDAA CCN1C(=O)/C(=C/c2cc(OC)ccc2OC)NC1=S 4845705 ZNVRWRQOVCPWIE-FLIBITNWSA-N 292.360 1.781 0 50 CDAA NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)cs1 6678621 DQRVDVWXQOEYPN-UHFFFAOYSA-N 282.346 1.648 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)C(=O)Nc1ccccn1 58965508 LVHYLZUZUCZBOA-LLVKDONJSA-N 281.315 1.998 0 50 CDAA CN1C(=O)[C@]2(NC(=O)c3ccccc3O2)c2ccccc21 9164629 OZPNYAHEDUKMPF-INIZCTEOSA-N 280.283 1.638 0 50 CDAA biogenic CCN1CCCC[C@@H]1CNS(=O)(=O)CC1CCCC1 178337726 BHICFHPYEBEYEQ-CQSZACIVSA-N 288.457 1.970 0 50 CDAA O=C(NCCN1CCOCC1)c1nc2ccccc2s1 22473359 COCAATAUWWIPGS-UHFFFAOYSA-N 291.376 1.358 0 50 CDAA Cc1ccc2[nH]nc(CN(C)C[C@H]3COCCO3)c2c1 23340224 VQLMLFMXVJGQLQ-LBPRGKRZSA-N 275.352 1.719 0 50 CDAA Cc1nc(C(=O)NCCc2nncn2C(C)C)cs1 65422162 PPYKINLHEGBHCJ-UHFFFAOYSA-N 279.369 1.596 0 50 CDAA CC(C)c1cc(C(=O)N2CCC(O)(CO)CC2)cs1 67490883 HKLIVXRUGXLCIP-UHFFFAOYSA-N 283.393 1.831 0 50 CDAA Cn1ccc(CCc2nc(-c3ccc4c(c3)OCO4)no2)n1 350511814 OXZLDEMBOLBZBE-UHFFFAOYSA-N 298.302 1.984 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CCO1 250807570 CSQDSKJPUMNYJC-DCQANWLSSA-N 267.325 1.125 0 50 CDAA CCCN1CCC(NC(=O)c2cn(C(C)(C)C)nn2)CC1 252487923 IEVBOVFTDSHLEI-UHFFFAOYSA-N 293.415 1.637 0 50 CDAA CCCNc1ncc(CN(C)C[C@H]2COCCO2)cn1 216505545 OPZDHQYBVGMXHQ-ZDUSSCGKSA-N 280.372 1.146 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C1 252656860 WHCRXIZNAZMHBA-MRRJBJDNSA-N 285.343 1.824 0 50 CDAA O=C(C[C@@H]1C=CCC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 229562695 YJBVQZBEMNUPMY-ILXRZTDVSA-N 278.396 1.400 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCN(CC(C)C)C1 177283373 NXSOEYLWHASXLL-CQSZACIVSA-N 292.427 1.663 0 50 CDAA CN(C)C(C)(C)CNC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230101786 MJZJAAIRQXMNAI-XQQFMLRXSA-N 283.416 1.583 0 50 CDAA O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1cnc2[nH]c(=O)[nH]c2c1 253428928 LSUBWRYSECTHHA-GUBZILKMSA-N 286.335 1.417 0 50 CDAA Cc1nc(CCN2C(=O)N[C@]3(CCSC3)C2=O)cs1 156582460 BPBQKRBUZFCQAG-LBPRGKRZSA-N 297.405 1.422 0 50 CDAA CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccccc2)C1 257366039 HFWSWMJAPFITPE-YPMHNXCESA-N 268.382 1.305 0 50 CDAA O=C(O)C[C@@H](NC(=O)C1CCCC1)c1ccccn1 257673642 JDAVVIWOFRTHED-GFCCVEGCSA-N 262.309 1.904 0 50 CDAA O=C(c1cccc(CO)c1)N1CCC[C@H]1Cn1ccnc1 365893190 GIVRIKCPWOQWBV-HNNXBMFYSA-N 285.347 1.680 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NCC1(N2CCCCC2)CCOCC1 363513798 IPILCFGOZCLCLF-ZIAGYGMSSA-N 280.412 1.794 0 50 CDAA O=C(NCCSc1cn[nH]n1)c1ccc(Cl)cn1 71760264 QSGDVCWHMDRPEW-UHFFFAOYSA-N 283.744 1.375 0 50 CDAA C[C@H](N)CC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 261890410 TUDQPUNPRPHYHK-WCQYABFASA-N 292.354 1.984 0 50 CDAA O=C(c1cc2nccnc2cc1F)N1C[C@@H](F)C[C@H]1CO 332015372 RYGFOAOPOGBWFV-IUCAKERBSA-N 293.273 1.314 0 50 CDAA Cc1cc[nH]c1C(=O)NC[C@H]1CCCN(c2ncccn2)C1 373901747 CTLCOPIBXUSJFD-CYBMUJFWSA-N 299.378 1.760 0 50 CDAA CC(C)[C@@H](O)C(=O)N(C)C1CCN(c2ccncc2)CC1 375691109 VXRRQAKZTSPMIF-OAHLLOKOSA-N 291.395 1.526 0 50 CDAA Cc1csc2ncn([C@@H](CO)C(C)C)c(=O)c12 32537371 SSRSTOURRROKAB-VIFPVBQESA-N 252.339 1.956 0 50 CDAA Cc1nnc(N2CCC(c3nncn3C3CC3)CC2)o1 340012511 BEWWXFDSUVTFPV-UHFFFAOYSA-N 274.328 1.688 0 50 CDAA C[C@H]1C(=O)CC[C@@H]1CC(=O)NC[C@@H]1CCC[C@H]1O 333630388 BFLPKNZQZPPBMU-HNCHTBHHSA-N 253.342 1.269 0 50 CDAA CN1CCC[C@@H](C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 215431426 MGBCUHGBNCDBFB-CYBMUJFWSA-N 299.378 1.430 0 50 CDAA COC1(C(=O)N2C[C@H]3CCCC[C@H]3C2)CCOCC1 334262638 VOLQRMXNHSPSPC-BETUJISGSA-N 267.369 1.831 0 50 CDAA CCn1cncc1CN1CCN(C(=O)c2ccco2)CC1 417745141 NWJQWOBPBLWZRC-UHFFFAOYSA-N 288.351 1.454 0 50 CDAA CCc1cccc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)n1 456227278 PEMATFBDZMCVTR-BETUJISGSA-N 291.395 1.171 0 50 CDAA CC1(C)CC[C@@H](C(=O)N2CCC[C@]3(CCOC3)C2)O1 335040697 COBPWXYGCNXBFT-WFASDCNBSA-N 267.369 1.973 0 50 CDAA CCn1nncc1C(=O)N1CCOC2(CCCCC2)C1 340754435 MYAJOJUUOMWIAM-UHFFFAOYSA-N 278.356 1.473 0 50 CDAA COc1cccc(SCC(=O)NC[C@H]2CCOC2)c1 44519904 PULPIUILEKLWKL-LLVKDONJSA-N 281.377 1.940 0 50 CDAA Cc1cc(C)c(C(=O)N2CC[C@H](CO)C[C@@H]2C)[nH]1 336106050 NIERZLUOSUOODS-RYUDHWBXSA-N 250.342 1.865 0 50 CDAA O=C(Cc1c[nH]c2ncccc12)N[C@H]1C[C@@H](C(=O)O)C1 263337114 RANDVKOVNZIKHM-WAAGHKOSSA-N 273.292 1.085 0 50 CDAA Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cn1 47529350 VNYNGBHCEXRJMI-NSHDSACASA-N 284.319 1.412 0 50 CDAA O=C(NC1(C(=O)O)CCOCC1)c1cc2ccccc2o1 131711974 JJOCVLNVNFMXQC-UHFFFAOYSA-N 289.287 1.796 0 50 CDAA CCN(CCOC)C(=O)[C@H](C)n1cc(Cl)cn1 426612720 XGUOMRKXXXVDON-VIFPVBQESA-N 259.737 1.592 0 50 CDAA Cc1nc([C@H]2CCCN2C(=O)C2(C)CCN(C)CC2)n[nH]1 426563112 JOPXLAKVVYLTCK-GFCCVEGCSA-N 291.399 1.509 0 50 CDAA COCCOc1ccc(C(=O)N2CCC[C@@H](N)C2)cc1 178325414 BJRPFPAHVVLNGX-CYBMUJFWSA-N 278.352 1.275 0 50 CDAA Cc1[nH]nc2c1CN(C(=O)[C@H](C)n1ccnc1)CC2 426490303 MINXZDBWCPORNN-JTQLQIEISA-N 259.313 1.061 0 50 CDAA CCc1cc(C(=O)N[C@H](CC)C2CC(O)C2)cc(=O)[nH]1 223328708 LCOVAGOELFQUBV-UTVJUBTNSA-N 278.352 1.217 0 50 CDAA CC(=O)NCC1CCN(C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 82170984 PHJSFSUWBMSEBB-PMPSAXMXSA-N 290.407 1.963 0 50 CDAA COCC1(NC(=O)c2nnc3nc(C)ccn23)CCCC1 426440282 MNEIBUSQDJVERT-UHFFFAOYSA-N 289.339 1.122 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@H](CN)C1 426615120 JZYHPZQYAASOFG-JTQLQIEISA-N 288.317 1.975 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]2C[C@@H](O)[C@@H](O)C[C@H]2C1 97455246 WPLPYQYHVZXYLU-YFKTTZPYSA-N 271.357 1.375 0 50 CDAA Cc1nc[nH]c1C(=O)NCCc1cc(F)cc(F)c1 97815545 LSGGXBZAYYEVJZ-UHFFFAOYSA-N 265.263 1.969 0 50 CDAA O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccsc1)C1CC1 97529109 UCOFVZXRDAZRAS-LLVKDONJSA-N 299.417 1.674 0 50 CDAA O=C(NOCCC(F)(F)F)[C@@H]1COc2ccccc2O1 162769436 CWCSGRQOJCFRSX-JTQLQIEISA-N 291.225 1.827 0 50 CDAA Cc1ncnc(N2CCCN(C(=O)C3CCC3)CC2)c1C 91896479 SPSGQIKMNZZQJY-UHFFFAOYSA-N 288.395 1.932 0 50 CDAA Cc1nccn1C[C@H](C)CNC(=O)N1C[C@@H](C)OC[C@@H]1C 182550013 GZXNPXWMSWDAIP-FRRDWIJNSA-N 294.399 1.646 0 50 CDAA Cc1nc(CN2CC(N3CCCC[C@H]3C)C2)no1 244899882 ZSFJEQGYCDOLCM-SNVBAGLBSA-N 250.346 1.437 0 50 CDAA c1cnn(CC[C@@H]2CCCCN2CCn2cncn2)c1 244872855 WFOGDCRZPWKILQ-AWEZNQCLSA-N 274.372 1.419 0 50 CDAA COCCn1cnnc1CN(C)CCc1csc(C)n1 243901848 BETRFSCBSPAGTI-UHFFFAOYSA-N 295.412 1.364 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CCO1 299748474 HDRKMOQTIMWKLX-AGIUHOORSA-N 281.352 1.515 0 50 CDAA Cc1ccc2c(c1)c(CNC(=O)C1(C)COC1)nn2C 534637902 OIZUMOBPRSPNQN-UHFFFAOYSA-N 273.336 1.534 0 50 CDAA CNC(=O)c1cccnc1NCC1(N(C)C)CCCC1 534668538 BHXHKAIIRZBENO-UHFFFAOYSA-N 276.384 1.728 0 50 CDAA O=C(Nc1cnn2c1NCCC2)[C@@H]1CCn2nccc2C1 1940195159 GUMBNXJUONWIMB-SNVBAGLBSA-N 286.339 1.096 0 50 CDAA O=C(CCN1CCCC1=O)NCc1ccc2ncccc2c1 299777209 BGUQMDKKMMRRBT-UHFFFAOYSA-N 297.358 1.864 0 50 CDAA COc1cccc(C)c1NC(=O)NC[C@H]1COCCO1 299795120 JUMGRDLFLYKQAR-NSHDSACASA-N 280.324 1.541 0 50 CDAA CCCCS(=O)(=O)N[C@H](CC)Cn1ccnc1 822880445 RSWDJGUQWAOBCT-LLVKDONJSA-N 259.375 1.381 0 50 CDAA Cn1cccc1C(=O)N1CCC(O)(c2ccccn2)CC1 584884755 XRQDFUCMSBVJEX-UHFFFAOYSA-N 285.347 1.544 0 50 CDAA Cc1nc(CCN(C)C(=O)[C@@H]2CC(C(C)C)=NO2)no1 584903140 GEBHKJPSZHBNCW-NSHDSACASA-N 280.328 1.180 0 50 CDAA C[C@H]1Cc2cc(NC(=O)CN3CCCC3=O)ccc2O1 827831758 FOIJLZCQBIZMQQ-JTQLQIEISA-N 274.320 1.571 0 50 CDAA COc1cc(C)c(C)cc1S(=O)(=O)n1cnnc1 583645789 VGJSZCISNIKCDW-UHFFFAOYSA-N 267.310 1.141 0 50 CDAA CN(C[C@H]1CCOC1)C(=O)CCC(=O)N1CCCCCC1 670452435 FNFWZERRLMUBCJ-CQSZACIVSA-N 296.411 1.664 0 50 CDAA O=C(CCCN1CCCCC1=O)NCCC1(O)CCCC1 584897489 MGKRYWYQYCVXDV-UHFFFAOYSA-N 296.411 1.591 0 50 CDAA Cn1nccc1CN1CCOc2ccc(CO)cc2C1 670447716 DJXHJGLXXSSQBG-UHFFFAOYSA-N 273.336 1.307 0 50 CDAA CN1Cc2ccccc2C[C@H]1c1ncnn1CCCO 670457934 DZYJVIJJKSAJFN-AWEZNQCLSA-N 272.352 1.390 0 50 CDAA CCc1ccc(CN(C)C(=O)NCC[C@H](C)CO)nc1 670450748 NLERMEAQUVNDMG-LBPRGKRZSA-N 279.384 1.804 0 50 CDAA NC(=O)CCC(F)(F)C(F)(F)Br 64370265 ZHUQVHUBCOGAHZ-UHFFFAOYSA-N 252.005 1.875 0 50 CDAA in-vitro CN1CCN(c2cccc(-c3noc(C4CC4)n3)n2)CC1 546545469 UVAPUSQRIUKJII-UHFFFAOYSA-N 285.351 1.761 0 50 CDAA Cc1nc(CN2CCC[C@](C)(CO)C2)n(C)c1C 670455422 PPEUHWWSTSZZQZ-AWEZNQCLSA-N 251.374 1.631 0 50 CDAA Cc1ccccc1OC[C@@H]1CCCN(S(N)(=O)=O)C1 670450793 YHELTKDNKYCCIY-GFCCVEGCSA-N 284.381 1.289 0 50 CDAA CC(C)(C)OC(=O)NC[C@@H](C(=O)O)[C@H]1CCOC1 950756209 XSAYCMQVRXBLTE-DTWKUNHWSA-N 259.302 1.248 0 50 CDAA CC(=O)c1c(C)[nH]c(C(=O)NC2(CN(C)C)CC2)c1C 1875274855 OBCDBEYNCDWMBF-UHFFFAOYSA-N 277.368 1.658 0 50 CDAA CC(F)(F)c1noc(Cn2cnc3c(c2=O)CCCC3)n1 1875281981 IKFMMSBJJCIBDS-UHFFFAOYSA-N 296.277 1.665 0 50 CDAA COc1cccc(NC(=O)[C@H]2CCOC(=O)CC2)c1 1875288730 ZZCKJZOPQIUDPG-SNVBAGLBSA-N 263.293 1.977 0 50 CDAA O[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1N=c1cc[nH]cc1F 1875399518 YTVPGMIEFNTQMN-ZLKJLUDKSA-N 276.315 1.091 0 50 CDAA C[C@@H](N[C@@H](c1ccccc1)c1cnc[nH]1)c1cnnn1C 1875392536 HKJCDQWNIGILGP-ABAIWWIYSA-N 282.351 1.978 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)c1n[nH]c(C)c1Cl 1875300866 UBLVPBUWUXJLRR-UHFFFAOYSA-N 267.720 1.641 0 50 CDAA O=C(O)[C@H]1Cc2c[nH]nc2CN1CC1CCCCC1 1875318916 ZNXLYDJNOYETBL-CYBMUJFWSA-N 263.341 1.801 0 50 CDAA CC(C)(C)c1nnc2n1C[C@@H](C(=O)NC1CC1)CC2 1875326118 ATXMGSXOVYWJTG-VIFPVBQESA-N 262.357 1.417 0 50 CDAA O=C(N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O)c1ccc(F)o1 1875401051 RPNKBBPOFJMBGK-GMTAPVOTSA-N 293.298 1.185 0 50 CDAA CC(C)n1cc(CNC(=O)CCCC2CC2)c(O)nc1=O 952884085 WFFIVIWUEKFRGC-UHFFFAOYSA-N 293.367 1.726 0 50 CDAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC(F)(F)C1=O 72194235 GFVJRPGBYSFNTN-GFCCVEGCSA-N 297.301 1.886 0 50 CDAA in-vitro CCCN(C)CC(=O)N1CCOc2ccccc2[C@H]1CO 887109629 PGOSNQLHEUTWIR-CQSZACIVSA-N 292.379 1.283 0 50 CDAA CC(C(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)=C1CCCC1 888079465 UURFITDELRIOBG-BFHYXJOUSA-N 275.352 1.564 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1conc1C1CC1 888079221 MGJOBTDWJZRZRG-CQSZACIVSA-N 294.307 1.258 0 50 CDAA O=C([C@H]1C[C@@H](O)C1)N1CCc2ccc(O)cc2CC1 896089502 ASLNRWRVESSNIO-XBXGTLAGSA-N 261.321 1.090 0 50 CDAA Cc1cn(C(C)(C)C(=O)N2CCC(=O)N3CCC[C@H]32)cn1 888158400 HGMXPMKHEQMWDL-GFCCVEGCSA-N 290.367 1.107 0 50 CDAA CO[C@H]1CN(Cc2cc3ccccc3n2C)CCO1 895962475 IJKLZIUAFMFVRD-OAHLLOKOSA-N 260.337 1.983 0 50 CDAA CC(C)N1CC[C@H](N2CCC[C@H]([C@H](C)O)C2)C1=O 245338717 OAGOMHUBNQAPDY-AVGNSLFASA-N 254.374 1.089 0 50 CDAA CC(C)(C)O[C@H]1C[C@H](NC(=O)C2=NNC(=O)C2)C12CCC2 1775994836 LKYCCPLQWRNUHA-QWRGUYRKSA-N 293.367 1.105 0 50 CDAA Cc1ccccc1N1CCC[C@H](NCCC(=O)O)C1=O 1776004076 MWNPBMMGHKPBNR-LBPRGKRZSA-N 276.336 1.555 0 50 CDAA O=C(c1cn[nH]c1)N1CC[C@H](c2ccc3cccnc3n2)C1 898645604 OESKVCXDEYQEAD-LBPRGKRZSA-N 293.330 1.983 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H](C)c1ccccc1 899904301 IRSJOFIARROKIP-GFCCVEGCSA-N 260.337 1.898 0 50 CDAA CCCc1nc(C)cc(N[C@H]2CC=CC[C@@H]2C(N)=O)n1 1565508292 HPZARWOEPGKUFW-RYUDHWBXSA-N 274.368 1.970 0 50 CDAA C[C@@H]1OCCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)[C@@H]1C 248921661 FFHNTCYWCXUHCO-CXTNEJHOSA-N 276.380 1.958 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CNC(=O)C2)C1 79057800 TXCCTNIYGSOUBI-ZDUSSCGKSA-N 254.330 1.524 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1Cc2cn[nH]c2[C@H](C(=O)O)C1 202287485 MVVKXXXXYJBZQZ-MRVPVSSYSA-N 267.285 1.329 0 50 CDAA COC(=O)[C@H]1C[C@H](O)CN1Cc1cc2cc(F)ccc2o1 170089460 PSBKTTXNDFDOBV-WCQYABFASA-N 293.294 1.680 0 50 CDAA COC(=O)[C@H]1CCCCC[C@@H]1NCc1ccon1 170084628 ZHGDHHMQZWEKLW-RYUDHWBXSA-N 252.314 1.886 0 50 CDAA C[C@H](Nc1ncnc2nc(N)ccc12)C(=O)NC(C)(C)C 301779112 MIQIRPOPFLMFDK-QMMMGPOBSA-N 288.355 1.322 0 50 CDAA O=C(NCc1nnc(S)n1C1CC1)[C@@H]1C[C@H]1C1CC1 170655872 IUCVKKJLYFNLGL-VHSXEESVSA-N 278.381 1.564 0 50 CDAA CCn1ccnc1CN1CCC[C@@H]1[C@H]1COCC[C@]1(C)O 408035288 LAPHIFRBLZIRTA-FMKPAKJESA-N 293.411 1.655 0 50 CDAA Cn1ncc2c1C[C@@H](C(=O)Nc1nccs1)CC2 280972813 JKMUFDLCOXZGJT-QMMMGPOBSA-N 262.338 1.620 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCC1(CO)CCOCC1 408474505 AUQXXKSQWLXABJ-CHWSQXEVSA-N 285.384 1.097 0 50 CDAA Cc1cnccc1CNC(=O)[C@@H]1CCCc2[nH]ncc21 188900708 RYVOBKADNVXHPB-GFCCVEGCSA-N 270.336 1.849 0 50 CDAA CN(Cc1cccc2c1CCOC2)[C@]1(CO)CCOC1 639594486 FQVJQOJNKBXLJZ-INIZCTEOSA-N 277.364 1.343 0 50 CDAA CCOC1CC(CC(=O)NCc2ccnc(C)n2)C1 190420360 VUBSKEBELYATCD-UHFFFAOYSA-N 263.341 1.606 0 50 CDAA CCc1ncnc(N2C[C@H](OC)C[C@H]2c2ncc[nH]2)c1F 643745047 MXSHJKYBTABGOI-KOLCDFICSA-N 291.330 1.868 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1cc(C)ccc1OC 643763031 QSSZFEORWNLYED-INIZCTEOSA-N 292.379 1.470 0 50 CDAA Cc1nnc(N2CC[C@H](C(=O)NCc3ccccc3)C2)o1 645362803 SIQLOOIYCPOKLN-ZDUSSCGKSA-N 286.335 1.521 0 50 CDAA CCN1C[C@H](C)N(C(=O)c2ccc(C(N)=O)cc2)[C@@H](C)C1 562697303 VBVZNCOLCQGKRD-RYUDHWBXSA-N 289.379 1.340 0 50 CDAA O[C@@H](CCc1ccccc1)Cn1nnc(C2CC2)n1 193420311 USIILWFODCOFQA-ZDUSSCGKSA-N 258.325 1.544 0 50 CDAA O=C(Nc1ccncn1)N1CCC[C@@H](Cn2ccnn2)C1 194052028 HKIXCFPPWLXLCI-LLVKDONJSA-N 287.327 1.012 0 50 CDAA O=C(CCc1ccncc1)Nc1cc(CCO)ccn1 577232327 ZTQGDCYLVFMSKW-UHFFFAOYSA-N 271.320 1.583 0 50 CDAA CC[C@H](C)[C@@H](CN1CCN(C)[C@H](c2nc(C)no2)C1)OC 583650968 DKFRXFXJWLJOGB-FPMFFAJLSA-N 296.415 1.728 0 50 CDAA CC(C)(CN=c1ccc2ncc[nH]c-2n1)n1ccnc1 585117970 KRNVUERVVMVSIJ-UHFFFAOYSA-N 268.324 1.442 0 50 CDAA Cc1cccnc1N1CCN(CCc2nccn2C)CC1 1506400697 WJNJZUVVLDYEPE-UHFFFAOYSA-N 285.395 1.488 0 50 CDAA Cc1ccc(OCCOCCNCCN)c(Cl)c1 19772466 IQSFSOJFFNUUEM-UHFFFAOYSA-N 272.776 1.592 0 50 CDAA Cc1nnc(SCC(=O)N2C[C@H]3CC=CC[C@H]3C2)o1 1506409004 UXDIFPRIRPBKHW-PHIMTYICSA-N 279.365 1.895 0 50 CDAA O=C([C@@H]1CCCS(=O)(=O)C1)N1CCC[C@H]1C(F)(F)F 913018649 NZNPLVQQOZAITF-BDAKNGLRSA-N 299.314 1.365 0 50 CDAA Cc1nc(CN2CCC3(CC2)CNC(=O)CCO3)cs1 1857729191 MKTLAROSFHTQAC-UHFFFAOYSA-N 295.408 1.323 0 50 CDAA COc1ccccc1CNc1nnc(CN(C)C)o1 1704327374 CAZVTKSKEDLFPT-UHFFFAOYSA-N 262.313 1.752 0 50 CDAA CO[C@H](C)c1nc(C)c(C(=O)N(C)C2CCNCC2)s1 237186871 KYUNRMBZHNACPQ-SNVBAGLBSA-N 297.424 1.983 0 50 CDAA CC(C)(N)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 129640879 BAYYELUAIJMIQJ-UHFFFAOYSA-N 296.314 1.721 0 50 CDAA COc1cccc([C@@H](C)C(=O)NOC[C@H](C)O)c1 1615585773 DVPMBTBNSXPFSL-VHSXEESVSA-N 253.298 1.227 0 50 CDAA O=C(NC1CC2(CCC2)C1)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1615614389 FQTXODDRVPRCAR-BONVTDFDSA-N 294.351 1.062 0 50 CDAA CN(Cc1cnccn1)C(=O)[C@@H]1NCCOc2ccccc21 1615614016 DDXUCDZIOWGBCT-OAHLLOKOSA-N 298.346 1.158 0 50 CDAA COCCC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 377666675 FCEVBOMIFXFOAY-GFCCVEGCSA-N 268.357 1.026 0 50 CDAA COCCN1CC[C@H](CN(C)c2cncc(C)n2)C1 1772700430 DTXFBBGIPFYUPJ-CYBMUJFWSA-N 264.373 1.190 0 50 CDAA CSCC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1 12304295 SEFIBHJRPZEPRO-CYBMUJFWSA-N 279.409 1.525 0 50 CDAA CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 12379538 GNDAZWAIOMOIRB-UHFFFAOYSA-N 282.365 1.107 0 50 CDAA CCNC(=O)c1cnc2sc(C)c(C)n2c1=O 16649091 CYZGHUNNJMMCHP-UHFFFAOYSA-N 251.311 1.123 0 50 CDAA CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 19421279 UXEYNQCEJHEOEK-UHFFFAOYSA-N 256.346 1.770 0 50 CDAA COC(=O)CN(C)[C@H]1CCC(=O)N(CCCC(C)C)CC1 19770338 BMKIJRQYFFEQMZ-AWEZNQCLSA-N 298.427 1.909 0 50 CDAA O=C(Cn1cnnc1)N1CCCC[C@H]1c1ccccn1 1857696225 SFCSADJZADILMD-ZDUSSCGKSA-N 271.324 1.427 0 50 CDAA CN1Cc2cc(-c3ncnc4[nH]cnc34)ccc2C1=O 1857738204 WPYISLTVUMNHLB-UHFFFAOYSA-N 265.276 1.606 0 50 CDAA COC(=O)[C@@H]1[C@H](O)CCCN1C[C@@H]1CC=CCC1 252549062 QRDSPMVLVNJYBD-UPJWGTAASA-N 253.342 1.341 0 50 CDAA CS(=O)(=O)Nc1nnc(C2(c3ccccc3)CC2)s1 252506286 VYMWPDZNPURZIR-UHFFFAOYSA-N 295.389 1.990 0 50 CDAA COc1ccnc(-c2ccc([C@@H]3CNC(=O)C3)cc2)n1 1875250101 XQFDUQOSRMFWGW-LBPRGKRZSA-N 269.304 1.756 0 50 CDAA CCn1c(C)nnc1CN1CCC[C@H]1c1ccc(O)nn1 528798528 YVFXQLBVGACMJH-LBPRGKRZSA-N 288.355 1.439 0 50 CDAA CC[C@@H](C)NC(=O)CN1CCOC[C@H]1c1c(C)n[nH]c1C 330574333 QGBABKWHOWZFMZ-MFKMUULPSA-N 294.399 1.315 0 50 CDAA N[C@@H]1CCCCCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CC(O)C2 241897196 TWLIZJQKBREGOP-NZBPQXDJSA-N 280.412 1.798 0 50 CDAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccccc1 247319853 ONZYZNXQYYPWSN-HIFRSBDPSA-N 294.420 1.685 0 50 CDAA Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)ccc1=O 248775081 RYZIHXFERYWBEY-VXUPGSCNSA-N 287.363 1.335 0 50 CDAA O=C(c1ccc(-c2ncon2)cc1)N1C[C@@H](F)C[C@H]1CO 347440166 UGOVXTQLANXMLH-RYUDHWBXSA-N 291.282 1.282 0 50 CDAA COc1ccc(CNC(=O)c2ncnn2C)c(C)c1OC 902982987 IZDYQTHALPFAHE-UHFFFAOYSA-N 290.323 1.071 0 50 CDAA CN1CCC[C@@H]1[C@@](C)(O)c1ccc(OCCO)cc1 818023869 CCEONKOCWQJAIQ-CABCVRRESA-N 265.353 1.359 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)Cc1cccnc1 220388853 NKGHMPXISVEPOS-UHFFFAOYSA-N 272.352 1.713 0 50 CDAA CO[C@@H](CN)C(=O)N1CCC[C@@H]1Cc1ccccc1 227363515 WHMCDHPHSNPNLI-KGLIPLIRSA-N 262.353 1.194 0 50 CDAA CCS(=O)(=O)c1ccccc1NCC(F)(F)CO 228025865 KDZJEFRHVWXEMD-UHFFFAOYSA-N 279.308 1.520 0 50 CDAA Cc1nc(N)sc1C(=O)N[C@@H](c1nccn1C)C1CC1 252504241 VIRMDCFUPCQVIM-SECBINFHSA-N 291.380 1.648 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)CCOc1ccccc1F 237489772 BPSLZRXXAMVLIJ-RYUDHWBXSA-N 280.343 1.933 0 50 CDAA C[C@@H](C(=O)O)N1CCO[C@@H](c2cccc(F)c2)C1 237511063 GMTSRWHCMMKAPX-JOYOIKCWSA-N 253.273 1.672 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)c1cccnc1C(F)(F)F 263578928 TYYMSGOZEUINSJ-ZCFIWIBFSA-N 276.214 1.646 0 50 CDAA C[C@H](CN1CC[C@H](Oc2ccccn2)C1)CS(C)(=O)=O 330365353 ADKAIIWHXVVHQJ-OLZOCXBDSA-N 298.408 1.215 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H](C2)N3)o1 336179323 PSZRKTRZYMGMTM-PHIMTYICSA-N 270.354 1.103 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)N1C(=O)CCC(F)(F)F 653315539 HJHVBSMODXJKDO-RNFRBKRXSA-N 253.220 1.793 0 50 CDAA CCCn1cc(NC(=O)[C@@H]2CCCN[C@H]2C)cn1 722362861 BVPAGDDUXKJDTE-CMPLNLGQSA-N 250.346 1.620 0 50 CDAA COCc1nc(-c2ccc3cnn(C)c3c2)nn1C 2100539788 YOLLRAFXFMPHOP-UHFFFAOYSA-N 257.297 1.515 0 50 CDAA Cn1cc(NC(=O)CN2CCCc3ccccc3C2)cn1 2100543157 NFMPVGDXYHLKRC-UHFFFAOYSA-N 284.363 1.807 0 50 CDAA COc1cc(F)ccc1-c1nc(N2CCOCC2)n[nH]1 2100556959 LLPNINCQZPMSGW-UHFFFAOYSA-N 278.287 1.456 0 50 CDAA O=C1C[C@H](Cc2ccccc2)C(=O)N1c1ncccn1 100118323 RMUHLLVQDGPTNF-LBPRGKRZSA-N 267.288 1.599 0 50 CDAA O[C@@H](Cn1cnc2cc(F)c(F)cc21)C1(O)CCC1 899866638 PWQUMGSIMXVTSQ-LBPRGKRZSA-N 268.263 1.590 0 50 CDAA Cn1cnnc1SCC(=O)c1ccc(F)cc1 53416 LPATVBNPJAUWJM-UHFFFAOYSA-N 251.286 1.929 0 50 CDAA C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)O 123618 SHQGIYUBFHJOPP-LURJTMIESA-N 292.118 1.962 0 50 CDAA CC(=O)CC(=O)N1CCN(c2ccc(F)cc2)CC1 207326 OTQWRMZDZWOOAP-UHFFFAOYSA-N 264.300 1.453 0 50 CDAA O=C1N=C2C=CC=CN2C(=O)[C@H]1Cc1ccccc1 379369 QXJXRMQAVLNFQT-LBPRGKRZSA-N 252.273 1.696 0 50 CDAA COc1cc(OC)nc(N[C@H]2OC(=O)c3ccccc32)n1 546282 KKGDLRLPGOIXOH-LBPRGKRZSA-N 287.275 1.775 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1436048 SUWIPBQDWSTEDN-NSHDSACASA-N 265.265 1.109 0 50 CDAA Cc1cc(Cl)ccc1OCC(=O)NCCC(=O)O 1792740 UXZJGSFMQOTVTP-UHFFFAOYSA-N 271.700 1.618 0 50 CDAA CN1Cc2nnc(C3CC3)n2[C@@H](Cc2ccccc2)C1=O 2356162052 VMRXRRMIUUSILZ-ZDUSSCGKSA-N 282.347 1.911 0 50 CDAA C[C@@H](O)CNCCOCCOc1ccc2c(c1)CCC2 2879922 RIKBNNLIWJTPSS-CYBMUJFWSA-N 279.380 1.541 0 50 CDAA CCOc1ccccc1NC(=O)C(=O)NCc1cccnc1 2966496 HSPKACSVPHVZMA-UHFFFAOYSA-N 299.330 1.735 0 50 CDAA NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 3086358 KRJKMVQGNLIIPB-UHFFFAOYSA-N 257.258 1.946 0 50 CDAA Cc1ccc(C)n1NC(=O)C(=O)Nc1ccc(F)cc1 4838749 HNTAPOSLTGPECP-UHFFFAOYSA-N 275.283 1.953 0 50 CDAA OC[C@@H]1C[C@H](F)CN1c1ccc(C(F)(F)F)nn1 344147139 URRJHXDJBOPUAA-BQBZGAKWSA-N 265.210 1.405 0 50 CDAA Cc1ccc(NS(=O)(=O)C[C@@H]2CCCO2)c(C)c1O 172366008 GGBJQUGDLFSRNA-NSHDSACASA-N 285.365 1.930 0 50 CDAA COc1cc(NCCCc2nnc3ccccn23)ncn1 65371230 DHBZVJYMIVIPEY-UHFFFAOYSA-N 284.323 1.573 0 50 CDAA C/C=C/CC(=O)N1CCN(C(=O)c2ccccc2)CC1 55369100 CTBNOROHTDWSBL-NSCUHMNNSA-N 272.348 1.937 0 50 CDAA CC(C)(C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1 54976511 NASIOHFAYPRIAC-SNVBAGLBSA-N 285.388 1.110 0 50 CDAA Cc1nccn1[C@H](C)C(=O)N(CCO)Cc1ccco1 20906482 NSXCZNGDURVFLB-LLVKDONJSA-N 277.324 1.367 0 50 CDAA C[C@@H](O)CCN(C)C(=O)c1ccc2nc(N)sc2c1 135546725 NVKQWVFEWXPBMS-MRVPVSSYSA-N 279.365 1.721 0 50 CDAA CC(C)C(=O)N1CCC(CN[C@@H](C)Cn2cncn2)CC1 65530633 JTSRCTYEBGSSPH-ZDUSSCGKSA-N 293.415 1.151 0 50 CDAA CCOC(=O)N1CCN([C@@H]2COc3ccccc3C2)CC1 20419375 VCDAXDGAVNTJBP-AWEZNQCLSA-N 290.363 1.764 0 50 CDAA CC(C)N1C[C@@H](C)[C@@H](N[C@H]2CCN3CCC[C@H]3C2)C1 358263840 HOUMOIQGVSYEBN-UGUYLWEFSA-N 265.445 1.932 0 50 CDAA O=C(CSC1CC1)N1CCC(c2nnc(O)o2)CC1 425328645 YAHHZKSVNUXFES-UHFFFAOYSA-N 283.353 1.377 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2ccc3nc(S)oc3c2)N1 121124099 IJVNEYJBADMLNK-QMMMGPOBSA-N 277.305 1.334 0 50 CDAA Cc1nn(C)c(Cl)c1CN(C)C(=O)[C@H]1CCOC1 328594507 PIRKBIZGJBNAIX-VIFPVBQESA-N 271.748 1.377 0 50 CDAA COC(=O)[C@@H]1CC12CCN(C(=O)[C@H](OC)C1CC1)CC2 328594308 ZNONOEPEGKHPLV-NWDGAFQWSA-N 281.352 1.213 0 50 CDAA O=C1NC(=O)[C@](c2ccccc2)(c2ccc(O)cc2)N1 119642 XEEDURHPFVXALT-HNNXBMFYSA-N 268.272 1.475 0 50 CDAA biogenic,world Cc1cc(N[C@H]2CCCO[C@@H]2c2cnn(C)c2)ncn1 328634503 UAEXVPDTANMZKV-GXTWGEPZSA-N 273.340 1.851 0 50 CDAA Cc1nc([C@@H]2CCCN(CCO)C2)cc(N2CCCC2)n1 72438459 ZVEIPVONXBJCDA-CQSZACIVSA-N 290.411 1.557 0 50 CDAA C[C@H]1CN(C(=O)c2cncc(F)c2)CC[S@](=O)C1 330328789 LYEMMWAJUNAXFR-YYSFKGJASA-N 270.329 1.061 0 50 CDAA C[C@]1(NC(=O)COc2ccccc2O)CCCOC1 330656644 OZBRYHLTNFSYFA-AWEZNQCLSA-N 265.309 1.456 0 50 CDAA COCc1noc(-c2ccc(N3CCSCC3)nc2)n1 39380503 PMZPBQDJIGVCJV-UHFFFAOYSA-N 292.364 1.831 0 50 CDAA CCn1ccc(C(=O)NCCCSC)cc1=O 216341379 XEROVIUNZXJZDV-UHFFFAOYSA-N 254.355 1.351 0 50 CDAA COc1cccc(C(=O)N2CCC[C@H](N(C)C)CC2)c1O 72148299 WCPDENDCKQHZHG-LBPRGKRZSA-N 292.379 1.957 0 50 CDAA Cc1ccc(F)c(CN2CC[C@H](CO)[C@@H](O)C2)c1F 1138114992 UERDOMUPWCEUSA-MFKMUULPSA-N 271.307 1.448 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)C[C@H]1CCOC1 215808822 RSVACLBWTVYYHZ-CYBMUJFWSA-N 251.374 1.927 0 50 CDAA O=C(Cn1ccc(C(F)(F)F)n1)N1CCCn2nccc21 335418899 OMKYWUDBQXZXJB-UHFFFAOYSA-N 299.256 1.535 0 50 CDAA CN(C)C1(CNC(=O)CCN2CCCC2)CCCCC1 72799578 JFSKSWZQMPHIPX-UHFFFAOYSA-N 281.444 1.853 0 50 CDAA CCn1ccnc1C(=O)N1CCC2(CCOCC2)[C@@H]1C 336099238 CELHJTIRKFJDTF-LBPRGKRZSA-N 277.368 1.934 0 50 CDAA CCN1CCCN(Cc2cc3cccnc3o2)CC1=O 336219782 UMGRYHDQCNGTAP-UHFFFAOYSA-N 273.336 1.882 0 50 CDAA COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 45952758 FWRZGFLENCMIKP-ZETCQYMHSA-N 255.220 1.491 0 50 CDAA CC(=O)NCCOc1cccc(Br)c1 47345901 MLWKUWLRVOVGBC-UHFFFAOYSA-N 258.115 1.964 0 50 CDAA O=C(CCc1cccnc1)NCc1n[nH]c2c1CCC2 220433297 VNHHKERSVXAVSZ-UHFFFAOYSA-N 270.336 1.542 0 50 CDAA Cn1cncc1CCN1CCN(c2ncccc2F)CC1 290014610 MGAMPWKWALXDEC-UHFFFAOYSA-N 289.358 1.319 0 50 CDAA CC(C)[C@H](NC(=O)c1ccncc1)c1nccn1C 223780932 JAUQHPLHCHKHGL-LBPRGKRZSA-N 258.325 1.942 0 50 CDAA C[C@H]1CCC[C@@H](C)N1CCNC(=O)CN1C(=O)CC[C@H]1C 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NLSUCLORSASNIG-UHFFFAOYSA-N 252.277 1.822 0 50 CDAA N[C@H]1CN(C(=O)CCc2ccncc2)C[C@@H]1C1CC1 91809185 CILIJEWPOARKGS-KGLIPLIRSA-N 259.353 1.210 0 50 CDAA Cc1nnc(NC(=O)Cc2ccc3c(c2)NC(=O)C3)s1 181488591 CHCKRHQZVJWLTE-UHFFFAOYSA-N 288.332 1.522 0 50 CDAA O=C(C[C@@H]1CNCCO1)NCc1ccc(Cl)s1 91312551 SQMNFLXMZFZLTQ-MRVPVSSYSA-N 274.773 1.396 0 50 CDAA COCc1noc(CN2C(=O)OC[C@@H]2c2ccccc2)n1 95507960 ZLIKPPFSQDLNLV-LLVKDONJSA-N 289.291 1.910 0 50 CDAA CCOC(=O)[C@H](Cc1ccccc1)N1C[C@H]1C(=O)OC 244866557 VYHXXEAMSGRODS-VORVDWIASA-N 277.320 1.018 0 50 CDAA Cc1cnccc1NCCNc1cc([C@H]2C[C@@H](O)C2)ncn1 244874736 XGIKTKXRZMZJPY-BETUJISGSA-N 299.378 1.942 0 50 CDAA CCCCC(=O)N1C[C@@H](NC(=O)c2ocnc2C)C[C@H]1C 1370848851 IITYWSWHNPQKGR-PWSUYJOCSA-N 293.367 1.892 0 50 CDAA CCOC(=O)[C@]1(C(=O)O)Cc2ccc(F)cc2C1 261508931 YKOMTFMXHAWMMI-CYBMUJFWSA-N 252.241 1.558 0 50 CDAA CCN1CC[C@@H](CN(CC)C(=O)CCC(=O)O)C1 534592135 DFCUKNNSNDYDIZ-LLVKDONJSA-N 256.346 1.042 0 50 CDAA O=C(CCCc1cn[nH]c1)NCc1cscn1 534585856 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256.309 1.537 0 50 CDAA CN(CC1(C)COC1)C(=O)CCC(=O)N1CCCCCC1 584900908 RQDOSPMFRLFCCX-UHFFFAOYSA-N 296.411 1.664 0 50 CDAA Cn1c(=O)cc(-n2ncnc2[C@H]2CCOC2)c2ccccc21 584887300 ZSRSCLMGFYTURV-NSHDSACASA-N 296.330 1.623 0 50 CDAA Cc1cc(C)n(CCN(C)Cc2ccc(CO)o2)n1 670472313 VUECWPDPMZRSHO-UHFFFAOYSA-N 263.341 1.717 0 50 CDAA CC1=NO[C@](C)(C(=O)N2CC(Oc3ccccc3)C2)C1 670446887 ZGPHQBMIJVVJKK-HNNXBMFYSA-N 274.320 1.831 0 50 CDAA CN(C)C(=O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1 685945240 BIJYVOMGGUAIGB-XUXIUFHCSA-N 278.396 1.749 0 50 CDAA CCn1ccc(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)n1 1550343322 LLFVUAXKDWOIBY-GXTWGEPZSA-N 299.330 1.946 0 50 CDAA Cc1cc(NC[C@H]2CC(C(F)(F)F)=NO2)ncn1 952965133 ZHIOFNNHDFKSJN-SSDOTTSWSA-N 260.219 1.904 0 50 CDAA CC(C)C(=O)N1CCC[C@H](C(=O)N(C)c2ccccn2)C1 1875259569 LBRQEOWOWJWQCG-ZDUSSCGKSA-N 289.379 1.939 0 50 CDAA O=C(NCC1CC1)N1CC[C@@H](Nc2ccccn2)C1 1875270685 PNHICOKGAHSGMA-GFCCVEGCSA-N 260.341 1.687 0 50 CDAA O=c1onc(Cc2ccc(F)cc2)n1CCn1cccn1 1875391726 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C=CC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 1335866192 GPIPBHIKYFNAFD-CQSZACIVSA-N 276.405 1.906 0 50 CDAA Cc1c[nH]nc1C(=O)NC(C)(C)[C@H](O)C(F)(F)F 1347267103 HSGMCDPNYOQRCD-QMMMGPOBSA-N 265.235 1.150 0 50 CDAA O=C(O)[C@H]1CN(C[C@@H]2[C@H]3CNC[C@H]32)C[C@@H]1c1ccccc1 1565510296 AJGGMWNBVNOYME-LEOABGAYSA-N 286.375 1.252 0 50 CDAA O=S(=O)(c1ccc2[nH]cnc2c1)C(F)(F)F 83750033 JEOFJOWCWVPMTM-UHFFFAOYSA-N 250.201 1.856 0 50 CDAA in-vitro Cc1nonc1CN[C@@](C)(C(=O)O)c1ccccc1 1594503788 QQDQTYBHWMIHCS-CYBMUJFWSA-N 261.281 1.468 0 50 CDAA CC[C@H](C)n1ncc(C(=O)N2CCNCC2)c1C1CC1 170070337 FQHLUTHLLYKZNI-NSHDSACASA-N 276.384 1.777 0 50 CDAA CC(C)CCn1ccc(NC(=O)C2(O)CCC2)n1 170083965 QXYMYEHLCWDOFU-UHFFFAOYSA-N 251.330 1.783 0 50 CDAA CCC[C@H](C(=O)O)N1CCC(CN2CCCCC2=O)CC1 515660284 UXHXXJUBEIWPOV-CQSZACIVSA-N 296.411 1.964 0 50 CDAA CCn1nnc(C)c1CN[C@@H](C)c1cscn1 516194428 HQFJVURUACXTLM-QMMMGPOBSA-N 251.359 1.914 0 50 CDAA CO[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)O)cn2)C12CCC2 634807130 ZAQLWLGEDONPNF-VXGBXAGGSA-N 290.319 1.467 0 50 CDAA COc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)on1 188719411 LNJZVBQLNYQXMI-SKDRFNHKSA-N 282.340 1.864 0 50 CDAA CC(C)[C@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(C2CC2)C1 408473699 DSSDWOKOZPIVNP-GXTWGEPZSA-N 280.368 1.228 0 50 CDAA CC1=C(C)C[C@H](C(=O)NS(=O)(=O)Cc2ccon2)CC1 408504217 XTUAOMTXFHNJGS-LLVKDONJSA-N 298.364 1.757 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCN(C4CC4)C(=O)C3)c2c1 225449457 GOEGBHLZOJOEOX-UHFFFAOYSA-N 298.346 1.318 0 50 CDAA C[C@H](O)C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 225402454 NOHUUTPKLMJSPB-NSHDSACASA-N 291.347 1.691 0 50 CDAA C[C@@H]1CN(c2cc(CO)ccn2)C[C@]2(CCO[C@@H]2C)O1 641544503 XJWQUPAVQKLQRS-JMSVASOKSA-N 278.352 1.347 0 50 CDAA O=C1NC2(CCCCCC2)C(=O)N1Cc1ccon1 192759328 QNFSQXQLBRMJGR-UHFFFAOYSA-N 263.297 1.819 0 50 CDAA C=CC(=O)NCCC(=O)N1CC[C@H]1c1cccc(F)c1 746207188 OCMIJURJTZJILZ-ZDUSSCGKSA-N 276.311 1.791 0 50 CDAA CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C2CC(=O)C2)C1 194324640 BRUMSRWBDUVPLS-OAHLLOKOSA-N 281.352 1.403 0 50 CDAA 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Cc1nc(CNC(=O)N[C@@H]2CCN3CCCC[C@@H]23)cs1 229166802 YIZGYBUANGKIJL-OLZOCXBDSA-N 294.424 1.878 0 50 CDAA C[C@H]1C[C@@H]1C(=O)N[C@@H](CNC(=O)[C@H]1C[C@H]1C)C1CC1 252517764 QRQJNEXUEFMRGQ-RDIPFHLNSA-N 264.369 1.309 0 50 CDAA Cc1cccn2c(CN3CCC[C@H]3C(=O)NC3CC3)cnc12 121485021 BKNVDWUTCKSPMJ-HNNXBMFYSA-N 298.390 1.886 0 50 CDAA COc1ccnc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 331857229 FJBSPCCUIZIEDL-XHSDSOJGSA-N 292.379 1.452 0 50 CDAA Cc1cc(N[C@@H](Cc2ccccc2)C(N)=O)nc(N(C)C)n1 65370649 QWUQPLTXDJUQPP-ZDUSSCGKSA-N 299.378 1.360 0 50 CDAA Cc1cccc2c1nc(CCO)n2-c1cnc(N)cn1 65470266 NNJUGRJLZJHEBV-UHFFFAOYSA-N 269.308 1.241 0 50 CDAA O=C(NCCn1ccnn1)c1c[nH]nc1C1CCCCC1 125313185 CFHWYLYPZMKPKO-UHFFFAOYSA-N 288.355 1.479 0 50 CDAA C=CC(=O)N1CCC[C@@H](Oc2ncccc2F)C1 328597899 JGYGLJOFYJZWOY-SNVBAGLBSA-N 250.273 1.777 0 50 CDAA C[C@@]1(C(=O)NC[C@@H](O)c2ccccc2Cl)CCNC1 151446160 DOZQNMNOEFYRMC-TZMCWYRMSA-N 282.771 1.489 0 50 CDAA CC1=C[C@H](C)C(=O)N(CCN2CCOCC2)C(C)=C1 31716311 ZATKVRIJXYUBSF-ZDUSSCGKSA-N 264.369 1.647 0 50 CDAA CSCC[C@@H](CO)n1ccnc1-c1nccn1C 71388588 QKIYYHADWYTGCS-JTQLQIEISA-N 266.370 1.570 0 50 CDAA O=C(N[C@@H]1CC[S@@](=O)C1)c1ccccc1OCC1CC1 332952261 ZDVHXWBTLTYIKF-MPBGBICISA-N 293.388 1.726 0 50 CDAA CC(C)c1nccc(=NC[C@H]2CN3CCCC[C@H]3CO2)[nH]1 367129354 QMWARKRWVTZGAF-KBPBESRZSA-N 290.411 1.687 0 50 CDAA COc1cccc(OCC(=O)N2CCC[C@@H]2CN)c1 237277391 WBGPEWARZYLCJG-LLVKDONJSA-N 264.325 1.024 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1ccc(-c2ncon2)cc1 237267303 SWJCARJRSBQDDW-CYBMUJFWSA-N 286.335 1.561 0 50 CDAA OC1(CN2CCCC2)CCN(Cc2cscn2)CC1 215386858 KULXXBOSGWFZAP-UHFFFAOYSA-N 281.425 1.566 0 50 CDAA C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)CCO1 262920708 KWIOLOBFTBDMLR-XWLWVQCSSA-N 255.314 1.171 0 50 CDAA CCc1nnc(N2CCn3nc([C@H](O)CC)cc3C2)s1 219307473 LFCOSYHRBSPHPB-LLVKDONJSA-N 293.396 1.761 0 50 CDAA C[C@H](C(=O)NC(C)(C)C(=O)O)c1cccc(F)c1 237416868 SLPQJEVJAKRZJZ-QMMMGPOBSA-N 253.273 1.909 0 50 CDAA COC(=O)CCCC(=O)N[C@H]1COc2cccc(F)c21 372523003 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CC1(CC(=O)N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)CC1 1875401169 SAIFSWVUCHQXHI-YNEHKIRRSA-N 277.368 1.329 0 50 CDAA O=C(NC[C@@H]1CCCN(c2cnsn2)C1)c1ccoc1 952874142 XISAKZJAZVFELU-JTQLQIEISA-N 292.364 1.778 0 50 CDAA c1ccc(C[C@H]2CN(c3ncnc4nc[nH]c34)CCO2)cc1 271901428 QGGDPDBTSNIWSL-ZDUSSCGKSA-N 295.346 1.801 0 50 CDAA Cc1nnc(N2CCN(C(=O)c3ccc[nH]3)CC2)s1 1775999611 QCCNPRGSYGATBR-UHFFFAOYSA-N 277.353 1.137 0 50 CDAA C=CC(=O)N[C@@H]1c2cc(OC)ccc2CC[C@H]1OC 1775997288 FBEIQEVVZUUJCF-UKRRQHHQSA-N 261.321 2.000 0 50 CDAA CN(C)C(=O)O[C@H]1CCN(C(=O)C2(N(C)C)CCCC2)C1 1412978072 CUTOWQOJUUWNEV-LBPRGKRZSA-N 297.399 1.160 0 50 CDAA CC(C)O[C@@H]1C[C@@H](NC(=O)CCn2ccnc2)C1(C)C 274277519 NYZGJWURRJCFFP-CHWSQXEVSA-N 279.384 1.982 0 50 CDAA C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(CC(=O)O)c1 516044522 BHENYHXMISTPPZ-SNVBAGLBSA-N 290.319 1.263 0 50 CDAA O=C(NCc1nnc(S)n1C1CC1)[C@@H]1C[C@@H]1C1CCC1 170653246 YCUIVGSBRTZBKZ-GHMZBOCLSA-N 292.408 1.954 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccon1 250175028 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CCN(c1ccc(O)cc1)S(=O)(=O)c1cn[nH]c1 193348158 WHTAGSAKIXVAGR-UHFFFAOYSA-N 267.310 1.331 0 50 CDAA O=C(O)c1cncnc1NC1CCN(CC(F)F)CC1 649387539 WDRUEDQQSNTYGS-UHFFFAOYSA-N 286.282 1.316 0 50 CDAA CN(CCn1cccn1)C(=O)C1CCC(C(=O)O)CC1 194414065 UTGFKOQXLNJTAY-UHFFFAOYSA-N 279.340 1.233 0 50 CDAA C[C@H]1C[C@H]1c1cc(NC(=O)c2ccn(C)c(=O)c2)[nH]n1 194558638 JMTITHDIBDMITK-WCBMZHEXSA-N 272.308 1.484 0 50 CDAA OCCc1cn(CCC2OCCO2)nc1C(F)(F)F 195565910 MRZFFTRADGKFBH-UHFFFAOYSA-N 280.246 1.200 0 50 CDAA CC(C)c1nsc(N[C@@H]2C[C@@H](C(=O)O)C[C@H]2O)n1 662899044 WTQMALLYRNDVPI-BWZBUEFSSA-N 271.342 1.298 0 50 CDAA CCCCc1ncc(CN[C@H](C)c2nncn2C)[nH]1 1506424351 ZXLBBDVMSWVMPS-SNVBAGLBSA-N 262.361 1.732 0 50 CDAA Cc1ccnn1CCN1CC[C@H](O)CC(C)(C)C1 1506429643 WCXNUSDZAOPYJS-ZDUSSCGKSA-N 251.374 1.674 0 50 CDAA COc1cc(OC)nc(N(C)Cc2ncccc2C)n1 1529113658 HHSVJILBRCXQOH-UHFFFAOYSA-N 274.324 1.834 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)C3(C)CC3)C[C@@H]2O)on1 1529197098 KRQNRDQBBBBVSQ-PWSUYJOCSA-N 264.325 1.145 0 50 CDAA COC(=O)c1sccc1NC(=O)C[N@@]1C[C@@H]1C 1857525207 WZTQTUCHLJRMFW-WPPNPWJKSA-N 254.311 1.177 0 50 CDAA Cc1noc(C)c1CCCNC(=O)c1nc(Cl)n(C)n1 1857691047 SWYUYLPDUUJGDQ-UHFFFAOYSA-N 297.746 1.436 0 50 CDAA CCC[C@H]1CN(c2ncc(OC)cn2)C[C@@H]1N(C)C 216973788 CHOWTKBDAUUJOB-AAEUAGOBSA-N 264.373 1.652 0 50 CDAA CCCN1CCCC[C@@H]1C(=O)N1CC[C@@H](CNC)C1 408523357 RGTXIGOLOJSJPJ-UONOGXRCSA-N 267.417 1.319 0 50 CDAA Cc1cccc(CC(=O)N(CCO)Cc2[nH]cnc2C)c1 1704335286 CHBYCCAAPIURHT-UHFFFAOYSA-N 287.363 1.590 0 50 CDAA C[C@@H]1CN(CCCNCc2cncn2C)C[C@@H](C)O1 237509154 MVXXACROOIRUFX-CHWSQXEVSA-N 266.389 1.009 0 50 CDAA CSCC[C@H]1NC(=O)c2cc(N)ccc2NC1=O 334161052 RTUUAPVOCVTARP-SNVBAGLBSA-N 265.338 1.072 0 50 CDAA COC(=O)NCCNC(=O)C(F)(F)c1ccc(F)cc1 497309710 ANVZPHXIKALSOU-UHFFFAOYSA-N 290.241 1.390 0 50 CDAA Cc1nccnc1N1CCN(CC(C)C)[C@H](CCO)C1 1772703600 YKAYNNQEVKMNCX-CQSZACIVSA-N 278.400 1.314 0 50 CDAA CN1C[C@@H](c2nnc3n2-c2ccccc2SC3)CC1=O 1775984490 VXYLTSSCXIEAOV-VIFPVBQESA-N 286.360 1.819 0 50 CDAA CCOc1ccc(C(=O)CCN2CCOCC2)cc1 19313998 ITCONRCDSSQXNV-UHFFFAOYSA-N 263.337 1.990 0 50 CDAA C[C@@H](CN1CCOCC1)OC(=O)c1ccccc1F 19928411 KOANMUPCOMWVDB-NSHDSACASA-N 267.300 1.703 0 50 CDAA Cc1cnc(CNC(=O)[C@@]2(C)CC23CCNCC3)cn1 1857694733 IUFWRXKNJUHCFZ-CQSZACIVSA-N 274.368 1.181 0 50 CDAA Cc1nc2c(c(=O)n1C)CN(c1cnc3ccccc3n1)C2 1857741548 XWOUNQWCJSWADI-UHFFFAOYSA-N 293.330 1.552 0 50 CDAA CC(C)c1nnc(CN2CCC[C@@H](CC(N)=O)CC2)n1C 671508451 NBDTXRPRSRLNEM-GFCCVEGCSA-N 293.415 1.416 0 50 CDAA CC(C)[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cnn(C)c1 408474503 ASRDRGNRDBKDBO-ZIAGYGMSSA-N 279.384 1.830 0 50 CDAA COc1cc(S(=O)(=O)NC[C@@H]2CCCO2)c(C)cc1C 8714999 AMPOXRFQOROERZ-LBPRGKRZSA-N 299.392 1.769 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)O)CCO1 655597126 NJMWRVNVOSLNHD-WXHSDQCUSA-N 292.335 1.009 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(c2ccnc3ccccc23)C1 671466373 LSNLJMIXZGDXRJ-MRXNPFEDSA-N 295.346 1.468 0 50 CDAA Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 252491949 MADHLUQPWFZWDY-AWEZNQCLSA-N 275.352 1.218 0 50 CDAA CC(C)[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)CCO1 369183619 MSRYIMOVEWARFY-SLEUVZQESA-N 282.384 1.223 0 50 CDAA C[C@](NC(=O)c1ccncc1)(C(N)=O)c1ccccc1 163004021 IUUBNJJLZBNSNC-OAHLLOKOSA-N 269.304 1.212 0 50 CDAA CCc1ocnc1C(=O)Nc1nc2c(s1)CN(C)CC2 265752589 FEOBJCDTMZTICX-UHFFFAOYSA-N 292.364 1.934 0 50 CDAA C[C@H](NC(N)=O)C(=O)N1CCC[C@H](Nc2ccccc2)C1 163954633 PIRDXDNHFJOZDU-AAEUAGOBSA-N 290.367 1.146 0 50 CDAA COc1cnc(C(=O)N[C@@H]2C[C@H](N)C23CCC3)c(F)c1 1649141358 CMHDIMDVYCBXCK-WDEREUQCSA-N 279.315 1.229 0 50 CDAA COc1ccc(CN2CC[C@H](CO)[C@H](O)C2)c(OC)c1C 1204256396 PVBSUXDWEDPRBN-ZIAGYGMSSA-N 295.379 1.187 0 50 CDAA Cn1ccnc1-c1noc([C@H]2NCCOc3ccccc32)n1 904608378 XPOZBBZQZIBBTL-LBPRGKRZSA-N 297.318 1.542 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1cc(O)nc2c1CCCC2 911868353 OEYJBUZGVVAYCH-LLVKDONJSA-N 289.379 1.490 0 50 CDAA Cc1ccc(F)c(CN2CCOC[C@H]2CC(N)=O)c1F 930678365 WXSMHQPKUNFKQZ-SNVBAGLBSA-N 284.306 1.349 0 50 CDAA Cc1cc(C)c(OCC(=O)N2CCOCC2)c(C)c1 458875 WGXBEARTNXLGED-UHFFFAOYSA-N 263.337 1.849 0 50 CDAA O=C(CCC1CC1)NCc1nc(C(=O)O)cs1 124336282 XTUGLVBVWFBYNX-UHFFFAOYSA-N 254.311 1.648 0 50 CDAA O=C(COc1ccc(F)cc1F)N[C@H]1C[C@@H](C(=O)O)C1 263293581 MOWGOVDGYFNQFW-OTSSQURYSA-N 285.246 1.323 0 50 CDAA CCOc1ccccc1O[C@H]1CN(CC)C[C@@H]1O 71772316 XWQXOWUBFRSUBR-FZMZJTMJSA-N 251.326 1.529 0 50 CDAA C[C@@H]1CCCN(C(=O)c2cnn3c2CCC3)[C@@H]1C(=O)O 333612521 SFFLHPODYOSZHD-SKDRFNHKSA-N 277.324 1.155 0 50 CDAA Cc1nn(C)c(CNCc2ncoc2C)c1Cl 398101935 MZLRDTWEEBYBEX-UHFFFAOYSA-N 254.721 1.968 0 50 CDAA COc1cc(C(C)=O)ccc1OC(=O)N1CCOCC1 139792 ZMYQWDADCCMMSA-UHFFFAOYSA-N 279.292 1.729 0 50 CDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1ccsc1 19799693 JKKWYYXZKUKZFH-UHFFFAOYSA-N 279.317 1.549 0 50 CDAA COC[C@H]1CN=C(NC[C@H](Nc2ccccc2)C(C)C)N1 2325826660 IWCFEZHDVUYAPG-CABCVRRESA-N 290.411 1.687 0 50 CDAA CC(=O)Nc1ccc(CCc2noc3c2COC3)cn1 2325871235 CSGSHSQXCRAKEW-UHFFFAOYSA-N 273.292 1.843 0 50 CDAA CS(=O)(=O)c1cc(F)cc2cc(C(=O)O)[nH]c12 154163 WNCWFIMFLBFIRS-UHFFFAOYSA-N 257.242 1.409 0 50 CDAA 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278.400 1.221 0 50 CDAA Cc1cccc(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)n1 229386743 VOMWEZAZQGXXHH-OCCSQVGLSA-N 259.353 1.747 0 50 CDAA O=C(CCc1ccc(F)cc1)NCCCN1CCOCC1 60866767 ODTWRQBKOWDBBH-UHFFFAOYSA-N 294.370 1.597 0 50 CDAA CCOC(=O)c1cnc(N2CCOCC2)nc1Cl 38537151 ZYIJNUYHOXXCPR-UHFFFAOYSA-N 271.704 1.143 0 50 CDAA in-vitro C[C@@H](N)C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 121582677 WQYINDSPEMMTEK-XBFCOCLRSA-N 262.353 1.448 0 50 CDAA CCCCN(C)S(=O)(=O)N[C@H](c1ncc[nH]1)C(C)C 253430970 SPYUQINKWCAFIQ-NSHDSACASA-N 288.417 1.673 0 50 CDAA CCOc1ccnc(N[C@@H](Cc2ccccc2)C(N)=O)n1 65462031 KGDZAHPVUZPEPA-LBPRGKRZSA-N 286.335 1.384 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cccc(-n2cncn2)c1 122217564 XZKPBWZSBCLWKJ-DOMZBBRYSA-N 299.378 1.609 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)/N=c1/cccc(C)[nH]1 36638916 DCRNWMIXGSMVTQ-UHFFFAOYSA-N 292.360 1.930 0 50 CDAA Cc1cc(N)n(CC(=O)N2CCCC[C@H]2c2ccccn2)n1 216361754 NWNLBTSNONHEJJ-AWEZNQCLSA-N 299.378 1.923 0 50 CDAA CC(C)c1nsc(N2CCO[C@H](c3nncn3C)C2)n1 328645941 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CO[C@H]1CN(c2nccc(C3CCCC3)n2)CC[C@H]1N 71775976 UUYLUUIGJAJCDS-OCCSQVGLSA-N 276.384 1.687 0 50 CDAA C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NCCN 158677272 PZWXAUWNMGGJCW-LBPRGKRZSA-N 299.374 1.919 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2c(Cl)cnn2C)[nH]n1 71404163 MTXMHVMBJLRZMC-SSDOTTSWSA-N 281.747 1.466 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)CSc1ccccc1 72168010 BJFKPLFPMOGGSH-NSHDSACASA-N 295.360 1.481 0 50 CDAA c1cncc(-c2noc(Cn3ccnc3[C@@H]3CCOC3)n2)c1 71760215 DEYVVURLDRZSOZ-GFCCVEGCSA-N 297.318 1.880 0 50 CDAA Fc1ccc(CCN2CCN3CCOC[C@@H]3C2)cc1F 335997002 QAPIJSVNZJQDBZ-ZDUSSCGKSA-N 282.334 1.524 0 50 CDAA COc1ccc(CN(C)C[C@@H]2COCCO2)cc1F 215420981 OSYLWSRRVVDBOL-GFCCVEGCSA-N 269.316 1.682 0 50 CDAA CC1=C[C@H](C)CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 336552133 NXIYZOJQZNHSEI-CMPLNLGQSA-N 265.357 1.202 0 50 CDAA O=C(O)[C@H]1CN(S(=O)(=O)c2ccoc2)CCC1(F)F 285279669 WPWPFSVGOZCNBC-MRVPVSSYSA-N 295.263 1.010 0 50 CDAA CCOC1CC2(CCN(C(=O)c3ccncn3)C2)C1 286830368 ZBNPDKUEVMKXAJ-UHFFFAOYSA-N 261.325 1.508 0 50 CDAA 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CCC[C@H]1CN(C(=O)Cc2ccccc2OC)C[C@@H]1N 91326017 LEGUVRXTYOLBQX-KBPBESRZSA-N 276.380 1.824 0 50 CDAA CCC[C@]1(CO)CCCN(C(=O)Cn2cc(C)cn2)C1 91769838 DECYQPCSRCDMJK-HNNXBMFYSA-N 279.384 1.593 0 50 CDAA CC[C@H](NC(=O)Nc1ccc[nH]c1=O)c1cnn(C)c1 97288743 WKJDVQVCZXXNLE-JTQLQIEISA-N 275.312 1.381 0 50 CDAA Cn1c(=N)[nH]c2cc(C(=O)O)cc(Br)c21 1857781127 NDWLRUVIZQIWDM-UHFFFAOYSA-N 270.086 1.447 0 50 CDAA O=C(c1cc2c(s1)CCCC2)N1C[C@@H](O)CO1 92003479 VNUHDEOGPRPYES-SECBINFHSA-N 253.323 1.375 0 50 CDAA O=C(C[C@H]1CCc2ccccc21)NCC(=O)N1CCCC1 97515125 QETCESAAEIWFKA-CQSZACIVSA-N 286.375 1.845 0 50 CDAA CC(=O)N1CCN(c2nc3c(s2)c(C)nn3C)CC1 95508046 JTQGKRSZVAPTHB-UHFFFAOYSA-N 279.369 1.007 0 50 CDAA Cc1cnc(NC[C@H](O)CN2CCCCC2)nc1 95352462 ZSNULFDDRAGXTR-LBPRGKRZSA-N 250.346 1.044 0 50 CDAA CCCc1nnc(N2CCN(Cc3cccnc3)CC2)o1 95375394 MXLQYFXEFPJIJO-UHFFFAOYSA-N 287.367 1.739 0 50 CDAA C[C@H](c1ncnn1Cc1ccccc1)n1cncn1 91830326 OCFIOCHNJWUTAB-LLVKDONJSA-N 254.297 1.527 0 50 CDAA 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CCN1C[C@@H](c2nc(O)c3c(F)cccc3n2)CC1=O 647603249 KLVHOLBRUUAXPF-QMMMGPOBSA-N 275.283 1.810 0 50 CDAA COc1c(C)ncnc1N1CCC[C@H](CS(C)(=O)=O)C1 656191183 OJIKUWJEVIQXPH-NSHDSACASA-N 299.396 1.055 0 50 CDAA C[C@H]1COCCCN1C(=O)NCc1c(C2CC2)cnn1C 661809545 XHAMMFWFDPUJNW-NSHDSACASA-N 292.383 1.618 0 50 CDAA COC(=O)[C@@](C)(CO)NCc1ccc(F)c(C)c1 585117265 WWJWQXOHRUZRAF-CYBMUJFWSA-N 255.289 1.148 0 50 CDAA CCC[C@H](C)NC(=O)[C@H]1CCCN(CC2COCOC2)C1 585116870 KWXCZIXDOYALKN-ZFWWWQNUSA-N 298.427 1.624 0 50 CDAA CCS(=O)(=O)Nc1nnn(-c2ccc(F)cc2)c1C 585129221 BZLCRPISXXFGCM-UHFFFAOYSA-N 284.316 1.476 0 50 CDAA CNC(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 952994627 RXRQIGMXJNUPKN-GFCCVEGCSA-N 265.332 1.719 0 50 CDAA COc1cnc(N(C)CCN2CCCC[C@H]2C)nc1 1506414675 IDECUFCVLOKKQG-GFCCVEGCSA-N 264.373 1.796 0 50 CDAA CCN(CC)S(=O)(=O)N1CCO[C@@H]2CCCC[C@H]21 230156455 KALUAQDBLQJATF-VXGBXAGGSA-N 276.402 1.216 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2ccccc2C)CC[C@@H]1O 1704307590 BHFCJLRNPCLXFQ-VHDGCEQUSA-N 277.364 1.787 0 50 CDAA CNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 8794054 YDPSUBPZWFPWMQ-UHFFFAOYSA-N 284.381 1.912 0 50 CDAA CC[C@@H](NC(=O)c1ccn(C)c1)[C@H](O)C(F)(F)F 334011534 XEHINMNWVIWZGC-BDAKNGLRSA-N 264.247 1.457 0 50 CDAA Cc1nc(N2CCN(Cc3ccco3)CC2)n(C)n1 1704302546 PALSANDQHBZCGQ-UHFFFAOYSA-N 261.329 1.039 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)c1ccc(C)n1C(F)F 1565513624 XIRWINXFAMBMBD-ONGXEEELSA-N 288.294 1.725 0 50 CDAA CC(C)[C@](C)(NCc1cc2ccccc2oc1=O)C(N)=O 1615570862 ATQBBQMBFZVSIQ-INIZCTEOSA-N 288.347 1.783 0 50 CDAA COC(OC)c1ccc(C(=O)N[C@@H]2C[C@@H]2C)c(O)n1 1875335555 UACXNIMKNYDLLB-OIBJUYFYSA-N 266.297 1.217 0 50 CDAA O=C(Nc1nccnc1-n1cccn1)[C@H]1CCCCO1 1615612777 AIXFBUJNXHIBAP-SNVBAGLBSA-N 273.296 1.170 0 50 CDAA O=C([C@@H]1Cc2ccc(Cl)cc21)N1CCO[C@H]2CNC[C@H]21 1616040476 MCAOGWZUNCGWBU-MCIONIFRSA-N 292.766 1.179 0 50 CDAA NCC[C@H](NC(=O)N1CCOC2(CCC2)C1)C(F)(F)F 667868575 DWOLWYSPUKXSGJ-VIFPVBQESA-N 295.305 1.231 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)N2CC(c3ccncc3)C2)C1 1616166170 JDRACWVOKKIHDB-NEPJUHHUSA-N 274.320 1.508 0 50 CDAA COc1cnc(C(=O)N2CCCC23CCOCC3)nc1 1614950060 BZKPKKIOJRJATC-UHFFFAOYSA-N 277.324 1.270 0 50 CDAA NC(N)SCc1cccc(CSC(N)N)c1Cl 19321690 KLJSVNWIDRXUAQ-UHFFFAOYSA-N 292.861 1.208 0 50 CDAA O=c1oc2ccccc2c2c1ncn2CCN1CCOCC1 19691063 KZCFGMUFLJWJLD-UHFFFAOYSA-N 299.330 1.475 0 50 CDAA CN(C)S(=O)(=O)Cc1cccc(Br)c1 206094239 SDOURUCTHHJRSL-UHFFFAOYSA-N 278.171 1.841 0 50 CDAA C[C@H](CN1CCOCC1)NCc1nc2ncccc2o1 1857672651 IUJRSPZBIUHQSS-LLVKDONJSA-N 276.340 1.033 0 50 CDAA CSc1ncccc1C(=O)N1C[C@H]2[C@H]3CC[C@H](N3)[C@H]2C1 1857681328 JEABLFIKURSQPM-MPZDIEGVSA-N 289.404 1.626 0 50 CDAA Cc1cccn2ncc(-c3nccn3C[C@@H]3CNC(=O)C3)c12 1875240715 XYLAETBNJKGDSI-LBPRGKRZSA-N 295.346 1.642 0 50 CDAA O=C(Cc1ccc(F)cc1Cl)N[C@H]1CCOC[C@@H]1O 629234449 KOHDNFZQOGUFSG-RYUDHWBXSA-N 287.718 1.288 0 50 CDAA C[C@H]1CCCN(C(=O)c2cccc3c2OCO3)[C@@H]1CN 237658008 XVOPMCSFPRARJR-CMPLNLGQSA-N 276.336 1.615 0 50 CDAA COCCOc1cccc(CN2C[C@@H](OC)C[C@H]2CO)c1 343954838 NAEZQHFWTXDRRP-HOCLYGCPSA-N 295.379 1.293 0 50 CDAA Cc1cc(C)n(CC(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)n1 247896247 HHALAIGMDSKXQW-OLZOCXBDSA-N 291.351 1.069 0 50 CDAA CC(C)O[C@@H](CN1CC[C@H](C(N)=O)C1)c1ccccc1 585085634 AYRKUGJELCTNCV-GJZGRUSLSA-N 276.380 1.960 0 50 CDAA N[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 162000152 HWURJLWDGARELX-VXGBXAGGSA-N 285.347 1.528 0 50 CDAA CCc1ocnc1C(=O)NC[C@H](C)CN1CCCC1 265781486 KCHHGCLDQHSVMO-NSHDSACASA-N 265.357 1.699 0 50 CDAA O=C(O)[C@@H]1c2ccoc2CCN1C(=O)CCc1cn[nH]c1 910205529 NQJZNCLROSRDQO-ZDUSSCGKSA-N 289.291 1.146 0 50 CDAA C=CC(=O)NC1CCN(c2cc(CC)ncn2)CC1 848979623 UFQIJJJRUUMGCQ-UHFFFAOYSA-N 260.341 1.310 0 50 CDAA CCn1nncc1CN1CCC(c2ncco2)CC1 931445194 ISXKICDHEQDNPB-UHFFFAOYSA-N 261.329 1.666 0 50 CDAA CC1(C)OC[C@H]2C[C@@]21NC(=O)Nc1ccnc2ccnn12 934982732 YQJGXZXBHVHTAD-YMTOWFKASA-N 287.323 1.418 0 50 CDAA O=C(NC1(C(=O)O)CC1)c1cc(Cl)c2c(c1)OCCO2 203656260 RBNRSIWJLIHOLU-UHFFFAOYSA-N 297.694 1.458 0 50 CDAA COCCNC(=S)Nc1ccc2nsnc2c1 8830257 BQLHAWIOVUHDQD-UHFFFAOYSA-N 268.367 1.624 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)c2cc(O)ccc2Cl)CCO1 236430021 KIKYGVWMIFUAMJ-VIFPVBQESA-N 299.710 1.361 0 50 CDAA COC(=O)c1cc2c(s1)CCOC21CCNCC1 260261321 UUPDVNZDHUDQES-UHFFFAOYSA-N 267.350 1.686 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@@H]1CCCOC1)CC1CC1 405440107 VKJIYKVNUKEKIT-MNOVXSKESA-N 255.314 1.030 0 50 CDAA Cc1nnsc1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 77538387 FLHHGOJNELMWIC-VIFPVBQESA-N 277.353 1.589 0 50 CDAA Cc1cc(NC[C@@H](O)c2ccc(O)cc2)nc(N)n1 91440832 LAZLWBBOIFQRLC-LLVKDONJSA-N 260.297 1.218 0 50 CDAA CCCc1noc(CN(C)Cc2cnc(N)s2)n1 670437016 AUHVDWFCFORHFP-UHFFFAOYSA-N 267.358 1.693 0 50 CDAA CCNS(=O)(=O)N1CCC[C@@H]1c1cccnc1 365434922 AXWZYGMDZZADLM-LLVKDONJSA-N 255.343 1.073 0 50 CDAA CN1CCN(C[C@@H]2CCCN(Cc3nccs3)C2)CC1 367622492 IFYWRZKSGNZWCX-AWEZNQCLSA-N 294.468 1.603 0 50 CDAA OCCN(Cc1cccs1)C[C@@H]1CCCOC1 1207469012 TXOGHGCOIGIQDQ-LBPRGKRZSA-N 255.383 1.969 0 50 CDAA C1=C[C@H]2C[C@H]1C[C@H]2CN1CCN(c2ncccn2)CC1 101167857 YQXCLJCAFQPUGE-KKUMJFAQSA-N 270.380 1.811 0 50 CDAA Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCNC2 19681706 YDKBLSREJVAASO-UHFFFAOYSA-N 296.374 1.264 0 50 CDAA N[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCc3ccccc3C2)C1 2325801109 WIUJYAUJLJLSNW-HUUCEWRRSA-N 294.420 1.297 0 50 CDAA CC(C)OC12CC(C1)N([C@@H](C(N)=O)c1ccccc1)C2 2325803894 INEXXJQAOIDGLF-NPCAHTBFSA-N 274.364 1.855 0 50 CDAA Cc1nn(C)c2nc(C(=O)N3C[C@H]4[C@H](C)[C@H]4C3)cc(O)c12 2325805671 BHTFNGOTORYTEC-SLGCYQGISA-N 286.335 1.320 0 50 CDAA O=C(O)CCNS(=O)(=O)c1ccccc1C(F)(F)F 74479 IHCFNIXTIKJHGG-UHFFFAOYSA-N 297.254 1.458 0 50 CDAA CN(C)CC(=O)Nc1cc(N(C)C)nc2ccccc12 198570 WYUMTIGEFJLITO-UHFFFAOYSA-N 272.352 1.801 0 50 CDAA biogenic Cc1cnnc(N2CCC3(CC2)CO[C@H](CN)C3)c1C 1857669891 BAHOTIOCCWKMGT-ZDUSSCGKSA-N 276.384 1.428 0 50 CDAA COC(=O)c1sc2ncn(CC(C)=O)c(=O)c2c1C 1980225 MDAXKXSVFQCBCZ-UHFFFAOYSA-N 280.305 1.142 0 50 CDAA CC(=O)CCc1ccc(OCCNC[C@@H](C)O)cc1 2879641 FKSROGUMHIKTCL-CYBMUJFWSA-N 265.353 1.557 0 50 CDAA CCOc1ccc(C(=O)CCN[C@@H](C(=O)O)[C@H](C)O)cc1 2922164 GQYQIBTUZZSYDH-IINYFYTJSA-N 295.335 1.082 0 50 CDAA NNc1nnc2c(n1)[nH]c1ccc(Br)cc12 6513344 OMGGGTACHGBYIJ-UHFFFAOYSA-N 279.101 1.554 0 50 CDAA C[C@H](NS(=O)(=O)c1ccc(N(C)C)cc1)c1ncc[nH]1 225830158 CRWOOMBGECIIQG-JTQLQIEISA-N 294.380 1.515 0 50 CDAA CCOC(=O)C[S@](=O)c1ccc(C(F)(F)F)cn1 1392470 KLVNOSXLJGMMBD-GOSISDBHSA-N 281.255 1.771 0 50 CDAA CCOC(=O)C(=O)CC(=O)c1c[nH]c2ccccc12 100079029 KHBIPUCDJHOGEE-UHFFFAOYSA-N 259.261 1.873 0 50 CDAA biogenic CC(C)[C@@H](N)CCN(C)C(=O)C(=O)N[C@H](C)CC1CC1 419028496 DTYHDKFJKKAPAI-YPMHNXCESA-N 283.416 1.123 0 50 CDAA O=C(CCN1CCCCCCC1)N1CCCOCC1 55308694 QPZVZIFDMPWKIU-UHFFFAOYSA-N 268.401 1.892 0 50 CDAA O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)N1CCCCC1 346027406 NPUFNVJWFSXLCN-ZYHUDNBSSA-N 294.317 1.387 0 50 CDAA CCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10323945 WZHKUEIGJAYRIP-JTQLQIEISA-N 296.392 1.537 0 50 CDAA CS(=O)(=O)Nc1cccc(C(=O)NC2CCCC2)c1 10366997 BWGLGLHFBGCDAO-UHFFFAOYSA-N 282.365 1.731 0 50 CDAA Cc1cccc(C)c1OC[C@@H](O)CN1CCC[C@@H](O)C1 229106483 TYFXLGFJCDVAIB-CABCVRRESA-N 279.380 1.500 0 50 CDAA O=S1(=O)CCN(C2CCC3(CCNCC3)CC2)CC1 67856730 UDJORGQZEQSFKW-UHFFFAOYSA-N 286.441 1.029 0 50 CDAA CC[C@H](C)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 251841749 LNVBLCNHFIRHIT-HBNTYKKESA-N 266.341 1.076 0 50 CDAA Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cccnc2)sn1 353548438 VXYUMTXRHHHYEC-VIFPVBQESA-N 290.348 1.662 0 50 CDAA Cc1nc2ccc(C(=O)N[C@H]3CCCNC3=O)cc2nc1C 64092666 UYKJOPWLEHQKHP-ZDUSSCGKSA-N 298.346 1.255 0 50 CDAA COCCN(Cc1cncs1)C(=O)[C@@H]1CCO[C@@H]1C 330983062 QUYYGFYUCLTPFB-ZYHUDNBSSA-N 284.381 1.543 0 50 CDAA Cc1nc(N(C)Cc2ccn[nH]2)c2nc(C)oc2n1 63856189 DIPABFGTURMWMS-UHFFFAOYSA-N 258.285 1.594 0 50 CDAA COCCn1cc(NC(=O)NC[C@H]2CCCC[C@@H]2O)cn1 172688570 NZPDNSQCABHLHD-YPMHNXCESA-N 296.371 1.202 0 50 CDAA Cc1cccc([C@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3)N(C)C)c1 65375381 YMXMKVQFRRYDOY-OWCLPIDISA-N 287.407 1.561 0 50 CDAA C[C@@H]1C[C@@H](C(=O)Nc2nc(-c3cnn(C)c3)cs2)CO1 331418797 RALQWKFSTWYQBY-RKDXNWHRSA-N 292.364 1.907 0 50 CDAA O=C(O)c1cnc(COc2cccc3cccnc23)[nH]c1=O 67601961 ABFKJJSGLRSBMW-UHFFFAOYSA-N 297.270 1.595 0 50 CDAA COCCN1CC[C@@H](C(=O)N2C[C@H]3CC=CC[C@H]3C2)C1 65376241 XXPUGQRCHBVYJJ-QLFBSQMISA-N 278.396 1.379 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)N2CCSCC2)n[nH]1 124876917 LGJLEYGMDJRZFV-SECBINFHSA-N 268.386 1.408 0 50 CDAA O=C(O)c1nn(-c2cccc(Cl)c2)ccc1=O 1394422 QABLUNAOVCIREM-UHFFFAOYSA-N 250.641 1.584 0 50 CDAA COc1cc(CCNC(=O)C2(C(=O)O)CC2)ccc1C 154921914 DWOXOVMATNHIIP-UHFFFAOYSA-N 277.320 1.527 0 50 CDAA CC[C@H](N)C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 253432748 NKALIXWFNBCPJQ-UBHSHLNASA-N 262.353 1.712 0 50 CDAA O=C(N=c1[nH][nH]c2ccc(F)cc12)[C@@H]1C[C@@]12CCOC2 329743592 QDMSWKINNXAVIF-IINYFYTJSA-N 275.283 1.489 0 50 CDAA COC[C@H](C)C(=O)N1CCC[C@H]1c1cc(C)on1 363382953 GQLIZJXGRFNQKL-CABZTGNLSA-N 252.314 1.929 0 50 CDAA CC1=C(C(=O)NCCn2nc(C)cc2C)C(=O)OC1(C)C 32498187 LLFWZEDBEYUQJO-UHFFFAOYSA-N 291.351 1.268 0 50 CDAA Cc1cnc(CCNC(=O)[C@@](C)(O)C2CCC2)s1 240569326 GZOOQEKSETVTDY-ZDUSSCGKSA-N 268.382 1.661 0 50 CDAA C[C@H]1CCC[C@@H](C)[C@@H]1NCCN1C(=O)NC(C)(C)C1=O 240668510 HNDQKGZCBDRNMJ-GDNZZTSVSA-N 281.400 1.731 0 50 CDAA Cc1cc(C)n(C[C@@H](C)Nc2nc(C)nc3c2CNC3)n1 72142939 SELXHTGOVZHTOE-SNVBAGLBSA-N 286.383 1.702 0 50 CDAA O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@H]1CC[C@@H](C(=O)O)C1 236440530 MTUAUIKTLKTSPI-JGVFFNPUSA-N 290.275 1.561 0 50 CDAA C[C@@H](Cc1cnccn1)NC(=O)c1ccc2n[nH]nc2c1 216531513 VIXFCDRCCRWHNF-VIFPVBQESA-N 282.307 1.109 0 50 CDAA Cc1cnc(CCNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)nc1 332773976 YWLPVNNSUOVPMT-RYUDHWBXSA-N 275.352 1.449 0 50 CDAA COC(=O)c1c(F)c(F)c(C(=O)OC)c(F)c1F 35924229 JCEMPCVTIITKAC-UHFFFAOYSA-N 266.146 1.816 0 50 CDAA COc1cccc(SCC(=O)N2CCOC[C@H](O)C2)c1 77355961 HQSCFWSOUSTXNL-LLVKDONJSA-N 297.376 1.007 0 50 CDAA CCCc1cc(NC[C@@H]2CCCN2)n2nccc2n1 72412108 FAPRYUYQZNZYBE-LBPRGKRZSA-N 259.357 1.846 0 50 CDAA C[C@H]1CN(C(=O)N=c2ccc(C3CC3)n[nH]2)C[C@@H](C)N1C 333312494 FCZYUKWEHPDRQF-PHIMTYICSA-N 289.383 1.332 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1ccncc1F 284630111 BMBIFKNQGNFLOM-BXKDBHETSA-N 290.298 1.671 0 50 CDAA Cc1ccncc1NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1 262314866 QTRWKLQGKXGOIS-OLZOCXBDSA-N 285.351 1.065 0 50 CDAA Cc1cnc(C(=O)N[C@H]2COc3ccccc3C2)[nH]1 215115026 CUNPWGABSYTCKV-LLVKDONJSA-N 257.293 1.452 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2CC(OC(F)F)C2)CCC1=O 336165670 NTMMLCYMQYDEPO-SFYZADRCSA-N 261.268 1.442 0 50 CDAA CCCc1oncc1C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 77485511 YFWKROCJGCTFCM-CMPLNLGQSA-N 263.341 1.403 0 50 CDAA CNC(=O)C1CN(Cc2cc(Cl)ccc2F)C1 284843160 CDOUSXYLLKFMCF-UHFFFAOYSA-N 256.708 1.657 0 50 CDAA Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)no1 219927363 OGPVOVGIGHZCBX-KGLIPLIRSA-N 294.351 1.687 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(C)nc(O)c1 133683706 WOUCRMVNMLWYTE-UHFFFAOYSA-N 289.291 1.771 0 50 CDAA CCc1nc(CNc2nccc(-c3cn(C)nc3C)n2)no1 48368556 UUOOOQZUBYJRNM-UHFFFAOYSA-N 299.338 1.743 0 50 CDAA C[C@@]1(CNC(=O)CCc2cscn2)CCCO1 176493952 VGUUQAWOFBPGPZ-LBPRGKRZSA-N 254.355 1.761 0 50 CDAA CCCc1cc(C(=O)NC[C@H](O)c2cccnc2)no1 82097641 PSRFBWZLHRLVAR-ZDUSSCGKSA-N 275.308 1.486 0 50 CDAA CN(C(=O)Cc1cnccn1)C1Cc2ccccc2C1 223061746 CMNXHGOVKREBBN-UHFFFAOYSA-N 267.332 1.645 0 50 CDAA CC1CCC(NC(=O)COc2coc(CO)cc2=O)CC1 177088737 JDJVJXSQYQGZKJ-UHFFFAOYSA-N 295.335 1.206 0 50 CDAA Nc1cccc(C(=O)N2CCC(Nc3cccnn3)CC2)c1 178771245 NIFHCBHHNDZVPI-UHFFFAOYSA-N 297.362 1.776 0 50 CDAA CCOCCCNC(=O)N1CCC[C@@H](Cn2ccnc2)C1 426589861 YODGJMHNGWMGQK-AWEZNQCLSA-N 294.399 1.731 0 50 CDAA CS(=O)(=O)c1ccc(-c2ccc(F)c(C(N)=O)c2)cc1 426465490 SKQNGCPYGCPFIF-UHFFFAOYSA-N 293.319 1.995 0 50 CDAA CC(C)(C)OC(=O)N1CC(S(=O)(=O)CC2CC2)C1 230459316 VJPZMUAMVZSWRA-UHFFFAOYSA-N 275.370 1.431 0 50 CDAA CN(C(=O)c1c[nH]nc1-c1ccccc1F)[C@@H]1CCNC1 179095453 HKZBVOJJCGVONW-SNVBAGLBSA-N 288.326 1.650 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)C1 179220589 RMRZSEOCIVCHFB-OCCSQVGLSA-N 299.378 1.467 0 50 CDAA COCC1(NC(=O)[C@H](C)n2ccnc2)CCCC1 426534015 GXFFYUVQUOAUBL-NSHDSACASA-N 251.330 1.520 0 50 CDAA C[C@]1(C(=O)NCCCNc2cccnc2)CCCO1 426545492 VPLYEPPEZXPCOB-CQSZACIVSA-N 263.341 1.569 0 50 CDAA Cc1ncc(C(=O)N2CCN3CCCC[C@@H]3C2)c(C)n1 97632138 KUDMASNSUBDQKL-CYBMUJFWSA-N 274.368 1.404 0 50 CDAA Cc1cc(C)n(CCNC(=O)[C@H]2CC=CCC2)c(=O)n1 244748517 OJBQDBOMHHUAGT-ZDUSSCGKSA-N 275.352 1.333 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cncs1 243892436 AIDOSMNDWVNWQH-SSDOTTSWSA-N 264.354 1.984 0 50 CDAA C[C@@H]1CCCCN1C1CN(CCCn2cccn2)C1 244778698 PUYQKWKPJDVYMA-CQSZACIVSA-N 262.401 1.832 0 50 CDAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCOC1)CC2 342435267 XQTMFVHQPHPJLO-ILXRZTDVSA-N 280.412 1.887 0 50 CDAA Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC(=O)N1)[C@H](C)C2 183177005 XZSQYYOQLOCGHJ-WDBKCZKBSA-N 272.348 1.623 0 50 CDAA COCC(C)(C)NC(=O)c1ccnc(O[C@@H]2CCOC2)c1 183816143 HNKFLYFXKDANPA-GFCCVEGCSA-N 294.351 1.404 0 50 CDAA Cc1cnc([C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)C2CC2)s1 299748325 GYAKNSABBRICJF-LPEHRKFASA-N 280.349 1.740 0 50 CDAA O=C(NCCc1ccc(-n2cccn2)cc1)[C@H]1C[C@H]1C(=O)O 299753121 WXBDNUYFRGLPMD-UONOGXRCSA-N 299.330 1.252 0 50 CDAA CN(Cc1cnc(NCC(=O)O)nc1)CC1CCCCC1 534638688 KFFQWQMQFAXZQZ-UHFFFAOYSA-N 292.383 1.985 0 50 CDAA Cc1c(CNC(=O)C[C@@H]2CNCCO2)oc2ccccc12 269237357 XDMHZTVZWYQGPN-GFCCVEGCSA-N 288.347 1.736 0 50 CDAA C1CN(c2noc(C3CC3)n2)CC2(C1)CCNCC2 534582471 XLOPLXQKLZYUTR-UHFFFAOYSA-N 262.357 1.917 0 50 CDAA CN(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)O 299786377 WZABREBHSLQFDF-UHFFFAOYSA-N 287.319 1.669 0 50 CDAA Cc1cncc(NC(=O)C2(N)Cc3ccccc3C2)c1 649332040 SNEHQTNZYGMJMX-UHFFFAOYSA-N 267.332 1.825 0 50 CDAA OC[C@H]1CCCCN1CCCNc1cnccn1 828711023 ZILHXPISVOJVRN-GFCCVEGCSA-N 250.346 1.125 0 50 CDAA O=C(O)CNC(=O)N[C@@H]1CCCN(Cc2cccs2)C1 828013098 PLTOQMXUHVNNPR-SNVBAGLBSA-N 297.380 1.096 0 50 CDAA CN(C)[C@@H](Cn1cnc2ncncc2c1=O)c1ccco1 823652662 XFPFURMLOJLDCA-NSHDSACASA-N 285.307 1.082 0 50 CDAA COc1ccnc(-c2nc(CC(C)C)nn2CCO)c1 828778375 MAVKGSCJIAHIMP-UHFFFAOYSA-N 276.340 1.540 0 50 CDAA COC(=O)[C@]12C[C@@H]3[C@H]([C@@H]1C(C)=NN2C(C)=O)C3(C)C 584904341 YDKGIZGIQKTBSY-DEKYYXRVSA-N 264.325 1.428 0 50 CDAA Cc1cn(CC(=O)N[C@H](C)C2=CCCCC2)c(=O)nc1O 827860855 LZJJZNCTBRWNND-LLVKDONJSA-N 291.351 1.262 0 50 CDAA Cc1ccccc1S(=O)(=O)Cc1cnn(C)n1 585136643 OAOBIJVPBOLHPZ-UHFFFAOYSA-N 251.311 1.097 0 50 CDAA Cc1noc(C)c1CCC(=O)NCc1cnc2cnccn12 670437038 GKYMPEZUYJIBHB-UHFFFAOYSA-N 299.334 1.583 0 50 CDAA Cc1nccn1CC1(Cn2cnc3cnccc3c2=O)CC1 584902026 QTELAGOUZXSRSU-UHFFFAOYSA-N 295.346 1.777 0 50 CDAA CC(C)(C)[C@@H](CO)Nc1ccc2nnc(C(F)F)n2n1 271332126 QLOPKCXTSXGJRI-SSDOTTSWSA-N 285.298 1.881 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 630204300 PCRIHODUWVCSQR-SQRMYFJTSA-N 299.367 1.138 0 50 CDAA N[C@@H](C(=O)NC[C@H]1CNCc2ccccc21)c1ccccc1 1875268149 VOZBKJCOHADDSM-NVXWUHKLSA-N 295.386 1.690 0 50 CDAA CC1(C)C[C@@H]1NC(=O)CN1C(=O)Cc2cc(F)ccc21 1875301736 RNJJMPDJPFUGMY-LBPRGKRZSA-N 276.311 1.630 0 50 CDAA Cn1cc(-c2cccc(NC(=O)c3cc(O)nn3C)c2)nn1 1875318465 RBESEHQYJLZFPH-UHFFFAOYSA-N 298.306 1.174 0 50 CDAA CN(C)C/C=C/C(=O)NC1CC(O)(c2ccc(F)cc2)C1 1875374430 PVSVQZXGOPIMIK-ONEGZZNKSA-N 292.354 1.410 0 50 CDAA CN(C)c1ccc(C(=O)NC[C@@H]2[C@H]3CCC[C@H]2NC3)cn1 1875344937 PHUSSTVZNUYDPJ-IACUBPJLSA-N 288.395 1.266 0 50 CDAA Cc1ccsc1C(=O)N1CCc2c(C(=O)O)n[nH]c2C1 1875338186 PGTZUAHGLQSROU-UHFFFAOYSA-N 291.332 1.676 0 50 CDAA Oc1nc(O)c2c(n1)CN(CC[C@@]13CCC[C@@H]1C3)C2 1875315646 CGAHEVTXQZVRJL-YMTOWFKASA-N 261.325 1.784 0 50 CDAA CSCC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 952980032 FBFOVSBRDCUPKE-AWEZNQCLSA-N 288.376 1.642 0 50 CDAA CCN1C[C@H](CN(C)C(=O)CCSC)CC1=O 952969270 MNYVMIHUUVSVAG-JTQLQIEISA-N 258.387 1.066 0 50 CDAA COC(=O)c1ccc(NC(=O)c2cccnc2)c(O)c1 170533281 ZVODOIWYFXVIAA-UHFFFAOYSA-N 272.260 1.826 0 50 CDAA O=C1CC(C2CCOCC2)=NN1c1ncc(Cl)cn1 899351330 GXCSBIQRNMJXNV-UHFFFAOYSA-N 280.715 1.649 0 50 CDAA COc1cc2c(cc1CN1C[C@H]3CCN[C@H]3C1)OCO2 1565508842 XJSSIIHMQQRQOR-PWSUYJOCSA-N 276.336 1.218 0 50 CDAA C[C@H]1CN(CCCn2cccn2)C[C@]1(O)C1CCC1 1565513552 HSCKKJPKZCPESK-DZGCQCFKSA-N 263.385 1.756 0 50 CDAA O=C(Nc1ccc(Cl)c(F)c1)N[C@H]1CCNC[C@@H]1O 1565512102 ACHYCGJPTCTBAM-QWRGUYRKSA-N 287.722 1.323 0 50 CDAA CC(C)c1ocnc1C(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565513798 CVHBPIRZPVGQJN-UWVGGRQHSA-N 277.324 1.348 0 50 CDAA CCc1ocnc1C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 275469499 RBWTZJJHLMCLNV-LLVKDONJSA-N 295.383 1.154 0 50 CDAA CC(C)C[C@H]1C(=O)NCCN1C(=O)Nc1ccncc1 170602946 SKLGCIVIZBVAEG-LBPRGKRZSA-N 276.340 1.460 0 50 CDAA NC(=O)C[C@H]1CCCCN1C[C@@H](O)CC1CCCC1 170608546 JETPGZPPIZDIOF-KGLIPLIRSA-N 268.401 1.658 0 50 CDAA CCCc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3[C@H]2COC)n[nH]1 1074617506 VOXYWWSTSNLBOI-ZMJPVWNMSA-N 293.367 1.142 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CO[C@H](C(=O)O)C2)C1 91303350 XWLXLEQWTDDMRL-IINYFYTJSA-N 285.340 1.877 0 50 CDAA in-vitro O=C(c1ccc2c(c1)COB2O)N1CCC(C2CCC2)CC1 585006505 MIBCUYFPHRKLJJ-UHFFFAOYSA-N 299.179 1.557 0 50 CDAA CCc1ccc(CN=c2cc(C(=O)OC)nc[nH]2)s1 585132873 CSSLPAOOZQXXTN-UHFFFAOYSA-N 277.349 1.921 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)O)C1 96950183 YMXWYGOCCMEURX-GFCCVEGCSA-N 259.302 1.223 0 50 CDAA in-vitro CS(=O)(=O)N[C@H](CC(=O)O)c1ccc(F)cc1F 681574726 IPXZRHOWPFSXJU-SECBINFHSA-N 279.264 1.030 0 50 CDAA Cn1ncnc1CNc1nc(C(F)(F)F)cs1 301780863 SPRXMBUFTSPTFP-UHFFFAOYSA-N 263.248 1.903 0 50 CDAA CCCNc1ccccc1NC(=O)[C@H]1COCCO1 190127589 MLHPCATVCHBIMU-CYBMUJFWSA-N 264.325 1.862 0 50 CDAA C[C@H](O)CN1CCN(Cc2cccs2)[C@H](C)C1 225425791 JZGBVOSLDZUXOF-NEPJUHHUSA-N 254.399 1.635 0 50 CDAA CN1CCO[C@H](CNCc2ccc(OCC3CC3)cc2)C1 190960367 XQKJTXKPCVWEHI-QGZVFWFLSA-N 290.407 1.896 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1Cc2ccccc21 643849109 SVLNAXSTZHRTHI-CJNGLKHVSA-N 289.331 1.419 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Oc1ccc(-n2ccnc2)cc1 192877803 COZMRCRCAICTTP-NSHDSACASA-N 296.348 1.616 0 50 CDAA Cc1ccccc1[C@@H](C(=O)O)N(C)CCn1cccn1 573617692 XLDQQCYSRQKTFF-AWEZNQCLSA-N 273.336 1.949 0 50 CDAA Cc1cccnc1N1CCC2(CC1)C(=O)N(C)C(=O)N2C 1506425928 IJWYYQADHZDMEO-UHFFFAOYSA-N 288.351 1.253 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)N[C@H]2CCN(C)C2=O)cc1 1506403682 YLOIIICCABCDCU-ZDUSSCGKSA-N 289.379 1.532 0 50 CDAA CCN1CCC[C@]2(CCCN(CCC(=O)O)C2)C1 1529151343 BODNHLYSZBXAHW-AWEZNQCLSA-N 254.374 1.659 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)Cc3ccccc3)C[C@H]2O)n[nH]1 1529160041 WTEXQARCWDPXMP-GDBMZVCRSA-N 299.374 1.323 0 50 CDAA Cc1cccc(C)c1OC1CN(CCn2cnnc2C)C1 1529195152 GSNUFPZPRYGIJS-UHFFFAOYSA-N 286.379 1.967 0 50 CDAA CSc1ncccc1NC(=O)C1=NN(C)C(=O)CC1 1875244146 AITGEKXVMFRCRK-UHFFFAOYSA-N 278.337 1.350 0 50 CDAA CC(C)n1cc(CN2CCCN(C(N)=O)CC2)cn1 408071373 KHLXADFJPSSJFK-UHFFFAOYSA-N 265.361 1.050 0 50 CDAA CCCc1cnc(C)nc1NCCc1nnc(N)s1 1704299361 ORKNWRWUKSXFDW-UHFFFAOYSA-N 278.385 1.826 0 50 CDAA O=C(CCc1ccc(O)cc1)N(CCO)Cc1ncc[nH]1 1704312931 BTDIORCJWVIRAL-UHFFFAOYSA-N 289.335 1.069 0 50 CDAA CC(=O)N(c1nnc(SC[C@@H](C)O)s1)C1CC1 576092248 XKTDMKDSXKXDTA-ZCFIWIBFSA-N 273.383 1.526 0 50 CDAA O=C(NCC1CSC1)c1cnc(F)c(Cl)c1 929083306 CDNMTAVVZIANJN-UHFFFAOYSA-N 260.721 1.967 0 50 CDAA CC(C)Cn1nccc1C(=O)N1CCC[C@@]12CCOC2 1615046956 SJQSLWZWHLARCA-HNNXBMFYSA-N 277.368 1.934 0 50 CDAA CC[C@H](C)[C@H](C(=O)Nc1ccc(OC)nc1)n1cnnn1 1615152077 PGWKYYVOKJEXHT-JOYOIKCWSA-N 290.327 1.303 0 50 CDAA Cc1cnc2c(cnn2CC(=O)Nc2cn[nH]c2)c1 1642784688 SEMSWGKQNOZAFY-UHFFFAOYSA-N 256.269 1.102 0 50 CDAA Cc1c(-c2nnc3n2-c2ccccc2OC3)cnn1C 1775983658 QIQFBVOTESFINU-UHFFFAOYSA-N 267.292 1.869 0 50 CDAA Cc1ncc(Cl)c(N2CCC[C@H](C(=O)O)C2)n1 1772709144 HZKRCYSDDJWPSY-QMMMGPOBSA-N 255.705 1.739 0 50 CDAA O=C(c1cn(C2CCCCC2)nn1)N1CCSCC1 15064785 MRQTWSWUKOFWPX-UHFFFAOYSA-N 280.397 1.972 0 50 CDAA C[C@H]1CN(C[C@@H](O)COc2ccccc2F)C[C@@H](C)O1 16286307 OIWLNRBYJZIGLL-FRRDWIJNSA-N 283.343 1.675 0 50 CDAA CC1=NC(O)=C2C(=NC(=O)C[C@@H]2c2ccc(O)cc2)N1 17028780 JTNBERKQFHPLSD-SNVBAGLBSA-N 271.276 1.596 0 50 CDAA CC(C)c1nnc2ccc(N3CCC(C(=O)O)CC3)nn12 19702819 MSKZTTLMGKBSLA-UHFFFAOYSA-N 289.339 1.549 0 50 CDAA COc1ccc2c(c1)nc(CN1CCOCC1)n2C 19900272 JWPDTYLVYAJUME-UHFFFAOYSA-N 261.325 1.414 0 50 CDAA CC(C)c1noc(C2CCN(c3cncc(N)n3)CC2)n1 1857670835 FEJVCSCZSXLZKF-UHFFFAOYSA-N 288.355 1.949 0 50 CDAA CC(C)(CN1CCOCC1)c1nccn1[C@H]1CCOC1 1857678586 OOMVLHWLTKHSKQ-ZDUSSCGKSA-N 279.384 1.454 0 50 CDAA Cc1nonc1CC(=O)N[C@@H]1CCc2c(O)cccc21 845515139 ZTNIPYVLJQMYEW-LLVKDONJSA-N 273.292 1.430 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CCCC(=O)O)C(=O)O 2597016 QDTDLMJRZPSKDM-ZETCQYMHSA-N 261.274 1.219 0 50 CDAA in-vitro CC[C@H](CNC(=O)[C@H]1CSCN1)Oc1ccccc1C 121837758 UZQLTTQKMYZHRD-CHWSQXEVSA-N 294.420 1.931 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)C[C@@H]1OCCc2ccccc21 238069380 ZTFJBNKOYBQQBP-KGLIPLIRSA-N 289.331 1.766 0 50 CDAA COc1nc(C)cc(N2CC[C@@]3(CCCN(C)C3)C2)n1 338748463 WAGJJHHABGOYMC-OAHLLOKOSA-N 276.384 1.716 0 50 CDAA CSc1cncc(N2CCN(c3ccncc3)CC2)n1 131202162 XFVVRNSEBZWUTK-UHFFFAOYSA-N 287.392 1.920 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2C[C@@H]3C(=O)O)cc1 248030978 QBDDWRLXKCGRJY-MDZLAQPJSA-N 295.360 1.479 0 50 CDAA CC(C)[C@H](NC(=O)c1ccc(O)nn1)C1(CO)CCCC1 573697105 RFKVTQZTDLLBNZ-ZDUSSCGKSA-N 293.367 1.489 0 50 CDAA Cc1cc(C(=O)NC[C@H](C)c2c(C)noc2C)[nH]n1 151848682 PQEUKXFJQBJOJJ-ZETCQYMHSA-N 262.313 1.856 0 50 CDAA Cc1cc(-n2cncn2)ccc1C(=O)N1CC[C@H]2CNC[C@H]21 368179906 OXQMBBLMWNSVIP-SWLSCSKDSA-N 297.362 1.010 0 50 CDAA CN(C(=O)C[C@@H]1CCCO1)[C@@H](C(=O)O)c1ccccc1 584908016 MOVZXEIVLHXAQG-GXTWGEPZSA-N 277.320 1.840 0 50 CDAA O=C(NC[C@@]1(CCO)CCOC1)c1occ2c1CCC2 585081847 LBFSGTAWSKPLBQ-OAHLLOKOSA-N 279.336 1.287 0 50 CDAA CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)OCCO2 4995691 LRIJSHTVMUNOCA-SECBINFHSA-N 271.338 1.535 0 50 CDAA C=CC(=O)NCC1CCN(C(=O)c2ccccc2)CC1 848979427 WIOTZVCQIQUWIG-UHFFFAOYSA-N 272.348 1.841 0 50 CDAA CCn1nnc(C)c1Cn1cc(-c2ccccc2OC)nn1 900567937 BBDFMLITGHWIFH-UHFFFAOYSA-N 298.350 1.922 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704336312 LIVZBBZPIPJHGW-NWDGAFQWSA-N 281.283 1.042 0 50 CDAA CO[C@H](C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)C1CC1 906255072 INRCSQHVZFHEQH-ZDUSSCGKSA-N 296.273 1.675 0 50 CDAA Cc1nc[nH]c1C(=O)N1CCc2occc2[C@H]1C(=O)O 910203223 RWZTXXSTGZICRB-NSHDSACASA-N 275.264 1.135 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(C=O)=NO2 1857779739 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266.307 1.470 0 50 CDAA CN(C)C(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1 685945239 BIJYVOMGGUAIGB-XDQVBPFNSA-N 278.396 1.749 0 50 CDAA Cn1cnc([C@@H]2CN(C(=O)NCc3ccccc3)C[C@H]2N)c1 1551945043 DIMNGDGIURXQLJ-ZIAGYGMSSA-N 299.378 1.056 0 50 CDAA COc1nc(-c2noc(Cc3cnn(C)c3)n2)sc1C 952993385 YBSSMDDCXZXSMF-UHFFFAOYSA-N 291.336 1.834 0 50 CDAA CCC1(CC)[C@@H](NC(=O)c2c(C)ncnc2O)C[C@H]1OC 1875268887 JWVORQHTKIEBTN-WDEREUQCSA-N 293.367 1.814 0 50 CDAA Cc1cccc([C@H](O)CNCc2cc3n(n2)CCCO3)c1 1875274111 IPVOZAUGUNOZPI-OAHLLOKOSA-N 287.363 1.797 0 50 CDAA CN(C)C/C=C/C(=O)N[C@H](C1CCC1)C(F)(F)F 1875377080 RTLTYDIQIHRGRW-TZOMUSMUSA-N 264.291 1.951 0 50 CDAA CCn1ccnc1CN(C)CCC(C)(C)c1nn[nH]n1 1875330964 JOYFWOXODLOGEB-UHFFFAOYSA-N 277.376 1.216 0 50 CDAA Cc1cccc(C2(C(=O)NC[C@H](O)c3ccnn3C)CC2)c1 886256494 HIMSBQBHNVBSAC-HNNXBMFYSA-N 299.374 1.610 0 50 CDAA C[C@]1(N)CCCC[C@@H]1C(=O)NCCCc1cc(O)n[nH]1 888096794 QWIRLWFPQLTZKE-RISCZKNCSA-N 280.372 1.072 0 50 CDAA Cc1ocnc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 888095146 RDYMRAFAGWBLPQ-NWDGAFQWSA-N 290.323 1.446 0 50 CDAA CCc1cc(C(=O)N[C@H]2CCOC23CCCC3)n[nH]1 890424101 HIVHSKRMUNLQML-LBPRGKRZSA-N 263.341 1.804 0 50 CDAA CCc1ncnc(N2CCN(c3ccnnc3)CC2)c1F 895962403 FXMQDNBTGSAFRF-UHFFFAOYSA-N 288.330 1.295 0 50 CDAA CC1(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)CC1 1771664661 WWEUCQBZZSXSAK-UHFFFAOYSA-N 289.360 1.974 0 50 CDAA CC1(NS(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1 1346493948 WGVZSWMUHDASCW-UHFFFAOYSA-N 265.334 1.646 0 50 CDAA CC(C)c1nnsc1CNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565514951 YZLKGCFIOVXEHX-BDAKNGLRSA-N 297.380 1.779 0 50 CDAA Cc1cc(NC(=O)c2cnn[nH]2)nn1[C@H](C)C1CC1 680228130 QCVJLQOYZCVYSU-MRVPVSSYSA-N 260.301 1.533 0 50 CDAA CCCc1cc(N2CC(O)(CC)C2)n2ncnc2n1 276548956 YBYVCFJZZHCTHM-UHFFFAOYSA-N 261.329 1.038 0 50 CDAA CNC(=O)c1ccc(NC(=O)C2CCSCC2)nc1 276911740 QHHYAFJXSFMZGZ-UHFFFAOYSA-N 279.365 1.523 0 50 CDAA O=C1N[C@]2(CCOC2)C(=O)N1c1cc(F)cc(F)c1 277382607 PAEKZSDVSDQFKX-LBPRGKRZSA-N 268.219 1.180 0 50 CDAA C[C@H](CNc1ncnc2nc(N)ccc12)CN1CCCC1 170604154 XONPTPCTTNSVFF-LLVKDONJSA-N 286.383 1.751 0 50 CDAA Cc1cc(N(C)[C@H](C)C(=O)NC(C)(C)C)n2ncnc2n1 170600752 MXVSTTHOWFHHDO-SNVBAGLBSA-N 290.371 1.172 0 50 CDAA COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cn[nH]c2)c1 412870396 BTRQDUXFHUCYJV-FZMZJTMJSA-N 271.320 1.952 0 50 CDAA Cc1c([C@H]2CNC[C@@H]2C(=O)Nc2cccnc2)cnn1C 649275655 YDMIXXQTXIVWES-KGLIPLIRSA-N 285.351 1.065 0 50 CDAA COc1cccc(CS(=O)(=O)C[C@@H]2CCOC2)c1 193863245 FOEPHBHNVCPHGK-GFCCVEGCSA-N 270.350 1.647 0 50 CDAA C[C@@]1(c2ccccc2)CC(=O)N(CC2OCCO2)C1=O 194666946 VVCKENPQKCYSDC-HNNXBMFYSA-N 275.304 1.076 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)c(F)c1 195544557 CPTNCKMMCALMKZ-PWSUYJOCSA-N 286.372 1.540 0 50 CDAA Cc1ccc(O)c(C(=O)N2CC[C@@]3(CCCNC3)C2)c1 67920297 NXCAPQZYYFIYAA-MRXNPFEDSA-N 274.364 1.916 0 50 CDAA CCc1c(C)noc1NC(=O)CCc1ccnn1C 1506420381 BLJPIHJDJDQNAA-UHFFFAOYSA-N 262.313 1.850 0 50 CDAA CCc1noc(NC(=O)CNC(=O)C(C)C)c1C 1529152092 OVFKEOJOIUXYLQ-UHFFFAOYSA-N 253.302 1.256 0 50 CDAA Cn1nc(CNC(=O)C(C)(C)c2cncnc2)cc1Cl 1875299828 XNDYSRSITQBHPO-UHFFFAOYSA-N 293.758 1.458 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCCc2ccccc2)CC[C@@H]1O 1704325096 DGVMWRNVLGBHRG-QLFBSQMISA-N 277.364 1.521 0 50 CDAA CCCc1cnc(C)nc1N(C)CCC(=O)NC 1704339947 RFXAWQNHKVIZDH-UHFFFAOYSA-N 250.346 1.310 0 50 CDAA CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)O 143224250 JEBRCXVVNPFMDQ-RKDXNWHRSA-N 259.302 1.343 0 50 CDAA CCOC(=O)[C@@H]1CC/C(=N\OCc2ccccc2)CN1 144154560 TVIDTVZRRDSJGG-DLRWLJPMSA-N 276.336 1.874 0 50 CDAA COc1cc(Cl)ccc1CNC(=O)C1(C(=O)O)CC1 154874353 GBLMBCAOIIPWCT-UHFFFAOYSA-N 283.711 1.830 0 50 CDAA CCc1nc(=N[C@H](COC)C2CCOCC2)s[nH]1 585092859 QQDZXRFCPLOODW-SNVBAGLBSA-N 271.386 1.376 0 50 CDAA CCc1sc(NCCN2CCC3(C2)OCCO3)nc1C 1616034218 YISKEEIONANLRP-UHFFFAOYSA-N 297.424 1.875 0 50 CDAA c1cc(Cn2ccnc2-c2ncc[nH]2)c2ccnn2c1 1772807484 XLFNGCIMPBWSEQ-UHFFFAOYSA-N 264.292 1.969 0 50 CDAA Cc1nc(Cc2ccc3c(c2)OCO3)n([C@@H]2CCOC2)n1 1775980427 XLSXNPGFCRELAA-GFCCVEGCSA-N 287.319 1.867 0 50 CDAA N[C@H](c1ccccc1)c1nnc(NCC2CCOCC2)o1 1772707215 LZSMGVWAHAFPSV-CYBMUJFWSA-N 288.351 1.956 0 50 CDAA CCCCC(=O)N1CCN(c2ccc(C)nn2)CC1 35597926 XXTOYBZYIIBOFP-UHFFFAOYSA-N 262.357 1.624 0 50 CDAA COc1ccc(Cl)cc1CNc1nnnn1C 5019521 HHLUQAGOYJUESA-UHFFFAOYSA-N 253.693 1.484 0 50 CDAA CN(C)c1ncccc1CNC(=O)CCc1ccco1 11879369 HEJMDSLDHNFCKN-UHFFFAOYSA-N 273.336 1.990 0 50 CDAA CN(C)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 12031638 ZPSPJBPNECTHMD-OAHLLOKOSA-N 298.333 1.380 0 50 CDAA CCOC(=O)[C@@]1(CCOC)CCCN(C2CCOCC2)C1 12587694 UYAJZLWXXNNSCU-MRXNPFEDSA-N 299.411 1.847 0 50 CDAA O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CC1 15073542 WNBACJJLLGLYFJ-CQSZACIVSA-N 272.348 1.356 0 50 CDAA CC(C)CNC(=O)CCNS(=O)(=O)c1ccccc1 16649891 BCQQYFAUGVRQIV-UHFFFAOYSA-N 284.381 1.127 0 50 CDAA COc1ccccc1OCCCCN1CCNCC1 19831606 VMFZYUGFRNICGB-UHFFFAOYSA-N 264.369 1.759 0 50 CDAA O=C(CSc1ncccn1)NCc1ccsc1 19883025 WPXNVEKQGZGTOM-UHFFFAOYSA-N 265.363 1.947 0 50 CDAA Cc1nc2ccc(CNC(=O)c3[nH]cnc3C)cc2[nH]1 1857707766 ZVTMMMLQYUFPJT-UHFFFAOYSA-N 269.308 1.833 0 50 CDAA CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1 56433 AESFGSJWSUZRGW-UHFFFAOYSA-N 252.222 1.463 0 50 CDAA biogenic,in-vitro CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1=O 1433347 FGOJCPKOOGIRPA-SNVBAGLBSA-N 285.340 1.766 0 50 CDAA in-vitro C[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc2c1OCO2 237498229 HESIQCGNJHPTPG-ZJUUUORDSA-N 262.309 1.367 0 50 CDAA CC(C)C[C@H]1COCCN1C(=O)Nc1ccnnc1 333832217 LLMJUUSXJNDPBG-LBPRGKRZSA-N 264.329 1.755 0 50 CDAA Cc1c(C(=O)N2CCC(N)CC2)c(O)nc2ccccc12 237735688 WOQISCXFHCDOKW-UHFFFAOYSA-N 285.347 1.812 0 50 CDAA COCc1cccc(CC(=O)N2C[C@@H](F)C[C@H]2CO)c1 347369762 GZPWYHQRGFPKSO-KBPBESRZSA-N 281.327 1.307 0 50 CDAA COc1ccc2c(c1)CN(S(=O)(=O)[C@H]1CCOC1)CC2 265552700 UACGSJDJLRZLRD-AWEZNQCLSA-N 297.376 1.172 0 50 CDAA O=C(c1cccc2nn[nH]c12)N1CC[C@H]2OCCC[C@@H]2C1 163670694 KTGFVBXROBKCHL-ZWNOBZJWSA-N 286.335 1.599 0 50 CDAA O=C(Nc1ccc2nccnc2c1)[C@H]1C[C@H]2CC[C@H]1NC2 394630306 BPRLYPKMXOFFPN-KGYLQXTDSA-N 282.347 1.956 0 50 CDAA CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(OC)c1 270170 QXKJFAONGHTPPZ-SECBINFHSA-N 273.354 1.781 0 50 CDAA CCO[C@@H]1CCCC[C@H]1NC(=O)Nc1nnn(C(C)C)n1 933457753 UWGOYONUUAWDFQ-GHMZBOCLSA-N 296.375 1.723 0 50 CDAA C[C@@H]1c2nncn2CCN1C(=O)c1cc(C2CC2)nn1C 935619690 YKWTVWYHNIVDCN-SECBINFHSA-N 286.339 1.106 0 50 CDAA COc1cc(C(=O)N2CCC[C@@H]2C2(O)CC2)ccc1F 1772814470 BJDXMTYBIOTHKK-CYBMUJFWSA-N 279.311 1.964 0 50 CDAA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCOCC1 234144 KHZHGDWXNMMXHF-MFKMUULPSA-N 263.293 1.074 0 50 CDAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nncs1 433784 NJGLIHRBMPZTPK-RNFRBKRXSA-N 255.299 1.368 0 50 CDAA C[C@@H](CN(C)C(=O)[C@H]1CCOc2ccccc21)C(=O)O 111185435 NAKKJNQGKCRSNB-JQWIXIFHSA-N 277.320 1.732 0 50 CDAA COc1cccc(OC[C@H](O)CNC2CCCC2)c1 4320496 SHHURLJGQDGSSL-CYBMUJFWSA-N 265.353 1.967 0 50 CDAA COC[C@H](CO)NCc1ccc(Cl)c2cccnc12 229081435 VJTDSKOJPYSOEY-NSHDSACASA-N 280.755 1.985 0 50 CDAA COc1ccc(C[C@H](C)NCCN2CCOCC2)cc1 23283340 BZAUUIFCGIRSNS-AWEZNQCLSA-N 278.396 1.548 0 50 CDAA CN1CCC(CNC(=O)c2ccc3c(c2)CNC3)CC1 156744553 IBNAWVKSVZDGGO-UHFFFAOYSA-N 273.380 1.361 0 50 CDAA Cc1ncc(CN[C@@H](CO)C2CCCCC2)n1C 568901577 BLURIRABJFUDTL-AWEZNQCLSA-N 251.374 1.759 0 50 CDAA O=C(Cc1cccc(O)c1)N1CCC2(CCO2)CC1 374442433 VRDKMNJDSPNJAR-UHFFFAOYSA-N 261.321 1.716 0 50 CDAA CCOCC(C)(C)NC(=O)[C@H]1CC12CCNCC2 386201075 UYKKYLUBZMPDIO-LLVKDONJSA-N 254.374 1.307 0 50 CDAA CC1(C)CCC[C@@H]1NC(=O)[C@@H]1CCn2nncc2C1 2325790187 WOCVUVJFPHZPKD-PWSUYJOCSA-N 262.357 1.535 0 50 CDAA Cc1c(C(=O)Nc2cc(F)ncc2F)cnc2ccnn12 2325819419 DJBUAJPHLANGRS-UHFFFAOYSA-N 289.245 1.963 0 50 CDAA N[C@@H](C(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccns1 2325829490 KYXZTBNXRCRKEG-JOYOIKCWSA-N 297.380 1.246 0 50 CDAA CN1C(=O)c2cccc(N[C@@H]3CCC[C@H]3C(=O)O)c2C1=O 2325886089 LXDJNCHFXWQPOP-PSASIEDQSA-N 288.303 1.578 0 50 CDAA CCc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1 32605 CBSMTSPBUDUITL-UHFFFAOYSA-N 294.361 1.662 0 50 CDAA O=C(O)CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1 56969 AYOCGDFDOZVEKT-NSHDSACASA-N 293.275 1.373 0 50 CDAA in-vitro CC(=O)NC1=NN(C(C)=O)[C@](C)(c2cccs2)S1 89943 BIPYEWPIKKNUMI-NSHDSACASA-N 283.378 1.923 0 50 CDAA COC(=O)C[C@]1(C)NN=C(c2ccccc2)S1 366888 OVPZUEOSSQZWNB-GFCCVEGCSA-N 250.323 1.964 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccnc1 442144 YPGGWPBGMSAMJP-LLVKDONJSA-N 261.281 1.273 0 50 CDAA Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)c(C)c1 514585 RUSIXYXIGZMZSY-UHFFFAOYSA-N 260.337 1.641 0 50 CDAA CCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1 557560 UTZOXSFTGGIPNN-UHFFFAOYSA-N 295.730 1.672 0 50 CDAA CCOc1cc(CO)ccc1OCC(=O)N1CCCCC1 575662 XARYNIYAGVXTRM-UHFFFAOYSA-N 293.363 1.969 0 50 CDAA COC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1054601 IRZAFFQOSSKPMK-UHFFFAOYSA-N 284.337 1.649 0 50 CDAA C=COCCNC(=O)C(=O)Nc1ccc(C)cc1C 2942961 UHWLIHOJEOYBIM-UHFFFAOYSA-N 262.309 1.518 0 50 CDAA COc1ccccc1NC(=O)C(=O)NC1CCCC1 2993687 CBFSXQPMWAFSAQ-UHFFFAOYSA-N 262.309 1.693 0 50 CDAA Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)O)nn12 4294500 HICPQYFGBKSXLS-UHFFFAOYSA-N 271.280 1.445 0 50 CDAA COC(=O)NCCc1cc(OC)c(OC)cc1N 4710188 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C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc2c(O)n[nH]c2c1 1615549976 OUAMSQWMIDMISX-GXSJLCMTSA-N 289.335 1.644 0 50 CDAA C[C@@H](N)C(=O)N(Cc1cccnc1)Cc1ccco1 158023197 HEVFINFQMNVXDM-LLVKDONJSA-N 259.309 1.551 0 50 CDAA COC(=O)C[C@@H](C)CNc1ccccc1CS(C)(=O)=O 585085409 IKGSMPCEMNHODK-LLVKDONJSA-N 299.392 1.842 0 50 CDAA Cc1nc(C)n(CCCNc2ncc(F)c(N(C)C)n2)n1 1772705643 VAOAGKPQCRPQFX-UHFFFAOYSA-N 293.350 1.392 0 50 CDAA COC(=O)C1(C)C[C@]2(C)C[C@](C)(C1)C(=O)NC2=O 5677160 PIAFNWDKXUBYFW-FUNVUKJBSA-N 253.298 1.019 0 50 CDAA CCOC(=O)c1c[nH]c2ccccc2c1=NCCO 5958595 QBDVAMMHCDDOBS-UHFFFAOYSA-N 260.293 1.238 0 50 CDAA COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 18265696 VEFOLTSVVXLPGV-UHFFFAOYSA-N 296.282 1.466 0 50 CDAA C[C@@H]1CN(c2ccccc2F)CCN1C[C@@H](O)C(C)(C)O 1650251781 MLYPLRLVFWWIRZ-IUODEOHRSA-N 296.386 1.468 0 50 CDAA Cc1cccc(C)c1OC1CN(c2cncc(N)n2)C1 1857679404 KJSPBXUOOVGCQD-UHFFFAOYSA-N 270.336 1.943 0 50 CDAA C[C@H]1CN2C[C@H](NC(=O)/C=C/c3ccccc3)C[C@H]2CO1 1857723516 JKAJVVBRHJSMOZ-IIUITYHTSA-N 286.375 1.678 0 50 CDAA C[C@H]1CN(CCC2CCN(CCC(=O)O)CC2)C[C@@H](C)O1 237663851 GVCJBDMXBYBJDJ-OKILXGFUSA-N 298.427 1.672 0 50 CDAA CO[C@H]1COC[C@H]1n1ccnc1-c1cnn2cccnc12 1875247003 OZSYHOBMCFEXSQ-NEPJUHHUSA-N 285.307 1.179 0 50 CDAA O=C(Cc1ccc(O)cc1Cl)N1C[C@H]2[C@H](O)CC[C@H]2C1 408186810 JMNQPBCWISNZHL-ZKYQVNSYSA-N 295.766 1.817 0 50 CDAA N[C@H](C(=O)O)c1ccc(I)cc1 2582480 SHUIEJDVWZHDTI-ZETCQYMHSA-N 277.061 1.376 0 50 CDAA in-vitro CN(C(=O)COc1ccccc1)[C@@]1(C)CCS(=O)(=O)C1 4279899 QDRXSOPZSNVTKZ-AWEZNQCLSA-N 297.376 1.101 0 50 CDAA Cc1cccnc1CCNC(=O)N1C[C@H](F)C[C@@H]1CO 459016779 YFXGEQPUFPYYCD-VXGBXAGGSA-N 281.331 1.047 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)N1CCNC(=O)c2ccccc21 253428402 PZNGHYYRABIZLN-MFKMUULPSA-N 274.320 1.188 0 50 CDAA CSc1cc(NC(=O)COC[C@H]2CCCO2)ncn1 585125677 AUVNVHLFLSASRR-SECBINFHSA-N 283.353 1.333 0 50 CDAA NC(=O)Cc1csc(Nc2ncnc3ncccc23)n1 163287596 DPUYJVZMARKEGN-UHFFFAOYSA-N 286.320 1.253 0 50 CDAA O=C(Nc1cccc2c1CCNC2)[C@H]1CC[C@@H](C(=O)O)C1 386761200 GMKGGYBQJKLIRA-WDEREUQCSA-N 288.347 1.772 0 50 CDAA c1cnc(N2CCC[C@@H]2c2nc(-c3cocn3)no2)nc1 809475315 NPZSZXAEMWJFMT-SNVBAGLBSA-N 284.279 1.856 0 50 CDAA O=C([C@@H](O)c1cccc(Cl)c1)N1CCc2n[nH]cc2C1 1144821460 LRBARVRCAQPLJU-ZDUSSCGKSA-N 291.738 1.681 0 50 CDAA C[C@@H]1CN(CC(=O)NC2CCCCCC2)C[C@@H](C)O1 20572386 XBCVMFJMXMBDPY-CHWSQXEVSA-N 268.401 1.935 0 50 CDAA C[C@H](O)C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 225414786 DIBSKXNIPRWHLD-WFASDCNBSA-N 276.380 1.176 0 50 CDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H]2CCCC[C@H]21 230067291 XBYVDBLWVSFAHC-NEPJUHHUSA-N 299.396 1.359 0 50 CDAA C[C@@H](CC(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1 237334696 YQDNSLJVGJAQOX-WCQYABFASA-N 277.320 1.492 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NC2(C(=O)O)CCCCC2)CCO1 262621930 GTXCUPBEOGIAKJ-MNOVXSKESA-N 269.341 1.705 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)c2cccc(Cl)c2)C1 311160084 YETPUGZHHUYQQH-RYUDHWBXSA-N 269.728 1.562 0 50 CDAA O=C(C[C@@H]1CCCNCC1)NCc1cccnc1O 638726256 PEMBVHULWRODOX-LLVKDONJSA-N 263.341 1.183 0 50 CDAA CC1(C)CN(C[C@H](O)COC2CCOCC2)CCCO1 363102688 SHMMHCWPUXRSLX-ZDUSSCGKSA-N 287.400 1.044 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4C[C@@H]4C3)[C@@H]2C1 907945875 DOEHEOPCNQTOMY-ANJQRKRZSA-N 263.337 1.648 0 50 CDAA Cc1nc(N2C[C@H](O)[C@@H](F)C2)c2ccsc2n1 1616076515 TYGXGZKZJDYBNW-IUCAKERBSA-N 253.302 1.519 0 50 CDAA CN(Cc1cnc2ccccn12)c1ncc2c(ncn2C)n1 2100482784 YXEKEMUKNLNDEL-UHFFFAOYSA-N 293.334 1.647 0 50 CDAA Cc1cc(NC(=O)CN(C)c2cc(C3CC3)[nH]n2)on1 2325765066 UAJXTKULLROMSO-UHFFFAOYSA-N 275.312 1.658 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1[C@H]1CCCO1 2325769487 JKGBJQHQPIQMNB-WXCVZDNMSA-N 279.336 1.266 0 50 CDAA C[C@H](O)C(F)(F)C(=O)N[C@](C)(C(=O)O)c1ccccc1 2325796118 USGIZPNAXKQBKT-UFBFGSQYSA-N 287.262 1.119 0 50 CDAA C[C@@H](CCc1ccco1)NC(=O)[C@H]1C[C@@](F)(CO)C1 2325805221 ZCDBLUJBAITOLK-MJVIPROJSA-N 269.316 1.828 0 50 CDAA O=C(N[C@@H]1C=C[C@H](C(=O)O)C1)c1ncnc2sccc12 2325865184 QXCOOMUNLBGYCR-JGVFFNPUSA-N 289.316 1.450 0 50 CDAA Cc1cc(N2CCC(O)(CN(C)C)CC2)nc(C2CC2)n1 894957092 VAIKPCKLZPTSOO-UHFFFAOYSA-N 290.411 1.555 0 50 CDAA COc1ccc(C(=O)NC2=NCCS2)cc1OC 29917 QXPIXZNZZWAYGQ-UHFFFAOYSA-N 266.322 1.536 0 50 CDAA O=C1CCCCC[C@H]1[C@]1(O)C(=O)Nc2ccccc21 42019 WRDAYOGORAQJTA-ABAIWWIYSA-N 259.305 1.976 0 50 CDAA aggregator O=C(Nc1ccncc1)[C@H]1COc2ccccc2O1 271019 RNZFHXNLEHIXBN-CYBMUJFWSA-N 256.261 1.860 0 50 CDAA O=C(Nc1ccc(N2CCOCC2)cc1)c1cnsn1 619032 VAHYQQXXGYMEIG-UHFFFAOYSA-N 290.348 1.627 0 50 CDAA CCOc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 466967 YKCFMPCKQLDMEB-UHFFFAOYSA-N 276.336 1.423 0 50 CDAA O=C1NNC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 1640409 WCCPZQAFQNKUHF-CKUJCDMFSA-N 290.322 1.671 0 50 CDAA CSCC[C@H](NC(=O)c1cccnc1)C(=O)O 2115980 XPOZUYPEUMYKMV-VIFPVBQESA-N 254.311 1.018 0 50 CDAA biogenic Cc1cnc(CN(C)[C@H]2C[C@H]3CC(=O)N(C)C[C@H]3C2)cn1 2356153234 XVGWAWQYSPCXBV-GUTXKFCHSA-N 288.395 1.474 0 50 CDAA CC(C)CNC(=O)C(=O)NC[C@H]1OCCc2ccccc21 2885392 SFMIEHCXMASTQW-CQSZACIVSA-N 290.363 1.189 0 50 CDAA CCCN1Cc2nnc(C(C)(C)C)n2[C@H](C)C1=O 2356157539 KLOZSWATUJMWNK-SECBINFHSA-N 250.346 1.889 0 50 CDAA O=C(C[C@H]1SC(=O)NC1=O)Nc1cccc(O)c1 3902609 NFFMWUIMXITYGA-MRVPVSSYSA-N 266.278 1.072 0 50 CDAA O=C(N[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 4030694 NHNAYPQCUJLMGT-MFORYBBRSA-N 297.420 1.506 0 50 CDAA CCN(CC)C(=O)CN1C(=O)COc2ccc(C)cc21 4970701 HABONSLEWZUNMR-UHFFFAOYSA-N 276.336 1.589 0 50 CDAA CN1CCC(CNC(=O)CN(C)Cc2ccccc2)CC1 101522427 LOEHNNINPGHWFI-UHFFFAOYSA-N 289.423 1.576 0 50 CDAA Cc1nc(S)sc1CC(=O)N1CCC[C@](C)(O)C1 134172956 MGKNTOSPWJGNJM-LBPRGKRZSA-N 286.422 1.656 0 50 CDAA O=C(NCCN1C(=O)CCC1=O)c1ccc2c(c1)CCC2 113902441 UECSBIACCIYOLM-UHFFFAOYSA-N 286.331 1.054 0 50 CDAA CCOCCN1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O 346062466 KSMIRWOJYSOYOP-MGPQQGTHSA-N 257.374 1.275 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCN1CCCCC1 248112964 HTPMOOZFFMXGEA-HZPDHXFCSA-N 293.455 1.948 0 50 CDAA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)cc1 100659635 GZDBXDZKEVWWRH-SYQHCUMBSA-N 299.282 1.055 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@]23C=CC=C[C@@]12CCCC3 101081839 YDFXUIYQZSXHTD-MGBSGCIJSA-N 297.358 1.687 0 50 CDAA COC(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 10290883 FLUZTKHBRYEAOW-UHFFFAOYSA-N 298.298 1.824 0 50 CDAA CNCc1cn(C2CCN([C@H]3CCSC3)CC2)nn1 20908758 WUCGPZSQTXHKJS-ZDUSSCGKSA-N 281.429 1.140 0 50 CDAA CCN1CCN(Cc2nc(Cc3ccccc3)n[nH]2)CC1 65434987 KNJBBSNQBXMAEJ-UHFFFAOYSA-N 285.395 1.533 0 50 CDAA Cc1ccc(N([C@H](C)C(=O)O)S(C)(=O)=O)cc1Cl 20131013 OQXBIHACJXORHQ-MRVPVSSYSA-N 291.756 1.888 0 50 CDAA Cc1ccccc1CCC(=O)NCC[C@@H]1CN(C)CCO1 67834179 ZIUPRBXBXACZES-MRXNPFEDSA-N 290.407 1.765 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)c2ccc(=O)n(C)c2)C1 67112015 SQDIXZDEMAXNBY-CYBMUJFWSA-N 278.352 1.417 0 50 CDAA Cc1nonc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 119615049 LHAOEHVVLWHFBI-SNVBAGLBSA-N 273.248 1.098 0 50 CDAA O=C1NC(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)S1 22135371 VKJGMDYRQUIKBF-FPLPWBNLSA-N 280.692 1.986 0 50 CDAA C[C@H](Nc1ccnc(N(C)C)n1)C1CCOCC1 230218054 CVJQXNNQGWJXPD-JTQLQIEISA-N 250.346 1.770 0 50 CDAA O=C(NCCn1ccccc1=O)c1ccc2ccccc2n1 353634126 YXEUXOBXQWJNLK-UHFFFAOYSA-N 293.326 1.827 0 50 CDAA Cc1cc(=O)cc(C(=O)N(C)Cc2ncccc2C)o1 1506403448 RSPYKIJQAIJBAS-UHFFFAOYSA-N 272.304 1.924 0 50 CDAA CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 261892 VPXRIBOJICTEAH-ZYHUDNBSSA-N 285.365 1.773 0 50 CDAA biogenic CCOCCN[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 309737743 RBLKKLHZIBIXSO-GHMZBOCLSA-N 260.378 1.914 0 50 CDAA C[C@H](c1cccs1)N(C)C(=O)CCS(C)(=O)=O 126982669 LZIPYHKZSGCUGB-SECBINFHSA-N 275.395 1.702 0 50 CDAA Nc1nc(NCCO)cc(-c2ccc(-c3ccn[nH]3)cc2)n1 216211088 WTTNFRFECNJXQS-UHFFFAOYSA-N 296.334 1.520 0 50 CDAA CC(C)c1ncc(C(=O)N2CC(S(C)(=O)=O)C2)s1 331408777 OXHRJMUCVJTFRB-UHFFFAOYSA-N 288.394 1.136 0 50 CDAA Cc1cn2ccnc(C(=O)NCCCc3c[nH]nc3C)c2n1 432506860 XIWNVVFXIXACDP-UHFFFAOYSA-N 298.350 1.432 0 50 CDAA O=c1c2ccccc2ccn1Cc1nnc2n1CCOC2 435672600 QGTLTWYTAPIMJK-UHFFFAOYSA-N 282.303 1.172 0 50 CDAA CC(C)(C)OC(=O)NCCNC(=O)C(F)(F)F 34745683 LRIIKOSSPGMOTQ-UHFFFAOYSA-N 256.224 1.190 0 50 CDAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)c2ccccc2F)C1 257365993 FKMHBESVYOFGRT-JQWIXIFHSA-N 286.372 1.444 0 50 CDAA CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CCCC[C@H]1O 331924478 VMERENGPAGFQOS-MGPQQGTHSA-N 282.384 1.101 0 50 CDAA CC[C@H](NC(=O)c1c(C)coc1CC(=O)O)[C@H]1CCCO1 262875954 GNAOICZJNIOIFQ-WDEREUQCSA-N 295.335 1.903 0 50 CDAA CCN1CC[C@@H](N(C)C(=O)CC(C)(C)N)[C@@H](C)C1 236846410 CPPHQXLEJGKPIF-NWDGAFQWSA-N 255.406 1.303 0 50 CDAA COCc1cc(C(=O)N2CC[C@](C)(C(=O)O)C2)ccc1F 237190283 HJQLEQJEAPTJFH-HNNXBMFYSA-N 295.310 1.909 0 50 CDAA CNC[C@H]1CCCN1S(=O)(=O)c1cc(C)cc(F)c1 237280024 BVIKNDPYQZKCCL-GFCCVEGCSA-N 286.372 1.507 0 50 CDAA O=S1(=O)N=Cc2cc(Br)ccc2O1 213205101 KFRCHYHGXSBVGV-UHFFFAOYSA-N 262.084 1.505 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2SCCc3sccc32)CCN1 237759922 CZVQNSCAZAMBRW-JOYOIKCWSA-N 282.434 1.899 0 50 CDAA COC(=O)[C@H]1CCCCN1CCO[C@@H]1CCCCO1 157147654 ULJYZCUBWDOYIL-CHWSQXEVSA-N 271.357 1.557 0 50 CDAA COc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)O)c(O)c1 132720743 ZMWZFHNJJLLICN-YUMQZZPRSA-N 267.281 1.240 0 50 CDAA O=C(Nc1ccccn1)C1(n2cnnn2)CCCCC1 36358703 JHTQMCZQGCQEIJ-UHFFFAOYSA-N 272.312 1.366 0 50 CDAA O=C(CCNC(=O)OCC(F)(F)F)N[C@@H]1C=CCCC1 158459978 JHDBPFBCSLGORB-SECBINFHSA-N 294.273 1.890 0 50 CDAA Cn1ncnc1COC(=O)c1cccc(N)c1Cl 130738420 MADGRMPBHPTNHD-UHFFFAOYSA-N 266.688 1.408 0 50 CDAA CN(C)c1ccnc(N2CCO[C@H](C(F)(F)F)C2)n1 71747192 DEOWXCNXYQYROB-QMMMGPOBSA-N 276.262 1.310 0 50 CDAA CCO[C@H](C)CN(C)c1nc(C)nc2c1cnn2C 72150997 LZFUTBMTLBGSAS-SECBINFHSA-N 263.345 1.533 0 50 CDAA CCc1occc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 263072925 YJESMWMMUIHPDU-LBPRGKRZSA-N 295.335 1.699 0 50 CDAA Cc1ocnc1C(=O)NC[C@@H]1CCCO[C@H]1c1cn[nH]c1 606445008 GQKBQONTYCTAFV-GXFFZTMASA-N 290.323 1.604 0 50 CDAA Cc1ncsc1CCCNC(=O)c1cnccn1 221178978 FNTJFNFZIDHYEK-UHFFFAOYSA-N 262.338 1.604 0 50 CDAA N=c1ccc(-c2ccc(C(=O)N3CCC[C@H]3CO)cc2)c[nH]1 426498371 DCJBYGKSUQIIJD-HNNXBMFYSA-N 297.358 1.758 0 50 CDAA CCOCCC(=O)N1CCN(c2cccnc2)CC1 220166910 SDCYKTWXAKFVQJ-UHFFFAOYSA-N 263.341 1.157 0 50 CDAA NC(=O)N1CCC[C@H]1C(=O)N1CCCCCCC1 80506685 CKVZHKVWUXOUIA-NSHDSACASA-N 253.346 1.322 0 50 CDAA O=C(O)c1cn2cc(-c3ccc(F)cc3)[nH]c(=O)c2n1 221633582 RBTFDWGATLIPSB-UHFFFAOYSA-N 273.223 1.527 0 50 CDAA O=C(NCCC[C@H]1CCOC1)c1cc(C(F)F)[nH]n1 426507831 DZQCBIJUUHTMPM-QMMMGPOBSA-N 273.283 1.894 0 50 CDAA CCC1=NO[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1 426526888 OOIMMMAKJYKQRV-VIFPVBQESA-N 262.313 1.183 0 50 CDAA Cn1cc(NC(=O)NC[C@H]2CCc3ccccc3O2)nn1 97730111 LFJQKCGAVZTJBH-LLVKDONJSA-N 287.323 1.330 0 50 CDAA Cc1nnc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 239174021 PDCBAMZPVLYUTK-RBXMUDONSA-N 261.306 1.158 0 50 CDAA COCC[C@@]1(CO)CCCN(Cc2cc(C)n[nH]2)C1 92064753 WCRJFRYHMHFJEQ-AWEZNQCLSA-N 267.373 1.329 0 50 CDAA CCOc1ncccc1Cn1cc([C@@H]2CCOC2)nn1 91655807 ILUNQTFIHAKIJK-GFCCVEGCSA-N 274.324 1.624 0 50 CDAA Cc1ccccc1OC1CN(C(=O)[C@@H](N)CCCCN)C1 244633523 GEKIUNZJHQDKRI-AWEZNQCLSA-N 291.395 1.041 0 50 CDAA C[C@@H]1C2=C([C@H]3CC[C@H]2C3)[C@@H](C)n2c(=O)n(C)c(=O)n21 248021186 IBOYDARISLUQEC-IMSYWVGJSA-N 261.325 1.211 0 50 CDAA COCc1nc(CN(C)CCn2nc(C)cc2C)no1 252483498 FCRABENNSTZTAI-UHFFFAOYSA-N 279.344 1.161 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCC1(c2ccccc2)CC1 299747333 CQYOGWLOAXXDAA-VXGBXAGGSA-N 259.305 1.555 0 50 CDAA Cc1ccc(C(=O)NCc2cc[nH]n2)n1C(F)F 534673813 ODKVTIFEYIFLNN-UHFFFAOYSA-N 254.240 1.845 0 50 CDAA COCCN1C(=O)N[C@@H](c2ccccc2)C2=C1COC2=O 263619227 XNURXFARURIXQF-ZDUSSCGKSA-N 288.303 1.210 0 50 CDAA CC(C)n1ccc(C(=O)NC[C@H]2CCCCO2)n1 264991606 IUJJBAAHICRIMM-LLVKDONJSA-N 251.330 1.763 0 50 CDAA CSC[C@H](NC(=O)c1cnc2c(c1)CCCC2)C(=O)O 534579756 UPUDWBMBTWNSCE-LBPRGKRZSA-N 294.376 1.506 0 50 CDAA CC(C)[C@H](NC(=O)NCc1ccc(F)c(F)c1)C(N)=O 274330772 ATJCJZGCYSNEFK-NSHDSACASA-N 285.294 1.274 0 50 CDAA Cc1nc(NC(=O)c2cn3cccnc3n2)nc(C)c1C 1940193379 AXSDGMMOADKCSA-UHFFFAOYSA-N 282.307 1.697 0 50 CDAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccc2ccccc12 299762363 VOTRCZXVFICJPM-WBVHZDCISA-N 297.402 1.878 0 50 CDAA C[C@@H]1CNC(=O)CCN1C(=O)Nc1ccc2[nH]ccc2c1 299778829 HTFVKBXLARDTOG-SNVBAGLBSA-N 286.335 1.910 0 50 CDAA C[C@H]1c2cc(F)ccc2CCN1C(=O)Cn1nccn1 299790037 ASSGVKRDDJNZAM-JTQLQIEISA-N 274.299 1.563 0 50 CDAA Cc1cnc(CN(C)C[C@@H]2CCN(C)C2(C)C)cn1 823690293 UJUANCQCHAFVCK-ZDUSSCGKSA-N 262.401 1.947 0 50 CDAA O=C1CCCCN1CCCC(=O)N1CCC(F)CC1 826535560 WHMHWEDPYPIOMN-UHFFFAOYSA-N 270.348 1.740 0 50 CDAA C[C@H](NC(=O)N(C)Cc1nccs1)c1n[nH]c(=N)s1 584886419 ACHZMKQLMOTHJI-LURJTMIESA-N 298.397 1.310 0 50 CDAA O[C@H]1CN(CCC2CCCCCC2)C[C@@H]1N1CCOCC1 828896810 UTMDFLGCZOCMAB-IRXDYDNUSA-N 296.455 1.724 0 50 CDAA Cn1nc(C(=O)NCc2cncn2C2CC2)c2c1CCCC2 670443525 LKNREFYMQXZZOT-UHFFFAOYSA-N 299.378 1.760 0 50 CDAA Cc1c[nH]c(C(=O)NCCCC[C@@H]2CCCO2)n1 584901008 AQDRMKWSSXOJCS-LLVKDONJSA-N 251.330 1.797 0 50 CDAA COCCc1nc(CN(C)C)n(Cc2ccccc2C)n1 670452238 CYKURLBEOAGHDB-UHFFFAOYSA-N 288.395 1.885 0 50 CDAA Cc1c([C@H](C)NC(=O)N[C@H]2CCO[C@@H]2C)cnn1C 270614868 IWVQGCCOWJXKAI-XRNSZHNASA-N 266.345 1.266 0 50 CDAA CCCOCC(=O)N1CC2(CCOCC2)CC[C@H]1CO 952884195 VWJYFHYODSHKIX-ZDUSSCGKSA-N 285.384 1.193 0 50 CDAA Cn1c([C@@H]2CCc3c[nH]nc3C2)nnc1N1CCCC1 1875276846 IMUDOEKVDJGUDA-SNVBAGLBSA-N 272.356 1.411 0 50 CDAA CC(C)Cn1c(C(N)=O)nnc1N1CCc2ccccc2C1 1875278085 YBPFQSAWBNMYHW-UHFFFAOYSA-N 299.378 1.596 0 50 CDAA N[C@H]1CN(C(=O)CCc2ncc[nH]2)Cc2ccccc21 1875292817 UDPCONUZXYYSLT-ZDUSSCGKSA-N 270.336 1.385 0 50 CDAA CC1(C)OC[C@H]2C[C@]21NC(=O)/C=C/CN1CCCC1 1875337979 KZHYADGMPQJPSS-RQMLTQGYSA-N 264.369 1.322 0 50 CDAA CC(C)(C)c1noc(=O)n1CCCNC(=O)C(F)(F)F 1875391683 SMOBUCSYQYIDND-UHFFFAOYSA-N 295.261 1.202 0 50 CDAA CC(C)[C@H](O)C(=O)N1CCC(CNC(=O)CC2CC2)CC1 952981389 SVFUOYMEAMUJGF-HNNXBMFYSA-N 296.411 1.158 0 50 CDAA O=c1oc(O)nc2c(I)cccc12 950756212 YUBBBGFLPWOTIW-UHFFFAOYSA-N 289.028 1.498 0 50 CDAA Cc1ccc2ncnc(N[C@H]3C[C@@H](O)[C@@H]3n3cccn3)c2c1 886079178 ANTQXRBGBQYOTQ-RRFJBIMHSA-N 295.346 1.921 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc[nH]2)C1 888077691 PRZOYEFKAGOEAN-MWLCHTKSSA-N 260.297 1.340 0 50 CDAA CC(C)(C)n1nnc(C(=O)N2CCOC[C@]2(C)C2CC2)n1 890591936 WUFORJJPOIYMBY-CQSZACIVSA-N 293.371 1.069 0 50 CDAA Cc1noc(CCNC(=O)N[C@H]2CCOC23CCCC3)n1 892632588 WCTRYTPJTXJHFR-NSHDSACASA-N 294.355 1.321 0 50 CDAA O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC(F)C1 892800297 NWZWBDMGPORKDA-ZDUSSCGKSA-N 263.316 1.064 0 50 CDAA CC(C)c1cc(N[C@@H]2C[C@@H](O)C23CCOCC3)ncn1 895258894 WBUPBEQAGKTVAW-CHWSQXEVSA-N 277.368 1.942 0 50 CDAA C=CC(=O)Nc1ccc(S(=O)(=O)N(C)C)c(C)c1 1776003575 YORJXEGKRFMRPH-UHFFFAOYSA-N 268.338 1.370 0 50 CDAA O=C(NCCNc1cccnn1)c1cccc2c1CCOC2 1776000119 QNCPOBHHRKSOTO-UHFFFAOYSA-N 298.346 1.391 0 50 CDAA Cc1cnc(C(=O)N[C@H]2CCNC23CCC3)cc1C 1344128763 VRPRUZCKVDIYDU-ZDUSSCGKSA-N 259.353 1.713 0 50 CDAA Cn1ccnc1C(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565506915 RUYBXHISOZVKAZ-STQMWFEESA-N 293.367 1.124 0 50 CDAA O=C(Cn1nc2ccccc2n1)N1C[C@H]2CCC[C@@H]1C2 1565506479 LCHOVZUVLSBWBE-NWDGAFQWSA-N 270.336 1.832 0 50 CDAA CC[C@H](N=c1[nH]ccn2cnnc12)[C@@H]1CCCCO1 585091349 VAVDZHZOQOOQIP-QWRGUYRKSA-N 261.329 1.306 0 50 CDAA Cc1c(CNC(=O)C2(Nc3ccccc3)CC2)cnn1C 585130826 CXWMFCBOTRRCBN-UHFFFAOYSA-N 284.363 1.989 0 50 CDAA O=C(NCCc1ccccn1)c1cnc(S)n1C1CC1 585121074 FCRNBCVSWMDVSD-UHFFFAOYSA-N 288.376 1.874 0 50 CDAA Cn1nccc1/C=C/c1nc(O)c2c(n1)CCCC2 170025316 WYUIPIMFMZZPHX-VOTSOKGWSA-N 256.309 1.965 0 50 CDAA CN(C(=O)c1cnn2c1CCCC2)[C@@H](CO)C(C)(C)C 170077752 CLXXYALTDKARGV-ZDUSSCGKSA-N 279.384 1.698 0 50 CDAA CCn1c(S)nnc1CNC(=O)[C@H]1C[C@H]1C1CC1 170655858 XOKZWZOVSBKZAX-IUCAKERBSA-N 266.370 1.249 0 50 CDAA COc1cccc(CNc2nc3ncccn3n2)c1OC 170607147 FWZJDWRPQWVCLD-UHFFFAOYSA-N 285.307 1.754 0 50 CDAA C[C@H]1C(=O)NCCCN1c1ncnc2ccc(F)cc12 170606341 VCKVXTOIMIJADD-VIFPVBQESA-N 274.299 1.484 0 50 CDAA Cc1[nH]ncc1-c1nnc(NC(=O)c2cnccn2)s1 170602587 RFQJWSOKFIODIB-UHFFFAOYSA-N 287.308 1.279 0 50 CDAA Cn1ncc2c(=O)ccn(Cc3noc(C(C)(C)C)n3)c21 281139367 JOSWHOQBPNRWFS-UHFFFAOYSA-N 287.323 1.464 0 50 CDAA C[C@H](NCCCN1CCCC1)C(=O)NC1CCCC1 58552779 PHXVKWMIDYPWTF-ZDUSSCGKSA-N 267.417 1.509 0 50 CDAA C[C@H]1C[C@H](O)CN1C(=O)C[C@@H](C)NC(=O)C1CCCC1 408295139 RTYDMCARABJQBI-MDZLAQPJSA-N 282.384 1.053 0 50 CDAA O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)N1CCCCC1 109756836 NPUFNVJWFSXLCN-PWSUYJOCSA-N 294.317 1.387 0 50 CDAA Cn1cc(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)ccc1=O 110442578 DVAAIPLFMBVJFI-HUUCEWRRSA-N 282.343 1.919 0 50 CDAA NC(=O)C[C@@]1(O)CCCN(Cc2ccccc2C2CC2)C1 643746766 UNLSNDRDJPPETO-KRWDZBQOSA-N 288.391 1.766 0 50 CDAA C[C@H]1CCCN1S(=O)(=O)N[C@H](C)c1cccc(O)c1 192240756 QQCLXNDBAMKWBI-WDEREUQCSA-N 284.381 1.772 0 50 CDAA O=C(C[C@H]1CCCOC1)N1CCN(C2CCOCC2)CC1 193430942 QDXSUNDBOQQVOI-CQSZACIVSA-N 296.411 1.126 0 50 CDAA CO[C@@]1(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)CCOC1 569460984 ZOMBUQLTYPHUCU-BBRMVZONSA-N 290.363 1.797 0 50 CDAA C[C@@H]1C[C@@H]1N1C[C@H](N=c2ccnc(C3CC3)[nH]2)CC1=O 572453122 IJYGJBWQONQPFP-JLLWLGSASA-N 272.352 1.197 0 50 CDAA Cc1cc(CC(=O)N2CCOC[C@@H]2C2CCC2)on1 573734708 ZHXDBZOWQBGTOJ-CYBMUJFWSA-N 264.325 1.553 0 50 CDAA CC(C)[C@H]1CN([C@H](C(=O)O)c2cccnc2)CCCO1 578380611 DLYXHSHKUYXGQD-KGLIPLIRSA-N 278.352 1.954 0 50 CDAA Cc1cccc(OCCNc2[nH]c(=N)nc3c2cnn3C)c1 581261866 TXOHQGDYTINOBC-UHFFFAOYSA-N 298.350 1.575 0 50 CDAA NC(=O)[C@]1(O)CCCN(c2ccnc3c(F)cccc23)C1 583617736 KSWXSEKUZYNEFB-HNNXBMFYSA-N 289.310 1.191 0 50 CDAA O=C(O)CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 18190493 SFHCMXCGDCGBOJ-SECBINFHSA-N 299.735 1.790 0 50 CDAA COCC1(CNc2ncc(F)c(N(C)C)n2)CCC1 1506405154 VDAQOGILVSFODK-UHFFFAOYSA-N 268.336 1.910 0 50 CDAA Cc1nc(N)nc(NCCn2cnc(C)c2C)c1Cl 1529154251 IIIGUDMAKFFEOF-UHFFFAOYSA-N 280.763 1.946 0 50 CDAA CN1CCOC2(CCN(Cc3ccccc3)CC2)CC1=O 1857689043 CMEKOZLFOINOIU-UHFFFAOYSA-N 288.391 1.900 0 50 CDAA Cc1cc(-c2nccn2C[C@@H]2CNC(=O)C2)oc1C 1875241150 PNPWQTOXJNTMTE-NSHDSACASA-N 259.309 1.896 0 50 CDAA COCc1cc(CNc2ncc(F)c(OC)n2)[nH]n1 1704303771 IYNXNCRZJBXTHN-UHFFFAOYSA-N 267.264 1.106 0 50 CDAA CC(C)Cc1cc(C(=O)N[C@H]2CC[C@H](N)C2)on1 214913230 BEUGPVPHVNKYKI-UWVGGRQHSA-N 251.330 1.483 0 50 CDAA Cc1cc(=O)cc(O)n1C[C@@H](O)c1ccc(O)cc1 1547206076 XEUXRFIWYLNOQH-CYBMUJFWSA-N 261.277 1.302 0 50 CDAA N[C@@H]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 132329210 AORUXMBFCZATHH-SNVBAGLBSA-N 288.269 1.644 0 50 CDAA CCN(Cc1ccccc1Cl)C[C@](C)(O)C(=O)O 578368611 YGETXXHXKOFVNG-ZDUSSCGKSA-N 271.744 1.998 0 50 CDAA Cn1nccc1[C@@H]1CN(C(=O)CC2CCCCC2)C[C@H]1N 1615591670 ONMONRUASCBVLH-ZIAGYGMSSA-N 290.411 1.644 0 50 CDAA CN(C)Cc1nnc(NC[C@H]2COc3ccccc3O2)o1 1772705864 SNHVNIIQFNHIEI-JTQLQIEISA-N 290.323 1.383 0 50 CDAA CC(C)(C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 12381234 BZDKUICNSLMOEP-UHFFFAOYSA-N 282.384 1.130 0 50 CDAA COc1cc(CNCc2ccccn2)ccc1OCCO 13730946 RGFALMZNAIXLLH-UHFFFAOYSA-N 288.347 1.751 0 50 CDAA O=C(CCN1CCOCC1)Nc1ccc(F)cc1 19841561 ISSFKMDXXLZBSE-UHFFFAOYSA-N 252.289 1.487 0 50 CDAA CN(C[C@@H]1CCN(c2ccccc2)C1)c1n[nH]c(=N)s1 1857681137 ZGLSULVNOXABRD-NSHDSACASA-N 289.408 1.913 0 50 CDAA COc1cccc(OC)c1CN1CCC(N)CC1 154317 KYCNALWNPRQSMP-UHFFFAOYSA-N 250.342 1.627 0 50 CDAA in-vitro COc1ccccc1N1CCC[C@@H](NC(=O)C(F)F)C1=O 225626417 CXFRECMBZDEKFU-SECBINFHSA-N 298.289 1.572 0 50 CDAA Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CO)cc1Cl 121215796 UHUCCVLFMOCZDY-LLVKDONJSA-N 296.754 1.570 0 50 CDAA O=C(O)CN1CCC(Oc2ccc(F)cc2)CC1 238158726 IZEZIEMNKZUCLS-UHFFFAOYSA-N 253.273 1.754 0 50 CDAA O=C(O)c1sccc1S(=O)(=O)N1CCCC1 12916185 ZEMWQHYHFKHRHF-UHFFFAOYSA-N 261.324 1.231 0 50 CDAA in-vitro CCCn1nccc1C(=O)NCc1cccc(C(=O)O)c1 568284464 GHKINZMIKWEIDK-UHFFFAOYSA-N 287.319 1.921 0 50 CDAA O=C(c1cc2ccccn2c1)N1C[C@H](O)C2(CC2)C1 368786997 REYUCQUBDRSAIV-ZDUSSCGKSA-N 256.305 1.536 0 50 CDAA C[C@H](NC(=O)[C@H]1CCC(=O)C1)C(=O)OCc1ccccc1 848254557 MVMXBDSLVJXZEZ-AAEUAGOBSA-N 289.331 1.604 0 50 CDAA NC(=O)C[C@@H]1CCCCN1Cc1c(F)cncc1F 929519114 XNDIVENRMJQIOP-VIFPVBQESA-N 269.295 1.590 0 50 CDAA Cc1cnn(C)c1NC(=O)N1CCO[C@H](C)CC1 931891767 VGEWDPVLCUEFSR-SNVBAGLBSA-N 252.318 1.371 0 50 CDAA C=CC(=O)NCCNC(=O)c1cc(C(C)(C)C)oc1C 932402335 WDMDSYJLADJMOK-UHFFFAOYSA-N 278.352 1.918 0 50 CDAA C[C@@H](C(=O)O)N1CC[C@@H](COCc2ccccc2)C1 237511404 LGMCYYGASKLTOW-GXTWGEPZSA-N 263.337 1.998 0 50 CDAA NC(=O)[C@@]1(O)CCCN(CCOc2cccc(Cl)c2)C1 286132950 KDICHWQLZVBWFS-CQSZACIVSA-N 298.770 1.031 0 50 CDAA CC(C)n1cnnc1CN(C)C[C@@H]1CCCNC1 77487171 FDQZWRMGOIXBRW-GFCCVEGCSA-N 251.378 1.290 0 50 CDAA O=C(c1ccc2ccccc2c1)N1C[C@@H](O)[C@H](CO)C1 316418999 RWFWGLXXRSKNTM-LSDHHAIUSA-N 271.316 1.265 0 50 CDAA COCCC1CCN(CC[C@H]2CCS(=O)(=O)C2)CC1 625630737 LQFIMJUMJMULFU-AWEZNQCLSA-N 289.441 1.560 0 50 CDAA COc1ccccc1OCCN1C[C@@H](OC)C[C@H]1CO 344738831 PCSZMBCHUUDNIH-STQMWFEESA-N 281.352 1.156 0 50 CDAA Cc1conc1CNC(=O)CC(C)(C)CC(=O)O 708234287 LVJLYLAXGFXQLR-UHFFFAOYSA-N 254.286 1.490 0 50 CDAA O=c1[nH]c(N2CCCCC2)nc2ncc3c(c12)CCC3 22607647 INHLDRCENIGTKH-UHFFFAOYSA-N 270.336 1.797 0 50 CDAA CC(C)Cn1cc(CNCC2(CO)CC3(CCC3)C2)nn1 2325773929 AQPXRGAYQBLZQX-UHFFFAOYSA-N 292.427 1.967 0 50 CDAA CC[C@@H](C)CC(=O)C(=O)N[C@H](CCC(C)(C)C)C(N)=O 2325813775 ZHJHCYAHHLYZTK-GHMZBOCLSA-N 284.400 1.788 0 50 CDAA Cn1nc(CCn2ccnc2)nc1-c1cc[nH]c2nccc1-2 2325875083 FTXAGTDDMFVSHI-UHFFFAOYSA-N 293.334 1.749 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1ccc2cccnc2n1 923193732 FZNKVTMRVGZDJB-XZUYRWCXSA-N 297.314 1.469 0 50 CDAA N=c1cc(-c2noc(C3(CC(F)(F)F)CC3)n2)nc[nH]1 2332239491 PUIWHQQIQVXJCD-UHFFFAOYSA-N 285.229 1.923 0 50 CDAA O=C(N[C@@H]1CCC[C@H]2OCC[C@H]12)c1ncccc1O 132021923 WHMSCNYQUIFGIN-CKYFFXLPSA-N 262.309 1.475 0 50 CDAA O=C(NCc1ccc(Cl)cc1)N1CCOCC1 183829 WKDSOAISIKTKNX-UHFFFAOYSA-N 254.717 1.882 0 50 CDAA CC1(C)SC[C@@H]2C(=O)N3[C@@H](CSC3(C)C)C(=O)N21 227642 VVHDYXKIFLVWSV-OCAPTIKFSA-N 286.422 1.360 0 50 CDAA biogenic C[C@H](NC(=S)NCc1ccco1)[C@@H]1CCCO1 609277 WPGCVOSVTIYCLI-ONGXEEELSA-N 254.355 1.811 0 50 CDAA NC(=O)[C@@H]1C(=O)NC2=C(CCCC2)[C@H]1c1ccccc1 759515 RZEFDTSTXYIULH-ZIAGYGMSSA-N 270.332 1.830 0 50 CDAA CC(C)(C)NS(=O)(=O)c1ccc(C(=O)O)cc1 874371 KLTFWNOBVBGGCG-UHFFFAOYSA-N 257.311 1.462 0 50 CDAA CCc1cc(=O)oc2cc(OCC(N)=O)c(Cl)cc12 1164927 LSMPBVAOTPDDLQ-UHFFFAOYSA-N 281.695 1.873 0 50 CDAA c1ccc2c(c1)nnn2Cn1nnc2ccccc21 1717605 AHJLYTGICCGNSJ-UHFFFAOYSA-N 250.265 1.682 0 50 CDAA CCn1c(N)c(C(=O)NCCOC)sc1=S 2533263 AQFYLGFUWPTAAG-UHFFFAOYSA-N 261.372 1.257 0 50 CDAA Cn1ccnc1CN1CC2(COc3ccccc3C2)C1 2356148639 JPIPUKHKCVGZBU-UHFFFAOYSA-N 269.348 1.857 0 50 CDAA Cc1nc2ccccn2c1-c1nnc2n1CCOCC2 2356157322 FRPMINGOKSZAKR-UHFFFAOYSA-N 269.308 1.474 0 50 CDAA CCn1cc(-c2nnc3n2[C@H](C)C(=O)N(C2CC2)C3)cn1 2356162523 MAHPKDZFTBROHV-SECBINFHSA-N 286.339 1.227 0 50 CDAA CCc1nnc(SCC(=O)NC2CC2)n1CC 6725514 MGFBUMWMXWMWBU-UHFFFAOYSA-N 254.359 1.231 0 50 CDAA Cn1c(SCc2ccccc2)nnc1-c1nonc1N 6747193 CTBVUZJUTNTILH-UHFFFAOYSA-N 288.336 1.740 0 50 CDAA O=C(N[C@@H]1CCOC1)c1ccc(-c2ccccc2)[nH]c1=O 225502439 RWMDIUVMYMANLN-GFCCVEGCSA-N 284.315 1.561 0 50 CDAA C[C@H](C(=O)N(C)CCc1ccccn1)n1ccnc1 56968464 PWQRYZXPCKLDKH-GFCCVEGCSA-N 258.325 1.540 0 50 CDAA CN(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O 22606477 HNICTKUZAZARFG-UHFFFAOYSA-N 276.745 1.170 0 50 CDAA CN(C)C(=O)N1CCC(c2nc([C@H]3CCOC3)n[nH]2)CC1 102543841 CXOSXBFRRODXCL-NSHDSACASA-N 293.371 1.170 0 50 CDAA O=C(Nc1nnn[nH]1)c1cc(F)cc(C(F)(F)F)c1 119078938 CIIIYYOZMBMKBY-UHFFFAOYSA-N 275.165 1.610 0 50 CDAA Cc1ccc2nc(CN3CCC[C@@H](C(N)=O)C3)[nH]c2c1C 67934338 YMHOPBCYBMKCOV-GFCCVEGCSA-N 286.379 1.877 0 50 CDAA Cc1c(S(=O)(=O)N[C@@H](C)c2ccns2)cnn1C 859401046 SBGVQQNJCDQMPU-ZETCQYMHSA-N 286.382 1.225 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)Nc1nc(C)ns1 63848680 ULFZAKUZAGVMEJ-VIFPVBQESA-N 280.357 1.643 0 50 CDAA C[C@H]1CN(C)c2ccccc2N(C(=O)[C@@]2(F)CCNC2)C1 252671450 VUQJPRZUQYDKFM-BLLLJJGKSA-N 291.370 1.807 0 50 CDAA CCn1cc(C(=O)NCc2ccc(-n3ccnc3)nc2)cn1 363175502 VPIGYISUCVAFBC-UHFFFAOYSA-N 296.334 1.414 0 50 CDAA Cn1ncc2c(NCC3CCSCC3)[nH]c(=N)nc21 328598113 KBDJDEUWNHAURV-UHFFFAOYSA-N 278.385 1.331 0 50 CDAA COC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 35828443 CXQJOBPCLUGNPN-UHFFFAOYSA-N 264.306 1.499 0 50 CDAA C[C@H](C(=O)Nc1cncnc1)n1ccc2ccccc2c1=O 356151563 YLNYZPXNNPDSIS-LLVKDONJSA-N 294.314 1.991 0 50 CDAA Cc1cnn(-c2cccc(=N[C@@H]3CC(=O)N(C4CC4)C3)[nH]2)c1 363721623 LCIILWIWPOZVGT-GFCCVEGCSA-N 297.362 1.173 0 50 CDAA CNCC(=O)NCCC(=O)Nc1cccc2ccccc12 71752886 OUZQWCRFWSULKR-UHFFFAOYSA-N 285.347 1.504 0 50 CDAA c1cn2cnnc2c(N2CC3(CCC3)[C@H]2C2CCOCC2)n1 333473991 ODKZIIUUFVXZDM-CYBMUJFWSA-N 299.378 1.910 0 50 CDAA C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)NN1CCCCC1 128728627 KUBZSGBRLLRUPQ-MGPQQGTHSA-N 293.411 1.541 0 50 CDAA CCC(CC)n1ccc(C(=O)N2C[C@@H](O)C3(CC3)C2)n1 368753870 MXFKRLLXGHOFCY-CYBMUJFWSA-N 277.368 1.841 0 50 CDAA CCOC1CC2(CCN(C(=O)Nc3cnns3)C2)C1 287378426 RKHXGUYKTZHVPN-UHFFFAOYSA-N 282.369 1.961 0 50 CDAA COC(=O)CCC(=O)Nc1ccnn1-c1ccccc1 174197210 KQHSMXVEAIDCKP-UHFFFAOYSA-N 273.292 1.764 0 50 CDAA Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)cnn1C(C)(C)C 237752318 NEYPRYPTBSIDEJ-NSHDSACASA-N 293.367 1.883 0 50 CDAA CO[C@H]1CC[C@@H](NC(=O)N2CCCC23CCN(C)CC3)C1 335862934 MZDJWSHZRVLBNJ-KGLIPLIRSA-N 295.427 1.824 0 50 CDAA Cc1cc2c(=O)n(CCSc3cnn[nH]3)cnc2s1 32511842 JBZFXTYWTVHJCH-UHFFFAOYSA-N 293.377 1.677 0 50 CDAA CCCNC(=O)c1cc2c([nH]c1=O)C[C@H](C)CC2=O 71385198 CZGRACDZAKDABD-QMMMGPOBSA-N 262.309 1.280 0 50 CDAA CCc1nnc(CN(C)C(=O)c2ncc(F)cc2F)o1 218994196 FXIIWTDJHIDETL-UHFFFAOYSA-N 282.250 1.577 0 50 CDAA C[C@H](Cc1cnccn1)N(C)Cc1cccnc1N 215653395 SVWOJTSJZVXJKH-LLVKDONJSA-N 257.341 1.517 0 50 CDAA C[C@@H](NCc1ncccn1)c1ccc2c(c1)NC(=O)CO2 240934460 JCGBQHGWYGQRPB-SNVBAGLBSA-N 284.319 1.658 0 50 CDAA COC[C@@]1(C)NC(=O)N(Cc2cnc(Cl)s2)C1=O 131641749 RYULNLZAPLDTPW-SNVBAGLBSA-N 289.744 1.253 0 50 CDAA CN(C)[C@@H](CCc1ccccc1)CS(=O)(=O)N(C)C 45069187 VIBIFBZVAWKQPI-AWEZNQCLSA-N 284.425 1.441 0 50 CDAA CCc1ncnc(N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1F 528222441 SXKGNGNPYWCTOT-KFTBIWSRSA-N 283.372 1.668 0 50 CDAA Cc1cc(=O)cc(C(=O)NCCc2nncn2C(C)C)o1 221232579 CQHHKSSAHROSAQ-UHFFFAOYSA-N 290.323 1.093 0 50 CDAA Nc1nc(NC2Cc3ccccc3C2)cc(C2CC(O)C2)n1 223387605 XHHPMRNMWJCLLU-UHFFFAOYSA-N 296.374 1.876 0 50 CDAA c1cnc2nc(CN=c3cc([C@H]4CCOC4)nc[nH]3)cn2c1 426593840 SAPJDYUGMPXCNT-NSHDSACASA-N 296.334 1.057 0 50 CDAA COC[C@@H]1CCN(C(=O)Cc2ccccc2OC)C1 223865036 QQVGJPNAGWQLJD-GFCCVEGCSA-N 263.337 1.733 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)NC(C)(C)CN(C)C)c1 426386962 VBHWSEFDDISOIK-UHFFFAOYSA-N 294.351 1.463 0 50 CDAA O=C(N[C@H]1CCNC1)c1ccc(N2CCCCCC2)nc1 178454447 JKCXQDGQZIPEMJ-AWEZNQCLSA-N 288.395 1.554 0 50 CDAA Cn1c(SCCn2cccn2)nnc1[C@@H]1CCCNC1 426546171 LXEGPEJRYCALFA-LLVKDONJSA-N 292.412 1.271 0 50 CDAA CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1CSCN1 161951744 RFBQGZNAUDUUFJ-KGLIPLIRSA-N 294.420 1.539 0 50 CDAA Cc1nnsc1CNC(=O)C[C@H]1CCCOC1 426535613 NYEBTPLDNATUPL-SECBINFHSA-N 255.343 1.279 0 50 CDAA COc1cc(F)c(C(=O)N(C)[C@H]2CCNC2)cc1OC 179053948 SZYAJEWXRGUIJU-VIFPVBQESA-N 282.315 1.277 0 50 CDAA CCCN(CCO)c1cc(N2CCC[C@@H](C)C2)ncn1 292463203 KBDIEGBSSCSYRH-CYBMUJFWSA-N 278.400 1.922 0 50 CDAA COc1cccc(OC)c1CNC(=O)C(C)(C)OC 97653939 QXWHJEFZOSVGPU-UHFFFAOYSA-N 267.325 1.745 0 50 CDAA CC[C@@H](C(=O)NCc1cnc(C)cn1)n1cccn1 92097591 CUZIUENMNKETQW-LBPRGKRZSA-N 259.313 1.249 0 50 CDAA CC(C)c1noc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1 91526933 YWLDYTRIYJEBLM-LLVKDONJSA-N 289.339 1.904 0 50 CDAA Cc1cnc(N)nc1NCc1nc(C)c2c(n1)CCCC2 91535848 BCAYWEVEVKPAPO-UHFFFAOYSA-N 284.367 1.957 0 50 CDAA CC1(C)CNC(=O)c2nc([C@]3(C)CCCO3)[nH]c2C1 95508693 XQARLHUFPMQXKO-AWEZNQCLSA-N 263.341 1.747 0 50 CDAA CCC[C@H]1CN(S(=O)(=O)c2cc(C)cs2)C[C@@H]1N 95377007 OBJFCKLNSWVXCY-QWRGUYRKSA-N 288.438 1.804 0 50 CDAA CNc1ncc(CN(C)c2ncc(C(C)=O)c(C)n2)cn1 95379272 OTFYOKSFNYLIJU-UHFFFAOYSA-N 286.339 1.456 0 50 CDAA CC(C)c1noc(Cn2ncn3cccc3c2=O)n1 95381351 MKAIKCAIZHDANB-UHFFFAOYSA-N 259.269 1.051 0 50 CDAA COCCn1cncc1CNc1cc(C2CC2)ncn1 91620575 YHJGVQOTGXLHHX-UHFFFAOYSA-N 273.340 1.809 0 50 CDAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2nccn2c1 181211406 GBCSCHBGPQSRIS-NSHDSACASA-N 298.346 1.075 0 50 CDAA CN(CCn1cncn1)C[C@H]1CC(=O)N(C2CCCC2)C1 244715734 LBEZEJUFBVILEA-CYBMUJFWSA-N 291.399 1.001 0 50 CDAA c1coc(CCCN2CCN(c3nc[nH]n3)CC2)c1 244788098 QJIOQEYSTNCIQG-UHFFFAOYSA-N 261.329 1.153 0 50 CDAA CC(C)(C)OC(=O)N1CCOC[C@@H](NCc2cc[nH]n2)C1 863983943 OJGOZLKVVYFWGM-LBPRGKRZSA-N 296.371 1.135 0 50 CDAA COc1ccc(CCC(=O)Nc2nc(C)nn2C)cc1 183705676 UVGVOLRKCGLGRZ-UHFFFAOYSA-N 274.324 1.703 0 50 CDAA Cc1ncc(C(=O)N(CC(=O)O)C2CCOCC2)s1 299753189 XEUFODPWKMNJOT-UHFFFAOYSA-N 284.337 1.157 0 50 CDAA Cc1nccn1CCC(=O)N[C@@H](c1nccn1C)C1CC1 534656785 JBJJVUABMBDZSX-CQSZACIVSA-N 287.367 1.583 0 50 CDAA CNC(=O)c1ccc(-c2c(N3CCCC3)cnnc2O)cc1 534672458 KPZQDCQHCUAPGL-UHFFFAOYSA-N 298.346 1.809 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(-c3ccc(O)cn3)cc2)CCN1 534588319 MPQOZLVXAISSJT-LBPRGKRZSA-N 297.358 1.888 0 50 CDAA COCC1(CNC(=O)CCc2cnn(C)c2)CCC1 282520490 BTMBKMOWXWCRSO-UHFFFAOYSA-N 265.357 1.286 0 50 CDAA CNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C1 299786090 RAOCNYWFJRAACT-SECBINFHSA-N 281.743 1.940 0 50 CDAA C[C@@]1(C(=O)NCc2ccc(-c3ncon3)cc2)CCCO1 299800499 WYUIFVHKXPOUNZ-HNNXBMFYSA-N 287.319 1.922 0 50 CDAA COCCn1ccnc1CN1Cc2ccccc2[C@@H](O)C1 824466338 PVCYFNKXSYDGKD-HNNXBMFYSA-N 287.363 1.579 0 50 CDAA CCOC1CCN(C(=O)COC[C@H]2CCCCO2)CC1 584898672 OMBYQWURIFSCIF-CQSZACIVSA-N 285.384 1.600 0 50 CDAA CCOC(=O)[C@H]1Nc2ccccc2-c2nc(=O)c(C)nn21 585157955 WKNWJYCYIZSCRT-LBPRGKRZSA-N 286.291 1.101 0 50 CDAA CCc1nnc(CN(C)C(=O)c2ccnc(OC)c2)o1 584892366 RVSKNQUWVJNUPB-UHFFFAOYSA-N 276.296 1.308 0 50 CDAA CC[C@@H](NC(=O)c1c[nH]c(=N)s1)c1ncc(C)[nH]1 584890409 NTWIBJRKSKBGEB-SSDOTTSWSA-N 265.342 1.468 0 50 CDAA Cc1ncc(CN2CCCN(C(=O)c3ccoc3)CC2)[nH]1 670472263 RKBLITFILXCSIY-UHFFFAOYSA-N 288.351 1.659 0 50 CDAA C[C@@H](N=c1ncnc2[nH][nH]cc1-2)c1cc2n(n1)CCCC2 1875286882 LAKKSBGNBDUDCB-SECBINFHSA-N 283.339 1.432 0 50 CDAA C[C@@H]1C[C@H]1NC(=O)N1CC[C@](O)(Cc2cccc(F)c2)C1 1875257373 GMPVHPXUQRNMRZ-XFJVYGCCSA-N 292.354 1.923 0 50 CDAA O=S(=O)(N[C@@H]1CCOC2(CCCCC2)C1)c1cn[nH]c1 1875263111 NNRKDWUSRGJAMM-LLVKDONJSA-N 299.396 1.570 0 50 CDAA NC[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc2cccnc2c1 876824976 UJGNBPDAZARZHO-KBPBESRZSA-N 287.338 1.675 0 50 CDAA CS[C@@H](C)C(=O)Nc1ccccc1NC(=O)CN(C)C 952970147 LHTSBMNWTDOZBX-JTQLQIEISA-N 295.408 1.877 0 50 CDAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCC(=O)O)(C3)C2 952988567 OLMRWHRDKXSCET-MSQAHXEGSA-N 295.379 1.689 0 50 CDAA O=C1CCCc2cc(O[C@@H]3CCNC3=O)ccc2N1 270646766 ZRUICPDKHAMUDQ-GFCCVEGCSA-N 260.293 1.229 0 50 CDAA C=CC(=O)N[C@@H](c1ccc(F)cc1)c1ccn(C)n1 888098885 VXBCMHGYALOQNE-AWEZNQCLSA-N 259.284 1.951 0 50 CDAA CN1C(=O)CCC[C@H]1C(=O)NC1(c2ccccc2)COC1 888560592 SSGXRVZGOJEVHE-ZDUSSCGKSA-N 288.347 1.039 0 50 CDAA Cc1c(CC(=O)NC2(c3ccccc3)COC2)cnn1C 888563620 WTJKEJQPMRVBPS-UHFFFAOYSA-N 285.347 1.313 0 50 CDAA c1cc(N2CCN(c3ccc4nccnc4n3)CC2)cnn1 895963111 IOCCJCRBIXUYSA-UHFFFAOYSA-N 293.334 1.141 0 50 CDAA O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)OCC2 1775998291 VFNIZGSAUQMVNO-GFCCVEGCSA-N 274.320 1.020 0 50 CDAA CN1CC[C@H](Oc2cc(S(C)(=O)=O)ccc2F)C1 1775989588 QGGLSHPOJZABME-VIFPVBQESA-N 273.329 1.312 0 50 CDAA CCN(CC(=O)OC)C(=O)[C@H](F)[C@H](C)C(F)(F)F 1775999923 YBLDCZXAEATISK-POYBYMJQSA-N 273.226 1.544 0 50 CDAA O=S(=O)(CCC(F)(F)F)NCc1nc(C2CC2)n[nH]1 1365407836 FJJSBQXRNOFRBI-UHFFFAOYSA-N 298.290 1.054 0 50 CDAA Cc1ncc(C(C)C)c(N[C@H]2CCNC[C@@H]2O)n1 1565515635 DNPLABLVWFZGJR-RYUDHWBXSA-N 250.346 1.043 0 50 CDAA C[C@H]1C[C@@H](NC[C@@H](n2cncn2)C(F)(F)F)C[C@@H](C)O1 631209467 FAIWSORELASTDB-VPOLOUISSA-N 292.305 1.927 0 50 CDAA CC(C)C(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1 276728805 QTWPTAFPXXXFKG-LBPRGKRZSA-N 278.356 1.099 0 50 CDAA COc1ccc(CN[C@H]2CN3CCC2CC3)cc1OC 19946016 LQULSYSPTUXELV-AWEZNQCLSA-N 276.380 1.888 0 50 CDAA Cc1nc(Cl)cc(N2CC(Cc3cnn(C)c3)C2)n1 583651604 PJJTWNPYNOSONF-UHFFFAOYSA-N 277.759 1.851 0 50 CDAA OCC[C@@]1(NCc2cccc3c2OCCO3)CCOC1 278112352 BLTIEALXKFUTNL-OAHLLOKOSA-N 279.336 1.089 0 50 CDAA O=C1NCCC[C@H]1C(=O)N[C@H]1CCCOc2ccccc21 585089546 WFBHNMOZEJGRNL-OLZOCXBDSA-N 288.347 1.543 0 50 CDAA Cc1ccc2oc(=NCc3nc([C@H]4CCOC4)n[nH]3)[nH]c2c1 585118056 YEIFOPYMOLHXQH-JTQLQIEISA-N 299.334 1.792 0 50 CDAA NC(=O)C[C@H]1CCN(c2ncccc2Br)C1 585139861 FWBMRPNJOPCWAY-MRVPVSSYSA-N 284.157 1.546 0 50 CDAA C[C@]1(C2CCCCC2)CCN1C(=O)c1nnc(O)nc1O 636386125 XLBDECMUVIOKPT-CQSZACIVSA-N 292.339 1.468 0 50 CDAA C[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1ccccc1F 188263667 HJVPEYMJSFAMMR-GXFFZTMASA-N 287.356 1.465 0 50 CDAA C[C@H]1C(=O)N(C)CCN1c1ncnc2c(F)cccc12 302823123 FMMJMHUHSOZKCC-VIFPVBQESA-N 274.299 1.436 0 50 CDAA O=C(NC[C@H]1CCCOC1)c1cnn(-c2ccncc2)c1 408522333 HTKFDYWJLSGUPR-GFCCVEGCSA-N 286.335 1.424 0 50 CDAA O=C(c1cc(O)n[nH]1)N1CCOC2(CCCCC2)C1 408517097 ALNIRWXFQAWHHR-UHFFFAOYSA-N 265.313 1.291 0 50 CDAA COC(=O)[C@H](C)N(C(=O)CC(F)(F)F)C1CCC1 190397805 DDXNGFJXPQZLSC-ZETCQYMHSA-N 267.247 1.881 0 50 CDAA CO[C@H](C)CS(=O)(=O)Oc1ccc(-n2ccnc2)cc1 192877816 COZMRCRCAICTTP-LLVKDONJSA-N 296.348 1.616 0 50 CDAA Cc1n[nH]cc1CNC(=O)NC1CCN(C(C)(C)C)CC1 193836639 FMKGOHTXAQVGRZ-UHFFFAOYSA-N 293.415 1.780 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2OC(C)(C)O[C@H]2[C@@H]1C(=O)O 197010613 FRDGVQODRPFOOR-DJLDLDEBSA-N 287.312 1.210 0 50 CDAA CC(C)c1nsc(N[C@@H]2C[C@H](C(=O)O)C[C@H]2O)n1 662899048 WTQMALLYRNDVPI-XLPZGREQSA-N 271.342 1.298 0 50 CDAA COC[C@@H]1CCCN(c2ccc3nncn3n2)CC1 581865577 AQLXYFGPUDYRSK-LLVKDONJSA-N 261.329 1.377 0 50 CDAA C=CC(=O)NCCC(=O)N[C@H](C)c1c(C)noc1C 772792447 FGUISEAWIXPNIH-MRVPVSSYSA-N 265.313 1.161 0 50 CDAA C[C@@H]1c2cccn2CCN1c1nc(C(N)=O)cs1 1529196165 VVFNXWGDIYZOLH-MRVPVSSYSA-N 262.338 1.625 0 50 CDAA CCn1nc(-c2nc(C)nn2-c2ccnn2C)cc1C 1857678899 CJBHGYAXMQAIFL-UHFFFAOYSA-N 271.328 1.501 0 50 CDAA Cc1nc(N2CCOCC2)sc1C(=O)NC(C)(C)C 1857696872 OSSXBZFHKQPKPJ-UHFFFAOYSA-N 283.397 1.816 0 50 CDAA COCc1ccc(C(=O)NC2CC3(C2)C[C@H]3N)cc1F 1615545076 DIPHANZYZBNSDB-GLWUULTISA-N 278.327 1.582 0 50 CDAA O=C(NCCCCc1ccc(Cl)s1)C1(O)COC1 1615547456 ANWOFUUMBDAFEZ-UHFFFAOYSA-N 289.784 1.602 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)N(C)CC1CC1 1615614669 IIXBRIQGFVBPFU-MRXNPFEDSA-N 274.364 1.664 0 50 CDAA C[C@@H](NC(=O)NCc1ccon1)[C@@H]1CCCCO1 1615057145 YIYKTIDXVVCPCS-KOLCDFICSA-N 253.302 1.431 0 50 CDAA CN(C)Cc1ccoc1C(=O)NCc1cnc2nccn2c1 1615052502 KYHCCSYBUOUUQL-UHFFFAOYSA-N 299.334 1.314 0 50 CDAA COc1cccc(CN2CC(F)(F)C[C@@H]2CO)c1OC 372640252 OZPBFCOVLAPTEF-LLVKDONJSA-N 287.306 1.906 0 50 CDAA Cc1cnn(C)c1CN(C)C[C@H](O)c1ccccc1 216045726 WKNRQMSNVJGXAU-HNNXBMFYSA-N 259.353 1.894 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2CN1c1noc(-c2ccccc2)n1 1772704896 UKHSBPBRUUKREZ-AAEUAGOBSA-N 298.346 1.936 0 50 CDAA O=S(=O)(Oc1ccc(Cl)cc1)N1CCOCC1 5895860 BQZCQBJXMQBAEY-UHFFFAOYSA-N 277.729 1.296 0 50 CDAA CC(=O)NC(=N)Nc1nc(=O)c2ccccc2s1 18276843 VXFJWRZTHJZHOY-UHFFFAOYSA-N 262.294 1.139 0 50 CDAA Cc1nc(CN(C)C(=O)c2nc3ncccn3n2)cs1 19812004 OCIXOWFEEHUOCW-UHFFFAOYSA-N 288.336 1.161 0 50 CDAA Cc1nn(C)c2c1[C@H](NC(=O)c1cccc(O)n1)CCC2 1857678494 IBTXQPIKCKSYBN-SNVBAGLBSA-N 286.335 1.637 0 50 CDAA O=C(O)CCCNC(=O)[C@@H]1SCCc2ccccc21 237972272 ZDCTVNNWDHICFD-CYBMUJFWSA-N 279.361 1.998 0 50 CDAA COc1cccc(NC(=O)C(=O)NCc2ccccn2)c1 2898404 SUEMDUOTJLBSTK-UHFFFAOYSA-N 285.303 1.345 0 50 CDAA CCc1ncncc1C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 530985839 APTLZHWRCXZHMV-JTQLQIEISA-N 290.367 1.168 0 50 CDAA CC(C)(C)c1nc(CC(=O)N2CC[C@@H](C(=O)O)C2)cs1 236627464 MSTBYDTZCNDQCQ-SECBINFHSA-N 296.392 1.916 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)c2cncn2-c2ccccc2)C1 237654716 WTDQTSGRSVLCRH-INIZCTEOSA-N 299.330 1.809 0 50 CDAA CC(=O)N1CC[C@@](C)(C(=O)Nc2cc(F)cc(F)c2O)C1 910980984 ATAXJJNGTRPCGV-CQSZACIVSA-N 298.289 1.867 0 50 CDAA CCN(CC)C(=O)N[C@@H]1CCCO[C@H]1c1nccn1C 928996553 VSMFAGHADPQDPU-VXGBXAGGSA-N 280.372 1.692 0 50 CDAA O=C1CN(C[C@@H]2CCC3(COC3)O2)Cc2ccccc2N1 930887166 AXFAZCAWUPZHAG-ZDUSSCGKSA-N 288.347 1.389 0 50 CDAA C=CC(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 834392545 AJCGPQGIOKYXJW-MRVPVSSYSA-N 273.258 1.767 0 50 CDAA Clc1ncc(I)n2nccc12 1857785421 NMNQRTSDLXZKGC-UHFFFAOYSA-N 279.468 1.987 0 50 CDAA C[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H](C)O 42119 FRGASYAUZXLUDE-GHMZBOCLSA-N 257.761 1.904 0 50 CDAA Cc1ccc(O)c(C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 113085673 IQXHFMVOZYSDOQ-WDEREUQCSA-N 299.392 1.594 0 50 CDAA Cc1cnn(CCN[C@H]2C[C@@H](N)c3ccccc32)c1 236010702 XGQFENGESNJXOT-CABCVRRESA-N 256.353 1.926 0 50 CDAA O=C(NCC1(CO)CCCC1)c1ccc(CO)o1 534590169 FJBUDLHNOKUCJO-UHFFFAOYSA-N 253.298 1.054 0 50 CDAA O=C(N[C@@H]1CCNC[C@H]1O)C12CC3CC(CC(C3)C1)C2 534652503 TZARZZKDVLKMCQ-GQWBEDRXSA-N 278.396 1.042 0 50 CDAA C[C@H]1NCCN(C(=O)c2ccc(C(=O)O)cc2)[C@@H]1C 583267425 VVCSJTIABBWWPE-NXEZZACHSA-N 262.309 1.207 0 50 CDAA COc1nn(C)cc1NCc1cccc(S(C)(=O)=O)c1 893960575 GYGJKMXNZDOILG-UHFFFAOYSA-N 295.364 1.444 0 50 CDAA CC1(C)CN(C(=O)[C@@H](O)c2ccc(Cl)cc2)[C@H]1C(=O)O 2325775165 FMMUXBLBDARIIN-QWRGUYRKSA-N 297.738 1.695 0 50 CDAA CC(C)Cc1ccc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)s1 2325779322 YGBVKEQWPRGFHO-SNVBAGLBSA-N 299.417 1.987 0 50 CDAA Cc1cc(C)n(C(=O)CN2C(=O)c3ccccc3C2=O)n1 196287 NRBACMOONOKNHI-UHFFFAOYSA-N 283.287 1.436 0 50 CDAA CC(=O)NC(=S)Nc1ccc(N(C)C(C)=O)cc1 615320 ZXSXJUUPNPFOTO-UHFFFAOYSA-N 265.338 1.502 0 50 CDAA CS(=O)(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 1061504 MDGVNLAADAMDIL-UHFFFAOYSA-N 291.332 1.705 0 50 CDAA CC[C@@H](C)NC[C@H](O)COc1cccc(OC)c1 2451790 DKKSGKTWOPLXOM-NEPJUHHUSA-N 253.342 1.823 0 50 CDAA C[C@H](C(=O)O)N1C(=O)C(=O)c2cc(Br)ccc21 2746217 ONWCJCQHDCUIHD-RXMQYKEDSA-N 298.092 1.452 0 50 CDAA COc1ncc[nH]c1=Nc1cccc(N2CCN(C)C2=O)c1 2356160968 AGBJQAKVLSMOFX-UHFFFAOYSA-N 299.334 1.523 0 50 CDAA CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 3160238 POENGDQPZKPBNB-UHFFFAOYSA-N 268.338 1.064 0 50 CDAA O=C(O)CCCCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 4113406 JZTZQQMZVQIKIU-GHMZBOCLSA-N 267.325 1.807 0 50 CDAA Cc1ccccc1C(=O)NCCNC(=O)c1cccnc1 4487317 HFEHXVQKOKSLNQ-UHFFFAOYSA-N 283.331 1.550 0 50 CDAA COC(=O)[C@H](C)n1nc(-c2ccc(C)cc2)ccc1=O 4542538 OIBPAQXXAAWTTJ-NSHDSACASA-N 272.304 1.953 0 50 CDAA CC1(C)CC(NC(=S)NC2CC2)CC(C)(C)N1 4702282 FEDRISSSMJJJHU-UHFFFAOYSA-N 255.431 1.922 0 50 CDAA Cc1ccc(N2C[C@H](c3nnc(N)s3)CC2=O)cc1 4943308 LXFQVUYPLJOOBY-SECBINFHSA-N 274.349 1.949 0 50 CDAA C[C@@H](Cc1ccccc1)C(=O)N1CC(=O)NCC1(C)C 344354657 GFSHHGKLPHWYGO-LBPRGKRZSA-N 274.364 1.602 0 50 CDAA COC(=O)Cc1occc1C(=O)N1C[C@H](C)[C@@H](C)C1 225808804 HNLWYEDXYCPVQY-UWVGGRQHSA-N 265.309 1.723 0 50 CDAA Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1 9502690 KZECTLHIUZCSNL-UHFFFAOYSA-N 288.376 1.809 0 50 CDAA Cc1c([C@H](C)NC(=O)c2csc(N)n2)cnn1C 55185778 UUIOSFUPLSNXCW-LURJTMIESA-N 265.342 1.258 0 50 CDAA CCN1CCN(CCOc2c(OC)cccc2OC)CC1 20389973 TWIUSRSZWFYZPS-UHFFFAOYSA-N 294.395 1.720 0 50 CDAA CCc1cc(N2CCC[C@](C)(CO)C2)nc(N(C)C)n1 65381731 UOGOAJHHCNMUIL-HNNXBMFYSA-N 278.400 1.704 0 50 CDAA CC[C@H](O)C1CCN(C(=O)Nc2nnc(C)s2)CC1 63834097 HKERBOYJOYGGFI-JTQLQIEISA-N 284.385 1.861 0 50 CDAA Cc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1C 21487181 QMRUCCSMFYERRP-HNNXBMFYSA-N 278.396 1.291 0 50 CDAA CCOC(=O)c1cc(=O)oc2c(C(=O)OCC)c(C)[nH]c12 22146895 ANZLNBXENWHLPJ-UHFFFAOYSA-N 293.275 1.783 0 50 CDAA Cn1cc(C[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)cn1 364885825 MQBNKWAHRJKITI-NSHDSACASA-N 282.351 1.760 0 50 CDAA COc1cccc(-n2nc(C)c(CCC(=O)O)c2C)n1 67934609 VAXSOODRJYOPFA-UHFFFAOYSA-N 275.308 1.910 0 50 CDAA OC[C@H](O)COc1ccc(Br)c(F)c1 122113351 XWZTUZDJUDJUOB-LURJTMIESA-N 265.078 1.320 0 50 CDAA Cc1cccc(-c2ccnc3c(C(N)=O)cnn23)c1 34440750 HNKGGVGQAVODNJ-UHFFFAOYSA-N 252.277 1.804 0 50 CDAA CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O 261893 VPXRIBOJICTEAH-CMPLNLGQSA-N 285.365 1.773 0 50 CDAA biogenic Cc1nn(C)cc1CN[C@@]1(CO)CCOc2ccccc21 282314494 KRAOOQOXGKKGBO-MRXNPFEDSA-N 287.363 1.488 0 50 CDAA CCn1c(-c2ccoc2)nnc1N1CCn2nc(C)nc2C1 358745354 RZJCVRSGDYYZEE-UHFFFAOYSA-N 299.338 1.478 0 50 CDAA Cn1ccc(CN=c2ccc3nnc(C(C)(C)C)n3[nH]2)n1 359797891 KPLVELKJKJXTEL-UHFFFAOYSA-N 285.355 1.189 0 50 CDAA CC[C@H](C(=O)N(CC)c1ccncc1)N1CCCC1=O 331236188 GCWMEPQFUKBFKS-CYBMUJFWSA-N 275.352 1.836 0 50 CDAA Oc1nccnc1N1CCC[C@@H](N[C@H]2CCCSC2)C1 328646625 STNSZQIBFSABSX-NEPJUHHUSA-N 294.424 1.636 0 50 CDAA O=C(NCCCN1CCCC1=O)[C@H]1CCc2ccccc21 215061260 WJECJQMINNJYJW-HNNXBMFYSA-N 286.375 1.845 0 50 CDAA CCC[C@H]1COCCN1S(=O)(=O)NCc1ccccc1 71747920 LVVYBYGTOVUSLC-AWEZNQCLSA-N 298.408 1.522 0 50 CDAA Cc1nnc(CN2CCCN=C(O)[C@H]2CC(C)C)o1 328765737 GXQCAQOKXWRMRM-LLVKDONJSA-N 266.345 1.955 0 50 CDAA Cc1nc(Cc2noc(-c3oc(C)nc3C)n2)no1 329266339 CSIUTACGVCRMDU-UHFFFAOYSA-N 261.241 1.624 0 50 CDAA O=C(O)c1cc(S(=O)(=O)N2C[C@H]3CCC[C@H]3C2)c[nH]1 123675145 IORFBCCKIUXOBS-DTORHVGOSA-N 284.337 1.134 0 50 CDAA C[C@H]1CN(C(=O)c2cc(-c3ccncc3)on2)C[C@H](C)N1 154173012 WIMPBMCDIIEPAV-QWRGUYRKSA-N 286.335 1.559 0 50 CDAA O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC(F)(F)F 126675266 IVDXTUQGNMUPQV-LBPRGKRZSA-N 284.237 1.942 0 50 CDAA Cc1noc(-c2ccnc(N3CC[C@](F)(CO)C3)c2)n1 367215259 ZNCYUSJSWXEYDC-CYBMUJFWSA-N 278.287 1.351 0 50 CDAA O=C(Cc1cccnc1)NC1Cc2ccccc2C1 185739939 NXTFRKBJFWQCCE-UHFFFAOYSA-N 252.317 1.908 0 50 CDAA CN[C@@H](CO)c1cccc(-c2cc(N)ccc2CCO)c1 863726731 OBXWKYTVUGJESZ-KRWDZBQOSA-N 286.375 1.723 0 50 CDAA COCCOc1ccccc1C(=O)N1CCN[C@@H](C)C1 237119426 JWLSMUBHZRIWTM-LBPRGKRZSA-N 278.352 1.146 0 50 CDAA CC(C)C[C@@H](O)C(=O)N(C)Cc1nncn1C(C)C 77459659 XUCSGHCRGDAOPU-LLVKDONJSA-N 268.361 1.224 0 50 CDAA C[C@@H]1OCCN(C(=O)CCc2ccc(C(=O)O)cc2)[C@@H]1C 237384249 QBAPCNOEEGPXMG-NEPJUHHUSA-N 291.347 1.953 0 50 CDAA CN1CC[C@@H]2CN(S(=O)(=O)CC3CCCC3)C[C@@H]21 334634528 FCYQSNFBMDUEIT-OLZOCXBDSA-N 272.414 1.142 0 50 CDAA CN1CCN=C1NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 375576692 HJKTYQKHDFTSJR-MNOVXSKESA-N 291.355 1.058 0 50 CDAA Cc1csc(S(=O)(=O)NC[C@@]2(C)CCC(=O)N2)c1 335224649 OEZBKGDCVNTKSJ-LLVKDONJSA-N 288.394 1.004 0 50 CDAA CC[C@@H](O)CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 245305060 HXMAPJYHAWSQGG-RFQIPJPRSA-N 298.427 1.992 0 50 CDAA O=C(N[C@H](CO)C(=O)c1ccccc1)c1ccccc1 71771361 WHUYGHMYGWPXRO-CQSZACIVSA-N 269.300 1.660 0 50 CDAA OC[C@H](N[C@H]1Cc2ccccc2[C@H]1O)c1ccccc1 241371402 MNGSIXOJRACXGG-YESZJQIVSA-N 269.344 1.968 0 50 CDAA O=C(C[C@H]1CCCC[C@@H]1O)NCC(=O)NC1CCCCC1 241587928 OYFFRFQXZDGBJJ-OCCSQVGLSA-N 296.411 1.493 0 50 CDAA CCOC(=O)C[C@@H]1CCCCN1Cc1cccnc1N 72481592 NTWZJNIMDHOETP-ZDUSSCGKSA-N 277.368 1.972 0 50 CDAA COc1ccc([C@H]2CN(C)C(=O)[C@]23CCCNC3)cc1 44137133 DXBJNJAMXPGLDM-ZBFHGGJFSA-N 274.364 1.621 0 50 CDAA CCc1cc2c(=O)n([C@@H](C)Cn3cncn3)cnc2s1 43125139 LOCNXTPQJAXJOK-VIFPVBQESA-N 289.364 1.873 0 50 CDAA C[C@@H](Cn1cccn1)NC(=O)Cn1ncc2ccccc21 221421742 GJYQACCMKGLHHK-LBPRGKRZSA-N 283.335 1.438 0 50 CDAA Cc1ccc(CCNC(=O)Cn2nc(C)c(C)cc2=O)o1 222939204 WSWSIXXNAJINEV-UHFFFAOYSA-N 289.335 1.120 0 50 CDAA CN1CC[C@H](N(C)C(=O)c2nc3ccccc3[nH]2)C1 426497157 HQIFHUCHKPDLDY-JTQLQIEISA-N 258.325 1.339 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1ccn(C)c1C 426496655 HMLWDIBELBCULZ-GFCCVEGCSA-N 260.341 1.739 0 50 CDAA CC[C@H]1CN(C)CCCN1C(=O)Cc1ccnc(OC)c1 614343436 WAKWTXQANMVYTC-AWEZNQCLSA-N 291.395 1.575 0 50 CDAA COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 225397322 YORBZLJGNOPGMH-LDMBFOFVSA-N 282.336 1.542 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CC[C@@H](CN)C1 178521775 UVWPOCOUYRWMNN-JTQLQIEISA-N 266.316 1.645 0 50 CDAA CN(Cc1ccoc1)C(=O)NCCN1CCC[C@H](CO)C1 426498477 IYBRFDKGZWLALW-ZDUSSCGKSA-N 295.383 1.125 0 50 CDAA CCCN(CCO)C(=O)[C@@H](c1ccccc1F)N(C)C 95380369 UHSYLTVJLXNWNO-CQSZACIVSA-N 282.359 1.659 0 50 CDAA Cc1ccc(CCNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)o1 91998107 PFTHLYBZUXLVKI-GFCCVEGCSA-N 292.379 1.894 0 50 CDAA Cc1noc(C)c1CCC(=O)N1C[C@@H](C)[C@@](C)(O)C1 91713327 MGXFGNGHKMVLJQ-OTYXRUKQSA-N 266.341 1.453 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)cn1 236762151 XVADSKMPCHBVQB-SNVBAGLBSA-N 279.340 1.575 0 50 CDAA COCC1(C(=O)N2CCN[C@H](c3ccccc3)C2)CCC1 97732881 XQCWMONHDKQNQW-HNNXBMFYSA-N 288.391 1.976 0 50 CDAA CC[C@H](C(=O)N(C)CCN1CCCCC1=O)n1cccn1 91320727 PQCVQMJHNJPQBU-CYBMUJFWSA-N 292.383 1.305 0 50 CDAA O=C(NC[C@H](CO)Cc1ccco1)c1ccc2nccn2c1 91708157 LAWMECBZBKCULP-GFCCVEGCSA-N 299.330 1.508 0 50 CDAA Cc1ccc(N2C[C@@H](C)N(CCC(=O)O)CC2=O)cc1 91255225 HFNSLFPLUISVDK-GFCCVEGCSA-N 276.336 1.507 0 50 CDAA Cc1nc(Cn2cccnc2=O)n(Cc2ccccc2)n1 96139673 CZDDERXWIXNVQK-UHFFFAOYSA-N 281.319 1.240 0 50 CDAA COc1cccc([C@@H]2CCN2CC(=O)N2CCOCC2)c1 244873240 WMKMTLANDHGTMQ-HNNXBMFYSA-N 290.363 1.301 0 50 CDAA Cc1nn(C)cc1NC(=O)CN(C)[C@H](C)c1ccncn1 244874377 XAFIIVPFRHGOKB-LLVKDONJSA-N 288.355 1.150 0 50 CDAA O=C(C[C@H](O)C(Cl)(Cl)Cl)Nc1ncccc1O 863981543 GIMAWNLYWKRUMS-LURJTMIESA-N 299.541 1.847 0 50 CDAA O=C(NC[C@@H](O)c1ccccc1F)[C@H]1CCCCN1 269099509 QLQQXJQCQMSLLA-CHWSQXEVSA-N 266.316 1.117 0 50 CDAA Cc1ccc2[nH]nc(CNC(=O)[C@H]3CCOC3)c2c1 252482345 DDMKCHDFTHWAEN-JTQLQIEISA-N 259.309 1.524 0 50 CDAA C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCC(=O)O 299747589 DHAGRJNPIQJUIA-ZANVPECISA-N 263.293 1.484 0 50 CDAA CCOC(=O)[C@@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]21 259911991 AFZOQLDLDMCJHT-AEJSXWLSSA-N 255.314 1.805 0 50 CDAA COC[C@H](NC(=O)COC(C)C)c1ccccn1 534590737 ITSBSGXVNHUQSB-LBPRGKRZSA-N 252.314 1.310 0 50 CDAA O=C(CCC1CCCC1)N1CCc2n[nH]c(=O)cc2C1 263619455 YSROUPGLZSDTSZ-UHFFFAOYSA-N 275.352 1.625 0 50 CDAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@]2(CCNC2)C1 534589628 ZGDBMAWECNBMDR-VNHYZAJKSA-N 266.385 1.140 0 50 CDAA O=C(NC1CCN(c2ccccc2F)CC1)[C@@H]1C=CCN1 534642760 HTDDCAAQRQAWPI-AWEZNQCLSA-N 289.354 1.439 0 50 CDAA CCC[C@H](CNC(=O)Cn1nc2ccccc2n1)N(C)C 534647882 YFUQFOGOXLGHOR-GFCCVEGCSA-N 289.383 1.278 0 50 CDAA CCN(C)C1(CNS(=O)(=O)C2CC2)CCCC1 823067845 MXTRZZFMGYTCFX-UHFFFAOYSA-N 260.403 1.333 0 50 CDAA Cc1c[nH]c(C(=O)N[C@@H](C)c2nncn2C(C)C)n1 584894981 XTEATMYOHNVXEG-VIFPVBQESA-N 262.317 1.382 0 50 CDAA CCS(=O)(=O)N[C@H](CN1CCCC1)C(C)(C)C 823412715 LNFAQRQZKIYLCS-LLVKDONJSA-N 262.419 1.436 0 50 CDAA Cc1nonc1CNC(=O)C1(N2CCCC2)CCCCC1 584904113 GUGRVDDNEDWCHL-UHFFFAOYSA-N 292.383 1.793 0 50 CDAA O=C1C[C@@H](NC(=O)CCCn2cncn2)c2ccccc2N1 584884473 WOJJEUNSOKSNCK-CYBMUJFWSA-N 299.334 1.258 0 50 CDAA CC1(C)[C@H]2CC=C(CCNC(=O)c3cncc(=O)[nH]3)[C@@H]1C2 584886814 SGTIZVVYQWZNCK-RYUDHWBXSA-N 287.363 1.882 0 50 CDAA CCCCc1ncc(CN2CCO[C@H](CCOC)C2)[nH]1 670472279 YFGYOQJVNRJTTD-CQSZACIVSA-N 281.400 1.990 0 50 CDAA CCN1CCN(Cc2cnc(-c3ccccn3)nc2)CC1=O 670440237 LOFIVJANRBAQLW-UHFFFAOYSA-N 297.362 1.203 0 50 CDAA Cc1cnc(CN2CCC(c3nc[nH]n3)CC2)cn1 670467761 DRDPUJKUYPZHOX-UHFFFAOYSA-N 258.329 1.283 0 50 CDAA O=C(CN1Cc2ccccc2OC1=O)N=c1cc[nH]cc1 1455537277 UZMLMHKKTPLSJY-UHFFFAOYSA-N 283.287 1.457 0 50 CDAA O=C(c1ccco1)N1CCN(CCCc2ncc[nH]2)CC1 952882918 LHONSVFPQLSLOS-UHFFFAOYSA-N 288.351 1.393 0 50 CDAA O=C(NS(=O)(=O)Cc1cccs1)[C@@H]1C[C@@H]2C[C@@H]2C1 1875285141 DGCXHDSNFVDYJT-MYJAWHEDSA-N 285.390 1.740 0 50 CDAA O=C([C@H](O)c1cc(F)cc(F)c1)N1CCc2n[nH]cc2C1 1875280584 XZRFWSPLUBBLQM-CYBMUJFWSA-N 293.273 1.306 0 50 CDAA C[C@H](C(=O)Nc1ccc(-n2nccn2)cc1)[C@H]1CCNC1 1875287331 FKRJLTDMNNXMLP-RYUDHWBXSA-N 285.351 1.451 0 50 CDAA CNC(=O)[C@@H](NC(=O)c1cc(C)ccc1O)c1ccccc1 1875264468 DTRQURFJVCJMJR-HNNXBMFYSA-N 298.342 1.918 0 50 CDAA CC(=O)c1cc(CNCCCc2csc(N)n2)n(C)c1 952981893 OJIPIGDSAWEVGY-UHFFFAOYSA-N 292.408 1.989 0 50 CDAA COc1ccc(O)cc1CNCCN1CCC[C@H](CO)C1 952970868 QPGZCQDXWSWIJB-ZDUSSCGKSA-N 294.395 1.195 0 50 CDAA CCc1ccc(CNCCN2CCCC[C@H]2CO)nc1 952965404 DFMUBEUVBVKQCA-INIZCTEOSA-N 277.412 1.580 0 50 CDAA Cc1cc(C)nc(N2CCC[C@H]2c2ccc(N)nn2)n1 886086632 XSXXLNNIIMLBFH-LBPRGKRZSA-N 270.340 1.807 0 50 CDAA COC(=O)c1oc(COc2cn(C)nc2C(C)=O)cc1C 887268637 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C[C@H]1C[C@H](n2ncc3ncsc3c2=O)C[C@@H](C)O1 899361017 RRFOZDRTXGNNHC-AYMMMOKOSA-N 265.338 1.982 0 50 CDAA CCCCc1nc(CN2CC[C@H](N)[C@@H](O)C2)c(Cl)[nH]1 1565525576 NKTSJVGBJKROMU-ONGXEEELSA-N 286.807 1.300 0 50 CDAA CN1[C@H]2CC[C@@H]1CCN(Cc1cn(-c3ccccc3)nn1)C2 75927045 MLFYKEGLHUYKTQ-WBVHZDCISA-N 297.406 1.936 0 50 CDAA CCC(=O)N[C@@](C)(CO)Cn1cnc2ccccc21 1472346922 VFWVIIQEYBISKL-CQSZACIVSA-N 261.325 1.314 0 50 CDAA C[S@](=O)CCNC(=O)c1ccc2nc(S)oc2c1 170642133 UIGJMDYIFYRMJI-SFHVURJKSA-N 284.362 1.225 0 50 CDAA Cn1[nH]cc2/c(=N\C(=O)[C@H]3C[C@H]3c3cccnc3)ccnc1-2 585080476 YIJLGFOFHKSTDL-ZGNYSXHWSA-N 293.330 1.479 0 50 CDAA O=C(Cc1cccnc1Br)NC[C@H]1CCCO1 585079657 NBWQFYFBHWIYPM-SNVBAGLBSA-N 299.168 1.682 0 50 CDAA OCc1cnccc1N1CCC[C@H](CN2CCOCC2)C1 585132912 GNIRVPSIGISXDI-CQSZACIVSA-N 291.395 1.123 0 50 CDAA CC1(C)C[C@@H](O)CCN(C(=O)c2cc(Cl)no2)C1 585132035 NBSZSJDIIUTMBC-QMMMGPOBSA-N 272.732 1.951 0 50 CDAA C[C@@H](CC(=O)N1CCOC[C@H]1CO)Cc1cccc(F)c1 585127596 FANQNIMLQKARLB-IUODEOHRSA-N 295.354 1.614 0 50 CDAA COc1ccccc1OCCN(C)C(=O)[C@H]1C[C@H](F)CN1 188387188 FIBBRKCZDWQHSZ-NWDGAFQWSA-N 296.342 1.232 0 50 CDAA CN(C(=O)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12)C1CCS(=O)CC1 225455552 HACLOVJLVWHXPX-YQFUABAVSA-N 296.436 1.583 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(N(C)C)cn1 190486981 KZHCACJUWOUWBE-CMPLNLGQSA-N 263.341 1.901 0 50 CDAA CCN(C(=O)c1cccc2c1CCC2)[C@@H]1CC(=O)NC1=O 195158863 BVYSXRRJKFQJKE-CYBMUJFWSA-N 286.331 1.053 0 50 CDAA Cc1cc(N2CCN(c3ccc(C(=O)O)cn3)CC2)ccn1 568094320 CEVGUSHFSVWNLM-UHFFFAOYSA-N 298.346 1.810 0 50 CDAA CN1CCC[C@H](N[C@H]2CCCc3c(O)cccc32)C1=O 569777436 DSQDODDCQJCUAM-KBPBESRZSA-N 274.364 1.980 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1cccnc1 657729974 KZUZXPQDIPRLQY-UONOGXRCSA-N 272.352 1.683 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CC(Cc2ccsc2)C1 912830623 DHJIKUABWPZRQN-UHFFFAOYSA-N 292.404 1.784 0 50 CDAA Cc1ccc(C(=O)O)c(NCCN2CCC[C@@H](CO)C2)n1 1506413820 LPQQHVYQYFOZDW-GFCCVEGCSA-N 293.367 1.204 0 50 CDAA CCc1noc(NC(=O)C[C@@H](C)NC(C)=O)c1C 1529145724 GBGFQORHWWERIA-SSDOTTSWSA-N 253.302 1.399 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)C=C1CCC1 818311987 QMTRBFQDJBYDEG-CYBMUJFWSA-N 253.298 1.189 0 50 CDAA CCN(Cc1ccc(CC(=O)O)cc1)[C@@H](C)CCO 1529133902 MTNGPOMPJVAENC-LBPRGKRZSA-N 265.353 1.907 0 50 CDAA Nc1ncccc1CN1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704354151 UMRGRDNQSQLRQT-UKRRQHHQSA-N 284.363 1.094 0 50 CDAA Cc1ccc(F)c(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c1 1704314843 WCIACKUYXOWHHO-GASCZTMLSA-N 293.294 1.495 0 50 CDAA CCCc1cnc(C)nc1N1CCN2C(=O)OC[C@@H]2C1 1704308692 HBPZOJZJDQGTRG-LBPRGKRZSA-N 276.340 1.378 0 50 CDAA Cc1ccc(Br)c(NCc2cnnn2C)n1 712516670 WZHGNYHQYNKIAM-UHFFFAOYSA-N 282.145 1.893 0 50 CDAA COCc1cncc(C(=O)N[C@H]2C[C@@H](N)C23CCC3)c1 1615554456 LBWIJGCXFVCMLI-OLZOCXBDSA-N 275.352 1.228 0 50 CDAA CN(Cc1cscn1)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 234298222 UXTFBDDYPDEREH-BDAKNGLRSA-N 268.338 1.602 0 50 CDAA O=C(O)CN(C(=O)COCc1ccccc1Cl)C1CC1 238073554 VUKHSFAPBBUHNL-UHFFFAOYSA-N 297.738 1.932 0 50 CDAA COC(=O)C1(CNC(=O)OC(C)(C)C)CCNCC1 238373453 COSVYQJPWXOLFH-UHFFFAOYSA-N 272.345 1.054 0 50 CDAA CCCCNC(=O)Cc1noc([C@@H](O)C2CCCC2)n1 1615613711 JQICDHLGTFEZIE-ZDUSSCGKSA-N 281.356 1.752 0 50 CDAA CCn1ccc(C(=O)N2C[C@H]3C[C@@]3(CC)C2)cc1=O 1772818765 YDIORMFIUJBFFH-DOMZBBRYSA-N 260.337 1.740 0 50 CDAA CCC(C)(C)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 1772709534 QMPIPTLUCSFENS-AWEZNQCLSA-N 288.391 1.992 0 50 CDAA CN1Cc2nnc(Cn3ccnc3)n2-c2ccccc2C1=O 1775980841 CMNYAWHZHKCKMB-UHFFFAOYSA-N 294.318 1.098 0 50 CDAA N[C@H]1CS(=O)(=O)Cc2ccc(Br)cc21 12957350 PULIRAMXTGWLKW-VIFPVBQESA-N 276.155 1.377 0 50 CDAA COc1ccc(Cl)cc1NC(=O)NN1CCN(C)CC1 5041711 GGLUGQLEFKUKBV-UHFFFAOYSA-N 298.774 1.633 0 50 CDAA CNS(=O)(=O)c1ccc2c(c1)[nH]c(=S)n2C 5502727 QORHKAJQSDTLPQ-UHFFFAOYSA-N 257.340 1.144 0 50 CDAA O=C(NCCn1cccn1)[C@@H]1CCN(c2ccccc2)C1=O 11873208 WWPNDSOANLGNCH-AWEZNQCLSA-N 298.346 1.052 0 50 CDAA Cc1nnsc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1 12072566 WJKXYWLXURGLRQ-VIFPVBQESA-N 296.396 1.223 0 50 CDAA O=C1CCCc2c1n(C[C@H](O)CO)c1ccccc21 15724235 QXGUOQPIHQPIHO-JTQLQIEISA-N 259.305 1.514 0 50 CDAA Cc1n[nH]cc1CN1CCN([C@H]2CCCC[C@@H]2O)CC1 19839569 HTVDGLPEPIKGIT-GJZGRUSLSA-N 278.400 1.139 0 50 CDAA CC(C)CC(=O)N1CCN(Cc2cccnc2)CC1 19866626 QNFFCBLGIKTDFI-UHFFFAOYSA-N 261.369 1.772 0 50 CDAA Cn1nc(C(=O)N[C@H]2CCc3ccccc3C2)nc1Cl 1857739987 CBZFPWVNCSQASH-NSHDSACASA-N 290.754 1.756 0 50 CDAA CCC[C@H](NC(=O)C[C@@H]1CCC(=O)[C@H]1C)c1nn[nH]n1 526021355 BZGZYUDQAFATAT-GUBZILKMSA-N 279.344 1.162 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1ncc(C2CC2)o1 643823097 JUCGJFHGJISXEY-AWEZNQCLSA-N 279.340 1.018 0 50 CDAA O=C(C[C@H]1CCOC1)N[C@@H](C(=O)O)c1cc(F)ccc1F 739220736 CAMNBNAJWFZQJE-AMIZOPFISA-N 299.273 1.633 0 50 CDAA CC(C)CO[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 236637502 VIQRJLUTKATOKR-HZPDHXFCSA-N 290.407 1.830 0 50 CDAA Cn1ncc(Cl)c1CNc1nnc([C@@H]2CCCO2)o1 128791065 DAVAMZHDWHDPCL-VIFPVBQESA-N 283.719 1.920 0 50 CDAA CC(=O)N1CC(C(=O)N(C)[C@@H]2CCCc3cccnc32)C1 364665951 QRBYDUGMGPKNAA-CQSZACIVSA-N 287.363 1.396 0 50 CDAA O=C(c1cc2c(s1)CCOC2)N1CC[C@@](F)(C(=O)O)C1 262128645 JMOJPXSJJADJQS-ZDUSSCGKSA-N 299.323 1.460 0 50 CDAA Cn1cccc1CNC(=O)N1CCN2CCC[C@@H]2C1 266727644 KVDFLGYQOSTFJF-CYBMUJFWSA-N 262.357 1.015 0 50 CDAA CC(C)c1nnc2c(NC[C@@H]3CC[C@H](N)C3)nccn12 900401472 FGDKWSHLAFWRHL-MNOVXSKESA-N 274.372 1.787 0 50 CDAA Cn1ccc(C(=O)N2CCc3occc3[C@H]2C(=O)O)c1 910205547 NXUAJNOOXRRQDL-LBPRGKRZSA-N 274.276 1.442 0 50 CDAA NC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 9255600 BFIFVZLDXPWFOM-UHFFFAOYSA-N 290.344 1.264 0 50 CDAA O=C(COc1ccc(F)c(F)c1)NC[C@@H]1CCC[C@H]1O 822024346 ZJXNEJOBYQPRAP-TVQRCGJNSA-N 285.290 1.621 0 50 CDAA C=CC(=O)N1CCCN(Cc2nccn2CC)CC1 848978987 GDJXFHUQVQMNOV-UHFFFAOYSA-N 262.357 1.123 0 50 CDAA CCN(CC)C(=O)CCNC(=O)c1ccc(F)cc1O 123478166 QROIUWHJDDFVII-UHFFFAOYSA-N 282.315 1.520 0 50 CDAA CCN1CCN(Cc2cc(OC)ccc2OC)CC1 22454586 QZCFWPPWVPOPFK-UHFFFAOYSA-N 264.369 1.841 0 50 CDAA Cc1nnc(N[C@H]2CCS(=O)(=O)C2)c2ccccc12 35121175 IJVVOQNKTSFWSY-JTQLQIEISA-N 277.349 1.537 0 50 CDAA Cc1c(F)cccc1C(=O)N1CCO[C@H](C(=O)O)C1 263279201 XBUUZWJGGYPRJQ-NSHDSACASA-N 267.256 1.060 0 50 CDAA NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 55060401 VRWKGUGTZPZDQZ-UHFFFAOYSA-N 287.285 1.313 0 50 CDAA NC(=O)C[C@H]1CCCCN1Cc1cccc(C(=O)O)n1 97711775 YUMABSQUEJQYFI-LLVKDONJSA-N 277.324 1.010 0 50 CDAA OC[C@H]1COCCN(Cc2ccc(C(F)(F)F)nc2)C1 77355594 CAEKSNYMHBLRST-NSHDSACASA-N 290.285 1.541 0 50 CDAA Cc1cc(C)nc(CN[C@H](C)CN(C)C(C)C)n1 700490709 UIPXUBQIGQGTQQ-CYBMUJFWSA-N 250.390 1.912 0 50 CDAA CC(C)S(=O)(=O)CCCn1cnc2c1CCCC2 330367430 ZBXFOXYLXDLLLZ-UHFFFAOYSA-N 270.398 1.975 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(Cc3ccncc3Cl)C[C@H]21 534632916 XCMVHMCPEVYOQM-JZYVYDRUSA-N 252.701 1.497 0 50 CDAA COc1cccc(CN[C@@H]2CCCN(CCO)C2)c1 395199994 ZFBPXYJFVNHPTB-CQSZACIVSA-N 264.369 1.242 0 50 CDAA Cn1ncc2c1ncn1nc(-c3ccncc3)nc21 108390 YLPUVBHQSBYGNR-UHFFFAOYSA-N 251.253 1.073 0 50 CDAA CC(C)(C)n1ncc(-n2cncn2)c(Cl)c1=O 336114 HKOVHGDQCZXLCS-UHFFFAOYSA-N 253.693 1.232 0 50 CDAA CC(C)(C)c1nnn(CC(=O)NOc2ccccc2)n1 2325773557 XHCZFSCKTQBCTB-UHFFFAOYSA-N 275.312 1.081 0 50 CDAA Cn1ccc(CCC(=O)N2C[C@@H]3CC[C@H]2[C@H](C(=O)O)C3)n1 2325799548 HCCKAUKZLZQDDD-RTXFEEFZSA-N 291.351 1.064 0 50 CDAA CCCC(=O)c1cccc(NC(=O)[C@@H](N)CCC(=O)O)c1 2325850564 BLANSTDBHNUCQG-LBPRGKRZSA-N 292.335 1.800 0 50 CDAA [O-][n+]1c(Br)cccc1Br 330781 YOJAFCXACCYASM-UHFFFAOYSA-N 252.893 1.845 0 50 CDAA COc1ccc(-c2cc(C)nc3nc(N)nn23)cc1 615751 ASDIFIHDDVAGSO-UHFFFAOYSA-N 255.281 1.691 0 50 CDAA CC(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 1193290 KBIYZUQDVPCCPL-GFCCVEGCSA-N 251.307 1.350 0 50 CDAA COCCNC(=S)Nc1ccc(OC)cc1OC 2210257 ZZURWJSNLJWKNU-UHFFFAOYSA-N 270.354 1.637 0 50 CDAA C[C@@H](O)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl 2322632 VUJSUPCIAREFMG-ZCFIWIBFSA-N 291.134 1.429 0 50 CDAA c1ccc2c(c1)OC[C@H](c1nn3cnnc3s1)O2 2331841 VWTGBDZVYQNRCG-SECBINFHSA-N 260.278 1.698 0 50 CDAA NC(=O)Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2 2459150 HTTIHGKTBPPICY-UHFFFAOYSA-N 277.283 1.529 0 50 CDAA CS(=O)(=O)c1cccc(-c2nc(-n3ccnc3)n[nH]2)c1 2356146933 APASTHIANYQJEJ-UHFFFAOYSA-N 289.320 1.061 0 50 CDAA COc1ccc(CCNC2CCN(C)CC2)cc1OC 2575371 CWENNUNXHJSJRK-UHFFFAOYSA-N 278.396 1.930 0 50 CDAA Cc1cnnc(N2CCC[C@H](CCC(N)=O)C2)c1C 1857671152 OGJAYIYJGWYRMW-GFCCVEGCSA-N 262.357 1.575 0 50 CDAA COc1ccc(-c2cc(C(=O)N3CCOCC3)no2)cc1 3907840 XUWOLBAUQDIQFZ-UHFFFAOYSA-N 288.303 1.823 0 50 CDAA CCn1ncc(S(=O)(=O)NCc2cccs2)c1C 6698828 ZQXIKXQCIZMRAE-UHFFFAOYSA-N 285.394 1.751 0 50 CDAA O=C(Nc1ccncc1)c1ccc(-n2cnnc2)cc1 6701745 QLOOXKKEGOMPDU-UHFFFAOYSA-N 265.276 1.915 0 50 CDAA C[C@H]1CCCC[C@@H]1OCCNC(=O)[C@H](C)CC(N)=O 225800838 FEGHZUBZZMPPTM-TUAOUCFPSA-N 270.373 1.209 0 50 CDAA CN(CC(=O)O)Cc1cn[nH]c1-c1ccc(F)cc1 55284374 PXIQPUURGHRTOH-UHFFFAOYSA-N 263.272 1.732 0 50 CDAA COC(=O)Cn1cc(COc2cc(F)cc(F)c2)nn1 418852110 GQZXIVZTLXAPAJ-UHFFFAOYSA-N 283.234 1.308 0 50 CDAA CC1=C[C@H](C)[C@@H]2C(=O)N(c3ccc[n+](C)c3)C(=O)[C@H]2C1 101171171 UYHYCNHHAGZKQZ-UBHSHLNASA-N 271.340 1.603 0 50 CDAA CCOC(=O)c1csc(CC2CCNCC2)n1 116156788 OPFYZNASYZUMTK-UHFFFAOYSA-N 254.355 1.862 0 50 CDAA CN1CCC[C@@H](CCNC(=O)COc2cccnc2)C1 67982159 BGBCJNLAOOXKBI-ZDUSSCGKSA-N 277.368 1.309 0 50 CDAA O=C1C[C@@H](NCc2ccon2)[C@H](c2cccnc2)N1C1CC1 346860545 AFMYOQPHOCASHS-ZBFHGGJFSA-N 298.346 1.664 0 50 CDAA CC(C)n1cccc1C(=O)N1CCN(c2cnccn2)CC1 135480746 DGBKKGJJMGVDFF-UHFFFAOYSA-N 299.378 1.821 0 50 CDAA CCC[C@H](C)N1CCN(CCC(=O)OC)C[C@H]1C 249214861 DPBHWENEIQLIHP-QWHCGFSZSA-N 256.390 1.744 0 50 CDAA NCCC(=O)N1CCc2onc(-c3ccccc3)c2C1 67540770 WFWARUDMFJVMEY-UHFFFAOYSA-N 271.320 1.575 0 50 CDAA C[C@H](O)CN(C[C@@H](O)Cn1cccn1)c1ccccc1 229552339 GJUKLMFESVJDIX-DZGCQCFKSA-N 275.352 1.131 0 50 CDAA COC[C@@H]1CCCCN1C(=O)c1c(C)nn(C)c1C 23505105 KBJPCEGBURGAAF-LBPRGKRZSA-N 265.357 1.678 0 50 CDAA O=C(N=c1ccn([C@@H]2CCNC2)[nH]1)C1(c2ccccc2)CC1 328630877 QJBFGRIFIWXHPO-CQSZACIVSA-N 296.374 1.510 0 50 CDAA CCC[C@H](C(=O)N1CCC(CC(=O)NC)CC1)N(C)C 126817144 BIAFHUPQRAZCIC-CYBMUJFWSA-N 283.416 1.091 0 50 CDAA COc1ccc(F)c(F)c1C(=O)NCCN1CCCC1=O 218953333 CKHYAHMLXVWYMB-UHFFFAOYSA-N 298.289 1.326 0 50 CDAA C[C@H]1CNCCN1C(=O)c1cccc(Nc2cnccn2)c1 125563222 XJXPFXONVFQBKB-LBPRGKRZSA-N 297.362 1.654 0 50 CDAA O=c1nc(C23CC4CC(CC(C4)C2)C3)[nH]c2c1CCNC2 77377899 JJVGQFRORVAQII-UHFFFAOYSA-N 285.391 1.883 0 50 CDAA C[C@@H](CNC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)O 237571912 KIGVMVQEKBHCMK-JSGCOSHPSA-N 290.363 1.488 0 50 CDAA O=C(CC1CC(F)(F)C1)NCc1ccc(O)nc1 449932642 VSYSUBZLVOKPHP-UHFFFAOYSA-N 256.252 1.839 0 50 CDAA Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)oc1C 334759836 ABSZQYRROFSPBC-DGCLKSJQSA-N 297.376 1.688 0 50 CDAA CC(C)(C)OC(=O)N(CCC(=O)O)CCC(=O)O 34624438 NIFJJASPEGEHDS-UHFFFAOYSA-N 261.274 1.173 0 50 CDAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(F)cn1 285028535 ZLGIOUOXJRBXOP-RBSFLKMASA-N 280.343 1.583 0 50 CDAA O=C(N=c1cc(C2CCCC2)[nH][nH]1)[C@H]1CCn2cncc2C1 335351599 DXKRWYKKBCVZDM-LBPRGKRZSA-N 299.378 1.887 0 50 CDAA CN(C)CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 335937753 LDNIIFUOVCXSNU-STQMWFEESA-N 266.316 1.022 0 50 CDAA Cc1nn2c(NCC(N)=O)cc(-c3ccccc3)nc2c1C 72410550 SHNPWHUHGFHWPF-UHFFFAOYSA-N 295.346 1.910 0 50 CDAA CN(C)C/C=C/C(=O)N1CCO[C@H]2CCCC[C@@H]21 377773325 DJWOIYBODBTEAE-BVAIOKDQSA-N 252.358 1.274 0 50 CDAA CN(CCCC(=O)NC(N)=O)Cc1cc2ccccc2o1 175187750 CHYQEWYQNHMCOR-UHFFFAOYSA-N 289.335 1.840 0 50 CDAA CCN(C)C(=O)[C@H](C)NC(=O)[C@H](c1ccncc1)C(C)C 339346000 JSWZJSWBBFXRSB-JSGCOSHPSA-N 291.395 1.804 0 50 CDAA Cc1nonc1CC(=O)NCCCc1c(C)noc1C 221356424 LHZPKNUGPCKUSW-UHFFFAOYSA-N 278.312 1.274 0 50 CDAA CN1CCC(NC(=O)CCc2ccc(F)cc2)CC1 47829363 UXKPMVYWLJWAEA-UHFFFAOYSA-N 264.344 1.969 0 50 CDAA N[C@H]1CCN(C(=O)OCc2ccccc2)CC1(F)F 221010925 MATYFHSYNPENMM-NSHDSACASA-N 270.279 1.992 0 50 CDAA O=C(N[C@H]1CCCOC1)c1onc2c1CCCC2 426412773 SAOIYIAZQHHKGZ-VIFPVBQESA-N 250.298 1.462 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCOc3ccccc3C2)n1C 426567143 TTWLBGSAZHMGQM-UHFFFAOYSA-N 298.342 1.729 0 50 CDAA O=C(Cc1ccsc1)N1CCO[C@@H](C2CC2)C1 336273146 OKBLRRKXFHQDLR-GFCCVEGCSA-N 251.351 1.928 0 50 CDAA COc1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 239025616 BWUUDOLJYRIBIG-QDTODVHCSA-N 287.315 1.831 0 50 CDAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cc2c(s1)CCCC2 91364553 UNSPMFAIRANJCT-SNVBAGLBSA-N 297.401 1.667 0 50 CDAA CN1CCC2(CCN(C(=O)C3(C)CC3)CC2)[C@@H](CO)C1 97425715 LMXNZAKNNYTBCB-CYBMUJFWSA-N 280.412 1.339 0 50 CDAA CCOC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O 96028435 ILLSZFQEPSPOFQ-YGRLFVJLSA-N 287.356 1.558 0 50 CDAA CCc1cc(Cn2ccc3ncccc3c2=O)on1 95383264 ITHMRKXRMMDWIR-UHFFFAOYSA-N 255.277 1.995 0 50 CDAA CCNC(=O)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95356326 DWGBGPSJEIGNKK-AWEZNQCLSA-N 290.363 1.700 0 50 CDAA CC(=O)N1CCN(c2nccc3ccccc23)C[C@H](O)C1 91665003 KBMMVYZRPAZAEJ-CQSZACIVSA-N 285.347 1.264 0 50 CDAA CC[C@@H](C(=O)NCc1cc(COC)[nH]n1)n1cccn1 244794558 QOVXNWCSHNETGC-LBPRGKRZSA-N 277.328 1.020 0 50 CDAA CC[C@@H]1C(=O)NCCN1C(=O)[C@H]1C[C@]12CCc1ccccc12 247409913 IRPPLVNUBKFPCE-RKVPGOIHSA-N 298.386 1.628 0 50 CDAA C[C@@H]1C[C@H]1C(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 246843533 LJOVSGKKVLCRBU-FQKPHLNHSA-N 262.397 1.975 0 50 CDAA CC[C@@H](C)c1ccc(NC(=O)CN2CC(O)C2)cc1 252482713 DMIMQHXXUOJRNM-LLVKDONJSA-N 262.353 1.815 0 50 CDAA Cc1[nH]c(=NCC[C@H](C)N2CCN(C)CC2)sc1C 534579041 OLIBTBIRHLGBFY-NSHDSACASA-N 282.457 1.620 0 50 CDAA COc1ccc(F)c(CN2CC[C@H](O)[C@H](C(=O)O)C2)c1 1940196678 ZJGLHFCCXMMUEM-YPMHNXCESA-N 283.299 1.102 0 50 CDAA O=C(CCc1nc(O)n[nH]1)N1CC[C@@H]2CCCC[C@H]2C1 1940198041 JDDYKLZZISITRV-QWRGUYRKSA-N 278.356 1.482 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H](C)Cn1cncn1 820632055 WBNZRBADPNKZQL-JTQLQIEISA-N 290.371 1.003 0 50 CDAA CCc1nn(C)c2c(=O)n(Cc3csc(C)n3)cnc12 584889002 ZRWVFSUJNIPFFP-UHFFFAOYSA-N 289.364 1.506 0 50 CDAA O=S(=O)(Nc1cnn2ccccc12)N1CCCC1 585119160 UMPAELZMFOZCAS-UHFFFAOYSA-N 266.326 1.087 0 50 CDAA CC(C)[C@@H](NC(=O)N(C)CCOc1ccccc1)C(=O)O 670452442 UGBZWEHWLPWUEE-CYBMUJFWSA-N 294.351 1.816 0 50 CDAA Cc1nccn1CC[C@@H](C)NCc1cnc2cnccn12 670443475 ZNRNJXRADNYCOZ-GFCCVEGCSA-N 284.367 1.803 0 50 CDAA CN(CCc1nc2ccc(F)cc2[nH]1)S(C)(=O)=O 670467416 RNMHUYJOHFXITJ-UHFFFAOYSA-N 271.317 1.136 0 50 CDAA Cc1cc(CN[C@H](CO)Cc2cccs2)n[nH]1 1875284035 LAECNEONPXAOGF-NSHDSACASA-N 251.355 1.473 0 50 CDAA Cc1nnc(-c2ccccc2C(=O)NC[C@@]23COC[C@@H]2C3)o1 1875271195 ZRBOVFUCLRTCCC-ZBEGNZNMSA-N 299.330 1.811 0 50 CDAA Cc1nnc(C23CC(CN2C(=O)c2ccncc2)C3)o1 1875268183 GPGXJEQNUMGSBY-UHFFFAOYSA-N 270.292 1.534 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2CCN3CCOC[C@@H]23)cc(C)n1 1875294771 WVTXBONQILUGJU-CABCVRRESA-N 289.379 1.035 0 50 CDAA C[C@@H](CNC(=O)N1CCC1)c1ccc(N(C)C)nc1 1875296116 ZPFXWDDXRSQQMA-NSHDSACASA-N 262.357 1.666 0 50 CDAA CCC(C)(C)c1cn(C[C@H](C)NC(=O)[C@@H](C)[C@@H](C)O)nn1 1875324003 YFXRKMLZELFPHA-SDDRHHMPSA-N 296.415 1.487 0 50 CDAA O=C(NC[C@H]1CCCN(c2cnsn2)C1)C1CCC1 952860328 MJAZVIQQPPITQE-SNVBAGLBSA-N 280.397 1.671 0 50 CDAA CCc1cc(NC[C@H](C)CN2CCOCC2)nc(C)n1 272805128 BHIIYXIIRXFWIM-LBPRGKRZSA-N 278.400 1.728 0 50 CDAA CCCN(CC(=O)O)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 245225051 LQRJGAWJTAJMLS-JHJVBQTASA-N 284.400 1.724 0 50 CDAA N[C@@H]1CCN(C(=O)c2ccc(-c3cn[nH]c3)cc2)C1 1341227135 YRNIMLBKEXXOGM-CYBMUJFWSA-N 256.309 1.250 0 50 CDAA N[C@]12CCC[C@@H]1CN(C(=O)c1n[nH]cc1C(F)(F)F)C2 1775961067 GPUUGKPYEBADAX-HQJQHLMTSA-N 288.273 1.382 0 50 CDAA O=c1c2c(Cl)cccc2ncn1C[C@H]1CCNC[C@@H]1O 1565516168 JDEGUMPOBRAKRQ-SKDRFNHKSA-N 293.754 1.020 0 50 CDAA Cc1ccc(-c2ocnc2C(=O)NCC(=O)O)cc1 170043784 AYONMRVXBKGMGV-UHFFFAOYSA-N 260.249 1.464 0 50 CDAA Cc1noc(C)c1C(C)(C)C(=O)NCc1csc(=O)[nH]1 280860204 BLRBBRGHIMTKJO-UHFFFAOYSA-N 295.364 1.635 0 50 CDAA CCC1(S(=O)(=O)NC(=O)[C@@H]2CC2(F)F)CC1 408491148 GAHOBVZSJDVSRR-LURJTMIESA-N 253.270 1.030 0 50 CDAA CCCC(=O)NC[C@@H](NC(=O)CCC)C(F)(F)F 408517416 INPBORWOUNJESN-MRVPVSSYSA-N 268.279 1.750 0 50 CDAA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cncn2C)C1 190491689 LSPQRJZGJLGWFD-INIZCTEOSA-N 299.422 1.769 0 50 CDAA CCc1nc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)n[nH]1 643855598 FVBXLJFSSMVEBB-ZJUUUORDSA-N 276.344 1.052 0 50 CDAA Cc1nonc1NC(=O)CN1C(=O)CCc2ccccc21 110266299 WIYDBVZLKYINCT-UHFFFAOYSA-N 286.291 1.296 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(c2cc(F)ccc2F)CC1 191435332 DWDRBFGYEUUMNZ-LBPRGKRZSA-N 284.306 1.950 0 50 CDAA CC(C)[C@@H](SC[C@H]1CCCO1)C(=O)NC(N)=O 191767001 MKAKLOVNEDLBPP-RKDXNWHRSA-N 260.359 1.118 0 50 CDAA C[C@H](C(=O)Nc1ncn(CC(=O)O)n1)c1cccs1 647780221 OUSYTECZEKJJNR-ZETCQYMHSA-N 280.309 1.166 0 50 CDAA Cc1cc(S(=O)(=O)N(CCO)CC(F)F)c(C)s1 194851849 OSZREMBPFOCKJS-UHFFFAOYSA-N 299.364 1.613 0 50 CDAA CCCn1nccc1C(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 570584242 YZICLRKHPXMRRG-SRVKXCTJSA-N 291.351 1.618 0 50 CDAA CCCn1nccc1C(=O)N1C[C@@H](C)[C@](C)(CN)C1 662572255 ALTMBZHVRGUOHR-BXUZGUMPSA-N 264.373 1.350 0 50 CDAA COCCn1cc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)cn1 665226666 KLOCNMHUKCWKLA-SNVBAGLBSA-N 287.319 1.916 0 50 CDAA O[C@]1(Cn2ccnn2)CCN(C/C=C/c2ccccc2)C1 671492549 SOHMIHWOLKSSJZ-IEXSPKMKSA-N 284.363 1.428 0 50 CDAA Cc1nc(CN2CCC(Cn3cccn3)CC2)cn1C 1857683040 QJHYHDYHTCACPZ-UHFFFAOYSA-N 273.384 1.837 0 50 CDAA Cc1nc(N2CCOCC2)sc1C(=O)NC1CC1 1857695373 GZVUTBNHZILWMV-UHFFFAOYSA-N 267.354 1.180 0 50 CDAA CNc1nc(C(N)=O)c(NC(=O)C2CC=CC2)s1 1529147187 VSTUDTLINZDRLT-UHFFFAOYSA-N 266.326 1.188 0 50 CDAA CCc1nn(C)c(NC(=O)C[C@@H](C)NC(C)=O)c1CC 1529172116 JGCJHPDXBIHXTA-SECBINFHSA-N 280.372 1.398 0 50 CDAA NC(=O)CN1C[C@@H]2CC[C@H]1CN(C1Cc3ccccc3C1)C2 213172080 GPLSDWSSYKCZIJ-CJNGLKHVSA-N 299.418 1.035 0 50 CDAA C[C@@H](c1cccc(Cl)c1)S(=O)(=O)CC(=O)N(C)C 119466803 CSQZIPLMNPIFHE-VIFPVBQESA-N 289.784 1.904 0 50 CDAA CS[C@H](C)CNC(=O)[C@H]1NCCc2ccccc21 136172437 UMOVNOLSZYBACU-MFKMUULPSA-N 264.394 1.741 0 50 CDAA C[C@]1(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CCOC1=O 585085387 QZFIPECLUSANPI-DYNIEEOBSA-N 251.326 1.635 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1cc(C(F)(F)F)ncn1)C2 1615547413 TYQJAMDIMQFEHF-NUQKGASQSA-N 286.257 1.105 0 50 CDAA CN1CCN(C(=O)CSCc2ccc(F)cc2)CC1 20220102 UVSNHNJCABJBFX-UHFFFAOYSA-N 282.384 1.833 0 50 CDAA CCN(CC)c1ncccc1CNC(=O)[C@H]1CCCO1 15061902 YSZSOBWHNYPPMF-CYBMUJFWSA-N 277.368 1.723 0 50 CDAA Cc1ccc(CC[P@](=O)(O)CN2CCOCC2)cn1 19730778 ZOPPYFQJLCAPJV-UHFFFAOYSA-N 284.296 1.493 0 50 CDAA CNc1ccc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)cn1 19791478 PRSKMUQLPIYMNU-CYBMUJFWSA-N 299.378 1.872 0 50 CDAA COc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)ccn1 169725184 LEMGJNGCQDKTFZ-SNVBAGLBSA-N 282.296 1.741 0 50 CDAA CCOCCC(=O)N1CCN(CC)[C@H](c2ncc[nH]2)C1 328629111 OJSMCIVWWOVFHU-LBPRGKRZSA-N 280.372 1.042 0 50 CDAA CN(Cc1cccc(O)c1)C(=O)[C@@H]1CCc2cnn(C)c2C1 514566324 KOTRYFDTKBNFIV-CYBMUJFWSA-N 299.374 1.889 0 50 CDAA O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ncccc1F 359308783 ZLVKFAUREUYGGX-KGYLQXTDSA-N 266.316 1.587 0 50 CDAA COCCn1nc(C)c(NC(=O)c2ccnnc2)c1C 152214797 DKWKQVYUXHOJAY-UHFFFAOYSA-N 275.312 1.189 0 50 CDAA CCOC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 26898346 FEPRPINUVNZMRY-OLZOCXBDSA-N 293.319 1.322 0 50 CDAA in-vitro CCN(Cc1cccc(F)c1)S(=O)(=O)c1nc[nH]n1 1875290620 SSDOIOUMYRDQJR-UHFFFAOYSA-N 284.316 1.155 0 50 CDAA CNC(=O)NCc1cn(Cc2c(F)cccc2Cl)nn1 900491273 IVRKKELMYJAYFR-UHFFFAOYSA-N 297.721 1.548 0 50 CDAA Cc1cnn(C)c1S(=O)(=O)Nc1noc2c1CCCC2 903672175 GLSJCOQVJCMGNF-UHFFFAOYSA-N 296.352 1.396 0 50 CDAA C=CC(=O)NCCc1nc(-c2ccccc2)nn1C 820437568 XYPFPQWDHDCTSN-UHFFFAOYSA-N 256.309 1.327 0 50 CDAA O=C(NCC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1nc[nH]c2nccc1-2 926941967 KPYDNSZQKJMTLZ-NHCYSSNCSA-N 298.346 1.645 0 50 CDAA CC(C)(C)OC(=O)N[C@@]1(C(=O)O)C[C@@H](O)C1(C)C 1857780067 GCCLMUDJBQQGFC-JMCQJSRRSA-N 259.302 1.125 0 50 CDAA CCOC(=O)N1CCN(Cc2cncn2C(C)C)CC1 223310657 KYVZPFSLOUTPJW-UHFFFAOYSA-N 280.372 1.738 0 50 CDAA C[C@H](c1ccncc1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 230116131 IBVUOAPZBSMHKI-ADEWGFFLSA-N 278.308 1.233 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2CN)c(F)c1 237733700 MPMIXZJCCPZMMB-JTQLQIEISA-N 272.345 1.246 0 50 CDAA Cc1[nH]cnc1CN1CCN(c2ccccn2)CC1 23282126 NAGRVTOCAMJECC-UHFFFAOYSA-N 257.341 1.435 0 50 CDAA O=C(O)CCCCC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 263288743 LDGJVFLXMOOVJP-DDHJBXDOSA-N 267.325 1.267 0 50 CDAA COc1ccc(CN2CC[C@H](O)CC(C)(C)C2)nn1 296010041 LEVWMHAGWCMSKE-LBPRGKRZSA-N 265.357 1.468 0 50 CDAA CCc1nc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cs1 328492322 SRXQJHVWDWUBFC-HTQZYQBOSA-N 254.311 1.042 0 50 CDAA O=C(c1ccc(Cl)s1)N1CCO[C@]2(CCNC2)C1 717490813 BMBQITCUTZETAT-LBPRGKRZSA-N 286.784 1.606 0 50 CDAA COc1c(C)cnc(CN2C[C@H](O)[C@@H](F)C2)c1C 1616076060 YCGNHZJFVGYGLT-JQWIXIFHSA-N 254.305 1.222 0 50 CDAA COc1ccc(-c2nc(=O)n(C)[nH]2)c2ccccc12 2100480615 JZOUSIONTVLWOK-UHFFFAOYSA-N 255.277 1.937 0 50 CDAA COc1ccc(-c2n[nH]c(-n3ccnc3)n2)c(C)c1 2100539457 JIMYNICMSDWHOJ-UHFFFAOYSA-N 255.281 1.974 0 50 CDAA COc1ccc(-c2cc3c(cc2OC)OCO3)nn1 2100544885 NCOPJMHYRRWQLS-UHFFFAOYSA-N 260.249 1.890 0 50 CDAA CCOC(=O)[C@H](C)n1c(=O)oc2cc(C(C)=O)ccc21 1857784235 WBCHRQMDPTUDNS-QMMMGPOBSA-N 277.276 1.921 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCCN2C1 2325763136 WCUMFWPUGINZHU-TUVASFSCSA-N 277.412 1.166 0 50 CDAA Cc1cc2ccc(C(=O)N[C@@H](c3nn[nH]n3)C3CC3)cn2c1 2325806927 ONLLYWSNSBEUMB-CYBMUJFWSA-N 296.334 1.642 0 50 CDAA N[C@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccns1 2325829491 KYXZTBNXRCRKEG-SKDRFNHKSA-N 297.380 1.246 0 50 CDAA O=C(N[C@H]1C=C[C@H](C(=O)O)C1)c1ncnc2sccc12 2325865186 QXCOOMUNLBGYCR-YUMQZZPRSA-N 289.316 1.450 0 50 CDAA O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 64612 UOROWQIYVUQGLN-JDNZLRHBSA-N 283.283 1.696 0 50 CDAA O=C(O)c1cc(S(=O)(=O)N2CCCC2)cs1 92982 URMZBSZJPVHQGB-UHFFFAOYSA-N 261.324 1.231 0 50 CDAA Nc1nc(CN2C(=O)c3ccccc3C2=O)cs1 235061 NYPGGDKQGRZEHU-UHFFFAOYSA-N 259.290 1.522 0 50 CDAA CN(C)C(=O)Nc1ccccc1OC(=O)N(C)C 454580 GVIPTXMRMKNKMN-UHFFFAOYSA-N 251.286 1.841 0 50 CDAA O=C(COc1ccccc1Cl)N1CCOCC1 486852 GZQGHZBRWDSMND-UHFFFAOYSA-N 255.701 1.578 0 50 CDAA CCOC(=O)N[C@H](OC(C)=O)C(Cl)(Cl)Cl 2141135 MFVBOYXPEIBDNT-RXMQYKEDSA-N 278.519 1.992 0 50 CDAA O=C1NCCC[C@]12CCCN2Cc1cnsc1 2356134210 DQHPHMZKUNBJGQ-LBPRGKRZSA-N 251.355 1.388 0 50 CDAA CCc1ccnc(N(C[C@H]2CCOC2)S(C)(=O)=O)c1 2356146457 HNBOVQZIJARVDV-GFCCVEGCSA-N 284.381 1.447 0 50 CDAA COCCNC(=O)c1cncc(Br)c1 2989803 QOVBXIIYBOEIMU-UHFFFAOYSA-N 259.103 1.220 0 50 CDAA COc1cccc(CCC(=O)NCC(=O)O)c1Cl 4542849 TVHNWXGMYCBCSS-UHFFFAOYSA-N 271.700 1.482 0 50 CDAA CC[C@H](C)NS(=O)(=O)c1ccc(F)c(OC)c1 6703220 ZSHVGJPEKBJHJT-QMMMGPOBSA-N 261.318 1.911 0 50 CDAA COC(=O)c1ccc(C)c(NC(=O)CCC(=O)O)c1 6731990 LNYCZGQTXSYGJX-UHFFFAOYSA-N 265.265 1.585 0 50 CDAA O=C(O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 6746605 FGFWJLWMBIOVPM-UHFFFAOYSA-N 283.349 1.313 0 50 CDAA COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCO2)c1 7801125 MRKDSDUQFMBHLY-LBPRGKRZSA-N 263.293 1.899 0 50 CDAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 10302474 HNVMGWITOAFKFQ-GFCCVEGCSA-N 288.413 1.061 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccccn1 100617279 XQNAZWMFMIRORX-DJIHRAIXSA-N 272.304 1.221 0 50 CDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccncc1 100453238 JEQXDKJVOONSFR-BETUJISGSA-N 299.330 1.361 0 50 CDAA CC(=O)N[C@H]1CCN(C[C@@H]2CCCN3CCCC[C@H]23)C1 55132485 FXFBVSQNYRPCCA-HRCADAONSA-N 279.428 1.461 0 50 CDAA COC(=O)c1ccc(C(=O)OC)n1C(=O)OC(C)(C)C 137344229 UCQWTCNWEVJUBI-UHFFFAOYSA-N 283.280 1.845 0 50 CDAA O=C(N[C@H]1CCSC1)c1nc(=O)[nH]c2ccccc12 20907162 ZYHMASFLQIQYSK-QMMMGPOBSA-N 275.333 1.158 0 50 CDAA C[C@@H](CCc1ccccc1)N1CCN(CCO)CC1 22045042 YRFPLIZPAQGWFA-HNNXBMFYSA-N 262.397 1.618 0 50 CDAA CCOC(=O)CC(=O)c1cc(OC)ccc1OC 20475434 SHLIKILXQQPHPF-UHFFFAOYSA-N 252.266 1.840 0 50 CDAA Cc1cc(CC(=O)NC[C@@H](C)Oc2cccnc2)on1 67886627 ACAYVAFFIYCYRY-LLVKDONJSA-N 275.308 1.504 0 50 CDAA O=S(=O)(N[C@@H]1CCN2CCCC[C@@H]12)c1cccs1 229356987 CCXXLZHNYFRRIU-MNOVXSKESA-N 286.422 1.653 0 50 CDAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H]1C[C@@H](C)OC1=O 229555990 XLBQDBDOUQELLP-RUZUBIRVSA-N 280.368 1.166 0 50 CDAA O=C(O)[C@H]1CS[C@@H](c2ccc3c(c2)OCO3)N1 53469 XFGXAJCIOOXIGL-XCBNKYQSSA-N 253.279 1.204 0 50 CDAA biogenic NC[C@@H]1CCCC[C@H]1NC[C@@H](O)c1ccsc1 231980086 SVVPWWWRJOACSQ-CYZMBNFOSA-N 254.399 1.889 0 50 CDAA CC(C)(O)[C@@H]1CCCN1Cc1cc(C(N)=O)cs1 154430573 VAQBFRWLXOEMHW-NSHDSACASA-N 268.382 1.582 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CSCN2)C[C@@H](c2ccccc2)O1 155627599 KZMULAUPWRKCEQ-XBFCOCLRSA-N 292.404 1.638 0 50 CDAA CCc1ccc([C@H](CO)NC(=O)[C@@H]2CO[C@H](C)C2)cc1 331301223 PMRRGGJLLBUKDJ-UGFHNGPFSA-N 277.364 1.824 0 50 CDAA CN(C)c1cnc(C(=O)N2CCCc3cccc(O)c32)cn1 332227029 OMHKDUHQVQGDHM-UHFFFAOYSA-N 298.346 1.841 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(Cc2csnn2)CCO1 328655015 XYFVQVNZWDKFLK-CYBMUJFWSA-N 282.413 1.081 0 50 CDAA C[C@@]1(CNC(=O)c2ccn([C@@H]3CCCNC3)n2)CCCO1 328621942 IBVBHVXHNMZYRI-DOMZBBRYSA-N 292.383 1.107 0 50 CDAA NC(=O)c1cccnc1NCCn1nnc2ccccc21 32578236 IKRKZIYRTHDNMK-UHFFFAOYSA-N 282.307 1.037 0 50 CDAA Cn1ncc2c(O)nc(N3CCC[C@H]3c3ncc[nH]3)nc21 329257739 CCTIBXVYOLSHDZ-VIFPVBQESA-N 285.311 1.134 0 50 CDAA Cc1ccc(O[C@@H](C)C(=O)NCCN(C)C)c(C)c1 72117304 JWDMOMURXGNCQU-ZDUSSCGKSA-N 264.369 1.749 0 50 CDAA NC(=O)c1ncccc1C(=O)N1C[C@H]2CCCC[C@H]21 367840355 QFAIPDBAILKQBU-MWLCHTKSSA-N 259.309 1.195 0 50 CDAA CCC[C@@H](C)N1CC2(CCN(C(=O)CCO)CC2)OC1=O 77505245 PFPNIFRNRYUPGC-GFCCVEGCSA-N 298.383 1.371 0 50 CDAA CN1CCCC2(CC1)CCN(C(=O)c1cc(N)[nH]n1)CC2 71315177 YXQYEDDMASDAIE-UHFFFAOYSA-N 291.399 1.330 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)CSC(F)(F)F)C1 156215269 PUHOHNAGMSDDOL-HTQZYQBOSA-N 270.320 1.825 0 50 CDAA Nc1ccnc(N[C@@H]2CCOC[C@H]2Oc2ccccn2)n1 219495682 NIAXSHHBMBBZBC-GHMZBOCLSA-N 287.323 1.102 0 50 CDAA C[C@H](NC(=O)/C=C/CN(C)C)[C@@H](O)Cc1ccccc1 492217312 CCQWUESTNSKLMB-FMAWOHHVSA-N 276.380 1.213 0 50 CDAA CN(C)[C@H]1CCCN(C(=O)c2ccnn2C(F)F)CC1 72134315 ZWFZXMVRAZEWQM-JTQLQIEISA-N 286.326 1.835 0 50 CDAA Cc1n[nH]c(C)c1CN1CCC[C@H](N(C)C)CC1 215074957 CPVYGNODEQXLCN-ZDUSSCGKSA-N 250.390 1.943 0 50 CDAA CCN(CC)C(=O)C(=O)N(C)[C@@H](C)c1ccncc1 71763958 AUNSKHZUDQFPJJ-NSHDSACASA-N 263.341 1.469 0 50 CDAA C[C@H]1CN(C(=O)c2ccns2)C[C@]1(O)C1CC1 219282136 QXOLECZBOUEOOM-QPUJVOFHSA-N 252.339 1.376 0 50 CDAA CN(Cc1cnc(-c2cnn(C)c2)nc1)[C@@H]1CCC[C@H]1O 377699218 QFTKIMNGGZSUEF-ZIAGYGMSSA-N 287.367 1.222 0 50 CDAA Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C)o1 284778157 QEMFMMOUWIXHET-JSGCOSHPSA-N 261.325 1.941 0 50 CDAA CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CCCN(C)C2)C1 334292912 OWNYRONVDUCCKO-WBVHZDCISA-N 293.455 1.805 0 50 CDAA Cc1ccc(OC2CCN(C(=O)[C@@H](C)N)CC2)cc1 77408157 JFCCPZVOBDFREW-GFCCVEGCSA-N 262.353 1.712 0 50 CDAA CN1C(=O)[C@]2(CCCN(Cc3ncc[nH]3)C2)c2ccccc21 72127154 VSHVWDBPLRXVIY-KRWDZBQOSA-N 296.374 1.920 0 50 CDAA Cc1ncsc1CCCNC(=O)c1cccc(=O)[nH]1 215114024 CHCNGIDTOASJBO-UHFFFAOYSA-N 277.349 1.502 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)Cc3cccnc3)C2)n1 218828605 RWYMZQNIZQUDEX-UHFFFAOYSA-N 270.336 1.521 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)N1CCC[C@](O)(CO)C1 72130970 CYGBQYWAMUZISL-CQSZACIVSA-N 298.408 1.534 0 50 CDAA CCN(C(=O)Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 77504945 QNGYFNYJIMPQCU-LLVKDONJSA-N 287.406 1.326 0 50 CDAA CNC[C@H]1CCN(C(=O)c2c(Cl)nc3ccccn23)C1 178990136 LZKGKDLBBOUHQE-SNVBAGLBSA-N 292.770 1.669 0 50 CDAA CCn1ncc(CNC(=O)NCC2CC(F)(F)C2)n1 527960688 DBZDZUJJBPLHGK-UHFFFAOYSA-N 273.287 1.143 0 50 CDAA COc1cc(F)c(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c(F)c1 222890454 VUDAQSNXZGRGFT-ZHAHWJHGSA-N 283.274 1.881 0 50 CDAA Cc1ccc2nc(C(=O)N3CCC[C@H](O)CC3)c(F)n2c1 426545114 SLXCRAUGYMBZPA-NSHDSACASA-N 291.326 1.769 0 50 CDAA CCO[C@@H](C)C(=O)NCCCn1c(C)cccc1=O 426728312 SKWFVDGKJAWZIV-LBPRGKRZSA-N 266.341 1.088 0 50 CDAA COc1cncc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)n1 291012014 CMZFELWYTWABIH-LBPRGKRZSA-N 261.325 1.746 0 50 CDAA NC[C@H]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C1 178547319 MLWYFTSHBBNXSJ-YFCVBGDOSA-N 296.374 1.693 0 50 CDAA Cc1noc2ncnc(N3Cc4ccccc4[C@H](O)C3)c12 82139093 WATDWVSKMYLFHU-GFCCVEGCSA-N 282.303 1.980 0 50 CDAA Cc1nc[nH]c1CSCCNC(=O)[C@]1(C)CCCO1 426545467 TXAUEELOVLFAMW-ZDUSSCGKSA-N 283.397 1.637 0 50 CDAA Cc1nc(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)no1 179841588 TZVJNOLYDZWUKA-MRVPVSSYSA-N 288.307 1.560 0 50 CDAA CO[C@H](C)c1cccc(-c2c(C)n(C)c(=O)n(C)c2=O)c1 426691316 RGPZCEVMRIKZNA-LLVKDONJSA-N 288.347 1.767 0 50 CDAA COCc1nc(-c2ccc(OC)nc2OC)n[nH]1 426442706 RQODSDLRVAHNLL-UHFFFAOYSA-N 250.258 1.030 0 50 CDAA CC[C@H]1CN(C(=O)CCn2cc(C)cn2)CCN1C(C)C 91738179 ZIHOREXGDSRESY-HNNXBMFYSA-N 292.427 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288.351 1.324 0 50 CDAA Cc1cc(C)c(CNc2ncnc3c2CN(C)CC3)c(O)n1 299649691 XVUFWBUDTAIIIM-UHFFFAOYSA-N 299.378 1.794 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 299739377 NTUPSDCATRFZFZ-JQWIXIFHSA-N 274.368 1.553 0 50 CDAA CCc1noc(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)n1 252512216 OCVGDLWYOLZNKY-UTUOFQBUSA-N 292.383 1.511 0 50 CDAA O=C(CCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)N1CCOCC1 252890348 HJWZHUPFGNQYGP-OLMNGRFOSA-N 292.423 1.650 0 50 CDAA COC[C@]1(C)CN([C@@H](C(=O)O)c2ccsc2)CCO1 629379420 PEXHSJJXZTXJNS-YPMHNXCESA-N 285.365 1.611 0 50 CDAA COc1cc(C(=O)NCC2(CN3CCCC3)CC2)ccn1 534586985 WDBNTGXHBHWQPU-UHFFFAOYSA-N 289.379 1.696 0 50 CDAA Cc1cc(=NC(=O)c2cnnn2-c2ccccc2)[nH]o1 1940196019 DEYDEOVPYWOIJE-UHFFFAOYSA-N 269.264 1.238 0 50 CDAA OC[C@@H]1CCCN(Cc2ccc3c(c2)CNCCO3)C1 299801727 YMTFPDFZSOIGFC-CQSZACIVSA-N 276.380 1.373 0 50 CDAA O=C(O)CCCNc1cc([C@H]2CCOC2)ncn1 299755939 GLFSLQDKAXYPIS-VIFPVBQESA-N 251.286 1.257 0 50 CDAA C[C@H]1C(=O)N(C)CCN1c1ncc(Cl)cc1F 489985511 QFZFABDVWYIGKD-ZETCQYMHSA-N 257.696 1.541 0 50 CDAA C[C@@H](CN1CCN(C)CC1)N1CCC2(CCN(C)C2)CC1 823789110 HAJZYFCQZLDOIN-INIZCTEOSA-N 294.487 1.040 0 50 CDAA Nc1ncccc1CNC(=O)CSCCN1CCCC1 828029714 YAOHVWCWCZMPRL-UHFFFAOYSA-N 294.424 1.109 0 50 CDAA OCCn1cc(-c2cncc(Br)c2)nn1 725270680 QBIQNVMUDCWDRA-UHFFFAOYSA-N 269.102 1.095 0 50 CDAA CCc1noc([C@@H](C)NC(=O)Cc2c(C)n[nH]c2C)n1 823569522 VKKDBQXWYYTVCV-SECBINFHSA-N 277.328 1.392 0 50 CDAA Cc1nccn1C[C@@H](C)NCCc1noc(C2CC2)n1 584902824 BCXYOUZERIVZSI-SNVBAGLBSA-N 275.356 1.673 0 50 CDAA C[C@]1(CO)C[C@@H](O)CN1C(=O)Nc1ccccc1F 585137949 CQVBBIVWSZRUGR-NOZJJQNGSA-N 268.288 1.175 0 50 CDAA CN1CCC2(CCC1=O)CCN(C1CCOCC1)CC2 584901501 QDINFRPBGULESE-UHFFFAOYSA-N 280.412 1.890 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)c1cc(Cl)cn1C)CC2 584890424 DPAXGSDPHWJMFC-UHFFFAOYSA-N 278.743 1.909 0 50 CDAA CO[C@H](C)CCNC(=O)N1CC(c2ccncc2)C1 670437082 DIWOAVLBVTYABI-LLVKDONJSA-N 263.341 1.615 0 50 CDAA Cc1cc2c(cc1N1C[C@@H](C(=O)O)CC1=O)OCO2 65370451 FUKFITPWENZXDQ-QMMMGPOBSA-N 263.249 1.161 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)NC[C@]1(C)CCN(C)C1 670472562 NMYGQOPQBQAQSY-HNNXBMFYSA-N 276.384 1.667 0 50 CDAA C=CC(=O)NCCC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 269475596 AHQBLBSGJASJGS-CYBMUJFWSA-N 290.367 1.047 0 50 CDAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1COCCN1 269233987 VSZOYSJBKGABOP-OSAQELSMSA-N 292.354 1.519 0 50 CDAA C[C@H](C1CC1)N(C)S(=O)(=O)NC(C)(C)c1ncc[nH]1 874433525 LCIJNMKFMSULKT-SECBINFHSA-N 286.401 1.210 0 50 CDAA C[C@@]1(C(=O)NCc2cncnc2)Cc2ccccc2C(=O)O1 1875299880 ZAZPOGLPATVSGO-INIZCTEOSA-N 297.314 1.265 0 50 CDAA CCN=c1cc(C(=O)N2CCC[C@H]2c2cn[nH]c2)cc[nH]1 1875268759 RSAWADFPGJXUPB-ZDUSSCGKSA-N 285.351 1.636 0 50 CDAA CN(C)C/C=C/C(=O)NCc1nnc2ccc(Cl)cn12 1875376603 CRQUDPMGDPEAEZ-ONEGZZNKSA-N 293.758 1.117 0 50 CDAA C[C@@H](O)CN(C=O)Cc1ccc(Br)c(F)c1 1875325114 HXPYKDWZAIIRFU-MRVPVSSYSA-N 290.132 1.927 0 50 CDAA C=CC(=O)N[C@@H]1Cc2ccc(C(=O)OCC)cc2C1 1875369051 OFFSOEWRVGAGME-CYBMUJFWSA-N 259.305 1.633 0 50 CDAA CC(C)C[N@@]1C[C@H]1COc1ccc(S(C)(=O)=O)cc1 1875380808 AKLIWKXNKNMLKT-WFASDCNBSA-N 283.393 1.809 0 50 CDAA Cc1c([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C)cnn1C 270614863 IWVQGCCOWJXKAI-MKPLZMMCSA-N 266.345 1.266 0 50 CDAA O=C(NCCC1CC=CC1)[C@@H]1NCc2ncncc21 1775962430 KLTYUWMZUIUYIA-CYBMUJFWSA-N 258.325 1.093 0 50 CDAA C[C@@H]1CCCN1c1nnc(C2CCC2)n1CC(=O)N(C)C 1401419607 BDCCAHQQDDHZFP-LLVKDONJSA-N 291.399 1.623 0 50 CDAA COCC(=O)Nc1ccc(Nc2cc(F)ncn2)cc1 1363124603 FXICSBVDZDWDSS-UHFFFAOYSA-N 276.271 1.944 0 50 CDAA CC(=O)c1cc(C(=O)N[C@H](C)C2=CCN(C)CC2)n(C)c1 272998602 RSNBVVRMGNZXSD-LLVKDONJSA-N 289.379 1.608 0 50 CDAA CCCN(C)CC(=O)N1Cc2ccc(C(=O)O)cc2C1 737007026 AKBVGYDYKFESIH-UHFFFAOYSA-N 276.336 1.569 0 50 CDAA O=C(CC1CCOCC1)Nc1cncnc1N1CCCC1 186237777 WGTBEKYQSSZZIL-UHFFFAOYSA-N 290.367 1.832 0 50 CDAA Cc1cc(C(=O)NCc2nnc(C(C)C)n2C)no1 170593191 KLBRINFSGIABKJ-UHFFFAOYSA-N 263.301 1.165 0 50 CDAA CCOC(=O)[C@@H](C)[C@@H](C)Nc1cc(CC)nc2ncnn12 170614944 JSRSDRLJIZCPSQ-VHSXEESVSA-N 291.355 1.686 0 50 CDAA CC(C)c1cccc2c1CCN(S(=O)(=O)N(C)C)C2 170608453 NDSNWYBZKLSVNL-UHFFFAOYSA-N 282.409 1.975 0 50 CDAA c1cc(CO[C@@H]2CCN(c3ncnc4nc[nH]c34)C2)ccn1 170619193 FTNCEOSFELNPQU-GFCCVEGCSA-N 296.334 1.543 0 50 CDAA CCc1cc(NC[C@H](CO)[C@H]2CCOC2)nc(C)n1 281136525 ZJIGLZMTBDSRIY-NWDGAFQWSA-N 265.357 1.404 0 50 CDAA C[C@@H](CNC(=O)[C@H]1COc2ccccc21)CC(=O)O 211759684 BGHUHIQIHNFSFU-KOLCDFICSA-N 263.293 1.390 0 50 CDAA CCn1ccnc1CN1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O 408035296 LAPHIFRBLZIRTA-SQWLQELKSA-N 293.411 1.655 0 50 CDAA CCOCCN(C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O 408524518 VGHCFYOCGDRQJB-FRRDWIJNSA-N 254.374 1.402 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)sc1C 225459442 HYMJSLNZFLFWPB-KOLCDFICSA-N 288.438 1.865 0 50 CDAA CC(C)Cc1cc(C(=O)N2C[C@@H](C)[C@H](CO)C2)[nH]n1 191840803 GYEYQMKOPNRPTB-MNOVXSKESA-N 265.357 1.309 0 50 CDAA O=C(Nc1cnns1)N[C@@H](CO)Cc1ccccc1 192331484 PONNJRWSWOUOID-SNVBAGLBSA-N 278.337 1.263 0 50 CDAA COc1cccc(C2(NC(=O)c3[nH]c(O)nc3C)CC2)c1 654890588 GNUGBZVVLFEWPI-UHFFFAOYSA-N 287.319 1.851 0 50 CDAA O=C(c1ccc2c(c1)B(O)OC2)N1CCCc2occc2C1 584992247 IYABDFKBLHTQSF-UHFFFAOYSA-N 297.119 1.086 0 50 CDAA CC(=O)N1CC(NC(=O)N(C)Cc2ccc(F)c(F)c2)C1 585137853 WJCFEJUNJYFZJR-UHFFFAOYSA-N 297.305 1.337 0 50 CDAA COCCOc1cccc(C(=O)N2CC([C@H](C)O)C2)c1 585131019 JFKFUROXEDAYJF-NSHDSACASA-N 279.336 1.165 0 50 CDAA CCCCNC(=O)[C@H](C)N1CCC[C@H](n2ccnn2)CC1 585116514 ZKIVYZIHCZBZRK-KBPBESRZSA-N 293.415 1.610 0 50 CDAA C/C(=C\C(=O)NCCc1ccccn1)CN1CCOCC1 585121076 FHCCURIIYGAUBF-WYMLVPIESA-N 289.379 1.019 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 888831431 MJKQRTSLTIWECF-GUYCJALGSA-N 299.374 1.564 0 50 CDAA CCc1nn(C)c(NC(=O)c2cn3cccnc3n2)c1CC 1529126758 PCJXWHLMYONOFE-UHFFFAOYSA-N 298.350 1.840 0 50 CDAA O[C@H](COC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCOCC1 105606582 YQHLULJNYGIRMM-AJNGGQMLSA-N 269.385 1.132 0 50 CDAA C[C@H]1COCCN(Cc2ccc(C(=O)N(C)C)[nH]2)C1 335814886 UTPCNATXQIQVHX-LLVKDONJSA-N 265.357 1.185 0 50 CDAA CCCCN(C)c1ncnc2c1NC(=O)CS2 364148892 QQRHISMUYNGBQO-UHFFFAOYSA-N 252.343 1.757 0 50 CDAA C[C@@]1(O)CCOC2(CCN(C(=O)c3ccccn3)CC2)C1 1704344054 NVZGBDIKKAYINW-OAHLLOKOSA-N 290.363 1.618 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)c1cc3c(o1)CCCC3)C2 1615545373 GCULAJWPLPPQDI-NHYWBVRUSA-N 260.337 1.722 0 50 CDAA COc1cc(C)ccc1OCCN1C[C@H](O)[C@@H](F)C1 1615697273 KHIQYGVRXSBIAR-RYUDHWBXSA-N 269.316 1.397 0 50 CDAA Cc1noc(C)c1CN1C[C@@H]2CNC[C@@]2(CCC(=O)O)C1 1772701013 AOVOHJPJIKYXMT-WFASDCNBSA-N 293.367 1.178 0 50 CDAA O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CCC1 12589591 SIFJJSCHUKDGIP-OAHLLOKOSA-N 286.375 1.746 0 50 CDAA CN(C)CCNC(=O)c1ccc(N2CCCCC2)cc1 13669915 KROQZRRSIZBGRW-UHFFFAOYSA-N 275.396 1.968 0 50 CDAA O=C(NCCN1CCOCC1)c1ccc(Cl)s1 13744435 RJFKNYIDEQVLFH-UHFFFAOYSA-N 274.773 1.464 0 50 CDAA CN1CC2(C1)CN(C(=O)CCCOc1ccccc1)C2 1857677745 BVGRHKPWCCYSHZ-UHFFFAOYSA-N 274.364 1.620 0 50 CDAA NC(=O)c1ccc(-c2nnn(CCCCCF)n2)cc1 225439137 YYFMQPWOBVSGHJ-UHFFFAOYSA-N 277.303 1.579 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(CC(=O)NC2CCC(C)CC2)C1 330539694 UZUXWCYANVFAAM-TYUFSLCMSA-N 297.399 1.306 0 50 CDAA CSc1nc(O)nc(C)c1C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 333418438 INVVLUHDFNSIEM-AYMMMOKOSA-N 279.365 1.741 0 50 CDAA Cn1c(C(=O)N2CC3(CCCC3)C2)c2n(c1=O)CCCC2 334643699 DGFPGEMAVCVNRC-UHFFFAOYSA-N 289.379 1.539 0 50 CDAA C[C@@]1(CNC(=O)CCc2ccc(F)cc2)CCC(=O)N1 457176934 RAAMVINELLEVBY-HNNXBMFYSA-N 278.327 1.543 0 50 CDAA Cc1nc(C)c(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)s1 248045824 QIQAQBLJNVHJRD-MNOVXSKESA-N 294.376 1.943 0 50 CDAA c1ccc2nc(N3CCN4CCOC[C@@H]4C3)cnc2c1 363779746 TXQPITUEIFUKNL-LBPRGKRZSA-N 270.336 1.151 0 50 CDAA CC(C)Oc1ccc(CCNC(=O)[C@H]2CCNC2=O)cc1 585142328 SZSKKDBTUMBXSH-CQSZACIVSA-N 290.363 1.269 0 50 CDAA C[S@@](=O)c1nncn1CCc1nsc2ccccc12 594887964 NVEIVRPSUUEQCI-LJQANCHMSA-N 292.389 1.868 0 50 CDAA O=C(NOC1CCC1)[C@@H]1CCO[C@H]1c1ccncc1 846237077 FMIJHLURGZFIKW-OLZOCXBDSA-N 262.309 1.760 0 50 CDAA COCCn1nnnc1NC(=O)C1CCC(F)(F)CC1 906297557 MOZIYRNAKJPLFT-UHFFFAOYSA-N 289.286 1.084 0 50 CDAA Cc1ccc(C(=O)N[C@@H](C(=O)O)c2cccc(C)c2C)nn1 909796129 MVHJOLIVFIYOCA-CQSZACIVSA-N 299.330 1.958 0 50 CDAA COc1nc(C)cc(NCC2(n3cccn3)CC2)n1 1262708075 PIYSLZQVLJKBBI-UHFFFAOYSA-N 259.313 1.591 0 50 CDAA O=C(N[C@H]1CCCN(C2CCCCC2)C1)c1cn[nH]c1 109303265 QWUONYSJQBEGFW-ZDUSSCGKSA-N 276.384 1.937 0 50 CDAA O=C(NCCc1ccco1)c1[nH]nc2c1CCCC2 20727737 NTWDKOUPLTWYIJ-UHFFFAOYSA-N 259.309 1.854 0 50 CDAA Cn1nccc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 223827889 GIGRTIONCYGQOB-SCVCMEIPSA-N 277.324 1.278 0 50 CDAA O=C1CCCN1C[C@@H](O)CN1CCC[C@H]1c1cccs1 111682098 CSEQHERRWPUWGN-STQMWFEESA-N 294.420 1.868 0 50 CDAA O=C(N[C@H]1CCCNC1)c1cc2ccccc2c(=O)[nH]1 120129625 APWQDHGIUJYIPP-NSHDSACASA-N 271.320 1.010 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CCOC[C@H]1CC(=O)O 126927007 YRHIKPSMDISUKZ-LLVKDONJSA-N 281.283 1.450 0 50 CDAA C[C@@]1(NC(=O)c2cccnc2)CCCC[C@H]1C(=O)O 262725819 GKUJFAXNJOAOIR-SMDDNHRTSA-N 262.309 1.845 0 50 CDAA COc1cccc2c1CC[C@H]2NC(=O)C1(C(=O)O)CC1 263525214 JLUBXFCGEOHXMK-LLVKDONJSA-N 275.304 1.664 0 50 CDAA C[C@@H]1CN(C(=O)COc2cccc(F)c2)C[C@@H](C)N1 179163501 AXWHKRUYDLJJCE-GHMZBOCLSA-N 266.316 1.413 0 50 CDAA O=C1CCCN1[C@H]1CCCN(CCn2cc(Cl)cn2)C1 71639007 PKFCCFYYZDZTDP-ZDUSSCGKSA-N 296.802 1.623 0 50 CDAA OCC[C@H]1CSCCN1CCO[C@@H]1CCCCO1 408514853 MWMBXNBOYZLUKN-QWHCGFSZSA-N 275.414 1.329 0 50 CDAA O=C1CCCN1CCN1CCO[C@@H](C2CCCCC2)C1 349252533 USMSHINWDZOSAS-OAHLLOKOSA-N 280.412 1.890 0 50 CDAA Cc1nnsc1C(=O)N(CC(=O)O)CC(C)(C)C 663137668 OWOGCDBKUKUCIY-UHFFFAOYSA-N 271.342 1.419 0 50 CDAA COCc1cccc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)c1 331315282 CUSBJDFKNKVNPQ-RISCZKNCSA-N 279.336 1.055 0 50 CDAA CC1(C)CNCC[C@H]1NC(=O)CC1CCOCC1 335497135 VYARUGUILRAIEH-GFCCVEGCSA-N 254.374 1.307 0 50 CDAA COc1ncccc1CN1CC[C@H](C(C)(C)O)C1 670440199 DNNSDBFFPDQDPA-LBPRGKRZSA-N 250.342 1.683 0 50 CDAA N=c1[nH]cc(C(=O)N2CCC(c3cc[nH]n3)CC2)s1 584895546 BGMLJKXKPJPNBJ-UHFFFAOYSA-N 277.353 1.299 0 50 CDAA O=C(CC(F)(F)F)NC[C@@H](C(=O)O)C1CCOCC1 864145975 TTWWJYLFTVZFLI-MRVPVSSYSA-N 283.246 1.182 0 50 CDAA CC(=O)Nc1ccc(Nc2ncc(C)c(N(C)C)n2)cn1 2100537060 HGFSQIHVTGUKEU-UHFFFAOYSA-N 286.339 1.948 0 50 CDAA O=C(NCc1cc(C2CC2)n[nH]1)[C@H]1CC[C@@H](C(=O)O)C1 426651389 ULNHTMCGWQOUKN-VHSXEESVSA-N 277.324 1.404 0 50 CDAA O=C(O)Cc1csc(CCNC(=O)N2CC=CCC2)n1 2325794772 QOFSJYYIBDYWKM-UHFFFAOYSA-N 295.364 1.284 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C)[C@@H](N)C2)cc(NC2CC2)n1 2325795132 HUNHNWVUCWKSIT-ZANVPECISA-N 274.368 1.384 0 50 CDAA COc1ccc([C@H](C)NC(=O)c2cc(F)cnc2O)cn1 2325841125 DPHKCMYVCVEBJX-QMMMGPOBSA-N 291.282 1.821 0 50 CDAA O=C1CCc2cc(S(=O)(=O)O)cc3c2N1CCC3 2325872176 LESGTVIRPQHBPQ-UHFFFAOYSA-N 267.306 1.159 0 50 CDAA C[C@H]1CCCC[C@H]1CCNC(=O)c1cn(CC(=O)O)nn1 901805923 NZJFKCLXHZCSGV-QWRGUYRKSA-N 294.355 1.309 0 50 CDAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1cocn1 2332239397 PWXOUESBMBELRX-SWLSCSKDSA-N 290.367 1.892 0 50 CDAA CS[C@@H]1CCC[C@H]1N(C)CCN1C(=O)CCC1=O 110642405 NVAOHARBGMASTR-GHMZBOCLSA-N 270.398 1.351 0 50 CDAA CCOC(=O)c1ccc(NC(=O)CCC(=O)OC)cc1 125226 WRJKULUFWRQKHT-UHFFFAOYSA-N 279.292 1.755 0 50 CDAA Nc1sc(-c2ccccc2)cc1C(=O)NCC(=O)O 131625 FKHLXNADPODFIE-UHFFFAOYSA-N 276.317 1.812 0 50 CDAA CCOC(=O)Cn1nc2c(c1C)c(=O)c1ccccc1n2C 392039 VZLJHSIYHUYRKD-UHFFFAOYSA-N 299.330 1.760 0 50 CDAA COC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 1387072 BYEVNGWLJHRGSD-UHFFFAOYSA-N 277.320 1.720 0 50 CDAA CC(=O)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1 1683645 KKAMNIDZQVXDJV-UHFFFAOYSA-N 281.289 1.751 0 50 CDAA c1cc(COc2ccc(-n3cnnc3)cc2)n2ncnc2c1 2356140474 KKYCWSCZJDDVSW-UHFFFAOYSA-N 292.302 1.889 0 50 CDAA COc1cc(CCN)c(OC)cc1Br 2564752 YMHOBZXQZVXHBM-UHFFFAOYSA-N 260.131 1.968 0 50 CDAA in-man COc1cccc(OC)c1OCCNC[C@@H](C)O 2879717 LFYLJJJKCKFXFG-SNVBAGLBSA-N 255.314 1.053 0 50 CDAA CCN(CC)C(=S)SCCS(=O)(=O)O 3121865 XGEYWPMONHFRSV-UHFFFAOYSA-N 257.402 1.234 0 50 CDAA COc1cc(-c2nnc(O)o2)cc(OC)c1OC 3957328 NOAMAHAIBKUAMA-UHFFFAOYSA-N 252.226 1.468 0 50 CDAA CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C 100014894 QWTNANUGXZEPFQ-UHFFFAOYSA-N 283.305 1.110 0 50 CDAA in-vitro Cc1nc2ccc(C(=O)O)cc2c(O)c1CCC(=O)O 8740411 XITMHTOADOFJJM-UHFFFAOYSA-N 275.260 1.964 0 50 CDAA biogenic CCC1=NO[C@@H](CNC(=O)c2ccc(C(=O)O)s2)C1 102547069 ZZEXBAQEPPJVDL-MRVPVSSYSA-N 282.321 1.731 0 50 CDAA Fc1ccccc1-c1cc(CN2CCNCC2)on1 57548170 SWSSTTKJAKDOHI-UHFFFAOYSA-N 261.300 1.886 0 50 CDAA O=C(CN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)N1CCCC1 100509117 WVQVLCMGQLBOOY-WDEREUQCSA-N 296.754 1.127 0 50 CDAA O=c1c2c([nH]c3c(Br)cnn13)CCCC2 102136825 ULQVVXINUZHHDJ-UHFFFAOYSA-N 268.114 1.664 0 50 CDAA CCCNS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 10434440 WHIBNKISBGHATE-UHFFFAOYSA-N 280.349 1.525 0 50 CDAA CN(C)[C@]1(CNC(=O)c2cc(C3CC3)[nH]n2)CCSC1 67955933 UKBOAJLFAMTGIH-AWEZNQCLSA-N 294.424 1.454 0 50 CDAA CCCCC[C@H](C)NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239175798 QQPSTRPSJRTBSS-CKIKVBCHSA-N 281.352 1.726 0 50 CDAA CC(C)(C)CCC(=O)N1CCO[C@H](CC(=O)O)C1 124753795 WHGSUGINLMSEOC-SNVBAGLBSA-N 257.330 1.515 0 50 CDAA C[C@@H]1C[C@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)CCN1 423626592 SPULIWDFVKLGQB-TZMCWYRMSA-N 298.390 1.871 0 50 CDAA Cc1ccc([C@H](C)NS(=O)(=O)C2COC2)cc1 330212636 KJKAUHDGRGMYIU-JTQLQIEISA-N 255.339 1.374 0 50 CDAA NC(=O)C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 67473474 LJYZCEPEYMJSFL-LBPRGKRZSA-N 298.346 1.268 0 50 CDAA CCN(CC)CCC[C@@]1(C)NCCc2[nH]cnc21 65492158 QPOXZVUVIWXHRA-CQSZACIVSA-N 250.390 1.893 0 50 CDAA CO[C@H](C)CS(=O)(=O)NCc1csc(C(C)C)n1 253425342 CRSQUEPDEDQKNG-SECBINFHSA-N 292.426 1.721 0 50 CDAA NC[C@H]1CC[C@@H](c2nc(COc3ccc(F)cc3)no2)O1 328608773 BFHQWXNQFJYPNJ-NEPJUHHUSA-N 293.298 1.967 0 50 CDAA CC[C@H](C(=O)O)N(c1ccc(C)cc1)S(C)(=O)=O 39315700 BTMDVCIJJNFLPG-LLVKDONJSA-N 271.338 1.624 0 50 CDAA Cc1ccc(C(=O)N[C@H](CCO)C2CCOCC2)n1C 330897958 MLHKEMGAZIJFFZ-CYBMUJFWSA-N 280.368 1.241 0 50 CDAA CSc1cccc(CN(C)C[C@]2(O)CCNC2)c1 72468363 MUHFCTSYFSFNMG-AWEZNQCLSA-N 266.410 1.565 0 50 CDAA Cc1nc([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)no1 363641288 LVWFDVCTNIREHT-GFCCVEGCSA-N 289.339 1.624 0 50 CDAA CCC1(C)CN(C(=O)c2ccnc3c2ncn3C)C1 329747911 SQPPTSWYMPEUNT-UHFFFAOYSA-N 258.325 1.840 0 50 CDAA O=C(O)c1ccccc1C(=O)NCCCn1ccnc1 35122498 KYGDDLIEAZVTOY-UHFFFAOYSA-N 273.292 1.401 0 50 CDAA Cc1nn(C)c2ncnc(N(C)Cc3ccco3)c12 72454007 ROHYSBBVYGYWTE-UHFFFAOYSA-N 257.297 1.901 0 50 CDAA NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 33359640 JMBKCHZRWCSNCL-UHFFFAOYSA-N 294.307 1.725 0 50 CDAA O=C(N[C@@H]1COc2ccccc2C1=O)c1ccnc(O)c1 367738868 CUBBXAZBRUUSHF-LLVKDONJSA-N 284.271 1.161 0 50 CDAA CCCc1nc(C)cc(N2CCOC[C@@H](CN(C)C)C2)n1 72140046 CMYRELXECXRAIA-AWEZNQCLSA-N 292.427 1.752 0 50 CDAA NC(=O)c1ccc(N2CCC[C@@]3(CCCCO3)C2)nn1 369362651 MGWJDAYDZFPUTL-AWEZNQCLSA-N 276.340 1.115 0 50 CDAA CCN1CCOC[C@@H]1C(=O)NCC[C@H]1CCO[C@H](C)C1 332865857 NCVCOKBADJMRIO-HZSPNIEDSA-N 284.400 1.029 0 50 CDAA CCOc1cc(S(=O)(=O)NC[C@@H](C)O)c(C)cc1C 36638821 NUXRTXWETDJTSS-LLVKDONJSA-N 287.381 1.361 0 50 CDAA CCn1nncc1[C@H]1NC(C)(C)C(=O)N1CC(C)(C)C 333104476 CUMKIWRXNCESGG-NSHDSACASA-N 279.388 1.553 0 50 CDAA CCc1ncc(C(=O)N[C@H]2CC[C@H]2NC(C)C)cn1 72129046 NNJOPOCVCDLZNK-NEPJUHHUSA-N 262.357 1.298 0 50 CDAA CSCC[C@H](O)C(=O)NCc1ccc2nc(C)[nH]c2c1 215926333 XNFLVMSEAPJSTJ-ZDUSSCGKSA-N 293.392 1.602 0 50 CDAA OC[C@@H]1C[C@H](O)CN1c1nc(C2CCCC2)ns1 333837791 KOQJEHXNJQYOEK-UWVGGRQHSA-N 269.370 1.128 0 50 CDAA C[C@H](OCC1CC1)C(=O)N1CCC[C@H](C)[C@@H]1CN 237706977 CGJOUPOPMORZRW-GVXVVHGQSA-N 254.374 1.387 0 50 CDAA Cc1ncc(CC(=O)N[C@H](C)C2=CCCCC2)c(=O)[nH]1 71753190 VHZFKQINXSJWMI-SNVBAGLBSA-N 275.352 1.626 0 50 CDAA O=C(NC1(C(=O)O)CC1)c1ccc(N2CCCC2=O)cc1 237974015 VDOICVQHJSMHEC-UHFFFAOYSA-N 288.303 1.160 0 50 CDAA Cc1ccc(C(=O)Nc2nc(N(C)C)n[nH]2)cc1F 286073230 SAUPWMGNUCHULG-UHFFFAOYSA-N 263.276 1.571 0 50 CDAA C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(F)c(Cl)c1 129874898 HOPVUMKXLFFDJS-WPRPVWTQSA-N 287.718 1.701 0 50 CDAA CC(C)(C)NC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O 335392121 BRUDMMZQIYHGNE-SFYZADRCSA-N 250.289 1.633 0 50 CDAA COCC1(C(=O)N2CC(O)(c3ccccc3)C2)CCC1 288455518 ZFZPMAMXNOTVGW-UHFFFAOYSA-N 275.348 1.533 0 50 CDAA O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc2nccn2c1 175305497 WZULLJPAHXXBGM-HOCLYGCPSA-N 293.326 1.722 0 50 CDAA C[C@H](C(=O)O)N(C)S(=O)(=O)C[C@H]1CCCCC1(F)F 263210251 OVSSTHFYHXPDTL-RKDXNWHRSA-N 299.339 1.547 0 50 CDAA CN(CC(F)F)C(=O)[C@H]1Cc2ccccc2CN1 133266741 FRYAMWYLRZLLCK-LLVKDONJSA-N 254.280 1.424 0 50 CDAA C[C@@H](CN1CCOCC1)C(=O)NCCCc1ccncc1 223374355 SABYYYGDEIFCEV-AWEZNQCLSA-N 291.395 1.099 0 50 CDAA CCOC(=O)c1cnc2cnc(Br)cn12 221900007 CLHNCXYOABAAOP-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA Cc1ccc2nc([C@H](C)NC(=O)N3CCOCC3)[nH]c2c1 426574977 HKXBOYNYYJIDQQ-NSHDSACASA-N 288.351 1.974 0 50 CDAA CC1=CCN(C(=O)Cc2ccc(OCCN)cc2)CC1 426705689 LNKJTLQASRSBSD-UHFFFAOYSA-N 274.364 1.745 0 50 CDAA CN(CCC[C@@H]1CCCO1)C(=O)NCc1ccon1 426612408 KFTCTWTXVHFFMN-GFCCVEGCSA-N 267.329 1.775 0 50 CDAA Nc1nc(N2CCC(Cc3ccccc3)CC2)n[nH]1 90671150 FLXWLTDCFCXQRS-UHFFFAOYSA-N 257.341 1.846 0 50 CDAA COc1cccn(CC(=O)N2CCC(F)(F)CC2)c1=O 95519476 AXOVXZJLKPBDJS-UHFFFAOYSA-N 286.278 1.115 0 50 CDAA CSCC[C@H](NC(=O)c1cnn(C(C)C)c1)C(=O)O 95520159 ORAHHJKYPIOOMZ-JTQLQIEISA-N 285.369 1.400 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1CBr 148200325 PTHQYWRDNVOQQA-SFYZADRCSA-N 280.162 1.752 0 50 CDAA Clc1ncnc(N2CCOCC2)c1Br 230530509 NANDFJROGIOVKU-UHFFFAOYSA-N 278.537 1.729 0 50 CDAA COCCc1noc(-c2cc(CC(C)C)nn2C)n1 96164220 XGYRSRBAKNUKHY-UHFFFAOYSA-N 264.329 1.858 0 50 CDAA CO[C@H]1C[C@@H](O)C12CCN(C(=O)CCC(F)(F)F)CC2 91829630 RFIHGVLQKLIJKQ-ZJUUUORDSA-N 295.301 1.717 0 50 CDAA O=C(CC1CCCC1)N1CCC2(CC1)[C@@H](O)C[C@H]2O 91695166 OLXSPMKRTATNIW-BETUJISGSA-N 267.369 1.301 0 50 CDAA Cc1cnc(CNC(=O)Nc2cn(C(C)C)nn2)cn1 96136300 KASZLGQFYNVVMR-UHFFFAOYSA-N 275.316 1.279 0 50 CDAA COc1ccc(F)cc1NC(=O)N1CCOC[C@H](O)C1 95503401 XWWDOZVQUHICLC-SNVBAGLBSA-N 284.287 1.059 0 50 CDAA CCN1CCC[C@H]1CNc1ncc(F)c(N(C)C)n1 95365585 UCDWVUZKRYHKFS-JTQLQIEISA-N 267.352 1.578 0 50 CDAA CC(C)[C@@H]1CN(C(=O)c2cccc(CO)n2)C[C@H]1C(=O)O 91846624 FWGLQPWKNVQSIK-NWDGAFQWSA-N 292.335 1.003 0 50 CDAA CCOC(=O)c1nc2cc(Br)ccc2[nH]c1=O 95864393 AKIIAQCJJOJJDB-UHFFFAOYSA-N 297.108 1.862 0 50 CDAA CCc1nc(CN(C)CCn2nc(C)cc2C)n[nH]1 244695616 JPKBMSJZLIVPPN-UHFFFAOYSA-N 262.361 1.312 0 50 CDAA CC(C)CC[C@H]1CCCN1C(=O)NCc1ccc(=O)[nH]n1 297829597 ZXTVRYNABFOAGE-CYBMUJFWSA-N 292.383 1.880 0 50 CDAA Cn1ccc2c(OCC(=O)Nc3nc[nH]n3)cccc21 252491003 LIAFHAQCBUPPCS-UHFFFAOYSA-N 271.280 1.314 0 50 CDAA COC(=O)C12CC(CNC(=O)OC(C)(C)C)(C1)C2 258840309 ZWDDXONULXBIDW-UHFFFAOYSA-N 255.314 1.854 0 50 CDAA CC[C@@]1(C(=O)O)CCCN(c2cnc(C(=O)O)cn2)C1 534578978 OTMVMDZQFKCFJB-CYBMUJFWSA-N 279.296 1.256 0 50 CDAA Cn1cccc(C(=O)N2CCC(c3cc[nH]n3)CC2)c1=O 372659575 HDKVTGRCTKXGEO-UHFFFAOYSA-N 286.335 1.128 0 50 CDAA COCC1(CNC(=O)C[C@@H]2CCCOC2)CCC1 800054387 VIXDXEYNNLMJHZ-LBPRGKRZSA-N 255.358 1.736 0 50 CDAA Cc1nc([C@H]2CCOC2)cc(N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)n1 299789249 YCNQJKROZYNRHO-KZWBYHQPSA-N 289.335 1.056 0 50 CDAA C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CC(C(=O)O)C1 725377622 UZZACIBRFPTYKY-UNXYVOJBSA-N 298.383 1.791 0 50 CDAA CNC(=O)c1cc(Oc2ccc(O)c([N+](=O)[O-])c2)ccn1 138940175 YZCUJJLBAMMRCZ-UHFFFAOYSA-N 289.247 1.847 0 50 CDAA CN(C)CCn1c(=O)c(CO)cc2ccc(F)cc21 828821686 BGTVYWBJARJXLW-UHFFFAOYSA-N 264.300 1.195 0 50 CDAA Cc1ccc([C@@H]2CC(=O)Nc3nc(N)nc(N)c32)c(C)c1 670416177 VQSCECUMHJPSML-JTQLQIEISA-N 283.335 1.732 0 50 CDAA O=C(NCCCN1CCC(O)CC1)[C@H]1CC12CCC2 584896005 RMUJRJJRJVSHCJ-CYBMUJFWSA-N 266.385 1.140 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C)on1 670473514 KYAYCPTYZQKVNR-URLYPYJESA-N 250.298 1.765 0 50 CDAA O=C1NC[C@H]2CN(c3ccncc3C(F)(F)F)CCN12 865594171 UHRSLGFFPCYMKI-QMMMGPOBSA-N 286.257 1.314 0 50 CDAA Cc1csc(C(C)(C)NC(=O)[C@H]2C[C@@H]2C(=O)O)n1 268933078 ZDYKGYMTUQMJLO-YUMQZZPRSA-N 268.338 1.524 0 50 CDAA CN(C)c1cnn(Cc2cccc3nsnc23)c(=O)c1 1875339925 CRWJIDNYCONSOC-UHFFFAOYSA-N 287.348 1.362 0 50 CDAA C=CC(=O)N1CCC(C(=O)NCCC2CC2)CC1 1875369469 PYDYRZABMCPHOY-UHFFFAOYSA-N 250.342 1.327 0 50 CDAA Cn1cc(C[N@@]2C[C@H]2COc2ccc3ocnc3c2)cn1 1875382229 VPAGLIIEIKHJGS-BUXKBTBVSA-N 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1.153 0 50 CDAA Cc1nnc2n1C[C@@H](CNc1ncnc3sccc13)C2 1772707943 YZYWGHBDPFEYFU-SECBINFHSA-N 286.364 1.876 0 50 CDAA N=C(n1nnc2ccccc21)n1nnc2ccccc21 5520000 XULYYEAADFGYCX-UHFFFAOYSA-N 263.264 1.507 0 50 CDAA COC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 5102744 ULXSOXQBWVIYTK-UHFFFAOYSA-N 277.729 1.279 0 50 CDAA CC[C@@H](C(=O)NC)N(c1ccc(C)cc1)S(C)(=O)=O 13712917 LDPSPKJTHKNBGF-LBPRGKRZSA-N 284.381 1.286 0 50 CDAA COc1ccc(OCCCC(=O)N2CCOCC2)cc1 14397841 HJZXUQCOEIGZPR-UHFFFAOYSA-N 279.336 1.713 0 50 CDAA CC1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 16726557 WKDJEQNJEGQFFH-UHFFFAOYSA-N 282.365 1.206 0 50 CDAA CCN1CCN(Cc2ccc(NC(C)=O)cc2)CC1 19536694 LBBKNJKLEPMFMH-UHFFFAOYSA-N 261.369 1.783 0 50 CDAA CCN(C(=O)Cn1nnnc1C=Cc1ccccc1)C1CC1 1857528345 QVRJCIQZECPILT-UHFFFAOYSA-N 297.362 1.854 0 50 CDAA COc1c[nH]c(C(=O)N2Cc3cnc(C)cc3C2)cc1=O 1857670603 BDAOEPSYVOPHDM-UHFFFAOYSA-N 285.303 1.243 0 50 CDAA Nc1cncc(N2CCN(C3CCCCC3)C(=O)C2)n1 1857676265 NATLMJRNWJWSMC-UHFFFAOYSA-N 275.356 1.040 0 50 CDAA O=C1N[C@H]2C[C@@H]1N(C(=O)c1csc3ccccc13)C2 1857701320 OVPJFAWJUYPEDX-KWQFWETISA-N 272.329 1.614 0 50 CDAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCNC[C@H]1C)C2 124362626 FRMNMSCSAONGJC-YPMHNXCESA-N 290.363 1.067 0 50 CDAA C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1COCCN1 252533136 FXXUPBAXIYYWAM-YUELXQCFSA-N 274.364 1.379 0 50 CDAA CCC(=O)c1ccc(OC[C@@H](O)CN2CCOCC2)cc1 19831751 OLGRRKKKZVVCNR-AWEZNQCLSA-N 293.363 1.351 0 50 CDAA C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(-n2cccn2)cc1 262410088 NXEQXODIOZPJIC-BPNCWPANSA-N 299.330 1.770 0 50 CDAA Cc1ncc(C)c(NC(=O)COC[C@@H]2CCCO2)n1 585124582 IKXWCWOTHWBYTB-NSHDSACASA-N 265.313 1.228 0 50 CDAA COCCN1CCC(NC(=O)c2ccc(Cl)cn2)CC1 265436592 INTMAIDISNQFCK-UHFFFAOYSA-N 297.786 1.576 0 50 CDAA Cc1cccc(C(=O)N2CC[C@@H](C(=O)O)C2)c1F 164437863 JUOGPBMPFIVKMS-SECBINFHSA-N 251.257 1.681 0 50 CDAA Cc1cc(CN(C)CC[C@H]2COCCO2)ccn1 1775978616 GCGCZTMPIBTPLK-AWEZNQCLSA-N 250.342 1.627 0 50 CDAA COCc1csc(C(=O)NC[C@@H]2CCN2C)c1 928552514 VILFHEDLGZSOQU-JTQLQIEISA-N 254.355 1.328 0 50 CDAA CC1(C)CC(=O)NCCN1Cc1ncc(C2CC2)o1 931207192 UVADIIMVUFVNHB-UHFFFAOYSA-N 263.341 1.653 0 50 CDAA C[C@@H]1CNCCN1C(=O)COc1ccc(F)cc1F 178496091 IUBLVEZFGNBQAP-SECBINFHSA-N 270.279 1.164 0 50 CDAA Cc1cc2n(n1)CCN(Cc1ncccc1C(=O)O)C2 65433905 QAVVROAXEOMEBE-UHFFFAOYSA-N 272.308 1.301 0 50 CDAA CCOC(=O)CCCN1CCC[C@@H]1C(=O)OCC 71772120 SNPLCAHWAKHFSW-LLVKDONJSA-N 257.330 1.357 0 50 CDAA Cc1nc(CN(C)CC(=O)NCc2ccco2)cs1 198399324 CYGYYSPDHFELSK-UHFFFAOYSA-N 279.365 1.793 0 50 CDAA CCc1nccn1CCCNc1ncncc1C(=O)O 95375067 ZXGSXXGQAGHNTA-UHFFFAOYSA-N 275.312 1.436 0 50 CDAA COCc1csc(CNCc2cn(C)nn2)c1 657432976 RNAGZIKGDUWNBZ-UHFFFAOYSA-N 252.343 1.313 0 50 CDAA CSc1nc2c(cnn2-c2ccccc2)c(=O)n1N 99760 HMORPDDUXGCBPB-UHFFFAOYSA-N 273.321 1.018 0 50 CDAA C[C@H](O)c1nc([C@@H](C)O)nn1CC(=O)c1ccccc1 5374783 WYKYTEYANTXFOW-ZJUUUORDSA-N 275.308 1.268 0 50 CDAA COc1cc2c(cc1-c1cc(C)[nH]c(=N)n1)OCO2 2100480299 CUWVQPRSJHRRDN-UHFFFAOYSA-N 259.265 1.602 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CNC(=O)COC2)C1 307471501 XTAVVWXELPHGMU-CQSZACIVSA-N 284.356 1.150 0 50 CDAA COc1ccccc1N1C(N)=NC(N)=NC12CCCC2 146412 JDKOMUBFZLLEMD-UHFFFAOYSA-N 273.340 1.415 0 50 CDAA Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1 299868 BHOOPQZQRVONAL-UHFFFAOYSA-N 262.334 1.869 0 50 CDAA CC(C)(C)OC(=O)N[C@H](Cc1ccco1)C(=O)O 2379455 YWLUWSMJXXBOLV-SECBINFHSA-N 255.270 1.800 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1c1ccnc2ccncc12 343685635 MMILWMLOWYYHFQ-NWDGAFQWSA-N 273.336 1.870 0 50 CDAA Cc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)o1 4552921 SGFRBDFPJHKGPF-UHFFFAOYSA-N 292.379 1.659 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 6701507 LTARFKWCDPODGH-LBPRGKRZSA-N 296.392 1.605 0 50 CDAA CCc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1C 6701922 XKCBRSQUFUPJBQ-ZETCQYMHSA-N 297.409 1.953 0 50 CDAA CCOc1ccc(CNCCOCCO)cc1Cl 10436449 KUTLDEFEADBJDE-UHFFFAOYSA-N 273.760 1.837 0 50 CDAA COc1ccccc1CN1CCN(C(C)C)[C@@H](CCO)C1 22851371 FEJLAKCEEGOXHH-INIZCTEOSA-N 292.423 1.972 0 50 CDAA CCN(Cc1noc(CC(C)C)n1)C(=O)[C@@H]1CCNC1 55393306 YLXJBXCENGRTFP-LLVKDONJSA-N 280.372 1.226 0 50 CDAA CCOC(=O)c1cnc2c(Br)cnn2c1O 20286592 VSSOHNRUSIYEII-UHFFFAOYSA-N 286.085 1.374 0 50 CDAA O=C(NC1(c2noc(C3CC3)n2)CCCC1)C1COC1 135162579 RVQHFFIEHAMCDA-UHFFFAOYSA-N 277.324 1.479 0 50 CDAA c1ccc(Cc2noc(-c3nc4ncccn4n3)n2)cc1 20775641 RBAQPHCRXHEBKW-UHFFFAOYSA-N 278.275 1.765 0 50 CDAA COc1ccc(C)cc1-n1c(COC(C)C)n[nH]c1=O 65370813 BCMVGDDPXGVFOU-UHFFFAOYSA-N 277.324 1.803 0 50 CDAA Cc1ccc(F)cc1CN[C@@H](C(=O)O)c1ccnn1C 424623300 POJAKPQLMOBLLK-CYBMUJFWSA-N 277.299 1.783 0 50 CDAA COC(=O)c1cccc(N2CCCCS2(=O)=O)c1 65363603 QHOGMVDKLUIHKT-UHFFFAOYSA-N 269.322 1.403 0 50 CDAA CCN1CN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1=O 252490639 KYGQTXWMHWPRJA-UHFFFAOYSA-N 289.310 1.498 0 50 CDAA CC(C)N1CCN(CCCN2C[C@@H]3C[C@H]2CS3)CC1 328598335 LLXMJHZHCZELFK-GJZGRUSLSA-N 283.485 1.592 0 50 CDAA COCC(=O)N[C@H](C(=O)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21)C(C)C 252512497 RLIXHIJFOZPULA-QIRZIZBZSA-N 294.395 1.031 0 50 CDAA CNC[C@H]1CCCN1C(=O)Cn1ccc(=O)c2ccccc21 237236171 WJVNHDJEBXIVEJ-CYBMUJFWSA-N 299.374 1.212 0 50 CDAA C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)[C@@H]1CC1(C)C 328960220 PKCWLCKLKPBQLA-UUIJZJDISA-N 290.411 1.716 0 50 CDAA COCCn1cncc1Cn1cc([C@H]2CC=CCC2)nn1 67907972 QFBVDLIQUUPAJK-ZDUSSCGKSA-N 287.367 1.993 0 50 CDAA CON(C)C(=O)c1cc2c([nH]c1=O)CCCCC2 155454748 XZUVGMVMKYCYLO-UHFFFAOYSA-N 250.298 1.277 0 50 CDAA COC(=O)CCc1ccc(OC[C@@H](O)CNC(C)C)cc1 896523 AQNDDEOPVVGCPG-AWEZNQCLSA-N 295.379 1.530 0 50 CDAA biogenic,fda CO[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O 172735650 UEFXBFVXSIJSIB-TZMCWYRMSA-N 290.363 1.642 0 50 CDAA CC(C)N1CCC[C@@H](NC(=O)CC[C@H]2CCC(=O)N2)C1 333722584 RTYTVDSBMKKCMW-CHWSQXEVSA-N 281.400 1.034 0 50 CDAA C[C@H](CNC(=O)c1cccc2c1ccn2C)C(=O)O 237491143 UQMQRWHVYIFEAH-SECBINFHSA-N 260.293 1.629 0 50 CDAA CCn1cc(C(=O)N[C@H](C)C2(OC)CCC2)cn1 331893362 AMBJVYOCGDJFTC-SNVBAGLBSA-N 251.330 1.590 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2-c2ccccc2OC)C1 260092363 CGUDRFMXWMKKFY-SNVBAGLBSA-N 287.319 1.689 0 50 CDAA O=C(c1cn[nH]c1)N1CCC[C@H](Cn2ccnc2)C1 215967336 GOMHIUCYJIVAQH-LLVKDONJSA-N 259.313 1.159 0 50 CDAA CCOC1CC(C(=O)N2CCO[C@H](c3noc(C)n3)C2)C1 367738042 RATOOPKLFWNNFX-MCIGGMRASA-N 295.339 1.093 0 50 CDAA C[C@@H]1c2ccccc2CCN1C(=O)CNC[C@@H]1CCCO1 237598933 RKTHTXVRCVFLTL-HIFRSBDPSA-N 288.391 1.901 0 50 CDAA CCCNS(=O)(=O)c1cccc(C(=O)OC)c1 37022120 YYBXFEQYGBSIST-UHFFFAOYSA-N 257.311 1.162 0 50 CDAA Cc1nc(CNC(=O)c2cccc3c2O[C@H](C)C3)no1 449871454 MUDWODLAWUMIFK-MRVPVSSYSA-N 273.292 1.631 0 50 CDAA Cn1cc(CNC[C@@H]2CCCOC2)c(-c2ccncc2)n1 237926033 SWYRGOZYQHIFMK-ZDUSSCGKSA-N 286.379 1.998 0 50 CDAA NC[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 238048673 UXNDQOXITNYALH-GFCCVEGCSA-N 288.326 1.779 0 50 CDAA CN(CCC(=O)O)C(=O)NCc1cccc2c1OCO2 263057846 RRRJMBQYJNBCCC-UHFFFAOYSA-N 280.280 1.031 0 50 CDAA Cn1nccc1[C@H]1CCCN(Cc2cc[nH]c(=N)c2)C1 373262169 UHNHTOJPKRILFX-ZDUSSCGKSA-N 271.368 1.607 0 50 CDAA CCNC(=O)CNc1nc(-c2ccccn2)nc(C)c1C 130867027 WHLNPOBDYXMDJV-UHFFFAOYSA-N 285.351 1.703 0 50 CDAA CCCc1ncncc1C(=O)N(C)[C@@H]1CCN(C)C1 215951902 TXWUEFKGLDLWNT-LLVKDONJSA-N 262.357 1.205 0 50 CDAA CCOc1cc2c(cc1OCC)[C@H](C(CO)CO)NCC2 32099028 DLPCTIQNIDHILA-INIZCTEOSA-N 295.379 1.272 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(C)c1C 41096293 XSHKEPZLMGQBCG-NSHDSACASA-N 287.381 1.361 0 50 CDAA CC(C)n1cnc(C(=O)N2CCO[C@]3(CCCOC3)C2)c1 286498188 WJXQCBNARALIFR-OAHLLOKOSA-N 293.367 1.486 0 50 CDAA CN(CCn1ccnc1)C(=O)c1scc2c1OCCO2 222332719 NLANSTRRAVXKOD-UHFFFAOYSA-N 293.348 1.488 0 50 CDAA C[C@@]1(C(=O)O)CCCN1C(=O)Cn1ncc2ccccc21 263438084 LVKWJIWZUVYIAX-HNNXBMFYSA-N 287.319 1.502 0 50 CDAA O=C(Cc1nc(O)n[nH]1)N1CCCC[C@@H]1c1nccs1 426582878 TVUVASOXTIGWSR-MRVPVSSYSA-N 293.352 1.263 0 50 CDAA c1cn(CCCN[C@@H]2CCOC3(CCOCC3)C2)cn1 82137762 GTAZQRIVXMZHSW-CQSZACIVSA-N 279.384 1.591 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)[C@]1(C)CCCO1 426478755 KYWDGPBHVWZXIE-AWEZNQCLSA-N 275.308 1.750 0 50 CDAA CC(C)c1nccc(C(=O)N2CCc3n[nH]cc3C2)n1 426668226 FARZBCSGTCEEEZ-UHFFFAOYSA-N 271.324 1.522 0 50 CDAA CCCc1cc(C(=O)N2CCC[C@](O)(CN(C)C)C2)no1 82166659 RSYNKFVPDIVHHP-HNNXBMFYSA-N 295.383 1.156 0 50 CDAA CCCc1cc(NC(=O)[C@@H]2CCCN(C(C)=O)C2)n(C)n1 179575869 JNEMZTXBWHBAQN-GFCCVEGCSA-N 292.383 1.570 0 50 CDAA Cc1cccc([C@H](NC(=O)Cc2nonc2C)C(=O)O)c1 426738959 ADFQBJPZOJAJPW-ZDUSSCGKSA-N 289.291 1.171 0 50 CDAA CC[C@H](C(=O)NCc1cnc(C)cn1)n1cccn1 92097593 CUZIUENMNKETQW-GFCCVEGCSA-N 259.313 1.249 0 50 CDAA Cc1nonc1OCCNc1cc(C2CC2)ncn1 91305225 RCIAYGLDMVRTHA-UHFFFAOYSA-N 261.285 1.536 0 50 CDAA Cc1ccc(-c2ccc(=O)n(C)n2)c(-n2cccn2)c1 96161229 VGHCERKWSZRTBC-UHFFFAOYSA-N 266.304 1.941 0 50 CDAA C[C@H](Cn1cncn1)NC(=O)N1CC[C@@H](C)[C@H]1C 267795172 VWESQAHZHUWEET-GMTAPVOTSA-N 251.334 1.107 0 50 CDAA CC[C@H](COC)NC(=O)c1cc(C)c(C)n(C)c1=O 97635005 AHSGHJXYTWLQDF-LLVKDONJSA-N 266.341 1.157 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CCCO1)c1ncc(C(=O)O)s1 621607784 BBPYHTDDFWQVDZ-RQJHMYQMSA-N 270.310 1.198 0 50 CDAA Cc1nc(CN2C[C@@H](C(=O)O)[C@H](c3cccnc3)C2)co1 91986192 IERHGFZCSGMECJ-UONOGXRCSA-N 287.319 1.678 0 50 CDAA CC[C@@H](C)[C@H](CO)NC(=O)c1ccc2c(c1)N=C(O)CO2 252507623 WPUMQKUWNURATJ-SKDRFNHKSA-N 292.335 1.804 0 50 CDAA O=c1c(=Cc2ccco2)sc2nc(-c3ccccc3)nn12 254764876 QDDSAAOBNRWOLI-UHFFFAOYSA-N 295.323 1.959 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H](N2CCC[C@H]2C(=O)O)C1 253388935 AOIYRLKOLHVIGJ-RYUDHWBXSA-N 298.383 1.935 0 50 CDAA CN(C)c1ccccc1N(C)S(=O)(=O)c1cn(C)cn1 269384879 QLFINEZFBLHGHO-UHFFFAOYSA-N 294.380 1.311 0 50 CDAA O=C(CCCOCc1ccccc1)NCc1nc(O)n[nH]1 358357772 OMWCCKSGZGLALH-UHFFFAOYSA-N 290.323 1.124 0 50 CDAA COCC(C)(C)NC(=O)c1cc(C(C)(C)C)nc(O)n1 534640953 MDLNHTKIDBJYDI-UHFFFAOYSA-N 281.356 1.635 0 50 CDAA COC[C@@H](NC(=O)[C@H](C)Cc1cccc(Cl)c1)C(=O)O 262818406 BLJGHDMTAGNJBD-BXKDBHETSA-N 299.754 1.734 0 50 CDAA c1nc2[nH][nH]cc-2c(=NC[C@H]2CCN(C3CCCC3)C2)n1 534588917 LIPSNASLCMCIHO-LLVKDONJSA-N 286.383 1.403 0 50 CDAA Cc1nc(C)c(C(=O)N[C@@H](c2ncnn2C)C(C)C)o1 534657563 DXLBTDVSRNZFNJ-SNVBAGLBSA-N 277.328 1.547 0 50 CDAA Cn1cncc1C(=O)NC1CCN(C2CCCC2)CC1 289608473 LCSIUBKVUWKBEG-UHFFFAOYSA-N 276.384 1.557 0 50 CDAA CC(C)Cc1nc(CNC(=O)[C@H](C)OC(C)C)no1 299784455 JSNDMYNWRHEKNP-JTQLQIEISA-N 269.345 1.698 0 50 CDAA CCn1nc(C)c([C@H](C)NC(=O)c2cncc(=O)[nH]2)c1C 584890511 YABWYHXIYBHLMA-QMMMGPOBSA-N 289.339 1.094 0 50 CDAA CC1(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)CCCC1 826846942 NVOTZWIDMJRFAJ-GHMZBOCLSA-N 250.342 1.503 0 50 CDAA Cc1cccc(C[C@H](C)N=c2nn[nH]n2-c2ccccc2)n1 670460730 UVZIQOVEPKIDPF-ZDUSSCGKSA-N 294.362 1.831 0 50 CDAA Cc1nc(CCn2cnc3nccnc3c2=O)sc1C 584898208 CAKMWKSSTGHZJS-UHFFFAOYSA-N 287.348 1.503 0 50 CDAA CCCn1nccc1C(=O)N(C)Cc1nncn1CC 584890114 WTOXWYSYSBYMME-UHFFFAOYSA-N 276.344 1.177 0 50 CDAA COc1cc2c(cc1CN[C@@H](C)CCN(C)C)OCCO2 670468127 CUUNBYKESIZGEX-LBPRGKRZSA-N 294.395 1.896 0 50 CDAA CC1(C)C(C(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)C1(C)C 1549230797 SHMKPJHSNUYGEG-VFZGTOFNSA-N 281.352 1.228 0 50 CDAA COc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]3OCC[C@@H]3N1)C2 1550722340 QBRKWVAJAJLUNP-KKUMJFAQSA-N 288.347 1.057 0 50 CDAA O=C(COCC(F)(F)F)Nc1c[nH]nc1[C@@H]1CCNC1 952890845 KGYRGVFQFVCEDQ-SSDOTTSWSA-N 292.261 1.004 0 50 CDAA Cc1cn(C)nc1CNC(=O)[C@@H](CO)c1ccccc1 1875285887 DWOTYIPJZXYMBB-ZDUSSCGKSA-N 273.336 1.121 0 50 CDAA C[S@](=O)c1cccc(NC(=O)C2(C(=O)O)CC=CC2)c1 1875278031 URMBVGHAVFWNCZ-FQEVSTJZSA-N 293.344 1.784 0 50 CDAA Cc1conc1CN[C@H](c1cccnc1)c1cnn(C)c1 1875291258 SNILJICJJALRNE-OAHLLOKOSA-N 283.335 1.991 0 50 CDAA Cc1[nH]nc2ncnc(N3CCCO[C@@H](CF)C3)c12 1875294674 MQBXGAPSTNHXJI-VIFPVBQESA-N 265.292 1.226 0 50 CDAA CC(C)C(=O)N1C[C@](O)(C(F)(F)F)c2cccnc21 1875286556 VTFVCERQFYTXST-LLVKDONJSA-N 274.242 1.834 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cc(C)nc2[nH]nc(C)c12 1875273293 MPIHBKIIXNLKAI-SNAWJCMRSA-N 288.307 1.034 0 50 CDAA COC(=O)/C=C/CNC(=O)Cc1n[nH]cc1CC(C)(C)C 1875311762 MSMJFDGLXFJTLO-AATRIKPKSA-N 293.367 1.386 0 50 CDAA CC(C)Cc1nc(=NC(=O)N[C@H]2C[C@H](O)C2(C)C)s[nH]1 1875396698 RFPFAKYULAFQOB-IUCAKERBSA-N 298.412 1.439 0 50 CDAA CCN(CC(C)(C)O)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875393681 KSMRDPOEPPHPRM-VHSXEESVSA-N 295.383 1.665 0 50 CDAA Cc1cccc2nc(CCNC(=O)/C=C/CN(C)C)cn12 1875377004 PPPRGZNNOOQLHA-VMPITWQZSA-N 286.379 1.419 0 50 CDAA Cc1noc(C)c1CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076077763 YBADMUVVPNECCY-KGLIPLIRSA-N 289.339 1.229 0 50 CDAA Cn1ccnc1C(=O)N[C@H](Cn1ccnc1)c1ccccc1 952992072 WBTGPOHQPCXWRL-CQSZACIVSA-N 295.346 1.788 0 50 CDAA CCCn1cnnc1CN[C@H](C)Cn1ccnc1CC 952873699 NCAOFYXNZOTERI-GFCCVEGCSA-N 276.388 1.625 0 50 CDAA Cc1cc(C(=O)N2CC(c3ccncc3)C2)nc(C)n1 952975909 MDUAHAXIHIMRCE-UHFFFAOYSA-N 268.320 1.728 0 50 CDAA CO[C@H]1CCN([C@H]2CCC[C@H]2NC(=O)C2CC=CC2)C1 888078888 GKXHUJIMPJIPSW-ZNMIVQPWSA-N 278.396 1.711 0 50 CDAA O=C(c1ccc(F)c2ccncc12)N1CC[C@@H]1CO 889159862 PLLQDWYWUPJTRV-SECBINFHSA-N 260.268 1.581 0 50 CDAA CN(C)[C@@H]1CCCN(Cc2cc3n(n2)CCCO3)C1 1776004729 VWPPJXDVHOPYFL-CYBMUJFWSA-N 264.373 1.192 0 50 CDAA COC(=O)[C@@H]1C[C@@H](F)C(=O)N1C(=O)OC(C)(C)C 39326144 QBKBNRNCKCOQQN-RQJHMYQMSA-N 261.249 1.034 0 50 CDAA in-vitro Cn1cc([C@@H]2CN(C(=O)Cc3cncs3)CCO2)cn1 276324683 XGKBTOPVBLOECZ-LBPRGKRZSA-N 292.364 1.019 0 50 CDAA COC[C@H](NC(=O)N1Cc2ccccc2C1)[C@@H]1CCCO1 279810492 XNKOIKZJAQCGEG-GJZGRUSLSA-N 290.363 1.906 0 50 CDAA COCc1ccc(C(=O)NCCc2ccc(O)nc2)o1 552035908 NUGCWLFBZOECJF-UHFFFAOYSA-N 276.292 1.499 0 50 CDAA Cc1ccccc1CNC(=O)Cn1cnc(C)c(C)c1=O 188231314 QTSCLTDNBBKMLR-UHFFFAOYSA-N 285.347 1.485 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CO)O2)CC1 91303554 CDYKLWYIDSDHBS-NSHDSACASA-N 271.357 1.927 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)O)o2)CC1 217599584 NLTZOFKFFKRWGB-UHFFFAOYSA-N 297.311 1.430 0 50 CDAA CCc1nnc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)o1 408046795 YBKOODHFPJCPPB-YNEHKIRRSA-N 295.383 1.384 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(c2ccncc2Cl)C1 643721298 WMCSZFUTRCWHEV-ZDUSSCGKSA-N 283.759 1.202 0 50 CDAA CCc1ccc2occ(C(=O)NCCc3nc(=N)[nH][nH]3)c2c1 408517464 KAWIGVACXIMMRU-UHFFFAOYSA-N 299.334 1.498 0 50 CDAA OC[C@@]1(NCc2ccc(Br)o2)CCOC1 191592833 QOWMEAAZZWTDAT-JTQLQIEISA-N 276.130 1.283 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)c2ccoc2C)C1(C)C 191692021 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TVFCPKJAMYWDOG-UHFFFAOYSA-N 291.376 1.481 0 50 CDAA Cn1cc(CN2CCc3ccccc3[C@H]2CC(=O)O)nn1 1615548001 HPRNNAZXYADCMH-CQSZACIVSA-N 286.335 1.389 0 50 CDAA O=C(NCc1cccnc1O)[C@@H]1NCCOc2ccccc21 1615548326 RSXMACICQIUXOU-CQSZACIVSA-N 299.330 1.127 0 50 CDAA O=C(c1nnc(NC2CC2)o1)N1CCCCCC1 1616039906 YJDXMUTUUNAIEY-UHFFFAOYSA-N 250.302 1.660 0 50 CDAA CC(C)CNC(=O)c1cnc2sccn2c1=O 12382288 BOFZHOWAOCNTDF-UHFFFAOYSA-N 251.311 1.142 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)cc1 138755417 KSWHPHZJYZLCEB-WISYIIOYSA-N 279.267 1.642 0 50 CDAA C[C@H]1CN(C2=NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 13450654 MGBMWLCECWIBOG-AOOOYVTPSA-N 280.349 1.245 0 50 CDAA CCOc1ccccc1CNCCNC[C@@H](C)O 19370630 KILLFNAAZZVBED-GFCCVEGCSA-N 252.358 1.145 0 50 CDAA O=C(COc1ccc(F)cc1)NCCCN1CCOCC1 19877200 ZHQMMCOEJGFDNM-UHFFFAOYSA-N 296.342 1.043 0 50 CDAA CO[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 168940016 PXTSBBVJVUIEEQ-RNCFNFMXSA-N 290.319 1.315 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOC(C)(C)C3)n[nH]c21 1857529636 TZEYGNHEWYTLJX-ZJUUUORDSA-N 293.367 1.683 0 50 CDAA OC1(c2ccccc2)CCN(c2ncc3cn[nH]c3n2)CC1 1857709139 HPQUFCMJBRRUKB-UHFFFAOYSA-N 295.346 1.841 0 50 CDAA Cc1ccc(C(=O)N2CCN(CCO)C[C@H]2C)c(F)c1 335587363 SQPZXCSDXCFIQM-GFCCVEGCSA-N 280.343 1.273 0 50 CDAA NC[C@H]1CC[C@@H](NC(=O)c2ccnn2-c2ccccc2)C1 423750325 UQKULROKYDXLQA-QWHCGFSZSA-N 284.363 1.730 0 50 CDAA Cc1ccccc1Cc1noc([C@H]2CCO[C@H]2CN)n1 414644895 PLDCOWJFVVJZAO-STQMWFEESA-N 273.336 1.800 0 50 CDAA C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)CC(=O)O 237513440 HUGSHXNMLRGPAF-HIFRSBDPSA-N 276.380 1.913 0 50 CDAA C[C@H](NC(=O)CN1CCC(CO)CC1)[C@H]1C[C@H]2CC[C@H]1C2 252436598 QBMFYNRXDWAFQW-QCEMKRCNSA-N 294.439 1.632 0 50 CDAA COCC[C@@H](CO)NC(=O)NC[C@H]1Cc2ccccc21 252508219 XGYJEZINTMYSHX-OLZOCXBDSA-N 278.352 1.023 0 50 CDAA NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 35620 AUZYCLCFABOSPV-UHFFFAOYSA-N 294.307 1.725 0 50 CDAA CSCC[C@@H](O)C(=O)N(C)Cc1c(C)noc1C 220214537 JHIPVSRVKUTLHX-LLVKDONJSA-N 272.370 1.364 0 50 CDAA CCc1ccccc1OCC(=O)N1CCNC[C@@H]1C 125705855 RKKSOVHGCSBUDP-LBPRGKRZSA-N 262.353 1.448 0 50 CDAA Cc1nc([C@@H]2CCCN2CCOC[C@H]2CCCO2)no1 257365523 IXANMQLMRHMUKT-OLZOCXBDSA-N 281.356 1.711 0 50 CDAA C[C@@H]1CN(C(=O)c2csc(C3CC3)n2)CCN1 155045153 VMXNERKVSAJCIV-MRVPVSSYSA-N 251.355 1.454 0 50 CDAA O=c1c2ccsc2ncn1C[C@H](O)c1cccnc1 32551076 LKJUXFRMBIKYCX-NSHDSACASA-N 273.317 1.587 0 50 CDAA CN[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 261758984 MSRPQFZBJLAHKL-ZDUSSCGKSA-N 262.353 1.642 0 50 CDAA NCC(F)(F)CNC(=O)[C@@H]1CCOc2ccccc21 162565483 BMWOLLOUILSWGG-SNVBAGLBSA-N 270.279 1.263 0 50 CDAA O=C(NCC1(C(=O)O)CC1)c1ccccc1OC(F)F 166963743 NOQFGVMAOVVEMW-UHFFFAOYSA-N 285.246 1.883 0 50 CDAA COc1ccc(Cl)cc1CC(=O)NC[C@H]1CCCN1 178715326 QOBZYDVMBQWDFE-GFCCVEGCSA-N 282.771 1.759 0 50 CDAA C[C@@H]1CCCN(C(=O)C2CCSCC2)[C@H]1CN 299739874 SOXPZDJAUARDJX-PWSUYJOCSA-N 256.415 1.715 0 50 CDAA O[C@]1(CN[C@@H]2CCN3CCC[C@H]3C2)CCSC1 305377680 ZVIDZIHTESLOEZ-AGIUHOORSA-N 256.415 1.071 0 50 CDAA CS(=O)(=O)c1ccc(N2CCC[C@]3(CCNC3)C2)cc1 420254380 RHQWMKJEQVNXFJ-OAHLLOKOSA-N 294.420 1.670 0 50 CDAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1CCC(=O)NC1 335894700 XRNJJVHXHGKHNO-RKDXNWHRSA-N 292.301 1.702 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1CCN1CCOCC1 340884954 LLBNVFZMNNUFBF-QLFBSQMISA-N 252.402 1.972 0 50 CDAA OC1(CN2CCC([C@H]3CCCO3)CC2)CCOCC1 364148867 QMGUHALATJMPFQ-CQSZACIVSA-N 269.385 1.419 0 50 CDAA Cc1cc(C(=O)NC/C=C/CO)c2c(C)noc2n1 617691892 CPFDCDNLFOOVFH-ONEGZZNKSA-N 261.281 1.118 0 50 CDAA COc1ccc(CC(=O)OCC2(C(N)=O)CC2)c(C)c1 2325784002 SONDDBMQUVXGOI-UHFFFAOYSA-N 277.320 1.355 0 50 CDAA Cc1cnc(N)c(S(=O)(=O)Nc2ccc(CN)cc2)c1 2325865640 KGFZMNUQXKQXBW-UHFFFAOYSA-N 292.364 1.232 0 50 CDAA CC(=O)N1C[C@@H](c2ccccc2)[C@](F)(C(=O)O)C1 872324215 COWVBPYPNDATOI-AAEUAGOBSA-N 251.257 1.425 0 50 CDAA CO[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C[C@@H]1C 1449867592 ZBRHXIYMFXJCIO-SMDDNHRTSA-N 288.351 1.315 0 50 CDAA c1cn(-c2ccc(CN3C[C@@H]4CCN[C@@H]4C3)cc2)cn1 97797309 OZSJQORVJMXZMN-GOEBONIOSA-N 268.364 1.666 0 50 CDAA O=C(c1cc2ccccc2oc1=O)N1CCOCC1 50443 SLSKQRHMOPTNAU-UHFFFAOYSA-N 259.261 1.265 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CCCO1 367747 OUJLQEAYMFYAOW-LLVKDONJSA-N 285.365 1.461 0 50 CDAA CCn1c(SCC(N)=O)nnc1-c1cccs1 530233 SMGUPMWNBMQHHE-UHFFFAOYSA-N 268.367 1.604 0 50 CDAA Cc1noc(C)c1-c1cnc2c(N3CCOCC3)nccn12 2356135541 JGXUTIDEPWVROT-UHFFFAOYSA-N 299.334 1.838 0 50 CDAA O=S(=O)(CCO)c1ccc(Cl)c(Cl)c1 2511139 BUGOSLZRRRMSSH-UHFFFAOYSA-N 255.122 1.759 0 50 CDAA CCOCc1nnc(NC(=O)[C@@H]2CCCO2)s1 2734599 XFGPZUDSDNPMIN-ZETCQYMHSA-N 257.315 1.192 0 50 CDAA Cc1cccc(NC(=O)CS(=O)(=O)c2ccccc2)n1 4412361 WJNBQZHNHZURII-UHFFFAOYSA-N 290.344 1.802 0 50 CDAA CCC[C@@H]1C[C@H]1C(=O)NCc1nc(CO)cs1 360666220 NYIRCUVKBHVANC-PSASIEDQSA-N 254.355 1.688 0 50 CDAA CC(=O)NC[C@H]1CC[C@H](CNC(C)=O)c2ccccc21 4543119 RICTWIGYKJCSLP-ZIAGYGMSSA-N 274.364 1.920 0 50 CDAA COCCN1CC(=O)N(C[C@H]2CCCN2CC(C)C)C1=O 225558717 ARWHVLGKPZXLIG-CYBMUJFWSA-N 297.399 1.017 0 50 CDAA CCOC(=O)Cn1nc(C)n(-c2ccc(C)cc2)c1=O 1385043 JBADWBYBEBGHSQ-UHFFFAOYSA-N 275.308 1.214 0 50 CDAA O=c1[nH]c(NCCCO)nc2sc3c(c12)CCCC3 8770868 GSLMQVASBNKEQX-UHFFFAOYSA-N 279.365 1.658 0 50 CDAA C[C@H](O)CN1CCN(C[C@H](O)c2ccccc2F)C[C@H]1C 247245506 SSGNZJTYUPBOKE-WWGRRREGSA-N 296.386 1.246 0 50 CDAA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)cc1 100659636 GZDBXDZKEVWWRH-AAVRWANBSA-N 299.282 1.055 0 50 CDAA CCOC(=O)[C@@H]1C(=O)[C@H](C(=O)OCC)[C@H](C)S[C@H]1C 25557517 DTCBUAQEHFOPCO-AATLWQCWSA-N 288.365 1.438 0 50 CDAA O=C(O)C[C@H](NC(=O)c1ccc(CO)cc1)C1CC1 137158101 FAKWNFVRZOUWMN-LBPRGKRZSA-N 263.293 1.162 0 50 CDAA NC(=O)CC[C@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 66143257 WJXHCVNCJDWUCO-GFCCVEGCSA-N 290.363 1.439 0 50 CDAA NCC[C@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 67955149 ROHLRXCMSYQBOK-GFCCVEGCSA-N 299.378 1.673 0 50 CDAA COc1ccc(CCC(=O)NCC2(C)COC2)cc1OC 112617370 VITUPPPPIJITAW-UHFFFAOYSA-N 293.363 1.789 0 50 CDAA CC(C)N1[C@H]2CC[C@H]1CN(c1cn[nH]c(=O)c1Cl)CC2 252476875 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262.313 1.844 0 50 CDAA Cc1nn(C[C@@H](C)NCCn2ccnn2)c(C)c1Cl 534655269 RCEFVHSCCQFSNI-SECBINFHSA-N 282.779 1.423 0 50 CDAA Cc1nc[nH]c1CNC(=O)c1cccc(CN(C)C)c1 359515353 JCNSROIASINPSV-UHFFFAOYSA-N 272.352 1.710 0 50 CDAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1cc(C)no1)CC2 299785496 SISPVXZRWFMICI-FPMFFAJLSA-N 266.341 1.487 0 50 CDAA COc1cc(CCc2ncnn2CCO)ccc1C 828778557 XZSWOQWXLAYTNV-UHFFFAOYSA-N 261.325 1.373 0 50 CDAA Cc1nc(N[C@@H]2CC(=O)N(C)C2)nc2c1CCCC2 823754661 CCMWWDXYMMARJX-SNVBAGLBSA-N 260.341 1.306 0 50 CDAA c1csc(CCCc2ncnn2C[C@H]2COCCO2)c1 584898676 WFOBKKJAISAAQG-LBPRGKRZSA-N 293.392 1.930 0 50 CDAA Cc1cccc2ncn(Cc3cnn(C)c3C)c(=O)c12 584885189 MZMFHAKQVJDPIN-UHFFFAOYSA-N 268.320 1.795 0 50 CDAA O=C(CN1CCOCC1)N1CCC2(CCCCCC2)C1 584895103 QZXPCPOZCNGGBN-UHFFFAOYSA-N 280.412 1.892 0 50 CDAA O=C1CN(c2ncnc3[nH]ccc23)CCN1C1CCCCC1 670459494 QPCOFLAPKIGYJE-UHFFFAOYSA-N 299.378 1.939 0 50 CDAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccn2ncnc2c1 1155590551 YDWNYLCYZGAFTD-DZGCQCFKSA-N 294.314 1.117 0 50 CDAA Cc1nnc(NC[C@](C)(O)c2cccc(F)c2)nc1C 1548453308 DRYRRCDXJWATLI-AWEZNQCLSA-N 276.315 1.947 0 50 CDAA O=C(O)COc1cccc(C(=O)NCC2CC=CC2)c1 630236906 XHXOVUVSKYJOLQ-UHFFFAOYSA-N 275.304 1.846 0 50 CDAA CC(=O)NCCCN=c1ccnc(CCc2ccccc2)[nH]1 1875293868 GCWPIIACIFTZFI-UHFFFAOYSA-N 298.390 1.622 0 50 CDAA Cc1ccc2c(ccn2CC(=O)OCc2nn[nH]n2)c1 1875345021 SMXDIMSNOBJDHV-UHFFFAOYSA-N 271.280 1.206 0 50 CDAA CCN(Cc1ccc(F)cc1-c1nn[nH]n1)C[C@@H](C)O 1875331371 XIWNBAUXALPDSJ-SECBINFHSA-N 279.319 1.209 0 50 CDAA CCCNC(=O)CN1CCN(c2cc(Cl)ccn2)CC1 952993786 RECISVIMMFPNFF-UHFFFAOYSA-N 296.802 1.383 0 50 CDAA CNc1ccnc(N2CCN(CCSC)CC2)n1 1506424952 NFQZOLUJRRJUQD-UHFFFAOYSA-N 267.402 1.003 0 50 CDAA C[C@H]1CN(C(=O)c2ccc3ncn(C)c3n2)[C@@H](C)CN1C 888099630 UBTQXODFAFFAND-QWRGUYRKSA-N 287.367 1.133 0 50 CDAA C/C(=C\Cl)CS(=O)(=O)Cc1nnnn1C1CC1 899493742 VZEXPUVTVWPVCY-QPJJXVBHSA-N 276.749 1.065 0 50 CDAA Cn1c(S[C@H]2C=CCCCCC2)nc(=O)c(N)c1N 1775991056 CXYHPPWAZNQJLN-VIFPVBQESA-N 280.397 1.926 0 50 CDAA 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1.669 0 50 CDAA O=C(c1c[nH]nc1-c1ccsc1)N1CC[C@@H](O)C1 187914601 GOUQQIABJDCLHY-SECBINFHSA-N 263.322 1.345 0 50 CDAA Cc1ncn(CC(=O)N(C2CC2)[C@@H](C)C2CC2)c(=O)c1C 188229148 VAIGKSFPPVKXDZ-LBPRGKRZSA-N 289.379 1.650 0 50 CDAA Cc1ccc(F)cc1NC(=O)C(=O)N1CCO[C@H](C)[C@@H]1C 190023549 LOMXGAREOHJOBC-WDEREUQCSA-N 294.326 1.708 0 50 CDAA CCCN(C(=O)c1cnc(C)nc1C)C1CCNCC1 565717121 VLSQYPVLQVERKE-UHFFFAOYSA-N 276.384 1.698 0 50 CDAA Cc1noc(C)c1[C@H](C)CN=c1[nH]c(C(=O)O)co1 568515326 NSLMCYGPMIILGN-ZCFIWIBFSA-N 265.269 1.615 0 50 CDAA COC[C@@H](N[C@H](C)c1nccn1C)C1CCOCC1 658098354 YCSMOQPPJVASBF-DGCLKSJQSA-N 267.373 1.512 0 50 CDAA C[C@H]1CO[C@H](C)CN1C(=O)C[C@@H]1NCc2ccccc21 659261721 CUNFWCOHRGYPQT-ZOWXZIJZSA-N 274.364 1.857 0 50 CDAA O=C1C[C@H](CC(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)CO1 585085974 BWFJWJHUNAVNLI-JZRPKSSGSA-N 263.337 1.444 0 50 CDAA CCCCNC(=O)[C@@H](C)N1CCC[C@@H](n2ccnn2)CC1 585116517 ZKIVYZIHCZBZRK-ZIAGYGMSSA-N 293.415 1.610 0 50 CDAA Cc1ocnc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1529181062 POKNXSJKAIGLJU-OLZOCXBDSA-N 287.319 1.366 0 50 CDAA Cc1nccc(C2CCN(c3n[nH]c(=N)s3)CC2)n1 1857678981 OUUSKCQKDIHJLL-UHFFFAOYSA-N 276.369 1.433 0 50 CDAA NC(=O)/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1 282532 GXRQKLMPKRPWOY-AATRIKPKSA-N 258.199 1.685 0 50 CDAA Cc1noc([C@H]2CN(Cc3ccon3)C[C@@H](C)O2)n1 625909568 XAOKHJGVPLXZRI-LDYMZIIASA-N 264.285 1.328 0 50 CDAA C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)CC[C@@H]1CCCO1 235575800 JEHUANRAPDEVCE-SRVKXCTJSA-N 269.341 1.657 0 50 CDAA CC1=C[C@@H](C)CN(S(=O)(=O)c2cnn(C)c2)C1 334638336 WZKCSXWMRQLEGX-SECBINFHSA-N 255.343 1.007 0 50 CDAA COc1ccncc1NC(=O)c1cc(N(C)C)ccn1 130373297 KUTMLQXLRXNWJG-UHFFFAOYSA-N 272.308 1.804 0 50 CDAA N[C@H]1CN(Cc2nc3c(o2)CCCC3)CC12CCC2 1615058896 RXBYQEZLWKKCQA-ZDUSSCGKSA-N 261.369 1.867 0 50 CDAA C=CC(=O)N1CCC(Oc2ccc(C(=O)O)cc2)CC1 1615056443 XZEPVWSIJWEKSY-UHFFFAOYSA-N 275.304 1.941 0 50 CDAA Cc1cc(-c2nnc3n2Cc2ccccc2OC3)nn1C 1772808664 XKHYOLQUBCYQQL-UHFFFAOYSA-N 281.319 1.928 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)cc1C 1772818959 CREVOZLKPSMXDN-KWCYVHTRSA-N 281.377 1.305 0 50 CDAA Cc1nsnc1C(=O)N(C)[C@@H](C)Cc1cnccn1 1775977038 FNCLITUNEYMYHR-QMMMGPOBSA-N 277.353 1.340 0 50 CDAA OCc1ccc2c(c1)CN(CC[C@H]1COCCO1)CCO2 1775984348 PRBXAUVWAMMKKN-HNNXBMFYSA-N 293.363 1.179 0 50 CDAA O=C1C[C@@H](NCc2c[nH]cn2)CN1C1CCCCCC1 11818866 JMRMAEHRRSNDDH-GFCCVEGCSA-N 276.384 1.823 0 50 CDAA CCCNC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 13943942 RVMYUHZSZZUGCW-LBPRGKRZSA-N 260.337 1.874 0 50 CDAA Cc1cc(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)nn1C 14980990 UTKZWEBPMBNFAK-NSHDSACASA-N 292.383 1.105 0 50 CDAA COC(=O)CC(=O)c1cc(F)c(F)c(F)c1F 166374166 YBEAAGGILKNYSO-UHFFFAOYSA-N 250.147 1.989 0 50 CDAA Cc1cc(CC(=O)N[C@H]2CCCc3c2c(C)nn3C)on1 1857670876 HJEYSDIADPXAPJ-LBPRGKRZSA-N 288.351 1.761 0 50 CDAA O=C(Nc1ccc2c[nH]nc2c1)c1cn2c(n1)CCNCC2 1857718402 IABDVCMPJURVSM-UHFFFAOYSA-N 296.334 1.157 0 50 CDAA COC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 56913 ZNBUXTFASGDVCL-QMMMGPOBSA-N 259.302 1.531 0 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CN(CC(C)(C)CN)C(=O)[C@H]1NCCOc2ccccc21 911868689 RSWACCKBMMPXGY-AWEZNQCLSA-N 291.395 1.153 0 50 CDAA Cc1nc(N)sc1C(=O)NCCCc1c(C)n[nH]c1C 20866567 WAZFGPMYYIWDBF-UHFFFAOYSA-N 293.396 1.736 0 50 CDAA CN1CC[C@@H](n2c(S)nc3ccccc3c2=O)C1=O 120714606 AOXMKESEKIIQOI-SNVBAGLBSA-N 275.333 1.088 0 50 CDAA CCOC(CN1CC(=O)N[C@@H]2CCCC[C@H]21)OCC 230113677 MRBKZPOMDOIKKE-VXGBXAGGSA-N 270.373 1.129 0 50 CDAA CCCN1CCC(NCCCN2CCOCC2)CC1 5310585 UIMZZLOHHOYQFF-UHFFFAOYSA-N 269.433 1.173 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)[C@@H]1Cc2ccccc21 129445320 HPXKGKAIZAHIJJ-WCQYABFASA-N 275.304 1.028 0 50 CDAA CCOc1ccccc1CCC(=O)N1CCN[C@@H](C)C1 155112113 DGUSKQRQTGQQSE-ZDUSSCGKSA-N 276.380 1.838 0 50 CDAA O=S1(=O)CCN(Cc2cc(-c3ccccc3)on2)CC1 285004932 LSBCGEMOXPVQBC-UHFFFAOYSA-N 292.360 1.572 0 50 CDAA CCN(Cc1csc(NC)n1)Cc1nc(C)no1 299795253 MDZNAIFHYDSRHP-UHFFFAOYSA-N 267.358 1.898 0 50 CDAA CC[C@H]1CN(c2cccc(C(=O)O)n2)[C@@H](C)CO1 403941515 NBJYQPMLLOGEBV-UWVGGRQHSA-N 250.298 1.784 0 50 CDAA C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cncn1C 630185186 LHKSPAAWMTYFAC-LLVKDONJSA-N 287.319 1.536 0 50 CDAA CN=c1ccc(C(=O)N2CCCC[C@H](COC)C2)c[nH]1 376090061 AMEZBEZPYKVDIY-LBPRGKRZSA-N 277.368 1.434 0 50 CDAA Cc1cc(F)ccc1C(=O)NC1(CC(=O)O)CC1 398253367 BFSZXWVNBWIPIF-UHFFFAOYSA-N 251.257 1.871 0 50 CDAA Cc1ccc(NC(=O)CN2C(=O)OC(C)(C)[C@]2(C)O)cc1 117960 YWBCDHJFBSXGCI-HNNXBMFYSA-N 292.335 1.873 0 50 CDAA NC(=O)c1cc(N2C(=O)CCC2=O)ccc1Cl 458545 OTRUBGRMOYANGW-UHFFFAOYSA-N 252.657 1.092 0 50 CDAA O=C(CS(=O)(=O)c1ccccc1)NC1CCCCC1 1076822 DFRIEOSUVLCNBP-UHFFFAOYSA-N 281.377 1.909 0 50 CDAA Cc1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1C 2357741 QDMXGISAMNPLEL-GFCCVEGCSA-N 278.377 1.864 0 50 CDAA O=C1OC[C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@@H]12 2356141768 OXBSRXMFVWMENB-VXGBXAGGSA-N 275.304 1.063 0 50 CDAA CCCCOC(=O)c1c(N)sc(C(N)=O)c1C 2558523 JRHMRENZEMHOFM-UHFFFAOYSA-N 256.327 1.695 0 50 CDAA CN(C(=O)N[C@H]1CCS(=O)(=O)C1)C1CCCCC1 4305108 YGYPDMWQAVBSOL-JTQLQIEISA-N 274.386 1.148 0 50 CDAA COc1ccc(-c2nn(CCC(=O)O)cc2C=O)cc1 4890787 GALWJLPRTIKQGF-UHFFFAOYSA-N 274.276 1.846 0 50 CDAA O=c1cc(O)nc(SCc2ccc(F)cc2)[nH]1 10059418 KWOCPOUQUPSUPR-UHFFFAOYSA-N 252.270 1.907 0 50 CDAA C[C@]1(CCc2ccccc2)OC(=O)N(N)[C@]1(C)O 1427165 CPVWJABRMNRBPI-CHWSQXEVSA-N 250.298 1.412 0 50 CDAA CC(C)CNC(=O)c1c(O)c2ccccc2n(C)c1=O 100562554 FFAZZPOBMWYJAH-UHFFFAOYSA-N 274.320 1.630 0 50 CDAA C[C@@]12C(=O)N(Cc3ccco3)C(=O)[C@H]1[C@H]1C=C[C@H]2C1 100082750 BXBMEGFRLZFBNS-JOXOIDLHSA-N 257.289 1.977 0 50 CDAA Cc1nc(C)n(C[C@@H]2CN(C[C@H]3CCCCO3)CCO2)n1 248000175 BTFPLHQQZHZCEI-CABCVRRESA-N 294.399 1.165 0 50 CDAA Cc1ccccc1CCNC(=O)CN1C[C@@H](F)C[C@H]1CO 346385750 XGAKIEGLHUEMSM-GJZGRUSLSA-N 294.370 1.058 0 50 CDAA CC1(C)N([O])C(c2ccc(C(=O)O)cc2)=[N+]([O-])C1(C)C 100175834 KWNDLWPKCDMGTN-UHFFFAOYSA-N 277.300 1.860 0 50 CDAA in-vitro O=C(O)[C@@H]1[C@@H](C(=O)NCc2cccs2)[C@H]2C=C[C@H]1C2 100001583 QFQGWRWEAGNSDM-QSFUFRPTSA-N 277.345 1.887 0 50 CDAA O=C(COc1cccc(Cl)c1)N1C[C@@H](F)C[C@H]1CO 347381971 AXRZBNGTYQZUDG-QWRGUYRKSA-N 287.718 1.650 0 50 CDAA FC(F)(F)c1cc(CN2CC[C@@]23CCOC3)[nH]n1 421409031 ZPCDRSUUEMDEFA-JTQLQIEISA-N 261.247 1.793 0 50 CDAA COc1ccc(C(=O)CCC(=O)NC[C@@H]2CCOC2)cc1 61430350 JSTZLFCEFBNIOT-LBPRGKRZSA-N 291.347 1.811 0 50 CDAA COc1cc(C)c(CN2CCN(C)[C@@H](CCO)C2)cc1C 23374762 DJLXKNRCDIQDCZ-INIZCTEOSA-N 292.423 1.810 0 50 CDAA N[C@@H](Cc1ccc(Oc2cccnc2)cc1)C(=O)O 39927943 WTDHHFOOKRZHAF-ZDUSSCGKSA-N 258.277 1.828 0 50 CDAA CCc1ccc(N([C@@H](C)C(=O)O)S(C)(=O)=O)cc1 20130790 RSXCSSQWKDLMMF-VIFPVBQESA-N 271.338 1.488 0 50 CDAA CC(C)[C@@](C)(CC(=O)O)NC(=O)c1ccnn1C 262836175 CQXJXQDHLKGHFR-GFCCVEGCSA-N 253.302 1.039 0 50 CDAA C[C@H](C(=O)N(C)C)N(C)Cc1ccnn1-c1ccccc1 67757742 FTVXPVDXMFAPMJ-CYBMUJFWSA-N 286.379 1.781 0 50 CDAA CCCOCCn1cnc2sc3c(c2c1=O)CCNC3 65465559 ARVVWIIQFMVCOO-UHFFFAOYSA-N 293.392 1.530 0 50 CDAA CCOC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@H]1C 252444036 UEBNIPKUSCBJIQ-MNOVXSKESA-N 295.383 1.379 0 50 CDAA Cc1cccc(C(=O)N(C)C[C@@H]2CCn3ccnc3C2)n1 328616862 CEJXYKBPTXSBAB-CYBMUJFWSA-N 284.363 1.921 0 50 CDAA Cn1nccc1CCNC(=O)Nc1ccc(F)cn1 123008462 ATQXNMWPOAEQAL-UHFFFAOYSA-N 263.276 1.318 0 50 CDAA O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cnc2ccccc2c1 67934546 CTFKIVPOAGNKPS-GFCCVEGCSA-N 288.328 1.275 0 50 CDAA C[C@](NC(=O)Cc1ccncc1)(C(N)=O)c1ccccc1 355147064 XVFXGMOHIHQZLL-MRXNPFEDSA-N 283.331 1.141 0 50 CDAA Cc1nnnn1-c1cc(NC(=O)N(C)C(C)C)ccc1F 129029916 LISJJZRRRVDZBX-UHFFFAOYSA-N 292.318 1.982 0 50 CDAA Cc1nnc(C(=O)N2CCOC[C@H](C3CCC3)C2)s1 330257832 LWIIVYLXCAXZHT-LLVKDONJSA-N 281.381 1.735 0 50 CDAA Cc1c(NC(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cnn1CC(C)C 333190742 SBUCSSBMONHOTO-PJXYFTJBSA-N 277.372 1.187 0 50 CDAA Cc1c(NC(=O)N[C@H]2c3ccccc3O[C@@H]2C)nnn1C 333361290 LCOCCLBDUCKFEL-BXKDBHETSA-N 287.323 1.767 0 50 CDAA FC(F)(F)[C@H]1CN(c2nnnn2-c2ccccc2)CCO1 71764682 MYUZXFNDTLRUEI-SNVBAGLBSA-N 299.256 1.430 0 50 CDAA C[C@@H]1CN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CCN1 155102385 ZMZFMPKMHBFPGQ-BTKRWWFXSA-N 296.374 1.706 0 50 CDAA CC1(C)C[C@@H](NC(=O)c2cncc(F)c2)CCO1 154290430 PMYPAQRLERCEAA-NSHDSACASA-N 252.289 1.908 0 50 CDAA CC(C)CN1CCN(Cc2cncn2C)[C@@H](C)C1=O 215040734 LUIZJEJBDRUSQM-LBPRGKRZSA-N 264.373 1.109 0 50 CDAA O=C(/C=C/c1ccc[nH]1)N1CC(F)(F)C[C@H]1CO 364839990 OTWQLGUECZACAU-FSIBCCDJSA-N 256.252 1.256 0 50 CDAA Cc1nc(NCCNC(=O)c2ccccc2)cc(N(C)C)n1 36708043 IFOLJCKTQDABOG-UHFFFAOYSA-N 299.378 1.693 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 238087386 PBCXDGLFPLXSJF-ZDUSSCGKSA-N 299.330 1.348 0 50 CDAA CNC(=O)c1cccnc1N1CC[C@H](O)CC(C)(C)C1 450857673 RMDVXYFHOQFHFQ-NSHDSACASA-N 277.368 1.429 0 50 CDAA CC(C)N1C(=O)C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1=O 176239352 RLEKUVRDINMMHM-SECBINFHSA-N 280.368 1.321 0 50 CDAA CN[C@@H]1CCCN([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 261848360 XRWSQCIAKBIFRY-QWHCGFSZSA-N 293.415 1.048 0 50 CDAA C[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2)[C@H]1CN 156972487 LEGIVNPTWOVCII-HOCLYGCPSA-N 289.423 1.704 0 50 CDAA CCO[C@@H](C(=O)N1CCO[C@@H](C(=O)O)C1)c1ccccc1 262199768 ZVEIQZNFPCXGBT-CHWSQXEVSA-N 293.319 1.076 0 50 CDAA Cc1cnccc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 373549871 UDDGZVSFONEMGG-OAHLLOKOSA-N 288.395 1.309 0 50 CDAA CCn1ccc(C(=O)N(C)Cc2ccc3nonc3c2)n1 215402791 VNDGWCCEENQGPC-UHFFFAOYSA-N 285.307 1.711 0 50 CDAA O[C@@H](COCc1ccccc1Cl)CN1CCCOCC1 374026307 DOBQBKZDGCGJTD-CQSZACIVSA-N 299.798 1.940 0 50 CDAA NC[C@@H]1CCCCN1C(=O)c1cccc2c1OCO2 131094242 LDIZZHVTPZIQSU-JTQLQIEISA-N 262.309 1.369 0 50 CDAA C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N(C)C1CC1 240333657 FEQSNETXIMENLX-YXCITZCRSA-N 295.427 1.582 0 50 CDAA Cc1nc([C@H](C)N(C)C(=O)c2c[nH]c(=O)cn2)c(C)s1 77471044 DACOPKUTEPZOAI-ZETCQYMHSA-N 292.364 1.676 0 50 CDAA C[C@H]1CCSCCN1C[C@@H](O)COC(C)(C)C 241644156 POSIQBPLJALLAP-NWDGAFQWSA-N 261.431 1.990 0 50 CDAA Cc1cnc(C(=O)N2CCOC[C@H]2c2cccn2C)cn1 377243424 JJPVONISUXPFFW-AWEZNQCLSA-N 286.335 1.337 0 50 CDAA O=C(N[C@@H]1CCOC1)c1ccc(N2CCCC2)cc1 215227620 FPXMFIXEJWFFDZ-CYBMUJFWSA-N 260.337 1.806 0 50 CDAA C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NC[C@@H](C)[S@](C)=O 242324473 ZBPSOYDPUNBFPC-UTOCCYJDSA-N 274.430 1.131 0 50 CDAA Cn1ncnc1CCNC(=O)C[C@@H]1C[C@@H]2C=C[C@H]1C2 219935047 DMAYDAGUCVSLAG-WOPDTQHZSA-N 260.341 1.076 0 50 CDAA COC[C@@H]1CN(c2ncc(F)cn2)CC(C)(C)O1 284992746 LMYLRDYERZQRKY-JTQLQIEISA-N 255.293 1.246 0 50 CDAA O=c1c2nnc3ccnn3c2ccn1CCc1ccccc1 40388037 MHHIQDIUFNNUSU-UHFFFAOYSA-N 291.314 1.682 0 50 CDAA O=C(c1cn[nH]c1)N1CCC[C@H](OCc2cccnc2)C1 215156437 AHONHCHVFKRLNO-AWEZNQCLSA-N 286.335 1.626 0 50 CDAA Cc1cc(C(=O)N[C@H](CO)CC(C)C)ccc1O 227042181 UFKVLERDJNSZER-LBPRGKRZSA-N 251.326 1.837 0 50 CDAA CCC1=NO[C@H](C(=O)NCc2cn3nc(C)sc3n2)C1 220607052 HBQBURXOCWXEMT-JTQLQIEISA-N 293.352 1.270 0 50 CDAA CC(C)Nc1ncccc1C(=O)N(C)[C@@H]1CCNC1 179062578 PPABRBQKSRIZPM-LLVKDONJSA-N 262.357 1.336 0 50 CDAA Cc1cc(CC(=O)N[C@H](CC(=O)O)CC(C)C)on1 223747554 FVUJHRSYPIWTLS-JTQLQIEISA-N 268.313 1.531 0 50 CDAA Nc1nc(NCC2CCOCC2)cc(C2CC(N)C2)n1 222623411 UUCXRQKOOAWICR-UHFFFAOYSA-N 277.372 1.102 0 50 CDAA CCC[C@@H](CC(=O)O)NC(=O)CCc1ccnn1C 426726754 KHBKJNPSXKBWDP-JTQLQIEISA-N 267.329 1.112 0 50 CDAA COCc1noc(CNC(=O)c2ccc(F)c(OC)c2)n1 220433066 NBBHVNNOWVMVOI-UHFFFAOYSA-N 295.270 1.294 0 50 CDAA O=C(c1cnc[nH]1)N1CCC[C@H]1c1nc(C2CC2)no1 221390147 QTDZYBSCIXFMEL-JTQLQIEISA-N 273.296 1.647 0 50 CDAA Cc1nnc(CCNC(=O)C(C)(C)N2CCCC2)s1 426370278 DUFVWMBMANJIOW-UHFFFAOYSA-N 282.413 1.380 0 50 CDAA CC(=O)Nc1ccc(NC(=O)CN2C[C@H](C)[C@H]2C)cc1 293350375 HQUOVVAYHVGRAX-WDEREUQCSA-N 275.352 1.924 0 50 CDAA CC[C@H](NC(=O)CN1CCCN(C)CC1)c1nccs1 230577476 YOAGDEWBHSZMDW-LBPRGKRZSA-N 296.440 1.348 0 50 CDAA Cc1cnc(CN(C)Cc2nncn2C(C)C)cn1 429286861 KLGCWGFDTNMKST-UHFFFAOYSA-N 260.345 1.589 0 50 CDAA CC1(C)[C@H](NC(=O)c2nccn3ccnc23)[C@@H]2CCO[C@H]21 230154593 GCWIMPNENWLJEJ-MVWJERBFSA-N 286.335 1.273 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCCO[C@H](C(C)C)C1 294501970 RIPIYKXQRNGUOD-AWEZNQCLSA-N 279.384 1.843 0 50 CDAA CCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)NC)C2)cc1 335141673 MNCQVXFSKCFBAH-LBPRGKRZSA-N 296.392 1.006 0 50 CDAA CCS(=O)(=O)CCNC(=O)c1ccc2ncsc2c1 97527899 TWKJWYFAJLCYBR-UHFFFAOYSA-N 298.389 1.461 0 50 CDAA CCCc1cc(=O)n2nc(N3CC[C@H](OC)C3)sc2n1 267653284 MHZVXQIKMKUKQK-JTQLQIEISA-N 294.380 1.329 0 50 CDAA CN(CCC(=O)O)C(=O)c1cc(O)ccc1Cl 234288524 LGHRZXVRZNEOQG-UHFFFAOYSA-N 257.673 1.592 0 50 CDAA N[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@@H]1C1CC1 91616938 PGJYKFJGFLFXDL-CVEARBPZSA-N 296.374 1.682 0 50 CDAA CCCN(CCO)C(=O)[C@H](c1ccccc1F)N(C)C 95380370 UHSYLTVJLXNWNO-AWEZNQCLSA-N 282.359 1.659 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](C(=O)O)C3)c2c1 237863478 KGADMRYIGYNRGN-SNVBAGLBSA-N 287.319 1.808 0 50 CDAA C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(C(=O)O)cc1 268961784 ZHJDUDOIYYRNQA-GXFFZTMASA-N 293.319 1.309 0 50 CDAA CSCCC(=O)N[C@@H](C)Cn1nc(C)cc1C 252482310 DCTWRHLEZAKCPW-JTQLQIEISA-N 255.387 1.758 0 50 CDAA Cc1cccnc1C(=O)NCc1noc([C@H]2CCCO2)n1 534646532 PEJFMDOKDMGWDG-SNVBAGLBSA-N 288.307 1.555 0 50 CDAA COc1cc(C)ccc1C(=O)N[C@H](C)c1nncn1C 547705440 DTGYJEKCNUDCKL-SNVBAGLBSA-N 274.324 1.623 0 50 CDAA COCC1(CNS(=O)(=O)c2cccnc2)CCC1 281849063 BBZCPMWJAGUTMQ-UHFFFAOYSA-N 270.354 1.177 0 50 CDAA O=C(NCCn1cncn1)c1cccc2ncsc12 1940197291 FYDMALNGKUKCOA-UHFFFAOYSA-N 273.321 1.318 0 50 CDAA CCC[C@@H](CNS(=O)(=O)CC1CCCC1)N(C)C 822790893 CAWYAVPJARSSMU-ZDUSSCGKSA-N 276.446 1.826 0 50 CDAA CC[C@H](Nc1ccc(C(=O)N(C)C)cn1)[C@H]1C[C@@H](O)C1 822651025 AMSDBZXKCUHBCP-XQQFMLRXSA-N 277.368 1.745 0 50 CDAA CC1(c2n[nH]c(COc3cccc(F)c3)n2)COC1 826620214 APPUPGRXWGZJLG-UHFFFAOYSA-N 263.272 1.811 0 50 CDAA Cc1nncn1CCN(C)C[C@@H]1CCCN(C(C)C)C1 823688776 RCVBLHQWWRRRNS-HNNXBMFYSA-N 279.432 1.639 0 50 CDAA Cc1nc(CN(C)C[C@H]2CCCCN2C)n(C)c1C 584891859 WKCDJQUETCEADX-CQSZACIVSA-N 264.417 1.953 0 50 CDAA CCOc1cccnc1C(=O)N1CCC[C@@H](C(=O)O)C1 165368014 QSMLAXYFNNLWER-SNVBAGLBSA-N 278.308 1.417 0 50 CDAA CCS(=O)(=O)NCc1csc(-c2cnccn2)n1 670434338 BZMDFQGPZBAAJB-UHFFFAOYSA-N 284.366 1.039 0 50 CDAA Cc1ccc(OC2CN(CCS(C)(=O)=O)C2)cc1 670437031 GZDPUGUBTJMMQQ-UHFFFAOYSA-N 269.366 1.103 0 50 CDAA C[C@H]1CN(C)CCN1C(=O)[C@H]1CSc2ccccc2O1 685939464 QPVGYELUXXXJJI-WCQYABFASA-N 292.404 1.702 0 50 CDAA Cc1nn[nH]c1C(=O)N1CCN(C)C[C@H]1Cc1ccccc1 846510310 IIYOEGFYOOHZOF-CQSZACIVSA-N 299.378 1.112 0 50 CDAA Cc1nnc(NC(=O)NC[C@H]2CCO[C@H](C)C2)s1 271269234 NDSBDOVUARKRSH-APPZFPTMSA-N 270.358 1.783 0 50 CDAA Cc1ccc2oc(N3C[C@H](n4ccnn4)[C@H](N)C3)nc2c1 952852629 JBZVGZUUPQFIMK-PWSUYJOCSA-N 284.323 1.116 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)Nc1ncc(C2(O)COC2)s1 1875295883 TZZKNERLGDASTG-BDAKNGLRSA-N 298.364 1.115 0 50 CDAA COc1ccc(-c2n[nH]c(S(=O)(=O)CC(C)C)n2)cc1 1875281361 MLJOCQJXHFRFII-UHFFFAOYSA-N 295.364 1.910 0 50 CDAA C=CC(=O)NCc1ccccc1S(=O)(=O)N1CCCC1 1875366566 XVRCHPROJJMHLL-UHFFFAOYSA-N 294.376 1.273 0 50 CDAA NC(=O)c1cc(-c2cccc3cc[nH]c23)cnc1N 1875361796 CBMPUOJSPLXNLC-UHFFFAOYSA-N 252.277 1.911 0 50 CDAA C[C@H](Oc1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1)C(N)=O 1875381052 IQJMVRRWEXWHCG-FNFWKMNBSA-N 290.363 1.412 0 50 CDAA CC1(C)C(=O)CCN1C(=O)c1cc(O)nc(C2CC2)n1 1875312580 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1361681606 OKFAIYCFASQYHS-UHFFFAOYSA-N 279.340 1.569 0 50 CDAA Cc1ccc([C@H]2CN(C[C@@H]3[C@H]4CNC[C@H]43)C[C@@H]2N(C)C)cc1 1565513417 XTSYXNFJWKVXQO-LFDJNIOPSA-N 299.462 1.790 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1cc(C)oc1C 1565510686 PLUPAVMJNNJDDC-RYUDHWBXSA-N 253.298 1.430 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N2CCc3ccccc3[C@@H]2CO)O1 185677097 RQRNQPDNPXAWCE-UGFHNGPFSA-N 275.348 1.672 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccoc2)cn1 275362569 JQTNWBPRBXKMJJ-QWHCGFSZSA-N 275.308 1.663 0 50 CDAA CN(C)C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 585114072 VHLMNOHZYARTFB-NSHDSACASA-N 298.383 1.491 0 50 CDAA CC[C@@H](C)N1CC(=O)N([C@@H]2CCCn3nccc32)C1=O 630999328 WHEVMHZKMSPRHA-ZYHUDNBSSA-N 276.340 1.781 0 50 CDAA Cn1cc(CNC(=O)C2Cc3ccccc3C2)cn1 277292613 UOVRGCCMTMHHIS-UHFFFAOYSA-N 255.321 1.451 0 50 CDAA O=C(N[C@@]1(CCO)CCOC1)c1ccc(Cl)cc1 278191976 UJWINYGFDZQFMG-ZDUSSCGKSA-N 269.728 1.611 0 50 CDAA C[C@H](CCn1cccn1)Nc1cccc(S(N)(=O)=O)c1 170612404 GAMFMVRLJJWPII-LLVKDONJSA-N 294.380 1.421 0 50 CDAA CCC[C@@H](NC(=O)c1ccnc(Cl)c1)c1nnn[nH]1 170656067 PPYGAHLOPGNDBB-MRVPVSSYSA-N 280.719 1.519 0 50 CDAA Nc1ccnc(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 281234628 COEYTDZOFVJRIS-XQQFMLRXSA-N 276.384 1.574 0 50 CDAA C(=C/c1ccccc1)\CN1CCN([C@@H]2CCNC2)CC1 97425406 ZQSVRSZNVMQQQU-BBOMDTFKSA-N 271.408 1.679 0 50 CDAA COc1nccnc1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643772767 SWKNFAIIHSHBOX-PWSUYJOCSA-N 289.339 1.170 0 50 CDAA CCc1ccccc1CN1CCC[C@@]1(COC)C(N)=O 643822951 GPSKORCBSKFVKU-MRXNPFEDSA-N 276.380 1.715 0 50 CDAA Cn1cncc1CC(=O)NCCc1ccc2c(c1)CCO2 225388386 RJLOCZZTIMPZGP-UHFFFAOYSA-N 285.347 1.256 0 50 CDAA Cc1csc(C(=O)O[C@H](C)C(N)=O)c1Br 225411665 CBZIUNQVNXCPKM-RXMQYKEDSA-N 292.154 1.850 0 50 CDAA O=C(c1cc2ccccn2c1)N1CCOC[C@@]12CCOC2 194374887 FHNCPYISOMZVRW-INIZCTEOSA-N 286.331 1.571 0 50 CDAA CN(C)C(=O)c1ccccc1NC(=O)c1ccon1 747150355 POMYQHVYDMWMJY-UHFFFAOYSA-N 259.265 1.629 0 50 CDAA CCCCNC(=O)c1cccc(CS(N)(=O)=O)c1 195201788 WYQCLYRPRLWKDL-UHFFFAOYSA-N 270.354 1.005 0 50 CDAA C[C@@H]1CCCN(C(=O)c2cccc(Cl)n2)[C@H]1CN 195542972 AHUBNEOOOWNICW-KOLCDFICSA-N 267.760 1.934 0 50 CDAA CO[C@@](C)(C(=O)O)C(=O)Nc1cc(C)cc(F)c1 663039624 LCRRHMWYVCGCEA-GFCCVEGCSA-N 255.245 1.562 0 50 CDAA CN1CCO[C@@H](CNCc2cc[nH]n2)[C@@H]1c1ccccc1 583616616 SUSYURWYBHRDKF-HOTGVXAUSA-N 286.379 1.571 0 50 CDAA CN(CCS(C)(=O)=O)Cc1nc2ccc(F)cc2[nH]1 1529109585 GBLQKBWYHCHOGT-UHFFFAOYSA-N 285.344 1.178 0 50 CDAA CCCn1nnnc1NC(=O)c1cc(C)cc(C)c1 512856 JUYAEFJVWRIVIT-UHFFFAOYSA-N 259.313 1.952 0 50 CDAA COc1ccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)o1 222530004 ILEGULNHDJPRTE-ZJUUUORDSA-N 279.292 1.471 0 50 CDAA CCc1cnc(C)nc1N[C@@H](Cc1cnc[nH]1)C(=O)O 1704307569 AJRJMBDWQVWZHY-NSHDSACASA-N 275.312 1.178 0 50 CDAA N=c1[nH]nc(N2CCN[C@H](c3ccccc3)C2)s1 1857708484 WTCIWXRSRQMKEI-JTQLQIEISA-N 261.354 1.102 0 50 CDAA CNC(=O)[C@@H]1CCN(Cc2ncc(C(F)(F)F)s2)C1 421392731 RKNDUXQCKKBGKY-SSDOTTSWSA-N 293.314 1.730 0 50 CDAA CCN(C)C(=O)N1CCN(Cc2cscn2)CC1 334328298 MSHGQCXCKXFVQS-UHFFFAOYSA-N 268.386 1.332 0 50 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1.790 0 50 CDAA CN(C)c1ccnc(CNC(=O)[C@H]2C[C@H]3C[C@@H](N)[C@H]3C2)c1 1857527221 KLWOFPMLPPYFOR-LWWSYDQCSA-N 288.395 1.137 0 50 CDAA Cc1c[nH]nc1CN1Cc2ccccc2C[C@@H]1C(N)=O 225418634 NOISZHPNPJCFIV-CQSZACIVSA-N 270.336 1.130 0 50 CDAA O=C(c1cc[nH]n1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 225528572 IUGDMTIHFFQWSG-NOZJJQNGSA-N 293.273 1.636 0 50 CDAA CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc[nH]n1 113073860 NQAJLBMSLPUALG-GXSJLCMTSA-N 296.396 1.086 0 50 CDAA CC(=O)N[C@@H]1CCN(C(=O)c2nc3ccccc3s2)C1 631437463 YBCJGNBDFVGZMF-SNVBAGLBSA-N 289.360 1.647 0 50 CDAA O=C(Nc1cccn(CC(F)(F)F)c1=O)NC1CC1 126421721 GCLYZEMHMUBPPP-UHFFFAOYSA-N 275.230 1.695 0 50 CDAA O=C1CCCC[C@H](C(=O)N2CC[C@@H]2Cc2ccccc2)N1 336318372 FVFFAXZWZRUUHF-HUUCEWRRSA-N 286.375 1.889 0 50 CDAA C[C@@H]1COCCN(Cc2c[nH]nc2-c2cccnc2)C1 370051891 DZHTVQLKLCBZJN-LBPRGKRZSA-N 272.352 1.940 0 50 CDAA NC(=O)[C@@H]1CCN(C[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 585140650 HXAPIPIDIYPYEL-MBNYWOFBSA-N 262.328 1.736 0 50 CDAA COC(=O)C[C@H](NC(=O)c1cccn1C)c1ccncc1 584908836 BUXOJFCVKGAZOY-LBPRGKRZSA-N 287.319 1.454 0 50 CDAA CC[C@@](CNC(=O)[C@@H]1CCCO1)(C(=O)O)c1ccccc1 263003152 MZXRUUYKSTUVOJ-BBRMVZONSA-N 291.347 1.714 0 50 CDAA CC1(C)CNCCN1C(=O)c1cc2cccn2cn1 911848416 VEEXBZHWEBFUJS-UHFFFAOYSA-N 258.325 1.158 0 50 CDAA C[C@@H]1OCCO[C@@H]1C(=O)Nc1cn(C)nc1-c1ccco1 827239162 LJBLCKYPVVWMPW-ZANVPECISA-N 291.307 1.423 0 50 CDAA CC1(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 1260446555 NXKSMYHTNHTYHW-UHFFFAOYSA-N 279.317 1.624 0 50 CDAA O=C(CN1CCC(c2ncco2)CC1)NC[C@H]1CCCO1 931450659 HQLVFNATDPNBRZ-CYBMUJFWSA-N 293.367 1.149 0 50 CDAA O=C(NCCc1ccc[nH]1)c1cc(C(F)F)ncn1 935153360 ZCCSVTPVMOZQDE-UHFFFAOYSA-N 266.251 1.715 0 50 CDAA Cc1cc(C)n(C[C@@H](O)COCc2ccco2)n1 380990 KGAVXNVAZPQKGX-GFCCVEGCSA-N 250.298 1.671 0 50 CDAA CC(C)[C@H](O)CCNC(=O)c1c(O)cccc1F 225400288 XGZUSOWSSHJNEH-SNVBAGLBSA-N 255.289 1.668 0 50 CDAA OC1(CNCc2cccc3c2OCO3)CCOCC1 112717283 ZIWKWGCPGPBURO-UHFFFAOYSA-N 265.309 1.046 0 50 CDAA CS[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 237416273 VSPYBYVUHQNLHU-SKDRFNHKSA-N 279.361 1.776 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)[C@H]1CN 237715325 ROKNHPTWVGDERT-AAEUAGOBSA-N 276.384 1.347 0 50 CDAA c1cnn(-c2cc(NCC[C@@H]3CCCOC3)ncn2)c1 534642902 MGZUNFKNZNRCRH-LBPRGKRZSA-N 273.340 1.891 0 50 CDAA Cc1cnc(Nc2ccc3nn(C)nc3c2)nc1N(C)C 2100477582 BVDIDAJPEICGRZ-UHFFFAOYSA-N 283.339 1.876 0 50 CDAA NC(=O)[C@@H](OC(=O)c1cn2ccccc2n1)c1ccccc1 821698005 BGFGVQRVOUTVOD-AWEZNQCLSA-N 295.298 1.718 0 50 CDAA CCC1=NO[C@H](CNC(=O)c2n[nH]cc2-c2ccncc2)C1 2325797957 BPCQJUXRTMEZFC-LBPRGKRZSA-N 299.334 1.756 0 50 CDAA Cc1[nH][nH]c2ncnc(=NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)c1-2 2325805044 LAGGERDHVIVDSY-RTNZKYQASA-N 299.378 1.386 0 50 CDAA C[C@@H](NC(=O)c1c[nH]nc1F)c1ccc(C(=O)O)cc1 2325870734 MQHKCRDGOMBCCL-SSDOTTSWSA-N 277.255 1.738 0 50 CDAA O=c1nc2n(c3cc(Cl)ccc13)C[C@@H]1COCCN21 2325879761 GYAOLUGYRMTLEG-SECBINFHSA-N 277.711 1.269 0 50 CDAA O=C(c1nccc2occc12)N1CC[C@@](F)(C(=O)O)C1 909311685 IJENSLVRFYSUTF-ZDUSSCGKSA-N 278.239 1.467 0 50 CDAA Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC[C@H](N)C1 132219990 MTQHVIVORYVIAA-LBPRGKRZSA-N 287.367 1.494 0 50 CDAA COc1ccc(C2(CNCC(N)=O)CCCC2)cc1OC 174641 GPRYDLWCWIFYLS-UHFFFAOYSA-N 292.379 1.591 0 50 CDAA biogenic Cc1cc(C)nc(N2CCN(c3nc(C)cc(C)n3)CC2)n1 181753 UXTHGKBXHLKAMP-UHFFFAOYSA-N 298.394 1.827 0 50 CDAA Cc1ccc(S(=O)(=O)Nc2nonc2C)cc1 266422 DYAQNEUWGWJGEF-UHFFFAOYSA-N 253.283 1.487 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnnn1C 417342 YTSXONLDNIZQBD-SECBINFHSA-N 289.364 1.280 0 50 CDAA CC1(C)NC(=O)N(CCOc2ccc3c(c2)CCC3)C1=O 613999 DLDRHZQIGQIMBV-UHFFFAOYSA-N 288.347 1.885 0 50 CDAA O=C(c1cc(-c2ccc(O)cc2)on1)N1CCOCC1 3907758 LHDNQFUFKVNMGQ-UHFFFAOYSA-N 274.276 1.520 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc(C)n1 247983386 YESNXVJKPXCWRR-HUUCEWRRSA-N 288.395 1.874 0 50 CDAA C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H]1C[C@H]2CC[C@H]1C2 248849839 DVHZLLGYVNNNHJ-UHFZAUJKSA-N 273.398 1.360 0 50 CDAA C[C@H](C(=O)N(C)C)N(C)Cc1ccc(-c2cc[nH]n2)o1 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CC[C@H](C(=O)NCC1(N(C)C)CCOCC1)n1cccn1 252500831 TWECCLUHNDXJJQ-CYBMUJFWSA-N 294.399 1.061 0 50 CDAA CO[C@H]1CCN(S(=O)(=O)c2cc(C)sc2C)C1 267828784 ZKFNWTDUOHDOAP-JTQLQIEISA-N 275.395 1.774 0 50 CDAA CCCc1nc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)cs1 534650029 RMTLDMNFCNGCRC-NXEZZACHSA-N 293.392 1.646 0 50 CDAA O=C1C[C@@H](C(=O)O)Cc2nc(NC(=O)C3CC3)sc21 299776818 HIEBMVDPONXCSG-LURJTMIESA-N 280.305 1.321 0 50 CDAA CCc1ocnc1C(=O)NCc1noc(C(C)C)n1 823571879 VWCROMHQWVFYKV-UHFFFAOYSA-N 264.285 1.673 0 50 CDAA O=C(CCN1CCCCCC1=O)NC[C@H]1CCCOC1 827819896 CKNLBJJHONVXKU-CYBMUJFWSA-N 282.384 1.322 0 50 CDAA COC(=O)N1CCCC[C@H]1c1ncnn1CC(C)(C)O 824155875 BXHVTKNFPXMFQN-JTQLQIEISA-N 282.344 1.342 0 50 CDAA Cc1ccc([C@H](C)NC(=O)c2c(C)ncn2C)cn1 584898025 FJMBXARMOOOXBC-JTQLQIEISA-N 258.325 1.923 0 50 CDAA Cc1cc(CN[C@@H](C)CS(C)(=O)=O)cnc1C 584903856 MCFABEOCCZNMLV-JTQLQIEISA-N 256.371 1.221 0 50 CDAA Cc1cc(CNC(=O)[C@H](C)CN2CCOCC2)cnc1C 670456087 ZOISPLOVRAJCSQ-CYBMUJFWSA-N 291.395 1.283 0 50 CDAA COc1ccc(CN2CC[C@@H](C(C)(C)O)C2)cc1C(=O)O 670439941 KTUPUSKJJUKAMC-GFCCVEGCSA-N 293.363 1.986 0 50 CDAA COc1cc(C(=O)N[C@@H](C)c2nnc(N)s2)ccn1 670458262 IBNFRYAUTNYTNS-LURJTMIESA-N 279.325 1.015 0 50 CDAA Cc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)ccn1C 670458836 XULQZTMYYAUHSH-UHFFFAOYSA-N 273.340 1.471 0 50 CDAA CC1(F)CCN(C(=O)NC2CC3(C2)C[C@H]3N)CC1 1551575423 MQZJJQBVBDNSOM-RUETXSTFSA-N 255.337 1.400 0 50 CDAA Cc1ccccc1CNCCN1CCC2(C1)OCCO2 952848822 KFSJUXXEGFUPMX-UHFFFAOYSA-N 276.380 1.533 0 50 CDAA COC(=O)c1ccc2nc(NC(=O)C3CC3)[nH]c2c1 1875298042 MWEDFNBZAQVFKM-UHFFFAOYSA-N 259.265 1.698 0 50 CDAA CCc1n[nH]c(=NCc2cc(C)nc(N3CCCC3)c2)o1 1875266999 LKJWNRWJVOQNOM-UHFFFAOYSA-N 287.367 1.970 0 50 CDAA O=C(N=c1cc(-c2ccsc2)[nH][nH]1)c1ccnc(O)c1 1875263447 QDWWIKMDDOAKJV-UHFFFAOYSA-N 286.316 1.913 0 50 CDAA C=CC(=O)N1CCC(C(=O)N(CC)CCC)CC1 1875370361 MAHSEKCRORLJLP-UHFFFAOYSA-N 252.358 1.670 0 50 CDAA Cn1cc2cc(-c3cnc(C4(N)CC4)nc3)ccc2n1 1875302281 ISDNFPVJJBOXQZ-UHFFFAOYSA-N 265.320 1.978 0 50 CDAA CCc1nc2c(C(=O)N[C@]34CCC[C@H]3NCC4)ccnc2[nH]1 1772322091 IHZMYFHJTNZRNN-BZNIZROVSA-N 299.378 1.535 0 50 CDAA CCOc1cccc(CC(=O)N[C@@]23CCC[C@@H]2NCC3)n1 1775600094 JENHYQSVJWPBOK-XJKSGUPXSA-N 289.379 1.424 0 50 CDAA CC[C@@H](NC(=O)c1cnn(CCO)c1N)C1CCCCC1 1775997852 NVESQAQSZGXUNP-CYBMUJFWSA-N 294.399 1.546 0 50 CDAA CCc1nc2c(C(=O)NC3CC4(C3)C[C@@H]4N)ccnc2[nH]1 1775960889 UGJKSBKHLXCFKA-VGWYGZTPSA-N 285.351 1.130 0 50 CDAA O=C1NCc2ccc(C(=O)Nc3cccnc3)cc2N1 1776003330 JPOMQELNHDHDFT-UHFFFAOYSA-N 268.276 1.969 0 50 CDAA O=C([C@@H]1CCC[C@H](O)C1)N(CCO)Cc1ccccc1F 1565512452 FQNYDWDGNAQWDH-OCCSQVGLSA-N 295.354 1.698 0 50 CDAA COc1cccc([C@@H](C)C(=O)N[C@H](CO)C(F)(F)F)c1 1364388652 CQOJHHHEDZGAPE-LDYMZIIASA-N 291.269 1.838 0 50 CDAA COc1cccc2c1OC[C@H](NCCC1(C)OCCO1)C2 170088934 JWWQBFHTJMAMQI-CYBMUJFWSA-N 293.363 1.741 0 50 CDAA CC(C)(C)c1csc(CN2C(=O)CNC2=O)n1 170592546 BPIXXUUJYMGZOW-UHFFFAOYSA-N 253.327 1.492 0 50 CDAA CC1(C)CN(C(=O)CCc2nn[nH]n2)[C@@H]2CCC[C@@H]21 633212226 FPPBIOIVFGPPDE-VHSXEESVSA-N 263.345 1.169 0 50 CDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCC1)c1cncs1 1074572974 WILDPNJLGPCTCF-RYDUCSDGSA-N 293.392 1.125 0 50 CDAA COc1cccc([C@@H](C(=O)O)N2CCCO[C@@H](C)C2)c1 634691967 RLTUZYNQEVNWQS-FZMZJTMJSA-N 279.336 1.932 0 50 CDAA CC(C)(C)[C@@H]1CSCCN1C(=O)CCS(C)(=O)=O 585124648 LDVSZIZMKQCTGK-JTQLQIEISA-N 293.454 1.411 0 50 CDAA CCOC[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1c1cnn(C)c1 585655666 XKYGMXHXZJEFHQ-KBPBESRZSA-N 289.383 1.395 0 50 CDAA CCOc1nccc(C)c1C(=O)N1CCC[C@@](C)(O)C1 408400395 RQILXUJCECPZRS-OAHLLOKOSA-N 278.352 1.776 0 50 CDAA C[C@@H](c1ccccc1)N1CCN2CCS(=O)(=O)C[C@H]2C1 408522507 AMDNEVVUHZEVKX-DZGCQCFKSA-N 294.420 1.162 0 50 CDAA Cc1cc([C@H]2CCCN2C(=O)CC2(CN)CC2)on1 645519006 ACOPIPCJZHEJPI-LLVKDONJSA-N 263.341 1.776 0 50 CDAA Cc1cc(CC(=O)N2CCC3(CCN(C)CC3)C2)no1 647726422 HKWVWVRLXQUMDH-UHFFFAOYSA-N 277.368 1.470 0 50 CDAA CSC[C@@H](O)Cn1nnc(Cc2ccccc2C)n1 193396433 VBMQUIUSUAXOPG-LBPRGKRZSA-N 278.381 1.296 0 50 CDAA CN(Cc1ccccc1C(F)(F)F)C[C@](C)(O)C(=O)O 652385667 MOMHSXWTBPWNOF-LBPRGKRZSA-N 291.269 1.973 0 50 CDAA COCCN(Cc1ccco1)C(=O)c1[nH]c(O)nc1C 570822619 BAVFUWPXQHQHMW-UHFFFAOYSA-N 279.296 1.306 0 50 CDAA Cn1cnc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c1 660642130 NMJAGGZGURCXFN-MRXNPFEDSA-N 298.390 1.353 0 50 CDAA Cc1nn(C)cc1NC(=O)c1cc2ccccc2n(C)c1=O 1529182038 SYYDLSKPRFIZPZ-UHFFFAOYSA-N 296.330 1.833 0 50 CDAA Cc1cnc(C)c(NCCN2CCC[C@H](CO)C2)n1 1529112899 VFFZWRJWNKTUBX-ZDUSSCGKSA-N 264.373 1.210 0 50 CDAA CCN1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704333699 DXIJKUGESOPUER-WBVHZDCISA-N 289.423 1.713 0 50 CDAA CC(C)(C)[C@@H](O)CN1CCC[C@@H](c2nc[nH]n2)C1 407949127 UDOFXJGLCZVPAV-MNOVXSKESA-N 252.362 1.391 0 50 CDAA CN(C)Cc1nnc(NC2Cc3ccccc3C2)o1 1704311760 BTTRXFYUGQGZAW-UHFFFAOYSA-N 258.325 1.711 0 50 CDAA COC(=O)c1c(N)cccc1I 115531623 WLALCEBDEFFUEC-UHFFFAOYSA-N 277.061 1.660 0 50 CDAA CN(CCN(C)C1CC1)C(=O)[C@H]1C[C@@H]1c1cncn1C 1614579376 SCYCXSKVFVRCGD-STQMWFEESA-N 276.384 1.076 0 50 CDAA COc1cc(CCNC(=O)[C@]23CCC[C@H]2NCC3)ccn1 1614994628 NRZBHTBAQWBSOM-CJNGLKHVSA-N 289.379 1.281 0 50 CDAA CC(C)(C)Cc1ccccc1C(=O)NCc1nc(=O)o[nH]1 1614999093 PZKMOCUCLIQRKJ-UHFFFAOYSA-N 289.335 1.882 0 50 CDAA CS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(O)cc2)C1 214983637 NKYXQWBXGPMYIU-NSHDSACASA-N 297.376 1.289 0 50 CDAA C[C@@H](c1cccnc1)N(C)S(=O)(=O)N1CCCC1 264226522 XCTSPTUPZKZZDA-NSHDSACASA-N 269.370 1.415 0 50 CDAA OC[C@]1(O)CCN(Cc2cc3ccccc3s2)C1 215574723 PIBZQBOXYFKAIK-AWEZNQCLSA-N 263.362 1.830 0 50 CDAA O=C1NCCc2ccc(-n3ccnc3[C@H]3CCOC3)cc21 1772805701 QYLYYMWSTMQKMJ-LBPRGKRZSA-N 283.331 1.662 0 50 CDAA COCCn1cnnc1[C@@H](C)Nc1ncnc2cc[nH]c12 1772813807 VOJNYIVKDZZCTA-SECBINFHSA-N 287.327 1.369 0 50 CDAA CC(C)[C@@H](NC(=S)NC1CCCCC1)C(=O)O 12382014 CDBOKXXBSOUKDZ-SNVBAGLBSA-N 258.387 1.892 0 50 CDAA CC(C)NC(=O)[C@H]1Cc2ccc(Cl)cc2C(=O)O1 12382582 ZGIPGORCHZYHOE-LLVKDONJSA-N 267.712 1.946 0 50 CDAA COc1ccc(C(=O)N[C@H]2CC(=O)N(CC(C)(C)C)C2)o1 12387148 VJYIFKBFTFFTRS-JTQLQIEISA-N 294.351 1.665 0 50 CDAA Cc1c(F)cccc1NC(=O)CN1CCOCC1 15019421 ZDEQNLWXUPCYDF-UHFFFAOYSA-N 252.289 1.405 0 50 CDAA O=C(OB(c1ccccc1)c1ccccc1)[C@@H]1CCCN1 169744608 GTIDWNAGWOPNOL-INIZCTEOSA-N 279.148 1.088 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(C)n1C(F)F 1857683986 UKVGLJOMGQWDEV-ONGXEEELSA-N 288.294 1.725 0 50 CDAA CCn1ccnc1CN1C[C@H](C(=O)O)C2(CCOCC2)C1 1857691559 QDQUENIHKNYCDK-GFCCVEGCSA-N 293.367 1.216 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)O)c2ccccc2)O1 129340698 FSYZIVKMOPZQAA-USWWRNFRSA-N 263.293 1.496 0 50 CDAA Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CCOC2)C(=O)O)c1 237655264 CCAPPNYXZHQJAO-KGLIPLIRSA-N 291.347 1.391 0 50 CDAA O=C(O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 57264 VHSFUGXCSGOKJX-JTQLQIEISA-N 263.249 1.399 0 50 CDAA in-vitro Cc1nnc([C@H]2CN(Cc3c(C)n[nH]c3C)C[C@@H](C)O2)o1 668649003 PKICYGANXQSERR-AMIZOPFISA-N 291.355 1.680 0 50 CDAA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(C)on1)C2 253479319 PVQMFRIEJSEPBD-NEPJUHHUSA-N 291.351 1.456 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)c1cc(CO)on1 585135448 KKPXWKQRVOOUFD-NEPJUHHUSA-N 282.340 1.490 0 50 CDAA O=C(O)C[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)CCO2 263008109 RWBBTNVSZZEYNF-ZDUSSCGKSA-N 289.331 1.630 0 50 CDAA O=C1N[C@H](C(=O)N2CCC3(CC2)CC3(F)F)CS1 846471333 VEGVSTWDSBGWBK-ZETCQYMHSA-N 276.308 1.459 0 50 CDAA O=C(N[C@@]1(CCO)CCOC1)c1cnc(CC2CC2)s1 907787941 WSHXFGRYNRLVGV-AWEZNQCLSA-N 296.392 1.367 0 50 CDAA CCN1CCN(CCOc2ccc(C(C)=O)cc2)CC1 20389822 QNRULHVDZJOOSM-UHFFFAOYSA-N 276.380 1.906 0 50 CDAA CS(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1 471014 KUFJTHMDALFPHN-UHFFFAOYSA-N 288.413 1.061 0 50 CDAA CCN1CCN(CC(=O)NC2CCCCC2)CC1 20608800 PJWSKGRFQCVGMY-UHFFFAOYSA-N 253.390 1.073 0 50 CDAA O=C(O)c1ccc(CCNC(=O)c2cncnc2)cc1 229799035 VINKFQVFPAFVHK-UHFFFAOYSA-N 271.276 1.147 0 50 CDAA CCOC[C@H]1CCN(C(=O)c2ccc(C(=O)O)cc2)C1 236980589 FTIXJJUIWKZDMO-NSHDSACASA-N 277.320 1.883 0 50 CDAA C[C@@H]1CCCN[C@@H]1CNC(=O)CC[C@@H]1CCOC1 401255960 AOTSVQLDPUHNQO-JHJVBQTASA-N 254.374 1.307 0 50 CDAA NC1(C(=O)NC[C@H]2CC[C@@H](C3CC3)O2)CC2(CCC2)C1 722310267 TWKWFLSBBUGVLV-OLZOCXBDSA-N 278.396 1.722 0 50 CDAA O[C@H](CN1CC[C@@H](C2CCOCC2)C1)c1cccnc1 878300973 JTQWOLTZZDRXQB-HZPDHXFCSA-N 276.380 1.864 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1Cl 82437 VQEXAUSMIYWWFV-NSHDSACASA-N 295.795 1.879 0 50 CDAA CO[C@H]1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cccn2nccc12 2325791209 AZPFNLZSGYILLS-OICBVUGWSA-N 285.347 1.878 0 50 CDAA COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 195335 YUTCGNNDLHWMBG-UHFFFAOYSA-N 262.309 1.033 0 50 CDAA Nc1ccc([C@@H]2CCCc3nonc32)c2nonc12 236387 KUULVZYLNFPPRV-LURJTMIESA-N 257.253 1.656 0 50 CDAA C[C@H]([C@@H]1COc2ccccc2O1)N1C(=O)CCC1=O 447804 RHIHVJMIDLYLCI-SKDRFNHKSA-N 261.277 1.364 0 50 CDAA CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)OCC 1643441 ULRLHEXGRUWQLQ-UHFFFAOYSA-N 275.301 1.006 0 50 CDAA in-vitro O=C(O)c1ccc(NS(=O)(=O)c2ccccc2)cc1O 4660901 NGAHQONRGRXZMN-UHFFFAOYSA-N 293.300 1.891 0 50 CDAA CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)cs1 6680313 JWSRXUQPOYYZKW-MRVPVSSYSA-N 290.410 1.527 0 50 CDAA CCN(CCNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CC1 246967870 OORQDLFNZISJDB-MCIONIFRSA-N 295.427 1.583 0 50 CDAA CC(C)Oc1ccc(C(=O)NCCN(C)C)cc1 6743683 LNXCFBRPLULUPC-UHFFFAOYSA-N 250.342 1.765 0 50 CDAA COc1ccc(C(=O)N2CCN[C@H](C)C2)c(F)c1 226258839 RFIQXOFLMVPWFT-SECBINFHSA-N 252.289 1.268 0 50 CDAA Cc1cc(Br)ccc1OCCNCCN 20118487 RBDBBGRXGCIGIN-UHFFFAOYSA-N 273.174 1.685 0 50 CDAA CNc1nc(-c2cccc3c2O[C@H](CN)C3)ncc1F 67539907 DJDKPJTZZAKUAB-VIFPVBQESA-N 274.299 1.587 0 50 CDAA COC(=O)c1ccc(CN2CCC[C@@H](CO)C2)cc1 23280672 HLIDJWDAXLUQKV-CYBMUJFWSA-N 263.337 1.678 0 50 CDAA Cc1cc(C)n(CCCN(C)c2cc(N(C)C)ncn2)n1 65525500 OTRAPRBURBDXGP-UHFFFAOYSA-N 288.399 1.882 0 50 CDAA COC(=O)c1cnc(SC[C@@H]2CCCC[C@@H]2O)[nH]1 331355690 QZCDMBZHFWWKEB-WPRPVWTQSA-N 270.354 1.840 0 50 CDAA CCn1ccnc1CN1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1 331435740 UXCMABJRFGTYMP-NEPJUHHUSA-N 290.371 1.292 0 50 CDAA CCc1noc(CN(CC)C(=O)Cc2csc(C)n2)n1 65455210 HRDVMNDDSZJVPF-UHFFFAOYSA-N 294.380 1.988 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccccn2)n[nH]1 356492909 WSZWVELSTKLGKM-MRVPVSSYSA-N 297.322 1.389 0 50 CDAA C[C@@H]1CN(C[C@@H](O)c2ccccc2)CC[S@@](=O)C1 253421077 PHVHTTDLRVVGSP-RVZJWNSFSA-N 267.394 1.420 0 50 CDAA COCC1(C(=O)NCC[C@@H]2CCCN(C)C2)CCC1 67432954 ZBOWUFHWBFRXKZ-ZDUSSCGKSA-N 268.401 1.651 0 50 CDAA C[C@H]1CCCN1C1CCN(C(=O)C2(O)CCC2)CC1 368930734 LQKSXTGRVXZQCX-LBPRGKRZSA-N 266.385 1.377 0 50 CDAA CC(C)n1cccc1C(=O)NC[C@H](C)c1nnn[nH]1 153578316 QSFPECIISFHRNT-VIFPVBQESA-N 262.317 1.116 0 50 CDAA O=C(NC[C@@H]1CCCS1(=O)=O)c1cc2ccccn2c1 153858390 LQVZRTVAILERAW-ZDUSSCGKSA-N 292.360 1.246 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)CC(O)=N1 329447117 OATLVRSIAPVBSW-XQHKEYJVSA-N 280.368 1.626 0 50 CDAA CC(C)C[C@@H]1C(O)=NCCCN1C(=O)C1CC(=O)C1 329560649 RIBDQLHNHJGURI-GFCCVEGCSA-N 266.341 1.569 0 50 CDAA COCc1nnc(NC(=O)c2ccccn2)s1 31811970 QZAOAAKTUCUWFS-UHFFFAOYSA-N 250.283 1.332 0 50 CDAA CCOC(=O)c1csc(C[C@H]2CCCNC2)n1 260937686 SBRSVESOJHISFC-SECBINFHSA-N 254.355 1.862 0 50 CDAA O=C(c1ccccc1)C1CCN(C[C@]2(O)CCNC2)CC1 77406564 COKAOFDPPCIBPK-KRWDZBQOSA-N 288.391 1.306 0 50 CDAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)C1(C(N)=O)CC1 72430192 PTASSJQOUOCEDF-UHFFFAOYSA-N 298.346 1.096 0 50 CDAA Cc1nc(N[C@@H](C)Cc2cnccn2)c2c(C)nn(C)c2n1 72421360 ZMXVTNNUPMPGCM-VIFPVBQESA-N 297.366 1.813 0 50 CDAA C[C@@H]1CN(c2ncccc2C(F)(F)F)C[C@H]1C(N)=O 284552992 HNNGUFNBOJIUQA-HTQZYQBOSA-N 273.258 1.658 0 50 CDAA C[C@H](O)c1ccn(Cc2ncn(-c3ccccc3)n2)n1 128917062 RTCANIVITUYTRY-NSHDSACASA-N 269.308 1.565 0 50 CDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1ccoc1 77540495 GNIXZMUHADYRBA-UHFFFAOYSA-N 284.275 1.997 0 50 CDAA COC[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC(C)(C)O1 285228958 XWSHNCWNBQBOFY-GFCCVEGCSA-N 295.383 1.221 0 50 CDAA CC(=O)NC1CCC(NC[C@@H]2CCCS2)CC1 133251624 VFOJLRWJEWSYED-BPCQOVAHSA-N 256.415 1.919 0 50 CDAA Cc1n[nH]c2ncc(NC(=O)[C@H]3CCN(C)C(=O)C3)cc12 193871824 ZBCGAZZTEVKQOD-VIFPVBQESA-N 287.323 1.073 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1nnc(C)o1 289798130 YGUWFNNGKZFBRQ-UWVGGRQHSA-N 263.301 1.537 0 50 CDAA C[C@@]1(C(=O)NCC2(CO)CCCC2)CCCNC1 135096339 OCEGXQQOFCIEIE-CYBMUJFWSA-N 254.374 1.045 0 50 CDAA CCn1nc(C)c(C(=O)N(C)[C@@H]2CCNC2)c1Cl 179126041 ITRDGUYVDFFBDL-SECBINFHSA-N 270.764 1.299 0 50 CDAA CCc1nc(CCN=c2ccc(C(=O)O)n[nH]2)cs1 518540262 FASAWKWENBBGHL-UHFFFAOYSA-N 278.337 1.270 0 50 CDAA CC(C)[C@H](NC(=O)Cc1cnccn1)c1cccnc1 222868827 MWLGWHHEDNPIGT-HNNXBMFYSA-N 270.336 1.928 0 50 CDAA Cn1cnnc1C1CCN(C(=O)C[C@@H]2CCCOC2)CC1 192609585 HLQZFXRQAGHBEN-LBPRGKRZSA-N 292.383 1.338 0 50 CDAA Cc1cc(C)cc(CNC(=O)NC[C@]2(O)CCCNC2)c1 426435015 URFVNJSVGXUCPW-INIZCTEOSA-N 291.395 1.217 0 50 CDAA Cc1ccc(N2CCC3(CC2)OCCC[C@@H]3O)nn1 95379616 UJNZLEQJTJMVOF-LBPRGKRZSA-N 263.341 1.295 0 50 CDAA CSCC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 91603972 WJHLYSDUMLRUGB-NWDGAFQWSA-N 297.351 1.815 0 50 CDAA COc1ccc2c(c1)OC[C@H](CNS(=O)(=O)C1CC1)C2 91974412 SNWSJRJBLNQHCA-JTQLQIEISA-N 297.376 1.328 0 50 CDAA O=C(CCc1ccncc1)N(CCO)Cc1nccs1 97653967 OTSJWEIXIYSJRK-UHFFFAOYSA-N 291.376 1.492 0 50 CDAA COC(=O)c1ccc(C(F)(F)F)c2c1CC(=O)N2 91692843 KOSKZAOZNPIPNG-UHFFFAOYSA-N 259.183 1.987 0 50 CDAA CCS(=O)(=O)CCNc1nnc(C2CCC2)o1 95352721 VEYLPDBHFJLFAH-UHFFFAOYSA-N 259.331 1.184 0 50 CDAA CCCn1cnnc1CN(C)C[C@@H](C)N1CCCC1 244652046 GYTLCWCAPWPURW-CYBMUJFWSA-N 265.405 1.604 0 50 CDAA Nc1c(-c2nnc(S)[nH]2)cnn1-c1ccccc1 253495343 ACBYIYHIQVIGBR-UHFFFAOYSA-N 258.310 1.528 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)c1cccc2c1OCO2 299752813 VOMLENOUDKBBHT-JTQLQIEISA-N 277.276 1.495 0 50 CDAA Cc1ccc(S(=O)(=O)c2cnn(C)c2C)cc1 252497321 QDQMAXHFVIHMDF-UHFFFAOYSA-N 250.323 1.870 0 50 CDAA CC(=O)N[C@@H](Cc1ccc(-c2ccnn2C)cc1)C(=O)O 534634938 WPDBTOHPNYURHZ-ZDUSSCGKSA-N 287.319 1.219 0 50 CDAA COc1ccnc(NC[C@@H]2CCN(CC(C)C)C2)n1 268226441 KYOHLSROEDFEJU-LBPRGKRZSA-N 264.373 1.875 0 50 CDAA CCN(C[C@H]1CCCO1)C(=O)Nc1ccnn1C 185394812 LYEUZXRJLDHODI-SNVBAGLBSA-N 252.318 1.453 0 50 CDAA C=CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1338393263 DPCPNRAXNBBHHW-NXEZZACHSA-N 254.330 1.544 0 50 CDAA CC(C)n1nccc1S(=O)(=O)N(C)CCC(C)(C)O 670463639 SCUNTDNKSWZPLS-UHFFFAOYSA-N 289.401 1.246 0 50 CDAA CC(C)c1cc(C(=O)NC2CCC(C(=O)O)CC2)nn1C 268936664 OULUPYJHFSKQSR-UHFFFAOYSA-N 293.367 1.917 0 50 CDAA CSCC[C@@H](CO)n1cnc2cc(C)ccc2c1=O 670456636 MVQDSIQDZYBSCN-NSHDSACASA-N 278.377 1.991 0 50 CDAA C=CC(=O)N(C)CC(=O)NC[C@H](C)c1cc(F)cc(F)c1 1875370314 JZFCZCULEZRPPH-JTQLQIEISA-N 296.317 1.829 0 50 CDAA C=CC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 1875366507 QYMGTRZMNNJKNH-NEPJUHHUSA-N 280.393 1.812 0 50 CDAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@H](C)N 877031551 XPPYDSXVRQHSEG-JGGQBBKZSA-N 287.407 1.867 0 50 CDAA NS(=O)(=O)CCCN1CCC[C@@H](c2ccncc2)CC1 952879630 FYUXMSPZTOMRDL-CYBMUJFWSA-N 297.424 1.330 0 50 CDAA C[C@H](CNC(=O)N1CCC1)c1ccc(N(C)C)nc1 1875296115 ZPFXWDDXRSQQMA-LLVKDONJSA-N 262.357 1.666 0 50 CDAA CCn1ncnc1CN(C)CCN(C)C1CCCC1 952965729 CDLBAFFQIUVGJW-UHFFFAOYSA-N 265.405 1.604 0 50 CDAA O=C(N[C@@]1(c2ncc[nH]2)CCOC1)c1ncoc1C1CC1 886096800 PZZKPUCMMBTAOM-AWEZNQCLSA-N 288.307 1.321 0 50 CDAA Cc1nc(C2CN(c3ccnc(-c4nccs4)n3)C2)n[nH]1 895329435 GFVPSRUFTHHCCT-UHFFFAOYSA-N 299.363 1.630 0 50 CDAA Cc1nn(C)c(C)c1[C@@H](O)CNc1ncnc2c1CCC2 1772123953 RPLSUQQUDUQETO-ZDUSSCGKSA-N 287.367 1.461 0 50 CDAA C[C@@H](NC(=O)c1nc[nH]c1C(F)(F)F)c1ccn(C)n1 1412232884 YTHOXVWWZWOFSH-ZCFIWIBFSA-N 287.245 1.653 0 50 CDAA C=CC(=O)Nc1c(N(C)C)cccc1S(=O)(=O)N(C)C 1775997210 CAFXEMGVLVRUCB-UHFFFAOYSA-N 297.380 1.127 0 50 CDAA Cc1cc(C(=O)Nc2cccn(C)c2=O)cc(NC2CC2)n1 1362100060 LYZHKOCTISRAES-UHFFFAOYSA-N 298.346 1.915 0 50 CDAA CC(C)(C)c1noc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1 1565510755 CASLTJSTFNNNMG-BDAKNGLRSA-N 295.339 1.484 0 50 CDAA COc1ccccc1-c1cnc(Cn2ccnn2)o1 170084325 UEUROKGJIRKXFK-UHFFFAOYSA-N 256.265 1.990 0 50 CDAA Nc1nc(N)nc(SCCCOCc2ccccc2)n1 170594898 FAQXIZSEYWFFDS-UHFFFAOYSA-N 291.380 1.735 0 50 CDAA CCn1cc(OCCCNC(=O)C2CCCC2)cn1 170617999 SDPYXHMUNXQEQY-UHFFFAOYSA-N 265.357 1.978 0 50 CDAA C[C@H](CNC(=O)c1ccncc1F)N1CCCCC1=O 170619106 GRYIYGOHSLPKKQ-SNVBAGLBSA-N 279.315 1.352 0 50 CDAA Cc1cc(C(F)(F)F)ccc1CNC(=O)Cn1cnnn1 170604631 DQWJZAGOXLGESU-UHFFFAOYSA-N 299.256 1.317 0 50 CDAA CC1(CNC[C@@H](c2cccs2)N2CCOCC2)COC1 170641712 ZMONCCVIOVQALW-ZDUSSCGKSA-N 296.436 1.748 0 50 CDAA COC[C@@H](NC(=O)c1cc[nH]c1C)[C@@H]1CCCO1 279308226 BNBWGDGRSMBADR-NEPJUHHUSA-N 252.314 1.247 0 50 CDAA Cc1cnc(C(C)(C)NC(=O)[C@@H]2COCCN2C)s1 408050330 DAEVQHJWMDXIHZ-JTQLQIEISA-N 283.397 1.133 0 50 CDAA COc1coc(C(=O)NCC2C[C@@H](C)O[C@H](C)C2)cc1=O 281820400 XHMGNZZSHSYLSS-NXEZZACHSA-N 295.335 1.582 0 50 CDAA COCC[C@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)O 111185647 SINVMIZPOLOBBZ-NEPJUHHUSA-N 293.319 1.159 0 50 CDAA CC(C)n1ncnc1C[S@](=O)c1n[nH]c(C2CC2)n1 555767501 QOGUMHREUOTIDC-IBGZPJMESA-N 280.357 1.162 0 50 CDAA CC(=O)C1(C(=O)N2CC[C@@H](c3nccn3C)C2)CC1 560337767 NQIWGCKLVXWKIG-LLVKDONJSA-N 261.325 1.105 0 50 CDAA O=C(CC1CCCC1)N[C@@H](Cc1ccncc1)C(=O)O 655603106 SCNBJNRZEJGZSZ-ZDUSSCGKSA-N 276.336 1.774 0 50 CDAA Cc1noc(C)c1CO[C@H]1CCN(c2ncnn2C)C1 663802879 HQZFJLVUJHMVLW-NSHDSACASA-N 277.328 1.215 0 50 CDAA Cc1nnsc1CN(C)CC(C)(C)CN1CCOCC1 576994116 KFRRHFSUMORFTP-UHFFFAOYSA-N 298.456 1.637 0 50 CDAA CN(C)c1nccc(=N[C@@H](c2cnn(C)c2)C(C)(C)C)[nH]1 579466388 WYPCEEYNBYBWMQ-ZDUSSCGKSA-N 288.399 1.897 0 50 CDAA CC[C@H]1C(=O)NCCN1C[C@@H](C)CNC(=O)OC(C)(C)C 585116611 CQSXNZCCILEQHX-RYUDHWBXSA-N 299.415 1.358 0 50 CDAA C=CC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 791387718 LLTRQCZAXWHDBQ-JTQLQIEISA-N 266.247 1.372 0 50 CDAA O=C(NCC1CCN(CCO)CC1)[C@@H]1CC12CCCCC2 1506428793 ZBMUDIJYCSWRGB-HNNXBMFYSA-N 294.439 1.777 0 50 CDAA CN(C)Cc1nc(C(=O)Nc2nccn2C)cs1 1529119986 PRZVPMODFKEJEE-UHFFFAOYSA-N 265.342 1.191 0 50 CDAA CCc1cc(N[C@@H]2CCOC2)nc(N2CCCC2)n1 1529174460 UNDKJQQQTCKETR-GFCCVEGCSA-N 262.357 1.840 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)c1ncncc1Cl 237556053 BVTXNIORWPXLEB-WCBMZHEXSA-N 268.748 1.472 0 50 CDAA CNC[C@@H]1CCCN1S(=O)(=O)c1cc(C)sc1C 133189398 FVLCOSRQNIBVTK-NSHDSACASA-N 288.438 1.737 0 50 CDAA O=C(O)[C@H]1CCN(CCCOc2ccc(F)cc2)C[C@H]1O 1704302515 NUEFTEWFVJTQGB-UONOGXRCSA-N 297.326 1.362 0 50 CDAA CCCO[C@@H]1CCCN(c2ncc(OC)cn2)C1 1704352726 DXIWFEQENYXVCE-LLVKDONJSA-N 251.330 1.881 0 50 CDAA c1cn2c(n1)CC[C@H](N[C@@H]1[C@@H]3[C@@H]4[C@@H]5C[C@H]6[C@H]4C[C@H]3[C@@H]6[C@H]51)C2 1616037036 FCGYJMGFOFYRCB-MEHWQZGASA-N 281.403 1.934 0 50 CDAA Cc1cc(C)nc(-c2noc([C@]34CNC[C@H]3COC4)n2)c1 1615050972 RAXUQEUMXBXAHF-NHYWBVRUSA-N 286.335 1.236 0 50 CDAA COCCOC1CCN(C(=O)c2ccc(CO)o2)CC1 215016502 BUWAIRZNNBKBLM-UHFFFAOYSA-N 283.324 1.040 0 50 CDAA CN(C)c1nc(N2CCC[C@@H](c3nc[nH]n3)C2)ncc1F 1772703237 CSJVQFYVMSHNTO-SECBINFHSA-N 291.334 1.184 0 50 CDAA CN(C)c1nc(NC[C@@H](c2ccco2)N(C)C)ncc1F 1772700540 GKNJTZUXXJRKMH-NSHDSACASA-N 293.346 1.990 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)NCC1CCCCC1 1772711394 UDVQEWCPFZUBAF-TZMCWYRMSA-N 293.411 1.971 0 50 CDAA CC[C@]12COC(=O)N1CCN(C(=O)c1oc(C)nc1C)C2 1857667352 LFDMLFVZCHBHEE-AWEZNQCLSA-N 293.323 1.348 0 50 CDAA COc1ccc(C(=O)NCCN2CCCCC2)cc1 16216338 FXRZLFCGRINXOW-UHFFFAOYSA-N 262.353 1.911 0 50 CDAA O=C(c1ccco1)N1CCN(c2ccccn2)CC1 18107576 VBQNUACMZREIDZ-UHFFFAOYSA-N 257.293 1.637 0 50 CDAA biogenic,in-vitro CN1CCN(Cc2ccccc2OC(=O)N(C)C)CC1 19799263 UVORYNRMPAXPTO-UHFFFAOYSA-N 277.368 1.494 0 50 CDAA Cc1cccc(OCCNCCNC(=S)S)c1 19799400 VTTQAJMKLOHNGH-UHFFFAOYSA-N 270.423 1.768 0 50 CDAA C[C@]1(C(=O)NCCc2ccco2)CC12CCNCC2 1857694946 ZZPWZGMFPZJVNE-CQSZACIVSA-N 262.353 1.718 0 50 CDAA CC[C@H](C)[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O 261906 RUUWUOYPIXTMLF-GZMMTYOYSA-N 261.277 1.782 0 50 CDAA in-vitro CCC[C@]1(CO)CCN(C(=O)c2c(C)n[nH]c2C)C[C@@H]1O 1875250914 BKVYOJWRYKDKTP-SWLSCSKDSA-N 295.383 1.012 0 50 CDAA CCOc1ccc(C)cc1S(=O)(=O)NC[C@H]1CCCO1 528301 IBXZBNOLOAMNQE-GFCCVEGCSA-N 299.392 1.851 0 50 CDAA Cc1noc(CNC(=O)CCc2ccc(C(=O)O)cc2)n1 237636228 LOJUENGQHZAYGB-UHFFFAOYSA-N 289.291 1.325 0 50 CDAA COC(=O)N1CSC[C@@H]1C(=O)NCc1ccccc1 1859152318 IBIUWPLIDMPWSW-LLVKDONJSA-N 280.349 1.444 0 50 CDAA CC(C)OC1CCN(c2cc(N)n3ncnc3n2)CC1 1875275137 FSJOWFXZPFKTAW-UHFFFAOYSA-N 276.344 1.100 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCc1ccc(C)nc1 900236391 LNMXEWLVDYFGPF-UHFFFAOYSA-N 261.325 1.041 0 50 CDAA COc1ccc(S(=O)(=O)NCCc2cnoc2)cc1C 907388951 ONLGYMBBMIGZGY-UHFFFAOYSA-N 296.348 1.513 0 50 CDAA CO[C@]1(C(=O)O)CCN(C(=O)C2Cc3ccccc3C2)C1 910220038 HQJLZPABKZZNAK-MRXNPFEDSA-N 289.331 1.104 0 50 CDAA CCn1nc(C)c(CN2CC[C@H](O)CC23CCC3)n1 817292247 SCHWLPGODPTWFR-LBPRGKRZSA-N 264.373 1.486 0 50 CDAA CN1CCN(C(=O)CCc2ccccc2C(=O)O)CC1 833697766 RMIKMBFDARDTIU-UHFFFAOYSA-N 276.336 1.091 0 50 CDAA O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCc1cccnc1 101456694 JSZGNPPTEGDQCN-RVMXOQNASA-N 274.320 1.445 0 50 CDAA OC[C@@H]1C[C@@H](O)CN1C[C@H]1CCC2(CCCCC2)O1 252539859 ONVICQYWLIWPIY-BFHYXJOUSA-N 269.385 1.296 0 50 CDAA CC[C@@H]1CN(C(=O)[C@@H](CN)c2ccccc2)C[C@@H](C)O1 236953452 SOAQWOOXMRAHPK-YUELXQCFSA-N 276.380 1.755 0 50 CDAA C[C@H](CN)N(C)C(=O)c1ccc(Br)cc1 237633102 YODFDHGSXGOQQZ-MRVPVSSYSA-N 271.158 1.868 0 50 CDAA CN(C[C@@H]1CCCCO1)CC(C)(C)CN1CCOCC1 32523835 VJXOLSIKUWYICK-HNNXBMFYSA-N 284.444 1.846 0 50 CDAA NC[C@H]1CCCN1S(=O)(=O)c1cccc2ncccc12 158382601 XQCRXISPTWLWQU-LLVKDONJSA-N 291.376 1.347 0 50 CDAA Cc1nn(C)c(C(=O)NCc2ccc(C(=O)O)o2)c1Cl 426414630 MFGOGTXZKNUTEY-UHFFFAOYSA-N 297.698 1.603 0 50 CDAA O=C(CC1CCNCC1)N[C@@H]1COC2(CCCCC2)C1 534640853 BMCXMMHJJHLTKR-AWEZNQCLSA-N 280.412 1.984 0 50 CDAA Cc1csc(CN(C)CC[C@H]2CCS(=O)(=O)C2)n1 584897271 QCPFMGKEWHOZGN-NSHDSACASA-N 288.438 1.708 0 50 CDAA CN(C)CC1(O)CCN(C(=O)[C@@H]2CC23CCC3)CC1 584892953 FLJDJBDKQBMVKG-LBPRGKRZSA-N 266.385 1.092 0 50 CDAA CC1(C)C[C@@H](O)CCN(C(=O)CC2CCNCC2)C1 395358085 VSPFHSRIZKWPDY-ZDUSSCGKSA-N 268.401 1.386 0 50 CDAA O=C(CCc1n[nH]c2ccccc12)N[C@H]1CCC[C@H](O)C1 2325766210 BXMXOICEINUOSG-RYUDHWBXSA-N 287.363 1.915 0 50 CDAA CN(C(=O)c1cc2c(ncn2C)s1)c1cn[nH]c1 2325840513 CYVQIRQNAWVAFC-UHFFFAOYSA-N 261.310 1.635 0 50 CDAA C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@H](N)C1 237360974 CMIHSVIIUVJQBN-JQWIXIFHSA-N 250.317 1.564 0 50 CDAA CCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1F 64020 HXKCWWBXEMEMND-UHFFFAOYSA-N 275.301 1.554 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccsc1 72592 QJKNCYMVAPBLOZ-VIFPVBQESA-N 252.295 1.549 0 50 CDAA O=S(=O)(Cc1ccccc1)NCc1cccnc1 183583 NHIJVYDDVYIZMT-UHFFFAOYSA-N 262.334 1.701 0 50 CDAA CC1(C)C[C@@](O)(CNCc2ccc3c(c2)OCO3)CCO1 206543 YUFGVAYYXDAHKF-MRXNPFEDSA-N 293.363 1.825 0 50 CDAA biogenic CCN(c1ccccc1)c1nc2nonc2n2cnnc12 217177 PEPAEVQRLSZGIN-UHFFFAOYSA-N 281.279 1.819 0 50 CDAA Cc1ccc2c(c1)[C@](O)([C@H]1COC(C)(C)CC1=O)C(=O)N2 229553 XNHZGZZHBFCLPG-ZBEGNZNMSA-N 289.331 1.519 0 50 CDAA biogenic COc1ccc(OC)c(NC(=O)[C@H]2CCCNC2=O)c1 317655 SRFJLFPOTVRMKY-JTQLQIEISA-N 278.308 1.169 0 50 CDAA CCN(CC)C(=O)CS(=O)(=O)c1ccc(C)cc1 394265 OKRUMFNIMJUTAS-UHFFFAOYSA-N 269.366 1.637 0 50 CDAA CCOC(=O)Cc1nnc(-c2ccccc2OC)o1 409484 VGCIJHLTEYHRAI-UHFFFAOYSA-N 262.265 1.851 0 50 CDAA COc1cc2c(cc1CN1C[C@@H]3CNC(=O)[C@@H]3C1)CCC2 2356159534 FXBNUHLXNURXAG-LSDHHAIUSA-N 286.375 1.362 0 50 CDAA O=C(COc1ccccc1)N1CCN(c2ccccn2)CC1 4730863 ZNHOGPDZYZGGFD-UHFFFAOYSA-N 297.358 1.809 0 50 CDAA Cc1nn(S(=O)(=O)N2CCCCCC2)c(C)c1C 4866955 JDQXUMURBFIATP-UHFFFAOYSA-N 271.386 1.777 0 50 CDAA C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccccc2C(N)=O)C1 6725559 UEIASVUCIDAPRA-VXGBXAGGSA-N 289.379 1.702 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NCc2ncc(C(C)(C)C)o2)N(C)C1 345425728 ILXNJNMZPJDBHH-QWRGUYRKSA-N 295.383 1.307 0 50 CDAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1ncn[nH]1 55242539 NIZCGFYYWRMECW-UHFFFAOYSA-N 278.316 1.049 0 50 CDAA O=C(NCCn1cnc2ccccc2c1=O)c1cccs1 20745498 IOVSCVUFIQITEB-UHFFFAOYSA-N 299.355 1.888 0 50 CDAA Cc1c(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)ccn1C 851608018 XXMZWYKLZVJHKD-CYBMUJFWSA-N 294.351 1.191 0 50 CDAA CCC1(CC)[C@H](NC(=O)C2(C(=O)O)CC2)C[C@H]1OC 119011568 OUTGCLYHKZNCOO-NXEZZACHSA-N 269.341 1.561 0 50 CDAA FC(F)n1ccc(CN[C@H]2CCc3nc[nH]c3C2)n1 353251471 QWBFOYSIJJFWMM-QMMMGPOBSA-N 267.283 1.648 0 50 CDAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)CCO 252476836 CGQPCFHWUGXULJ-KGYLQXTDSA-N 263.337 1.686 0 50 CDAA O=C(c1cccnc1S)N1CCO[C@H]([C@@H]2CCCO2)C1 151821746 IUCLYVJDQGJEFL-RYUDHWBXSA-N 294.376 1.390 0 50 CDAA Cc1nc2c(c(=O)[nH]1)CCN(c1ccc(Cl)nn1)CC2 67965671 QXSOTNIPDCERPH-UHFFFAOYSA-N 291.742 1.127 0 50 CDAA c1cnc2ncc(CN(C[C@@H]3CCCN3)C3CC3)n2c1 328621114 AGFZXWMOFNVTKM-LBPRGKRZSA-N 271.368 1.446 0 50 CDAA O=C(c1cc2cc(F)c(F)cc2[nH]1)N1CCOCC1 1851269763 ONNLMMKVJKCFNO-UHFFFAOYSA-N 266.247 1.919 0 50 CDAA CCC(C)(C)NC(=O)[C@@H](C)N1CCC[C@@](C)(O)C1 124700656 NAWRJCVZBHHYKP-BXUZGUMPSA-N 256.390 1.527 0 50 CDAA Cn1cc(CN[C@@H]2CCOc3c(F)ccc(F)c32)nn1 361229067 PNJUJNOBZFUCBY-LLVKDONJSA-N 280.278 1.707 0 50 CDAA O=S(=O)(N[C@H]1CC[C@@H]2CCC[C@@H]21)N1CCCC1 77488553 VQKXKDYNAUGYOU-SRVKXCTJSA-N 258.387 1.495 0 50 CDAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1cc(C(C)C)[nH]n1 367373870 DENYQGAKCPYKSD-UWVGGRQHSA-N 268.336 1.305 0 50 CDAA CN(C(=O)c1cnn(Cc2ccccc2)c1)C1CCNCC1 237115573 ZHVUEPCNBLBAOS-UHFFFAOYSA-N 298.390 1.755 0 50 CDAA Cc1cc(=NC(=O)Cn2cnc3c2C[C@@H](C)[C@@H](C)C3)[nH]o1 333706044 OYYIFRZXBWNDOC-VHSXEESVSA-N 288.351 1.611 0 50 CDAA O=C(CCc1nccs1)NCc1ccc(C(=O)O)o1 262080452 AWIXEZXAKMZJQR-UHFFFAOYSA-N 280.305 1.683 0 50 CDAA NC(=O)[C@H]1c2ccccc2CCN1C(=O)Cc1ccco1 371973086 IEJWUJUXHWYFMT-OAHLLOKOSA-N 284.315 1.433 0 50 CDAA C[C@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1CCNC1 237678004 OHCFKCGIPUGXCX-GOEBONIOSA-N 287.407 1.329 0 50 CDAA COc1cc(C(=O)N2CCOC[C@H]2CC(=O)O)ccc1F 127557877 QEIVMUJLFSKVPI-SNVBAGLBSA-N 297.282 1.150 0 50 CDAA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCCc1ccccn1 219418676 YDEOEROXMDCSKW-LBPRGKRZSA-N 294.376 1.079 0 50 CDAA CCc1cncc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c1 284627395 CHPVVQVYBCJSPT-GJZGRUSLSA-N 291.395 1.435 0 50 CDAA O[C@@H](COC1CCOCC1)CN1CCCc2occc2C1 377526231 SGGOKTZWJZEOGX-CQSZACIVSA-N 295.379 1.584 0 50 CDAA O=C(c1ccoc1)N1CCC(c2nnc(O)o2)CC1 336244157 BWRNEJISEYOCSR-UHFFFAOYSA-N 263.253 1.388 0 50 CDAA NC(=O)C1(c2cccc(Br)c2)CCOCC1 34580570 ZBBPOKGRGPCSHF-UHFFFAOYSA-N 284.153 1.983 0 50 CDAA C[C@@H]1[C@H](Cc2ccccc2)CCN1CCC(=O)NC(N)=O 242288035 YKNNNHLOOXBZQG-OCCSQVGLSA-N 289.379 1.525 0 50 CDAA CC(=O)N[C@@H](C)C(=O)Nc1cccc(-n2cccn2)c1 78907202 QHRNXZALWRMQSQ-JTQLQIEISA-N 272.308 1.335 0 50 CDAA CCOC(=O)[C@]1(CCC(=O)OC)CCCCC1=O 44126176 VSOXFDZMBJAVCX-ZDUSSCGKSA-N 256.298 1.632 0 50 CDAA CCOc1ccc(C(=O)N2CC[C@H](CNC)C2)cc1OC 178986099 UKAMCOGCLALGBK-GFCCVEGCSA-N 292.379 1.775 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)C[C@@H]1CCOC1 426510180 SGZXICZKDVEXLX-NSHDSACASA-N 275.308 1.608 0 50 CDAA COc1ccc2cc(CN3C[C@@H](N)[C@H](O)C3)ccc2c1 426434140 QWJLYXDDYQDVHW-HZPDHXFCSA-N 272.348 1.352 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)[C@@H]3Cc4ccccc4O3)C2)n1 220146049 ZULSUHMKIVOBAF-INIZCTEOSA-N 297.358 1.887 0 50 CDAA O=C(CCc1c[nH]cn1)N[C@H]1COc2ccc(F)cc2C1 290677835 OYNVSEAYQHRDSG-CYBMUJFWSA-N 289.310 1.601 0 50 CDAA CN(C)c1nc(-c2ccc(-n3cccn3)cc2)cc(=N)[nH]1 426386827 AIBPEAOVIOZGFH-UHFFFAOYSA-N 280.335 1.808 0 50 CDAA CCOC(=O)c1c(O)c2c(OC)cccc2n(C)c1=O 148413829 JTNIHKXKXQMSJA-UHFFFAOYSA-N 277.276 1.429 0 50 CDAA COC(=O)c1nc(NC(=O)CCC(=O)O)sc1C 95095458 MTDORGZENBBPSR-UHFFFAOYSA-N 272.282 1.041 0 50 CDAA Cn1nc(-c2cncc(N)c2)nc1N1CCCCC1 426545140 VLRASDUSKYXZLD-UHFFFAOYSA-N 258.329 1.450 0 50 CDAA COCC(C)(C)N(C)C(=O)[C@H](C)Oc1cccnc1 293880360 FPAWDBOSBKFJFM-NSHDSACASA-N 266.341 1.732 0 50 CDAA CCCOCc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(=O)O 268894140 JJJCHIJOORJRTP-ZIAGYGMSSA-N 291.347 1.950 0 50 CDAA COC(=O)c1ncc(Br)cc1NC(C)=O 97757109 DHOGGMPIHOJWEO-UHFFFAOYSA-N 273.086 1.589 0 50 CDAA O=c1[nH]cc(I)c2ccncc12 95629957 ZBDXNQRDQVRSPG-UHFFFAOYSA-N 272.045 1.528 0 50 CDAA COCCn1cncc1Cn1c(=O)c(C)nc2ccccc21 95384933 HNQKAGFJXPCZPL-UHFFFAOYSA-N 298.346 1.596 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cccn(C)c2=O)cs1 335902964 PJJVVDKBICVCFM-QMMMGPOBSA-N 277.349 1.641 0 50 CDAA COc1ncc2c(=O)cc[nH]c2c1Br 95707876 YTRWYKIONSOWGQ-UHFFFAOYSA-N 255.071 1.694 0 50 CDAA CCCc1cc(C(=O)N2CC(n3nc(C)cc3C)C2)[nH]n1 91433820 ZEANRAHBKOCZSQ-UHFFFAOYSA-N 287.367 1.873 0 50 CDAA O=C(C[C@H]1CCc2ccccc21)NCCOCCO 91746511 NSGAPHYYJLAMKP-CYBMUJFWSA-N 263.337 1.232 0 50 CDAA Cc1cc(CN(C)C(=O)[C@H]2CCCCCN2C)no1 95354998 OOGWYFMSDFVJGU-CYBMUJFWSA-N 265.357 1.816 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCOC[C@H]1C(=O)O 268971736 HLHOJYZWURASHO-IHRRRGAJSA-N 289.331 1.411 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(C(=O)O)o2)O1 268903128 IPSBSQVEDDPEQI-NXEZZACHSA-N 281.308 1.942 0 50 CDAA COCc1noc(CN(C)CCc2c(C)n[nH]c2C)n1 244873315 WOAGCUMZEMTEOO-UHFFFAOYSA-N 279.344 1.230 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@H]42)[C@H]3O)cc1 245391901 NLBHOXLHYBDIKY-KJKVDNPUSA-N 287.315 1.102 0 50 CDAA NC(=O)CCC1CCN(CC[C@@H]2CCOC2)CC1 438125758 XCPKONRWZIOZAT-CYBMUJFWSA-N 254.374 1.391 0 50 CDAA Cc1cccc(OCC(=O)N[C@@H]2CCSC2=O)c1F 182955649 IRFFSJFDTYONPE-SECBINFHSA-N 283.324 1.661 0 50 CDAA O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2 250652711 RVGQCEQOXNXHHZ-ZFWWWQNUSA-N 261.321 1.610 0 50 CDAA COc1ccccc1[C@@H](C)CC(=O)N[C@H]1C[C@@H](O)C1 298435262 PASYHNVECMPPKL-SDDRHHMPSA-N 263.337 1.828 0 50 CDAA O=C(NC[C@@H](O)c1ccccc1Cl)[C@]1(F)CCNC1 299739186 LQMIKYNNNXMUTA-YPMHNXCESA-N 286.734 1.191 0 50 CDAA O=C(O)[C@@H]1COCCN(C(=O)Cc2cccc(Cl)c2)C1 700373395 CLPCOMKXBSSRKA-NSHDSACASA-N 297.738 1.442 0 50 CDAA CSCC[C@H](C(=O)NCCc1c[nH]cn1)n1cccc1 263585591 KJHGEQZKEPDOFB-CYBMUJFWSA-N 292.408 1.864 0 50 CDAA biogenic COCC[C@H]1CN(C(=O)C2(COC)CCC2)CCO1 584898467 FXSCCKLYYAXJTO-LBPRGKRZSA-N 271.357 1.067 0 50 CDAA O=C(c1ccoc1)N1CCCN([C@H]2CCSC2)CC1 670460753 GMEAWQYAJVFYAA-ZDUSSCGKSA-N 280.393 1.933 0 50 CDAA O=C(O)C[C@@H]1CCCCN1C(=O)COCC(F)F 630159684 ZIINNHALWSQZLO-QMMMGPOBSA-N 265.256 1.124 0 50 CDAA CN(CC(=O)N(C)C1CCCCC1)C[C@@H]1CC(=O)N(C)C1 670465121 VYKVEFBPNVTUOV-ZDUSSCGKSA-N 295.427 1.188 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(F)F 1875273039 YZTCALVDAZMROK-FMQXYTONSA-N 295.285 1.881 0 50 CDAA Cc1cc(N(C)Cc2nc(O)n[nH]2)nc(C(F)(F)F)n1 1875294504 HCUBQAOOXUZYPG-UHFFFAOYSA-N 288.233 1.264 0 50 CDAA Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)nn1 1875281229 WONNDZFLFYAROE-UHFFFAOYSA-N 278.337 1.105 0 50 CDAA Cc1cnc(C(=O)Nc2nc(C(F)(F)F)cn2C)cn1 1875312656 IEXADYUUEVZWPR-UHFFFAOYSA-N 285.229 1.790 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)N[C@H]1CCc2n[nH]c(C)c2C1 1875304113 AKGCYNIEBSEHPI-JTQLQIEISA-N 288.355 1.737 0 50 CDAA C=CC(=O)N[C@H]1C[C@@]2(CCOC2)Oc2ccccc21 1875368071 OIUJDPXRERRTBN-SWLSCSKDSA-N 259.305 1.972 0 50 CDAA CC(C)(C)c1nnc(CS(=O)(=O)c2cccnc2)o1 1459274810 PEJVYFGLDGXDHH-UHFFFAOYSA-N 281.337 1.736 0 50 CDAA C[C@H]1C(=O)N(C)CCN1C(=O)c1cccc2c1CCC2=O 952991450 SAKNFSTUUSHCPG-JTQLQIEISA-N 286.331 1.118 0 50 CDAA CCN(CC)CC1(NC(=O)C2=C(C)OCCO2)CC1 952966729 WJLMCMRWSJGUJR-UHFFFAOYSA-N 268.357 1.255 0 50 CDAA CN(C)C1(CNc2cc3nncn3c(N)n2)CCCCC1 952863875 XCWWCPJZEJMLOQ-UHFFFAOYSA-N 289.387 1.383 0 50 CDAA C[C@H]1COC[C@@H]1Nc1nnc(-c2ccon2)s1 895908247 HFQWOHAQBJTPPG-XPUUQOCRSA-N 252.299 1.640 0 50 CDAA O=C([C@@H]1NCc2ncncc21)N1CCc2ccc(F)cc2C1 1775962284 CJXFQAUMUOQXPJ-OAHLLOKOSA-N 298.321 1.345 0 50 CDAA C=CC(=O)Nc1cnc(N2CCOCC2(C)C)nc1 1775997611 MGNCMJLBRSYVEK-UHFFFAOYSA-N 262.313 1.216 0 50 CDAA Cc1cccc([C@H](CNCCC(=O)O)N2CCOCC2)c1 1776004552 TZZZLMHFEQFKCY-HNNXBMFYSA-N 292.379 1.433 0 50 CDAA O=C(NC[C@H]1CCNC[C@@H]1O)Nc1ccc(F)c(F)c1 1565512453 GIDANUNRFFQSCB-PELKAZGASA-N 285.294 1.057 0 50 CDAA CC(C)n1cc([C@]2(O)CCN(CC3CCCC3)C2)nn1 583617353 ZVCSCYJXHQACOM-HNNXBMFYSA-N 278.400 1.943 0 50 CDAA COCC(=O)N(Cc1ccccn1)[C@H]1CCCNCC1 186612146 XJFGEXVQFCJKJT-AWEZNQCLSA-N 277.368 1.199 0 50 CDAA Cc1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1C 548913547 RVNRKUCEPRPXLQ-CYBMUJFWSA-N 294.305 1.980 0 50 CDAA CC(C)[C@H](CN[C@@H]1CCOC1)ONC(=O)OC(C)(C)C 398827649 CNJHTUQJDFQOBX-NEPJUHHUSA-N 288.388 1.846 0 50 CDAA Cc1ccc(S(=O)(=O)Nc2ccncc2F)cn1 170617512 UPGZIFLVJQRVIA-UHFFFAOYSA-N 267.285 1.725 0 50 CDAA Cc1ncccc1CNc1cccc(S(N)(=O)=O)c1 170612325 PLXXTJOOJPQSDY-UHFFFAOYSA-N 277.349 1.650 0 50 CDAA NC(=O)c1cc(C(=O)N[C@@H]2CCOc3ccccc32)c[nH]1 170621666 FNWKXBJXHHGCRD-LLVKDONJSA-N 285.303 1.367 0 50 CDAA COCC(=O)NC1CN(C(=O)c2cccc(Cl)c2C)C1 280354347 UXRXTWXURVXKQH-UHFFFAOYSA-N 296.754 1.235 0 50 CDAA O=C(NCc1nccs1)[C@@H]1CC[C@H]2CCCCN12 585122139 OMFJSSWRPHVFCR-MNOVXSKESA-N 265.382 1.776 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@]1(O)CCSC1 189044876 UPDNJTPZNZZAIX-SUNKGSAMSA-N 287.425 1.422 0 50 CDAA OCc1ccc(CN[C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)cc1 639372711 NAGUGRBXKSKPBF-ZACQAIPSSA-N 290.407 1.256 0 50 CDAA CSC[C@H](C)N(C)C(=O)Cc1c(C)n[nH]c1C 225404512 WWHMOZHXXAQZBO-QMMMGPOBSA-N 255.387 1.779 0 50 CDAA CC(C)COC[C@H](O)CN1CC[C@@]2(O)CCCC[C@@H]2C1 225428687 MBLHMTWGCQWAGG-OAGGEKHMSA-N 285.428 1.647 0 50 CDAA COCCO[C@@H]1CCN(C(=O)c2ccn(C(C)C)n2)C1 225444343 SLRFZGQJLLITHS-GFCCVEGCSA-N 281.356 1.342 0 50 CDAA COCCc1noc(CN[C@@H]2CCCC2(C)C)n1 191292593 PYNTZMMTIPGKBB-SNVBAGLBSA-N 253.346 1.927 0 50 CDAA Cc1csc(CNC(=O)c2cn(C(C)(C)C)nn2)n1 191743277 CYHTXCXTIXIRCM-UHFFFAOYSA-N 279.369 1.728 0 50 CDAA O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1cnns1 192330678 KBOCDOLLVVEMSL-YUMQZZPRSA-N 256.331 1.211 0 50 CDAA C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CCCO1 195560762 IDYYTJXAGAFCHE-QEJZJMRPSA-N 274.364 1.949 0 50 CDAA O=C(c1cnc(O)c2ccccc12)N1CC[C@]2(CCNC2)C1 573204221 OWWGQNMPMSNFNP-KRWDZBQOSA-N 297.358 1.766 0 50 CDAA COc1cc(CN2CCC[C@@H](C(=O)NC(C)C)C2)on1 662116416 DZNAXTLVUXGLTB-LLVKDONJSA-N 281.356 1.420 0 50 CDAA NC[C@H]1CCCc2ccc(C(=O)NCc3nc[nH]n3)cc21 662687905 KBHWREMFCUEQFF-GFCCVEGCSA-N 285.351 1.113 0 50 CDAA CC(C)[C@H]1CCCN(C(=O)NCc2ccc(O)nn2)C1 580698926 UERPVMLDKVCXGY-NSHDSACASA-N 278.356 1.760 0 50 CDAA CN(C[C@@H]1CCOC1)c1ncc(F)c(N2CCCC2)n1 1506398673 QCKISBAVOCCDIN-NSHDSACASA-N 280.347 1.689 0 50 CDAA Cc1nnc(SCC(=O)NCc2cc(C3CC3)on2)o1 1506408202 CGKLKIFUXDUCAL-UHFFFAOYSA-N 294.336 1.652 0 50 CDAA Cc1nnn(NC(=O)Cc2cccc(Cl)c2)c1C 914016580 AJOFHXMHBPDFHQ-UHFFFAOYSA-N 264.716 1.861 0 50 CDAA C[C@H](CCN(C)Cc1nc(C(=O)O)co1)N1CCCC1 1529155277 PVLLLAMDEMRHSL-LLVKDONJSA-N 281.356 1.679 0 50 CDAA CCNCC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 162279285 AILDBYOVXGCLFX-GFCCVEGCSA-N 255.406 1.208 0 50 CDAA O=C(N1CCO[C@H](C2CC2)C1)C(F)(F)C1(O)CCC1 364503525 KBFOFOWNAIVZEF-JTQLQIEISA-N 275.295 1.174 0 50 CDAA Cc1ccccc1OCCC(=O)NC[C@H]1CC[C@@H](CO)O1 1615908746 HKZNMPNBNQZHRF-KGLIPLIRSA-N 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296.374 1.821 0 50 CDAA O=C1CC(=C2[C@@H]3C(=O)[C@H]4C[C@H]5C(=O)[C@@H]2[C@@H]2[C@H]5[C@H]4[C@@H]32)C1 257358694 VUTMCDQVXOPOJF-IPPODQLMSA-N 254.285 1.172 0 50 CDAA Cc1cnc(CN2CCc3[nH]cnc3C2)c(C)c1O 253537416 WYFYEOFAGZFLRI-UHFFFAOYSA-N 258.325 1.685 0 50 CDAA CCn1cc(O[C@@H]2CN(CC=C(C)C)C[C@H]2O)cn1 625613860 DBHSEHACNFGXJT-ZIAGYGMSSA-N 265.357 1.293 0 50 CDAA Cc1ccc2nc(CN3CCOC[C@@H]3CO)cc(O)c2c1 253537060 WDVHYISQGBBWNZ-ZDUSSCGKSA-N 288.347 1.442 0 50 CDAA Cn1ccc(NC(=O)CN2CCC[C@@H]2c2ccccn2)n1 252483329 DZCUQRYIQOFQOJ-CYBMUJFWSA-N 285.351 1.591 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(-c3ccc(O)cn3)cc2)CCN1 534588318 MPQOZLVXAISSJT-GFCCVEGCSA-N 297.358 1.888 0 50 CDAA CCc1nnc(CNC(=O)C[C@@H]2CCCOC2)o1 534581838 URMJCFJDVWTIPN-VIFPVBQESA-N 253.302 1.065 0 50 CDAA C[C@H](OC1CCCCCC1)C(=O)N1C[C@@H](O)[C@H](C)C1 351867375 YQJJQYKFYGZNQU-MBNYWOFBSA-N 269.385 1.954 0 50 CDAA COCCC(=O)NC[C@@H]1CCN(C2CCCC2)C1 534664754 LDYNAZJVZKUHCT-LBPRGKRZSA-N 254.374 1.404 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCc2nnc(N)s2)n1 534675338 CZWMQHPBUGOPHQ-MRVPVSSYSA-N 266.374 1.112 0 50 CDAA CCN(Cc1nc(C)no1)C(=O)NCCN(C)C(C)C 534676258 FMWORHKTKGVUER-UHFFFAOYSA-N 283.376 1.250 0 50 CDAA CN(CC1(C)COC1)S(=O)(=O)CC1CCCC1 625407527 LQZHUZUHNBEDNU-UHFFFAOYSA-N 261.387 1.475 0 50 CDAA c1ccc2c(c1)CC1(CO2)CN(Cc2ncc[nH]2)C1 1940193479 YZRKVMAZYBLYHX-UHFFFAOYSA-N 255.321 1.847 0 50 CDAA COc1nc2ccccc2cc1-c1cnn(-c2nn[nH]n2)c1 1940195073 LATLSHWPDGHPHE-UHFFFAOYSA-N 293.290 1.609 0 50 CDAA CCc1ccc(C(=O)N2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)[nH]1 299758635 KAZBKFCVSHDOPI-IVMMDQJWSA-N 292.379 1.722 0 50 CDAA C[C@@H](C(=O)N1CCOC[C@H]1C(=O)O)c1cccs1 269000101 YBNNYWNFBDUMLW-BDAKNGLRSA-N 269.322 1.164 0 50 CDAA Cc1cc(CC(=O)NCC2(N(C)C)CCCCC2)on1 573329132 HOJJPNJRXBENHC-UHFFFAOYSA-N 279.384 1.906 0 50 CDAA Cn1[nH]c(C2CCN(C(=O)OC3CCC3)CC2)nc1=N 585134619 CGPKTWJHAFBKHF-UHFFFAOYSA-N 279.344 1.096 0 50 CDAA CN(C)CCN1CC(=O)Nc2cc(Cl)ccc2C1=O 823698199 WIHHUJUAWLOUGE-UHFFFAOYSA-N 281.743 1.296 0 50 CDAA O=C(CCCc1cn[nH]c1)NCc1cnc2cnccn12 584894924 LEOLENOLOWPNCY-UHFFFAOYSA-N 284.323 1.092 0 50 CDAA CN1CC[C@]2(CCCN(C(=O)c3c[nH]c(=N)s3)C2)C1 584897556 JRUOPQLLDLNLCX-CYBMUJFWSA-N 280.397 1.114 0 50 CDAA CN(Cc1noc(C2CC2)n1)C(=O)c1cncc(F)c1 584891778 PEHHCMDAALQMNI-UHFFFAOYSA-N 276.271 1.753 0 50 CDAA CCOC(=O)N1CC[C@@H](NCCc2nccs2)C1 670462192 DIDXBIFIKJCDJT-SNVBAGLBSA-N 269.370 1.506 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2ccccc2-c2nc[nH]n2)n[nH]1 670450953 SZXZOCKJVXNJJH-MRVPVSSYSA-N 297.322 1.389 0 50 CDAA Cc1cc(CN2CCC3(CCC(=O)N3C)CC2)n[nH]1 670472555 ZASYFTORVSBCLE-UHFFFAOYSA-N 262.357 1.305 0 50 CDAA CCC1=C(C(=O)Nc2nc(OC)n[nH]2)SCCO1 1875329395 UCWQBLRJVGXXRV-UHFFFAOYSA-N 270.314 1.137 0 50 CDAA O=C1Nc2ccccc2C[C@@H]1C(=O)N1CC=CCC1 1875300882 UVOCOYXRXSVHLL-LBPRGKRZSA-N 256.305 1.586 0 50 CDAA C=CS(=O)(=O)CCC(=O)Nc1noc(C)c1C 952880028 MNEACXMZIBKGCQ-UHFFFAOYSA-N 258.299 1.178 0 50 CDAA Oc1cccc(CN2CC[C@@H]3OCc4cnnn4[C@@H]3C2)c1 1076057142 BIMAUWSKPMPVMK-CABCVRRESA-N 286.335 1.330 0 50 CDAA COCCn1cnnc1CNCc1ccc(F)c(OC)c1 952868625 FGLFUANWQKOWSC-UHFFFAOYSA-N 294.330 1.362 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)CN1Cc2ccccc2C1 952870116 VCXWKYLAFLIACB-UHFFFAOYSA-N 284.363 1.692 0 50 CDAA COc1cc(NC(=O)c2ccccn2)cc(-n2cnnn2)c1 952982576 ZDQBRTPNKBMWHA-UHFFFAOYSA-N 296.290 1.318 0 50 CDAA COCCC(=O)N1CCC[C@@H](CNC(=O)c2ccoc2)C1 952984065 NILCOHMQXNXZQD-LBPRGKRZSA-N 294.351 1.285 0 50 CDAA O=C(c1cccc2nn[nH]c12)N1CC[C@@H](C(F)(F)F)C1 888015269 HYWMFOXXKQYWRD-SSDOTTSWSA-N 284.241 1.982 0 50 CDAA CN(Cc1cn(C)nc1C1CCCC1)[C@@H]1CCNC1=O 892241506 KVKKSULGBFXFJC-CYBMUJFWSA-N 276.384 1.398 0 50 CDAA CCc1nc2c(C(=O)N[C@@]34CCC[C@H]3NCC4)ccnc2[nH]1 1775600069 IHZMYFHJTNZRNN-BDJLRTHQSA-N 299.378 1.535 0 50 CDAA Cc1cc([C@@H](C)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)no1 1775959544 FPZZMPDDTYREDW-GWNIPJSYSA-N 262.313 1.205 0 50 CDAA O=S(=O)(Nc1c(O)cc(F)cc1F)N1CCCC1 1775990323 LOGCRXWXEAONLM-UHFFFAOYSA-N 278.280 1.423 0 50 CDAA O=C(NCc1ccccn1)[C@H]1CNc2ccccc21 133990934 VSCSZNXLQFXUPF-ZDUSSCGKSA-N 253.305 1.907 0 50 CDAA C/C(=C\Cl)CS(=O)(=O)Cc1nonc1C 899497513 VHTOLKRIMXJWFC-ZZXKWVIFSA-N 250.707 1.435 0 50 CDAA C[C@H]1CN(c2ccc(C(=O)O)cn2)C[C@]1(O)C1CC1 1565507800 SWAHONDSVNOUNO-LKFCYVNXSA-N 262.309 1.377 0 50 CDAA Fc1cccc(CN2CCN(c3ncccn3)CC2)c1 19536766 DDFZWZOMOJAGID-UHFFFAOYSA-N 272.327 1.938 0 50 CDAA CONC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 167059763 CMYMNEKCKAADCH-ZJUUUORDSA-N 254.286 1.439 0 50 CDAA CC[C@@H]1CC[C@@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)O1 275493250 ZYMRUUMIXWKBIT-VOAKCMCISA-N 293.367 1.324 0 50 CDAA O=C(O)c1ccc(CN2CCOC[C@@H]2[C@@H]2CCCO2)cc1 584118817 MSMMZWOCGTWKDA-CABCVRRESA-N 291.347 1.765 0 50 CDAA CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2CO)cc1F 277777397 QMHKYBTUFLVLDX-NSHDSACASA-N 280.299 1.381 0 50 CDAA CCOC(=O)c1cn2nc(Br)ccc2n1 85224791 JYYXPDQBCYLFBH-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA in-vitro Cc1cc(CN2CC[C@@]3(CCOC3)C2)nc(N(C)C)n1 170089678 LRELTQHZPIBKLG-OAHLLOKOSA-N 276.384 1.463 0 50 CDAA C=Cn1cc(CN2CC[S@](=O)C[C@@H](C)C2)cn1 278128161 BUBBJIIGYYWJNI-GTNSWQLSSA-N 253.371 1.184 0 50 CDAA Cc1ccncc1[C@@H](C)NC(=O)c1ccc2c(c1)B(O)OC2 584969094 AXKBWZCSKADAMB-LLVKDONJSA-N 296.135 1.099 0 50 CDAA CC(C)(C)n1ncc(C(N)=O)c1I 585121375 NKNHNTXIDNLDJX-UHFFFAOYSA-N 293.108 1.342 0 50 CDAA Cc1cc(C(=O)NC(C)(C)c2cnn[nH]2)ns1 585129872 AIMOTJGMIMANDX-UHFFFAOYSA-N 251.315 1.235 0 50 CDAA COc1ccccc1CN[C@@H](C)[C@H]1CN(C)CCN1C 585117530 JRCYAESXUDYRND-DZGCQCFKSA-N 277.412 1.419 0 50 CDAA CCCc1cc(C(=O)NC[C@@H](O)c2ccccc2F)[nH]n1 304494084 MYFPMTCPOQVMNV-CQSZACIVSA-N 291.326 1.965 0 50 CDAA CCOC[C@@H]1CCN(C(=O)CCN(CC)CC)C1 408522255 GGYFTRMSAKKERP-CYBMUJFWSA-N 256.390 1.603 0 50 CDAA CCOCCN(C)C[C@@](C)(O)CNC(=O)OC(C)(C)C 408516915 QSKCXJDJGCNHAC-AWEZNQCLSA-N 290.404 1.230 0 50 CDAA O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(F)c1 225195983 BNUYCWMAIOAPGU-NWDGAFQWSA-N 296.317 1.558 0 50 CDAA C[C@@](CO)(NC(=O)Nc1ccncn1)C1CCCCC1 190709076 OPQMRSGYIOWYSI-AWEZNQCLSA-N 278.356 1.929 0 50 CDAA Cc1cc(C)n2c(SCCCC(=O)N(C)C)nnc2n1 191496168 SARCBXAKIHLFHM-UHFFFAOYSA-N 293.396 1.702 0 50 CDAA CC[C@@H](C(=O)OC(C)(C)C)N1CCCN(C(N)=O)CC1 191983550 WBTSPQCORQKOCG-NSHDSACASA-N 285.388 1.193 0 50 CDAA Cn1cc([C@H]2CSCCN2C(=O)c2ccncc2)cn1 192001437 QQODLRBHYUPWQQ-CYBMUJFWSA-N 288.376 1.745 0 50 CDAA CCO[C@H]1C[C@@H]1C(=O)NCc1ccccc1-n1ccnc1 194282177 FTOKZARFBVMPTQ-ZFWWWQNUSA-N 285.347 1.914 0 50 CDAA Cc1ccc(Cn2cc(CCN3CCOCC3)nn2)o1 656448706 XYKGUXXFRGJDMS-UHFFFAOYSA-N 276.340 1.103 0 50 CDAA COc1ccc(-c2cn(Cc3nnc(C)o3)nn2)cn1 656446708 YTQHCNOCVOTCPT-UHFFFAOYSA-N 272.268 1.088 0 50 CDAA CO[C@@](C)(C(=O)N[C@@H](C)CC(=O)O)c1ccccc1F 668272401 CUWZYIQKJCYPCH-LKFCYVNXSA-N 283.299 1.667 0 50 CDAA Cc1ncn(CCNc2cccc(C(=O)N(C)C)n2)c1C 1506419519 RJSGVESGDKBRIK-UHFFFAOYSA-N 287.367 1.709 0 50 CDAA Cc1nc(CN2CCN3[C@@H](C)COC[C@H]3C2)sc1C 1875247954 WJYKYIDHVLGANZ-GXFFZTMASA-N 281.425 1.665 0 50 CDAA COc1cc(C(=O)O)ccc1NC(=O)[C@H]1CCCO1 217131461 FASGGRFMWAHNAC-SNVBAGLBSA-N 265.265 1.511 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2cc(F)cc(F)c2)CC[C@@H]1O 1704304583 HDFSKGMPGQCIEJ-DDTOSNHZSA-N 299.317 1.757 0 50 CDAA CCCc1nc(C(=O)NCC2(CC(N)=O)CC2)co1 421600601 KXIFOFJFCDVWES-UHFFFAOYSA-N 265.313 1.013 0 50 CDAA CC(=O)NC1CCC(NCCn2cc(C)cn2)CC1 133337812 IOUDCBCFXOHYGJ-UHFFFAOYSA-N 264.373 1.228 0 50 CDAA CN(CC1(O)CCC1)C(=O)CCc1cncs1 346667843 GZOCBJFWCQRGNT-UHFFFAOYSA-N 254.355 1.449 0 50 CDAA COc1cc(C(=O)N[C@H]2C[C@H](C)O[C@H](C)C2)on1 248491742 OEFKJKAIGLCNPK-AYMMMOKOSA-N 254.286 1.369 0 50 CDAA O=C(NCCO)c1cc(F)ccc1Br 16159564 JWEKNEISRBEANX-UHFFFAOYSA-N 262.078 1.310 0 50 CDAA in-vitro COc1cc(Cl)ccc1C(=O)N1C[C@H]2C[C@@]2(CO)C1 783818753 NRGAELOMLOTUEV-OTYXRUKQSA-N 281.739 1.803 0 50 CDAA Cc1cnc2c(cnn2CC(=O)N[C@@H]2CCNC23CCC3)c1 1615550626 YMIUJMLCYRNHIO-CYBMUJFWSA-N 299.378 1.141 0 50 CDAA COc1ccc(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)o1 1615549579 RTUWCPIVTZOJPX-SECBINFHSA-N 281.230 1.720 0 50 CDAA O=C(NC1CC2(CCC2)C1)N1C[C@@H]2COC[C@]2(C(=O)O)C1 1615614390 FQTXODDRVPRCAR-MEBBXXQBSA-N 294.351 1.062 0 50 CDAA CCCN(CC(=O)O)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 216589049 LQRJGAWJTAJMLS-FRRDWIJNSA-N 284.400 1.724 0 50 CDAA Cn1cnc2cc(C(=O)N3C[C@H]4C[C@@]4(C)C3)ccc2c1=O 1772814611 JYIWPPGSWUHBDD-BZNIZROVSA-N 283.331 1.416 0 50 CDAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1ccns1 1775978081 PGIXIPQXFMJLDA-UWVGGRQHSA-N 251.355 1.500 0 50 CDAA Cn1ncc2c(Nc3ccc4c(c3)OCCO4)ncnc21 5348676 LYKZSIQRKIXZRL-UHFFFAOYSA-N 283.291 1.878 0 50 CDAA CCOc1ccc(C(=O)NCCOC)c(OCC)c1 14646794 QPZMAJVELDIXDF-UHFFFAOYSA-N 267.325 1.860 0 50 CDAA CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(C)CC1 16603140 LJYSKIOSRGFNKG-AWEZNQCLSA-N 280.343 1.757 0 50 CDAA CCCN(C)S(=O)(=O)c1cccc(C(=O)NC(C)C)c1 16622168 BLAZAIAIXFGTIZ-UHFFFAOYSA-N 298.408 1.855 0 50 CDAA O=[P@](O)(CCc1ccccc1)CN1CCOCC1 19730817 JPXGXTNVFZQRPA-UHFFFAOYSA-N 269.281 1.789 0 50 CDAA CC(C)(CO)CN1CCC[C@@H](N2CCC(CO)CC2)C1 19794597 FOMMSUURWXOQMF-OAHLLOKOSA-N 284.444 1.174 0 50 CDAA CC(C)c1nc(N2CCSCC2)ncc1C(=O)O 169751151 PKGPDQFCFFFDOJ-UHFFFAOYSA-N 267.354 1.851 0 50 CDAA C[C@@H]1CN(Cc2coc3ccccc23)C[C@H]1C(N)=O 408473869 NWKZEAKARRQGAN-ZWNOBZJWSA-N 258.321 1.986 0 50 CDAA 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CO[C@H]1C[C@@H](CO)N(c2nc(C)cc(C(F)(F)F)n2)C1 343683879 KRDIBOCOMSXWRW-IUCAKERBSA-N 291.273 1.390 0 50 CDAA Cc1cc([C@H]2CCCN(CC(=O)NCC3CC3)C2)n[nH]1 364428170 VVFSCFFBNIDUAY-ZDUSSCGKSA-N 276.384 1.424 0 50 CDAA COc1ccc(CN(C)Cc2ncon2)cc1F 824721359 JBFRFCWTPSVOIX-UHFFFAOYSA-N 251.261 1.849 0 50 CDAA CCCc1nc(NC(=O)Cc2n[nH]c3ccccc23)n[nH]1 2100545623 XCGHAHICYHSMJO-UHFFFAOYSA-N 284.323 1.815 0 50 CDAA O=C(O)[C@]1(n2ncc(C3CC3)n2)C[C@@H]2CSC[C@@H]2C1 2325789559 XQTAPKSCVQROLJ-IWIIMEHWSA-N 279.365 1.708 0 50 CDAA CCc1nc(C)cc(N2CCN(c3ccc(O)nc3)CC2)n1 2325802435 HEPXAKXBKSZJLI-UHFFFAOYSA-N 299.378 1.775 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccccn2)S1 89920 JALMEGPCCCJTTG-GFCCVEGCSA-N 278.337 1.257 0 50 CDAA CC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1 146421 LLRTYNPSGQWCLZ-UHFFFAOYSA-N 296.172 1.635 0 50 CDAA CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OC 332185 MRXBOWXJVSOPQX-ZDUSSCGKSA-N 290.319 1.886 0 50 CDAA O=CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1 443134 JOTOBNZYAXOXPH-UHFFFAOYSA-N 298.342 1.519 0 50 CDAA CNC(=O)C[C@@H](C(=O)O)c1ccc(OC(C)C)cc1 506768 POZAHQSKLPOHIP-GFCCVEGCSA-N 265.309 1.778 0 50 CDAA Cc1ccc(-c2c(=O)n(O)c3ccccc3[n+]2[O-])cc1 547657 FNURXHXXCLPBFS-UHFFFAOYSA-N 268.272 1.848 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](N)C[C@@H]1C 131762280 GVVRWMZKFXYUOR-CMPLNLGQSA-N 286.372 1.634 0 50 CDAA COc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 815542 KXKXSCJLIAROCH-UHFFFAOYSA-N 279.321 1.594 0 50 CDAA C[C@H]1CS(=O)(=O)C[C@@H]1OC(=O)CCc1ccccc1 2238493 WOWYOBYANBNSDC-AAEUAGOBSA-N 282.361 1.596 0 50 CDAA COc1ccc(OC)c(CN2CCC[C@@H](O)C2)c1 2490720 JAITZLCJEAIXBU-GFCCVEGCSA-N 251.326 1.661 0 50 CDAA Cc1ccc(SCC(=O)NCCN(C)C)cc1 2866786 OOQHZNPVUALYCZ-UHFFFAOYSA-N 252.383 1.765 0 50 CDAA CCOc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1 2892166 JHWPBDVIFIDCAS-UHFFFAOYSA-N 299.330 1.735 0 50 CDAA CCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 2904081 GRPBQPSMZMAZOR-UHFFFAOYSA-N 260.215 1.780 0 50 CDAA Cc1cccc(CNC(=O)C(=O)NCCc2ccccc2)c1 3005513 APPCJEQNMCCGFO-UHFFFAOYSA-N 296.370 1.970 0 50 CDAA CN(C)c1nc(=Nc2cccc(-n3cccn3)c2)[nH]n1C 2356160302 LVTLQPZOLGYDTN-UHFFFAOYSA-N 283.339 1.232 0 50 CDAA Cn1nnnc1SCCNCc1ccccc1Cl 4998031 USXKNIHECQCJDF-UHFFFAOYSA-N 283.788 1.745 0 50 CDAA O=C(C[C@H]1SCCNC1=O)Nc1ccccc1F 6701743 HHCOIUGMTUBQBU-SNVBAGLBSA-N 268.313 1.386 0 50 CDAA CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 7374481 MXERDVDDPIOSLK-UHFFFAOYSA-N 255.217 1.493 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)CCN1CCCCO1 55252675 MCTXOUOVRNQNQX-UHFFFAOYSA-N 280.372 1.103 0 50 CDAA Cc1ccc(C[C@@H]2C(=O)N(CC(=O)O)C(=O)[C@H]2C)cc1 100807304 HDUBPAHYXQMZBB-JQWIXIFHSA-N 275.304 1.243 0 50 CDAA CC(C)OCCc1nc2c([nH]1)CC(C)(C)CNC2=O 65503562 PNKJQNCIHFMUMN-UHFFFAOYSA-N 265.357 1.689 0 50 CDAA COCc1cc(=O)n2ncc(-c3ccccc3)c2[nH]1 100065223 JKGRSIKASFPYLK-UHFFFAOYSA-N 255.277 1.836 0 50 CDAA NC[C@@H]1Cc2cc(-c3ccnc(N)c3)cc(F)c2O1 67789491 OCKAPYWOAZXUPL-NSHDSACASA-N 259.284 1.732 0 50 CDAA Cc1cc(CC(=O)NCc2ccnc(N(C)C)c2)n[nH]1 119377094 HERSPBGPLSBBGO-UHFFFAOYSA-N 273.340 1.038 0 50 CDAA COc1ccc(O)c([C@@H]2CC(=O)Nc3n[nH]cc32)c1 65411011 PSULAODLKGSNSM-QMMMGPOBSA-N 259.265 1.598 0 50 CDAA Cc1cnccc1N1CCN(CCN2CCCC2=O)CC1 1506398642 OTZCYLTUURWTLG-UHFFFAOYSA-N 288.395 1.134 0 50 CDAA Cc1cccc(-n2ccc3c(nnc4ncnn43)c2=O)c1C 67630797 CVQDAEROSJXAPZ-UHFFFAOYSA-N 292.302 1.440 0 50 CDAA O=C(CCc1ccncc1)NCCCn1ccnc1 63663154 QDACNLNBYUYYCU-UHFFFAOYSA-N 258.325 1.417 0 50 CDAA CCOC(=O)c1cc2c(nc1N)COC(C)(C)C2 22130633 BYSVNAHJEQTNGT-UHFFFAOYSA-N 250.298 1.692 0 50 CDAA CN1CCCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1=O 252548613 QGYADSNPXWMPLW-UHFFFAOYSA-N 289.310 1.611 0 50 CDAA CSCC(C)(C)C(=O)NS(=O)(=O)c1ccccn1 252503230 UZTRRLLULSKOMC-UHFFFAOYSA-N 288.394 1.276 0 50 CDAA CO[C@@H]1C[C@@H]2C(=O)N([C@@H](C)C(C)(C)C)C(=O)N2C1 252572628 ZOGZJFDQJGVTDR-IVZWLZJFSA-N 254.330 1.473 0 50 CDAA O=C(N[C@H]1[C@H]2CCC[C@H]21)N1CC[C@H](CN2CCCC2)C1 426748030 UHCLLMQBXBXWOW-APIJFGDWSA-N 277.412 1.912 0 50 CDAA O=C1c2ccc(-n3cnnc3)cc2C(=O)N1C[C@H]1CCCO1 65504377 IRGXWCVAMDZTEM-LLVKDONJSA-N 298.302 1.042 0 50 CDAA C=CC(=O)Nc1cccc2c1CCN2S(C)(=O)=O 863971538 XYKXQROXOYGHDL-UHFFFAOYSA-N 266.322 1.133 0 50 CDAA COc1ccccc1[C@@H]1CCCN1C(=O)C[C@H](CN)CO 328598338 LNAPFLLMMAUWTH-OCCSQVGLSA-N 292.379 1.316 0 50 CDAA CN(CC1CC1)C[C@H]1CN(Cc2cncnc2)CCO1 328641237 QMZXTYQZXQDYGF-HNNXBMFYSA-N 276.384 1.019 0 50 CDAA COCCC1(CNC(=O)c2cccnc2S)CC1 129822143 TWKOJSMVTIJCRG-UHFFFAOYSA-N 266.366 1.917 0 50 CDAA Cn1c(CSc2nncn2C2CC2)nnc1C1CC1 328822703 QWQIYUVXZANOFQ-UHFFFAOYSA-N 276.369 1.911 0 50 CDAA CC(C)[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)O 166191 WOXSVTDTUYOOQZ-SNVBAGLBSA-N 291.756 1.728 0 50 CDAA Cc1nc2ccc(C(=O)N3CCC(=O)N(C)CC3)cc2o1 216196362 KTGIZGOSSOAWFX-UHFFFAOYSA-N 287.319 1.441 0 50 CDAA CC1(C)CN(C[C@H](O)Cn2cccn2)[C@@H]1[C@H]1CCCO1 329856529 UWQIHDXGDOXTNC-BFHYXJOUSA-N 279.384 1.133 0 50 CDAA C[C@@]1(NC(=O)COc2ccccc2O)CCCOC1 330656645 OZBRYHLTNFSYFA-CQSZACIVSA-N 265.309 1.456 0 50 CDAA C[C@H](NC(=O)[C@@H]1CCC[C@H](N)C1)[C@@H]1CCCCN1 521398774 WHKCAGZAXLOIJQ-RNJOBUHISA-N 253.390 1.151 0 50 CDAA O=C(N[C@@H](CCO)C1CCOCC1)c1ccncc1Cl 330889367 GXDQNMJRFJERSF-ZDUSSCGKSA-N 298.770 1.642 0 50 CDAA O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccnc1S 154020189 KBMVIRNVYUPABB-OLZOCXBDSA-N 286.356 1.758 0 50 CDAA Cc1cc(S(=O)(=O)NCCCO)c(Cl)cc1Cl 36638910 LRGSHECRQQXSNF-UHFFFAOYSA-N 298.191 1.963 0 50 CDAA OCC(CO)N1CCC[C@@H](CCc2ccccc2F)C1 71707806 AGORSBWBZHMRIL-ZDUSSCGKSA-N 281.371 1.824 0 50 CDAA C[C@@H](COc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O 237475873 PQGVNHYGAWMUTC-WCQYABFASA-N 277.320 1.777 0 50 CDAA CC(C)n1nccc1NC(=O)N1CCC[C@H](CO)C1 43451993 QNCYKRDYSVRJAC-NSHDSACASA-N 266.345 1.700 0 50 CDAA CN(C)CCNC(=O)C1(c2ccccc2)CCOCC1 71376368 WHSWQKKSNUOYKG-UHFFFAOYSA-N 276.380 1.413 0 50 CDAA O=C(NC[C@@H]1CCC[C@H]1O)c1cnc(OCC2CC2)cn1 286235169 TUIPNXOHAHKYKO-WCQYABFASA-N 291.351 1.156 0 50 CDAA CC(C)c1cc(N2CC[C@@H](N(C)C)C2)n2nccc2n1 72434216 LLGGZXXQOZEXTL-GFCCVEGCSA-N 273.384 1.993 0 50 CDAA CCN1CC2(CCN(C(=O)c3cc[nH]c3C)CC2)CC1=O 72463423 LVUPMRRSNGPRIC-UHFFFAOYSA-N 289.379 1.798 0 50 CDAA Cc1ccc(C(N)=O)c(N[C@H](C)c2ccncn2)n1 32533038 RHNJSZIKGVNWAU-SECBINFHSA-N 257.297 1.452 0 50 CDAA COCc1nc(C)c(CNc2ncncn2)s1 219751563 OIXJQGHQVWUCFX-UHFFFAOYSA-N 251.315 1.395 0 50 CDAA CC(C)n1cnc(C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c1 239591335 BAWYBIQFWUWJEF-WFASDCNBSA-N 293.367 1.484 0 50 CDAA COCc1cccc(CN2C[C@@H](C)[C@H](C(N)=O)C2)c1 284995976 YGBMFPYTNMSYAT-BXUZGUMPSA-N 262.353 1.386 0 50 CDAA COCC[C@@H]1CCCCN(C[C@H]2CCS(=O)(=O)C2)C1 241965752 UVIGCKKYVRJHBO-UONOGXRCSA-N 289.441 1.560 0 50 CDAA C[C@@H](NC(=O)c1cncc(O)c1)C1=CCN(C)CC1 285714913 FDVMYGBGFBSNAG-SNVBAGLBSA-N 261.325 1.167 0 50 CDAA Cc1cc(F)cc(C(=O)N[C@@H]2CCCN(C)C2)c1 608127127 JNAMYVSSYXOOMB-CYBMUJFWSA-N 250.317 1.958 0 50 CDAA CSc1nc(N)cc(N[C@@H](C)c2nncn2C)n1 132507987 CVYZVWAQPXGZFX-LURJTMIESA-N 265.346 1.082 0 50 CDAA Cc1cn2cc(C(=O)N3CC[C@H](N(C)C)C3)ccc2n1 82108866 OKOVLFYGAGJTLF-ZDUSSCGKSA-N 272.352 1.419 0 50 CDAA C[C@H](C(=O)O)N1CCCN(Cc2ccc(F)cc2)CC1 225448708 JOUZZUXBZIFPPK-GFCCVEGCSA-N 280.343 1.807 0 50 CDAA O=S(=O)(c1ccc(Br)cc1)n1cncn1 196336395 ZZMSDYMJUXTMPB-UHFFFAOYSA-N 288.126 1.278 0 50 CDAA CC[C@H](NC(=O)c1ccc(F)c(O)c1)C1CC(O)C1 220058524 QSARNQGSHKQDAI-CBINBANVSA-N 267.300 1.811 0 50 CDAA Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](CN)C2)cc1 178556459 LPVSALNRXDSZAR-QWHCGFSZSA-N 262.353 1.570 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)COC(=O)C2 147660166 AHKBUIGOMZWYMG-UHFFFAOYSA-N 255.314 1.951 0 50 CDAA O=C(Nc1ccc(Cl)nc1)N1CC(N2CCOCC2)C1 96180642 JZZGHJYFFDPSLF-UHFFFAOYSA-N 296.758 1.283 0 50 CDAA Cc1csc(CCCNC(=O)[C@@H](C)N(C)C)n1 426443393 ODSMHJQSBQWCEU-SNVBAGLBSA-N 255.387 1.450 0 50 CDAA Cc1nc(CCN(C)C(=O)CC[C@H]2CCCN(C)C2)no1 92045745 PTDBGVZTQXFKHQ-CYBMUJFWSA-N 294.399 1.501 0 50 CDAA c1cn2cc(-c3nc([C@H]4CCOC4)no3)ccc2n1 96141635 RHEMJHZTIOPQAG-JTQLQIEISA-N 256.265 1.888 0 50 CDAA Cc1nn(C)c(C(=O)NC[C@@H]2CCCOC2)c1Cl 426578532 DHMYBXHKLYEEIR-VIFPVBQESA-N 271.748 1.538 0 50 CDAA O=C(c1cc(Cl)c[nH]1)N1CCOC[C@@H]1c1ncon1 331460508 KLODSTPJBFRXSE-SECBINFHSA-N 282.687 1.265 0 50 CDAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)CCC(N)=O)C1 95352872 MRYQSDAGFKBYRR-LBPRGKRZSA-N 292.383 1.436 0 50 CDAA CC1(C)OC[C@@H](COC(=O)C(C)(C)Br)O1 95100116 BXRUOWPXJMBIIZ-SSDOTTSWSA-N 281.146 1.855 0 50 CDAA CC(C)(C(=O)N1CCC(c2cnc[nH]2)CC1)c1cnc[nH]1 621904390 MHQXJDNWZTZLAL-UHFFFAOYSA-N 287.367 1.817 0 50 CDAA CCN1CCC[C@H]1Cn1ncc2ccccc2c1=O 95378792 JHIWODQGDGOHCN-ZDUSSCGKSA-N 257.337 1.881 0 50 CDAA COC(=O)c1ccc(-c2cccc(C(N)=O)c2)cn1 97756980 QVTWVMNAYULQNO-UHFFFAOYSA-N 256.261 1.634 0 50 CDAA CCCC[C@@H](NC(=O)c1oc(CC)nc1C)C(N)=O 97402567 OERPYUPWZSHUHV-SECBINFHSA-N 267.329 1.319 0 50 CDAA CC[C@H](C(=O)NCCCc1ccccn1)n1cccn1 91678833 FFLPUYGOEJDNAZ-CQSZACIVSA-N 272.352 1.978 0 50 CDAA N[C@H]1CN(C2CCN(C(=O)C3CCC3)CC2)C[C@@H]1C1CC1 91416835 ACLHQWHYLNVWLP-CVEARBPZSA-N 291.439 1.447 0 50 CDAA CCN(C)C[C@@H]1CN(Cc2cccnc2)C[C@@H]1CO 91847797 JGJDXVGTASJHEO-HUUCEWRRSA-N 263.385 1.074 0 50 CDAA Cn1ccnc1-c1nccn1C[C@@H](O)c1cccnc1 91574399 XLGBCWKMBPADPR-GFCCVEGCSA-N 269.308 1.412 0 50 CDAA 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298.408 1.314 0 50 CDAA COc1coc(C(=O)N2CCC3(CCCO3)CC2)cc1=O 72135179 OXBFQGVXKGIOJX-UHFFFAOYSA-N 293.319 1.434 0 50 CDAA C[C@@H]1CCCN(Cc2cnc(N(C)C)nc2)[C@@H]1C(=O)O 424417942 MPZAVTLZJXOHAS-PWSUYJOCSA-N 278.356 1.228 0 50 CDAA Cc1ccc(SCC(=O)N[C@H]2CCSC2=O)nc1 173330114 QQFZKTOJYMUIQA-VIFPVBQESA-N 282.390 1.630 0 50 CDAA CCCc1cnc(C)nc1NC[C@@H]1CCNC[C@H]1O 72454438 NWHIYIQTGIKMIH-WCQYABFASA-N 264.373 1.120 0 50 CDAA Cc1ncc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)s1 328590599 SOUGRWDTYAEPDF-PWSUYJOCSA-N 272.414 1.699 0 50 CDAA COCc1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)o1 330554560 GREASDXXAJORMA-AAEUAGOBSA-N 296.367 1.217 0 50 CDAA COCc1ncsc1C(=O)N1CCOCC12CC2 328905428 JZARUKOJRDAATR-UHFFFAOYSA-N 268.338 1.295 0 50 CDAA O=C([C@@H]1CC[C@H](NCC2=CCCOC2)C1)N1CCCC1 369713129 AGOSKSZAGNSMFZ-CABCVRRESA-N 278.396 1.714 0 50 CDAA COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 368722922 ACGDPGSERHVTPG-CXOVXGEYSA-N 295.379 1.338 0 50 CDAA CCC[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nccn1C 219815653 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238202125 BHMHOMGSOSRYJI-JTQLQIEISA-N 283.349 1.807 0 50 CDAA O=C(Cc1ccsc1)NCCSc1ncn[nH]1 220315387 GTGIQIGIRMPVMH-UHFFFAOYSA-N 268.367 1.317 0 50 CDAA CC[S@](=O)c1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263352814 WDQFLZHXPNHDAN-AUKWLOTRSA-N 295.360 1.407 0 50 CDAA Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]2CO)cc1C 240225324 DHEHUSFYRRZHNW-HOCLYGCPSA-N 290.407 1.937 0 50 CDAA C[C@](O)(CNc1cnc2cc(F)c(F)cc2n1)C(=O)O 263561817 SEKBWHJEEKULAB-LBPRGKRZSA-N 283.234 1.156 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)c1ncccc1C(F)(F)F 263574226 NKOXVKHVRSOKDU-LURJTMIESA-N 276.214 1.646 0 50 CDAA O=C(COc1cccnc1)NCc1nc2ccccc2o1 223606140 OONOCALKXVPZCG-UHFFFAOYSA-N 283.287 1.918 0 50 CDAA CSC[C@H](NC(=O)Cc1n[nH]c2ccccc12)C(=O)O 426359529 BTRVEKNTGYOVMO-NSHDSACASA-N 293.348 1.038 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)/C=C/c1ccccc1 223663797 KTMOLKVRVALIPM-GODNBWANSA-N 261.321 1.620 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N[C@@H]2Cc3ccccc3NC2=O)O1 529945783 UDKWYVOZJKXVBU-OASPWFOLSA-N 274.320 1.234 0 50 CDAA O=C1N(Cc2ccc(F)cc2)CCN1C1CCNCC1 45796141 NZKBYMDQMAXAIK-UHFFFAOYSA-N 277.343 1.815 0 50 CDAA CC[C@H](NC(=O)c1ccnnc1)c1cn2cccnc2n1 220089140 NIKLNBIBPWLORD-NSHDSACASA-N 282.307 1.400 0 50 CDAA N=c1[nH]nc(CCCNC(=O)c2cc(Cl)c[nH]2)s1 426573329 VMRPVJFJYWZOCM-UHFFFAOYSA-N 285.760 1.295 0 50 CDAA Cc1ncn(CCNC(=O)CC2CCN(C)CC2)c1C 426621535 BUXLWSAOZSCIBO-UHFFFAOYSA-N 278.400 1.348 0 50 CDAA CNC(=O)CCN(C)C(=O)[C@H](c1ccccc1C)N(C)C 95518098 MNOJNXBUSCESTI-HNNXBMFYSA-N 291.395 1.192 0 50 CDAA O=C(CN1CCOC1=O)N1CC[C@@H](Oc2ccccc2)C1 426712820 VFDUNWKMIOKOIH-CYBMUJFWSA-N 290.319 1.119 0 50 CDAA CN(C)[C@@H]1C[C@@H](CO)N(Cc2ccc(F)c(F)c2)C1 97696315 ARSFVYDTERABQV-NEPJUHHUSA-N 270.323 1.462 0 50 CDAA Cc1nc(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c[nH]1 97610066 IZPFAOLZAXVHMK-ZDUSSCGKSA-N 290.411 1.941 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)n(C)n1 92078493 SKYGVODFMQKUTE-MRXNPFEDSA-N 291.395 1.743 0 50 CDAA CCCc1cc(C(=O)N2CCc3ncccc3C2)[nH]n1 91350611 PCTANOHGZFFDEL-UHFFFAOYSA-N 270.336 1.956 0 50 CDAA Cc1cccc(CN(C)CCN2CCCCC2=O)n1 97447067 RHOGKRZOVPPLPF-UHFFFAOYSA-N 261.369 1.834 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 246758313 PYAZOUVPZODDAK-BLFANLJRSA-N 270.398 1.749 0 50 CDAA O=C1NN(c2ccccc2)C(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C12CC2 245324874 BJPZUEXALUFMBP-MQYQWHSLSA-N 280.327 1.893 0 50 CDAA CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 242906613 GQURNALLWGFIGP-RWMBFGLXSA-N 250.342 1.113 0 50 CDAA COc1ccnc(C(=O)N(C)Cc2cc(C3CC3)[nH]n2)c1 252497565 QKGXDSPUJITHLO-UHFFFAOYSA-N 286.335 1.963 0 50 CDAA CCN1CCC(NC(=O)N[C@@H](C)c2ccccn2)CC1 298569109 BHGMEZNTERXODT-LBPRGKRZSA-N 276.384 1.926 0 50 CDAA C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C 526061581 CBRJPFGIXUFMTM-WDEREUQCSA-N 285.351 1.935 0 50 CDAA in-vitro Cn1cccc1[C@H]1CCCN1C(=O)CN1CCCCC1=O 299210393 FSUNKKICVQKHNR-CQSZACIVSA-N 289.379 1.701 0 50 CDAA Cc1ocnc1C(=O)NCC1(Cn2cccn2)CC1 534574563 WFNQPMONHMLORG-UHFFFAOYSA-N 260.297 1.390 0 50 CDAA Cc1ccccc1[C@@H](CNC(=O)C1(CO)CC1)N(C)C 534580351 QQNFDRBLXPXKOJ-CQSZACIVSA-N 276.380 1.486 0 50 CDAA [C-]#[N+][C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 201888190 BKIKQJPOJKHOPE-BDAKNGLRSA-N 254.286 1.457 0 50 CDAA Cc1ncsc1-c1nccn1C[C@@H]1COCCO1 1940198318 FFYNXRMNJQCWKW-SNVBAGLBSA-N 265.338 1.730 0 50 CDAA CNc1nccnc1N1CC2(COc3ccccc3C2)C1 1940198410 PDVKUZMDTHTLOW-UHFFFAOYSA-N 282.347 1.960 0 50 CDAA CC[C@H](NC(=O)CCCn1ccnc1)c1ncnn1CC 299782261 SMFPNDOXMWCUPO-LBPRGKRZSA-N 290.371 1.542 0 50 CDAA CC(C)N(C)C[C@H](C)NCc1cccc(CO)c1 828827587 JNWQNCLNTKQRBR-ZDUSSCGKSA-N 250.386 1.997 0 50 CDAA CCn1nc(C)c([C@@H](C)NC(=O)C2(C(=O)O)CC2)c1C 823593475 YJLLEATXSAFBBH-MRVPVSSYSA-N 279.340 1.562 0 50 CDAA Cc1cnc(CN(C)C[C@H]2CCN(C)C2(C)C)cn1 823690291 UJUANCQCHAFVCK-CYBMUJFWSA-N 262.401 1.947 0 50 CDAA CO[C@@H]1CCOC[C@H]1n1cnc2c(C)csc2c1=O 584890748 NXECKRIEQHNREZ-NXEZZACHSA-N 280.349 1.743 0 50 CDAA O=C(N[C@@H]1CCc2cc(F)ccc21)[C@H]1C[C@H]1C(=O)O 268916515 QKSFQEJGHCKRBC-QJPTWQEYSA-N 263.268 1.650 0 50 CDAA O=C(CCCc1cn[nH]c1)NCc1cncn1C1CC1 584889521 ZWDPMZDGTOPNDG-UHFFFAOYSA-N 273.340 1.580 0 50 CDAA CCO[C@H](CCNC(=O)O[C@H]1CNOC1)C1CCCC1 864094060 CBODFARHCCPIDO-QWHCGFSZSA-N 286.372 1.601 0 50 CDAA COc1cccc2c(=O)n(CCc3cnn(C)c3)cnc12 584885183 CZAYCLSEHXWIRY-UHFFFAOYSA-N 284.319 1.381 0 50 CDAA CO[C@H]1CN(C(=O)C=C(C2CC2)C2CC2)[C@@](C)(CO)C1 864233118 GRRIHOJJKQUHEP-CZUORRHYSA-N 279.380 1.731 0 50 CDAA Cc1nc[nH]c1C(=O)NC[C@H]1CCCN1C(C)C 670460465 XJAZPMGBYKHIBR-LLVKDONJSA-N 250.346 1.321 0 50 CDAA COc1ccnc(N(C)Cc2noc(C3CCC3)n2)n1 670441463 GUOBHQULJNPTMV-UHFFFAOYSA-N 275.312 1.772 0 50 CDAA CC(C)(C)C(=O)N1CCOc2nc(CCCO)ccc21 66054253 KMWBSQKPVMDJTI-UHFFFAOYSA-N 278.352 1.778 0 50 CDAA in-vitro C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1occc1C(=O)O 871993129 LJKSLAQIDIZRLH-QMMMGPOBSA-N 299.348 1.929 0 50 CDAA CC(C)c1noc(=O)n1CC(=O)NC1CCCC1 1875391573 DAYTYSQVNQUKBT-UHFFFAOYSA-N 253.302 1.019 0 50 CDAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)CS1 1875300512 GGYKRPMEPVWGOX-MBXMOIHESA-N 255.339 1.107 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc(OC(C)(C)C)cn1 1875273287 LZYZIVWHHVQNTR-AATRIKPKSA-N 292.335 1.718 0 50 CDAA CN[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 133216009 ANNBWOIHILZCRP-CYBMUJFWSA-N 280.343 1.805 0 50 CDAA N[C@@H]1CN(C(=O)c2ccc3[nH]ccc3n2)CC12CCC2 1775962141 VJSJOCPIAJMGOG-CYBMUJFWSA-N 270.336 1.516 0 50 CDAA CC(C)[C@H]1CN(C(=O)NC2CCCC2)C[C@@H]1C(=O)O 1565526395 UECQJJQAOBLJGD-NEPJUHHUSA-N 268.357 1.927 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)N(C[C@@H]2CCCN2)C2CC2)C1 186496105 UESOBKZPHSOEKD-UPJWGTAASA-N 265.401 1.247 0 50 CDAA COc1ccccc1CN(C)c1nc(=O)c2cn[nH]c2[nH]1 170598779 ZKAVXYIJSYZDLD-UHFFFAOYSA-N 285.307 1.291 0 50 CDAA CCC[C@@]1(C)C(=O)NCCN1Cc1nnc(CC)o1 187349370 GTRSLOROIPQCCE-ZDUSSCGKSA-N 266.345 1.123 0 50 CDAA CC[C@@H](C(=O)O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1 191417563 JDVDHKZKFUBYIH-NEPJUHHUSA-N 284.400 1.724 0 50 CDAA Cn1cc(NC(=O)N2CCC[C@@H]2c2cccnc2)nn1 565573665 KASVCSFDPQARRQ-LLVKDONJSA-N 272.312 1.579 0 50 CDAA C[C@H](CC1CCCCC1)NCCS(=O)(=O)N(C)C 67472944 RTDIYZLEEWNLAP-GFCCVEGCSA-N 276.446 1.826 0 50 CDAA O[C@@H]1C[C@H](Nc2ncc(Cl)cc2F)[C@H]1n1cccn1 664113014 FPCVFQXEHFELBM-HBNTYKKESA-N 282.706 1.857 0 50 CDAA CC(C)CO[C@H](C)C(=O)Nc1ccc(CO)c(CO)c1 585130926 GDBXDYSJVMPZIC-LLVKDONJSA-N 281.352 1.671 0 50 CDAA CCCC(CCC)C(=O)N(CCO)Cc1ncc[nH]1 1704304145 AUEKDDRGQYPHML-UHFFFAOYSA-N 267.373 1.947 0 50 CDAA CN1CCC[C@]2(CO)CCN(Cc3ccncc3)C[C@@H]12 1704339301 QIIMUZLVTMFGRN-HZPDHXFCSA-N 275.396 1.360 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1ncoc1C1CC1 1608492076 YHMVPZZRVSHUOE-RGOKHQFPSA-N 276.292 1.391 0 50 CDAA COc1ccc(C2=NN(CCO)C(=O)CC2)c(Cl)c1 634584737 LQADGXXUHKLXDE-UHFFFAOYSA-N 282.727 1.667 0 50 CDAA C[C@@H]1CCN(C(=O)[C@]2(O)C[C@H]3CC[C@H]2C3)CCS1 1615586447 ODCHPEQVUDPLMB-UHXUPSOCSA-N 269.410 1.892 0 50 CDAA CCc1ccc(CN2CCCC[C@H]2C(=O)NC)nc1 215614400 VPQKOUAISAVWLJ-AWEZNQCLSA-N 261.369 1.745 0 50 CDAA c1ccc2c(c1)nnn2COCn1nnc2ccccc21 5520746 NLYMFVAJFDXBGQ-UHFFFAOYSA-N 280.291 1.808 0 50 CDAA Nc1cc(=O)[nH]c(SCC(=O)c2ccccc2)n1 13424394 LRJYNLYKXXGVGP-UHFFFAOYSA-N 261.306 1.327 0 50 CDAA Cc1scc(C(=O)NCCN2CCOCC2)c1C 13744423 YUKOEQXKQCFHJY-UHFFFAOYSA-N 268.382 1.427 0 50 CDAA COC(=O)[C@@H]1[C@H](O)CCCN1CC=Cc1ccc(F)cc1 1857533315 GNPIIJANHDIJPC-CABCVRRESA-N 293.338 1.837 0 50 CDAA C[C@H]1CN2C[C@@H](NC(=O)c3cccs3)C[C@H]2CO1 1857719275 IIXKNLBIICYXOC-DCAQKATOSA-N 266.366 1.340 0 50 CDAA O=C(N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1)c1ccncc1 1857721657 ZXEOVKYTYMOYOW-KKUMJFAQSA-N 287.363 1.063 0 50 CDAA O=C([C@@H]1CCn2nccc2C1)N(CCO)Cc1ccccc1 1857741493 VLVFVRBPXVFLTM-OAHLLOKOSA-N 299.374 1.467 0 50 CDAA COc1ccccc1C(=O)NCC(=O)NC1CC(C)(C)C1 620744644 GRYDMMDZVJGZAL-UHFFFAOYSA-N 290.363 1.730 0 50 CDAA Cc1c(Cl)c(C(=O)NC[C@H]2CCC[C@@H](CO)C2)nn1C 421917817 WAGKTQSNAUVFER-WDEREUQCSA-N 299.802 1.910 0 50 CDAA Cn1c(CN2CCO[C@H](CC(N)=O)C2)cc2ccccc21 639355663 XTVBIBBOOCFQOD-CQSZACIVSA-N 287.363 1.255 0 50 CDAA Cn1nccc1C1CCN(C(=O)[C@H](N)c2ccccc2)CC1 237677952 GHYBQBXNCWOOCH-MRXNPFEDSA-N 298.390 1.826 0 50 CDAA O=C(NCCCn1ccnc1)c1cc2ccccc2oc1=O 17440240 SCEWFLIAMZCARX-UHFFFAOYSA-N 297.314 1.810 0 50 CDAA CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 364112581 AMRMFHFYBRPCDY-UONOGXRCSA-N 276.384 1.076 0 50 CDAA O=C(c1ccc(O)nc1)N1CC[C@@H](n2cccn2)C1 366088658 HCRWGHZEGVFQCH-LLVKDONJSA-N 258.281 1.071 0 50 CDAA Cc1nc(-c2ccccc2)sc1C(=O)NCC(=O)O 33440715 BQSWNXAIEGDVCJ-UHFFFAOYSA-N 276.317 1.933 0 50 CDAA NC(=O)[C@@H]1CCN(c2nc(-c3ccccc3)ns2)C1 266351504 JNDMQOULNQTENN-SNVBAGLBSA-N 274.349 1.517 0 50 CDAA Cc1cccc(C(=O)N2CCC[C@H]2C(=O)O)c1F 164507405 RAUCBYXWKZGYAZ-JTQLQIEISA-N 251.257 1.823 0 50 CDAA Cc1nc(-c2nc(-c3cnn(CCF)c3)no2)co1 901999547 QFCBUOPOOFPCLD-UHFFFAOYSA-N 263.232 1.866 0 50 CDAA CCn1ncc(-c2nc([C@H](C)[C@H]3CCCO3)no2)n1 903824298 MOQJPOOSPVNMIF-PSASIEDQSA-N 263.301 1.631 0 50 CDAA C[C@@H]1CCCN1C(=O)c1cccc2nc(CO)[nH]c12 906857420 XICYWCBYBBWIRP-SECBINFHSA-N 259.309 1.680 0 50 CDAA O=C(O)[C@H]1c2ccccc2OCCN1C(=O)C1CC1 911052276 GLDPIFPFJNKPCT-GFCCVEGCSA-N 261.277 1.443 0 50 CDAA CN[C@@H]1CCN(C(=O)c2ccnc3[nH]c(CC4CC4)nc23)C1 911657104 RZTHTBXGNDOYKE-LLVKDONJSA-N 299.378 1.344 0 50 CDAA C=CC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 848979063 KUSMEBKUHWELOO-UHFFFAOYSA-N 276.311 1.686 0 50 CDAA CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(CO)(CO)CC2)C1(C)C 832566664 AJPZEORZTKIBJS-KBPBESRZSA-N 295.423 1.818 0 50 CDAA Cc1cc2ncn([C@@H]3CC(=O)N(C)C3=O)c2cc1C 619132 UBWHKBKIXHRVDB-GFCCVEGCSA-N 257.293 1.583 0 50 CDAA CC(C)C[C@H](CN)NS(=O)(=O)N(C)C1CCCCC1 111829877 ZUGBBWPTYCMJNJ-GFCCVEGCSA-N 291.461 1.459 0 50 CDAA COc1ccccc1C[C@H](C)N[C@H]1CCCCNC1=O 4022935 PRMOMIGBCGVQBO-JSGCOSHPSA-N 276.380 1.885 0 50 CDAA CCc1ccccc1OCC(=O)N1CCNC[C@H]1C 124568143 RKKSOVHGCSBUDP-GFCCVEGCSA-N 262.353 1.448 0 50 CDAA CCOc1ccccc1CCC(=O)N1CCN[C@H](C)C1 155111999 DGUSKQRQTGQQSE-CYBMUJFWSA-N 276.380 1.838 0 50 CDAA COc1ccccc1CN(C)C(=O)[C@H]1NCCO[C@@H]1C 261946646 NRWRBBBYJQJBJO-RISCZKNCSA-N 278.352 1.031 0 50 CDAA COCc1cccc(C(=O)N(C2CC2)[C@H](C)C(=O)O)c1 262589164 HHMFQCBWGGXGIB-SNVBAGLBSA-N 277.320 1.911 0 50 CDAA COc1ccc(CNc2nc(C)nn2C)c(OC)c1 162480068 KNUMAOXUHOUADP-UHFFFAOYSA-N 262.313 1.753 0 50 CDAA CC(=O)N1CCC(N(C)CCCc2cnn(C)c2)CC1 65398291 XDQPBBQLRADXPG-UHFFFAOYSA-N 278.400 1.295 0 50 CDAA OC[C@@H]1CN(Cc2cnc3ccccc3c2)C[C@@H]1O 317550295 YWDSAOZUHATULB-ZFWWWQNUSA-N 258.321 1.020 0 50 CDAA N=c1[nH]c(C(=O)N[C@@H]2COC3(CCCCC3)C2)cs1 426361940 LNTFGVKAYMZWNM-VIFPVBQESA-N 281.381 1.777 0 50 CDAA CO[C@]1(C(=O)O)CCN(C(=O)c2cccc(F)c2C)C1 630255127 FYJGUNQUMFPVBJ-CQSZACIVSA-N 281.283 1.450 0 50 CDAA C[C@H](C(=O)OC(C)(C)C)N1[C@H]2CC[C@@H]1CCN(C)C2 717402983 ACYQPSHXFNUULM-UPJWGTAASA-N 268.401 1.885 0 50 CDAA O=C(CCc1cnoc1)NCCc1nc2ccccc2[nH]1 2325766315 YDISMFUMQWLRKJ-UHFFFAOYSA-N 284.319 1.842 0 50 CDAA C[C@@](O)(CNC(=O)C[C@@H]1C=C[C@H](N)C1)c1ccccc1 2325798983 MRFQTMXUSUUWFD-IVMMDQJWSA-N 274.364 1.304 0 50 CDAA CCN(Cc1nn[nH]n1)C(=O)c1ccc2c(c1)C[C@H](C)O2 2325806939 PMKKVSHMDYZWGD-VIFPVBQESA-N 287.323 1.185 0 50 CDAA C=CC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12 2325887484 WCMLIBJHKRRVQT-UHFFFAOYSA-N 256.305 1.685 0 50 CDAA CN1CC[C@@](N)(c2nc(C3CC(F)(F)C3)no2)C1 888078201 XRLZIWUIBMKWKR-JTQLQIEISA-N 258.272 1.072 0 50 CDAA O=C(CCn1cnnn1)Nc1ccc(-c2ccon2)cc1 1462970330 FHCPYHPBOIHGGG-UHFFFAOYSA-N 284.279 1.357 0 50 CDAA Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1 119589 RLNLIVBLEZDLMZ-UHFFFAOYSA-N 288.332 1.946 0 50 CDAA COc1ccc(OCCc2nnc(N)s2)cc1 808207 HPSJYRLFUXKFRG-UHFFFAOYSA-N 251.311 1.750 0 50 CDAA O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1 1581830 KSZPRUJKMRILRZ-ZDUSSCGKSA-N 270.288 1.507 0 50 CDAA O=C(O)c1ccc(I)cc1C(=O)O 1675303 NVBFLFQAJXJZIE-UHFFFAOYSA-N 292.028 1.688 0 50 CDAA Cc1nc(N2CCN(c3cnccn3)CC2)nc(C)c1C 2356136174 JIRGXKRSKQOMKJ-UHFFFAOYSA-N 284.367 1.518 0 50 CDAA CN1CCc2cc(-c3ncc(C(=O)O)s3)cnc21 2356149653 OFACETJJICKZOA-UHFFFAOYSA-N 261.306 1.896 0 50 CDAA CCNC(=O)C(=O)NCCc1ccc(Cl)cc1 2850990 QNBQLWURMSLFHG-UHFFFAOYSA-N 254.717 1.135 0 50 CDAA CCCCOC[C@H](O)CS(=O)(=O)CCCC 2870894 GESKOXHOYHJRBC-NSHDSACASA-N 252.376 1.379 0 50 CDAA O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCCC1 2879502 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270.336 1.472 0 50 CDAA C[C@H]1CN(CC(=O)Nc2ccc(Cl)cn2)CCCO1 170766509 OEFRYVSUVPVKOU-JTQLQIEISA-N 283.759 1.784 0 50 CDAA COC(=O)[C@@H](NC(=O)c1cc[nH]n1)c1cccc(C)c1 67856062 KJMPYKKDZRQYJP-LBPRGKRZSA-N 273.292 1.362 0 50 CDAA COc1ccc(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)o1 67491328 AYFTYNZCKHBXJV-MRVPVSSYSA-N 263.297 1.681 0 50 CDAA CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1ncccn1 425538226 LFWINDPBALYVDF-OAHLLOKOSA-N 296.374 1.540 0 50 CDAA Cc1oc2ncnc(NCCCN3CCOCC3)c2c1C 20548421 DAARVAJGPJDORI-UHFFFAOYSA-N 290.367 1.974 0 50 CDAA Cc1nc(N(C)C)nc(NC[C@H]2CCS(=O)(=O)C2)c1C 65374552 FRQALKKOBIWGNO-LLVKDONJSA-N 298.412 1.006 0 50 CDAA CCOc1ccc(C(=O)C[C@@H](NC2CC2)C(=O)O)cc1 32160 CQGKMFNHKKMBHF-CYBMUJFWSA-N 277.320 1.863 0 50 CDAA O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 323724 JKVDTLWEIJKWGT-SNVBAGLBSA-N 269.322 1.172 0 50 CDAA in-vitro C[C@@H](C(=O)N1CCCC1)N1CCCC[C@H]1Cn1cncn1 253378008 YYCUTIJGGFRPEX-KBPBESRZSA-N 291.399 1.144 0 50 CDAA CCCC[C@@H](C(=O)OC)N1CC(C)(C)O[C@@]2(CCOC2)C1 328588517 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CN(C)C(=O)c1cccc(CN2CC[C@](F)(CO)C2)c1 338593254 QUPUCUDZASWWPS-OAHLLOKOSA-N 280.343 1.295 0 50 CDAA O=C(Nc1cnc(C2CC2)nc1)N[C@H]1CCc2ncnn2C1 131851022 FBGSFMBYKKQXCT-JTQLQIEISA-N 299.338 1.082 0 50 CDAA C[C@H](CNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)O 237497308 RVIFFNAPURIOKF-SECBINFHSA-N 293.367 1.966 0 50 CDAA COC[C@H](NC(=O)c1ccc(C)s1)c1ccnn1C 219376650 WYDSXOMTPGFJIW-JTQLQIEISA-N 279.365 1.908 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@H]2CCC[C@@]12C1CC1 216452182 VHBWORDPHOBUCY-ASHKBJFXSA-N 273.336 1.211 0 50 CDAA Cc1cnn(C)c1CN1CCNC(=O)[C@@H]1c1ccccc1 377696279 GUSRHGHQFIWCQB-HNNXBMFYSA-N 284.363 1.402 0 50 CDAA N[C@@H](CNC(=O)c1ccc(-c2cnco2)cc1)C1CC1 238045811 RCXJQKXXGUVUCT-ZDUSSCGKSA-N 271.320 1.809 0 50 CDAA O=C(c1cccc(-c2ccccc2)n1)N1CCOC[C@@H](O)C1 77451899 SYJRLQKEJYEDAV-AWEZNQCLSA-N 298.342 1.582 0 50 CDAA Cc1nc(C)c(CCNC(=O)c2nccnc2N)s1 263144617 KIHRARLNKGYDLE-UHFFFAOYSA-N 277.353 1.105 0 50 CDAA O=C(NC[C@H]1COc2ccccc21)c1csc(O)n1 335196595 VDOSAGYCTJYENT-QMMMGPOBSA-N 276.317 1.755 0 50 CDAA CCC[C@@H]1CN(c2ccnc(C)n2)C[C@H]1NC(C)=O 82100288 AZCYDJOYDJWYJM-CHWSQXEVSA-N 262.357 1.526 0 50 CDAA C[C@H]1OCC[C@@H]1N(CCO)Cc1ncccc1Cl 528483996 HHCZVBPZGPDAKI-MFKMUULPSA-N 270.760 1.707 0 50 CDAA O=C(NCC[C@H]1CCOC1)c1ccc(F)cc1O 223138208 XKJAPCDWMLUTGQ-VIFPVBQESA-N 253.273 1.688 0 50 CDAA O=C(NCc1ccco1)c1cn2cc(Cl)cnc2n1 40287544 LFXYKSPDBAUTIM-UHFFFAOYSA-N 276.683 1.906 0 50 CDAA O=C(O)c1ncn(C[C@@H](O)c2cccc(Cl)c2)n1 221632981 TYGWTEYWVWTMBF-SECBINFHSA-N 267.672 1.363 0 50 CDAA O=S(=O)(Cc1cccc(Cl)c1)NC[C@@H]1CCCN1 518219157 ZHKQYSPRZZVEHH-LBPRGKRZSA-N 288.800 1.511 0 50 CDAA CC[C@@H](NC(=O)C(C)(C)NC(C)=O)c1ccncc1 426497197 JDINBPRHFBHPOK-GFCCVEGCSA-N 263.341 1.564 0 50 CDAA Cc1cc(=O)cc(C(=O)NC2Cc3ccccc3C2)[nH]1 426701363 GDFWEQSRMNRVFF-UHFFFAOYSA-N 268.316 1.581 0 50 CDAA Cn1ncc(N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)c(Cl)c1=O 239352711 ADECWQWTWUHMQL-AIESMOKPSA-N 265.744 1.890 0 50 CDAA CNC(=O)[C@H](C)NC(=O)C[C@H](C)Cc1cccc(F)c1 294724645 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Cc1n[nH]c(CN(C)Cc2nc(-c3ccccn3)no2)n1 244795689 RLWTYSPJDMBWQG-UHFFFAOYSA-N 285.311 1.190 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)CCN1 299742098 GVJDAUJOQUUOPJ-SWHYSGLUSA-N 262.328 1.750 0 50 CDAA C[C@H](c1cccs1)N(C)CCc1cnc(O)n(C)c1=O 253536570 WEKVGRJPRICMIX-SNVBAGLBSA-N 293.392 1.783 0 50 CDAA CCS(=O)(=O)NC[C@H](C)NC1(c2cccc(C)c2)CC1 534574562 LAXSNJBCZQNQLI-ZDUSSCGKSA-N 296.436 1.902 0 50 CDAA CC(C)c1cccc(C(=O)NC[C@@H]2CCNC[C@H]2O)c1 534653725 GSXJLLDYPZNKBV-LSDHHAIUSA-N 276.380 1.510 0 50 CDAA COc1ccc(CCNC(=O)[C@H](C)Cn2cncn2)cc1 824664736 FEPGNGNHVFONED-GFCCVEGCSA-N 288.351 1.282 0 50 CDAA COCC1(Cn2cnc3nccnc3c2=O)CCC1 584895272 MCMXHMKGADHFKA-UHFFFAOYSA-N 260.297 1.003 0 50 CDAA Cc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)c1 662220860 YSFGJROAOINQGL-UKRRQHHQSA-N 261.321 1.528 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC1CC(C)(C)NC(C)(C)C1 584894811 NGVJASAYYMYSSM-GJZGRUSLSA-N 297.487 1.993 0 50 CDAA Cc1nc(C)c(CC(=O)N(C)Cc2nncn2C)s1 584894190 QOIPWVJNRCOCDP-UHFFFAOYSA-N 279.369 1.090 0 50 CDAA CC[C@H](NC(=O)c1cnn[nH]1)c1nc(C)c(C)s1 584900412 QUJIGXALXJTDHP-QMMMGPOBSA-N 265.342 1.759 0 50 CDAA CCCc1ncncc1C(=O)N1CC[C@@H](CC(=O)NC)C1 670439845 BKIVMYOGQRDOAW-NSHDSACASA-N 290.367 1.027 0 50 CDAA O=C([C@@H](O)c1cnc[nH]1)N1CCCC[C@H]1c1ccco1 865914187 FJUIGJCQRICDHT-AAEUAGOBSA-N 275.308 1.790 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)N1CC[C@H]([C@H](F)C(=O)O)C1 1548598806 FUDVSEUXUSTWFF-UWVGGRQHSA-N 296.298 1.745 0 50 CDAA CCc1nocc1CN[C@@H](C)[C@H]1COC(C)(C)O1 1875273007 RUDAARAZPWSMOO-JOYOIKCWSA-N 254.330 1.867 0 50 CDAA CC1([C@H]2NC(=O)[C@H](c3ccsc3)NC2=O)CC1 1875278833 KVXCFDSXHLSBNU-IUCAKERBSA-N 250.323 1.204 0 50 CDAA COc1cccc(OCCN(C)[C@@H]2CC[S@@](=N)(=O)C2)c1 1875273100 SOLCUQVHCFMOBR-MPBGBICISA-N 298.408 1.825 0 50 CDAA CN1CCN(Cc2ccccc2-c2cnn(C)c(=O)c2)CC1 1875317350 VWJKXEOMPFLJIG-UHFFFAOYSA-N 298.390 1.195 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C(=O)O)cc(=O)n1C 1875311471 ZYIWQMPWQVOUGT-JOYOIKCWSA-N 292.335 1.019 0 50 CDAA Cn1ccc2ccnc(C(=O)N[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C(=O)O)c21 1875310748 BACJIGQBSKMQBT-WHOHXGKFSA-N 299.330 1.412 0 50 CDAA C[C@H]1COCC[C@@H]1C(=O)N=c1[nH]oc2c1CCCCC2 1875302995 QIFNBEAPDIUYJZ-QWRGUYRKSA-N 278.352 1.977 0 50 CDAA CN(Cc1nnc(O)o1)C(=O)[C@@H]1[C@H]2CC(F)(F)C[C@H]21 1875310833 DQCVRJZUPYKIEW-BDINMYNLSA-N 273.239 1.025 0 50 CDAA CCc1nnc([C@]23CC[C@H]2CCN3C(=O)C2CC2)o1 1875312491 FBXYCMDUBWCSRY-HZMBPMFUSA-N 261.325 1.880 0 50 CDAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)CCCC(=O)O 1605545412 KDLKXDRNKURFJJ-JTQLQIEISA-N 281.312 1.465 0 50 CDAA CCc1onc(C)c1-c1nnc([C@@]2(OC)CCOC2)o1 886086084 QGLIWRUWCIDAIY-CYBMUJFWSA-N 279.296 1.857 0 50 CDAA C=CC(=O)N1CCCN(C(=O)COc2ccccc2)CC1 888102116 BRFSXVDSRROWLH-UHFFFAOYSA-N 288.347 1.312 0 50 CDAA CCc1nocc1C(=O)N1CCOC[C@]1(C)C1CC1 890590517 JHSQIPISQYRXRV-CQSZACIVSA-N 264.325 1.878 0 50 CDAA CC(C)(C)n1nnc(C(=O)N2CCOC[C@@]2(C)C2CC2)n1 890591935 WUFORJJPOIYMBY-AWEZNQCLSA-N 293.371 1.069 0 50 CDAA OCc1cnccc1N1CCN(Cc2ccccn2)CC1 891610552 ADDHYJADPCXUNI-UHFFFAOYSA-N 284.363 1.291 0 50 CDAA CC(C)c1nc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c2cc[nH]c2n1 896971011 YOKYMYHQYVVLBH-JLLWLGSASA-N 290.367 1.768 0 50 CDAA COc1cccc(-n2cc(CN3CCOC[C@H]3C)nn2)c1 899683741 TXRNRKFHJMDGDZ-GFCCVEGCSA-N 288.351 1.497 0 50 CDAA CC1(NC(=O)NCCc2ccc3c[nH]nc3c2)CC1 1323310775 XWSSLASXTZINTH-UHFFFAOYSA-N 258.325 1.957 0 50 CDAA C[S@@](=O)Cc1noc(Cc2cccc(F)c2)n1 274067174 YEJYSJSNKYMRJK-QGZVFWFLSA-N 254.286 1.678 0 50 CDAA C[C@H]1CCO[C@H]1C(=O)Nc1cc2c(=O)[nH]cnc2cc1F 170594616 ZFUMWFGNLKNENV-JVXZTZIISA-N 291.282 1.426 0 50 CDAA O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1ccnc(O)c1 305033019 ATKHIJYZKCQHNF-GFCCVEGCSA-N 292.722 1.904 0 50 CDAA C[C@H](NC(=O)Nc1cnn([C@H](C)C2CC2)c1)C(=O)N(C)C 190784649 NTIDYQJLTMFLER-VHSXEESVSA-N 293.371 1.452 0 50 CDAA CNC(=O)C[C@]1(O)CCCN(c2nccc(C)c2Cl)C1 643720637 JRHGXCQVJFYJIW-CQSZACIVSA-N 297.786 1.511 0 50 CDAA COC1(CNC(=O)[C@H]2CCc3nccn3C2)CCCC1 650410939 NBTMQEKIGBKRJZ-LBPRGKRZSA-N 277.368 1.521 0 50 CDAA Cc1cc(CN2CCN(S(C)(=O)=O)CC2)c(C)s1 194367424 SKKZBTQQZZQOER-UHFFFAOYSA-N 288.438 1.442 0 50 CDAA O=C(Nc1cc(CSCCO)ccn1)c1ccc[nH]1 194520193 JDIXSYUCNKIRTB-UHFFFAOYSA-N 277.349 1.888 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2cccc3c2OCCCO3)C1 652065031 JRURNEBKHJEARN-SNVBAGLBSA-N 291.303 1.395 0 50 CDAA O=C(NC[C@@H](O)c1ccc(F)cc1)[C@@H]1C[C@H]2C=C[C@H]1NC2 585136718 QIPUUXVPUBTHIC-JUDXGUMMSA-N 290.338 1.139 0 50 CDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1cc[nH]c1 739721150 BZHIKVDJVJZXDE-LLVKDONJSA-N 266.297 1.111 0 50 CDAA Cc1c(N[C@H](C)CO)nn2c(C(F)(F)F)nnc2c1C 165413870 AJHGARPFEJFBOC-RXMQYKEDSA-N 289.261 1.553 0 50 CDAA Cc1ccc(C(=O)N/C(=C/c2ccco2)C(N)=O)cc1 463593 HQWHSNSUOSYTSV-UKTHLTGXSA-N 270.288 1.844 0 50 CDAA CCOC(=O)c1coc(=N[C@H]2CCCCCC[C@@H]2O)[nH]1 1857680202 DXENFQMHYMNGDM-JQWIXIFHSA-N 282.340 1.769 0 50 CDAA C[C@H]1Cc2ccccc2N1C(=O)CNC1([C@H]2CCNC2)CC1 1616032208 RQLGOQSHUDFLQR-ZFWWWQNUSA-N 299.418 1.696 0 50 CDAA Cc1cnn(C)c1CN[C@H](c1cnn(C)c1)C(F)(F)F 643898347 YFQKADXYTGWCLK-LLVKDONJSA-N 287.289 1.855 0 50 CDAA CC(C)(C)c1cnc(C(=O)N2C[C@@H](O)C3(CC3)C2)o1 1875282733 QCCSXPBDVSEOHD-SECBINFHSA-N 264.325 1.569 0 50 CDAA CN(CCn1cccn1)[C@@H](C(=O)O)c1ccsc1 571409395 FMBOREGWDUEURF-LLVKDONJSA-N 265.338 1.702 0 50 CDAA CCOc1ccccc1CNC(=O)[C@@H]1CSCN1 152462710 NHGNXOCEBHGCQH-NSHDSACASA-N 266.366 1.364 0 50 CDAA O=C([C@@H](O)c1ccccc1F)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775982552 WYCCNHYYSFOVGE-OXIWPEFWSA-N 279.311 1.088 0 50 CDAA CC(C)(C)c1cc(CNc2nnc(C(C)(C)N)o2)[nH]n1 1772703481 XMQVZQNQUUYRBJ-UHFFFAOYSA-N 278.360 1.896 0 50 CDAA O=C(CCc1ccc(F)cc1F)N1C[C@H]2C[C@H](O)[C@H]2C1 1772709024 MIAVOJLBNNCFNZ-OSMZGAPFSA-N 281.302 1.737 0 50 CDAA C[C@@]12C[C@@H]1CN(C(=O)CN1CCc3ccccc3C1)C2 1775981687 MUKAIYMWCHCGAC-WBVHZDCISA-N 270.376 1.913 0 50 CDAA Cn1c(SCC(N)=O)nnc1-c1cc2ccccc2o1 13655754 QYBTZHNVWHYVIZ-UHFFFAOYSA-N 288.332 1.806 0 50 CDAA Cc1nnsc1C(=O)N1CCOC12CCCCC2 13731763 WOJVGYHUCQFZMF-UHFFFAOYSA-N 267.354 1.979 0 50 CDAA CCN(CC)S(=O)(=O)c1csc(C(=O)N(C)C)c1 16650458 NHAKNHCJKHBSPU-UHFFFAOYSA-N 290.410 1.480 0 50 CDAA Cc1cc(=O)n2ccc(CN3CCCCC3)c(O)c2n1 19202010 OHZWONOBJCSPLP-UHFFFAOYSA-N 273.336 1.694 0 50 CDAA CC(=O)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 19790463 UWECXNUMQSUOLD-ZETCQYMHSA-N 275.563 1.151 0 50 CDAA Cc1ccc(F)c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c1 168180426 FFLRQQBZCLWZDY-FDYHWXHSSA-N 293.294 1.951 0 50 CDAA COC(=O)CNC(=O)/C=C/c1cccc(OC)c1Cl 4542747 CGGFNXCTKFXTGF-VOTSOKGWSA-N 283.711 1.651 0 50 CDAA C[C@@H](CNC(=O)c1nc(Cl)n(C)n1)Oc1cccnc1 1857694078 ZSLHVOPWMBPDNS-QMMMGPOBSA-N 295.730 1.061 0 50 CDAA Cc1c(C(=O)N[C@@H]2CCCCNC2=O)nc2ccccn12 1857699155 PQBSGGLHULBRTJ-LLVKDONJSA-N 286.335 1.041 0 50 CDAA O=C1CC[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C2(CCC2)N1 332714119 GKTRTASRIXDLFY-DCAQKATOSA-N 262.353 1.350 0 50 CDAA CC(C)(C)OC(=O)N1CCN(C(=O)C2CC2)CC1 586747 IREXWNMKXDFMFW-UHFFFAOYSA-N 254.330 1.476 0 50 CDAA in-vitro CC[C@@H]1OCCC[C@H]1C(=O)N=c1cc(C)nc(O)[nH]1 408474623 HLFMAVDBIDWUEG-ZJUUUORDSA-N 265.313 1.056 0 50 CDAA C[C@H](CN[C@@]1(CO)CCOC1)c1ccc(F)cc1 225480915 IDLKHXRAEOPYAM-BXUZGUMPSA-N 253.317 1.670 0 50 CDAA CC(C)CCC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2)CC1 225489853 BPXRFISPDIQYDR-KGLIPLIRSA-N 268.401 1.384 0 50 CDAA COC(=O)c1cncc(-c2cncc(C(=O)OC)c2)c1 4362895 FHLQRZZILYBCDV-UHFFFAOYSA-N 272.260 1.717 0 50 CDAA in-vitro Clc1ccc(CN2CCO[C@@H](Cn3ccnn3)C2)nc1 639855059 KKFFJMWTDDBMJZ-CYBMUJFWSA-N 293.758 1.228 0 50 CDAA CCN1CC[C@H](N(C)C(=O)c2ccc(CN)o2)[C@@H](C)C1 236905642 ZBDFHYKUTWZEFQ-AAEUAGOBSA-N 279.384 1.541 0 50 CDAA CCN1CN(C(=O)NC[C@H](C)c2ncc(C)s2)CC1=O 240555796 GXHHHTNFVVPOSL-VIFPVBQESA-N 296.396 1.386 0 50 CDAA C[S@](=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 136153526 PCDYYNJBHNVOAB-BIBXISHDSA-N 295.360 1.361 0 50 CDAA Cc1cccc2c1N[C@]1(NC2=O)C(=O)N(C)c2ccccc21 355286330 QIASHTTYMPCQSH-QGZVFWFLSA-N 293.326 1.980 0 50 CDAA CC(C)OC[C@H](C)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1C 486987766 XMDXQKIHBOVGFI-YWPYICTPSA-N 294.399 1.143 0 50 CDAA CN(C)[C@H]1CCC[C@@H]1NC(=O)c1cc(O)ccc1F 1565529376 FHKKFYKZZGXARD-STQMWFEESA-N 266.316 1.744 0 50 CDAA CCC[C@H]1NC(=O)N(C[C@]23C[C@H]2COC32CCC2)C1=O 900160250 DAXQKAOTZIWUMW-MISXGVKJSA-N 278.352 1.666 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H](C)c1cncc(F)c1 901343347 IPBYSLVOGUGYKI-SNVBAGLBSA-N 279.315 1.432 0 50 CDAA O=C(O)c1n[nH]cc1NC(=O)[C@H]1CC1(Cl)Cl 902228686 OHRUVHVIYTUQAN-GSVOUGTGSA-N 264.068 1.240 0 50 CDAA CCn1nccc1CNC(=O)c1cccnc1Cl 856479937 UIKBJEWOSYUJPH-UHFFFAOYSA-N 264.716 1.881 0 50 CDAA CCn1cc(O[C@@H]2COC[C@@H]2NCc2ccncc2)cn1 818230713 LWMMHFSOAZXBIL-LSDHHAIUSA-N 288.351 1.234 0 50 CDAA Clc1cnn(CCN2CCC(c3nc[nH]n3)CC2)c1 825613790 KWSJCEFHBSTJLA-UHFFFAOYSA-N 280.763 1.534 0 50 CDAA C[C@H](CNC(=O)CCC(N)=O)c1nc2ccccc2o1 828019340 QNTWFFOEZARJDZ-SECBINFHSA-N 275.308 1.313 0 50 CDAA Cc1cnc(C(=O)N2CCC3(CC2)COCCO3)cc1C 829515343 RPDPLZNAECJMPY-UHFFFAOYSA-N 290.363 1.720 0 50 CDAA O[C@@H](CN1CCOc2cccc(F)c2C1)C1(O)CCCC1 930348765 XPRIFXNLDVIAKM-HNNXBMFYSA-N 295.354 1.686 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CCC2)OC[C@H]1C(=O)O 1857781625 NDNHMBSWRIVIEY-VIFPVBQESA-N 271.313 1.630 0 50 CDAA C[S@@](=O)CCN1CCO[C@H](c2ccccc2)C1 252492233 MGEBXJBXGXTXOD-SUMWQHHRSA-N 253.367 1.438 0 50 CDAA COC(=O)[C@H](C)NC(=O)c1cc(C)nc2onc(C)c12 42319484 YXODCSFJPRJIEB-QMMMGPOBSA-N 277.280 1.131 0 50 CDAA CN1CCC[C@@H]1CCN1CCC(c2nncn2C)CC1 243893660 ATBANTJJKAXTCY-CQSZACIVSA-N 277.416 1.479 0 50 CDAA CC[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cccs1 287564241 OUOUVKMPPMQHRC-DTWKUNHWSA-N 289.378 1.622 0 50 CDAA COC(CN1CCN(Cc2ccc(Cl)nc2)CC1)OC 67641661 ZRZHQGAVQZSENK-UHFFFAOYSA-N 299.802 1.472 0 50 CDAA O=C1N(Cc2ccccc2F)CCC[C@@]12CCNC2 72128132 NOUPDKOEUMINCV-HNNXBMFYSA-N 262.328 1.928 0 50 CDAA Nc1nc(CNC(=O)Cc2cccs2)cs1 74801345 NUJJRDGAYQXUPZ-UHFFFAOYSA-N 253.352 1.646 0 50 CDAA Cc1cnc(CN2CCC[C@H](c3n[nH]c(C)n3)C2)cn1 328651266 JMHQVUOCIYXYQW-LBPRGKRZSA-N 272.356 1.591 0 50 CDAA O=C(c1ncccc1O)N1CCN([C@@H]2CCSC2)CC1 363947200 CBQCTPAPBFBQJB-LLVKDONJSA-N 293.392 1.051 0 50 CDAA CN1CCC[C@H](N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)C1 685939738 BBDCDEAQVMRBFP-QAETUUGQSA-N 277.456 1.887 0 50 CDAA CC(C)(C)C(=O)NC[C@H](C(=O)O)C1CCOCC1 864273713 MRROVJOEZYPQLP-JTQLQIEISA-N 257.330 1.276 0 50 CDAA CCC(=O)NC(=S)Nc1ccccc1C(=O)OC 455715 FTTRSCJYVWNKOU-UHFFFAOYSA-N 266.322 1.696 0 50 CDAA O=C(NN1CCCCC1=O)c1ccc(Cn2ccnc2)o1 2325727101 OEJBXBPGQXUYFI-UHFFFAOYSA-N 288.307 1.182 0 50 CDAA C[C@@H](O)Cc1nccn1Cc1cnc2ccccc2n1 2325879816 IYTDORPOUONZEZ-LLVKDONJSA-N 268.320 1.798 0 50 CDAA Fc1cccc(F)c1-n1ccc(Cn2ccnn2)n1 128077778 ARNWSELHNDSOMC-UHFFFAOYSA-N 261.235 1.790 0 50 CDAA Cn1cnnc1SCC(=O)Nc1cc(F)ccc1F 31597 PQTQCDXPUDNUKU-UHFFFAOYSA-N 284.291 1.824 0 50 CDAA COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C 308754 YQROMJVHCNLFLO-UHFFFAOYSA-N 285.365 1.333 0 50 CDAA CCc1cc2c(SCC(N)=O)ncnc2s1 620802 CQOPPUXHTADZBS-UHFFFAOYSA-N 253.352 1.831 0 50 CDAA Cc1ccc(NC(=O)C[C@H]2SC(=O)NC2=O)cc1 971784 UVVOTKPJEDRMFS-SECBINFHSA-N 264.306 1.675 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(c1ncc3c(ncn3C)n1)C2 2356150915 GNZZWRYVKJNNHV-IAZYJMLFSA-N 273.340 1.225 0 50 CDAA COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccc(C)c1 4235159 OBQYFNIPAIEUEY-GXTWGEPZSA-N 277.320 1.616 0 50 CDAA O=C(O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4384218 JEJKVDIMYSYXMU-JTQLQIEISA-N 251.257 1.301 0 50 CDAA C=CC(=O)N(C)CC(=O)NCc1cc(C)cs1 861894416 QEHRXXIGWHGLDT-UHFFFAOYSA-N 252.339 1.317 0 50 CDAA Cn1cc(C(=O)Nc2cncnc2N2CCCC2)cn1 137352579 YIALJFMWXWXPOA-UHFFFAOYSA-N 272.312 1.063 0 50 CDAA CC(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(=O)n(C)c1 65491553 NXKNOLHDWNSZMH-CYBMUJFWSA-N 288.351 1.036 0 50 CDAA O=C(NC[C@H]1CCCCN1CCO)[C@H]1CCC(F)(F)C1 331307050 GGYBGZJRKJKPAE-NWDGAFQWSA-N 290.354 1.385 0 50 CDAA CCn1cnnc1CCNC(=O)c1nc(C(C)C)cs1 20537037 JKTAVPWSYFADPI-UHFFFAOYSA-N 293.396 1.850 0 50 CDAA COc1cc(NC[C@H](c2ccccn2)N(C)C)ncn1 65409638 BGMKAXXYYVBQKI-GFCCVEGCSA-N 273.340 1.595 0 50 CDAA COc1cc(-c2nncn2-c2cc(C)nn2C)ccc1O 67955689 ZPQZDRRUFPYZNK-UHFFFAOYSA-N 285.307 1.690 0 50 CDAA COc1cc(C(=O)N(C)C[C@H](C)CN2CCCC2)ccn1 1506404971 SVBLTKDWBPHALN-ZDUSSCGKSA-N 291.395 1.894 0 50 CDAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C)C(N)=O 252674449 SDTOWDHFPDNTMD-KKOKHZNYSA-N 270.373 1.350 0 50 CDAA CCOC(=O)N1CCC2(CC1)NCCc1[nH]cnc12 65381750 PWOLHKBLRDXCDY-UHFFFAOYSA-N 264.329 1.003 0 50 CDAA Cc1noc2ccc(CN3CCN(C)[C@H](C(=O)O)C3)cc12 67446937 YOIIWUGKLNTYQW-ZDUSSCGKSA-N 289.335 1.337 0 50 CDAA COc1nc(NC(=O)c2cncc(Br)c2)n[nH]1 126771632 VKGGTOUNMRWLAS-UHFFFAOYSA-N 298.100 1.223 0 50 CDAA CCCC(=O)N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 33359513 OYYUAOANVVIJTD-ZDUSSCGKSA-N 282.384 1.320 0 50 CDAA CC(=O)N1CCC(N[C@@H](C)CCCC(C)(C)O)CC1 32507889 QTAQABKQKLQNPF-LBPRGKRZSA-N 270.417 1.917 0 50 CDAA CCNC(=O)C[C@@H]1CCCCN1C[C@@H](O)C(C)C 433205557 DNPQSTDHLJMESJ-QWHCGFSZSA-N 256.390 1.384 0 50 CDAA CC(C)C[C@H]1C(O)=NCCCN1C(=O)C1CC(=O)C1 329560650 RIBDQLHNHJGURI-LBPRGKRZSA-N 266.341 1.569 0 50 CDAA Cc1c([C@H](C)NC(=O)OC[C@H]2CCCO2)cnn1C 253415553 GNWZIQGWTICHRO-GXSJLCMTSA-N 267.329 1.695 0 50 CDAA COC[C@@H](NC(=O)c1cccc(-n2cccn2)n1)C1CC1 152018138 DVKQDDQMHPROAY-CYBMUJFWSA-N 286.335 1.422 0 50 CDAA Cc1ccc2nc(CNC(=O)c3nccn3C)cn2c1 216510977 YIBQUTJEJAGZFD-UHFFFAOYSA-N 269.308 1.306 0 50 CDAA Cc1nnc([C@H](C)N2CCCC[C@H]2Cn2cncn2)o1 257365802 OTAKOOIBMYMHGI-JQWIXIFHSA-N 276.344 1.585 0 50 CDAA Cc1ccc(-c2cccc([C@H]3NCCNC3=O)c2)cn1 863700880 XFKXEZWBXSYIHX-OAHLLOKOSA-N 267.332 1.818 0 50 CDAA Cc1nc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n[nH]1 215008392 LLGSSCINHIDSLY-LBPRGKRZSA-N 296.334 1.967 0 50 CDAA CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C(=O)O)[C@H]2C)c1C 262953157 HKLQCIPUERVCNR-MWLCHTKSSA-N 292.335 1.769 0 50 CDAA O=C(Cc1n[nH]c2ccccc12)N1CCOC2(CCC2)C1 127947357 QQKLGKJOZCKRLL-UHFFFAOYSA-N 285.347 1.887 0 50 CDAA Cn1cc2c(=NC[C@H]3C[C@H]4C=C[C@H]3CC4)ncnc-2[nH]1 333760769 PFDXDVYLWQXPAY-SDDRHHMPSA-N 269.352 1.751 0 50 CDAA C[C@@H](O)CCn1cnc2cc(Cl)ccc2c1=O 32581061 YRZQNQWDXIJNAU-MRVPVSSYSA-N 252.701 1.821 0 50 CDAA CCC[C@H]1COCCN1C(=O)c1cnn2cc[nH]c12 71758972 AGOHFOVDFZAKSR-JTQLQIEISA-N 262.313 1.304 0 50 CDAA COCCCN(C)CCN[C@@H]1CCC12CCOCC2 370297235 JWYLAPKTUGWVKM-CQSZACIVSA-N 270.417 1.504 0 50 CDAA CCCc1nnc(C(=O)N(C)Cc2cnc3ccccn23)o1 71753751 DDMZPNJMPWPNHB-UHFFFAOYSA-N 299.334 1.942 0 50 CDAA CCCC(=O)N1CCN(c2cc(C)nc(NCC)n2)CC1 72436817 UTNBTCLLCLXBLC-UHFFFAOYSA-N 291.399 1.666 0 50 CDAA CN1CCCN([C@@H](C(=O)O)c2ccc3c(c2)OCO3)CC1 217380129 HDKMNYHJUHTWFB-CQSZACIVSA-N 292.335 1.179 0 50 CDAA O=C(CCCOCc1ccccc1)N1CC[C@H]2CNC[C@H]21 77564031 NFYNZDATWDURSO-JKSUJKDBSA-N 288.391 1.804 0 50 CDAA Cc1ccccc1-c1ncc(CN2CCOC[C@H]2CO)cn1 215195445 PJFQELFCIHBNPU-OAHLLOKOSA-N 299.374 1.645 0 50 CDAA O=C1Nc2c(Br)cccc2S(=O)(=O)N1 137495394 UNWFVIMGKIDJKB-UHFFFAOYSA-N 277.099 1.273 0 50 CDAA C[C@H]1CN(C(=O)c2c(Cl)cnn2C)c2cccnc2O1 613496872 CCINFJXNJQLVGU-QMMMGPOBSA-N 292.726 1.896 0 50 CDAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1cccc(F)c1 131759025 PTDFYQYAVUWMFG-ONGXEEELSA-N 272.345 1.326 0 50 CDAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)CN1CCOC1=O 220162912 RGNPEEKGQLKZOH-NSHDSACASA-N 293.323 1.407 0 50 CDAA CNS(=O)(=O)c1cc(C)c(C)cc1Br 41105615 ZOZHPGAZHYHXKW-UHFFFAOYSA-N 278.171 1.974 0 50 CDAA CN(C)CCCN(C)C(=O)c1cnc(-c2ccccn2)nc1 426550075 REOUIXXHOJFDJI-UHFFFAOYSA-N 299.378 1.562 0 50 CDAA O=C(C[C@@H]1CCOC1)NCCC(=O)Nc1ccccc1 426383096 HVVQHXAAZLXWHS-LBPRGKRZSA-N 276.336 1.558 0 50 CDAA Cc1cc(C)n(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)n1 179312490 TWTOAPKZWFLBSG-CQSZACIVSA-N 294.376 1.637 0 50 CDAA Cc1ncn(CC(=O)N2CCC[C@@H](N(C)C)CC2)c1C 221189335 WKLFJDMHOGUZFC-CQSZACIVSA-N 278.400 1.443 0 50 CDAA Cc1nnc(CN(C)C(=O)c2c(Cl)c(C)nn2C)o1 426701574 HXOJRWPMZUAYPD-UHFFFAOYSA-N 283.719 1.346 0 50 CDAA C[C@@H](NC(=O)N1CCNC(=O)C1)c1cc(F)cc(F)c1 426545129 UOCNMAXNOPANSM-MRVPVSSYSA-N 283.278 1.167 0 50 CDAA CCOCCn1nc(C)cc1-c1nc([C@H]2CCOC2)no1 96141992 PUBUILDKHGHRNW-NSHDSACASA-N 292.339 1.782 0 50 CDAA OC[C@H]1CN(Cc2cc(F)c(F)c(F)c2)CC[C@H]1O 335633176 KPPKQRQIQMLMDJ-BXKDBHETSA-N 275.270 1.279 0 50 CDAA CN1CCCCC[C@@H]1C(=O)NC(C)(C)c1nnc(N)s1 97570797 XRNXWMYSXVSOOC-SECBINFHSA-N 297.428 1.346 0 50 CDAA COC[C@]1(O)CCN(C(=O)c2ccncc2)CC1(C)C 92066216 QXYGXFFZSAEKLA-OAHLLOKOSA-N 278.352 1.331 0 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Cc1cc(S(=O)(=O)n2cncn2)c(C)cc1Cl 252485389 GTDADQWSGUQPPV-UHFFFAOYSA-N 271.729 1.785 0 50 CDAA Cc1cccc2nc(CNC(=O)C[C@H]3CCOC3)[nH]c12 345839815 PIFXHNHSVINMDM-LLVKDONJSA-N 273.336 1.914 0 50 CDAA Cc1nc(C)c(C(=O)N[C@H](c2ncnn2C)C(C)C)o1 534657562 DXLBTDVSRNZFNJ-JTQLQIEISA-N 277.328 1.547 0 50 CDAA COCC1(CNC(=O)[C@H]2CCCN(C(N)=O)C2)CCCC1 534636342 KYQFJHOCELANSP-LBPRGKRZSA-N 297.399 1.100 0 50 CDAA COc1ccnc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)c1OC 534658126 JZZUFAXRRLVVKS-WVKUQDAKSA-N 289.379 1.281 0 50 CDAA O=C(C[C@H]1CCOC1)N1CCC(CN2CCCC2)CC1 369552225 GYQZORYOTCLQRI-OAHLLOKOSA-N 280.412 1.747 0 50 CDAA Cc1csc([C@H](C)CNC(=O)c2cnc[nH]2)n1 273269077 JEKLHGOQTQIEOC-SSDOTTSWSA-N 250.327 1.708 0 50 CDAA Cc1ncc(C)c(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 299759231 CRCLPZPOLJRDIZ-STQMWFEESA-N 286.339 1.035 0 50 CDAA CC[C@H](NC(=O)CCN1CCOCC1)c1cc(C)ccn1 299798145 VWVCUYAVZGXGDS-AWEZNQCLSA-N 291.395 1.680 0 50 CDAA COc1cccc(C)c1C(=O)N1CCCC[C@@H]1CO 828710797 GDYPYTJALDOEPB-GFCCVEGCSA-N 263.337 1.991 0 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CC1(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)CCOCC1 1553466669 BUWRTALFPXUWMQ-GFCCVEGCSA-N 281.400 1.326 0 50 CDAA O=C(OCCF)N1CCN(CCc2ccncc2)CC1 874433686 ONAYVTOQHSCREQ-UHFFFAOYSA-N 281.331 1.348 0 50 CDAA Cc1nnc(C2(C)CN(C(=O)C(=O)C(C)(C)C)C2)o1 952893046 KPMSDLFIDAKJHJ-UHFFFAOYSA-N 265.313 1.093 0 50 CDAA CN(C[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccn1 1875273906 DBMSKNIUYVQPQI-VIFPVBQESA-N 274.773 1.606 0 50 CDAA CCc1nc(C)c(C(=O)N2CCC[C@](O)(C(=O)O)C2)s1 1875291634 GVFGCNUTRMHCND-CYBMUJFWSA-N 298.364 1.066 0 50 CDAA CCN(Cc1ccc(F)cc1-c1nn[nH]n1)C[C@H](C)O 1875331372 XIWNBAUXALPDSJ-VIFPVBQESA-N 279.319 1.209 0 50 CDAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CC[C@@H]32)CS1 1875313307 JYXLQRIBQAQMIQ-WYCDGMCDSA-N 255.339 1.107 0 50 CDAA C=CC(=O)N1CCC(C(=O)NC2(CC)CCOCC2)CC1 1875363389 GBNQGVKQHCBCQX-UHFFFAOYSA-N 294.395 1.486 0 50 CDAA C[C@@H]1N(C[C@H](O)CC2(c3nn[nH]n3)CC2)CCC1(C)C 1875330854 FIMUAVFZUXFOBY-WDEREUQCSA-N 279.388 1.103 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCC[C@H](OC)CC2)CC1 1875365140 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283.299 1.102 0 50 CDAA Cn1cnc(CNC(=O)[C@@H](CN)C2CCCCCC2)c1 1615554942 NWRJPMNZVXLJLD-AWEZNQCLSA-N 278.400 1.582 0 50 CDAA COc1nscc1-c1noc([C@@H]2CCCN2C)n1 1615612969 DLLDXCIXZYRQLM-QMMMGPOBSA-N 266.326 1.968 0 50 CDAA Cn1cc2c(n1)CCC[C@H]2NC(=O)c1cncnc1C1CC1 1616043279 XBZKFTPYSRXMTO-CYBMUJFWSA-N 297.362 1.895 0 50 CDAA C[C@@H]1C(=O)N2CCC[C@H]2CN1c1noc(-c2ccccc2)n1 1772705548 UKHSBPBRUUKREZ-YPMHNXCESA-N 298.346 1.936 0 50 CDAA O=C(c1cn(C2CCCCC2)nn1)N1CCOCC1 11873313 RRFSEHFHVBLAJI-UHFFFAOYSA-N 264.329 1.256 0 50 CDAA CCN1CCC(NC(=O)COc2ccccc2)CC1 16580651 WDJWOXNTGUSQMY-UHFFFAOYSA-N 262.353 1.666 0 50 CDAA COc1ccc(C(=O)N(C)C[C@H]2CCCCN2C)o1 19840679 MMYXTTWXVFCTAG-LLVKDONJSA-N 266.341 1.845 0 50 CDAA COC[C@@H](c1ccccn1)N(C)Cc1cn(C)c(C)n1 1857678173 CNXDQUBFYVSLGW-HNNXBMFYSA-N 274.368 1.943 0 50 CDAA O=C(CN1Cc2ccccc2C1)NC[C@H]1CC1(F)F 1857682964 NDPKPZSRCFCHFI-GFCCVEGCSA-N 266.291 1.774 0 50 CDAA Cc1nc(-c2nccn2Cc2[nH]nc3ncccc23)cn1C 1857718440 UHYXQEULIZMUCB-UHFFFAOYSA-N 293.334 1.912 0 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CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cn[nH]c1C 286703563 FVGCRUQOBRRRPV-FPMFFAJLSA-N 293.367 1.374 0 50 CDAA O=C(c1ncoc1C(F)(F)F)N1CCC12COC2 615920865 FSYIEHAPZNKUOX-UHFFFAOYSA-N 262.187 1.308 0 50 CDAA Cc1ccc(S(=O)(=O)CCCN2C[C@@H](O)C[C@H]2C)cc1 341120535 DCOFEJMTFUGUOV-KGLIPLIRSA-N 297.420 1.614 0 50 CDAA O=C(C[C@@H]1CCCOC1)N1CCN(c2ccccn2)CC1 82315866 CYIATRGLWXGJJE-AWEZNQCLSA-N 289.379 1.547 0 50 CDAA CC[C@@H]1[C@@H](NC(=O)c2cncs2)[C@@H]2CCO[C@@H]21 223901063 UJWJNAQYTYPMIO-JZSSXWJLSA-N 252.339 1.686 0 50 CDAA CSCCc1nc(-c2ccncc2)nn1CC(=O)O 97551262 DMIWMDJFJOGDQU-UHFFFAOYSA-N 278.337 1.330 0 50 CDAA Cc1nn(C)c2nc(NCCCN3CCCC3=O)sc12 95385011 FFOCFBYEWWUREC-UHFFFAOYSA-N 293.396 1.763 0 50 CDAA COCCOc1cccc(C(=O)N2CC[C@@](F)(CO)C2)c1 338743054 JHEUSHMVWXSAIL-HNNXBMFYSA-N 297.326 1.258 0 50 CDAA O=C1CC[C@@]2(CCOC2)CN1CCn1cc(Cl)cn1 91445112 JOPNPMZKVRLOJJ-CYBMUJFWSA-N 283.759 1.566 0 50 CDAA CC(=O)c1cc(CC(=O)N[C@H]2CCCCNC2=O)cs1 97772684 KVDQGRUJHYKFQO-NSHDSACASA-N 294.376 1.278 0 50 CDAA O=C(C[C@H]1C=CCC1)NCc1ccc2[nH]c(=O)[nH]c2c1 97107586 HQKSLYWVIWRLME-JTQLQIEISA-N 271.320 1.829 0 50 CDAA COc1c(C)cc(S(=O)(=O)Nc2nnc(C)o2)cc1C 295892790 HWTZCXPMJVHFOQ-UHFFFAOYSA-N 297.336 1.804 0 50 CDAA CC[C@@H](NC(=O)c1nnc2n1CCCCC2)[C@H]1C[C@@H](O)C1 244716036 LHCVFCNTLPPJOH-GRYCIOLGSA-N 292.383 1.284 0 50 CDAA C[C@@H](c1ccncn1)N(C)CC(=O)NCc1cccs1 244708042 KMNFXLHTYMUFSF-NSHDSACASA-N 290.392 1.847 0 50 CDAA O=C1[C@H]2OC[C@@H](O2)[C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]12 245254771 BWOGNRRIYDTYOH-DTVLGXAZSA-N 279.679 1.383 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC(=O)[C@@H](c3ccccc32)[C@H]1C(=O)OC 247831901 LOWFMEONNNEOOG-IGHBBLSQSA-N 288.299 1.419 0 50 CDAA Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 248129726 WPFYQSJKOJNEMK-FDYHWXHSSA-N 257.289 1.662 0 50 CDAA NC[C@@H]1CCN(Cc2cc(O)c3cc(F)ccc3n2)C1 253537314 LXVFUDHAUXOMKH-JTQLQIEISA-N 275.327 1.860 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1COCCO1 252203316 WRRHXFIJXBCDIG-MROQNXINSA-N 253.342 1.581 0 50 CDAA CC[C@H](C)[C@@H](C(=O)Nc1n[nH]c(C(C)C)n1)n1cnnn1 604419704 VRGFPHJDPZPICR-IUCAKERBSA-N 292.347 1.141 0 50 CDAA CCN(CC)CC1(NC(=O)[C@H](O)C2CCCCC2)CC1 534575302 LZNHXKZUYNIURO-CQSZACIVSA-N 282.428 1.918 0 50 CDAA CCc1c(C)nn(CC(=O)NCCc2cc[nH]n2)c1C 534586706 VTEPIKPEPOYZOG-UHFFFAOYSA-N 275.356 1.144 0 50 CDAA CCO[C@@H](C)CN(C)C(=O)NCCn1cccc1 534590868 FSFYPOBNGGCYTP-LBPRGKRZSA-N 253.346 1.555 0 50 CDAA COC(=O)c1cc2n(n1)CCCN2C(=O)OC(C)(C)C 260041072 CYAVTOXLGKKWQM-UHFFFAOYSA-N 281.312 1.815 0 50 CDAA O=C(CN1C[C@H]2CC[C@@H](C1)NC2)NC1CCCCCC1 534659629 WAYGTNFNCLSDBH-ZFWWWQNUSA-N 279.428 1.509 0 50 CDAA CO[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 360979008 JBEHEHDSBNOYLL-CQSZACIVSA-N 262.353 1.609 0 50 CDAA CC(C)OCC(=O)NCc1ccc(-c2ncon2)cc1 299768528 KYQPJOMNPIRUFJ-UHFFFAOYSA-N 275.308 1.778 0 50 CDAA CCn1ncnc1[C@H](NC(=O)c1cncs1)C1CC1 299776770 HEQLDHLLBDRDLQ-SNVBAGLBSA-N 277.353 1.636 0 50 CDAA C[C@@H]1c2ncc(C(=O)O)n2CCN1C(=O)OC(C)(C)C 396158565 KQWCDSMLQWMMOO-MRVPVSSYSA-N 281.312 1.893 0 50 CDAA COC(=O)C1(NC(=O)OC(C)(C)C)CC(F)(F)C1 575629125 JWPHQDJXYNTLLT-UHFFFAOYSA-N 265.256 1.852 0 50 CDAA COCCn1ccnc1CN(C)Cc1ncc(C)[nH]1 824466141 MNFNNHILSIPRHO-UHFFFAOYSA-N 263.345 1.193 0 50 CDAA CCOc1ccc(CCCNC(=O)N2CC(O)C2)cc1 823375146 IVHRXVCUUWRYRJ-UHFFFAOYSA-N 278.352 1.404 0 50 CDAA CN1CCC(NCc2nc(C(F)(F)F)n[nH]2)CC1 823765147 YSRITKBUNMYURX-UHFFFAOYSA-N 263.267 1.007 0 50 CDAA CC(=O)N1CCC[C@@H](N=c2[nH]nc(C)c3ccccc23)C1 584901484 YCJAHFQRQQUJFU-CYBMUJFWSA-N 284.363 1.783 0 50 CDAA Cn1nc2c(c1-c1ncnn1-c1cccnc1)CCCC2 825651902 OQJCPIFOWUFYKQ-UHFFFAOYSA-N 280.335 1.942 0 50 CDAA O=C(NCCCc1ccc(Cl)cc1)N1CC(O)C1 584900315 SRNDXXRTORBEII-UHFFFAOYSA-N 268.744 1.659 0 50 CDAA CCCN1CCN(C(=O)[C@@H](CC)n2cccc2)CC1=O 670449816 GPJDGDWAUYYEDS-CYBMUJFWSA-N 277.368 1.520 0 50 CDAA CCn1ncnc1CN[C@@H]1COc2c(cccc2OC)C1 684560418 KYIHNYGGRIBBON-LBPRGKRZSA-N 288.351 1.400 0 50 CDAA O=C(NOCc1cccnc1)[C@@H]1CC[C@H]2CC[C@H]1O2 1875293142 DPBCPFOICOGFMV-YNEHKIRRSA-N 262.309 1.587 0 50 CDAA Cc1cc(NC(=O)N[C@@H]2C[C@@H]3C[C@H](CO)C[C@@H]32)on1 1875277467 MVNMNPUBNAANHW-XWLWVQCSSA-N 265.313 1.512 0 50 CDAA C=CC(=O)NC[C@H](O)c1ccc(F)c(Br)c1 1875374660 BVUPXJKSJLMBFE-JTQLQIEISA-N 288.116 1.924 0 50 CDAA CCCCNC(=O)N1CCN(C(=O)c2ccco2)C[C@@H]1C 1875357426 HESHQILVHQSCOB-LBPRGKRZSA-N 293.367 1.936 0 50 CDAA O=S(=O)(N[C@@H]1CN2CC[C@H]1C2)c1ccc(CF)cc1 1875321812 WJPOOLGOCWAFFU-WCQYABFASA-N 284.356 1.139 0 50 CDAA COc1nscc1CN(C)S(=O)(=O)c1ccccn1 952995672 URTCXRSHCYBJSA-UHFFFAOYSA-N 299.377 1.367 0 50 CDAA CS(=O)(=O)CCC(=O)N(Cc1ccc(O)cc1)C1CC1 952991449 RXZBZFYGNYUHGU-UHFFFAOYSA-N 297.376 1.318 0 50 CDAA CC1=C(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)OCCO1 952988076 AOWLVYJFZHTXTG-ZDUSSCGKSA-N 291.351 1.400 0 50 CDAA Cc1nc(CN2CCN(CC(F)(F)F)CC2)n(C)c1C 952969715 QCHOCEJMYXYFIX-UHFFFAOYSA-N 290.333 1.717 0 50 CDAA C/C=C/C[C@H](CO)NC(=O)c1c[nH]nc1C1CCOCC1 886088036 IMMALAPVYBQNCV-QAVQXKDTSA-N 293.367 1.361 0 50 CDAA C[C@]1(F)CCCCN(C(=O)CC2CC(=O)NC(=O)C2)C1 1182160872 NRKGKLZRTBECQM-AWEZNQCLSA-N 284.331 1.170 0 50 CDAA CN[C@H]1CCCN(C(=O)COc2ccccc2F)C1 133674115 MAUHILAUUXISDZ-NSHDSACASA-N 266.316 1.415 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)c1nccc3cccnc13)C2 1775961335 SXWSVSYFSAFCLM-NHYWBVRUSA-N 268.320 1.193 0 50 CDAA Cn1ccc(CNC(=O)C(F)(F)c2csc(N)n2)c1 1775989795 BASMAEHSIHTFSB-UHFFFAOYSA-N 286.307 1.472 0 50 CDAA C[C@H](N)[C@@H](C)C(=O)Nc1cccc(Cn2cncn2)c1 134214084 JKFYOKMVBDUHBK-MNOVXSKESA-N 273.340 1.248 0 50 CDAA CC(C)c1noc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)C2)n1 1565531373 JOQHSPTXQDVTNS-ZJUUUORDSA-N 295.339 1.652 0 50 CDAA C[C@H](NC(=O)c1cccc(CO)c1)c1nn(C)cc1O 1364404498 XLEFRLDMSCKBOM-VIFPVBQESA-N 275.308 1.109 0 50 CDAA CCc1c(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)oc2ccccc12 1364894076 XRGJFFOQGLZLNW-CGJHYDBRSA-N 289.331 1.609 0 50 CDAA CCCn1nc(C)c(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1C 270758744 PNOOOHHMTIEWDF-QWHCGFSZSA-N 277.368 1.577 0 50 CDAA CN(Cc1cccnc1)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275328109 QRJHJZMLDWOWCE-GFCCVEGCSA-N 286.335 1.581 0 50 CDAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1cncnc1 275697909 TZUSBDGGCNYPGZ-UONOGXRCSA-N 284.319 1.522 0 50 CDAA O=C(N[C@@H]1CC=CCC1)N1CCC(Cn2cncn2)CC1 187174750 LFUBXGXUBPSKAN-CQSZACIVSA-N 289.383 1.808 0 50 CDAA C[C@H]1C[C@@H](O)CN1C(=O)C[C@@H](C)NC(=O)C1CCCC1 408295141 RTYDMCARABJQBI-NTZNESFSSA-N 282.384 1.053 0 50 CDAA O=C(NCCN1C[C@@H]2CC[C@H](C1)O2)c1ccnc(Cl)c1 408520823 ZDDLLRHQEYFRFG-TXEJJXNPSA-N 295.770 1.328 0 50 CDAA O=C(NC1CC1)C1(C(=O)N2CCC23CCC3)CCC1 170022471 RHOSEJLIYBFEOE-UHFFFAOYSA-N 262.353 1.590 0 50 CDAA Cc1ccc(C(=O)OCc2nc(N(C)C)no2)cc1F 170609358 OMCRLFLZUSWGFG-UHFFFAOYSA-N 279.271 1.940 0 50 CDAA CCCNC(=O)CN1CCCC[C@@H]1c1nccn1CC 281100247 VWWKOGSLEIUJBZ-CYBMUJFWSA-N 278.400 1.956 0 50 CDAA COC(=O)c1[nH]c(CN[C@H](C)[C@@H]2CCCO2)cc1C 602511240 OGSQZJVFGRQMMI-PWSUYJOCSA-N 266.341 1.767 0 50 CDAA COc1ncncc1CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 647187717 USEJGLFYQBMQTF-XQQFMLRXSA-N 277.368 1.778 0 50 CDAA O=C(CN1CCCC1=O)Nc1ccc2ncsc2c1 192679185 ASYYCFVVCLGRLC-UHFFFAOYSA-N 275.333 1.857 0 50 CDAA C[C@@H]1CCN[C@H](C)[C@H]1NC(=O)c1cccc(C(=O)O)c1 582907707 FCYIPNMWYUZHEZ-BREBYQMCSA-N 276.336 1.501 0 50 CDAA O=C(Nc1ccccc1F)N1CC(O)(C(F)(F)F)C1 584907943 OZRVMLUQTXOBJG-UHFFFAOYSA-N 278.205 1.967 0 50 CDAA COC(=O)CC[C@H](Sc1cccc(O)c1)C(=O)OC 585118169 FIJRXJOCALUPRS-NSHDSACASA-N 284.333 1.979 0 50 CDAA COCCN1CCC[C@H](CNCc2cnc(C)nc2)C1 1506426385 GNWJAIRXXJTYJV-CQSZACIVSA-N 278.400 1.233 0 50 CDAA Cc1ccccc1[C@@H]1[C@@H](C(=O)NC2CC2)OCC(=O)N1C 1529189293 KQWQMMOWAHLVMD-CABCVRRESA-N 288.347 1.172 0 50 CDAA Cn1ccnc1CN1CCO[C@H](CO)[C@H]1c1ccccc1 1529174747 XLSDDAPPLSJCDK-GDBMZVCRSA-N 287.363 1.355 0 50 CDAA O=S(=O)(CS(=O)(=O)c1ccccc1)c1ccccc1 163104 QCHNSJNRFSOCLJ-UHFFFAOYSA-N 296.369 1.892 0 50 CDAA in-vitro CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CSCN2)C1(C)C 236868166 WTXKQEUCAWIWRV-GMTAPVOTSA-N 272.414 1.311 0 50 CDAA Cn1cc(CNC(=O)c2ncoc2C(F)(F)F)cn1 667053634 NSNPAIOFSYLNRW-UHFFFAOYSA-N 274.202 1.357 0 50 CDAA Cc1cc(CCC(=O)N2C[C@H](N)C3(CCC3)C2)no1 1615552160 CIWIVYSALUPDHK-LBPRGKRZSA-N 263.341 1.255 0 50 CDAA NCCc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cc1 1615555915 ZSSHHMHZTUQZCW-IAGOWNOFSA-N 295.386 1.542 0 50 CDAA Cn1cc(CN(CCC(=O)O)Cc2ccc(F)cc2)nn1 1615554885 ZCSGYLWBZPWLFZ-UHFFFAOYSA-N 292.314 1.431 0 50 CDAA CN(C(=O)[C@H]1NCCOc2ccccc21)c1cnn(C)c1 1615614317 FXLXFHYEIKNSKI-AWEZNQCLSA-N 286.335 1.106 0 50 CDAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc2c[nH]nc2n1 1775977090 DPHOUOWVVMDVRN-UONOGXRCSA-N 294.314 1.346 0 50 CDAA c1ccc2c(c1)OCc1nnc(-c3cnccn3)n1-2 1775981685 CJANHAHZCNOMGY-UHFFFAOYSA-N 251.249 1.617 0 50 CDAA CO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@@H]2OC(C)(C)O[C@@H]21 5500068 HKUZYSYUFMRRNR-SAVGLBRCSA-N 274.313 1.029 0 50 CDAA O=C([C@H]1CCCO1)N1CCC(O)(c2cccnc2)CC1 12113250 OWKIKDZLEYXRNQ-CYBMUJFWSA-N 276.336 1.071 0 50 CDAA Cc1cc(C)nc(NCc2cccnc2N2CCOCC2)n1 12586732 LLXPWFCPWKBTSO-UHFFFAOYSA-N 299.378 1.937 0 50 CDAA c1cnc([C@H]2CCN(c3cc(-n4ccnc4)ncn3)C2)cn1 1643226222 RFEURECQVLGEIG-LBPRGKRZSA-N 293.334 1.446 0 50 CDAA COC[C@@H](C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 16474385 LRXPVYSSMNQNSG-BIGNPOOSSA-N 269.341 1.259 0 50 CDAA O=C(O)CN1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O 17988850 XFQVNCBMAAYFMD-YNEHKIRRSA-N 287.315 1.640 0 50 CDAA COc1ccc(C(=O)N[C@@H](C)Cn2nc(C)cc2C)o1 19782099 CZYBUXMOHQZQFQ-JTQLQIEISA-N 277.324 1.920 0 50 CDAA COc1ccc(N2C(=O)C[C@@H](NC3CCCC3)C2=O)cc1 19790629 KPYXNGHCODTBBE-CQSZACIVSA-N 288.347 1.859 0 50 CDAA O=C1NCCC[C@]12CN(CCC1CCCCC1)CC[C@@H]2O 1857694358 MWSGHVDXYPLFAX-DOTOQJQBSA-N 294.439 1.920 0 50 CDAA CC(=O)[C@@H]1[C@@H](c2ccccc2)n2ncnc2N[C@]1(C)O 238901408 MBLDMKSKLGOJNN-YRGRVCCFSA-N 272.308 1.207 0 50 CDAA CCOC(=O)C[C@@H](NCC(=O)N(C)C)c1ccccc1C 408524811 ZLUQTEVKSGAUMG-CQSZACIVSA-N 292.379 1.667 0 50 CDAA CC(C)(C)OC(=O)N1CCc2c(C(=O)O)ncn2CC1 306134558 NRQFIFUIXXHARO-UHFFFAOYSA-N 281.312 1.375 0 50 CDAA in-vitro Cc1ccc(F)c(OCC(=O)N[C@@H]2CCNC2(C)C)c1 423709865 OOGKSXBSFSAZKQ-CYBMUJFWSA-N 280.343 1.770 0 50 CDAA CC(C)(C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccs1 236692523 SSSNVFDSTPQAGA-JTQLQIEISA-N 297.376 1.728 0 50 CDAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccnn1CC)C2 248013925 RZUFSISZIYEFJO-KBPBESRZSA-N 290.411 1.849 0 50 CDAA CC1=NN(c2ccc(C(=O)N3CCC[C@@H]3CO)cc2)CC1 154009965 IRHWMHGMFNBJQD-OAHLLOKOSA-N 287.363 1.870 0 50 CDAA c1cn([C@H]2CCCN(Cc3ncc(C4CC4)o3)C2)nn1 579945388 TVHFYANHNMVZTH-LBPRGKRZSA-N 273.340 1.981 0 50 CDAA CCc1n[nH]cc1C(=O)NC[C@]1(C)CCCC[C@@H]1O 584907289 MHTLKFQWUVVQRN-JSGCOSHPSA-N 265.357 1.643 0 50 CDAA CCc1nnc(NC(=O)[C@H]2C[C@H]3CC[C@H]2O3)s1 265046916 ZUZLSEOJYLZYAM-GJMOJQLCSA-N 253.327 1.607 0 50 CDAA O=c1ccccn1Cc1noc([C@]23C[C@H]2COC32CCC2)n1 901906502 RQRYLUNEQKISCR-ZBEGNZNMSA-N 299.330 1.490 0 50 CDAA O=C(c1cncc(-c2ccnnc2)n1)N1CCCC1 1242045939 KCUVJZYKPFMMEI-UHFFFAOYSA-N 255.281 1.170 0 50 CDAA O=C(NCc1cc2n(n1)CCCC2)[C@@H](CO)c1ccccc1 828678668 ZMNZIZHNZRFWLE-INIZCTEOSA-N 299.374 1.612 0 50 CDAA C[C@H]1CCN(c2nc3ccccc3c(=O)n2CCO)C1 828776332 PSHOCGQUOKLTRG-NSHDSACASA-N 273.336 1.235 0 50 CDAA O[C@@H](CN1CCC(c2ncco2)CC1)c1ccccn1 931446449 TWZRKJFDXVYRMB-AWEZNQCLSA-N 273.336 1.983 0 50 CDAA Cc1cc(Br)cn(Cc2nccc(N)n2)c1=O 225526381 OKBRPMFFRYLEIJ-UHFFFAOYSA-N 295.140 1.340 0 50 CDAA COc1ccc(OCCNC(=O)N2CCCC2)cc1 6703484 TXOBJPIFJZENAN-UHFFFAOYSA-N 264.325 1.879 0 50 CDAA CCC(N)(CC)CNS(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 130051304 KPDXNTGDERSZJA-TXEJJXNPSA-N 291.461 1.316 0 50 CDAA NC1(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)CCCCC1 237901734 OWJWMJMOIDWNJG-STQMWFEESA-N 282.384 1.054 0 50 CDAA O=S(=O)(NCCc1ccc(O)cc1)N1CCCCC1 38031995 RQMHOPDZXDKWPZ-UHFFFAOYSA-N 284.381 1.255 0 50 CDAA CSC[C@H]1CCCN(C(=O)CCCC(=O)O)C1 310545952 UXVDRQNNJVNQJO-JTQLQIEISA-N 259.371 1.843 0 50 CDAA Cc1cc([C@H]2CCCN2CCN2CCN=C2O)on1 328605345 JMXWKQHTTNQAKZ-LLVKDONJSA-N 264.329 1.350 0 50 CDAA CC(C)n1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)n1 571805727 DWGNBUQLNGWVOD-UMNHJUIQSA-N 277.324 1.542 0 50 CDAA Cc1cc(C(=O)NC[C@@H](CC2CC2)C(=O)O)ncn1 577499253 RUJFSOPDLXBRDT-SNVBAGLBSA-N 263.297 1.016 0 50 CDAA Cc1ncc(-c2noc([C@@]3(F)CCO[C@H]3C)n2)c(=N)[nH]1 2325774275 AAXWJNYUWXIJLK-PWCHPLFNSA-N 279.275 1.221 0 50 CDAA CC(C)Cn1cc(CN2CC[C@](O)(c3cc[nH]n3)C2)cn1 2325775578 MBMWDDKFSNAXAZ-OAHLLOKOSA-N 289.383 1.356 0 50 CDAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)c1ccc2c(n1)CCC2 2325779186 NERGOARGBRAANV-UAKXVISKSA-N 272.304 1.163 0 50 CDAA CCNC(=O)c1cc(N2CCOc3ccncc3C2)ccn1 2325806100 UPBFIVQTIOXOSA-UHFFFAOYSA-N 298.346 1.625 0 50 CDAA O=C(c1ccc(OC(F)F)nc1)N1CCn2nccc21 935882291 IOGNZSNCVPTEOQ-UHFFFAOYSA-N 280.234 1.540 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccsc1 451839 SILDBCVSLDIQPZ-JTQLQIEISA-N 266.322 1.891 0 50 CDAA CC1=C(C(=O)N(C)C)[C@H](c2ccc(C)cc2)NC(=S)N1 555755 XNAGLBULKCKQCN-ZDUSSCGKSA-N 289.404 1.876 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2nncc(C)c2C)C[C@H]1O 2356144114 JVDNRQLKZPYUHR-DOMZBBRYSA-N 293.367 1.536 0 50 CDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cncn3C)C[C@H]21 2356165813 PNLOSBKWMKISMB-ZOWXZIJZSA-N 277.368 1.433 0 50 CDAA CCOC(=O)CN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 4289836 YLHGTTRHKJKCOG-RKDXNWHRSA-N 271.700 1.067 0 50 CDAA COc1ccc(OC)c([C@H](C)NC(=O)c2ccnn2C)c1 6731794 KDPIANNQLLZTAV-JTQLQIEISA-N 289.335 1.928 0 50 CDAA CCn1c(S)nnc1CCNC(=O)[C@@H]1C[C@@]1(C)CC 134313929 VZWCDKQIXGUQOH-TVQRCGJNSA-N 282.413 1.682 0 50 CDAA C[C@H](OC(=O)[C@@H]1CC=CCC1)C(=O)NCc1ccccn1 225856751 NSBZJTGWPYPXSJ-QWHCGFSZSA-N 288.347 1.986 0 50 CDAA COCCn1c(CN(C)C(=O)OC)nc2ccccc21 9002096 KZIOHJPEAYWTAT-UHFFFAOYSA-N 277.324 1.881 0 50 CDAA COc1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1 55376398 YXOCOQWKAJXHGA-UHFFFAOYSA-N 298.408 1.410 0 50 CDAA COc1cccc(CN2CCN(C)[C@@H](CCO)C2)c1OC 20452260 PMHABCCNTFPQQH-AWEZNQCLSA-N 294.395 1.202 0 50 CDAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ncccn1 345913774 WCEKXUBUEYQMRH-HZSPNIEDSA-N 277.368 1.493 0 50 CDAA CC(C)Oc1nccnc1N1C[C@@H](CO)OC(C)(C)C1 420609503 KIMAGWKBLIBQRH-NSHDSACASA-N 281.356 1.240 0 50 CDAA CC[C@H](C)[C@@H](C)NC(=O)N1CCCNC(=O)[C@H]1C 248802743 VTPSUNHBDLCOSK-HBNTYKKESA-N 255.362 1.341 0 50 CDAA CC(C)CCN1CCN(Cc2cnn(C)c2)C[C@H]1CCO 104476800 QAWZNOZXRDDSAH-MRXNPFEDSA-N 294.443 1.335 0 50 CDAA Cc1cncc(C(=O)N[C@@H](C)Cc2cnccn2)c1 20996027 ZEXYITVTCQHRNE-NSHDSACASA-N 256.309 1.541 0 50 CDAA Cc1cc(C(=O)NCC2(Cn3ccnc3C)CC2)nc(C)n1 65371578 FGGBSMZWYVUGNH-UHFFFAOYSA-N 299.378 1.809 0 50 CDAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1ccc(CC(C)C)cc1 67650244 BANHQZOLTIPVGG-HOTGVXAUSA-N 289.423 1.533 0 50 CDAA COc1ccc2cc(C=O)c(N3CCOCC3)nc2c1 20110022 NUFAADLKUKWCSN-UHFFFAOYSA-N 272.304 1.893 0 50 CDAA Cc1cc(C)n(NC(=O)c2cccc3c2OCC3)c(=O)c1 67975286 KHIZXSSYLUCCQC-UHFFFAOYSA-N 284.315 1.784 0 50 CDAA CCCc1cc(N(C)C[C@@H]2COCCO2)nc(C)n1 65433446 IKQXVEHULYNFCF-CYBMUJFWSA-N 265.357 1.589 0 50 CDAA CC/C=C/CC(=O)N1CCN(C)C2(CCN(C)CC2)C1 67919843 HPFZNAPUMAESHY-AATRIKPKSA-N 279.428 1.581 0 50 CDAA FC(F)(F)c1ccnc(NCCn2cccn2)n1 69815616 YRAPCJZABLRRKR-UHFFFAOYSA-N 257.219 1.804 0 50 CDAA C[C@@H]1c2ccccc2O[C@@H]1CNC(=N)N1CCOCC1 365818642 VOFGYMJSBKBSTM-BXUZGUMPSA-N 275.352 1.408 0 50 CDAA NC(=O)c1cncc(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 252548974 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50 CDAA CCc1ocnc1C(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 220051945 CXLJCZBBRZQMMQ-YPMHNXCESA-N 294.351 1.551 0 50 CDAA O[C@@H]1CCCN(c2cccc(Br)n2)C1 44120612 INBUDHUQWUBOTL-MRVPVSSYSA-N 257.131 1.805 0 50 CDAA CNS(=O)(=O)CCNC(=O)Nc1cccc(Cl)c1 40636398 KYPIHFBPTKTFRP-UHFFFAOYSA-N 291.760 1.011 0 50 CDAA CN(C)c1ncccc1O[C@H]1CCN(c2cnccn2)C1 292974701 FBTJBSBRURWYOW-LBPRGKRZSA-N 285.351 1.595 0 50 CDAA Cc1cnccc1CN1CC2(CCNCC2)OC1=O 95521639 BEPYDETULYQSGS-UHFFFAOYSA-N 261.325 1.464 0 50 CDAA CCN(CC(F)(F)F)C(=O)c1cnc(OC)nc1 426421841 LBKJASLSMFSJKY-UHFFFAOYSA-N 263.219 1.510 0 50 CDAA CC[C@]1(CO)CCCN(C(=O)c2ccnc(NC)c2)C1 91434837 MIDPKRIKRHWGLB-HNNXBMFYSA-N 277.368 1.748 0 50 CDAA CC1(C)CN(c2nc(CO)cs2)CC[C@]1(C)O 91725903 RXRSGPMCRXPTNC-LBPRGKRZSA-N 256.371 1.623 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccccc1 91656760 SNEIZHMHXURNAF-QWHCGFSZSA-N 284.315 1.955 0 50 CDAA CCOCCC(=O)N1CCC[C@H](c2ccn(CCO)n2)C1 426491035 IGRRNPLFSKLCQF-ZDUSSCGKSA-N 295.383 1.008 0 50 CDAA CN(CCn1ccnc1)[C@H](/C=C/C(C)(C)C)C(=O)O 95391139 WBJANNCWGBHZIL-BTDICHCPSA-N 265.357 1.870 0 50 CDAA COCc1nc(CNc2nc(C)nc3onc(C)c23)no1 95359023 OECBKLRVTCHFTD-UHFFFAOYSA-N 290.283 1.376 0 50 CDAA Cc1ccc(CN[C@H]2CCCNC2=O)c(-c2cnn(C)c2)c1 295126061 XHVIEKZWMXHRRQ-INIZCTEOSA-N 298.390 1.764 0 50 CDAA CN(C)Cc1ccccc1-c1nc2c([nH]1)CCCNC2=O 95520252 WLZOBHNQJPYPHV-UHFFFAOYSA-N 284.363 1.814 0 50 CDAA CN(C)[C@@H](C(=O)NCCCCO)c1cccc(F)c1 91365308 YHDUCNIYPSOCAT-CYBMUJFWSA-N 268.332 1.317 0 50 CDAA CNCc1nnc(NCCc2ccc(OC)c(OC)c2)o1 234419665 OIUVVAJQNUQQKR-UHFFFAOYSA-N 292.339 1.461 0 50 CDAA CN(CCc1cnn(C)c1)Cc1cc(C2CC2)n[nH]1 97213220 IEBPTNDXBVJUIA-UHFFFAOYSA-N 259.357 1.695 0 50 CDAA CCn1ncc(Cl)c1C(=O)N(CC(=O)O)C1CCC1 621581587 UXIFZWKEFXXGPS-UHFFFAOYSA-N 285.731 1.636 0 50 CDAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cccnc2)on1 95355364 IJPIDRQZLNNUKX-OCCSQVGLSA-N 287.319 1.366 0 50 CDAA COCCN(C)CC(=O)NC1(c2ccccc2)CC1 243892355 AGRWOGJNRLUFSH-UHFFFAOYSA-N 262.353 1.370 0 50 CDAA 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C[C@H]1C(=O)OC[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 19219157 VQMWGBQYKSSRDB-BXUZGUMPSA-N 299.330 1.298 0 50 CDAA Cc1cn2nc(C(=O)NCCc3ccccc3)cc2c(=O)[nH]1 169768595 YOGYHKQNMQSIPS-UHFFFAOYSA-N 296.330 1.304 0 50 CDAA CN1CC2(C1)CN(C(=O)c1ccnc3ccccc13)C2 1269546133 AZVXROMHCAKQJT-UHFFFAOYSA-N 267.332 1.622 0 50 CDAA Clc1ccc2ncc(CN3CC(n4ccnn4)C3)n2c1 329522601 GFIJJDGSNOUCCE-UHFFFAOYSA-N 288.742 1.636 0 50 CDAA OCCc1cccc(-c2cnc(N3CCC[C@H](O)C3)nc2)c1 629760601 JGUFEWLJQKKCPI-INIZCTEOSA-N 299.374 1.640 0 50 CDAA Cc1cc(CC(=O)N2CCCC[C@H]2[C@H](C)N)no1 237427563 YTKARWALZJBZIX-JQWIXIFHSA-N 251.330 1.254 0 50 CDAA Nc1nccnc1C(=O)Nc1ccc2[nH]ccc2c1 354817610 AVJMRAJJKOSYMS-UHFFFAOYSA-N 253.265 1.792 0 50 CDAA CO[C@@H](C)c1nsc(N2CCO[C@@]3(CCCOC3)C2)n1 376187687 LRRPEFIRDIHGGD-GWCFXTLKSA-N 299.396 1.631 0 50 CDAA CCc1nc(=NCCc2ccc(F)cn2)s[nH]1 585092259 MASWDJWESVYKEW-UHFFFAOYSA-N 252.318 1.711 0 50 CDAA COc1cc(Br)cnc1C(=O)N(C)OC 35270553 OTKONIFRHMHLGF-UHFFFAOYSA-N 275.102 1.486 0 50 CDAA in-vitro O=C(NC[C@H]1CCC=CO1)c1cc(O)nc(C2CC2)n1 847843970 PGQINBYNIZZHPH-SNVBAGLBSA-N 275.308 1.482 0 50 CDAA Cc1ccc2c(C(=O)N3CCC[C@@H](N)C3)cnn2c1C 911622355 FWQMLHCVKBMHFE-GFCCVEGCSA-N 272.352 1.514 0 50 CDAA O=C(CCc1cnccn1)N1CCCCC[C@H]1CO 828710912 YTOQAOPQFKSDSY-ZDUSSCGKSA-N 263.341 1.173 0 50 CDAA O=C(Cc1ccccc1Cl)NC1(C(=O)O)CC1 203649061 UJPPRQMUNYBIDN-UHFFFAOYSA-N 253.685 1.616 0 50 CDAA Cc1ncc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)[nH]1 230265987 YXXSVPSEEWJVTP-GHMZBOCLSA-N 285.369 1.050 0 50 CDAA C[C@H](CN1CCOCC1)Nc1ccc(C(F)(F)F)nn1 164639978 WQJBWRSPRWJHTD-SECBINFHSA-N 290.289 1.628 0 50 CDAA O=C(O)CC1(NC(=O)C[C@@H]2CCOC2)CCCCC1 401179902 AJQXDPJHPUESBJ-NSHDSACASA-N 269.341 1.707 0 50 CDAA C[C@@]1(CO)CCCN1C(=O)C1Cc2ccccc2C1 515116082 BVOMOODMGFIULV-INIZCTEOSA-N 259.349 1.775 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1ccc2cccnc2n1 617407612 ZUVWERGDOFQBNS-NSHDSACASA-N 257.293 1.539 0 50 CDAA CN(CCc1ccccc1)C(=O)N1CC(C)(C(=O)O)C1 399381824 XBFJKGCGCLRJBC-UHFFFAOYSA-N 276.336 1.687 0 50 CDAA CCc1c(NC(=O)CCCn2cccn2)n[nH]c1C 2100555320 QPPPQIJQRRBULR-UHFFFAOYSA-N 261.329 1.896 0 50 CDAA C[C@H](C(=O)NC[C@@H]1CC[C@H]2C[C@@H]2C1)N1CCCCC1=O 2325758592 XKFOYNJCKGAZLP-MQYQWHSLSA-N 278.396 1.940 0 50 CDAA CC1([C@@H](CO)NC(=O)Cn2ccc3c(N)cccc32)CC1 2325780292 WBLJDIUOWILLNQ-CQSZACIVSA-N 287.363 1.501 0 50 CDAA CC1(c2ccc(F)cc2)CN(C[C@@H](O)Cn2cccn2)C1 2325801523 LWJYSUXYJCNFDA-OAHLLOKOSA-N 289.354 1.657 0 50 CDAA CCCN(CCN1CCCC1)Cc1cnnn1C1CC1 2325829364 HWRLDTASVGUYEO-UHFFFAOYSA-N 277.416 1.921 0 50 CDAA CC(=O)N[C@@H](C)CN(C)C(=O)c1ccc2c(C)[nH]nc2c1 2325879775 HPHCXNNJJNPRES-VIFPVBQESA-N 288.351 1.468 0 50 CDAA CCOC(=O)Cn1c(C)cc(=O)c2cc(OC)ccc21 486915 QGLPWYHEXNFVBQ-UHFFFAOYSA-N 275.304 1.882 0 50 CDAA biogenic COc1cc([C@H](N)CC(=O)O)ccc1OC(C)C 266108 VJANWWLOYWLUTK-SNVBAGLBSA-N 253.298 1.957 0 50 CDAA biogenic COC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 582906 LKISBWMPBKCSOE-LLVKDONJSA-N 285.365 1.631 0 50 CDAA O=C(O)CCCCCN1C(=O)c2ccccc2C1=O 1786709 QJDSLDWVMCWWCO-UHFFFAOYSA-N 261.277 1.928 0 50 CDAA OC[C@@H]1C[C@H](CO)[C@@](F)(C(F)(F)F)C1(F)F 2479081 SDVAIKOZIZPDNI-SRQIZXRXSA-N 252.154 1.513 0 50 CDAA Cc1cc(N2CCC3(CC2)CNC(=O)CO3)cc(C)n1 2356143538 MCDNJNQJLJFZNK-UHFFFAOYSA-N 275.352 1.184 0 50 CDAA Cc1nnc(CN2CCC[C@]23CCCNC3=O)s1 2356147389 UEXROBMNJPNDHB-LBPRGKRZSA-N 266.370 1.091 0 50 CDAA CCNS(=O)(=O)c1ccc(CCC(=O)O)cc1 2870665 MMGPPPRPCDHZIQ-UHFFFAOYSA-N 257.311 1.002 0 50 CDAA CCCOc1ccc(Cc2c(C)[nH]c(=O)[nH]c2=O)cc1 2983075 KWEKWOBDETWSKD-UHFFFAOYSA-N 274.320 1.751 0 50 CDAA CCc1ccc(OC)c(S(=O)(=O)n2ccnc2)c1 4745060 UUHPVOGELYJIOU-UHFFFAOYSA-N 266.322 1.691 0 50 CDAA CC(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCO2)c1 4856947 OVSFFRGLUKLEJM-ZDUSSCGKSA-N 290.319 1.123 0 50 CDAA Cc1ccccc1N1CCN(C(=O)c2ccnn2C)CC1 6715011 YGTCCEPFVPKVMM-UHFFFAOYSA-N 284.363 1.691 0 50 CDAA CC1(C)C[C@@H](NCc2cccc(NS(C)(=O)=O)c2)CO1 417851295 FUYXRKJXNCRZPD-CYBMUJFWSA-N 298.408 1.715 0 50 CDAA CCC(C)(CC)C(=O)NCCn1c(C)nnc1S 134555904 PQUJFROIEJJZEP-UHFFFAOYSA-N 270.402 1.818 0 50 CDAA O=C(O)[C@H]1CN(S(=O)(=O)C2CC2)C[C@@H]1c1ccccc1 282000756 WJLMHKISQMVSMC-OLZOCXBDSA-N 295.360 1.279 0 50 CDAA CC(C)CN1CC[C@H](CNC(=O)c2cccc(=O)[nH]2)C1 67459903 UFHZHEIJOZKHRN-GFCCVEGCSA-N 277.368 1.083 0 50 CDAA Cn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21 100479103 ZHQBCJCMVKLHCD-UHFFFAOYSA-N 298.298 1.767 0 50 CDAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)Cn1cccn1 249689296 JLXXMVFNFGBNBX-UONOGXRCSA-N 276.384 1.358 0 50 CDAA O=C(CN1CCN(Cc2ccc(F)cc2)CC1)NC1CC1 20457826 PPZSERQKYTUQGS-UHFFFAOYSA-N 291.370 1.222 0 50 CDAA COC(=O)c1cc(I)c(F)cc1N 306383836 AQKDYPGTTAXJRF-UHFFFAOYSA-N 295.051 1.799 0 50 CDAA O=c1cc(CN2CCO[C@@H]3CCCC[C@H]32)nc2ccccn12 230082415 UQYUXJJUABAGJR-HUUCEWRRSA-N 299.374 1.838 0 50 CDAA CC[C@H](NC(=O)N1CCCN(CC)C(=O)C1)C(F)(F)F 331867283 AXXIFHLSTVWEHX-VIFPVBQESA-N 295.305 1.591 0 50 CDAA CC(C)CN1CCN(c2nnc(C3CC3)o2)CC1=O 328595802 FHBCHCDHGJDREB-UHFFFAOYSA-N 264.329 1.252 0 50 CDAA CCN1CCCC[C@@H]1C(=O)N[C@H]1CCc2nccn2C1 257365241 AVJZYWUJKFRRSX-QWHCGFSZSA-N 276.384 1.189 0 50 CDAA COCCNC(=O)[C@@H](C)Oc1cccc(C)c1C 30865403 OYWMQBSOKMSIPL-GFCCVEGCSA-N 251.326 1.833 0 50 CDAA Cc1ccc(OCC(=O)Nc2nnn(C)c2C)cc1C 521394799 PJRZQMBJGKZBOP-UHFFFAOYSA-N 274.324 1.758 0 50 CDAA O=C(NC[C@H]1CCn2ccnc2C1)c1ccc(Cl)cn1 328628515 NTLPPCBJOLLGDQ-JTQLQIEISA-N 290.754 1.924 0 50 CDAA Cc1n[nH]cc1CN(C)C[C@H]1CCc2nccn2C1 328636466 OANGIRJJIDAYNL-GFCCVEGCSA-N 259.357 1.609 0 50 CDAA Cc1occc1C(=O)N1CCC(N=c2cncc[nH]2)CC1 364357506 HEHJMTKXPQFYGK-UHFFFAOYSA-N 286.335 1.517 0 50 CDAA Cc1ncc(CN2CCN(c3ccccc3)C(=O)C2)n1C 215804527 CWKHIZAHBKARAN-UHFFFAOYSA-N 284.363 1.577 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1nc2ccc(F)cc2[nH]1 219229702 VCNDMITVEUPEPM-ZYHUDNBSSA-N 293.298 1.236 0 50 CDAA O=[S@@](Cc1ncc(C2CC2)o1)[C@@H]1CCCOC1 329570769 UPQUWHRLIKOQEE-QGHHPUGFSA-N 255.339 1.980 0 50 CDAA O=C1CC[C@H](NCCOc2ccccc2F)C2(CCC2)N1 367114028 MVILRJAMEGLZHU-AWEZNQCLSA-N 292.354 1.995 0 50 CDAA Fc1ccc(N2CCN(c3ncnc4[nH]ccc34)CC2)nc1 367678982 QLIPSBMMPIOBTA-UHFFFAOYSA-N 298.325 1.819 0 50 CDAA CC(C)n1cncc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2 72146126 XRQFMPSMKWPEIW-HNNXBMFYSA-N 292.383 1.881 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCC2(CCOC2=O)CC1 371148590 NIVVKYKZMUBRNU-ZDUSSCGKSA-N 289.331 1.276 0 50 CDAA CC[C@H](NC(=O)/C=C/CN(C)C)c1c(C)noc1C 492251554 XWALVOYLZISGJQ-GUOLPTJISA-N 265.357 1.977 0 50 CDAA CN[C@H]1CCCN(C(=O)c2cc(OC)cs2)C1 128860919 CMRFRTIXFNFPQN-VIFPVBQESA-N 254.355 1.581 0 50 CDAA N[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)C1 158351204 HEJBKLFNKSASLM-LBPRGKRZSA-N 288.326 1.575 0 50 CDAA CN(C)c1ncc(NC(=O)c2occ3c2CCOC3)cn1 376111302 COTJWXYRWXUVJF-UHFFFAOYSA-N 288.307 1.461 0 50 CDAA COC1(CC(=O)N2CCC[C@@H](c3nncn3C)C2)CCC1 376409433 MYUXGKAUXHLDNS-GFCCVEGCSA-N 292.383 1.480 0 50 CDAA C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)C(=O)O 237654530 HYTSCTORFSRYCM-VHSXEESVSA-N 263.293 1.532 0 50 CDAA COCc1ncc(CN2CC(c3ccncc3)C2)cn1 72129672 SYIQJMXGWVUENU-UHFFFAOYSA-N 270.336 1.617 0 50 CDAA Cc1ccc(F)c(OCC(=O)N2CCC[C@H]2CC(=O)O)c1 262863320 FKXIUZXTKWEMGT-NSHDSACASA-N 295.310 1.979 0 50 CDAA Cc1nc(CC(=O)NCCc2c[nH]cn2)cs1 78723536 NMOTWGJVIQYMTB-UHFFFAOYSA-N 250.327 1.076 0 50 CDAA CCC[C@H]1CN(Cc2ccccc2OCCO)C[C@@H]1N 219593664 LOHXLOYKBURVNZ-ZFWWWQNUSA-N 278.396 1.617 0 50 CDAA CC(C)C[C@](C)(CN)NS(=O)(=O)N1CCCCC1 130984850 HJRKKOFCDAGVDR-GFCCVEGCSA-N 277.434 1.070 0 50 CDAA N[C@@H]1CCN(C(=O)OCc2ccccc2)CC1(F)F 221010984 MATYFHSYNPENMM-LLVKDONJSA-N 270.279 1.992 0 50 CDAA CC1(C)CN(CCNC(=O)Nc2ccsc2)CCO1 177707626 TUIWOAAVKMGIFL-UHFFFAOYSA-N 283.397 1.980 0 50 CDAA O=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCc1ccoc1 263547582 UTCIQPKYLANWMC-SCRDCRAPSA-N 277.320 1.924 0 50 CDAA Cc1cc(-n2cnnc2)ncc1-c1c(C)n[nH]c1C 426361703 OBFRGTDKDLJKSK-UHFFFAOYSA-N 254.297 1.978 0 50 CDAA Cc1nc(CNC(=O)Cn2ccnc2)sc1C 220487071 KKCCGMYHLBWOGB-UHFFFAOYSA-N 250.327 1.273 0 50 CDAA Cn1nnnc1-c1cccc(NC(=O)c2cccc(N)c2)c1 192769805 ARYGRAJTHXCDQG-UHFFFAOYSA-N 294.318 1.712 0 50 CDAA O=C(NCCCn1ccccc1=O)c1nc2ccccc2[nH]1 426489563 BXAOVSRPHAJUAD-UHFFFAOYSA-N 296.330 1.545 0 50 CDAA Cc1nc(C)c(Cn2cnnc2[S@@](C)=O)s1 332598958 ALPXMGILGAYQBB-MRXNPFEDSA-N 256.356 1.137 0 50 CDAA CC(C)C[C@H](CC(=O)O)NC(=O)c1n[nH]cc1Cl 426537364 ANBKBBQCSZIXPO-SSDOTTSWSA-N 273.720 1.682 0 50 CDAA c1cc(-n2nc([C@@H]3CCOC3)nc2CN2CCCC2)ccn1 97657385 MGXJDZIEWMKZPD-CYBMUJFWSA-N 299.378 1.762 0 50 CDAA O=C(CCc1cnccn1)NCCCn1cc(Cl)cn1 426421154 LWSSMHVTNNLOTC-UHFFFAOYSA-N 293.758 1.466 0 50 CDAA CCN1CCC[C@H]1CN(C)CC1(CO)CCCC1 92672537 XYLPKQVYOPPDKW-AWEZNQCLSA-N 254.418 1.955 0 50 CDAA C/C=C/CN1CCN(Cc2ccccc2)C[C@H](O)C1 95496984 WDSROIIQWISPAJ-WOMSROEHSA-N 260.381 1.741 0 50 CDAA COCCC[C@]1(CO)CCCN(C(=O)c2ccc[nH]2)C1 91650620 QCTHGSACWZDNQM-OAHLLOKOSA-N 280.368 1.656 0 50 CDAA O=C1CCCCN1CCc1nc(-c2cccnn2)no1 92022436 VOHUTBQBTOUNAV-UHFFFAOYSA-N 273.296 1.082 0 50 CDAA CCc1ncc(C(=O)N2CCc3[nH]nc(CC)c3C2)cn1 95364003 ROIXDPORVLKVPZ-UHFFFAOYSA-N 285.351 1.523 0 50 CDAA CCn1cncc1CN1CC(N2CCCC[C@@H]2C)C1 244719184 LYKRMGXALITQMG-ZDUSSCGKSA-N 262.401 1.962 0 50 CDAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(C(C)C)nn1C 252551345 UCQDEZOEFZOREP-CMPLNLGQSA-N 267.373 1.680 0 50 CDAA COC(=O)CCN1CCN(c2ccccc2OC)CC1 52710531 DEPQFAKIZCGVIC-UHFFFAOYSA-N 278.352 1.380 0 50 CDAA COCc1cc(C(=O)N2CC[C@@H](CN)C2)ccc1F 299740395 ZGKHAPRGMDBCAK-JTQLQIEISA-N 266.316 1.393 0 50 CDAA O=[IH2]c1ccccc1C(=O)O 253497329 IFPHDUVGLXEIOQ-UHFFFAOYSA-N 266.034 1.335 0 50 CDAA in-vitro CC(C)n1nccc1S(=O)(=O)N[C@@H](C)c1cccnc1 534579790 LTIKDQVNGSHGMO-NSHDSACASA-N 294.380 1.899 0 50 CDAA CCn1nc(C(C)C)cc1C(=O)NCCn1ccnn1 534671179 FAQSYARVGIXVKG-UHFFFAOYSA-N 276.344 1.048 0 50 CDAA CN1CCCN(CC[C@H]2CC2(F)F)CC12CCNCC2 534667438 PDGFFNHGEQDFIX-ZDUSSCGKSA-N 287.398 1.791 0 50 CDAA Cc1c(CNC(=O)C[C@H]2CNCCO2)oc2ccccc12 269237359 XDMHZTVZWYQGPN-LBPRGKRZSA-N 288.347 1.736 0 50 CDAA Cc1nnc([C@H](C)NC(=O)c2ccn(C(C)C)n2)[nH]1 286384435 NIZPOAZUZXDLDV-QMMMGPOBSA-N 262.317 1.382 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)Nc1cccc(F)c1C 299783729 XVMSGHMUTFWVAG-KBPBESRZSA-N 295.358 1.975 0 50 CDAA C[C@H]1CN(c2cc([C@H]3CCOC3)ncn2)C[C@@H](C)O1 299763214 XUGWZFUULYDLNY-TUAOUCFPSA-N 263.341 1.594 0 50 CDAA CCOC(=O)c1c[nH]c2c(OC)c(OC)ccc2c1=O 141716296 MMSQYVSVWYZUKA-UHFFFAOYSA-N 277.276 1.722 0 50 CDAA COCc1nc(-c2cn3c(C)cccc3n2)n(CCO)n1 828778264 CHKFOSCIJFLBQC-UHFFFAOYSA-N 287.323 1.040 0 50 CDAA O=S(=O)(CCc1cn[nH]c1)c1ccc2c(c1)OCCO2 585136894 YATRNNQCKFDGBY-UHFFFAOYSA-N 294.332 1.197 0 50 CDAA COCC[C@H]1CN(C(=O)CCc2n[nH]c(C)c2C)CCO1 584896822 INSIJVVEQJLDEK-ZDUSSCGKSA-N 295.383 1.223 0 50 CDAA O=c1c2cccnc2ncn1CCCn1ccnc1 584899259 VTEJWWLFWJATJA-UHFFFAOYSA-N 255.281 1.078 0 50 CDAA CC1(CNC(=O)CCCc2cn[nH]c2)CCOCC1 584903956 DKPWDVQZFAIZPH-UHFFFAOYSA-N 265.357 1.665 0 50 CDAA Cc1ccc2nc(CN(C)CCn3cnnc3C)[nH]c2c1 670461268 BABJTIRVPPYDRZ-UHFFFAOYSA-N 284.367 1.903 0 50 CDAA Cc1[nH]nc(C(=O)N[C@@H](CCO)C(C)C)c1C(F)(F)F 863948120 ISICJTAUECLCKY-QMMMGPOBSA-N 293.289 1.874 0 50 CDAA CCCc1nc(NCCCN2CCC(O)CC2)no1 670433941 ROOBZMOMYUMPCP-UHFFFAOYSA-N 268.361 1.281 0 50 CDAA Cc1nnc(SCC(=O)N2CCOC(C)(C)C2)o1 584890506 VBAIIUMAROOGQB-UHFFFAOYSA-N 271.342 1.108 0 50 CDAA COc1ccc(F)c(F)c1CN1CCCNC(=O)C1 670453215 UGQDQPZODZKLDS-UHFFFAOYSA-N 270.279 1.295 0 50 CDAA CC(C)=CCN1CCC(CNC(=O)[C@@H]2CCCN2C)CC1 1001265498 TZUQJWFDMKBMEG-INIZCTEOSA-N 293.455 1.875 0 50 CDAA CCOC(=O)c1nn(Cc2ccncc2)c2c1CNCC2 67804763 ULNRDTLZKJSQML-UHFFFAOYSA-N 286.335 1.149 0 50 CDAA Cn1cnc2cncc(C(=O)NC[C@H]3CC4(CC4)CO3)c21 1875297405 OTOYSLJTVOMUKF-SNVBAGLBSA-N 286.335 1.267 0 50 CDAA CC[C@@H]1CN(C(=O)CCc2cc[nH]n2)C[C@H](C)[S@]1=O 1875294705 UORHPIBZAZPOAL-KFHAODIQSA-N 283.397 1.100 0 50 CDAA COc1ccc(N2C(=O)N[C@]3(CC[C@@H](C)C3)C2=O)nn1 1875283008 BDGGXHXIABHTOC-OQPBUACISA-N 276.296 1.100 0 50 CDAA CCc1c(C)[nH][nH]c1=NCc1cc(OC)ns1 1875284059 MMHKQPOVROFLDR-UHFFFAOYSA-N 252.343 1.780 0 50 CDAA CC[C@H]1CC2(CCC2)CN1C(=O)c1cn(C)c(=O)n1C 1875296189 JPJNMWRMZPZORV-NSHDSACASA-N 277.368 1.519 0 50 CDAA CCNC(=O)CN(C)CC1([C@@H]2CCCCO2)CCC1 952994899 WGHLIBIWBXPAGJ-ZDUSSCGKSA-N 268.401 1.794 0 50 CDAA CCOC(=O)N1C[C@@H](C)N(C(=O)OCC)C[C@@H]1C 16246939 SWGPJPNOQKWDKT-AOOOYVTPSA-N 258.318 1.694 0 50 CDAA CCc1nc(C)c(CNCCN2CCC[C@H](CO)C2)[nH]1 952982468 XGMDJLRKNIUQSF-ZDUSSCGKSA-N 280.416 1.074 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)N[C@H](C)CO)cc1 952985146 CPNMJGRSAVFSAS-LLVKDONJSA-N 250.342 1.683 0 50 CDAA CCCN1C[C@@H](NCc2cc(C(C)=O)cn2C)CC1=O 952971475 ONNRECWOQZGAGN-ZDUSSCGKSA-N 277.368 1.328 0 50 CDAA CC[C@H](OC)C(=O)Nc1ccc(Oc2nn[nH]n2)cc1 952975420 VXBHXBVVJUKAHW-JTQLQIEISA-N 277.284 1.356 0 50 CDAA CC(C)C1=NO[C@H](C(=O)N2CC(N3CCCCC3)C2)C1 952874050 UADOMZNXVSQQFK-AWEZNQCLSA-N 279.384 1.484 0 50 CDAA Cc1cccnc1CN(C)S(=O)(=O)c1cccnc1 952869834 MOKVUUYHTROZBM-UHFFFAOYSA-N 277.349 1.606 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H]2c2ccc(N)nn2)n(C)n1 888077008 CIYSLWNLXTUGQY-NSHDSACASA-N 286.339 1.078 0 50 CDAA O=C(N[C@@H]1CCCc2cccnc21)c1cnn2c1OCCC2 885361984 NUBOJYTXORNGPE-CYBMUJFWSA-N 298.346 1.868 0 50 CDAA CC(=O)N1C[C@@H](NC2CCOCC2)CC[C@H]1C(F)(F)F 886035959 VHNGPFKOKFXURP-RYUDHWBXSA-N 294.317 1.697 0 50 CDAA NC(=O)c1c[nH]ccc1=NC[C@]1(c2ccccc2)C[C@H](O)C1 895594226 LGDOTKKZOYRVRH-WJYNOGRTSA-N 297.358 1.107 0 50 CDAA CN(C)[C@H]1CCN(Cc2ccccn2)C[C@H]1CCC(=O)O 1565505744 FWYNSBSXXSQIGN-HIFRSBDPSA-N 291.395 1.699 0 50 CDAA CC(C)n1nccc1C(=O)N[C@H]1CC=CC[C@@H]1C(N)=O 1565530448 SCNWOLSDILBHSS-QWRGUYRKSA-N 276.340 1.014 0 50 CDAA O[C@@H](CN1CCCC[C@H]1c1nccs1)Cn1cccn1 249868643 IYJNWOKZTXSGRO-STQMWFEESA-N 292.408 1.928 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCO[C@@H](CC(=O)O)C2)s1 269052006 VRYLCRIEYYWJGE-PBKGFPTLSA-N 296.348 1.167 0 50 CDAA CNC(=O)Cn1nc(NCc2cc(C)nc(C)c2)cc1C 1365393516 SDXOHMXIPSCIKM-UHFFFAOYSA-N 287.367 1.561 0 50 CDAA CNC[C@@H]1CCCN1C(=O)/C=C/c1cnc(C)s1 269191402 LZYJJYKWGVQIEN-QRGHLMKCSA-N 265.382 1.675 0 50 CDAA CC(=O)N1CCC(NC(=O)N2CCC=C(F)C2)CC1 408151410 VKICYDUJLDWGJN-UHFFFAOYSA-N 269.320 1.266 0 50 CDAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@@H](C(=O)O)C1 218273071 MZAZRHHVPIYDCF-OPQQBVKSSA-N 291.303 1.148 0 50 CDAA Nc1c(Cl)ncn2c(OCC[C@@H]3CCCO3)nnc12 408525154 NMRZCVCSWQYUHF-ZETCQYMHSA-N 283.719 1.308 0 50 CDAA C/C=C(\C)C(=O)O[C@H]1CCC[C@@H](S(C)(=O)=O)C1 222007731 SJAYHIRBFZOKFR-LTJOXERKSA-N 260.355 1.852 0 50 CDAA CN1CCN(C(=O)c2cccs2)C[C@@H]1c1nccn1C 276786288 VCCGXEXRYJLECM-LLVKDONJSA-N 290.392 1.611 0 50 CDAA NC(=O)c1c[nH]c(C(=O)N2CCC(OCC3CC3)CC2)c1 170020980 CEWLYKUNZXKWKT-UHFFFAOYSA-N 291.351 1.145 0 50 CDAA CCC(=O)NCc1cn(Cc2c(C)cc(C)nc2C)nn1 641187871 VUUIZHVEFNDTAJ-UHFFFAOYSA-N 287.367 1.673 0 50 CDAA CC(C)Oc1cccc(C(=O)N[C@@](C)(C(=O)O)C2CC2)n1 191062320 RJQXQKDJDCWDHO-OAHLLOKOSA-N 292.335 1.852 0 50 CDAA CN(C)C(=O)C[C@@]1(O)CCCN(CCc2ccccc2)C1 643753978 QQCLQJBOXMOQTI-KRWDZBQOSA-N 290.407 1.534 0 50 CDAA O=C(Nc1cnns1)N1CC[C@](O)(C(F)(F)F)C1 192329241 TZLZMIYQOHTJFJ-SSDOTTSWSA-N 282.247 1.069 0 50 CDAA Cc1ncc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)c(C)n1 192941776 CLYDWHIXWBEXMA-ZDUSSCGKSA-N 297.314 1.922 0 50 CDAA O=C(O)c1ccc(C(=O)N[C@@H]2CCCOCC2)cc1 192970773 CGLGVNGEVIVESX-GFCCVEGCSA-N 263.293 1.684 0 50 CDAA c1cnn(-c2ccc(CN3CCOC[C@@]34CCOC4)cc2)c1 193706757 NASWWPWXLKDJDW-KRWDZBQOSA-N 299.374 1.864 0 50 CDAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)C1 653281106 YNXSGCKLAWJSKL-TUAOUCFPSA-N 297.351 1.591 0 50 CDAA Cc1cc(F)c(C(=O)O)c(NS(=O)(=O)N(C)C)c1 663267282 QKNZJUVUBOAKPS-UHFFFAOYSA-N 276.289 1.051 0 50 CDAA CC(C)c1nnc(N2CCC(N3CCCOCC3)CC2)o1 664007689 CXTMVBZOTCPQGC-UHFFFAOYSA-N 294.399 1.884 0 50 CDAA CS[C@H](C)Cc1nc(-c2nc(=N)cc[nH]2)no1 585085416 LBACGFIUYRMYAD-ZCFIWIBFSA-N 251.315 1.233 0 50 CDAA COCn1cc(NC(=O)CCNC(=O)OC(C)(C)C)cn1 585088293 UBHDEBFPNDTFKZ-UHFFFAOYSA-N 298.343 1.340 0 50 CDAA C[C@@H]1CC(=O)C[C@H](C2CC2)N1C(=O)[C@H]1CCCO1 585124999 CQCBUBCTOLURNU-OASPWFOLSA-N 251.326 1.524 0 50 CDAA COCCOc1cccc(C(=O)NCCc2cnoc2)c1 585131465 WWGDDLFXFMWQNG-UHFFFAOYSA-N 290.319 1.672 0 50 CDAA CS(=O)(=O)c1ccc(-c2cncc(O)c2)nc1 1236577338 GDUUTMVVGKGCIC-UHFFFAOYSA-N 250.279 1.253 0 50 CDAA CC(C)CS(=O)(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704303724 OCRBKWWELCPVCM-ZIAGYGMSSA-N 298.408 1.215 0 50 CDAA Cc1cncc(N[C@H]2COC[C@H]2Cc2ccncc2)n1 1704360440 YPIUNTWSPRRQGR-KGLIPLIRSA-N 270.336 1.850 0 50 CDAA Cc1cnc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cn1 1615936988 XDQRVWDCUOJQPI-HIFRSBDPSA-N 298.346 1.168 0 50 CDAA COCCn1nc([C@H](C)O)nc1-c1cnc(C)cc1C 1857676376 RQJYGYWVHMMYRA-NSHDSACASA-N 276.340 1.657 0 50 CDAA Cc1ccc(NC(=O)CS(=O)(=O)C2CC2)c(C)n1 934501374 PBNLAAWLBPDUJA-UHFFFAOYSA-N 268.338 1.214 0 50 CDAA O=C(c1ncc[nH]1)N1CCCN(C2CCCCC2)CC1 1857681740 DSIICLZSJFAFJA-UHFFFAOYSA-N 276.384 1.890 0 50 CDAA CN(C)C[C@@]1(O)CCN(C(=O)CC2=CCCC2)C1 1857690314 GOPLQPCKXYSXFJ-AWEZNQCLSA-N 252.358 1.012 0 50 CDAA COC[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2C)CC1 334776717 VFBNQTPVQZSGJY-GFCCVEGCSA-N 265.357 1.915 0 50 CDAA COC(=O)CC(=O)CNC(=O)OCc1ccccc1 15783605 DGJHWQHYAQUXCK-UHFFFAOYSA-N 265.265 1.045 0 50 CDAA in-vitro CC(C)(NC(=O)c1cnc(C2CC2)o1)[C@@H](O)C(F)(F)F 1615549453 REXRGXKQZJECDF-SNVBAGLBSA-N 292.257 1.984 0 50 CDAA Cn1nnc(CN2CCC[C@](O)(c3ccccc3)CC2)n1 1615566522 BIPZSIULOLBCEH-OAHLLOKOSA-N 287.367 1.084 0 50 CDAA CC(=O)NCCN(C)C(=O)C1(Cc2ccc(O)cc2)CC1 1616036663 ZIKJHAMYZMVCQB-UHFFFAOYSA-N 290.363 1.309 0 50 CDAA c1ccc2c(c1)Cn1c(nnc1[C@@H]1CCCNC1)CO2 1772808000 DXALVKMKGPZPED-LLVKDONJSA-N 270.336 1.686 0 50 CDAA O=C(O)CCCn1nnc(-c2ccc(F)cc2)n1 5864296 QWCJMBUMFWOOPS-UHFFFAOYSA-N 250.233 1.344 0 50 CDAA O=C(Cn1cccn1)N1CCO[C@@H](Cc2ccccc2)C1 12298003 XEVMTRPLDNQXNB-HNNXBMFYSA-N 285.347 1.353 0 50 CDAA O=C(CSc1nccc(=O)[nH]1)c1cccs1 15379027 NDSPDZDJVKHPDF-UHFFFAOYSA-N 252.320 1.806 0 50 CDAA C[C@H]1Oc2ccc(C(=O)CCC(=O)O)cc2N(C)C1=O 19776045 RKJZDKGWLYIRHA-MRVPVSSYSA-N 277.276 1.478 0 50 CDAA CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccnc1 1857532181 NPDWBZSXWCPOSL-VOAKCMCISA-N 260.337 1.461 0 50 CDAA CN(C)[C@H]1CCN(c2cc(C(N)=O)c3ccccc3n2)C1 1857673975 VIEOAGCXTYMQNM-NSHDSACASA-N 284.363 1.474 0 50 CDAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1nsnc1C 1857670181 ZMAFGYVREZQNTL-IGJMFERPSA-N 295.364 1.704 0 50 CDAA CN1CCO[C@@]2(CCN(Cc3cccc4ccnn34)C2)C1 1857673571 OJJRGVKOJHGHRP-INIZCTEOSA-N 286.379 1.241 0 50 CDAA N=c1[nH]nc(N2CCc3[nH]nc(-c4ccccc4)c3C2)s1 1857680520 KIBBNUKBTABKAQ-UHFFFAOYSA-N 298.375 1.903 0 50 CDAA c1cc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)n[nH]1 1857683833 ZWIIURTZOPPOIL-CQSZACIVSA-N 257.341 1.613 0 50 CDAA CN1CCOC2(CCN(C(=O)c3cnsc3)CC2)C1 1857691076 YNRXLLOSVHFFIT-UHFFFAOYSA-N 281.381 1.080 0 50 CDAA CN(C(=O)[C@H]1CC[C@@H](O)[C@H](N)C1)C1Cc2ccccc2C1 1875246040 XZTRUIATVVMRJQ-NUEKZKHPSA-N 288.391 1.101 0 50 CDAA CCC[C@]1(CO)CCN(C(=O)c2c(C)noc2C)C[C@H]1O 1875246249 CIPZMTGHKDGAAK-IUODEOHRSA-N 296.367 1.277 0 50 CDAA O=C1NCCCC[C@H]1NC(=O)C1(c2cccc(F)c2)CC1 115025874 ZDOGJNLCTKNILE-CYBMUJFWSA-N 290.338 1.642 0 50 CDAA Cn1ccnc1[C@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 331976045 VKEQAROAEGZTRV-AVGNSLFASA-N 292.383 1.223 0 50 CDAA O=C(COCc1ccccc1Cl)NC1(C(=O)O)CCC1 238083442 WWLSUKCTNURKFP-UHFFFAOYSA-N 297.738 1.980 0 50 CDAA Cc1cccc(N2CCN(c3ncccc3C(N)=O)CC2)n1 153088070 QPHGSSWAKIELFE-UHFFFAOYSA-N 297.362 1.211 0 50 CDAA C[C@]1(C(=O)O)CCCCN1C(=O)c1ccn(C(F)F)n1 244787550 PZFSYJOFHAUWIX-GFCCVEGCSA-N 287.266 1.748 0 50 CDAA Cn1cnc(-c2cccc(NC(=O)CC3(N)CC3)c2)n1 662803844 MPSOUIRSVYOWRS-UHFFFAOYSA-N 271.324 1.302 0 50 CDAA CCNC(=O)C1CN(C(=O)Cc2ccc(Cl)s2)C1 252497785 QPRKBYHESFULTG-UHFFFAOYSA-N 286.784 1.539 0 50 CDAA Cc1ccc(CC(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)cn1 262387516 QIGTUYAWUDVGGM-CYBMUJFWSA-N 288.347 1.646 0 50 CDAA O=C(NCCc1ccccn1)C12CCCN(CCC1)C2 585121141 HATZKQMDDQTGFI-UHFFFAOYSA-N 273.380 1.616 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(N)s1 621696 DJDQUXBMYIVMOM-SFYZADRCSA-N 286.426 1.907 0 50 CDAA CCCc1cc(=NC(=O)[C@]2(N)CCC[C@H]3C[C@H]32)[nH][nH]1 1875287935 GZCLHCFJDBGBQX-PXWWUCIGSA-N 262.357 1.240 0 50 CDAA COc1ccccc1-c1cn(CC[C@H]2CCNC2=O)nn1 902917729 CBMJGAUSBVJBSZ-LLVKDONJSA-N 286.335 1.480 0 50 CDAA CN1CCC[C@]2(CO)CCN(Cc3ccccc3)C[C@@H]12 1704305259 PFBQZTGJOGOIPR-IAGOWNOFSA-N 274.408 1.965 0 50 CDAA O=C(NCC(F)(F)F)[C@H]1NCCOc2ccccc21 912451204 DCVOOQGKBHTKKE-JTQLQIEISA-N 274.242 1.388 0 50 CDAA CCC1(CC)CNC(=O)[C@@H]1Nc1ncncc1Cl 929084794 LXFPWAZROBUQLE-VIFPVBQESA-N 268.748 1.847 0 50 CDAA Cn1nnc(NC(=O)N2CCC(c3ccccc3)CC2)n1 932274348 DKJXOYJKFKWJSN-UHFFFAOYSA-N 286.339 1.622 0 50 CDAA Cc1cnc(CNC(=O)c2ccncc2)c(C)c1O 218982491 JVRJSYXKWMHDCH-UHFFFAOYSA-N 257.293 1.729 0 50 CDAA CCOCCCN1CCC[C@H](c2nnc3n2CCC3)C1 120360335 PQPJAPNGWKOWFU-ZDUSSCGKSA-N 278.400 1.830 0 50 CDAA C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCOCC1 12380524 YQLLHRHKGDASJH-SECBINFHSA-N 271.263 1.591 0 50 CDAA C[C@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H](C)N1 153198525 KTHZFEOGFVSYEN-TXEJJXNPSA-N 272.352 1.086 0 50 CDAA COC(C)(C)C(=O)NCc1ccc(C(=O)O)s1 263164006 IPKKYJIQVXOHKO-UHFFFAOYSA-N 257.311 1.488 0 50 CDAA O=C(O)CC[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 165181779 PWYQWFIBIFQYJM-SNVBAGLBSA-N 280.299 1.938 0 50 CDAA Cn1c(CN)nnc1SCCOc1ccc(F)cc1 71374088 MJKPNDATSZTLRO-UHFFFAOYSA-N 282.344 1.584 0 50 CDAA O=C(O)C1(O)CCN(c2cccc(C(F)(F)F)n2)CC1 576879507 NRRHJMPYCNCZJA-UHFFFAOYSA-N 290.241 1.516 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@](C)(C(=O)O)C2)nn1 396427636 OODNFMQQRNFRFQ-ZDUSSCGKSA-N 263.297 1.112 0 50 CDAA CN1C[C@@H]2CC[C@H](C1)C2NCC1(CCO)CCOCC1 2325763213 JZSDOBPSOOETNR-YIONKMFJSA-N 282.428 1.095 0 50 CDAA CCCc1cnc(NC(=O)[C@H]2CCCCNC2=O)s1 2325778527 CPOMTZDMHASWNU-JTQLQIEISA-N 281.381 1.950 0 50 CDAA O=C(N[C@@H]1COC[C@H]1C(=O)c1ccccc1)OC1CC1 2325782588 KLLDSLVFGKSXDW-CHWSQXEVSA-N 275.304 1.773 0 50 CDAA CN1CC[C@@H](CNC(=O)c2n[nH]cc2-c2ccncc2)C1 2325798065 KZRHUBGRMAIOLD-NSHDSACASA-N 285.351 1.153 0 50 CDAA C[C@@H]1NC(=O)CC[C@H]1CNC(=O)C(=O)C1CCCCC1 2325811345 QNCSUZSVLZGXMU-JQWIXIFHSA-N 280.368 1.167 0 50 CDAA O=C(Nc1nnnn1C1CC1)[C@H]1CCc2ccccc2C1 905846705 BILUVRZQEHWUFA-LBPRGKRZSA-N 283.335 1.752 0 50 CDAA O=C(c1ccccn1)N1CCN(C(=O)c2ccccn2)CC1 22418 XJMVXWNSBCEPCJ-UHFFFAOYSA-N 296.330 1.075 0 50 CDAA CCC[C@H](C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 30904 SRDIUQZKAHGSGB-JTQLQIEISA-N 284.381 1.386 0 50 CDAA CC1(C)CC(=O)[C@H]([C@@]2(O)C(=O)Nc3ccccc32)CO1 100061 KZVVSRYIOMVFDW-MEBBXXQBSA-N 275.304 1.211 0 50 CDAA Cc1cccc(OCC(=O)NC[C@H]2CCCO2)c1C 122166 UPMPQBZVCYDMQF-CYBMUJFWSA-N 263.337 1.977 0 50 CDAA C[C@@H]1CCc2c(sc3ncn(CCO)c(=O)c23)C1 150406 NLPZWPPSDTUKAJ-MRVPVSSYSA-N 264.350 1.575 0 50 CDAA O=C(c1ccccc1)N1C(=O)c2ccccc2S1(=O)=O 240353 RMESWYTZUADOFK-UHFFFAOYSA-N 287.296 1.672 0 50 CDAA O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1 411451 DIXRWFICLYMDRO-UHFFFAOYSA-N 279.303 1.979 0 50 CDAA CCOC(=O)c1cnn(Cc2ccc(C)cc2)c1N 531424 GRZBHWKKQUNVTJ-UHFFFAOYSA-N 259.309 1.999 0 50 CDAA COC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 444078 TUZMRNSCBACKQZ-UHFFFAOYSA-N 271.338 1.242 0 50 CDAA Nc1nncn1C(=O)c1ccc(Br)cc1 460989 ZBPSZFCTTPPQNJ-UHFFFAOYSA-N 267.086 1.311 0 50 CDAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(O)nn1 1422701 LRERCMFRHACGAL-UHFFFAOYSA-N 273.248 1.206 0 50 CDAA OCCNC(=S)Nc1ccc(-c2nnc(S)o2)cc1 1953252 JAAXABKHRSXYMA-UHFFFAOYSA-N 296.377 1.304 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2049222 CNBUSIJNWNXLQQ-NSHDSACASA-N 281.308 1.913 0 50 CDAA biogenic,in-vitro N[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 2384910 HABVYSACTSEIEL-LBPRGKRZSA-N 258.277 1.580 0 50 CDAA COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCNCC1 2527603 YMRAMAYADDQJIS-SNVBAGLBSA-N 272.345 1.052 0 50 CDAA NC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2c1CCC2 2872495 RFMLAKZJWGLPEF-MRVPVSSYSA-N 280.349 1.453 0 50 CDAA Cc1c(N2C(=O)CCCC2=O)c(=O)n(-c2ccccc2)n1C 2874974 IYLLYMKJXBEWAY-UHFFFAOYSA-N 299.330 1.528 0 50 CDAA CCn1cc(-c2nnc3n2[C@@H](C)C(=O)N(C2CC2)C3)cn1 2356162525 MAHPKDZFTBROHV-VIFPVBQESA-N 286.339 1.227 0 50 CDAA COC(=O)CSc1nc(C)c2c(n1)CCCC2 4124856 HMTHAMMAJRBADT-UHFFFAOYSA-N 252.339 1.929 0 50 CDAA Cc1ccc(C(=O)NCCNC(=O)c2ccncc2)cc1C 4487333 MOVNAXLFVDXEOA-UHFFFAOYSA-N 297.358 1.858 0 50 CDAA COC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 4868020 GICWWZRRGPWNPK-MRVPVSSYSA-N 291.756 1.668 0 50 CDAA CO[C@@H](C)C(=O)O[C@H](C)c1cnc(C2OCCO2)s1 225692111 YPYJNVRFZFTMTE-SFYZADRCSA-N 287.337 1.828 0 50 CDAA O=c1cc(CSc2ccccn2)[nH]c2ncnn12 100069628 OWSNTXJBAWHZGT-UHFFFAOYSA-N 259.294 1.105 0 50 CDAA COCCN(Cc1ccccn1)C(=O)[C@H](C)n1ccnc1 56984904 PBQUDJNPUDIWHY-ZDUSSCGKSA-N 288.351 1.514 0 50 CDAA COC[C@@H]1CCCN1Cc1ccccc1-c1nnn[nH]1 20911557 JCRDGXZZKHMWID-LBPRGKRZSA-N 273.340 1.478 0 50 CDAA CSCC[C@H](CO)NC(=O)c1ccc2nccnc2c1 119157505 WHSCNHSIVOFXLJ-LLVKDONJSA-N 291.376 1.474 0 50 CDAA O=c1c2c3c(sc2ncn1Cc1ccncc1)CNCC3 65398652 NJLBTGQEQYXZGW-UHFFFAOYSA-N 298.371 1.547 0 50 CDAA CCc1nnc(CNC(=O)c2cc(C3CC3)n[nH]2)s1 67674760 KGJNALCEJCDGTL-UHFFFAOYSA-N 277.353 1.631 0 50 CDAA CCNc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](N)C2)s1 67833894 SPAVYJXUXIIIJO-RKDXNWHRSA-N 268.386 1.493 0 50 CDAA COc1ccc2oc(=O)cc(CN3CCOCC3)c2c1 20446871 SQROKFLDTKKJIF-UHFFFAOYSA-N 275.304 1.634 0 50 CDAA CC(C)C(=O)N1CCC(n2cc(C(C)(C)O)nn2)CC1 48284528 PTRLSWZRTFQZLY-UHFFFAOYSA-N 280.372 1.325 0 50 CDAA CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 67620501 DICRNKMKEDRMQD-UHFFFAOYSA-N 282.365 1.366 0 50 CDAA CCc1cccc(OCCN2C[C@@H](OC)C[C@H]2C(N)=O)c1 284467245 ALTZHKNKJQIERG-GJZGRUSLSA-N 292.379 1.202 0 50 CDAA O=C(CN1C(=O)COc2ccccc21)N1CCCC1 537122 SLWWADXNGRWGCR-UHFFFAOYSA-N 260.293 1.034 0 50 CDAA CCCn1ncc(C(=O)N2CC[C@H](C(=O)NCC)C2)c1C 65395105 PJEYDUGBFWIJBP-LBPRGKRZSA-N 292.383 1.200 0 50 CDAA O=C(NCCNC[C@@H]1CC=CCC1)c1ncccc1O 230459396 LINFQBYSYBOKKQ-GFCCVEGCSA-N 275.352 1.463 0 50 CDAA O[C@H]1C[C@@H]2CN(CC[C@@H](O)c3ccccc3)C[C@@H]2C[C@@H]1O 72157521 CTPNBONZRPQBNG-ALYAQQCSSA-N 291.391 1.174 0 50 CDAA OC[C@H]1CCCN1c1cc(NCC[C@H]2CCCO2)ncn1 257365195 HFIBCFSPSGJWCT-CHWSQXEVSA-N 292.383 1.419 0 50 CDAA NCCCCCCC(=O)N[C@H]1CCCC[C@@H]1CO 231317042 STRKIGVDDQOXTM-OLZOCXBDSA-N 256.390 1.563 0 50 CDAA Cc1nccc(N2C[C@@H](CN)[C@H](c3ccccc3)C2)n1 328307065 ZARPPNNNCCPCRJ-CABCVRRESA-N 268.364 1.964 0 50 CDAA C[C@@H]1CCCCN1c1cc(C(=O)N(C)CC(=O)O)ccn1 153126315 RZAZNPNIIGBOJB-LLVKDONJSA-N 291.351 1.617 0 50 CDAA COc1ccccc1CC(=O)NCCc1ccnn1C 185856726 XORCPZHBAHQXOK-UHFFFAOYSA-N 273.336 1.330 0 50 CDAA Cc1nc([C@H](C)n2cnc3c(C)csc3c2=O)n[nH]1 32529884 XFXJSORZKSFORA-ZETCQYMHSA-N 275.337 1.802 0 50 CDAA CCCCO[C@H](C)C(=O)N1CCO[C@H](c2nnc(C)o2)C1 328610273 HEOKHWNBDRZXAB-PWSUYJOCSA-N 297.355 1.483 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H](C)Oc2cccnc2)C[C@@H](C)N1 153974822 DNTJGVCUHDJLMT-IJLUTSLNSA-N 263.341 1.058 0 50 CDAA C[C@]12CCN(C(=O)[C@H]3CCc4nn[nH]c4C3)C[C@@H]1C2(F)F 329174013 LSCSMQSUBDTPSF-QWRKXWFKSA-N 296.321 1.413 0 50 CDAA CCc1nnc(NC(=O)N(C)CC2(O)CCCC2)s1 154665096 LQTRVBSINDZYEA-UHFFFAOYSA-N 284.385 1.869 0 50 CDAA Cc1ccc(-n2nnnc2N2CC[C@H](n3cncn3)C2)cc1 364240656 XPTDWPBTRZWGDR-ZDUSSCGKSA-N 296.338 1.014 0 50 CDAA Cc1cc(C(=O)NC2(C(=N)O)CC2)nn1[C@@H](C)C1CC1 329232250 LEODMUVIGBRLHP-VIFPVBQESA-N 276.340 1.960 0 50 CDAA CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cn[nH]c1 215744829 DJMBINRLJPEBTO-JTQLQIEISA-N 278.356 1.129 0 50 CDAA Cc1cc(CCN[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)on1 368605323 AUZAVDVTXQMPLX-AVGNSLFASA-N 250.342 1.929 0 50 CDAA O=C(c1noc2c1COCC2)N1CC[C@@H]1C(F)(F)F 527608783 ATTMKBMETXTWHJ-MRVPVSSYSA-N 276.214 1.524 0 50 CDAA CCc1nc(=NC(=O)N[C@@H]2CCOC3(CCCC3)C2)o[nH]1 333070498 OROWKIYMNPQDPZ-SNVBAGLBSA-N 294.355 1.667 0 50 CDAA CC(C)(C)c1csc(NC(=O)N[C@@H]2CCNC2)n1 35287434 HESXGCQHEAHAOQ-MRVPVSSYSA-N 268.386 1.924 0 50 CDAA CCCN1C[C@H](CNC(=O)N[C@@H]2CC2(C)C)CC1=O 333520543 KOYFFYLFAXFUFZ-WDEREUQCSA-N 267.373 1.343 0 50 CDAA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(Cl)s1 131805352 VSRIBKJBSNIFKY-JGVFFNPUSA-N 294.829 1.902 0 50 CDAA COC[C@@H]1CN(C(=O)c2[nH]ccc2C)CC(C)(C)O1 285600579 UNIWBOYHPJFYDJ-NSHDSACASA-N 266.341 1.589 0 50 CDAA CO[C@]1(C(=O)Nc2ccc3c(n2)CCCC3=O)CCOC1 333830980 LGZCQNLRSURRIV-OAHLLOKOSA-N 290.319 1.345 0 50 CDAA O=C(N[C@H]1CN2CCC1CC2)c1cccn1C1CC1 216130090 CXJLGNRDXHZQIB-ZDUSSCGKSA-N 259.353 1.647 0 50 CDAA CN(C)c1ncc(CN2CCCC3(CCOCC3)C2)cn1 216107164 FOUUFYOVCYFDFX-UHFFFAOYSA-N 290.411 1.935 0 50 CDAA Nc1nc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)n[nH]1 71751023 ULIHBXHRMSOPEJ-QMMMGPOBSA-N 291.742 1.670 0 50 CDAA CCc1nnc(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1C 337286176 MAZVNHOGWQMZAN-MGPQQGTHSA-N 292.427 1.893 0 50 CDAA Cn1ncnc1CCNC(=O)CCc1ccc(F)c(F)c1 87435742 YWNBCLVNDJFADD-UHFFFAOYSA-N 294.305 1.385 0 50 CDAA COC(=O)N1CC(NCc2cccc3c2OC(C)(C)C3)C1 178171824 XJZMWOJPTQTQFP-UHFFFAOYSA-N 290.363 1.940 0 50 CDAA Cc1ccn2c(F)c(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2c1 426388412 MPSYJFYERBNTBH-KYZUINATSA-N 291.282 1.375 0 50 CDAA COC(=O)N1CC(NC(=O)N2CCC[C@H]2c2ccco2)C1 178754268 NCTKEEMEWSARAK-NSHDSACASA-N 293.323 1.577 0 50 CDAA CSc1ccc(CC(=O)NCCc2ncnn2C)cc1 87449268 SFWIMFXPURFZSX-UHFFFAOYSA-N 290.392 1.438 0 50 CDAA COCCNC(=O)c1ccc(-c2cncc(OC)c2)o1 96130484 PTMDRBOFOLBCCL-UHFFFAOYSA-N 276.292 1.726 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)Cc2cncs2)C1 622656796 LYZRLBIJPBASTL-SNVBAGLBSA-N 268.382 1.695 0 50 CDAA CC(=O)N1CCO[C@@H](CNc2cc(C3CC3)ncn2)C1 95371575 QHNFEFFCHLUGAP-LBPRGKRZSA-N 276.340 1.013 0 50 CDAA Cc1ncc(CN2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cn1 91325673 CRJXFZNZIIGCDR-QWHCGFSZSA-N 261.325 1.328 0 50 CDAA Cc1nc(N)cc(N2CCN[C@H](c3ccccc3)C2)n1 91768816 ALUSIDXCXLQOEZ-ZDUSSCGKSA-N 269.352 1.518 0 50 CDAA Cc1noc(C)c1CC(=O)N1CC(C)(C)[C@@](C)(O)C1 91643893 RUIQFRNFQUHKBP-AWEZNQCLSA-N 266.341 1.453 0 50 CDAA CC1(C)CNC(=O)c2nc([C@H](O)c3ccccc3)[nH]c2C1 95353504 QRZXTSZSXDNUSL-CYBMUJFWSA-N 285.347 1.804 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(O)cc1)[C@@H]1C[C@@H]31 239212608 TUFXXXBQHJYADM-WCBJTDJXSA-N 281.311 1.950 0 50 CDAA CN(C)c1nc(-c2ccc(-n3cccn3)cc2)n[nH]1 97602507 YUQIEDHDQLGXAQ-UHFFFAOYSA-N 254.297 1.723 0 50 CDAA Cc1noc(C)c1C(=O)N[C@@H](C)c1ncc(C(=O)O)s1 621608253 NPAOTASWHVYZKJ-LURJTMIESA-N 295.320 1.937 0 50 CDAA Cc1ccc(F)c(C(=O)NCCc2ncnn2C)c1Cl 244873224 WMDSNTLRMZEVQP-UHFFFAOYSA-N 296.733 1.889 0 50 CDAA CSCc1noc(CN2CCCO[C@H](C)C2)n1 244873205 WLSVXKLEPIDAAQ-SECBINFHSA-N 257.359 1.543 0 50 CDAA C[C@H](C(=O)N1CCCC1)N(C)CCCc1nccn1C 244858688 VQJWZODYRRLCSV-CYBMUJFWSA-N 278.400 1.295 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](CN2CCCCC2)C1 299738547 CDHWWXDRFKCWHZ-QLFBSQMISA-N 279.428 1.448 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1ccc(C(=O)O)cc1 299753665 YXLPOWMMQMKFFA-LLVKDONJSA-N 263.293 1.428 0 50 CDAA COCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 250468742 PDMYNADGWNUAOY-JHJVBQTASA-N 255.358 1.565 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1oc(C)nc1C 534632461 MLKHFMRDRJQZMR-VIFPVBQESA-N 277.328 1.784 0 50 CDAA CC(C)[C@H](NC(=O)N(C)CC1(C)COC1)c1nccn1C 534672351 GIGNNECRZJDYGA-LBPRGKRZSA-N 294.399 1.795 0 50 CDAA Cc1nc2ccc(CC(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4N)cc2[nH]1 534578244 ARBSDIYCANKBQX-LAQFHYBYSA-N 298.390 1.610 0 50 CDAA CCCCS(=O)(=O)NC[C@H](C)n1cc(C)cn1 534662611 PVXRCYPSFYOFGY-NSHDSACASA-N 259.375 1.472 0 50 CDAA CSc1ncc(CNC(=O)Nc2cnn(C)c2C)n1C 299784463 XGJANNXPPJZZAY-UHFFFAOYSA-N 294.384 1.506 0 50 CDAA CC[C@H](CNc1cncc(N(C)C)n1)N1CCOCC1 822629001 SPSIMSRFVMHGDP-GFCCVEGCSA-N 279.388 1.065 0 50 CDAA C[C@H](NC(=O)CCN1CCCCCC1=O)C(F)(F)F 827984528 SZGKQRRDSUHQLI-VIFPVBQESA-N 280.290 1.846 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)NCC1(CO)CCC1 584891981 XCMUWGKJPKAKMX-NSHDSACASA-N 256.390 1.432 0 50 CDAA Nc1cc(C(=O)NCCc2cnn(-c3ccccc3)c2)[nH]n1 828209963 JNHDONIYYHNQDT-UHFFFAOYSA-N 296.334 1.150 0 50 CDAA NC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 269152588 CCFXRXNBDGFPNN-ZLKJLUDKSA-N 262.328 1.736 0 50 CDAA O=C1CC2(CNC2)N(Cc2c(F)cccc2Cl)CCN1 864097155 OOYDEAGQOFECBQ-UHFFFAOYSA-N 297.761 1.143 0 50 CDAA CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CC[C@@H](O)CC2)C1 584902390 RILJPOZSAGSILK-UPJWGTAASA-N 268.401 1.527 0 50 CDAA O=C(NCc1cccc(O)c1)c1cn(-c2cccnc2)nn1 1543613460 RVVDIHLQJPDGTR-UHFFFAOYSA-N 295.302 1.298 0 50 CDAA CCc1ncnc(NC[C@@H](C(=O)O)C2CCOCC2)c1F 685940255 ARVYTDWSSZCHMT-SNVBAGLBSA-N 297.330 1.717 0 50 CDAA C=C=CCNC(=O)NC1CCN(c2cccnn2)CC1 1548639898 GJBZXGOZBSZIPK-UHFFFAOYSA-N 273.340 1.086 0 50 CDAA C[C@H]1CC(=O)N[C@@H](C(=O)Nc2cccc(F)c2O)C1 869449992 VHCZQEXHMIVGGV-GMSGAONNSA-N 266.272 1.385 0 50 CDAA COC(=O)/C=C/CNC(=O)CCn1cc(Cl)c(C)n1 1875312160 VBCQFTAPNRNBIZ-ONEGZZNKSA-N 285.731 1.080 0 50 CDAA COC(=O)[C@@H](OC)C1CCN(C(=O)NC2CCC2)CC1 1875304246 FCWQKZYWPXQLGB-LBPRGKRZSA-N 284.356 1.149 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1cnc(N(C)C)nc1C 952985025 AGMMFGBISUJAIO-UHFFFAOYSA-N 288.355 1.155 0 50 CDAA CN1C[C@@H](CNc2ncccc2C(F)(F)F)OCC1=O 885938859 CFKKUEKVDYKAIK-MRVPVSSYSA-N 289.257 1.370 0 50 CDAA O=C(c1cc[nH]c1)N1CCOc2ccccc2[C@H]1CO 887109458 MCCKXEYDWJFMGN-CYBMUJFWSA-N 272.304 1.583 0 50 CDAA NS(=O)(=O)c1cc(Br)ccc1Cl 36533144 PQGORAWLDDZMBJ-UHFFFAOYSA-N 270.535 1.750 0 50 CDAA in-vitro COC(C)(C)c1nsc(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)n1 896970308 SRQOZTLVOFJKPB-HLTSFMKQSA-N 287.385 1.106 0 50 CDAA Cc1[nH]nc(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)c1C 1775957558 ASTQTFVMLWSLJW-NWDGAFQWSA-N 289.339 1.480 0 50 CDAA Cn1c(S)nnc1C(=O)N[C@H](C(C)(C)C)C(F)(F)F 1776006896 YZNPCTUFFCARBR-SSDOTTSWSA-N 296.318 1.811 0 50 CDAA CN1[C@H]2CCC[C@H]1CC(N[C@H]1CCN(C3CC3)C1)C2 246487809 ALJBGZFIFBZOLX-RCBQFDQVSA-N 263.429 1.828 0 50 CDAA COc1cc(C(=O)N[C@H]2CCOC[C@@H]2OC)ccc1F 1565513564 XFYPMJGHPGQHRY-AAEUAGOBSA-N 283.299 1.368 0 50 CDAA Cc1ccc(C(=O)N(Cc2nn[nH]n2)CC(C)C)o1 1471644921 CBRZRSHFNYUPGI-UHFFFAOYSA-N 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299.378 1.411 0 50 CDAA Cn1nncc1-c1nc([C@H]2COc3ccccc3O2)no1 350245703 GETYULUTOAEGJF-LLVKDONJSA-N 285.263 1.378 0 50 CDAA CN(CC1(CO)CCC1)c1nccc(-c2cnn(C)c2)n1 23338034 AHSFIQHPKPSMOB-UHFFFAOYSA-N 287.367 1.476 0 50 CDAA CCOCC1(CN2C[C@@H](C(=O)O)CC2=O)CCC1 65424339 KWSYIGDCIAUUEY-JTQLQIEISA-N 255.314 1.126 0 50 CDAA C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C[C@@H](C)OC1=O 229721694 MHVZSBAELINJPF-VGMNWLOBSA-N 287.312 1.147 0 50 CDAA COC(=O)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](SC)C1 229878333 UXCAQHNABMVYAW-HBNTYKKESA-N 273.398 1.976 0 50 CDAA C[C@@H](Cc1cn(CCc2nnn[nH]2)nn1)c1ccccc1 67805139 ZQPSXKOBERLDFH-NSHDSACASA-N 283.339 1.380 0 50 CDAA CNC[C@H](O)c1cccc(-c2ccc3nnn(C)c3c2)c1 863691994 OYVAVVOKYJYWCL-INIZCTEOSA-N 282.347 1.888 0 50 CDAA O=C(CN1CCCCCCC1)N1CCC[C@@]2(CCNC2)C1 67894659 LGSWAPPNSVWDDB-KRWDZBQOSA-N 293.455 1.855 0 50 CDAA CCc1cc(C(=O)N(C)C[C@H]2CCc3nccn3C2)n[nH]1 328617204 CLTQUEBRJUGOKK-LLVKDONJSA-N 287.367 1.503 0 50 CDAA C[C@]12CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C[C@H]1C2(F)F 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HXMAHJBDPDOKRG-GWCFXTLKSA-N 282.771 1.489 0 50 CDAA Cc1nn(C)c2cc(NC(=O)N[C@H]3[C@@H]4CNC[C@@H]43)ccc12 333404300 ZBUJHWZQSGZNSN-IMRBUKKESA-N 285.351 1.221 0 50 CDAA CC(C)n1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)cn1 77391619 SKCRFBGJMZLQDE-ZDUSSCGKSA-N 286.335 1.420 0 50 CDAA O=C(N[C@H]1CC[C@@H](O)C1)C1(C2CC2)CCOCC1 367276467 CSOSZHCPGFTLSE-NWDGAFQWSA-N 253.342 1.223 0 50 CDAA CN1CCCN(C(=O)Cn2cncn2)c2ccc(F)cc21 606233660 BOGCYKNZLRDAPR-UHFFFAOYSA-N 289.314 1.290 0 50 CDAA O=C([C@H]1C[C@H](F)CN1)N1CCc2c(F)cccc21 335548620 FRAJOHVVUURFGM-GZMMTYOYSA-N 252.264 1.415 0 50 CDAA O=C(COCC(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 374559395 MJBVACHUOMBFIJ-AEJSXWLSSA-N 281.274 1.639 0 50 CDAA N[C@H]1CCCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C1 158074753 LCQXXILFYKGCEZ-PXTSUWAFSA-N 296.374 1.835 0 50 CDAA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C1(N)CCCC1)CC2 262477399 QKNQMCAIJVEOQQ-QWHCGFSZSA-N 296.411 1.036 0 50 CDAA CN([C@H]1C[C@@H](Oc2ccccc2)C1(C)C)S(N)(=O)=O 376314482 BTUGLUURYRCBLY-NWDGAFQWSA-N 284.381 1.368 0 50 CDAA Cc1ccc(N2CC[C@](O)(CN3CCCCC3)C2)nn1 77541874 XYFGGKGWKDPHPK-HNNXBMFYSA-N 276.384 1.212 0 50 CDAA C[C@@H](NC(=O)Cc1cnn(C)c1)c1nc(C(C)(C)C)no1 174720927 PKBPQUCUKJUEKI-SECBINFHSA-N 291.355 1.521 0 50 CDAA C[C@@H]1CN(C(=O)c2cccc3[nH]ncc23)C[C@H]1C(=O)O 263284846 XVOXKXVCBNOXQT-LDYMZIIASA-N 273.292 1.356 0 50 CDAA CCN1CC2(CCN(Cc3cccnc3N)CC2)OC1=O 72421145 ZUVAVBHPJNONBK-UHFFFAOYSA-N 290.367 1.471 0 50 CDAA C[C@@H](C1CCN(Cc2cccnc2N)CC1)N(C)C 77390741 VPSUNOLKFNUUEK-LBPRGKRZSA-N 262.401 1.826 0 50 CDAA NC(=O)c1cnc(N2CCC[C@@H](C(=O)O)C2)c(Cl)c1 263380512 CKFKVQZSJIERCS-SSDOTTSWSA-N 283.715 1.135 0 50 CDAA CC1(C)OC[C@H]2C[C@@]21NCc1ccc(S(C)(=O)=O)cc1 527766978 RLSJENMJPGJIDV-IUODEOHRSA-N 295.404 1.747 0 50 CDAA O=C(c1ncc2c(F)cccn12)N1CCOC[C@@H]1C1CC1 528915101 DNXDMWSBNYOITK-CYBMUJFWSA-N 289.310 1.724 0 50 CDAA CC1(C)OC[C@@H]2C[C@]21C(=O)N1CC(OC(F)F)C1 613766625 RBSPSXCQLCKJOX-JVXZTZIISA-N 261.268 1.252 0 50 CDAA CN(CC[C@@H]1CCCCO1)C(=O)CCCC(=O)O 426533819 RSDUELAODSUKJE-NSHDSACASA-N 257.330 1.659 0 50 CDAA CCCCCN1CCC[C@@H](Cn2cc(CCO)nn2)C1 48234122 ZRRJPOJHLUYCBG-CQSZACIVSA-N 280.416 1.715 0 50 CDAA Cc1nnc(CCNC(=O)C[C@@H](C)n2ccnc2C)s1 426495567 DWRLXKWTNJFIBP-SECBINFHSA-N 293.396 1.661 0 50 CDAA Cc1ccnc(NCC2(N3CCOCC3)CCCC2)n1 95382533 SLVOJYBGVUSJNW-UHFFFAOYSA-N 276.384 1.842 0 50 CDAA C[C@@H](NC(=O)N(CCO)CCN(C)C)c1ccc(F)cc1 426658283 HKHVJAUAJUHULO-GFCCVEGCSA-N 297.374 1.452 0 50 CDAA COCC[C@@]1(C(=O)O)CCCN(c2ncccc2F)C1 91364911 IMHOQLOEFYDFCK-AWEZNQCLSA-N 282.315 1.928 0 50 CDAA CCOP(=O)(CCOCCOCCOC)OCC 95100045 DTJZSPGSMWONOZ-UHFFFAOYSA-N 284.289 1.932 0 50 CDAA CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC 238237836 ZVYNNXJISKMFMX-JTQLQIEISA-N 272.345 1.101 0 50 CDAA CC(C)c1nnc(CN2CCC3(CC2)OCCC[C@H]3O)o1 95391914 YUEZWCKKNDZHFO-GFCCVEGCSA-N 295.383 1.699 0 50 CDAA NC(=O)[C@@H](c1ccc(F)cc1)N1CCC[C@H](O)CC1 293100677 LAVQWILBRBFURQ-QWHCGFSZSA-N 266.316 1.199 0 50 CDAA CN(C)CCOC(=O)c1cc(=O)c2ccccc2n1C 96027964 XBFKAZFHYZQAEU-UHFFFAOYSA-N 274.320 1.257 0 50 CDAA Cc1c[nH]c(CCNC(=O)[C@@H]2COc3ccccc3C2)n1 91254815 XFGRCDJCVJJQGJ-ZDUSSCGKSA-N 285.347 1.628 0 50 CDAA O=C(NCc1ccccc1F)c1ccc(-n2cnnc2)nc1 97631928 LHTWYSXLKHBZAZ-UHFFFAOYSA-N 297.293 1.731 0 50 CDAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccncc1)CC2 91663158 XYBLYYFUODXQCR-KGLIPLIRSA-N 290.363 1.474 0 50 CDAA CN(C)Cc1cccc(-c2nc3c([nH]2)CCCNC3=O)c1 95512481 JHFLSORVXPNGBC-UHFFFAOYSA-N 284.363 1.814 0 50 CDAA Cc1[nH]nc2ncc(C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)cc12 268192868 HWFCWWBGEUOVAD-LKFCYVNXSA-N 299.378 1.479 0 50 CDAA Cc1nn(C)c2nc(NCc3cnn(C)c3)sc12 95501978 KWICJDPITFYCPO-UHFFFAOYSA-N 262.342 1.684 0 50 CDAA O=C1OC[C@H](c2ccccc2)N1Cc1nc2ncccn2n1 95508635 NHIWLGKJHXUKSY-GFCCVEGCSA-N 295.302 1.818 0 50 CDAA Cn1nnc(-c2ccc(-c3nc([C@H]4CCOC4)no3)cc2)n1 96140095 YJMVLAPWPCACPK-NSHDSACASA-N 298.306 1.431 0 50 CDAA CCc1nccn1CCN1CCN(c2ccccn2)CC1 244633365 GBRKKJABOOPQCQ-UHFFFAOYSA-N 285.395 1.663 0 50 CDAA O=C(NCCc1cscn1)N[C@@H]1CCCOCC1 181699131 VIFHUNSIOIOQDD-SNVBAGLBSA-N 269.370 1.554 0 50 CDAA O=c1cc(Br)ccn1-c1cccnc1 255189208 OLJWUPFWTVXTHI-UHFFFAOYSA-N 251.083 1.995 0 50 CDAA Cc1cccc2[nH]cc(CCNC(=O)[C@H]3C[C@@H]3C(=O)O)c12 299747425 CYMAQEGQMFOROU-RYUDHWBXSA-N 286.331 1.856 0 50 CDAA CC(C)Cc1cc(C(=O)N2CCC[C@H]2C(=O)O)[nH]n1 299746209 VUISSGCJWLSFEF-NSHDSACASA-N 265.313 1.297 0 50 CDAA C[C@@H](c1ccc(C#N)cc1)N1CCC([C@H](O)C(N)=O)CC1 299748233 GNHPRALCZDPLNQ-NHYWBVRUSA-N 287.363 1.177 0 50 CDAA Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCCO)cc1 184890029 ZCOCACMOFVUOKA-HUUCEWRRSA-N 297.420 1.662 0 50 CDAA c1cc2c(cc1-c1nc(CN[C@H]3CCOC3)no1)OCO2 534673897 YUBQFOYFQDMDMH-JTQLQIEISA-N 289.291 1.344 0 50 CDAA CCCc1nc(CNC(=O)C2(C)COC2)cs1 534645398 JITDMHQHNFDMJT-UHFFFAOYSA-N 254.355 1.748 0 50 CDAA COCC1(C(=O)NCc2cc(C3CC3)on2)CC1 534671615 HRRFSGSMKJIBNS-UHFFFAOYSA-N 250.298 1.595 0 50 CDAA CC(C)(C(=O)NCC(=O)O)c1ccc(Cl)cc1F 262941882 CIRYTTLJEQIIPV-UHFFFAOYSA-N 273.691 1.958 0 50 CDAA CCOC(=O)CCc1cnc(Br)cn1 260224919 HWGUGBOSYPHLHO-UHFFFAOYSA-N 259.103 1.735 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CCc2cc(F)ccc21 578911110 VOGRKHPUDNHFNA-CHWSQXEVSA-N 277.295 1.931 0 50 CDAA CC(C)C1=NO[C@@H](c2ncnn2CC(C)(C)O)C1 820723173 YCTIYZOHHFQGET-SNVBAGLBSA-N 252.318 1.522 0 50 CDAA CC(C)C1=NO[C@@H](C(=O)N(C)CCN2CCCC2)C1 584896125 YURIABTYVOELFZ-CYBMUJFWSA-N 267.373 1.342 0 50 CDAA CN(CC(C)(C)CO)C(=O)COC[C@H]1CCCCO1 584896062 XSOBMDHVEVAXRI-GFCCVEGCSA-N 273.373 1.049 0 50 CDAA CCS(=O)(=O)N(C)Cc1nc2cc(C)c(C)cc2[nH]1 670453922 CJDYJUIMJQTPAR-UHFFFAOYSA-N 281.381 1.961 0 50 CDAA O=C1CN([C@@H]2CCOC2)CCN1CCc1ccccc1 670470847 BCTKPTWUZYCXQY-OAHLLOKOSA-N 274.364 1.162 0 50 CDAA Cc1cc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)ccc1F 685939525 XKNJIQIIMXAVOD-MFKMUULPSA-N 286.372 1.363 0 50 CDAA COCc1sccc1C(=O)N(C)CCC(=O)O 630136799 HMZPZQDWSICDDV-UHFFFAOYSA-N 257.311 1.441 0 50 CDAA Cc1nonc1CNC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 873281373 HVGOITUOYGCHJN-RYUDHWBXSA-N 294.355 1.336 0 50 CDAA CN(C)Cc1nc(CNC(=O)c2ccccc2O)co1 952995516 OLKSAJYQFDTABI-UHFFFAOYSA-N 275.308 1.372 0 50 CDAA O=C(NS(=O)(=O)c1ccsc1)[C@@H]1CC[C@@H]2C[C@@H]21 1875291411 YBAMAUGEGMPASU-QNSHHTMESA-N 271.363 1.599 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(C)CC3)nn(C)c21 1875300299 XCXUNSRGFDVWGQ-ZJUUUORDSA-N 277.368 1.972 0 50 CDAA COCCCn1c(Cc2ccc(F)cc2)noc1=O 1875391694 UOYJAFIVRXOLIK-UHFFFAOYSA-N 266.272 1.603 0 50 CDAA O=C(NC1(c2ncccn2)CCOCC1)[C@@H]1CC=CCC1 886936344 UVGZGHGTLQEJQM-CYBMUJFWSA-N 287.363 1.955 0 50 CDAA Cc1nn(C)c2nc(N3CCC(O)CC3)cc(Cl)c12 891494290 BZGRMSUBDRETMB-UHFFFAOYSA-N 280.759 1.891 0 50 CDAA c1cnc(N2CCC[C@@H](Nc3nccn4ccnc34)C2)nc1 891893096 KRIURBUIEHMUFI-GFCCVEGCSA-N 295.350 1.600 0 50 CDAA COc1ccc(NC(=O)C[C@@H](C)CC(=O)O)nc1 1332008033 SYLISKOAMGVIAP-MRVPVSSYSA-N 252.270 1.530 0 50 CDAA Cc1nc(O)cc(N2CCC(OCC3CC3)CC2)n1 892742045 FLOSLRIKNRKLLM-UHFFFAOYSA-N 263.341 1.886 0 50 CDAA CCS(=O)(=O)N1CCN(c2ccncc2F)[C@@H](C)C1 1775991601 RZKJYUFQYOXZIS-JTQLQIEISA-N 287.360 1.081 0 50 CDAA CCOC(OCC)c1n[nH]c(-c2ccc(=O)n(C)c2)n1 1776006735 ZGAFXHBKKUZFOL-UHFFFAOYSA-N 278.312 1.242 0 50 CDAA CO[C@@H](C)C1=NN(c2ncnc3ccsc23)C(=O)C1 899348921 PHLDCDUXNRNAKP-ZETCQYMHSA-N 276.321 1.819 0 50 CDAA CC(C)C[C@H]1CN(c2nccnc2C(=O)O)CCO1 1506419211 XIMSDUJJFIKXJK-JTQLQIEISA-N 265.313 1.426 0 50 CDAA CC(C)O[C@H]1C[C@H](NC(=O)Cn2nccc2N)C1(C)C 1362620018 XVUNADZPRKVNFI-QWRGUYRKSA-N 280.372 1.174 0 50 CDAA C[C@H](NC(=O)[C@@H]1CCC(=O)N1)[C@H]1C[C@H]2CC[C@H]1C2 248528808 JWHUADJGEYXIIE-NGDQXYMTSA-N 250.342 1.206 0 50 CDAA CCC[C@@](C)(CO)NC(=O)c1ccc(O)cc1F 135464878 FMCIBBRASNXYIE-ZDUSSCGKSA-N 255.289 1.812 0 50 CDAA CCOC(=O)CC1CCN(C(=O)NC2CC2)CC1 1191459657 KPFJNPMQGCRRMZ-UHFFFAOYSA-N 254.330 1.524 0 50 CDAA O=C(c1ccccc1)c1cn([C@@H]2CCC[C@H]2O)nn1 630585309 LWMZHLQEACCPAU-CHWSQXEVSA-N 257.293 1.595 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)Nc1ccncc1F 275684692 DRFPXQRWKPJNGI-JTQLQIEISA-N 289.314 1.801 0 50 CDAA CCn1cc(C(=O)N2CCOc3c2c(C)nn3C)c(C)n1 631762931 WCDPOZITKHMGKH-UHFFFAOYSA-N 289.339 1.293 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1Cc1cc(C(=O)O)sc1C 514943513 FRDJUUBJMJWQNJ-RYUDHWBXSA-N 299.392 1.990 0 50 CDAA CO[C@@H](C)CS(=O)(=O)N[C@@H](c1nccs1)C1CC1 170620338 MXSIAPRZVGTZSP-WCBMZHEXSA-N 290.410 1.549 0 50 CDAA CCc1nnc(SCC(=O)N2CCCCCC2)[nH]1 170626339 CLVFWSYOOCEWCV-UHFFFAOYSA-N 268.386 1.862 0 50 CDAA COC(=O)C(C)(C)CCN1CCO[C@H]([C@@H]2CCCO2)C1 170601674 AOOUKTDESNNFHA-STQMWFEESA-N 285.384 1.456 0 50 CDAA COc1cccc(F)c1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 1074548677 VITVFAIITAWWTK-PWSUYJOCSA-N 278.327 1.610 0 50 CDAA COC[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)C1CCOCC1 187825906 ARLCYVVIGFXNLS-YESZJQIVSA-N 291.391 1.676 0 50 CDAA CCC[C@H](CN1CCN(C)[C@@H](c2nc(C)no2)C1)OC 583651101 HJXTZOVBDRSZTO-CHWSQXEVSA-N 282.388 1.482 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccn[nH]1 189054079 ORMFOURGFHCCKT-MFKMUULPSA-N 265.357 1.520 0 50 CDAA CCCCNC(=O)[C@@H](C)N[C@@H]1C[C@@H](OCC)[C@H]1SC 585089105 MTDTVBDDGHUQEQ-LPWJVIDDSA-N 288.457 1.790 0 50 CDAA CC1=NO[C@@H](CNC(=O)N=c2ccc(C3CC3)n[nH]2)C1 585120122 TTZGVOVCGBZHBK-SNVBAGLBSA-N 275.312 1.062 0 50 CDAA Cc1cc(C(=O)NCCCOc2ncccn2)ns1 585129915 BOFKGNQEAMSYIF-UHFFFAOYSA-N 278.337 1.440 0 50 CDAA O=C(Nc1ccc2c(c1F)CCNC2=O)c1ccoc1 225464951 VUOAZHPWMJXCFC-UHFFFAOYSA-N 274.251 1.957 0 50 CDAA CCN(CC(=O)O)C(=O)[C@H]1CCOc2ccccc21 111184988 SHSUTGKWEXSYKT-NSHDSACASA-N 263.293 1.486 0 50 CDAA O=C(CNC(=O)C1CC1)N[C@H]1CCCc2ccccc21 642218471 HZTAXXINEJEGAV-AWEZNQCLSA-N 272.348 1.706 0 50 CDAA C[C@@H](C[S@@](C)=O)N(C)Cc1cn(C(C)(C)C)nn1 191491705 QEJCCYOOZWCCKA-XTZNXHDOSA-N 272.418 1.232 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2cscn2)C1(C)C 191718221 KAAKCITYZKTPNP-GXFFZTMASA-N 284.381 1.439 0 50 CDAA CC(C)c1ccccc1S(=O)(=O)N[C@H](CN)C1CC1 193293841 UTGCINIATFERKC-CYBMUJFWSA-N 282.409 1.826 0 50 CDAA COC[C@H](CC(C)(C)C)NCCc1n[nH]c(C)n1 651757832 FBRXMKDIJWEDLT-NSHDSACASA-N 254.378 1.696 0 50 CDAA CC(C)C(=O)NCCn1cc(-c2cncc(F)c2)nn1 656442240 GOXAENKMFFYKEM-UHFFFAOYSA-N 277.303 1.251 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)C1=C(C)OCCO1 1506411720 KQSNDSXEFHQQKW-VIFPVBQESA-N 280.328 1.144 0 50 CDAA CC(C)Sc1nnc(NC(=O)[C@@H]2CCC(=O)N2)s1 1506419986 PEOQTOOORZBGBK-LURJTMIESA-N 286.382 1.256 0 50 CDAA Cc1cc(S(=O)(=O)NCCc2cnoc2)sc1C 907384849 VIRVEPRQKZRLAY-UHFFFAOYSA-N 286.378 1.874 0 50 CDAA Cc1cnnc(N2CCC(N3CCOC3=O)CC2)c1C 1857678900 CJNDBIRHTQACHD-UHFFFAOYSA-N 276.340 1.514 0 50 CDAA Cn1nc(C(F)(F)F)cc1CN[C@]12CCC[C@H]1NCC2 1615058456 NGHJQPMEHNBADK-PWSUYJOCSA-N 288.317 1.813 0 50 CDAA C[C@@H](CS(C)(=O)=O)NC(=O)OCc1ccccc1 209023195 VKGQMWVCEBJCSL-JTQLQIEISA-N 271.338 1.346 0 50 CDAA C[C@H](N)CCNS(=O)(=O)c1cc(F)ccc1Cl 123899909 OKCVZAREWUKYND-ZETCQYMHSA-N 280.752 1.495 0 50 CDAA O=C(Cc1ccnc(O)c1Br)N1CC2(CC2)C1 333055345 HLHGYDHNEQEHLW-UHFFFAOYSA-N 297.152 1.715 0 50 CDAA Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)c1 1772811858 ZKGACJAPBYLXNO-FRRDWIJNSA-N 281.377 1.305 0 50 CDAA CN1CC2(CCN(c3ncccc3F)CC2)OCC1=O 1775978048 LJFFNYHSNUSBST-UHFFFAOYSA-N 279.315 1.048 0 50 CDAA Cc1cccnc1N1CCN(CC[C@H]2COCCO2)CC1 1775984131 ZJHVXWOSKPTFAK-HNNXBMFYSA-N 291.395 1.318 0 50 CDAA CCCn1cc(-c2nc(C)nn2-c2cnn(C)c2)c(C)n1 1772809165 NWMIHGYIXXTORQ-UHFFFAOYSA-N 285.355 1.891 0 50 CDAA CCN(C(=O)CSc1nncc(=O)[nH]1)c1ccccc1 5625422 IOEYRCDCIGTVKZ-UHFFFAOYSA-N 290.348 1.310 0 50 CDAA Cc1sc2ncc(C(=O)NC(C)(C)C)c(=O)n2c1C 16648753 MBULKBYAWGOIIC-UHFFFAOYSA-N 279.365 1.901 0 50 CDAA O=C(O)c1ccc(OCCCN2CCNCC2)cc1 19798101 HKWLSOYRBXNGKM-UHFFFAOYSA-N 264.325 1.059 0 50 CDAA COC(=O)c1cc(Br)cc2c1NC(=O)C2=O 260043305 KYUDISFMFVEROE-UHFFFAOYSA-N 284.065 1.371 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)[C@H]1CCn2nccc2C1 1857720410 STLUQTYYGLMLCE-JTQLQIEISA-N 296.334 1.033 0 50 CDAA O=C(O)CNC(=O)CSc1ccc(Cl)cc1 40044 OFCFMEUPIHMGJB-UHFFFAOYSA-N 259.714 1.633 0 50 CDAA O=C1NC(=O)[C@@H]2[C@@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 100634043 FDRYJBYIRWGIHR-ZNMIVQPWSA-N 294.310 1.821 0 50 CDAA CC(C)CC[C@H]1CCC[C@@H]1NCc1nc(=O)[nH][nH]1 225420062 TYRYFSPIMLFMQM-MNOVXSKESA-N 252.362 1.793 0 50 CDAA COc1cccc(C(=O)N[C@H]2CCc3ncnn3C2)c1 112647837 ZYTBZMUXGXXMGV-NSHDSACASA-N 272.308 1.032 0 50 CDAA C[C@H]1COCCCN1C(=O)c1ccnc(-c2ncc[nH]2)c1 645850049 MEEUNRPNKOMKQH-NSHDSACASA-N 286.335 1.723 0 50 CDAA COc1ncncc1CN1C[C@H]2CCCCN2C[C@H]1C 648009807 YFHQDKPVURDEDP-TZMCWYRMSA-N 276.384 1.544 0 50 CDAA O=C(N[C@H]1C[C@H](C(=O)O)C1)c1cnn2cccc(Cl)c12 659242186 WYHPZKLQYMVCTD-ZKCHVHJHSA-N 293.710 1.581 0 50 CDAA CCc1cncc(C(=O)N2C[C@H](OC)C[C@H]2COC)c1 344819255 YULFZRANGKRUOL-UONOGXRCSA-N 278.352 1.520 0 50 CDAA CN1C(=O)[C@@H]2CC[C@H]1CN(c1ncc(Cl)cc1F)C2 248075439 YRKCASPLUYQHBS-SCZZXKLOSA-N 283.734 1.931 0 50 CDAA Cc1cc(CNC(=O)[C@H]2CNC(=O)CC2(C)C)cc(C)n1 1875276144 VUOCVFNMEIUHIQ-CYBMUJFWSA-N 289.379 1.477 0 50 CDAA CCn1nccc1C(=O)N1CCC[C@@H](c2nccn2C)C1 768142521 CFBCIAUYPVGZIG-GFCCVEGCSA-N 287.367 1.656 0 50 CDAA CC[C@H](NC(=O)C1(C(=O)O)CC1)c1nc(C)cs1 154867064 BHLBBIPMMSCOGW-QMMMGPOBSA-N 268.338 1.884 0 50 CDAA C[C@H](NC(=O)C1(C(=O)O)CC1)c1nc(C(C)(C)C)no1 154944433 ZIECTMWQMOGCTM-ZETCQYMHSA-N 281.312 1.409 0 50 CDAA C[C@H](C(=O)Nc1nccs1)N1CCC2(CCOCC2)C1 266630230 PMBIIPITOLXROM-LLVKDONJSA-N 295.408 1.973 0 50 CDAA C=CC(=O)NCc1nnc2n1CCC[C@H]2C(F)(F)F 820437421 GLIMKDOIAGRJQB-SSDOTTSWSA-N 274.246 1.520 0 50 CDAA NC(=O)CN[C@@H]1CCOc2c(Br)cccc21 225724732 HYJLDJQDAZNLNH-SECBINFHSA-N 285.141 1.348 0 50 CDAA CCO[C@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)O)c1 236955045 KOIAHTVHJQYAHF-RYUDHWBXSA-N 263.293 1.426 0 50 CDAA CS[C@@H](C)C(=O)N1CCC(OCCCN)CC1 162143962 PSELODUQSXBJPA-JTQLQIEISA-N 260.403 1.094 0 50 CDAA O=C(CO)N1CCO[C@H](c2ccc(Cl)cc2)C1 71764152 CFVFZMMRYHYPMZ-NSHDSACASA-N 255.701 1.232 0 50 CDAA O=C(NCCc1cccc(C(F)(F)F)c1)[C@H]1C=CCN1 534639999 FAFMOHRLNSXRPK-GFCCVEGCSA-N 284.281 1.892 0 50 CDAA CCc1nc(CN2CC[C@@H](O)CC(C)(C)C2)no1 331601379 HPOTYIJYNDWOLK-SNVBAGLBSA-N 253.346 1.615 0 50 CDAA N[C@H]1CCCCCN(C(=O)c2ccc(C(=O)O)cc2)C1 630575597 PURQMKGOBGASFT-ZDUSSCGKSA-N 276.336 1.728 0 50 CDAA O=c1cnc2ccccc2n1CCCn1cccn1 95369943 NWSZBSVXPYVGIJ-UHFFFAOYSA-N 254.293 1.683 0 50 CDAA CC(=O)Nc1ccc(OC[C@H](O)CNC2CCCC2)cc1 4320502 JBQPSRMRWULQNY-OAHLLOKOSA-N 292.379 1.917 0 50 CDAA C[C@H](NC1=NC[C@@H]2CC[C@@H](C)CN12)c1ccnn1C 2325801805 XFRZWBFOJMAFFK-WOPDTQHZSA-N 261.373 1.541 0 50 CDAA CCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 128391 OSBDCONCGNJQOD-UHFFFAOYSA-N 297.376 1.734 0 50 CDAA COC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 226994 SLDQDNWHHGSHPF-UHFFFAOYSA-N 298.364 1.068 0 50 CDAA N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1 329110 FQLXKOCHDBPFLL-AWEZNQCLSA-N 283.331 1.947 0 50 CDAA biogenic O=C(NC1CCCC1)c1cccc(-n2cnnn2)c1 418383 NSJRTQWAMYBVTO-UHFFFAOYSA-N 257.297 1.335 0 50 CDAA COC(=O)C1CCN(C(=O)c2ccccc2F)CC1 456688 MFWJQLSBNOWJPW-UHFFFAOYSA-N 265.284 1.851 0 50 CDAA NC(=O)CSc1nnc(-c2cccnc2)s1 613615 PXGVSGSWRXVDGW-UHFFFAOYSA-N 252.324 1.178 0 50 CDAA CCCCOC(=O)C(=O)Nc1cccc(-c2nnn[nH]2)c1 1548562 XQTARQNQIVVBRX-UHFFFAOYSA-N 289.295 1.149 0 50 CDAA in-man C[C@H](NC(=O)C(=O)NCCCCCO)c1ccccc1 2854024 FEDUIJOHFTYAPM-LBPRGKRZSA-N 278.352 1.143 0 50 CDAA CCC1(CC)C(=O)N=C(Nc2ccc(OC)cc2)NC1=O 3998812 ZQAGWXYVUUKGGX-UHFFFAOYSA-N 289.335 1.926 0 50 CDAA CSCC[C@H](NC(=O)OCc1ccccc1)C(N)=O 4761860 VDAMAJACSSXGSV-NSHDSACASA-N 282.365 1.520 0 50 CDAA COc1ccc(CCNC(=O)COC2CCNCC2)cc1 111795109 GBOVVNUZVZSAFL-UHFFFAOYSA-N 292.379 1.123 0 50 CDAA Cc1nc[nH]c1C(=O)N1CC[C@@](C)(O)[C@@H](CC(C)C)C1 67973719 FGFXSIOJXKZLFU-SWLSCSKDSA-N 279.384 1.977 0 50 CDAA Cc1n[nH]c(C)c1-c1nc2c([nH]1)CC(C)(C)CNC2=O 67982792 UBNYKDXZSHOVOH-UHFFFAOYSA-N 273.340 1.729 0 50 CDAA Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])no1 252467654 YJHTVTUIEYONOW-DVVUODLYSA-N 265.269 1.312 0 50 CDAA O=C(C(=O)N1CCCN2CCC[C@@H]2C1)c1ccco1 20997917 ILXMOKGXHJJKTH-LLVKDONJSA-N 262.309 1.159 0 50 CDAA O=C(O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 34927186 NSDRMXQRVFTZPH-UHFFFAOYSA-N 295.295 1.947 0 50 CDAA C[C@@H](C(=O)O)n1cc(-c2ccc(S(C)(=O)=O)cc2)cn1 67894360 IXHZYNYODMBSBX-VIFPVBQESA-N 294.332 1.599 0 50 CDAA CCc1ncc(C(=O)N2CCC[C@H](N(C)C)CC2)cn1 72153595 IOFRIBYHHIVQKC-ZDUSSCGKSA-N 276.384 1.595 0 50 CDAA CNC(=O)[C@@H](C)NC(=O)c1ccc(-c2ccccc2)nc1O 356012729 XOTRLBBBYXKFHN-SNVBAGLBSA-N 299.330 1.319 0 50 CDAA Cc1cc(C)n(CCCC(=O)N[C@@H]2CC[C@@H](N)C2)n1 67740025 WNZBGHNVARXZKX-CHWSQXEVSA-N 264.373 1.276 0 50 CDAA O=C([C@@H](O)C1CCCCC1)N1[C@H]2CC[C@H]1[C@@H](CO)C2 366255627 FLAQMDYFJSMQFI-RFGFWPKPSA-N 267.369 1.299 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CCCCC(O)=N2)C[C@@H](C)N1C 328593304 HIEANWRBNQLNNG-GRYCIOLGSA-N 267.373 1.437 0 50 CDAA CCc1nccc(CN2CCN(c3cccnc3)CC2)n1 215406112 MPBPLBKUMJHQIU-UHFFFAOYSA-N 283.379 1.756 0 50 CDAA Oc1ccc(CCCNC[C@]2(O)CCCNC2)cc1 72469680 XYDCEEYYWJUCOE-OAHLLOKOSA-N 264.369 1.029 0 50 CDAA C[C@H](C(=O)N=c1ccn([C@H]2CCNC2)[nH]1)c1cccs1 328629826 PFFGMUGXRJPPPI-QWRGUYRKSA-N 290.392 1.643 0 50 CDAA CN(Cc1ccccn1)c1nccc(=N[C@H]2CCCOC2)[nH]1 328651820 WBCUQHQOPSXKIO-AWEZNQCLSA-N 299.378 1.521 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)Nc1ccc(NC(=O)COC)cc1 37029352 JWJSQLTZRPYZPI-HZMBPMFUSA-N 293.367 1.583 0 50 CDAA C[C@H](NC(=O)c1c(O)cccc1F)[C@@H]1CCOC1 126322867 ZZJJFMNYZQFJOV-DTWKUNHWSA-N 253.273 1.686 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2csnn2)C1 123803422 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215073159 WQJJWJJHCDZGMR-UHFFFAOYSA-N 296.374 1.918 0 50 CDAA Cc1ccncc1CNC(=O)N1C[C@H]2CC[C@H]1CN2 333268769 KCROPLCWUFNWDD-OLZOCXBDSA-N 260.341 1.036 0 50 CDAA Cc1noc([C@@]2(O)CCN(Cc3cccc4[nH]ccc34)C2)n1 377860080 KVCWTNVDWYGSLD-MRXNPFEDSA-N 298.346 1.953 0 50 CDAA CC(C)C[C@@H](O)C(=O)NCCCc1cccnc1 216523178 GKRCBVQBEIBNBK-CYBMUJFWSA-N 250.342 1.537 0 50 CDAA CO[C@H](C)C(=O)N(C)c1ccc(OCC(=O)O)cc1 263050649 NUYJLRDUWYEHSS-SECBINFHSA-N 267.281 1.148 0 50 CDAA Cc1cc(SCC(N)=O)ncc1Br 215963485 KJWVUOKQQOUYDB-UHFFFAOYSA-N 261.144 1.730 0 50 CDAA CC(C)Nc1ncc(CN2CCCn3cncc3C2)cn1 72143813 UYYIRKOKYTZPTH-UHFFFAOYSA-N 286.383 1.899 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2CN2CCCCC2)C1 237858101 CHBVKLNZILPMTA-BZUAXINKSA-N 293.455 1.981 0 50 CDAA Cc1cc[nH]c1C(=O)N1CC[C@@](CO)(C(C)C)C1 335334364 SXFHVYUTCBRBGE-CQSZACIVSA-N 250.342 1.804 0 50 CDAA COCCC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 263264779 NFYVTGLWXSDJFC-ZDUSSCGKSA-N 291.347 1.615 0 50 CDAA COC[C@H]1CN(C(=O)c2[nH]ccc2C)CC(C)(C)O1 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CCN(Cc1ccc(C)o1)C(=O)NCc1nc(N)n[nH]1 534655025 ZMDYSIQFVODKOB-UHFFFAOYSA-N 278.316 1.020 0 50 CDAA CC[C@@H](NC(=O)c1cccc2nccnc12)c1ncnn1C 534656087 NYZRKNDPHGTRHL-LLVKDONJSA-N 296.334 1.639 0 50 CDAA CCOC(=O)[C@@H](C)OC1CN(C(=O)OC(C)(C)C)C1 260207028 RWVIBLCKDZWTFI-SECBINFHSA-N 273.329 1.574 0 50 CDAA Nc1ncc(C(=O)NCC2(Cn3ccnc3)CC2)s1 534583283 HIPCRQMWTUHUSR-UHFFFAOYSA-N 277.353 1.132 0 50 CDAA CN1CCC(OCCCNC(=O)Cn2cccc2)CC1 299762541 XBDBMBYTRMWLPD-UHFFFAOYSA-N 279.384 1.105 0 50 CDAA Cc1nonc1CNC(=O)C[C@H](C)n1ccnc1C 299760634 VYIRDPHNOISFCI-QMMMGPOBSA-N 263.301 1.150 0 50 CDAA CCN(CC)S(=O)(=O)c1ccccc1NC(C)=O 390834931 SXIKTQIMLPGUNA-UHFFFAOYSA-N 270.354 1.676 0 50 CDAA C[C@H](NC(=O)CNC(=O)N(C)C)C1=CCCCC1 827989673 RLHUHWYTONOOSB-JTQLQIEISA-N 253.346 1.263 0 50 CDAA CCc1csc(CNC(=O)CCc2csc(N)n2)n1 823541871 AERRBMKIIAYPPP-UHFFFAOYSA-N 296.421 1.993 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)CSc1nccn1C 822619942 PDPVKFHXPVTRGW-NSHDSACASA-N 293.396 1.304 0 50 CDAA O=C(O)[C@@H]1CCCN(C2CCN(Cc3cc[nH]n3)CC2)C1 828474565 DFCLFNKANBZHEE-GFCCVEGCSA-N 292.383 1.171 0 50 CDAA CCN(C)C1(CN[C@@H](C)CS(C)(=O)=O)CCCC1 823067838 LFKJPQSBNLRRQT-LBPRGKRZSA-N 276.446 1.274 0 50 CDAA O=C1OC[C@H]2CN(C3Cc4ccccc4C3)CCN12 828322837 KHWXTUIIFPDQRZ-CQSZACIVSA-N 258.321 1.290 0 50 CDAA CN(C[C@H]1CCCN1C)C1CSCCSC1 584903001 HPOHFJYHWUNHET-LLVKDONJSA-N 260.472 1.861 0 50 CDAA CN1C[C@H](n2cnc3ccc(Cl)cc3c2=O)CCC1=O 584900158 OQARYNLCZYSDQU-SNVBAGLBSA-N 291.738 1.843 0 50 CDAA O=C(Cn1cc(-c2cc[nH]n2)nn1)C1(c2ccccc2)CC1 585134322 NDKNZSNYWCGJMN-UHFFFAOYSA-N 293.330 1.969 0 50 CDAA Cc1nc([C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)no1 584894627 FHBPFWUVYZSOFZ-GFCCVEGCSA-N 289.339 1.440 0 50 CDAA CO[C@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 630327946 BDQDQMMWKLKWSG-JFUSQASVSA-N 263.293 1.848 0 50 CDAA Cc1nc2cc(CNC(=O)c3cc[nH]n3)ccc2n1C 670441137 FHLIRGRMUSXWHD-UHFFFAOYSA-N 269.308 1.535 0 50 CDAA CC[C@H](C(=O)N[C@H]1CNC[C@H]1OC)c1ccc(OC)cc1 1548448182 SCBATRITYQFNPX-SOUVJXGZSA-N 292.379 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KJALUFSAOTYSAJ-NHCYSSNCSA-N 266.366 1.685 0 50 CDAA CSCCN1CCN(c2nc(C)ccc2C(=O)O)CC1 1506421446 PRHLYQGRSANZIJ-UHFFFAOYSA-N 295.408 1.573 0 50 CDAA CCOCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529095716 UUTOCKXNKDFGFU-GDBMZVCRSA-N 293.363 1.374 0 50 CDAA O=C([C@H]1C=CCN1)N1CCc2c(Cl)cccc2C1 1857683488 VHZGJOBQEUIGRH-CYBMUJFWSA-N 262.740 1.753 0 50 CDAA CSc1ccc2c(c1)CCN(C(=O)Cn1cnnc1)C2 1857696068 KZZLDTGVQPZMCK-UHFFFAOYSA-N 288.376 1.585 0 50 CDAA COc1cnc(C)cc1-c1nc(C)nn1[C@@H]1CCOC1 1857696583 HZXZSOVSBKLYKE-LLVKDONJSA-N 274.324 1.927 0 50 CDAA Cc1cc(C)n(CC2(CNC(=O)[C@@H]3CC[C@H](N)C3)CC2)n1 215369617 XWRBGYJYEIVFEU-KGLIPLIRSA-N 290.411 1.524 0 50 CDAA CCOC(=O)c1cnc(SC)nc1C(=O)OCC 1644911 RVHLRUKDQWAVPR-UHFFFAOYSA-N 270.310 1.552 0 50 CDAA in-vitro O=C(c1coc(Br)c1)N1CC[C@@H]2CNC[C@@H]21 334734285 CDSYJJAEJJPELL-APPZFPTMSA-N 285.141 1.476 0 50 CDAA O[C@H](CSCc1ccccc1F)[C@]1(O)CCOC1 1875279381 YMZKVZOMFRGMOZ-OLZOCXBDSA-N 272.341 1.571 0 50 CDAA O=C(Cc1ncc[nH]1)Nc1cccc(-c2cn[nH]c2)c1 1624523741 FSMHXQGDXRNSQK-UHFFFAOYSA-N 267.292 1.981 0 50 CDAA C[C@@H]1C[C@H]1C(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 376565570 NUCDTYTVZLYJSF-MGAJPHDKSA-N 265.378 1.938 0 50 CDAA CN(C(=O)CN1CCO[C@@H]2CCCC[C@H]21)C1CC1 250373900 MPQSJUIHUVUCMZ-CHWSQXEVSA-N 252.358 1.251 0 50 CDAA O[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 11842610 KSNXHEGBZNFPCG-GFCCVEGCSA-N 259.309 1.693 0 50 CDAA O[C@H](COc1cccc2ccccc12)CN1CCNCC1 19229532 PODKTVHURWLQLF-HNNXBMFYSA-N 286.375 1.485 0 50 CDAA c1cnc2c(CN3CCc4nncn4CC3)cccc2c1 19840269 RTCWRKKMSHZWHO-UHFFFAOYSA-N 279.347 1.885 0 50 CDAA Cc1nn(C)c2c1[C@H](NC(=O)c1csc(=N)[nH]1)CCC2 1857689735 WYZRRBHWBDYZSO-MRVPVSSYSA-N 291.380 1.405 0 50 CDAA CC(=O)c1ccc(N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)nc1 1857732702 BMKXQSQKYJWKBP-BPNCWPANSA-N 275.352 1.558 0 50 CDAA O=C([C@@H]1CCc2ncnn2C1)N1CCc2sccc2C1 1857736156 XZCIQGIYCVVIII-LLVKDONJSA-N 288.376 1.487 0 50 CDAA Cc1ccc(N2CCC[C@@H](Nc3ncc(F)cn3)C2)nn1 676563525 XNIWABRPCWIKHI-GFCCVEGCSA-N 288.330 1.795 0 50 CDAA Cc1cc(F)ccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](C)CN2C1 1875245050 HXONMVAGSQQCBL-UBHSHLNASA-N 292.354 1.726 0 50 CDAA O=C(O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 3865022 RITOUJDZVRPURH-QMMMGPOBSA-N 275.351 1.233 0 50 CDAA in-vitro COc1ccc(C)cc1CCNC(=O)C1(C(=O)O)CC1 154762696 SNKXVUVWUQWMRY-UHFFFAOYSA-N 277.320 1.527 0 50 CDAA N[C@@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 158259205 QUIVAPXQLWQOPU-LLVKDONJSA-N 262.328 1.807 0 50 CDAA NC(=O)[C@@H]1CCN(C[C@H]2C[C@@H]2c2ccc(F)cc2)C1 585140651 HXAPIPIDIYPYEL-YRGRVCCFSA-N 262.328 1.736 0 50 CDAA COC[C@]1(C(=O)O)CCN(C(=O)CC[C@H]2CC[C@@H](C)O2)C1 263088464 SMXWTIXLQPRORM-JMSVASOKSA-N 299.367 1.284 0 50 CDAA COC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 36122883 ZOSBGGRXUBFAPW-UHFFFAOYSA-N 268.744 1.635 0 50 CDAA CN(C)c1ccc(C2(C(=O)N3CCC34COC4)CC2)cc1 854840141 OCEQUHSMHPUATI-UHFFFAOYSA-N 286.375 1.786 0 50 CDAA O=C(O)c1cncc(NC(=O)[C@@H]2CCc3cncn3C2)c1 902044190 ZYYHKMUYFKLJIC-SECBINFHSA-N 286.291 1.177 0 50 CDAA C[C@@H]1CCn2ncc(C(=O)N3CC(C)(C(=O)O)C3)c2C1 910059351 DHOIDOWGHVPAJV-SECBINFHSA-N 277.324 1.012 0 50 CDAA C[C@]1(NC(=O)Cn2nnnc2-c2ccccc2)CC=CCC1 822488271 KWZHWWDGPMCCHG-INIZCTEOSA-N 297.362 1.955 0 50 CDAA N=c1[nH]n(Cc2ccccc2)cc1I 1857781169 RGHREQOSLAOCDS-UHFFFAOYSA-N 299.115 1.949 0 50 CDAA Cc1ccccc1OCCCC(=O)NC1(C(=O)O)CC1 203653352 DAKDMERDJDMKFW-UHFFFAOYSA-N 277.320 1.887 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1O2 225457460 QIJNFZAJCSIAKA-LMLFDSFASA-N 253.298 1.020 0 50 CDAA COc1ccc(C(=O)N(C)C2CCNCC2)c(F)c1 125436927 HSLSRNFNRXCZIV-UHFFFAOYSA-N 266.316 1.658 0 50 CDAA CCN(CCC(=O)O)C(=O)[C@@H]1CC12CCOCC2 237041314 KJFKPCOPRHWODO-JTQLQIEISA-N 255.314 1.126 0 50 CDAA COC[C@](C)(CC(=O)O)NC(=O)c1ccsc1 237106122 UNAGAGVLFBHUSX-NSHDSACASA-N 257.311 1.358 0 50 CDAA CCOC[C@@H](O)CN1CCC[C@H]1c1noc(C(C)C)n1 257365432 LUOPUHVKELKBLT-RYUDHWBXSA-N 283.372 1.727 0 50 CDAA O=S(=O)(Cc1ccccc1)NCCCc1cn[nH]c1 314600727 SIZQOQOYERGZHY-UHFFFAOYSA-N 279.365 1.462 0 50 CDAA Cc1nc([C@H](C)Nc2nnc(C(C)(C)C)o2)n[nH]1 91914789 KUPRKENCDLWEON-LURJTMIESA-N 250.306 1.967 0 50 CDAA Cc1nc(O)cc(N2CCC(N3CCCC3=O)CC2)n1 892342520 PNKQCKPAPCMZIP-UHFFFAOYSA-N 276.340 1.082 0 50 CDAA O=C(NC[C@H]1CCCO1)c1nc(-c2cccs2)no1 1426611 YPASAQXKLOMDEP-MRVPVSSYSA-N 279.321 1.707 0 50 CDAA Cc1ncn(-c2ccc(NC(=O)Cn3nccn3)cc2)c1C 2325737333 UVLWUDMIHLOPQW-UHFFFAOYSA-N 296.334 1.719 0 50 CDAA C[C@@H]1C[C@]2(C(=O)N3CC[C@@H](c4nccc(O)n4)C3)C[C@H]12 2325791224 CVPVLXQSLLRHIW-CZFOOCMKSA-N 273.336 1.544 0 50 CDAA O=C(O)C1CCC(C(=O)Nc2cnn3cccnc23)CC1 2325810117 UYKIRGSOMIUSLC-UHFFFAOYSA-N 288.307 1.559 0 50 CDAA CCOC(=O)N1C[C@H](C)N(C(=O)OCC)C[C@@H]1C 214541 SWGPJPNOQKWDKT-UWVGGRQHSA-N 258.318 1.694 0 50 CDAA CC(=O)Nc1ccc(C(=O)N[C@H]2CCSC2=O)cc1 318380 HKOMUYMBQWNZTD-NSHDSACASA-N 278.333 1.407 0 50 CDAA O=C(O)[C@@H]1CCC(=O)N1Cc1cccc(Cl)c1 395895 HTTLIOSKZPIJHB-JTQLQIEISA-N 253.685 1.916 0 50 CDAA O=C1NNC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 1640406 WCCPZQAFQNKUHF-QDIHITRGSA-N 290.322 1.671 0 50 CDAA Cc1sc2ncnc(NCCOCCO)c2c1C 1803388 UHKRFAGARAGZKR-UHFFFAOYSA-N 267.354 1.729 0 50 CDAA C[C@@H](CNC(=O)c1cccnc1)NC(=O)c1cccnc1 1817747 KTXBOOWDLPUROC-NSHDSACASA-N 284.319 1.025 0 50 CDAA investigational CCOC(=O)c1ccc(N(C[C@H](C)O)C[C@H](C)O)cc1 2032875 CBZHHQOZZQEZNJ-RYUDHWBXSA-N 281.352 1.431 0 50 CDAA in-man CN(C)CC(=O)Nc1c2c(nc3ccccc13)N(C)CC2 3143994 SUBSKDLONAPVDG-UHFFFAOYSA-N 284.363 1.727 0 50 CDAA CCOc1c(OC)cccc1C(=O)N1CCOCC1 4840341 USOJZCHVXBISGI-UHFFFAOYSA-N 265.309 1.566 0 50 CDAA CCOC(=O)N1CCc2c(sc(N)c2C(=O)OC)C1 4290569 YYMWWBSMGRVGOB-UHFFFAOYSA-N 284.337 1.632 0 50 CDAA NC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)O)c1 6526206 MUOVLOBFAQJCIQ-UHFFFAOYSA-N 270.672 1.242 0 50 CDAA COc1ccc(CN2CC[C@@H](O)[C@H](CO)C2)cc1C 414561914 SZFSJGXCPBSHIW-UONOGXRCSA-N 265.353 1.179 0 50 CDAA COc1ccc(O)c(C(=O)N[C@@H]2CCN(C(C)C)C2=O)c1 114652849 ZNSUAOCBNAKXJD-GFCCVEGCSA-N 292.335 1.140 0 50 CDAA CCOc1cccc(/C=C2\NC(=S)N(CC)C2=O)c1O 100274736 BQGFIDIWBSJVRH-NTMALXAHSA-N 292.360 1.868 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccn1 100320459 CDNKPIRXQQWJCC-XPXLGCRWSA-N 258.277 1.543 0 50 CDAA COC(=O)c1nnsc1NC(=O)c1cccc(F)c1 20745134 UDQZKTYVFAYUTQ-UHFFFAOYSA-N 281.268 1.716 0 50 CDAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCOC1 248161205 XQGCZQWMZBCQCW-JHJVBQTASA-N 252.358 1.108 0 50 CDAA CO[C@H](C)CC(=O)N1CCC[C@H]1[C@H]1CCCN1C 248157277 WAKQZSROWCVAAJ-UPJWGTAASA-N 254.374 1.497 0 50 CDAA Cc1nc(N(C)C)nc(N(C)C[C@H]2COCCO2)c1C 65397735 LWBCBHDVVICRCV-LBPRGKRZSA-N 280.372 1.011 0 50 CDAA Cc1cc(=O)[nH]cc1C(=O)Nc1ccc2[nH]ncc2c1 119262506 DIAOCDNNZAKVSA-UHFFFAOYSA-N 268.276 1.812 0 50 CDAA CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C2(C(=O)O)CC2)C1 118957416 TWEKWENMMJLTMW-MNOVXSKESA-N 296.367 1.051 0 50 CDAA Cc1c(C(=O)N(C2CC2)[C@H]2CCNC2)cnn1CC(C)C 423454013 KABKOVWYBNJQED-AWEZNQCLSA-N 290.411 1.814 0 50 CDAA COCC1(CN[C@H](C)c2nccn2C)CCOCC1 368364373 MEFQHDGIRUHXAX-GFCCVEGCSA-N 267.373 1.514 0 50 CDAA Cc1nc[nH]c1C(=O)NCC[C@@H]1CN(CC(C)C)CCO1 67869175 QLBYHAJKSAFJSQ-CYBMUJFWSA-N 294.399 1.195 0 50 CDAA C[C@H](O)C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 328586908 BHGQWNRSRBEXSC-SDBXPKJASA-N 273.254 1.743 0 50 CDAA Cc1ccsc1CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 65462127 BRURGLWDCSMUJF-NSHDSACASA-N 292.404 1.726 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)N(C)Cc2cccnc2)n[nH]1 124461548 RZNFGVKWXBGLLW-LLVKDONJSA-N 287.367 1.886 0 50 CDAA CCOC(=O)[C@@H]1CN(C)CCN1Cc1ccccc1 39022616 ONEHQIOWNHNCLM-AWEZNQCLSA-N 262.353 1.366 0 50 CDAA C[C@@]12CCN(C(=O)C3(S(C)(=O)=O)CC3)C[C@H]1C2(F)F 329089260 IKSAVRSEHKOEBY-PSASIEDQSA-N 293.335 1.067 0 50 CDAA O=C(Cc1cccc(F)c1F)N[C@H]1C[C@@H]2OCC[C@H]12 219287189 FZQARKWNPSVSFL-USWWRNFRSA-N 267.275 1.801 0 50 CDAA O=c1c2ccncc2ncn1Cc1cnc2ccccn12 32529882 SGVQFFIWEJLHRK-UHFFFAOYSA-N 277.287 1.488 0 50 CDAA O=C(c1ocnc1C1CC1)N1CCN[C@@H](c2cccnc2)C1 368168952 VQEZSDNSCJXMJX-CYBMUJFWSA-N 298.346 1.734 0 50 CDAA CC(C)N(CCC(=O)O)C(=O)Cn1ncc2ccccc21 236741579 HBMYFLKBRYGYJT-UHFFFAOYSA-N 289.335 1.748 0 50 CDAA O=C(CCCCc1ccccc1)N1CCOC[C@H](CO)C1 77392913 FWHVCYPXZAMKIL-INIZCTEOSA-N 291.391 1.867 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCN[C@@H](C)C1 237073191 GNGGFYMSVLSCTD-JTQLQIEISA-N 265.357 1.162 0 50 CDAA CCc1ccc(CN2CCC[C@](O)(CO)CC2)nc1 72145012 NPICSJXQTKYIRV-OAHLLOKOSA-N 264.369 1.353 0 50 CDAA COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCN)C2)cc1 237228529 NBZOFMLOEAHIBZ-DGCLKSJQSA-N 262.353 1.748 0 50 CDAA Cc1cc(C(=O)N[C@@](C)(C(=O)O)C2CC2)nn1C(C)(C)C 237777888 HCQWYOZWVLUZKC-OAHLLOKOSA-N 293.367 1.930 0 50 CDAA COc1cc(C)nc(CN[C@H]2CC[C@@H](CO)C2)c1 449427359 NSFWBRHIHJMPLX-NEPJUHHUSA-N 250.342 1.649 0 50 CDAA CCc1cc(=NC(=O)c2occ3c2CCOC3)[nH][nH]1 376606523 OPNIVBRPJHTICR-UHFFFAOYSA-N 261.281 1.312 0 50 CDAA CC(C)c1noc2ncc(C(=O)N(C)CCCN)cc12 158856906 INRWBGQORKPXPI-UHFFFAOYSA-N 276.340 1.767 0 50 CDAA CN(Cc1nccn1C)C(=O)[C@H]1CCc2ccccc2O1 336284648 BOCORDWWKMLMMK-CQSZACIVSA-N 285.347 1.772 0 50 CDAA O=C(NC1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@H]21 336440045 ZBUZHIHZYMIGCL-JQWIXIFHSA-N 250.342 1.446 0 50 CDAA COc1ccc2c(c1)[C@H](NS(C)(=O)=O)CC(C)(C)O2 72119187 FWZMENIHUJXTAD-LLVKDONJSA-N 285.365 1.847 0 50 CDAA Cc1nc([C@@H](C)N(C)C(=O)c2c[nH]c(=O)cn2)c(C)s1 77471043 DACOPKUTEPZOAI-SSDOTTSWSA-N 292.364 1.676 0 50 CDAA CCCN(CCc1ccccn1)C(=O)C1(O)CCC1 286912693 KHQXUNFPAMJSSX-UHFFFAOYSA-N 262.353 1.778 0 50 CDAA Cn1nc(C(=O)NC[C@@H]2CCCCO2)c2ccccc21 221390831 ABUAJNOXZLDSMV-NSHDSACASA-N 273.336 1.872 0 50 CDAA CC[C@H](NC(=O)CN(C)Cc1ccncc1)[C@H]1C[C@@H](O)C1 220113230 BDXVGYRYTQWPOF-KKUMJFAQSA-N 291.395 1.179 0 50 CDAA Cc1nnsc1CNC(=O)c1onc2c1CCCC2 426424189 DAXGDIPKYSQSJP-UHFFFAOYSA-N 278.337 1.643 0 50 CDAA CCn1ccnc1CNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 615710828 SSBSTCBPYLSVLM-NSHDSACASA-N 287.367 1.356 0 50 CDAA C1CSCC(N2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)CS1 426381836 XYXNRUMCRKKVAE-MPZDIEGVSA-N 270.467 1.517 0 50 CDAA COc1ccc(C(=O)N(C)CCc2noc(C)n2)cc1F 222590975 LXBQUZONSVVJLH-UHFFFAOYSA-N 293.298 1.840 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1ccn(C(C)C)n1 426503634 XKRAZOMBUMHGIU-LLVKDONJSA-N 290.371 1.957 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)c1cscn1)C1CC1 82280523 XPDBMRAYLSLINJ-JTQLQIEISA-N 262.338 1.758 0 50 CDAA O=C(Cn1nccc1[C@H]1CCCNC1)NCc1cccnc1 426477544 JYGACLKKVHJAMS-AWEZNQCLSA-N 299.378 1.062 0 50 CDAA Cc1ccsc1CN(C)C(=O)c1n[nH]c(O)n1 80209859 SQGHAFLOYWUJSL-UHFFFAOYSA-N 252.299 1.152 0 50 CDAA Cc1c[nH]c(CN2C[C@@H](C)[C@](O)(C3CCC3)C2)c(C)c1=O 91966332 DGTOQEFXHRNWBU-PXAZEXFGSA-N 290.407 1.975 0 50 CDAA O=C(N[C@@H]1CCCCNC1=O)c1cccc(-c2ncc[nH]2)c1 97546560 LTUVPFNMVXBVDT-CYBMUJFWSA-N 298.346 1.475 0 50 CDAA C[C@H](c1ccc(-c2ncn(C)n2)cc1)N1CCOCC1 426486164 NASUDJIRMLEVDT-GFCCVEGCSA-N 272.352 1.875 0 50 CDAA Cc1nccn1CCn1ncc(N2CCCCC2)cc1=O 95367045 KWNYWTWNJBSFCA-UHFFFAOYSA-N 287.367 1.439 0 50 CDAA COC(=O)c1ccc(NC(=O)N2CC[C@@H](N)C2)cc1Cl 96150675 RMXCOPVDZJVBQQ-MRVPVSSYSA-N 297.742 1.692 0 50 CDAA Cc1cc(C)n(C[C@@H](C)n2cc(-c3cncnc3)nn2)n1 95377813 GXUSDUWEJMVREA-GFCCVEGCSA-N 283.339 1.810 0 50 CDAA COCCN1C[C@H](Cc2ccc(OC)c(OC)c2)CC1=O 244764157 PCHJHFMBGHEVKU-CYBMUJFWSA-N 293.363 1.741 0 50 CDAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1c1ccccc1)[C@@H]42)[C@H]3O 244678693 IILGZOGGMQHUKS-NLCRBZRQSA-N 285.343 1.781 0 50 CDAA Cc1nnc(CN(C)CCN(C)C2CCCC2)o1 244701013 JYIIBICMNPDSAE-UHFFFAOYSA-N 252.362 1.684 0 50 CDAA CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 243152656 JOJNJQNCUZTIRH-RVMXOQNASA-N 285.409 1.458 0 50 CDAA CN1CCN(C(=O)[C@H]2CCOC2)[C@H](c2ccccc2)C1 248133771 NXUQKZXOXDCOQK-GJZGRUSLSA-N 274.364 1.538 0 50 CDAA Cc1ncoc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 252548758 QKDARLDRXPKCQA-NQBHXWOUSA-N 287.319 1.620 0 50 CDAA Cc1noc([C@H]2CN(Cc3n[nH]cc3C)C[C@@H](C)O2)n1 628444884 BGFRDNUZCSKBEU-BXKDBHETSA-N 277.328 1.372 0 50 CDAA C[C@@H]1c2ccccc2O[C@H]1C(=O)N[C@H]1CCc2nccn2C1 257365089 TUBKUVUDTIMLHV-BFQNTYOBSA-N 297.358 1.879 0 50 CDAA Cc1ncncc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 263245952 HRJQWKWFTBFOBW-CQSZACIVSA-N 297.314 1.437 0 50 CDAA CC(C)C[C@H](NC(=O)c1ccc[nH]1)c1ncnn1C 534581042 SWZHABSLLPOTOV-NSHDSACASA-N 261.329 1.660 0 50 CDAA CC(C)CC1(CNC(=O)CNC(=O)N(C)C)CCC1 534643552 YYOQPFRYJHDEQM-UHFFFAOYSA-N 269.389 1.590 0 50 CDAA CCCc1cc(CN(C)C(=O)Nc2cnn(C)c2)n[nH]1 299792379 GFVOTEIVTIYFCA-UHFFFAOYSA-N 276.344 1.760 0 50 CDAA CCn1nc(CO)c2c1CCN(Cc1nnc(C)s1)C2 299798430 UFRGLQDZCYJYJN-UHFFFAOYSA-N 293.396 1.114 0 50 CDAA CC1(C)NC(=O)CC[C@H]1NC(=O)c1ncc2ccccn12 630357933 VXJAQJIRZDZRGU-LLVKDONJSA-N 286.335 1.121 0 50 CDAA CCc1nccn1CCC(=O)NCCc1scnc1C 823557144 DJUKMVODQXIYGL-UHFFFAOYSA-N 292.408 1.959 0 50 CDAA c1ncn(CCCc2ncnn2-c2ccc3c(c2)CCC3)n1 820425470 ANQCFJNTDLQDGY-UHFFFAOYSA-N 294.362 1.980 0 50 CDAA CN1CCC[C@H](C(=O)N(C)CC2(CO)CCCC2)C1 584891843 KPIPORZJXGCWBX-ZDUSSCGKSA-N 268.401 1.339 0 50 CDAA CO[C@H]1COC[C@@H]1n1cnc2cccc(C)c2c1=O 584892531 LUJFGEIEQZKUBB-RYUDHWBXSA-N 260.293 1.291 0 50 CDAA CCc1nccn1C[C@H](C)NCCc1cnn(C)c1 584892857 ATELRMKCNHHZDE-LBPRGKRZSA-N 261.373 1.400 0 50 CDAA O=C(CCCn1cccn1)NCc1cc(C2CC2)n[nH]1 584884738 PTUWSJBWKLMMMT-UHFFFAOYSA-N 273.340 1.580 0 50 CDAA O=C(C1CCC1)N1CCCN(C[C@@H]2CCCOC2)CC1 670437757 WEUQJSKNXDRTFH-AWEZNQCLSA-N 280.412 1.747 0 50 CDAA CC(C)C1(O)CN(C(=O)c2ccc(-c3cn[nH]c3)cn2)C1 867822593 BFAZQXDTGJFKQX-UHFFFAOYSA-N 286.335 1.315 0 50 CDAA O=C(N[C@@H]1CCCSC1)c1ccc(CO)nc1 1298534646 QBIAYMXXBAOUBZ-LLVKDONJSA-N 252.339 1.199 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1c1nnc(C)o1 1875367211 POVMBWSLVWLJMD-NSHDSACASA-N 292.339 1.076 0 50 CDAA O=C(NCc1nc(C2CC2)no1)C1CC2(CCCCN2)C1 1875309560 CFDWQRKVQKBZSK-UHFFFAOYSA-N 290.367 1.486 0 50 CDAA Cc1cc(CN)cc(NC(=O)c2c[nH]c(C(N)=O)c2)c1 1875336561 BPNCYUKBLUQAKM-UHFFFAOYSA-N 272.308 1.133 0 50 CDAA O=C(O)c1cccnc1N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 1875266549 ODWXQCYIJJVAIJ-UTUOFQBUSA-N 276.336 1.767 0 50 CDAA Cc1occc1CNC(=O)N1C[C@@H]2[C@@H]3COC[C@H]3[C@@H]2C1 1875268530 SYTQRTHIGNFVLH-CRWXNKLISA-N 276.336 1.622 0 50 CDAA Cc1cc(NC(=O)NC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)on1 1875291268 SWAYGOOQJHFLDC-YXZBHFDYSA-N 263.297 1.528 0 50 CDAA Cc1nscc1CNc1cnc(C)c(C(N)=O)c1 1875281409 WMCCFVFWOGPCPZ-UHFFFAOYSA-N 262.338 1.866 0 50 CDAA CC[C@H](C)n1nccc1C(=O)N=c1cc(C)nc(OC)[nH]1 1875276092 NRCQXFYWARNAPF-JTQLQIEISA-N 289.339 1.635 0 50 CDAA O=C([C@H]1CCC[C@@H](CF)C1)N1CCc2c(O)ncnc2C1 1875310074 BVPOXUZLMKJHBM-MNOVXSKESA-N 293.342 1.843 0 50 CDAA CC1=C(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)OCCO1 952988706 OWYLKYZLWUNUQO-CYBMUJFWSA-N 291.351 1.552 0 50 CDAA CC1=C(C(=O)N(C)[C@H](C)c2ccccn2)OCCO1 952988603 PCOVVFQLXGCKGB-SNVBAGLBSA-N 262.309 1.879 0 50 CDAA CC(C)C[C@H]1CN(C)CCN1C(=O)c1ncc[nH]1 886600628 YRLSPGNXVQGXKC-NSHDSACASA-N 250.346 1.212 0 50 CDAA CN1CCC[C@H]1c1cc(C(=O)N2CCCCC2)n[nH]1 895427766 KLGLUUTXEBKCEG-ZDUSSCGKSA-N 262.357 1.803 0 50 CDAA CN(C)c1cccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c1 244778643 PUFKMOXEVWRGII-ITGUQSILSA-N 274.320 1.155 0 50 CDAA O=C1CNCCN1c1ccc(Br)cc1 44136963 WORBLAPBQYNWAU-UHFFFAOYSA-N 255.115 1.385 0 50 CDAA in-vitro Cc1cc(C)c(CC(=O)N2C[C@H](N)C3(CCC3)C2)c(O)n1 1775961913 IINZDXLEJPWYGW-ZDUSSCGKSA-N 289.379 1.286 0 50 CDAA C[C@@H](CCc1ccc(O)cc1)NN1CCN(C)CC1 19169881 TYMIIFAENAVWOE-ZDUSSCGKSA-N 263.385 1.465 0 50 CDAA CCS(=O)(=O)Nc1cc(C(=O)OC)ccc1C 6706421 TYJNFRQIHFWGNO-UHFFFAOYSA-N 257.311 1.543 0 50 CDAA Cc1cccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3)c1 631973745 LPBRHDAZZKTQIJ-TXEJJXNPSA-N 266.366 1.120 0 50 CDAA O=C(N[C@]12CCC[C@H]1NCC2)c1cccc2c1CCOC2 1580757151 IHAPPWWPMDNUJR-WBVHZDCISA-N 286.375 1.774 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1CNC1CCN(C=O)CC1 170088931 ICLNFDGKZGYMEX-HIFRSBDPSA-N 268.401 1.648 0 50 CDAA CC1=NO[C@H](CNC(=O)N=c2ccc(C3CC3)n[nH]2)C1 585120121 TTZGVOVCGBZHBK-JTQLQIEISA-N 275.312 1.062 0 50 CDAA CC(C)(C)[C@H]1CSCCN1C(=O)CCS(C)(=O)=O 585124649 LDVSZIZMKQCTGK-SNVBAGLBSA-N 293.454 1.411 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1[C@H](CO)CC[C@H]1CO 585126011 LBWUSRAHMRTRPA-PEDHHIEDSA-N 267.369 1.157 0 50 CDAA NS(=O)(=O)C[C@@H]1CCCCN1CCCc1ccccc1 585133643 OXSNASYYJZEHGW-HNNXBMFYSA-N 296.436 1.762 0 50 CDAA Cn1ccc(NC(=O)N(CC(C)(C)O)C2CC2)n1 188804389 ZKHPFQFAIBCVNO-UHFFFAOYSA-N 252.318 1.187 0 50 CDAA O=S(=O)(Cc1ccnc(Cl)c1)[C@H]1CCCOC1 408513918 XTMRQFGTXUYYPW-JTQLQIEISA-N 275.757 1.829 0 50 CDAA c1cc(-c2noc(-c3cnsn3)n2)c2nccn2c1 225553938 NSBPWQJPPMQDNB-UHFFFAOYSA-N 270.277 1.903 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](C)c1cccs1 643851839 ROKJLHLODJOSRG-IINYFYTJSA-N 297.376 1.944 0 50 CDAA CC[C@@H](N[C@H]1CCCn2nc(C(C)C)nc21)C(=O)OC 192856767 OAXVJLQQYMRPLM-MNOVXSKESA-N 280.372 1.778 0 50 CDAA Cc1nsc2ncn(Cc3cc4n(n3)CCC4)c(=O)c12 651195408 LPJLCDNXZGBJRT-UHFFFAOYSA-N 287.348 1.352 0 50 CDAA O=C(O)[C@@H](c1ccccc1)N1CCc2nccnc2C1 659803996 RNSGIPDGWATEGW-CQSZACIVSA-N 269.304 1.661 0 50 CDAA Cc1nnc(CN2CC[C@@H](O)CC(C)(C)C2)s1 660738212 QJSGUTDXVBCHAG-SNVBAGLBSA-N 255.387 1.829 0 50 CDAA COc1ccc(NC(C)(C)C(=O)NCC(=O)O)cc1 1506407792 RXDAVJFSGHTFQM-UHFFFAOYSA-N 266.297 1.087 0 50 CDAA O=C(O)c1cccnc1NCCCN1CCC[C@@H](CO)C1 1506428527 QRVGTKBFCVIDIG-GFCCVEGCSA-N 293.367 1.286 0 50 CDAA Cc1cnn([C@H]2CCN(c3ncc(Cl)c(O)n3)C2)c1 1857531571 VKWVPZKIWIYRGR-VIFPVBQESA-N 279.731 1.792 0 50 CDAA Cc1nn(CCN)c(C)c1-c1cccc(CC(=O)O)c1 1857734666 ZHFQALWREOKWCZ-UHFFFAOYSA-N 273.336 1.753 0 50 CDAA COc1ccc(CN2CCC[C@@H](O)C2)c(OC)c1 207301 UACNZXHUXSAGAV-GFCCVEGCSA-N 251.326 1.661 0 50 CDAA C[C@H](CN)N(C)S(=O)(=O)c1ccc(Cl)cc1 237657669 HDTONZPCZWCCDA-MRVPVSSYSA-N 262.762 1.308 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2c(F)cccc2F)CC[C@@H]1O 1704313096 NVKCOPPYTRKDHS-BIGNPOOSSA-N 299.317 1.757 0 50 CDAA CCc1n[nH]c(NS(=O)(=O)c2ccccc2OC)n1 253428806 OIAXAMOWFXYMBJ-UHFFFAOYSA-N 282.325 1.177 0 50 CDAA COc1cc2c(cc1OC)CN(C[C@H]1C[C@@H]1C(=O)O)CC2 1615002248 ULVGGNALNGUAQF-OLZOCXBDSA-N 291.347 1.783 0 50 CDAA COc1nscc1[C@H](C)NC[C@@H](O)CN1CCCCC1 1615551036 NVBRUTXCTPNNSK-NWDGAFQWSA-N 299.440 1.649 0 50 CDAA CCc1nccn1CCCNC(=O)c1ccc2c[nH]nc2n1 1775980434 XNPYMEUEOUTDBZ-UHFFFAOYSA-N 298.350 1.537 0 50 CDAA CN(Cc1cccc(O)c1)C[C@@H]1CCC(=O)N(C)C1 1775980563 ZTJYFMTUZUVZBR-ZDUSSCGKSA-N 262.353 1.692 0 50 CDAA C1CCC(Nc2nc3nonc3nc2N2CCOCC2)C1 11842792 UGGXQKMNYRKMSI-UHFFFAOYSA-N 290.327 1.204 0 50 CDAA Cc1nc[nH]c1CN[C@@H]1CC(=O)N(CCc2ccccc2)C1 12445736 JTPFPRUFGGQLJF-OAHLLOKOSA-N 298.390 1.651 0 50 CDAA CN1CCC2(CC1)OCCN2C(=O)c1ccco1 13684325 GSUAYGXPVMNCCF-UHFFFAOYSA-N 250.298 1.174 0 50 CDAA CCc1noc(C)c1C(=O)NC1CCN(CC)CC1 16603927 JPLKFIWFVOSKIW-UHFFFAOYSA-N 265.357 1.760 0 50 CDAA S=C(NCCN1CCOCC1)Nc1ccccc1 19681250 ULYUELUHTXYHQQ-UHFFFAOYSA-N 265.382 1.305 0 50 CDAA O=C(O)[C@@H]1CN(CCCn2cccn2)CC12CCOCC2 1857689230 JZIXGVJYVXYGGP-ZDUSSCGKSA-N 293.367 1.086 0 50 CDAA CC(=O)N1CCC2(CC1)C[C@H](O)C[C@H](C(C)(C)C)O2 1857700641 YUXAIDYJSUSJDN-CHWSQXEVSA-N 269.385 1.954 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2C[C@H]3C(=O)O)cc1 248030983 QBDDWRLXKCGRJY-NTZNESFSSA-N 295.360 1.479 0 50 CDAA Cc1ccnc(NCCNC(=O)c2cccnc2)c1 301632959 JXBGEELUMPAOPP-UHFFFAOYSA-N 256.309 1.627 0 50 CDAA COc1ccc(CC(=O)N[C@@H](C)Cn2cncn2)cc1F 123353117 FCBIIADWUCXPQO-JTQLQIEISA-N 292.314 1.173 0 50 CDAA C[C@@H]1CCCN(C(=O)c2cccc3c2OCO3)[C@H]1CN 237448849 XVOPMCSFPRARJR-PWSUYJOCSA-N 276.336 1.615 0 50 CDAA N[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 237920920 PYRMAASDNPPSLI-MXWKQRLJSA-N 266.291 1.628 0 50 CDAA Cc1csc(CNC(=O)N2CCO[C@@H](CN(C)C)C2)c1 458990163 DAIVOUUIXAGFLD-LBPRGKRZSA-N 297.424 1.529 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CN)C1 246568988 BHEQMCGDGXCKAM-AEGPPILISA-N 258.365 1.906 0 50 CDAA CN(C)c1nc(NCc2csc(C(F)(F)F)n2)n[nH]1 902557351 DXHONVOEDVNQLC-UHFFFAOYSA-N 292.290 1.958 0 50 CDAA O=C([C@@H]1CC[C@@H]2CCCCN21)N1CC(OC(F)F)C1 907581146 BQCWEQBAQGDIMM-ONGXEEELSA-N 274.311 1.453 0 50 CDAA Cc1cc(CC(=O)NC[C@@H]2CCC3(CCOCC3)O2)on1 832407254 CDZNMURGRHMKOK-LBPRGKRZSA-N 294.351 1.370 0 50 CDAA CC(C)N(CC(=O)O)C(=O)[C@H]1CCOc2ccccc21 111614465 ATFHNSIWKIVZHN-LBPRGKRZSA-N 277.320 1.874 0 50 CDAA C[C@@H](CC(=O)N1CCO[C@H](C(=O)O)C1)c1ccccc1 237335377 YQDNSLJVGJAQOX-AAEUAGOBSA-N 277.320 1.492 0 50 CDAA COc1ccccc1NC(=O)CN1CCC[C@@H](OC)C1 76347201 KKZMLKWTMZXTMR-GFCCVEGCSA-N 278.352 1.745 0 50 CDAA CO[C@]1(C(=O)O)CCN(C[C@@H](O)c2ccccc2C)C1 530168251 BIIFUVALSGYQHM-UKRRQHHQSA-N 279.336 1.204 0 50 CDAA Cc1nscc1C(=O)N(CCC(=O)O)CC1CC1 683304138 GJORWQLJDCUZCG-UHFFFAOYSA-N 268.338 1.778 0 50 CDAA O=C(c1c(F)cccc1Cl)N1C[C@@H](O)[C@H](F)C1 952980987 MZMGJIKPYIXBRJ-RKDXNWHRSA-N 261.655 1.634 0 50 CDAA Cc1noc(C2CC2)c1C(=O)N1CCCc2nn[nH]c21 2325733311 QCIXDHYFIRRFCI-UHFFFAOYSA-N 273.296 1.572 0 50 CDAA COc1cccc(OCCCNC2=NCCCCN2)c1 849216072 SSTNRMGXIYAUAX-UHFFFAOYSA-N 277.368 1.793 0 50 CDAA COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 50225 YSILPCFQYCQJDY-QMMMGPOBSA-N 298.136 1.975 0 50 CDAA O=C(O)CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100495 VJQIELFQBSTLSN-VIFPVBQESA-N 299.735 1.790 0 50 CDAA CC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1 310697 NTHDROUEJLGJDS-UHFFFAOYSA-N 288.398 1.503 0 50 CDAA COc1cc(C(N)=O)cc(Br)c1OC 479870 VGULIFJEXBRFIS-UHFFFAOYSA-N 260.087 1.565 0 50 CDAA O=C1OCC[C@H]1Sc1nnc(-c2ccco2)o1 617510 WSOAEUJWANDBGV-SSDOTTSWSA-N 252.251 1.737 0 50 CDAA [O-][n+]1c2c(nc3c1-c1ccccc1[C@H]3O)CCCC2 1406017 VITKMXPVZUWSEJ-OAHLLOKOSA-N 254.289 1.656 0 50 CDAA CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)O 2557974 CEIWXEQZZZHLDM-AAEUAGOBSA-N 279.336 1.614 0 50 CDAA in-vitro Cc1nc[nH]c1CN1CCC[C@]12CCCN(C1CC1)C2=O 2356149106 KDODLURQHYDQDR-MRXNPFEDSA-N 288.395 1.838 0 50 CDAA C[C@H](Cc1cnccn1)N(C)Cc1cccc2ncnn12 2356167171 JHNIKVOWJYDILY-GFCCVEGCSA-N 282.351 1.582 0 50 CDAA CC(C)OC[C@@H](O)C[S@@](=O)Cc1ccccc1 4948508 RGRKFEQYNLZNMK-CXAGYDPISA-N 256.367 1.721 0 50 CDAA CCOC(=O)CCN1CCC[C@H]1CC(=O)OCC 4973180 RSMIWMXMSGRQMM-NSHDSACASA-N 257.330 1.357 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(Cc2ccccc2)S1 6614381 YEEHEDOXYIAVSS-CQSZACIVSA-N 291.376 1.948 0 50 CDAA Cc1cc(=O)n2nc(NCc3cccs3)nc2[nH]1 100998997 NLLCZDOQWKUFJM-UHFFFAOYSA-N 261.310 1.400 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2CC(=O)N2CCC2)c1 282142547 KQRJILLSXCMRML-ZFWWWQNUSA-N 290.363 1.035 0 50 CDAA O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1 9995898 DCWNOVUPIHBNBX-UHFFFAOYSA-N 294.376 1.363 0 50 CDAA O=c1[nH]ccn2nc(-c3ccc4c(c3)OCO4)cc12 57352243 ABXBHZNNWQXXLE-UHFFFAOYSA-N 255.233 1.418 0 50 CDAA CC[C@@H]1C=CCN1C(=O)c1c[nH]c2cc(C)nn2c1=O 102251559 LHPDMZFDGHGWCB-SNVBAGLBSA-N 272.308 1.122 0 50 CDAA CCc1nnc(CN(CC)C(=O)CCN2CCCCO2)o1 55401916 NHMJGEUNEULGPX-UHFFFAOYSA-N 296.371 1.398 0 50 CDAA COc1ccc(N2C[C@@H](c3nnc(N)o3)CC2=O)cc1 21663347 CLNAQRJIXSWUCQ-QMMMGPOBSA-N 274.280 1.181 0 50 CDAA N[C@@H]1CCc2cc(Br)ccc2NC1=O 118537344 MLCIKXLZQSZZQS-MRVPVSSYSA-N 255.115 1.661 0 50 CDAA Cc1cc(C)n(CCCNC2CCN(C)CC2)n1 120727030 HYXLVGCYAMYHMB-UHFFFAOYSA-N 250.390 1.574 0 50 CDAA CC[C@H](N)C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 121583671 NNPHBEYLGVZKEG-KKUMJFAQSA-N 276.380 1.838 0 50 CDAA Cc1cnc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)s1 241121712 JDJDJMXLVRVYAV-QWRGUYRKSA-N 288.438 1.897 0 50 CDAA NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1nnc(C2CC2)s1 428192944 XCMNOLLRGKEYFX-UMNHJUIQSA-N 292.408 1.501 0 50 CDAA O=C(Cc1ccc2n[nH]cc2c1)NCCN=c1cc[nH]cc1 359279293 ZAGJLULTDXSESW-UHFFFAOYSA-N 295.346 1.151 0 50 CDAA CCCSc1ncc(CN2CCO[C@@H](CN)C2)cn1 67755888 QEIBYSUXBCJFOA-LBPRGKRZSA-N 282.413 1.138 0 50 CDAA C[C@H](O)[C@@H](C)SCCN1C(=O)NC2(CCCC2)C1=O 172951421 JBDGJWUSJAPXII-VHSXEESVSA-N 286.397 1.354 0 50 CDAA O=C(c1ccc(O)cn1)N(CCO)Cc1ccc(F)cc1 1506396456 SIWQDJMAUWDYKL-UHFFFAOYSA-N 290.294 1.561 0 50 CDAA CN1CCN(C(=O)Cc2ccoc2)C[C@H]1c1nccn1C 328625664 KXDYVDPSZNKESM-ZDUSSCGKSA-N 288.351 1.071 0 50 CDAA CC[C@@H](C(=O)NCc1cnn2ccccc12)n1cccn1 72167308 CQZDGNKOVXATEF-ZDUSSCGKSA-N 283.335 1.798 0 50 CDAA Cn1cc(C(=O)CCc2nc(-c3cccnc3)no2)cn1 253426816 BCAZZLDVABGLGF-UHFFFAOYSA-N 283.291 1.681 0 50 CDAA CCCn1cc(CNC(=O)COC[C@@H]2CCCCO2)cn1 219898484 HPQLXKGIFGCEGO-AWEZNQCLSA-N 295.383 1.495 0 50 CDAA CCc1cc(N(C)Cc2cnc(NC)nc2)n2nccc2n1 72478557 NEYMGRSHZDOUBT-UHFFFAOYSA-N 297.366 1.760 0 50 CDAA CCOc1ccccc1/C=C/C(=O)N1CC[C@H](N)C1 236890586 HCWCUOCZDXFDGJ-GWJCSSMESA-N 260.337 1.658 0 50 CDAA Cc1nc2c(c(NCc3ccc(CO)cc3)n1)CCNCC2 72417985 UREFXBTUHCQPFL-UHFFFAOYSA-N 298.390 1.578 0 50 CDAA O=C(NC[C@H]1CCCOC1)N[C@H]1CCN(CC(F)F)C1 333901603 IVPVMWBVLMWJPG-MNOVXSKESA-N 291.342 1.052 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](C)[C@@H]1CN 237515347 KKNJONFFNZGZQI-RFGFWPKPSA-N 284.400 1.156 0 50 CDAA OC[C@H]1Cc2ccccc2N(Cc2cnc3cnccn23)C1 367808254 ZTVBURDXHGHNMN-ZDUSSCGKSA-N 294.358 1.901 0 50 CDAA OC[C@@H](O)CNc1nnc(-c2ccccc2Cl)s1 133418614 GQSGEQVQELRQSW-ZETCQYMHSA-N 285.756 1.624 0 50 CDAA CC1(C)NC(=O)CC[C@@H]1NC(=O)C1CC(F)(F)C1 335057291 JDTHTEOQSARWFD-QMMMGPOBSA-N 260.284 1.205 0 50 CDAA CN1[C@H]2CC[C@@H]1CN(Cc1cc3n(n1)CCCNC3)CC2 72130775 UCHWMERQPLVHJA-LSDHHAIUSA-N 289.427 1.045 0 50 CDAA CO[C@H]1CCCN(C(=O)c2ccc(F)c(O)c2)C1 216384017 KZBWNLAOSHZDOT-JTQLQIEISA-N 253.273 1.782 0 50 CDAA CC(C)(CN1CCC(c2ncon2)CC1)N1CCOCC1 215981950 IOGDYMYLMJUAFX-UHFFFAOYSA-N 294.399 1.360 0 50 CDAA O=C1CC[C@@H](C(=O)N2CCC(CC(F)(F)F)CC2)CN1 336335310 ACXVSRGGWQRVAT-SNVBAGLBSA-N 292.301 1.704 0 50 CDAA Cc1cccc(CN2CCCC[C@H]2C(=O)NCC(=O)O)c1 376210700 NBVXFTOONWOZDL-AWEZNQCLSA-N 290.363 1.550 0 50 CDAA CCc1cc(-c2nccn2CCCc2nnn[nH]2)on1 72151644 RVDKOXLCGIQTAW-UHFFFAOYSA-N 273.300 1.246 0 50 CDAA Cc1ccc(Cl)cc1C(=O)N1CC[C@H](O)[C@@H](O)C1 72154910 OGBNOGQBSZWOGE-RYUDHWBXSA-N 269.728 1.216 0 50 CDAA O=C(c1nccn2ccnc12)N1CCC[C@H](n2ccnc2)C1 608361274 BBUOWQCILZOFLK-LBPRGKRZSA-N 296.334 1.403 0 50 CDAA Cc1nc(N)ncc1C(=O)NCc1nc2c(C)cccc2o1 219074459 JHLIUUQZMUQGND-UHFFFAOYSA-N 297.318 1.747 0 50 CDAA O=C(Cc1cn2ccsc2n1)N1CCSCC1 48600351 MRAXVHCHVKJZNN-UHFFFAOYSA-N 267.379 1.514 0 50 CDAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1ccon1 222724636 URVMRSNNQIWHRZ-ASEORRQLSA-N 276.336 1.998 0 50 CDAA COCc1cc(CNc2cc(C3CC(O)C3)ncn2)n[nH]1 222730049 UGPIQJYOLFCTDT-UHFFFAOYSA-N 289.339 1.197 0 50 CDAA CC(C)c1nccc(C(=O)NCCCN2CCCC2)n1 426487345 KUZLXJWUCBJKCB-UHFFFAOYSA-N 276.384 1.816 0 50 CDAA CN(C)[C@@H](C(=O)N1CC[C@@H](CN)C1)c1ccccc1 178551750 LDNNGYPSMAVLIK-GXTWGEPZSA-N 261.369 1.097 0 50 CDAA COc1ccc([C@H]2Cn3nnc(C(=O)O)c3CO2)cc1 85397338 XPHIEVNGSMIXGB-LLVKDONJSA-N 275.264 1.256 0 50 CDAA CN(C)C(=O)c1ccc(N(C)C[C@@H]2CCCN2C)nc1 420630111 DJBVFQCRCAWEGF-ZDUSSCGKSA-N 276.384 1.314 0 50 CDAA CCCN1CC[C@@H](CNC(=O)Cc2cc(C)no2)C1 220214681 BKFVBIHLVPPCKN-LBPRGKRZSA-N 265.357 1.374 0 50 CDAA O=C(N[C@@H]1CCCNC1=O)c1cc2c(Cl)cccc2[nH]1 426372309 PXEVWGFFGHUFCF-LLVKDONJSA-N 291.738 1.830 0 50 CDAA O=C(NCc1cn2cccnc2n1)c1cn2ccsc2n1 91663083 QWQJBLXRUDRLDO-UHFFFAOYSA-N 298.331 1.369 0 50 CDAA O=S1(=O)CC[C@H](N/C(O)=C2/N=NC3=C2CCCC3)C1 334159256 GBPQOGRANFJMOE-WYNUBKAASA-N 283.353 1.784 0 50 CDAA CCCC[C@H](CC)CNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@H]1O2 239439302 ZSKVQAPLQMBJCD-MQLXINIDSA-N 295.379 1.973 0 50 CDAA COc1ncc(F)cc1I 95495955 SDMSFJQETPGHSY-UHFFFAOYSA-N 253.014 1.834 0 50 CDAA Cc1nn(CC(=O)NCCNc2cccnc2)c(C)c1C 97173046 UTAVKKYXZNYHEA-UHFFFAOYSA-N 287.367 1.432 0 50 CDAA CC(C)n1cncc1CN1CC[C@H](CC(=O)O)C1 91274083 ZGNIVQRXGUVXNJ-LLVKDONJSA-N 251.330 1.761 0 50 CDAA O=S1(=O)CC[C@H](CNc2nnc(C3CCC3)o2)C1 95388931 NDWIVOBULWDMBK-MRVPVSSYSA-N 271.342 1.184 0 50 CDAA CS(=O)(=O)Cc1ccc(-c2ccc(CO)cc2)nc1 97553406 JRKPCTJGEGKXQU-UHFFFAOYSA-N 277.345 1.786 0 50 CDAA COCc1nnc(NC(=O)CN2CCCCCCC2)s1 244678867 ILONHQLAMHKXBZ-UHFFFAOYSA-N 298.412 1.889 0 50 CDAA O=C(NCCSC(F)(F)F)c1n[nH]c2c1COCC2 244899774 ZPVHSMZKVXLJLG-UHFFFAOYSA-N 295.286 1.465 0 50 CDAA Cn1c(O)ncc(CCN2CCCCCCC2)c1=O 253536495 GYGBIWULYHUEQA-UHFFFAOYSA-N 265.357 1.295 0 50 CDAA NCCN(Cc1ccccc1)C(=O)c1n[nH]c2c1CCCC2 184221119 KQNLVPRFVJKDOX-UHFFFAOYSA-N 298.390 1.890 0 50 CDAA CN(C)CC(C)(C)NC(=O)COC[C@H]1CCCCO1 534639232 RCDYUCMLEYDAJN-GFCCVEGCSA-N 272.389 1.029 0 50 CDAA CCc1ncc(S(=O)(=O)N[C@H](C)c2ncc(C)[nH]2)[nH]1 534576638 CTAQVEZKHBVOMY-MRVPVSSYSA-N 283.357 1.043 0 50 CDAA Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N)cc1 534676115 UKUHASCDHSDMTJ-FICVDOATSA-N 273.380 1.874 0 50 CDAA C[C@H](OCc1ccccc1)[C@@H](N)C(=O)Nc1cccnc1 638048234 PHGLEQHWKPHBKO-SWLSCSKDSA-N 285.347 1.953 0 50 CDAA CCNC(=O)N1CCC(CN)(C(F)(F)F)CC1 725264705 LENNQLLQFKFFPC-UHFFFAOYSA-N 253.268 1.319 0 50 CDAA Cc1cc(CNC(=O)/C=C/c2cnc(N(C)C)nc2)on1 828032367 RDDLVJLTXXVASU-SNAWJCMRSA-N 287.323 1.169 0 50 CDAA Cc1cc(CN(C)C(=O)CCc2cccn2C)no1 584894464 HVCKGGBFINGTOQ-UHFFFAOYSA-N 261.325 1.913 0 50 CDAA Cc1nc([C@@H]2N(O)[C@H]3CCCC[C@H]3N2O)n(O)c1C 584904338 NYILJOIRFIWSTH-IAZYJMLFSA-N 268.317 1.443 0 50 CDAA C[C@H](CNC(=O)N1CCc2n[nH]cc2C1)N1CCCCC1 584885134 PWQVZFNURALTSZ-GFCCVEGCSA-N 291.399 1.352 0 50 CDAA Cc1nc(C)c(C(=O)NCCCN2CCCC[C@@H]2CO)o1 828710819 KABLPCIIRWHFMZ-CYBMUJFWSA-N 295.383 1.258 0 50 CDAA N=c1[nH]nc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)s1 584903392 TUAUJCRFZCGQHW-VHSXEESVSA-N 274.349 1.371 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCCc1cn[nH]c1 584897290 HBXKTBOCOCNCBE-VIFPVBQESA-N 275.356 1.950 0 50 CDAA COCCc1noc([C@H](C)NC(=O)c2ccc[nH]2)n1 584902627 SUMHWPVTCZDLOH-QMMMGPOBSA-N 264.285 1.078 0 50 CDAA CCc1[nH]nc2c1CN(C(=O)C[C@H]1CCOC1)CC2 584884214 OEKZHCOXYJDZQO-SNVBAGLBSA-N 263.341 1.283 0 50 CDAA Cn1nc(C(=O)Nc2ccnnc2)c2c1CCCC2 1153538656 YKUXLXVJZLFRDD-UHFFFAOYSA-N 257.297 1.341 0 50 CDAA Cc1ocnc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 584893693 NVUGNSDRDQPXLY-LLVKDONJSA-N 287.323 1.172 0 50 CDAA CN(C)C[C@@]1(O)CCCN(C(=O)Nc2cccc(F)c2)C1 630093247 JLGJURUORSEDJA-HNNXBMFYSA-N 295.358 1.746 0 50 CDAA CCCNc1ncc(CN2CCc3nocc3C2)cn1 670434662 IUUTUECEGAFAFA-UHFFFAOYSA-N 273.340 1.845 0 50 CDAA C[C@@H](CCn1cccn1)NCC(C)(C)N1CCN(C)CC1 679385412 DIYYCXZNVKXLLW-HNNXBMFYSA-N 293.459 1.277 0 50 CDAA CN(CCc1nc2ccc(Cl)cc2[nH]1)S(C)(=O)=O 670435491 GNAYIHPEHMGZLA-UHFFFAOYSA-N 287.772 1.650 0 50 CDAA CCSC[C@@H](C)NC1CCN(S(C)(=O)=O)CC1 67770209 QQZVKYCKQVEGTC-SNVBAGLBSA-N 280.459 1.142 0 50 CDAA O=C(N1CCN(C2Cc3ccccc3C2)CC1)C12CC1C2 1875361986 KTHKOJGJIARLDI-UHFFFAOYSA-N 282.387 1.708 0 50 CDAA N=c1nc(N2CC[C@H]3CCC[C@@H]32)[nH]c(=Nc2ccccc2)[nH]1 1875321321 DIUOTYKVBFBWNA-YPMHNXCESA-N 296.378 1.828 0 50 CDAA COC1(OC)CCN(Cc2ccc(F)cc2)C[C@@H]1O 874434867 GPTXNINNRJHQHY-ZDUSSCGKSA-N 269.316 1.381 0 50 CDAA CC(=O)N1CC2(CCS(=O)(=O)CC2)[C@@H]1C(C)C 1875274709 SVFLRRLGPMHRFC-NSHDSACASA-N 259.371 1.068 0 50 CDAA O=S(=O)(c1ccc(CF)cc1)N1CC[C@]2(CCCN2)C1 1875284004 IRFJJVBOWAFKLR-CQSZACIVSA-N 298.383 1.673 0 50 CDAA O=C(O)C[C@H]1CCN(S(=O)(=O)C2CC2)C2(CC2)C1 1875281197 VCNHBNNSSMKRAT-SECBINFHSA-N 273.354 1.198 0 50 CDAA C[C@@H](CC(N)=O)N(C)C(=O)c1cc(F)cc(Cl)c1 952971264 NBRYUTFAWUCPHC-ZETCQYMHSA-N 272.707 1.815 0 50 CDAA CCOC[C@H]1CCCN1C(=O)CCCn1cncn1 952986592 IHZZMTPKNNVVHM-GFCCVEGCSA-N 266.345 1.086 0 50 CDAA O=C([C@@H]1CCCO[C@H]1c1cc[nH]n1)N1CCc2cnccc21 886039591 XAGYDCVIPZYQRF-IUODEOHRSA-N 298.346 1.862 0 50 CDAA CCN(CC)CCN1CCC[C@@](O)(Cc2nc(C)no2)C1 886080291 TWPDDIPZJMQSGN-OAHLLOKOSA-N 296.415 1.089 0 50 CDAA CC(C)(C)OC(=O)N1CCC(O)([C@H](N)C2CC2)CC1 958528805 VUHZGJOGXOBFSU-LLVKDONJSA-N 270.373 1.486 0 50 CDAA O=C1Cc2c(I)ccnc2N1 44700228 LFCYGWNRRRKZPL-UHFFFAOYSA-N 260.034 1.181 0 50 CDAA in-vitro C[C@H]1C[C@@H](CCNC(=O)N2C[C@H](F)[C@H](F)C2)CCO1 1775987815 PNINJBLLYXXMGY-FIQHERPVSA-N 276.327 1.893 0 50 CDAA Cn1nncc1C(F)(F)C(F)(F)Br 1775954919 XLNHOOPOCNXPPF-UHFFFAOYSA-N 262.004 1.895 0 50 CDAA Oc1ccc([C@@H]2CN(c3ncncc3Cl)CCN2)cc1 1412906680 RXUOZEWDQITXJC-ZDUSSCGKSA-N 290.754 1.987 0 50 CDAA CC[C@H](NS(=O)(=O)c1ccco1)[C@H](O)C(F)(F)F 275443285 HHOCMVLJHJQBLO-XPUUQOCRSA-N 287.259 1.260 0 50 CDAA Cn1nncc1CNCc1ccc2c(n1)CCCC2 277739093 PMGNETIQKSVIAN-UHFFFAOYSA-N 257.341 1.379 0 50 CDAA CCc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 170594090 RQNQSKXCEQIBAP-CYBMUJFWSA-N 281.377 1.508 0 50 CDAA CCNC(=O)CCN1C[C@@H](O)C[C@H]1c1cccc(OC)c1 281995366 CQFSXALBAMKOCA-ZFWWWQNUSA-N 292.379 1.329 0 50 CDAA Cc1noc(CN2CCO[C@H](C)[C@H]2c2nc(C)no2)n1 408045971 JNBDUMBZJBNESL-HQJQHLMTSA-N 279.300 1.031 0 50 CDAA Cn1ncc2c1C[C@H](C(=O)N[C@H]1CCCC1(F)F)CC2 672500820 OWRHMVWIMADXQY-SKDRFNHKSA-N 283.322 1.829 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C(=O)c1cc(C)oc1C 643945767 NRXYFQXNLILPCS-AWEZNQCLSA-N 280.324 1.003 0 50 CDAA CC(=O)N1CC(OCC(=O)N(C(C)C)C2CCCCC2)C1 644334925 YWUSCTNQGDGUHC-UHFFFAOYSA-N 296.411 1.803 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1ccc2ccncc2c1 652068920 TYEXCGMXWGDHDA-CYBMUJFWSA-N 270.288 1.924 0 50 CDAA CO[C@H](CC(=O)N1CCC[C@@H](C(=O)O)C1)C(F)(F)F 652050532 FNNDSBUYPYHLFA-HTQZYQBOSA-N 283.246 1.277 0 50 CDAA Cn1cc(C(=O)N=c2cc[nH]cc2)c(C2CCC2)n1 565996938 WAYHGXNCYRGQQN-UHFFFAOYSA-N 256.309 1.757 0 50 CDAA NCC12CCC(CC1)CN2Cc1ccc(C(N)=O)cc1 655944363 FGOGXSZGENODIY-UHFFFAOYSA-N 273.380 1.489 0 50 CDAA CCn1ncc(NC(=O)c2ccnc(OC)c2)c1C 1330932896 HDAQSTLBIFWPBH-UHFFFAOYSA-N 260.297 1.867 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)N2CCCNC(=O)C2)cc1 1506395385 HGJIOHPGNFZKGR-UHFFFAOYSA-N 289.379 1.534 0 50 CDAA COc1ccccc1[C@H](C)N(C)C(=O)CCn1cnnc1 1506420339 DAKAPWRGRILZHJ-LBPRGKRZSA-N 288.351 1.896 0 50 CDAA CC1(C(=O)NC[C@@H]2CCCN(c3cnsn3)C2)CC1 1506416620 FGNJOHFMRUVRME-JTQLQIEISA-N 280.397 1.671 0 50 CDAA Cc1cccc(C)c1NC(=O)c1cc(C(N)=O)no1 1857528394 QSTVSICFTLOWCB-UHFFFAOYSA-N 259.265 1.643 0 50 CDAA O=C(/C=C/c1ccco1)NC(=S)NCc1cccnc1 456422 NCDPPJMCGPKSHL-AATRIKPKSA-N 287.344 1.879 0 50 CDAA COc1nc2c(cc1CN)C(=O)N(C1CCCC1)C2 1800410616 XKJWWAILFZFDGH-UHFFFAOYSA-N 261.325 1.447 0 50 CDAA Cc1noc(C)c1[C@H](C)C(=O)N1CC[C@H](N)C[C@@H]1C 237504584 LHKGICDVGRIUMC-AUTRQRHGSA-N 265.357 1.733 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCC(F)(F)CC3)C[C@@H]21 1615000620 AELVSVCJIGOORJ-XWLWVQCSSA-N 258.312 1.618 0 50 CDAA Nc1ccn2ncc(C(=O)N3CC[C@@H]4[C@H](C3)C4(F)F)c2c1 1615555214 ZNQBUECDKUNZKM-MNOVXSKESA-N 292.289 1.644 0 50 CDAA Cn1cncc1C1CCN(C(=O)NCC2(C)COC2)CC1 1615614490 HSYGSEKGZZYIRW-UHFFFAOYSA-N 292.383 1.346 0 50 CDAA CN1Cc2nnc(C3CCOCC3)n2-c2ccccc2C1=O 1772814557 HGWXSDSINKPNOF-UHFFFAOYSA-N 298.346 1.747 0 50 CDAA CCOC(=O)C1CCN(c2cn[nH]c(=O)c2Cl)CC1 12336589 ASEIXNPBKUKQDV-UHFFFAOYSA-N 285.731 1.203 0 50 CDAA Cc1ccccc1Cn1cc(C(=O)N2CCOCC2)nn1 12583715 ZTRSCKYUBHIBNT-UHFFFAOYSA-N 286.335 1.107 0 50 CDAA O=c1ccn(CCc2nc(C3CCCCC3)no2)c(=O)[nH]1 19770458 SYMMUWGWMHDMGO-UHFFFAOYSA-N 290.323 1.210 0 50 CDAA COc1cnc(C)cc1C(=O)N[C@@H](C)c1ncc(C)[nH]1 1857667036 JTFIBHGOJDSUBC-JTQLQIEISA-N 274.324 1.921 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CCC[C@H]([C@@H](C)N)C1 236825441 RZJKPLNOWLEKME-KGLIPLIRSA-N 292.427 1.982 0 50 CDAA CC[C@]1(C(=O)NCc2cccc(-n3cncn3)c2)CCCN1 225612663 TYFPZSWLUQOPQC-MRXNPFEDSA-N 299.378 1.416 0 50 CDAA C[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H](CCO)C1 229302537 QQZVQCZLVQURQO-CABCVRRESA-N 297.443 1.665 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)C1=COCCC1 328643314 YSWZKWUAVILXPW-GFCCVEGCSA-N 275.352 1.598 0 50 CDAA N[C@@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 237929394 KMNVCGFAUQRIGG-GFCCVEGCSA-N 284.319 1.442 0 50 CDAA C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(C(N)=O)cc1 334671312 QRJSGRQHIJMDLI-ZWNOBZJWSA-N 276.336 1.019 0 50 CDAA Cc1ccn2cc(C(=O)N3C[C@@H](F)C[C@H]3CO)nc2c1 335034068 NFWKTWJFYDHVRS-QWRGUYRKSA-N 277.299 1.188 0 50 CDAA CC(=O)OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1O 242688549 VSGFDXSAMDSNKW-LSDHHAIUSA-N 263.337 1.433 0 50 CDAA in-vitro COc1cccc(C2(C(=O)N=c3cc[nH][nH]3)CC2)c1 351595745 GMOWSEDMWPMULO-UHFFFAOYSA-N 257.293 1.511 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)c3ccc4c(c3)CCNCC4)C[C@H]12 353745547 XWYHTXYRNMGFMC-YESZJQIVSA-N 299.418 1.184 0 50 CDAA CN1C(=O)COc2cc(NC(=O)C3CC=CC3)ccc21 252483246 DXYKHSFXMNQYKP-UHFFFAOYSA-N 272.304 1.947 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 261805363 WETNABLWEHCQBA-LLVKDONJSA-N 260.341 1.178 0 50 CDAA CN(CCCO)C[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 585116774 IBPGZIUCJKBOCN-CYBMUJFWSA-N 298.770 1.979 0 50 CDAA COCCOC[C@H]1CCN(C(=O)c2cccc(C)n2)C1 266371749 IWXOHOHWMGDXKG-ZDUSSCGKSA-N 278.352 1.515 0 50 CDAA CCn1cnnc1CCN[C@@H]1CCOC12CCCC2 903122181 WVXADCWCTBRRCF-GFCCVEGCSA-N 264.373 1.532 0 50 CDAA Cc1ccn2ncc(C(=O)N(CC(=O)O)C3CC3)c2c1 908892817 LGVZDMXEVUDNFY-UHFFFAOYSA-N 273.292 1.332 0 50 CDAA Cc1ccc(C2=NO[C@@H](C(=O)N[C@H]3CCC[C@@H]3O)C2)cc1 913720725 LPHLANYZCQKJHQ-AEGPPILISA-N 288.347 1.518 0 50 CDAA CCc1cnc(N)nc1NCc1nnc2ccccn12 1772705182 LIJSDVIJTCRWHO-UHFFFAOYSA-N 269.312 1.276 0 50 CDAA CC(C)c1nnc(CN2CCC[C@H]2c2nc[nH]n2)n1C 931135818 JYYJPFCLKAGSQC-JTQLQIEISA-N 275.360 1.394 0 50 CDAA CO[C@@H](C(=O)NCc1nocc1C)c1ccccc1 1123908986 VGBLZOLQZJKLET-CYBMUJFWSA-N 260.293 1.987 0 50 CDAA Cn1cncc1CNC(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21 852344652 WHSASJJXRIBMQL-GVXVVHGQSA-N 262.357 1.656 0 50 CDAA CN(CC1CCOCC1)C(=O)c1ccc(C(=O)O)nc1 111181883 KYVASUSPVUHUSH-UHFFFAOYSA-N 278.308 1.278 0 50 CDAA O=C(N[C@@]1(C(=O)O)CCSC1)c1ccc2cc[nH]c2c1 111288200 XXFYLPNDLMCDKK-AWEZNQCLSA-N 290.344 1.858 0 50 CDAA COc1cc(CN2CCCN(C)CC2)cc(OC)c1O 22027587 YQEJHYJKQGHPIO-UHFFFAOYSA-N 280.368 1.547 0 50 CDAA Cc1ccccc1NC(=O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 169296886 STNGDXRUDBYFGE-LPWJVIDDSA-N 275.304 1.812 0 50 CDAA COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]2COCC[C@@H]21 408069461 BNLALBUQPSQRKM-RVMXOQNASA-N 281.352 1.213 0 50 CDAA COc1ccc(C(=O)N2CCO[C@@H]([C@H](C)O)C2)c(F)c1 331338351 JJEQRCDSDIRYAJ-TVQRCGJNSA-N 283.299 1.056 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)NCc2ccc(C(=O)O)cc2)C1 656475253 QBUVDOSKZKBGGX-QWHCGFSZSA-N 277.320 1.816 0 50 CDAA Cc1cc(=N[C@H]2CCOC[C@@H]2O)c2ccccc2[nH]1 706770865 WJGHWZMMJRFYSN-ZFWWWQNUSA-N 258.321 1.527 0 50 CDAA Cc1cc(CNC[C@@H](O)c2ccccc2F)n(C)n1 688932708 DUQLLGKPUUYUNN-CQSZACIVSA-N 263.316 1.691 0 50 CDAA Cc1cc(NC(=O)c2cccn3cnnc23)c(O)nc1C 2100477978 PQQUBYBJURILCB-UHFFFAOYSA-N 283.291 1.699 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)N1CCc2n[nH]c(C)c2C1 2100534674 SYBCRXQBLJARRN-LLVKDONJSA-N 282.413 1.072 0 50 CDAA CN1C[C@H](c2nnc3n2Cc2ccccc2CC3)CC1=O 2100557360 ZZZSDVCGYKABDB-CYBMUJFWSA-N 282.347 1.371 0 50 CDAA CN(Cc1cnn(C)c1)C1=NC[C@H](c2ccccc2)N1 2325771418 OMWSDOBYRYUQTO-CQSZACIVSA-N 269.352 1.552 0 50 CDAA Cc1nc2cccnc2nc1N(C)Cc1ncc[nH]1 2325868808 LTJAWJBWGIEOQP-UHFFFAOYSA-N 254.297 1.693 0 50 CDAA C[C@H](O)Cc1nccn1Cc1cccc(C(=O)O)c1 2325880207 YLDYTYPLINBXCH-JTQLQIEISA-N 260.293 1.553 0 50 CDAA C[C@H]1CN(c2ccccc2Br)NC1=O 192596 NITIMGXZPKTDMX-ZETCQYMHSA-N 255.115 1.936 0 50 CDAA O=c1cc(Nc2cccc(Br)c2)[nH]c(=O)[nH]1 322347 CFLHCISOVMSSHJ-UHFFFAOYSA-N 282.097 1.569 0 50 CDAA in-vivo COC[C@@H](C)NC(=O)c1ccc(OC)cc1OC 455708 OPISJGBYYADOQH-SECBINFHSA-N 253.298 1.469 0 50 CDAA COCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)OC 1532071 ZQEIXNIJLIKNTD-GFCCVEGCSA-N 279.336 1.844 0 50 CDAA endogenous,in-man COc1ccc(NC(=O)C(=O)NC(C)C)c(OC)c1 2825827 RKPAASRUGGJETD-UHFFFAOYSA-N 266.297 1.167 0 50 CDAA Cc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 3174304 NCZWLIXTMOVGHZ-NSHDSACASA-N 268.338 1.304 0 50 CDAA COc1cccc(/C=C2/SC(=N)NC2=O)c1O 4743074 SDQGQQHZHFJTTJ-VMPITWQZSA-N 250.279 1.539 0 50 CDAA CC(C)COC[C@@H]1C[C@@]2(C[C@@H](C)C(=O)CC2=O)C(=O)O1 7999277 APRSGORHRBTTNJ-JRPNMDOOSA-N 282.336 1.529 0 50 CDAA Cc1csc([C@@H](NC(=O)c2cnnn2C)C2CC2)n1 282086439 APLSSFJHFMNMFD-JTQLQIEISA-N 277.353 1.461 0 50 CDAA CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 9875403 HKCMBDABENUXKJ-UHFFFAOYSA-N 253.733 1.801 0 50 CDAA O=C(COC1CCNCC1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 251465390 VFJNWZDZCFZWHW-CSOUEMRRSA-N 292.423 1.696 0 50 CDAA COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100316503 GGMSSPURHGBVSD-AUZPSNTRSA-N 297.310 1.785 0 50 CDAA O[C@H](CN1CCC[C@H]1Cn1cncn1)c1ccc(F)cc1 247804006 XRHPDPBYXRTUDV-LSDHHAIUSA-N 290.342 1.615 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(O)cc1 100301316 XOTYSWSIKRFMRI-WTTBSCSTSA-N 255.273 1.704 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(O)cc1)[C@H]1C=C[C@H]2C1 100301319 XOTYSWSIKRFMRI-VDUILEQBSA-N 255.273 1.704 0 50 CDAA CC[C@@H](CO)N(Cc1cccnc1)Cc1ccc(CO)o1 55133949 MQVYVQCANVRRAK-AWEZNQCLSA-N 290.363 1.940 0 50 CDAA CCN(CCOC)[C@@H](C(=O)O)c1cc(F)ccc1OC 55341695 UBAKFTDDMWHFOG-CYBMUJFWSA-N 285.315 1.928 0 50 CDAA C[C@@H](c1n[nH]c(=O)n1-c1ccc(F)cc1F)n1cccn1 65404349 RFDBOVKECYNPBD-QMMMGPOBSA-N 291.261 1.645 0 50 CDAA Nc1ncc(I)cc1Cl 20134707 PRCUFMMWUXRBQD-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA Cn1c(CCCN[C@@H]2CCOC2)nc2ccccc21 176498949 RHXWEBRTDHXSOO-GFCCVEGCSA-N 259.353 1.884 0 50 CDAA O=C(CN1CCCS1(=O)=O)OC1CCCCCC1 121071036 VHCNCPGPOKDRJI-UHFFFAOYSA-N 275.370 1.288 0 50 CDAA CCS(=O)(=O)C[C@H](C)N[C@H]1CCOC(C)(C)C1 121111655 FOZGRJUCJMBOEJ-QWRGUYRKSA-N 263.403 1.357 0 50 CDAA COCCc1nsc(N(C)Cc2cc[nH]n2)n1 426899848 ZKDSMBOTFCGVAO-UHFFFAOYSA-N 253.331 1.087 0 50 CDAA Cc1c([C@@H](C)NC(=O)OC[C@H]2CCCO2)cnn1C 253415556 GNWZIQGWTICHRO-MWLCHTKSSA-N 267.329 1.695 0 50 CDAA CCOc1nc2cc(C(=O)NCc3ccnn3C)ccc2[nH]1 253411651 RYSXBTNPVMTIOR-UHFFFAOYSA-N 299.334 1.625 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)O)cc1C 32498304 JSSODTJOZAYUEM-LLVKDONJSA-N 257.355 1.271 0 50 CDAA O=C(c1cccnc1S)N1CCO[C@@H]([C@H]2CCCO2)C1 151821974 IUCLYVJDQGJEFL-VXGBXAGGSA-N 294.376 1.390 0 50 CDAA CCC[C@@H](CC)[S@](=O)CCCS(=O)(=O)N(C)C 359404139 FKKHPPJZQBGUMX-BDJLRTHQSA-N 283.459 1.595 0 50 CDAA COCc1cc(C(=O)N2C[C@H](C)N[C@H](C)C2)ccc1F 153291483 HREOTJNQQADBCA-PHIMTYICSA-N 280.343 1.795 0 50 CDAA COc1cc(CCC(=O)N2CCNC[C@@H]2C)cc(OC)c1 125809796 UXEPACJBQMVZEF-LBPRGKRZSA-N 292.379 1.457 0 50 CDAA Cn1ncc2c1C[C@@H](c1nc(-c3ncc[nH]3)no1)CC2 375726535 IZAJFEAXTLSWHA-QMMMGPOBSA-N 270.296 1.466 0 50 CDAA CC(C)CC(C)(C)C(=O)N1CCN([C@H]2CCNC2)CC1 377535799 MJNLTXLIINWPOB-AWEZNQCLSA-N 281.444 1.565 0 50 CDAA O=C(Cc1cc[nH]n1)N1CC[C@H](C2CCOCC2)C1 334405083 PUNXCLAASRXJNY-LBPRGKRZSA-N 263.341 1.227 0 50 CDAA COC[C@@H]1CN(C(=O)c2ncccc2C)CC(C)(C)O1 285575583 SIANZMUJBRILMN-LBPRGKRZSA-N 278.352 1.656 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1ccc2c(c1)CCC2 286652271 CSSSKGXLRMKKTQ-KGLIPLIRSA-N 290.338 1.142 0 50 CDAA COCc1nc2cc(N[C@@H]3CCN(C)C3=O)ccc2o1 175915115 KIVHGNJZJQKJIP-SNVBAGLBSA-N 275.308 1.617 0 50 CDAA CC(C)c1nncn1CCNC(=O)[C@@H]1C[C@@H]1C1CC1 176110768 CYCBWMJOPHCBBR-VXGBXAGGSA-N 262.357 1.564 0 50 CDAA CCOCCC(=O)N1CCC[C@@H](Cn2ccnc2)C1 221219166 BMMJABQMBGTAII-ZDUSSCGKSA-N 265.357 1.548 0 50 CDAA CC1CCN([C@H](C)CNC(=O)c2cn(C)cn2)CC1 178223238 YUECQEGVTKODSQ-GFCCVEGCSA-N 264.373 1.270 0 50 CDAA Cc1cnc(C)c(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)n1 426361154 KIMLIICAXXYCLV-OAHLLOKOSA-N 297.358 1.967 0 50 CDAA O=C(CCCc1c(F)cccc1F)N1CCOCCN1 615483960 RPYGEPJYFMQPLQ-UHFFFAOYSA-N 284.306 1.651 0 50 CDAA CNC(=O)c1nnc(-c2ccc([C@@H](C)N3CCCC3)cc2)[nH]1 426405139 MODHALUUMDCWPA-LLVKDONJSA-N 299.378 1.988 0 50 CDAA Cc1[nH]nc(C(=O)N2CCCC[C@H]2C(=O)O)c1Cl 426562835 FWIOHHSKZSZIJT-ZETCQYMHSA-N 271.704 1.451 0 50 CDAA CC(C)n1ccc(C(=O)NCc2nc(C3CC3)no2)n1 426371225 YSJWICXSTKVSPH-UHFFFAOYSA-N 275.312 1.654 0 50 CDAA CC(C)(C)OC(=O)CCOCCOCCC(=O)O 222188410 FVMOAKLTZMCDOV-UHFFFAOYSA-N 262.302 1.226 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)NCCn2cccc2)CC1=O 91792998 NMOKDNRGNWLLJU-GFCCVEGCSA-N 277.368 1.251 0 50 CDAA Cc1nc(CN2C[C@H](C3CC3)[C@@H](N)C2)c(C)s1 91934969 ZXZZLCLGRSLSGD-NEPJUHHUSA-N 251.399 1.929 0 50 CDAA COCC[C@@]1(CO)CCCN(C(=O)c2cc[nH]c2)C1 91439819 CXWJBSRZNLDVDU-AWEZNQCLSA-N 266.341 1.266 0 50 CDAA CC(C)(C)OC(=O)Nc1nnc(CC(=O)O)s1 97743302 DHNSMFXWJCTXBY-UHFFFAOYSA-N 259.287 1.512 0 50 CDAA O=S(=O)(NC[C@H]1COc2ccccc2C1)N1CCCC1 91381069 DUZOWIOQMYTDEJ-LBPRGKRZSA-N 296.392 1.168 0 50 CDAA CC(C)c1ccnc(NC[C@@H](C)N2CCN(C)CC2)n1 95390685 DGFMYOUHZOLGCK-CYBMUJFWSA-N 277.416 1.648 0 50 CDAA c1cnnc(-c2noc(CSCCN3CCCC3)n2)c1 95497080 PBBLJRXTIJCNLL-UHFFFAOYSA-N 291.380 1.856 0 50 CDAA c1cc2c(cc1-c1nc([C@@H]3CCOC3)no1)OCO2 96151775 ZVLBYFYBIIEJOR-SECBINFHSA-N 260.249 1.969 0 50 CDAA Cc1nc2ncnn2c(O)c1NC(=O)c1ccccc1 334163299 NRRQXGABVHBEAV-UHFFFAOYSA-N 269.264 1.391 0 50 CDAA COC[C@@H](NCc1csc(NC(C)=O)n1)C1CC1 181565779 QNGCKHCVHAVIIU-LLVKDONJSA-N 269.370 1.616 0 50 CDAA O=C(NCc1csc(N2CCCC2)n1)[C@@H]1CCCCO1 97776033 DPELPSNNUSJDSY-LBPRGKRZSA-N 295.408 1.929 0 50 CDAA CCc1nc(CN2CC(N3CCCC[C@@H]3C)C2)n[nH]1 244778771 PWJLCPWBPNBUEJ-NSHDSACASA-N 263.389 1.426 0 50 CDAA CCCCC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 244601833 DSKZMULMYNCUIZ-XYPYZODXSA-N 292.383 1.658 0 50 CDAA CCn1cnc2c(N[C@@H](C)C(=O)NC(C)(C)C)ncnc21 299544706 AVHXIIWFGHYYEC-VIFPVBQESA-N 290.371 1.561 0 50 CDAA O=C(NCC1CCCCC1)N1C[C@@H]2CC[C@H]1CNC2 534575280 BWXKKHIDNPFJBP-KGLIPLIRSA-N 265.401 1.960 0 50 CDAA CN[C@H](C)CNC(=O)c1cc(Br)ccc1O 262834361 SBLILVQDUVCZEH-SSDOTTSWSA-N 287.157 1.492 0 50 CDAA CCc1ocnc1C(=O)NCCc1cn2ccccc2n1 265676336 AQKYGBXSMBWXMG-UHFFFAOYSA-N 284.319 1.857 0 50 CDAA CN(C)CCC1CCN(C(=O)C[C@H]2CCOC2)CC1 351974376 HJEHLTZKUKIIKX-CQSZACIVSA-N 268.401 1.603 0 50 CDAA O=C(NC[C@H]1CCOC1)c1ccc(-n2cnnc2)cc1 263732107 YQUYOEDGGVEORQ-LLVKDONJSA-N 272.308 1.034 0 50 CDAA C[C@H](CN1CCCCCC1)NCCn1ccnn1 534652371 VHYSUQBWCZETPI-CYBMUJFWSA-N 251.378 1.132 0 50 CDAA Cc1nnc(CN(C)CCc2c(C)n[nH]c2C)s1 299793612 JSXRZXGKTYOMMY-UHFFFAOYSA-N 265.386 1.861 0 50 CDAA CC(C)c1cc(CN(C)C(=O)c2cn(C)cn2)on1 299778811 OKUCIYXNAHHNDD-UHFFFAOYSA-N 262.313 1.804 0 50 CDAA Clc1cnc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc1 299788420 RVUUUWATOTUEIY-QWRGUYRKSA-N 292.730 1.072 0 50 CDAA O=C(O)CCNC(=O)CCCC(=O)OCc1ccccc1 575436642 MVSYZNFJFGIHEO-UHFFFAOYSA-N 293.319 1.491 0 50 CDAA COCC1(CNC(=O)c2cnc(SC)nc2)CCC1 824346870 IIKSFCSCFSWDLJ-UHFFFAOYSA-N 281.381 1.745 0 50 CDAA Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](O)C2 828635995 MILANXRNHQIJHO-LLVKDONJSA-N 277.368 1.286 0 50 CDAA COc1c(F)ccc(C(=O)N[C@H]2COC[C@@H]2OC)c1F 824506332 BOOOTEXRECXHDX-UWVGGRQHSA-N 287.262 1.117 0 50 CDAA CCc1noc(CN(C)[C@@H](C)CCn2cccn2)n1 823569264 BFZWJANGFHHYQR-NSHDSACASA-N 263.345 1.739 0 50 CDAA c1cnc(-n2cncn2)c(CN[C@@H]2CCSC2)c1 584894067 GDNKJZUPUDRGFO-LLVKDONJSA-N 261.354 1.257 0 50 CDAA CCOC(=O)N1CC[C@H](NCCCn2ccccc2=O)C1 670461663 VQAPRTWOVLUIBD-ZDUSSCGKSA-N 293.367 1.059 0 50 CDAA OCc1ccc2c(c1)CN(CC[C@H]1CCOC1)CCO2 670450045 FWOQKXBZLPYFSQ-ZDUSSCGKSA-N 277.364 1.800 0 50 CDAA C[C@@H](N=c1cc[nH]c2ccccc12)[C@H]1CN(C)CCN1C 1875275721 APIYSHHMMSAIEQ-CXAGYDPISA-N 284.407 1.703 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(C)CC3(O)CC3)n[nH]c21 1875396673 QMSVJVBKJKLBDW-BDAKNGLRSA-N 279.340 1.029 0 50 CDAA C[C@@]1(C(=O)N[C@@H](Cc2ccccc2O)C(=O)O)CC1(F)F 1875393842 MXAOKRRHVBFWNW-ZANVPECISA-N 299.273 1.549 0 50 CDAA CC[C@@H](NC(=O)[C@@H](O)C(C)(C)N)c1cccc2cc[nH]c12 1875319455 CYJWZWLJHOQCAV-TZMCWYRMSA-N 289.379 1.833 0 50 CDAA Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@]34OCC[C@@H]3C[C@@H]24)c1O 1875370584 UWGLHTVOHMONKI-RSQPEXBXSA-N 291.351 1.501 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)Cn1ccc(=O)cc1 952991482 SKFCELNEGUGUQZ-CQSZACIVSA-N 278.352 1.266 0 50 CDAA Cc1ccc(CNC(=O)Cc2nc(C3CC3)nn2C)n1C 1776006704 ZIIOKWSFIDUGDR-UHFFFAOYSA-N 287.367 1.198 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N[C@H](CC(=O)O)c2ccccc2)O1 246812343 AQGUKPOQXXNGBF-RTXFEEFZSA-N 277.320 1.886 0 50 CDAA C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@H]1CCNC1 168826986 OHCFKCGIPUGXCX-ZBFHGGJFSA-N 287.407 1.329 0 50 CDAA CNC(=O)c1ccc(NC(=O)[C@H]2CCCO[C@H]2C)nc1 276919708 RQHXKMPSIFKKJP-ONGXEEELSA-N 277.324 1.195 0 50 CDAA C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccn1)n1cncn1 170593474 QHIVHEOFBCDFND-ZETCQYMHSA-N 285.229 1.892 0 50 CDAA CN(Cc1nccn1C)C(=O)c1ccnc(C2CC2)n1 601710991 PCLVKZSFVLNKIB-UHFFFAOYSA-N 271.324 1.360 0 50 CDAA CC[C@@H]1CN(C(=O)Cc2ncccc2F)CCCO1 281475589 GNIDTZRXGSRKDV-LLVKDONJSA-N 266.316 1.791 0 50 CDAA CNCCN(C)C(=O)c1ccc(F)c(Br)c1 219040062 AYJDHPOLJBDMJF-UHFFFAOYSA-N 289.148 1.880 0 50 CDAA CC(C)CS(=O)(=O)NC(=O)c1cnn2c1C[C@@H](C)CC2 408502913 UNNKAOQRXMDUAK-JTQLQIEISA-N 299.396 1.181 0 50 CDAA CO[C@@H](C)CCOC(=O)Cc1ccc([S@@](C)=O)cc1 225528360 HVUUXRAKEZLWOU-JEOXALJRSA-N 284.377 1.935 0 50 CDAA COCc1ncc2c(n1)CCN(C[C@H]1CC(C)(C)CO1)C2 639912627 GUIDYPZXKBZSBZ-CYBMUJFWSA-N 291.395 1.796 0 50 CDAA Fc1cncc(-c2cn(C[C@@H]3CCCOC3)nn2)c1 640959710 JMWGIQKGTAUQPA-JTQLQIEISA-N 262.288 1.906 0 50 CDAA CC(=O)NC[C@@H]1CN(C[C@@H]2C(C)=CCC[C@@H]2C)CCO1 191073467 NECLUUSXMKWBHS-NUEKZKHPSA-N 280.412 1.816 0 50 CDAA CN(C)C(=O)CCCn1cc(C(F)(F)F)ccc1=O 191387110 WAXKZCQFNYOJML-UHFFFAOYSA-N 276.258 1.736 0 50 CDAA C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC[C@@H](C)C1 649072628 GDTKSNKMAHQYAL-FRRDWIJNSA-N 281.400 1.001 0 50 CDAA C[C@H]1C[C@H]1c1noc(-c2cc(O)nc3ncn(C)c23)n1 564470861 QCVKJJFHIKIRCO-NKWVEPMBSA-N 271.280 1.847 0 50 CDAA C[C@H](NC(=O)N[C@H](CCO)C(C)(C)C)[C@@H]1CCOC1 195569701 ICHSMLWNSKOPKA-QJPTWQEYSA-N 272.389 1.508 0 50 CDAA CC[C@H](C)C[C@@H]1NC(=O)N([C@H](C)Cn2cccn2)C1=O 570803392 QMTNOTXIMMKWMS-TUAOUCFPSA-N 278.356 1.628 0 50 CDAA Cc1nc(CC(=O)N2Cc3ccccc3C[C@@H]2C)n[nH]1 669186646 DQOVTBONNPYIBX-JTQLQIEISA-N 270.336 1.629 0 50 CDAA COc1cccc(CN(C)C(=O)c2n[nH]cc2C)c1 669593387 RDIOWACXXLVHCG-UHFFFAOYSA-N 259.309 1.999 0 50 CDAA Cn1cc([C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cn1 583213181 ZTGYJVWRLPFKHG-CYBMUJFWSA-N 290.411 1.468 0 50 CDAA Cc1noc([C@@H]2CN(C/C=C/C3CC3)CCN2C)n1 583651158 IGKSRPQMEPBBRX-OOPCZODUSA-N 262.357 1.633 0 50 CDAA CCn1cc(CC(=O)N2CCc3ccccc3[C@@H]2CO)cn1 585080961 JFGJMKUTRCLVNO-INIZCTEOSA-N 299.374 1.564 0 50 CDAA CCC1(CNS(=O)(=O)c2ccc(F)nc2F)CC1 585114978 HQMYHMVBGSUOCX-UHFFFAOYSA-N 276.308 1.828 0 50 CDAA Nc1cc(N2CCC(Oc3ccncc3)CC2)ncn1 1506395564 KUTCXEDRTNEEGT-UHFFFAOYSA-N 271.324 1.502 0 50 CDAA CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2cnn[nH]2)cc1 1506399007 VQEXQXFKNVHSJV-OAHLLOKOSA-N 299.378 1.844 0 50 CDAA CCc1nccn1C[C@H](C)NCCC(=O)N1CCCC1 1506412756 OCWVQANVFLOWJN-ZDUSSCGKSA-N 278.400 1.436 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(c1nccc(N)n1)C2 1704303073 IMWOXJLBFQRIMP-RISCZKNCSA-N 262.357 1.844 0 50 CDAA Cc1noc(C)c1CN1C[C@@H]2COC[C@H](C1)N(C)C2 1704312274 OAHRWUPKSYGQIM-OLZOCXBDSA-N 265.357 1.054 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2ccncc2C)CC[C@@H]1O 1704308054 FKEIQEXHAVRNQK-KWCYVHTRSA-N 278.352 1.182 0 50 CDAA Cc1noc(CCN=c2c(F)c[nH]cc2Cl)n1 1857530342 PEIAVOHDAHOFAU-UHFFFAOYSA-N 256.668 1.642 0 50 CDAA Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CN)c1Cl 237721441 RVCHVQUHGUOCNF-SNVBAGLBSA-N 288.800 1.760 0 50 CDAA CCCN(CC1CC1)C(=O)[C@H](NC(N)=O)C(C)(C)C 241213410 KOPVHXGMVVEISA-NSHDSACASA-N 269.389 1.718 0 50 CDAA O=S(=O)(NCCc1cnoc1)[C@H]1C[C@@H]1c1ccccc1 1615605705 AMGCNZVFBFIKTL-KGLIPLIRSA-N 292.360 1.693 0 50 CDAA COc1ccc(CN2CCC(N)CC2)cc1OC 11729473 SFGKHXRAIWBGPR-UHFFFAOYSA-N 250.342 1.627 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1C 169304155 FTYPOSAFKRXDOQ-SYQHCUMBSA-N 287.315 1.896 0 50 CDAA Cc1cc(C)n2nc(C(=O)NC[C@@H]3CC3(F)F)cc2n1 1857682228 GXQNHXVZRPTSRF-VIFPVBQESA-N 280.278 1.731 0 50 CDAA CN1CCC[C@@H]1C(=O)NCCC[C@@H]1CCCC[C@H]1O 252515170 HSRYAQWTUWNIRM-BFHYXJOUSA-N 268.401 1.528 0 50 CDAA CN1CCN(c2ccc(-c3cccnc3N(C)C)nn2)CC1 1875245940 GHLZXSXKZJSNKJ-UHFFFAOYSA-N 298.394 1.356 0 50 CDAA CC(C)C[C@@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCO1 332835884 WSXQBWKGCYDCLQ-BFHYXJOUSA-N 284.400 1.027 0 50 CDAA N[C@H]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 238052912 FRTGIECUKWOZDU-UWVGGRQHSA-N 289.335 1.474 0 50 CDAA CN(CC1CCCCC1)C(=O)[C@@H]1CCc2nnn(C)c2C1 335163028 UTTTXVNRNHQPBD-CYBMUJFWSA-N 290.411 1.959 0 50 CDAA Cc1cccc2c(=O)n(C[C@]3(O)CCCOC3)cnc12 656696657 IXXBNUPHMUIFQE-OAHLLOKOSA-N 274.320 1.246 0 50 CDAA COc1cc(Cl)cc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1 560431634 WQKCDRYFYYSSIF-NOZJJQNGSA-N 299.754 1.164 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCn1cccn1 252339134 QYGVLGOHNSCOKR-XQQFMLRXSA-N 291.351 1.518 0 50 CDAA Cc1cc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)no1 579133319 KOCDSTPBIKMWIB-TVQRCGJNSA-N 278.283 1.974 0 50 CDAA CCOc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)c1 585121922 GHQFWKTVQWXFEP-CJNGLKHVSA-N 292.379 1.157 0 50 CDAA Cc1nsc(N2CCN(C(=O)c3occc3C)CC2)n1 266130955 YYUALOCDVLLJPK-UHFFFAOYSA-N 292.364 1.710 0 50 CDAA COC[C@H](N)Cc1cn(Cc2coc(C(C)(C)C)n2)nn1 900593731 UORYLCYWFWYUMF-SNVBAGLBSA-N 293.371 1.128 0 50 CDAA CC(C)NC(=O)CNC(=O)c1ccnc(-c2ccco2)c1 929414179 ZSKJEBIAZCNMSF-UHFFFAOYSA-N 287.319 1.596 0 50 CDAA Cc1c[nH]ccc1=NC(=O)NC[C@H]1CCCN1CC(F)F 930621428 NBPFFBBDWFYWPW-LLVKDONJSA-N 298.337 1.663 0 50 CDAA COc1cc(CN2CCC[C@H]2c2nc[nH]n2)ccn1 931141129 PFORQJBDAGSAHO-NSHDSACASA-N 259.313 1.545 0 50 CDAA O[C@H](CN1CCCC1)CN1CCC(c2ncco2)CC1 931451056 HSTYCFRCVWVZRS-CQSZACIVSA-N 279.384 1.311 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)OC(C)(C)C1 1857778286 VBYMZOLQXQXBBD-BDAKNGLRSA-N 273.329 1.922 0 50 CDAA COCC(=O)N1CCC[C@@H](N(C)Cc2ccccc2)C1 12592586 ZTSDVUHYKCKLKY-OAHLLOKOSA-N 276.380 1.756 0 50 CDAA COc1ccc(CN2CC[C@@H](O)CC(C)(C)C2)nn1 296010036 LEVWMHAGWCMSKE-GFCCVEGCSA-N 265.357 1.468 0 50 CDAA O=C(NCC1(CO)CCC1)c1ccncc1C(F)(F)F 193132238 RAXYSQLGUIZDQZ-UHFFFAOYSA-N 288.269 1.993 0 50 CDAA O=C(NCC1(O)CCC(F)(F)CC1)[C@@H]1CCCS1 620324526 XMABLHVBQKIGRP-VIFPVBQESA-N 279.352 1.939 0 50 CDAA Oc1cc(CN2CCCc3ccccc3C2)nc(O)n1 2100483534 CBYJPMVRHQVUHY-UHFFFAOYSA-N 271.320 1.836 0 50 CDAA COCCNC(=O)c1cc(Br)cc2nn[nH]c12 2325699986 QWAAOBXWESXEJF-UHFFFAOYSA-N 299.128 1.097 0 50 CDAA CC[C@H]1CC[C@H](C(=O)O)N(S(=O)(=O)N(CC)CC)C1 2325798966 LOWZRBNPCJKJIB-WDEREUQCSA-N 292.401 1.148 0 50 CDAA Cn1cc(-c2ccc3c(c2)NCCOC3)ccc1=O 2325802022 BOXNJOLEFUCREB-UHFFFAOYSA-N 256.305 1.994 0 50 CDAA O=c1nc(-c2cccc(O)n2)[nH]c2ccc(O)cc12 2325887093 UJUVEDCYHVLCLD-UHFFFAOYSA-N 255.233 1.396 0 50 CDAA O=C(NCNC(=O)c1ccccc1)c1ccccc1 242424 IOSFAIUBCYDISE-UHFFFAOYSA-N 254.289 1.804 0 50 CDAA CCN1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=S 264255 VUFCMELDZVQPGC-LBPRGKRZSA-N 273.361 1.816 0 50 CDAA biogenic Cc1nnc(NC(=O)c2ccccc2C(=O)O)s1 321508 AILXATVODZROSB-UHFFFAOYSA-N 263.278 1.797 0 50 CDAA COC(CNC(=S)Nc1ccc(C)cc1)OC 452702 FUKJHKBVYQMCCM-UHFFFAOYSA-N 254.355 1.900 0 50 CDAA CCn1nnc(NC(=O)COc2cccc(C)c2C)n1 557629 QFSHBUSXNLHDLZ-UHFFFAOYSA-N 275.312 1.327 0 50 CDAA Cc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 2773717 DZCVGNRKYKSXOG-UHFFFAOYSA-N 282.347 1.747 0 50 CDAA O[C@@H]1C[C@@H](O)CN(C2CCN(c3ccccc3F)CC2)C1 2356152631 SLKREJJSIRPELK-ZIAGYGMSSA-N 294.370 1.222 0 50 CDAA O=C1NCCC[C@]12CN(c1ncccc1Cl)CC[C@H]2O 2356156289 UXWPGMXIYNSNFP-BXUZGUMPSA-N 295.770 1.202 0 50 CDAA O=P(O)(O)C12CC3CC(C1)CC(P(=O)(O)O)(C3)C2 3176928 QELIZTPCIRIJDQ-UHFFFAOYSA-N 296.196 1.433 0 50 CDAA CC1=NN(c2ccc(S(=O)(=O)O)cc2Cl)C(=O)C1 4016139 QZFQLZZNYXSEQR-UHFFFAOYSA-N 288.712 1.699 0 50 CDAA CC(C)(C)OC(=O)C[C@@H](CO)NC(=O)OC(C)(C)C 4202298 VYLKHZZDXASXLR-VIFPVBQESA-N 275.345 1.604 0 50 CDAA COCCOc1cccc(NC(=O)CCC(=O)O)c1 10154960 PPTCXRAGQNJUDO-UHFFFAOYSA-N 267.281 1.515 0 50 CDAA Cc1nc(C)n([C@@H](C)CC(=O)Nc2cccnc2)n1 8714436 ZLJLUTJZJDWGFS-VIFPVBQESA-N 259.313 1.880 0 50 CDAA CCCc1noc([C@@H](C)NC(=O)[C@H](C)N2CCCC2=O)n1 20998533 GXIOVAWQCQCTCI-ZJUUUORDSA-N 294.355 1.210 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1nccs1 100001776 SUGSIWBFIBIQDM-MAUMQABQSA-N 264.306 1.605 0 50 CDAA CS(=O)(=O)c1ccc(C(=O)Cn2ccsc2=N)cc1 102196261 GWKUKODJWAASAH-UHFFFAOYSA-N 296.373 1.315 0 50 CDAA CCCSc1ncc(CNCCNC(C)=O)cn1 55098772 QSUFFPADIDRMJC-UHFFFAOYSA-N 268.386 1.204 0 50 CDAA COC[C@@H](C)NCc1ccccc1CN1CCCC1=O 65419646 KNYUJFXRRMXMSN-CYBMUJFWSA-N 276.380 1.934 0 50 CDAA CN(C)C[C@H]1[C@@H]2CN(Cc3cccn3-c3ncccn3)C[C@H]12 102653967 LULYOXQPEVVPOJ-PHZGNYQRSA-N 297.406 1.507 0 50 CDAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1cncc(O)c1 111776585 PHWYIBLKCOEOFG-CYBMUJFWSA-N 288.351 1.828 0 50 CDAA CNc1nc(C(=O)NCc2cccnc2N(C)C)cs1 67935127 DCXCLDJRYJXVBW-UHFFFAOYSA-N 291.380 1.576 0 50 CDAA Cc1cc(N(C)C)nc(NCCNC(=O)c2ccccc2)n1 67604986 YMQKZASQDGJPDX-UHFFFAOYSA-N 299.378 1.693 0 50 CDAA CC(C)(C)[C@H](CC(=O)O)NS(=O)(=O)c1ccccc1 136733992 DUENERYLQUCPBS-NSHDSACASA-N 285.365 1.854 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)c1cc(N(C)C)ncn1 67755026 DLQPFKPERLDPLQ-UHFFFAOYSA-N 288.399 1.952 0 50 CDAA COc1ccnc(N(C)C(=O)C2CCOCC2)c1 425601889 ATUXMHOQNAEVKI-UHFFFAOYSA-N 250.298 1.480 0 50 CDAA CSCCN1CCN(c2nc(C)cnc2C)CC1 1506398299 AEULCTXFOKUROU-UHFFFAOYSA-N 266.414 1.578 0 50 CDAA Cc1occc1C(=O)N1CCN(C)[C@H](c2nccn2C)C1 328614524 AHIYYWATEYKLSW-ZDUSSCGKSA-N 288.351 1.450 0 50 CDAA COc1ccc(-n2c(-c3cnccn3)n[nH]c2=O)c(C)c1 67788390 OHVGIRLWATUJLG-UHFFFAOYSA-N 283.291 1.335 0 50 CDAA Cc1nscc1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328632179 RRQVGPVSKFCEJC-LLVKDONJSA-N 291.380 1.304 0 50 CDAA O=C(C[C@@H](C(=O)O)N1CCOCC1)c1ccccc1 343878 DHQOIHCQRDTAFZ-LBPRGKRZSA-N 263.293 1.045 0 50 CDAA in-vitro COCc1cccc(CC(=O)N[C@](C)(CO)C(C)C)c1 253432876 PHQVXDWGFDNWFC-MRXNPFEDSA-N 279.380 1.899 0 50 CDAA O=C(CN(C1CCC1)C1CCC1)N1CCN=C(O)C1 330249881 MTSOKDZAWIWTQU-UHFFFAOYSA-N 265.357 1.192 0 50 CDAA COCc1cccc(C(=O)Nc2c[nH]nc2C(=O)OC)c1 357175831 GHWGSIAWAMHPLU-UHFFFAOYSA-N 289.291 1.595 0 50 CDAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1nc(O)n[nH]1 331087208 QJNCPLPPMPQWIT-MXWKQRLJSA-N 296.371 1.500 0 50 CDAA O=C(CO)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 331316691 JKDJJFHTKUHTKG-NSHDSACASA-N 287.262 1.180 0 50 CDAA N=c1ccnc(CN2CCC[C@]2(CO)Cc2ccccc2)[nH]1 365072062 PNXUCRLUCGPICI-QGZVFWFLSA-N 298.390 1.459 0 50 CDAA CCN(CC)C(=O)c1ccc(C(=O)N[C@H]2CCNC2)cc1 127384502 MATWHPORHHKDDS-AWEZNQCLSA-N 289.379 1.260 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1c1ccc(C(F)(F)F)cn1 284526956 JNLCPDYORVUMKD-SFYZADRCSA-N 277.221 1.503 0 50 CDAA O=C(C1CC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 333808875 ZRUGDYPOYAAPFC-UONOGXRCSA-N 285.347 1.223 0 50 CDAA CC(C)c1nnc2n1CCN(C[C@H]1CCCNC1)[C@@H]2C 261765020 MQGFMBIJCJJLIO-OLZOCXBDSA-N 277.416 1.778 0 50 CDAA Cc1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(C)C1)CCCO2 378526981 SAFWNQSWAKQYPX-LBPRGKRZSA-N 288.347 1.589 0 50 CDAA CCc1cnccc1C(=O)N1CC[C@@H](n2cccn2)C1 336524359 STEBSFSWZBHJHF-CYBMUJFWSA-N 270.336 1.928 0 50 CDAA CCOC(=S)N[C@H](Cc1ccccc1)C(=O)O 38285023 TWRKJHBBMSWIDP-SNVBAGLBSA-N 253.323 1.593 0 50 CDAA O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1Cc1cc[nH]n1 239653946 BLWCMVGETKEAKE-DLOVCJGASA-N 274.324 1.505 0 50 CDAA CN(Cc1nnc2n1CCC2)[C@@H]1Cc2ccccc2[C@H]1O 239882248 DASBTRUGNFYNKV-CZUORRHYSA-N 284.363 1.314 0 50 CDAA Cc1c(C(=O)N(C)[C@H](C)C(=O)O)nnn1-c1ccccc1 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Cc1ccc(C(=O)N(C)C[C@H]2CC(=O)N(C)C2)n1C(F)F 426593661 JAVZVFPNZFHGFB-JTQLQIEISA-N 299.321 1.742 0 50 CDAA CCOC(=O)c1cnc2c(C(=O)OCC)cnn2c1 95743346 RSCDINMGSABCMY-UHFFFAOYSA-N 263.253 1.083 0 50 CDAA Cc1ccc(NC(=O)NCCSc2ncn[nH]2)c(C)n1 96136348 VAGFNBUBEHWOHB-UHFFFAOYSA-N 292.368 1.730 0 50 CDAA Cn1cc(NC(=O)NCCCOC2CCCCC2)nn1 97137052 MTQSILXQJZCDMC-UHFFFAOYSA-N 281.360 1.676 0 50 CDAA CCn1c(C)cc(C)c(C(=O)NCCc2ccccn2)c1=O 97805516 HWURRTNGOXZCHJ-UHFFFAOYSA-N 299.374 1.853 0 50 CDAA CC(C)n1ccc(C(=O)NCC[C@H](C)CCO)n1 295263390 BHMBFZQTYOETKF-NSHDSACASA-N 253.346 1.602 0 50 CDAA COCCN1CC[C@H](CNc2ncnc(C)c2C)C1 91526568 FNQGJCIOAKTPOQ-CYBMUJFWSA-N 264.373 1.474 0 50 CDAA NC(=O)c1nccnc1C(=O)N[C@@H]1CC12CCCCC2 181298077 ZJTNTKPBPJAWFI-SECBINFHSA-N 274.324 1.028 0 50 CDAA CCc1cc(C(=O)NCc2ccncc2)cc(=O)[nH]1 97515142 PCOZVMXQBARRQR-UHFFFAOYSA-N 257.293 1.262 0 50 CDAA CCN(Cc1cn[nH]c1C(=O)O)[C@@H]1CCOC(C)(C)C1 97087890 GCGNSFWITGOBQP-LLVKDONJSA-N 281.356 1.887 0 50 CDAA CCCc1nnc(N2CCC(CC(=O)N(C)C)CC2)o1 95365513 IIDGJMNCVRGKBL-UHFFFAOYSA-N 280.372 1.717 0 50 CDAA Cc1c[nH]c(CN(C)C(=O)C2CCN(C(C)C)CC2)n1 95364330 DCIGZIUFRSBEBC-UHFFFAOYSA-N 278.400 1.797 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cc(C)n1 91830613 BVMSXDPZQROXBH-UONOGXRCSA-N 288.347 1.881 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)cs1 91665478 DSMTURFYRUTMQV-NEPJUHHUSA-N 250.367 1.866 0 50 CDAA Cc1nc(C2CC2)ccc1C(=O)N1CCCn2nnnc21 297735939 KJVAMXRUFQZQCP-UHFFFAOYSA-N 284.323 1.304 0 50 CDAA O=C(NCCc1ccc(O)cc1)c1ccc2nnc(O)n2c1 342955176 STZVYPPJBUOGTP-UHFFFAOYSA-N 298.302 1.113 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CCC(=O)NC2)n1 299748869 IMWCHJJRASJBNO-NHCYSSNCSA-N 293.367 1.982 0 50 CDAA O=C(c1cnc[nH]1)N1CCCN(Cc2cccnc2)CC1 252509809 YWDXHVRKVJYLNJ-UHFFFAOYSA-N 285.351 1.153 0 50 CDAA Cn1nnc2ccc(NC(=O)CCn3cccc3)cc2c1=O 604419708 VTHPKMKQRONVDO-UHFFFAOYSA-N 297.318 1.159 0 50 CDAA Cc1nnc(CN(C)CCc2csc(C)n2)o1 252505468 VRTPICWOXHIIAX-UHFFFAOYSA-N 252.343 1.817 0 50 CDAA COc1cccc(C(=O)NCCn2cc(C)cn2)c1C 534669275 XQDLAOGYDVVRBE-UHFFFAOYSA-N 273.336 1.939 0 50 CDAA Cc1nccn1[C@@H](C)CC(=O)N1CCSCC1 299773046 CDEKVQGLNVVELC-JTQLQIEISA-N 253.371 1.718 0 50 CDAA O=C1NC(=O)[C@]2(CCc3cc(Br)ccc32)N1 127566638 VSAYNERGILLODM-LLVKDONJSA-N 281.109 1.430 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)O)c2ccc(F)cc2O1 268954916 TWMFLCRIUJPXOW-SZEHBUNVSA-N 279.267 1.660 0 50 CDAA C[C@H](CCO)NC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 828741533 MENFGFAARYAWHU-SECBINFHSA-N 294.330 1.614 0 50 CDAA Cc1ncsc1CCC(=O)N[C@H](C)c1nncn1C 584889940 HUKMFLDTYLZEIQ-SECBINFHSA-N 279.369 1.390 0 50 CDAA O=C(c1ccc2ncsc2c1)N1CC(Cn2ccnn2)C1 585385818 HJEAJBJNTHXHMP-UHFFFAOYSA-N 299.359 1.660 0 50 CDAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC=CC1 630093340 KBMFOBAEDYKBMH-OAHLLOKOSA-N 271.364 1.842 0 50 CDAA CC(C)[C@@H](CNc1cccc(C(=O)N(C)C)n1)N(C)C 584900404 KIAOLUBXIZCYOT-CYBMUJFWSA-N 278.400 1.782 0 50 CDAA CN1C(=O)[C@@H]2CCC[C@H]1CN(C(=O)c1cscn1)C2 670447795 PSPHWQWQBIREFU-ZJUUUORDSA-N 279.365 1.226 0 50 CDAA CC[C@H](C(=O)NC(C)(C)C)N1CCc2n[nH]c(C)c2C1 670468155 RXNNXPUZDNKGLH-CYBMUJFWSA-N 278.400 1.770 0 50 CDAA CCn1cnnc1CN(C)C(=O)CCc1cccn1C 584902934 QYCRDLSSQJDPSC-UHFFFAOYSA-N 275.356 1.228 0 50 CDAA CSCC[C@H](NC(C)=O)C(=O)NC1(C(C)(C)C)CC1 670457031 STVGNKHDZYTZLS-NSHDSACASA-N 286.441 1.939 0 50 CDAA C[C@@H]1C[C@H](C(=O)NOCc2cccnc2)[C@@H](C)O1 866863760 SOBCSYHAYKOLDF-FOGDFJRCSA-N 250.298 1.443 0 50 CDAA NC[C@@H]1CCCc2ccc(C(=O)N3CCC[C@@H]3CO)cc21 1548561426 MYKRMXHDTABING-LSDHHAIUSA-N 288.391 1.662 0 50 CDAA CN1[C@H]2CC[C@@H]1CCN(C(=O)Cn1cc3ccccc3n1)C2 71268792 UAJIMPRVMZSODV-CABCVRRESA-N 298.390 1.731 0 50 CDAA O=C(C[C@H](O)c1nc2ccccc2[nH]1)N1CCCC1 1875322269 NXXDQWFLQSJZNN-LBPRGKRZSA-N 259.309 1.609 0 50 CDAA COc1ccc(C)nc1NC(=O)[C@@H]1CNC(=O)C[C@H]1C 1875300726 OMPDAQCJBAGJCF-PSASIEDQSA-N 277.324 1.109 0 50 CDAA O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1875311337 VKUHMXSJNSKKPX-YWRMTJDGSA-N 279.336 1.027 0 50 CDAA Cc1cccnc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952849002 PVGQFVWTYKRZMB-QWHCGFSZSA-N 286.335 1.843 0 50 CDAA CC[C@@H]1CC2(CCC2)CN1C(=O)c1cn(C)c(=O)n1C 1875296188 JPJNMWRMZPZORV-LLVKDONJSA-N 277.368 1.519 0 50 CDAA CN1CCC[C@H]1CCC(=O)N1CC[C@@H](O)CC(C)(C)C1 1875268802 INPCKJZZAFPBAC-UONOGXRCSA-N 282.428 1.870 0 50 CDAA O=C(O)C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCO1 1875277492 NXYWLZVDZCVJGN-UONOGXRCSA-N 291.347 1.758 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2noc(C)n2)C1 888102554 AIVSUUMONJYIDV-NEPJUHHUSA-N 291.355 1.680 0 50 CDAA CC(C)(C)[C@H](O)C(=O)NC1(c2ccccc2)COC1 888565098 XLIDGUKBQSSAMG-GFCCVEGCSA-N 263.337 1.435 0 50 CDAA CCc1nnc(CNC(=O)[C@@H](N)Cc2ccccc2)s1 244626520 FNHOOQYFOPGFFU-NSHDSACASA-N 290.392 1.287 0 50 CDAA NCC1([C@@H]2CCCCN2C(=O)c2cnncc2O)CCC1 1775731513 QZRUAYCGJMRQSN-ZDUSSCGKSA-N 290.367 1.306 0 50 CDAA Cc1ccc([C@H](CNC(=O)C[C@H](O)C2CC2)N(C)C)cc1 1775999189 PASRVLOAXOMRJY-HOTGVXAUSA-N 290.407 1.875 0 50 CDAA CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C2=NNC(=O)C2)C12CCC2 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CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 224563309 RLZCNTIKYNQYAI-IJLUTSLNSA-N 269.341 1.515 0 50 CDAA C[C@@H]1CCN(Cc2cncs2)CCS1(=O)=O 192049650 JWUIBEKNAWSLPB-SECBINFHSA-N 260.384 1.152 0 50 CDAA Cn1ncnc1NC(=O)Nc1ccn(Cc2ccncc2)n1 192418369 MDYWWYKVQSIAHY-UHFFFAOYSA-N 298.310 1.099 0 50 CDAA Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)n1C 192644858 JXCYRZDAQGFYNE-OAHLLOKOSA-N 298.342 1.985 0 50 CDAA CCn1cc(CC(=O)N2CCOC[C@H]2C2CCC2)cn1 572645542 BFZASZKNSBOBDY-AWEZNQCLSA-N 277.368 1.473 0 50 CDAA CO[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CCO1 585116092 HEMUNBRLOYQGEH-AWEZNQCLSA-N 282.315 1.459 0 50 CDAA CC(C)c1cc(C(=O)N[C@H](CO)Cc2cncs2)no1 585135326 BRLZSWOXWBHENB-VIFPVBQESA-N 295.364 1.588 0 50 CDAA CCS[C@H]1CCCCN(C(=O)c2cnc(O)n2C)C1 585131923 KCCIZTMEVDNHJG-JTQLQIEISA-N 283.397 1.874 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2CCN2C2CCCC2)no1 585121303 LKMFGADFMWMRAT-ZDUSSCGKSA-N 263.341 1.616 0 50 CDAA Cc1cc(N2C[C@H](O)[C@@H](N(C)C)C2)c2ccccc2n1 1506428770 QFUHXTJKTBXQEZ-HOTGVXAUSA-N 271.364 1.654 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)NCCc1nc(C)cc(C)n1 1506417798 BSKMJHBAFKZUFP-ZDUSSCGKSA-N 292.427 1.919 0 50 CDAA CN(C[C@@H]1CCCO1)CC(C)(C)CN1CCOCC1 200581611 SBBHGFAITOYOCC-AWEZNQCLSA-N 270.417 1.456 0 50 CDAA NC(=O)CCN(CCO)CC12CC3CC(CC(C3)C1)C2 1529120901 TXLNIBHMABUXSB-UHFFFAOYSA-N 280.412 1.373 0 50 CDAA C[C@@H]1N(C(=O)Nc2ccnnc2)CCOC1(C)C 333066467 AHKVEQDRPSSRSG-VIFPVBQESA-N 250.302 1.508 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1c[nH]c3ccccc13)C2 1704303312 GSDKNHMKGPDUHU-STQMWFEESA-N 299.374 1.571 0 50 CDAA COC(=O)CCNC(=O)c1cnc(NC2CC2)s1 584907280 FSTDESDRZKSGRD-UHFFFAOYSA-N 269.326 1.010 0 50 CDAA CCN1CCN(C(=O)c2cc(C)oc2C)C[C@@]12CCOC2 1615589197 MIEXCEVQXBPNQI-MRXNPFEDSA-N 292.379 1.833 0 50 CDAA O=C(NCc1cncc(O)c1)[C@@H]1NCC[C@@H]2CCCC[C@H]21 1615545315 GJLYAOYNWZRCLJ-NWANDNLSSA-N 289.379 1.572 0 50 CDAA Cc1oc(CN(C)C(=O)[C@@H]2CCCO2)cc1C(=O)O 263163979 PEQOXSVPBFXDRO-NSHDSACASA-N 267.281 1.424 0 50 CDAA O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCSCC1 12315625 VIDPEZWOOMRRQO-LBPRGKRZSA-N 296.436 1.743 0 50 CDAA Cc1cccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 15927504 GPPQIUIPKXCYRY-UHFFFAOYSA-N 297.314 1.445 0 50 CDAA CCN1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1 16603209 RPRSANVZBPZOSX-UHFFFAOYSA-N 292.379 1.918 0 50 CDAA CCC[C@H](C)NC(=O)CCNS(=O)(=O)c1ccccc1 16651313 BRJLPPAODSEIHZ-LBPRGKRZSA-N 298.408 1.660 0 50 CDAA COc1ccc2nc(SCCN3CCOCC3)[nH]c2c1 18122638 XZFOZZHUMZWBRM-UHFFFAOYSA-N 293.392 1.996 0 50 CDAA NCCS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 19093808 UOOBWGLMALEZNL-SNVBAGLBSA-N 268.313 1.150 0 50 CDAA CCc1ccc(CN2CCN(CCOCCO)CC2)cc1 19607079 HKGBAVCVYRCKDK-UHFFFAOYSA-N 292.423 1.376 0 50 CDAA COC(=O)[C@H]1[C@H](O)CCCN1CC=Cc1ccc(F)cc1 1857533317 GNPIIJANHDIJPC-HUUCEWRRSA-N 293.338 1.837 0 50 CDAA Cc1cc(C)n2nc(C(=O)NC[C@H]3CC3(F)F)cc2n1 1857682225 GXQNHXVZRPTSRF-SECBINFHSA-N 280.278 1.731 0 50 CDAA Cc1ccc(C)c(CNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)c1 1857717411 OJEWZZUBLDXXDN-IACUBPJLSA-N 262.353 1.018 0 50 CDAA COc1ccnc(CNC(=O)c2cnn3ccc(C)nc23)c1 344686068 DLCNCXZBTHBFTK-UHFFFAOYSA-N 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282.365 1.300 0 50 CDAA O=C1[C@@H]2CC[C@@H](CN(Cc3cnc[nH]3)C2)N1CC1CC1 1565508357 JUCSIEXRLZEDSI-OCCSQVGLSA-N 274.368 1.243 0 50 CDAA O=C(O)[C@H]1CC[C@H](C(=O)NCC2=CCCC2)N1C1CC1 630663824 DLNDRUGIDGJRRG-CHWSQXEVSA-N 278.352 1.293 0 50 CDAA FC1(F)CC[C@@H](NCc2cn(C[C@H]3CCOC3)nn2)C1 631090797 UKUTZBZSSPHFPZ-GHMZBOCLSA-N 286.326 1.592 0 50 CDAA CC(C)=CC(=O)N[C@H](C)[C@@H](C)NC(=O)C=C(C)C 585079469 STQADOQVUBYDLE-VXGBXAGGSA-N 252.358 1.928 0 50 CDAA CS[C@@H](C)Cc1nc(-c2cc(=N)[nH]cn2)no1 585086291 KTBFIHKSKIOIBV-LURJTMIESA-N 251.315 1.233 0 50 CDAA CCCCCOCC(=O)N[C@@H](C)c1nccn1C 585113875 KXUONDMKZZDBAC-NSHDSACASA-N 253.346 1.804 0 50 CDAA COc1c(CNC[C@@H]2CCc3nccn3C2)c(C)nn1C 275666678 VICDTJRLJBPADG-LBPRGKRZSA-N 289.383 1.286 0 50 CDAA Cc1ccc(C(=O)N2C[C@H]3[C@@H](N)CC[C@H]3C2)s1 170078302 VKWPZQKIWRYBCF-AXFHLTTASA-N 250.367 1.866 0 50 CDAA C[C@H]1CN(CCn2c(-c3cccs3)noc2=O)CCO1 170605589 JXFBTWNWXHRFRD-JTQLQIEISA-N 295.364 1.286 0 50 CDAA CCc1cccnc1C(=O)N[C@H]1CCC(=O)N[C@@H]1C 281668930 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O[C@@H]1CN(C2Cc3ccccc3C2)C[C@H]1Cc1cnccn1 1529133811 JIPZORAMENMSLM-CRAIPNDOSA-N 295.386 1.479 0 50 CDAA CCCCN(CC(N)=O)c1cc(C)nc(CC)n1 225822613 AMUSLRGASRUANR-UHFFFAOYSA-N 250.346 1.439 0 50 CDAA COC(C)(C)C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704280064 NPOZVSWUIJVNDA-CHWSQXEVSA-N 278.352 1.180 0 50 CDAA COc1cc(NC(=O)Cn2cc(C)cn2)sn1 1615586688 DLDHMNHPRATAHY-UHFFFAOYSA-N 252.299 1.295 0 50 CDAA COc1cc([C@@H]2[N@@]3CCC[N@@]23)cc(OC)c1OC 1857525457 RNPROPAFCLKYAO-QKDCVEJESA-N 250.298 1.647 0 50 CDAA CCCCCOCC(=O)N1CCC(N2CCOCC2)CC1 585123949 SFKDXNVWKSOQDG-UHFFFAOYSA-N 298.427 1.516 0 50 CDAA CC(=O)NC1CCC(NCCc2ccco2)CC1 161895714 QAIOKCUPAXRMGY-UHFFFAOYSA-N 250.342 1.859 0 50 CDAA C[C@]12C[C@H]1CN(C(=O)c1cn(-c3ccccc3)nn1)C2 1772812548 MWRUYASGLCUAQM-XHDPSFHLSA-N 268.320 1.749 0 50 CDAA COc1ccc(/C=C/CN2C[C@H]3[C@@H](C2)C3(CO)CO)cc1 1772711678 IYNBKEPAJDWOQV-HNQCBELMSA-N 289.375 1.241 0 50 CDAA O=[S@@](C[C@H](O)COc1ccccc1)c1ccccn1 5331876 FCGXGFOTUNMYBH-CWTRNNRKSA-N 277.345 1.629 0 50 CDAA CC(C)CCC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCO1 12713656 IVXHTUNNFSRSNO-GFCCVEGCSA-N 282.384 1.306 0 50 CDAA CSCCC(=O)NCc1cccnc1N1CCOCC1 19145374 PAYIYHOMXJRIOW-UHFFFAOYSA-N 295.408 1.288 0 50 CDAA COc1ccc(C(=O)N[C@H](C)Cn2nc(C)cc2C)o1 19782100 CZYBUXMOHQZQFQ-SNVBAGLBSA-N 277.324 1.920 0 50 CDAA Cn1ccnc1-c1nccn1[C@@H]1COC2(CCNCC2)C1 1857668210 HDYIUFRZAFOYKU-LBPRGKRZSA-N 287.367 1.367 0 50 CDAA COc1cccnc1CN1C[C@H]2CCCN2C(=O)[C@@H]1C 1857690027 SEMWFKNYVLOOMW-NWDGAFQWSA-N 275.352 1.285 0 50 CDAA Cc1cccc(CCCNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)c1 1857720873 PEBDLULMQDKOJH-RRFJBIMHSA-N 276.380 1.142 0 50 CDAA C[C@H](O)CNC(=O)NC[C@@H]1CCCN1C1CCCCC1 241316778 LUVIPHYJBKHWLL-JSGCOSHPSA-N 283.416 1.464 0 50 CDAA O=c1c2ccc(Cl)cc2ncn1C[C@@]1(O)CCCOC1 656694800 VNKRNAOKOXEQHC-AWEZNQCLSA-N 294.738 1.591 0 50 CDAA O=C(Cn1cc2c(n1)CCOC2)NCc1ccccc1F 664050103 ACCVXUFQUOVTLN-UHFFFAOYSA-N 289.310 1.411 0 50 CDAA C[C@@H](CO)CCCNC(=O)CC1(CC(=O)O)CC1 1875278751 BMFICNLJLHGAFI-SNVBAGLBSA-N 257.330 1.156 0 50 CDAA COC[C@@H](NC(=O)[C@@H](CC(C)C)C(C)C)C(=O)O 1875271294 WMRSUNUFNFIZDL-WDEREUQCSA-N 259.346 1.521 0 50 CDAA COc1c(C)ncnc1N1CCC2(CC1)C[C@@H]2C(=O)O 910309364 PMOKVJSMHSNZIK-SNVBAGLBSA-N 277.324 1.485 0 50 CDAA O=C(NC1CCCCC1)c1cnc2sccn2c1=O 6886298 AITHHZVDQFVYKJ-UHFFFAOYSA-N 277.349 1.819 0 50 CDAA COCCNC(=O)[C@@H](C)Oc1ccc(OC)cc1 11560091 VNQZSXDNJHQHOA-SNVBAGLBSA-N 253.298 1.225 0 50 CDAA COc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)c1OC 268933971 ZVHNYUAIQGRVLF-UWVGGRQHSA-N 279.292 1.041 0 50 CDAA O=C(O)c1cccc(C(=O)NCCC[C@@H]2CCOC2)c1 402173473 XHMGZYGLYVFQOQ-LLVKDONJSA-N 277.320 1.931 0 50 CDAA O=C(O)[C@@H](CNC(=O)[C@@H]1CCCOC1)CC1CC1 405440101 VKJIYKVNUKEKIT-GHMZBOCLSA-N 255.314 1.030 0 50 CDAA O=C1CCCN1CCN1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 337286697 KRXPCMLZXVRXOU-RRFJBIMHSA-N 280.412 1.624 0 50 CDAA O=C1OC[C@H]2CN(C(=O)CCCCc3cccnc3)C[C@@H]12 2100537446 NEHQFOAMZCVDEV-ZIAGYGMSSA-N 288.347 1.426 0 50 CDAA Cc1nc(C)c(C(=O)Nc2cnc3ccccn3c2=O)o1 2100543522 TWYVPERAMFFENJ-UHFFFAOYSA-N 284.275 1.552 0 50 CDAA c1ccc2c(-c3nnc4n3CCOCC4)c[nH]c2c1 594639384 NUCJDIFZCVGZQR-UHFFFAOYSA-N 254.293 1.999 0 50 CDAA C[C@H](C(=O)O)C(=O)NC1(c2nccc(C(F)F)n2)CCC1 2325788550 NZEMIVDOVLVJRA-ZETCQYMHSA-N 299.277 1.630 0 50 CDAA Cc1cc(C)cc(C2(C(=O)N[C@@H](C)[C@@H](O)C(=O)O)CC2)c1 2325792224 MTLGUJZHHIDVPB-WCQYABFASA-N 291.347 1.285 0 50 CDAA COc1c(C)cc(CN(C)C[C@H]2OC(=O)C[C@@H]2O)cc1C 2325803697 WEUMIMKSSLNHOU-UONOGXRCSA-N 293.363 1.420 0 50 CDAA CN(C)[C@@H]1C[C@H](N=c2ccc3ncc[nH]c-3n2)C12CCC2 857760846 RDDXGZJSTNKEGO-QWHCGFSZSA-N 283.379 1.683 0 50 CDAA O=S(=O)(/C=C/c1ccccc1)N1CCOCC1 888834 RDTYOSMNVSOCAV-IZZDOVSWSA-N 253.323 1.319 0 50 CDAA O=C(O)c1cccc(-c2nc(N3CCOCC3)n[nH]2)c1 2356169164 VLZYJUYJFMYMGG-UHFFFAOYSA-N 274.280 1.007 0 50 CDAA CC(=O)Oc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 4843073 CUFRTSJOAKLDKY-UHFFFAOYSA-N 298.298 1.963 0 50 CDAA CC[C@H](C)NC(=O)[C@@H]1CC(c2cnn(CC)c2C)=NO1 6804882 MOBSDSWSVSGDGC-ZANVPECISA-N 278.356 1.619 0 50 CDAA O[C@@H]1CCC[C@H]1[C@H]1COCCN1CC1CCOCC1 344596762 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280.372 1.340 0 50 CDAA CNCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 237193342 FCSCBUJATXOKRQ-ZWNOBZJWSA-N 250.317 1.955 0 50 CDAA Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)cn1 333603570 DBAZHQYHVBZSER-NHIYQJMISA-N 289.379 1.597 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@H]1CCCC[C@H]1N)C2 128929222 VXNZCFAFBPFMCS-IIAWOOMASA-N 288.391 1.993 0 50 CDAA O=C(NCC(=O)N1CC2(CC2)C1)c1ccc(F)c(F)c1 334830616 YDCOBAFSEPZMAZ-UHFFFAOYSA-N 280.274 1.317 0 50 CDAA CCC[C@H](N)C(=O)NCCCc1nc2cc(F)ccc2[nH]1 219298426 ZOKYRWKAUOAYEK-NSHDSACASA-N 292.358 1.878 0 50 CDAA CCN(CC)[C@H]1CCN(C(=O)c2oc(C)nc2C)C1 74176833 VTPRYUOZLSMSIX-LBPRGKRZSA-N 265.357 1.848 0 50 CDAA COc1cccc(CSc2nnc(CN)n2C)c1 71373653 AGMVCHXDOALBFM-UHFFFAOYSA-N 264.354 1.575 0 50 CDAA Cc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1 337131072 BHDGMUXMFSNAML-XHSDSOJGSA-N 289.375 1.997 0 50 CDAA C[C@H](CC(N)=O)C(=O)NCCO[C@H]1CCCC[C@H]1C 240333610 FEGHZUBZZMPPTM-UTUOFQBUSA-N 270.373 1.209 0 50 CDAA 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638861439 WKFBWOQIPCGTOB-LBPRGKRZSA-N 253.390 1.058 0 50 CDAA COC[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCO2)CC1 331478485 PGPOOIUHBWDVHD-QWHCGFSZSA-N 291.413 1.244 0 50 CDAA CC[C@@]12C[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1772814632 KPRAWUOWCDMUBS-YGRLFVJLSA-N 256.309 1.601 0 50 CDAA CCCN(CCC)C(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 138755936 CBLLLOOLSCFRGH-DDHJBXDOSA-N 269.341 1.513 0 50 CDAA COc1ccccc1CC(=O)N1CCC(C(=O)O)CC1 11767229 WAPZMVSSVWTEGI-UHFFFAOYSA-N 277.320 1.561 0 50 CDAA COC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCO1 12120427 USUPSROBMXILIW-SECBINFHSA-N 269.322 1.961 0 50 CDAA O=C(c1cn[nH]c1)N1CCO[C@H](Cc2cccc(F)c2)C1 12315100 YJPZSEWEDNUZQP-CQSZACIVSA-N 289.310 1.633 0 50 CDAA Cc1cnc(N2CCO[C@@H](CCN(C)C)C2)nc1N(C)C 12762647 YRTUMDWUQYTBHY-ZDUSSCGKSA-N 293.415 1.008 0 50 CDAA CCC[C@H](C)NC(=O)c1cnc2sccn2c1=O 16649771 NATKOKCPWAUMFG-QMMMGPOBSA-N 265.338 1.674 0 50 CDAA COc1ccc(O)c(-c2ccc3c(O)nc(=O)n(C)c3n2)c1 1857526446 HLOFIWKQIPXXBP-UHFFFAOYSA-N 299.286 1.415 0 50 CDAA O=C(NCC1C2CC3CC(C2)CC1C3)N[C@H]1COC[C@@H]1O 1857528146 ROTWDZGSRVJKPS-ZSGVNNNSSA-N 294.395 1.118 0 50 CDAA Cc1cc2n(n1)CCN(C(=O)[C@@]1(C)CC13CCNCC3)C2 1857689759 KUKMSJICQLQEKD-OAHLLOKOSA-N 288.395 1.314 0 50 CDAA CNC1CCN(C(=O)c2ccc(-n3cncn3)c(C)c2)CC1 237152285 OPEJNKJOWNDOCX-UHFFFAOYSA-N 299.378 1.400 0 50 CDAA C[C@H](N)[C@H]1CN(Cc2cccc3c2CCOC3)CCO1 631822653 JZWAHOKKSHWISM-BLLLJJGKSA-N 276.380 1.307 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCC[C@@H](C)[C@@H]1CN 237072636 QKCBWDKWZLQGMV-RISCZKNCSA-N 293.411 1.928 0 50 CDAA Cn1cc(-c2c[nH]cc2C(=O)N[C@H]2CCCC[C@@H]2O)cn1 335877850 DRQQHHMQVMGONC-KBPBESRZSA-N 288.351 1.449 0 50 CDAA COCC(C)(C)c1noc([C@@H](C)c2cnn(C)c2)n1 585120365 JSSSBLNELVTRGI-VIFPVBQESA-N 264.329 1.879 0 50 CDAA C[C@@H](C(=O)O)N(C)c1ncnc2c1ncn2C1CC1 263533010 XOQGRYOBQWZPQY-ZETCQYMHSA-N 261.285 1.071 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CCNC2=O)CC1 35571182 ADPIEGXXCABJCH-UHFFFAOYSA-N 254.330 1.524 0 50 CDAA in-vitro CC(C)(C)OC(=O)NCc1nc(C2CCNCC2)n[nH]1 395915069 FCXJWXOARUZMMX-UHFFFAOYSA-N 281.360 1.296 0 50 CDAA CCc1noc(C)c1CN1CCNCCC12CCOCC2 903818087 WAZPDJGZDWAOEO-UHFFFAOYSA-N 293.411 1.890 0 50 CDAA Cn1ncc(CNC(=O)N[C@@H]2CCc3cc(F)ccc32)n1 804978472 UGVXKMJINRWSTE-CYBMUJFWSA-N 289.314 1.441 0 50 CDAA O=C(Nc1c[nH]ccc1=O)[C@H](O)c1ccc(Cl)cc1F 813437540 ZLKPQZPLNGUZKM-GFCCVEGCSA-N 296.685 1.840 0 50 CDAA O=C([C@H](O)C1CCCCCCC1)N1CC[C@@]2(O)C[C@H]2C1 825363487 ZFPDHDSXKPUQNH-SQWLQELKSA-N 281.396 1.691 0 50 CDAA Cc1cc(C)nc(CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1 930315044 JNSUITBQLMCRLJ-ZDUSSCGKSA-N 286.383 1.577 0 50 CDAA Cc1cccnc1NC(=O)CN1Cc2c[nH]nc2[C@H](C)C1 931465985 IPEGRQNMYQIMOB-LLVKDONJSA-N 285.351 1.671 0 50 CDAA C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)n1)c1nc[nH]n1 933856725 YVLXLGRPIJLZNH-SSDOTTSWSA-N 299.256 1.638 0 50 CDAA O=C(c1nccc2cccnc12)N1CCN2C(=O)CC[C@H]2C1 935169531 TXDRLEKVSLEGOP-LBPRGKRZSA-N 296.330 1.077 0 50 CDAA O[C@H](Cc1cn(C2CCNCC2)nn1)c1ccccc1 849151550 YEGOIIDLDSUXNA-OAHLLOKOSA-N 272.352 1.479 0 50 CDAA COc1cccc(C(=O)N2CCCC[C@H]2C(=O)O)c1F 237357060 WALKCAGMVVGWED-JTQLQIEISA-N 281.283 1.914 0 50 CDAA COc1cccc(C(=O)N2CCC(C(=O)O)CC2)c1F 237356845 IRBBBQMUYOZMLU-UHFFFAOYSA-N 281.283 1.771 0 50 CDAA C[C@H]1CN(C(=O)CCOc2ccc(F)cc2)CCN1 237587624 JIMGRJZZGVPZAQ-NSHDSACASA-N 266.316 1.415 0 50 CDAA C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@@H](C)N1 153965373 QVQRRBYRVXWRIV-AOOOYVTPSA-N 280.393 1.643 0 50 CDAA O=C(O)CCCCC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 263288748 LDGJVFLXMOOVJP-WRWGMCAJSA-N 267.325 1.267 0 50 CDAA Cc1c(F)cccc1C(=O)N1CCO[C@@H](C(=O)O)C1 263279198 XBUUZWJGGYPRJQ-LLVKDONJSA-N 267.256 1.060 0 50 CDAA CNc1ccnc(NCCc2noc(C(C)C)n2)n1 65399279 PHEBCQIQFJEAPM-UHFFFAOYSA-N 262.317 1.679 0 50 CDAA Cc1nn(Cc2nc(-c3ccsc3)no2)c(=O)n1C 650347517 DBXBKXLIEOTSPG-UHFFFAOYSA-N 277.309 1.050 0 50 CDAA CCN1C(=O)[C@H](CC(=O)NC2CCCCC2)N(CC)C1=O 621444 MHIPKFRSNPMULA-LBPRGKRZSA-N 295.383 1.498 0 50 CDAA COc1c(C)[nH]ccc1=Nc1ncc(C)c(N(C)C)n1 2100557486 VGVWOSWKVJHQQH-UHFFFAOYSA-N 273.340 1.729 0 50 CDAA C[C@H](C(=O)NC[C@@H]1CC[C@@H]2C[C@H]2C1)N1CCCCC1=O 2325758591 XKFOYNJCKGAZLP-AAVRWANBSA-N 278.396 1.940 0 50 CDAA O=c1nc(Cc2ccccc2)[nH]n1C[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 2325777463 CVFJXGMZXONGNE-HCZIRCDUSA-N 297.358 1.586 0 50 CDAA C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccccc23)CCN1 235711926 WWWRWXIVRHRYTO-VHSXEESVSA-N 258.325 1.433 0 50 CDAA COc1ccc([C@H]2CC(=O)c3cnc(N)nc3C2)cc1 177136 VUGWFHHXRWKZKD-SNVBAGLBSA-N 269.304 1.980 0 50 CDAA biogenic COc1ccc(NC(=O)CNC(=O)c2ccco2)cc1 255551 PDMVBDHGGMIJMZ-UHFFFAOYSA-N 274.276 1.657 0 50 CDAA CCN(CC)C(=O)Cn1nnc(-c2ccccc2)n1 2837159 BVIFCJQZQZWVEH-UHFFFAOYSA-N 259.313 1.209 0 50 CDAA CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 2837597 AUPUONWDJIFTBQ-UHFFFAOYSA-N 266.297 1.169 0 50 CDAA O=C(CNC(=O)c1ccco1)Nc1ccc(F)cc1 2868834 AQQZWSKKBHAKCI-UHFFFAOYSA-N 262.240 1.787 0 50 CDAA O=S(=O)(O)CCC[n+]1ccc2ccccc2c1 3130486 TZOTUGCLLXKSEG-UHFFFAOYSA-O 252.315 1.405 0 50 CDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)Cc3cc(C)no3)C[C@H]21 2356166708 KJPMOFIBADMLKM-BJJXKVORSA-N 292.379 1.925 0 50 CDAA Cc1cc(=O)oc2cc(OCc3nn[nH]n3)ccc12 6075970 HVKWWPAOLVNFAP-UHFFFAOYSA-N 258.237 1.194 0 50 CDAA biogenic O=C(Cc1cccc2ccccc12)Nc1c[nH]c(=O)[nH]c1=O 6742952 RDHCWOOTFXOYSX-UHFFFAOYSA-N 295.298 1.398 0 50 CDAA Cc1cc(=O)[nH]c2c1c(=O)[nH]n2[C@@H]1C[C@@H](C)N(C)C[C@@H]1C 8617277 MVFIEUFRENOXDE-HBNTYKKESA-N 290.367 1.228 0 50 CDAA CC(C)[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 9486166 WMUQOFMUSUYODQ-LBPRGKRZSA-N 276.292 1.492 0 50 CDAA CCN1CC[C@H](CNC(=O)[C@H]2COc3ccccc32)C1 247210741 LYYGCMDCHYBDDY-OCCSQVGLSA-N 274.364 1.621 0 50 CDAA Cc1cncc(CN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c1 345839459 OBCLQKNRGOCGPS-OAGGEKHMSA-N 276.380 1.752 0 50 CDAA CC1(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)CCCC1 66443042 NGMKPRWWKQGYPF-LLVKDONJSA-N 267.373 1.474 0 50 CDAA CCOC(=O)C1=C(O)C(=O)N(CCc2ccccc2)C1 25972840 UQXNDJGPNMLFQG-UHFFFAOYSA-N 275.304 1.447 0 50 CDAA COCCn1cncc1CNC(=O)c1ccc(C)s1 219586382 DOMSQYNETNTDSY-UHFFFAOYSA-N 279.365 1.829 0 50 CDAA Cc1[nH]c2ccccc2c(=O)c1CC(C(=O)O)C(=O)O 65362475 NVZAPLDSWVGXHX-UHFFFAOYSA-N 275.260 1.164 0 50 CDAA Cc1cnc([C@H](C)N2CCC[C@H](c3cc[nH]c(=N)n3)C2)cn1 330239647 BDUYGIOBMVSBCT-STQMWFEESA-N 298.394 1.928 0 50 CDAA Cc1cccc(CSCCCNC[C@]2(O)CCNC2)c1 77318858 XIGCAFMYAUOIGE-MRXNPFEDSA-N 294.464 1.932 0 50 CDAA COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)ccc1F 119413516 QLZQXFSIUOUACD-CMPLNLGQSA-N 294.326 1.608 0 50 CDAA Cc1cnn(C[C@@H]2CCCN2[C@@H]2C[C@@H](C)OC2=O)c1 229551595 GFCRDEIAHUNAFV-FRRDWIJNSA-N 263.341 1.360 0 50 CDAA Cc1c(NC(=O)c2ccc3c(c2)OCCO3)cnn1C 177253190 KLRBBEQFSFNLPO-UHFFFAOYSA-N 273.292 1.752 0 50 CDAA CC(C)N1CCC[C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1=O 230128773 YEFUXWQIHPWZMQ-XGUBFFRZSA-N 280.412 1.933 0 50 CDAA Cn1nncc1C(=O)N1CCSC2(CCCCC2)C1 253395583 XPDMUOFBICCSLM-UHFFFAOYSA-N 280.397 1.707 0 50 CDAA Cn1nnnc1Cn1cc(C(F)(F)F)cc(Cl)c1=O 330786407 VMVORDARNGUDEQ-UHFFFAOYSA-N 293.636 1.092 0 50 CDAA COc1nccnc1N1CCC[C@H](N2CCCC2=O)C1 71760791 ROBSYQXUMHIVTK-NSHDSACASA-N 276.340 1.076 0 50 CDAA Cc1ccc(F)c(CN(C)C(=O)[C@H](C)S(C)(=O)=O)c1 330966889 LLHXVTRXWBBFDY-JTQLQIEISA-N 287.356 1.526 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)C=C(C2CC2)C2CC2)CCO1 328595575 YPCXSCGQPPXIPQ-LBPRGKRZSA-N 265.309 1.045 0 50 CDAA COc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1F 258688239 LVKZBMQNMCFTEU-IUCAKERBSA-N 267.256 1.171 0 50 CDAA CC[C@@H](C(=O)O)N(c1ccc(Cl)cc1)S(C)(=O)=O 39315703 VLACUDABPCZYEB-JTQLQIEISA-N 291.756 1.969 0 50 CDAA CC(=O)c1cc(C(=O)N2CCO[C@H]([C@@H](C)O)C2)ccc1C 331329694 HEIPJMZBBVUYTB-DOMZBBRYSA-N 291.347 1.419 0 50 CDAA CC(C)(CC(=O)N1CCN[C@H](C(=O)O)C1)c1ccccc1 71738409 IPQWRADVIBTCNK-ZDUSSCGKSA-N 290.363 1.239 0 50 CDAA O=c1c2ccncc2ncn1Cc1n[nH]c2c1CCCCC2 32540681 MJNOWENHFINGBN-UHFFFAOYSA-N 295.346 1.832 0 50 CDAA Cn1ccnc1-c1cc(=NC(=O)[C@@H]2Cc3ccccc32)[nH][nH]1 435710962 MKSUIQBSVCQGMB-GFCCVEGCSA-N 293.330 1.511 0 50 CDAA CC(C)=C(F)C(=O)NCc1ccc(-c2nnn[nH]2)cc1 156680879 YQYZFGIGCMOCFM-UHFFFAOYSA-N 275.287 1.746 0 50 CDAA COC(=O)c1ccccc1C(=O)n1nnc2ccccc21 32602918 RVRODUVZYVOTKV-UHFFFAOYSA-N 281.271 1.906 0 50 CDAA CS(=O)(=O)C1(CNC(=O)[C@@H]2CCCC(F)(F)C2)CC1 332164079 RSVOZGAFJIKRLB-SECBINFHSA-N 295.351 1.505 0 50 CDAA CO[C@H]1C[C@H](CC(=O)O)N(C(=O)c2ccc(C)n2C)C1 262990751 KBQGNFMUIFENQN-MNOVXSKESA-N 280.324 1.038 0 50 CDAA CCc1nc(CN2CC(C)(C)O[C@@]3(CCOC3)C2)no1 373788349 AJNDIZAHOGATOD-AWEZNQCLSA-N 281.356 1.402 0 50 CDAA C[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)CCCO1 374275090 SFRXVQDPXOMXGO-CYBMUJFWSA-N 272.352 1.878 0 50 CDAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NCCc1nc(O)cc(O)n1 219957616 HVOINBPMIOHPME-VWYCJHECSA-N 289.335 1.149 0 50 CDAA Cn1nc(C(=O)N=c2cc3n([nH]2)CCCC3)c2c1CCCC2 333094127 OWJKVQIDFYWXPF-UHFFFAOYSA-N 299.378 1.506 0 50 CDAA C[C@@H]1CCCCN1C1CN(Cc2c[nH]nc2C(=O)O)C1 219663317 VZVWYKULYAAIKL-SNVBAGLBSA-N 278.356 1.167 0 50 CDAA COc1ccc(/C(C)=C/C(=O)N2CCN[C@@H](C)C2)cc1 237334260 JGARUMSFFBYLGH-XSNHNAGMSA-N 274.364 1.919 0 50 CDAA COC(=O)COc1ccc(/C=C(/C)[N+](=O)[O-])cc1 71772447 BIDQHZJNJONUJQ-CLFYSBASSA-N 251.238 1.876 0 50 CDAA CN1C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)CC[C@@H]21 286160446 HHKSHUWOOULOLL-NEPJUHHUSA-N 288.351 1.130 0 50 CDAA O=C(c1ncn[nH]1)N1CCCC[C@@H]1CCn1cccn1 216354655 FONYGGRKSTYMQE-LLVKDONJSA-N 274.328 1.086 0 50 CDAA CN1C(=O)[C@]2(CCCN(CCCO)C2)c2ccccc21 72154950 NXCRLJYQZFPWDS-INIZCTEOSA-N 274.364 1.379 0 50 CDAA Cc1cc(C(=O)NCCOCCO)c2ccc(F)cc2n1 82138297 GWRHVNYGZGJRCX-UHFFFAOYSA-N 292.310 1.421 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1COc2ccc(F)cc21 336550886 KJBBTIUHUSSJBB-CYBMUJFWSA-N 289.310 1.958 0 50 CDAA Cn1cc(CCOC(=O)C[C@H]2C(=O)Nc3ccccc32)cn1 132171864 XARSHJMYVPONFR-CYBMUJFWSA-N 299.330 1.632 0 50 CDAA CC(C)c1nn(C)c(Cl)c1C(=O)N1CC[C@@H](N)C1 132569265 RXZYBAAUJRBVDE-MRVPVSSYSA-N 270.764 1.370 0 50 CDAA CCN(Cc1cccnc1)C(=O)c1ccncc1O 220445024 ZYHYGMWJRZETRM-UHFFFAOYSA-N 257.293 1.845 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)CCc2ccncc2)C1 82243861 DYKLXPBFSCGHIA-LBPRGKRZSA-N 262.309 1.337 0 50 CDAA COC(C)(C)CNC(=O)c1c(C)[nH]c(C)cc1=O 426362094 VRPRYXKTCXNXJK-UHFFFAOYSA-N 252.314 1.147 0 50 CDAA CCSc1ccc(C(=O)N2CCOCCN2)cn1 615489981 JMURTEBUGVLSFG-UHFFFAOYSA-N 267.354 1.171 0 50 CDAA OC[C@@H]1CCCN1Cc1cccc(Cn2cccn2)c1 220506351 XRBGPWYSZCHUOS-INIZCTEOSA-N 271.364 1.888 0 50 CDAA CC(C)(C)n1ccc(C(=O)N2CCC[C@@H]2C(=O)O)c1 426510597 HDMUDXXFJHLQIB-LLVKDONJSA-N 264.325 1.932 0 50 CDAA Cc1nc(NCc2ccncn2)cc(C2CC(O)C2)n1 220142180 DHDCWACFRNCPMN-UHFFFAOYSA-N 271.324 1.425 0 50 CDAA Cn1cnnc1C1CCN(C[C@@H]2CCOC2)CC1 97515015 ZACORYPHHCQSOZ-NSHDSACASA-N 250.346 1.031 0 50 CDAA CCN(Cc1ccncc1)C(=O)CCc1nncn1C 97743587 DCAPUQWHMRUOFJ-UHFFFAOYSA-N 273.340 1.191 0 50 CDAA O=C(C[C@H]1NC(=O)c2ccccc21)NCCc1ccccn1 97499505 OGNXHENNPUUNIP-OAHLLOKOSA-N 295.342 1.615 0 50 CDAA CC(=O)SCCC(=O)NCc1cnc(C)cc1C 96028167 UEGBKMJDIDYLFZ-UHFFFAOYSA-N 266.366 1.984 0 50 CDAA O=C1OC[C@H](CO)N1Cc1cccc(Cl)c1F 95500267 LWCUXDOXGLUJRK-QMMMGPOBSA-N 259.664 1.792 0 50 CDAA CC(=O)/N=c1\sccn1CC(=O)c1ccccc1 95947262 VRYDHOFIMQNBBL-YPKPFQOOSA-N 260.318 1.880 0 50 CDAA CCc1nc(CN2CC[C@H](O)CC(C)(C)C2)n[nH]1 331652884 PBDHZXGMJSASSP-JTQLQIEISA-N 252.362 1.350 0 50 CDAA Cc1nc(NCCCn2ccnc2)cc([C@H]2C[C@@H](O)C2)n1 244701289 KDJCQOAAESQXBA-BETUJISGSA-N 287.367 1.722 0 50 CDAA Cn1cc([C@@H](NC(=O)NC2CCCC2)[C@H]2C[C@H](O)C2)cn1 244608536 FEHXSOXBBHSYTE-BPNCWPANSA-N 292.383 1.474 0 50 CDAA Cn1ccnc1[C@H](NC(=O)CCCn1ccnc1)C1CC1 244787982 QHGYWTWEMCKRJP-CQSZACIVSA-N 287.367 1.664 0 50 CDAA Cn1nc2c(c1NC(=O)CCc1cscn1)CCC2 299585077 CLSVNADXMADUNL-UHFFFAOYSA-N 276.365 1.937 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCCOc1ccc(F)c(F)c1 299753543 YNAHQJNUEAROGL-RKDXNWHRSA-N 285.246 1.181 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC12CCNCC2 534587332 NETSEKQRVQEERN-CQSZACIVSA-N 290.411 1.465 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C 630204297 PCRIHODUWVCSQR-KLFGWDPYSA-N 299.367 1.138 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)CN1Cc1cccc2ncccc12 299786990 SFZPGDFIFCYNGO-RISCZKNCSA-N 272.304 1.255 0 50 CDAA O=C(Nc1cccc(-n2cnnc2)c1)N1CCSCC1 299771994 ZEJMULIXVNHLCW-UHFFFAOYSA-N 289.364 1.848 0 50 CDAA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cn1)[C@H]1CC[C@H]2O1 299872821 NWUUUTJFBHEOLX-YJFSRANCSA-N 278.695 1.402 0 50 CDAA CC(C)[C@@H](O)C(=O)N(C)Cc1ccc2c(c1)CN(C)C2 823806406 RPWNDIPJBWOZIC-OAHLLOKOSA-N 276.380 1.607 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NC[C@]1(C)CCN(C)C1 823754958 LMYCYYHYEPJNFO-AWEZNQCLSA-N 264.373 1.027 0 50 CDAA CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](O)C2 823597136 AEZAMHJFWOYWCC-NSHDSACASA-N 277.368 1.379 0 50 CDAA CC(C)N(C)C[C@@H](C)NCc1cccc(CO)c1 828827586 JNWQNCLNTKQRBR-CYBMUJFWSA-N 250.386 1.997 0 50 CDAA COc1ccnc(C(=O)NCCc2nc(C3CC3)no2)c1 584899468 FVICHYPAKDPQMI-UHFFFAOYSA-N 288.307 1.323 0 50 CDAA O=C(CC1CCNCC1)Nc1cccc2nonc12 585136528 JPRQDFVUYYTITL-UHFFFAOYSA-N 260.297 1.551 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccncc1Cl 584889783 PQVHOPPDZOZDPF-RYUDHWBXSA-N 283.759 1.184 0 50 CDAA CC[C@@H](NC(=O)c1cnc(C2CC2)nc1)c1cnn(C)c1 584899808 WBQHQWWOYXUCED-CYBMUJFWSA-N 285.351 1.969 0 50 CDAA Cc1nonc1CNC(=O)CCc1n[nH]c2c1CCCC2 584894105 VSMZROHJCVSRJY-UHFFFAOYSA-N 289.339 1.229 0 50 CDAA Cc1cc(Br)cc(NCCn2ccnn2)n1 1548451887 XSJQKXQQWZAKCS-UHFFFAOYSA-N 282.145 1.856 0 50 CDAA CCCCC[C@@H]1NC(=O)[C@H](CCC(F)(F)F)NC1=O 1875281335 IHBZLYZVNCMQOB-IUCAKERBSA-N 280.290 1.892 0 50 CDAA Cc1cc(-c2noc([C@H]3CO[C@H](C)C3)n2)cc(=N)[nH]1 1875286647 YXTMOZRDKNEPKU-PSASIEDQSA-N 260.297 1.745 0 50 CDAA O=C1COc2c(cccc2-c2cccc3c2CNC3=O)N1 1875325391 XBPWIWBEHRDBNY-UHFFFAOYSA-N 280.283 1.928 0 50 CDAA Cc1nnc(Cn2c(Cc3ccc(F)cc3)noc2=O)o1 1875391590 FPFZAEPXCHYNIN-UHFFFAOYSA-N 290.254 1.306 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)Cc1nccn1C(C)C 1875370649 XGVZACNLWHBLKU-UHFFFAOYSA-N 278.356 1.067 0 50 CDAA CN(C)C/C=C/C(=O)NCCc1cnn(-c2ccccc2)n1 1875376728 GUZIBCKTCFFWQC-RMKNXTFCSA-N 299.378 1.044 0 50 CDAA CCC(=O)N1CCCOC12CN(C(=O)OC(C)(C)C)C2 952880297 NOELWYOGIITUHW-UHFFFAOYSA-N 284.356 1.592 0 50 CDAA COc1cn(C)nc1[C@H](C)Nc1cc(F)ncn1 952995233 FNLSNUSZGGUHMV-ZETCQYMHSA-N 251.265 1.531 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)C1=C(C)OCCO1 952971983 AJBUHKKSMYTROF-NSHDSACASA-N 265.313 1.056 0 50 CDAA C[C@@]1(N)CCCC[C@H]1C(=O)NCCCc1cc(O)n[nH]1 888096796 QWIRLWFPQLTZKE-SMDDNHRTSA-N 280.372 1.072 0 50 CDAA CN(C)C[C@@]1(O)CCN(c2ccnc(-c3ccccc3)n2)C1 895008783 DFOTUIWHRWUFAA-KRWDZBQOSA-N 298.390 1.646 0 50 CDAA Cc1cc(CNC(=O)[C@H]2NCCOc3ccccc32)n[nH]1 1775487348 HMULGFLLQFISPL-AWEZNQCLSA-N 286.335 1.058 0 50 CDAA COc1cccc(C[C@](C)(C(=O)O)n2cccn2)n1 1776004781 XJLHYWHRUFRTJK-CYBMUJFWSA-N 261.281 1.329 0 50 CDAA CC(C)CN(Cc1nn[nH]n1)C(=O)c1cc(F)ccc1F 1419120169 JKDQRQDBPABMGY-UHFFFAOYSA-N 295.293 1.776 0 50 CDAA c1ccc(-c2noc([C@]34CNC[C@H]3CCOC4)n2)cc1 899993488 JFRITOYAGDWZKZ-DOMZBBRYSA-N 271.320 1.614 0 50 CDAA CCC[C@@H]1C[C@@H]1C(=O)N1CCN(CCCCOC)CC1 1565510284 BRAAJBCEXDJABJ-CABCVRRESA-N 282.428 1.993 0 50 CDAA CC(C)S(=O)(=O)c1ccc(N2CCNCC2)cc1 39320841 ZLUCBCOJCIZPEX-UHFFFAOYSA-N 268.382 1.278 0 50 CDAA in-vitro Cc1ccccc1NC(=O)CN1CCCC[C@]1(C)C(N)=O 185896432 IVOWPGIESLWIQK-MRXNPFEDSA-N 289.379 1.663 0 50 CDAA CCOC(=O)c1c(Cl)cccc1NS(C)(=O)=O 95725464 OMQFQSWXBYOKLG-UHFFFAOYSA-N 277.729 1.888 0 50 CDAA in-vitro O=C1N[C@@]2(CCOC2)C(=O)N1c1cccc(C(F)F)c1 277932436 BPVJTVTWKNHGTO-CYBMUJFWSA-N 282.246 1.840 0 50 CDAA O=C1C[C@H](N[C@H]2CCSC2)CN1c1ccccc1 170040592 RZIWVEQJNJRDFR-RYUDHWBXSA-N 262.378 1.887 0 50 CDAA CCc1oc(C(=O)NCCCN2CCNCC2)cc1C 170047970 HRQUMWOUTKZQNS-UHFFFAOYSA-N 279.384 1.176 0 50 CDAA CS(=O)(=O)N1CCC(c2nc(-c3ccoc3)no2)CC1 278260057 USLDZSBQZICQIW-UHFFFAOYSA-N 297.336 1.469 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1N 211724811 XYNXHOHNYDERTP-UWVGGRQHSA-N 272.345 1.134 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)C2CC=CC2)C[C@@H]1C 170610017 GHIWIXSNGYFDCM-JQWIXIFHSA-N 251.326 1.610 0 50 CDAA COCCc1ncc(CN2CCC(C(=O)OC)CC2)s1 602433001 JRWXBHPZIFTPHT-UHFFFAOYSA-N 298.408 1.717 0 50 CDAA C[C@H]1COCCN1CCN(C)CC[C@H]1CCCCN1C 225399715 XHHTUCHDLQGMMP-JKSUJKDBSA-N 283.460 1.513 0 50 CDAA COC(=O)c1c(I)c(C)nn1C 307232166 CCXMXHUJAJUPQL-UHFFFAOYSA-N 280.065 1.120 0 50 CDAA COC[C@H]1CN(C(=O)c2csnc2C)C[C@H](C)O1 188506389 DCPKLEHBHNUNKH-WCBMZHEXSA-N 270.354 1.327 0 50 CDAA COc1cccc(CN[C@H]2CCN(c3ccccn3)C2)n1 191475339 DYKBHKYBQNKDQX-AWEZNQCLSA-N 284.363 1.854 0 50 CDAA C[C@H](NC(=O)c1ccc(C(=O)O)o1)C1CCOCC1 193824319 CIKCCWDNLXCULQ-QMMMGPOBSA-N 267.281 1.523 0 50 CDAA CCn1c(C)nnc1CN1CCC[C@@H](c2nc(C)no2)C1 195100447 RUHJLYKFPVLIHL-GFCCVEGCSA-N 290.371 1.677 0 50 CDAA O=c1cccnn1Cc1ncc(Cl)cc1Cl 195421861 ZYGRONTVBBHPLH-UHFFFAOYSA-N 256.092 1.993 0 50 CDAA Cc1cc(N2CCC(O)(CN)CC2)c2cccc(F)c2n1 580174212 VDVAAGWTIWORHC-UHFFFAOYSA-N 289.354 1.972 0 50 CDAA CC(=O)Nc1cnn(CC(=O)N2c3ccccc3C[C@H]2C)c1 582976509 XRJCYIVQOJRZNG-LLVKDONJSA-N 298.346 1.819 0 50 CDAA CCn1ncnc1CN1CC[C@@H](c2nc(C3CC3)no2)C1 583619828 MGNQBZRCQSFRFC-LLVKDONJSA-N 288.355 1.548 0 50 CDAA C[C@H](CC(=O)N[C@@H]1CCNC1=O)Cc1cccc(F)c1 585113012 VMHRHCZKVBUGDR-GXFFZTMASA-N 278.327 1.399 0 50 CDAA Cc1nn(CCNc2cc(C(N)=O)ccn2)c(C)c1C 1506409461 XTBBXOMVQZCZKD-UHFFFAOYSA-N 273.340 1.414 0 50 CDAA CCn1nc(-c2ncnn2-c2cnn(C)c2)cc1C 1857677606 JLFIQUFODMMNCH-UHFFFAOYSA-N 257.301 1.193 0 50 CDAA C[C@@H](O)CN(C)C(=O)[C@@H](O)C1CCCCCCC1 820002092 HUBXTGLZNUPUEB-YPMHNXCESA-N 257.374 1.547 0 50 CDAA CC[C@](C)(CN1CCN(C)[C@H](c2nc(C)no2)C1)OC 606446218 KZLHBBVCVHZNEE-GXTWGEPZSA-N 282.388 1.482 0 50 CDAA CCc1nccc(CN(C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)n1 1704298511 ILLBUXZPKAICBJ-MBNYWOFBSA-N 288.395 1.386 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1cccc3[nH]ccc13)C2 1704326790 MVBANWOCVSIYIL-OLZOCXBDSA-N 285.347 1.115 0 50 CDAA CC(C)[C@H]1CN(C(=O)Nc2ccnnc2)CCO1 333916578 ZUVQMNVTHDTOLR-LLVKDONJSA-N 250.302 1.365 0 50 CDAA C1CCN(C2CCN(CC[C@H]3COCCO3)CC2)C1 1800411551 LEQJNNPYGBNBHQ-HNNXBMFYSA-N 268.401 1.352 0 50 CDAA Cc1ncccc1C(=O)N1CCO[C@H](COC(C)C)C1 372188945 UNVDPSCONJKWKP-ZDUSSCGKSA-N 278.352 1.656 0 50 CDAA C[C@H](CNC(=O)Nc1ccc(F)cn1)CN(C)C 585086509 VZUBXPLHJHBHSY-SECBINFHSA-N 254.309 1.540 0 50 CDAA Cc1cc(F)c(C(=O)N2CCN[C@@H](CCO)C2)cc1F 1616041368 QDWYLLSBYRGSTA-JTQLQIEISA-N 284.306 1.070 0 50 CDAA CCCCNC(=O)CCNS(=O)(=O)c1ccccc1 12865750 GSDTUCPCYHNQCI-UHFFFAOYSA-N 284.381 1.271 0 50 CDAA COc1cnc(C)cc1C(=O)N1CC[C@H](c2cc[nH]n2)C1 1857671049 NHPZBJXPXPALGA-NSHDSACASA-N 286.335 1.751 0 50 CDAA CC(=O)c1ccc(OC[C@@H](O)CNC(C)C)cc1 195591 LXTVJPGACWPWOL-ZDUSSCGKSA-N 251.326 1.627 0 50 CDAA in-vitro O=C1CC[C@H](C(=O)NC[C@@H]2CCC[C@H]2O)n2cccc21 333259825 FZEYKJNDRNAHEQ-CYZMBNFOSA-N 276.336 1.283 0 50 CDAA COc1nc(C)cc(N2CC[C@]3(CCCN(C)C3)C2)n1 338748462 WAGJJHHABGOYMC-HNNXBMFYSA-N 276.384 1.716 0 50 CDAA O=C(O)CCN1CCC[C@H](CNC(=O)c2ccccc2)C1 262429520 ODFALIBJPVDWOB-CYBMUJFWSA-N 290.363 1.603 0 50 CDAA COc1nc(C)nc(N2CCC[C@@H](NC(C)=O)C2)c1C 159340223 NXRPSLYSJBMFMW-GFCCVEGCSA-N 278.356 1.207 0 50 CDAA COc1cnc(F)c(NC(=O)[C@H](C)OC[C@H]2CCCO2)c1 585128544 FCENZMFYDXVHQX-VHSXEESVSA-N 298.314 1.752 0 50 CDAA CCC1(CC)[C@@H](NC(=O)c2cc(CO)on2)C[C@H]1OC 585135449 KKPXWKQRVOOUFD-NWDGAFQWSA-N 282.340 1.490 0 50 CDAA C[C@H](CNC(=O)c1cccc([C@H]2CCOC2)c1)C(=O)O 263301894 DJWHIKPRRPGXDV-MFKMUULPSA-N 277.320 1.641 0 50 CDAA Cn1ccnc1CN1CCC[C@@]2(CCc3cnc(N)nc32)C1 1704331730 UIHUSDRTDCDDGJ-MRXNPFEDSA-N 298.394 1.272 0 50 CDAA CN(CCc1ccccn1)CC1COCCOC1 1775976865 AQQXUTKJAVLBMD-UHFFFAOYSA-N 250.342 1.219 0 50 CDAA O=C1CN(C(=O)CCCOc2ccccc2)CCCN1 20998277 ZXDCJHPYIHSSCL-UHFFFAOYSA-N 276.336 1.194 0 50 CDAA CCc1nc(CN2CC[C@@H](CN3CCOCC3)C2)cs1 129455797 HLSJMXFTAGUYOC-ZDUSSCGKSA-N 295.452 1.860 0 50 CDAA Cc1cc(C(F)(F)F)nc(N(C)CCC(=O)O)n1 263435570 VDRTXNXFVMHYRE-UHFFFAOYSA-N 263.219 1.715 0 50 CDAA Cn1cc(Cl)cc1C(=O)NC[C@@](C)(O)C(F)(F)F 270840914 FBQDBQBMQPOISO-SECBINFHSA-N 284.665 1.722 0 50 CDAA CN(Cc1ncccc1Cl)C[C@@H]1CCS(=O)(=O)C1 528387308 MOSHDWRCRXDPTN-JTQLQIEISA-N 288.800 1.602 0 50 CDAA N=c1[nH]cc(C(=O)N2CCCC[C@@H]2CC(=O)O)s1 426371210 UEROSEZXIKTNCB-SSDOTTSWSA-N 269.326 1.025 0 50 CDAA CCc1nccn1CCCNC(=O)[C@H]1CCCNCC1 534670112 ARJKCDNTKKUXRM-ZDUSSCGKSA-N 278.400 1.342 0 50 CDAA CCc1cnc(N)nc1N1CCC[C@](O)(CC)C1 95372128 NMOJZCGIQWUJJA-CYBMUJFWSA-N 250.346 1.363 0 50 CDAA CO[C@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)C1 656475252 QBUVDOSKZKBGGX-OLZOCXBDSA-N 277.320 1.816 0 50 CDAA Cn1nc(C(=O)N2CCNCC2(C)C)cc1C(F)F 911846456 GJOPFCAWUVJLHF-UHFFFAOYSA-N 272.299 1.182 0 50 CDAA CC1(C(=O)O)CCN(S(=O)(=O)CC2CCC2)CC1 395539696 LOKNAOPOGFYFKD-UHFFFAOYSA-N 275.370 1.303 0 50 CDAA Cn1cnc2c[nH]c(=NC[C@H]3COc4ccccc4O3)nc21 2100477125 IBFFORFMAKFELU-JTQLQIEISA-N 297.318 1.037 0 50 CDAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccnc1 114918 LDTUCIOTTPQKIW-UHFFFAOYSA-N 295.298 1.706 0 50 CDAA O=C(NCc1cccs1)c1nc2ncccn2n1 338918 TVFCEYOICRQJFG-UHFFFAOYSA-N 259.294 1.116 0 50 CDAA CCOC(=O)c1c(NC(=O)C(C)C)sc(C(N)=O)c1C 433110 MKSUVJCQGDCSKB-UHFFFAOYSA-N 298.364 1.927 0 50 CDAA Cc1cc(S(N)(=O)=O)ccc1Br 2243430 KRUSKWRPOCHSGC-UHFFFAOYSA-N 250.117 1.405 0 50 CDAA in-vitro Cc1c(Cl)cccc1NC(=O)C(=O)NCCN(C)C 2352411 PATGIIZLCKRLJT-UHFFFAOYSA-N 283.759 1.265 0 50 CDAA COc1cccc([C@@H](O)CNC(=O)Cc2cccs2)n1 2356146178 VPGOPWQTINCFLL-LBPRGKRZSA-N 292.360 1.544 0 50 CDAA CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c(C=O)c2c1 3672897 KBNBTTCUQKBXKB-UHFFFAOYSA-N 286.740 1.884 0 50 CDAA O=C(O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 3913139 LUZTXPDVLZQZLJ-NXEZZACHSA-N 271.272 1.840 0 50 CDAA O=C(CCn1c(=O)oc2ccccc21)NC1=NCCS1 4143802 WOZJKNCFIBIRNS-UHFFFAOYSA-N 291.332 1.204 0 50 CDAA CN(C)CCNC(=O)c1ccc(Br)s1 4805275 DRINQSOIXCNISE-UHFFFAOYSA-N 277.187 1.802 0 50 CDAA COc1ccc(F)cc1S(=O)(=O)n1ccnc1C 6485597 MDGBRGWMEVSUDG-UHFFFAOYSA-N 270.285 1.576 0 50 CDAA C[C@H]1CCc2c(sc(NC(=O)CN(C)C)c2C(N)=O)C1 6726975 CYJNPMLOLNHEAK-QMMMGPOBSA-N 295.408 1.472 0 50 CDAA COc1ccc(NC(=O)C[C@H](C)n2cncn2)cc1 7616320 BKEACHBIJRZAEX-JTQLQIEISA-N 260.297 1.877 0 50 CDAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ncn[nH]1 10272161 NWJUJUSYNRVCNH-JTQLQIEISA-N 276.252 1.103 0 50 CDAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 55422117 DRKLBFYJRQBDRP-CYBMUJFWSA-N 294.326 1.079 0 50 CDAA CCN1CCN(C[C@@H](O)COc2ccc(C)cc2)CC1 20707241 XESYSLHPNHXOGU-OAHLLOKOSA-N 278.396 1.372 0 50 CDAA Cn1ccnc1CN1CCC[C@@H](c2nnc3ccccn23)C1 172556742 ZLPJAPCWVWAAMF-CYBMUJFWSA-N 296.378 1.842 0 50 CDAA CN(C)CCN[C@H]1CCN(C(=O)OC(C)(C)C)C1 22798655 QXXLESWYFDJPFJ-NSHDSACASA-N 257.378 1.147 0 50 CDAA CCc1cnc(C)nc1NCCNc1nc(C)cc(=O)[nH]1 65394729 RDIWBQAXHKRGNN-UHFFFAOYSA-N 288.355 1.263 0 50 CDAA CC[C@H]1CCCCN1C(=O)[C@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1 408048183 LQVIFGSXPVRSBB-ZOBORPQBSA-N 295.427 1.219 0 50 CDAA CCCCNC(=O)c1cnc2sc(C)c(C)n2c1=O 23119873 RKYGSFVLOPFGFO-UHFFFAOYSA-N 279.365 1.903 0 50 CDAA COc1ccc(CN2CC[C@@H](OC)C2)cc1C(=O)O 300096986 KWMDYWRSFPUAKK-LLVKDONJSA-N 265.309 1.614 0 50 CDAA CC[C@H](CO)N(Cc1ccccn1)C(=O)Cc1cccnc1 65420093 GRUUNEOZRJNGIE-MRXNPFEDSA-N 299.374 1.819 0 50 CDAA CC(C)CN1CCC[C@H](CNC(=O)c2ccc[nH]c2=O)C1 67649644 SPBWUIRTXSOPAI-CYBMUJFWSA-N 291.395 1.473 0 50 CDAA COCCN1CC[C@@H](CNC(=O)c2cc(Cl)c[nH]2)C1 68494527 OBGIWXPSOWXUSV-JTQLQIEISA-N 285.775 1.366 0 50 CDAA CCN(C)c1ccc(C(=O)NC[C@@H]2CN=C(O)O2)cc1 328589591 SGXDSHBHSYJNFP-GFCCVEGCSA-N 277.324 1.185 0 50 CDAA Cc1ccc(CN(CC2CC2)C[C@H]2CN(C)CCO2)nc1 328646147 SKRBIQJFRJXSOB-QGZVFWFLSA-N 289.423 1.933 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(C(=O)C[C@H]2C=CCC2)CCO1 328642420 QZYZCXDILAFWIF-GOEBONIOSA-N 292.423 1.912 0 50 CDAA OCC(CO)N1CCC[C@H]1c1nc(-c2ccccc2)no1 65382106 BVJRTLPEQQGZRI-ZDUSSCGKSA-N 289.335 1.227 0 50 CDAA Cn1cnnc1[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 328628935 OFBUGMNPBWPMFO-CYBMUJFWSA-N 290.367 1.606 0 50 CDAA C[C@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H]1c1ncc[nH]1 329367940 LDUZDJSXBMJPMY-FRRDWIJNSA-N 276.384 1.946 0 50 CDAA CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccnnc1 219260406 OXRCEMMAZGHKIZ-UHFFFAOYSA-N 296.290 1.194 0 50 CDAA FC(F)(F)CCc1ccnc(N2C[C@@H]3CNC[C@@H]3C2)n1 71682081 OKQWYLKVAGLKBK-AOOOYVTPSA-N 286.301 1.627 0 50 CDAA O=C(CN1CCC[C@@H](O)C1)N(Cc1ccncc1)C1CC1 219519829 HKPRXJMGBOQLCZ-OAHLLOKOSA-N 289.379 1.029 0 50 CDAA CN(C)C(=O)c1cccc(CN2CC[C@@H](CC(N)=O)C2)c1 367984005 SDPWUOYAJBQKIM-ZDUSSCGKSA-N 289.379 1.086 0 50 CDAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CC[C@H](C)O2)cn1 331698074 ZNFCKSDDWAOCKQ-SCUASFONSA-N 293.367 1.417 0 50 CDAA CN(C(=O)Cn1ccc(-c2nccs2)n1)C1CC1 333041558 ONCPKKCFUAVIDK-UHFFFAOYSA-N 262.338 1.627 0 50 CDAA Cc1nnc(CN(C)C(=O)c2c(C)noc2C)o1 215624041 OZMDXFSYZBABBG-UHFFFAOYSA-N 250.258 1.255 0 50 CDAA OC[C@@H]1CCC[C@H](CN=c2cc(NCC3CC3)nc[nH]2)C1 340975223 SJMMPYXCNDSJFQ-UONOGXRCSA-N 290.411 1.931 0 50 CDAA CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CCCN(C)C2)C1 334292909 OWNYRONVDUCCKO-DOTOQJQBSA-N 293.455 1.805 0 50 CDAA Cc1nc(CNC(=O)Cc2ccc(O)c(Cl)c2)n[nH]1 215024826 HEIQUPFVNKCDQT-UHFFFAOYSA-N 280.715 1.331 0 50 CDAA Cc1cc([C@H]2CN(C(=O)[C@@H]3CCCN3)CCO2)ccc1F 237878596 CVFLWNWQJYWYBW-LSDHHAIUSA-N 292.354 1.786 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)COCc2ccccc2Cl)C1 237957188 LWXHBKDHDFUKED-JTQLQIEISA-N 297.738 1.790 0 50 CDAA CCc1ccc(-c2nccn2CCCc2nnn[nH]2)o1 72165144 BHHZSOUJVIBFGW-UHFFFAOYSA-N 272.312 1.851 0 50 CDAA CC(C)n1cnnc1CCNC(=O)c1ccncc1Cl 73082338 RPDZSWQQBBJISG-UHFFFAOYSA-N 293.758 1.880 0 50 CDAA CN(CCc1ccncc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 215287235 WWNKODOBFRVXEO-ZDUSSCGKSA-N 294.376 1.031 0 50 CDAA CC[C@H]1CN(CCCN2CCN(C(C)C)CC2)C[C@H]1O 337313528 HCFBTYSCDLPTLE-JKSUJKDBSA-N 283.460 1.105 0 50 CDAA CC(C)CNC(=O)COc1ccc(-c2ncn(C)n2)cc1 241135476 JPPHCMGWDIDVBG-UHFFFAOYSA-N 288.351 1.633 0 50 CDAA c1ccc(Cc2nnnn2Cc2ccccn2)nc1 338555757 XASYIGSKSUNJMF-UHFFFAOYSA-N 252.281 1.102 0 50 CDAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)Cc1ccccc1 131752813 CLDFDRABCLSAAF-AAEUAGOBSA-N 268.382 1.328 0 50 CDAA O[C@]1(CNCCSCc2ccccc2)CCCNC1 77517677 LVKQKCLMDFSJNP-OAHLLOKOSA-N 280.437 1.624 0 50 CDAA Cc1cc(Br)c(S(N)(=O)=O)cc1C 40538346 AGVUXTAYRNOXNR-UHFFFAOYSA-N 264.144 1.713 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cc(F)cc3nccnc23)C1 178985668 GTSQEOKIYCCFHC-SNVBAGLBSA-N 288.326 1.450 0 50 CDAA O[C@@H]1CCC2CC[C@@H](O)C21CCC1OCCCO1 45072156 PWIBOKKYXYNKKE-CBKZZEEASA-N 256.342 1.442 0 50 CDAA CSCCCN=c1cc([C@@H]2CCOC2)nc(C)[nH]1 426589982 NEHYBSUUFTUTLK-LLVKDONJSA-N 267.398 1.876 0 50 CDAA O=C(NCCc1cnn[nH]1)c1csc(-c2ccccc2)n1 426369381 RJJYTPHESBDDDF-UHFFFAOYSA-N 299.359 1.901 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(F)F)[nH]n1)C2 426537476 LDKXAJPKKUZROF-VROVMSAKSA-N 285.294 1.844 0 50 CDAA CCC[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1N(C)C 82109404 LFCHFFBFGRPLMH-ZIAGYGMSSA-N 291.395 1.037 0 50 CDAA CCCCn1nc(CC(N)=O)nc1-c1ccnc(NC)c1 96164211 NCTYKDVPAMARFL-UHFFFAOYSA-N 288.355 1.210 0 50 CDAA CNC(=O)C[C@H](C)N(C)C(=O)Nc1c(C)cccc1OC 95505074 QZMWZBPSHVHCGY-NSHDSACASA-N 293.367 1.992 0 50 CDAA COc1cccc(S(=O)(=O)N2C[C@@H](C)[C@@](C)(O)C2)c1 91444657 ZATLLXJXTUDAJU-MFKMUULPSA-N 285.365 1.087 0 50 CDAA CCCN(Cc1nccn1C)C(=O)CCc1cn[nH]c1 97600986 GTHCZOKRLDTZLH-UHFFFAOYSA-N 275.356 1.515 0 50 CDAA COc1ccc2c(C(=O)NCCCO)cc(C)nc2c1 426470765 AUXCGZDZWXPNFA-UHFFFAOYSA-N 274.320 1.664 0 50 CDAA CCc1cnc(N2CCC[C@H](CCC(N)=O)C2)nc1 95387263 VQNHBBDDHBHZCA-GFCCVEGCSA-N 262.357 1.521 0 50 CDAA CC[C@@H](C(=O)N(C)CCCc1cnn(C)c1)n1cccn1 91586820 IAEWCOZPXRGHGP-AWEZNQCLSA-N 289.383 1.659 0 50 CDAA Brc1[nH]ncc1I 230504596 GCXJYBLZNXJFHY-UHFFFAOYSA-N 272.871 1.777 0 50 CDAA CCc1n(CCCCCn2cc[n+](C)c2CC)cc[n+]1C 526051555 OYIKCMDJMQKGQJ-UHFFFAOYSA-N 290.455 1.934 0 50 CDAA CCCCC(=O)N1C[C@H](NC(=O)c2ocnc2C)C[C@@H]1C 1370848847 IITYWSWHNPQKGR-CMPLNLGQSA-N 293.367 1.892 0 50 CDAA C[C@@H]1CN(CC2CCN([C@H](C)C(=O)O)CC2)C[C@@H](C)O1 299742282 AYTGETIPXZBJQM-JHJVBQTASA-N 284.400 1.281 0 50 CDAA Cc1ccc2nc(CN3CC[C@H](N)C3)cc(O)c2c1 253537074 WLZZFAOODZBALR-NSHDSACASA-N 257.337 1.782 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)N[C@@H]2CCCNC2=O)cc1 534661166 UCXDIJBQFCNZIP-CYBMUJFWSA-N 289.379 1.580 0 50 CDAA Cc1ccc(-c2nc(CC(N)=O)nn2CC(F)(F)F)cn1 826842263 OQRCNWPOCOGMFB-UHFFFAOYSA-N 299.256 1.239 0 50 CDAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)NC2CC2)C[C@@H](C)O1 585145914 RKZRMJFXCCLJBQ-YRGRVCCFSA-N 281.400 1.432 0 50 CDAA Cc1nc(CN2CCOCC2)n(-c2ccc(F)cc2F)n1 826574362 TZNNVXMZRJPPHD-UHFFFAOYSA-N 294.305 1.686 0 50 CDAA Cc1cc(=O)c(C(=O)N(C)C[C@@H]2CCCN(C)C2)cn1C 584899082 UNZYWYXUKPHZKJ-CYBMUJFWSA-N 291.395 1.108 0 50 CDAA CNC(=O)C[C@@H]1CCN(Cc2ccc(N(C)C)nc2)C1 670438039 OQLBLLYHZMCKKJ-LBPRGKRZSA-N 276.384 1.106 0 50 CDAA CCOC(=O)N1CC[C@@H](NCCCn2ccccc2=O)C1 670461662 VQAPRTWOVLUIBD-CYBMUJFWSA-N 293.367 1.059 0 50 CDAA CC(C)Cc1cc(N2CCc3c(O)ncnc3C2)ncn1 865670807 HLKNAJDPOHBBAP-UHFFFAOYSA-N 285.351 1.733 0 50 CDAA CCCc1nc(N2CCC3(CCNC(=O)CC3)CC2)no1 670453426 GDTVUJUQFKXDPA-UHFFFAOYSA-N 292.383 1.909 0 50 CDAA CC(C)c1nnc(N2CCN(Cc3cnn(C)c3)CC2)o1 872446936 WPCSWXDHUSBGKK-UHFFFAOYSA-N 290.371 1.249 0 50 CDAA CCC1(CO)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875293857 FWEYFTOGCUXHEZ-VHSXEESVSA-N 293.367 1.276 0 50 CDAA CN(C)c1nc2ccccc2c(=N[C@H]2C[C@@](C)(O)C2)[nH]1 1875286916 MYZHMMLUXUYUEP-AVCCJPFPSA-N 272.352 1.443 0 50 CDAA O=C(N[C@@H]1CCC[C@@H]2CNC[C@@H]21)c1nc[nH]c2nccc1-2 1875292493 JZOZIAQQEXWJMM-ADEWGFFLSA-N 285.351 1.027 0 50 CDAA O=C1CCC[C@@H](COC(=O)c2ccc3nc[nH]c3c2)N1 1875270337 GYTKGKIKCSFEFT-JTQLQIEISA-N 273.292 1.388 0 50 CDAA C[C@@H](NC(=O)[C@H]1CNCC12CCCCC2)C(C)(C)N 1875328543 XRAKTJNEOCAIDA-VXGBXAGGSA-N 267.417 1.398 0 50 CDAA O=C(O)CN1CCC[C@H](NCc2cc(C3CCC3)on2)C1 1875317488 ZDJSELNWSLKILM-LBPRGKRZSA-N 293.367 1.581 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H](C)Oc1ccccc1Cl 1875311571 FNDJVHYYSLXRSH-VHODGJRUSA-N 297.738 1.953 0 50 CDAA CCN(C)C[C@H]1CCN(C(=O)N[C@H](C)c2cn[nH]c2)C1 270377595 VDQXQGUMPCRGIG-VXGBXAGGSA-N 279.388 1.454 0 50 CDAA N[C@@H](C1CCCC1)C1(O)CCC2(CC1)OCCO2 958528765 UNZCJNOIBVYWSB-LBPRGKRZSA-N 255.358 1.552 0 50 CDAA Cc1cc(C(=O)N2CC(N3CCCC[C@H]3C)C2)nc(C)n1 952989541 QZDONZAMNOKSRZ-GFCCVEGCSA-N 288.395 1.792 0 50 CDAA COc1ncccc1CN(CCN(C)C)C[C@H]1CCCO1 952975824 XOZZVHBLZMOOBZ-OAHLLOKOSA-N 293.411 1.633 0 50 CDAA CCC1CCN(S(=O)(=O)N2CC(c3ncc[nH]3)C2)CC1 1775991084 PCUMENFYCWMFFZ-UHFFFAOYSA-N 298.412 1.176 0 50 CDAA CS(=O)(=O)NC1(c2ccc(Br)cc2)CC1 48277601 VVZIDWYAQQBIAN-UHFFFAOYSA-N 290.182 1.987 0 50 CDAA in-vitro OCCN1CCN(Cc2ccc3ccccc3c2)CC1 19606771 GUIYHSGMULUPEN-UHFFFAOYSA-N 270.376 1.950 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2c[nH]nc2C(C)(C)C)no1 1466194017 SNAHTAKSBGKAHO-ZETCQYMHSA-N 277.328 1.890 0 50 CDAA OCc1ccnc(N2CCC(OC3CCCC3)CC2)n1 546634886 HLLVZWOAKLXRJJ-UHFFFAOYSA-N 277.368 1.897 0 50 CDAA CC1(C)CCCC[C@H]1NC(=O)c1cccn2c(=O)[nH]nc12 272778818 UPFJYQBDXFRCHL-LLVKDONJSA-N 288.351 1.721 0 50 CDAA COc1ccc2c(n1)N(C(=O)Cc1cn(C)nc1C)CC2 584825447 WBIVXUJJNMJOJP-UHFFFAOYSA-N 286.335 1.264 0 50 CDAA O=S(=O)(Cc1cccc(F)c1)N1C[C@@H]2CC[C@H](C1)N2 631971374 KTHYORDHPNTNRF-BETUJISGSA-N 284.356 1.092 0 50 CDAA C/C=C(\C)C(=O)N(CCC(=O)O)C1CCOCC1 584908400 MQABDJSHVASHAE-XCVCLJGOSA-N 255.314 1.435 0 50 CDAA CC[C@@H]1C(=O)NCCN1Cc1ccc2oncc2c1 585117716 UKKCIIIQDZHTJL-GFCCVEGCSA-N 259.309 1.538 0 50 CDAA Cc1cc(S(=O)(=O)N[C@H]2CCCN(C)C2)sc1C 170591576 QKRLJHARMJKHGH-NSHDSACASA-N 288.438 1.737 0 50 CDAA CCOC(=O)CC1(F)CN(C(=O)OC(C)(C)C)C1 95740507 VNQGDAJWTASOMT-UHFFFAOYSA-N 261.293 1.899 0 50 CDAA in-vitro Cc1nsc(NC[C@H](O)CN2CCCCC2)n1 301350008 IOVJVIYUEAMLIO-JTQLQIEISA-N 256.375 1.105 0 50 CDAA CCc1cnc(CC(=O)N2CC(C)(C)[C@@H]2[C@H]2CCCO2)[nH]1 635939546 PXHQEMYFFNADGT-DOMZBBRYSA-N 291.395 1.931 0 50 CDAA Cn1c(CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)nnc1C1CC1 408335500 VMUMKAVELDJUTG-UEKVPHQBSA-N 290.367 1.266 0 50 CDAA CCSCCN1CC[C@@](C(N)=O)(c2ccccc2)C1 411959283 CXSNFELNKOZYTF-HNNXBMFYSA-N 278.421 1.869 0 50 CDAA COCCc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)n(C)n1 189528971 JNIYVFMKYWBWAR-PWSUYJOCSA-N 281.356 1.363 0 50 CDAA O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 659244707 NAVHACGMAHPGKV-UXNKAZPWSA-N 263.337 1.648 0 50 CDAA Cn1nc(C(=O)NCC(C)(C)c2cccc(F)c2)cc1O 668887731 BAZAKRVLYINHPF-UHFFFAOYSA-N 291.326 1.972 0 50 CDAA CO[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1 578835855 WWJRLWDLOBGLIQ-PDWCTOEPSA-N 294.395 1.304 0 50 CDAA CSCCC(=O)N1C[C@@H](O)[C@H](Cc2cc(C)no2)C1 1529141953 ARUWXWXBZQBIEE-ZYHUDNBSSA-N 284.381 1.098 0 50 CDAA CN(C)c1ccc(NC(=O)CCCC(=O)O)cc1 213865 SXPSERKKWCGVDF-UHFFFAOYSA-N 250.298 1.946 0 50 CDAA COc1ccc(Br)cc1[C@H](N)C(=O)O 3676796 GCRUCIXWROVKQR-QMMMGPOBSA-N 260.087 1.542 0 50 CDAA biogenic,in-vitro CN(CC(=O)O)C(=O)[C@H]1SCCc2ccccc21 237155857 HBMDZYKFLCXSRC-LBPRGKRZSA-N 265.334 1.560 0 50 CDAA NS(=O)(=O)c1cc(Cl)cc(Br)c1 238618078 JGIJYZFOWSNYFA-UHFFFAOYSA-N 270.535 1.750 0 50 CDAA in-vitro O=C(O)c1ccc(N2CCC[C@]3(CCC[C@H]3O)C2)nc1 1704299309 QEVXEKUDPQBHRZ-IUODEOHRSA-N 276.336 1.911 0 50 CDAA C[C@@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1O 584907475 DORRAJSJCALZIB-WDEREUQCSA-N 271.357 1.783 0 50 CDAA O=S(=O)([C@@H]1C[C@@H]1c1ccccc1)N1C[C@H](F)C[C@@H]1CO 1615207909 JCKNWFUWEZBBKK-AAVRWANBSA-N 299.367 1.277 0 50 CDAA Cn1cnc(C(=O)N[C@H]2CCCCCC[C@@H]2O)c1 1857680533 KMZWLKHYDMMMGQ-JQWIXIFHSA-N 251.330 1.234 0 50 CDAA CCc1nnc(NC(=O)c2ncoc2CC)s1 265680089 BQWTUBZUPQOZHG-UHFFFAOYSA-N 252.299 1.903 0 50 CDAA C[C@H](C(=O)O)N(c1ccc(Cl)cc1)S(C)(=O)=O 5050854 ZCQASZURWSOPHS-SSDOTTSWSA-N 277.729 1.579 0 50 CDAA c1cc(CCNc2nc3nonc3nc2NC2CC2)ccn1 12308578 MYXXRHWYVHUKEH-UHFFFAOYSA-N 297.322 1.637 0 50 CDAA CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccccc1 13632631 RDTLFSSXJVSFNF-CHWSQXEVSA-N 269.366 1.611 0 50 CDAA Cc1nn(C)c(C)c1CN(C(=O)[C@H]1CCC(=O)C1)C1CC1 19148076 NXBBWLMIDFTQLK-LBPRGKRZSA-N 289.379 1.897 0 50 CDAA CC1(C)CNC(=O)c2[nH]c3ccc(C(=O)O)cc3c21 200271863 AVBVJDIZMWMUQM-UHFFFAOYSA-N 258.277 1.887 0 50 CDAA COC(=O)C[C@@H](c1c(O)n2ccccc2nc1=O)C(C)C 205973540 JERRXHOVDLDLJM-SNVBAGLBSA-N 290.319 1.703 0 50 CDAA O=C(O)c1csc(CNC(=O)[C@H]2C[C@@H]2c2ccco2)n1 124322485 RRPHTZVGOYLLOT-YUMQZZPRSA-N 292.316 1.854 0 50 CDAA CO[C@]1(C)CCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 329123399 LKRPXGRCWQYIHP-IAQYHMDHSA-N 292.383 1.327 0 50 CDAA COC[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@@H](C)O1 632689255 OFPIXEDTXUXCKK-YPMHNXCESA-N 293.367 1.095 0 50 CDAA Cc1ccc(CCC(=O)N2CCO[C@@H](C(=O)O)C2)c(C)c1 237676857 YQEONLUUOAOWPO-CQSZACIVSA-N 291.347 1.548 0 50 CDAA CC(C)C(=O)N[C@@H]1CCCN(CCOC[C@H]2CCCO2)C1 245289732 DSVMEOMJTYDWEQ-HUUCEWRRSA-N 298.427 1.419 0 50 CDAA O=C1NCCN1C1CCN(Cc2cc(F)cc(F)c2)CC1 156615667 DXRBKTJAJVSCLY-UHFFFAOYSA-N 295.333 1.954 0 50 CDAA C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)O)n1cccn1 261866147 GNLIBLXRBHMBKN-SMDDNHRTSA-N 299.330 1.655 0 50 CDAA Cc1[nH]nc2c1CCCN2CCO[C@H]1CCOC1 934313897 SVBNYERCQFZUBK-NSHDSACASA-N 251.330 1.276 0 50 CDAA CN(C)CCNC(=O)c1c(F)c(F)c(F)c(F)c1F 2369534 DRQQLRSUWLWAQD-UHFFFAOYSA-N 282.212 1.674 0 50 CDAA COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 2871935 FTSRQTLEEZDUGD-ZDUSSCGKSA-N 297.376 1.711 0 50 CDAA CN1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 4011475 BWORWCZZSVXPTI-UHFFFAOYSA-N 277.412 1.912 0 50 CDAA COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)O 252446370 SKIZRNPXFYSETD-WHGOUJPWSA-N 281.283 1.732 0 50 CDAA O=C(CNc1ccccc1)N1C[C@@H]2CCC[C@H](C1)C2O 253431557 HKTMLMWVJLFWAB-OCZCAGDBSA-N 274.364 1.718 0 50 CDAA C[C@@H]1CC[C@H](C(=O)NCCc2ccc(C(=O)O)cc2)O1 155475102 VXVGPUJGLYKCHS-ZWNOBZJWSA-N 277.320 1.611 0 50 CDAA C[C@@]1(N)CCCC[C@H]1C(=O)NCc1ccc(F)cn1 263222612 MERXFJOGQNIJHV-GXTWGEPZSA-N 265.332 1.745 0 50 CDAA CSCC[C@H](NC(=O)c1ccn(C(C)C)n1)C(=O)O 426382584 BGEBWCISYUSSMA-JTQLQIEISA-N 285.369 1.400 0 50 CDAA Cc1nnc(CN2CCC(CCC(=O)O)CC2)s1 534578547 ZNXBITFCAKTGGJ-UHFFFAOYSA-N 269.370 1.923 0 50 CDAA c1nc(N2CCC[C@@H]3CNCC[C@@H]32)c2cc[nH]c2n1 634812544 KVSLTXDRCWEZFY-PWSUYJOCSA-N 257.341 1.536 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1ccncc1Cl 643878415 STSQVEIAWKTTHX-CYBMUJFWSA-N 284.743 1.801 0 50 CDAA CC(C)NS(=O)(=O)N1CCC[C@H]1c1cccnc1 361066670 LBCHSKRZCHNAAQ-LBPRGKRZSA-N 269.370 1.461 0 50 CDAA COCC1(CNC(=O)c2ccc(CCN)cc2)CCC1 380667008 VHWOXBNZARBOTO-UHFFFAOYSA-N 276.380 1.734 0 50 CDAA CCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)N(CC)C1=O 621445 MHIPKFRSNPMULA-GFCCVEGCSA-N 295.383 1.498 0 50 CDAA CS(=O)(=O)c1ccc(-c2cnc3cnccn23)cc1 2100556664 OHOOTOUOOWWWEJ-UHFFFAOYSA-N 273.317 1.800 0 50 CDAA C[C@@H](CC(=O)O)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 630131695 JGHZSNCUCPEIIL-INTQDDNPSA-N 255.314 1.029 0 50 CDAA CC[C@@H](C)[C@H](O)CNC(=O)c1nc(C)[nH]c2nccc1-2 2325784857 OOEWAGDBLXHMDO-LDYMZIIASA-N 276.340 1.355 0 50 CDAA Cc1cnc(N2CC(N3CCC(CCO)CC3)C2)nc1 2325808010 SVHINMPCBCBXED-UHFFFAOYSA-N 276.384 1.068 0 50 CDAA O=C(Nn1cccc1)c1cccc(C2(c3nn[nH]n3)CC2)c1 2325821343 HDEOOAIZZASYKN-UHFFFAOYSA-N 294.318 1.465 0 50 CDAA O=Cc1ccc(OCC(=O)Nc2ccccn2)cc1 55059 MBUHKGWMCRLFTD-UHFFFAOYSA-N 256.261 1.912 0 50 CDAA CCCn1cnc2c(cnn2-c2ccccc2)c1=O 82515 NQGDCSGEDXRVHV-UHFFFAOYSA-N 254.293 1.992 0 50 CDAA CCOC(=O)c1sc2ncn(C)c(=O)c2c1C 98298 GCIKYDREPOYNKR-UHFFFAOYSA-N 252.295 1.480 0 50 CDAA S=C(Nc1ccccc1)N1CCN(c2ncccn2)CC1 192547 YGICDTRGACFXCD-UHFFFAOYSA-N 299.403 1.996 0 50 CDAA CCOC(=O)c1nc[nH]c1C(=O)Nc1ccccn1 275675 NLPHFAQEHGHOLE-UHFFFAOYSA-N 260.253 1.234 0 50 CDAA CCC(=O)NC(=S)Nc1cc(OC)ccc1OC 358654 WMEZIIJBHPZLIX-UHFFFAOYSA-N 268.338 1.927 0 50 CDAA COc1ccc(NC(=S)N2CCC(O)CC2)c(OC)c1 472360 VHXHFIYVYLKJFW-UHFFFAOYSA-N 296.392 1.857 0 50 CDAA OCCNc1ncnc2ccc(Br)cc12 1778622 BUYXDOBAKHYWFG-UHFFFAOYSA-N 268.114 1.797 0 50 CDAA O=C1Nc2cc(Cl)ccc2C(=O)N2CCC[C@H]12 1860077 PUERSVHFINIUMP-SNVBAGLBSA-N 250.685 1.897 0 50 CDAA CN1CCC[C@@]2(CCCN2C(=O)c2ccccn2)C1=O 2356153534 KZMXTSOKICRKTQ-OAHLLOKOSA-N 273.336 1.309 0 50 CDAA COCCCNC(=O)C(=O)Nc1cc(C)ccc1OC 2860361 FYKZCIOPLNANFA-UHFFFAOYSA-N 280.324 1.095 0 50 CDAA CCOc1ccccc1OCCCCNCCO 2931303 HXBUEVHJOYGZPJ-UHFFFAOYSA-N 253.342 1.826 0 50 CDAA O=C(O)CCCCCn1c(=O)[nH]c2ccccc2c1=O 2952270 DVGUQZCXAITIRY-UHFFFAOYSA-N 276.292 1.335 0 50 CDAA O=C1Nc2ccccc2/C1=C/N[C@H]1CCCCNC1=O 3877201 IOSDZDDUGJLIJJ-FUWURINLSA-N 271.320 1.238 0 50 CDAA CN1CCN(C(=S)Nc2cc(F)cc(F)c2)CC1 4741401 YPSPUUWTLIHELS-UHFFFAOYSA-N 271.336 1.909 0 50 CDAA O=C(Nc1ccc(Br)cn1)[C@H]1CCCO1 4750059 IQODOEOSFMDRCI-MRVPVSSYSA-N 271.114 1.962 0 50 CDAA CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1 9875583 RXMQXNHBFPMDRR-UHFFFAOYSA-N 253.733 1.801 0 50 CDAA CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)[C@H]1CCNC1 247452542 ZXPWLZIIQYCWHW-HBNTYKKESA-N 280.318 1.889 0 50 CDAA c1ccc(CN(Cc2ncc[nH]2)C[C@@H]2CCCO2)nc1 63884581 HACPSGXRZBXFSP-AWEZNQCLSA-N 272.352 1.986 0 50 CDAA CC[C@@H](N)CC(=O)NC[C@@H](c1ccco1)N(C)C 135552072 VDIPEWYFSIOQQJ-MNOVXSKESA-N 253.346 1.126 0 50 CDAA C[C@@H](C(=O)O)n1cc(-c2ccc(C(N)=O)cc2)cn1 67691755 HOQNWSPPVXRRED-QMMMGPOBSA-N 259.265 1.295 0 50 CDAA Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)[C@H]4OC[C@@H](O4)[C@H]23)cc1 113669544 IWMIXZGEYZWXFT-OVKLUEDNSA-N 258.273 1.364 0 50 CDAA CC(C)CS(=O)(=O)NC(=O)[C@H]1CSc2ccccc21 118600308 YQDGGNGUQQAJAL-NSHDSACASA-N 299.417 1.978 0 50 CDAA O=C([C@H]1CCCO1)N(C/C=C/c1ccccc1)CCO 65385394 JRCFKLIIGNINSY-SGJXGLNRSA-N 275.348 1.700 0 50 CDAA C[C@H](c1ccc(Cl)cc1)n1c(CN)n[nH]c1=O 65393440 AQARFKFUPXPAHR-SSDOTTSWSA-N 252.705 1.293 0 50 CDAA Cc1cccnc1[C@H](O)C(=O)N(C)Cc1ccc(O)cc1 328594499 OTBCQSJBBDZMKD-HNNXBMFYSA-N 286.331 1.788 0 50 CDAA CN1CCO[C@H](CN(CC(=N)O)Cc2cccs2)C1 328598108 UFPFGDKOBUCYEU-NSHDSACASA-N 283.397 1.416 0 50 CDAA C[C@H]1OCC[C@@H]1S(=O)(=O)Cc1ncc(C2CC2)o1 328812198 BIVKOVYLRHXQMZ-KCJUWKMLSA-N 271.338 1.644 0 50 CDAA Cc1ccc(C2(O)CCN(c3ncc(F)cn3)CC2)nc1 67935267 DOYIQVYFPFOJPK-UHFFFAOYSA-N 288.326 1.807 0 50 CDAA COc1cc([C@H]2N[C@H](C(=O)O)CS2)cc(Cl)c1O 87612 QCPFZFRUKODSMQ-XVKPBYJWSA-N 289.740 1.842 0 50 CDAA CC(C)=CCC[C@@]1(C)OC(=O)N(n2cnnc2)[C@]1(C)O 74612 RSCFADZELGMIHL-CHWSQXEVSA-N 280.328 1.580 0 50 CDAA COc1ccc(NC(=O)c2ccccc2)cc1-n1cnnn1 36359536 ZOSFZTCLUSDWFI-UHFFFAOYSA-N 295.302 1.923 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1cccnc1 333608700 XRXOPAIFVQAYNW-IGQOVBAYSA-N 268.316 1.779 0 50 CDAA Cc1ccsc1-c1nccn1CCS(C)(=O)=O 72475868 GBBKQMASHKXTCV-UHFFFAOYSA-N 270.379 1.965 0 50 CDAA CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=N)N)C1 34219177 IGEJQPQAAYKGLR-VIFPVBQESA-N 256.350 1.117 0 50 CDAA Cc1c(C(=O)NC[C@H]2CCCC2(C)C)nnn1C 334582291 ALMZPZISRWILFN-SNVBAGLBSA-N 250.346 1.680 0 50 CDAA Cn1c(=O)c(C(=O)NCCN2CCCC2)cc2ccccc21 215409240 FWUQWZFBGRVCAY-UHFFFAOYSA-N 299.374 1.364 0 50 CDAA O=C(N[C@H](CO)Cc1ccccc1)c1n[nH]c2c1CCC2 120446025 QODZWBGLHPDTMV-LBPRGKRZSA-N 285.347 1.232 0 50 CDAA C[C@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1cccnc1 174520659 BSHIXJITHRYPSC-DZGCQCFKSA-N 273.380 1.882 0 50 CDAA COc1cc(F)cc(C[C@H](C)NC(=O)/C=C/CN(C)C)c1 492948198 BGCQYAZSYWQXHM-FYJFLYSWSA-N 294.370 1.999 0 50 CDAA Cc1nccc(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)n1 374816433 FLEZYRVUBBPSFQ-TZMCWYRMSA-N 289.383 1.021 0 50 CDAA O[C@@H](Cn1ccnc1-c1ccncc1)C(F)(F)F 158288559 KVWZGAQPAYGBNK-VIFPVBQESA-N 257.215 1.868 0 50 CDAA CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)O)C3)nn12 31775851 PBXTVAUCZADZTA-SNVBAGLBSA-N 289.339 1.549 0 50 CDAA CCOc1ccc(CN2CC[C@@H](C)[C@H]2CO)nc1 241466152 NVDVKJWJAUQYII-BXUZGUMPSA-N 250.342 1.683 0 50 CDAA CCOCC(=O)N[C@H](Cn1cccn1)c1ccccc1 78143842 HRIHDOAUMXSSPB-CQSZACIVSA-N 273.336 1.777 0 50 CDAA CC(C)c1nnsc1CN1CCC[C@]2(CNC(=O)O2)C1 72158417 GJAJOIGRPJBFNF-ZDUSSCGKSA-N 296.396 1.736 0 50 CDAA NC(=O)c1csc(N2CCO[C@H](C(F)(F)F)C2)n1 71750118 GBMPYHIAOSNNIL-LURJTMIESA-N 281.259 1.010 0 50 CDAA O=C1NC[C@]2(CCCN(Cc3ccncc3)CC2)O1 72166541 WULXJEXDKPUCJU-CQSZACIVSA-N 261.325 1.546 0 50 CDAA Cc1nnc2c3ccccc3c(=N[C@H]3CCCC[C@@H]3O)[nH]n12 343015401 ZZAZYRXOFUXQHK-KBPBESRZSA-N 297.362 1.723 0 50 CDAA CC1(C)OC[C@H]2C[C@]21NCc1ccc(S(C)(=O)=O)cc1 527766975 RLSJENMJPGJIDV-DOMZBBRYSA-N 295.404 1.747 0 50 CDAA COc1cccc2ccn(CCC(=O)NCC(=O)O)c12 40312699 SNZATCRZICTAEB-UHFFFAOYSA-N 276.292 1.241 0 50 CDAA biogenic COC(=O)CCCCC[C@H](OC(C)=O)C(=O)OC 45071178 HVCZHCDCQHPCRX-JTQLQIEISA-N 260.286 1.215 0 50 CDAA CC[C@@H]1NCC[C@@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 289749180 WIUHWBDOTMQHMJ-QWRGUYRKSA-N 289.335 1.344 0 50 CDAA CN(Cc1nc(-c2ccncc2)no1)C(=O)c1cnco1 220326920 XMPVSAGCPNSFMC-UHFFFAOYSA-N 285.263 1.392 0 50 CDAA N[C@@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1O 82097076 GKLXSCGMMZKLNC-VXGBXAGGSA-N 292.276 1.738 0 50 CDAA Cc1nn(C[C@H](C)N2CCCNCC2)c(C)c1Cl 426500107 MUKGNDAPVDARKQ-JTQLQIEISA-N 270.808 1.837 0 50 CDAA Cc1cnc(CN(C)C(=O)CCn2nc(C)c(C)c2C)[nH]1 221332299 NKYKAKAHENOOKV-UHFFFAOYSA-N 289.383 1.889 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CC[C@H](Oc3ccccc3)C2)[nH]1 426646981 FZHGVAKMGHREAR-HNNXBMFYSA-N 298.342 1.977 0 50 CDAA c1cncc(CCN=c2cc([C@@H]3CCOC3)nc[nH]2)c1 426627603 BWBUWPKMPDXOAD-CYBMUJFWSA-N 270.336 1.452 0 50 CDAA CCc1cc(CN(C)C(=O)[C@]2(C)CCCO2)on1 426399162 DWHACAXHBNZGRT-ZDUSSCGKSA-N 252.314 1.765 0 50 CDAA COc1ccc2c(c1)OC[C@H](CNc1nccc(N)n1)C2 91551699 APAOKMUCNLNZBB-JTQLQIEISA-N 286.335 1.731 0 50 CDAA COC1CCN(C(=O)NCc2ncc(C)[nH]2)CC1 426510918 YGWIAAJTKRIULC-UHFFFAOYSA-N 252.318 1.039 0 50 CDAA CCn1nc(CC(C)C)cc1C(=O)N1CCOCC1 91319858 DBQIZRANWQXONR-UHFFFAOYSA-N 265.357 1.574 0 50 CDAA COCc1cc(N[C@H](C)Cn2nc(C)cc2C)ncn1 91574656 DVGKODNVFNUICS-LLVKDONJSA-N 275.356 1.937 0 50 CDAA CCOC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC1=O 95707305 YDASEKAEWNKGEJ-ZDUSSCGKSA-N 271.313 1.376 0 50 CDAA c1ccc(-c2ccnc(NCCSc3cnn[nH]3)n2)nc1 96140757 XEOMPRUKPNBKHY-UHFFFAOYSA-N 299.363 1.861 0 50 CDAA O=C(NC1CC1)C1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 245264955 FCQHYSMCYUUBGL-WHOFXGATSA-N 290.407 1.940 0 50 CDAA Cc1nn(C)cc1NC(=O)CN(C)[C@@H](C)c1ccncn1 244874378 XAFIIVPFRHGOKB-NSHDSACASA-N 288.355 1.150 0 50 CDAA CN(C)c1cc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)ncn1 298531798 UXZPLBNSJRLABM-ZDEQEGDKSA-N 299.378 1.828 0 50 CDAA CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@H]1CCOC1)CC2 299743595 LNLOIQYDSWRHJI-NEPJUHHUSA-N 291.395 1.791 0 50 CDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1[C@H]2CCC[C@H]21 299743214 KBVUTZYJLHVGTP-NMKXLXIOSA-N 281.352 1.515 0 50 CDAA CCc1ccc(CC(=O)N2CCOC[C@H]2C(=O)O)cc1 299748684 HVRWRKBWGOZYBI-ZDUSSCGKSA-N 277.320 1.104 0 50 CDAA Fc1cnccc1N1CCN(CC(F)(F)F)CC1 641271882 IMPKUUNUGXVZHD-UHFFFAOYSA-N 263.238 1.905 0 50 CDAA CN1CCC2(CC1)CN(c1ncnc3[nH]ccc13)CCO2 645384339 AQJKCALAAXFSPH-UHFFFAOYSA-N 287.367 1.259 0 50 CDAA CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ncc(C)[nH]1 822650419 YYGSEXXWANTXNX-SNVBAGLBSA-N 298.368 1.753 0 50 CDAA C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(=O)O)c1ccccc1 585134803 KLRGRABDWPTRQQ-ZWNOBZJWSA-N 287.319 1.530 0 50 CDAA CC(C)(O)[C@H]1CCN(C(=O)CCC(=O)NC2CCCC2)C1 670462329 KDWNQUPTWGMOKU-LBPRGKRZSA-N 296.411 1.445 0 50 CDAA Cc1cccc(N2CCC(NC(=O)[C@H]3C=CCN3)CC2)c1 670452444 ZLHIIWGOPCQKCT-MRXNPFEDSA-N 285.391 1.608 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)N1CC[C@@H]([C@@H](F)C(=O)O)C1 1548598805 FUDVSEUXUSTWFF-NXEZZACHSA-N 296.298 1.745 0 50 CDAA O=C(c1coc2ccc(F)cc12)N1C[C@H](CO)C[C@@H]1CO 1875285947 HNAGSJHEIPZSLJ-MWLCHTKSSA-N 293.294 1.387 0 50 CDAA Nc1c(C(=O)NCC2CC2)cnn1-c1ccccc1F 1875300891 VCUDMBUUTKSXPD-UHFFFAOYSA-N 274.299 1.733 0 50 CDAA Cn1ncc2cccc(OC[C@H]3C[N@]3CC3CC3)c2c1=O 1875385150 NJKBEYOZRVZQOU-YJYMSZOUSA-N 285.347 1.407 0 50 CDAA Cc1nc(N2CC[C@]3(C2)OC[C@@H]2C[C@@H]23)c2cc[nH]c2n1 1875306574 KYTVLYZFOAOXRF-ITDIGPHOSA-N 270.336 1.882 0 50 CDAA CCOCC(=O)Nc1cccc(C(=O)OCC)c1 2734988 LDYWYHOJSNWRSE-UHFFFAOYSA-N 251.282 1.838 0 50 CDAA C[C@@]1(C(=O)N2CC(c3cc(CO)on3)C2)CC=CCC1 886084983 RGLPUSVOUPRRJI-OAHLLOKOSA-N 276.336 1.839 0 50 CDAA CC(C)=C(F)C(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 886035003 MSTAEJBLLFQWAT-RNFRBKRXSA-N 283.221 1.971 0 50 CDAA C[C@@H]1CN(c2cc(C(F)F)ncn2)C[C@@H]1N1CCOCC1 892856396 PVEQSRCNGVUTOZ-PWSUYJOCSA-N 298.337 1.571 0 50 CDAA CCNC(=O)N1CCN(Cc2csc(C3CC3)n2)CC1 134901472 SMSMQKCBEMOZRS-UHFFFAOYSA-N 294.424 1.868 0 50 CDAA CC(=O)N(c1nnc(SCCO)s1)C1CC1 1318088381 UEVWBEFMGVPTQD-UHFFFAOYSA-N 259.356 1.138 0 50 CDAA CCCc1cnc(C)nc1N1C[C@@H]2CC[C@H](C1)C(=O)N2C 75971946 DXQFSCVRXGZMOJ-KGLIPLIRSA-N 288.395 1.795 0 50 CDAA Clc1ccc(N2CCN(Cc3cn[nH]c3)CC2)nc1 19607424 ICYGOCFPLQQIKB-UHFFFAOYSA-N 277.759 1.780 0 50 CDAA Cc1ccc(CC(=O)NC[C@H]2CCc3nccn3C2)cn1 276219324 JGNCDSNNTRVDNF-CQSZACIVSA-N 284.363 1.508 0 50 CDAA CS[C@H](C)C(=O)NCCc1nc(-c2ccccc2)n[nH]1 170603757 MRSGWIQNBGVTIZ-SNVBAGLBSA-N 290.392 1.882 0 50 CDAA CCN(C)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 602628030 WWJQQYQBFIYFFX-UHFFFAOYSA-N 299.396 1.244 0 50 CDAA CCn1nc(C)c(CN2CCN(CC(C)C)C(=O)C2)c1C 188584443 BTPBYBDMDGXWMB-UHFFFAOYSA-N 292.427 1.820 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1cccc(OC)n1 408474269 NQEBVNOMEURWMR-OLZOCXBDSA-N 278.352 1.912 0 50 CDAA CCO[C@H]1C[C@](CO)(NC(=O)c2ccc(C)o2)C1(C)C 188851091 RUENSYPPBJGZLJ-SWLSCSKDSA-N 281.352 1.884 0 50 CDAA C[C@H]1CN(C(=O)c2ncc3c(F)cccn23)C[C@@H]1CN 638906179 TUOIDQHNVYYUPI-UWVGGRQHSA-N 276.315 1.140 0 50 CDAA C[C@@H]1c2nc(Cl)nc(Cl)c2CS1(=O)=O 223467860 QSLVSKKWSJSWMO-GSVOUGTGSA-N 253.110 1.773 0 50 CDAA Cc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC2)cc1-c1ccccc1 225502512 RBMKZNXKNDKKRW-CYBMUJFWSA-N 298.342 1.869 0 50 CDAA CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)N(C)C(C)C 190669605 XSIBIFLKIAMXFD-MNOVXSKESA-N 287.429 1.736 0 50 CDAA CCc1noc([C@H](C)N2CCN([C@H](CC)C(=O)O)CC2)n1 191432514 GYPZYVMWMRMCFC-WDEREUQCSA-N 296.371 1.174 0 50 CDAA CCC(=O)Nc1cccc(C(=O)NC2(C)CCNCC2)c1 193379356 AFTJJEBDPTXNHA-UHFFFAOYSA-N 289.379 1.907 0 50 CDAA O=C(Nc1ccncn1)N[C@@H](CO)Cc1ccccc1 194171640 DROXFZUXDWEMFE-GFCCVEGCSA-N 272.308 1.202 0 50 CDAA O=C(c1csc(O)n1)N1CC[C@@H](c2cccnc2)C1 565364080 FKXBAAFYJIBBPC-SNVBAGLBSA-N 275.333 1.873 0 50 CDAA COCC1(CN2C[C@@H](C)O[C@@H](c3nnc(C)o3)C2)CCC1 661927053 DXOGGUYWPMUAEH-DGCLKSJQSA-N 295.383 1.957 0 50 CDAA O=C(N[C@@H](CO)CC1CC1)c1cc2cccnc2[nH]1 665412749 VTSKFUBECWNHRE-LLVKDONJSA-N 259.309 1.454 0 50 CDAA CNC(=O)c1cccc(C(=O)N2CC(C(F)F)C2)c1 676105156 DSZDVSSXPKKKFS-UHFFFAOYSA-N 268.263 1.383 0 50 CDAA C[C@@H]1C[C@H](C(=O)NCCn2ccnn2)CC(C)(C)C1 584908506 VVCASRUDBGWKOX-NEPJUHHUSA-N 264.373 1.857 0 50 CDAA NC(=O)[C@@H]1CN(Cc2cscn2)C[C@H]1c1ccccc1 585087182 ZZFWXNHUOWPZEJ-UONOGXRCSA-N 287.388 1.844 0 50 CDAA NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCCC1 585122368 YMYNUOHBWSMEMY-UHFFFAOYSA-N 264.300 1.239 0 50 CDAA COC(=O)N[C@H](C(=O)Nc1cnn(C)c1Cl)C(C)C 585126338 WWNLXFGZQMTHDG-QMMMGPOBSA-N 288.735 1.393 0 50 CDAA C=CC(=O)N1CCN(c2ccc(F)cc2F)CC1 1346091596 YNWRMNOXEVTDCT-UHFFFAOYSA-N 252.264 1.799 0 50 CDAA Cc1cccc(NC(=O)CC(=O)NCCc2ncc[nH]2)c1 1506407149 UKOFVXRUNRCVBN-UHFFFAOYSA-N 286.335 1.406 0 50 CDAA CC[C@H]1CN(c2cncc(C(=O)O)n2)CCN1C(C)C 1529166989 BWKKLAASWCHCGL-NSHDSACASA-N 278.356 1.484 0 50 CDAA Cn1nc(C(N)=O)nc1-c1ccc2ncccc2c1 1857736968 SJTCERDABDENNK-UHFFFAOYSA-N 253.265 1.129 0 50 CDAA Cc1cccc(CCN2CCN(C)C3(CCOCC3)C2)n1 1800415003 ZMIYAILCJLZYEB-UHFFFAOYSA-N 289.423 1.729 0 50 CDAA Cc1ccc(-n2c(N)c(C=O)c(=O)[nH]c2=S)cc1 337994 ZRLSLVFEBWYZMQ-UHFFFAOYSA-N 261.306 1.598 0 50 CDAA CN(C)C(=O)c1ccc(N2CC(c3ccccn3)C2)nc1 1704308160 GIWWKDMWYPVNNQ-UHFFFAOYSA-N 282.347 1.782 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(CCN1CCCC1=O)C2 1704302435 KUVKIDYBBDCAON-ZBFHGGJFSA-N 280.412 1.890 0 50 CDAA OC[C@H]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1O 336370106 WHHWHGLKYGLVBT-ZWNOBZJWSA-N 273.735 1.654 0 50 CDAA NC[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Cl 131712377 VARKFLCUMKQLHP-VIFPVBQESA-N 292.763 1.591 0 50 CDAA CCC(CC)(CNC(=O)CCn1ccnc1)C(=O)O 137631574 IKFWPWWWRHTCDF-UHFFFAOYSA-N 267.329 1.280 0 50 CDAA CC1=CC[C@@H]2C(=O)N(CCCC(=O)O)C(=O)[C@H]2C1 20513333 IPIMQTPPZRFVLP-UWVGGRQHSA-N 251.282 1.193 0 50 CDAA NCCc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21 1615555356 RUFZMBXKVNIHRV-QXSJWSMHSA-N 299.418 1.450 0 50 CDAA CN1CCC[C@@H](CN2CCC[C@H](C(=O)NC3CC3)C2)C1 1615616103 VSSVJCGAIZPQGQ-KGLIPLIRSA-N 279.428 1.319 0 50 CDAA O=C(Cc1cccnc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775982801 DTYCZDGOUZTKHA-QGZVFWFLSA-N 296.374 1.854 0 50 CDAA CO[C@H](C)c1nnc2n1-c1ccccc1C(=O)N(C)C2 1772806861 LHGGLMQXEXZZJT-SECBINFHSA-N 272.308 1.560 0 50 CDAA O=C(CCn1cnc2ccccc21)N1CCC[C@H]1C1(O)CC1 1772813722 QLYDTLHJMINUOD-HNNXBMFYSA-N 299.374 1.942 0 50 CDAA CC(C)(C)c1ccc(OCCNC(=O)c2nc[nH]n2)cc1 13118661 BSBGPAHWSKBVNF-UHFFFAOYSA-N 288.351 1.911 0 50 CDAA CCCCCNC(=O)c1cnc2sccn2c1=O 16651134 DDXZJMPWWSVLMQ-UHFFFAOYSA-N 265.338 1.676 0 50 CDAA O=C1C[C@@H](N2CCCCC2)C(=O)N1Cc1ccccc1 19770960 LFFMNEGDAQZGMW-CQSZACIVSA-N 272.348 1.800 0 50 CDAA c1cc(-c2nccn2[C@@H]2CCNC2)n2nccc2c1 1875244701 QGVKBGWTTGYBDG-GFCCVEGCSA-N 253.309 1.732 0 50 CDAA CCOC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 154040 YQTIWLBULZHLIE-UHFFFAOYSA-N 297.376 1.650 0 50 CDAA in-vitro C[C@@H](NC(=O)C[C@@H]1CCOC1)c1ncc(C(=O)O)s1 621608916 BTSZMXSSXJYMLP-SFYZADRCSA-N 284.337 1.445 0 50 CDAA CC[C@@H](C)CN[C@H]1CCCN(c2nccn(C)c2=O)C1 328629755 IQEQDOIXBUGKDL-OLZOCXBDSA-N 278.400 1.385 0 50 CDAA O=C(O)Cn1cc(NC(=O)c2noc3c2CCCC3)cn1 647746131 ZXJITIHIFZUAMO-UHFFFAOYSA-N 290.279 1.087 0 50 CDAA Cn1cnc2cc(C(=O)N3CCN4CCCC[C@@H]4C3)ccc21 127743197 VFFGASDZOOKKND-CQSZACIVSA-N 298.390 1.884 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)COCCc1ccccc1 237475671 ZIHABSPMLUEKIT-HIFRSBDPSA-N 276.380 1.584 0 50 CDAA O=C(N[C@@H]1CCC[C@H](CO)C1)[C@@H](C1CC1)N1CCCC1 334060816 YKAHDGIZSLRVQV-NWANDNLSSA-N 280.412 1.528 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1C(=O)NC1(CC(=O)O)CCOCC1 663123458 MXOKQPPUXGOGRP-WCQYABFASA-N 299.367 1.188 0 50 CDAA C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)[C@@H]1CCCO1 133386065 ONVVRBYRXHZWFZ-QEJZJMRPSA-N 292.379 1.457 0 50 CDAA O=C1CC[C@@H]2CN(c3nccc4occc34)CC[C@@H]2N1 664343245 LJUIDUQDNADZHI-PWSUYJOCSA-N 271.320 1.933 0 50 CDAA Cc1c[nH]nc1CN1CCc2ccccc2[C@H]1C(N)=O 365620667 SZAYHKVLCUKSLV-AWEZNQCLSA-N 270.336 1.303 0 50 CDAA CC1(CNC(=O)c2nc(-c3cnccn3)no2)CCCC1 583651417 MRYDMNKASPHEQL-UHFFFAOYSA-N 287.323 1.837 0 50 CDAA Cc1cc(CS(=O)(=O)c2cccnc2)nc(C)n1 1653095234 UXRXQKPKEMIFFZ-UHFFFAOYSA-N 263.322 1.462 0 50 CDAA CC1(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)CCC1 910615152 HIFURPUUDLEEAW-LOIXOFCESA-N 281.352 1.705 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]1C(F)F 818027525 YCZAANMJTWGUPR-DTWKUNHWSA-N 290.310 1.862 0 50 CDAA O=C(NO[C@@H]1CCCCO1)[C@H]1CCCn2nccc21 818738692 IPXQOLIZFRPEAZ-CMPLNLGQSA-N 265.313 1.335 0 50 CDAA Cc1cc(C2(C(=O)NOC3CCOCC3)CC2)on1 822056123 URWSUPQGUUACIM-UHFFFAOYSA-N 266.297 1.241 0 50 CDAA Cc1noc(CNC(=O)[C@@](C)(O)c2ccc(F)cc2)n1 930373519 XGNASWWHZDXTTP-ZDUSSCGKSA-N 279.271 1.041 0 50 CDAA Cc1nnc2n1CCN(C(=O)[C@H]1CC[C@H]3C[C@H]3CC1)C2 932109368 VLCHOKRICORIKW-XYYAHUGASA-N 274.368 1.755 0 50 CDAA C=CC(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 1120553458 AFRNOHYOYRYMLV-AWEZNQCLSA-N 268.316 1.892 0 50 CDAA OC[C@@H](O)C1CCN(Cc2ccc3c(c2)CCO3)CC1 1772704685 GMODFYSWMNGORP-OAHLLOKOSA-N 277.364 1.187 0 50 CDAA Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)n1 102043253 LEBDTPXPEMGCGI-DJIHRAIXSA-N 272.304 1.851 0 50 CDAA C[C@@H](N)[C@H]1CN(C(=O)c2coc3ccccc23)CCO1 127892721 VKYPVMHZMBIJJK-QMTHXVAHSA-N 274.320 1.621 0 50 CDAA CC[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)C[C@@H](C)O1 155634598 KOLLWJIWPLKVQT-SNPRPXQTSA-N 276.380 1.582 0 50 CDAA C[C@H]1CCCN(C(=O)CC2CCOCC2)[C@@H]1CN 156955296 IYGSGJRFMBXOCL-WCQYABFASA-N 254.374 1.389 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(CCc2cccs2)CC1 262470203 WTFVUDXSRZXNRY-ZDUSSCGKSA-N 282.409 1.771 0 50 CDAA O=C(c1ccncc1F)N1CCO[C@@H](c2nccs2)C1 265903579 OMDIKUPBQRZVGN-LLVKDONJSA-N 293.323 1.891 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)O)o1 268907301 ORKBPDAIMSKSNS-WCBMZHEXSA-N 253.254 1.019 0 50 CDAA O=C(C1CC(OCc2ccccc2)C1)N1CCC[C@@H]1CO 363769686 PWRYIQHZRDSNHT-HWOWSKLDSA-N 289.375 1.965 0 50 CDAA O=C(O)C[C@H](NC(=O)c1ccncc1Cl)C(F)(F)F 698719284 AWKIHUPOHYNVFE-ZETCQYMHSA-N 296.632 1.870 0 50 CDAA CN(Cc1noc2c1COCC2)C1(C(=O)O)CCCC1 903907261 JZWZODCGZQGJMB-UHFFFAOYSA-N 280.324 1.577 0 50 CDAA CC(CO)(CO)CNc1nccc2sccc12 393861003 CYBKCTJUKCYTHG-UHFFFAOYSA-N 252.339 1.699 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)CCc1cn[nH]c1 863858065 XWZYSISRJUTUAW-UHFFFAOYSA-N 262.313 1.606 0 50 CDAA Cc1cccc(C)c1CCNC(=O)C[C@H]1CC(=O)NC1=O 934903551 QOHNWGZYDXQNLL-LBPRGKRZSA-N 288.347 1.015 0 50 CDAA CC[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 31757 UDEYSTKYJGEJLU-JTQLQIEISA-N 284.381 1.039 0 50 CDAA CCOC(=O)c1c[nH]c2cc(F)c(F)cc2c1=O 202104 PVQWGRDZOWBHIC-UHFFFAOYSA-N 253.204 1.983 0 50 CDAA Cc1ccc2nc3c(nc2c1)C(=O)N(C[C@@H]1CCCO1)C3=O 312874 LWMYPNDDYAOCFA-JTQLQIEISA-N 297.314 1.713 0 50 CDAA CC(=O)OCCCNC(=O)c1cc2ccccc2oc1=O 1903761 CGLMTHOYRHIUTF-UHFFFAOYSA-N 289.287 1.476 0 50 CDAA O=C(CCCNC(=O)c1cccnc1)NCc1ccccc1 2097661 JZIFNTFCHKSWTF-UHFFFAOYSA-N 297.358 1.908 0 50 CDAA biogenic Nc1ccc2nc(C3=N[C@@H](C(=O)O)CS3)sc2c1 2572343 HKSJKXOOBAVPKR-SSDOTTSWSA-N 279.346 1.825 0 50 CDAA CN1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2 2572652 GVGYEFKIHJTNQZ-RFQIPJPRSA-N 289.331 1.779 0 50 CDAA in-man CCN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1 6742697 ZCOMDHKDJGBZIO-NEPJUHHUSA-N 268.357 1.042 0 50 CDAA CC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766178 UCRWFHKVCYYIOX-SNVBAGLBSA-N 296.392 1.537 0 50 CDAA CSC[C@H](CCO)NC(=O)c1nc(Cl)cs1 225721696 HEGAWPGIEOVUFA-LURJTMIESA-N 280.802 1.640 0 50 CDAA CN(C)N[C@@H]1S/C(=C/C(=O)O)C(=O)N1c1ccccc1 22064335 NMGJGAAASDRUFJ-FROQITRMSA-N 293.348 1.085 0 50 CDAA NC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc3c(c2)COC3)C1 420445814 GAFBLAYRLRAGIV-GXFFZTMASA-N 296.392 1.123 0 50 CDAA CN1CCC(N2CCC[C@@H](NC(=O)C3CCCC3)C2)CC1 20201141 FZZYTNFZHFRZGR-OAHLLOKOSA-N 293.455 1.851 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2ccc3nc(S)[nH]c3c2)N1 135502073 YNQNMIXQCACEGH-QMMMGPOBSA-N 276.321 1.069 0 50 CDAA CCCSc1ncc(CN2CCN(C)C(=O)[C@H]2C)cn1 67786182 LKRFIICYSRMOMB-LLVKDONJSA-N 294.424 1.641 0 50 CDAA CCc1cnccc1C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 347768541 HGARAXWDYSTVCC-GJZGRUSLSA-N 289.379 1.189 0 50 CDAA Cn1cncc1CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250619907 LTNZZUCDIJXNGG-RTXFEEFZSA-N 263.341 1.638 0 50 CDAA Cc1nccn1C[C@@H](C)NCC1(CO)CCCC1 67756194 XQVAEHPIHBUKGM-GFCCVEGCSA-N 251.374 1.722 0 50 CDAA CN1CCN(C[C@@H]2Cn3c(cc4occc43)C(=O)O2)CC1 25757936 DZFYXJYAKFHASE-LLVKDONJSA-N 289.335 1.021 0 50 CDAA Cc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)nc1 22034429 PDIMQANFBCWNFL-UHFFFAOYSA-N 282.255 1.889 0 50 CDAA O=C1CCCN1CCCn1ccnc1-c1ccccn1 67604285 RYWCRDGJFOEXML-UHFFFAOYSA-N 270.336 1.958 0 50 CDAA CN1CCC[C@@H](CNC(=O)Cn2ncc3ccccc32)C1 67821738 NPHJDRSSFDZNCO-ZDUSSCGKSA-N 286.379 1.494 0 50 CDAA O=C(NCc1ccco1)N1CCN(C2CCOCC2)CC1 176935989 DLWGQWXNPKRVFW-UHFFFAOYSA-N 293.367 1.286 0 50 CDAA CC(C)N1CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 253419177 CMKLXXOCNRFDDQ-UHFFFAOYSA-N 290.342 1.868 0 50 CDAA CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1 49138 SVYBEBLNQGDRHF-UHFFFAOYSA-N 284.366 1.484 0 50 CDAA biogenic,in-man CON(C)C(=O)c1cc(F)c(Br)cc1N 308916756 IOGDZSZQAIDSRB-UHFFFAOYSA-N 277.093 1.804 0 50 CDAA CC(C)COc1ccc(N2C[C@@H](C(N)=O)CC2=O)cc1 470829 RJYNKIQUCZKNPP-NSHDSACASA-N 276.336 1.560 0 50 CDAA CCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](C)O 36638816 RTOMPKTUIPRSOJ-NSHDSACASA-N 287.381 1.361 0 50 CDAA CCn1nc(C)c(NC(=O)Cc2cnn(C)c2)c1C 172825274 SLCAKVAMUQQWEV-UHFFFAOYSA-N 261.329 1.435 0 50 CDAA CC(C)(C)OC(=O)NC1CCN(c2ncccn2)CC1 30823055 YCSWAZYRTWCBJK-UHFFFAOYSA-N 278.356 1.970 0 50 CDAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2N1CN1CCO[C@H]2CCCC[C@H]21 257364977 BQHVNZZAYVRCGC-KLOLGFOXSA-N 290.407 1.844 0 50 CDAA C[C@H](O)CS(=O)(=O)Cc1ccc(F)cc1F 331347782 MQFSDZVHYCJBLE-ZETCQYMHSA-N 250.266 1.260 0 50 CDAA COc1cc(C(=O)N(C)C[C@@H]2CCc3nccn3C2)on1 328628505 NTGRKHYEXJXERW-JTQLQIEISA-N 290.323 1.214 0 50 CDAA CCN1CCN(C(=O)CCSC)C[C@@H]1c1ncc[nH]1 328618763 FBMVLAOGYZNTNC-LLVKDONJSA-N 282.413 1.368 0 50 CDAA O[C@@H](COCC(F)(F)F)CN1CCC2(CCOCC2)C1 366591011 JUSIJXSXPHYDOK-LLVKDONJSA-N 297.317 1.429 0 50 CDAA OC[C@@]1(F)CCN(c2nnc(-c3ccccn3)s2)C1 328747131 OZOZRRIMSCMICF-GFCCVEGCSA-N 280.328 1.511 0 50 CDAA CC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 216267361 XVEMHSPMHOYPNQ-KCQAQPDRSA-N 295.427 1.091 0 50 CDAA CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)NC[C@@]1(C)CCC(=O)N1 331936047 GSJRLILNAPYBOL-DUVNUKRYSA-N 295.427 1.977 0 50 CDAA CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc3n(n2)CCO3)C12CCC2 377972728 VKTQMOJCJGTAET-ZWKOPEQDSA-N 291.351 1.209 0 50 CDAA 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289.335 1.932 0 50 CDAA C[C@H]1CCN(C(=O)CC2OCCCO2)C[C@@H]1n1ccnc1 239352151 ABGRCFWCZOHZSC-STQMWFEESA-N 293.367 1.446 0 50 CDAA Cc1ncsc1C(=O)Nc1nnc(C)n1C1CC1 239782555 CPCYBANLQZUIEJ-UHFFFAOYSA-N 263.326 1.939 0 50 CDAA COCc1nc(CNC(=O)Nc2cc(C)on2)cs1 289437376 FOQWAQILVLYOGM-UHFFFAOYSA-N 282.325 1.908 0 50 CDAA COCCC[C@H]1CCCN(C(=O)c2cc(CO)ccn2)C1 223541703 IKEKYZIIAZJKGJ-CYBMUJFWSA-N 292.379 1.853 0 50 CDAA CN(C[C@H]1CCN(C)C1(C)C)C(=O)CCCC(=O)O 426598843 JIXJBZIBLBMSJO-LLVKDONJSA-N 270.373 1.430 0 50 CDAA CCCc1cc(C(=O)NCCCn2cc(C)cn2)no1 85532659 ZDYLRTHLSLYJSX-UHFFFAOYSA-N 276.340 1.952 0 50 CDAA COc1ccc(-c2n[nH]c(SC)n2)c(OC)n1 426684019 YYVUHUIQGKQNMW-UHFFFAOYSA-N 252.299 1.606 0 50 CDAA CCCNC(=O)OC[C@H]1CCCCN1Cc1cc[nH]n1 289930404 WKELCDPOOOMMMK-CYBMUJFWSA-N 280.372 1.900 0 50 CDAA NC1CC(c2cc(NCCc3cn[nH]c3)ncn2)C1 222318211 BDNUWQJKWPOJJW-UHFFFAOYSA-N 258.329 1.059 0 50 CDAA Cc1nnc([C@@H](C)N2CCO[C@@H](c3nccs3)C2)o1 222213565 GTTOWOYJIXGRSZ-PSASIEDQSA-N 280.353 1.969 0 50 CDAA Cc1cn2cc(C(=O)N[C@H]3CCSC3)ccc2n1 82115565 BLOZGKQSOQBMPN-NSHDSACASA-N 261.350 1.878 0 50 CDAA COc1ccnc(CN(C)C(=O)NC[C@@H]2CCCCO2)c1 426432155 YHEYPIDVIUYXLB-AWEZNQCLSA-N 293.367 1.801 0 50 CDAA O=C(c1ccc(-n2cnnc2)nc1)N1C[C@H]2CC=CC[C@H]2C1 97463576 VWCNQFSFISGXJO-OKILXGFUSA-N 295.346 1.701 0 50 CDAA CC1CCN(C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1 239306205 GNOUJHHHVHESEW-WUHRBBMRSA-N 263.337 1.768 0 50 CDAA C[C@@H](NC(=O)N(C)C1CCOCC1)c1cnn(C)c1 337972974 DSURUXPBSLIRIS-SNVBAGLBSA-N 266.345 1.302 0 50 CDAA O=C1N[C@H]2CC[C@@H]1CN(C(=O)C1Cc3ccccc3C1)C2 426693712 JZKABJODQKMOLP-HIFRSBDPSA-N 284.359 1.138 0 50 CDAA Cc1[nH]nc(CCC(=O)NCCc2c[nH]cn2)c1C 97655514 WGVMEGJJLASZRL-UHFFFAOYSA-N 261.329 1.041 0 50 CDAA CCc1nc(N2CC[C@@]3(CCCNC3=O)C2)ncc1C 91440729 RJHHZKSIXZPHDD-HNNXBMFYSA-N 274.368 1.454 0 50 CDAA CCC[C@]1(CO)CCCN(C(=O)c2cc(=O)cc(C)o2)C1 91713540 AYDBCTAPODLEKS-INIZCTEOSA-N 293.363 1.963 0 50 CDAA Cn1cc(CNC(=O)[C@@H]2COc3ccccc3C2)cn1 95522342 BKVUXFVHIMUOFK-ZDUSSCGKSA-N 271.320 1.288 0 50 CDAA OC1(c2ccccc2)CCN(c2ccncn2)CC1 91474699 DRDZCVCTQDLTEM-UHFFFAOYSA-N 255.321 1.965 0 50 CDAA Cc1ccnc(N(C)CC2(CO)CCOCC2)n1 95377247 UYBHYXAYGYIEON-UHFFFAOYSA-N 251.330 1.010 0 50 CDAA NS(=O)(=O)c1ccc(CCCCCCO)c(F)c1 91445237 DUIVNYLGJNUOHP-UHFFFAOYSA-N 275.345 1.568 0 50 CDAA CCN(CCN1CCCC1=O)C[C@H](O)c1cccc(O)c1 244764068 PAWMVOAHFJSOOQ-HNNXBMFYSA-N 292.379 1.370 0 50 CDAA O=C(c1cn[nH]c1)N1CCCN(C2CCCCC2)CC1 244735134 NTIWPHFSWYUWSQ-UHFFFAOYSA-N 276.384 1.890 0 50 CDAA Cc1cccc([C@H](NC(=O)[C@H]2CC[C@@H](O)CC2)C(=O)O)c1 244734780 NLSXMGQBWSIECD-YUTCNCBUSA-N 291.347 1.788 0 50 CDAA Cc1cc(O)nc2cc(NC(=O)CCn3cnnn3)ccc12 524733482 MXLFDHGDEMTCGU-UHFFFAOYSA-N 298.306 1.264 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)CCCn1cncn1 244734342 NDTBFPAEWNPNSX-CYBMUJFWSA-N 280.372 1.476 0 50 CDAA CN(CC(N)=O)Cc1cncn1C1CCCCC1 252497527 QJXBLGODLZLARJ-UHFFFAOYSA-N 250.346 1.305 0 50 CDAA COc1cccc(-c2cc(CNC(=O)[C@H]3C=CCN3)no2)c1 534645493 YYCMBCIMSBXXTP-CQSZACIVSA-N 299.330 1.494 0 50 CDAA CC1(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)COC1 534586306 WIYIBKIXLXCHPH-UHFFFAOYSA-N 294.395 1.320 0 50 CDAA Cc1[nH]nc(O)c1CC(=O)NCC1(C(C)C)CC1 534580216 DYMGFUAZNIKEBL-UHFFFAOYSA-N 251.330 1.519 0 50 CDAA Cc1nc(C)c(C(=O)NCc2ccc(C(=O)N(C)C)o2)o1 534591650 HCZSHSAZJKYQFH-UHFFFAOYSA-N 291.307 1.516 0 50 CDAA CCc1nccn1CCC(=O)NCC[C@@H]1CCCOC1 534633641 UPMSWHRWJGSUMV-ZDUSSCGKSA-N 279.384 1.769 0 50 CDAA O=C(NCCOc1ccccc1F)[C@H]1CC[C@@H](C(=O)O)C1 263340705 RVJBKPZWFKREHW-WDEREUQCSA-N 295.310 1.822 0 50 CDAA Cc1nnc(NCC[C@@H](C)N2CCN(C)CC2)s1 534664747 DOQINULUMWAXQW-SNVBAGLBSA-N 269.418 1.284 0 50 CDAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)[C@H]1C=CCN1 534588251 AFMMDNSQISDSFF-CQSZACIVSA-N 276.384 1.567 0 50 CDAA CCOc1ccccc1C(=O)N1CCc2n[nH]c(=O)cc2C1 263619125 XAKBVYIAGJJHAW-UHFFFAOYSA-N 299.330 1.367 0 50 CDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cccc(C)n1)CC2 299758311 LLLHQUVNTLTICH-IVMMDQJWSA-N 290.363 1.535 0 50 CDAA CC(C)(C)OC(=O)NC1(CC(=O)O)CCNCC1 299805158 ACPIGFWOZJZBNC-UHFFFAOYSA-N 258.318 1.108 0 50 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Cc1ncoc1C(=O)N[C@H](C(=O)NC1CCCC1)C(C)C 1875261952 UUIPULOGTWYWDA-LBPRGKRZSA-N 293.367 1.796 0 50 CDAA O=C(NCC1CCOCC1)c1ccc(F)c(O)c1F 1875292475 JOOBFDWQNSYBRA-UHFFFAOYSA-N 271.263 1.827 0 50 CDAA Cc1nc(N2C[C@@H]3C[C@H]2CN3C2CCC2)c2cnn(C)c2n1 1875289459 UFDLMMOBAYLIMW-STQMWFEESA-N 298.394 1.487 0 50 CDAA OC[C@@H]1CCCCN1CCNCc1cnccc1Cl 952860197 HNQBQTLAUKRGNF-ZDUSSCGKSA-N 283.803 1.671 0 50 CDAA Cc1ccc(C)n1-c1c(C(=O)Nc2ccnnc2)cnn1C 1460794600 YEQNHDGXLDUUPX-UHFFFAOYSA-N 296.334 1.870 0 50 CDAA CN(CCc1cnccn1)C(=O)N[C@H]1CC=CCC1 271564961 OXKBLVXDIUJYLD-LBPRGKRZSA-N 260.341 1.769 0 50 CDAA Cc1cc(N)nc(N2CCC[C@H](C(=O)NC(C)C)C2)n1 894617571 SCIMIGWINCMQBW-NSHDSACASA-N 277.372 1.108 0 50 CDAA Cc1nc(SC[C@]2(C)CN(CC(F)(F)F)C2=O)n[nH]1 1775997760 LGWJWVBFXUJMPE-VIFPVBQESA-N 294.302 1.616 0 50 CDAA COC(=O)[C@@]12CC[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C2 1536220196 YYLKTAMUHFXTOF-KGLIPLIRSA-N 299.323 1.261 0 50 CDAA O=C1Nc2ccc(F)cc2C[C@H]1C(=O)N[C@H]1CCSC1 1467754356 UBSDZLDWWVONOP-QWRGUYRKSA-N 294.351 1.558 0 50 CDAA COC(=O)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)CN1 58041646 IUKCWZAMOFLESG-NXEZZACHSA-N 272.345 1.052 0 50 CDAA in-vitro CCc1cnccc1CNC(=O)N1CC[C@@H](n2cccn2)C1 516362902 QMKHFTSAKWIMEC-OAHLLOKOSA-N 299.378 1.997 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccoc2C)n1 408053286 GPYKYFRDYDCNRC-SKDRFNHKSA-N 291.307 1.882 0 50 CDAA N[C@@H]1CC[C@@H](C(=O)NC[C@H](O)c2ccccc2F)C1 408519318 VVRVRGFMAZSQDT-BREBYQMCSA-N 266.316 1.103 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 188232542 FSOSQCJKFPLERB-MFKMUULPSA-N 276.336 1.217 0 50 CDAA C[C@@]1(C(=O)NCc2ccc3c(c2)CNC3)CCCCN1 188692039 FSDOWXQIXHHTOR-INIZCTEOSA-N 273.380 1.438 0 50 CDAA CCS(=O)(=O)N1CCN(c2ccncc2F)[C@H](C)C1 641605303 RZKJYUFQYOXZIS-SNVBAGLBSA-N 287.360 1.081 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1cccc(F)c1C 643854274 XZCRCAODZDBPOI-HNNXBMFYSA-N 295.310 1.840 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2cc(C)on2)C1 644119649 YXIYTRXONVMESK-NEPJUHHUSA-N 290.323 1.237 0 50 CDAA CCc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1C 558669592 KIYZHNHMKKKLJG-LLVKDONJSA-N 273.340 1.430 0 50 CDAA CCOC(=O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 192117645 BTVSFINKMXYQTD-OCCSQVGLSA-N 285.290 1.948 0 50 CDAA OCc1ccnc(N2CCC([C@H](O)c3ccccc3)CC2)n1 767172281 PUZVIUBXFGEYCH-MRXNPFEDSA-N 299.374 1.919 0 50 CDAA CO[C@@H]1CN(C(=O)N2CCCC[C@@H]2C)C[C@H]1c1cnn[nH]1 657145315 HLRYWGYXQOQIOY-GMXVVIOVSA-N 293.371 1.213 0 50 CDAA COC(=O)C[C@@H](NC(=O)[C@H](C)CSC)c1ccncc1 584908842 IPHPXQFQCQAWHO-ZYHUDNBSSA-N 296.392 1.801 0 50 CDAA CC(C)(C)c1ccc(=NC(=O)N2CC[C@](F)(CO)C2)[nH]n1 585080419 NQATXEUXEJNHHN-CQSZACIVSA-N 296.346 1.134 0 50 CDAA CC1=NNC(=O)[C@H]1Sc1nnc(-c2cccs2)n1C 585118988 LKHLKKAKKAKEJH-QMMMGPOBSA-N 293.377 1.510 0 50 CDAA CS(=O)(=O)N1CCC(SCc2ccco2)CC1 585119013 MQAQWMSUFXOFON-UHFFFAOYSA-N 275.395 1.937 0 50 CDAA O=C(c1cc(-c2ccoc2)[nH]n1)N1CC([C@H]2CCOC2)C1 684348324 KNRHICCLFKBMEZ-JTQLQIEISA-N 287.319 1.778 0 50 CDAA CNC(=O)[C@H]1CCN(c2nc(C)nc3ccccc23)C1 1506431709 WGQYZZJFJKABNX-NSHDSACASA-N 270.336 1.511 0 50 CDAA 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289.257 1.628 0 50 CDAA CNC(=O)c1cc(N2CCO[C@@H](C(F)(F)F)C2)ccn1 892634175 YZRWRHYXZNHKFF-SNVBAGLBSA-N 289.257 1.209 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NCc1ccc(-c2nc[nH]n2)cc1 1775992670 MEOCEQQHKHSNKJ-SKDRFNHKSA-N 256.309 1.744 0 50 CDAA c1cc(-c2cn(CCO[C@@H]3CCOC3)nn2)ccn1 899736141 VICIJNIOPMKMJC-GFCCVEGCSA-N 260.297 1.146 0 50 CDAA Cc1cc(O)nc(N[C@H](C)CO[C@H]2CCOC2)n1 1336546447 TVBHTZMYKCPRKL-ZJUUUORDSA-N 253.302 1.097 0 50 CDAA CC(C)(C)OC(=O)[C@](C)(O)CNC[C@]1(C)CCCCO1 1363575130 IKJQYCGYYKHCIF-LSDHHAIUSA-N 287.400 1.628 0 50 CDAA COc1ccc(OC)c(CN2CCCN(C)CC2)c1 19536892 VFZGNMRLICHPEZ-UHFFFAOYSA-N 264.369 1.841 0 50 CDAA Cc1conc1C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 631834754 FDKYTTLXHOYCLL-STQMWFEESA-N 293.367 1.356 0 50 CDAA C[C@@H]1C(=O)N([C@H]2CCc3cc(O)ccc3C2)C(=O)N1C 672066945 LHGBATJBHMPGIK-SKDRFNHKSA-N 274.320 1.532 0 50 CDAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1cc(C2CC2)no1 281902703 QRHCEADAYMYQFQ-LBPRGKRZSA-N 291.351 1.539 0 50 CDAA CCOC(=O)CC1(NC(=O)OC(C)(C)C)COC1 95630865 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CCC[C@]1(CO)CCN(c2nc(C)ccc2OC)C[C@@H]1O 1875247299 YXZCAVJHBQJWFR-GOEBONIOSA-N 294.395 1.748 0 50 CDAA CC(=O)N[C@H](C)C1CCN(c2ncnc(N)c2Cl)CC1 225486933 KKCJIUNPLCJMGV-MRVPVSSYSA-N 297.790 1.453 0 50 CDAA Cc1noc([C@H]2CN(Cc3ccccn3)C[C@@H](C)O2)n1 625908404 FMZJELCWTNVEQM-ZWNOBZJWSA-N 274.324 1.735 0 50 CDAA CNc1nc(C)cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 253393924 XPYWPXIDPZNNNB-CHWSQXEVSA-N 290.367 1.610 0 50 CDAA C[C@](O)(C(=O)NCc1nc2ccc(F)cc2[nH]1)C1CCC1 362863923 BOTBNGSBQPVIAL-OAHLLOKOSA-N 291.326 1.869 0 50 CDAA O=C(Cc1cccc2cccnc12)N[C@H]1C[C@@H](C(=O)O)C1 263195766 JEYPDCPJKPRPLO-BETUJISGSA-N 284.315 1.757 0 50 CDAA C=CC(=O)N1CC2(CCOCC2)CC[C@@H]1C(=O)O 1857786841 GATYLRMYLVSEQZ-SNVBAGLBSA-N 253.298 1.045 0 50 CDAA CO[C@H]1CCC[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 225609752 WIZFHRMMLTZHIV-QWRGUYRKSA-N 263.341 1.975 0 50 CDAA O[C@H](CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccco1 225621205 JCCJUNAVDMMPJB-HBJVGIJOSA-N 263.337 1.860 0 50 CDAA Cc1cnn(CCN[C@H]2C[C@H](N)c3ccccc32)c1 236010713 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1.911 0 50 CDAA CCc1nnc(SCC(=O)Nc2nnc(C)s2)n1C 6726427 AZWYLVQEWQMRSX-UHFFFAOYSA-N 298.397 1.268 0 50 CDAA O=C(NC[C@H]1COCCO1)Nc1cccc2cnccc12 56532366 MEQIJRCCSDHWEU-LBPRGKRZSA-N 287.319 1.772 0 50 CDAA C/C=C/Cc1nnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](O)C3)o1 102391669 IDKQTFILVPQNEZ-VEOIXDKJSA-N 277.324 1.316 0 50 CDAA CC(C)(C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1 59796847 NASIOHFAYPRIAC-JTQLQIEISA-N 285.388 1.110 0 50 CDAA in-vitro CN1CCN(CCC(=O)c2ccc(F)cc2)CC1 22861157 HAVZHXBCDVXGKL-UHFFFAOYSA-N 250.317 1.646 0 50 CDAA COC(=O)c1ccc(C(=O)NC(=S)N2CCCC2)cc1 10455131 YMEYCNBMRZSUGI-UHFFFAOYSA-N 292.360 1.584 0 50 CDAA CCCN(C(=O)C[C@H]1CCC(=O)N1)C1CCCC1 67975155 QRCGXUVRZXVAKB-LLVKDONJSA-N 252.358 1.836 0 50 CDAA Cc1nn(Cc2nc3c([nH]2)CCCNC3=O)c(C)c1C 65381691 QIAZUQBIWCKVHC-UHFFFAOYSA-N 273.340 1.256 0 50 CDAA Cc1noc(C)c1CNC(=O)N1CCSCC1 67757180 SQISNOPFCYYRBH-UHFFFAOYSA-N 255.343 1.550 0 50 CDAA O=C(NC(CO)CO)c1cccc(-c2ccccc2F)c1 65372601 GLRRGODCYFUPSY-UHFFFAOYSA-N 289.306 1.576 0 50 CDAA CCc1cc(NCC[C@@H]2CCOC2)nc(N(C)C)n1 65372812 NBOCWNSBGLECSF-LLVKDONJSA-N 264.373 1.944 0 50 CDAA C[C@H](C(=O)N(C)C)N(c1cccc(F)c1)S(C)(=O)=O 67601917 FQIINHYMWIXIRQ-SECBINFHSA-N 288.344 1.068 0 50 CDAA CCCc1cc(OC)c(OCCNC(C)=O)cc1N 20428762 FVVJBJKPACEJGN-UHFFFAOYSA-N 266.341 1.745 0 50 CDAA Cc1noc(C)c1CC(=O)N[C@@H]1CCN2CCCC[C@@H]12 229384355 VHIBTMXIXUQDCL-KGLIPLIRSA-N 277.368 1.577 0 50 CDAA Cc1cc(C(=O)N2CC(=O)NCC2(C)C)ccc1F 282788877 WJAXYWKBUCYNFZ-UHFFFAOYSA-N 264.300 1.485 0 50 CDAA CCc1n[nH]c(=O)c(CNC(=O)C2CC=CC2)c1CC 120961625 QDXKOANADKAXJY-UHFFFAOYSA-N 275.352 1.477 0 50 CDAA COc1cccc2ncn([C@H](CC(C)C)C(N)=O)c(=O)c12 32587391 BVQMYCPSTKAOFD-LLVKDONJSA-N 289.335 1.478 0 50 CDAA CN1CC[C@H](CNC(=O)CSC(C)(C)C)CC1=O 521395800 LDBFYDUABROVGK-JTQLQIEISA-N 272.414 1.503 0 50 CDAA C[C@](O)(CCNC1=NCCCCN1)c1ccccc1 521396921 GMVUSKSURKITHS-HNNXBMFYSA-N 261.369 1.613 0 50 CDAA Cc1nc(/C=C/C(=O)N2C[C@H](C)N[C@H](C)C2)cs1 154176830 BNRYCODFTCGOGV-XYBNDFSHSA-N 265.382 1.674 0 50 CDAA 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CDAA CC(C)n1ccc(C(=O)NC[C@H]2CCN(C)C2)n1 265087122 YXIONKMLTLIZRW-LLVKDONJSA-N 250.346 1.146 0 50 CDAA N[C@@H]1CC[C@H](CNc2nnc(-c3ccon3)s2)C1 900403356 SCKLODVCMWHDIN-JGVFFNPUSA-N 265.342 1.732 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCCC1 911896025 DCJUTYKYAUCDNG-HNNXBMFYSA-N 260.337 1.418 0 50 CDAA O=C(O)Cc1cccc(S(=O)(=O)N[C@@H]2C=CCC2)c1 849332568 RNMBBEYLQIIVNC-LLVKDONJSA-N 281.333 1.311 0 50 CDAA CC1CC(CNC(=O)Cn2ncc3cccnc32)C1 824805238 RBQKSXQDPONQBY-UHFFFAOYSA-N 258.325 1.594 0 50 CDAA O=C(NCCc1nc(=O)o[nH]1)c1ccsc1C(F)F 935706598 WYBCLIFAPOSZNE-UHFFFAOYSA-N 289.263 1.335 0 50 CDAA OC[C@@H]1CCN(Cc2c(F)cc(F)cc2F)C[C@@H]1O 1140530315 UVKLSPRWYDIQIR-SDBXPKJASA-N 275.270 1.279 0 50 CDAA O=C1NC2(CCCC2)C(=O)N[C@H]1Cc1ccccc1 14887 ZFBXXNWUZNCKIR-LBPRGKRZSA-N 258.321 1.157 0 50 CDAA COc1ccc(C)cc1-c1nc(N)nc2nc[nH]c12 200587142 ZDCGXQHGUVKVKN-UHFFFAOYSA-N 255.281 1.919 0 50 CDAA O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCCCO1 50970701 ICKJSUUDEJYMHG-ZDUSSCGKSA-N 273.336 1.791 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(Cc2noc(C3CCCC3)n2)C1 65526570 NPOQLYPFBKWXKV-SECBINFHSA-N 279.296 1.160 0 50 CDAA O=C(CS(=O)(=O)c1ccccc1)C1CCOCC1 189170642 TUYOMNZCGHINOX-UHFFFAOYSA-N 268.334 1.456 0 50 CDAA CN(Cc1nnn(C)n1)[C@H](c1ccccc1)C(F)(F)F 328595222 OLSBXZNSIGCVTR-LLVKDONJSA-N 285.273 1.946 0 50 CDAA N=c1cc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc[nH]1 377094514 VYRKCOMPUSORAA-LBPRGKRZSA-N 289.301 1.773 0 50 CDAA COC(=O)CC[C@H](NC(=O)c1cc(C)oc1C)C(=O)OC 2853768 NWQPQCKQZNHUKH-NSHDSACASA-N 297.307 1.121 0 50 CDAA COCc1nc(-c2cccc(OC)c2F)nn1C 2100534118 USKRHBMLIBMXPT-UHFFFAOYSA-N 251.261 1.776 0 50 CDAA Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1OCCC1(C)C 2325781563 ICNLMBUXNORRQJ-LBPRGKRZSA-N 277.368 1.842 0 50 CDAA Nc1nc(NC(=O)c2ccco2)nn1-c1ccccc1 85556 RGYKBCNAIBCCGK-UHFFFAOYSA-N 269.264 1.695 0 50 CDAA COC(CNC(=S)Nc1ccccc1C)OC 472630 NSMOEPRXOOMZSL-UHFFFAOYSA-N 254.355 1.900 0 50 CDAA CN(C)C1=NC(c2ccccc2)(c2ccccc2)C(=O)N1 1664895 VFHSNAWWXDBJQT-UHFFFAOYSA-N 279.343 1.978 0 50 CDAA COC(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1 2842313 PAKPDIRVNSTNCN-UHFFFAOYSA-N 278.333 1.696 0 50 CDAA COCCNC(=O)C(=O)Nc1ccc(C)cc1C 2998419 GBZCKKYPCANFGT-UHFFFAOYSA-N 250.298 1.005 0 50 CDAA CC[C@H](C(=O)N[C@H]1CC[C@H](C(=O)O)CC1)n1cccn1 2356170078 UEXRISLJXQILDX-IJLUTSLNSA-N 279.340 1.594 0 50 CDAA O=S(=O)(CCc1ccccc1)N1CCN2CCC[C@H]2C1 247510822 PPUOSVMKHMSGHH-HNNXBMFYSA-N 294.420 1.339 0 50 CDAA O=C(O)Cn1c(-c2cccc3ccccc23)n[nH]c1=O 65405720 GBSPOIHTFVIJAP-UHFFFAOYSA-N 269.260 1.476 0 50 CDAA CC[C@@H](O)CNc1nc(CCN)nc2ccccc12 65403319 BTSVWDRXISMOBW-SNVBAGLBSA-N 260.341 1.314 0 50 CDAA CCC1=NO[C@H](CNC(=O)c2cc(C)nc(C)n2)C1 65386433 NUPJRZSWCIPIMN-NSHDSACASA-N 262.313 1.378 0 50 CDAA CCS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 65363335 YDXKZQKDBGQCDP-UHFFFAOYSA-N 251.307 1.630 0 50 CDAA CC(=O)N1C(=O)Cc2ccc(Br)cc21 118405682 OIGKNMUGQDFQBT-UHFFFAOYSA-N 254.083 1.885 0 50 CDAA Cc1nncn1CCN1CCC[C@@](CO)(CC(C)C)C1 1506418297 RWQZJUZWQAOTIM-OAHLLOKOSA-N 280.416 1.707 0 50 CDAA CC(C)c1nc(CCN2C[C@@H](C(=O)O)CC2=O)cs1 65395285 BLKMMUFEWANAKU-VIFPVBQESA-N 282.365 1.742 0 50 CDAA COc1cccc(NCc2nn(C(C)C)c(=O)[nH]2)c1 65365820 IOEXPNHGMRKBCB-UHFFFAOYSA-N 262.313 1.773 0 50 CDAA O=C(NC1(C(=O)O)CCOCC1)[C@@H]1CC=CCC1 127406565 HWHMVEJCGVFSDQ-SNVBAGLBSA-N 253.298 1.093 0 50 CDAA Cc1cc(C)n2ncc(CN3CC[C@H]4CC[C@@H](C3)N4)c2n1 65408519 FXMIRDSNSYQLDD-CABCVRRESA-N 285.395 1.672 0 50 CDAA O=C(NC[C@H]1CCCOC1)[C@@H]1CCCN1CC(F)(F)F 360040375 WTQGKDMHMZSPMJ-MNOVXSKESA-N 294.317 1.556 0 50 CDAA CC(C)N1CC[C@H](NC(=O)Nc2ccc(F)cn2)C1=O 123075611 JADIDFSQOIGCJX-JTQLQIEISA-N 280.303 1.352 0 50 CDAA C[C@]12CCN(C(=O)c3cnn4ncccc34)C[C@@H]1C2(F)F 329191617 SLSMZPBJZTVVEA-AAEUAGOBSA-N 292.289 1.847 0 50 CDAA N=C(N)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 361812464 GEJPNBHRSKHFJC-SECBINFHSA-N 252.749 1.649 0 50 CDAA C[C@@H]1CN(C(=O)/C=C/c2ccc(C(N)=O)cc2)C[C@@H](C)N1 153778326 GSPWYVLLIBZYJE-ZOUVEMKTSA-N 287.363 1.008 0 50 CDAA CCSCCN1CCCC[C@@H]1c1nc(O)n[nH]1 331349483 XVPORVJAIIHJKX-SECBINFHSA-N 256.375 1.790 0 50 CDAA CC(C)(C)[C@H](C#N)NC(=O)c1cnc(N)c(Cl)c1 122151702 SJPGHFNJMNXKRM-VIFPVBQESA-N 266.732 1.985 0 50 CDAA CCCc1cnc(C)nc1N1CCOC[C@@H](CN(C)C)C1 72130963 HKSWFXCUKJZBDJ-AWEZNQCLSA-N 292.427 1.752 0 50 CDAA CNCC(=O)N1C[C@H](c2ccccc2C)OC[C@H]1C 237208145 QZTVDKNBWDFGAZ-TZMCWYRMSA-N 262.353 1.503 0 50 CDAA CNCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 237204912 JTIWMHBMXCIMKO-UHFFFAOYSA-N 281.787 1.516 0 50 CDAA CCC1(CC)CC(=O)N(C[C@@H]2CCNC(=O)CC2)C1=O 333908631 KPEYJFBWUVERPH-NSHDSACASA-N 280.368 1.468 0 50 CDAA O=C(O)[C@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)CCO1 237965002 WGBOODFWFLTJCP-ZIYVKSGCSA-N 293.294 1.541 0 50 CDAA C[S@](=O)C[C@H](NC(=O)[C@H]1CCCCO1)c1ccccc1 246203678 MSRKEFXDCCXLMP-MNVSYLFESA-N 295.404 1.792 0 50 CDAA CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H](N)C2)s1 158276726 CNVAEOOLHBGBNK-ZJUUUORDSA-N 283.397 1.722 0 50 CDAA Cc1nc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)o1 77427735 AOQCDLKBBJMDEF-LBPRGKRZSA-N 294.351 1.749 0 50 CDAA CCOC(=O)[C@]12CCCN[C@@H]1CCN(Cc1ccoc1)C2 72144644 WYOANFISMXYTRT-ZBFHGGJFSA-N 292.379 1.787 0 50 CDAA COc1ccc(F)c(F)c1CN1CCC[C@@](O)(CO)C1 216478390 UOSKNEJQGAUQRF-AWEZNQCLSA-N 287.306 1.293 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)CCc1ncc(C)s1 860406613 PZECUHMGGJBCJO-UHFFFAOYSA-N 281.381 1.097 0 50 CDAA Cc1cccc(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)n1 285459988 LLZAZTBZGGYBPR-FZMZJTMJSA-N 286.335 1.384 0 50 CDAA O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCc1ccoc1 263547574 UTCIQPKYLANWMC-BZPMIXESSA-N 277.320 1.924 0 50 CDAA O=C([C@H]1CCCN(C2CCNCC2)C1)N1CCCC1 82126680 WAZAWKDZOGTZBO-ZDUSSCGKSA-N 265.401 1.073 0 50 CDAA CCCO[C@H]1CCCN(C(=O)NCCc2cnc[nH]2)C1 426550455 NROAPCBTVTZRQT-ZDUSSCGKSA-N 280.372 1.553 0 50 CDAA O=C(Cc1ccc2[nH]ncc2c1)N1CC[C@H](n2cccn2)C1 291276083 QXUONESPQKMOJU-AWEZNQCLSA-N 295.346 1.776 0 50 CDAA CCCCc1ncc(CN2CCO[C@@H](CCN)C2)[nH]1 426715923 MJLWCOBAEOKGOB-ZDUSSCGKSA-N 266.389 1.302 0 50 CDAA CCC(CC)(CO)CN(C)c1cc(C2CC(N)C2)ncn1 222752231 WGKLOERPQNJSBF-UHFFFAOYSA-N 292.427 1.916 0 50 CDAA Cc1cc(CC(=O)N(C)Cc2ccncc2C)on1 223450335 VEJILBMGSRSOBP-UHFFFAOYSA-N 259.309 1.888 0 50 CDAA CN(C(=O)c1cc(C(C)(C)C)nn1C)[C@H]1CCNC1 179108420 LLUHGLJFIVKYAA-JTQLQIEISA-N 264.373 1.152 0 50 CDAA C=CCC1(CC=C)CCCCN1C(=O)Cc1nc(=O)[nH][nH]1 142621070 ZWZIGTLAVAURRW-UHFFFAOYSA-N 290.367 1.544 0 50 CDAA C[C@@H]1CCc2ccccc2N1CCC(=O)NCC(=O)O 237394759 PFOJZIRMQSMYPK-LLVKDONJSA-N 276.336 1.419 0 50 CDAA Cc1ccc2nc(C(=O)NCCn3nc(C)nc3C)cn2c1 91849369 DWCCPROLWGDNBN-UHFFFAOYSA-N 298.350 1.281 0 50 CDAA O=C(C[C@H]1CCc2ccccc21)N1CCN(CCO)CC1 91636767 CLWHIGXAPVLBHV-OAHLLOKOSA-N 288.391 1.243 0 50 CDAA COC(=O)CC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 96898506 YTCSCDOENDCHCN-VIFPVBQESA-N 271.313 1.376 0 50 CDAA COc1cc(F)c(C(=O)N2CCC[C@@H]2CN)cc1OC 237296999 YVXNEELFBIKXBX-SECBINFHSA-N 282.315 1.406 0 50 CDAA O=C(O)C(F)(F)[C@@]12O[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@H]([C@@H]3[C@@H]52)[C@@H]41 239309708 HTTSLVFOIBKDFR-ZZZXDNFNSA-N 254.232 1.232 0 50 CDAA Cc1nc(-c2cccc(-n3cccn3)c2)n(CCO)n1 96131595 URTPUXSCNCZIFL-UHFFFAOYSA-N 269.308 1.432 0 50 CDAA Cc1cnc(N)nc1NCCCCCN1CCOCC1 91626073 OPGBSKLKHCPVQN-UHFFFAOYSA-N 279.388 1.282 0 50 CDAA O=C(NCCNc1cccnc1)[C@@H]1COc2ccccc2C1 95531738 WFTZANWBFMZTHE-AWEZNQCLSA-N 297.358 1.861 0 50 CDAA CCOC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 238291856 QCUSDDNIDDPFGO-LLVKDONJSA-N 287.356 1.966 0 50 CDAA O[C@H]1CCN(c2ccnc(-c3ccc4c(c3)OCO4)n2)C1 97674445 MHBCBELSHZSAPX-NSHDSACASA-N 285.303 1.443 0 50 CDAA Cc1ccccc1OC1CCN(c2cc(N)nc(N)n2)CC1 95523514 KTCSNRYSSYFYRM-UHFFFAOYSA-N 299.378 1.997 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccncc1 247707859 GLDIAQKUQXIAHS-SNIKSBKOSA-N 266.300 1.639 0 50 CDAA COC(=O)c1cn([C@H](C(=O)O)C(C)C)cc2c(O)nnc1-2 524731298 RYEUBKKKEOQFGP-JTQLQIEISA-N 293.279 1.157 0 50 CDAA biogenic COCCN1C[C@@H](Cc2cc(C(C)C)nc(C)n2)CC1=O 244716190 LKGMSMULJQZKKP-ZDUSSCGKSA-N 291.395 1.946 0 50 CDAA Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2cccc(O)c2)n1O 604418482 YVRVFEOTDSRGKE-CYBMUJFWSA-O 291.327 1.479 0 50 CDAA CC(=O)N(C)[C@H]1CCN(CCCc2cccnc2)C1 252487807 IBTQIBYBCXUGPA-HNNXBMFYSA-N 261.369 1.567 0 50 CDAA C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)O 299752461 UEQRJEIOZSWZMW-IJLUTSLNSA-N 285.340 1.036 0 50 CDAA CN1C(=O)N[C@@H]2CN(c3ccncc3Cl)CC[C@@H]21 299741003 CSQMUMDMMQOOTR-KOLCDFICSA-N 266.732 1.337 0 50 CDAA Cc1c(Cl)cccc1OCC(=O)N1CC[C@H](N)C1 299739459 ORZUSHRJCDGRSV-JTQLQIEISA-N 268.744 1.587 0 50 CDAA O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1Cn1ccnn1 299745986 UMVMHTJNHINEMB-NSHDSACASA-N 296.334 1.459 0 50 CDAA Cc1cnc(C)c(NCCCN2CCC(C(N)=O)CC2)n1 534586378 XHMPWANEUIIYBP-UHFFFAOYSA-N 291.399 1.093 0 50 CDAA CCS(=O)(=O)N1CCN(c2ccccc2)CC1 475774 XROOSWMTRFPMKA-UHFFFAOYSA-N 254.355 1.158 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1ncoc1C 534640126 BYGNXFPPMOVYHK-QMMMGPOBSA-N 263.301 1.476 0 50 CDAA CCCc1nc(CNS(=O)(=O)N2CCCC2)cs1 534638336 QUDCRNLBNADQLH-UHFFFAOYSA-N 289.426 1.526 0 50 CDAA COC(=O)CNC(=O)Cc1c(F)cccc1Cl 1049054 MBDMYVCQNYEOCM-UHFFFAOYSA-N 259.664 1.311 0 50 CDAA COCCN1C[C@H](Cc2ccc(O)c(C)c2)CC1=O 299765416 GKHIYAPRSNNAGT-CYBMUJFWSA-N 263.337 1.738 0 50 CDAA Cc1cc(C)cc(NC(=O)NC[C@]2(O)CCNC2)c1 299774101 AFSKKXNPLRFAEG-AWEZNQCLSA-N 263.341 1.149 0 50 CDAA O=C(N[C@@H]1CCC[C@H]1O)c1cccc([C@H]2CCOC2)c1 270969735 ZUFFGDBIVKKTIP-RRFJBIMHSA-N 275.348 1.834 0 50 CDAA COC(=O)Cc1cc(O)nc2c(F)c(F)ccc12 675082168 VJIBEPNNIQWKTJ-UHFFFAOYSA-N 253.204 1.934 0 50 CDAA O=c1ccn(-c2ccccn2)n1CC1(Br)CC1 585137041 FNIYQBMTKKYKLU-UHFFFAOYSA-N 294.152 1.962 0 50 CDAA CC(=O)c1ncc(C(=O)N2CC[C@H](O)CC(C)(C)C2)s1 670459273 NSVGPSOKRGKMJJ-JTQLQIEISA-N 296.392 1.969 0 50 CDAA Cn1cc(CCCn2cnc3cccc(F)c3c2=O)cn1 670468346 MKFCGWKQOAMISW-UHFFFAOYSA-N 286.310 1.902 0 50 CDAA CC1(COC(=O)CC[C@@H]2CC[C@H](C(N)=O)O2)C[C@@H]2C[C@H]2C1 870390420 QGAFOVKSDJVAAY-ZDEQEGDKSA-N 295.379 1.779 0 50 CDAA Cc1nnc(Cn2nc(C(F)(F)F)ccc2=O)s1 271601960 ZRMPBRIQROTFDP-UHFFFAOYSA-N 276.243 1.470 0 50 CDAA COCCOc1ccc(CNc2cnnc(O)c2)cn1 1875378745 DEXBEWFFBGOMKS-UHFFFAOYSA-N 276.296 1.215 0 50 CDAA NCc1cccc(CNC(=O)c2cc([C@H]3CCCN3)[nH]n2)c1 1875316038 RQCGJKVNPJQWMT-CYBMUJFWSA-N 299.378 1.223 0 50 CDAA CO[C@@H](CS(=O)(=O)Nc1c[nH]c2nccc-2c1)C(C)C 952992894 DLSFBGRGCQDMKG-LBPRGKRZSA-N 297.380 1.927 0 50 CDAA Cc1cn(C)c(CN2CCO[C@@H](c3cnn(C)c3)C2)n1 1875291851 NOWZBWYJAHPMGZ-CYBMUJFWSA-N 275.356 1.036 0 50 CDAA COc1cccc([C@H](C)C(=O)N2C[C@H](CO)C[C@H]2CO)c1 1875273544 IFNYRBCPOWNENS-SCRDCRAPSA-N 293.363 1.000 0 50 CDAA CC[C@H](c1ccccn1)N(C)S(=O)(=O)N1CCCC1 952982627 ZHGGXGOUYXJKMA-CYBMUJFWSA-N 283.397 1.805 0 50 CDAA C[C@@]1(C2CC2)COCCN1C(=O)c1nnc(C2CC2)o1 890590511 JGTTVSVVBQHRQN-AWEZNQCLSA-N 277.324 1.588 0 50 CDAA Cc1ccncc1C(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 1775957804 OBQPZUCWADDLSJ-UONOGXRCSA-N 286.335 1.843 0 50 CDAA CCOc1cc(C(=O)NC[C@@H]2C[C@H]2c2cccnc2)[nH]n1 1775988206 ZEWSPLANCQFUAB-RYUDHWBXSA-N 286.335 1.737 0 50 CDAA Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CSCN3)C2)n1 167086997 MWWAXUPMVCOGTJ-GHMZBOCLSA-N 297.449 1.820 0 50 CDAA Cc1oc2ccccc2c1C(=O)N1CCOC[C@@H]1C(N)=O 185981203 PNFQEZDKGUHIDO-LLVKDONJSA-N 288.303 1.068 0 50 CDAA O=C(CSCc1ccncc1)N[C@@H]1CCOC1 170687762 GPNQTKICMASVMX-LLVKDONJSA-N 252.339 1.220 0 50 CDAA C[C@H]1CN(c2ncncc2Br)CCC1=O 170606495 BLPZAUSXWZKLHB-ZETCQYMHSA-N 270.130 1.654 0 50 CDAA Cc1nc(C)c(CCNC(=O)N[C@@H](C)C(=O)N(C)C)s1 170994082 CXIDABQRGYPFAT-VIFPVBQESA-N 298.412 1.078 0 50 CDAA COC1(C(=O)Nc2nc(C(N)=O)cs2)CCCCC1 186667624 PCWYODRDPXHLKO-UHFFFAOYSA-N 283.353 1.530 0 50 CDAA O=C(O)Cn1ccc(=NC(=O)C2CCC=CCC2)[nH]1 634803757 JRYIOKKBQIYLEF-UHFFFAOYSA-N 263.297 1.075 0 50 CDAA O=C1C[C@H]2[C@H](CCN2C(=O)OCc2ccccc2)N1 97758972 CLSSDUTXLXOEQY-RYUDHWBXSA-N 260.293 1.286 0 50 CDAA in-vitro Cc1cccc(NC(=O)NCC[S@@](=O)C(F)(F)F)n1 585140953 NFKZOLVPLNOGHN-LJQANCHMSA-N 295.286 1.780 0 50 CDAA C[C@H](NC(=O)[C@@H](C)c1cnn(C)c1)c1cncc(F)c1 679815131 AILXJPPKTAHJEE-UWVGGRQHSA-N 276.315 1.935 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N1CC(=O)N(C)c2ccccc21 188864828 DMPVKRAIWOUPCW-VXGBXAGGSA-N 288.347 1.811 0 50 CDAA Cc1cccc2nc(N3CC(S(C)(=O)=O)C3)sc12 407976577 NWFULKOZSRWNAQ-UHFFFAOYSA-N 282.390 1.838 0 50 CDAA CS(=O)(=O)[C@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 407964297 ITWDHNUQZIOGFD-NSHDSACASA-N 271.382 1.068 0 50 CDAA CC(C)(C)c1cc(C(=O)N2CCc3cncnc3C2)no1 408223804 LMLAGXYCCZMLBI-UHFFFAOYSA-N 286.335 1.961 0 50 CDAA COCc1ccsc1C(=O)N1CCC[C@H](C(=O)O)C1 190476970 PORULWSSKAGRLP-VIFPVBQESA-N 283.349 1.831 0 50 CDAA CCc1nc(CC)n(Cc2nnc([C@H]3CCCOC3)o2)n1 643647134 JYKLIDUFWDRKFG-JTQLQIEISA-N 291.355 1.728 0 50 CDAA C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cnn(CC(=O)O)c1 647744992 NZHHIDPRYUQMDT-ZYHUDNBSSA-N 295.339 1.502 0 50 CDAA O=c1c2ccncc2ncn1CCN1CCCCC1 194433265 RPITYEISJUJJHW-UHFFFAOYSA-N 258.325 1.277 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)c2cnc3ccccn3c2=O)[nH]1 1506405990 PDHPYCJROBMHCF-SNVBAGLBSA-N 297.318 1.217 0 50 CDAA CN(C)c1nccnc1N(C)CCCn1cccn1 1506397511 VTNTYKHMYQJIRW-UHFFFAOYSA-N 260.345 1.266 0 50 CDAA CCc1c(C)noc1NC(=O)[C@@H](C)N1CCN(C)CC1 1506396594 CQYMWXLGZSSZRB-LLVKDONJSA-N 280.372 1.120 0 50 CDAA CC[C@@H](NC(=O)CCc1cn[nH]c1)c1ncc(C)[nH]1 1506398610 UILCQZXFYQOGDP-LLVKDONJSA-N 261.329 1.641 0 50 CDAA Cc1nn(C)cc1NC(=O)CCCN1CCCCC1=O 1529147415 YYEZBOIBSJTDGK-UHFFFAOYSA-N 278.356 1.460 0 50 CDAA Cc1c(C(=O)N(C)[C@@H](C)c2ccncn2)ccn1C 1857692183 RTUBLBARJSDHOQ-NSHDSACASA-N 258.325 1.957 0 50 CDAA Cn1nc(-c2ccc(-c3cn[nH]c3)cc2)ccc1=O 1875243566 MPTARYLSZGIVTR-UHFFFAOYSA-N 252.277 1.837 0 50 CDAA CC1(C)[C@@H]2CC[C@@]1(C(=O)N=S(C)(C)=O)C(=O)C2 1263870569 BQFDJYBVZWBNAO-PELKAZGASA-N 257.355 1.636 0 50 CDAA Cc1oc(CNC(=O)CCn2ccnc2)cc1C(=O)O 1600847108 OCTBFFYBSGBXEM-UHFFFAOYSA-N 277.280 1.189 0 50 CDAA CCn1nc(C)c(S(=O)(=O)N(C)Cc2cc[nH]n2)c1C 330897292 ODJFAPDJCCKTFI-UHFFFAOYSA-N 297.384 1.064 0 50 CDAA O=c1c2ncsc2ncn1Cc1nc(C2CCC2)no1 1875292065 VJBVDKBLSPHUKL-UHFFFAOYSA-N 289.320 1.552 0 50 CDAA Cn1cnnc1CN1C[C@H](C(F)(F)F)OC(C)(C)C1 569546118 VYHZAYRUKRDLLS-MRVPVSSYSA-N 278.278 1.357 0 50 CDAA COC[C@@H](C)n1cc(C(=O)NCc2ocnc2C)c(C)n1 1614608395 TYQNAGZJCKPJLF-SECBINFHSA-N 292.339 1.625 0 50 CDAA CC(C)[C@@H](NC[C@@H]1CC(C(N)=O)=NO1)c1ccccc1 1615057323 RYZWQNFCMLRYLF-GXTWGEPZSA-N 275.352 1.604 0 50 CDAA CNS(=O)(=O)N1CCC[C@H](c2ccncc2)CC1 1616039027 RRLVVIHIZUJKPX-NSHDSACASA-N 269.370 1.115 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(Cc3ccc4c(c3)OCCO4)C[C@H]21 216993471 JHXOEVWICXMEQA-YABSGUDNSA-N 275.304 1.220 0 50 CDAA O=C([C@H](O)c1cccc(F)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775983484 YSSTTXCLMNPHGT-ZMJPVWNMSA-N 279.311 1.088 0 50 CDAA CCCc1cnc(C)nc1N1C[C@H]2CCN(C)C(=O)[C@H]2C1 1772811958 CNABWQZPIBMPJI-KGLIPLIRSA-N 288.395 1.652 0 50 CDAA Fc1ccc(C(N2CCOCC2)N2CCOCC2)cc1 19326206 XPRMZPGIFMALGL-UHFFFAOYSA-N 280.343 1.489 0 50 CDAA CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]1C[C@@H]1c1cccnc1 1857532183 NPDWBZSXWCPOSL-YVECIDJPSA-N 260.337 1.461 0 50 CDAA OC[C@@H](O)CCn1ccnc1-c1cccc2ncccc12 1857689381 OIYBJSJSHCFJGG-LBPRGKRZSA-N 283.331 1.842 0 50 CDAA Cn1cc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)nc1O 606444425 ZLIUKYWUXANCSP-QMMMGPOBSA-N 291.273 1.930 0 50 CDAA O=C(NCc1cc2ccccc2o1)[C@H]1C[C@H]1C(=O)O 521361300 UJWXOCMCLHYDNT-WDEREUQCSA-N 259.261 1.770 0 50 CDAA COC[C@@]1(C(=O)O)CCN(C(=O)Nc2cncc(F)c2)C1 314233286 QLCDSPMIMCEUPN-CYBMUJFWSA-N 297.286 1.176 0 50 CDAA C[C@H]1OCCN(Cc2ncnn2C(C)(C)C)[C@@H]1C(=N)O 330574244 QAFFFPGLJVJMBM-KOLCDFICSA-N 281.360 1.158 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)c1cccc2cc[nH]c12 129331422 KXBOBPODYNAHNJ-NSHDSACASA-N 288.303 1.484 0 50 CDAA CN1CC[C@@H]2CN(C(=O)c3nc4ccccc4nc3O)C[C@@H]21 253612860 HHYUYRTZOIHMPX-MFKMUULPSA-N 298.346 1.112 0 50 CDAA COCC1(C(=O)N[C@@H]2CCCCC[C@H]2O)CCOCC1 367941901 JUMYDVUAJBBWRB-CHWSQXEVSA-N 285.384 1.239 0 50 CDAA CC(C)n1cc(S(=O)(=O)N(C)c2cccnc2)cn1 266198420 SACOSHMJODGKJE-UHFFFAOYSA-N 280.353 1.684 0 50 CDAA Cc1ccn(Cc2nc([C@H](C)[C@H]3CCCO3)no2)n1 903825437 RGDOQVKZFIHYLH-GHMZBOCLSA-N 262.313 1.905 0 50 CDAA CN(Cc1cn(C)nn1)[C@@H](C(=O)O)c1cccc(Cl)c1 905374218 SDGVHXVYVIYXLX-GFCCVEGCSA-N 294.742 1.726 0 50 CDAA CN[C@H]1CCN(C(=O)c2ccnc3[nH]c(CC4CC4)nc23)C1 911657105 RZTHTBXGNDOYKE-NSHDSACASA-N 299.378 1.344 0 50 CDAA CN1CC[C@H]1CNC(=O)c1cc(O)nc2c1CCCC2 830134424 DHAJGBDTTSNOKF-JTQLQIEISA-N 275.352 1.100 0 50 CDAA CC(C)Oc1c[nH]ccc1=NC(=O)N1CCOCC[C@@H]1C 934645445 RLEHZFZAFXRBIX-LBPRGKRZSA-N 293.367 1.933 0 50 CDAA COc1cc(O)ncc1C(=O)N1CC(CC(F)(F)F)C1 934681375 MGIARDHMKHBDAL-UHFFFAOYSA-N 290.241 1.820 0 50 CDAA C[C@@](O)(C(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2)c1ccc(F)cc1 936053592 OPJRSHUCAFJXAW-CFMVVWHZSA-N 293.338 1.405 0 50 CDAA CCn1ncc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)n1 839012584 VGELGHIBPFXXEL-GFCCVEGCSA-N 291.399 1.321 0 50 CDAA CCSCCC(=O)NCCc1c(C)n[nH]c1C 221389299 XRFWEBZPCOLKAF-UHFFFAOYSA-N 255.387 1.828 0 50 CDAA O=C(CCc1ccc(F)c(F)c1)N[C@@H]1COCC[C@H]1O 223597041 PIUYNRVUKPBRLQ-CHWSQXEVSA-N 285.290 1.163 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NC1CCCCC1 225750314 GZKYSVJIFDTBCI-WISYIIOYSA-N 265.309 1.090 0 50 CDAA CCN1C(=O)C[C@H](Nc2ccc(N(C)C)cc2)C1=O 4317715 MSIOMBOLKNTZLZ-LBPRGKRZSA-N 261.325 1.312 0 50 CDAA O=C(NCC1(CO)CCC1)[C@H]1OCCc2ccccc21 183263519 GCZRDGJROXPDDV-AWEZNQCLSA-N 275.348 1.579 0 50 CDAA Cc1nc(C(=O)N2CCO[C@H](CC(=O)O)C2)c(C)s1 191009050 MBBIAPDSHCLVHM-SECBINFHSA-N 284.337 1.076 0 50 CDAA O=C(CN1CCO[C@@H](C(F)(F)F)C1)N1CCCCC1 71589563 YBAYGXNKPSTCIV-SNVBAGLBSA-N 280.290 1.262 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(F)c2Cl)C1 311865630 VXYPDSFHMOWYQB-DTWKUNHWSA-N 287.718 1.701 0 50 CDAA CCN=c1ccnc(-c2cccc(CC(=O)O)c2)[nH]1 2100480696 QKMNMFDTAJIYLQ-UHFFFAOYSA-N 257.293 1.624 0 50 CDAA COC[C@@]12COC[C@@H]1CN(C(=O)c1cc(C(C)C)no1)C2 2100544827 KXCACNMLZPYKQQ-NHYWBVRUSA-N 294.351 1.533 0 50 CDAA C[C@@H]1OCCN(C(=O)N=c2ccn(C(F)F)[nH]2)[C@@H]1C 2325769497 KAWLUNFGCINBEM-SFYZADRCSA-N 274.271 1.341 0 50 CDAA C[C@H](O)[C@H]1CCN(C2=NCCN2Cc2ccccc2)C1 2325841861 IBGVAPODXZBQBK-ZFWWWQNUSA-N 273.380 1.561 0 50 CDAA CN[C@H]1CCN(S(=O)(=O)c2cccc3cnccc23)C1 133047820 XMHHQYPHTVJOIF-LBPRGKRZSA-N 291.376 1.217 0 50 CDAA Cc1sc(NC(=O)CCC(=O)O)c(C(N)=O)c1C 38521 HAANHXDCIYFTLE-UHFFFAOYSA-N 270.310 1.267 0 50 CDAA CCN(CC)S(=O)(=O)c1cccc2nonc12 105004 OCBJGLRWDZQVFW-UHFFFAOYSA-N 255.299 1.253 0 50 CDAA C[C@H](NC(=S)NC[C@@H]1CCCO1)c1ccncc1 609509 WSMCYQYINUJDKG-JQWIXIFHSA-N 265.382 1.786 0 50 CDAA CNc1nc(N)c(C(=O)Nc2cc(C)on2)s1 1422101 AJJHFAUZCZNPMY-UHFFFAOYSA-N 253.287 1.316 0 50 CDAA O=C(c1nnc2n1CCCC2)N1CCc2ccccc2CC1 2356163874 VNWJEEAGJNAKJF-UHFFFAOYSA-N 296.374 1.855 0 50 CDAA COc1ccccc1OCCCCCNCCO 2900832 SCSHQWBLMWRUFZ-UHFFFAOYSA-N 253.342 1.826 0 50 CDAA CN1C(=O)C[C@H](Nc2ccc(N3CCCCC3)cc2)C1=O 4317791 NEISDAKZKNTOED-AWEZNQCLSA-N 287.363 1.846 0 50 CDAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1 4425506 LOBCDGHHHHGHFA-LBPRGKRZSA-N 292.360 1.748 0 50 CDAA in-vivo O=C1C[C@@H](c2ccco2)Cc2nc3ncnn3cc21 4502372 URGSWRCKINPGMC-QMMMGPOBSA-N 254.249 1.630 0 50 CDAA Nc1ccc(C(=O)NCCOCC(F)(F)F)cc1 4708927 UXAJUHMRLUXBIH-UHFFFAOYSA-N 262.231 1.578 0 50 CDAA COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc(F)c1 4809668 PFLLSEMCRCAECK-LLVKDONJSA-N 289.270 1.274 0 50 CDAA O=C(NCCc1ccccc1)C(=S)N1CCCC1 4826396 MUVJDVIMVUWVRW-UHFFFAOYSA-N 262.378 1.769 0 50 CDAA CCn1ccc(C(=O)Nc2ccccc2C(N)=O)n1 6741851 IPNIBMVXQIHJKS-UHFFFAOYSA-N 258.281 1.254 0 50 CDAA CN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2 6817147 YOTXRAMOGZFEOJ-UHFFFAOYSA-N 259.378 1.828 0 50 CDAA Nc1ccc(S(=O)(=O)NCCc2ccc(O)cc2)cc1 8020397 FSQFDAJUAUHCGU-UHFFFAOYSA-N 292.360 1.495 0 50 CDAA O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c1CCC2 8584680 GFJGWBGVLQJDFB-UHFFFAOYSA-N 296.374 1.585 0 50 CDAA Cc1nnc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)s1 101400585 FKCDIDGMESXYLE-JBDRJPRFSA-N 263.322 1.382 0 50 CDAA COC(=O)[C@H]1C(=O)CC(=O)C[C@@H]1c1cccs1 100096788 BGOFBJYATGXJII-LDYMZIIASA-N 252.291 1.553 0 50 CDAA COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 101357421 VEKIGZBUNOPUNV-FDYHWXHSSA-N 271.272 1.138 0 50 CDAA COC(=O)[C@H](C)NC(=O)Cc1ccc(F)cc1Cl 134867895 GBGHMKRXUAMJIO-ZETCQYMHSA-N 273.691 1.699 0 50 CDAA CC[C@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2CC 20868964 KHMKAFBGBAVBEA-NSHDSACASA-N 267.373 1.533 0 50 CDAA O=c1c2c(F)cccc2ncn1CC1CCOCC1 177379048 FYNWEIKEYKPULF-UHFFFAOYSA-N 262.284 1.962 0 50 CDAA CCC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 10302583 YTWYLCPLTWPJLG-RYUDHWBXSA-N 290.429 1.353 0 50 CDAA CC[C@@H](C(=O)NC)N(c1ccccc1F)S(C)(=O)=O 67601794 ILIDSDDSPCMSDS-JTQLQIEISA-N 288.344 1.116 0 50 CDAA Cc1c([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)cnn1C 249332399 XAPHCLGEBSWALL-FDEJFUCISA-N 290.411 1.826 0 50 CDAA CN(Cc1ccccc1)c1ncccc1CNC(=O)CN 67742671 GMARADAPMYODLG-UHFFFAOYSA-N 284.363 1.293 0 50 CDAA CCCO[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 67435408 YRLYCOVFLCGACB-GFCCVEGCSA-N 284.381 1.661 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1cnn2ccccc12 67921465 XKRFHOJIDLOXKN-GFCCVEGCSA-N 283.335 1.739 0 50 CDAA C[C@H](Cn1cccn1)NCCC(=O)NC1CCCCC1 65501029 RDNOWPLVYGHUFE-CYBMUJFWSA-N 278.400 1.700 0 50 CDAA CSc1c(C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)cnn1C 358775828 UTJLMEFDKZYNSR-FKTZTGRPSA-N 267.354 1.192 0 50 CDAA CN(C)c1cccc(S(=O)(=O)N[C@H]2CCCOCC2)c1 332349436 VDOHHEYVJCFTOD-LBPRGKRZSA-N 298.408 1.600 0 50 CDAA COc1ccc(-n2c(CN3CCCC3)n[nH]c2=O)c(C)c1 65531169 GNLIYCMIEKPBAT-UHFFFAOYSA-N 288.351 1.473 0 50 CDAA O=C(c1c[nH]nc1C1CC1)N1CC[C@@H](Oc2ccncc2)C1 354362024 LCSWTKHPFRMAMT-CYBMUJFWSA-N 298.346 1.976 0 50 CDAA C[C@H]1C[C@@H](C(=O)N(CCO)C2CCC2)CCN1C 356009332 NFEBLIVRMDNVIW-RYUDHWBXSA-N 254.374 1.090 0 50 CDAA Cc1cnc(C)c(N2CCC[C@@H](C(=O)c3nccn3C)C2)n1 77353796 TZMWWJNYGKSVPH-CYBMUJFWSA-N 299.378 1.926 0 50 CDAA CN(C)Cc1csc(CN(C)C[C@@H]2CC(=O)N(C)C2)c1 215738556 DXNWEAPOALUYNB-LBPRGKRZSA-N 295.452 1.720 0 50 CDAA O=C(CN1CC(F)(F)C[C@@H]1CO)N1CCc2ccccc21 364589572 FGQHOGVLTSCVHY-GFCCVEGCSA-N 296.317 1.278 0 50 CDAA CC(C)(C)n1cc(C(=O)N2CC[C@](C)(C(=O)O)C2)cn1 236762990 OYLNFHIMYUAICQ-AWEZNQCLSA-N 279.340 1.575 0 50 CDAA COc1cccc(OCC(=O)N2CC[C@H](N)C[C@@H]2C)c1 237277635 LCBFSBVOTPYUIY-RYUDHWBXSA-N 278.352 1.412 0 50 CDAA C[C@@H](CN(C)C(=O)[C@@]1(C)CC=CCC1)c1nn[nH]n1 333649841 DWXQPQOBBHDUSA-GWCFXTLKSA-N 263.345 1.508 0 50 CDAA C[C@H](CN(C)C(=O)[C@@]1(C)CC=CCC1)c1nn[nH]n1 333649846 DWXQPQOBBHDUSA-MFKMUULPSA-N 263.345 1.508 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CCCN([C@@H](C)C(=O)O)C2)nc1 237484844 IATVCTQYSNDDBT-NWDGAFQWSA-N 291.351 1.514 0 50 CDAA CC(C)OC[C@H]1CN(C(=O)c2ocnc2C2CC2)CCO1 368142874 NHXCCAMEPQJJSR-GFCCVEGCSA-N 294.351 1.818 0 50 CDAA CCOC(=O)C[C@@H]1CCCCN1C(=O)Cc1cccnc1 77406082 DUZAROOMVSIXCK-AWEZNQCLSA-N 290.363 1.958 0 50 CDAA CC/C=C(\C)C(=O)N1CC[C@@H](N=c2ccc3nccn3[nH]2)C1 369649721 UGQDQMAPWOJGBW-YKAQBRKTSA-N 299.378 1.520 0 50 CDAA Cc1ccc(F)cc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 284589521 MBKYYVFXEQEDED-BXKDBHETSA-N 264.300 1.328 0 50 CDAA CO[C@@H]1CN(Cc2nc(-c3ccsc3)oc2C)C[C@H]1O 451747724 GCSJCYCTOXNBRL-CHWSQXEVSA-N 294.376 1.903 0 50 CDAA CC(C)n1nccc1[C@H]1OCC[C@@H]1NCc1cncnc1 284798489 RZYREORGCDVUMQ-ZFWWWQNUSA-N 287.367 1.874 0 50 CDAA CCOC(=O)c1nn(C)c(C)c1I 72226917 HOLCGRANJIWLJO-UHFFFAOYSA-N 294.092 1.510 0 50 CDAA CSc1nc(C)cc(N2CCC3(CC2)CNC(=O)C3)n1 77374962 BTUPXUHREVMWLH-UHFFFAOYSA-N 292.408 1.613 0 50 CDAA O=C(C1CCC(F)(F)CC1)N1CC[C@@](F)(C(=O)O)C1 262788511 PDTBOYSYBPFMKM-NSHDSACASA-N 279.258 1.837 0 50 CDAA C[C@@H]1C(=O)N(Cc2ccccc2)CCN1C(=O)c1cn[nH]c1 216313954 OKTNTRVFSQABKJ-GFCCVEGCSA-N 298.346 1.283 0 50 CDAA COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCC(=O)O)c1 263138291 MHMCKWLTVOCJNS-GXSJLCMTSA-N 279.292 1.008 0 50 CDAA Cc1nonc1C(=O)N1CCC(c2ncc[nH]2)CC1 72412420 VMHRYQSSMAZNDX-UHFFFAOYSA-N 261.285 1.121 0 50 CDAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCS[C@@H]2COCC[C@H]21 136568397 NERAOMWROXOGCW-ODXJTPSBSA-N 279.405 1.932 0 50 CDAA Cc1cc2c(cc1C)[C@@H](C(=O)N1CC(CN(C)C)C1)CO2 615505074 NEOASGDVOTWKRE-HNNXBMFYSA-N 288.391 1.799 0 50 CDAA Cn1nccc1[C@@H]1CCC[C@H](NC[C@H](O)[C@@H]2CCCO2)C1 527955062 MBRYMOCXHBKDQA-VRKREXBASA-N 293.411 1.576 0 50 CDAA Cc1c(C(=O)N2CCC(n3cnnc3)CC2)ccn1C 426507828 DRIVOKPFDVTPPR-UHFFFAOYSA-N 273.340 1.402 0 50 CDAA CC(C)(C)OC(=O)N1CCC(CN2CCOCC2)CC1 82322690 HEBJLJUIVLSYED-UHFFFAOYSA-N 284.400 1.966 0 50 CDAA CCOc1cccnc1C(=O)N1CC[C@H](C(=O)O)C1 178275078 SUEXRBZEFSSCCT-VIFPVBQESA-N 264.281 1.027 0 50 CDAA O=C1C[C@@]2(CCN(c3ncncn3)C2)Oc2ccccc21 220544171 BBGRNPZTDKJVEB-OAHLLOKOSA-N 282.303 1.486 0 50 CDAA CC(C)n1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)n1 336481360 HRRWQUCBUMDTOS-NSHDSACASA-N 273.340 1.474 0 50 CDAA CC(C)Oc1cccc(C(=O)N[C@@H]2CCCCNC2=O)n1 179000172 GWJKWPDRALPDMH-LLVKDONJSA-N 291.351 1.267 0 50 CDAA COCC1(CNC(=O)c2cc(CC(C)C)nn2C)CC1 91724715 KTMKAFCZOYRXMV-UHFFFAOYSA-N 279.384 1.775 0 50 CDAA CCN1CCC[C@@](C)(C(=O)NCCc2cc[nH]n2)C1 426727314 CJQRMKWHALAICS-CQSZACIVSA-N 264.373 1.190 0 50 CDAA CCNc1ncc(C(=O)N(C)CCn2ccnc2C)cn1 92046099 QOZOSIJZGKWNLW-UHFFFAOYSA-N 288.355 1.186 0 50 CDAA CCc1nnc(CNC(=O)CC[C@@H]2CCCN(C)C2)s1 95356923 GPEXQXKAGXNNRR-NSHDSACASA-N 296.440 1.839 0 50 CDAA Cc1cnc(CN(C)C(=O)c2ccccc2-n2cnnc2)[nH]1 426386846 DCPWOAJJMQTSEY-UHFFFAOYSA-N 296.334 1.571 0 50 CDAA O[C@@H](CNc1ccncn1)COC1CCCCC1 91594655 CRAIDYNALCYNDR-NSHDSACASA-N 251.330 1.599 0 50 CDAA Cc1nn(C)c2nc(NCCc3nccn3C)sc12 96141261 ZHGVXJNYDDQDAS-UHFFFAOYSA-N 276.369 1.726 0 50 CDAA CCCc1nc(C(=O)N[C@@H]2CCCCNC2=O)cs1 92028883 LORWAWIDHHBUDK-SECBINFHSA-N 281.381 1.494 0 50 CDAA N[C@H]1CN(Cc2cnc(N3CCCC3)nc2)C[C@@H]1C1CC1 92004543 GFZNGCZGWIFMIM-CABCVRRESA-N 287.411 1.246 0 50 CDAA Cc1cc(C)c2[nH]c(CN[C@@H]3CCNC3=O)cc(=O)c2c1 91664785 URCWQUBHWLQEGE-CYBMUJFWSA-N 285.347 1.123 0 50 CDAA CCc1cnc(N2CCC[C@H](CN3CCOCC3)C2)nc1 95386664 ALRGCLVFEODHPK-OAHLLOKOSA-N 290.411 1.588 0 50 CDAA Cc1nnc2n1[C@H](C)CN(C(=O)CCc1cccnc1)C2 96136248 GTWKNWPJCRAFOH-LLVKDONJSA-N 285.351 1.518 0 50 CDAA COc1ccc(/C=C/C(=O)N2CCC[C@@H]2CN)cc1OC 237305034 YJWWXMNTYOHCTM-STMXVASLSA-N 290.363 1.667 0 50 CDAA CCn1cc(CNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cn1 249690249 KENCYZMUXJVQSQ-ZDEQEGDKSA-N 291.351 1.266 0 50 CDAA COc1ccc([C@@H](NC2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 244718831 LRPHSNSGOSGIRH-IVMMDQJWSA-N 292.379 1.671 0 50 CDAA CC[C@H](NC(=O)c1ccc(F)c(O)c1)[C@H]1C[C@H](O)C1 244794711 QSARNQGSHKQDAI-NHCYSSNCSA-N 267.300 1.811 0 50 CDAA O=C(NC1(C(=O)O)CCCC1)c1cccc2c1OCO2 299745076 VZWCSNOHTOYJGN-UHFFFAOYSA-N 277.276 1.543 0 50 CDAA CC1=C(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)CCC1 864382898 OZAQUELDUIKGIO-SNVBAGLBSA-N 260.341 1.808 0 50 CDAA Cc1noc(CN(C)C(=O)NCCCOC2CCCC2)n1 534578277 NIUAZHBNIBHBGE-UHFFFAOYSA-N 296.371 1.869 0 50 CDAA CN(CC(=O)O)c1ncc(CN2C[C@@H]3CCC[C@H]2C3)cn1 534667447 RYWHQOXPHJDYCN-YPMHNXCESA-N 290.367 1.372 0 50 CDAA COCC1(CNC(=O)c2cnc(-c3ccccn3)nc2)CC1 534580448 UCUSJPWAOCEBQG-UHFFFAOYSA-N 298.346 1.695 0 50 CDAA Cc1cnn([C@H](C)CNC(=O)Cn2ccnc2C)c1 534661252 OHAOQGBKNUBYMB-LLVKDONJSA-N 261.329 1.074 0 50 CDAA CCn1nc(C)c(C(=O)N[C@H](C)c2ncnn2C)c1C 299795301 LBWYCFKYBXPALS-SECBINFHSA-N 276.344 1.139 0 50 CDAA COC(=O)c1cnc(C(=O)OC)c(C(F)(F)F)c1 642880835 ZPEVKRYZDQEQDY-UHFFFAOYSA-N 263.171 1.674 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2ccccc2-n2cncn2)n[nH]1 670464632 LBWAFQHKCYITAK-SECBINFHSA-N 297.322 1.185 0 50 CDAA O=C1CN(C2CCOCC2)CCN1Cc1ccccc1 670447238 PJVDZVBCIABGET-UHFFFAOYSA-N 274.364 1.510 0 50 CDAA C[C@@H]1C(=O)N[C@@H](c2ccccc2Br)C(=O)N1C 1875340311 VKVLHQXIIPBJPJ-XCBNKYQSSA-N 297.152 1.467 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCn3cccc3)n[nH]c21 1875394093 VCOSHGZHOWOMPY-MNOVXSKESA-N 288.351 1.663 0 50 CDAA O=C(O)C(NCc1ccn2ncnc2c1)(C1CC1)C1CC1 1875322976 QFBYDZJVKCSGBG-UHFFFAOYSA-N 286.335 1.462 0 50 CDAA CSCC[C@@H](C)NS(=O)(=O)c1cnc(N)c(C)c1 952995747 XSFVFCIKUYMRKF-SECBINFHSA-N 289.426 1.392 0 50 CDAA Cc1cc(CNS(=O)(=O)[C@H]2CC[C@H](C)C2)n[nH]1 1875298092 OBPVYQAJRCASOB-KWQFWETISA-N 257.359 1.326 0 50 CDAA Cc1noc(CN2C(=O)CCN(CC3(C)CC3)C2=O)n1 1875293423 PSULUSIRHDMKEU-UHFFFAOYSA-N 278.312 1.332 0 50 CDAA Brc1cc2c(N3CCOCC3)[nH]cnc-2n1 1875313628 RSHPHLPNKKHAOX-UHFFFAOYSA-N 283.129 1.509 0 50 CDAA Cc1c[nH]ccc1=NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1875392028 YSQYFYLRFUOLOP-PWSUYJOCSA-N 259.313 1.262 0 50 CDAA O=C(O)C1CN(C(=O)C2(N3CCCCC3)CCCCC2)C1 952965273 CLPVSGYJTTYXJQ-UHFFFAOYSA-N 294.395 1.718 0 50 CDAA C[C@@H]1CCCCN1CCN(C)S(=O)(=O)N1CCCC1 952962189 BSEFEVZYKCEHEI-CYBMUJFWSA-N 289.445 1.133 0 50 CDAA COC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 72324061 SIJUGBZUEMOBKB-MRVPVSSYSA-N 255.705 1.519 0 50 CDAA in-vitro CC(=O)c1cncc(C(=O)NCCC2(CN)CC2)c1 884384752 VVBUYJWLXIDOLX-UHFFFAOYSA-N 261.325 1.143 0 50 CDAA Cc1nonc1CC(=O)N1CCN(C)C[C@@H]1CC(C)C 886600198 OUUDZXARSDJTMA-LBPRGKRZSA-N 280.372 1.109 0 50 CDAA O=C(NCC[C@H]1CCCCO1)[C@@H]1C[C@H]2C=C[C@H]1NC2 888096306 AKVVOHRWIDBSSP-AAVRWANBSA-N 264.369 1.226 0 50 CDAA C=CC(=O)N[C@H]1c2cc(OC)ccc2CC[C@H]1OC 1775997287 FBEIQEVVZUUJCF-HIFRSBDPSA-N 261.321 2.000 0 50 CDAA C=CC(=O)Nc1ccc(OCCN(C)C)cc1OC 1335325071 XUXCRVIUGYYVNU-UHFFFAOYSA-N 264.325 1.760 0 50 CDAA O=C(N[C@H]1COCC[C@@H]1Oc1ccccn1)c1cc[nH]c1 1565514851 MIUSHGBWXOGACS-STQMWFEESA-N 287.319 1.376 0 50 CDAA C(CN1CCOCC1)NC1C2CC3CC(C2)CC1C3 19636635 BSUNWRLDTPWIDK-UHFFFAOYSA-N 264.413 1.733 0 50 CDAA CN(CCC(=O)O)C(=O)c1ccc2ccn(C)c2c1 630136969 KKTAFYJVLBAIHH-UHFFFAOYSA-N 260.293 1.725 0 50 CDAA C[C@@H]1CCN(C(=O)CS(C)(=O)=O)c2c(O)cccc21 274418421 XHFGLYKXHHCIRB-SECBINFHSA-N 283.349 1.277 0 50 CDAA CO[C@@H]1CCCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C1 275485604 JJRRBPXEIDPYJH-HZSPNIEDSA-N 293.367 1.135 0 50 CDAA CC1(S(=O)(=O)NC(=O)c2ccnn2C2CCCC2)CC1 408334820 QSLGIOFJJZBHAD-UHFFFAOYSA-N 297.380 1.610 0 50 CDAA C[C@H]1OCC[C@@H]1NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 408474281 NXJBDGYVMGUQOC-NDBYEHHHSA-N 284.400 1.914 0 50 CDAA C[C@H](O)CN(C(=O)Nc1ccsc1)[C@H](C)CO 190087564 FOQZJHVTYIJYPL-BDAKNGLRSA-N 258.343 1.344 0 50 CDAA O=C(NCCN1CC=CCC1)c1ccc(Cl)o1 225432456 SADAZRLHLKTJFG-UHFFFAOYSA-N 254.717 1.925 0 50 CDAA CCSc1ccc(C(=O)NCc2nnc[nH]2)cc1 225560322 AKXSDTPQJIKJSW-UHFFFAOYSA-N 262.338 1.847 0 50 CDAA CCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCO[C@H]1C 190435955 NBCKWSLRQZKPLB-WCQYABFASA-N 265.357 1.584 0 50 CDAA COC[C@]1(C(N)=O)CCCN1Cc1ccc2ncccc2c1 643762546 AXLWUEDYPVBBSJ-KRWDZBQOSA-N 299.374 1.701 0 50 CDAA CCc1ccccc1NC(=O)Cn1cc(CO)c(C)n1 585122941 KASUFRVGOLVZHD-UHFFFAOYSA-N 273.336 1.885 0 50 CDAA COc1ccccc1CN[C@H](C)[C@H]1CN(C)CCN1C 585117532 JRCYAESXUDYRND-UKRRQHHQSA-N 277.412 1.419 0 50 CDAA NCCCCNC(=O)c1cnc(O)c2ccccc12 646956785 PRHLOKDXQXIZEA-UHFFFAOYSA-N 259.309 1.409 0 50 CDAA Cc1cccc(C(=O)N[C@H](C)C(=O)NCCCCO)c1 192949825 ARSAMKVYTQXYAN-GFCCVEGCSA-N 278.352 1.002 0 50 CDAA O=C(Nc1ccncn1)Nc1ccn(Cc2ccncc2)n1 194056170 WVSCFYZURGBPBF-UHFFFAOYSA-N 295.306 1.760 0 50 CDAA CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCCC2)CC1 195402580 VDEQYMAPPILCBO-NSHDSACASA-N 282.384 1.461 0 50 CDAA CCSC1(CNC(=O)NCc2nccn2C)CC1 595517654 XGZOCULHXGHWDO-UHFFFAOYSA-N 268.386 1.505 0 50 CDAA C[C@H](CN(C)CCO)NC1(c2cc(F)ccc2F)CC1 1506407898 KUXQCNDBPZSJKL-LLVKDONJSA-N 284.350 1.856 0 50 CDAA Cc1nncn1CCN(C)Cc1ccc2nsnc2c1 1506397350 SKYYSHVZJVGABE-UHFFFAOYSA-N 288.380 1.723 0 50 CDAA CCCCCc1nnc(NC(=O)[C@H]2C=CCN2)s1 1529177666 COJURKOTYSXGPL-SECBINFHSA-N 266.370 1.737 0 50 CDAA Cc1noc([C@H]2CCN(S(=O)(=O)c3ccco3)C2)n1 408032434 XBVZOIQGRURRCV-VIFPVBQESA-N 283.309 1.149 0 50 CDAA CCCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)O)C1 236789564 WMCGKIYWUQTHTJ-QWRGUYRKSA-N 256.346 1.088 0 50 CDAA CCc1ncn(CC(=O)N[C@@H]2CCCC[C@H]2C)n1 241371385 MNDWHDBKPCZRCB-GHMZBOCLSA-N 250.346 1.535 0 50 CDAA COC1(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCC1 1615001025 JPEGVEQTJLYLBJ-UKRRQHHQSA-N 274.364 1.687 0 50 CDAA CCc1nnc(N2CCN(c3ccnnc3)CC2)nc1CC 1615572858 CAGFILLJQHDKBN-UHFFFAOYSA-N 299.382 1.113 0 50 CDAA O=C(O)CCN1CCCN(C(=O)CC2CCCC2)CC1 262255006 QEOXRDHHRXWIEF-UHFFFAOYSA-N 282.384 1.576 0 50 CDAA CCCc1cnc(C)nc1NC1(C(=O)O)CCOCC1 1772700338 BXTSDGJBWIJDAK-UHFFFAOYSA-N 279.340 1.783 0 50 CDAA Brc1cnc2ccc(N3CCNCC3)cn12 1772572595 QTYMTWYQVMKFGI-UHFFFAOYSA-N 281.157 1.506 0 50 CDAA Cc1nc(COC[C@@H]2CCCO2)n(-c2ccnn2C)n1 1772804232 JRPMSEHUAQFDLY-NSHDSACASA-N 277.328 1.005 0 50 CDAA CCOc1ccccc1-c1nnc(SCC(N)=O)o1 15019467 SNQSJJQLWIJSGY-UHFFFAOYSA-N 279.321 1.713 0 50 CDAA CN(Cc1ccccc1-c1nnn[nH]1)C[C@H]1CCCCO1 19743598 YHQICHCNMHNRBB-CYBMUJFWSA-N 287.367 1.868 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2-c2cc(C)oc2C)C1 601044054 MFLRXCFEORMOQA-JTQLQIEISA-N 275.308 1.890 0 50 CDAA Cn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccon1 619294694 OMFZOLKANVAIBF-GXFFZTMASA-N 290.323 1.306 0 50 CDAA Cc1nn(C)cc1[C@H](C)NC(=O)N(C)Cc1cnn(C)c1 332262565 ALOKOBAEMMHZSD-JTQLQIEISA-N 290.371 1.365 0 50 CDAA CS(=O)(=O)C1(C(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)CCC1 333980896 ANUABVGVMPXLIB-QWHCGFSZSA-N 297.420 1.601 0 50 CDAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC12COC2 238850639 CGBYSXYQRGWJGI-AWEZNQCLSA-N 275.348 1.698 0 50 CDAA in-vitro COc1cccc([C@H](CO)NCc2cnn3c2CCC3)c1 657374187 GRNUXMVATHFSJA-HNNXBMFYSA-N 287.363 1.661 0 50 CDAA C[C@@](O)(CN1CC[C@@H](c2c(F)cccc2F)C1)C(=O)O 577957841 JZYCTNLMNDNQPW-YMTOWFKASA-N 285.290 1.590 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)CN1CCCC1 386347387 AVXSWYMVIPYYFX-AJNGGQMLSA-N 296.411 1.161 0 50 CDAA CCc1[nH]ccc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)O)C[C@@H]21 907968073 VMDTWZQEFKEXOB-LKAMGYQZSA-N 276.336 1.806 0 50 CDAA COc1cc(C(=O)N2CC(CC(F)F)C2)ncn1 823281600 WDKFXNKRJMLKLI-UHFFFAOYSA-N 257.240 1.212 0 50 CDAA Cc1nnc(CN2CCC[C@@H](c3ccn(C)n3)C2)o1 932137427 VRUAFBYMMNBLSP-LLVKDONJSA-N 261.329 1.491 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)O)c3ccccc32)O1 222266228 MLLIJIHVXWWDQM-IRUJWGPZSA-N 275.304 1.769 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CN)cc1 226342944 IQOXATNFVUCMPI-FZMZJTMJSA-N 298.408 1.443 0 50 CDAA CN1CCN(C)[C@H](CNc2nccc3ccccc23)C1 168687885 PBBKXKGOLUOMEI-CQSZACIVSA-N 270.380 1.893 0 50 CDAA CNS(=O)(=O)[C@H]1CCN(C(=O)CC2=CCCCC2)C1 153877502 LEISIFKRNZOZEZ-LBPRGKRZSA-N 286.397 1.027 0 50 CDAA COC(=O)C(C)(C)NC(=O)CCc1ccncc1 259573456 DPYSOKVDDZJWDP-UHFFFAOYSA-N 250.298 1.082 0 50 CDAA COC[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 262426286 RCTLERHYSWOXFL-YFKTTZPYSA-N 269.341 1.513 0 50 CDAA C[C@@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)CCCO1 263551878 WVXHYWBCGBZING-LLVKDONJSA-N 277.320 1.565 0 50 CDAA C[C@H]1CCN(C(=O)c2ccn([C@H]3CCCNC3)n2)C1 275403835 BHQRZLIUIDGXCK-RYUDHWBXSA-N 262.357 1.290 0 50 CDAA O=C(CC(F)(F)F)N1CCCC[C@H]1c1nc[nH]n1 181175050 ACXBFSDQGHVTKS-ZETCQYMHSA-N 262.235 1.811 0 50 CDAA Cc1ccccc1-c1noc(CN(C)S(C)(=O)=O)n1 67614028 HZUPJQWRIHUFDC-UHFFFAOYSA-N 281.337 1.436 0 50 CDAA CCOC[C@@H]1CN(Cc2ccccc2C(=O)O)CCO1 530173577 WODQJIFQZZUBKP-ZDUSSCGKSA-N 279.336 1.622 0 50 CDAA c1cnc2nc(N3CCC[C@@]34CCNC4)ccc2n1 900452622 UZZLDRCQWSEKFK-AWEZNQCLSA-N 255.325 1.357 0 50 CDAA COc1cc2nc(Nc3ncccn3)[nH]c(=O)c2cc1OC 12390953 MMSOQHPNSZCQSV-UHFFFAOYSA-N 299.290 1.474 0 50 CDAA S=C(NCCN1CCOCC1)N1CCc2ccccc21 19856775 HPHWSDVGJHDUOR-UHFFFAOYSA-N 291.420 1.256 0 50 CDAA O=C(CSc1cnn[nH]1)N1Cc2ccccc2C1 2325788183 RJMYETAGCFEJHW-UHFFFAOYSA-N 260.322 1.439 0 50 CDAA C[C@H]1CC[C@H]2CN=C(NCc3ccns3)N2C1 2325801534 MIUCAMIIDLXAGQ-UWVGGRQHSA-N 250.371 1.703 0 50 CDAA CC1(C(=O)N2CC[C@@H](c3nc(=O)o[nH]3)C2)CC2(CC2)C1 2325810449 LJJKNBUMBKXREC-SECBINFHSA-N 277.324 1.259 0 50 CDAA OCc1cc(-c2nc(-c3ccc4nnc(O)n4c3)no2)co1 2325821988 UGVFRVAVEYXEBP-UHFFFAOYSA-N 299.246 1.237 0 50 CDAA O=C(Cn1nccn1)NCc1ccccc1-c1cccnc1 2325823174 ILLNEUMLXOXMOL-UHFFFAOYSA-N 293.330 1.657 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCc2onc(C(=O)O)c2C1 953095614 KRHCFWZVHSCXDC-SSDOTTSWSA-N 282.296 1.755 0 50 CDAA CN1C(=O)[C@@](O)(CC(=O)c2ccncc2)c2ccccc21 93905 XUIAUYKSLVYHGP-MRXNPFEDSA-N 282.299 1.519 0 50 CDAA O=C(O)CNC(=O)c1cccc(Br)c1 286476 SPMZGXLKQBBVKH-UHFFFAOYSA-N 258.071 1.264 0 50 CDAA CC(C)c1ccc(N(CC(N)=O)S(C)(=O)=O)cc1 379315 KEHVJBCYQXCNFF-UHFFFAOYSA-N 270.354 1.061 0 50 CDAA CN(c1ccccc1C(=O)NC(C)(C)C)S(C)(=O)=O 382659 YNIGIXLHOIHBSM-UHFFFAOYSA-N 284.381 1.611 0 50 CDAA Cc1ccc(-n2c(C)nnc2SCC(N)=O)cc1 421991 GZSBKTHMNUBSLF-UHFFFAOYSA-N 262.338 1.462 0 50 CDAA CCC(=O)NC(=N)Nc1nc(C)c2cc(OC)ccc2n1 2297006 DIEJTWJXSMXIPM-UHFFFAOYSA-N 287.323 1.820 0 50 CDAA Cc1cc(O[C@H](C)C(=O)Nn2cnnc2)ccc1Cl 4842015 SGHIVZLKMCDUSU-SECBINFHSA-N 280.715 1.778 0 50 CDAA CO[C@@H](CC(C)C)CN1CCN(C)[C@H](c2nc(C)no2)C1 419274306 XURINCBOYAIBJJ-KBPBESRZSA-N 296.415 1.728 0 50 CDAA Cn1nccc1CN1CCC(N2CCC[C@H](CO)C2)CC1 20599307 WYMBJWKSIRKKOH-AWEZNQCLSA-N 292.427 1.089 0 50 CDAA O=S(=O)(NC[C@H]1C[C@H]2C=C[C@H]1C2)C(F)(F)F 114567015 GTKQRIPEBBDJIN-BIIVOSGPSA-N 255.261 1.638 0 50 CDAA CNS(=O)(=O)c1cc(F)c(Br)cc1F 116396569 VMFQIVZWHOZRQS-UHFFFAOYSA-N 286.097 1.635 0 50 CDAA CCCc1ncncc1C(=O)NCc1cccnc1N(C)C 67605043 YEOOWOMMLSFUNC-UHFFFAOYSA-N 299.378 1.820 0 50 CDAA CN(c1ccc(C(=O)O)c(Cl)c1)S(C)(=O)=O 115044224 UHZPDRTWYBDKNL-UHFFFAOYSA-N 263.702 1.434 0 50 CDAA Cc1nc(N(C)C)nc(N(C)C[C@@H]2CCCO2)c1C 65394758 QKZGAERPTXFBBC-LBPRGKRZSA-N 264.373 1.775 0 50 CDAA CC[C@H](C)N(Cc1cccnc1)C(=O)c1ncn[nH]1 63835421 OGVDUPBPWMZKBZ-JTQLQIEISA-N 259.313 1.641 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@]2(CCNC2=O)C1 64034226 QCRYPCJMEOXBJL-ZDUSSCGKSA-N 254.330 1.524 0 50 CDAA CCNC(=O)CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 121093938 UBPCCKOCZSRGQK-SMDDNHRTSA-N 298.333 1.599 0 50 CDAA CN1CCN(C)C2(CCN(c3ncc(Cl)cn3)CC2)C1 67947210 BYMJSLZXJGQESU-UHFFFAOYSA-N 295.818 1.346 0 50 CDAA CC(C)c1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 22606467 QNDGNPRYNRVNEI-UHFFFAOYSA-N 284.381 1.640 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)O)C1 306145223 OUTDNQJTOMOMAU-LPEHRKFASA-N 271.313 1.343 0 50 CDAA CCOC(=O)[C@H](CC(=O)N(C)Cc1ccccn1)C(C)=O 328592742 HDGRHBMMCQLULT-CYBMUJFWSA-N 292.335 1.198 0 50 CDAA CO[C@@H]1CCN(C(=O)COc2ccc(C)c(C)c2)C1 170517463 YQLFNVBFPQUDTD-CQSZACIVSA-N 263.337 1.930 0 50 CDAA CNc1cc(C(=O)N(C)[C@H](C)c2ccon2)ccn1 65393785 QMSYUXSABVQUOG-SECBINFHSA-N 260.297 1.945 0 50 CDAA CC[C@@H](C)CN1C(=O)[C@H](Cc2cn(C(C)C)nn2)N=C1O 328609393 DCIKPTCZQKCUAR-PWSUYJOCSA-N 293.371 1.572 0 50 CDAA O=[S@@](Cc1ncc(C2CC2)o1)[C@H]1CCCOC1 329570760 UPQUWHRLIKOQEE-BTDLBPIBSA-N 255.339 1.980 0 50 CDAA CCOc1cc(C)c(S(=O)(=O)NC[C@@H](C)O)cc1C 30768811 FGZATSVKLZRCLV-LLVKDONJSA-N 287.381 1.361 0 50 CDAA NC(=O)c1ccnc(N2CCC(Oc3cccnc3)CC2)c1 32573313 NKGPFGZEXKIPBZ-UHFFFAOYSA-N 298.346 1.623 0 50 CDAA O=C(NC[C@H]1CCCO1)N1CCC[C@H](CCO)CC1 331422966 BLLFAEQIDONAMT-QWHCGFSZSA-N 270.373 1.360 0 50 CDAA Cc1ccccc1SCC(=O)NC[C@@H]1CCNC[C@H]1O 72120800 UCOCPHOFPJXVFD-QWHCGFSZSA-N 294.420 1.174 0 50 CDAA c1c[nH]c2ncc(CN3CCC[C@@H](N4CCCC4)C3)c-2n1 365627003 ZFTJHPDWXYOXBQ-CQSZACIVSA-N 285.395 1.970 0 50 CDAA CC(C)=CCC[C@]1(C)NC(=O)N(CC(=O)NC2CC2)C1=O 156032374 LPIDTUOAWQMYMI-HNNXBMFYSA-N 293.367 1.322 0 50 CDAA CCOCCN1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 34927152 VWKJBJKCLHPFLX-HTQZYQBOSA-N 255.236 1.218 0 50 CDAA Cc1c(C(=O)N2CCC[C@@H]2CC(=O)O)cnn1C(C)C 262999710 RBFRUERHWJJDPJ-LLVKDONJSA-N 279.340 1.852 0 50 CDAA Cc1cnc(C)c(NCCc2nncn2C(C)C)n1 32540614 UHROHMBLLHGPQX-UHFFFAOYSA-N 260.345 1.920 0 50 CDAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ncccc1F 284656373 VSEMYYIUIHXOMX-KYOSRNDESA-N 280.343 1.977 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NC1(CO)Cc2ccccc2C1 335735376 FGOSLRHYCOKHEU-DOMZBBRYSA-N 289.375 1.448 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc[nH]2)CC2(CCOCC2)O1 336046248 JHJDPTANWBLJMB-LLVKDONJSA-N 264.325 1.425 0 50 CDAA CC(C)(CNC(=O)Nc1ccsc1)N1CCOCC1 157236759 LWMJICJOCKRHRF-UHFFFAOYSA-N 283.397 1.980 0 50 CDAA Cc1nc2cc(CNC(=O)c3cccc(=O)[nH]3)ccc2n1C 216151306 PZTZPZCXMHASNC-UHFFFAOYSA-N 296.330 1.500 0 50 CDAA CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCO1 239760998 CJDVBKBIKBYHGV-CHWSQXEVSA-N 269.389 1.339 0 50 CDAA CO[C@H]1CCCC[C@H]1NC(=O)COCc1ccnn1C 241911237 UAUSPWDVCVMLOX-OLZOCXBDSA-N 281.356 1.011 0 50 CDAA OCC1(CN2CC[C@@]3(CCc4ccccc4O3)C2)COC1 377684869 YMNHHHNFDKXRNT-KRWDZBQOSA-N 289.375 1.465 0 50 CDAA COc1cc(C(=O)N2CC[C@@H](N)C2)ccc1OC(C)C 132581579 HKUPOIXAHZLHLV-GFCCVEGCSA-N 278.352 1.656 0 50 CDAA O=C(CO)N1CCC[C@@H](COc2ccc(F)cc2)C1 72409623 ISGBHUMVBQGYTC-LLVKDONJSA-N 267.300 1.435 0 50 CDAA CC[C@@H]1COCCN1C(=O)c1ccc2c(c1)ncn2C 132893207 ZDLMBXUVCRSPLM-GFCCVEGCSA-N 273.336 1.824 0 50 CDAA OC[C@H]1COCCN1Cc1ccc(F)c(Cl)c1 215565112 DKZJJEVHKUNTLV-JTQLQIEISA-N 259.708 1.672 0 50 CDAA CN1C(=O)C[C@@H](C(=O)NCCc2cnc[nH]2)c2ccccc21 215509381 YPISUOUVLWBPKY-CYBMUJFWSA-N 298.346 1.219 0 50 CDAA Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)cc(O)n1 180285296 ZSHVJXATQYMCPJ-GFCCVEGCSA-N 261.325 1.016 0 50 CDAA CCOC(=O)c1cnc2ccnn2c1C(F)(F)F 47476100 FFEIMXUSQRNSGZ-UHFFFAOYSA-N 259.187 1.925 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCC12CCCN1CCC2 222921159 UNSATGCQLGHBSW-CYBMUJFWSA-N 290.411 1.887 0 50 CDAA CC(=O)N1CCC(N[C@@H]2COCC[C@@H]2OCC2CC2)CC1 223007934 BIKUBYZDJVMHRC-CVEARBPZSA-N 296.411 1.171 0 50 CDAA Cc1cccn2cc(CNC(=O)c3cnco3)nc12 221172515 XVVXQRDLTSQUII-UHFFFAOYSA-N 256.265 1.561 0 50 CDAA CCO[C@H](C)C(=O)N1CCC(c2cc[nH]c(=N)n2)CC1 426685471 WTPLWPPFAKDEPE-SNVBAGLBSA-N 278.356 1.020 0 50 CDAA CC(=O)N[C@@H](C(=O)NCCCc1cccnc1)C(C)C 221217439 UHNWDNPGUFRFCU-CQSZACIVSA-N 277.368 1.291 0 50 CDAA CN(C)[C@H]1CCCCN(c2ncnc3[nH]cnc23)C1 82134971 VPGUSFDYTOJTEP-JTQLQIEISA-N 260.345 1.273 0 50 CDAA CNC[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 178990718 MVXVLMXEUVIULR-CYBMUJFWSA-N 284.363 1.554 0 50 CDAA CCCc1nc(C(=O)NCCc2ncnn2C)cs1 91724296 DPTYBGFKEJNEKY-UHFFFAOYSA-N 279.369 1.197 0 50 CDAA CN1CCC(O)(C(=O)N2CCC[C@H]2c2ccco2)CC1 97402296 ZRGMIZNSFYJQSI-LBPRGKRZSA-N 278.352 1.400 0 50 CDAA C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(C(=O)O)o2)O1 268903134 IPSBSQVEDDPEQI-ZJUUUORDSA-N 281.308 1.942 0 50 CDAA CCn1c(C)ccc(C(=O)NCc2snnc2C)c1=O 426399320 BNLPNBZHDGHXJT-UHFFFAOYSA-N 292.364 1.267 0 50 CDAA CCCn1nccc1C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 91434864 GUUODYWCQORQRN-NWDGAFQWSA-N 291.351 1.476 0 50 CDAA CCOCCNC(=O)[C@@H](c1ccccc1F)N(C)C 95390111 LPNSJMNRCUSZCQ-CYBMUJFWSA-N 268.332 1.581 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2SCCc3ccccc32)CCN1 237769825 AGPBSNXADRLMBO-FZMZJTMJSA-N 276.405 1.837 0 50 CDAA O=S1(=O)COCCN1Cc1c(F)cccc1F 92003946 SDEIGJXLNAEKNW-UHFFFAOYSA-N 263.265 1.084 0 50 CDAA CN(Cc1ccc2nonc2c1)C(=O)CCCc1cn[nH]c1 97360135 IIJDKAQMEXFGSJ-UHFFFAOYSA-N 299.334 1.927 0 50 CDAA Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)s1 91893853 QMVAMTAXUQODNR-MNOVXSKESA-N 250.367 1.866 0 50 CDAA Cc1ccc(NC(=O)CCN2CC(O)C2)cc1F 244691960 JLXFNZLJCXHKGH-UHFFFAOYSA-N 252.289 1.139 0 50 CDAA CC[C@@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1ccnn1C 244741958 NZQKXTWKSUVHSQ-GRYCIOLGSA-N 265.357 1.539 0 50 CDAA CCc1nc(CN2CCCC[C@@H]2CCOC)n[nH]1 243892981 ANASISQWYJQKGV-LLVKDONJSA-N 252.362 1.758 0 50 CDAA O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CC=CCC1 244900134 ZWQJAINGHKKVPM-JZRPKSSGSA-N 286.331 1.181 0 50 CDAA CC(=O)N1CC(Nc2ccc3c(c2)N(C)CCC3)=CC1=O 253471715 XSPCBKWVCRLWLT-UHFFFAOYSA-N 285.347 1.754 0 50 CDAA Cc1cc(O)c([C@@H](CC(=O)O)c2ccncc2)c(=O)n1C 524729747 HZHSNWOCICNBHB-NSHDSACASA-N 288.303 1.401 0 50 CDAA biogenic N[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 299738760 GBYRNDBEYGRGGH-CFVMTHIKSA-N 292.354 1.853 0 50 CDAA C[C@@H]1CCN(Cc2cnc(N(C)CC(=O)O)nc2)C1(C)C 534635486 OIZBXWAMECAXSE-LLVKDONJSA-N 292.383 1.618 0 50 CDAA CC[C@@H](NC(=O)c1nn(C)cc1Cl)c1ncnn1CC 534654310 LTBSSXYOCCQORM-SECBINFHSA-N 296.762 1.566 0 50 CDAA O=C(CC1(n2cccc2)CCOCC1)N1CCOCC1 263587182 DCPMGQXDTKKDOG-UHFFFAOYSA-N 278.352 1.243 0 50 CDAA O=C(N[C@H]1CNC[C@H]1c1ccccc1)C(F)(F)F 261361187 YFHIIRBVIAFCMB-UWVGGRQHSA-N 258.243 1.421 0 50 CDAA CN1CCC(CCNS(=O)(=O)CC2CCCC2)CC1 360226552 DBRJYUMVEOIELP-UHFFFAOYSA-N 288.457 1.828 0 50 CDAA CO[C@@H]1CCN(C(=O)CCc2c(C)nn(C)c2C)C1 360971560 UQOIPUWOQIVKGP-GFCCVEGCSA-N 265.357 1.217 0 50 CDAA O=C(C[C@@H]1CCOC1)NCc1ccccc1-n1ccnc1 361503931 KSLXHIBUDJGSBX-ZDUSSCGKSA-N 285.347 1.915 0 50 CDAA Oc1cccc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)c1 299772983 BIMAUWSKPMPVMK-LSDHHAIUSA-N 286.335 1.330 0 50 CDAA CC(C)C(=O)NCC1(C(F)(F)F)CCNCC1 725264771 UVYWNGQTECTCTE-UHFFFAOYSA-N 252.280 1.691 0 50 CDAA COCCn1ccnc1CN1CCc2nc(C)[nH]c2C1 824466025 BWZVBIUGHJVSKT-UHFFFAOYSA-N 275.356 1.119 0 50 CDAA Cc1[nH]ccc1-c1nc(CC(N)=O)nn1CC(F)(F)F 826842492 WWDZAGDCDFNIHN-UHFFFAOYSA-N 287.245 1.172 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)Cn1nc(C)cc1C 584887750 BNMMBZDFHTVKTM-GFCCVEGCSA-N 290.371 1.379 0 50 CDAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)CCCc1cn[nH]c1)C2 823806711 IEIXKRBUAKMGLQ-GJZGRUSLSA-N 290.411 1.675 0 50 CDAA C[C@@H](CCCC(C)(C)O)NC(=O)c1nccn1C 821820760 NJNDAYXQEFAWIQ-JTQLQIEISA-N 253.346 1.480 0 50 CDAA Cc1cccc(-n2ncnc2[C@@H](C)N2CCN(C)CC2)n1 823789457 SCUFLFMQYXTAGQ-CYBMUJFWSA-N 286.383 1.279 0 50 CDAA CS[C@H](C)C(=O)N1CCC(O)(CN2CCCC2)CC1 824870952 HJZBETODBTVYRN-GFCCVEGCSA-N 286.441 1.187 0 50 CDAA C[C@H](Cn1cnc2cnccc2c1=O)Oc1cccnc1 584888136 DNMFGYNHQAZJTH-LLVKDONJSA-N 282.303 1.654 0 50 CDAA COCc1nc(C23CC4CC(CC(C4)C2)C3)n(CCO)n1 670471138 TWBBWYKWNKETLN-UHFFFAOYSA-N 291.395 1.885 0 50 CDAA CN(Cc1ccc(OCC(N)=O)cc1)C[C@@H]1CCOC1 670437504 ORRDTFWGELZUCI-ZDUSSCGKSA-N 278.352 1.019 0 50 CDAA Cc1ccc(OC2CN([C@@H](C)CS(C)(=O)=O)C2)cc1 670447596 NTILVMWVLUHCPX-LBPRGKRZSA-N 283.393 1.491 0 50 CDAA CCc1nc(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)co1 1553494796 WGFOBPXIDWOWBM-LLVKDONJSA-N 278.356 1.260 0 50 CDAA O=S(=O)(N[C@@H]1CC[C@H]2C[C@H]21)c1cnc2sccn12 1875290435 FNGCUZMOVOXDAK-DJLDLDEBSA-N 283.378 1.473 0 50 CDAA Cc1noc(C(C)(C)CNC(=O)C2CCCC2)n1 1875319197 SIDOIUCUFIUPTQ-UHFFFAOYSA-N 251.330 1.962 0 50 CDAA CS(=O)(=O)c1cccc(OC[C@@H]2C[N@@]2CC2CC2)c1 1875381249 ONAINKDHPTYJCH-SWLSCSKDSA-N 281.377 1.563 0 50 CDAA CN(C)C/C=C/C(=O)NC1CC2(CCC(CO)CC2)C1 1875377065 RDIZAOHWKJDNCH-ONEGZZNKSA-N 280.412 1.552 0 50 CDAA C[C@H]1CS(=O)(=O)C[C@H]1NCc1cc2ccccc2[nH]1 1875391308 NNMAZESINJAMQF-IINYFYTJSA-N 278.377 1.691 0 50 CDAA Cn1cc([C@H]2N(C(=O)C=C3CCNCC3)CC2(C)C)cn1 952894688 PMAFHFYFHOMXHR-OAHLLOKOSA-N 288.395 1.639 0 50 CDAA O=C(c1cnsn1)N1CCc2ccccc2[C@H]1CO 185635976 YGBJSMFKNRYVFT-GFCCVEGCSA-N 275.333 1.270 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)Cc1cnc2c(C)cccn12 952983282 JQONJLKMERVXAR-UHFFFAOYSA-N 297.362 1.875 0 50 CDAA c1ccc(N2CC[C@H](NCCc3cnc[nH]3)C2)cc1 952969006 AHXNHDOZYSAQCN-AWEZNQCLSA-N 256.353 1.821 0 50 CDAA CC[C@@H](CO)N(Cc1ccccn1)C(=O)c1cc[nH]c1 952975721 KZKHQGZQGIJATR-AWEZNQCLSA-N 273.336 1.823 0 50 CDAA CC(F)(F)C(C)(C)C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 886995196 HPTOVVPLYAIKQP-NXEZZACHSA-N 291.338 1.714 0 50 CDAA Cc1ccnc(NCCN2Cc3ccccc3OCC2=O)n1 895449238 OTAXSVCCZNWBMN-UHFFFAOYSA-N 298.346 1.618 0 50 CDAA C=CC(=O)N[C@H]1COc2ccc(Cl)cc2C1=O 1775999979 LDYMMJAOQHDZIG-VIFPVBQESA-N 251.669 1.586 0 50 CDAA Cc1cccc(N2N=C(C3CCOCC3)CC2=O)n1 899352326 FVNBXSLSDCDKGG-UHFFFAOYSA-N 259.309 1.909 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CC2(CCOCC2)C[C@H]1C 585089904 IFKJSYSOAFTFEL-LLVKDONJSA-N 291.395 1.987 0 50 CDAA C[C@@H]1CC(NC(=O)c2ccc(=O)n(CCF)n2)C[C@@H](C)C1 585120706 CUHSJGPJHOHQQN-QWRGUYRKSA-N 295.358 1.767 0 50 CDAA CC1=C(c2nc(C(C)(C)C)no2)[C@H](C)n2nnnc2N1C 585133466 IUSXYLMLMYQWCF-QMMMGPOBSA-N 289.343 1.796 0 50 CDAA Cn1c(=O)oc2c(C(=O)NC[C@H]3CCCOC3)cccc21 170590909 DTUYWHDHQPKCJM-SNVBAGLBSA-N 290.319 1.288 0 50 CDAA COC[C@@H](Nc1nc(-c2ccccc2)ns1)C(N)=O 170598693 SWGKWRVETFJGOL-SECBINFHSA-N 278.337 1.117 0 50 CDAA C[C@@H]1CN(CC[S@@](=O)c2ccccc2)C[C@@H](C)O1 170617585 DOIFQUFSQPZMCU-SNUQEOBHSA-N 267.394 1.903 0 50 CDAA CCCCC[C@@H](C)NS(=O)(=O)[C@@H](C)C(=O)N(C)C 170613311 PAWYPFONHXJSKD-MNOVXSKESA-N 278.418 1.351 0 50 CDAA Cc1ncc(CN2CCN([C@@H](C(=O)O)C3CC3)CC2)s1 635015948 IXTWCGLBMNBUDR-CYBMUJFWSA-N 295.408 1.432 0 50 CDAA NC1(CNC(=O)N2CCC[C@H](CCO)CC2)CCC1 643438766 HUIJLDQOMDPNJT-LBPRGKRZSA-N 269.389 1.062 0 50 CDAA COC[C@@H]1CCCN(C(=O)c2ccc(C(=O)O)s2)C1 224730057 NAEFRTSGYBIBIR-SECBINFHSA-N 283.349 1.945 0 50 CDAA Cc1noc(C)c1CN1CCN(c2ncc[nH]2)CC1 562371988 SGWMCNSGNOFVIL-UHFFFAOYSA-N 261.329 1.337 0 50 CDAA O=C(NC[C@H]1CCNCC1(F)F)c1c[nH]nc1C1CC1 566211213 GVVXMXWUGXOMBV-SECBINFHSA-N 284.310 1.262 0 50 CDAA CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(OC)ccn1 660608415 FSAJDEFCZKDNIF-MRXNPFEDSA-N 297.358 1.768 0 50 CDAA CCC(CC)(CNC(=O)[C@H]1CCCO[C@@H]1C)C(=O)O 668280269 RXLWTEORUSLSHF-MNOVXSKESA-N 271.357 1.809 0 50 CDAA CCc1nc(CN(CCO)Cc2sccc2C)n[nH]1 1506400007 LGRGBJYXCYTGJQ-UHFFFAOYSA-N 280.397 1.732 0 50 CDAA CC(C)=CCN1CCCN(C(=O)CCn2cnnc2)CC1 1529114120 LLCBYVZRRUJDSL-UHFFFAOYSA-N 291.399 1.169 0 50 CDAA CCN(C1CN(C)C1)S(=O)(=O)Cc1ccccc1 1252861830 KWFCSBGYPXOVTO-UHFFFAOYSA-N 268.382 1.152 0 50 CDAA COC(=O)C1(CO)CCN(C(=O)OC(C)(C)C)CC1 148277744 UQZQXEFGHRYLNJ-UHFFFAOYSA-N 273.329 1.169 0 50 CDAA in-vitro CCN(C)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 163020925 ABCDCOMUZSEJBZ-CMPLNLGQSA-N 258.387 1.702 0 50 CDAA COCCO[C@@H](C)c1nnc2n1CC(C)(C)CC2 1616037638 DYYDVABNHJFQSD-JTQLQIEISA-N 253.346 1.975 0 50 CDAA C[C@H]1CCCC[C@@H]1CC(=O)N1CC(CO)(CO)C1 1616037362 IRYLJLSFJBSXHE-NWDGAFQWSA-N 255.358 1.016 0 50 CDAA CN(C)C[C@]12CNC[C@H]1CN(C(=O)c1ccc(Cl)o1)C2 1772711313 HKBOMEUKTKMEMC-HZMBPMFUSA-N 297.786 1.156 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1 5284559 SHKMHIQWABTESU-UHFFFAOYSA-N 270.354 1.579 0 50 CDAA COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccco1 13124544 JROSUIUQHLUASF-JTQLQIEISA-N 260.253 1.333 0 50 CDAA Cn1cc(CN2CC[C@@H](N3CCCCCC3)[C@H](O)C2)cn1 14965183 BKJRAQIOJIBUPN-HZPDHXFCSA-N 292.427 1.231 0 50 CDAA CC(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 16650771 ILGUBJDAIODFBU-UHFFFAOYSA-N 288.344 1.214 0 50 CDAA O=C([C@H]1CC[C@@H](O)CC1)N1CCc2nocc2C1 1857702789 PNKCHRYHMRTNBD-JGZJWPJOSA-N 250.298 1.110 0 50 CDAA CSc1nc(N)cc(N(C)C[C@H]2CCCN2C)n1 156843174 ICAUVDLFUMYZOA-SECBINFHSA-N 267.402 1.311 0 50 CDAA Cc1ccc2ncnc(N3C[C@H]4[C@H](O)C[C@H]4C3)c2n1 1857708018 GEZHORLVRRVIPN-HOSYDEDBSA-N 256.309 1.150 0 50 CDAA O[C@H]1CNCC[C@@H]1n1ccnc1-c1ccc(F)c(F)c1 1857732346 MOMHDSCGYJISPF-STQMWFEESA-N 279.290 1.724 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3C2)C[C@H]1N 1857733344 GKANYMZUPWRATL-NUEKZKHPSA-N 288.391 1.714 0 50 CDAA Cn1nccc1C(=O)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653330711 IXTSDVOGGLQVLY-VXGBXAGGSA-N 285.303 1.463 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(N)=O 307648017 DJGMHEFBXRYKPW-QEYWKRMJSA-N 252.314 1.187 0 50 CDAA C[C@H](c1cccnc1)N1CCO[C@@H](Cn2cccn2)C1 229504026 JWYOCFNTQIJPCF-UKRRQHHQSA-N 272.352 1.740 0 50 CDAA CC(C)n1ncnc1CN1CCC[C@H]1c1ccc(O)nn1 528785295 BWKCMMPYKTYECR-LBPRGKRZSA-N 288.355 1.692 0 50 CDAA CC(C)N1CCCC[C@@H]1CNC(=O)N1CC[C@@H]([C@H](C)O)C1 252486407 JVMIJQFUEURCEO-RRFJBIMHSA-N 297.443 1.662 0 50 CDAA O=C(C[C@H]1CCCN1)Nc1cccc2c1OCCO2 152421640 YURHPFNQLXQYRG-SNVBAGLBSA-N 262.309 1.538 0 50 CDAA Nc1ccc2c(c1)CCC[C@H]2NC(=O)CN1CCCC1=O 159305661 UZBSNOPMJNKYMX-CQSZACIVSA-N 287.363 1.385 0 50 CDAA O=C1CC[C@H](c2noc(-c3ccnn3C3CCC3)n2)CN1 901965737 YJENKKIGFYFSHQ-VIFPVBQESA-N 287.323 1.652 0 50 CDAA Cc1ccc(OCCN2CC[C@H](O)[C@@H](C(=O)O)C2)c(C)c1 1704302505 NKUVPKMFGIPCJP-KBPBESRZSA-N 293.363 1.450 0 50 CDAA CN(C(=O)CCCc1nn[nH]n1)[C@@H]1CCc2ccccc2C1 820003528 VCYDBGMHCHKXJW-CQSZACIVSA-N 299.378 1.538 0 50 CDAA O=C(c1ccncc1F)N1CCC[C@H]1C1(O)CC1 1772804524 QFJTULPYDOXRTB-NSHDSACASA-N 250.273 1.350 0 50 CDAA O=C(Nc1nc2ccccc2[nH]1)[C@H]1NCC12CCOCC2 852773158 UBPAJMRJIOCYRK-GFCCVEGCSA-N 286.335 1.270 0 50 CDAA NCC(F)(F)C12CC(I)(C1)C2 1857787475 VYMCKTFHZUJWIY-UHFFFAOYSA-N 273.064 1.938 0 50 CDAA CCS(=O)(=O)c1ccccc1N1C[C@@H](C(=O)O)[C@@H](C)C1 111253670 SXGRJCHSBUTSQL-WDEREUQCSA-N 297.376 1.637 0 50 CDAA COC(=O)[C@@H](NC(=O)[C@H](C)Oc1ccccc1)C(C)C 2863032 MSZVLAXBPNAMJD-AAEUAGOBSA-N 279.336 1.768 0 50 CDAA COC[C@@H](C)NC(=O)CN1CCc2sccc2[C@H]1C 252516454 SPNSMGUGDDBWNB-GHMZBOCLSA-N 282.409 1.818 0 50 CDAA O=C(O)c1cccc(C(=O)N2CC[C@@]3(CCOC3)C2)c1 238206632 MZJMGJXGEGXURC-OAHLLOKOSA-N 275.304 1.637 0 50 CDAA C[C@@H]1CC[C@H](C(=O)N[C@@H](CC(=O)O)c2ccccc2)O1 155469331 AQGUKPOQXXNGBF-KGYLQXTDSA-N 277.320 1.886 0 50 CDAA C[C@H](O)c1cn(Cc2ccc(-n3cccn3)cc2)nn1 163407558 WZQAILDHAUXNQJ-NSHDSACASA-N 269.308 1.565 0 50 CDAA O=C(NCCCOC1CCCCC1)[C@@H]1CCCNC1 40829770 FRCHQWMTPAZAKN-CYBMUJFWSA-N 268.401 1.842 0 50 CDAA O=C(Nc1ncnc2nc[nH]c12)c1ccc(F)cc1 196856618 FGLBQPVDAINDIL-UHFFFAOYSA-N 257.228 1.744 0 50 CDAA Cc1c(N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cnn1C 408069696 FSGZVSDHSNVJGB-WDEREUQCSA-N 271.386 1.496 0 50 CDAA NC(=O)c1cnc(N2CC[C@@]3(CCCNC3)C2)c(Cl)c1 516635845 WUWFNSWBPGIHRS-CQSZACIVSA-N 294.786 1.414 0 50 CDAA O[C@@H]1CC[C@@H]2CN(Cc3ccc4c[nH]nc4c3)C[C@H]21 329639065 YYZJWSDKPCPQPW-UMVBOHGHSA-N 257.337 1.766 0 50 CDAA NC[C@@H]1CCCN(Cc2ccc(CC(=O)O)cc2)C1 534588948 OIXOHUBOVBKYEC-AWEZNQCLSA-N 262.353 1.484 0 50 CDAA CN(Cc1ccc(S(C)(=O)=O)cc1)CC1(CO)CCC1 670471681 OYGMJVYXLUYEAW-UHFFFAOYSA-N 297.420 1.685 0 50 CDAA CCCC[C@H](Nc1cc(C(=O)OC)ncn1)C(=O)O 706624965 OLXQYRFIIHMWFW-QMMMGPOBSA-N 267.285 1.319 0 50 CDAA CCCCSc1nnc2n(N)c(=O)c3ccccc3n12 2841280 PHFHSJYRYIZVLC-UHFFFAOYSA-N 289.364 1.650 0 50 CDAA COc1ccccc1NC(=O)c1cccc(-n2cnnn2)c1 418362 TWIRGYAXWDJIDH-UHFFFAOYSA-N 295.302 1.923 0 50 CDAA N=c1[nH]nc(SCC(=O)N2Cc3ccccc3C2)s1 1857800360 NSROJOAPLJNGCE-UHFFFAOYSA-N 292.389 1.585 0 50 CDAA CC(C)Oc1nccn2c(-c3ccnn3C)cnc12 2356155656 LSEJRIXLZMKSCY-UHFFFAOYSA-N 257.297 1.917 0 50 CDAA Cc1cc(CN[C@H]2CCCN(c3ncccn3)C2)n(C)n1 417865117 CAXIDUJINDWWLB-ZDUSSCGKSA-N 286.383 1.277 0 50 CDAA CC(=O)N1CCN([C@H](C)Cc2ccccc2F)CC1 23280558 GUYOQIIHKKMFIT-GFCCVEGCSA-N 264.344 1.921 0 50 CDAA CC(C)(C)OC(=O)N1CC(N2CCC(CN)CC2)C1 309968233 MDIJGNVUOOBYIE-UHFFFAOYSA-N 269.389 1.276 0 50 CDAA CC(C)N1CCC(CN2CCN3CCN(C)C[C@H]3C2)CC1 106251106 ZUWMMWASXDKCJA-KRWDZBQOSA-N 294.487 1.038 0 50 CDAA Cc1ccsc1CCNC(=O)CN1CCOC1=O 20783801 QWQGNBDENRCYSZ-UHFFFAOYSA-N 268.338 1.167 0 50 CDAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)O)nn1C 136526351 SMMUXIQRSATXIC-LLVKDONJSA-N 279.340 1.623 0 50 CDAA CCOC(=O)c1nn(Cc2ccccn2)c2c1CNCC2 65396988 AWIGVLNVKNSQBA-UHFFFAOYSA-N 286.335 1.149 0 50 CDAA CC(C)n1nccc1C(=O)N(C)C[C@H]1CCOC1 126464333 UGGVUGNDEDARIC-LLVKDONJSA-N 251.330 1.573 0 50 CDAA CN(CCCc1nccn1C)C(=O)[C@H]1CCC[C@@H](O)C1 223002177 VZJAUICDGVYAIJ-QWHCGFSZSA-N 279.384 1.362 0 50 CDAA 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Cc1[nH]c(=S)[nH]c(=O)c1CC(=O)OCC(C)C 13464829 LDRMTBLLRYAQNA-UHFFFAOYSA-N 256.327 1.483 0 50 CDAA Nc1cncc(N2CCC[C@H](OCc3ccccn3)C2)n1 1857670915 HAZLZKIKPRXPPC-ZDUSSCGKSA-N 285.351 1.639 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)CCc1ccc(O)nn1)C2 1857679602 NYXYZWUZCHXHOA-UHFFFAOYSA-N 284.319 1.361 0 50 CDAA CN(C)c1ccc(CN2CCC[C@@H](C(=O)O)C2)cn1 212182002 MECBYLVRLPYUKI-GFCCVEGCSA-N 263.341 1.444 0 50 CDAA O=C(Cc1ccon1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 408262738 YVDOSLFVMIJZHQ-MJBXVCDLSA-N 278.352 1.759 0 50 CDAA CNC(=O)c1cccnc1N1CCC([C@@H]2CCNC2)CC1 420254763 HAEOMYVSLHEKIK-CYBMUJFWSA-N 288.395 1.267 0 50 CDAA CC(C)c1ccc(C(=O)N2CCCNC(=O)[C@H]2C)c(O)c1 335979169 FYESMUZSFVOEPZ-LLVKDONJSA-N 290.363 1.866 0 50 CDAA O=S(=O)(c1ccc2ccccc2c1F)N1CC(CO)C1 336261497 FTFOOQIVKKJODH-UHFFFAOYSA-N 295.335 1.592 0 50 CDAA CC(C)(C)[C@@H](O)CNc1nccc(-c2cnccn2)n1 450328097 GJZIGLKBVNWYOL-LBPRGKRZSA-N 273.340 1.753 0 50 CDAA COC(=O)N1CCOC[C@H]1c1ncnn1-c1ccccc1 585082182 WYJYGUYWULWURY-LBPRGKRZSA-N 288.307 1.407 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@H]1C[C@@H](O)C1 585121871 DGVHPQIPQMTYGB-BETUJISGSA-N 278.352 1.648 0 50 CDAA CN1CC2(CN(C(=O)c3cc4ccccc4n3C)C2)OC1=O 497091217 RUDXPVUFJVAODK-UHFFFAOYSA-N 299.330 1.455 0 50 CDAA CC(C)N1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1 1565529483 AWPVKKGSGDEXPF-OLZOCXBDSA-N 282.384 1.430 0 50 CDAA C[C@@H](CC(=O)Nc1c[nH]nc1C(=O)O)C(F)(F)F 902232325 CUFALOFZTXLYFO-BYPYZUCNSA-N 265.191 1.635 0 50 CDAA CC1(N2CCC2)CCC(NC[C@H](O)C2CC2)CC1 905601916 SPDDXHMBZWSZAX-SLTAFYQDSA-N 252.402 1.754 0 50 CDAA CC(C)c1ccoc1C(=O)NCCn1cnc(C(=O)O)c1 909909121 HQISBLSGJTZDTQ-UHFFFAOYSA-N 291.307 1.728 0 50 CDAA COc1ccc(-c2noc([C@@H]3CCCNC3=O)n2)cc1 1248275878 LZUMIOLYKKFTLT-LLVKDONJSA-N 273.292 1.739 0 50 CDAA Nc1ccc(C(=O)NC2(CC(=O)O)CCCCC2)cn1 220385445 DKSNRFLRWRMRQO-UHFFFAOYSA-N 277.324 1.571 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)cc1 238086174 LSHAXIBFMTVQGI-QWHCGFSZSA-N 277.320 1.666 0 50 CDAA O=C(O)C1(C(=O)Nc2ccc(-n3nccn3)cc2)CC1 154828241 FEVZRYGQLZCOGP-UHFFFAOYSA-N 272.264 1.071 0 50 CDAA CN(C)C(=O)c1ccc(NCCC2(O)CCCC2)nc1 32561035 NJQRFSUKKZBOMI-UHFFFAOYSA-N 277.368 1.891 0 50 CDAA CCc1ccnc(C(=O)N[C@@H](C(=O)O)C(C)C)c1 263421059 LECQYASSTOLIDY-LLVKDONJSA-N 250.298 1.483 0 50 CDAA C[C@H]1CC[C@H](C(=O)O)CN1S(=O)(=O)CC1CCC1 263528822 VLHDPSIQJYZZEM-ONGXEEELSA-N 275.370 1.301 0 50 CDAA CC(C)n1ccc(C(=O)N2CCCC[C@H]2[C@H](C)N)n1 269188268 NYVYOWMQKYUZQK-AAEUAGOBSA-N 264.373 1.806 0 50 CDAA CCOc1cc(NCCc2nnc(C)s2)ncn1 291152216 PBUKBRBHSGOMQU-UHFFFAOYSA-N 265.342 1.690 0 50 CDAA CCNc1nc(C(=O)N2CC(OCC)C2)cs1 295483803 CGOYNACCOJYHAT-UHFFFAOYSA-N 255.343 1.436 0 50 CDAA Cc1cc(CN(CCO)Cc2cccs2)n(C)n1 65385843 YXFQPZWTBKAAGO-UHFFFAOYSA-N 265.382 1.785 0 50 CDAA O=C(NC1CC1)[C@@H]1CCCN1CCC1(O)CCC1 662888358 FVFPOWXOEFUEMU-LBPRGKRZSA-N 252.358 1.035 0 50 CDAA COCc1cccc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c1 331315280 CUSBJDFKNKVNPQ-FZMZJTMJSA-N 279.336 1.055 0 50 CDAA CCc1cnc(N)nc1N1CCC[C@@](O)(CC)C1 95372129 NMOJZCGIQWUJJA-ZDUSSCGKSA-N 250.346 1.363 0 50 CDAA Cc1ccc2c(c1)CN(S(=O)(=O)[C@H]1CCCNC1)CC2 923656924 LUVLDSIJAARAPY-HNNXBMFYSA-N 294.420 1.435 0 50 CDAA CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(C)O 13572800 SEBOOWFVVOJZRZ-WDMOLILDSA-N 294.376 1.093 0 50 CDAA C[C@H](Cc1ccc(O)cc1)N[C@H](C)C1(O)CCOCC1 2325773679 NSWNGKYXUCPQHM-CHWSQXEVSA-N 279.380 1.843 0 50 CDAA Cc1cnc(N2C[C@H](C(=O)O)[C@@H](C3CCOCC3)C2)nc1 2325787295 QGPARUXGCVSIFP-OLZOCXBDSA-N 291.351 1.349 0 50 CDAA N[C@H]1CCN(Cc2ccc(-c3cc(C4CC4)[nH]n3)nn2)C1 2325796802 OMOBQZACRPFUSF-NSHDSACASA-N 284.367 1.277 0 50 CDAA CO[C@H]1C[C@H]2CN=C(N[C@@H](C)c3ccns3)N2C1 2325798815 BVYICDQGNKVFCQ-GUBZILKMSA-N 266.370 1.253 0 50 CDAA OCc1nccn1Cc1nc(-c2ccc(F)c(F)c2)no1 2325879972 NXYDDNAOZUSFNL-UHFFFAOYSA-N 292.245 1.752 0 50 CDAA Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1 145313 UVXVYQURGLFLAJ-UHFFFAOYSA-N 262.334 1.869 0 50 CDAA O=S(=O)(NCc1ccccc1)c1cccc2nonc12 212884 RKVXJINENWXSTI-UHFFFAOYSA-N 289.316 1.701 0 50 CDAA COc1ccc(S(=O)(=O)Nc2cccnc2)cc1 255536 YXRDIJMPRVTEQX-UHFFFAOYSA-N 264.306 1.891 0 50 CDAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCOCC1 476129 DMZZLGGYWFHHDE-SNVBAGLBSA-N 269.728 1.966 0 50 CDAA Cc1cc(OCC(=O)n2cnnc2N)ccc1Cl 523636 BZNYODRNXJBPRR-UHFFFAOYSA-N 266.688 1.541 0 50 CDAA O=C1CC(=O)N(c2ccc(Br)cc2)C(=O)N1 2819835 XTOPUPLVLBJMJL-UHFFFAOYSA-N 283.081 1.422 0 50 CDAA CC(=O)Nc1nc(NC(C)=O)n(-c2ccccc2)n1 6781135 DCQVULXMOINQPO-UHFFFAOYSA-N 259.269 1.184 0 50 CDAA CC1(C)C[C@@H](NC(=O)N2CCC[C@@]2(C)CO)C(C)(C)O1 134204875 JAGYXXUTVDAKMX-ABAIWWIYSA-N 284.400 1.889 0 50 CDAA CC[C@@H](C)CS(=O)(=O)NCc1ccc2cncn2c1 416542599 AOPGBPCNRZRDHW-LLVKDONJSA-N 281.381 1.800 0 50 CDAA N=C1NC(=O)[C@@H](CC(=O)Nc2ccccc2F)S1 8970597 WVHDBWSZYRRQEN-MRVPVSSYSA-N 267.285 1.321 0 50 CDAA O=C(Nc1nncs1)NC1Cc2ccccc2C1 55182560 HKPGMWBIQXMFSX-UHFFFAOYSA-N 260.322 1.827 0 50 CDAA CCn1cncc1CNC(=O)CSc1nnc(C)s1 55393007 FWPSAOVFUQIIHP-UHFFFAOYSA-N 297.409 1.471 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1cscn1 115136977 BTAYOUIWQBHFBL-ZXFLCMHBSA-N 252.295 1.221 0 50 CDAA Cc1nc(S(=O)(=O)N(C)[C@@H](C)c2ccncc2)cn1C 170734166 WGBYLRNNFBKCSN-JTQLQIEISA-N 294.380 1.505 0 50 CDAA COC(=O)C(=C/C=C/N(C(C)C)C(C)C)C(=O)OC 55450667 VEVHASBECVJALD-VQHVLOKHSA-N 269.341 1.891 0 50 CDAA C[C@@H](CCc1ccccc1)NCCSc1nnnn1C 65528382 RBOFTIHGTFBXMA-LBPRGKRZSA-N 291.424 1.913 0 50 CDAA CC1=C(C(=O)NCCOc2ccccc2)[C@H](C)NC(=O)N1 67973582 JKWXGWGNMMJUEK-JTQLQIEISA-N 289.335 1.157 0 50 CDAA CN(Cc1nc(-c2cccnc2)no1)C[C@H]1CCOC1 178345467 GQXOGMWYVXLSBW-LLVKDONJSA-N 274.324 1.600 0 50 CDAA COC[C@@H]1CCCN(C(=O)NCc2cccnc2)C1 112991335 IGHUQKMSYKPALP-CYBMUJFWSA-N 263.341 1.650 0 50 CDAA Nc1ccc(CCO)c(-c2cccc([C@@H](N)CO)c2)c1 863726052 HKTKTTVGHMDZOA-INIZCTEOSA-N 272.348 1.463 0 50 CDAA O=C(CCn1nnc2ccccc21)NCc1nccs1 20780602 MIWRFKFJARQMGM-UHFFFAOYSA-N 287.348 1.594 0 50 CDAA C[C@H]1CCCCN1CCN(C)c1cc(N(C)C)ncn1 65530276 DDIFJBQSJQNAAA-ZDUSSCGKSA-N 277.416 1.853 0 50 CDAA FC(F)(F)CN1CCN(C[C@@H]2CCCNC2)CC1 61941405 QWEKGBRGCQTIPA-LLVKDONJSA-N 265.323 1.166 0 50 CDAA COc1nccnc1N(C)C[C@H]1Cc2ccccc2O1 32581005 XOALBJZTURNQOK-GFCCVEGCSA-N 271.320 1.925 0 50 CDAA CCOCCC(=O)Nc1ccc(C(=O)NC)cc1C 76792594 FHHLAHQZDNKJQH-UHFFFAOYSA-N 264.325 1.720 0 50 CDAA CC1(C)COC([C@@H]2[C@H]3C[C@@H]4OC(=O)C[C@@H]4[C@H]32)OC1 71772783 IQRKVTJIAGAUGL-WPCZNGEBSA-N 252.310 1.583 0 50 CDAA COCC1(C(=O)Nc2ccc3[nH]ncc3c2)CCNCC1 234610927 OLYKGAMCBMCRIN-UHFFFAOYSA-N 288.351 1.518 0 50 CDAA OC[C@H]1CCCC[C@H]1NCc1ncn(-c2ccccc2)n1 125216454 HVTOTADMQBJQMU-UKRRQHHQSA-N 286.379 1.908 0 50 CDAA CCOC(=O)c1ccc2nc3c(c(=O)n2c1)CSC3 39348292 JIMXZNGYKHBIND-UHFFFAOYSA-N 276.317 1.618 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@@H](C)N1 153675670 FFVDZFSBPSKDOB-UMVBOHGHSA-N 275.396 1.498 0 50 CDAA O=C(NC[C@H]1CCCCC1(F)F)N[C@H]1C[C@@H](O)C1 331876983 NDJLYIXIJVNUDS-BBBLOLIVSA-N 262.300 1.634 0 50 CDAA Fc1ccccc1N1CC[C@H](NCc2cncnc2)C1 366564669 GYFIQHUJPHASCI-ZDUSSCGKSA-N 272.327 1.984 0 50 CDAA O=C(NC[C@@H]1CCCC[C@@H]1O)c1cccnc1S 155797633 LJNGCVXUBJMLFX-ONGXEEELSA-N 266.366 1.651 0 50 CDAA N=c1sc2c(n1CCCS(=O)(=O)O)CCCC2 334157838 BPWUEEQTXGRAKT-UHFFFAOYSA-N 276.383 1.186 0 50 CDAA Cc1cnc(NC(=O)N2CC[S@@](=O)CC[C@@H]2C)s1 336197979 PGSTVVZIKCWHNU-ASCAZGACSA-N 287.410 1.826 0 50 CDAA NC(=O)c1csc(N2CC(c3ccncc3)C2)n1 71759102 FXPDDSYOSIPZKG-UHFFFAOYSA-N 260.322 1.241 0 50 CDAA CN1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 35287466 GGKCCVBOTPESQD-GFCCVEGCSA-N 267.760 1.114 0 50 CDAA Cn1c(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)O)cccc1=O 262710116 CJIZHWGYTKWXKU-BONVTDFDSA-N 292.335 1.149 0 50 CDAA Fc1cccc(CN2CCN(C[C@H]3CCNC3)CC2)c1 72147149 CZXNNQRFPTYYRB-HNNXBMFYSA-N 277.387 1.553 0 50 CDAA CCOc1ccc2c(c1)[n+](=O)c(C(C)=O)c(C)n2O 136208076 LCIFGANWEIGIBU-UHFFFAOYSA-N 263.273 1.703 0 50 CDAA CN(C)CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 223174258 POHWOIZIHURGRI-HUUCEWRRSA-N 292.379 1.039 0 50 CDAA COc1ccc2[nH]c(C(=O)N[C@H](C)c3nncn3C)cc2c1 222277472 JRMQYBZIFNRUCV-SECBINFHSA-N 299.334 1.796 0 50 CDAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](CN)C2)c1 178580851 DPRVYRVTQLZBDW-UGFHNGPFSA-N 274.364 1.606 0 50 CDAA CCOc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)o1 426386952 TVPSDMDUBPRPPI-SNVBAGLBSA-N 255.270 1.517 0 50 CDAA Cc1nc(O)c(C(=O)NC2(C(=O)O)CCC2)c(C)c1C 426360520 ZUOROLQWPATCQM-UHFFFAOYSA-N 278.308 1.450 0 50 CDAA CCc1nc(CC)n(C[C@@H]2CCCS(=O)(=O)C2)n1 328855079 WUCLPGRRPXONBH-JTQLQIEISA-N 271.386 1.228 0 50 CDAA O=C1c2ccccc2N[C@@H]2c3ccccc3S(=O)(=O)N12 221275368 AQUBCEYHEGARJF-ZDUSSCGKSA-N 286.312 1.955 0 50 CDAA O=C(c1ncccc1O)N1CCC(c2ncon2)CC1 426497491 WLAKJINHELGPJU-UHFFFAOYSA-N 274.280 1.190 0 50 CDAA CNC(=O)c1ccc(Cn2cc(C[C@H](C)SC)nn2)o1 91664961 SFZAFDPWXWMSLT-VIFPVBQESA-N 294.380 1.573 0 50 CDAA Cn1c(SCCCCCCO)nnc1[C@H]1CCCNC1 426535913 QJBXIFJMVXBKOJ-LBPRGKRZSA-N 298.456 1.927 0 50 CDAA CC(C)Nc1ncc(C(=O)N2CCCC[C@H]2CO)cn1 97117064 ICMBBYMZNGIRDR-LBPRGKRZSA-N 278.356 1.284 0 50 CDAA CC(C)N1CCO[C@H](CC(=O)NCCc2ccco2)C1 97553393 QZERARKDLQPYCR-CQSZACIVSA-N 280.368 1.438 0 50 CDAA CCN(CC)[C@H]1CCN(C(=O)c2c(C)[nH]c(C)cc2=O)C1 426746114 OMDYFYSBAGKYOS-ZDUSSCGKSA-N 291.395 1.548 0 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BAEYBUIPHWDYQA-GFCCVEGCSA-N 272.343 1.798 0 50 CDAA O=C(NC[C@@H]1Cc2ccccc2CN1)c1cccc(O)n1 1615051575 JGVLRVMCZUINEN-ZDUSSCGKSA-N 283.331 1.232 0 50 CDAA C[C@H]1COCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 1615626968 MIXOSBMMOZXOIJ-JTQLQIEISA-N 290.298 1.267 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)O)c(C)s1 128260326 DNYKENUGGZDVEU-JTQLQIEISA-N 283.349 1.681 0 50 CDAA CO[C@]1(C)C[C@@H](NC(=O)[C@H]2CCCNC2)C1(C)C 246636382 KOLFHEAYEQJMLV-MISXGVKJSA-N 254.374 1.306 0 50 CDAA Cc1cc(Cl)cc(C(=O)NC[C@](C)(O)C(=O)O)c1 157502630 YTKKFCOCMSHBEI-LBPRGKRZSA-N 271.700 1.214 0 50 CDAA Cc1nn(CC(=O)O)c(C)c1I 12355494 QISLFXBZKHNZBJ-UHFFFAOYSA-N 280.065 1.189 0 50 CDAA Cc1nc(C)c(CN2CCc3[nH]nc(C(=O)O)c3C2)s1 1857678781 RHMQMMDTNKYSKO-UHFFFAOYSA-N 292.364 1.740 0 50 CDAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cnc(O)[nH]3)C2)n1 1857687297 OYGOFUMTZJQFGM-JTQLQIEISA-N 275.312 1.016 0 50 CDAA CC[C@@H](C)NC(=O)N1CCC2(CC1)CC(=O)N(C)CCO2 1857688481 MGCUWTRFCNXLKP-GFCCVEGCSA-N 297.399 1.208 0 50 CDAA CC[C@@]1(C(=O)NCc2nnc3ccccn23)C[C@@H]2CC[C@H]1N2 1857700887 NRVAWPHIUQEAQI-HWWQOWPSSA-N 299.378 1.266 0 50 CDAA CN1C[C@H](C(=O)N2CC=C(c3cccs3)CC2)CC1=O 117720172 VERNOUFXGCIBEV-GFCCVEGCSA-N 290.388 1.842 0 50 CDAA C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(N)=O)nc1 122814800 QRAYARKRHSZHLB-ZWNOBZJWSA-N 291.351 1.714 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)COc1ccc2c(c1)CCC2 237495601 QDBMFIWCJKDDEK-WFASDCNBSA-N 288.391 1.892 0 50 CDAA O=C([C@H]1C[C@@]12CCOC2)N1CCCc2occc2C1 334142387 NXGHFCSZMUOYCA-IUODEOHRSA-N 261.321 1.981 0 50 CDAA Cc1cc(C(=O)N2CCNCC2)c2ccccc2n1 11866597 UCVGPJNXQYJZMA-UHFFFAOYSA-N 255.321 1.589 0 50 CDAA in-vitro COC(=O)c1ccc([C@H](C)N2C[C@H]3[C@@H](C2)OCCN3C)o1 252512596 STBLZYNSQCKHJE-COPLHBTASA-N 294.351 1.142 0 50 CDAA O=C(O)CC[C@@H](O)CN1CCN(Cc2ccccc2)CC1 385484982 AWVUKFLPGSUMSQ-OAHLLOKOSA-N 292.379 1.030 0 50 CDAA C[C@]1(NCC(=O)N=c2cco[nH]2)CCCc2ccccc21 594383050 QWTROMXCGMFRBV-INIZCTEOSA-N 285.347 1.876 0 50 CDAA Cn1cc(Br)c(CNC2CC(CCO)C2)n1 1857530270 FNHMDSMPHDFWFT-UHFFFAOYSA-N 288.189 1.433 0 50 CDAA CSc1ncccc1C(=O)NCc1csc(=N)[nH]1 1857692405 CSCNMBRXPYUQHS-UHFFFAOYSA-N 280.378 1.603 0 50 CDAA O=C1CCC[C@H](CN2CCC=C(Br)C2)N1 1875272727 FAHZCHNEZHAPKV-SNVBAGLBSA-N 273.174 1.640 0 50 CDAA Cc1cccn2cc(C(=O)NCCC[C@H]3C=NNC3=O)cc12 825277783 VJMOEMYDMCAMAV-LBPRGKRZSA-N 298.346 1.490 0 50 CDAA COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1OC 29916 XENHVEGRCFKEIE-NSHDSACASA-N 265.309 1.613 0 50 CDAA CNC[C@H]1CCCN1C(=O)Cc1ccc(F)c(F)c1 122595322 VEWNMMQKJULLLF-LLVKDONJSA-N 268.307 1.718 0 50 CDAA Cn1cc(CN(CCn2cc(Cl)cn2)C2CC2)cn1 252507742 WTJKLDATPNZYFX-UHFFFAOYSA-N 279.775 1.935 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)[C@H]2CCCO2)c2ccccc21 157706325 NUXINHAYSMSJQY-WCQYABFASA-N 275.304 1.771 0 50 CDAA CC[C@@H](C(=O)O)N1CCC(OC[C@H]2CCCCO2)CC1 191423558 AXTZNPMJOOELFL-KGLIPLIRSA-N 285.384 1.900 0 50 CDAA CC[C@@H](C(=O)O)N1CCC(Cn2cccn2)CC1 191433972 XOBMQOQPLCEUGS-LBPRGKRZSA-N 251.330 1.458 0 50 CDAA CS(=O)(=O)c1ccc(N[C@H]2C[C@@H]3C[C@@H]3C2)nc1 333788014 VUCWKLSDRXQBBC-ILWJIGKKSA-N 252.339 1.696 0 50 CDAA N[C@H]1CCN(C(=O)NCCc2ccccc2F)C1 334887555 UHPARNCFMLZBCR-NSHDSACASA-N 251.305 1.111 0 50 CDAA CC(C)c1ncc(Cl)c(C(=O)N2CC(CN(C)C)C2)n1 382263274 HRQILXYCJAABKT-UHFFFAOYSA-N 296.802 1.887 0 50 CDAA C[C@H]1Cn2nccc2CN1C(=O)Cn1nnc2ccccc21 2325782166 AKIPIEKCJUGNMC-NSHDSACASA-N 296.334 1.059 0 50 CDAA Cc1ncc(O)cc1-c1ccc2c(c1)C(=O)NCCO2 2325861276 LAMSVECHFCTNSB-UHFFFAOYSA-N 270.288 1.885 0 50 CDAA CC1(C)CN([C@H]2CCN(C(=O)Nc3ccns3)C2)C1=O 2325890429 GWIVKTWOKYQYMU-VIFPVBQESA-N 294.380 1.618 0 50 CDAA CC(C)Oc1cc(C(N)=O)ccc1NC(=O)C12CC1C2 2325897956 NXNMRJXEJMWXHM-UHFFFAOYSA-N 274.320 1.921 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1 209526 RVPAEYRUKTWOEW-VIFPVBQESA-N 281.337 1.643 0 50 CDAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C)C1 428606 LMRHRGRDJYHMFT-QMMMGPOBSA-N 257.359 1.447 0 50 CDAA COCCNC(=O)CCCOc1ccc(OC)cc1 1778391 BOIPUSDIYORUNL-UHFFFAOYSA-N 267.325 1.617 0 50 CDAA O=C(C[C@H]1SCCNC1=O)Nc1cccc(F)c1 2341773 VSUAVTBJAPYAFP-SNVBAGLBSA-N 268.313 1.386 0 50 CDAA C[C@@H](NC(=O)c1c(Cl)cnn1C)[C@H]1CCCO1 2778616 BHSJAKOKBWUYFJ-VXNVDRBHSA-N 257.721 1.371 0 50 CDAA COc1ccc(OCCCCCNCCO)cc1 2902904 ROXPOPSHKHQBLF-UHFFFAOYSA-N 253.342 1.826 0 50 CDAA CCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621185 XHUDVJGFBSAYFX-UHFFFAOYSA-N 272.304 1.403 0 50 CDAA CCC[C@H](C(=O)OC)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100673156 ZDXKGUITOPNZOR-SVNGYHJRSA-N 277.320 1.135 0 50 CDAA CCc1ccc(-c2nccn2CCn2cnnc2)nc1 72467908 VERPYUHLCKPBMW-UHFFFAOYSA-N 268.324 1.799 0 50 CDAA COc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cn1 67561740 OUVHATPZPGCSJY-UHFFFAOYSA-N 289.339 1.270 0 50 CDAA C[C@@H](C(=O)N1[C@@H](C)CCC[C@H]1C)N(C)CC(=O)NC1CC1 229613527 LESUKYLWGLRWSC-XQQFMLRXSA-N 295.427 1.375 0 50 CDAA CCOC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 456991 HKZQPMNEFHYXNV-JTQLQIEISA-N 251.282 1.695 0 50 CDAA CC[C@@]1(C)C(=O)NCCN1Cc1nc2ccccc2[nH]1 67935040 DMNWUGYENYPNNN-HNNXBMFYSA-N 272.352 1.663 0 50 CDAA CCCNC(=O)c1cn2c3c(cccc3c1=O)CC2 35257783 FOPWUKMFUUBXQO-UHFFFAOYSA-N 256.305 1.697 0 50 CDAA COc1ccc(CC(=O)N2CC[C@H](O)C2(C)C)c(F)c1 361149564 LAOPEJNWCGWSMZ-ZDUSSCGKSA-N 281.327 1.749 0 50 CDAA COc1ccc(NC(=O)c2ncccn2)c(OC)c1 72437201 FNGYOXIPEXQXAY-UHFFFAOYSA-N 259.265 1.746 0 50 CDAA CN1CCN(C(=O)c2cncc(F)c2)C[C@@H]1c1ncc[nH]1 328641390 XVMFHEKZTCDWMA-GFCCVEGCSA-N 289.314 1.073 0 50 CDAA CCOC(=O)c1nccn1-c1ccc2n[nH]nc2c1 72143785 KCKODQQDNXDQDT-UHFFFAOYSA-N 257.253 1.320 0 50 CDAA CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 36383618 YSZIHDQWFJBDLV-UHFFFAOYSA-N 280.802 1.338 0 50 CDAA COc1cccc(-c2ccc(C(=O)NCc3nn[nH]n3)o2)c1 216291832 HDIXPWHMUSQSMO-UHFFFAOYSA-N 299.290 1.398 0 50 CDAA CC(C)(C)N1C[C@@H](NC(=O)c2c(O)cccc2F)CC1=O 127752654 FFBQQLWONIHVQC-VIFPVBQESA-N 294.326 1.661 0 50 CDAA CSc1ncc(CN2CCC([C@@H](C)O)CC2)cn1 215948675 GJFRITWZPXKJTJ-SNVBAGLBSA-N 267.398 1.791 0 50 CDAA CC(C)Nc1ccc(C(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cn1 333794324 DZXJDLBDTZNZMR-LXTVHRRPSA-N 299.374 1.927 0 50 CDAA O=C(NC[C@H]1CCCCN1C1CC1)N[C@@H]1CCCCNC1 333854806 YAVJHVWBRUYOKO-UKRRQHHQSA-N 294.443 1.445 0 50 CDAA CN(C/C=C/C(=O)N1CCOC(C)(C)C1)CC(F)(F)F 493319272 JYAPJKZVFUZQKP-SNAWJCMRSA-N 294.317 1.674 0 50 CDAA CCOC1(C(=O)N2CC[C@@H](c3n[nH]c(C)n3)C2)CCCC1 334000177 QZYHSYMZUBCZEM-GFCCVEGCSA-N 292.383 1.778 0 50 CDAA C[C@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)CC[S@@](=O)C1 334148488 YMUGEUDXZLJFCU-PRWKNARSSA-N 293.392 1.870 0 50 CDAA Cn1nnnc1CN1CC[C@@H](c2cn(C)c3ccccc23)C1 377933206 UALQYOQWWITHIN-GFCCVEGCSA-N 296.378 1.691 0 50 CDAA CC[C@@](CNC(=O)c1cncnc1)(C(=O)O)c1ccccc1 263021239 ONIRGZHMICTUKX-INIZCTEOSA-N 299.330 1.639 0 50 CDAA COc1ncccc1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 75552119 GJMGIDYKBLALIU-LLVKDONJSA-N 286.335 1.833 0 50 CDAA COc1cc(OC)nc(N2CCN(C(C)C)CC2)n1 286073238 JFXJYPOPLQMRSB-UHFFFAOYSA-N 266.345 1.024 0 50 CDAA C[C@@H]1CCN(CCNC(=O)c2ncnc3ccsc23)C1 611752091 ZGCMFOBOLHTCAS-SNVBAGLBSA-N 290.392 1.763 0 50 CDAA CCC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 242100032 WDTWJXQOBOWZEW-INIZCTEOSA-N 289.423 1.891 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(OC)cc1 223350383 QTUUWHYGEHPUKN-ZIAGYGMSSA-N 279.336 1.619 0 50 CDAA CCCc1occc1C(=O)N1CCOC[C@H]1CC(=O)O 263524392 JBXIYKYMDQROJU-SNVBAGLBSA-N 281.308 1.548 0 50 CDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)n1cc(Cl)cn1 225705048 LGGURPIPWWDILZ-HXFLIBJXSA-N 270.672 1.055 0 50 CDAA COc1ccc(-c2ccc(CNC(C)=O)cn2)c(OC)n1 426689814 DKUMGPBFLJMYCQ-UHFFFAOYSA-N 287.319 1.797 0 50 CDAA Cn1cccc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1 220349622 LCOLLHKYIDTXPM-GFCCVEGCSA-N 285.351 1.214 0 50 CDAA O=C(NCCc1nc(C2CC2)no1)[C@H]1CC[C@@H](C(=O)O)C1 426477708 JFKNTPAYGHHHAY-VHSXEESVSA-N 293.323 1.107 0 50 CDAA O=C(O)[C@H](CO)NC(=O)C1(c2ccccc2)CCCCC1 426389717 PXRPXJMXSHVFTA-ZDUSSCGKSA-N 291.347 1.450 0 50 CDAA CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2OC(=O)C[C@@H]21 43772485 UMDQPEMZJHAFNL-JGOJZHASSA-N 268.353 1.796 0 50 CDAA in-vitro CN[C@@H](C(=O)NCCc1cn[nH]c1)c1ccccc1 221195848 XSWHLJWRIHLCOW-CYBMUJFWSA-N 258.325 1.029 0 50 CDAA Cc1cc(C)nc(CNC(=O)CC[C@H]2CCCN(C)C2)n1 95387656 AJNWRFMJQAQYAH-CQSZACIVSA-N 290.411 1.832 0 50 CDAA Cc1nn(CCC(N)=O)c(C)c1-c1cccc(CO)c1 426399141 BKARWMOZMGBAHV-UHFFFAOYSA-N 273.336 1.535 0 50 CDAA O=C(NCc1ccon1)c1cnc(CN2CCCC2)s1 97572202 HSZZICNPFMUGOR-UHFFFAOYSA-N 292.364 1.657 0 50 CDAA C[C@]12C(=O)N(c3nccs3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C1 239284747 BZKMZALNEDJMLC-DWURIKNASA-N 260.318 1.845 0 50 CDAA CNC(=O)Cn1cc(-c2cccc([C@H](C)N(C)C)c2)cn1 96140972 DAFZWIPJODIEIF-LBPRGKRZSA-N 286.379 1.919 0 50 CDAA C[C@@]1(c2ccccc2)CCC(=O)N(Cc2n[nH]c(=O)[nH]2)C1 91859067 XOTINCKYVVZRFH-OAHLLOKOSA-N 286.335 1.178 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1C1CC1 91625578 MOLFNOBWDIWIEZ-QWHCGFSZSA-N 291.322 1.937 0 50 CDAA COCc1ccc(C(=O)N(CCO)Cc2nccs2)o1 96141253 DMXIDHQIYCCBCI-UHFFFAOYSA-N 296.348 1.517 0 50 CDAA Cc1cc(C(=O)N2CCc3[nH]cnc3C2)c2c(C)noc2n1 95375395 HAFMNSSICZDGQY-UHFFFAOYSA-N 297.318 1.761 0 50 CDAA COc1cc(Br)ccc1S(C)(=O)=O 95496057 QGNIWQCWBWMTPC-UHFFFAOYSA-N 265.128 1.861 0 50 CDAA OCCOc1ccccc1CN1CCC[C@@H]1CCO 97468690 QLCNFAOUSGXVPK-CQSZACIVSA-N 265.353 1.405 0 50 CDAA C[C@H]1CN(Cc2nc3ccc(Cl)cc3n2C)CC(=O)N1 294928672 GDPWZGYBQQDEDL-VIFPVBQESA-N 292.770 1.547 0 50 CDAA COC(=O)c1ccn(-c2ccc(-c3ncon3)cc2)n1 96511494 QXLHYULORHEOPO-UHFFFAOYSA-N 270.248 1.709 0 50 CDAA Cc1cnc(NCCCN2CCCC[C@H]2CO)nc1 95369959 MOHNPOBHKVXDEO-ZDUSSCGKSA-N 264.373 1.434 0 50 CDAA CC(C)c1nc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cs1 240662423 PKVSWZBNVDSFPD-VIFPVBQESA-N 295.364 1.543 0 50 CDAA O=C(CCn1cnnn1)Nc1cccc2ccccc12 524733529 SKFVHRWKYMXFEZ-UHFFFAOYSA-N 267.292 1.855 0 50 CDAA C[C@]1(OC(=O)c2ccccc2)[C@H]2C=C[C@H]1[C@H]1C(=O)N[C@@H]21 257357859 QKUAKIUNNFNAGZ-CQUYNDQOSA-N 269.300 1.533 0 50 CDAA CCCCS(=O)(=O)N[C@H](c1nccn1C)C1CC1 352304044 WNQYTYQXHVKDGT-NSHDSACASA-N 271.386 1.591 0 50 CDAA C[C@@H](C(=O)NCc1cccnc1N)N(C)C1CCCCC1 534652477 ULSFBEMLLSLRIP-LBPRGKRZSA-N 290.411 1.933 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)NCCCOC1CCCC1 351489797 ZNVYNFNXWMDYNC-UHFFFAOYSA-N 280.372 1.900 0 50 CDAA O=S(=O)(NCC1(Cn2ccnc2)CC1)c1cccnc1 534673747 JYUYPTGWXISJCI-UHFFFAOYSA-N 292.364 1.037 0 50 CDAA COCCc1noc(CN(C)c2cnc3ccccc3n2)n1 268240656 WYKFVMLYIKIATQ-UHFFFAOYSA-N 299.334 1.838 0 50 CDAA CNC(=O)c1ccccc1C[C@H]1CC(=O)N(CCOC)C1 299756750 FHBVKYYBTWSDKV-LBPRGKRZSA-N 290.363 1.084 0 50 CDAA CSc1ccc(NC(=O)NC[C@]2(O)CCNC2)cc1 299801215 WJRFIZLJRPEGQV-ZDUSSCGKSA-N 281.381 1.254 0 50 CDAA CC(C)(C)c1noc(CNC(=O)CCCn2cccn2)n1 299786514 MNNWAZYENYISEZ-UHFFFAOYSA-N 291.355 1.660 0 50 CDAA CC(C)N(C)CCC(=O)NCCc1noc(C2CC2)n1 299774180 BWSHXEDODZOUTI-UHFFFAOYSA-N 280.372 1.336 0 50 CDAA CC(C)(C)OC(=O)N1CCCN(C(=O)n2cccn2)CC1 299834914 SREDUUSCWDQNQK-UHFFFAOYSA-N 294.355 1.794 0 50 CDAA CNC(=O)[C@H](NC(=O)COC(C)C)c1ccccc1 299758955 FYPDCSSOVVHMMP-CYBMUJFWSA-N 264.325 1.015 0 50 CDAA Cc1cc(CNS(=O)(=O)CC(C)C)cnc1C 821387185 JHWNAUWDFZYPFP-UHFFFAOYSA-N 256.371 1.774 0 50 CDAA CN(C[C@H]1CCN(C)C1(C)C)C(=O)c1cncnc1 584888561 IMCREIQKAJTTEU-GFCCVEGCSA-N 262.357 1.279 0 50 CDAA CC[C@@H](O)c1nccn1Cc1ccc2nonc2c1 585137401 XLLQGIDSBXBQBY-GFCCVEGCSA-N 258.281 1.911 0 50 CDAA C[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)C[C@@H](O)c1cccc(F)c1 585136912 YLIFJFXVUZISMR-MMYVAXCBSA-N 294.370 1.752 0 50 CDAA CC[C@H](NC(=O)CCCn1cnnn1)c1ccc(C)cn1 584898428 CQCQJPBAVOCTQJ-LBPRGKRZSA-N 288.355 1.424 0 50 CDAA COc1ccc(C)cc1C(=O)N[C@@H](C)c1nncn1C 584890882 BRQBNRJEAXIDEN-JTQLQIEISA-N 274.324 1.623 0 50 CDAA CCn1cnnc1CN(C)CC(=O)N1CCc2ccccc21 670463559 VZFZGTICGCQWPS-UHFFFAOYSA-N 299.378 1.319 0 50 CDAA C[C@H]1CN(Cc2ccccc2)CC[C@H]1N[C@H](C)CO 268867051 UFDCPYMFQYUWPT-SQWLQELKSA-N 262.397 1.867 0 50 CDAA CO[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1O 670454077 COTUOJVFWWOLRI-IUCAKERBSA-N 262.231 1.296 0 50 CDAA CNC(=O)N[C@@H]1CCCN(Cc2ccc(F)cn2)C1 952884293 XEBRIFNIVPHEQE-GFCCVEGCSA-N 266.320 1.114 0 50 CDAA COC(=O)c1ccc(F)c(Cn2cnc([C@H](C)O)c2)c1 1875274946 DQFMKPXLIMMTTK-VIFPVBQESA-N 278.283 1.910 0 50 CDAA CCc1nn(C)cc1-c1cncc(NC2CCNCC2)n1 1875325437 XURJQFQWDHZRNL-UHFFFAOYSA-N 286.383 1.603 0 50 CDAA Cc1ccnc(-c2cn(CCNC(=O)[C@@H]3C[C@@H]3F)nn2)c1 1875323203 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CCOC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 32915052 BWRNREIEPIQCOI-UHFFFAOYSA-N 272.345 1.102 0 50 CDAA in-vitro CN(C)c1nc(N[C@H](CO)c2ccc(F)cc2)ncc1F 1772707513 VYQCVMVXAWPFMU-GFCCVEGCSA-N 294.305 1.966 0 50 CDAA CCC(=O)c1ccccc1OCCN1CCN(C)CC1 20652689 WTSCCYPWWSYFTA-UHFFFAOYSA-N 276.380 1.906 0 50 CDAA NC(=O)c1ccc(NC(=S)NCc2ccco2)cc1 13522924 BDXKIAHSGCFSPQ-UHFFFAOYSA-N 275.333 1.865 0 50 CDAA NCCS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 18276888 NFANMHFDNNUPEV-SNVBAGLBSA-N 284.768 1.664 0 50 CDAA O=C(CF)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 19227949 ZXHZRHSEGRLGDL-ZETCQYMHSA-N 293.553 1.101 0 50 CDAA COc1cccc(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c1 19794758 NTXXWKAREKTDBY-HZSPNIEDSA-N 295.379 1.544 0 50 CDAA Cc1cc(F)cc(NC(=O)NCCS(C)(=O)=O)c1 152808022 VOKGRVGITKMQMB-UHFFFAOYSA-N 274.317 1.300 0 50 CDAA COc1cc(F)ccc1-c1nccn1C[C@@]1(O)CCNC1 1857715579 YKPBYCLJBFNEEL-OAHLLOKOSA-N 291.326 1.422 0 50 CDAA Cc1nc([C@@H]2CN(C)CCO2)n(-c2ccc(F)cc2F)n1 1857717189 NFQDYMQVBYOGOF-ZDUSSCGKSA-N 294.305 1.857 0 50 CDAA C[C@H]1COCCCN1c1ncnc2c1ncn2C1CC1 644863921 FUOPORSJMSCCHY-JTQLQIEISA-N 273.340 1.776 0 50 CDAA C[C@@H](c1nnnn1C)N1CCO[C@@H](c2ccccc2)C1 249499276 WTUYCVVIYNBEHA-WCQYABFASA-N 273.340 1.345 0 50 CDAA Cc1occc1C(=O)N(CCC(=O)O)C1CCOCC1 237668360 CEJZFUFGHSNTHE-UHFFFAOYSA-N 281.308 1.684 0 50 CDAA Cc1cnc(N2CCC[C@@H]2[C@H]2COCC[C@H]2O)nc1C 408171801 ODNUYGSSWWOIFV-MGPQQGTHSA-N 277.368 1.460 0 50 CDAA O=C(O)c1ccc(CNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)o1 227692475 VXMMQMYMEJBZME-NGZCFLSTSA-N 261.277 1.806 0 50 CDAA CC[C@H]1C[C@H](CC(=O)N2C[C@H](OC)C[C@H]2CO)CCO1 330542181 IKUZLLKNCDSRTF-ZOBORPQBSA-N 285.384 1.190 0 50 CDAA CC(C)[C@@H](O)C1(CNC(=O)[C@H]2CCn3ccnc3C2)CC1 332805364 BOKXZVSOXWRCHE-GXTWGEPZSA-N 291.395 1.359 0 50 CDAA CCSCCCNC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 252481779 CRUSQCAAYOTZAK-IJLUTSLNSA-N 299.440 1.438 0 50 CDAA Cn1ncc2c(N)nc(N3CC[C@H](C4CC4)C3)nc21 373054737 CJENMBUSVOZPPM-VIFPVBQESA-N 258.329 1.182 0 50 CDAA Cn1cnc2cc(C(=O)N3CCCC[C@H]3C(=O)O)ccc21 263381053 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392091545 IEZNKOVHNWDJAK-JTQLQIEISA-N 285.319 1.948 0 50 CDAA Cc1cc(C)c(CN[C@H](C)CS(C)(=O)=O)cn1 396978042 LMRDPQZWWDRBLC-LLVKDONJSA-N 256.371 1.221 0 50 CDAA CN(Cc1cnc[nH]1)C1=NC[C@@H](c2ccccc2)N1 2325771436 ROKHOAXZRPANSY-ZDUSSCGKSA-N 255.325 1.542 0 50 CDAA CCOC(=O)Cn1nc(C)c(Br)c1C 94997 YWDSLMPDMFFYNV-UHFFFAOYSA-N 261.119 1.826 0 50 CDAA O=C1C=C(Br)C(=O)N1c1ccc(F)cc1 162566 MIOWRNLNVURVCC-UHFFFAOYSA-N 270.057 1.978 0 50 CDAA O=C(C[C@@H](C(=O)O)N1CCCCC1)Nc1ccccc1 195857 QGDCJOTWVVFFJZ-ZDUSSCGKSA-N 276.336 1.954 0 50 CDAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccncc1)C2=O 258711 CSRRMJQYHRCQEY-UHFFFAOYSA-N 268.228 1.580 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1Cl 390725 HVURDZFPGRJQFO-SSDOTTSWSA-N 277.729 1.400 0 50 CDAA C[C@@H]([C@H]1COc2ccccc2O1)N1C(=O)CCC1=O 447801 RHIHVJMIDLYLCI-JOYOIKCWSA-N 261.277 1.364 0 50 CDAA O=C(Nc1ccc(SC(F)F)cc1)C1=NCCN1 545127 PTFFKKCGXQMTJJ-UHFFFAOYSA-N 271.292 1.942 0 50 CDAA CCNc1nc(N)nc(Oc2ccc(C(=O)OC)cc2)n1 608752 FOJOZPFVJOWUSR-UHFFFAOYSA-N 289.295 1.465 0 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COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](OC)C3)cn1 824500060 HJHYLXQXJCMZBZ-ITGUQSILSA-N 276.336 1.872 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)CC(C)C)CC1 823830671 GDJFKBSILJLZGK-HAQNSBGRSA-N 290.429 1.114 0 50 CDAA CCc1nc(CN2CCc3cc(OC)ccc3C2)n[nH]1 661739020 DDSRKFPFVOYOBW-UHFFFAOYSA-N 272.352 1.934 0 50 CDAA CC[C@@H](NC(=O)CCCn1cnnn1)c1ccc(F)cc1 584903569 TVJJEIQRUQETJE-CYBMUJFWSA-N 291.330 1.860 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)Cn1ncc2ccccc21 584894798 WJJNLLDJQSAXCM-CQSZACIVSA-N 297.362 1.828 0 50 CDAA COc1cc(C)sc1C(=O)N1CCO[C@H](CC(=O)O)C1 269049523 UQUNXITZLXNPCT-SECBINFHSA-N 299.348 1.381 0 50 CDAA CC1(C)C[C@H](O)CCN(C(=O)CN2CCCCC2=O)C1 670447791 FIIALVLYMNNAQZ-GFCCVEGCSA-N 282.384 1.008 0 50 CDAA CC(C)(O)[C@H](O)CN1CCO[C@H](c2cccc(F)c2)C1 1875276466 MPNVXAJJNJFRHX-UONOGXRCSA-N 283.343 1.331 0 50 CDAA C[C@H](O)Cc1cn(CCc2nc(O)c3ccccc3n2)nn1 1875282211 RJDKLRXHVWXGSP-JTQLQIEISA-N 299.334 1.093 0 50 CDAA OC[C@H]1CCCN(CCNCc2ccc3[nH]ccc3c2)C1 952969347 DXRBOAOXRZOKAZ-HNNXBMFYSA-N 287.407 1.962 0 50 CDAA Cn1cnc2cc(CN[C@H]3C[C@@H](O)[C@@H]3n3cccn3)ccc21 888076154 BIBXGTHIMQCPBT-NUEKZKHPSA-N 297.362 1.234 0 50 CDAA COCc1nc(O)cc(NC[C@H]2N(C)CCCC2(C)C)n1 893570687 GOACBEGEPOVHML-LLVKDONJSA-N 294.399 1.861 0 50 CDAA C[C@H]1CN(c2cc(Cl)c3cnn(C)c3n2)CC(=O)N1C 1774613692 CBWBPKQEPSGKFT-QMMMGPOBSA-N 293.758 1.289 0 50 CDAA CSCC(=O)N[C@H]1CCOC[C@@H]1OCC1CCC1 1565507511 YGAAHKHVGPDWSF-RYUDHWBXSA-N 273.398 1.440 0 50 CDAA CCC[C@H]1CN(Cc2cc(O)nc(C)n2)C[C@@H]1C(=O)O 1565514797 XXMIDBFFDMTHJT-JQWIXIFHSA-N 279.340 1.423 0 50 CDAA CCc1ccccc1OCCN1CC[C@@H]2CNC[C@@H]21 1565512349 YQYRTAAJLMSBIX-CABCVRRESA-N 260.381 1.922 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)C1=COCCC1 276156940 FUIQKXCFGMUEMN-LLVKDONJSA-N 261.325 1.256 0 50 CDAA NS(=O)(=O)c1ccccc1N1CC[C@@H]([C@@H]2CCOC2)C1 631176575 AZXHSFONSBOGMH-VXGBXAGGSA-N 296.392 1.197 0 50 CDAA Cc1ccsc1[C@@H](CO)NC(=O)c1cn2c(n1)CCC2 515386372 NRTHNVYGMNQNOY-LLVKDONJSA-N 291.376 1.663 0 50 CDAA COc1ncccc1NC(=O)N1CC(C(C)(C)O)C1 170616989 NKZHZHCAWKVCAX-UHFFFAOYSA-N 265.313 1.325 0 50 CDAA COC(=O)c1nc(Br)n2ccccc12 95707516 OTNDFIRYBNNQSB-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA in-vitro CCc1occc1C(=O)N(C)[C@@H](C)C[S@@](C)=O 280653895 DUOLDLVLAXXQJB-HUTHGQBESA-N 257.355 1.681 0 50 CDAA Cc1cnc2c(C)cccc2c1N1C[C@@H](O)[C@H](O)C1 408391902 FXIUFEGCFFLYAM-CHWSQXEVSA-N 258.321 1.393 0 50 CDAA CN(C)C(=O)CCCSc1n[nH]c(-c2ccccn2)n1 188015052 GTERNQSVZYUMDD-UHFFFAOYSA-N 291.380 1.827 0 50 CDAA O=S1(=O)CCN(c2nc3ccccc3o2)[C@@H]2CCC[C@H]21 408519686 QTSHRRODOZGENI-DGCLKSJQSA-N 292.360 1.984 0 50 CDAA Cc1ccc2cccc(C(=O)N3CCN(C)C(=O)[C@H]3C)c2n1 188494039 KTLLSSDDIASBQE-GFCCVEGCSA-N 297.358 1.846 0 50 CDAA CC(C)N(C)C(=O)N1CCN(c2cccs2)C(=O)C1 190893015 JVHRQOHZRBNVJM-UHFFFAOYSA-N 281.381 1.857 0 50 CDAA CCn1cncc1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643772897 ZYDBIFBWDVUATR-OLZOCXBDSA-N 275.356 1.588 0 50 CDAA Cc1n[nH]cc1CN1CCC[C@H]1c1ccc(N(C)C)nn1 643707117 OQWQLXRZGZCTEE-AWEZNQCLSA-N 286.383 1.911 0 50 CDAA CCN1CN(C(=O)NCCCC(C)(C)C)CC1=O 195580037 HVNSZCIMKXZTNS-UHFFFAOYSA-N 255.362 1.644 0 50 CDAA C[C@@H](CC(=O)O)NC(=O)c1cccc2c1OCC2(C)C 566926956 SIESTADUXUOZMO-VIFPVBQESA-N 277.320 1.950 0 50 CDAA Cc1cc(CC(=O)N(C)Cc2noc(C3CC3)n2)n(C)n1 576877531 ACUDRNCTOSGUIU-UHFFFAOYSA-N 289.339 1.190 0 50 CDAA C[C@@H]1COCCN1CCNc1ncc(Cl)cn1 673933581 ZIEWOXXKHJIYIJ-SECBINFHSA-N 256.737 1.263 0 50 CDAA O=C(O)c1csc(CCNC(=O)c2ccncc2F)n1 90939910 NJTIZXNELONAKD-UHFFFAOYSA-N 295.295 1.348 0 50 CDAA Cc1nc([C@H](C)N(C)C(=O)NCCC(=O)O)c(C)s1 1506411325 YISXHHWMSTYPDD-ZETCQYMHSA-N 285.369 1.937 0 50 CDAA O=C1C[C@@H](C(=O)NC2(C(=O)O)CCCC2)C2(CCCC2)O1 1506398386 ZBPWDLAKLWKXDY-JTQLQIEISA-N 295.335 1.376 0 50 CDAA Cc1c(NC(=O)[C@@H]2Cc3ccccc3C(=O)N2)cnn1C 1506410502 LMIVUQHIWYWHAR-LBPRGKRZSA-N 284.319 1.022 0 50 CDAA CN(Cc1ncc[nH]1)[C@H]1CCOC2(CCNCC2)C1 1857672291 PLKIGVKGTVPURQ-LBPRGKRZSA-N 264.373 1.143 0 50 CDAA C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1cnc[nH]1 1857699536 SAHGRZKHCIJATQ-SNVBAGLBSA-N 258.325 1.967 0 50 CDAA O=C(NC[C@@H]1CCC[C@H]1O)[C@H](C1CC1)N1CCCC1 332902785 PPJRFYKHSCYSMD-MJBXVCDLSA-N 266.385 1.138 0 50 CDAA Nc1nc[nH]c(=NCC2(CCO)CCC2)c1Cl 578010166 GTMXNMFBFXPQGB-UHFFFAOYSA-N 256.737 1.099 0 50 CDAA Cc1cc(S(=O)(=O)N(C)CC(=O)O)cc(C)c1F 261855060 PEEVGZUTVYAJCV-UHFFFAOYSA-N 275.301 1.148 0 50 CDAA Cc1ccc(O)c(NC(=O)[C@H]2CCCOCC2)n1 377095034 QGBZQPJQKILDTM-JTQLQIEISA-N 250.298 1.851 0 50 CDAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc(O)cc2)C1 214983592 NKYXQWBXGPMYIU-LLVKDONJSA-N 297.376 1.289 0 50 CDAA CCC[C@@H](Nc1nnc(-c2ccon2)s1)C(=O)O 263546347 HHKHHPQHWUXZON-SSDOTTSWSA-N 268.298 1.858 0 50 CDAA OCC1(CO)[C@H]2CN(CC3CCC(F)(F)CC3)C[C@H]21 1772707907 XYHUYORSEGDGNS-TXEJJXNPSA-N 275.339 1.345 0 50 CDAA COc1ccc([C@H](C)NC(=O)CCC(=O)O)cc1OC 11847633 COJJBSHQGLJROJ-VIFPVBQESA-N 281.308 1.746 0 50 CDAA CCNC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 13679730 SCVOTWUWIAVFNC-UHFFFAOYSA-N 270.354 1.222 0 50 CDAA O=C(NCCCN1CCCC1=O)c1ccccc1F 13746711 SYZRMJMZUAMXNW-UHFFFAOYSA-N 264.300 1.568 0 50 CDAA Oc1nncc(Br)c1Br 17300621 AGLQURQNVJVJNB-UHFFFAOYSA-N 253.881 1.707 0 50 CDAA COc1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1 19228506 FGHXHGXNKZPYCG-CQSZACIVSA-N 288.347 1.813 0 50 CDAA O=C(CCc1ccncc1)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1857708185 KBHGCJZQSZVECC-QLFBSQMISA-N 290.363 1.013 0 50 CDAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1ccnn1C 408473475 KQMOZPJJOKVHJH-TZMCWYRMSA-N 299.378 1.204 0 50 CDAA COc1ccc(-n2ccc(C(=O)N3CC[C@H](N)C3)n2)cc1 237512056 DAGSRWKNJFMGNN-NSHDSACASA-N 286.335 1.054 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)COCCc1ccccc1 238068594 OAOHXJNPTJROSX-CYBMUJFWSA-N 277.320 1.321 0 50 CDAA O=C(Nc1ccc2nncn2c1)[C@H]1CCn2cncc2C1 376876087 LOSYYOVIWJBOIC-JTQLQIEISA-N 282.307 1.127 0 50 CDAA CC(C)(C)OC(=O)NCCN[C@@H]1[C@H]2OC[C@H]3C[C@@H]1C[C@@H]32 924884412 CVQVEBNCQCYPHT-BNDIWNMDSA-N 282.384 1.524 0 50 CDAA CCc1nnc([C@@H]2CN(CCc3ccns3)CCO2)o1 930272021 VZJAIBKHCNJJKT-NSHDSACASA-N 294.380 1.705 0 50 CDAA CCc1ccc(NC(=O)NCC[C@H]2CC(=O)N(C)C2)nc1 932428069 NWXYITFKTGYLKJ-LBPRGKRZSA-N 290.367 1.634 0 50 CDAA C[C@@H](O)c1ccc(N2CCCC[C@H]2C(N)=O)c(F)c1 109581772 VGRNPQQZBQDCGD-RNCFNFMXSA-N 266.316 1.723 0 50 CDAA COC(=O)[C@H](NC(=O)[C@H](C)Oc1ccccc1)C(C)C 2863033 MSZVLAXBPNAMJD-WCQYABFASA-N 279.336 1.768 0 50 CDAA CC[C@]1(C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)CCCN1 122370084 OFXRXVXZBXEYJF-UMVBOHGHSA-N 265.401 1.262 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1 10544264 FSOQLWNEOZBJCP-KGLIPLIRSA-N 283.393 1.919 0 50 CDAA CCc1cccc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)c1 236997952 YCKPFYZYYDNKMD-AAEUAGOBSA-N 282.409 1.749 0 50 CDAA CN(CCC(=O)O)[C@@H]1CCN(c2ccccc2Cl)C1=O 237242957 SUEADDGEWQUGCI-GFCCVEGCSA-N 296.754 1.852 0 50 CDAA O=C(NC[C@@H](CC1CC1)C(=O)O)[C@H]1CCCOC1 405440126 VKJIYKVNUKEKIT-WDEREUQCSA-N 255.314 1.030 0 50 CDAA O=C(NC[C@]1(O)CCCNC1)C1CCCCCC1 534649944 SFUNURBKXRGYGY-AWEZNQCLSA-N 254.374 1.188 0 50 CDAA CC1(C)C[C@H](CN=c2ccc3nncn3[nH]2)CCO1 577837500 GWWRVWOIDRONSK-SNVBAGLBSA-N 261.329 1.163 0 50 CDAA CCNS(=O)(=O)N1CCC[C@H]1c1cccnc1 365434928 AXWZYGMDZZADLM-NSHDSACASA-N 255.343 1.073 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 1428593 ATFYDNSGKLEZDZ-UHFFFAOYSA-N 287.291 1.808 0 50 CDAA CC(C)C[C@H](C)Nc1ncnc2c1cnn2CCO 2325749438 XSUQUZLEVPHBBQ-JTQLQIEISA-N 263.345 1.665 0 50 CDAA F[C@@H]1CNC[C@@H]1Nc1ncnc2c1cnn2-c1ccccc1 2325764872 ICFHWQXIFJZBSK-OLZOCXBDSA-N 298.325 1.537 0 50 CDAA N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 2325768744 HIYBUSPGRMCFAL-XHDPSFHLSA-N 284.363 1.934 0 50 CDAA O=C1N[C@H](c2cc(C(F)(F)F)co2)N2CCOC[C@H]12 2325776908 NCFVTWWEBJVQBP-APPZFPTMSA-N 276.214 1.128 0 50 CDAA Cn1nc(C(=O)O)cc1CN1CCC[C@@H]2C[C@H](O)CC[C@@H]21 2325789253 GYTDOIKZBOVVIJ-QKCSRTOESA-N 293.367 1.244 0 50 CDAA O=C(O)Cn1cnc(NC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 2325810108 PYWAWRVVIPOVDT-VWYCJHECSA-N 290.323 1.294 0 50 CDAA Cc1cc(-c2nc(-c3ccc(F)cn3)no2)c(O)nn1 2325823721 BQMLLMQARJFIAX-UHFFFAOYSA-N 273.227 1.742 0 50 CDAA C[C@]1(C(=O)N2CC[C@H](N)C2)CC(c2ccccc2)=NO1 911731364 USTAICJQEWHVEG-SWLSCSKDSA-N 273.336 1.129 0 50 CDAA 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CC1(C)CO[C@H](CS(=O)(=O)NCc2cscn2)C1 1875289950 ZWSSEIUJWLSOAX-JTQLQIEISA-N 290.410 1.378 0 50 CDAA C[C@@H]1[C@@H](COC(=O)c2nc[nH]c3nccc2-3)C1(F)F 1875295191 SSOKUTMHSKFWDG-HTRCEHHLSA-N 267.235 1.968 0 50 CDAA COc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)[nH]n1 1875283975 KAHQJTAUDAYSIC-LBPRGKRZSA-N 261.325 1.823 0 50 CDAA CN(CCn1ccnc1)C(=O)N=c1ccc(C2CC2)n[nH]1 1875277551 QJVCZHRAWQXFFG-UHFFFAOYSA-N 286.339 1.136 0 50 CDAA O=C(CCc1cccc(O)c1)NC1(c2ncc[nH]2)CC1 1775999133 OIELQFPMPYZKTQ-UHFFFAOYSA-N 271.320 1.853 0 50 CDAA C=CC(=O)N1CC[C@H](n2c(=O)oc3ccccc32)C1 1776007089 NMRLYVKZGBHJAJ-JTQLQIEISA-N 258.277 1.554 0 50 CDAA COc1ccc2ncn([C@H]3CC[C@H](N)C3)c(=O)c2c1 1565531466 JMHAKBIYKKBFGE-UWVGGRQHSA-N 259.309 1.457 0 50 CDAA O=C(C1[C@@H]2CCC[C@@H]12)N1CCN(c2cccs2)C(=O)C1 186238049 PXCAGNMPLYUMFB-GHMZBOCLSA-N 290.388 1.969 0 50 CDAA O=C(NC[C@@H]1CCSC1)[C@@H]1Cc2ccccc2O1 279176740 HYUBVRMJEXJBQH-GWCFXTLKSA-N 263.362 1.859 0 50 CDAA O=C(Nc1cnns1)c1cccc(-n2cccn2)n1 170603846 IQSQGEVZXZINAJ-UHFFFAOYSA-N 272.293 1.371 0 50 CDAA COc1ccc(CNS(=O)(=O)c2ccc(C)nc2)cn1 170613304 APVGDMSJCDIDME-UHFFFAOYSA-N 293.348 1.272 0 50 CDAA CO[C@@](C)(C(=O)N[C@H](C)CC(=O)O)c1ccccc1F 668272405 CUWZYIQKJCYPCH-YMTOWFKASA-N 283.299 1.667 0 50 CDAA CCn1ncnc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 281967781 VLZVZZPIHRYURW-ZIAGYGMSSA-N 290.342 1.745 0 50 CDAA Cn1nc(C(=O)O)cc1CN[C@@H]1CCc2ccccc2C1 635302384 ATXCDPPNECTWKO-CYBMUJFWSA-N 285.347 1.765 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)Nc1nnc2ccccn12 408474376 TUPSDNAGUXBBCW-NXEZZACHSA-N 260.297 1.483 0 50 CDAA C[C@H](C(=O)N1CCC[C@H](O)[C@@H]1C)c1ncccc1F 408472411 ZVUGLBLKQBAQTD-NHCYSSNCSA-N 266.316 1.696 0 50 CDAA CC(C)n1ncnc1C[S@@](=O)c1n[nH]c(C2CC2)n1 555767513 QOGUMHREUOTIDC-LJQANCHMSA-N 280.357 1.162 0 50 CDAA C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cncn1C 225475523 QKTOZYVMRAOSBX-ZFWWWQNUSA-N 298.390 1.670 0 50 CDAA Cc1ccc(CN(C)[C@@H]2CCN(c3cnn(C)c3)C2=O)o1 111193124 FORILFBSMYKWBX-CQSZACIVSA-N 288.351 1.559 0 50 CDAA CC(C)(C)OC(=O)[C@@H]1CCCCN1C[C@@H]1CNC(=O)C1 585094292 DPERJHVZHOMMST-RYUDHWBXSA-N 282.384 1.319 0 50 CDAA CO[C@@](C)(c1noc(COC2CN(C(C)=O)C2)n1)C1CC1 643967208 GXVRYLNYJLBUGX-CQSZACIVSA-N 295.339 1.089 0 50 CDAA CCc1nc(=NCc2ccnc(Cl)n2)s[nH]1 585092101 FJDDQGQJRZQAGK-UHFFFAOYSA-N 255.734 1.578 0 50 CDAA CC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2ccccc2)C1 652390016 VWESDJIPHSOQIS-ZIAGYGMSSA-N 276.336 1.413 0 50 CDAA COCCC(=O)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653334103 XSELPWNZSXAYRC-NWDGAFQWSA-N 263.293 1.452 0 50 CDAA CCO[C@@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 659204613 SRDKLQUGHNOHAG-QMMMGPOBSA-N 269.301 1.066 0 50 CDAA CO[C@H]1CCN(C(=O)c2nc3c(s2)CCCC3)C1 1506397824 DCXLKTWXAGOHHR-VIFPVBQESA-N 266.366 1.883 0 50 CDAA CN(Cc1ccc2nsnc2c1)C(=O)c1cccc(N)n1 1506419375 ZRNGPJUQGFALCG-UHFFFAOYSA-N 299.359 1.941 0 50 CDAA Cc1cnc(N[C@H](CO)Cc2ccccc2)nc1N(C)C 1529178812 PPMAVXMGNRCWGY-AWEZNQCLSA-N 286.379 1.867 0 50 CDAA CN(CC[C@H]1CCCCO1)Cc1cc(O)nc(O)n1 1529191335 WWODUDBCGYNDIY-LLVKDONJSA-N 267.329 1.279 0 50 CDAA CS(=O)(=O)CC1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 329238305 PNNXNSPSGRPQOY-OLZOCXBDSA-N 285.409 1.316 0 50 CDAA COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1c(C)noc1C 330533336 IADGCKBWNGNZAO-RYUDHWBXSA-N 282.340 1.096 0 50 CDAA CCn1ncc(C(=O)N2CCCNCC2)c1C(F)(F)F 236977948 YUYLZGSOJCXFLZ-UHFFFAOYSA-N 290.289 1.357 0 50 CDAA CCCn1nc(N2C[C@@H](C(=O)O)CC2=O)cc1C 12404936 YPGGDBULEADDQB-VIFPVBQESA-N 251.286 1.039 0 50 CDAA in-vitro COC(=O)/C=C/CNC(=O)C[C@H](O)c1cccc(F)c1 1875333125 BXCFXQAQXFMQHW-UXONFWTHSA-N 281.283 1.095 0 50 CDAA CC(C)(C)c1noc(=O)n1Cc1ccc(C(N)=O)cc1 1857532291 YRUYYFXGKMYYEN-UHFFFAOYSA-N 275.308 1.281 0 50 CDAA Cc1nc(-c2cnc3cccnn23)n(CC(F)(F)F)n1 1857677068 WJJRUGFYLRTDGG-UHFFFAOYSA-N 282.229 1.859 0 50 CDAA CNC(=O)Cc1nc(-c2cnc(C)cc2C)n(C(C)C)n1 1857700348 FRHKADQCRPOVFG-UHFFFAOYSA-N 287.367 1.826 0 50 CDAA Cc1ccc(CC(=O)N[C@@H](CC2CC2)C(=O)O)s1 262145506 KTDDNPRACVEHLQ-NSHDSACASA-N 267.350 1.969 0 50 CDAA COCc1nnc(NCCCOC2CCCC2)o1 1772708660 KAGFMVGJNZYKTE-UHFFFAOYSA-N 255.318 1.977 0 50 CDAA O=C(Nc1ncccn1)c1c[nH]c2ccccc2c1=O 12421836 MWEKNBXMDHNJSX-UHFFFAOYSA-N 266.260 1.570 0 50 CDAA Cc1nnc2n1CCN(C(=O)/C=C/c1cccs1)CC2 14994996 UNINGECIHLTDSL-SNAWJCMRSA-N 288.376 1.746 0 50 CDAA Cc1ccn(S(=O)(=O)c2ccc3c(c2)OCCO3)n1 16578633 XSRAQMDIMZKKNA-UHFFFAOYSA-N 280.305 1.200 0 50 CDAA O=C(O)[C@@H]1Cc2cc(F)ccc2N(Cc2cc[nH]n2)C1 1857531840 QNCZXPJGNHJPPH-SNVBAGLBSA-N 275.283 1.812 0 50 CDAA Cc1nc([C@@H]2CCc3ncnn3C2)n(Cc2ccccc2)n1 1857674307 CQCRYBWJIWYREI-CQSZACIVSA-N 294.362 1.956 0 50 CDAA Cc1nc(CN2CCOc3ccc(CO)cc3C2)cn1C 1857693900 RINJUQNCDQIIET-UHFFFAOYSA-N 287.363 1.615 0 50 CDAA NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2900793 WBLOXKKSFGQLHP-UHFFFAOYSA-N 260.293 1.328 0 50 CDAA in-vitro Cc1noc([C@H]2CN(C[C@H]3CCCCO3)CCN2C)n1 328985364 ZONMGOWLIVTUKC-CHWSQXEVSA-N 280.372 1.236 0 50 CDAA O=C(O)Cn1ccc(NC(=O)c2coc3ccccc23)n1 122962764 APJBKNRCYGKPCR-UHFFFAOYSA-N 285.259 1.966 0 50 CDAA C[C@H](c1cccnc1)N1CCO[C@H](Cn2ccnn2)C1 639861790 QXPKPPIPABWBLQ-OCCSQVGLSA-N 273.340 1.135 0 50 CDAA Cc1nc(O)c2c(n1)CN(c1nc(C)nc(C)c1C)C2 641687065 IKCUMCYEYJRGBZ-UHFFFAOYSA-N 271.324 1.726 0 50 CDAA CC(C)(C(=O)N1CCO[C@H](CC(=O)O)C1)c1cccs1 236693040 SSSNVFDSTPQAGA-SNVBAGLBSA-N 297.376 1.728 0 50 CDAA O=C(c1cc2n(n1)CCCC2)N1CCC[C@@H]1c1cc[nH]n1 333379926 FJRBKHJDDSNCJS-CQSZACIVSA-N 285.351 1.920 0 50 CDAA CC(C)CCn1ccc(NC(=O)C2(NC(N)=O)CC2)n1 156483593 OKLFGHYFURTJOG-UHFFFAOYSA-N 279.344 1.069 0 50 CDAA CCc1n[nH]cc1C(=O)NC[C@@]1(C)CCCC[C@H]1O 584907291 MHTLKFQWUVVQRN-TZMCWYRMSA-N 265.357 1.643 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@H](O)CCCO 585121774 ZFXXYFUIHFGLAC-CYBMUJFWSA-N 296.367 1.010 0 50 CDAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1cnn2ccccc12 263535253 YWGGUSCAALRGID-QWRGUYRKSA-N 287.319 1.660 0 50 CDAA O=C(Nc1nc2c(s1)CCC2)[C@@H]1NCC12CCOCC2 852787704 VAFNJABVODQDEX-NSHDSACASA-N 293.392 1.339 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CC[C@@H](CC(=O)O)O2)C1 1857781140 OBBWWCDAEAQQAD-VIFPVBQESA-N 271.313 1.630 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1cnn(C2CCCC2)c1C 861334031 CJXYPWZJQZIHIW-UHFFFAOYSA-N 290.367 1.890 0 50 CDAA OCC1(CNc2cc(N3CCCC3)ncn2)CCC1 225485347 JFSGLXUWZCDBFI-UHFFFAOYSA-N 262.357 1.651 0 50 CDAA COCCCCN1CCN(c2cnccn2)CC1 117872674 QOHDKYGUWRUAKW-UHFFFAOYSA-N 250.346 1.025 0 50 CDAA CCN(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 4704965 GBEWEDVJDWVGOA-UHFFFAOYSA-N 293.344 1.935 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)N2CCCCCC2)[C@H]2C=C[C@H]1O2 238997480 AIXKLNBEFCDSDD-DDHJBXDOSA-N 265.309 1.043 0 50 CDAA CC(C)C[C@H](N)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 262676483 SKTDUHDYOZTILC-AGIUHOORSA-N 255.406 1.301 0 50 CDAA CN(CCc1ccccn1)CC(=O)NCc1ccco1 171052835 BOKFUTIZCNXOKW-UHFFFAOYSA-N 273.336 1.465 0 50 CDAA COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)cc1C 189174778 BOKFRJGVVKJVMZ-NEPJUHHUSA-N 299.392 1.253 0 50 CDAA COCc1nc(CNC2CSCCSC2)no1 67727491 FVINQNWCSOUFBN-UHFFFAOYSA-N 275.399 1.154 0 50 CDAA COc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2NC3)cc1F 701073417 LTHJAXKUSOVDIN-WQAKAFBOSA-N 278.327 1.705 0 50 CDAA COCCc1noc(CN(C)Cc2nc(C)sc2C)n1 443608547 YTQLDYOPGLEGIX-UHFFFAOYSA-N 296.396 1.964 0 50 CDAA CS(=O)(=O)N1CCC[C@@H](N[C@@H]2CCC23CCCC3)C1 336310767 BXWOMOJIZQDLRV-CHWSQXEVSA-N 286.441 1.723 0 50 CDAA Cc1nccn1CCNC(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 380544182 WKOQYWMYEBRVLO-VXGBXAGGSA-N 279.340 1.199 0 50 CDAA CCCCN(CCCC)Cc1c(C(=O)O)[nH]c(=O)[nH]c1=O 2465947 ZYACRERYXQHGKH-UHFFFAOYSA-N 297.355 1.164 0 50 CDAA CCCNC(=O)c1c(OC)cc(=O)n2c1CCCCC2 643253444 HJAYONLLOHMXGX-UHFFFAOYSA-N 278.352 1.723 0 50 CDAA CN(C[C@H]1C[C@@H](O)C1)C1=NC[C@H](c2ccccc2)N1 2325771452 XEMUZRAFXQPILM-KWCYVHTRSA-N 259.353 1.390 0 50 CDAA CN(C(=O)c1ncccc1O)[C@H]1CCCc2c1cnn2C 132755934 WDRWTUINVSIBCC-NSHDSACASA-N 286.335 1.670 0 50 CDAA O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 113092 CJROUZFQNICTKL-UHFFFAOYSA-N 295.316 1.555 0 50 CDAA COc1ccc(N2C(N)=NC(N)=NC23CCCC3)cc1 203702 IJGFJERBVMWCDY-UHFFFAOYSA-N 273.340 1.415 0 50 CDAA biogenic O=C(Nc1nnc(-c2ccncc2)s1)[C@H]1CCCO1 1056192 TVKQNDWESSIEFC-SECBINFHSA-N 276.321 1.718 0 50 CDAA CCOC(=O)CNC(=O)Nc1ccc(OC)cc1 1754077 JRJCSSTYBGRSDC-UHFFFAOYSA-N 252.270 1.380 0 50 CDAA CCOC(=O)Cc1ccc(CC(=O)OCC)cc1 1871911 JRSOAUOHTHOAOP-UHFFFAOYSA-N 250.294 1.898 0 50 CDAA in-vitro CCc1nc(C)c(CN2CCC[C@@]23CCCN(C)C3=O)[nH]1 2356140140 VWEDMBVVGUAHTK-MRXNPFEDSA-N 290.411 1.867 0 50 CDAA Cc1nnc(C(=O)NCC2CCN(C(=O)C(C)C)CC2)o1 2356164007 ALPKWQSVAXHNSP-UHFFFAOYSA-N 294.355 1.002 0 50 CDAA Cc1nn(-c2nn[nH]n2)c(C)c1-c1ccc(CCN)cc1 2356168106 PURNIPCEMXXBNY-UHFFFAOYSA-N 283.339 1.170 0 50 CDAA Cc1nc(NC(=O)[C@H](c2cccc(F)c2)N(C)C)no1 2356170225 ZBCPDCGWFTXXJC-NSHDSACASA-N 278.287 1.759 0 50 CDAA O=C(NC[C@H]1COCCO1)c1ccccc1C(F)(F)F 55845619 GFJCKSQJXABXBV-VIFPVBQESA-N 289.253 1.851 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1CCCC[C@H]1Cn1cncn1 247716969 OAGOCZXXCOBZNR-GJZGRUSLSA-N 299.378 1.359 0 50 CDAA COc1cc(N(C)CCC[C@H]2CCCO2)ncn1 65464356 GAQBCBJDFVKIKX-NSHDSACASA-N 251.330 1.881 0 50 CDAA O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 100144206 JNHBKFAZBKSPLV-IATRGZMQSA-N 285.299 1.053 0 50 CDAA biogenic NC(=O)c1ccnc(N2CCC[C@@H](c3ccn[nH]3)C2)c1 67491171 ZNRLHNIPXLBESP-LLVKDONJSA-N 271.324 1.288 0 50 CDAA Cc1cncc(=O)n1Cc1ccn(-c2ccccc2F)n1 348119800 YTHRWRFHKNSMIG-UHFFFAOYSA-N 284.294 1.925 0 50 CDAA CC(C)N1CCC(CN2CCN3CCN(C)C[C@@H]3C2)CC1 65387803 ZUWMMWASXDKCJA-QGZVFWFLSA-N 294.487 1.038 0 50 CDAA CC(=O)C(=O)N1CCc2onc(-c3ccccc3F)c2C1 67457702 APYCCLDYJWUZIS-UHFFFAOYSA-N 288.278 1.954 0 50 CDAA Cc1cccc(OC2CN(CCn3ccnc3)C2)c1 1506415339 XKMVFVJBUNXTAX-UHFFFAOYSA-N 257.337 1.955 0 50 CDAA CN1CCC(C)(C(=O)NCCC[C@@H]2CCOC2)CC1 67679158 ORUUWQSYUINWSE-CYBMUJFWSA-N 268.401 1.651 0 50 CDAA Cc1ccc2nc([C@H](NC(CO)CO)C(C)C)[nH]c2c1 67604476 ZRPXRRIIHNQBIM-CQSZACIVSA-N 277.368 1.511 0 50 CDAA CCCN(C(=O)C(=O)Nc1nncs1)C1CCCC1 67935044 GOJYQVGTIHSWBC-UHFFFAOYSA-N 282.369 1.658 0 50 CDAA CN(Cc1ccccc1C(F)(F)F)C[C@H](O)CO 65380944 QSUARHPRHZGSPS-JTQLQIEISA-N 263.259 1.490 0 50 CDAA Cc1nc(-c2ccc(NC(=O)c3nccnc3N)cc2)n[nH]1 358981304 PMXALWSLRJGPQL-UHFFFAOYSA-N 295.306 1.405 0 50 CDAA COCc1c(C(=O)N2CCC[C@@]3(CCNC3)C2)noc1C 67821686 UPLMOGKWULHUOL-HNNXBMFYSA-N 293.367 1.345 0 50 CDAA O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnn[nH]1 123884157 SJRNDALXFNPWBC-UHFFFAOYSA-N 287.201 1.280 0 50 CDAA Cn1nccc1COCC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 284163645 KACVUHVFQLHUBD-TZMCWYRMSA-N 293.367 1.011 0 50 CDAA CO[C@](C)(C(=O)N1CCC(c2cnc[nH]2)CC1)C1CC1 329635113 UHKCGPMCYSCTNY-HNNXBMFYSA-N 277.368 1.931 0 50 CDAA C[C@H](c1nc(C2CC2)no1)N1CC(=O)N(C2CC2)C1 333282639 JVCZXDVHOIQWKG-MRVPVSSYSA-N 262.313 1.272 0 50 CDAA Cc1cc(C)n2nc(S[C@@H](C)CCCO)nc2n1 521394943 CJYJCLNGAOVCOM-JTQLQIEISA-N 266.370 1.994 0 50 CDAA Cn1ncnc1CCNc1ncnc2sccc12 301587401 WZNTVJZLKXGMGE-UHFFFAOYSA-N 260.326 1.474 0 50 CDAA CCn1nccc1CN[C@H](C)CN1CCCC1=O 125225623 OGBYNJWPVDFJGM-LLVKDONJSA-N 250.346 1.004 0 50 CDAA O=C1CCCN1C[C@@H]1CCCN(c2ccnc(CO)c2)C1 32517992 PGMHILJKKWFNLR-CYBMUJFWSA-N 289.379 1.413 0 50 CDAA CCOCC[C@H](O)CN1CCC(c2c[nH]nc2C)CC1 366943759 MOGRXHXCOMAGQW-AWEZNQCLSA-N 281.400 1.685 0 50 CDAA CCc1nccc(CN2CCC[C@H](CS(C)(=O)=O)C2)n1 216234178 BJQKIRZDIRTAAM-LBPRGKRZSA-N 297.424 1.296 0 50 CDAA CC(C)Oc1nccnc1N1CC[C@](O)(C2CC2)C1 368468359 DOAQQIAQUPGWPP-CQSZACIVSA-N 263.341 1.615 0 50 CDAA c1ncn(CCCc2nn3c(C4CC4)nnc3s2)n1 71765198 QAAYCCSKNYUSGF-UHFFFAOYSA-N 275.341 1.288 0 50 CDAA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1)c1ccon1 219505958 SRLSXOXNEVVBNS-YXCITZCRSA-N 291.351 1.046 0 50 CDAA CNC(=O)NCCc1nc(-c2ccc(F)c(C)c2)no1 241371383 MNDNOWXMJOSFBI-UHFFFAOYSA-N 278.287 1.656 0 50 CDAA CC(=O)c1ccc(NC(=O)NCCc2nnc(N)o2)cc1 241738559 QYOMUFASAAQUMH-UHFFFAOYSA-N 289.295 1.219 0 50 CDAA O=C(c1cc[nH]c1C1CC1)N1CC(F)(F)C[C@@H]1CO 376101675 IQTYLHLVDQPMLV-SECBINFHSA-N 270.279 1.734 0 50 CDAA CCc1cnc(N2CCC(CCOC)(C(=O)O)CC2)nc1 71774882 KKANWWXJHNBYKW-UHFFFAOYSA-N 293.367 1.747 0 50 CDAA COc1csc(C(=O)N[C@H](C(=O)O)[C@@H]2CCCOC2)c1 262803056 OCKBQKDZMFEUGY-KCJUWKMLSA-N 299.348 1.366 0 50 CDAA CC[C@H](NC(=O)c1ccc(CO)o1)c1ncc(C)[nH]1 216430635 UZECRCRNGNMKNJ-JTQLQIEISA-N 263.297 1.685 0 50 CDAA COCc1ncsc1C(=O)N1CCc2ccncc21 285599833 LOSHWXOKOJUNKM-UHFFFAOYSA-N 275.333 1.887 0 50 CDAA COc1cc(Cl)ccc1CN1CCC[C@](O)(C(N)=O)C1 225481096 LAUQLMCQYBLINH-CQSZACIVSA-N 298.770 1.161 0 50 CDAA N[C@@H]1CCN(CCCCOCc2ccccc2)C[C@H]1O 82107026 GVUGHIPGFNURCH-HZPDHXFCSA-N 278.396 1.377 0 50 CDAA O=C(NC1CCN(C2CCCC2)CC1)c1ccc(O)nc1 177446097 XZUITGMOONNQQT-UHFFFAOYSA-N 289.379 1.924 0 50 CDAA CNC(=O)Cn1cnc2c(C(F)(F)F)cccc2c1=O 42992824 CIFKQHQNUBOGTG-UHFFFAOYSA-N 285.225 1.161 0 50 CDAA c1ccc(Cn2nncc2CNC[C@H]2CCCCO2)cc1 291981665 RZUPOMLOMBXQQZ-MRXNPFEDSA-N 286.379 1.985 0 50 CDAA COCC(=O)N1CC(=O)N(c2cccc(Cl)c2)C[C@H]1C 82086837 IEYHHSVYHDDTEV-SNVBAGLBSA-N 296.754 1.550 0 50 CDAA CCc1noc(CNC(=O)N(CCOC)CC2CC2)n1 426406377 ZNTAJDSMOMRBRD-UHFFFAOYSA-N 282.344 1.200 0 50 CDAA CC(C)n1cnnc1CN(C)C(=O)CCc1cccnc1 82147035 QDCMPJUYNVDXOS-UHFFFAOYSA-N 287.367 1.845 0 50 CDAA Cn1cc(CNc2ncnc3c2ncn3C2CC2)cn1 292766776 OSYWWZDWOZKPCV-UHFFFAOYSA-N 269.312 1.507 0 50 CDAA Cc1nc(CCN(C)C(=O)c2onc3c2CCCC3)no1 426562845 GZBGLEAHXMFQCJ-UHFFFAOYSA-N 290.323 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285.351 1.384 0 50 CDAA Cc1cccc(C(=O)NCCn2c(C)nnc2S)c1C 170641391 AUKVPINQWZOTIY-UHFFFAOYSA-N 290.392 1.922 0 50 CDAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)Cn1cccn1 279324285 NBXQOMIDRDQENG-LLVKDONJSA-N 289.339 1.149 0 50 CDAA CCO[C@H]1C[C@@H](NCc2cncnc2OC)C12CCC2 647186367 KQGBJVMNQKTARV-OLZOCXBDSA-N 277.368 1.923 0 50 CDAA CC[C@@](C)(O)CN[C@@H]1CCN(c2ccccc2)C(=O)C1 193093663 BVQQAERQFDZAPU-CZUORRHYSA-N 276.380 1.933 0 50 CDAA Cc1cc(C)c(CC(=O)NC[C@@H]2CNCCCO2)c(C)c1 564826962 VQNQHVZTPHCTCD-HNNXBMFYSA-N 290.407 1.649 0 50 CDAA CN(CC[C@H]1CCCCN1C)C(=O)C1(C(=O)O)CC=CC1 663061383 GZGKWZICYXCJLJ-CYBMUJFWSA-N 294.395 1.740 0 50 CDAA CCN(C(=O)N1CCC[C@@H](CN2CC[C@H](O)C2)C1)C(C)C 585139411 WMPGBSNRVZNQOT-GJZGRUSLSA-N 297.443 1.615 0 50 CDAA CS(=O)(=O)CCC(=O)Nc1cccc(-c2cnc[nH]2)c1 1506408489 YLEICYYAOUVFGP-UHFFFAOYSA-N 293.348 1.450 0 50 CDAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)c1nc(C(=O)O)co1 1529186109 VUCJOWJZLJPTKW-SECBINFHSA-N 295.339 1.456 0 50 CDAA Cc1cnn(C2CCCC2)c1NC(=O)[C@@H]1CCC(=O)N1 1529197287 NKQVMONISIEKSF-NSHDSACASA-N 276.340 1.524 0 50 CDAA O=C(O)CN1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529166882 CBOFXQHQAMNIJN-UONOGXRCSA-N 261.321 1.923 0 50 CDAA Nc1ncc(C(=O)N[C@H]2CC[C@H](N)C2)c(-c2ccccc2)n1 211525965 HEHBQSQRZNHTJA-RYUDHWBXSA-N 297.362 1.335 0 50 CDAA CC1=CC2(CCN(C(=O)c3c[nH]c(=O)cn3)CC2)OCC1 1704340097 UHUIXMSAPVJIHF-UHFFFAOYSA-N 289.335 1.111 0 50 CDAA CN1CCC[C@]2(C(=O)O)CCN(C(=O)c3ccc[nH]3)C[C@@H]12 1704315696 UAHOYTAHUJNZIM-DOMZBBRYSA-N 291.351 1.026 0 50 CDAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CCS(C)(=O)=O 332423052 SVMKMNPUMMLYFS-NSHDSACASA-N 299.396 1.125 0 50 CDAA COc1ccc(S(=O)(=O)Nc2nncs2)c(F)c1 241897320 TXQWFMPXHFUGEU-UHFFFAOYSA-N 289.313 1.487 0 50 CDAA Cc1nc(C)c(S(=O)(=O)N[C@H](C(=O)O)C(C)C)s1 261731651 SMPKXHUBPKCIDX-QMMMGPOBSA-N 292.382 1.147 0 50 CDAA Cc1cc(O)nc(CN(C)Cc2cc(C(=O)O)c(C)o2)n1 1615053330 OFDHJGBGVOENTI-UHFFFAOYSA-N 291.307 1.722 0 50 CDAA COc1ccc(CN2C[C@@H]3COCC[C@]3(CO)C2)cc1F 1772701250 KAMZNMBDVHAIMQ-CZUORRHYSA-N 295.354 1.665 0 50 CDAA CS[C@]1(NC#N)NCCc2c1[nH]c1ccccc21 12899257 GMZYYHOFNRVXIZ-ZDUSSCGKSA-N 258.350 1.858 0 50 CDAA biogenic Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)O)CC3=O)c2c1 13944181 JNXUSNBLYPRWCT-LBPRGKRZSA-N 286.331 1.952 0 50 CDAA O=C(Nc1ccccn1)[C@@H]1CCCN(Cc2ncc[nH]2)C1 361005201 STRSGTLCPYHWMH-GFCCVEGCSA-N 285.351 1.655 0 50 CDAA CNCCc1ccccc1C(=O)N[C@@H]1CCCc2c[nH]nc21 423187306 MILAYWMVBNDILE-OAHLLOKOSA-N 298.390 1.979 0 50 CDAA Cc1cc(=N)[nH]cc1-c1cnc(N2CCC[C@H](O)C2)nc1 629759055 HGURNZZFHUNLJA-LBPRGKRZSA-N 285.351 1.221 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@@H]1C[C@H]1C1CC1 328633616 SQHWZTTTZGTLMV-KWCYVHTRSA-N 273.380 1.950 0 50 CDAA NC[C@H]1CN(Cc2cccc3c2CCOC3)CCCO1 631828526 RCMOOKGRZIXLIG-HNNXBMFYSA-N 276.380 1.309 0 50 CDAA CC(C)OCCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 236787776 VLFMYMQHLVTDPO-CQSZACIVSA-N 291.347 1.840 0 50 CDAA CCN(C(=O)c1cnc2ccccc2c1C)[C@H]1CCNC1=O 334750404 XAWQAMAZQRXTLD-HNNXBMFYSA-N 297.358 1.894 0 50 CDAA CO[C@H]1CCN(c2nc(N(C)C)c3ccccc3n2)C1 450370457 YKXYGOXIXPVKPJ-NSHDSACASA-N 272.352 1.921 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCC[C@@]1(C)CO 252508116 XDEAYJDZUPUFAD-OCCSQVGLSA-N 265.357 1.236 0 50 CDAA O=C(c1cccc2nc(CO)[nH]c12)N1C[C@H]2CC[C@H]1C2 906366811 LKAVHECKQCEWDA-UWVGGRQHSA-N 271.320 1.680 0 50 CDAA C[C@H](C(=O)N1CCc2ncccc21)c1cnccn1 907069179 KDCXBVLGJYBGES-JTQLQIEISA-N 254.293 1.564 0 50 CDAA CC(C)(CO)NC[C@@H](O)COc1ccc2ccccc2c1 916627659 JRLJYJWZTHWYJR-OAHLLOKOSA-N 289.375 1.940 0 50 CDAA Cc1c(O)cccc1C(=O)N[C@@H]1CCCN(C)C1=O 225527299 GTPCXRUDUFRCQK-LLVKDONJSA-N 262.309 1.051 0 50 CDAA O=C(CNC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 4832390 YWYRAZWWRIPHKJ-LBPRGKRZSA-N 296.754 1.365 0 50 CDAA C[C@]1(CNC(=O)c2ccc(C(=O)O)cc2)CCOC1 262277753 IHEZZXHQOJSLJY-CQSZACIVSA-N 263.293 1.541 0 50 CDAA CC[C@@H](O)CN1CCN(Cc2cnc(Cl)s2)CC1 175448082 VYLRUDDFCASTNR-SNVBAGLBSA-N 289.832 1.685 0 50 CDAA CC(C)Cc1noc(CN(C)C[C@@H]2CCOC2)n1 65373676 NLYWKJCESSORGB-NSHDSACASA-N 253.346 1.736 0 50 CDAA CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccns2)C1 404273478 MDWLWJHWGAYBSA-MWLCHTKSSA-N 274.411 1.589 0 50 CDAA C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1ncc[nH]1 311543478 HKWCFTFEUDLYIG-SECBINFHSA-N 283.328 1.931 0 50 CDAA Cn1ccnc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 335917909 SGSWZDYQBYBEDH-UONOGXRCSA-N 275.327 1.867 0 50 CDAA CC(C)NC(=O)C(=O)NCCc1ccc(Cl)cc1 2992991 DOCPFYZRWRPAFV-UHFFFAOYSA-N 268.744 1.523 0 50 CDAA CCc1ccccc1-c1nc(N2CCOCC2)n[nH]1 2100482753 WRJMGWBDLDYEST-UHFFFAOYSA-N 258.325 1.871 0 50 CDAA Cc1coc(N2CCC[C@H](c3nnc4n3CCC4)C2)n1 2325723697 ALLQEHBBQOUYIC-NSHDSACASA-N 273.340 1.905 0 50 CDAA Cc1nocc1NC(=O)N=c1nc(C2CC2)[nH]s1 2325761822 LFKHRTIPUFKAEH-UHFFFAOYSA-N 265.298 1.778 0 50 CDAA Cc1ccc(-c2noc(=NCCO[C@@H]3CCNC3)[nH]2)cc1 2325787111 BUYSGLSMUARWDO-CYBMUJFWSA-N 288.351 1.257 0 50 CDAA C=CC(=O)NCCc1cc(F)cc2c1OCOC2 888093208 AIYUMOUVTHDMOR-UHFFFAOYSA-N 251.257 1.537 0 50 CDAA O=C(Cc1ccc(F)cc1F)NC1(CO)CCOCC1 230908808 ADHFGQABRIOEOA-UHFFFAOYSA-N 285.290 1.165 0 50 CDAA Cc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 295730 LJSBGGIQWUCTIW-UHFFFAOYSA-N 255.339 1.324 0 50 CDAA COc1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1 874828 RSKLWIXTGFLDDB-UHFFFAOYSA-N 292.360 1.756 0 50 CDAA O=C(NCCO)C(=O)Nc1cccc(Cl)c1Cl 2341420 QAOBNFHAEXKSBD-UHFFFAOYSA-N 277.107 1.040 0 50 CDAA Cc1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1 2443918 PEEHBWYIPVRVTB-LLVKDONJSA-N 264.350 1.555 0 50 CDAA O[C@H]1CCN(c2nccn3c(-c4ccncc4)cnc23)C1 2356158962 GFQHSEPSHOISII-LBPRGKRZSA-N 281.319 1.362 0 50 CDAA NS(=O)(=O)c1cccc(NC(=O)c2cccs2)c1 4325114 QVYYQCLYIDVQMK-UHFFFAOYSA-N 282.346 1.648 0 50 CDAA CC[C@H](C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100662892 CNEROCIJVBUEDD-VIFPVBQESA-N 286.331 1.792 0 50 CDAA biogenic O=C(CCCc1c[nH]c2ccccc12)N1CCNCC1 9531971 AZLTWNYZOFEENN-UHFFFAOYSA-N 271.364 1.922 0 50 CDAA FC(F)(F)[C@]1(c2nc(-c3ccccn3)no2)CCNC1 111240724 OFKVXWJVHOBEGA-LLVKDONJSA-N 284.241 1.925 0 50 CDAA CCOc1ccc2c(c1)C1=C(NC(=S)N2)C(=O)OC1 101684388 QKKMOPJAPPWQSG-UHFFFAOYSA-N 276.317 1.653 0 50 CDAA CC(C)[C@@H](CP(=O)(O)O)NC(=O)Cc1ccccc1 22554010 GKCHZVCHJUBQIW-GFCCVEGCSA-N 285.280 1.548 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccccc2)[C@H]2C=C[C@H]1C2 100651742 QCXUJIJIBRKJBL-XUXIUFHCSA-N 271.316 1.826 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)n(C)n1 136121618 BYJMMXKSNBXRRJ-SNVBAGLBSA-N 279.340 1.480 0 50 CDAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc2c1OCC2 67588481 RXLULFAFLVRVEC-CYBMUJFWSA-N 288.347 1.314 0 50 CDAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccnc(C(C)C)n1 65382273 SBRWUHPRDXSRAJ-QWHCGFSZSA-N 293.367 1.098 0 50 CDAA O=C(c1ccc(Cl)nn1)N1CCS[C@H]2COCC[C@@H]21 252508285 XJGJEABVKNGFOB-UWVGGRQHSA-N 299.783 1.477 0 50 CDAA O=c1c(-c2cccs2)[n+]([O-])c2ccccc2n1O 102125 HJKRGWDIBFUJHB-UHFFFAOYSA-N 260.274 1.601 0 50 CDAA CCN(CCN1CCOCC1)Cc1sc(C)nc1C 67742844 IBCCRYGKLROVDH-UHFFFAOYSA-N 283.441 1.914 0 50 CDAA Cc1cnn(C)c1S(=O)(=O)Nc1ccc2c(c1)COC2 329008744 NWBZPVGGKZRJCQ-UHFFFAOYSA-N 293.348 1.560 0 50 CDAA Cc1cccc(CN2CCCN(CCCN)CC2)c1 37038104 ZROSKQRSATUSPG-UHFFFAOYSA-N 261.413 1.852 0 50 CDAA CCOC1CC(N(C)C(=O)C[C@@H]2CCCC(O)=N2)C1 329757313 MUXPOAQNFCJHHS-UNXYVOJBSA-N 268.357 1.911 0 50 CDAA Cn1nncc1CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 331699038 ZPJIVXOBISCHSG-KGLIPLIRSA-N 276.315 1.262 0 50 CDAA CCn1cc(C2CCN(C(=O)[C@@H]3CC[C@@H](N)C3)CC2)cn1 237017231 VLHJKMRFXJFZEF-UKRRQHHQSA-N 290.411 1.736 0 50 CDAA CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@H](N)C1 237016388 NPRDVLYEYKWFPJ-PWSUYJOCSA-N 266.316 1.543 0 50 CDAA CC[C@H]1CN(c2nc(O)c3c[nH]nc3n2)C[C@@H](CC)O1 333491299 DKDXXYVHFFFWLY-DTORHVGOSA-N 277.328 1.452 0 50 CDAA c1cn([C@H]2CCCN(CCO[C@H]3CCCCO3)C2)nn1 333436885 VNZRAFKVHKHHCI-KBPBESRZSA-N 280.372 1.458 0 50 CDAA COC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C 34606135 OOVXDDGVDXJGQX-MRVPVSSYSA-N 263.359 1.806 0 50 CDAA Cc1noc(C)c1CN[C@@H]1CCN(c2ccn(C)n2)C1 378471202 HCPCJBCRMXKIBM-GFCCVEGCSA-N 275.356 1.393 0 50 CDAA Cc1nc(NC(=O)N[C@@H](C)CO)ccc1Br 128750634 BXDPCXRDBROGQJ-LURJTMIESA-N 288.145 1.655 0 50 CDAA O=S(=O)(N[C@H]1COCc2ccccc21)C1CC1 333916604 NIKHCHDIVJGGME-LBPRGKRZSA-N 253.323 1.340 0 50 CDAA Cn1sc(=O)n(-c2ccc(Cl)cc2F)c1=O 71780419 JHFWHKCCJDFRGG-UHFFFAOYSA-N 260.677 1.390 0 50 CDAA Cc1csc(CCNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)n1 75716270 ZCGRUVYBXHRTCI-SNVBAGLBSA-N 293.392 1.121 0 50 CDAA O=C(Cn1ncc2ccccc21)N1CC(F)(F)C[C@H]1CO 372504566 LGUWUOTWSBASMN-NSHDSACASA-N 295.289 1.265 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 262227744 MMLKLWAGUIKIHH-ZDUSSCGKSA-N 294.326 1.381 0 50 CDAA Cc1cc(NS(C)(=O)=O)cnc1N1CCCCC1 130313392 YDQJKZPXAGKPIE-UHFFFAOYSA-N 269.370 1.752 0 50 CDAA O=C(O)C[C@@H]1CCCN1C(=O)C[C@H](O)c1cccc(F)c1 262835095 BPZNPNZYUXLKBK-STQMWFEESA-N 295.310 1.715 0 50 CDAA CCN(CC)CCn1c(S(=O)(=O)O)nc2ccccc21 220968496 QGSGWYPLJNEPKB-UHFFFAOYSA-N 297.380 1.625 0 50 CDAA C[C@@H]1OCCN(C(=O)NCc2ccc(C(=O)O)cc2)[C@H]1C 263338526 OFBIZHMUZHXRQP-QWRGUYRKSA-N 292.335 1.704 0 50 CDAA Cc1ccccc1CCNC(=O)N[C@@H]1CC12CCNCC2 612964768 TUOMCPRCGXETMD-OAHLLOKOSA-N 287.407 1.979 0 50 CDAA CC[C@H](OC)C(=O)NCc1cccc(C(=O)N(C)C)c1 49448052 MMFCVBHDLGIETB-ZDUSSCGKSA-N 278.352 1.430 0 50 CDAA Cc1nccn1[C@H](C)C(=O)N1CCC2(CCO2)CC1 426399263 RAVLHGLNNNZZRY-LLVKDONJSA-N 263.341 1.534 0 50 CDAA O=C(NCCSc1ncn[nH]1)c1ncc(F)cc1F 223007073 BEUXHAPQZBDOFW-UHFFFAOYSA-N 285.279 1.000 0 50 CDAA Cc1cc(C(=O)NCc2snnc2C)ns1 292158093 SVNXUCFYIQPCIZ-UHFFFAOYSA-N 254.340 1.541 0 50 CDAA O=C(NCC(=O)N1CCCC1)Nc1ccc(Cl)nc1 49207069 VPYJIEKVADRITC-UHFFFAOYSA-N 282.731 1.479 0 50 CDAA O=S(=O)(NCCO)c1ccc(Cl)cc1Cl 41096067 JCKLCIXNOMGHSA-UHFFFAOYSA-N 270.137 1.264 0 50 CDAA CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1CSCN1 161951514 RFBQGZNAUDUUFJ-KBPBESRZSA-N 294.420 1.539 0 50 CDAA CO[C@H](C)CCC(=O)Nc1ccc2oc(=O)[nH]c2c1 181100211 STNKQXNQHOJRGU-MRVPVSSYSA-N 264.281 1.875 0 50 CDAA CCCC[C@@H](NC(=O)c1cc(CC(C)C)nn1C)C(=O)O 95497570 GZWXGCCAMQKFMS-GFCCVEGCSA-N 295.383 1.992 0 50 CDAA C[C@@H]1CN(C(=O)CCN2CCCCC2=O)C[C@@]1(O)C1CC1 91644230 NCRPMYASHALJGB-WBMJQRKESA-N 294.395 1.008 0 50 CDAA COC(=O)[C@@H]1[C@H]2C=C[C@H]3[C@H](C(=O)OC)[C@H]4C=C[C@@H]1[C@@H]4[C@H]23 247655339 OWWNLADWOGGFSI-RBPFXPOJSA-N 274.316 1.429 0 50 CDAA COCC1(CNC(=O)CCn2cc(C)cn2)CCCC1 244574870 CSTBAKRECURJFF-UHFFFAOYSA-N 279.384 1.905 0 50 CDAA CCCO[C@H]1CCCN(C(=O)c2cnc(C)nc2O)C1 1506415517 YMXRFLIBXBTTPT-NSHDSACASA-N 279.340 1.522 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CCC(OC[C@H]2CCCO2)CC1 299740393 ZFYPPXWUOYXYDQ-QLFBSQMISA-N 296.411 1.300 0 50 CDAA O=C(C[C@@H]1CCOC1)N[C@H](C(=O)O)c1ccccc1 299752724 VEHICGJFZIBILT-GWCFXTLKSA-N 263.293 1.355 0 50 CDAA CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N(C)C 534634709 BRQPFJWENFQBAS-GFCCVEGCSA-N 292.335 1.227 0 50 CDAA C[C@@H](CN1CCCCCC1)NCCc1ncc[nH]1 534588326 SFQOKZROCFMZAY-ZDUSSCGKSA-N 250.390 1.806 0 50 CDAA CC[C@H](NS(=O)(=O)N1CCCC1)c1ncccc1C 534667449 SGGIFBCVPFMLGW-LBPRGKRZSA-N 283.397 1.771 0 50 CDAA CN1CCC[C@@H](C(=O)N=c2cc(C3CCC3)[nH][nH]2)C1 1940196216 SJADKJSOPCSVBQ-LLVKDONJSA-N 262.357 1.379 0 50 CDAA Cc1ncccc1CCNC(=O)[C@]12CCC[C@H]1NCC2 1775769683 ITXKGGNYYKOHAJ-ZBFHGGJFSA-N 273.380 1.581 0 50 CDAA CCc1nc(C)sc1C(=O)N1CCCC[C@H]1C(=O)NC 299760831 ROPUNRACCOSUTK-NSHDSACASA-N 295.408 1.755 0 50 CDAA c1coc(CCCN2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 299794969 LMJHCUQZFMOZRW-GJZGRUSLSA-N 288.351 1.650 0 50 CDAA COC(=O)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 575441137 GKQBWYZBSWSEMI-UHFFFAOYSA-N 255.314 1.997 0 50 CDAA CCC[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 823004235 DONHEIPANNOHOZ-KGLIPLIRSA-N 285.347 1.494 0 50 CDAA CN1C(=O)CCC12CCN(CCc1nccn1C)CC2 828256284 NRILOIRABOYIEA-UHFFFAOYSA-N 276.384 1.049 0 50 CDAA CCn1nc(C)c([C@@H](C)NC(=O)Cn2cccn2)c1C 584890835 PVNBUDKTZOPFTR-SNVBAGLBSA-N 275.356 1.594 0 50 CDAA Cc1nc(CN2CCC([C@@H](C)CO)CC2)n(C)c1C 584891455 XFQGTJPEOSRWDJ-NSHDSACASA-N 265.401 1.877 0 50 CDAA CSCCC(=O)N1C[C@H]2CCC[C@@H](C1)N(C)C2 670447700 JQLBMIKCTFJAJC-RYUDHWBXSA-N 256.415 1.682 0 50 CDAA COc1cc(F)c(C(=O)N2CC[C@@H](C(=O)O)C2)cc1OC 269204446 SUPKDVYJAAJPQV-MRVPVSSYSA-N 297.282 1.390 0 50 CDAA CC[C@H](NC(=O)C(C)(C)N1CCOCC1)c1ncc(C)[nH]1 670445995 KOFKCRVQHXVKJI-LBPRGKRZSA-N 294.399 1.396 0 50 CDAA Cc1nnc(CN2CCC3(CCNC(=O)CC3)CC2)s1 670461244 CHPULGXWRGLJTG-UHFFFAOYSA-N 294.424 1.729 0 50 CDAA CCSC[C@H](C)NC1CCN(S(C)(=O)=O)CC1 67770212 QQZVKYCKQVEGTC-JTQLQIEISA-N 280.459 1.142 0 50 CDAA COc1ccc2c(c1)CN(C(=O)NC1CC3(C1)C[C@@H]3N)C2 1551575801 MXWOWQIBXSWWTJ-UGWHAMFMSA-N 287.363 1.600 0 50 CDAA C=CC(=O)N1CC(c2ccc(Br)cn2)C1 1875389042 ZOSBHFRXUWPLRA-UHFFFAOYSA-N 267.126 1.956 0 50 CDAA CN(Cc1ncn(C)n1)C(=O)c1c[nH]nc1-c1ccoc1 1875345092 RUCDEPVBHZMLMW-UHFFFAOYSA-N 286.295 1.070 0 50 CDAA Cc1c(C(=O)N2C[C@H]3C[C@@H]3C2)cccc1-c1nc(=O)o[nH]1 1875324739 LJUDFSQVTIURPS-NXEZZACHSA-N 285.303 1.430 0 50 CDAA C[C@@H]1C[C@@](C(=O)O)(n2ncc(C(F)(F)F)n2)CCO1 1875305286 OPNSOEVGOAMCNR-MUWHJKNJSA-N 279.218 1.276 0 50 CDAA O=C(C1CC=CC1)N1CCCN(C(=O)[C@H]2CC23CC3)CC1 940577890 WETXEEBLVZJXHH-CQSZACIVSA-N 288.391 1.814 0 50 CDAA C[C@@H](O)c1nc2ccc(NC(=O)C(C)(C)N)cc2[nH]1 952985690 CJVUJEJQQLVDFR-SSDOTTSWSA-N 262.313 1.292 0 50 CDAA Cc1noc2ncnc(N3CCC[C@H](n4ccnn4)CC3)c12 895105103 OHNSBOLWHYZCSM-NSHDSACASA-N 299.338 1.749 0 50 CDAA Cn1cnnc1[C@H]1CCCN1Cc1cnn(C)c1C1CC1 892150313 KNYAPOPZLZLOTF-CYBMUJFWSA-N 286.383 1.763 0 50 CDAA CC(C)[C@@H](N=c1ncnc2[nH][nH]cc1-2)c1cnn(C)c1 896428818 LYDCSQLTUZEBTE-LLVKDONJSA-N 271.328 1.269 0 50 CDAA CNC1(CNC(=O)c2cc(-c3cccnc3)nn2C)CCC1 899151223 VMHUSHCWZRLUOE-UHFFFAOYSA-N 299.378 1.354 0 50 CDAA CCNC(=O)CNC(=O)c1c(Cl)ccc2c[nH]nc12 1775989834 SSAOABWULPXNBW-UHFFFAOYSA-N 280.715 1.082 0 50 CDAA CC1(C)CN(C(=O)C[C@H]2CCCO2)Cc2c[nH]nc21 1775987603 HSPSGGHIBMKDPO-LLVKDONJSA-N 263.341 1.599 0 50 CDAA Cc1c(C(=O)O)cccc1N(C)C(=O)[C@@H]1CCOC1 1775998363 XHOIUOMRRIZYJK-SNVBAGLBSA-N 263.293 1.693 0 50 CDAA Cn1ncc(C2CC2)c1CNC(=O)[C@H]1C[C@@H]2C[C@H](N)[C@@H]2C1 1775960796 QIRBPRCYCDYYLE-CZXHOFHRSA-N 288.395 1.287 0 50 CDAA O=C(c1cc(O)nc2ncccc12)N1CC[C@@H](F)C1 1776006212 ORKXOAMYTUIPIA-MRVPVSSYSA-N 261.256 1.519 0 50 CDAA CCN(C(=O)Nc1ccc(F)cc1OC)[C@@H]1COC[C@H]1O 1776006853 XKYFUOCIXCMRPK-VXGBXAGGSA-N 298.314 1.448 0 50 CDAA CSCCCN1CC[C@H](Nc2ncccn2)[C@@H](O)C1 1565507429 QVVNUOROTJIEJB-RYUDHWBXSA-N 282.413 1.077 0 50 CDAA O=C(NC[C@H]1CCc2nccn2C1)c1ccncc1Cl 276234829 KGFGCFZRTUJMLK-SNVBAGLBSA-N 290.754 1.924 0 50 CDAA COCCN1CCCN(C(=O)c2ccc(C)s2)CC1=O 170605355 YPOBLWXWKMWZAL-UHFFFAOYSA-N 296.392 1.377 0 50 CDAA COCCN(CC(=O)O)Cc1c(F)cccc1[N+](=O)[O-] 170678195 HDGJSKQXYUXIDW-UHFFFAOYSA-N 286.259 1.267 0 50 CDAA Cc1nc2n(n1)C[C@H](NC(=O)Nc1nccs1)CC2 170720253 WXAMRKUZRUIMHB-MRVPVSSYSA-N 278.341 1.180 0 50 CDAA O=C(NCc1ccnc(-n2ccnc2)c1)c1cscn1 171291570 BWSBFMACDJZVCA-UHFFFAOYSA-N 285.332 1.654 0 50 CDAA O=C1C[C@@H](C(=O)N2CCC(c3ccsc3)CC2)CCN1 187989222 VRHFFIFRUSSHCQ-LBPRGKRZSA-N 292.404 1.980 0 50 CDAA C[C@@H]1C(=O)NCCCN1C(=O)c1ccn(C2CCCC2)n1 188945619 KLUITAKQQNUWMP-LLVKDONJSA-N 290.367 1.349 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCC(=O)CC12CCC2 585130557 UIFYUPSJVAYEII-UHFFFAOYSA-N 275.352 1.683 0 50 CDAA CN(C)[C@H]1C[C@@H](NC(=O)c2cccn2C)C12CCC2 585131559 ZJAMOXIKXNHAAF-OLZOCXBDSA-N 261.369 1.628 0 50 CDAA C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cn2)C(=O)O1 585119960 CGYSSYXZJCPLHK-XPUUQOCRSA-N 253.233 1.046 0 50 CDAA CC(C)(C)C(=O)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 733889733 KORPEZGSJMPLPF-LBPRGKRZSA-N 294.395 1.366 0 50 CDAA Cc1nnc([C@@H](C)OC(=O)c2cncc(F)c2)o1 759424281 ATKIEEACCUCELC-ZCFIWIBFSA-N 251.217 1.830 0 50 CDAA COCCC(=O)N1CCC[C@H](C(=O)CC(C)C)C1 1506413574 JABMFTSHFAZGNW-LBPRGKRZSA-N 255.358 1.877 0 50 CDAA Cc1ccn2c(NC(=O)Cc3c(C)noc3C)nnc2n1 1506403497 BVUKCPGFENQIEW-UHFFFAOYSA-N 286.295 1.219 0 50 CDAA CC(C)C(=O)N1CCC[C@H](Nc2cnc(C(=O)O)cn2)C1 1506423040 TZQVGRQNIQXWTC-JTQLQIEISA-N 292.339 1.234 0 50 CDAA CC(C)N(Cc1cnn(C)c1)C(=O)c1cncn1C 1506396144 GYFJQTJBPVEJCT-UHFFFAOYSA-N 261.329 1.204 0 50 CDAA CNC(=O)c1ccc(CNC2CSCCSC2)o1 1506409987 QFLJGIWRTRTDGU-UHFFFAOYSA-N 286.422 1.577 0 50 CDAA CC(C)CCC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1529167345 HCQZIYPCCBBSRV-TZMCWYRMSA-N 277.368 1.275 0 50 CDAA CN(C)C(=O)c1ccccc1I 270529 LIJKCLMUVWTDKS-UHFFFAOYSA-N 275.089 1.993 0 50 CDAA in-vitro CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1cccs1)C2 1704314897 XOTHJABOFADDJS-RYUDHWBXSA-N 280.393 1.080 0 50 CDAA CC(=O)c1cnc(NCCN2CCCC[C@@H]2CO)nc1C 1704335988 RXSDPZRJCWHACB-CYBMUJFWSA-N 292.383 1.246 0 50 CDAA CCN(CC)C(=O)N1CCN(c2ncncc2Cl)CC1 225534409 YWQFSKMTXMMSSM-UHFFFAOYSA-N 297.790 1.714 0 50 CDAA Cc1cc(NS(=O)(=O)N2CCCCCC2)no1 4511342 NIZNNUPOCUVGSB-UHFFFAOYSA-N 259.331 1.516 0 50 CDAA CNC(=O)c1cnn(-c2cccc(Cl)c2)c1N 1875345035 TVNNDQDFBGUPQC-UHFFFAOYSA-N 250.689 1.468 0 50 CDAA COC[C@@H]1CCCN1C(=O)c1cnn2ccc(N)cc12 1615549133 VHURZFSSGBJYFQ-NSHDSACASA-N 274.324 1.168 0 50 CDAA CN(CC(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1)Cc1ccccc1 1775983189 IMAKLPSLLHWRPZ-MUJYYYPQSA-N 288.391 1.348 0 50 CDAA Cc1ncc(CN(CCO)Cc2cc(C(C)(C)C)n[nH]2)[nH]1 1772704940 NUYNBECMBUNFCW-UHFFFAOYSA-N 291.399 1.733 0 50 CDAA CCCNS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 5234448 JGNVGYCSNNFNRX-UHFFFAOYSA-N 282.365 1.723 0 50 CDAA NCCc1c2c(c(Br)c3c1OCC3)OCC2 13757088 YZDFADGMVOSVIX-UHFFFAOYSA-N 284.153 1.820 0 50 CDAA in-vitro Cc1ccc(S(=O)(=O)n2cnc(C(=O)O)c2)cc1 16124218 KEHGFYXOUGMVJB-UHFFFAOYSA-N 266.278 1.127 0 50 CDAA Cc1ccccc1CS(=O)(=O)NC[C@H]1CCCO1 16578294 UGTAROKKIXIDTK-CYBMUJFWSA-N 269.366 1.593 0 50 CDAA COc1cc(CN2CCNCC2)cc(OC)c1OC 19781718 OVEVYSWOILUFMF-UHFFFAOYSA-N 266.341 1.118 0 50 CDAA in-vitro Cc1nonc1C(=O)N(C)Cc1ccc2c(c1)CN(C)C2 1857694374 NNNSDKQCLOQUNU-UHFFFAOYSA-N 286.335 1.596 0 50 CDAA Cc1c(C(=O)NCc2cnc3c(c2)CNCC3)ccn1C 1857703442 MIICAXRDUJDCDV-UHFFFAOYSA-N 284.363 1.304 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(OC)nc1 428297928 BBXXFSDEPYCZDK-OLZOCXBDSA-N 278.352 1.912 0 50 CDAA Cc1ccsc1CNC(=O)CN1CCC[C@@H]1C(=O)O 237770232 WAGBEFQXVBNFSJ-SNVBAGLBSA-N 282.365 1.222 0 50 CDAA CCNC(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 335479456 QJUXDBRKWCEHSN-NEPJUHHUSA-N 262.309 1.516 0 50 CDAA O=C(c1cnnc(-c2ccccc2)c1)N1C[C@@H](O)C2(CC2)C1 365673259 AFQXIDVFUYYTKP-OAHLLOKOSA-N 295.342 1.741 0 50 CDAA Cn1ccc(N2CC[C@@H](Nc3ncnc(N)c3Cl)C2)n1 366832846 YGUGMMIABOCJBN-MRVPVSSYSA-N 293.762 1.137 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccnn1C 267458252 QRCMDBATIOVXCQ-ZYHUDNBSSA-N 251.330 1.211 0 50 CDAA Cc1cccc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c1C 1704307512 IITQAVBSILXZGY-GJZGRUSLSA-N 288.391 1.706 0 50 CDAA O=C(C[C@@H]1C[C@H]1Cc1ccccc1)N1C[C@@H](O)C[C@@H](O)C1 933956564 ZHCGJZCPGIBLAY-QXSJWSMHSA-N 289.375 1.209 0 50 CDAA CCn1cc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)nn1 935003242 NSKWXSBZFXFPSA-CYBMUJFWSA-N 293.415 1.396 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC1CC=CC1 1122165187 XLDYJNDWGDHFRZ-KRWDZBQOSA-N 286.375 1.878 0 50 CDAA Cc1c(Cl)cccc1C(=O)N1CCOC[C@@H]1CC(=O)O 219563877 UZQMCDCGNZFBMG-JTQLQIEISA-N 297.738 1.964 0 50 CDAA CCOc1cc(C(=O)NCCCOC)ccc1OC 2869206 QVNYESBEBIGOJN-UHFFFAOYSA-N 267.325 1.860 0 50 CDAA COc1cc(NC(=O)[C@@H]2CC[C@H](C)O2)ccc1C(=O)O 227175640 JUVYOBQCLNVRHS-KWQFWETISA-N 279.292 1.899 0 50 CDAA C[C@H](C(=O)NC(N)=O)N1CCC[C@H]1c1ccsc1 252517928 VHDAOFYZGHRVBA-SCZZXKLOSA-N 267.354 1.468 0 50 CDAA O=C(Cc1c(F)cccc1Cl)NC[C@@]1(O)CCOC1 229676727 WZROOYMPBGEOLS-ZDUSSCGKSA-N 287.718 1.289 0 50 CDAA c1cnc(N2CCC[C@H](NCc3ccco3)C2)nc1 11710982 UHSWGXPLTREWQR-LBPRGKRZSA-N 258.325 1.828 0 50 CDAA Cc1ccc(OC[C@H](O)CN[C@H]2CCO[C@@H]2C)c(C)c1 32523770 YEGOIUNTNBMTEZ-KFWWJZLASA-N 279.380 1.810 0 50 CDAA CCOC(=O)[C@H](CC)N1CCC(c2cnn(C)c2)CC1 266510153 DETLGVLPBUCFHQ-AWEZNQCLSA-N 279.384 1.941 0 50 CDAA O=C(NCC1(C(=O)O)CCOCC1)c1ccncc1Cl 165938764 RETKPIZAMPUWHG-UHFFFAOYSA-N 298.726 1.346 0 50 CDAA O=C(c1ccnc(O)c1)N1CCC[C@@H]2COCC[C@H]21 328885993 ZKDCTEIBEBMTMO-VXGBXAGGSA-N 262.309 1.428 0 50 CDAA CC(=O)NCc1nnc(C2CC2)n1-c1ccccc1 2325781497 XCLRWMIQSOTQSU-UHFFFAOYSA-N 256.309 1.781 0 50 CDAA Cc1c[nH]nc1-c1ccc(N2C[C@H](CO)CC2=O)cc1 2325790511 RKCMWRBLHPRQFD-LLVKDONJSA-N 271.320 1.730 0 50 CDAA NCCN(Cc1ccccc1)C(=O)[C@@H]1CCCn2nccc21 884251110 VVOQPVNAHFFHSW-OAHLLOKOSA-N 298.390 1.748 0 50 CDAA CC(C)N1CCN(C(=O)c2ccc(F)cc2)CC1 115760 SBPOJPDKNKHHMR-UHFFFAOYSA-N 250.317 1.992 0 50 CDAA NC1=NC2(CCCCC2)N(c2ccccc2)C(N)=N1 273390 PAOQYQJSNZBMSM-UHFFFAOYSA-N 257.341 1.796 0 50 CDAA CCOC(=O)c1c(-n2cnnn2)sc2c1CCCC2 465373 XEMLMHRALIWOFQ-UHFFFAOYSA-N 278.337 1.779 0 50 CDAA O=C(O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 616491 YGGZZKSHIOWKII-UHFFFAOYSA-N 251.326 1.794 0 50 CDAA CN(C)CCCOC(=O)c1ccc2c(c1)OCO2 1819592 FZKYKLANNUIEKV-UHFFFAOYSA-N 251.282 1.524 0 50 CDAA CC(C)CNC(=O)CN(C1CCCCC1)S(C)(=O)=O 2179536 XXBXHIZBGAKJAP-UHFFFAOYSA-N 290.429 1.353 0 50 CDAA C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC(C)(C)CO 2454760 SZCFTMWKZRJHPE-VIFPVBQESA-N 298.770 1.345 0 50 CDAA O=C(NCc1ccccc1Cl)C1CCNCC1 2585088 LKNLSFOVSWDIEO-UHFFFAOYSA-N 252.745 1.956 0 50 CDAA COC(=O)c1ccccc1OC(=O)c1cc[n+]([O-])cc1 2905453 BHDIYYRPRBBPFC-UHFFFAOYSA-N 273.244 1.326 0 50 CDAA CCN1CCC[C@H]1CNC(=O)N(C)CCc1ccccn1 105777817 VQVUNSBETSGORA-HNNXBMFYSA-N 290.411 1.750 0 50 CDAA Cc1cc(O)c2n(Cc3ccc(Cl)cc3)nc[n+]2n1 8582849 YUPJTVJWTCJPMR-UHFFFAOYSA-O 275.719 1.733 0 50 CDAA CN(C)S(=O)(=O)Nc1cccc2cccnc12 8714284 BOVJBLBJAJZQKZ-UHFFFAOYSA-N 251.311 1.453 0 50 CDAA Cc1ccc(C)c(OCC(=O)N[C@H](C)CC(=O)O)c1C 55227569 HVCXBLRGOUGVIQ-LLVKDONJSA-N 279.336 1.970 0 50 CDAA CCOC(=O)[C@]1(C)CCN(C(=O)c2cccnc2S)C1 134996614 FVXZURFSHVZTLS-CQSZACIVSA-N 294.376 1.786 0 50 CDAA Cc1nc(NCCCN2CCOCC2)c2nc(C)oc2n1 55243105 DDTBPTLAQWEYAD-UHFFFAOYSA-N 291.355 1.369 0 50 CDAA CC(C)Cc1nc(CN(C)[C@@H]2CCCNC2)no1 67743419 GYTUIBSKLNOYSV-LLVKDONJSA-N 252.362 1.452 0 50 CDAA COc1ccc(-c2noc(CN3CCNCC3)n2)cc1 20268703 WIHPMMXMFPHDSG-UHFFFAOYSA-N 274.324 1.150 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)n[nH]1 249472227 HGXBCTLYOYRXGM-XSYNQRDESA-N 275.352 1.374 0 50 CDAA CNCC(=O)Nc1ccccc1OC[C@@H]1CCCO1 66225825 HADDCQRXLFTHMF-NSHDSACASA-N 264.325 1.402 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCS(=O)(=O)C1 408025061 NIJDHJMNAOGJEA-MROQNXINSA-N 285.409 1.601 0 50 CDAA C[C@H]1CNC(=O)CCN1Cc1ccc(Cl)nc1 67473426 VRRBQNMHPLJLOR-VIFPVBQESA-N 253.733 1.445 0 50 CDAA CC(C)c1nc(CN(C)C(=O)[C@@H]2CCOC2)no1 67673361 OVUIKUJPYWALKK-SECBINFHSA-N 253.302 1.188 0 50 CDAA C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CCCO1 171144436 MHSPGSPMKOYXJS-SNVBAGLBSA-N 287.319 1.174 0 50 CDAA 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O=C(O)CCCN1CCN(Cc2cccc(O)c2)CC1 125382783 LBKMJCHIRCKRTF-UHFFFAOYSA-N 278.352 1.375 0 50 CDAA C[C@@H](CNC(=O)[C@@H]1CCCN1C1CC1)Cn1cccn1 333016174 YMABJEKCHBUDFD-JSGCOSHPSA-N 276.384 1.262 0 50 CDAA Cc1cccc(O[C@H](C)C(=O)N2CCO[C@@H]([C@H](C)O)C2)c1 331355566 QUMMANFZQAIMKX-GZBFAFLISA-N 293.363 1.371 0 50 CDAA Cc1c(C(=O)N2C[C@@H](C)N[C@H](C)C2)cnn1C(C)(C)C 153205521 ZMYJLAUCCCUJQI-GHMZBOCLSA-N 278.400 1.769 0 50 CDAA COc1cc(C)nc(N2CC[C@](CO)(c3ccccc3)C2)n1 365770415 ZHOZCQGFIWXSQT-KRWDZBQOSA-N 299.374 1.934 0 50 CDAA CCn1nc(CO)c2c1CCN(Cc1c(C)noc1C)C2 215353600 KGJYQGWYNDGZFK-UHFFFAOYSA-N 290.367 1.558 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3CN)c2c1 237863744 FLEVKPLXZKLSBJ-JTQLQIEISA-N 258.325 1.435 0 50 CDAA Cn1cncc1CNC(=O)N1CCC[C@@H](N2CCCC2)C1 334589883 BDSKQEGIQQVOMG-CYBMUJFWSA-N 291.399 1.190 0 50 CDAA CCOC(=O)NC(=O)N[C@H](O)C(Cl)(Cl)Cl 214075468 HZAFRJRKNXIDOT-GSVOUGTGSA-N 279.507 1.131 0 50 CDAA CCN1CCC[C@H](N2CCC[C@@H](CCCO)C2)C1 32519452 IWFICYUSBZVCBY-GJZGRUSLSA-N 254.418 1.955 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256.265 1.402 0 50 CDAA COc1cccc(SCC(=O)NC[C@@H]2COCCO2)c1 55848017 KULBNPMOVQSCIO-GFCCVEGCSA-N 297.376 1.319 0 50 CDAA CCn1nc(C)c(CN[C@H](C)Cn2cncn2)c1C 65394548 JFKULWLHRMOCSP-SNVBAGLBSA-N 262.361 1.290 0 50 CDAA CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)C[C@@H]21 27643867 UMDQPEMZJHAFNL-FNLFQXNBSA-N 268.353 1.796 0 50 CDAA in-vitro O=C(O)[C@H]1CC(=O)N(CC2(N3CCCCC3)CCCC2)C1 65403558 HDTUZHOUKRPMKS-ZDUSSCGKSA-N 294.395 1.718 0 50 CDAA COC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 20220519 AGWWTNCBRTWBKA-VMPITWQZSA-N 274.364 1.490 0 50 CDAA CN(CC(=O)O)S(=O)(=O)Cc1ccccc1Cl 147345819 XMESEWYSCBDNIS-UHFFFAOYSA-N 277.729 1.186 0 50 CDAA Cc1c(CN2CCO[C@H](CN)C2)[nH]c2ccc(F)cc12 67559202 UQGAYEWVXOWPEK-GFCCVEGCSA-N 277.343 1.775 0 50 CDAA C[C@]1(NC(=O)CCN2C(=O)CCC2=O)CC=CCC1 331312067 CATAFPOEIUZXMS-AWEZNQCLSA-N 264.325 1.141 0 50 CDAA COCCOc1cccc(C(=O)N2C[C@H](C)N[C@H](C)C2)c1 153159238 COBLUCUFNQSCHA-BETUJISGSA-N 292.379 1.534 0 50 CDAA Nc1nc(N)nc(-c2ccc(C(=O)c3ccccc3)cc2)n1 803272 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O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1ccoc1 219479649 RMTPYLTZHGVTQV-CHWSQXEVSA-N 288.303 1.641 0 50 CDAA C[C@H](NS(=O)(=O)CCc1cccc(Cl)c1)C(=O)O 262089425 GQUPCBYRZXCFDJ-QMMMGPOBSA-N 291.756 1.275 0 50 CDAA CN(C)C/C=C/C(=O)NCc1ccc(Cn2ccnc2)cc1 491851575 ZNZAWRQAAAKPBA-ONEGZZNKSA-N 298.390 1.665 0 50 CDAA CSc1ncccc1C(=O)NCc1snnc1C 219864785 SIKPFWHTSLUBEU-UHFFFAOYSA-N 280.378 1.893 0 50 CDAA CC[C@H]1COCCN1C(=O)c1noc(C)c1COC 77298285 SEQAOVSLZHFMAG-JTQLQIEISA-N 268.313 1.380 0 50 CDAA COc1cc(CN2CCc3cncnc3C2)ccn1 332510340 HPKOWBLBFUTAJU-UHFFFAOYSA-N 256.309 1.439 0 50 CDAA COC[C@H](O)CN(C)[C@H]1CCCN(c2ccccc2)C1 127334090 KQMMHDJSKBQZED-JKSUJKDBSA-N 278.396 1.595 0 50 CDAA COc1cccc2c1OC[C@@H](C(=O)N1CCSCC1)C2 76202575 PLUBXNPAWGXTFF-LBPRGKRZSA-N 293.388 1.822 0 50 CDAA COCC1(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CCC1 263052255 FPNHJPYVOZJZPF-ZDUSSCGKSA-N 291.347 1.615 0 50 CDAA Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CC[C@@H](N)C1 263097174 NRZSMYVWLJKDBD-ZOWXZIJZSA-N 273.380 1.890 0 50 CDAA 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OSLZGKJWOHDRKO-LLVKDONJSA-N 274.386 1.012 0 50 CDAA Cc1cc([C@H]2CCCN2C(=O)Cn2nc(C)cc2N)on1 1506416015 GDSKFELHQMXFIX-LLVKDONJSA-N 289.339 1.434 0 50 CDAA CC(=O)N1CC[C@@H](CN(C)C(=O)c2c(C)coc2C)C1 408004840 ZRHIGOYELSBKEM-ZDUSSCGKSA-N 278.352 1.837 0 50 CDAA Cc1nc(C)c(C)c(N2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 1704297415 QUIGEDDFDFHOAT-CVEARBPZSA-N 298.390 1.837 0 50 CDAA CC1(CCC(=O)N(CCO)Cc2ncc[nH]2)CC1 1704308493 SFRPKQJSAJGMPU-UHFFFAOYSA-N 251.330 1.311 0 50 CDAA COc1ccnc(Cn2c(C)cc(=O)cc2O)c1OC 1547212347 LYBLMYNMWOWPIG-UHFFFAOYSA-N 276.292 1.323 0 50 CDAA COc1nc(N(C)Cc2nncn2C(C)C)ncc1F 1704331293 QHWLIHLRUHYFRK-UHFFFAOYSA-N 280.307 1.433 0 50 CDAA COc1ccc([C@H]2CCCN2CC(=O)O)c(OC)c1 237277034 KDQQFFRQZAOZCN-GFCCVEGCSA-N 265.309 1.925 0 50 CDAA CC(C)(C)OC(=O)NCc1ncc(C(=O)O)cn1 238178777 ZMDGGMVEXRHTBS-UHFFFAOYSA-N 253.258 1.200 0 50 CDAA in-vitro O=C(NC1CC1)[C@@H]1CCCN(C[C@H]2CCCCO2)C1 242167666 WYMVRWQDRNDPBI-TZMCWYRMSA-N 266.385 1.546 0 50 CDAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)NCc3cccc4c3CCNC4)C[C@@H]21 1615545274 GFADEYGLEGUTBT-HDEZJCGLSA-N 299.418 1.322 0 50 CDAA CCn1nncc1C(=O)Nc1nn(-c2cccnc2)cc1C 1615573338 CSHPYQHMDPBMJE-UHFFFAOYSA-N 297.322 1.439 0 50 CDAA O=C([C@@H](O)c1ccccc1F)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775979567 WYCCNHYYSFOVGE-MIJXAVMKSA-N 279.311 1.088 0 50 CDAA CN(CC[C@@H]1COCCO1)Cc1nc2ccc(F)cc2[nH]1 1775982486 WDVUUPCEEDAIRY-GFCCVEGCSA-N 293.342 1.939 0 50 CDAA CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCN(C)C 13670676 SZRAEUNZTJAZGV-AWEZNQCLSA-N 280.368 1.530 0 50 CDAA COc1ccc(C)cc1NC(=O)CCN1C(=O)CCC1=O 14189142 GJGUEVNFECGGJX-UHFFFAOYSA-N 290.319 1.481 0 50 CDAA COc1cc2c(cc1/C=C1\SC(=O)NC1=O)OCO2 15011220 CCBUJXRESNFBNK-KMKOMSMNSA-N 279.273 1.748 0 50 CDAA O=C(O)/C(Br)=C(\Br)C(=O)O 17061404 PMNMPRXRQYSFRP-OWOJBTEDSA-N 273.864 1.157 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 18024142 RFPXNHVDZINYSR-TXEJJXNPSA-N 299.392 1.802 0 50 CDAA COc1ccc(-c2nc(Cn3c(C)noc3=O)co2)cc1 1857532267 GXEXCILVZISTBP-UHFFFAOYSA-N 287.275 1.857 0 50 CDAA Cc1nc(-c2cnc3cccnn23)n(-c2ccncc2C)n1 1857683098 VLYPSNINAQDGGY-UHFFFAOYSA-N 291.318 1.989 0 50 CDAA C[C@@H](C(N)=O)N1CCc2c(-c3ccccc3)nn(C)c2CC1 1857697742 KQPHQSHQMZXTOH-LBPRGKRZSA-N 298.390 1.362 0 50 CDAA O=c1c2[nH]ccc2ncn1CCN1CCc2ccccc21 1857697813 NKYILGYRXGKSEK-UHFFFAOYSA-N 280.331 1.787 0 50 CDAA CN(C)C(=O)c1ccc(N2C[C@H]3CC[C@H](C3)C2)nn1 1857698702 DXHJURPHWNALEN-PHIMTYICSA-N 260.341 1.415 0 50 CDAA Cc1nc2cc(-c3nc(C(N)=O)nn3C)ccc2s1 1875244032 JHMTXVQSOJNBMX-UHFFFAOYSA-N 273.321 1.499 0 50 CDAA CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CO)CC1 408393754 GQHGTHSTYXFDAQ-SYQHCUMBSA-N 269.385 1.715 0 50 CDAA CCOC(=O)C[C@H](NCC(=O)N(C)C)c1ccccc1C 408524807 ZLUQTEVKSGAUMG-AWEZNQCLSA-N 292.379 1.667 0 50 CDAA CN1CC[C@@H]2CN(C(=O)c3ccc(-c4ccn[nH]4)cc3)C[C@@H]21 225402031 JXZGEGHMXGAFLG-ZBFHGGJFSA-N 296.374 1.853 0 50 CDAA C[C@H](N)[C@@H]1CN(Cc2cccc3c2CCOC3)CCO1 631822654 JZWAHOKKSHWISM-LRDDRELGSA-N 276.380 1.307 0 50 CDAA C[C@H](NS(=O)(=O)c1ccccc1)c1nnnn1C1CC1 252497385 QFHXPMHFZNVJHS-VIFPVBQESA-N 293.352 1.048 0 50 CDAA CC(C)(C)c1nnc(CN2CCO[C@@H](C(F)F)C2)o1 585080190 DTCXKNACIOWGFL-MRVPVSSYSA-N 275.299 1.833 0 50 CDAA Cc1nccn1-c1ccc([C@H](C)N[C@H](C)C(N)=O)cc1 164546839 FUWDSANQYXFNCD-WDEREUQCSA-N 272.352 1.705 0 50 CDAA O=C(O)[C@H]1COCCN(CC2CCC(F)(F)CC2)C1 1772805162 IWKGLZVJTOZMNP-LLVKDONJSA-N 277.311 1.845 0 50 CDAA Cn1nccc1[C@H]1CCCN1C(=O)[C@H]1CSCCS1 928371414 DJPRGKYBGJQTGZ-VXGBXAGGSA-N 297.449 1.932 0 50 CDAA C=CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1120461485 NLKMBDPZOLGYPE-UHFFFAOYSA-N 291.326 1.094 0 50 CDAA FC(F)(F)c1nnc(N2CCC3(CC2)OCCO3)s1 153563392 WEBLHILNMRMBCP-UHFFFAOYSA-N 295.286 1.900 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1C[C@H](C(=O)O)CC[C@H]1C 263454222 AMFPQVHPUXAOKA-LDYMZIIASA-N 279.340 1.362 0 50 CDAA COc1ccc(CN(C)CC2(CO)CCC2)cc1O 65403739 JUNZAYRIEWGFCJ-UHFFFAOYSA-N 265.353 1.995 0 50 CDAA Cc1[nH]cnc1CN1CCC[C@H](N2CCCC2=O)C1 97179480 AEMOALDFRVBRRW-LBPRGKRZSA-N 262.357 1.305 0 50 CDAA O=C(CCn1ccnc1)N1CCC(c2cnc[nH]2)CC1 333128065 IFNDVZKPTXWOIY-UHFFFAOYSA-N 273.340 1.403 0 50 CDAA Cn1cccc1C(=O)N1CCC[C@@H](CCO)CC1 335031079 YFCMSIAYWCRFTN-GFCCVEGCSA-N 250.342 1.650 0 50 CDAA O=C(O)[C@H](CNc1ccccn1)C1CCOCC1 863732971 FBBHJYWQKCLCII-LLVKDONJSA-N 250.298 1.621 0 50 CDAA Cc1cccc(C(=O)NC[C@@H](O)c2cnc[nH]2)c1C 1119616472 QIZKBURQMMIKOU-CYBMUJFWSA-N 259.309 1.490 0 50 CDAA Cc1c(C(=O)N[C@@H]2C[C@@H](CN)C2(C)C)cnc2ccnn12 2325800145 SBPOOROWKSTYRE-CMPLNLGQSA-N 287.367 1.141 0 50 CDAA CCn1ncc(=NC(=O)N2CC[C@@H]3CCC[C@H]3CC2)[nH]1 2325807573 DLDTWJPFUZQIOO-RYUDHWBXSA-N 277.372 1.764 0 50 CDAA Cc1cnc(CCNC(=O)[C@@]23CCC[C@]2(C(=O)O)C3)nc1 2325815715 IFMRBJPIHMVSQJ-LSDHHAIUSA-N 289.335 1.089 0 50 CDAA CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H]1CCN(C)C1=O 245339367 SGRIZKDUGOAPQH-MQYQWHSLSA-N 296.411 1.707 0 50 CDAA O=C(Nc1ccccn1)c1ccc(-n2cnnn2)cc1 418393 FZTUPEOOBRISPP-UHFFFAOYSA-N 266.264 1.310 0 50 CDAA O=C(O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 461312 VALJDQQNBSEPEW-UHFFFAOYSA-N 271.228 1.774 0 50 CDAA O=C(NCCCNCc1ccccc1)c1ccncc1 1902962 OGTYBPYVHPQGCG-UHFFFAOYSA-N 269.348 1.991 0 50 CDAA COc1cc2c(cc1OC)[C@H](CC(=O)O)NCC2 2100942 UEXHGUMUCVTSNK-JTQLQIEISA-N 251.282 1.365 0 50 CDAA biogenic CN(C(=O)OCc1ccccc1)[C@H](CO)CN1CCCC1 2581000 CQVKXKBHQQPCCC-HNNXBMFYSA-N 292.379 1.712 0 50 CDAA Cc1cc(C)cc(OCCOCCNCCO)c1 2981020 UFKUVMFFCRUOCR-UHFFFAOYSA-N 253.342 1.281 0 50 CDAA CCOP(=O)(OCC)[C@@H]1CC(=O)N(C)C(=O)N1C 3105862 MOENEWYHEFTJMR-SECBINFHSA-N 278.245 1.493 0 50 CDAA Cn1ccnc1SCC(=O)NCc1ccc(F)cc1 4804075 OPODZXJWRNDERW-UHFFFAOYSA-N 279.340 1.968 0 50 CDAA COC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(F)cc2)CC1=O 8234901 DAWZEIZTDJWAIT-GHMZBOCLSA-N 294.326 1.648 0 50 CDAA COc1ccccc1C(=O)Nc1nc2nc(C)cc(O)n2n1 8613517 ZRYQYCAIBAUTPL-UHFFFAOYSA-N 299.290 1.399 0 50 CDAA O=c1[nH]cnc2c(I)cccc12 26894394 ZCDKMEWIBQJRGA-UHFFFAOYSA-N 272.045 1.528 0 50 CDAA Cn1cncc1CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 230045476 LTNZZUCDIJXNGG-DRZSPHRISA-N 263.341 1.638 0 50 CDAA CCN(C)C[C@@H](C)CNC(=O)CCC(=O)NC1CCCC1 55227547 RSYDKMLLUTZAHP-ZDUSSCGKSA-N 297.443 1.529 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N[C@H]1CCS(=O)(=O)C1 247808919 CZEJTSVBKXMPOP-BJDJZHNGSA-N 271.382 1.116 0 50 CDAA COCCN(Cc1cnn(C)c1)Cc1nccs1 55325813 PYEAWCVDKIFXRH-UHFFFAOYSA-N 266.370 1.525 0 50 CDAA COC(=O)CCCn1nc(-c2ccco2)oc1=O 117109131 OMGCXEJRCKGGLX-UHFFFAOYSA-N 252.226 1.050 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N(C)c1nccs1 117604214 VTVSFVKASPKLMV-VIFPVBQESA-N 263.322 1.968 0 50 CDAA O=C(NC[C@@H]1CCCC[C@H]1O)[C@@H](O)C1CCCCC1 249465268 GPMLLEGLEOSUIZ-MJBXVCDLSA-N 269.385 1.595 0 50 CDAA CSC[C@H](C)C(=O)Nc1ccccc1O[C@@H]1CC(=O)N1 422040874 SQQXOZGZVFCVDP-TVQRCGJNSA-N 294.376 1.849 0 50 CDAA COC1(OC)CCN(C(=O)OCc2ccccc2)C[C@H]1O 114926310 YSTGJBDNTNVBIP-CYBMUJFWSA-N 295.335 1.379 0 50 CDAA CCOC(=O)[C@H]1CC2(CN1)CN(C(=O)OC(C)(C)C)C2 116186401 SLXLDVSCBKHICP-SNVBAGLBSA-N 284.356 1.149 0 50 CDAA Cc1cc(F)ccc1C(=O)N1C[C@@H]2CC[C@@H](N)[C@H]2C1 241157325 JWVBMWDVCFRWJD-LEWSCRJBSA-N 262.328 1.943 0 50 CDAA CN(Cc1cnc(N)nc1)Cc1nc(-c2ccccc2)no1 65430034 CYCSWIKUGMKVJS-UHFFFAOYSA-N 296.334 1.741 0 50 CDAA C[C@H](C1CC1)n1nccc1NC(=O)C1CC(C)(O)C1 448884594 UMGGNXBNOPGFRQ-FDMSEYEVSA-N 263.341 1.954 0 50 CDAA CO[C@@H](CNC(=O)c1cc(C)n(C(C)C)n1)C1CC1 452143293 OLKOYDZVQZMXAZ-ZDUSSCGKSA-N 265.357 1.927 0 50 CDAA CCn1cncc1S(=O)(=O)N1CCc2cnccc21 329289673 AFKRYFQZTLXFDG-UHFFFAOYSA-N 278.337 1.049 0 50 CDAA FC(F)(F)CN1CC[C@H](N[C@H]2CCN3CCCC[C@@H]23)C1 252517729 PYYKMKAJZAWCMR-AVGNSLFASA-N 291.361 1.839 0 50 CDAA CCCn1ncc(C(=O)NCc2ccc(CN)cc2)c1C 65376390 VOYFCGYEFSBDQG-UHFFFAOYSA-N 286.379 1.990 0 50 CDAA COc1ccc2cc(C(=O)O)sc(=O)c2c1OC 566819 UZOICEKOYMNEAH-UHFFFAOYSA-N 266.274 1.977 0 50 CDAA biogenic CC(C)[C@H](CO)NC(=O)c1cc(-c2ccsc2)[nH]n1 409413015 QRZNCIIWGCCQLP-LBPRGKRZSA-N 279.365 1.885 0 50 CDAA C=CC(=O)NCCCN1C(=O)COc2ccccc21 521394071 GOZKLLFQMOBOFG-UHFFFAOYSA-N 260.293 1.104 0 50 CDAA Cc1nn(CCO)cc1CN1CCCC[C@H]1CCN(C)C 72430389 CXZSYBOGZVZBSP-INIZCTEOSA-N 294.443 1.490 0 50 CDAA Cc1ncc(CNS(=O)(=O)[C@H]2CCO[C@H](C)C2)s1 253430249 QEORXGPMHDWJHJ-KCJUWKMLSA-N 290.410 1.438 0 50 CDAA Cc1nc(C2CC2)ccc1C(=O)N1C[C@H](F)C[C@H]1CO 333390635 GWHQMFQDMVFFCG-NEPJUHHUSA-N 278.327 1.812 0 50 CDAA Cc1cc(OCC(=O)O)ccc1NC(=O)C[C@@H]1CCOC1 362606822 SCWAGMUVNDGIAM-NSHDSACASA-N 293.319 1.824 0 50 CDAA CO[C@]1(C)C[C@@H](NC(=O)[C@@]2(C)CCNC2)C1(C)C 237268248 WTPORTZLMROTLY-DDTOSNHZSA-N 254.374 1.306 0 50 CDAA COc1cccc(OCC(=O)N2CCC[C@@H]([C@@H](C)N)C2)c1 237277304 WOVBCECUMHTCFD-CHWSQXEVSA-N 292.379 1.660 0 50 CDAA C[C@@H](CCc1cccn1C)NC(=O)C1(C(=O)O)CC1 154933464 RMMPYYADDZCDJP-JTQLQIEISA-N 264.325 1.327 0 50 CDAA CC(=O)NCCNC(=O)NCc1cccc(OC(C)C)c1 79850867 GVZUZBQRHYCXKZ-UHFFFAOYSA-N 293.367 1.409 0 50 CDAA c1cc(-c2nc3c(c(NC4CC4)n2)CNC3)ccn1 72129547 ZLIYUGPKWVLASK-UHFFFAOYSA-N 253.309 1.716 0 50 CDAA O=C(CCc1cccnc1)NC1(C(=O)O)CCCC1 37419562 PWIUMWVKMVWNBP-UHFFFAOYSA-N 262.309 1.528 0 50 CDAA CO[C@H](C(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO)c1ccccc1 241926460 UGJIPCPPUREGOB-GVRJEKJASA-N 289.375 1.897 0 50 CDAA Cc1cc(NCc2cnn(C)c2)n2nc(C)cc2n1 72432431 PYWQMJPOUKPYDB-UHFFFAOYSA-N 256.313 1.692 0 50 CDAA NC(=O)c1n[nH]c2ccc(NC(=O)[C@H]3CCCCO3)cc12 124311252 LAEBDJLRAQALRM-LLVKDONJSA-N 288.307 1.169 0 50 CDAA COc1ccc(-c2nccn2CCC(N)=O)cc1OC 71662142 YHBIBRPUFZOMEB-UHFFFAOYSA-N 275.308 1.443 0 50 CDAA Cc1n[nH]cc1CNC[C@@](C)(CO)c1ccccc1 342197232 BXRFWGDZZONVBG-HNNXBMFYSA-N 259.353 1.758 0 50 CDAA CCc1cnc(CN(C)C(=O)[C@@H]2CC(=O)N(CC)C2)s1 175877969 FGJQPGOKMXROCR-SNVBAGLBSA-N 295.408 1.532 0 50 CDAA C[C@@H](c1nc(-c2cccnn2)no1)N1CCCC1=O 82146841 OGNRDRFLIKEDOH-QMMMGPOBSA-N 259.269 1.210 0 50 CDAA CSCCC(=O)N[C@H](C(=O)O)c1cccc(C)c1 223324456 XUZWVIDCOCNTIS-LBPRGKRZSA-N 267.350 1.990 0 50 CDAA NC1CC(c2cc(NCCn3cccn3)nc(C3CC3)n2)C1 222348564 NOYMLNDBZLQETN-UHFFFAOYSA-N 298.394 1.867 0 50 CDAA C[C@H](Cc1ccsc1)NC(=O)Cn1cccnc1=O 48819892 WAZCCXOFNWBCBT-SNVBAGLBSA-N 277.349 1.052 0 50 CDAA CCc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2COC)[nH]1 220719584 PDNFCDXRJVEFAS-UNJBNNCHSA-N 278.352 1.357 0 50 CDAA CCCNS(=O)(=O)N1CCCC[C@@H]1c1ccnn1C 292264001 KNNLKUTZHSEMND-GFCCVEGCSA-N 286.401 1.192 0 50 CDAA Cc1[nH]nc(C(=O)NCC[C@H]2CCCOC2)c1Cl 426683905 PCPGUDRZCCYSPM-SECBINFHSA-N 271.748 1.918 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)Cc1c(C)n[nH]c1C 135752244 VMDRIUIJTIFKNJ-SNVBAGLBSA-N 267.329 1.329 0 50 CDAA NC[C@H]1CCN(C(=O)c2ccc(OCC3CC3)cc2)C1 178546042 BJZMOVOPVZHKGI-CYBMUJFWSA-N 274.364 1.896 0 50 CDAA C[C@@H]1CN(CCCOc2ccc(F)cc2)CCN1 40456415 CBMYJVACGVUFIQ-GFCCVEGCSA-N 252.333 1.888 0 50 CDAA CC(=O)N1CCCN(C[C@@H](O)c2ccccc2)CC1 49932688 XHXDXNKNKOANAB-OAHLLOKOSA-N 262.353 1.274 0 50 CDAA COCC[C@]1(CO)CCCN(C(=O)Cc2cscn2)C1 91713572 ZMGXADLTLBBOPM-CQSZACIVSA-N 298.408 1.323 0 50 CDAA Cc1n[nH]c(C)c1CN(C)Cc1cccc(C(=O)O)n1 97660728 VDXDLJLABSMPAW-UHFFFAOYSA-N 274.324 1.752 0 50 CDAA O=C(NC[C@]1(O)CCNC1)Nc1cccc2ccccc12 97910775 JSRGSWLXBLTFAC-INIZCTEOSA-N 285.347 1.686 0 50 CDAA CNc1ncccc1C(=O)N[C@@H](CCSC)C(=O)O 426612468 CIDJIDIAGBKOBW-VIFPVBQESA-N 283.353 1.059 0 50 CDAA Cc1ccccc1N1CCN(CCC(=O)O)CC1=O 91486584 BFCCJJDMEBMWOW-UHFFFAOYSA-N 262.309 1.118 0 50 CDAA Cc1ccc2[nH]c(CN3CCC(C(N)=O)CC3)cc(=O)c2c1 91713655 YFLFIPSDNUHRPL-UHFFFAOYSA-N 299.374 1.534 0 50 CDAA Cc1ccc(C)c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)c1 239235260 VQWFIKFFDQRBPN-YIYPIFLZSA-N 287.315 1.896 0 50 CDAA COCCc1noc([C@@H]2COc3c(cccc3OC)C2)n1 96152890 BSVWDGFXALKASG-NSHDSACASA-N 290.319 1.986 0 50 CDAA CC(C)[C@@H]1CN(Cc2cncnc2)C[C@H]1NC(=O)N(C)C 95353785 PTOQZEPTNCIJEJ-UONOGXRCSA-N 291.399 1.204 0 50 CDAA Cc1cc(C)n2nc(C(=O)NCC[C@H]3CCOC3)cc2n1 244605594 FBLPRMPSPXGZGC-LBPRGKRZSA-N 288.351 1.503 0 50 CDAA Oc1n[nH]c(CN2CCC[C@H](C(F)(F)F)C2)n1 340758397 HIDOHRZOYPOWIO-LURJTMIESA-N 250.224 1.285 0 50 CDAA Cc1nccc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)n1 299748498 HGIOPIOQUWLNTH-DRZSPHRISA-N 289.335 1.643 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@@H]2CC23CCOCC3)[C@H]1CN 299739628 QSDXMSJZSSORFA-AGIUHOORSA-N 266.385 1.389 0 50 CDAA NC(=O)[C@H](O)C1CCN(Cc2cc(F)cc(F)c2)CC1 299741756 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COc1ccc2c(c1)cc(C(=O)NCCCC(=O)O)n2C 952888106 MWXSPMKVTFCTQD-UHFFFAOYSA-N 290.319 1.782 0 50 CDAA CCc1ccc2occ(C(=O)NCCCc3nn[nH]n3)c2c1 888093179 NJJSQHSNTQNTEE-UHFFFAOYSA-N 299.334 1.871 0 50 CDAA O=C1O[C@H](C(=O)O)Cc2cc(C(F)(F)F)ccc21 1772717664 VLIMKGQVIOQONM-QMMMGPOBSA-N 260.167 1.872 0 50 CDAA COc1ccccc1C(=O)NCC1(C(=O)O)CCOCC1 165922555 USLDZZHRQBUWLC-UHFFFAOYSA-N 293.319 1.306 0 50 CDAA OC[C@H]1CN(Cc2c(F)cc(F)cc2F)CC[C@H]1O 1140529451 COJHFEXCIFYRGP-AMIZOPFISA-N 275.270 1.279 0 50 CDAA O=C(O)C1CCN(C(=O)c2cnn(C3CCC3)c2)CC1 899295059 HYODGBRQFBNJMY-UHFFFAOYSA-N 277.324 1.545 0 50 CDAA O=C(NC1CC2(CCC2)C1)[C@]12CNC[C@H]1CCOC2 1354309088 PYENQBBFFNLEML-ABAIWWIYSA-N 264.369 1.061 0 50 CDAA CN(CC(C)(C)O)c1nnc(-c2ccccn2)s1 273556789 BABLMGOFTYEYLX-UHFFFAOYSA-N 264.354 1.807 0 50 CDAA COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCOC1)CCO2 274277219 ARKRBJHEWHKXJU-MFKMUULPSA-N 277.320 1.672 0 50 CDAA Cc1cc(CN[C@@H](C)C(=O)OC(C)(C)C)nc(N(C)C)n1 170089698 IRTYERBXGGUAKP-NSHDSACASA-N 294.399 1.671 0 50 CDAA O=C(NCc1nnc[nH]1)c1cccn1C1CCCC1 170592948 VSZCFJSKSWOSPP-UHFFFAOYSA-N 259.313 1.651 0 50 CDAA CC(C)(C)[C@@H]1CN(C(=O)Nc2cnns2)CCO1 279648547 WOJYGVHBZZTKOD-QMMMGPOBSA-N 270.358 1.817 0 50 CDAA COc1cccc([C@@H](C(=O)O)N2CCc3nccnc3C2)c1 634693541 ZUUGIAPUUZPRCA-HNNXBMFYSA-N 299.330 1.669 0 50 CDAA COC1(CNC(=O)[C@H]2CCCc3nc[nH]c32)CCC1 580178796 DMVDHIMTXVSWBF-JTQLQIEISA-N 263.341 1.515 0 50 CDAA C[C@](O)(C[C@H](O)CN[C@H](CCO)c1ccco1)C1CC1 634719833 AHZCNAJIUZDRRX-GUTXKFCHSA-N 283.368 1.205 0 50 CDAA CON(CC(=O)N(C)C)[C@@H]1CCCOc2ccccc21 408513641 JIRRGDSSBDFNID-CYBMUJFWSA-N 278.352 1.852 0 50 CDAA COCC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 640866799 PBUFKWBTDDKZPF-MJBXVCDLSA-N 298.427 1.153 0 50 CDAA O=C(c1ccc2c(c1)COB2O)N1CCC[C@@H](C2CCC2)C1 585007961 DPWCZBGDPSKWKM-CQSZACIVSA-N 299.179 1.557 0 50 CDAA CC(C)C[C@H]1C(=O)NCCN1Cc1cnc2ccccn12 189793574 WHWQBIOEUQARAE-AWEZNQCLSA-N 286.379 1.681 0 50 CDAA COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCc2ccccc21 225476057 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Cc1cccc2c(N3CCN(CC(=O)O)CC3)ncnc12 832973563 CYDNTBXARFNHOK-UHFFFAOYSA-N 286.335 1.145 0 50 CDAA CNC(=O)NC(=O)CN1CCC[C@@]1(C)Cc1cccs1 932930352 QFYDCVFPZATSIS-AWEZNQCLSA-N 295.408 1.601 0 50 CDAA CCOc1ccc(C(=O)NC2(C(=O)O)CC2)cc1OC 203653694 QHAHVDYHVZBUOX-UHFFFAOYSA-N 279.292 1.441 0 50 CDAA O=C1c2ccncc2C(=O)N1CCc1ccccc1 104056 QSTOTXWSGNLQJX-UHFFFAOYSA-N 252.273 1.920 0 50 CDAA O=C(N[C@@H]1CCCNC1=O)c1cc2ccccc2[nH]1 50392793 XCUHRAQRZGJNKK-LLVKDONJSA-N 257.293 1.176 0 50 CDAA Cc1noc([C@H]2CCCN(Cc3cnns3)C2)n1 289507616 DZZFMBUEPVSITK-VIFPVBQESA-N 265.342 1.609 0 50 CDAA Cc1cc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)cs1 296103537 RXSNDORSWHZAFY-GFCCVEGCSA-N 288.438 1.522 0 50 CDAA Cc1nnc(CN(C)[C@@H](CO)Cc2ccccc2)s1 661092738 KDHMXVUWMFIKFQ-CYBMUJFWSA-N 277.393 1.882 0 50 CDAA O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1CC1(O)CCOCC1 337288026 LIEFVZQETVUGIY-RBSFLKMASA-N 283.412 1.543 0 50 CDAA CCc1nccn1CCCN=c1nc2ncn(C)c2c[nH]1 2100483625 CINYMGGACSAPKE-UHFFFAOYSA-N 285.355 1.046 0 50 CDAA 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Cc1ccsc1CNC(=O)N1CC(NC(=O)C2CC2)C1 275256338 NXLFCGRRGGAFSI-UHFFFAOYSA-N 293.392 1.477 0 50 CDAA CC(=O)N1CCc2c(ncn(CCC(C)C)c2=O)C1 275353174 AEHXFEQPASJBHL-UHFFFAOYSA-N 263.341 1.194 0 50 CDAA CCOC(=O)c1cnc2c(Br)cnn2c1C 85224630 VIOCCXOFHZYPTJ-UHFFFAOYSA-N 284.113 1.977 0 50 CDAA in-vitro CC[C@H]1OCCC[C@H]1C(=O)Nc1ncccc1O 277268157 GVWOKHGEDQLFEO-MWLCHTKSSA-N 250.298 1.931 0 50 CDAA O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(=O)[nH]n1 170593489 JGZKKBCPNRWWSX-UHFFFAOYSA-N 284.197 1.436 0 50 CDAA CO[C@H]1CNC[C@H]1NC(=O)/C(C)=C/c1ccc(F)cc1 170686248 MWTUNUVBFBPMCW-OSTYMCCRSA-N 278.327 1.332 0 50 CDAA CC(C)(C)n1cnc(C(=O)NOc2ccc(F)cc2)n1 585126635 DULWIAMWVBQAKW-UHFFFAOYSA-N 278.287 1.896 0 50 CDAA CC[C@]1(C)COCCN1C(=O)c1cnc(N(C)C)cn1 408153234 JJXRDYDFVLMZHQ-CQSZACIVSA-N 278.356 1.184 0 50 CDAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCc2nc(C3CC3)no2)C1 643963489 YCHITLBASDWOBK-UPJWGTAASA-N 292.383 1.024 0 50 CDAA COc1ccc(CNC(=O)[C@@H]2CCCO[C@@H]2C)cn1 191616232 XXSNJMKRXDOZNO-ZYHUDNBSSA-N 264.325 1.522 0 50 CDAA CC(C)N1CCN(C(=O)Nc2cnns2)CC1 192323571 ZOIBRDFNXNDDRP-UHFFFAOYSA-N 255.347 1.096 0 50 CDAA COc1ncccc1CN1CCC(C)(C)S(=O)(=O)CC1 193584542 LJBMRGIMVJAZBX-UHFFFAOYSA-N 298.408 1.489 0 50 CDAA Cc1c(CNC(=O)[C@H]2CCCO[C@H]2C(C)C)cnn1C 563881749 HVMVSGFKJWHMAV-KBPBESRZSA-N 279.384 1.796 0 50 CDAA CC(=O)N1CCCN(C(=O)NCCOCCC(C)C)CC1 194499498 MEAIKWNXEIMKJY-UHFFFAOYSA-N 299.415 1.313 0 50 CDAA CO[C@H](CC(=O)NC1CCC(C(=O)O)CC1)C(F)(F)F 652058755 FDDUZQQIJHEOIP-AMDVSUOASA-N 297.273 1.713 0 50 CDAA CC(=O)N[C@H]1CCCN([C@H](C(=O)O)c2ccccc2F)C1 652390034 YFBYBTIKKROFAD-FZMZJTMJSA-N 294.326 1.552 0 50 CDAA O=C(O)[C@]1(C(=O)N2CCN3CCC[C@H]3C2)CC=CCC1 653303520 QNHFRRJWRLKIJU-SWLSCSKDSA-N 278.352 1.104 0 50 CDAA CCc1csc(CNc2cc3nncn3c(N)n2)n1 1529173172 NCAUZFPFNPJJFY-UHFFFAOYSA-N 275.341 1.338 0 50 CDAA CCc1c(C)nn(C)c1NC(=O)C1CCOCC1 1529158705 JFUZHMOYKCXFAX-UHFFFAOYSA-N 251.330 1.656 0 50 CDAA COc1ccc(NC(=O)NCc2nc(C)c(C)[nH]2)cn1 1857529168 VBVYCROMCFACJN-UHFFFAOYSA-N 275.312 1.752 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)O)C1 110915541 ZPRFJQKYRCYHPF-NOZJJQNGSA-N 271.313 1.487 0 50 CDAA in-vitro Cn1ccc(CNCC2(C(=N)O)CCOCC2)c1 330508467 CDELVLDRBPHYML-UHFFFAOYSA-N 251.330 1.447 0 50 CDAA O=C(NCc1ccccc1)C1([C@]2(O)CCCNC2)CCC1 1616036623 ZFCUEMDLIIBUMT-KRWDZBQOSA-N 288.391 1.588 0 50 CDAA CNc1ccc(Cl)cc1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 1616077439 RREOAJHBTUUBGC-ZANVPECISA-N 298.770 1.197 0 50 CDAA Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[C@@]32CO)ccc1F 1615586234 ROJFREKENWVZJG-BXUZGUMPSA-N 299.367 1.670 0 50 CDAA CCn1ncc(C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)n1 1615542154 LJFQNZIWBNFTKC-PSASIEDQSA-N 288.298 1.578 0 50 CDAA NCCCCNc1nnc([C@H](N)Cc2ccccc2)o1 1772701798 BMFJWJRLHGLHDD-GFCCVEGCSA-N 275.356 1.463 0 50 CDAA CC1=C[C@H](C)[C@@H](C(=O)OCCN(C)C)[C@@H](C(=O)O)C1 5164611 UWKFNPDBBIBDBH-SDDRHHMPSA-N 269.341 1.394 0 50 CDAA COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 5599925 OROGSEYTTFOCAN-DTKOIPMJSA-N 299.370 1.501 0 50 CDAA in-vitro COCCN1C[C@H](c2ncc(-c3cccnc3)[nH]2)CC1=O 19147601 DYZNXMGPXQTFNN-GFCCVEGCSA-N 286.335 1.434 0 50 CDAA O[C@H](COc1ccc2ccccc2c1)CN1CCOCC1 19338625 JSWWJTJVIUOLIM-INIZCTEOSA-N 287.359 1.912 0 50 CDAA CCS(=O)(=O)Nc1ccc(-c2nc(COC)no2)cc1 19813164 BLAIMFBUDZICIA-UHFFFAOYSA-N 297.336 1.645 0 50 CDAA Cc1csc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)n1 169366283 WJRPHTSFHUPAIQ-HXFLIBJXSA-N 280.305 1.044 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCCC1=CCCCC1 169368001 HGLQREXPUNVVBE-YIYPIFLZSA-N 293.363 1.871 0 50 CDAA Cc1ccc2ncnc(N3C[C@H]4CC[C@@H](C3)N(C)C4)c2n1 1857668669 ORTXRXBTLLWKFJ-STQMWFEESA-N 283.379 1.864 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2nccn2C)n1 408039283 URGOUARSZAIEKQ-SKDRFNHKSA-N 277.328 1.074 0 50 CDAA C[C@@H](NC(=O)C(=O)NC[C@@H]1CCCO1)c1ccccc1 2943048 OAHMFRBSTLXJCN-YPMHNXCESA-N 276.336 1.159 0 50 CDAA COC[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H](C)O1 632689252 OFPIXEDTXUXCKK-AAEUAGOBSA-N 293.367 1.095 0 50 CDAA CCOc1ccc(NC(=O)N2C[C@H](C)[C@H](CN)C2)nc1C 632954867 GDTFYXYZPUOIPS-CMPLNLGQSA-N 292.383 1.847 0 50 CDAA COc1ccc(N2CCN(C(=O)c3ccco3)CC2)nc1 332410843 GQCJJMSZCJQYDH-UHFFFAOYSA-N 287.319 1.646 0 50 CDAA CCOc1cc(N[C@@H]2CCCC[C@@H]2C(=O)NC)ncn1 127857913 NIIVVCADTWCHJO-WDEREUQCSA-N 278.356 1.592 0 50 CDAA CCCc1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1 10077507 YMXDZJLPOFYPNP-UHFFFAOYSA-N 295.408 1.873 0 50 CDAA Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3CO)c2c1 133271086 HJXNHHUIHJTIPB-JTQLQIEISA-N 259.309 1.468 0 50 CDAA COc1ccc(OCCSc2nc(N)cc(=O)[nH]2)cc1 18136484 WXRJSYHQFMKDAC-UHFFFAOYSA-N 293.348 1.532 0 50 CDAA CCc1nc([C@@H]2CCCN2C(=O)N=c2cc[nH]cc2)no1 674072503 PPWVTSOGMPMDFF-NSHDSACASA-N 287.323 1.818 0 50 CDAA C[C@H](NC(=O)c1cnc(-c2ccccc2)nc1)[C@H](C)C(=O)O 576818013 UOEXFFVDLCCRRO-QWRGUYRKSA-N 299.330 1.983 0 50 CDAA Cc1nnc(CC(=O)N2CCN(C)c3ccccc3C2)o1 370687571 FEPGCRJMXUDVBY-UHFFFAOYSA-N 286.335 1.399 0 50 CDAA CCn1nc(C)c(S(=O)(=O)N(C)c2cccnc2)c1C 266142662 IAOYPMRRQHHWAH-UHFFFAOYSA-N 294.380 1.740 0 50 CDAA CC[C@@]1(CO)COCCN1Cc1c(F)cccc1F 1875303048 SJLUVOQUBWLASV-CQSZACIVSA-N 271.307 1.938 0 50 CDAA N[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)nc2)C1 911623422 NKZYBVGXPDJOJH-SECBINFHSA-N 271.267 1.246 0 50 CDAA O=S1(=O)CCC[C@H]1CN1CCC=C(c2ccccn2)C1 930572799 RJTWFXQYPQRZBX-AWEZNQCLSA-N 292.404 1.748 0 50 CDAA Cc1cc(NC(=O)NCCN2CCO[C@H](C)C2)cs1 932180849 VTBITNCYABGIQX-SNVBAGLBSA-N 283.397 1.899 0 50 CDAA Cc1cc(C)n2nc(NC(=O)C3CCOCC3)cc2n1 1143013389 SWDCSBZDQFLCAG-UHFFFAOYSA-N 274.324 1.711 0 50 CDAA COCC[C@@](C)(O)CNC(=O)c1ccc(O)c(C)c1 227036714 GUTHHPCYILJXLL-CQSZACIVSA-N 267.325 1.218 0 50 CDAA O=S(=O)(Cc1ccccc1)N1CCC2(CC1)OCCO2 6699350 JUAYIEVHSLEBEY-UHFFFAOYSA-N 297.376 1.355 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@H](c3nccs3)C2)C1 237864435 GGQFUTAIAOWQKH-IJLUTSLNSA-N 295.408 1.561 0 50 CDAA C[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)c2ccsc2)C1 263107577 DEXTUGOKQUQJDQ-BDAKNGLRSA-N 289.378 1.479 0 50 CDAA C[C@H]1CC[C@@H](C(=O)O)CN1S(=O)(=O)CC1CCC1 263528816 VLHDPSIQJYZZEM-GXSJLCMTSA-N 275.370 1.301 0 50 CDAA Cn1cnnc1[C@H]1CCCN1Cc1c(Cl)cnn1C 187403155 TYAZEJOCOAXPNN-SNVBAGLBSA-N 280.763 1.539 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)[C@H](C)n1ccnc1C 426374158 JJDJVGKKFXMWMG-NSHDSACASA-N 275.356 1.451 0 50 CDAA Cc1nccn1[C@H](C)C(=O)NCCCC(C)(C)CO 426403445 DJXOYEYDHHBKBD-LLVKDONJSA-N 267.373 1.667 0 50 CDAA COCC1(CNC(=O)c2csc(=N)[nH]2)CCCC1 534638540 HWJDXIPVEIQNFB-UHFFFAOYSA-N 269.370 1.492 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2O)sc1C 629226573 UBMJBCWTDZUDIP-UWVGGRQHSA-N 255.339 1.245 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)c2cccc(Cl)c2C)C1 334298779 OOYCXZGTJPKQSK-QWRGUYRKSA-N 283.755 1.870 0 50 CDAA CN(C)CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 337274431 DDEFZSPSVGIIOG-JHJVBQTASA-N 254.374 1.090 0 50 CDAA Cc1nc(N[C@@H]2C=CS(=O)(=O)C2)c2ccsc2n1 95382241 DRDGRBNKUMMBBX-MRVPVSSYSA-N 281.362 1.722 0 50 CDAA O=C(C1CCN(C(=S)NC2CC2)CC1)N1CCCC1 4727807 XQSSPNSBHSZXOU-UHFFFAOYSA-N 281.425 1.358 0 50 CDAA Cn1cnc2nc(N3CC[C@@H](n4ccnc4)C3)ncc21 2100556386 LSEKUZOTRAUPGY-SNVBAGLBSA-N 269.312 1.011 0 50 CDAA CN(Cc1cnc[nH]1)C1=NC[C@H](c2ccccc2)N1 2325771435 ROKHOAXZRPANSY-CYBMUJFWSA-N 255.325 1.542 0 50 CDAA Clc1ncc(OC[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cn1 2325777515 INNRBCGSVNSWQM-RPQMDJCFSA-N 252.701 1.932 0 50 CDAA C[C@@H]1CCCc2cc(C(=O)N(C)CC3CN(C)C3)nn21 2325792496 JBUZHJPBRVBMRS-LLVKDONJSA-N 276.384 1.414 0 50 CDAA Cc1c(C(=O)OCc2ccnn2C)cnc2ccnn12 2325819737 OOINZYICOHMTKY-UHFFFAOYSA-N 271.280 1.128 0 50 CDAA C[C@@H](NC(=O)c1cc2cccn2c(O)n1)c1cncn1C 2325878723 ZKYZYSBURWXLIF-SECBINFHSA-N 285.307 1.264 0 50 CDAA O=C(O)C1(c2cccc(Cl)c2)CCS(=O)(=O)CC1 2325712076 FLZMJFXCVFXQCR-UHFFFAOYSA-N 288.752 1.871 0 50 CDAA N[C@H](CCc1ccccc1)C(=O)NC[C@@H]1CCCS1 133028659 FTICTLHNWFZLCH-UONOGXRCSA-N 278.421 1.958 0 50 CDAA COc1cc(OC)c(C(=S)N2CCOCC2)cc1OC 617866 MZGDFUHFLJHIPY-UHFFFAOYSA-N 297.376 1.720 0 50 CDAA CCOC(=O)c1cnn(CCOc2ccccc2)c1N 1209106 ZZSHDJKRAKDSEC-UHFFFAOYSA-N 275.308 1.721 0 50 CDAA COc1cccc(NC(=O)C[C@@H]2SCCNC2=O)c1 2342681 VQKUJUMCCPTJON-NSHDSACASA-N 280.349 1.255 0 50 CDAA CCCCNS(=O)(=O)c1ccc(OC)c(N)c1 4558769 XOIMPHNXVTYJAB-UHFFFAOYSA-N 258.343 1.356 0 50 CDAA COc1cc(S(=O)(=O)n2cnc(C)c2)c(OC)cc1C 4911165 UNTIQUXAZHJSIF-UHFFFAOYSA-N 296.348 1.754 0 50 CDAA COC(=O)CSc1nnc(CCc2ccccc2)n1C 6731382 HRJBQUREDQBSBB-UHFFFAOYSA-N 291.376 1.865 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2Cc2nnc(C)o2)c1 225728921 ZLKSIBREVOINSV-JSGCOSHPSA-N 289.335 1.695 0 50 CDAA CC[C@@H](C)NC(=O)c1cccc(NS(C)(=O)=O)c1C 10330713 IWYDPYDDZSKGHO-SECBINFHSA-N 284.381 1.895 0 50 CDAA CCc1nc(C)ccc1OCCN1CCOCC1 20211349 WUIMOKSOWDZXLC-UHFFFAOYSA-N 250.342 1.663 0 50 CDAA Cc1ccccc1NC(=O)NCCCN1CCN(C)CC1 20153993 PHSLBPHMNXZPMI-UHFFFAOYSA-N 290.411 1.754 0 50 CDAA C[C@H]1CN(C[C@H]2CCCN2C(=O)c2cc[nH]n2)C[C@@H](C)O1 229518164 LOPLCYICGGNJTP-FRRDWIJNSA-N 292.383 1.124 0 50 CDAA CCN1CCN(C(=O)c2ccc(C)n2C(F)F)[C@H](C)C1=O 1506425688 QVNNLRMNDHWQCJ-SNVBAGLBSA-N 299.321 1.884 0 50 CDAA C[C@H]1Cc2ccccc2N1C(=O)c1cn(CCCN)nn1 422902448 DESXFCHLKBQQAA-NSHDSACASA-N 285.351 1.218 0 50 CDAA O=C(NC1(C(=O)O)CC1)c1cc(O)ccc1Cl 236415867 DWAGMBFWSQTVNU-UHFFFAOYSA-N 255.657 1.393 0 50 CDAA O=C(c1ccc(=O)[nH]c1)N1CCC(Cn2ccnc2)CC1 62129536 MTMSJIKVTXLWII-UHFFFAOYSA-N 286.335 1.124 0 50 CDAA Cc1nc(N(C)C)nc(NCc2csc(N)n2)c1C 65489813 MZYRLFIAWDSTRG-UHFFFAOYSA-N 278.385 1.810 0 50 CDAA Cc1nc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)no1 121124257 PVZMGVLKBIPAMN-ZWNOBZJWSA-N 295.289 1.964 0 50 CDAA Cc1ccc(F)cc1CNC[C@H]1CC[C@@H](CO)O1 353710779 TXRKIUUBYSGRFN-KGLIPLIRSA-N 253.317 1.764 0 50 CDAA Cc1cc(-n2nc(C(C)C)nc2C2(C(N)=O)CC2)ccn1 65425636 VESANEXYLMGIBY-UHFFFAOYSA-N 285.351 1.611 0 50 CDAA COCc1ccc(C(=O)N2CC[C@H](CO)C[C@@H]2C)o1 354233703 AQMNZNCFGBHPOJ-QWRGUYRKSA-N 267.325 1.659 0 50 CDAA Cn1cccc1CN[C@H]1CCCO[C@@H]1c1nccn1C 328649888 VIEHASMHFXSEHP-KBPBESRZSA-N 274.368 1.769 0 50 CDAA Cc1ccc([C@H](C(=O)NCC(F)F)N(C)C)cc1 67872983 FIUCEWOQDLNYQI-GFCCVEGCSA-N 256.296 1.979 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3cnn[nH]3)c2)O1 333138915 YIJYFOHTZKYJKX-RNCFNFMXSA-N 272.308 1.978 0 50 CDAA Cc1nc(CN(C)CC2(O)CCOCC2)cs1 123721163 VFBUQNKOTPIUJI-UHFFFAOYSA-N 256.371 1.425 0 50 CDAA CO[C@@H](C)CC(=O)N1CCCC[C@@H]1c1ncon1 124066735 CAXNSHXOELFFST-VHSXEESVSA-N 253.302 1.548 0 50 CDAA O=C(C1Cc2ccccc2C1)N1CCOC[C@H]1c1ncon1 330297669 LAKMPUPXXHGAFJ-AWEZNQCLSA-N 299.330 1.385 0 50 CDAA C[C@@H](NC(=O)CCCOc1ccccc1)c1nc(=O)[nH][nH]1 215204830 ASIVXFIIESFMLT-SNVBAGLBSA-N 290.323 1.134 0 50 CDAA CCc1cc(NC(=O)c2nc(O)c3ccccc3n2)[nH]n1 253630386 WOZAFVRJTBKJPS-UHFFFAOYSA-N 283.291 1.873 0 50 CDAA CC(C)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)n1 253623474 VQOJIHYKJBBASV-XHSDSOJGSA-N 293.411 1.826 0 50 CDAA Cc1c(C(=O)N2C[C@H](C)N[C@@H](C)C2)cnn1C(C)(C)C 153205638 ZMYJLAUCCCUJQI-QWRGUYRKSA-N 278.400 1.769 0 50 CDAA c1ccc(-n2nnnc2CN2CCOC3(CCC3)C2)cc1 154273655 RKCPXQDNPQGOFC-UHFFFAOYSA-N 285.351 1.417 0 50 CDAA CNCC(=O)NC[C@@H]1CCN(c2ccccc2C)C1 71662298 SPHKTAPPNGIYTA-ZDUSSCGKSA-N 261.369 1.157 0 50 CDAA COc1ccsc1C(=O)NCC1(C)CCNCC1 129068312 CAOCOBCDTMCZCA-UHFFFAOYSA-N 268.382 1.876 0 50 CDAA 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CNCCN(C)C(=O)Cc1coc(-c2ccccc2)n1 237294598 VSDPGJFTGLJZLL-UHFFFAOYSA-N 273.336 1.562 0 50 CDAA Cc1ccc2c(c1)SCC(=O)N2CCCn1cnnn1 95373697 ZKXPWJOHTACAFZ-UHFFFAOYSA-N 289.364 1.511 0 50 CDAA CCN1CCC(CNc2ccncn2)(N(C)C)CC1 91848708 VXEUMVIKAQKFRX-UHFFFAOYSA-N 263.389 1.305 0 50 CDAA COc1nccnc1N1CCN(c2ncccc2C)CC1 96163738 MIXLVCHQFMWZJB-UHFFFAOYSA-N 285.351 1.515 0 50 CDAA O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC2(CC1)OCCO2 248512443 BDYZBPLHEXGXCN-RWMBFGLXSA-N 265.353 1.788 0 50 CDAA Cc1cc(CC(=O)N(C)C[C@@H]2CCCCO2)on1 244787835 QENAZJDEKPKVEC-NSHDSACASA-N 252.314 1.553 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccccc1OC1CCC1 299751880 SCTBOPCJHWWSQH-CHWSQXEVSA-N 289.331 1.955 0 50 CDAA O=C(Cc1ccoc1)N[C@H]1CCO[C@@H]1c1cccnc1 299744128 RCVOWECUVACEHI-DZGCQCFKSA-N 272.304 1.864 0 50 CDAA CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@H]1COC[C@H]1c1ccccc1 629255143 UWBONILSBLMQOQ-UKMLZYKCSA-N 289.375 1.646 0 50 CDAA O=C(CN1CCCC1)NCCOc1cccc2cccnc12 534589136 UPQNGAVPHDVLDU-UHFFFAOYSA-N 299.374 1.826 0 50 CDAA CC[C@H](NC(=O)C1(Cn2cccn2)CC1)c1ncnn1C 534657521 PTYDZBVBJIWUJX-NSHDSACASA-N 288.355 1.059 0 50 CDAA Cn1cc(C(=O)N[C@@]2(CCO)CCOC2)c2ccccc21 278078255 MAKXDUVUAWRGPI-INIZCTEOSA-N 288.347 1.450 0 50 CDAA Cc1nn(C(C)C)c(C)c1CNC(=O)c1cnc[nH]1 299792346 FNMBWGJHZWLYHR-UHFFFAOYSA-N 261.329 1.734 0 50 CDAA CC(C)[C@H](NC(=O)Nc1cncc(F)c1)c1ncnn1C 299791021 CWCKJLYJPQTRLY-NSHDSACASA-N 292.318 1.868 0 50 CDAA CC[C@@H](NC(=O)Cn1cc(Cl)c(C)n1)c1nc(C)no1 299766471 OKIGSMIJHFMUIU-SNVBAGLBSA-N 297.746 1.804 0 50 CDAA CN(Cc1ccnn1C)C[C@H]1CCN(C)C1(C)C 823715242 ZFJADAWNPVYYBZ-GFCCVEGCSA-N 250.390 1.582 0 50 CDAA CCCn1cc(S(=O)(=O)N[C@@H](C)c2cnn(C)c2)cn1 823033463 VROPMEDNNOHCCZ-JTQLQIEISA-N 297.384 1.066 0 50 CDAA CCc1csc(CCN[C@@H]2CCNC(=O)CC2)n1 584904033 KAWAZDSJOFFSED-NSHDSACASA-N 267.398 1.506 0 50 CDAA CC(C)(C)NC(=O)NCC1(N)CCC(F)(F)CC1 725255286 YPWNCLUFAWQMEP-UHFFFAOYSA-N 263.332 1.991 0 50 CDAA Cc1csc([C@H](C)NC(=O)c2cncc(=O)[nH]2)n1 584902553 ZHXGOQQAGONYMA-ZETCQYMHSA-N 264.310 1.026 0 50 CDAA 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MPIJKGQMYVLYGH-SECBINFHSA-N 254.305 1.530 0 50 CDAA COCc1cc(C2CN(C(=O)[C@@H]3CC[C@H](C)O3)C2)no1 886084746 DPDGSDSYTXBMON-ZANVPECISA-N 280.324 1.314 0 50 CDAA CO[C@@H]1CCCN(C(=O)Nc2nc(C(C)C)no2)C1 888391981 ZIOYZTSHXOGURK-SECBINFHSA-N 268.317 1.836 0 50 CDAA OC1CCN(c2nc(Br)cs2)CC1 44116783 DHHJOPQBBXJUEG-UHFFFAOYSA-N 263.160 1.867 0 50 CDAA in-vitro CN1C[C@H](O)C[C@@H]1CNC(=O)c1ccc(-c2ccccc2)[nH]1 899700520 COTWBSAWIZHQAR-ZIAGYGMSSA-N 299.374 1.477 0 50 CDAA C[C@@H](N)C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 166377615 TZJQBRDXONMIQE-HIFRSBDPSA-N 275.396 1.014 0 50 CDAA Cc1[nH]ccc1C(=O)NC[C@H]1CC[C@@H](c2nc[nH]n2)O1 1775961642 PJYWXWGMTPHIJI-KOLCDFICSA-N 275.312 1.091 0 50 CDAA Cc1cc(O)nc(NCC2([C@@H](O)C(C)C)CC2)n1 1337098810 CODGGVISDPTRIJ-NSHDSACASA-N 251.330 1.700 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@H]1c1cccn1C 900031694 DFXMHTHSMNUDRC-CQSZACIVSA-N 289.379 1.723 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)C1Cc2ccccc2C1 1565514892 WLIBZTIPXJLHMW-GJZGRUSLSA-N 275.348 1.322 0 50 CDAA CCN(CC)CCNC(=O)c1cc(Br)no1 583651167 ILETUCHKKINPJE-UHFFFAOYSA-N 290.161 1.509 0 50 CDAA Cn1cc(NC(=O)NC[C@H]2CCc3nccn3C2)cn1 275260235 HVGRZYDAMKNJBR-SNVBAGLBSA-N 274.328 1.001 0 50 CDAA CC(C)N1CCN(c2cccc3c2C(=O)N(C)C3=O)CC1 585132920 GUHAVWAWOKLSSB-UHFFFAOYSA-N 287.363 1.443 0 50 CDAA C[C@@H]1CCNC[C@@H]1NC(=O)c1c(F)cc(F)cc1F 86996425 JGJCAMQSEJPZRW-HQJQHLMTSA-N 272.270 1.832 0 50 CDAA C[C@@H]1OCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1CO 170084076 LDVJDIGOWUGOKO-LNSITVRQSA-N 275.348 1.530 0 50 CDAA CCc1nnsc1C(=O)N1CCC[C@](CC)(CO)C1 170085874 KETNLAYEPPECQX-ZDUSSCGKSA-N 283.397 1.725 0 50 CDAA C[C@H](CN1CCCC1=O)NC(=O)c1c(F)ccc(O)c1F 281034116 VSFLHCTXZZHPQA-MRVPVSSYSA-N 298.289 1.411 0 50 CDAA CC(C)N1CCN(C(=O)[C@H](C)NC(=O)C2CCCC2)CC1 408035892 NJYBKTZGAIPVQP-ZDUSSCGKSA-N 295.427 1.234 0 50 CDAA CCc1ncnc(N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)c1F 408170207 DAXOHYBYKQJVHO-UHTWSYAYSA-N 295.358 1.544 0 50 CDAA Cc1nc(C2CC2)oc1C(=O)NS(=O)(=O)C(C)C 408473571 ZPTMVXRNDOREMG-UHFFFAOYSA-N 272.326 1.328 0 50 CDAA CC(C)(C)[C@H](O)Cc1cn(CCc2cccnc2)nn1 641030175 SILLQECHLATKDC-CQSZACIVSA-N 274.368 1.865 0 50 CDAA Cc1cc(C(=O)NC[C@H](CO)c2ccccc2)ns1 225523906 OSRHVJQPLGRXLE-GFCCVEGCSA-N 276.361 1.957 0 50 CDAA Cc1cc(N2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)n[nH]1 190775803 AMMCAUBYRXNBIO-CHWSQXEVSA-N 292.383 1.182 0 50 CDAA NCc1ccc(CNC(=O)c2ccnc(C3CC3)n2)cc1 648202174 FSSJHTVJHIBNMS-UHFFFAOYSA-N 282.347 1.743 0 50 CDAA O[C@@H](Cn1nnc(-c2ccsc2)n1)CC(F)(F)F 193406486 UKTKHRSRCSPHJA-SSDOTTSWSA-N 278.259 1.715 0 50 CDAA O=C(O)C1(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC=CC1 663113685 DQOZDVUQHBFCTR-GFCCVEGCSA-N 278.352 1.008 0 50 CDAA O=C(O)c1cc(C2CCN(C(=O)C3CC3)CC2)[nH]n1 675056974 SMFQDUBIFVWWKE-UHFFFAOYSA-N 263.297 1.224 0 50 CDAA CO[C@H]1CN(C(=O)c2ccco2)C[C@H]1Cc1cc(C)no1 1529152761 WOONFNMZGHDTLD-RISCZKNCSA-N 290.319 1.906 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1ccncc1Cl 344819483 UNIWXVLYCSJYNY-VHSXEESVSA-N 284.743 1.611 0 50 CDAA C[C@H](C(=O)N(CCO)Cc1cncn1C)C1CCCCC1 1704302749 CLUXJQKCUZTSPD-ZDUSSCGKSA-N 293.411 1.957 0 50 CDAA CCNc1ccnc(N2C[C@H](O)[C@H](Cc3ccncc3)C2)n1 1704315591 LIGBBHFTHSNAIO-KGLIPLIRSA-N 299.378 1.343 0 50 CDAA O=C(Cc1cccc2nsnc12)N[C@H]1C[C@@H](C(=O)O)C1 1601367989 RCUGIUDFMWFFSY-DTORHVGOSA-N 291.332 1.213 0 50 CDAA Cc1cc(NS(=O)(=O)c2cnn(C(C)(C)C)c2)n(C)n1 1615587761 KIQJGVYDGKIWBF-UHFFFAOYSA-N 297.384 1.481 0 50 CDAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)Nc3cnn(-c4ccncc4)c3)C[C@@H]21 1615613634 AUOCCSVIDJAMNG-IDTSFGKNSA-N 297.362 1.579 0 50 CDAA COc1ccc(CN2CC3(C2)CN(C)C(=O)O3)c(Cl)c1 496289233 AKYCXEBNOQQCGQ-UHFFFAOYSA-N 296.754 1.985 0 50 CDAA COCCOC1CCN(Cc2cccnc2N)CC1 215226925 FGHIYQFJKIZQPP-UHFFFAOYSA-N 265.357 1.291 0 50 CDAA Fc1ccc(N2CCN(CC[C@H]3COCCO3)CC2)cc1 1775981642 HNKUKQBTRPJYTM-INIZCTEOSA-N 294.370 1.753 0 50 CDAA Cc1nnc(N2CC[C@@H](c3cnccn3)C2)nc1C 1643226202 QVYONQVGJMNPIC-LLVKDONJSA-N 256.313 1.272 0 50 CDAA CC(C)(C)NC(=O)CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21 250722478 VVIYVILYDQALAN-WOPDTQHZSA-N 282.384 1.619 0 50 CDAA Nn1c(S)nnc1-c1ccccc1Br 5731333 JAKRMPFVBCPVRZ-UHFFFAOYSA-N 271.143 1.710 0 50 CDAA C[C@H](O)CNCc1ccc(OCC(=O)NC(C)(C)C)cc1 5911925 JFIOTSHSMHDRTO-LBPRGKRZSA-N 294.395 1.451 0 50 CDAA COc1cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)nc(OC)n1 1857723218 WSPJRHVJYZTFJZ-LBPRGKRZSA-N 299.330 1.764 0 50 CDAA O=C([C@@H]1CCn2nccc2C1)N1CCc2nocc2C1 1857726714 AKLBOVBMSDNYHC-SNVBAGLBSA-N 272.308 1.018 0 50 CDAA CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]cc1C 408520422 DEJRQZARXYTZAW-PWSUYJOCSA-N 264.325 1.785 0 50 CDAA C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]1C(=O)O 238855925 UCZUDAKVCZKMKS-YXCITZCRSA-N 299.326 1.695 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@@H]2[C@H]1C(=O)O 252515499 KMDJCCBSGFKRFR-HGNGGELXSA-N 269.297 1.286 0 50 CDAA in-vitro O=C(CCn1ccnn1)N1CC[C@@H]1c1ccccc1F 374043087 NGGOWNOWIJCGPW-CYBMUJFWSA-N 274.299 1.781 0 50 CDAA CSC[C@@H](C)C(=O)N1CCC[C@@H](n2ccnn2)CC1 585130881 FDZWNNRIQFANJU-VXGBXAGGSA-N 282.413 1.831 0 50 CDAA CCn1c(=O)n(CC(=O)Nc2ccnnc2)c2ccccc21 1129596871 RUZADFWIEUMHAZ-UHFFFAOYSA-N 297.318 1.252 0 50 CDAA Cc1nnc(CNC(=O)C2(c3ccccc3F)CC2)n1C 265587026 JHLMYZNLAABAJA-UHFFFAOYSA-N 288.326 1.611 0 50 CDAA Cc1[nH]nc(C(=O)N2CC(c3ccccn3)C2)c1O 913377927 FVUYSQVHYXLUGC-UHFFFAOYSA-N 258.281 1.058 0 50 CDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)NC[C@H]1CCCO1 613104 PPYCNTFFDCZBAM-LLVKDONJSA-N 299.348 1.151 0 50 CDAA COC[C@@H]1CCCN(C(=O)c2ccc(CN)cc2)C1 225441487 FJGLKOFNLWJLDZ-CYBMUJFWSA-N 262.353 1.644 0 50 CDAA CCOc1cc(CNC)ccc1O[C@H](C)C(=O)NC 4851152 LGRDJVAIQHXGGF-SNVBAGLBSA-N 266.341 1.318 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@H](C2)C3O)O1 253370492 RMGUMGWBSVZTQZ-BWOQGFTMSA-N 253.342 1.173 0 50 CDAA CC1=N/C(=C/c2cc(F)c(O)c(F)c2)C(=O)N1C 145340587 ZDDIJYXDUBFLID-BJMVGYQFSA-N 252.220 1.902 0 50 CDAA NCC[C@H]1CN(Cc2ccc(C(F)(F)F)nc2)CCO1 534591374 ZRWMUVGQOKYMNO-NSHDSACASA-N 289.301 1.650 0 50 CDAA CS(=O)(=O)N1CCC(Oc2ccccc2F)CC1 632638738 WACOFDAODXRLGZ-UHFFFAOYSA-N 273.329 1.629 0 50 CDAA Cc1cccc(S(=O)(=O)NC2CC(C(=O)O)C2)c1F 693394945 SPWBODAFCVXKLF-UHFFFAOYSA-N 287.312 1.276 0 50 CDAA CN1CCN(C(C)(C)CNc2ncc(Cl)cn2)CC1 823789262 ARUILXUSKZGCLH-UHFFFAOYSA-N 283.807 1.568 0 50 CDAA CC1(C)CC(C(=O)N2CCC(c3nnc(O)o3)CC2)=NO1 2325786892 UIALEUOTFRGFPB-UHFFFAOYSA-N 294.311 1.036 0 50 CDAA C[C@@H]1C[C@H](C(=O)Nc2cc(C(C)(F)F)no2)CC(=O)N1 2325789997 BJNYIWMALXFECT-RQJHMYQMSA-N 287.266 1.640 0 50 CDAA O=C(NC1Cc2ccccc2C1)c1cc([C@@H]2CCCN2)[nH]n1 2325797517 BSXDOEYWBDJGJF-AWEZNQCLSA-N 296.374 1.731 0 50 CDAA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239347365 MUCYWRUWPNJXHN-KKOKHZNYSA-N 293.706 1.933 0 50 CDAA C[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1OC1CC1 343895693 XWPKQHQQQMNEII-NSHDSACASA-N 288.347 1.531 0 50 CDAA CSCC[C@@H](NC(=O)c1occc1C)C(=O)O 2487493 YMWOJDLASIWRIA-MRVPVSSYSA-N 257.311 1.524 0 50 CDAA N[C@@H](Cc1c(F)cccc1C(F)(F)F)C(=O)O 2528382 KZEQREVOLXIGHG-QMMMGPOBSA-N 251.179 1.799 0 50 CDAA COC[C@@]12COC[C@@H]1CN(Cc1ncccc1OC)C2 2356144433 XSFAJPABUCDVNI-WFASDCNBSA-N 278.352 1.185 0 50 CDAA CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 4305100 YGYPDMWQAVBSOL-SNVBAGLBSA-N 274.386 1.148 0 50 CDAA CCN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 4568643 HNAVHKWYCQVOKS-UHFFFAOYSA-N 254.280 1.743 0 50 CDAA C[C@H](CNC(=O)c1csc(C(=O)O)n1)C1CC1 227275182 LQNRNNMPRYOWSI-ZCFIWIBFSA-N 254.311 1.617 0 50 CDAA COC(=O)[C@@H]1CN1C(=O)c1cc(C)nc2cc(C)ccc12 55243973 ZNGVPBULTQMNBT-PIVQAISJSA-N 284.315 1.849 0 50 CDAA Cn1nnc2cc([C@H]3CC(=O)Nc4n[nH]cc43)ccc21 65380794 XKHWDLZTVMOVCX-MRVPVSSYSA-N 268.280 1.166 0 50 CDAA Cc1nc(CC(=O)N2CCC[C@H]2Cn2cccn2)cs1 69771187 RZUCKNXIDAQSKT-ZDUSSCGKSA-N 290.392 1.882 0 50 CDAA CCc1nc2n(n1)CCC[C@H]2N1C(=O)NC(C)(C)C1=O 348957577 WARNLGCCTZINPO-MRVPVSSYSA-N 277.328 1.006 0 50 CDAA C[C@H](C(=O)Nc1nccs1)N1CCC2(CCN2)CC1 422641338 XRLDFPZDGXSKPI-SNVBAGLBSA-N 280.397 1.298 0 50 CDAA Cc1cc(N2CCNC(=O)CC2)nc(-c2ccccc2)n1 65425928 NNZFQFNFPKAWGU-UHFFFAOYSA-N 282.347 1.778 0 50 CDAA Cc1cc(N)n(CC(=O)NCCSc2ccccn2)n1 1506395894 PAXXSHOKLVBDFT-UHFFFAOYSA-N 291.380 1.077 0 50 CDAA Cc1nc(COC(=O)[C@@H]2CCC(=O)N2C)sc1C 328596430 PAIVXNYMOCXWEG-VIFPVBQESA-N 268.338 1.424 0 50 CDAA Cc1c(NC(=O)c2ccccc2-c2nc[nH]n2)cnn1C 1506429278 WOBRJHQUFMJDRR-UHFFFAOYSA-N 282.307 1.766 0 50 CDAA Cc1cc(CNc2nccc(N3CC[C@@H](O)C3)n2)cnc1C 65396255 PGHCKBACIPKWCK-CQSZACIVSA-N 299.378 1.672 0 50 CDAA COc1cccc(-c2n[nH]c(=O)n2Cc2ccco2)c1 65404542 NXYVZPCSQUTICX-UHFFFAOYSA-N 271.276 1.888 0 50 CDAA CC(C)O[C@H](C)c1nnc(SCC(=O)O)n1C 65397072 CNRTZWARJKMRGH-SSDOTTSWSA-N 259.331 1.478 0 50 CDAA C[C@H]1c2nncn2CCN1C(=O)[C@H]1CCOc2ccccc21 330166215 VAWVVSXUASYABM-AAEUAGOBSA-N 298.346 1.748 0 50 CDAA CC(C)(C)OC(=O)N1Cc2cccn2C[C@@H](O)C1 306133335 MIQDTHRSKHBIRP-LLVKDONJSA-N 252.314 1.600 0 50 CDAA O=C1CCC(=O)N1CCSC(=S)N1CCCC1 293968 VIWJXMRPIZCGMS-UHFFFAOYSA-N 272.395 1.249 0 50 CDAA biogenic O=S1(=O)C[C@@H](N2CCC(c3ccccc3)CC2)[C@@H](O)C1 1059222 VIFMKLYRCXCLCL-CABCVRRESA-N 295.404 1.024 0 50 CDAA CCN1CCCC[C@@H]1CNC(=O)Cc1cc(C)no1 219626456 SNKAMSCVSVRNNG-GFCCVEGCSA-N 265.357 1.516 0 50 CDAA CC[C@@H](C)[C@H](NCc1nnnn1C(C)(C)C)C(=O)OC 362189274 JKJMVDNYJDJQKF-KOLCDFICSA-N 283.376 1.105 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@@H](n2ccnn2)C1 333316143 SVWYWYPJHRZEEO-REWJHTLYSA-N 290.367 1.399 0 50 CDAA N=C(O)c1c[nH]c(C(=O)N2CCCC[C@@H]2c2ncon2)c1 331529051 DPBSQRWBPAINTQ-SNVBAGLBSA-N 289.295 1.648 0 50 CDAA Nc1nc(-c2ccc(N3CCNCC3)cc2)c2nc[nH]c2n1 32593218 VOTDLNYAQFFVPU-UHFFFAOYSA-N 295.350 1.012 0 50 CDAA CC[C@@H](C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)n1cccn1 219562070 GOUBHVAIIXPZFF-ZDUSSCGKSA-N 299.334 1.320 0 50 CDAA CC(C)CN1CCN(C(=O)c2ccon2)[C@@H](C)C1=O 77323102 HLLQUPMDSJPLOK-JTQLQIEISA-N 265.313 1.004 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 334371859 QNNMMNYSASFZLW-STQMWFEESA-N 275.283 1.497 0 50 CDAA CC(C)[C@H](NC(=O)CCS(C)(=O)=O)c1ccccn1 76457464 JAVCLMVQOHFQGL-ZDUSSCGKSA-N 284.381 1.330 0 50 CDAA C[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C(N)=O 284622101 PCHXAHMSNTZJIQ-PSASIEDQSA-N 282.290 1.087 0 50 CDAA O=C(CCc1ccc(C(=O)O)cc1)NN1CCCCC1=O 238069484 MCELPYBAXLBNHJ-UHFFFAOYSA-N 290.319 1.361 0 50 CDAA Cc1nccc(C2CCN(C(=O)c3cnco3)CC2)n1 72364612 AAQICEIDFWLOQH-UHFFFAOYSA-N 272.308 1.793 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCc2ccc(C)cc21 858918563 WLSFZQIYZXRXGX-UHFFFAOYSA-N 258.321 1.529 0 50 CDAA Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)cc(C)n1 215518339 ZBXKHXVQOIUOEB-HNNXBMFYSA-N 275.396 1.857 0 50 CDAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CN2CCC1CC2 240540881 GPXXOKMAIMUDTG-YUELXQCFSA-N 277.412 1.023 0 50 CDAA CC(C)NCCN1CCC(OC2CCOCC2)CC1 241435203 NLQFUVGVEVATFS-UHFFFAOYSA-N 270.417 1.644 0 50 CDAA CCOC(=O)c1ccc(C(=O)NC[C@H]2CCCOC2)nc1 339044276 MDNJXDWXDSVGSY-LLVKDONJSA-N 292.335 1.415 0 50 CDAA c1cncc(-c2noc(Cn3ccnc3[C@H]3CCOC3)n2)c1 71760216 DEYVVURLDRZSOZ-LBPRGKRZSA-N 297.318 1.880 0 50 CDAA CC(C)Nc1ncc(C(=O)N2CCn3cncc3C2)cn1 72171413 ULGCCQRWHPEDLV-UHFFFAOYSA-N 286.339 1.149 0 50 CDAA CC(C)(C)c1n[nH]c(CNC(=O)[C@](C)(O)C2CCC2)n1 458030671 QLQLICJYKHAFKM-CQSZACIVSA-N 280.372 1.270 0 50 CDAA COc1ccc(-c2nc(N)c3cnn(C)c3n2)cc1F 214993568 DEDLAFHHSWVYRG-UHFFFAOYSA-N 273.271 1.760 0 50 CDAA COc1cccc(SCC(=O)N2CCOC[C@@H](O)C2)c1 77355963 HQSCFWSOUSTXNL-NSHDSACASA-N 297.376 1.007 0 50 CDAA COCc1ccccc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 285363609 FBIWQIGRGCGDJS-ZWNOBZJWSA-N 276.336 1.026 0 50 CDAA COC[C@H]1CN(C(=O)c2ccoc2)CC(C)(C)O1 285510724 NQUDYIPRQAIADI-LLVKDONJSA-N 253.298 1.546 0 50 CDAA C/C=C/Cc1nnc(C(=O)N2CCN3CCC[C@H]3C2)o1 71715219 LTKYDKBRQOILFR-VUDBWIFFSA-N 276.340 1.108 0 50 CDAA CC(C)CN1CCN(Cc2ccoc2)[C@H](CCO)C1 42917335 TYQLEBGYFUCJNH-OAHLLOKOSA-N 266.385 1.804 0 50 CDAA O=C(Cn1ccnc1)N(Cc1ccncc1)C1CC1 220250151 FWYZOWVAEPDYOR-UHFFFAOYSA-N 256.309 1.469 0 50 CDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cnccn2)C1 221414318 LKETZUNNUOPNHD-LBPRGKRZSA-N 296.330 1.607 0 50 CDAA Cc1nn(C)cc1CN(CCO)Cc1ccc(F)cc1 222923066 IQEOTNCSOYPRHO-UHFFFAOYSA-N 277.343 1.862 0 50 CDAA C[C@@H](CCC(=O)NCCc1cn[nH]c1)N1CCCC1 426689965 VFIJNLZKUDFQJR-LBPRGKRZSA-N 264.373 1.333 0 50 CDAA CNCc1nnc(SCc2cc(C(C)C)no2)n1C 426541397 NOZWCSCICODSFU-UHFFFAOYSA-N 281.385 1.938 0 50 CDAA O=C1CC[C@H](C(=O)N2CCCN(c3ccccc3)CC2)N1 82092553 CNWHGMBHSBOJDE-CQSZACIVSA-N 287.363 1.004 0 50 CDAA Cc1cc(=O)c(C(=O)NCCCc2ccccn2)cn1C 426582712 AYOPMGBWBKUYEB-UHFFFAOYSA-N 285.347 1.451 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)N1CCN(C(C)C)CC1 426477175 HSFNXYLZYJKGSJ-LLVKDONJSA-N 293.415 1.823 0 50 CDAA O=C(C[C@@H]1COCCN1)NCc1ccc2c(c1)CCCC2 97694792 UFTNVDXTNLJFJG-MRXNPFEDSA-N 288.391 1.560 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CC[C@](C)(O)C(C)(C)C2)o1 91616896 QAHDKUNWLVNGJM-HNNXBMFYSA-N 279.336 1.571 0 50 CDAA O=C(C1CCOCC1)N1CCC[C@](CC2CC2)(C(=O)O)C1 92038329 ZICOZQKDMFHTNM-MRXNPFEDSA-N 295.379 1.907 0 50 CDAA NC[C@H]1CCCN1C(=O)COc1ccc(F)cc1 238036849 IJTFZOLBIHLYFL-LLVKDONJSA-N 252.289 1.154 0 50 CDAA O=C(O)CCN1CCn2nc(Cc3ccccc3)cc2C1 97815137 CZGUGXKPQXJGOV-UHFFFAOYSA-N 285.347 1.764 0 50 CDAA CN1CCC[C@]2(CCN(C(=O)c3ccc[nH]3)C2)C1=O 91441334 DTBSGYYXQLWSIT-CQSZACIVSA-N 261.325 1.099 0 50 CDAA N[C@H]1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 91726134 WLDMWGNSALAHMJ-JTQLQIEISA-N 261.300 1.200 0 50 CDAA CCCn1cnnc1CN(C)c1ncnc(C)c1C 91256019 NVRJQMXJCYAUKR-UHFFFAOYSA-N 260.345 1.731 0 50 CDAA CC(C)(C)OC(=O)N1CCc2[nH]c(CO)nc2C1 91304218 ZQGIKTNTILAAFH-UHFFFAOYSA-N 253.302 1.195 0 50 CDAA O=C(NC1Cc2ccccc2C1)[C@H]1CC(=O)N(C2CC2)C1 91350711 KDSZLERBDQKOQL-ZDUSSCGKSA-N 284.359 1.281 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 239415309 UDUGSHGYQZDWDK-PUHVVEEASA-N 291.328 1.115 0 50 CDAA Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)o1 238899680 HATRFMKTIKBZFA-UHFFFAOYSA-N 282.344 1.872 0 50 CDAA Cc1cc(CNC(=O)C[C@@H]2NC(=O)c3ccccc32)n(C)n1 97307669 BCOWOBOORLKCOF-AWEZNQCLSA-N 298.346 1.220 0 50 CDAA COc1ccc(Cl)cc1CNC(=O)[C@@H]1C[C@@H]1C(=O)O 268885772 GFJKKWAZHCHGNW-ZJUUUORDSA-N 283.711 1.686 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 269186627 MQLWLRGSHKDTSS-CYBMUJFWSA-N 299.330 1.478 0 50 CDAA CCCSCC(=O)NCc1cc(O)nc(C)n1 244594089 DGFQSHWAKJALSJ-UHFFFAOYSA-N 255.343 1.250 0 50 CDAA C[C@@H](C(=O)NC1CCCC1)N(C)Cc1n[nH]c2c1CCC2 244899980 ZTTWTOQITILUBX-NSHDSACASA-N 290.411 1.778 0 50 CDAA CC(C)OCC(=O)N[C@@H](c1nccn1C)C1CC1 341702779 BQNNWJFZNMSSIB-GFCCVEGCSA-N 251.330 1.412 0 50 CDAA Cc1cc(=O)c(OCC(=O)Nc2ccc3nc[nH]c3c2)c[nH]1 524735590 MBQVXZNAZHVNOE-UHFFFAOYSA-N 298.302 1.577 0 50 CDAA CC(C)Cn1cncc1CNC(=O)[C@@H](C)Cn1cncn1 244858577 VNQXPEJHUITTOT-LBPRGKRZSA-N 290.371 1.083 0 50 CDAA Cc1nc(NC(=O)CCc2nc(O)c3ccccc3n2)n[nH]1 252492324 MIYMDVUGBHUVBA-UHFFFAOYSA-N 298.306 1.333 0 50 CDAA Cc1c(-c2ccc(Cl)cc2)nnn1CCC(N)=O 864096042 WIPIQSKKGQLLHS-UHFFFAOYSA-N 264.716 1.782 0 50 CDAA CN(CCC(=O)O)C(=O)c1ccc(N2CCCC2)c(F)c1 299751169 PTUTUUMIWHJCHR-UHFFFAOYSA-N 294.326 1.973 0 50 CDAA Fc1cccc(F)c1-c1nc(CN[C@@H]2CCOC2)no1 534586814 ABVBVEPPWOPNQL-MRVPVSSYSA-N 281.262 1.893 0 50 CDAA Nc1nnc(CNC(=O)CCC(F)(F)F)s1 534592183 MDRQBEGULYMKGF-UHFFFAOYSA-N 254.237 1.079 0 50 CDAA C[C@H](NC(=O)NC1(C(N)=O)CCCC1)c1ccsc1 534649261 ALQHZESIQQDHJZ-VIFPVBQESA-N 281.381 1.906 0 50 CDAA Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@H](C(=O)O)C1 263564829 FDVUNLKLQFOXIO-VIFPVBQESA-N 265.313 1.388 0 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COc1ccc(CN2CCC(O)(c3ccccn3)CC2)cn1 670460084 LSIKEYMSBKKNPV-UHFFFAOYSA-N 299.374 1.969 0 50 CDAA C/C(=C\c1ccccc1)CN1CC[C@]2(C1)NC(=O)N(C)C2=O 271171593 MFSJXEWOQNPMMY-JIIJFUIFSA-N 299.374 1.716 0 50 CDAA Cc1cc(CNC(=O)N2C[C@@H]3CC[C@]3(N)C2)ccn1 1553483881 ISPUECKKBXMWLI-JSGCOSHPSA-N 260.341 1.023 0 50 CDAA COC1(CNC(=O)c2cnn3c(C)ccnc23)CCC1 1875316806 HQXAKRFZJSFDKG-UHFFFAOYSA-N 274.324 1.337 0 50 CDAA O=C1COCc2cc(-c3cnc4cncn4c3)ccc2N1 1875349041 KWUDMHSOAWLRLB-UHFFFAOYSA-N 280.287 1.865 0 50 CDAA O=S(=O)(Nc1ccon1)c1ccc2c(c1)OCC2 1875332810 MAMXOWOKOUSKRQ-UHFFFAOYSA-N 266.278 1.410 0 50 CDAA Cn1nc(-c2ccc(F)c(C(F)(F)F)c2)n(C)c1=O 952884099 XHVYPJGWBJFPFN-UHFFFAOYSA-N 275.205 1.944 0 50 CDAA Cc1noc(C[C@]2(O)CCCN(Cc3conc3C)C2)n1 886091787 VENOAMNJALRCEG-CQSZACIVSA-N 292.339 1.244 0 50 CDAA CN1CC2CC1(CNC(=O)CCc1cccc(O)c1)C2 1775998523 DPUKWWCBVKDIHM-UHFFFAOYSA-N 274.364 1.535 0 50 CDAA CC(C)[C@@H](CNCc1nc(CO)n[nH]1)c1ccccc1 1413172792 CHELYHBGHPQPSZ-CYBMUJFWSA-N 274.368 1.826 0 50 CDAA CCn1nc(C)c(CNC(=O)[C@](C)(O)C2CCC2)c1C 1362114730 OMFXEVVALZFNHO-OAHLLOKOSA-N 279.384 1.687 0 50 CDAA O=C(O)CC1CCN(c2ccc(Cl)nn2)CC1 61715012 WTOBZOQGDVFZNB-UHFFFAOYSA-N 255.705 1.821 0 50 CDAA in-vitro NC(=O)c1cnc(N2CCC3(CCOC3)CC2)c(Cl)c1 672274525 ZUNROEHICKOBBM-UHFFFAOYSA-N 295.770 1.841 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)C2CCC2)C1(C)C 170090039 FCWQMEKTUDGHDA-SMDDNHRTSA-N 255.358 1.469 0 50 CDAA CC(C)N(C)C(=O)[C@H](C)[S@](=O)[C@H]1CCO[C@H]1C 170689388 OMIFODNRPZJKHM-YBIKONCISA-N 261.387 1.168 0 50 CDAA O=S1(=O)CCN(Cc2nccs2)Cc2ccccc21 186537907 PRKLXJKULPPHEU-UHFFFAOYSA-N 294.401 1.933 0 50 CDAA COc1ccc(F)cc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074565966 FUQMPMIMOROYBA-UFGOTCBOSA-N 265.284 1.742 0 50 CDAA Cc1cccc(N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 583615036 TVEZZURPSQEDLK-HNNXBMFYSA-N 287.367 1.660 0 50 CDAA CC[C@@H](N=c1[nH]ccn2cnnc12)[C@@H]1CCCCO1 585091348 VAVDZHZOQOOQIP-MNOVXSKESA-N 261.329 1.306 0 50 CDAA N=c1nc2c(c[nH]1)CCN(Cc1cccc(F)c1)C2 585116006 DDQRWMCWZCYMSD-UHFFFAOYSA-N 258.300 1.587 0 50 CDAA COC(=O)c1cc(CNC(=O)[C@H](C)CSC)ccn1 585130803 CHXIGRPBXKFWKU-SECBINFHSA-N 282.365 1.484 0 50 CDAA O=C(OC[C@@H]1CC[C@@H]2O[C@@H]2C1)[C@@H]1CC[C@H]2O[C@@H]2C1 100004188 YXALYBMHAYZKAP-OJEZURLMSA-N 252.310 1.665 0 50 CDAA in-vitro CC(C)C[C@H]1COCCN1c1nccn2cnnc12 408085673 BTDUTLYGTYXFMB-NSHDSACASA-N 261.329 1.376 0 50 CDAA CCc1nnsc1C(=O)N1CCC(CC(=O)O)CC1 110301427 QWZFAHPIERDRDZ-UHFFFAOYSA-N 283.353 1.427 0 50 CDAA Nc1nnc(CCNC(=O)[C@H]2CCc3ccccc32)o1 225465933 IHYSQJZVNZJJSS-NSHDSACASA-N 272.308 1.041 0 50 CDAA CO[C@H](CC(=O)N1CCC[C@H](C(=O)O)C1)C(F)(F)F 652050533 FNNDSBUYPYHLFA-JGVFFNPUSA-N 283.246 1.277 0 50 CDAA COc1ccc2c(c1)CN(c1ncnc3c1CN(C)CC3)C2 656222614 MKCSQSPDEZVQQP-UHFFFAOYSA-N 296.374 1.993 0 50 CDAA CO[C@@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)C1 662443061 ZEWFXQQEGFVEEW-UKRRQHHQSA-N 274.364 1.858 0 50 CDAA COCC1(C(=O)O)CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 668284183 FICPUFZBZCYXBY-NEPJUHHUSA-N 299.367 1.141 0 50 CDAA Cc1cnc(CN2CCCN(Cc3ccccn3)CC2)cn1 1506418109 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COc1ccc(N(C)Cc2scnc2C)nn1 1615614919 RSBWDDXPLARRMN-UHFFFAOYSA-N 250.327 1.887 0 50 CDAA C[C@@H](NC(=O)OCC1CC1)[C@@H](CCC(=O)O)C(=O)O 1616038677 IZBXWBVYSDRJLZ-VXNVDRBHSA-N 273.285 1.077 0 50 CDAA CN1CCCC[C@H]1CC(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775983517 ZECMNSWEAHUMMA-CRWXNKLISA-N 266.385 1.090 0 50 CDAA CS(=O)(=O)N(CC(N)=O)c1cccc(Cl)c1Cl 5676525 IMUAIMBLKYQBMZ-UHFFFAOYSA-N 297.163 1.245 0 50 CDAA O=C(N[C@H]1CC(=O)N(CCc2ccccc2)C1)C1CC1 15073543 WNBACJJLLGLYFJ-AWEZNQCLSA-N 272.348 1.356 0 50 CDAA COc1cccc(NC(=O)C[C@H]2SC(=N)NC2=O)c1 18136954 UOAFXFFBVLYQIC-SECBINFHSA-N 279.321 1.190 0 50 CDAA COC(=O)[C@@H](Cc1c(F)ccc(F)c1F)NC(C)=O 169801146 IOUUKCKZALPUCA-SNVBAGLBSA-N 275.226 1.324 0 50 CDAA CN(CC[C@@H](O)c1ccccc1)c1nc(C(=O)O)nn1C 1857670553 UPOAIHCNUMNRMR-LLVKDONJSA-N 290.323 1.073 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ncc[nH]3)n[nH]c21 1857528567 CJYJROGXDLDCBV-SFYZADRCSA-N 275.312 1.085 0 50 CDAA NC1(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)CCCC1 1857694087 ABSKOJJNDQRKDY-OAHLLOKOSA-N 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PMQKXUKDTTUWLD-NSHDSACASA-N 291.376 1.957 0 50 CDAA Cc1nnc(CCNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)s1 1565512104 FEZIVCVJFZAOLV-AXFHLTTASA-N 263.366 1.717 0 50 CDAA N[C@H]1CCN(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1O 1565509410 MOGKXRYTYQXIMQ-RDJZCZTQSA-N 283.375 1.643 0 50 CDAA Cc1c[nH]c(C(=O)N2C[C@H](C(C)C)[C@@H](N(C)C)C2)n1 1565529741 TZMPIXOXQFETMX-NEPJUHHUSA-N 264.373 1.376 0 50 CDAA Cc1cc(CCC(=O)N[C@@H]2CCCSC2)n[nH]1 1569662956 DHFIOYIODBBKOJ-LLVKDONJSA-N 253.371 1.663 0 50 CDAA O=C1CC(Cc2ccccc2)=NN1[C@@H]1CCCOC1 634622655 LJHOPSIOIHIPIV-CQSZACIVSA-N 258.321 1.996 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1ncccc1O 277268154 GVWOKHGEDQLFEO-KOLCDFICSA-N 250.298 1.931 0 50 CDAA CC(C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)C(N)=O)c1 170609681 OSGCJLNEHTWOBU-VIFPVBQESA-N 292.339 1.276 0 50 CDAA CNC(=O)C1(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 408093041 NDXJZSBOXZXKNK-JHJVBQTASA-N 278.396 1.988 0 50 CDAA CC1(C)CN(C(=O)Cn2cnnn2)CC[C@@H]1C(F)(F)F 408344194 VZYSFQIMJDMMTA-QMMMGPOBSA-N 291.277 1.110 0 50 CDAA C[C@H](CN1C[C@@H](O)C[C@H]1CO)c1cccc(Cl)c1 188568891 FVIJBWIQYISCDT-SWHYSGLUSA-N 269.772 1.871 0 50 CDAA COC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 224567042 WPDXRPYSEXVGRU-HBNTYKKESA-N 257.330 1.371 0 50 CDAA COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(CCC(C)(C)C)CC1 225537518 FHRISEFHPVKZIU-STQMWFEESA-N 296.411 1.376 0 50 CDAA CN(C)C(=O)c1cc(N2CCC(c3cn[nH]c3)CC2)ccn1 742398975 LXFDTHGCMIXIDJ-UHFFFAOYSA-N 299.378 1.891 0 50 CDAA Cc1cc(COCC(=O)N2C[C@@H]3[C@@H](C2)C3(C)C)on1 193692801 AJCFTGSRVCAHEK-VXGBXAGGSA-N 264.325 1.614 0 50 CDAA CCN1CCCN(C(=O)N[C@@H]2C[C@H]2C2CCC2)CC1=O 574513877 MHMKALJVOOBLJA-QWHCGFSZSA-N 279.384 1.439 0 50 CDAA CC(C)=CCCNC(=O)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 663223770 FQIBIGRBXFIUQW-QWHCGFSZSA-N 280.368 1.539 0 50 CDAA Cn1cnc(N2CCC[C@H](CC(F)(F)F)C2)cc1=O 574770740 LVMQFHWZHZOTKT-SECBINFHSA-N 275.274 1.949 0 50 CDAA C[C@H](NC(=O)c1ccn(C)n1)c1cc2n(n1)CCCC2 585126976 MOMMLEDCWUOXML-JTQLQIEISA-N 273.340 1.444 0 50 CDAA CO[C@@H](C)c1nnc(NC(=O)c2ccnn2C)s1 1529113421 YSBZHZAQVCSMNI-LURJTMIESA-N 267.314 1.231 0 50 CDAA Cc1cc(C[C@@H]2CN(C(=O)C3CCC3)C[C@@H]2O)on1 1529120626 GDDHDXXPVFUXDS-YPMHNXCESA-N 264.325 1.145 0 50 CDAA CCN(C)c1ccnc(N2CCC[C@H](NC(C)=O)C2)n1 1704303347 HVISCKLAOQSAMN-LBPRGKRZSA-N 277.372 1.038 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1 253361 SDVRHBZKQUBIEG-UHFFFAOYSA-N 296.392 1.238 0 50 CDAA O=C(O)[C@]12CN(Cc3ccc(F)c(F)c3)C[C@@]1(C(=O)O)C2 1704316107 VUYYAWHCMVWXFU-OKILXGFUSA-N 297.257 1.326 0 50 CDAA CN(c1ccn(C)n1)S(=O)(=O)CCC1CCCC1 333743666 WIOPYMPEBHAZNK-UHFFFAOYSA-N 271.386 1.766 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)CCc2cscn2)C1 136116785 MTHRLPUXGBNIPG-VIFPVBQESA-N 268.338 1.399 0 50 CDAA Nc1ccn2ncc(C(=O)N[C@]34CCC[C@H]3OCC4)c2c1 1615545183 FTRDBNUDJBKHGL-HIFRSBDPSA-N 286.335 1.358 0 50 CDAA CCc1nocc1C(=O)NC(C)(C)[C@@H](O)C(F)(F)F 1615547270 GPJSWDNDJXODKP-SECBINFHSA-N 280.246 1.669 0 50 CDAA Cn1cc(CN(C(=O)C[C@H]2CCCO2)C2CC2)cn1 1615587204 VIGJOYPNQRBJBG-CYBMUJFWSA-N 263.341 1.480 0 50 CDAA Cc1cncc(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)c1 1615044894 MWFKQKBXLQJUJL-GXTWGEPZSA-N 274.368 1.948 0 50 CDAA CSCC(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1616085497 XRXMEKRXIUXFNM-RYUDHWBXSA-N 266.366 1.118 0 50 CDAA COc1cc(Cl)cc(C(=O)N2C[C@H](O)[C@@H](F)C2)c1 1616107774 KKUFKTFORIDXMQ-QWRGUYRKSA-N 273.691 1.503 0 50 CDAA COC[C@@]1(C)NC(=O)N(Cc2sc(C)nc2C)C1=O 266361407 ZIAWDZWGPMPSQE-GFCCVEGCSA-N 283.353 1.217 0 50 CDAA c1ccc2c(c1)Cn1c(nnc1CN1CCOCC1)CO2 1772811413 VBEKRDIYEYGGNX-UHFFFAOYSA-N 286.335 1.051 0 50 CDAA Cn1ccnc1SCC(=O)Nc1ccccc1C(N)=O 5359839 HVZHETPZKXYHBK-UHFFFAOYSA-N 290.348 1.250 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(C)c1 11566167 AYCHXAAGHQHEIZ-NSHDSACASA-N 257.355 1.353 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)n1cccn1 11614083 XLKIBEAXOJWFRG-UHFFFAOYSA-N 252.295 1.437 0 50 CDAA O=C(Cn1cccn1)N[C@H]1CCCN(Cc2ccccn2)C1 11936920 NGQWAOLZONYBLM-HNNXBMFYSA-N 299.378 1.059 0 50 CDAA Cc1sc2ncc(C(=O)NC3CC3)c(=O)n2c1C 16650654 FQXBLTJUMOSMMZ-UHFFFAOYSA-N 263.322 1.265 0 50 CDAA Cc1[nH]nc2c1CN([C@H]1CCOC3(CCNCC3)C1)CC2 1857676082 JPSQYHOWKOELSL-ZDUSSCGKSA-N 290.411 1.377 0 50 CDAA Cc1c(C(=O)NCc2n[nH]c3c2CCC3)nc2ccccn12 1857698492 USTBQVIHMFVJHA-UHFFFAOYSA-N 295.346 1.785 0 50 CDAA O=C(c1cnn2ccncc12)N(CC1CC1)CC1CC1 329274752 JOIDZAKSOLYMEB-UHFFFAOYSA-N 270.336 1.992 0 50 CDAA CO[C@@H]1CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 331757258 ADWLJKACUPPPOM-CYBMUJFWSA-N 272.308 1.128 0 50 CDAA CC(C)=CCN1CCC[C@](O)(CC(=O)N(C)C)C1 643754052 SBHWZALJQSHRBL-AWEZNQCLSA-N 254.374 1.258 0 50 CDAA CCn1cc(C2CCN(C(=O)[C@H]3CCC[C@H]3N)CC2)cn1 237017786 WEKUEKQYHBWGQF-LSDHHAIUSA-N 290.411 1.736 0 50 CDAA CSCC[C@H](C(=O)O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 238856565 WGKQAQJOMIDECZ-OPRDCNLKSA-N 285.365 1.368 0 50 CDAA in-vitro C[C@]1(C(=O)O)CCCN1Cc1ccc(-n2ccnc2)nc1 846273264 VBKRVGSEZKMZHZ-OAHLLOKOSA-N 286.335 1.706 0 50 CDAA O=C(O)/C=C/C(=O)Nc1ccccc1OC(F)F 4755032 OAECEPJUBDWSIC-AATRIKPKSA-N 257.192 1.867 0 50 CDAA Cc1ncc(CN2CCOc3ccccc3[C@@H]2C(=O)O)cn1 903930898 KAXDBKCJQAAMQB-OAHLLOKOSA-N 299.330 1.805 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)c1cc2n(n1)CCCC2 923194795 RTYTZSGQGPVZNP-KXNHARMFSA-N 289.335 1.058 0 50 CDAA O=C(c1ncnc2ccsc12)N1CCc2nc[nH]c2C1 929079224 GFRSOKMMPLUQSS-UHFFFAOYSA-N 285.332 1.613 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H]1CCc2cc(C)ccc21 858746454 ZJEKVLFJHNSLCK-AWEZNQCLSA-N 272.348 1.743 0 50 CDAA C=CC(=O)N(C)CC(=O)N1Cc2ccccc2[C@H]1C 859790059 AZWJBHLYOSYSEC-LLVKDONJSA-N 258.321 1.734 0 50 CDAA NC[C@H]1CCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 226279587 KBEYTLNCERZJNI-GFCCVEGCSA-N 273.336 1.135 0 50 CDAA COc1ccc(F)cc1[C@@H](C)NC(=O)C1(C(=O)O)CC1 118990154 BATNKSFEFOEHOZ-MRVPVSSYSA-N 281.283 1.876 0 50 CDAA O=C(Cc1c(F)cccc1Cl)NC[C@]1(O)CCOC1 229676737 WZROOYMPBGEOLS-CYBMUJFWSA-N 287.718 1.289 0 50 CDAA CC(C)(C)NC(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 230042061 VVIYVILYDQALAN-SRVKXCTJSA-N 282.384 1.619 0 50 CDAA CCn1nc(C)c(CN2CCC[C@@H]2CCO)c1C 97772851 MRWLWLQEVQBVPZ-CYBMUJFWSA-N 251.374 1.867 0 50 CDAA C[C@@H]1CCCN[C@@H]1CNC(=O)CC[C@H]1CCOC1 401255959 AOTSVQLDPUHNQO-FRRDWIJNSA-N 254.374 1.307 0 50 CDAA C[C@H]1CCCN(C(=O)c2cnn3c2CCC3)[C@H]1C(=O)O 333612520 SFFLHPODYOSZHD-JOYOIKCWSA-N 277.324 1.155 0 50 CDAA C[C@]1(CCc2ccccc2)OC(=O)N(CCO)[C@]1(C)O 117342 GAIQAKANDCYZFW-HUUCEWRRSA-N 279.336 1.531 0 50 CDAA CSc1ncccc1NC(=O)[C@@H]1CCCN1C(C)=O 2100534718 VPSKBMOXUBGUTK-NSHDSACASA-N 279.365 1.753 0 50 CDAA Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2CC2(C)C)n1 121066133 HCRDMDADVVNLIM-UWVGGRQHSA-N 265.313 1.324 0 50 CDAA COc1cc(C)ccc1S(=O)(=O)N1CCCC1 79856 FVZRZNWXTPTMCX-UHFFFAOYSA-N 255.339 1.788 0 50 CDAA NC(=O)[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 757250 WUYXDWVKDYOUBK-SECBINFHSA-N 254.280 1.662 0 50 CDAA CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2554984 PHJDCONJXLIIPW-MRVPVSSYSA-N 289.328 1.696 0 50 CDAA in-vitro Cn1ncc2cc(-c3nc(-n4ccnc4)n[nH]3)ccc21 2356137605 RHWOMYTXRRQNPJ-UHFFFAOYSA-N 265.280 1.544 0 50 CDAA C[C@H]1CN(S(=O)(=O)NCCC[Si](C)(C)C)CCO1 225828727 GBFPZLJHZMLDLL-NSHDSACASA-N 294.493 1.270 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1cccc2ncsc12 2356151778 YSZYQZVNLPURTA-JQWIXIFHSA-N 292.360 1.830 0 50 CDAA O=C(CCc1ccccc1)O[C@@H]1CCS(=O)(=O)C1 4954808 LTEONMOBQDXPLW-GFCCVEGCSA-N 268.334 1.350 0 50 CDAA O=C(O)c1cc(/C=C/c2cnc3ccccn23)ncn1 134671294 WUYDGLSMRIWWNY-SNAWJCMRSA-N 266.260 1.993 0 50 CDAA C[C@@]1(C(=O)O)[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 100878111 YNJJBKGMDPSRKI-OQUILHJVSA-N 299.326 1.443 0 50 CDAA Nc1ccc([C@H]2C=NN(CCc3ccccn3)C2=O)cc1 22014591 ZBCCEXWRJUPFQX-OAHLLOKOSA-N 280.331 1.818 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)/N=c1/cc(C)cc[nH]1 36638855 NYCLNCWBOATYIX-UHFFFAOYSA-N 292.360 1.930 0 50 CDAA COc1cc(S(=O)(=O)NCC(C)C)c(OC)cc1C 36638869 HHIFWKWQVUMMQK-UHFFFAOYSA-N 287.381 1.947 0 50 CDAA CN(CCN1CCCCCC1)Cc1cnc(N)nc1 67850508 LELNCNNJFDOICR-UHFFFAOYSA-N 263.389 1.367 0 50 CDAA Cc1nnc(CN(C)c2ncc(F)c(N3CCCC3)n2)o1 65453219 ALEXQMLRVXVNJN-UHFFFAOYSA-N 292.318 1.544 0 50 CDAA COc1ccc(CN2CC[C@H](O)C[C@@H]2C(=O)O)c(C)c1C 65398829 DTEHJHYZMFFKAQ-UONOGXRCSA-N 293.363 1.722 0 50 CDAA CC(C)(C)OC(=O)C[C@H]1C[C@@H](CO)OC(C)(C)O1 22001527 CFRUAOXMCVQMFP-ZJUUUORDSA-N 260.330 1.621 0 50 CDAA in-vitro CCn1ncnc1CN(C)C[C@H]1COc2ccccc2O1 67935468 LSDQJIMTVVPNMI-LBPRGKRZSA-N 288.351 1.570 0 50 CDAA O=C([C@@H]1CCCC(F)(F)C1)N1CCOC[C@]12CCOC2 253395892 UPUJFMYLEGLEEQ-DGCLKSJQSA-N 289.322 1.830 0 50 CDAA O=C(O)CCCC(=O)Nc1ccc(CC(=O)O)cc1 214733 KCQGYPGOPDEMBG-UHFFFAOYSA-N 265.265 1.507 0 50 CDAA CCNc1cc(N2CCOCC2)nc(SC)n1 1402797 ZXSXUUMZGWNWDZ-UHFFFAOYSA-N 254.359 1.467 0 50 CDAA O=C(CC1CCCCC1)NCCN1C(=O)CCCC1=O 330910509 VLGVKNDUSWDWBT-UHFFFAOYSA-N 280.368 1.612 0 50 CDAA CN1CCN(C(=O)NCCSc2ccccc2)CC1=O 153041182 COXNTAPLKKBWDK-UHFFFAOYSA-N 293.392 1.262 0 50 CDAA CCc1noc(CC)c1CC(=O)NCCn1ccnc1 153767909 ZDYDPLONJFIXOE-UHFFFAOYSA-N 276.340 1.355 0 50 CDAA O=C1CCCCN1[C@H]1CCCN(CC2(O)CCOCC2)C1 362153311 FVKZEOBPQVDENF-AWEZNQCLSA-N 296.411 1.005 0 50 CDAA Cc1n[nH]c(C)c1CN(C)[C@@H](C)Cc1cnccn1 215992581 ZQAZZEUKICDJDN-JTQLQIEISA-N 259.357 1.880 0 50 CDAA CC[C@@H](C(=O)O)N(c1ccc(C)c(C)c1)S(C)(=O)=O 39315697 WXEFSMPZSSTVDD-LBPRGKRZSA-N 285.365 1.933 0 50 CDAA NC(=O)c1ccccc1CC(=O)N1CC[C@@H](c2ccco2)C1 365212732 XJZNXGXVIFMRHU-CYBMUJFWSA-N 298.342 1.937 0 50 CDAA CCN1CC2(CCN(c3ncc(OC)cn3)CC2)CC1=O 72418968 WLNHBGDCPMDLKR-UHFFFAOYSA-N 290.367 1.324 0 50 CDAA CN(CC1CC1)C[C@H]1CN(Cc2cccn2C)CCO1 328637803 OVOQKPHUWUTRSO-INIZCTEOSA-N 277.412 1.568 0 50 CDAA CC[C@H]1COCCN1C(=O)c1cnc(-c2ccncc2)nc1 77407698 OYVMFWFVIKTTNH-AWEZNQCLSA-N 298.346 1.790 0 50 CDAA CC(C)COc1ncccc1C(=O)N1[C@H]2COC[C@H]1C2 329473070 SNKMFORXGHLSKF-VXGBXAGGSA-N 276.336 1.730 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 329646005 ITNCSBIQBVZKEQ-DYEKYZERSA-N 277.368 1.331 0 50 CDAA Cc1[nH]ccc1C(=O)NC1CCC(C(=O)O)CC1 261978442 CGNZLWVDQPIKBF-UHFFFAOYSA-N 250.298 1.696 0 50 CDAA O=C(O)c1cccc(CN2CCC[C@@H](c3ccncn3)C2)n1 215518149 JNJRZAMAJLCHMC-GFCCVEGCSA-N 298.346 1.949 0 50 CDAA Cc1cnccc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 373549866 UDDGZVSFONEMGG-HNNXBMFYSA-N 288.395 1.309 0 50 CDAA CC(C)OCC1CCN(C(=O)c2cccc(=O)[nH]2)CC1 215862388 GIWBZCFYHATWMQ-UHFFFAOYSA-N 278.352 1.652 0 50 CDAA N[C@@H]1CCCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C1 158074903 LCQXXILFYKGCEZ-SBJJXXPASA-N 296.374 1.835 0 50 CDAA CCc1nccn1CCC(=O)N1CC(c2ccccn2)C1 72137072 VNYHSFXDWLOMQY-UHFFFAOYSA-N 284.363 1.857 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NCc1cccc(OCC(=O)O)c1 262425554 HNAJQUQDZGEWIE-QWHCGFSZSA-N 293.319 1.191 0 50 CDAA CC(C)C(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1 236804683 GVNYUWXPTUOBGX-UHFFFAOYSA-N 278.308 1.024 0 50 CDAA COC1(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)CCC1 376266178 NUKYQCITEVXLRX-GFCCVEGCSA-N 278.356 1.086 0 50 CDAA C[C@@H](NC(=O)N1CC[C@@H](C2CC2)C1)c1ncn(C)n1 333357326 SWMGKIPOQHROMW-MWLCHTKSSA-N 263.345 1.318 0 50 CDAA COc1ccccc1OCCN(C)C(=O)[C@@H]1CCC[C@@H]1N 237144795 SQMSKZAMQHYUOB-OLZOCXBDSA-N 292.379 1.660 0 50 CDAA O=C(O)CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O 36589948 HUYGOICTAVMQIF-LLVKDONJSA-N 276.292 1.014 0 50 CDAA Cc1ncc(NC(=O)C2CN(C3CCCCC3)C2)cn1 333963489 NYQIRLFQHYFTJF-UHFFFAOYSA-N 274.368 1.988 0 50 CDAA Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1CN 131692793 WZQSWYRPEICJOK-LLVKDONJSA-N 288.800 1.760 0 50 CDAA NC[C@@H]1CCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 237971072 JIPHXLZWVAQCEU-LBPRGKRZSA-N 288.326 1.575 0 50 CDAA Oc1ccc(CCCNC[C@@]2(O)CCCNC2)cc1 72469683 XYDCEEYYWJUCOE-HNNXBMFYSA-N 264.369 1.029 0 50 CDAA Cc1nc([C@@H]2CCCCN2C(=O)c2ccc[nH]2)n[nH]1 334707410 HHMPFGVIXFNKNK-NSHDSACASA-N 259.313 1.809 0 50 CDAA Cn1cnc2cc(C(=O)NC[C@]3(C)CCCNC3)ccc21 335025697 KFDPNJOOKAYTPG-MRXNPFEDSA-N 286.379 1.693 0 50 CDAA COC(=O)[C@H]1[C@H]2C=C[C@H]([C@H]1C(=O)OC)[C@H]1C=C(C)[C@@H]21 216365003 TXNLKUONUFIDQY-NURVWSNCSA-N 262.305 1.573 0 50 CDAA Cn1cnc(C(=O)N2CC[C@H](Oc3ccccc3)C2)c1 335561267 YHPGVCZHZXMVOD-ZDUSSCGKSA-N 271.320 1.714 0 50 CDAA C[C@H]1C[C@@H](C(=O)N2CC(OC(F)F)C2)CCC1=O 336165672 NTMMLCYMQYDEPO-YUMQZZPRSA-N 261.268 1.442 0 50 CDAA OC[C@H](NCCO[C@H]1CCCCO1)c1ccsc1 225532229 PMJUCVRJFXGTKZ-STQMWFEESA-N 271.382 1.914 0 50 CDAA 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COc1ccc2[nH]c(CN[C@H](C)Cn3ccnc3)nc2c1 67724485 SLHJFNVHNOGVOR-LLVKDONJSA-N 285.351 1.946 0 50 CDAA CC(C)CNC(=O)c1cn2c3c(cccc3c1=O)CC2 35257785 FKEUFVMCEUXFFM-UHFFFAOYSA-N 270.332 1.943 0 50 CDAA CC(C)Nc1cc(N2CC[C@]3(CCCNC3)C2)ncn1 67885141 WPDRMEDVEGLHMG-HNNXBMFYSA-N 275.400 1.877 0 50 CDAA Cc1ccnc(SCC(=O)NC2CCCC2)n1 410819 LZEAXNLVHAVVQV-UHFFFAOYSA-N 251.355 1.936 0 50 CDAA COCC(C)(C)CNC(=O)c1nc2ccccc2[nH]c1=O 67743627 CERSIEFAMHXODC-UHFFFAOYSA-N 289.335 1.326 0 50 CDAA Cc1cc(C)cc(C(=O)N2CCC(C(N)=O)CC2)c1 618577 ASJDPWRDIYOCJX-UHFFFAOYSA-N 260.337 1.641 0 50 CDAA CN(CCC[C@H]1CCCO1)c1nc(N)nc2[nH]ncc12 32592849 JPCWQFKINVVOCM-VIFPVBQESA-N 276.344 1.331 0 50 CDAA C[C@@H](CNC(=O)[C@@H]1CCCc2cccnc21)c1nncn1C 332888798 FKOVWVDIMHCVNY-WCQYABFASA-N 299.378 1.550 0 50 CDAA Cc1cc(C)n([C@H](C)CC(=O)N2C[C@@H](F)C[C@H]2CO)n1 330554185 CXUFSVBMDFFWPS-AGIUHOORSA-N 283.347 1.382 0 50 CDAA O=C1C[C@]2(CCN(C(=O)c3cn[nH]n3)C2)Oc2ccccc21 72125657 HLSYAPOTJSFTIL-HNNXBMFYSA-N 298.302 1.055 0 50 CDAA 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287.275 1.025 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)c1cc(CC(C)C)n[nH]1 252495483 ORLQIMMOINTWBE-UHFFFAOYSA-N 275.356 1.878 0 50 CDAA N=c1[nH]cc(C(=O)NC2(CN3CCCCC3)CC2)s1 534663466 FPOPQINMWCVRTH-UHFFFAOYSA-N 280.397 1.304 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(C(F)(F)F)cc1 629218290 KNQMDBULRODITD-QWRGUYRKSA-N 289.253 1.585 0 50 CDAA CN(C)C1(CNC(=O)C[C@@H]2CCOC2)CCCC1 352161331 BCDGHTIAPKXAMI-LBPRGKRZSA-N 254.374 1.404 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@@H]2CCCNC[C@H]21 261507317 HJRPVTPZNLXFRN-GHMZBOCLSA-N 256.346 1.374 0 50 CDAA Cc1csc([C@H](C)CNC(=O)c2cnc(C)nc2O)n1 584898669 IRAZQMYTVRJXBV-SSDOTTSWSA-N 292.364 1.789 0 50 CDAA O=C([C@H]1CCOC1)N1CCCN(C2CCCCC2)CC1 584886685 XAYDRIDEVNRAJH-AWEZNQCLSA-N 280.412 1.890 0 50 CDAA COc1cc(C)cc(CNC(=O)N2CC[C@H](OC)C2)c1 269941370 WCOYRMABUKPPHG-ZDUSSCGKSA-N 278.352 1.934 0 50 CDAA C[C@@]1(C(=O)N2CCN(C(=O)C3CCC3)CC2)CCCCO1 584892488 VNGNHBWHSHCDDP-INIZCTEOSA-N 294.395 1.417 0 50 CDAA CC(C)Cc1nc(CN2CCc3nocc3C2)no1 670449771 FRHYCHAYTOEJQT-UHFFFAOYSA-N 262.313 1.814 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCc2cnc3cnccn23)n1 670436369 WORXXNHLBMREKN-LBPRGKRZSA-N 284.367 1.721 0 50 CDAA CN(C)C[C@@H]1COCCN(C(=O)c2cncc(Cl)c2)C1 670456721 JRYVSXIDENKJOJ-NSHDSACASA-N 297.786 1.385 0 50 CDAA Cc1cc(S(=O)(=O)NC2CC(C(=O)O)C2)ccc1F 871637467 GJWYAYQKWCQMSA-UHFFFAOYSA-N 287.312 1.276 0 50 CDAA CCc1ccc(CS(=O)(=O)NC2CC(C(=O)O)C2)cc1 871638216 YYPDUJDVVRPQFU-UHFFFAOYSA-N 297.376 1.532 0 50 CDAA CC(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952851040 RWAJICHNEGAMDV-NEPJUHHUSA-N 260.341 1.654 0 50 CDAA CCc1nc(O)cc(CN[C@H]2C[C@@H](O)C23CCC3)n1 1875281597 JMQRYPZAZLZTEO-WDEREUQCSA-N 263.341 1.138 0 50 CDAA C=CC(=O)N1CCC(C(=O)N(C)C2(COC)CC2)CC1 1875366119 NXIPKMUVUJTDMK-UHFFFAOYSA-N 280.368 1.048 0 50 CDAA Cc1ccc(CCS(=O)(=O)N2C[C@@H]3CC[C@H](C2)N3)cc1 1875319823 UODJOPVHFHDMDN-GASCZTMLSA-N 294.420 1.304 0 50 CDAA C=CC(=O)NCc1c(Cl)cccc1N1CCN(C)CC1 1875366532 SWBLFOQYNUPMQY-UHFFFAOYSA-N 293.798 1.894 0 50 CDAA CN(C[C@@H]1[C@H]2CNC[C@H]21)[C@H](c1ccccn1)C1CC1 952969315 CAZDVASKUUCHCD-NHIYQJMISA-N 257.381 1.930 0 50 CDAA Cn1ccnc1-c1ccc(NC[C@@]2(C)CCCO2)nn1 952970005 NOMSQOWQWSHGBD-CQSZACIVSA-N 273.340 1.858 0 50 CDAA CC(=O)N1CCO[C@H]2CCN(c3ncccc3Cl)C[C@H]21 886051577 HCXZEQYQGAFFGB-OLZOCXBDSA-N 295.770 1.561 0 50 CDAA CC(=O)N1CCO[C@H]2CCN(c3ncccc3F)C[C@H]21 886051524 PYTHFNGHSQMSQY-OLZOCXBDSA-N 279.315 1.047 0 50 CDAA O=C(CCc1cnccn1)NC[C@]12C[C@H]1COC21CCC1 890169466 BHSIMLLLYGXYAS-SWLSCSKDSA-N 287.363 1.485 0 50 CDAA CNS(=O)(=O)Cc1noc([C@@H](F)Cc2ccccc2)n1 896400665 NSMVATCPHNSSQH-JTQLQIEISA-N 299.327 1.372 0 50 CDAA Cc1[nH]nc(C(=O)/N=c2/sc3ccccc3n2C)c1O 1775986412 OLDGHYMEDHHDOZ-BUHFOSPRSA-N 288.332 1.718 0 50 CDAA CCn1cnnc1SC[C@@]1(C(=O)OC)CCCO1 1775992014 IPOIKZXLDXHTAW-LLVKDONJSA-N 271.342 1.112 0 50 CDAA CC1=NN(CC(C)(C)S(C)(=O)=O)C(=O)C12CCC2 899352597 AIZCYVDCHSNSEO-UHFFFAOYSA-N 272.370 1.198 0 50 CDAA O=C(NC[C@@H](O)c1cccnc1)c1ncoc1C1CC1 1434248742 UGQBICIGESEAIK-LLVKDONJSA-N 273.292 1.410 0 50 CDAA CCC[C@]1(CO)CCN(Cc2cccnc2C)C[C@H]1O 1529180077 AUCLWZGLUUNPOF-HZPDHXFCSA-N 278.396 1.735 0 50 CDAA Cc1nc2ccc(C(=O)N[C@@H]3CNCC[C@@H]3O)cc2s1 1565506041 TUZXGJBLHBCWGF-NEPJUHHUSA-N 291.376 1.057 0 50 CDAA Cn1cncc1CN[C@H]1CCCO[C@@H]1c1ccncc1 275428584 FCEWMDRVFBIHMS-LSDHHAIUSA-N 272.352 1.825 0 50 CDAA O=C1CN(CCN2CCCCC2)CCN1c1cccs1 186107116 AIQROYXEGOSLDW-UHFFFAOYSA-N 293.436 1.883 0 50 CDAA Cc1ccc(S(=O)(=O)Cc2nnnn2C2CC2)cc1C 276913316 NVDHRHCYRLDXMT-UHFFFAOYSA-N 292.364 1.599 0 50 CDAA CCc1nnc(N2CCC(OCCOC)CC2)nc1CC 170088779 ZWKGPUINHKYQLB-UHFFFAOYSA-N 294.399 1.628 0 50 CDAA CC1CCC(N2C[C@@H](C(=O)N(C)C[C@H](C)O)CC2=O)CC1 170017036 JDNLAWAIJMOVKI-QPPOZKHWSA-N 296.411 1.253 0 50 CDAA CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@]2(C)CC)[nH]n1 170593683 IPHAULFKZKTFEX-ISVAXAHUSA-N 265.313 1.961 0 50 CDAA COCCNC(=O)[C@H](C(C)C)N1CCc2ccccc2C1 170593302 UCORCQLZSFJXSW-INIZCTEOSA-N 290.407 1.832 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(-c3ncccc3C)n2CC1 601045367 WQRILLFGOFZHOQ-LLVKDONJSA-N 286.335 1.774 0 50 CDAA CN(CCSc1n[nH]c(=O)n1C)Cc1ccc(F)cc1 187396205 QFRYVQKEEWEOKY-UHFFFAOYSA-N 296.371 1.472 0 50 CDAA CC(C)(C)OC(=O)NCCCCCN1CC[C@@H](C(N)=O)C1 583651344 LFWQHWHANVRHHV-GFCCVEGCSA-N 299.415 1.489 0 50 CDAA C[C@@H](CC(=O)NC(C)(C)CCCN(C)C)N1CCCC1=O 585121496 QWGKVGFZORTHHM-ZDUSSCGKSA-N 297.443 1.624 0 50 CDAA COCCO[C@H]1CCN(c2nc(C)cc(OC)n2)C1 681992592 NNWYXJQHAHWGRH-NSHDSACASA-N 267.329 1.035 0 50 CDAA Fc1cncc(-c2cn(C[C@H]3CCCOC3)nn2)c1 640959711 JMWGIQKGTAUQPA-SNVBAGLBSA-N 262.288 1.906 0 50 CDAA CCC[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](C)CO)CCO1 305837245 GBFAVXHZJATPPG-FDYHWXHSSA-N 257.374 1.715 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2C[C@H]2C2CC2)cn1 190007675 HMGWZTOBHRSYPA-XDQVBPFNSA-N 275.352 1.412 0 50 CDAA CC[C@@H](CO)NC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 225440094 HUYDEOZCQNWGGL-STQMWFEESA-N 294.399 1.912 0 50 CDAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCCO[C@@H]2CCC[C@H]21 225436714 VSWMOKUYYGIZJE-DHGKCCLASA-N 265.353 1.724 0 50 CDAA C[C@H]1CN(c2ncccc2S(C)(=O)=O)CCCO1 192097986 BAJXALLYZLPPJL-JTQLQIEISA-N 270.354 1.100 0 50 CDAA COc1ccc(S(=O)(=O)N(C)c2ncccn2)cc1 193843561 CTQCSGDXBKRQLB-UHFFFAOYSA-N 279.321 1.310 0 50 CDAA Cc1cnc(SCCCN2CCOCC2)nc1 195337618 GGXTXVNLWMWXNK-UHFFFAOYSA-N 253.371 1.599 0 50 CDAA O=C(N1CCc2ccccc21)N1CCOC[C@]12CCOC2 195481114 GLPZAQXMYSXMKA-MRXNPFEDSA-N 288.347 1.660 0 50 CDAA COc1cccc(N2CC[C@H](N[C@H](C)[C@@H](C)O)C2)c1 570156018 VAJPNAVNVOYBEF-UPJWGTAASA-N 264.369 1.633 0 50 CDAA CC[C@@H](C(=O)NC(C)(C)C)N(CCO)Cc1ccco1 1506413065 GQPQPDCABAIUCE-ZDUSSCGKSA-N 282.384 1.767 0 50 CDAA O=C(C[C@@H]1CC1(F)F)N1CCN(c2cccnc2)CC1 1857685777 TUQOXSZYAJLPKW-LLVKDONJSA-N 281.306 1.776 0 50 CDAA CCN1C[C@@H](n2ccnc2-c2cccnc2)CC1=O 1857720102 DTPRYBRODNXGCN-LBPRGKRZSA-N 256.309 1.738 0 50 CDAA CCC[C@H]1CN(Cc2ccccn2)C[C@@H]1NS(C)(=O)=O 212661777 ISKSXZQOCFGNOH-JSGCOSHPSA-N 297.424 1.231 0 50 CDAA Cc1ncccc1CN(C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704341989 AXIIZCCDSKDZQZ-QLFBSQMISA-N 273.380 1.737 0 50 CDAA CC[C@H](N=c1nc(C)[nH]n1C)c1cn2cccnc2n1 1704312079 YTIBKMJPGOUDRJ-JTQLQIEISA-N 271.328 1.151 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@@H]2C(=O)O)ccc1Cl 656160035 HYAWLGQPOKJYLK-SNVBAGLBSA-N 289.740 1.496 0 50 CDAA CS(=O)(=O)c1ccc(N2CCC(N)CC2)c(F)c1 12953767 RSLBTHTXDJDLLF-UHFFFAOYSA-N 272.345 1.157 0 50 CDAA in-vitro NC[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 131694962 UUFVVLWSPSYTSS-MRVPVSSYSA-N 292.763 1.591 0 50 CDAA CCOC(=O)Cc1nc2ccc(C(F)(F)F)cn2n1 260149143 FTFAICFCAUXEOL-UHFFFAOYSA-N 273.214 1.854 0 50 CDAA CC(C)Nc1nnc(SC[C@@H](O)[C@@H](C)O)s1 1615541255 KKEOQWWDRULSLG-RNFRBKRXSA-N 263.388 1.192 0 50 CDAA Cc1nc2ccccc2c(=O)n1CCNC(=O)C(C)C 1775972025 SQLCPZFXJQGNKC-UHFFFAOYSA-N 273.336 1.477 0 50 CDAA CCS(=O)(=O)N1CCO[C@H](Cc2cccc(F)c2)C1 11812947 BYIBCUSIVLWBPA-CYBMUJFWSA-N 287.356 1.419 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)NC1CCN(C)CC1 12380621 FAVDGRBVFPVLKR-LBPRGKRZSA-N 262.353 1.664 0 50 CDAA NC(=O)c1cc(S(=O)(=O)Nc2ccccn2)cs1 16647435 WCFBBWJTODEQFX-UHFFFAOYSA-N 283.334 1.043 0 50 CDAA C[C@@H](C(=O)NCc1cc(C(C)(C)C)[nH]n1)N1CCCC1=O 19595293 UKQFBBBWYXMQQF-JTQLQIEISA-N 292.383 1.334 0 50 CDAA Cc1nnc(SCCNC(=O)[C@H]2CCCO2)s1 19789895 ORDAWNZCODDAGR-MRVPVSSYSA-N 273.383 1.234 0 50 CDAA O=C(Cn1ccnc1)Nc1ccc2c(=O)[nH]ccc2c1 1645130211 SSEPAJCYJMZROZ-UHFFFAOYSA-N 268.276 1.363 0 50 CDAA COc1ccc(F)c(CN2CC(C)(C)O[C@H]3COC[C@@H]32)n1 1857528830 OPRLNIIMRUAGOB-STQMWFEESA-N 296.342 1.608 0 50 CDAA COc1cnc(C)cc1C(=O)NCCn1nc(C)cc1C 1857677184 YXGKMDVFRQFZGW-UHFFFAOYSA-N 288.351 1.642 0 50 CDAA COc1ccc(C)nc1N1CCC[C@]2(CC1)CNC(=O)O2 1857678749 AGDGSBLUIVLEEB-HNNXBMFYSA-N 291.351 1.868 0 50 CDAA CNC(=O)[C@@H]1CN(c2nc3ccccc3cc2C)CCO1 302029682 BJWKAVGUVDCQFY-AWEZNQCLSA-N 285.347 1.494 0 50 CDAA CCOc1cc(N2CC[C@H](Oc3cccnc3)C2)ncn1 521393974 JIHHXAZRIQWOKR-ZDUSSCGKSA-N 286.335 1.928 0 50 CDAA Cc1c[nH]ccc1=NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C 328638870 WQZHPJADGCIHMP-BXUZGUMPSA-N 286.335 1.262 0 50 CDAA C[C@](O)(CC(=O)N1CCC[C@H]1c1ccc(O)nn1)C1CC1 530080321 QOTOZMIXHIZXMW-WFASDCNBSA-N 291.351 1.397 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)C2(OC)CCCCC2)N(C)C1 346706951 OGKPAPPNRDSDDP-KBPBESRZSA-N 298.427 1.513 0 50 CDAA COC[C@@H]1CCN1C(=O)c1cccc2ccc(O)nc12 354035690 MRTCGVINADHCBA-NSHDSACASA-N 272.304 1.801 0 50 CDAA COC[C@H]1CCN1C(=O)c1cccc2ccc(O)nc12 354035689 MRTCGVINADHCBA-LLVKDONJSA-N 272.304 1.801 0 50 CDAA O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 252517919 VBCYREIMUCCDCQ-RWMBFGLXSA-N 279.361 1.093 0 50 CDAA COC(=O)[C@@H]1CC12CCN(c1ncnc3n[nH]cc13)CC2 356328518 QRWYYYKGEUUXDV-JTQLQIEISA-N 287.323 1.132 0 50 CDAA C=CC(=O)N(CC)CC(=O)Nc1cccc2c1OCCO2 900301676 WTPKGJGSXVFYST-UHFFFAOYSA-N 290.319 1.431 0 50 CDAA Cc1nnc(Cn2cc([C@@](C)(O)Cc3ccccc3)nn2)o1 849141542 AZOCFXABRRNKJK-HNNXBMFYSA-N 299.334 1.468 0 50 CDAA Cc1cccc2nc(N3CCn4ncnc4C3)oc12 1117799171 QXHABWJKFQFCFP-UHFFFAOYSA-N 255.281 1.748 0 50 CDAA COC[C@@H](C)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237154421 PYAONQDNXGYATD-MNOVXSKESA-N 257.330 1.372 0 50 CDAA CSCC[C@@H](NC(=O)c1ccncc1C)C(=O)O 310831230 GRTRASYZUMLLMO-SNVBAGLBSA-N 268.338 1.326 0 50 CDAA Cc1cc(C(F)(F)F)cc(N2CCO[C@H](CCN)C2)n1 534647829 QOOYHBCLTPRAPJ-LLVKDONJSA-N 289.301 1.963 0 50 CDAA CN=c1[nH]c(C(=O)NC2(C(=O)O)CCCCCC2)cs1 384734027 KILPZMLFOROXKO-UHFFFAOYSA-N 297.380 1.514 0 50 CDAA CCCN(CC)C(=O)Cn1nc(O)c2ccccc2c1=O 2325728768 NTJNMRJIDURKTN-UHFFFAOYSA-N 289.335 1.361 0 50 CDAA C[C@@H](C(=O)NC1CC2(CCC2)C1)N1CCCCC1=O 2325755595 FNFLNNXBOKKQQY-NSHDSACASA-N 264.369 1.836 0 50 CDAA COc1cccc(CCNC2=NCCCCN2)c1OC 849215521 OGORGFFWBKCTFX-UHFFFAOYSA-N 277.368 1.575 0 50 CDAA COC(=O)c1c(C=O)ccn1CC(=O)OC(C)(C)C 2325904023 GLHOVWBXMKQCHJ-UHFFFAOYSA-N 267.281 1.429 0 50 CDAA Cc1ccccc1OCC(=O)N1CCC(C(N)=O)CC1 350805 UANNGLAVSPZDLW-UHFFFAOYSA-N 276.336 1.098 0 50 CDAA Cc1cc2c(cc1N)N[C@]1(O)c3ccccc3C(=O)[C@]1(O)N2 457773 WBQVAYIIQIIEJF-JKSUJKDBSA-N 297.314 1.145 0 50 CDAA C[C@H]1C[C@@H]1NC(=O)C1(C(=O)N[C@H]2C[C@H]2C)CCC1 246652316 ZQFVLOOKYXXZAR-VLEAKVRGSA-N 250.342 1.206 0 50 CDAA CCCCNS(=O)(=O)c1cccc2nonc12 2476651 XSIHDCSMDDUIJW-UHFFFAOYSA-N 255.299 1.301 0 50 CDAA biogenic Cn1cc(Cl)cc1C(=O)NC[C@H](O)c1cccc(O)n1 2356156043 SXKKZJRYUXFRTE-NSHDSACASA-N 295.726 1.243 0 50 CDAA CNC1=NC(=O)[C@H]([C@H](C)c2c[nH]c3ccccc23)O1 3964188 GNTVWGDQPXCYBV-PELKAZGASA-N 257.293 1.772 0 50 CDAA in-vitro,metabolite CCOc1ccc(NC(=S)NCCCO)cc1 4134524 DBBGHXPQIWFERX-UHFFFAOYSA-N 254.355 1.754 0 50 CDAA COC(=O)c1cn(-c2ccccc2OC)nc1C(=O)OC 4542265 JXAPRMTVLXQFGN-UHFFFAOYSA-N 290.275 1.454 0 50 CDAA COc1ccc(-c2noc(CN(C)C(C)=O)n2)cc1 4513071 XGBXCRILUXWIMV-UHFFFAOYSA-N 261.281 1.724 0 50 CDAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101102237 FVBXDZQNIUPFOG-UOVKNHIHSA-N 296.326 1.957 0 50 CDAA CC[C@H](N)C(=O)N1C[C@@H](C)Oc2cc(F)ccc21 118962500 SDJVZCNLFCSLGE-SCZZXKLOSA-N 252.289 1.677 0 50 CDAA O=C1CC[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CN1 247849377 FZXCKVAZSRVVGH-AVGNSLFASA-N 292.766 1.838 0 50 CDAA C[C@@H]1CCCN([C@H](C)C(=O)N2CCCn3cncc3C2)C1 107014595 WRVXAEMEHRWOKH-ZIAGYGMSSA-N 290.411 1.736 0 50 CDAA CO[C@H]1C=CC2=CCN3CCC4=C(CC(=O)OC4)[C@]23C1 56871237 PXWINCSLFXUWBZ-BBRMVZONSA-N 273.332 1.589 0 50 CDAA biogenic,in-vitro Cc1ccc(S(=O)(=O)Nc2ncc(C)cn2)cc1 22204691 GTBYOXOZMOIHKJ-UHFFFAOYSA-N 263.322 1.894 0 50 CDAA O=C(NCC[C@@H]1COc2ccccc2O1)Nc1nc[nH]n1 23581947 QWCPBIFHIHCYJS-SECBINFHSA-N 289.295 1.156 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H]1CCOC1 176676540 ALMDLDUQNAGAHV-LLVKDONJSA-N 251.330 1.064 0 50 CDAA CN1C(C)(C)CC(N2C[C@@H](C(=O)O)CC2=O)CC1(C)C 65504362 KQRHGRSRWAVLMY-JTQLQIEISA-N 282.384 1.571 0 50 CDAA CCCCS(=O)(=O)N1CCN(c2ccc(C)nn2)CC1 65364100 LEHUEAIOSLEPTN-UHFFFAOYSA-N 298.412 1.037 0 50 CDAA COc1ccc(F)cc1-n1cnc(CCNC(C)=O)c1 65373723 GOMZIZPKBNQOQD-UHFFFAOYSA-N 277.299 1.699 0 50 CDAA CC(C)CNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65364613 UBAXWRPVRZMDNK-UHFFFAOYSA-N 284.381 1.468 0 50 CDAA CC[C@@H]1C=CCN1C(=O)c1cc(CN2CCOCC2)on1 67833730 ASIYSMSHTAWFTN-GFCCVEGCSA-N 291.351 1.297 0 50 CDAA C[C@H]1CCCN(CCc2nc(-c3cn(C)cn3)no2)C1 20450090 FZFHZMJBKRYTIN-NSHDSACASA-N 275.356 1.745 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(c2ccc3ncsc3c2)C1 65508049 HSSHTXWJLFSLMU-SSDOTTSWSA-N 262.290 1.734 0 50 CDAA COc1ccc(OC)c(C(=O)N(C)C[C@H]2CCN(C)C2)c1 354955293 YJXYLMSXYJTWNR-LBPRGKRZSA-N 292.379 1.728 0 50 CDAA O=C(O)[C@@H]1CS[C@H](c2ccc3c(c2)OCO3)N1 53472 XFGXAJCIOOXIGL-OIBJUYFYSA-N 253.279 1.204 0 50 CDAA biogenic CN(C[C@@H]1CCc2nccn2C1)C(=O)c1ccncc1F 328640147 XFGTWNAVAXAHAZ-NSHDSACASA-N 288.326 1.752 0 50 CDAA CCc1cc(C(=O)N(C)C[C@@H]2CCn3ccnc3C2)n[nH]1 328630026 PJXOXEUQUZLEOD-LLVKDONJSA-N 287.367 1.503 0 50 CDAA CCN1CCN(C(=O)c2ccncc2)C[C@@H]1c1nccn1C 328617178 CJTODJQHNXFMQY-CQSZACIVSA-N 299.378 1.334 0 50 CDAA Cn1cc([C@H]2CCCCN2C(=O)c2cnns2)cn1 328924114 VGCOCAXHTLMUEE-SNVBAGLBSA-N 277.353 1.639 0 50 CDAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)[C@@H]2C[C@@H]2C2CC2)C1 329004629 YKGNGZPQQUKAMH-KKOKHZNYSA-N 276.340 1.139 0 50 CDAA Cn1ccnc1CN1C[C@@H](F)C[C@H]1CN[C@H]1CCCOC1 434158427 DVSAVYNFSNODOW-IHRRRGAJSA-N 296.390 1.101 0 50 CDAA Cn1ncnc1CCn1ccnc1-c1ccccn1 72463724 XEGZBGQTVDKTNU-UHFFFAOYSA-N 254.297 1.316 0 50 CDAA C[C@@H]1CNCCN1C(=O)C[C@H]1OCCc2ccccc21 124615395 IQAVOOPKGCYWIG-IUODEOHRSA-N 274.364 1.511 0 50 CDAA NC(=O)c1nn(Cc2ccccc2F)c2ncccc12 34472687 GWDSAMDSGSEPRH-UHFFFAOYSA-N 270.267 1.718 0 50 CDAA CC(C)c1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 77425234 RMZOYUHWXQRAKJ-JTQLQIEISA-N 283.397 1.471 0 50 CDAA N[C@@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)C1 132552404 OEORFNCUDJBXEZ-SECBINFHSA-N 274.349 1.378 0 50 CDAA NC(=O)[C@@H]1Cc2ccccc2N1Cc1ncc(C2CC2)o1 371349773 MIGRWSZYTCQTBP-ZDUSSCGKSA-N 283.331 1.969 0 50 CDAA O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@H]2CNC[C@H]21 77303784 RIQCUSKXBZZTBP-XHDPSFHLSA-N 288.395 1.041 0 50 CDAA COc1nc(C)nc(N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1C 285096070 QIRNPSMFKOCYHH-OLZOCXBDSA-N 292.383 1.011 0 50 CDAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 77505312 CXJHQLNFMIYRJJ-LLVKDONJSA-N 287.319 1.748 0 50 CDAA CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCCOCC2)C1 496194946 QSGBHDUVZDCAHZ-UHFFFAOYSA-N 298.383 1.492 0 50 CDAA Cc1cccc2nc(C(=O)NCCc3cnc[nH]3)c(F)n12 215330920 JTMOIAMFHGQCOG-UHFFFAOYSA-N 287.298 1.477 0 50 CDAA CC[C@H](OC)C(=O)N1CC[C@H](N2CCCC2)[C@H]1C 240244256 DLHPMUBYESNPAV-AGIUHOORSA-N 254.374 1.497 0 50 CDAA CCn1cc(C2CCN(C(=O)[C@@](C)(O)C3CC3)CC2)cn1 286396393 UBNDPMKKBCZTHC-INIZCTEOSA-N 291.395 1.770 0 50 CDAA O=C(Cc1ccn(-c2ccc(F)cc2)n1)N=c1cc[nH][nH]1 525753602 JIVUYBKEXNYAOA-UHFFFAOYSA-N 285.282 1.338 0 50 CDAA CN(C(=O)CCc1cc(F)ccc1F)[C@@H]1CCNC1 179102217 MYRHQOUICGPSHU-GFCCVEGCSA-N 268.307 1.718 0 50 CDAA CCC[C@@](C)(CO)NC(=O)c1nc[nH]c2nccc1-2 613316188 KJSOGPYIFCGLSJ-ZDUSSCGKSA-N 262.313 1.190 0 50 CDAA O=C(NCCc1nc2ccccc2o1)c1cc(CO)ccn1 221360226 HPMPGJWWZVUBTA-UHFFFAOYSA-N 297.314 1.688 0 50 CDAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc2c(c1)OCO2 222999284 HSGBSSQYTTXXPV-SCVCMEIPSA-N 261.277 1.323 0 50 CDAA Cc1nnc(CCNC(=O)c2cnc3ccccc3n2)s1 221213432 JOVNGMAHRMMDNH-UHFFFAOYSA-N 299.359 1.762 0 50 CDAA COC(=O)c1ccn2c(Br)cnc2c1 40448907 VFFFBWRUZMAHFS-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA O=S1(=O)C[C@]2(N3CCCC3)c3ccccc3CC[C@H]21 45027591 BNOHGQQVODUVMR-CABCVRRESA-N 277.389 1.721 0 50 CDAA O=C1O[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3C(=O)N1CCc2ccccc21 197183963 WUJYROUWYWTOOG-BBIZWXPBSA-N 283.327 1.773 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2CCCN2)C[C@H](c2ccsc2)O1 237757120 GSNUYALSQAVKHS-WCFLWFBJSA-N 280.393 1.789 0 50 CDAA CN(C)CCCNC(=O)[C@H](c1cccc(F)c1)N(C)C 95367302 WCUZDENHYIRYNR-AWEZNQCLSA-N 281.375 1.496 0 50 CDAA COC(=O)[C@H](CCCCN(C)C)NC(=O)OC(C)(C)C 97756880 ZVBNCZSCAKJIMI-NSHDSACASA-N 288.388 1.785 0 50 CDAA CSc1nc(-c2ccc([C@H]3NC(=O)NC3=O)cc2)n[nH]1 96152522 VRQJMJOOSQRYNG-MRVPVSSYSA-N 289.320 1.074 0 50 CDAA CCc1c(C)nc(N)nc1NC[C@H](CC)N1CCOCC1 95379372 QBAQMNDGLZBFRU-LBPRGKRZSA-N 293.415 1.452 0 50 CDAA CN(CCO)c1ccc(-c2ccccc2CO)nn1 97553425 PEUKHNZIGZUVCB-UHFFFAOYSA-N 259.309 1.064 0 50 CDAA CCc1ccc(CN(C)c2nc(N)ncc2C)nc1 91468594 AYRMIQCDSAZLSG-UHFFFAOYSA-N 257.341 1.961 0 50 CDAA CC(=O)NC1(C(=O)O)CCN(c2ccccc2)CC1 232556252 XRYYOTTYIOJQPN-UHFFFAOYSA-N 262.309 1.246 0 50 CDAA CCC[C@@H]1CN(c2cc(OC)nc(N)n2)C[C@H]1C(=O)O 91563145 NCXBWGQEMZYPAF-RKDXNWHRSA-N 280.328 1.005 0 50 CDAA Cc1nc(C2CC2)ncc1C(=O)N1CCc2[nH]cnc2C1 96131536 FCFLVHBZXRDOGP-UHFFFAOYSA-N 283.335 1.584 0 50 CDAA CCCn1nc(C)c(C(=O)N2CC(C)(CO)C2)c1C 622650026 QCBBMVIERSCMOU-UHFFFAOYSA-N 265.357 1.364 0 50 CDAA C[C@H]1CC[C@@H](C)N1[C@H]1CS(=O)(=O)[C@]12C[C@H]1C=C[C@H]2C1 257358663 VSEHSZRGTJJURI-IWTMDLJTSA-N 281.421 1.991 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CCO1 299748475 HDRKMOQTIMWKLX-AVGNSLFASA-N 281.352 1.515 0 50 CDAA CCN(C#N)CCN1CCC[C@H]1CNC(=O)OC(C)(C)C 864091352 STONDHZDMOPFAZ-ZDUSSCGKSA-N 296.415 1.778 0 50 CDAA C[C@@H]1CCn2cc(C(=O)N(C)[C@H](C)C(=O)O)nc2C1 864096808 ITURODSVWOMAJG-RKDXNWHRSA-N 265.313 1.011 0 50 CDAA O=C(CCCN1CCCC1=O)NCC[C@H]1CCCOC1 534665403 BQLJBKDSKCIILU-CYBMUJFWSA-N 282.384 1.322 0 50 CDAA CCc1nc(C)sc1CNC(=O)[C@H]1C=CCN1 534675378 ANMMXBNDMLIXPC-SNVBAGLBSA-N 251.355 1.158 0 50 CDAA O=C(CN1C[C@@H]2CC[C@H]1C2)NCCCOC1CCCC1 534663297 XUJUQZLSDHDBEP-KGLIPLIRSA-N 280.412 1.936 0 50 CDAA CCc1nn(C)c(Cl)c1CN1CCN2C(=O)OC[C@H]2C1 378342919 QRSFOAUBYNAKCP-SECBINFHSA-N 298.774 1.272 0 50 CDAA COCCN1C[C@@H](Cc2ccc(O)c(C)c2)CC1=O 299765417 GKHIYAPRSNNAGT-ZDUSSCGKSA-N 263.337 1.738 0 50 CDAA COCCN1C[C@@H](Cc2cccc(C(C)=O)c2)CC1=O 299799091 QLKMSTNJWYHKHB-AWEZNQCLSA-N 275.348 1.927 0 50 CDAA COCC(C)(C)CNC(=O)CCc1ccnn1C 292093149 LHAFIBOUXWKSJW-UHFFFAOYSA-N 253.346 1.142 0 50 CDAA COc1ncc(CN(C)CCC[C@H]2CCCO2)cn1 824851998 MWBQFISYQSMNLA-ZDUSSCGKSA-N 265.357 1.876 0 50 CDAA Nc1nc(CCCNC(=O)CCc2cccnc2)cs1 827822439 NYTMJKWEUINVIJ-UHFFFAOYSA-N 290.392 1.802 0 50 CDAA CCc1noc([C@@H](C)n2cnc3ncccc3c2=O)n1 584887342 XRBHAEXWKRXWNE-MRVPVSSYSA-N 271.280 1.346 0 50 CDAA CC[C@H]1CCCCN1CC(=O)NCC1CCN(C)CC1 822718134 OZDCEQMPELCORB-HNNXBMFYSA-N 281.444 1.709 0 50 CDAA CC[C@H](C)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 491292086 OIFWTZAVEOPHDS-LBPRGKRZSA-N 299.415 1.454 0 50 CDAA CC[C@@H](NC(=O)CCn1nnnc1C)c1ccc(F)cc1 584898453 DKBNWIYYXPCDKE-CYBMUJFWSA-N 291.330 1.778 0 50 CDAA Cc1nnsc1Cn1cnc2cccc(C)c2c1=O 584892567 QGFVCZOIFGSDND-UHFFFAOYSA-N 272.333 1.913 0 50 CDAA Cc1csc2c(=O)n([C@@H]3CC(=O)N(C(C)C)C3)cnc12 584894264 NBMQGSCQMMGZLH-SNVBAGLBSA-N 291.376 1.948 0 50 CDAA O=C(N[C@H]1CC[C@H](O)CC1)c1cccc2[nH]c(=O)oc12 269832659 DYZXTWRHEWSPCV-KYZUINATSA-N 276.292 1.154 0 50 CDAA C[C@@H](c1ccccn1)N1CCC(c2ncc(C(N)=O)[nH]2)CC1 685941229 VJIHONJXNUVEQC-NSHDSACASA-N 299.378 1.844 0 50 CDAA CC(C)n1cccc1C(=O)OCc1cc(O)nc(O)n1 1875254529 DYORVPSAAPFADQ-UHFFFAOYSA-N 277.280 1.627 0 50 CDAA CN=c1[nH]c(=NCc2ccc(CCO)cc2)[nH]cc1Cl 1875287922 GNCKHPWAWYPCCS-UHFFFAOYSA-N 292.770 1.162 0 50 CDAA C[C@@H](NC(=O)[C@@H]1CNCC12CCCCC2)C(C)(C)N 1875328540 XRAKTJNEOCAIDA-NEPJUHHUSA-N 267.417 1.398 0 50 CDAA Cc1nc([C@H]2CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)n[nH]1 1875321506 KZTQYALDNZDGBV-JSGCOSHPSA-N 297.362 1.466 0 50 CDAA Cc1cccc2c1CCN2C(=O)[C@@]1(N)CCSC1 1875354359 FNNYJLYYRJINGZ-CQSZACIVSA-N 262.378 1.719 0 50 CDAA C[C@H](CN(C)C(=O)c1ccc2nonc2c1)C(=O)O 888098644 MVCZZULBAOTXCI-SSDOTTSWSA-N 263.253 1.016 0 50 CDAA CN1C(=O)CC[C@H]1C(=O)Nc1cc(Cl)cc2cn[nH]c12 890494785 LIVXGEOQCYGAOS-JTQLQIEISA-N 292.726 1.776 0 50 CDAA CCC[C@@H]1CN(c2ncnc3c2ncn3C2CC2)CCN1 895058999 QDXQUZLAAIDDBY-LLVKDONJSA-N 286.383 1.740 0 50 CDAA Cc1ccc(NC(=O)N2CCC(=O)N3CCOC[C@@H]32)cc1 1776003070 UDSJSOOTXNBVLA-ZDUSSCGKSA-N 289.335 1.418 0 50 CDAA COc1ccc2c(=O)n([C@H]3CCCOC3)ncc2c1 899354004 BGDAQNWKZLJNPP-NSHDSACASA-N 260.293 1.757 0 50 CDAA COc1ccc(C(=O)N[C@@H]2CO[C@H]2c2ccccc2)cn1 1412759843 WKVDWLDJURGKEY-HIFRSBDPSA-N 284.315 1.960 0 50 CDAA CNC(=O)NCc1cn(CC(F)(F)c2ccccc2)nn1 899717821 DRRHPBOXRZTGLK-UHFFFAOYSA-N 295.293 1.499 0 50 CDAA Cc1csc(N(C)C(=O)CCc2ccnn2C)n1 185753986 GELPBSUTGAOYIV-UHFFFAOYSA-N 264.354 1.781 0 50 CDAA CONC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 167059982 CMYMNEKCKAADCH-NXEZZACHSA-N 254.286 1.439 0 50 CDAA O=C(NCc1ccoc1)NC[C@@H]1CCc2nccn2C1 275408074 NXBYYBUYYWAWNL-NSHDSACASA-N 274.324 1.538 0 50 CDAA CCOCCCC(=O)N1CCSC[C@H]1C(=O)OCC 514432210 YUMQPTWCGNOLGE-NSHDSACASA-N 289.397 1.310 0 50 CDAA CCS(=O)(=O)Nc1cc([C@H]2CCCO2)nn1C 278555066 AKGSMPKOVLIZJK-SECBINFHSA-N 259.331 1.033 0 50 CDAA O=C(Nc1cnns1)c1cccc(-n2ccnc2)c1 170605826 HZXPMHJJBPJAQQ-UHFFFAOYSA-N 271.305 1.976 0 50 CDAA CC(C)Oc1ccccc1CNC[C@@H]1CC(C(N)=O)=NO1 170606924 CHEKVNHTRGCSPK-LBPRGKRZSA-N 291.351 1.194 0 50 CDAA Cc1conc1NC(=O)C(=O)NCc1ccsc1 170681776 KBSUQTQDOPBOPB-UHFFFAOYSA-N 265.294 1.299 0 50 CDAA C[C@@H](C1CC1)n1cc(NC(=O)c2cnc3[nH]nnc3c2)cn1 548637586 MOPXLNQDKGGPRT-QMMMGPOBSA-N 297.322 1.773 0 50 CDAA CN1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@H]1C(F)(F)F 583620026 KBLQTVPMYXYIOE-WPRPVWTQSA-N 290.289 1.175 0 50 CDAA CSc1ccc(CN(C)[C@H]2COC[C@@H]2O)cc1 216474836 IKWOCALOEJOFDI-STQMWFEESA-N 253.367 1.600 0 50 CDAA CC[C@H](C)N(CCO)S(=O)(=O)c1sccc1OC 585114451 AVWICBNEBGMMCL-VIFPVBQESA-N 293.410 1.538 0 50 CDAA CC[C@@H]1C[C@@H](C(=O)NC(C)(C)C(C)(C)O)CCO1 408164116 GORDBTNBPZPEND-WDEREUQCSA-N 257.374 1.857 0 50 CDAA O=C(CCc1c[nH]cn1)N[C@H]1CCOc2ccccc21 188878290 WAELXGVBXXKLEX-ZDUSSCGKSA-N 271.320 1.982 0 50 CDAA CC(C)CN(C(=O)Cn1cc(F)ccc1=O)C1CC1 190754018 ZMLJAZZQJLQKBF-UHFFFAOYSA-N 266.316 1.634 0 50 CDAA Nc1cc(CN2CC[C@H](CNc3ccccn3)C2)ccn1 191503850 FRFFJKRRBRAYIO-CQSZACIVSA-N 283.379 1.993 0 50 CDAA O=C(N1CCOCC1)N(Cc1ccccn1)C1CC1 194470595 XGRVMQRRVMEBRN-UHFFFAOYSA-N 261.325 1.498 0 50 CDAA CC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccsc2)C1 652389753 DBSJXFADJQDTAJ-NWDGAFQWSA-N 282.365 1.474 0 50 CDAA CO[C@@H](C(=O)Nc1cccc(CC(=O)O)c1)[C@H]1CCOC1 659137390 JXRNTNYLLBBCQE-SMDDNHRTSA-N 293.319 1.304 0 50 CDAA C[C@H](CC(N)=O)N(C)Cc1cc(O)c2cccc(F)c2n1 1506417891 CFXPTGRZVKRJGZ-SECBINFHSA-N 291.326 1.775 0 50 CDAA Cc1cc(=NCCCc2nn[nH]n2)c2cc(F)ccc2[nH]1 1506409535 ISSUWSLHCGOMNF-UHFFFAOYSA-N 286.314 1.662 0 50 CDAA CC(C)C[C@H]1CN(c2cc(C(N)=O)ccn2)CCO1 1506410999 NNGLWNHSVUFCHJ-LBPRGKRZSA-N 263.341 1.432 0 50 CDAA COC[C@H](c1ccccn1)N(C)C(=O)c1ncccc1O 1506420049 RUKUXEJLPHMHPZ-GFCCVEGCSA-N 287.319 1.642 0 50 CDAA Cc1cc(N[C@@H]2CCOC2)nc(N2CCCCC2)n1 1529186569 IEEWDXIQIVLKID-GFCCVEGCSA-N 262.357 1.976 0 50 CDAA COc1ccc(F)cc1[C@H](C(=O)O)N(C)CC1(C)COC1 1529104019 KCWNJTIUELEAPK-CYBMUJFWSA-N 297.326 1.928 0 50 CDAA Cc1nn(C)cc1NC(=O)c1cc(C(F)F)nn1C 1529169306 UUXRUNCFKGTZSV-UHFFFAOYSA-N 269.255 1.652 0 50 CDAA COc1ccc(Cl)cc1CNC(=O)C1(C(=O)O)CC1 118947933 VVHVFXZQORZXSP-UHFFFAOYSA-N 283.711 1.830 0 50 CDAA COCCCNC(=O)C(=O)Nc1ccc(C)cc1C 4583796 BFLSWNRPFXENBH-UHFFFAOYSA-N 264.325 1.395 0 50 CDAA CC[C@@]1(CO)CCCN(C(=O)c2cccc(O)n2)C1 330447720 YSUCAQOSKLLSAW-CQSZACIVSA-N 264.325 1.412 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cncc(F)c1 156677816 BTQWMTGXKCGEOP-BXKDBHETSA-N 251.305 1.563 0 50 CDAA COCCNC(=O)Cc1ccc(Br)cc1 2961636 YLZRIWFUIOZLJA-UHFFFAOYSA-N 272.142 1.754 0 50 CDAA Cc1sc(CNC(=O)[C@@]2(C)CCCOC2)nc1C(=O)O 1615055368 LTIQEJDGFULWCM-ZDUSSCGKSA-N 298.364 1.583 0 50 CDAA COc1cccc2c1CN(C(=O)[C@@H]1C[C@@H]3C[C@H](N)[C@@H]3C1)C2 1615545334 GONDSQHGLVVIAA-BHPKHCPMSA-N 286.375 1.911 0 50 CDAA Cc1cc(C(=O)N2C[C@H](O)[C@@H](F)C2)ccc1Cl 1616101621 CTXFGHTWZUBTAF-QWRGUYRKSA-N 257.692 1.803 0 50 CDAA CC(C)CN1CCC(CNc2nnc(CN)o2)CC1 1772705010 JVCNTPHLQDMNOT-UHFFFAOYSA-N 267.377 1.308 0 50 CDAA CC(C)CCC[C@H]1CN(C(=O)CN(C)C)CCO1 11772792 RGZFYEJIQWPJCJ-ZDUSSCGKSA-N 256.390 1.602 0 50 CDAA CC(C)(C)OC(=O)NCCN[C@@H](C(=O)O)c1ccco1 12954814 ONFTXSIYQYEFEG-SNVBAGLBSA-N 284.312 1.520 0 50 CDAA O=C(O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 966712 OVNYSPGLDGPDIU-TWGQIWQCSA-N 263.274 1.808 0 50 CDAA COc1ccc(C(=O)NC[C@@H](C)CN(C)C)cc1OC 2828072 YBTQAPGSPRIBGT-LLVKDONJSA-N 280.368 1.631 0 50 CDAA O=C(CSCCO)Nc1ccc(N2CCOCC2)cc1 4865860 YDAQEMWTLOLNDK-UHFFFAOYSA-N 296.392 1.187 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@H]1c1cccs1 2481600 OFTBUODXSAYZRC-VIFPVBQESA-N 267.379 1.287 0 50 CDAA Cc1cc(=O)[nH]c(N2CCN(c3ccccc3F)CC2)n1 4386653 QAKYQTSWRRAETC-UHFFFAOYSA-N 288.326 1.544 0 50 CDAA O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1 2574744 KUUUDPTUEOKITK-AWEZNQCLSA-N 285.299 1.818 0 50 CDAA in-vitro CSc1ncc(-c2nccn2[C@@H]2CC(=O)N(C)C2)cn1 1857673972 VARQVXOLTXYQGW-SNVBAGLBSA-N 289.364 1.465 0 50 CDAA Cc1cc2c(cn1)CN(C(=O)Cn1nc3ccccc3n1)C2 1857686476 YKHMQUZQXDUWBA-UHFFFAOYSA-N 293.330 1.677 0 50 CDAA Cn1ncc(Cl)c1C(=O)N1CC(c2ccncc2)C1 1857687271 NWIHAFPWFARDEY-UHFFFAOYSA-N 276.727 1.708 0 50 CDAA Cc1nc2ccc(C(=O)NC3(CO)CC=CC3)cc2[nH]1 1857703970 XXMUDFMPCULZQP-UHFFFAOYSA-N 271.320 1.682 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(O)cc1 101113203 KSPCSLXTFYMKED-NGERZBJRSA-N 273.288 1.854 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)COCc1ccccc1 710003223 IOLUPNCOYOIGMG-KBPBESRZSA-N 279.336 1.123 0 50 CDAA Cn1cncc1CC(=O)N[C@H]1CCOc2ccc(F)cc21 225447351 ARBBFTPJLVZDFZ-ZDUSSCGKSA-N 289.310 1.742 0 50 CDAA CCc1ccnc(C(=O)N2CCNC[C@@H]2c2nccn2C)c1 423622856 AYLNIIUSMDRYAH-CQSZACIVSA-N 299.378 1.164 0 50 CDAA CC1(C(=O)N2CCOC3(CNC3)C2)CCC(F)(F)CC1 638437109 IEKYGUVJYPOFKS-UHFFFAOYSA-N 288.338 1.403 0 50 CDAA CCc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)O)s1 237174498 OYAVQLRJKNJISD-GFCCVEGCSA-N 296.392 1.476 0 50 CDAA COC[C@H]1CN(C(=O)c2ccc(O)nc2)CC(C)(C)O1 338076688 HPCNHRCFVVQMFK-LLVKDONJSA-N 280.324 1.053 0 50 CDAA O=C(CCCn1cncn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 247797610 SMWIVSHDFHJKAF-NIFZNCRKSA-N 288.395 1.999 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)NC[C@@H]1CCCO1 583623762 BOFPKHSPEXVCPV-OLZOCXBDSA-N 292.383 1.266 0 50 CDAA C[C@H](NC(=O)c1cccc(C(=O)O)c1)[C@H]1CCOC1 161032337 ZWWFFGRRVJKEMD-CABZTGNLSA-N 263.293 1.540 0 50 CDAA C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)c1c[nH]ccc1=N 902436209 YACYYDCHVRNMSM-UHNFBRDESA-N 268.364 1.769 0 50 CDAA O=C(CCC(F)(F)F)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 907942430 XBXVRCWEAWNPPQ-XAVMHZPKSA-N 279.258 1.944 0 50 CDAA CNC[C@H]1CCN(C(=O)Cc2ccc(OC)cc2C)C1 911776603 ADSKMXYNERFMRH-CYBMUJFWSA-N 276.380 1.614 0 50 CDAA CC(C)CN(C[C@H](O)CO)C[C@H](O)c1ccc(F)cc1 929708647 ZMGQHFSYBJVMIW-GJZGRUSLSA-N 285.359 1.170 0 50 CDAA Nc1ccnc(Cn2cc(C(F)(F)F)ccc2=O)n1 225475926 HUPRLQJNBPQBHI-UHFFFAOYSA-N 270.214 1.288 0 50 CDAA O=C(O)CN(Cc1ccccc1)C(=O)[C@H]1CCOC1 238147857 XBUOUVQFHIYHKF-LBPRGKRZSA-N 263.293 1.136 0 50 CDAA Cc1n[nH]c(C)c1CN1C[C@@H](N)[C@H](c2ccccc2)C1 261732930 OMPRABIEXWDPKE-JKSUJKDBSA-N 270.380 1.953 0 50 CDAA Cc1ncncc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 262969699 PNNMYSCDPVMIKJ-NSHDSACASA-N 277.324 1.502 0 50 CDAA C[C@H](CNC(=O)N1CC[C@@](C)(C(=O)O)C1)C(F)(F)F 263320324 AJUOTHIAXMKEGT-GMSGAONNSA-N 282.262 1.691 0 50 CDAA COC(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)nc1 282836285 OMXSHLMYLKRGOD-UHFFFAOYSA-N 288.307 1.320 0 50 CDAA C[C@H]1OCC[C@]1(C)NC(=O)c1cccc2[nH]ncc12 329686026 AETDGIHVYFQVFV-OTYXRUKQSA-N 259.309 1.860 0 50 CDAA COCC1(CNc2cc(OC)nc(=N)[nH]2)CCCC1 534582858 WWWCCEDIVPBYHS-UHFFFAOYSA-N 266.345 1.516 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@@H]1CCOC1)C1CCCCC1 630265882 WAKUGFSMHRYLOO-VXGBXAGGSA-N 269.341 1.420 0 50 CDAA CCc1nccn1CCCNc1nc(N)ncc1C 92046427 CVULMTFDWRHZJV-UHFFFAOYSA-N 260.345 1.628 0 50 CDAA OC[C@@H]1[C@H]2CN(Cc3ccn(C4CCCC4)n3)C[C@H]21 368341243 XHGDLZDTOVGCCG-FICVDOATSA-N 261.369 1.668 0 50 CDAA CO[C@@]1(CO)CCCN(C[C@H](O)c2ccc(C)cc2)C1 852412111 NWYSCLNKSJNEDA-HOTGVXAUSA-N 279.380 1.502 0 50 CDAA O=C(O)C1(C(=O)O)CC2(COC(c3ccccc3)OC2)C1 41982 INVAXDRIPADDGN-UHFFFAOYSA-N 292.287 1.668 0 50 CDAA CC(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1 1428594 VZNGAXBHMWCICQ-UHFFFAOYSA-N 293.348 1.732 0 50 CDAA c1cc2ccc(CN3CCO[C@@H](c4nn[nH]n4)C3)cc2[nH]1 2100547520 JLKHLRWJAJHNEW-CYBMUJFWSA-N 284.323 1.255 0 50 CDAA COC(=O)[C@H]([C@H](C)O)N(C)C(=O)c1cccc(SC)c1 2325755024 WMUNLURLDXGNBW-CABZTGNLSA-N 297.376 1.403 0 50 CDAA O=C1CCC[C@H](C(=O)O[C@@H]2CCC3(COC3)C2)C1 2325799623 LXNIPUTVSXAVSM-CMPLNLGQSA-N 252.310 1.858 0 50 CDAA CCc1nnc2ccc(S[C@@H](C)C(=O)O)nn12 2325817102 GTHMFFNXMQCQBO-LURJTMIESA-N 252.299 1.252 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)c3ccccc32)no1 132000924 RAZVHZKFUNLQBE-SNVBAGLBSA-N 272.260 1.812 0 50 CDAA O=C(OCn1nnc2ccccc2c1=O)c1ccco1 67137 YPERNVZXPUFLKY-UHFFFAOYSA-N 271.232 1.199 0 50 CDAA O=C(Cn1cncn1)c1ccc(Br)cc1 437251 DCGCIVKFFKKGNN-UHFFFAOYSA-N 266.098 1.924 0 50 CDAA CSCC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O 2028338 VMTKJVHNTIEOCU-JTQLQIEISA-N 279.317 1.489 0 50 CDAA O=C(Nc1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 4454868 PQJHIZXGQVJTCN-JTQLQIEISA-N 272.301 1.134 0 50 CDAA NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 6678594 OEVNTVLFHHGVFH-UHFFFAOYSA-N 274.367 1.022 0 50 CDAA Cn1c(S)nc2ccc(Br)cc2c1=O 100503227 LQONJOHKJVJUMX-UHFFFAOYSA-N 271.139 1.985 0 50 CDAA CSc1nc(C(=O)NCc2cc(=O)[nH]c(C)n2)cs1 23159332 OMEVNYAZEGFHDN-UHFFFAOYSA-N 296.377 1.187 0 50 CDAA CCCN(C(=O)Cc1ccc2c(c1)OCO2)[C@H]1CCNC1 178903392 JWBIJBCASHUXLR-ZDUSSCGKSA-N 290.363 1.558 0 50 CDAA CNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cn1 66319912 ZBCICJFKJGYOGG-UONOGXRCSA-N 298.346 1.371 0 50 CDAA COCc1noc(CCn2cnc3ccccc32)n1 113725764 NJWRFCVBKXHHOE-UHFFFAOYSA-N 258.281 1.808 0 50 CDAA CCC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1 67947890 ZQZDAJWQJDKGDC-ZDUSSCGKSA-N 289.379 1.389 0 50 CDAA CCc1ncc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)cn1 67490587 UJBBZPKHIOCDDQ-UHFFFAOYSA-N 299.378 1.913 0 50 CDAA Cn1ccnc1[C@@H](O)CNC(=O)[C@H]1CCc2ccccc2C1 20598623 IBQQIUWHJWBBJF-GJZGRUSLSA-N 299.374 1.375 0 50 CDAA Cc1ccccc1OC[C@H](O)CN1CCO[C@@H](C)C1 229275557 YMDAJWAIKWNLAZ-UONOGXRCSA-N 265.353 1.455 0 50 CDAA Cc1cc(C)cc(N2CCN(C[C@@H]3CCOC3)CC2=O)c1 65381289 NVGJHFXHSXOACB-HNNXBMFYSA-N 288.391 1.989 0 50 CDAA CN1C[C@H](NC(=O)Nc2nnc(C(C)(C)C)s2)CC1=O 63833494 DTYSBVQFARZLPR-SSDOTTSWSA-N 297.384 1.188 0 50 CDAA Cc1nnc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1 285063500 OVZZFACTHROEEX-SKDRFNHKSA-N 281.262 1.969 0 50 CDAA Cc1cc(S(=O)(=O)N2CCOCC2)c(C)s1 111098 LEGHQVKUFCELJN-UHFFFAOYSA-N 261.368 1.386 0 50 CDAA Cc1cccc(-n2cc(C(=O)N3C[C@H](C)N[C@H](C)C3)nn2)c1 153679927 AVTYMNGUWRNUGD-BETUJISGSA-N 299.378 1.398 0 50 CDAA Cc1nc2c(c(N3C[C@H]4CC=CC[C@H]4C3)n1)CCNCC2 65398523 NANLNDMZXNIVSX-OKILXGFUSA-N 284.407 1.876 0 50 CDAA COC(=O)[C@H]1CCc2nnc(Cc3ccccc3C)n2C1 260247766 IUFLRHFFZCENQS-ZDUSSCGKSA-N 285.347 1.913 0 50 CDAA CCOC(=O)[C@@H]1C[C@H](C)C(=O)N1C(=O)OC(C)(C)C 33914606 WZKJJCVPZFSEJO-IUCAKERBSA-N 271.313 1.722 0 50 CDAA CN(C)C[C@H]1CCN(C(=O)NCc2cccc(CO)c2)C1 187804946 GPZCMDGSYPLDFT-OAHLLOKOSA-N 291.395 1.272 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC[C@](CO)(c2ccccc2)C1 367289329 KFNXXIAJWVOIIB-KRWDZBQOSA-N 299.374 1.505 0 50 CDAA Cc1noc([C@H](N[C@H]2CCO[C@@H]2C)C2CCOCC2)n1 328622614 IODLDIFXHDWEEN-JIMOISOXSA-N 281.356 1.613 0 50 CDAA COc1ccc(-c2cc(C(=O)N[C@H]3CC[C@H]3N)[nH]n2)cc1 72168780 DMDJJVDJLFUHOT-NEPJUHHUSA-N 286.335 1.305 0 50 CDAA CC(C)(CC(=O)N1CCN[C@@H](C(=O)O)C1)c1ccccc1 71738410 IPQWRADVIBTCNK-CYBMUJFWSA-N 290.363 1.239 0 50 CDAA COC[C@@H]1CN(C(=O)COc2ccccc2)CC(C)(C)O1 285409567 GOIYZCXGRMODNW-AWEZNQCLSA-N 293.363 1.718 0 50 CDAA CCn1cc(C(=O)N2CC[C@H](C(=O)O)C2)c(C(C)C)n1 237232920 VKLBMZHUWGBNPV-JTQLQIEISA-N 279.340 1.573 0 50 CDAA CC(=O)c1ccc(-c2ncc(F)c(NCCO)n2)s1 32519512 OKQVQUCVEHUVKJ-UHFFFAOYSA-N 281.312 1.951 0 50 CDAA O=C(O)c1[nH]ncc1CN1CCC[C@@H]1c1ccccn1 71748488 PGRNIHKEFXRCOD-GFCCVEGCSA-N 272.308 1.840 0 50 CDAA OC(C[C@H]1CNCCN1)(c1ccccc1)c1ccccc1 71771313 ZBTILVNCHKEHME-KRWDZBQOSA-N 282.387 1.874 0 50 CDAA CCc1cc(NCc2cc(COC)[nH]n2)n2nccc2n1 72454777 XXEFIQCUQZXMLT-UHFFFAOYSA-N 286.339 1.773 0 50 CDAA CC1(C)CC(C(=O)N2CCN[C@@H](c3cccnc3)C2)C1 334457259 IJFUVKKBTIMRQC-CQSZACIVSA-N 273.380 1.991 0 50 CDAA O=C(N[C@@H]1COC2(CCCC2)C1)c1n[nH]c2c1CCC2 215716820 QXNJMGPUOZBBSZ-JTQLQIEISA-N 275.352 1.730 0 50 CDAA Cc1cc(=NC(=O)N2C[C@@H](C)OC3(CCC3)C2)cc[nH]1 335397492 YWCQMBFQELWMST-GFCCVEGCSA-N 275.352 1.987 0 50 CDAA CC(=O)N1CC(NC(=O)c2cccc3cccnc23)C1 525169029 RDBWEZPIFKAYDR-UHFFFAOYSA-N 269.304 1.195 0 50 CDAA CS(=O)(=O)c1ccc(C=O)cc1Br 42684451 VQVXLUIYQIQWLH-UHFFFAOYSA-N 263.112 1.665 0 50 CDAA in-vitro C[C@@H]1CC[C@@H](CCC(=O)N2CCOC[C@H]2CC(=O)O)O1 263333061 VLANOLYFLOXLRI-UTUOFQBUSA-N 285.340 1.036 0 50 CDAA C[C@H](NC(=O)Nc1nccs1)c1nnnn1C1CC1 241588048 OZEYLTWGAYRRNY-LURJTMIESA-N 279.329 1.347 0 50 CDAA NC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1 241588535 PDXCGHGHEKYCNM-YRGRVCCFSA-N 284.315 1.726 0 50 CDAA NC(=O)c1cncc(Oc2ncnc3ccsc23)c1 342938207 KKLBXGATNPIDBS-UHFFFAOYSA-N 272.289 1.978 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)COc1ccc(F)cc1 222581690 BHYKDBHFLDUKGM-SNVBAGLBSA-N 292.314 1.693 0 50 CDAA CCN1CCC[C@@H](N2CCN(C(C)C)[C@H](C)C2)C1 42976595 BCSJDSWAOGLBCU-HUUCEWRRSA-N 253.434 1.885 0 50 CDAA CCOCCC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 220740527 TZMILKUGVINJFS-ZIAGYGMSSA-N 285.384 1.503 0 50 CDAA O=C(NCC1CSC1)c1cc(O)nc(C2CC2)n1 616048190 DCCZUWQLIQGOHO-UHFFFAOYSA-N 265.338 1.152 0 50 CDAA C[C@@H]1C[C@@]2(C[C@](C)(c3csc(N)n3)OC2=O)C(=O)O1 229917497 WIGKLQPOWNPCMI-JPWUCKPDSA-N 282.321 1.209 0 50 CDAA biogenic O=C(NCCn1cccn1)c1n[nH]c2c1CCCCC2 190978399 DPZRCPLEVCQFSR-UHFFFAOYSA-N 273.340 1.305 0 50 CDAA CC[C@]1(C)C[C@@H]1C(=O)N1CCC(OCCCN)CC1 162204787 GRAFLUADAISXAD-UKRRQHHQSA-N 268.401 1.779 0 50 CDAA CO[C@@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccccc1 330447278 HZIGMZDXYMYJRT-CYBMUJFWSA-N 297.376 1.068 0 50 CDAA O=C(CC1CCNCC1)N[C@@H]1CCCC[C@@H]1CO 231315706 QDVBLSFGMSFNRX-CHWSQXEVSA-N 254.374 1.043 0 50 CDAA CCSc1nc(-c2ccc(OC)nc2OC)n[nH]1 426500101 MAQCNXVKAHQBOO-UHFFFAOYSA-N 266.326 1.996 0 50 CDAA O=c1[nH]c(N2CCOCC2)nc2c1Cc1ccccc1OC2 95528396 RYGZJWNGIUJIKR-UHFFFAOYSA-N 299.330 1.090 0 50 CDAA COCC1(NC(=O)CCCc2cn[nH]c2)CCCC1 96140238 SPHNVODXMPMYEO-UHFFFAOYSA-N 265.357 1.808 0 50 CDAA CN1CCCC[C@@H]1C(=O)N1CC(c2ccccn2)C1 97655402 HOQWFZKWSTWBMA-CQSZACIVSA-N 259.353 1.492 0 50 CDAA O=C(N1CCOCC1)N1CCC[C@@](CC2CC2)(C(=O)O)C1 91713903 HEDCPFCJJRJANO-HNNXBMFYSA-N 296.367 1.406 0 50 CDAA CC[C@@H](NC(=O)c1[nH]nc(C)c1Cl)[C@H]1C[C@H](O)C1 243914794 BKSCWAYLWYRPLA-IWSPIJDZSA-N 271.748 1.651 0 50 CDAA CC1=NO[C@@](C)(C(=O)NCCCNc2cccnc2)C1 244882861 YARBZIRZOXLFHR-CQSZACIVSA-N 276.340 1.555 0 50 CDAA CCc1cnccc1C(=O)N1CCC[C@@H](C2OCCO2)C1 182531325 RUTYPDSREFESFG-CYBMUJFWSA-N 290.363 1.869 0 50 CDAA CCN(CC)[C@H]1CCN(CCC(=O)Nc2cccnc2)C1 244882461 XSELNYVTNQYGLL-HNNXBMFYSA-N 290.411 1.826 0 50 CDAA CN(C)C(=O)c1cncc(NC[C@]2(C)CCCO2)n1 342550410 YIFSQACNKNPFPV-ZDUSSCGKSA-N 264.329 1.159 0 50 CDAA O=C(O)CN(C(=O)CCC1CCOCC1)C1CCOCC1 299751620 RATXACZWULYFSA-UHFFFAOYSA-N 299.367 1.285 0 50 CDAA C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@H]1C(=O)O 299749086 JEQVVCLHPYIFTP-YPMHNXCESA-N 277.320 1.177 0 50 CDAA C[C@]12C[C@@H]3[C@@H]4[C@H]([C@H]1[C@@H]42)n1c(=O)n(-c2ccccc2)c(=O)n13 253596517 SBRHQWZMKIXRKU-TYKAWROJSA-N 281.315 1.182 0 50 CDAA CSc1nc2n(n1)C(=O)[C@@H](c1ccccc1)C(=O)N2 252495389 OPLZUUQKCVRFGG-QMMMGPOBSA-N 274.305 1.376 0 50 CDAA N[C@H]1C[C@@H](c2cc(NCCCCCO)ncn2)C1 252527905 DPZHQKJHBCGWBR-PHIMTYICSA-N 250.346 1.256 0 50 CDAA O=C(NC[C@@H]1CCNC[C@H]1O)Nc1ccc(F)c(F)c1 534635479 GIDANUNRFFQSCB-QPUJVOFHSA-N 285.294 1.057 0 50 CDAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CN1CCCCCCC1)C2 534581129 GIJNZMLAUQCHKK-FOLVSLTJSA-N 279.428 1.448 0 50 CDAA CCC[C@H](NC(=O)Cc1c(O)n[nH]c1C)c1nccn1C 534634259 UOVBTSHXRYZLGW-NSHDSACASA-N 291.355 1.357 0 50 CDAA COc1ccc(-c2cc(F)cc3c2O[C@H](CN)C3)nn1 299799133 VHRHVKPLCIIYGH-JTQLQIEISA-N 275.283 1.554 0 50 CDAA COC(=O)[C@H]1CCN1c1cncc(Cl)c1C(=O)O 725345303 MIYXMAMUSXNFAR-SSDOTTSWSA-N 270.672 1.185 0 50 CDAA O=S1(=O)CC[C@H](NC2CCN(Cc3ccco3)CC2)C1 584896268 XUPOWCYOBFXBJO-ZDUSSCGKSA-N 298.408 1.021 0 50 CDAA Cc1ncsc1CCC(=O)N[C@@H](C)c1nncn1C 584889941 HUKMFLDTYLZEIQ-VIFPVBQESA-N 279.369 1.390 0 50 CDAA CN1CC[C@@](C)(Cn2cnc3cc(F)ccc3c2=O)C1 584901321 GWHZPWOLFHNLNZ-OAHLLOKOSA-N 275.327 1.877 0 50 CDAA CCc1nc(CN(C)[C@@H](C)CCn2cccn2)no1 670445150 RIBRERXBEMTQAG-NSHDSACASA-N 263.345 1.739 0 50 CDAA CCC[C@H](NC(=O)Cc1cc(F)ccc1F)C(=O)O 165901984 SWBGMYPYSAINRL-NSHDSACASA-N 271.263 1.877 0 50 CDAA O=C1Nc2ccccc2[C@]12Nc1ccccc1-c1nnnn12 685944071 ZZZISMWFBRAZEC-OAHLLOKOSA-N 290.286 1.419 0 50 CDAA CN(C(=O)[C@@H]1NCc2ncncc21)C1CCCCC1 1553363206 XWFLTDVJCLEDAC-CYBMUJFWSA-N 260.341 1.412 0 50 CDAA CC1(CNC(=O)N2C[C@H](N)C3(CCC3)C2)CCOCC1 1553466673 BUWRTALFPXUWMQ-LBPRGKRZSA-N 281.400 1.326 0 50 CDAA Cc1nc([C@@H]2COC[C@@H]2NCc2ccoc2C)n[nH]1 1875397756 MKIUJXBMTZEIDA-NEPJUHHUSA-N 262.313 1.287 0 50 CDAA O=C(NC1CC1)c1n[nH]cc1NC(=O)C1SCCS1 1875298687 KFNBQRKSWHEKQF-UHFFFAOYSA-N 298.393 1.047 0 50 CDAA CCn1nc(C)c(Cn2[nH]c(Cc3ccccc3)nc2=O)n1 1875281152 RKRCWUMFWYYEPB-UHFFFAOYSA-N 298.350 1.130 0 50 CDAA Cn1nc(C(=O)N2CCSCC2)c2cc(F)ccc21 1875281686 QDKBMTXBQUAJNF-UHFFFAOYSA-N 279.340 1.901 0 50 CDAA CN(C)c1cccc(Cn2cc(Cn3cccn3)nn2)n1 1875282676 OCROTCSSIIOVOC-UHFFFAOYSA-N 283.339 1.032 0 50 CDAA Cc1cnccc1CC(=O)N[C@]1(c2ncc[nH]2)CCOC1 886096831 QFDCJQCHYFHMAK-OAHLLOKOSA-N 286.335 1.088 0 50 CDAA Cc1nccn1CCNC[C@H]1CCO[C@@H]1c1cnn(C)c1 888076716 NAZATWFOJMGMIY-HIFRSBDPSA-N 289.383 1.292 0 50 CDAA CC1=C(C)C[C@](C)(C(=O)Nc2cnn(CC(N)=O)c2)CC1 1333325565 CANPSJMOLDJQNK-OAHLLOKOSA-N 290.367 1.834 0 50 CDAA COc1c(C)[nH]cc(CN(C)c2nccc(C)n2)c1=O 894804468 NSMBZCUAYPQMAL-UHFFFAOYSA-N 274.324 1.427 0 50 CDAA Cc1cc(NCCS(C)(=O)=O)nc(C2CCC2)n1 891941113 YZHXFSJWXCGUEG-UHFFFAOYSA-N 269.370 1.509 0 50 CDAA c1ccn2ncc(CNC[C@H]3CCO[C@@H]3c3cn[nH]c3)c2c1 1775959408 TZAFHCAXFACHJO-WBMJQRKESA-N 297.362 1.925 0 50 CDAA CC1(C)C2CCC1(C(=O)NOCCN1CCCC1=O)CC2 1347326703 VJVIQGUOUOSCCN-UHFFFAOYSA-N 294.395 1.873 0 50 CDAA CC(C)[C@@]1(C(=O)O)C[C@H]1C(=O)NCc1cocn1 899773162 YMFLOFVNELTVFN-CABZTGNLSA-N 252.270 1.038 0 50 CDAA CC(C)(C)OC(=O)NCC12CC(N)(C1)C1(CCC1)O2 1536221420 DVLMJVNHCKJROB-UHFFFAOYSA-N 268.357 1.694 0 50 CDAA CCO[C@H]1C[C@H](N(C)S(=O)(=O)C2CC2)C1(C)C 169998606 OBCKWDWIGSXNDN-QWRGUYRKSA-N 261.387 1.614 0 50 CDAA CO[C@H](C)CS(=O)(=O)Nc1ccc(C)cc1C(=O)O 278749079 WPFNXFLXDLYIKV-SECBINFHSA-N 287.337 1.470 0 50 CDAA O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1ccco1 170603062 OQMBXHDVCZSDLJ-UHFFFAOYSA-N 290.304 1.661 0 50 CDAA Cc1noc([C@@H]2CCN(Cc3c(C)noc3C)C2)n1 408039799 YXIQMSUDDWTONQ-LLVKDONJSA-N 262.313 1.972 0 50 CDAA COC[C@@H]1CN(Cc2nnc(C)o2)CC(C)(C)O1 408031960 QTXLKABSEDNTCJ-JTQLQIEISA-N 255.318 1.004 0 50 CDAA Cc1nccn1CCCOc1ccc2ncn(C)c(=O)c2c1 225451076 ILSFUHXEMBYDCE-UHFFFAOYSA-N 298.346 1.908 0 50 CDAA O=C(NCc1ccc(Br)o1)c1cc[nH]n1 189564255 WBUAIAUCCMIUFW-UHFFFAOYSA-N 270.086 1.695 0 50 CDAA Cc1nscc1C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 190056511 YIWSSIASDRAGHD-NWDGAFQWSA-N 292.364 1.445 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)N2CCC(NC(C)C)CC2)C1 190374134 KDDMXSKWGSTFAB-KBPBESRZSA-N 283.416 1.726 0 50 CDAA Fc1ccc(F)c(CN2CCOC[C@]23CCOC3)c1 193724461 WPRVRNCBGVHDBZ-CQSZACIVSA-N 269.291 1.956 0 50 CDAA CCOc1ccc(S(=O)(=O)Cc2n[nH]c(CC)n2)cc1 195568038 WNULQACWWRWSFF-UHFFFAOYSA-N 295.364 1.740 0 50 CDAA Cc1cc(CNS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)n[nH]1 668127358 GLXBSZFNFFZKLE-UONOGXRCSA-N 291.376 1.694 0 50 CDAA Cn1ccc(C(=O)NCc2cccnc2N2CCCCC2)n1 584906669 GWOMFEXHVYUFIT-UHFFFAOYSA-N 299.378 1.735 0 50 CDAA Cc1cc2c(cc1NC(=O)[C@@H]1CN(C)C[C@@H](C)O1)OCO2 585132082 NZEMIWHRMBSUNP-YGRLFVJLSA-N 292.335 1.381 0 50 CDAA COCCN1CCC[C@@H](CNCc2cnc(C)nc2)C1 1506426372 GNWJAIRXXJTYJV-AWEZNQCLSA-N 278.400 1.233 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC2(C(N)=O)CCCC2)n1 1506402063 HVWIHTVTRGVURD-NSHDSACASA-N 264.373 1.276 0 50 CDAA CCN1CCCC[C@@H]1CNc1ncc(F)c(N(C)C)n1 1529090281 FTLPZIOCJPAKFM-LLVKDONJSA-N 281.379 1.968 0 50 CDAA CN(CC[C@H]1CCCCO1)c1nc(N)c2cnn(C)c2n1 1529125967 FMVVPQQSRRMIGB-SNVBAGLBSA-N 290.371 1.341 0 50 CDAA CCOC1CN(S(=O)(=O)c2cccc3c2OCC3)C1 333852123 NTRNEMTVAQNTJB-UHFFFAOYSA-N 283.349 1.031 0 50 CDAA CN(c1nc(C(F)(F)F)cs1)[C@@H]1CCNC1=O 335365615 RDDVEQJESJVYRQ-RXMQYKEDSA-N 265.260 1.487 0 50 CDAA COc1nc(N(C)Cc2ccc3nonc3c2)ncc1F 1704333488 ALDNVODIPKAXRX-UHFFFAOYSA-N 289.270 1.797 0 50 CDAA O=C(O)CCNCc1ccc(OC(F)F)cc1F 1118920568 RVVWYFBKJQWHEM-UHFFFAOYSA-N 263.215 1.991 0 50 CDAA COC[C@H](O)CN1CCC(c2noc(C3CC3)n2)CC1 364037234 SHJILPLMJITQRA-GFCCVEGCSA-N 281.356 1.134 0 50 CDAA CC1(CNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)CC(F)(F)C1 1615001520 SRLRCDWLEBCSAX-DBIOUOCHSA-N 272.339 1.911 0 50 CDAA Cc1nscc1NC(=O)NCCC(=O)N1CCCCC1 1615585383 DLWMXMJDVXAJEW-UHFFFAOYSA-N 296.396 1.976 0 50 CDAA COc1c(CN2CCCCC[C@@H]2CO)cnn1C 1615585359 CRFTZPORUYHNDR-GFCCVEGCSA-N 253.346 1.166 0 50 CDAA Cc1cc(N2C[C@@H](N(C)C)C3(CCOCC3)C2)nc(C)n1 1615614711 JMYYFLNHUKMAHV-CQSZACIVSA-N 290.411 1.640 0 50 CDAA O=C(CSc1nc(-c2ccco2)n[nH]1)N1CCOCC1 892025 MHFMHJHZCJBZHS-UHFFFAOYSA-N 294.336 1.016 0 50 CDAA Cn1nc2c(c1C(=O)N1CCC[C@H]1C1(O)CC1)CCCC2 1772818439 FICFQVJGJRQKQN-ZDUSSCGKSA-N 289.379 1.428 0 50 CDAA CC(C)c1nc(C(=O)N2CCNC(=O)[C@H]2C(C)C)cs1 20541357 SFAASGUFFYKCKL-LLVKDONJSA-N 295.408 1.863 0 50 CDAA COc1cccc2c1OC[C@H](N1CCCN(C=O)CC1)C2 11818751 PRNKTLNRDZNCGW-CQSZACIVSA-N 290.363 1.163 0 50 CDAA CC(C)CC(=O)N1CCN(Cc2cccn2C)CC1 12382071 JQDBIZNCVLVZNV-UHFFFAOYSA-N 263.385 1.715 0 50 CDAA CC(C)CCNC(=O)c1cnc2sccn2c1=O 12382214 MPIUYEJGBAUSJD-UHFFFAOYSA-N 265.338 1.532 0 50 CDAA COc1ncccc1S(=O)(=O)N1CCCCC1 15829269 HCYPRIKOUROGBT-UHFFFAOYSA-N 256.327 1.265 0 50 CDAA O=C(/C=C/c1ccc(F)cc1)NCCCN1CCOCC1 19759122 VQSGYRALCMPIAM-QPJJXVBHSA-N 292.354 1.677 0 50 CDAA Cc1nc(NC(=O)c2ccncc2)sc1C(=O)N(C)C 2767511 QBNQNGLPAKQFAT-UHFFFAOYSA-N 290.348 1.801 0 50 CDAA COc1ccc(C)cc1NC(=O)C(=O)NC[C@H]1CCCO1 2860356 FXASVGRNWRLNHK-LLVKDONJSA-N 292.335 1.237 0 50 CDAA CCOC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 2953568 IQXPLFICTRLORO-JTQLQIEISA-N 271.338 1.404 0 50 CDAA CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1CC 6746763 MWVPNVWANINVRS-UHFFFAOYSA-N 299.392 1.669 0 50 CDAA Cc1cc(CNC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)no1 1857529116 XKCWUYJDSQTQNJ-APPZFPTMSA-N 290.323 1.658 0 50 CDAA Cc1cncc(C(=O)N2CCO[C@@H](c3cccnc3)C2)c1 1857704712 CEPLNJYPHNHAAY-OAHLLOKOSA-N 283.331 1.999 0 50 CDAA N[C@H](Cc1c[nH]c2c(Br)cccc12)C(=O)O 2539042 VMMOOBBCGTVDGP-SECBINFHSA-N 283.125 1.885 0 50 CDAA in-vitro Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H]2CCCO2)c1 2958742 ZPRQUKNBUHYAHS-ZDUSSCGKSA-N 276.336 1.537 0 50 CDAA OC[C@@H]1CN(c2ncc(F)c(-c3ccsc3)n2)C[C@H]1O 418965411 STWQQJDHGMMCFY-GXSJLCMTSA-N 295.339 1.134 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CC[C@H](N)C[C@H]1C 237073685 OLIRZIWITCGLPS-MNOVXSKESA-N 279.384 1.680 0 50 CDAA NCCNC(=O)CN(Cc1ccccc1)c1ccccc1 12647682 LIMOMEWLCFTFCR-UHFFFAOYSA-N 283.375 1.768 0 50 CDAA in-vitro Cc1noc(Cn2nc(C)c([C@@H]3COCCN3C)c2C)n1 852962792 QMINTIJTAHFLRQ-LBPRGKRZSA-N 291.355 1.243 0 50 CDAA Cc1cc[nH]c1C(=O)N1CCC[C@H](CC(N)=O)CC1 794309438 WDDKHMUCHVTFQZ-NSHDSACASA-N 263.341 1.441 0 50 CDAA O=C(c1ccccc1OC1CC1)N1CC[C@@H](n2cncn2)C1 377280417 KNMAYBGRTHBBDK-GFCCVEGCSA-N 298.346 1.907 0 50 CDAA CCCC[C@](C)(CO)NC(=O)c1c[nH]c(C)cc1=O 585089847 MGVWMDYDVIALIO-CQSZACIVSA-N 266.341 1.354 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@@](C)(O)[C@H](C)O 585121273 KRBDMJQTBBTXRL-NHYWBVRUSA-N 296.367 1.009 0 50 CDAA CN(C)C(=O)c1c[nH]nc1NCC1=Cc2ccccc2OC1 902660884 KIEUXMPKSLGWPJ-UHFFFAOYSA-N 298.346 1.999 0 50 CDAA CON1CCN(C(=O)C[C@@H]2CCC3(CCC3)O2)CC1 909292126 NHVIWFCAVFCSER-LBPRGKRZSA-N 268.357 1.184 0 50 CDAA Cc1n[nH]cc1C1CCN(C(=O)[C@@H](C(=O)O)C(C)C)CC1 911590186 JTJPPADLDABSQO-ZDUSSCGKSA-N 293.367 1.781 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)C(F)=C1CCCC1 818382820 FDMQAZKSUKMIMK-CQSZACIVSA-N 284.331 1.277 0 50 CDAA CC[C@H](C(=O)O)C(=O)N[C@H](C)c1cccc(NC(C)=O)c1 822549772 GCIJMJMTLSXUQY-RNCFNFMXSA-N 292.335 1.933 0 50 CDAA CC(C)C1(C(=O)N2CCC[C@@H]3[C@H](O)C(C)(C)[C@@H]32)COC1 827852862 SIJVKVZBUFKMQC-XQQFMLRXSA-N 281.396 1.667 0 50 CDAA O=C(CN1CCC(c2ncco2)CC1)NC[C@@H]1CCCO1 931450660 HQLVFNATDPNBRZ-ZDUSSCGKSA-N 293.367 1.149 0 50 CDAA CC1(C)[C@]2(C(=O)NOC[C@H]3CCOC3)CC[C@@]1(C)C(=O)O2 861248630 QZSYUFSYJNZVIJ-NZVBXONLSA-N 297.351 1.193 0 50 CDAA CC(=O)N1CCC(NCCc2cccc(F)c2)CC1 216199 BHACFEROOGUDJM-UHFFFAOYSA-N 264.344 1.969 0 50 CDAA Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2CN)cc1 237442505 FWQJXVGYWZRXBU-CHWSQXEVSA-N 262.353 1.712 0 50 CDAA CCO[C@H]1C[C@H]1C(=O)NC1CCC(C(=O)O)CC1 262647989 JPILJGDZCCWKPZ-LXKPXOPUSA-N 255.314 1.171 0 50 CDAA C[C@H](CC(=O)N1[C@H](C)COC[C@H]1C)[C@@H]1CCCNC1 262641643 RXRQCYLJONXAON-AAVRWANBSA-N 268.401 1.648 0 50 CDAA CCc1nsc(N2C[C@@H](C)C[C@@H](C(=O)O)C2)n1 263172026 JKKBCYDULWIOTA-JGVFFNPUSA-N 255.343 1.648 0 50 CDAA COc1c(F)cc(NC(=O)[C@H](C)C(=O)O)cc1F 263200211 XCKMPAONHHKXGV-YFKPBYRVSA-N 259.208 1.633 0 50 CDAA CC1(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)O)CC1 566312455 SABLQKQKWUTLBR-LLVKDONJSA-N 289.397 1.882 0 50 CDAA 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LBHPUZJTMRRYMQ-JTQLQIEISA-N 263.297 1.693 0 50 CDAA Cc1cc(C)nc(CCNC(=O)[C@]2(C)CCCO2)n1 426472751 NHOYCAOMHJUJDS-AWEZNQCLSA-N 263.341 1.321 0 50 CDAA Cc1ncc(C(=O)N2C[C@H](C)N(C)[C@H](C)C2)c(C)n1 293856452 AXCQTEFEAVHRTJ-AOOOYVTPSA-N 262.357 1.258 0 50 CDAA COc1cc(Cl)cc(OC)c1-c1nnnn1C 96159770 TWBMAPYCKXTJAH-UHFFFAOYSA-N 254.677 1.548 0 50 CDAA C[C@@]1(c2ccccc2)CCC(=O)N(CCc2n[nH]c(N)n2)C1 92022202 IHTQIKWNFQARED-MRXNPFEDSA-N 299.378 1.510 0 50 CDAA COCC[C@]1(CO)CCCN(Cc2c(C)n[nH]c2C)C1 91713478 MGPXUYFXPWUBJA-OAHLLOKOSA-N 281.400 1.638 0 50 CDAA OCc1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)cc1 97570748 MOZMHYNGXPLTSZ-CYBMUJFWSA-N 271.320 1.207 0 50 CDAA Cn1nc(C(=O)N2CCC[C@@H]2c2ccco2)ccc1=O 97775895 OKHZPAGCFMPARD-LLVKDONJSA-N 273.292 1.351 0 50 CDAA C[C@@]1(O)CCN(Cc2cccc(OC(F)F)c2)C[C@@H]1O 96141786 VGEOBQDBHAICHY-GXTWGEPZSA-N 287.306 1.606 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@H]2C=C(c3ccccc3)[C@H]21 248040990 ODRYVRQFMJDTPV-CBBWQLFWSA-N 293.326 1.344 0 50 CDAA O=C1[C@@H]2[C@H](C(=O)N1Cc1ccco1)[C@H]1C=C[C@H]2C12CC2 244724674 MYKWNNSRMQLNSO-LPWJVIDDSA-N 269.300 1.977 0 50 CDAA CC[C@@H](NC(=O)c1cc(C)nc(C)n1)[C@H]1C[C@H](O)C1 244716241 LLLYRZSHQCFQQP-IJLUTSLNSA-N 263.341 1.373 0 50 CDAA COC(=O)[C@]1(C)CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 245774957 OTCNSTWAFYUQAT-YAMSLAJTSA-N 251.326 1.444 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@H]42)[C@@H]3O)cc1 245391905 NLBHOXLHYBDIKY-UQPQVDFHSA-N 287.315 1.102 0 50 CDAA COC(=O)CCN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 298570300 QHOWMSKJUONGMT-OCCSQVGLSA-N 285.290 1.948 0 50 CDAA C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H](C(=O)O)C1 299740841 CDQBGZJRNXMYCU-XQQFMLRXSA-N 299.367 1.284 0 50 CDAA Cc1ccc(CNc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)o1 253378486 GKIBKNPGEQETKZ-AOOOYVTPSA-N 274.324 1.811 0 50 CDAA CN1c2cc(C(N)=O)ccc2C(=O)N2CCCCC[C@H]21 257197431 KHLKHHFRULEZQN-ZDUSSCGKSA-N 273.336 1.578 0 50 CDAA CC1=C[C@@H]2[C@H]1[C@H]1C=C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 253591376 MTLZTPKNVYBKCV-YJNKXOJESA-N 293.326 1.659 0 50 CDAA CC[C@H](NC(=O)c1ccsc1)c1ncnn1C 534667884 KQJRDRLOQJZPQX-VIFPVBQESA-N 250.327 1.758 0 50 CDAA CN1CCN(C(=O)c2ccnc(-c3ccoc3)c2)CC1 534676272 AAIWKWZWXVQOQL-UHFFFAOYSA-N 271.320 1.729 0 50 CDAA COC(=O)c1cn(C[C@@H]2C[C@H]3C=C[C@H]2C3)cc2c(=O)[nH]nc1-2 263588785 YHXLFRUBEXDYMC-DCAQKATOSA-N 299.330 1.675 0 50 CDAA CC(C)C1=NO[C@H](C(=O)N(C)Cc2cc[nH]n2)C1 820723159 NKMBPRICNJWUEU-NSHDSACASA-N 250.302 1.169 0 50 CDAA CN(CCN1CCCC1)C(=O)C[C@H]1CCCOC1 584899810 XWODGFPCNQKXDV-CYBMUJFWSA-N 254.374 1.357 0 50 CDAA CCCN1C[C@@H](NC(=O)c2cnc(O)c(Cl)c2)CC1=O 822919130 FHDJMZKSMGHIFX-VIFPVBQESA-N 297.742 1.181 0 50 CDAA C=CC(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 146315319 PDSHMWBVUYWHIC-UHFFFAOYSA-N 254.330 1.642 0 50 CDAA CN(CCC(=O)O)C(=O)c1ccc(N2CCCC2)nc1 269091343 UFKWWWLUJGCPCT-UHFFFAOYSA-N 277.324 1.229 0 50 CDAA Cc1cnc(CN2CCC[C@@H](c3cc[nH]n3)C2)cn1 670440785 APPHXCVVJSQUER-GFCCVEGCSA-N 257.341 1.888 0 50 CDAA CN(C[C@H]1CCOC1)C(=O)C1(N2CCCC2)CCCC1 670453181 XJJDAIGFLQMOKC-CQSZACIVSA-N 280.412 1.890 0 50 CDAA Cc1cc(O)nc(N2CCC[C@@H](Nc3cnccn3)C2)n1 1548521148 QZRRCGKMRUOGGG-LLVKDONJSA-N 286.339 1.362 0 50 CDAA COCC1(S(=O)(=O)NC(=O)[C@@]23C=C[C@@H](CC2)C3)CCC1 1875309625 FVELHXBHZPISCH-AAEUAGOBSA-N 299.392 1.358 0 50 CDAA C=CC(=O)N[C@@]1(CO)CCCN(Cc2ccccc2)C1 1875368523 YJEYYOKRVDPTCI-INIZCTEOSA-N 274.364 1.316 0 50 CDAA CN(C)[C@@H]1CCN(c2ncnc3c2ccn3C2CC2)C1 1875307931 WSDOPDYPYVKXSS-GFCCVEGCSA-N 271.368 1.907 0 50 CDAA C[C@@H]1CN(C[C@H](O)Cn2cccn2)CCN1C1CCCC1 952884278 WVZKDIBFAUUOIR-ZBFHGGJFSA-N 292.427 1.193 0 50 CDAA COC[C@H](NC(=O)c1ccc(C)c(Cl)c1)c1nn[nH]n1 952992607 APDNPSMVSCLQON-JTQLQIEISA-N 295.730 1.279 0 50 CDAA Cc1occc1CNS(=O)(=O)C[C@@H]1C[C@H]1C(F)F 1875289749 LZFJMSATYONMBM-VHSXEESVSA-N 279.308 1.909 0 50 CDAA CN1[C@H]2CC[C@H]1CC(O)([C@H](N)CCC(F)(F)F)C2 958528641 RDPLTQMQLVFVNE-LPEHRKFASA-N 266.307 1.644 0 50 CDAA C[C@@H]1CCN(C(=O)CCc2cc[nH]n2)CCS1 1775987364 KYEFDECSUDPSJB-SNVBAGLBSA-N 253.371 1.696 0 50 CDAA O=C(O)[C@H]1CN(CCOc2ccc(Cl)cc2)CC[C@@H]1O 1529151785 MKNOQXGYVHTJQV-STQMWFEESA-N 299.754 1.486 0 50 CDAA COc1nsc(CNc2n[nH]c(N(C)C)n2)c1Cl 1364607917 QWVOQNICZBVXBA-UHFFFAOYSA-N 288.764 1.601 0 50 CDAA O=C(NCc1ccc(F)cn1)NCc1cccnc1O 1478147197 YYVXUPOEZNFHHK-UHFFFAOYSA-N 276.271 1.321 0 50 CDAA COc1ccc(C(=O)O)c(I)c1 39304709 QBPHOFYPURZIKS-UHFFFAOYSA-N 278.045 1.998 0 50 CDAA in-vitro Cn1ccc2c(C(=O)N3CC(N[C@H]4CCOC4)C3)cccc21 1472079808 BTFUAMNDSQEQGR-LBPRGKRZSA-N 299.374 1.381 0 50 CDAA Cn1cc(Br)c(CNCc2cocn2)n1 395053271 CQEOLULNIWHYLL-UHFFFAOYSA-N 271.118 1.460 0 50 CDAA CC[C@@H]1C[C@H](C(=O)N2CCc3n[nH]cc3C2)CCO1 408159135 PNHZPKVKBJIICN-ZYHUDNBSSA-N 263.341 1.500 0 50 CDAA CCc1cccnc1C(=O)N[C@@H]1CCC(=O)N[C@H]1C 281668927 CIUKYDYDOJYNRI-GXSJLCMTSA-N 261.325 1.041 0 50 CDAA C[C@@H]1CCN(CC(=O)NC(C)(C)C)[C@@H]([C@@H](C)O)C1 408434972 UDAHDVIEIKCQOI-IJLUTSLNSA-N 256.390 1.382 0 50 CDAA COc1cccc(C(=O)N2CC(OC(F)F)C2)c1 408514269 SIZDYEKECLHEPU-UHFFFAOYSA-N 257.236 1.759 0 50 CDAA O=C(c1cc2c(cn1)OCCC2)N1CCO[C@@H](CF)C1 412552048 LZDZLNYDLVFMOG-NSHDSACASA-N 280.299 1.217 0 50 CDAA CC(C)n1c(S)nnc1CNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 225427800 VHERUOCXNCAQJG-KXUCPTDWSA-N 296.396 1.331 0 50 CDAA C[C@H](NC(=O)Nc1cnn([C@@H](C)C2CC2)c1)C(=O)N(C)C 190784634 NTIDYQJLTMFLER-UWVGGRQHSA-N 293.371 1.452 0 50 CDAA COc1ccncc1NC(=O)[C@@H]1CCCO[C@H]1C 190802110 YGGRDDCSPUCTIU-VHSXEESVSA-N 250.298 1.844 0 50 CDAA CCc1noc([C@H](C)N2CCN([C@@H](CC)C(=O)O)CC2)n1 191432485 GYPZYVMWMRMCFC-QWRGUYRKSA-N 296.371 1.174 0 50 CDAA C[C@@H](CNc1ncc(Cl)cn1)c1nncn1C 192869970 XVRKZSCDFSRSEQ-ZETCQYMHSA-N 252.709 1.474 0 50 CDAA O=C(NCC1CC1)c1nnc(-c2ccns2)o1 902792044 GFNYHNQRWAZLFA-UHFFFAOYSA-N 250.283 1.333 0 50 CDAA NC(=O)NCCC(=O)N1CCC[C@H]1Cc1cccc(F)c1 193567197 KCECGWDVXDDGCB-ZDUSSCGKSA-N 293.342 1.418 0 50 CDAA Cc1nnc(CN2CC[C@H](O)CC(C)(C)C2)s1 660738211 QJSGUTDXVBCHAG-JTQLQIEISA-N 255.387 1.829 0 50 CDAA Cc1cc(F)cc(C(=O)N[C@@H](C(=O)O)C2CCOCC2)c1 668310514 XUKFQMKXEONKDC-CYBMUJFWSA-N 295.310 1.744 0 50 CDAA CC(C)n1ccc(CNC(=O)N2CCC[C@@H](C(=O)O)C2)n1 579567341 PXNUEMNOASAXEG-LLVKDONJSA-N 294.355 1.470 0 50 CDAA CC(C)n1ccnc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 583617983 PXZJMOSRYIQEQV-AWEZNQCLSA-N 290.371 1.066 0 50 CDAA COC(=O)N1CC(C)(NC(=O)Nc2ccccc2F)C1 585079427 XWLXHXASHHTKTB-UHFFFAOYSA-N 281.287 1.788 0 50 CDAA CN(CC[C@H]1CCCCO1)C(=O)c1cnc(O)[nH]1 1506427731 ZSLALDNJGSAKNK-SECBINFHSA-N 253.302 1.147 0 50 CDAA CCN(C[C@@H]1CCCCO1)c1nc(C)cc(C(=O)O)n1 1529151780 FBKWHAPFSKAMTA-NSHDSACASA-N 279.340 1.879 0 50 CDAA CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](O)C1(C)C 408376703 TYOYOWJZHNMTNU-WOPDTQHZSA-N 254.374 1.136 0 50 CDAA COc1cc(OCCCC(=O)O)cc(OC)c1C=O 2244155 SEJSVFHBVLKHLB-UHFFFAOYSA-N 268.265 1.760 0 50 CDAA in-vitro COc1ccc(Br)cc1S(N)(=O)=O 7212860 WHYIIAFUVXCXIL-UHFFFAOYSA-N 266.116 1.105 0 50 CDAA in-vitro O=C(Cn1cc(Br)cn1)N[C@@H]1C=CCCC1 334618405 YAXXSYQIQLHESQ-SNVBAGLBSA-N 284.157 1.871 0 50 CDAA CS(=O)(=O)c1cccc(-c2nnc3n2CCCC3)c1 749739331 AAHKQUZKDAXKQQ-UHFFFAOYSA-N 277.349 1.685 0 50 CDAA CCOCC(=O)N1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O 252482545 DIXXGZQXUMMZRH-IGQOVBAYSA-N 269.385 1.811 0 50 CDAA CC(C)C(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 2325747943 LCJATCLDNYISHE-UHFFFAOYSA-N 254.374 1.637 0 50 CDAA Cc1nonc1CC(=O)N1CCSC[C@H]1C(C)(C)C 1616031850 DHBDBSGCPKNGGT-NSHDSACASA-N 283.397 1.911 0 50 CDAA CCOc1cc(N(C)CCc2nccc(O)n2)nc(C)n1 1615552208 SZZLIFYVIUKHDR-UHFFFAOYSA-N 289.339 1.358 0 50 CDAA CC(C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 471260 NZMJQIBIRZCVSS-UHFFFAOYSA-N 270.354 1.075 0 50 CDAA CC(C)S(=O)(=O)CCNc1ncccc1C(=O)O 386687948 ZJMMMQTXKYVYBB-UHFFFAOYSA-N 272.326 1.015 0 50 CDAA c1ccc2c(c1)COCc1nnc(CN3CCOCC3)n1-2 1775983933 WDGRMYKFRGKCBV-UHFFFAOYSA-N 286.335 1.130 0 50 CDAA Cc1ccc(N(CC(=O)O)S(C)(=O)=O)c(C)c1 5103087 KTSBHMVMKQEWOO-UHFFFAOYSA-N 257.311 1.154 0 50 CDAA NC(=O)c1cc(S(=O)(=O)Nc2cccnc2)cs1 16651277 JGIKHMZNHMETNM-UHFFFAOYSA-N 283.334 1.043 0 50 CDAA O=C(NCc1cccnc1)[C@@H]1CC(=O)N(c2ccccc2)C1 4749741 SUKRSOROLCLZKR-CQSZACIVSA-N 295.342 1.751 0 50 CDAA Cc1nc([C@@H]2CCn3nccc3C2)n(-c2cnn(C)c2)n1 1857679840 XRTMNFYYCPOCPU-LLVKDONJSA-N 283.339 1.236 0 50 CDAA CN(CCC[C@@H]1CCCO1)c1ncc2cn[nH]c2n1 1857682058 MSLKZZZCTUHKKC-LLVKDONJSA-N 261.329 1.748 0 50 CDAA Cc1n[nH]c(C)c1-n1ccnc1-c1cnc(N(C)C)nc1 1857685243 FJGYZIZHXNAYNS-UHFFFAOYSA-N 283.339 1.735 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2cnsc2)n1 1857686434 WRYAVCQWXALUKL-SECBINFHSA-N 264.354 1.775 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)[C@H]3CCn4nccc4C3)C2)n1 1857730500 UULRBFYXXACEML-ZDUSSCGKSA-N 299.378 1.342 0 50 CDAA O=C(NCc1ccc2c(c1)CCO2)[C@@H]1CCn2nccc2C1 1857735099 IBVDZBIZTNILED-CQSZACIVSA-N 297.358 1.697 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)c3ccn4nccc4c3)C2)n1 1857740774 MZSYKEMQBKVRRM-UHFFFAOYSA-N 295.346 1.845 0 50 CDAA COc1cc(F)ccc1-c1nccn1[C@H]1CCNC[C@@H]1O 1875243186 VCNLGHPRJKYCOT-STQMWFEESA-N 291.326 1.593 0 50 CDAA Cc1ccccc1NC(=O)C(=O)NCc1ccncc1 2958497 GKAWDJIFYSOBDY-UHFFFAOYSA-N 269.304 1.645 0 50 CDAA CCC[C@H](NC(=O)C[C@H]1CCC(=O)[C@H]1C)c1nn[nH]n1 526021353 BZGZYUDQAFATAT-AEJSXWLSSA-N 279.344 1.162 0 50 CDAA C[C@@H](N)C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 120523987 IMSIIWFIPYLMFH-UKRRQHHQSA-N 276.380 1.584 0 50 CDAA CCOCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250465425 BFZJMXRKIBMNJT-MXWKQRLJSA-N 255.314 1.267 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc2nccn2c1 353183852 AWYQYMZHZRSRAX-STQMWFEESA-N 289.335 1.258 0 50 CDAA O=C(NCCc1ccccn1)[C@H](CO)c1ccccc1 585099424 FOZPFZUJHOSQCN-OAHLLOKOSA-N 270.332 1.516 0 50 CDAA C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2cnn(C)c2)ns1 900798575 RJFXEESCTJOHJX-IONNQARKSA-N 293.352 1.302 0 50 CDAA C[C@]1(Br)C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)O 901496332 SUJBYRRTQCQMLN-RNSXUZJQSA-N 290.157 1.626 0 50 CDAA CCCCNC(=N)NCCNC(=O)c1ccc(F)cc1 848995824 YMHMEWSQGJCPGX-UHFFFAOYSA-N 280.347 1.470 0 50 CDAA O=C(c1cccc(=O)[nH]1)N1CCC(C(F)(F)F)CC1 227881573 XYOBAGRLZYYTFP-UHFFFAOYSA-N 274.242 1.789 0 50 CDAA C[C@H](C(=O)NCC(=O)O)c1ccc(Br)s1 123552367 CWDWBYFFSJGVMI-YFKPBYRVSA-N 292.154 1.815 0 50 CDAA O=C(O)c1cc2c(s1)CCOC21CCNCC1 257974410 ISFWZEJVUDTOCW-UHFFFAOYSA-N 253.323 1.598 0 50 CDAA CN1CCC(N2CCC[C@@H](CN3CCCC3)C2)CC1 32565507 PZGWUEYTZIGAMX-HNNXBMFYSA-N 265.445 1.888 0 50 CDAA O=C(NCC1CCOCC1)c1[nH]nc2c1CCCC2 194975828 FPDLKLVFORMSHR-UHFFFAOYSA-N 263.341 1.445 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCCn2cc(Cl)cn2)C1 312474958 MVKGIGLOHKWSIH-ZJUUUORDSA-N 299.758 1.544 0 50 CDAA Cc1nc([C@@H]2CCCCN2Cc2nccc(=N)[nH]2)n[nH]1 408473344 RTXVBCFMMAVJQH-JTQLQIEISA-N 273.344 1.043 0 50 CDAA Cc1csc(CN(C)C[C@@H]2CCS(=O)(=O)C2)n1 330364577 RXBKMVUJQOQTSM-JTQLQIEISA-N 274.411 1.318 0 50 CDAA COc1cccc(-c2cnn(C)c2C(=O)O)c1OC 534584393 DFKBTXRZGHYIOJ-UHFFFAOYSA-N 262.265 1.803 0 50 CDAA COc1cc(NC[C@H](C(C)C)N(C)C)nc(N)n1 534659076 LBSSMDKORYSURC-SECBINFHSA-N 253.350 1.066 0 50 CDAA O=C1CCCCN1[C@@H]1CCCN(CCCCO)C1 370900587 SEDZXFJIQKZQSS-CYBMUJFWSA-N 254.374 1.236 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC 41492 LJUQDYXWWBUTQU-LBPRGKRZSA-N 276.292 1.496 0 50 CDAA CCn1ncnc1[C@@H](C)Nc1ncc2ncn(C)c2n1 2100483770 NQLUQBCVGPMNHZ-MRVPVSSYSA-N 272.316 1.148 0 50 CDAA CCCn1cnc(NC(=O)Cc2n[nH]c3ccccc23)n1 2100533951 MUIROAJHZQFPLZ-UHFFFAOYSA-N 284.323 1.746 0 50 CDAA NC(=O)c1cc(C(=O)NCC[C@H]2CCc3ccccc32)n[nH]1 2325864286 LKPFFVRSEWHZBZ-LLVKDONJSA-N 298.346 1.359 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 73710 PFDSNAFLIPVFIP-ZDUSSCGKSA-N 290.319 1.838 0 50 CDAA C[C@@H](NC(=S)NCc1ccco1)[C@H]1CCCO1 609276 WPGCVOSVTIYCLI-MWLCHTKSSA-N 254.355 1.811 0 50 CDAA CCOC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C 4100882 YWWWGFSJHCFVOW-QMMMGPOBSA-N 257.286 1.476 0 50 CDAA O=C1C[C@@H](NC[C@@H]2CCCO2)C(=O)N1c1ccc(F)cc1 4903734 JWUKCIQEXQYHGG-QWHCGFSZSA-N 292.310 1.226 0 50 CDAA CCCSCC(=O)NC[C@@H]1CCN(CCC)C1 53405375 LLCHIAQLQBERCA-LBPRGKRZSA-N 258.431 1.978 0 50 CDAA C1CC(c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)CCO1 114055984 QKSFAQJAXXKHCC-MXWKQRLJSA-N 250.298 1.999 0 50 CDAA COc1ccc(C=O)cc1CN1C(=O)NC(C)(C)C1=O 9694736 PLXSGMWHOFXALV-UHFFFAOYSA-N 276.292 1.338 0 50 CDAA COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 101357416 VEKIGZBUNOPUNV-NDBYEHHHSA-N 271.272 1.138 0 50 CDAA CCOC(=O)[C@H]1[C@H]2NC(=S)N[C@@]1(C)Oc1ccccc12 100033828 RTLLPSILKQLBGZ-SUNKGSAMSA-N 292.360 1.493 0 50 CDAA C/C(Cl)=C/CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 104288024 RLHSXOHTBSCPIN-LJARYAAPSA-N 251.713 1.936 0 50 CDAA COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Cl)c1O 100291351 FYVYVFHWFLMPGE-YWEYNIOJSA-N 298.751 1.742 0 50 CDAA Cc1ccc2[nH]c(CNC(=O)c3ccon3)nc2c1 174874640 HYLOUEDOMQMJOB-UHFFFAOYSA-N 256.265 1.789 0 50 CDAA CC(C)c1noc(CCNC(=O)[C@H]2CCCO2)n1 68162971 NHHMUJJMGIASKK-SECBINFHSA-N 253.302 1.031 0 50 CDAA CCn1cnnc1CCNC(=O)C(C)(C)c1ccccc1 67724581 DGLPKACHMQQFQK-UHFFFAOYSA-N 286.379 1.935 0 50 CDAA Nc1nnc(CCNC2CSCCSC2)s1 67432998 ZEVMVSJZJRQWNM-UHFFFAOYSA-N 276.456 1.101 0 50 CDAA C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cnnn2)cc1 20426997 PZCWAVISVDNOJB-FZMZJTMJSA-N 285.351 1.971 0 50 CDAA Cc1nn(C(F)F)c(C)c1CC(=O)NC[C@H]1CCCO1 143485916 RUFNQTNDUNBFJR-SNVBAGLBSA-N 287.310 1.733 0 50 CDAA CCCCCC(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C 67885465 HLIQIGLFJRSSPY-RYUDHWBXSA-N 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CDAA CC(C)Oc1ccccc1-c1n[nH]c(SCC(N)=O)n1 5817442 XJTWXAIGNLJSDA-UHFFFAOYSA-N 292.364 1.836 0 50 CDAA C[C@H]1C[C@@H]1C(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1647600867 BJFOSWMMUBEGLW-ITDIGPHOSA-N 282.347 1.935 0 50 CDAA Cn1c(CCN2C(=O)C[C@H]3NCC[C@H]32)nc2ccccc21 1857707064 XYDFBLSFLJXWRK-TZMCWYRMSA-N 284.363 1.079 0 50 CDAA C[C@@]1(c2ccc(F)cc2)C[C@H]1NC(=O)Cc1cc[nH]n1 1857527031 LVZCTQGTFNBNGQ-HIFRSBDPSA-N 273.311 1.938 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCNC(C)(C)C3)n[nH]c21 1857529154 IIUPFGAQAGEBDK-ZJUUUORDSA-N 292.383 1.256 0 50 CDAA Cc1nonc1CNC(=O)c1ccc2sc(=N)[nH]c2c1 1857716411 LJCCQGZJPCVKAW-UHFFFAOYSA-N 289.320 1.330 0 50 CDAA Cn1nnc(-c2ccc(OC[C@@H]3CC4CCN3CC4)cc2)n1 1857683956 SPZBZSJFJOMZFT-AWEZNQCLSA-N 299.378 1.740 0 50 CDAA Cn1nccc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 334369689 UYIOPVBCACUOMT-LLVKDONJSA-N 299.378 1.652 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1cccn1C(F)F)C2 1875243786 XFCWKVDVZCUUSB-QWRGUYRKSA-N 299.321 1.286 0 50 CDAA O=C(NC[C@H]1CCOC1)N[C@H]1CCN(c2ccccc2)C1 110580352 PSMGSUNXZOOHNY-KGLIPLIRSA-N 289.379 1.601 0 50 CDAA Cc1nn(C)c(NC(=O)c2cc(OC(F)F)n(C)n2)c1C 330948946 NEUUNEWGSNQFCJ-UHFFFAOYSA-N 299.281 1.624 0 50 CDAA NC(=O)C[C@@H]1CCN(Cc2cccc3c2CCOC3)C1 639645403 ISKXYBMBIMYAGK-LBPRGKRZSA-N 274.364 1.457 0 50 CDAA O=C([C@@H]1CCCCN1C[C@H]1CCCCO1)N1CCOCC1 245404684 QDNQTCYQJLORKQ-CABCVRRESA-N 296.411 1.269 0 50 CDAA C[C@](NC(=O)c1cnn2c1CCC2)(C(=O)O)c1ccccc1 663141489 MFNUREHVJQNBFP-MRXNPFEDSA-N 299.330 1.559 0 50 CDAA COc1ccc(CC(=O)N[C@@H]2CCCNC2)c(C)c1 911671750 BUGVSAQYOQTTDT-CYBMUJFWSA-N 262.353 1.414 0 50 CDAA CNC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1 849121005 HRMAJKMYUULJJZ-UHFFFAOYSA-N 297.318 1.200 0 50 CDAA C[C@@H]1CN(CC(=O)Nc2ccccn2)Cc2c[nH]nc21 931468238 WNDJGVWBMRYYLY-SNVBAGLBSA-N 271.324 1.363 0 50 CDAA CN(Cc1cn[nH]c1)C(=O)C[C@@H]1CC(=O)Nc2ccccc21 932826900 PCZNATIGHNBCPZ-LBPRGKRZSA-N 298.346 1.884 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)c(C)c1O 222540882 IGVKWANRXSKCTD-WDEREUQCSA-N 279.292 1.580 0 50 CDAA O=C1CN(Cc2cscn2)[C@@H]2CCCC[C@@H]2N1 225304865 VFYOMJDUSJPICV-WDEREUQCSA-N 251.355 1.386 0 50 CDAA CN1C(=O)C[C@H](Nc2ccc(C(F)(F)F)cn2)C1=O 115263445 RNLJMBHBTFAKJD-ZETCQYMHSA-N 273.214 1.270 0 50 CDAA C[C@H]1CN(CC(=O)NCc2ccco2)C[C@@H](C)O1 13322507 AVPITCZNABFOAI-PHIMTYICSA-N 252.314 1.005 0 50 CDAA O=C(NC[C@]1(O)CCNC1)Nc1ccccc1Cl 299800342 WYUMPJUHFYVRGK-LBPRGKRZSA-N 269.732 1.186 0 50 CDAA Cc1nnc(N[C@H]2CC(=O)N(C)C2)c2ccccc12 312123566 XIHJPXGLXQGYCB-JTQLQIEISA-N 256.309 1.581 0 50 CDAA CCO[C@@H]1C[C@H](NCc2nnnn2C)C12CCCCC2 328586770 MDYLCIQOJMYXOF-NWDGAFQWSA-N 279.388 1.428 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C[C@@H](O)c2ccccc2C)C1 530168250 BIIFUVALSGYQHM-HIFRSBDPSA-N 279.336 1.204 0 50 CDAA Cc1c[nH]c(CN[C@H]2CCCSC2)c(C)c1=O 534656868 FXMUIDUHFNDZIR-NSHDSACASA-N 252.383 1.977 0 50 CDAA FC(F)(F)c1noc(CN2CCC3(CCNCC3)C2)n1 534655135 PAYOQCWPPKMYRQ-UHFFFAOYSA-N 290.289 1.664 0 50 CDAA Cn1ccnc1CCN1CC[C@@](O)(c2ccccc2)C1 670440804 KIQDCZIDMPWMBT-INIZCTEOSA-N 271.364 1.556 0 50 CDAA CNC(=O)CN1CCC(N[C@@H]2C[C@H]3CC[C@H](C3)C2)CC1 710984671 IVNMCYGCOVIRBL-NHAGDIPZSA-N 279.428 1.365 0 50 CDAA Cc1nc2n(n1)CCN(C[C@@H](O)CC1CCCC1)C2 375480052 CHTGVAOONBIUPG-ZDUSSCGKSA-N 264.373 1.343 0 50 CDAA CC1=NN(C(=O)CSc2ccccn2)[C@@](C)(O)C1 58473 NKQJXKSRXAVYAH-LBPRGKRZSA-N 265.338 1.490 0 50 CDAA CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)cc[nH]1 822074892 ZDFIQMFAFCYWAE-DGCLKSJQSA-N 264.325 1.452 0 50 CDAA N[C@H]1CCCN(S(=O)(=O)[C@@H]2CCc3ccccc3C2)C1 2325801110 WIUJYAUJLJLSNW-LSDHHAIUSA-N 294.420 1.297 0 50 CDAA Cc1cccc2nc(CNC(=O)[C@H]3C[C@@](F)(CO)C3)cn12 2325805412 GVXGHAOXRRXUIZ-FUKZOUPISA-N 291.326 1.370 0 50 CDAA C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C[C@@H]1CCCC(=O)N1 899406620 MZFKCRBMBNYGBJ-QNWJLWSRSA-N 264.369 1.454 0 50 CDAA CN(C)CCn1c2c(c3ccccc31)CCCn1nnnc1-2 199605 XKCDHMMEPPYALL-UHFFFAOYSA-N 296.378 1.803 0 50 CDAA COC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C 202042 UBMMRLLSCFKAGE-UHFFFAOYSA-N 272.304 1.700 0 50 CDAA CN1C(=O)[C@](O)([C@@H]2OC(C)(C)CCC2=O)c2ccccc21 203164 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CCN1CCC[C@H](CCNS(=O)(=O)N(CC)CC)C1 67821740 HWSXUVWNUBTNJX-CYBMUJFWSA-N 291.461 1.285 0 50 CDAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccncc1F 20209603 WPRNJVUHQQPWJH-CYBMUJFWSA-N 293.342 1.694 0 50 CDAA Cc1nc(CNC(=O)N[C@H]2CCN3CCCC[C@@H]23)cs1 229166814 YIZGYBUANGKIJL-STQMWFEESA-N 294.424 1.878 0 50 CDAA Cc1cc(NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccn1 119305552 ZJRZXZJMWPCKSR-LLVKDONJSA-N 283.353 1.041 0 50 CDAA O=C(NCCCNc1cccnc1)c1cccnc1 67649893 XOFFUKSBMRABID-UHFFFAOYSA-N 256.309 1.709 0 50 CDAA Cn1ncc2c(O)c(C(=O)NCC3(C4CC4)CC3)cnc21 119421197 KDRMBOINJLUEIF-UHFFFAOYSA-N 286.335 1.594 0 50 CDAA O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cc(C2CC2)[nH]n1 229387220 FYGPQGNITZQMOM-FZMZJTMJSA-N 274.368 1.644 0 50 CDAA CN1CCN(C(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)CC1 20328034 OPKZHOCEGPTLQZ-AWEZNQCLSA-N 291.326 1.093 0 50 CDAA NCC1(COc2ncnc3cc(F)c(F)cc23)COC1 252487220 HTAIYEBPBXNFGK-UHFFFAOYSA-N 281.262 1.262 0 50 CDAA CCOC(=O)c1n[nH]cc1CN1CCC[C@@]2(CCNC2)C1 67820048 HVDHXQDIPJICGM-HNNXBMFYSA-N 292.383 1.162 0 50 CDAA CC1=NO[C@@H](CNC(=O)c2ccn(C(C)C)n2)C1 521395352 PEOQBESAYFNBMV-SNVBAGLBSA-N 250.302 1.359 0 50 CDAA COc1ccc([C@H]2NC(=O)c3c(cnn3C)N2)cc1 488514 VYKWQEVUJOSUQC-GFCCVEGCSA-N 258.281 1.283 0 50 CDAA C[C@H](Cn1cccn1)NCc1cc(F)ncc1F 253426750 ASZMSEDAPGOLCQ-SECBINFHSA-N 252.268 1.735 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCNC[C@H]2C)s1 124857400 KMMVKFCGOHLEEC-CDAZIORVSA-N 251.355 1.285 0 50 CDAA O=C(Nc1cnns1)c1cncc(Br)c1 127615387 RURUILQYEOZREX-UHFFFAOYSA-N 285.126 1.948 0 50 CDAA CNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 125875217 OEBZJTIZUWANAG-PBQZMEPESA-N 283.331 1.499 0 50 CDAA C[C@H](NC(=O)c1ccncc1Cl)[C@H](C)N1CCOCC1 174294344 NYMMGMPQELDOBM-QWRGUYRKSA-N 297.786 1.574 0 50 CDAA Cc1cc(C(=O)N2CCN[C@@H](C)C2)nc2ccccc12 155030491 WLBGDANJRVCBNG-LBPRGKRZSA-N 269.348 1.977 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC(CCN)CC2)cc1 34927272 LGWTYKKOWIXVAF-UHFFFAOYSA-N 282.409 1.745 0 50 CDAA CC(C)(C)[C@@H]1OCC[C@H]1c1noc([C@@H]2CCC(=O)N2)n1 333622065 ULWJRQLLUOKBNT-WCABBAIRSA-N 279.340 1.939 0 50 CDAA Cc1cn2c(n1)CN(C[C@H](O)CC(F)(F)F)CC2 372733859 BDBXZIBBDHJUHP-SECBINFHSA-N 263.263 1.320 0 50 CDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)C1CCC1 238099940 PDWSMVQQJDSZOL-LLVKDONJSA-N 255.314 1.269 0 50 CDAA Cc1nc[nH]c1-c1nccn1[C@@H](C)c1cnn(C)c1 71415561 QLNAONORZHBMPH-JTQLQIEISA-N 256.313 1.924 0 50 CDAA CC(C)c1cc(C(=O)NCC[C@H]2CCCN2C)n(C)n1 72422296 DGIIHZLSNSFFMC-GFCCVEGCSA-N 278.400 1.758 0 50 CDAA CN1CCO[C@@H]2CN(C(=O)C3CC4(CCC4)C3)C[C@@H]21 335343775 AXXBTZXSMCDTNA-QWHCGFSZSA-N 264.369 1.108 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@@H](C)O1 180715518 HMPYXNAVJRIISM-BBGACYKPSA-N 298.408 1.076 0 50 CDAA Cc1cnc(NC(=O)N2CC[S@](=O)CC[C@H]2C)s1 336197982 PGSTVVZIKCWHNU-NTCNTBNZSA-N 287.410 1.826 0 50 CDAA Cc1c[nH]nc1CN[C@H]1CCN(C(=O)Cc2ccccc2)C1 377775008 ZKTIYKOEMKZQGB-HNNXBMFYSA-N 298.390 1.651 0 50 CDAA CC[C@H]1COCCN1C(=O)c1cc(-c2cccn2C)n[nH]1 77298398 OZRZOBNFWFQQEV-NSHDSACASA-N 288.351 1.666 0 50 CDAA O=C(CCCCc1ccccc1)N1CCOC[C@@H](CO)C1 77392918 FWHVCYPXZAMKIL-MRXNPFEDSA-N 291.391 1.867 0 50 CDAA Cc1ccc2c(C)c(C(=O)N3CC[C@H](O)[C@@H](O)C3)oc2c1 72156174 NBDXAYKIMUSTPB-STQMWFEESA-N 289.331 1.617 0 50 CDAA C/C=C/Cc1nnc(C(=O)N(C)Cc2ncc[nH]2)o1 71759237 UXGFPGGIWQZSJA-ONEGZZNKSA-N 261.285 1.184 0 50 CDAA NC(=O)c1cccc(CNC[C@]2(O)CCc3ccccc32)c1 132038725 HAGXYMBJIXZBJI-GOSISDBHSA-N 296.370 1.709 0 50 CDAA C[C@@H](Cn1cncn1)NC(=O)Cc1c(F)cccc1Cl 221257574 ULTODLXERYCQFF-VIFPVBQESA-N 296.733 1.818 0 50 CDAA COC[C@@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C 82092140 ORYLSRIPSLBYLN-ZDUSSCGKSA-N 279.384 1.607 0 50 CDAA Cn1ncnc1NS(=O)(=O)c1cccc2cccnc12 177754903 ILNPFDIGJINLKH-UHFFFAOYSA-N 289.320 1.164 0 50 CDAA CNC[C@H]1CCN(C(=O)c2ccc(N3CCCC3)nc2)C1 178974472 LSJYCMGRKRHQAI-CYBMUJFWSA-N 288.395 1.363 0 50 CDAA Cc1ccc(CCNC(=O)c2n[nH]c3c2CCC3)o1 426647431 YXTMXYPIIGATIG-UHFFFAOYSA-N 259.309 1.772 0 50 CDAA Cc1ccc(F)c(C(=O)N2CCc3nc[nH]c(=O)c3C2)c1 179056850 YCIQVSQNWXYRPJ-UHFFFAOYSA-N 287.294 1.416 0 50 CDAA O[C@@H](c1cc2n(n1)CCN(Cc1ccncc1)C2)C1CC1 221443327 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DBEMXDYGWKPWRV-CYBMUJFWSA-N 276.384 1.930 0 50 CDAA COCc1cc(NCCCN2CCCC2)n2nccc2n1 72431218 VBDLVDUEIQJOFK-UHFFFAOYSA-N 289.383 1.774 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(c2ncnc3[nH]ccc23)C1 284481913 GQPJKKVUGRBPPV-SCZZXKLOSA-N 285.311 1.042 0 50 CDAA COCc1cc(C(=O)N(C)C2CCNCC2)ccc1F 237187995 URBXZYKZKHEGAS-UHFFFAOYSA-N 280.343 1.796 0 50 CDAA O=C(NC[C@H](CO)C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H]1O2 333978053 ZNVBIXWAMHOBQZ-TUVASFSCSA-N 281.396 1.859 0 50 CDAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc2ccnn12 72162319 GMCRIJDEGXGDBQ-JKSUJKDBSA-N 293.326 1.722 0 50 CDAA CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](N)C2)cc1 158430015 PWRWNYJOKIGDOH-MRZGDXHCSA-N 287.363 1.009 0 50 CDAA O=C([C@@H]1CCCN1)N1CCO[C@H](c2ccccc2Cl)C1 237648411 KCEUNLKJINKETI-KBPBESRZSA-N 294.782 1.992 0 50 CDAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1C[C@H]1C(=O)O 262664180 VGHVVPPVOPXKSU-ZIAGYGMSSA-N 299.330 1.551 0 50 CDAA CC(C)CC1(C(=O)N2CCN([C@@H]3CCNC3)CC2)CCC1 377529984 KNKIOOKBSQMPRU-OAHLLOKOSA-N 293.455 1.709 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)CC[C@@H]2CCCO2)cn1 262852468 XETFUJMTVOXRAK-NSHDSACASA-N 295.339 1.601 0 50 CDAA O=C(NC1(C(=O)O)CCCC1)[C@@H](O)c1cccc(Cl)c1 217182391 BIOQCLRLJGIPBA-NSHDSACASA-N 297.738 1.887 0 50 CDAA CC[C@H](NC(=O)c1cc(N)[nH]n1)c1ncccc1C 223483016 XQYPHFIQPRTSIU-VIFPVBQESA-N 259.313 1.576 0 50 CDAA CCS[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2)C1 242155959 WURXYQOTIRSJAY-QJPTWQEYSA-N 256.415 1.919 0 50 CDAA OCCN1CCN(Cc2ccccc2OC2CC2)CC1 242346985 ZKUKJEFUVGEGTK-UHFFFAOYSA-N 276.380 1.338 0 50 CDAA CCN1CC[C@H]2OCCN(Cc3cncc(C)c3)[C@H]2C1 339395486 RFGFWAGFRLZBGX-JKSUJKDBSA-N 275.396 1.685 0 50 CDAA Cc1nc([C@H](C)NC(=O)CNC(=O)N(C)C)c(C)s1 223604308 WINRSGPYGMPESX-ZETCQYMHSA-N 284.385 1.208 0 50 CDAA COc1cc(F)ccc1CNC(=O)CCC(=O)O 426589946 HKBLENFTIFCYBN-UHFFFAOYSA-N 255.245 1.315 0 50 CDAA COCCOC1CCN(C(=O)Cc2ccncc2)CC1 221225675 RVQCDXWRCKIPHG-UHFFFAOYSA-N 278.352 1.278 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)CCOCc1ccccc1 178276655 GHRJYSKPIRSWET-ZDUSSCGKSA-N 277.320 1.669 0 50 CDAA Cc1ccc(=O)n([C@H](C)C(=O)Nc2ccc(F)cc2)n1 44394799 JBCNKKQAOLHVGW-SNVBAGLBSA-N 275.283 1.891 0 50 CDAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 223412576 MXUUXXRRGJHRKN-NSHDSACASA-N 284.319 1.540 0 50 CDAA C1C[C@H](c2nnc3n2CCC3)CN(CC2CCNCC2)C1 178980452 BORKZAYWQYYTFJ-AWEZNQCLSA-N 289.427 1.403 0 50 CDAA COc1nc(C)cc(C)c1CNC(=O)c1cccc(=O)[nH]1 221248565 MZBOWJUYHFJUEA-UHFFFAOYSA-N 287.319 1.325 0 50 CDAA Cc1cccc(-n2nc(C)nc2Cn2nccn2)c1 96148920 PXMBVNGQXFMEGG-UHFFFAOYSA-N 254.297 1.524 0 50 CDAA O=C([C@@H]1CCNC1)N1CCN(c2cc(F)ccc2F)CC1 237819109 JSWKEKDSXCWZFM-LLVKDONJSA-N 295.333 1.223 0 50 CDAA CN[C@@]1(c2c(C)nn(C)c2Cl)CCCCC1=O 96027603 QHRBVXHGXFGVCH-LBPRGKRZSA-N 255.749 1.940 0 50 CDAA CCc1cc(NC[C@H](O)CN2CCCCC2)ncn1 95360081 GJSABSWTHBFVFP-ZDUSSCGKSA-N 264.373 1.298 0 50 CDAA Cc1n[nH]c(C)c1-c1ccc(CN2CCN(C)CC2)cn1 97514471 XDJQZNNZTRTNDZ-UHFFFAOYSA-N 285.395 1.836 0 50 CDAA Cc1nc(CCN(C)C(=O)CC[C@@H]2CCCN(C)C2)no1 92045744 PTDBGVZTQXFKHQ-ZDUSSCGKSA-N 294.399 1.501 0 50 CDAA COCc1noc(CN2CCC[C@@H](c3ncc[nH]3)C2)n1 331893920 WHVUNIJXRLVOOK-SNVBAGLBSA-N 277.328 1.319 0 50 CDAA COCCN(C)C[C@@H]1CN(c2cccc(C)n2)C[C@@H]1CO 91644937 KFVTZOPTTIYJJU-HUUCEWRRSA-N 293.411 1.013 0 50 CDAA COc1ncncc1NC(=O)N1CC[C@@H](O)CC(C)(C)C1 296781812 ZWPURIXUOCQTNV-SNVBAGLBSA-N 294.355 1.500 0 50 CDAA CSC[C@@H](O)CN[C@H]1CCc2c(O)cccc21 296926700 WWZPIQQRGNKZCM-CABZTGNLSA-N 253.367 1.693 0 50 CDAA CC(C)c1cc(CN2C[C@H](O)[C@@H](N3CCCCC3)C2)no1 252489926 KEZKVCJRDSLOJI-GJZGRUSLSA-N 293.411 1.829 0 50 CDAA CC(=O)N1CCC(N[C@H]2C[C@H](c3cc(O)ncn3)C2)CC1 253535151 DVJUUYQZEVGHMG-AULYBMBSSA-N 290.367 1.029 0 50 CDAA CCCOCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 299738367 IQDNEVASCZOIDU-UTUOFQBUSA-N 269.341 1.657 0 50 CDAA CNC[C@H]1CCN(C(=O)c2ccc(F)c(COC)c2)C1 299738606 CTGSLUSGJROPKU-LLVKDONJSA-N 280.343 1.654 0 50 CDAA Cc1c(Br)cccc1S(=O)(=O)CCO 255189168 OELLGULNZXLZSC-UHFFFAOYSA-N 279.155 1.524 0 50 CDAA C=CC(=O)Nc1ccc2c(c1)CCN2C(=O)COC 863971408 RYHTYASXVYAJGB-UHFFFAOYSA-N 260.293 1.347 0 50 CDAA CC(C)C1=NO[C@@H](C(=O)NCC2(CN3CCCC3)CC2)C1 534659165 WAEJNCWWXVFYIE-CQSZACIVSA-N 293.411 1.780 0 50 CDAA O=C(CCCc1cn[nH]c1)NCc1cc(C2CC2)on1 534642857 FQJXCDIIZLDCPZ-UHFFFAOYSA-N 274.324 1.914 0 50 CDAA COCC(C)(C)CNC(=O)CC[C@H](C)N1CCN(C)CC1 534649974 ALUXVEPPHCBEPU-AWEZNQCLSA-N 299.459 1.191 0 50 CDAA C[C@H](NCCCn1cc(CO)nn1)[C@@H]1CC2CCC1CC2 630060995 VINKOJZQGWYMFN-USPMSXPRSA-N 292.427 1.965 0 50 CDAA CN1CCc2ccc(C(=O)Nc3cnn4c3NCCC4)nc21 1940195118 MENALXOZZHCIHV-UHFFFAOYSA-N 298.350 1.338 0 50 CDAA C=Cc1ccc(NC(=O)NC[C@H]2COCCO2)cc1 299800654 XFBWKZSLVVLBBG-ZDUSSCGKSA-N 262.309 1.867 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)c1cc(CO)ccn1 299758841 QSPCCEYWCKBEBN-SNVBAGLBSA-N 289.339 1.066 0 50 CDAA Cn1nc2cccc(NC(=O)NC3CCOCC3)c2n1 299775660 MECGPDFGUFKDAS-UHFFFAOYSA-N 275.312 1.269 0 50 CDAA CSCCN1CCN(C(=O)c2n[nH]cc2Cl)CC1 299781124 QVIILRHMWRDLPG-UHFFFAOYSA-N 288.804 1.184 0 50 CDAA CC(C)(CO)S(=O)(=O)Cc1ncc(C2CC2)o1 1857532070 DYZOBWHHDSZFKX-UHFFFAOYSA-N 259.327 1.238 0 50 CDAA CC(C)c1ocnc1C(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 584894065 VSGOAGGCPRTHGV-RYUDHWBXSA-N 293.367 1.079 0 50 CDAA Cc1nnc(CCNC(=O)N2CCC(F)(F)CC2)s1 584888985 PLIUSMQGXFCRDS-UHFFFAOYSA-N 290.339 1.830 0 50 CDAA CC(C)Cc1nc(-c2ccncc2)n(CCCO)n1 670439957 YMUKZSVTRKHTPS-UHFFFAOYSA-N 260.341 1.921 0 50 CDAA COc1ccc2[nH]c(CNC(=O)[C@H]3C=CCN3)cc2c1 670446556 MOXCYKWNAJXPRQ-CQSZACIVSA-N 271.320 1.321 0 50 CDAA COc1ccccc1CCc1ncnn1CCCO 670450897 AHXNTMOEUQEPHX-UHFFFAOYSA-N 261.325 1.454 0 50 CDAA CC(C)(CNC(=O)N1C[C@@H]2CC[C@]2(N)C1)C1CCOCC1 1553535066 OFMVRJQVBYBZMV-BBRMVZONSA-N 295.427 1.572 0 50 CDAA Cc1ncc(Cl)c(C(=O)N2CC[C@H](C)[C@@H]2C(=O)O)n1 1875277356 HDVUFFMLHIZABP-QUBYGPBYSA-N 283.715 1.374 0 50 CDAA O=C(NN1CCCCC1=O)c1coc(C2CCOCC2)n1 1875261627 ZERKKGMTHLMHGZ-UHFFFAOYSA-N 293.323 1.226 0 50 CDAA N[C@@H](C(=O)N[C@H]1C[C@@H](N)C1)c1ccc(-c2ccccc2)cc1 1875287463 LGXRJDKTHOTRKX-IXDOHACOSA-N 295.386 1.959 0 50 CDAA CNC(=O)OC1CCN(C(=O)c2ccccc2)CC1 1875328255 IGIWUFCUXOABOQ-UHFFFAOYSA-N 262.309 1.647 0 50 CDAA C[C@H]1CN(CCNC(=O)c2cnc(Cl)s2)CCO1 1875311555 FCAQWTHZRPRJHY-QMMMGPOBSA-N 289.788 1.247 0 50 CDAA C=CC(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 1875369794 IEKCWNCHWUQRJX-WDEREUQCSA-N 268.357 1.982 0 50 CDAA CON(C)C(=O)CCN1CCCC[C@@H]1c1cc(C)[nH]n1 952995020 AKAQWPXZLCCAMC-CYBMUJFWSA-N 280.372 1.655 0 50 CDAA C[C@H](Cn1cncn1)C(=O)NCCCc1ccco1 952983351 PGMYFDBSABLJDO-LLVKDONJSA-N 262.313 1.256 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N1[C@@H](C)C[C@H](CN)C[C@H]1C 888095977 MPMINJQHOOISDC-CRWXNKLISA-N 291.395 1.823 0 50 CDAA C=CC(=O)N[C@]1(c2ccc(S(C)(=O)=O)cc2)CCOC1 888098778 OQGDSTWVCCAMMG-CQSZACIVSA-N 295.360 1.008 0 50 CDAA Cc1nc(-c2ccco2)ccc1C(=O)N1CC[C@@H]1CO 889136985 SLDDSCJEAGYLHH-LLVKDONJSA-N 272.304 1.857 0 50 CDAA O=C(NCc1cc(=O)cc[nH]1)C1(Cc2ccc(O)cc2)CC1 1775159637 WQIXXVHMCQNGJO-UHFFFAOYSA-N 298.342 1.720 0 50 CDAA CN(C)C/C=C/C(=O)N1CCC2(CCOC2)CC1 1775988875 NQWVFQMZLTZZOU-ONEGZZNKSA-N 252.358 1.133 0 50 CDAA COc1cccc([C@H](C)C(=O)N2CCCC2(CO)CO)c1 1775994388 FQCYAZBSFHRIDF-LBPRGKRZSA-N 293.363 1.145 0 50 CDAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2ccon2)C1 1775957473 WURLXKPWVVFEGO-DZGCQCFKSA-N 289.335 1.738 0 50 CDAA C=CC(=O)NCc1ccnc(N2CCO[C@@H](C)C2)c1 1776000266 KYAFPVBUJPLMAP-NSHDSACASA-N 261.325 1.109 0 50 CDAA C[C@@H]1OCCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)[C@H]1C 248921667 FFHNTCYWCXUHCO-OSFYFWSMSA-N 276.380 1.958 0 50 CDAA C[C@@H]1COCCN1C(=O)c1ccccc1-n1ccnn1 272984620 ZEQKEBPGGHLLSB-LLVKDONJSA-N 272.308 1.128 0 50 CDAA Cc1nccc(N2CCN(Cc3ccc(CO)o3)CC2)n1 273776201 RVCZBLDRWANJET-UHFFFAOYSA-N 288.351 1.193 0 50 CDAA CC(=O)N1CCn2ncc(-c3cccc(C(=O)O)c3)c21 1589093488 BNNYIGNEBJKMNH-UHFFFAOYSA-N 271.276 1.615 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 276853313 XZXHSAFLGOCPTN-DLOVCJGASA-N 263.341 1.718 0 50 CDAA COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1C[C@H](O)CN1 277711150 IRYDWOKEBBARMR-NWDGAFQWSA-N 298.770 1.030 0 50 CDAA COCc1noc(CSc2nccn3ccnc23)n1 170618016 NJNKHIXRMVATHW-UHFFFAOYSA-N 277.309 1.551 0 50 CDAA CC(C)[C@H](CO)C(=O)NC[C@](C)(O)c1ccccc1 170600694 AKFSOORCDJGFSP-ZFWWWQNUSA-N 265.353 1.275 0 50 CDAA CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[C@@]2(O)CCOC2)CCN1C 633554341 DBWIHUUWEJNBBV-WOSRLPQWSA-N 298.427 1.011 0 50 CDAA O=C(CO)N1CCSC[C@H]1c1ccc(Cl)cc1 305698002 FFAOBXMUAZLTHG-NSHDSACASA-N 271.769 1.949 0 50 CDAA Cc1nc(CN2CCO[C@H](C)[C@H]2C(=O)O)c(C)s1 692493805 QRDQYMAADORWDE-HQJQHLMTSA-N 270.354 1.434 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2c(C)noc2C)C1 644117649 ISZYEJLXTXQYAD-MNOVXSKESA-N 290.323 1.617 0 50 CDAA O=C(COCc1cccnc1)N1CC[C@@H](O)C12CCCC2 558506804 JZZHNVGHQKVGHC-CQSZACIVSA-N 290.363 1.504 0 50 CDAA CNc1nc(N[C@@H]2CCC[C@@H]2O)ncc1Br 195575376 QIYZTDXEEGFJKN-SFYZADRCSA-N 287.161 1.606 0 50 CDAA O=C(O)C1(C(=O)N2CC[C@H](N3CCCCC3)C2)CC=CC1 663115345 SBEVNOSOPVXYEV-ZDUSSCGKSA-N 292.379 1.494 0 50 CDAA Cc1ccn(-c2ccc(NC(=O)[C@@H]3CC[C@H]3C(N)=O)cc2)n1 577767870 NQZFOKXBVSNFDG-ZIAGYGMSSA-N 298.346 1.631 0 50 CDAA CCc1oc(C(=O)O)cc1CN(C)CCn1cccn1 578019074 JKIXPYYLQCGFAS-UHFFFAOYSA-N 277.324 1.869 0 50 CDAA O=C(O)c1cccc(NCC2(O)Cc3ccccc3C2)n1 581477425 FLUPOCWTNGLZOU-UHFFFAOYSA-N 284.315 1.722 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)n[nH]1 582741138 XMXLSZJIWZBBJN-RNFRBKRXSA-N 291.229 1.053 0 50 CDAA C[C@H](NC(=O)c1ccc2nc(O)oc2c1)c1cn[nH]c1 677471910 LIHDBMLZCPUBPK-ZETCQYMHSA-N 272.264 1.748 0 50 CDAA COC(=O)[C@H]([C@@H](C)O)N(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585089940 WMVMTGQHJPSNTF-LARJDALCSA-N 283.368 1.194 0 50 CDAA CN(CC(=O)O)C(=O)c1ncsc1Br 698681554 KJNLTLRPQSVDHD-UHFFFAOYSA-N 279.115 1.062 0 50 CDAA Cc1c(NC(=O)CN(C)CCc2ccccn2)cnn1C 1506414599 QSDORIQPZOPWLF-UHFFFAOYSA-N 287.367 1.237 0 50 CDAA COc1cccc(C)c1C(=O)N1CC[C@H](C(=O)O)C1 1506421533 IATSORUOCQHUOT-JTQLQIEISA-N 263.293 1.550 0 50 CDAA Cc1ccccc1SCC(=O)NC[C@H]1CCNC[C@@H]1O 215020835 UCOCPHOFPJXVFD-OLZOCXBDSA-N 294.420 1.174 0 50 CDAA CC(C)CN(C(=O)CSc1ncc(CO)n1C)C1CC1 304773733 BKYRFACFBMHWGV-UHFFFAOYSA-N 297.424 1.652 0 50 CDAA CS(=O)(=O)Nc1ccccc1Br 3193116 HRLPDILAYHUIIF-UHFFFAOYSA-N 250.117 1.821 0 50 CDAA in-vitro CCOC(C)(C)C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704352709 HQAIXOARUAAZLY-ZIAGYGMSSA-N 292.379 1.570 0 50 CDAA CN(C)c1ccc(-c2noc([C@@H]3C[C@H](N)[C@H]4C[C@H]43)n2)nc1 1615058820 RKMUOOUGPZGVSO-KXNHARMFSA-N 285.351 1.648 0 50 CDAA COCC[C@@H](CO)NC(=O)c1ccc2cccc(O)c2c1 1615551319 RTDIRNSDAAJSFD-ZDUSSCGKSA-N 289.331 1.673 0 50 CDAA Cc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 13323115 VAVKAGXEPOELMQ-UHFFFAOYSA-N 296.374 1.676 0 50 CDAA O=C(CCc1ccccc1)NCCN1CCOCC1 15746352 HQSYNHBCTOXANX-UHFFFAOYSA-N 262.353 1.068 0 50 CDAA NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2560787 ZYGRWJVRLNJIMR-LLVKDONJSA-N 266.297 1.105 0 50 CDAA CC[C@@H](C)NC(=O)[C@@H]1CC(c2cnn(CC)c2C)=NO1 6804881 MOBSDSWSVSGDGC-RNCFNFMXSA-N 278.356 1.619 0 50 CDAA Cc1cccc(NC(=O)C(=S)N2CCOCC2)c1C 2876091 ANIKPAFDZQCYRV-UHFFFAOYSA-N 278.377 1.902 0 50 CDAA CCCCNC(=O)c1ccc(NS(=O)(=O)CC)cc1 4841302 TVTKYBKFQHCWID-UHFFFAOYSA-N 284.381 1.978 0 50 CDAA O=C(NC[C@@H]1CC1(F)F)c1ccccc1-n1cncn1 1857690137 BNHBPKNBOLTOAC-VIFPVBQESA-N 278.262 1.652 0 50 CDAA Cc1ccsc1CCNC(=O)C[C@H]1CNCCO1 258909433 JKNISMQBBFVZAM-NSHDSACASA-N 268.382 1.094 0 50 CDAA Cn1cc(CNC2CCN(C(=O)c3ccccc3)CC2)nn1 332308744 SEEFGWYUXHPPCV-UHFFFAOYSA-N 299.378 1.210 0 50 CDAA C[C@@H]1CN(C(=O)CCN)C[C@H](c2ccsc2)O1 237409996 ZEPPJQPKXXPROY-MWLCHTKSSA-N 254.355 1.385 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(OC)cc1 353192729 QTUUWHYGEHPUKN-KBPBESRZSA-N 279.336 1.619 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)[C@H]1C[C@@H]1C 252506149 QRXJNZGSPADKKY-KUYXLPFXSA-N 251.326 1.346 0 50 CDAA O=C(NC1(CO)CCSCC1)[C@@H]1CCC[C@@H]2CCCN12 585121957 HOOMOXFGRVBWMI-OLZOCXBDSA-N 298.452 1.378 0 50 CDAA CC[C@]1(C)C[C@@H]1C(=O)NCCc1nc(C(=O)O)cs1 263030602 MSZLWYWVTGQMMJ-AMIZOPFISA-N 282.365 1.936 0 50 CDAA Cc1nccc(N2CCC[C@@H](c3nncn3C)C2)n1 266445903 WTMKAGXXDUFPFL-LLVKDONJSA-N 258.329 1.298 0 50 CDAA O=c1nc(-c2cnccn2)ccn1CCO[C@H]1CC1(F)F 902653266 YONJVDSOHWLNCI-NSHDSACASA-N 294.261 1.125 0 50 CDAA CNC(=O)c1c(NCc2ccc(C)cn2)n[nH]c1C 902664265 OUQDMZUCOJQYRA-UHFFFAOYSA-N 259.313 1.393 0 50 CDAA CNC1CCN(C(=O)c2cnn3cccc(OC)c23)CC1 911786934 KRXWEFKTYFIBDY-UHFFFAOYSA-N 288.351 1.167 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1Cc1cn(C(C)C)nc1C 818629678 JCPXUZKZYUIZEN-OAHLLOKOSA-N 295.383 1.838 0 50 CDAA CC(C)(C)OC(=O)NC[C@@]12C[C@H](CO1)[C@@H](C(=O)O)C2 1857782927 DFNMHQDSJRRRHA-ZDMBXUJBSA-N 271.313 1.391 0 50 CDAA CCCn1ccnc1CNC(=O)[C@@H](O)CCSC 222583046 XYHNCEIGRRYFCR-JTQLQIEISA-N 271.386 1.023 0 50 CDAA CO[C@H]1CCC[C@@H](NC(=O)c2c[nH]nc2C2CC2)C1 225609777 WIZFHRMMLTZHIV-MNOVXSKESA-N 263.341 1.975 0 50 CDAA C[C@H]1CCCN(C(=O)COc2ccccc2)[C@@H]1C(=O)O 235630879 RCHYSPZMRNVKEQ-FZMZJTMJSA-N 277.320 1.777 0 50 CDAA O=C(O)C[C@H]1CCCN(C(=O)CCn2cccn2)CC1 299744575 PFHIEJXXYSANNL-LBPRGKRZSA-N 279.340 1.377 0 50 CDAA COc1ccc(CCCC(=O)N2CC[C@@H](CN)C2)cc1 67514984 GVMOMCUMFNQYAY-AWEZNQCLSA-N 276.380 1.825 0 50 CDAA NS(=O)(=O)C1(CNc2ncc3ccccc3n2)CCC1 721598770 VIFREGVAJUNXRI-UHFFFAOYSA-N 292.364 1.253 0 50 CDAA Cc1ccccc1-c1nnn(CC(=O)NC2CCCC2)n1 1063200 NZHANWXFONVWMS-UHFFFAOYSA-N 285.351 1.707 0 50 CDAA Cc1nc(O)c2c(n1)C1(CC2)CCN([C@H]2CCOC2)CC1 2100556095 CHMBGXSKCYUUCR-LBPRGKRZSA-N 289.379 1.559 0 50 CDAA C[C@@H]1CC[C@@H](CC(=O)N=c2nc(C3CC3)[nH]s2)OC1 2325796437 QDWOTDPRLAFYPX-SCZZXKLOSA-N 281.381 1.981 0 50 CDAA C[C@@H]1C[C@@H]1c1noc(CC(=O)N=c2cc(C3CC3)[nH][nH]2)n1 2325798092 MOUZMCAEZLMSBM-APPZFPTMSA-N 287.323 1.397 0 50 CDAA COc1ccc(NC(=O)[C@H]2CSC(C)(C)N2C=O)cc1 47642 UCFXLVSDEWKUNL-GFCCVEGCSA-N 294.376 1.944 0 50 CDAA O=c1c2ccccc2nc2n1S(=O)(=O)c1ccccc1-2 245981 ZJUTWHYCJTWJJI-UHFFFAOYSA-N 284.296 1.614 0 50 CDAA CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1F 621218 YKZKJQOLNWFKGB-UHFFFAOYSA-N 261.274 1.211 0 50 CDAA O=C1NCCC[C@@]12CCCN2Cc1cnc2ccccn12 2356139625 GKCPANAQEQVRGC-MRXNPFEDSA-N 284.363 1.579 0 50 CDAA COCCNC(=O)C(=O)Nc1cc(C)cc(C)c1 2958122 HUULECDSSYXSCS-UHFFFAOYSA-N 250.298 1.005 0 50 CDAA O=S(=O)(Cc1ccccc1Cl)NC[C@@H]1CCCO1 4740638 YREOLMQRHVMAHF-NSHDSACASA-N 289.784 1.938 0 50 CDAA Cc1cc(C(=O)N[C@@H](CO)CC(C)C)ccc1O 227042175 UFKVLERDJNSZER-GFCCVEGCSA-N 251.326 1.837 0 50 CDAA CCOC(=O)[C@H]1C(=O)CC(=O)C[C@@H]1c1ccccc1 100011714 BXVBHUOYUZLPLZ-TZMCWYRMSA-N 260.289 1.882 0 50 CDAA COC(=O)c1cc2ncc(Br)cn2n1 52508067 QWQDSBMSESLQEC-UHFFFAOYSA-N 256.059 1.278 0 50 CDAA COc1ccc(CNCCCN(C)C)cc1OC 54979087 YKVZACPPYQZKKR-UHFFFAOYSA-N 252.358 1.745 0 50 CDAA CCc1cnc(N2CCN(CC(C)C)[C@@H](CCO)C2)nc1 108041803 HRPLETLPEVRJKE-HNNXBMFYSA-N 292.427 1.568 0 50 CDAA CCCCCC(=O)N[C@@H](C(=O)O)c1c(C)n[nH]c1C 67743450 RRBHTZLFFRVTES-GFCCVEGCSA-N 267.329 1.849 0 50 CDAA C[C@@H]1CCCCN1CCN(C)c1cc(N(C)C)ncn1 65530275 DDIFJBQSJQNAAA-CYBMUJFWSA-N 277.416 1.853 0 50 CDAA CCC[C@H](C(=O)OCC)n1ncc(N2CCCC2)cc1=O 23250462 HYFUAMAPFHDBCL-CYBMUJFWSA-N 293.367 1.748 0 50 CDAA COc1cccc(CC(=O)N=c2cc(C)c(C)n[nH]2)c1 359490740 LOXBZVJGLVZMDL-UHFFFAOYSA-N 271.320 1.705 0 50 CDAA CN(C)Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)O)C2)cc1 426674230 NHGKIQLIQCJGDY-JOCQHMNTSA-N 276.336 1.341 0 50 CDAA c1cn(-c2cc3c(cc2-n2cnnc2)OCCO3)cn1 65388024 BTHZPQXOOZCTEJ-UHFFFAOYSA-N 269.264 1.224 0 50 CDAA CC(=O)N(C[C@H]1CCCN1CC[C@H]1CCOC1=O)C1CC1 328629861 ISNLHETZRMOYGH-DZGCQCFKSA-N 294.395 1.415 0 50 CDAA C[C@H]1CCC[C@H](OCC(=O)Nc2ccn(CC(=O)O)n2)C1 123080967 AXNLGLMZGXUTNI-QWRGUYRKSA-N 295.339 1.502 0 50 CDAA CCCC(=O)NCCNc1cc(-n2ccnc2C)ncn1 35598081 GHXBFIWGHWCYCY-UHFFFAOYSA-N 288.355 1.299 0 50 CDAA COc1cc(N2CCN(C(=O)OCC(C)C)CC2)ncn1 123109211 AYXZSJDQEMERLM-UHFFFAOYSA-N 294.355 1.400 0 50 CDAA CCO[C@H](C)C(=O)N=c1cc(C)n([C@@H](C)CC)[nH]1 330689558 PODPQBGEGKBIMV-GXSJLCMTSA-N 253.346 1.948 0 50 CDAA C[C@H](NC(=O)C1CCCCCC1)c1nc(=O)[nH][nH]1 215626314 HNPMMEIWHIMINM-QMMMGPOBSA-N 252.318 1.246 0 50 CDAA CCNC(=O)C12C[C@H]3C[C@@H](CC(NC(C)=O)(C3)C1)C2 120353835 ZSNPGINVBQTRPO-HGWMRPEMSA-N 264.369 1.598 0 50 CDAA O=C(COCC(F)(F)F)N1CCC[C@@H]1c1ncc[nH]1 371442116 GJOGICCZWUDHGG-MRVPVSSYSA-N 277.246 1.652 0 50 CDAA CC(C)c1nc(CN2CCS(=O)(=O)CC2)co1 215293779 YBBKNHZQTLDABG-UHFFFAOYSA-N 258.343 1.028 0 50 CDAA CC1(C)[C@@H](NCC2(C(=N)O)CCOCC2)[C@@H]2CCO[C@@H]21 333356900 WUGQDRJPPKYPPI-SRVKXCTJSA-N 282.384 1.722 0 50 CDAA O=C(NCCc1cccs1)c1[nH]c(=O)nc2ccccc12 74743557 AZKAKYXZRUUTLN-UHFFFAOYSA-N 299.355 1.957 0 50 CDAA O=C(NCC1(Cn2cccn2)CC1)c1ccn(C(F)F)n1 219753665 OPNXOLUCOWLLAO-UHFFFAOYSA-N 295.293 1.685 0 50 CDAA C[C@H](CN)C(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 262418796 RMZUCQLAQXKQEB-ZWNOBZJWSA-N 281.787 1.408 0 50 CDAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@H]1CCCn2ncnc21 375601099 WWHDCWZTQMWRQW-ZRUFSTJUSA-N 264.329 1.043 0 50 CDAA CCOC(=O)c1cnn2cc(Br)cnc12 37593672 PZZTXIWJXOMKEU-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA in-vitro CCCN1C[C@@H](C(=O)Nc2nccs2)CC1=O 33359492 FJPCHQKZIQXXGE-QMMMGPOBSA-N 253.327 1.340 0 50 CDAA Cc1cc[nH]c1C(=O)N1CC[C@](CO)(C(C)C)C1 335334357 SXFHVYUTCBRBGE-AWEZNQCLSA-N 250.342 1.804 0 50 CDAA Cc1ccc2c(c1)CN(c1nccn3cnnc13)CCO2 286468613 VOZUHAZLKWDKGR-UHFFFAOYSA-N 281.319 1.832 0 50 CDAA O=C(NCC[C@@H]1COc2ccccc2O1)c1cc[nH]c1 221259371 RYHTXLFXHPPSJK-GFCCVEGCSA-N 272.304 1.975 0 50 CDAA COc1ccc([C@@H]2CCN(C(=O)[C@@H](C)C(=O)O)C2)cc1 263559763 QOLLFQSEOPQFLG-ZYHUDNBSSA-N 277.320 1.732 0 50 CDAA CCc1ccc(NC(=O)Cn2nc(C)ccc2=O)cc1 44394439 YJXBLHOGEIVYIT-UHFFFAOYSA-N 271.320 1.753 0 50 CDAA NC(=O)/C=C\c1ccc(I)cc1 199491844 ZWEJKFQKIOKQOV-UTCJRWHESA-N 273.073 1.790 0 50 CDAA Cc1ccc(OC[C@H]2CN3CCOB(OCC3)O2)cc1 195816467 YQIQWPLIVGKKJU-CQSZACIVSA-N 277.129 1.106 0 50 CDAA COC(=O)N[C@@H](C)C(=O)N(C)C1Cc2ccccc2C1 223100630 WJCIZDXORNEOAP-JTQLQIEISA-N 276.336 1.357 0 50 CDAA COC(=O)C1=CCCCCOCC(O)=C1C(=O)OC 45028178 TVVQHQWOKHHWKO-UHFFFAOYSA-N 270.281 1.271 0 50 CDAA CCn1c(CN2CCCC2)nnc1C1CCN(C)CC1 82155731 JRFYSKKRPYOAGM-UHFFFAOYSA-N 277.416 1.703 0 50 CDAA CSc1ncc(C(=O)NCCCc2cccnc2)cn1 223217924 IJRKOGVOHNOMJY-UHFFFAOYSA-N 288.376 1.956 0 50 CDAA Cc1ccc([C@H](C)NC(=O)NC2(C(N)=O)CCCC2)cn1 426370391 IXBFHAPVCVGTSV-NSHDSACASA-N 290.367 1.548 0 50 CDAA Cc1nccn1[C@H](C)CC(=O)NCCSc1cnn[nH]1 426497138 ZNRBBJCVMPCHJZ-SECBINFHSA-N 294.384 1.169 0 50 CDAA C[C@H](CCC(=O)NC1(C(=O)O)CCCC1)N1CCOCC1 426388220 WAAYZFCMYLUYTQ-GFCCVEGCSA-N 298.383 1.001 0 50 CDAA COCC[C@@]1(CO)CCCN(CCCSC)C1 91693748 NPPXAGXXIYTYLM-ZDUSSCGKSA-N 261.431 1.851 0 50 CDAA CCC[C@H]1CN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1N 91645771 FPDOHXHXGPDKGC-STQMWFEESA-N 289.445 1.022 0 50 CDAA O=C(c1cccc(-c2cnc[nH]2)c1)N1CCN2CCC[C@H]2C1 426389209 DVSNCZBLSHQMIV-HNNXBMFYSA-N 296.374 1.997 0 50 CDAA O=C(c1c[nH]nc1C1CCCCC1)N1C[C@@H](O)CO1 91624766 XGXWXMLLUNCGFR-SNVBAGLBSA-N 265.313 1.206 0 50 CDAA CCn1ccc(CC(=O)N2Cc3ccc(C(=O)O)cc3C2)n1 621558505 IAOZEPGFXNLCNG-UHFFFAOYSA-N 299.330 1.686 0 50 CDAA COCCN1CCN(c2nc3c(s2)c(C)nn3C)CC1 95507965 IPMKJBKBZZOIEM-UHFFFAOYSA-N 295.412 1.107 0 50 CDAA Cc1noc(C)c1CN1C[C@@H]2CC[C@H](C1)N(CC(=O)O)C2 91663016 QOEKMFKZARXPLH-QWHCGFSZSA-N 293.367 1.272 0 50 CDAA CCc1cccc(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)c1 299740292 YCKPFYZYYDNKMD-DGCLKSJQSA-N 282.409 1.749 0 50 CDAA Cc1nc(CN2C[C@H](F)C[C@H]2C(N)=O)nc2ccccc12 299744979 QLCIVVLSTZFTSN-MFKMUULPSA-N 288.326 1.336 0 50 CDAA CSc1nnc(SC(C(C)=O)C(C)=O)s1 524735357 XJOGRFKEUVLGDP-UHFFFAOYSA-N 262.381 1.899 0 50 CDAA Cn1ccnc1CCNC(=O)Cc1ccc2c(c1)OCO2 534671764 GDAZPMUYPDQWPD-UHFFFAOYSA-N 287.319 1.050 0 50 CDAA Cc1[nH]cnc1CNC(=O)[C@H]1CC(=O)Nc2ccccc21 266965347 JHWAJTPKDHVOMG-NSHDSACASA-N 284.319 1.460 0 50 CDAA Cc1ccc(F)c(NC(=O)NC[C@@H]2CN(C)CCN2C)c1 264639227 MJIGDLCBEVWCLY-GFCCVEGCSA-N 294.374 1.501 0 50 CDAA CCCn1ccnc1CNC(=O)Cc1c(C)noc1C 534667027 PQKTYWXLQMJKCO-UHFFFAOYSA-N 276.340 1.757 0 50 CDAA COC[C@H](C)NC(=O)c1ccc(CN2CCCC2)o1 824468382 SJVOYJZPHAOGMZ-NSHDSACASA-N 266.341 1.640 0 50 CDAA CN(Cc1ccccc1)S(=O)(=O)NC[C@@]1(C)CCCO1 823724800 XUPJNXAHUFVKKG-CQSZACIVSA-N 298.408 1.522 0 50 CDAA CO[C@H]1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 270076772 PTRSHGOOOAAALL-OLZOCXBDSA-N 290.367 1.091 0 50 CDAA CC(C)CN1CC[C@H](CN(C)C(=O)C2(C)COC2)C1 584895110 BSPBSXFROBJBSA-CYBMUJFWSA-N 268.401 1.459 0 50 CDAA Cc1cc(C)n(CCN(C)CC[C@H]2CCS(=O)(=O)C2)n1 670462189 CSPVQQOZUWRIGH-AWEZNQCLSA-N 299.440 1.257 0 50 CDAA COc1ccc(CNC(=O)CN(C)C2CCC2)c(OC)n1 629994563 ODEIZNYUVHCISC-UHFFFAOYSA-N 293.367 1.199 0 50 CDAA CNC1(C(=O)Nc2cc3c(nc2O)CCCC3)CCC1 1548566308 UYHHNCPDPWDZSC-UHFFFAOYSA-N 275.352 1.747 0 50 CDAA Cc1noc2ncn(Cc3nc4c(o3)CCCC4)c(=O)c12 871676265 YKDHXHLRQQSOEI-UHFFFAOYSA-N 286.291 1.608 0 50 CDAA N[C@@H]1C[C@@H](O)[C@@H]1CC(=O)Nc1ccc(-c2cncnc2)cc1 1875350055 YYQSBFIDDAVSNT-RBSFLKMASA-N 298.346 1.180 0 50 CDAA Cc1ccccc1[C@H]1CC(=O)N(C[C@H]2C[C@@H](O)C2)C(=O)N1 1875393905 QJBVYOGWNXPLLF-MBNYWOFBSA-N 288.347 1.749 0 50 CDAA C=CC(=O)N(CCC(N)=O)[C@H]1CCOc2ccccc21 1875374691 CXXCHLVTINMREW-LBPRGKRZSA-N 274.320 1.400 0 50 CDAA CCOC(=O)Cn1cc(-c2csnc2OC)c(C)n1 1875309686 ISGBDALRIULHDC-UHFFFAOYSA-N 281.337 1.887 0 50 CDAA Cc1cc(NC(=O)[C@]2(C(=O)O)CCCO2)c(C)c(C)c1O 1875394081 ULTIFXTWQTWXTK-HNNXBMFYSA-N 293.319 1.890 0 50 CDAA Cc1ccc(CN(C)C(=O)CN2CCCCC2)nc1 1875321781 VEENDSHUEYMFQC-UHFFFAOYSA-N 261.369 1.834 0 50 CDAA O=C1CSC(N2CCN(c3ccccc3)CC2)=N1 4745871 ZBTUUVNKEZRJHS-UHFFFAOYSA-N 261.350 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SCYJIFCIJKCACV-AWEZNQCLSA-N 276.315 1.318 0 50 CDAA NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc3ccccc3c2)O1 170607913 OISBVUBSFRHESB-LSDHHAIUSA-N 298.342 1.489 0 50 CDAA C[C@@H](C(=O)O)N1CCN([C@H](C)c2cccnc2)CC1 86753968 MNOASTVOXWJULC-NEPJUHHUSA-N 263.341 1.233 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)OC(C)(C)C1 91692677 UVCRSTLUNAIJQQ-QMMMGPOBSA-N 259.302 1.486 0 50 CDAA in-vitro O=C(O)CN(C(=O)c1ccc2cc[nH]c2c1)C1CC1 111287973 RRSUFVKYBVJQHH-UHFFFAOYSA-N 258.277 1.857 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)c1cc[nH]c1C(C)C 644060184 NMNIGIHTXMPXNX-OAHLLOKOSA-N 293.367 1.245 0 50 CDAA CC[C@@H](Nc1ccc2c(c1)oc(=O)n2C)C(=O)OC 192846065 IBMHWMPCSGMLSF-SECBINFHSA-N 264.281 1.495 0 50 CDAA CC[C@@H](NC(=O)c1cnc(C)nc1C(C)C)C(=O)O 192875434 DZNHIFWIQKXESG-SNVBAGLBSA-N 265.313 1.501 0 50 CDAA CCn1ncnc1CN1CCCC[C@@H]1c1nc[nH]n1 193462935 NIUHVNCJRIQSOJ-SNVBAGLBSA-N 261.333 1.143 0 50 CDAA COCCC(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 195579271 GNNKLSNUCDFGEU-CYBMUJFWSA-N 280.368 1.050 0 50 CDAA O=C(NCc1cc2n(n1)CCCO2)C1(CCF)CC1 572734738 INCIUHVBGPOTFB-UHFFFAOYSA-N 267.304 1.422 0 50 CDAA CC(C)c1cc(N[C@@H]2C[C@H](C(=O)O)C[C@H]2O)ncn1 662897873 YRMOWPXEELPQSA-JMJZKYOTSA-N 265.313 1.236 0 50 CDAA Cc1nnc([C@H]2CN(c3nnc(C)c(C)n3)C[C@@H](C)O2)o1 664499915 GMGSTWBEYZJNBI-RDDDGLTNSA-N 290.327 1.146 0 50 CDAA O=C(NCC1(O)CCC(F)(F)CC1)c1nccs1 664443548 JTFIDJOBHCHMPF-UHFFFAOYSA-N 276.308 1.813 0 50 CDAA OC[C@@H]1C[C@H](F)CN1c1cc(NCC2CC2)ncn1 583617604 KFSMBDHKLVLPHG-QWRGUYRKSA-N 266.320 1.208 0 50 CDAA Cn1ccc(C(=O)Nc2ccnc(C3(C)CC3)n2)cc1=O 788123233 ZPXDGGRULKXVED-UHFFFAOYSA-N 284.319 1.479 0 50 CDAA CC(=O)NC(C)(C)C[C@@H](C)N(C)Cc1ncc(C)[nH]1 1506396529 KLBYPGBLQIBWEB-LLVKDONJSA-N 266.389 1.843 0 50 CDAA Cc1cccnc1N1C[C@H](O)[C@@H](N2CCCCC2)C1 1506415439 BWNIOSXJQTWFDQ-KBPBESRZSA-N 261.369 1.425 0 50 CDAA O=C(/C=C/c1cc(CO)cs1)NC1(C(=O)O)CCCC1 1506397153 OKCJBASBCCCXRN-ONEGZZNKSA-N 295.360 1.767 0 50 CDAA CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)NC1=S 202585 HYULQNMEHFOIDL-UITAMQMPSA-N 276.317 1.493 0 50 CDAA CC(C)OC(=O)CSc1nnc(-c2ccco2)n1N 531548 RGXPWAKOIWOBNR-UHFFFAOYSA-N 282.325 1.296 0 50 CDAA CCc1ncc(C(=O)N2CCC[C@]3(CCOC3)C2)cn1 1857690701 PEQGLOHSKHJUKQ-HNNXBMFYSA-N 275.352 1.682 0 50 CDAA O=C(C1CCN(C2CCCCC2)CC1)N1C[C@@H](O)CO1 1857691985 JKTJNRNEDXCCAM-CQSZACIVSA-N 282.384 1.166 0 50 CDAA COc1cnc(C)cc1C(=O)N1CCc2nocc2C1 1857698111 XWCBLBJJJLTMNM-UHFFFAOYSA-N 273.292 1.585 0 50 CDAA COc1ccc(-c2ccc3c(c2)CN(C)C3=O)nn1 1857711676 BYSHEYYQDUWDJS-UHFFFAOYSA-N 255.277 1.738 0 50 CDAA COCCNS(=O)(=O)c1cc(C)c(OC)cc1C 8714894 HSDYYQQJLSOKDB-UHFFFAOYSA-N 273.354 1.237 0 50 CDAA Cc1noc(CCCC(=O)N2CCCC[C@@H]2C(=O)O)n1 136473349 NSPDYLIIEJGDGL-SNVBAGLBSA-N 281.312 1.166 0 50 CDAA COc1cc(O)ncc1C(=O)NC1CCC2(CC1)C[C@H]2N 1615545122 DJNBXMQNRZDHOD-YAKODHLKSA-N 291.351 1.186 0 50 CDAA COC(=O)c1nc(CCNC(=O)[C@H](C)C2CC2)sc1C 1615586526 OIZYHSHFMXVFAE-MRVPVSSYSA-N 296.392 1.943 0 50 CDAA O=C(N[C@H]1CCNC12CCC2)c1nncc2ccccc12 1615549399 VUTGWRJWIFWDDJ-ZDUSSCGKSA-N 282.347 1.644 0 50 CDAA CS(=O)(=O)N1C[C@H](CCC(=O)O)Cc2ccccc21 1616039842 WVKZICJKGPQPTA-SNVBAGLBSA-N 283.349 1.490 0 50 CDAA O=C(NCCNC(=O)c1c(F)cccc1F)OC1CC1 1616034567 OYBBPGZSHPSORY-UHFFFAOYSA-N 284.262 1.583 0 50 CDAA CC(C)N1CCC(N[C@H]2CC=CC[C@@H]2C(N)=O)CC1 1616126976 BHQHVZSALVJSSH-KBPBESRZSA-N 265.401 1.269 0 50 CDAA CCCn1nnc(NC(=O)COc2ccc(CC)cc2)n1 469841 QADFHWVDZUWJHT-UHFFFAOYSA-N 289.339 1.663 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)c1ccc(F)c(O)c1 1772707671 SLULEDCJEGNHJO-UHFFFAOYSA-N 286.266 1.733 0 50 CDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1CCn1cc(Cl)cn1 1772704915 UOIOMYJVBFPUFF-CMPLNLGQSA-N 282.775 1.232 0 50 CDAA O=C(N[C@H]1COC2(CCNCC2)C1)c1ccc(F)c(O)c1 1772817767 WXQLXEPVDJBRPW-LLVKDONJSA-N 294.326 1.172 0 50 CDAA CC1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCC1 11919318 BCBOKCBFTLJDTB-UHFFFAOYSA-N 282.365 1.853 0 50 CDAA Cn1c(SCC(=O)c2ccccc2)nc(O)cc1=O 12436459 RBIHDDZSXFCKBL-UHFFFAOYSA-N 276.317 1.461 0 50 CDAA COc1ccc(C(=O)N2CCc3nncn3CC2)cc1F 14991682 BOXYIYXXTVPWAC-UHFFFAOYSA-N 290.298 1.124 0 50 CDAA O=C(O)CSc1ccc2nnc(-c3cccnc3)n2n1 4327903 IWGIWABBHGYFOF-UHFFFAOYSA-N 287.304 1.363 0 50 CDAA COc1ccc(-c2ccc(=N)n(CCCC(=O)O)n2)cc1 2559949 ACVGNKYJVGNLIL-UHFFFAOYSA-N 287.319 1.903 0 50 CDAA in-vivo CC(=O)c1c(NNc2ccncc2)oc(C)cc1=O 2581701 MOSZAHSSBXDYFL-UHFFFAOYSA-N 259.265 1.985 0 50 CDAA O=C(Cn1cc2ccccc2n1)NC1(CO)CC=CC1 1857688586 RPPQOERCMIVCAJ-UHFFFAOYSA-N 271.320 1.234 0 50 CDAA Cc1csc(CN(C)C(=O)[C@H]2CCCNCC2)n1 1857699543 SFBVMNBOGCCBRS-NSHDSACASA-N 267.398 1.800 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(Cc1ccc3[nH]ccc3c1)C2 1875244881 YJXQGNCJQXZTSS-HOCLYGCPSA-N 285.391 1.930 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccc3c(c1)OCO3)C2 1875241966 IFKDJMQSCOIWMZ-KGLIPLIRSA-N 290.363 1.178 0 50 CDAA Cc1nc(O)cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)n1 1875246696 FNZBXDKRJZHUIL-LBPRGKRZSA-N 269.304 1.761 0 50 CDAA CCn1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(C)n2)cn1 408469752 PMJWRHUEZQDMIL-GFCCVEGCSA-N 288.355 1.697 0 50 CDAA CCC(CC)(NC(=O)C(F)(F)C1(O)CCC1)C(=O)OC 225531803 GQVYKAOVCMOLCU-UHFFFAOYSA-N 293.310 1.385 0 50 CDAA CC(=O)N[C@H]1CCN(c2cnc3ccccc3n2)C1 420631032 QBUPTLDJAMORAY-NSHDSACASA-N 256.309 1.345 0 50 CDAA O=C1CC[C@H](NC(=O)C2[C@@H]3CCC[C@@H]23)C2(CCC2)N1 332714121 GKTRTASRIXDLFY-MXWKQRLJSA-N 262.353 1.350 0 50 CDAA C[C@H]1CCN(C(=O)NCCNC(=O)C(C)(C)C)C[C@@H]1C 127210252 VLSPDYWVRYTNIX-RYUDHWBXSA-N 283.416 1.836 0 50 CDAA C[C@@H](OCC(F)(F)F)C(=O)N1CC[C@@](C)(C(=O)O)C1 237398481 AFWQLTIXMQZXIF-GMSGAONNSA-N 283.246 1.277 0 50 CDAA Cn1ccsc1=NC(=O)c1cccc(NC(N)=O)c1 250615114 CIFIWAIKZCDNIT-UHFFFAOYSA-N 276.321 1.318 0 50 CDAA C[C@@H]1CN(C[C@H](O)COCc2ccccc2)C[C@@H](C)O1 19594719 YTWHNHAFBLEEKO-FMKPAKJESA-N 279.380 1.673 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)[C@H]1SCCc2ccccc21 263322760 RTAARYZMNUDYPT-SKDRFNHKSA-N 279.361 1.949 0 50 CDAA Cc1cc[nH]c1C(=O)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910615341 JBUMZHBAQIYLAZ-VTWZXRTESA-N 292.335 1.465 0 50 CDAA O=S(=O)(NCCCN1CCCC1)c1ccccc1 10450149 RVBTTZXRZCJEJB-UHFFFAOYSA-N 268.382 1.451 0 50 CDAA NC(=O)[C@@H](O)CNC(=O)c1csc(C2CCCCC2)c1 935678813 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CDAA C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)C1(F)F 1594229308 GNIHYXBXFBZOLZ-YWVKMMECSA-N 275.295 1.991 0 50 CDAA CN(C)c1ccc(NC(=O)c2cnc(Cl)[nH]2)cn1 2325870122 KQBCQHGAPTYWDD-UHFFFAOYSA-N 265.704 1.776 0 50 CDAA OCc1nccc(=NCc2nc(-c3ccccn3)cs2)[nH]1 2325874652 VVUMPJUTLQVOAI-UHFFFAOYSA-N 299.359 1.521 0 50 CDAA O=C(CCc1cccc(F)c1)NC[C@H]1CCCNC1 129730558 XUMPQSLVJPYUTN-ZDUSSCGKSA-N 264.344 1.874 0 50 CDAA Nc1ccc(S(=O)(=O)c2ccc(N)c(N)c2)cc1 189392 LMCLQTHHLNHUPN-UHFFFAOYSA-N 263.322 1.266 0 50 CDAA CCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1OC 311824 DDEAATZUEBYWLU-UHFFFAOYSA-N 282.321 1.616 0 50 CDAA COc1cccc([C@@H](C)NC(=O)c2cnccn2)c1 476131 HCQGTQVQBJFJQU-SNVBAGLBSA-N 257.293 1.976 0 50 CDAA OCCNCCNc1ccnc2cc(Cl)ccc12 1700328 XIVJRGMWNFYEQO-UHFFFAOYSA-N 265.744 1.882 0 50 CDAA O=C(CCC(=O)NC1CCCC1)NC1CCCC1 2747187 LGLLCLWFHINPEV-UHFFFAOYSA-N 252.358 1.884 0 50 CDAA c1nc2cc(CN3CC[C@H](c4cc[nH]n4)C3)ccn2n1 2356162759 IYQONLITGQSRMN-LBPRGKRZSA-N 268.324 1.442 0 50 CDAA CCOc1ccccc1N(C(C)=O)[C@@H]1C=CS(=O)(=O)C1 4387484 GLJFKBSUCSGNQF-GFCCVEGCSA-N 295.360 1.749 0 50 CDAA CSc1ccc(CNCCSc2nnnn2C)cc1 4488548 ZKNOYIUPIAJWSJ-UHFFFAOYSA-N 295.437 1.814 0 50 CDAA CCCN1CCC(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)CC1 6741760 ZNMRQHDNTSWWQS-ZIAGYGMSSA-N 294.395 1.644 0 50 CDAA CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1 6744563 OZFUMQJEHVNFGR-QMMMGPOBSA-N 261.318 1.911 0 50 CDAA NC(=O)[C@@H]1CCCCN1C(=O)[C@H]1COc2ccccc21 113147087 KBPCLFLFPVERJC-RYUDHWBXSA-N 274.320 1.029 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCn1cccn1 227222985 MHEHEZNODZZTBZ-AVGNSLFASA-N 263.341 1.601 0 50 CDAA O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1CCC[C@@H]1CCOC1 420029611 FSUADSPZWKBTKU-SYQHCUMBSA-N 292.379 1.866 0 50 CDAA Cn1cc(CN[C@@H]2CCCN(Cc3ccccn3)C2)cn1 23374409 SPPZNSYHPGCXON-MRXNPFEDSA-N 285.395 1.569 0 50 CDAA NC(=O)C[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 353511613 CSOMIIIXMMFPJR-SECBINFHSA-N 259.313 1.050 0 50 CDAA Cc1nnsc1CN(C)C(=O)C(=O)c1ccco1 67459000 LQNYDQLCUXTBPM-UHFFFAOYSA-N 265.294 1.281 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCCO1 228641728 PVPJRLDLBBOPLX-FIQHERPVSA-N 267.325 1.410 0 50 CDAA O=C(Cc1ncccc1F)N1CCCC[C@@H](CO)C1 366204694 RCGZNERAVQDGNQ-LLVKDONJSA-N 266.316 1.384 0 50 CDAA Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1 56658 YZMCKZRAOLZXAZ-UHFFFAOYSA-N 278.337 1.476 0 50 CDAA biogenic,in-man COC[C@@H](NC(=O)c1sc(C)nc1C)c1ccnn1C 67588539 SAYJFFPTYYNCSQ-SNVBAGLBSA-N 294.380 1.611 0 50 CDAA O=C1NCCCc2[nH]c(-c3ccc4c(c3)OCCCO4)nc21 65403423 IPFUYAXQHYZRMS-UHFFFAOYSA-N 299.330 1.914 0 50 CDAA Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 1225171 BLRWOTDMVWVIHW-UHFFFAOYSA-N 292.139 1.336 0 50 CDAA biogenic C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)C[C@H]1C(N)=O 284608591 NYQCVBZGCUNPMX-VXNVDRBHSA-N 284.718 1.673 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccn(C(C)C)n2)N(C)C1 284605556 KAJNCAPGEMLLIZ-STQMWFEESA-N 294.399 1.255 0 50 CDAA O=C(c1ccnc(C2CC2)c1)N1CCn2ncnc2C1 329970743 VCRJNAGQBYEURW-UHFFFAOYSA-N 269.308 1.207 0 50 CDAA COc1cc2c(cc1CN1CC[C@@H](O)C1)OCCCO2 216321875 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263.341 1.896 0 50 CDAA Cc1c(CN2CC(N3CCCC[C@@H]3C)C2)cnn1C 72140083 SIBJDFIPYPYKTK-LBPRGKRZSA-N 262.401 1.787 0 50 CDAA O=C1CCCN1[C@@H]1CCCN(c2ncnc3[nH]ccc23)CC1 334125928 PHEMBTPRUHMXCE-GFCCVEGCSA-N 299.378 1.939 0 50 CDAA COC1([C@@H](C)NC(=O)c2cnn3c2CCC3)CCC1 334127294 QKXNFFFZTILVTL-SNVBAGLBSA-N 263.341 1.517 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@](C)(N)C3CC3)C2)no1 237772648 LOMVYZCXXIYVEE-NHYWBVRUSA-N 292.383 1.287 0 50 CDAA CC(C)n1cc(C(=O)N2C[C@@H](F)C[C@H]2CO)cn1 334432755 CRSJMWRMWLTUJG-QWRGUYRKSA-N 255.293 1.009 0 50 CDAA NCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 237985206 GMWDJTROJJGDSD-LBPRGKRZSA-N 299.777 1.518 0 50 CDAA Cn1cnc(=O)n1Cc1ccc(Cl)c(Cl)c1 335244586 JBJXGXAWLMKDSC-UHFFFAOYSA-N 258.108 1.937 0 50 CDAA O=C(NC[C@@H]1CCCNC1)c1cccc(Cl)n1 129992904 HESQXBGHCGWSSB-SECBINFHSA-N 253.733 1.464 0 50 CDAA CC(C)OC(=O)N1CCC(n2cc(CN)cn2)CC1 40449709 ODWLMVRVNRAFIK-UHFFFAOYSA-N 266.345 1.524 0 50 CDAA COc1cc(C2(C(=O)N3CC[C@@H](CN)C3)CC2)ccc1C 178551968 VYNJEESDWYXQOX-ZDUSSCGKSA-N 288.391 1.842 0 50 CDAA COc1cccc(C(=O)N2CC(N3CCCCC3)C2)c1O 220331298 NINMRGLYUMZICA-UHFFFAOYSA-N 290.363 1.711 0 50 CDAA O=C(NCCNc1cnc(Br)cn1)C1CC1 380464840 AMUIKNRKIAJJQF-UHFFFAOYSA-N 285.145 1.177 0 50 CDAA CC[C@@H](NC(=O)c1cc(C(F)F)[nH]n1)c1ncnn1CC 426514636 JPVKNHBVTCGTCG-SSDOTTSWSA-N 298.297 1.840 0 50 CDAA CN(CCCc1nccn1C)C(=O)C(=O)c1cccnc1 223924843 UAGAMDAKRBUKPF-UHFFFAOYSA-N 286.335 1.089 0 50 CDAA CN(C(=O)c1c[nH]nc1-c1ccccc1F)[C@H]1CCNC1 179095461 HKZBVOJJCGVONW-JTQLQIEISA-N 288.326 1.650 0 50 CDAA CN(CCC[C@@H]1CCCO1)C(=O)NCCn1cccn1 426552029 OZWHPQXXWLCBHJ-CYBMUJFWSA-N 280.372 1.484 0 50 CDAA Cc1nc(NCc2nc[nH]c2C)cc(C2CC(O)C2)n1 220326210 VSCNGODYSKAAIC-UHFFFAOYSA-N 273.340 1.667 0 50 CDAA Cc1ccc(NC(=O)Cn2nc(C)ccc2=O)cc1 44394489 YSWRCYSNWBSSJC-UHFFFAOYSA-N 257.293 1.499 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)CN2CCN(C)C2=O)c1 426712298 ZGGPTNXDAQXNOH-UHFFFAOYSA-N 290.367 1.024 0 50 CDAA CCn1ccc(CSc2nnc(CNC)n2C)n1 426575067 SKNHVWWWMNHWIK-UHFFFAOYSA-N 266.374 1.043 0 50 CDAA OCC1(c2nc([C@H]3CCOC3)nn2-c2cccnc2)CC1 97717045 QZZGTYHDQLOHOH-NSHDSACASA-N 286.335 1.190 0 50 CDAA Cn1ccnc1C1CCN(C(=O)[C@H]2CCCCO2)CC1 97217686 FGZICHHAEPXWTC-CYBMUJFWSA-N 277.368 1.695 0 50 CDAA O=C(C1CC1)N1CCCC[C@H]1c1nc(-c2cccnn2)no1 95527262 RMGQLHSTCWLGCZ-LBPRGKRZSA-N 299.334 1.990 0 50 CDAA COCC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCO1 97179457 CIMYDANNODZDJR-CQSZACIVSA-N 293.363 1.695 0 50 CDAA CN1CCN(C(=O)c2ccc3c(C=O)c[nH]c3c2)CC1 858091281 YQZJNCUNXRLYEN-UHFFFAOYSA-N 271.320 1.368 0 50 CDAA CC[C@H](C(=O)N(C)CCn1ccnc1C)n1cccn1 91646139 DIQDAGNFSSZQJS-CYBMUJFWSA-N 275.356 1.498 0 50 CDAA Cc1cccc(OCC(=O)N2C[C@@H](C)[C@@](C)(O)C2)c1 91635734 KJGICSIPSMZLHB-DOMZBBRYSA-N 263.337 1.603 0 50 CDAA O=C(CCC(F)(F)F)N[C@H]1CCc2c[nH]nc2C1 330966281 CYYGNODGFGLGQW-QMMMGPOBSA-N 261.247 1.726 0 50 CDAA CC(C)Cc1cc(-c2cn([C@H](C)C(=O)O)nn2)n[nH]1 95359458 PIYKZMZMZYCEOQ-MRVPVSSYSA-N 263.301 1.512 0 50 CDAA Cc1nc(C)c(C(=O)N2CC(C)(C)[C@](C)(O)C2)s1 91725154 KZTSPKOQDPSVLK-CYBMUJFWSA-N 268.382 1.993 0 50 CDAA CCN(CCN(C)C)C(=O)c1cnc(C2CC2)nc1 97681961 PHMQLUPFTDAUHQ-UHFFFAOYSA-N 262.357 1.378 0 50 CDAA Cn1cnc2cc(C(=O)NCC[C@@H]3CCCN3)ccc21 97425543 KJWZGIJSNKVETG-LBPRGKRZSA-N 272.352 1.445 0 50 CDAA N[C@H]1CC[C@@H](CN2CCC[C@H](CN3CCCC3=O)C2)CC1 244601771 DRMCUGZGVWXYSD-HRCADAONSA-N 293.455 1.838 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)CCCc1cn[nH]c1 244724407 MTIGOENYPNAMGP-LLVKDONJSA-N 290.371 1.611 0 50 CDAA NC[C@@H]1CCCCN1CCC(=O)NCc1cccs1 244601898 DTWBGGGKCSOPLB-LBPRGKRZSA-N 281.425 1.568 0 50 CDAA CCCCS(=O)(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 244646967 GSNUXNRMTSKZQL-OBJOEFQTSA-N 298.408 1.613 0 50 CDAA CC(C)c1n[nH]c(=N[C@H]2Cc3ccccc3NC2=O)o1 624630566 QBWOVCKFNBUMFV-NSHDSACASA-N 272.308 1.590 0 50 CDAA CCc1ccc(C(=O)N[C@@H](CC)[C@H]2C[C@H](O)C2)[nH]1 252536275 IAUFJYBHXPTQNV-DLOVCJGASA-N 250.342 1.856 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@@H](C)c2ncccc2C)[nH]1 534638537 XNELZVYTCZETPD-NSHDSACASA-N 271.320 1.878 0 50 CDAA CC(C)C[C@H](NC(=O)c1ccc2cccnc2n1)C(=O)O 863981840 NEVRKSYZJMHGGI-LBPRGKRZSA-N 287.319 1.859 0 50 CDAA Cc1nnc([C@@H](C)NC(=O)c2ccn(C(C)C)n2)[nH]1 286384429 NIZPOAZUZXDLDV-MRVPVSSYSA-N 262.317 1.382 0 50 CDAA CCn1nc(C)c(C(=O)N(C)Cc2ncon2)c1C 299766624 KHSIVNBMDNCSOS-UHFFFAOYSA-N 263.301 1.175 0 50 CDAA CC(C)(C)OC(=O)N1CCN(C(=O)n2cccn2)CC1 299833529 PTANHFGPGVCEMD-UHFFFAOYSA-N 280.328 1.404 0 50 CDAA NC(=O)C1(NC(=O)c2ccc(F)c(O)c2)CCCCCC1 299797797 CKWMBVBJZKUPQP-UHFFFAOYSA-N 294.326 1.839 0 50 CDAA Cc1ncn(C)c1C(=O)N[C@@H](c1nccn1C)C(C)C 299783201 ZBNRUEOUUHMQKB-LLVKDONJSA-N 275.356 1.589 0 50 CDAA Cc1cc(=O)cc(C(=O)NC2(C(N)=O)CCCCCC2)o1 299765186 CQCDKODZLODDOS-UHFFFAOYSA-N 292.335 1.256 0 50 CDAA CCCn1cnnc1CNC(=O)C[C@H](C)n1ccnc1C 823031334 RZPXURDBZHHFBS-NSHDSACASA-N 290.371 1.461 0 50 CDAA CN(C)CCn1cc(NC(=O)c2cccn2C)cn1 585146022 QXTZPNROUGIYBP-UHFFFAOYSA-N 261.329 1.036 0 50 CDAA CC(=O)NC(C)(C)C[C@@H](C)NCC1(CO)CCC1 584891980 XCMUWGKJPKAKMX-LLVKDONJSA-N 256.390 1.432 0 50 CDAA Cc1cc(CC(=O)NC2(CO)CCCCCC2)on1 584901036 LYBFUJAWEGFTKF-UHFFFAOYSA-N 266.341 1.727 0 50 CDAA COc1cc(C(=O)N(C)C[C@@H]2CCOC2)ccn1 584898164 YIQVUDWZICECGU-JTQLQIEISA-N 250.298 1.199 0 50 CDAA Cc1cc(C)n([C@@H](C)C(=O)NCc2nonc2C)n1 584898029 LTJYNHFEANSMES-JTQLQIEISA-N 263.301 1.069 0 50 CDAA Cc1nccc(C(=O)NC[C@H](C(=O)O)C2CCCCC2)n1 630264887 JZIBVIXJCNYMEP-LBPRGKRZSA-N 291.351 1.796 0 50 CDAA COc1cc(F)c(C(=O)N2CC[C@H](C(=O)O)C2)cc1OC 269204448 SUPKDVYJAAJPQV-QMMMGPOBSA-N 297.282 1.390 0 50 CDAA COc1ccc(F)cc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553477893 YCKSBXDLNJHJCM-NHYWBVRUSA-N 293.342 1.467 0 50 CDAA CCNC(=O)CN(C)C[C@H]1COC2(CCCCC2)O1 952884015 RIWBIODBFKTDRS-LBPRGKRZSA-N 270.373 1.130 0 50 CDAA O=C(NC[C@@]12COC[C@@H]1C2)N[C@H]1CCCc2cnccc21 1875272068 CWWVUQZRZGYOIT-NOLJZWGESA-N 287.363 1.795 0 50 CDAA Cc1noc(C2CCC(NC(=O)C3(O)CC3)CC2)n1 1875293382 NXBPYBPICXPOAC-UHFFFAOYSA-N 265.313 1.045 0 50 CDAA O=C(NN1CC[C@@H](C(F)(F)F)C1)C1CSC1 1875269500 ITOLMOOJEZJGGE-SSDOTTSWSA-N 254.277 1.265 0 50 CDAA O=C(Nc1cc2ncccn2n1)c1cccc(O)n1 1875333527 ZXGMWNQIUFDTAP-UHFFFAOYSA-N 255.237 1.082 0 50 CDAA O=C(N[C@@H](CO)Cc1ccoc1)c1ncc(Cl)s1 1875313203 YWSYOSOFCPKMJW-MRVPVSSYSA-N 286.740 1.723 0 50 CDAA C[C@H](CNc1nc2ccccc2n2nnnc12)CN(C)C 1333767374 NMCDIOFZUVOLEA-SNVBAGLBSA-N 285.355 1.282 0 50 CDAA COc1ccc(-n2cc(CN(C)C(C)=O)nn2)cc1 899692360 FZNSMASKPXTHKL-UHFFFAOYSA-N 260.297 1.254 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc2c(c1)CCC2 1565526008 RHTTVWSDPYWSLZ-GJZGRUSLSA-N 275.348 1.709 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Br)o3)C[C@@H]21 248584398 FXOWRZULMKWGHY-HRDYMLBCSA-N 299.168 1.851 0 50 CDAA CCOc1ccc2c(c1)[C@@H](NS(=O)(=O)CC)CCO2 186644749 USQFVFLENSQZHH-LBPRGKRZSA-N 285.365 1.848 0 50 CDAA O=C(CSCC1CCCC1)N[C@H]1CCCCNC1=O 170079305 MSLMWLNSHRHPSZ-LBPRGKRZSA-N 284.425 1.695 0 50 CDAA CCC1(CC)[C@@H](NC(=O)C2(O)CCC2)C[C@H]1OC 170083977 IGGYWTSPDBOOLO-WDEREUQCSA-N 255.358 1.611 0 50 CDAA CCOC1CC(O)(CNC(=O)[C@@H]2CCCO[C@@H]2CC)C1 408474557 DXNUSAFOLYQRKF-DNCHLWJUSA-N 285.384 1.238 0 50 CDAA C[C@H](CN1CCOCC1)NC(=O)c1ccccc1N(C)C 408524558 VQDFJVNLULFAAQ-CYBMUJFWSA-N 291.395 1.203 0 50 CDAA COCCOc1cccc(C(=O)NC[C@@H]2CC[C@@H](O)C2)c1 170609881 BVTRAXQBZBPRHO-TZMCWYRMSA-N 293.363 1.603 0 50 CDAA CCc1ccc(/C=C/C(=O)Nc2[nH]c(=O)ncc2F)o1 170605959 APDKWLIJGXBEPZ-AATRIKPKSA-N 277.255 1.716 0 50 CDAA C[C@H]1COCCN1C(=O)c1cccnc1C(F)(F)F 170608806 CBZQARDVDJIOHP-QMMMGPOBSA-N 274.242 1.961 0 50 CDAA COc1cccc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)c1 171327965 VZOQNOZNBCTPON-GFCCVEGCSA-N 286.335 1.340 0 50 CDAA COC(=O)c1cc(Cn2ccnc2C(C)=O)oc1C 225543638 NMOAACLYESXLRK-UHFFFAOYSA-N 262.265 1.822 0 50 CDAA Cc1cc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)on1 188823518 ZVEZNFQMQGBEEI-SNVBAGLBSA-N 289.339 1.915 0 50 CDAA Cc1cnc(CCNC(=O)Nc2cn(C)nc2C)s1 189639418 WWYGROHWBOVQGO-UHFFFAOYSA-N 279.369 1.858 0 50 CDAA Cn1ncc2c(=O)[nH]c(/C=C/c3cccnc3)nc21 193585711 MPQKIYDNIKVBDW-SNAWJCMRSA-N 253.265 1.222 0 50 CDAA COC(=O)c1cc(C)nc(N2CC[C@H](c3ccncc3)C2)n1 599099871 FUZDNGFZLUCMRD-ZDUSSCGKSA-N 298.346 1.961 0 50 CDAA O=C(O)[C@]1(C(=O)Nc2c[nH]ccc2=O)CC=CCC1 653293721 JGOBVNOWNZUHGL-CYBMUJFWSA-N 262.265 1.125 0 50 CDAA COC1(CNC(=O)[C@@H]2CCCc3nc[nH]c32)CCC1 580178797 DMVDHIMTXVSWBF-SNVBAGLBSA-N 263.341 1.515 0 50 CDAA Cc1c[nH]cc1C(=O)N1CCC(N2CCOC[C@H]2C)CC1 584345352 QGIWVLCLBBMLKP-CYBMUJFWSA-N 291.395 1.648 0 50 CDAA CSC[C@@H](C)C(=O)N(C)[C@@H](C)c1nc(C)no1 585090748 DMSWLRSPWOWWHM-SFYZADRCSA-N 257.359 1.897 0 50 CDAA CN1CCC(N(CCO)C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 585126609 DBEXXWLBTLGERF-KKUMJFAQSA-N 294.439 1.728 0 50 CDAA CCCCCOCC(=O)NCc1nc(C)c(C(N)=O)s1 585126252 UERFGVQBRKJEQZ-UHFFFAOYSA-N 299.396 1.373 0 50 CDAA O=C(NCCOC(=O)C1CC1)Nc1ccc(F)cn1 585119558 KXRPESHSSDUOAM-UHFFFAOYSA-N 267.260 1.295 0 50 CDAA Cc1cnc(NCCc2cccn2C)nc1N(C)C 1529095263 QVKRITFEIOJUOC-UHFFFAOYSA-N 259.357 1.844 0 50 CDAA Cc1c(Cl)cccc1C(=O)NC[C@](C)(O)C(=O)O 219558873 SXLZXGGWGZENSD-LBPRGKRZSA-N 271.700 1.214 0 50 CDAA Cc1cc(C)n(C2CN(c3nc(C)c(C)cc3C(N)=O)C2)n1 1529161404 IDKJTQPILPXAEC-UHFFFAOYSA-N 299.378 1.672 0 50 CDAA COCc1cc(CN2CC[C@@H]3CNC[C@@H]32)ccc1OC 225387168 JKQPVAIJEWGYTQ-HIFRSBDPSA-N 276.380 1.635 0 50 CDAA COCC[C@H]1COCCN1Cc1nccn1C(C)C 368244934 WYQYZQAWPUJGKA-ZDUSSCGKSA-N 267.373 1.701 0 50 CDAA CC1(C)CN(C(=O)c2scnc2C2CC2)CCN1 134441957 IPPRUCDPFFCLFR-UHFFFAOYSA-N 265.382 1.845 0 50 CDAA O=C(CCN1CCCC1)NC[C@@H]1COc2ccccc2O1 379339 LGIMQBGKELFJBB-CYBMUJFWSA-N 290.363 1.429 0 50 CDAA CCCc1cnc(N2C[C@@H](O)[C@H](Cc3ccncc3)C2)nc1 1704300090 UDNMVNXZWRBBQA-HZPDHXFCSA-N 298.390 1.864 0 50 CDAA Cc1cccc(N2Cc3nn(CC(C)C)c(=O)n3C2=O)c1 1547201225 QXNIJIGPVAQARP-UHFFFAOYSA-N 286.335 1.998 0 50 CDAA CO[C@@H](C)C(=O)Nc1ccc(OCC(=O)O)c(Cl)c1 262029648 AQMCDZRZBNNMOZ-ZETCQYMHSA-N 287.699 1.777 0 50 CDAA CCc1ccc(CC(=O)NC2CC3(C2)C[C@H]3N)nc1 1615547300 STIDAXBCPPSVLL-JVWICGRDSA-N 259.353 1.183 0 50 CDAA O=C(N[C@H]1COC[C@@H]1Cc1ccncc1)C1CCCC1 1615738701 WOOBVXROBJSXSG-GJZGRUSLSA-N 274.364 1.946 0 50 CDAA CCc1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc1 1616040798 FCVVORSTLUISQH-HUUCEWRRSA-N 275.396 1.679 0 50 CDAA CS(=O)(=O)N1C[C@@H](CCC(=O)O)Cc2ccccc21 1616039840 WVKZICJKGPQPTA-JTQLQIEISA-N 283.349 1.490 0 50 CDAA O=C(NCCc1ccccc1)N1C[C@H]2C[C@H](O)[C@H]2C1 1772811656 WUTTWSLAMORJSF-RDBSUJKOSA-N 260.337 1.251 0 50 CDAA c1ccc2c(c1)CCc1nnc(C3CCNCC3)n1-2 1772817164 KOFGPUKUNGOYEV-UHFFFAOYSA-N 254.337 1.833 0 50 CDAA CCCN1CCC(N2CCC(C(N)=O)CC2)CC1 5092879 PJUYWYUULMVDCC-UHFFFAOYSA-N 253.390 1.058 0 50 CDAA COc1cc(CN2CCN(C)CC2)cc(OC)c1OC 19360876 FGWAFIJYVQGPKE-UHFFFAOYSA-N 280.368 1.460 0 50 CDAA COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)C1CCCCC1 19641606 GBEYGXFPGMRCDT-CYBMUJFWSA-N 291.351 1.416 0 50 CDAA CC[C@H](CCCc1c(O)nc(O)nc1O)C(=O)O 19862331 SKQJJNVLRHAHTK-ZCFIWIBFSA-N 256.258 1.027 0 50 CDAA CCN(CC)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 4991406 RGGVSBQPYUBTFJ-UHFFFAOYSA-N 278.308 1.265 0 50 CDAA Cn1nccc1C(=O)NCCn1cc(-c2ccccc2)nn1 1648137627 UWRGFGOECHFFRZ-UHFFFAOYSA-N 296.334 1.109 0 50 CDAA Cn1c(CCc2ccccc2)nnc1SCC(N)=O 6700071 RAUIKWUBNXOSKR-UHFFFAOYSA-N 276.365 1.178 0 50 CDAA CCOc1ccccc1-c1nnc(SCC(N)=O)n1C 6742560 KTHDVLRXSWZDRU-UHFFFAOYSA-N 292.364 1.458 0 50 CDAA COc1ccc(C)nc1N1CCC[C@H](CCC(N)=O)C1 1857674420 HRLIEYUVDHHQNU-GFCCVEGCSA-N 277.368 1.881 0 50 CDAA CCCc1cc(C(=O)NCc2nc3ncccc3o2)n(C)n1 1857691972 JBRUODWFGWNMFV-UHFFFAOYSA-N 299.334 1.839 0 50 CDAA CN(C)C(=O)c1cncc(-c2cccc3nc(O)[nH]c23)n1 1857710562 DJXTVVYSHAFNLA-UHFFFAOYSA-N 283.291 1.427 0 50 CDAA CN(C)C[C@H]1[C@H]2CN(C3CCOCC3)C[C@]23CC[C@H]1O3 1857735974 KIKYBJGFRAZUJU-ZJIFWQFVSA-N 280.412 1.206 0 50 CDAA C[C@@H](Cc1ccc(NC(=O)c2cncn2C)cc1)C(=O)O 630162701 OOPKUPHPZCRESA-JTQLQIEISA-N 287.319 1.936 0 50 CDAA C[C@@H](Cc1cccs1)C(=O)N1CCO[C@H](C(=O)O)C1 237377508 USSOUPVOIRESNH-ONGXEEELSA-N 283.349 1.239 0 50 CDAA Nc1ccc2c(I)n[nH]c2c1 14983603 QSRGYTWPGHFSQH-UHFFFAOYSA-N 259.050 1.750 0 50 CDAA in-vitro C[C@H](c1nnnn1C)N1CCO[C@@H](c2ccccc2)C1 249499275 WTUYCVVIYNBEHA-DGCLKSJQSA-N 273.340 1.345 0 50 CDAA CN(C)c1nccc(N2CC[C@@](CO)(c3ccccc3)C2)n1 360046763 HZMLEQLLBBXHMO-QGZVFWFLSA-N 298.390 1.683 0 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UDWZGLLWPNXIBW-GXSJLCMTSA-N 291.330 1.209 0 50 CDAA CC(C)OC(=O)C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 2134791415 DLPYJKFCMRMSIX-ASNHAOSHSA-N 266.337 1.838 0 50 CDAA O=S(=O)(NC[C@@H]1CCCO1)c1ccc(F)c(Cl)c1 463432 JNFTWDTXFGJVPB-QMMMGPOBSA-N 293.747 1.936 0 50 CDAA O=C(NCC1CCOCC1)[C@H]1Cc2ccccc2CN1 111174283 CZAMLULGKGXBNU-OAHLLOKOSA-N 274.364 1.244 0 50 CDAA Cc1cnc(CNC[C@@H](O)c2ccccc2F)o1 231652316 PMLIHNVEVROEJR-GFCCVEGCSA-N 250.273 1.945 0 50 CDAA C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2COc3ccccc32)C1 127258946 DKYQLPWUCFUVGM-RAIGVLPGSA-N 260.337 1.624 0 50 CDAA C[C@](O)(CN1CC[C@H]2CC[C@@H](C1)N2)c1ccccc1 252689428 RDTJMZQABUUBAB-PMPSAXMXSA-N 260.381 1.720 0 50 CDAA C[C@H]1CN(C(=O)c2ccc3[nH]ncc3c2)C[C@H](C)N1 153761805 NOZTZUUYSJNZTM-UWVGGRQHSA-N 258.325 1.385 0 50 CDAA C[C@@H]1CNCCN1S(=O)(=O)c1cccc2ncccc12 158371953 YQRPQZAEAGTCNL-LLVKDONJSA-N 291.376 1.217 0 50 CDAA O=C(NCC1(C(=O)O)CCOCC1)N1CCCCCC1 165942537 SUGDACVHAQMUFP-UHFFFAOYSA-N 284.356 1.453 0 50 CDAA O=C(NC[C@@H](CC1CC1)C(=O)O)[C@@H]1CCCCO1 405442294 VVXGVOUZTJWQBE-MNOVXSKESA-N 255.314 1.173 0 50 CDAA COc1cccc(CNC(=O)N2CC[C@H](CN)C2)c1 426517675 VBEDWGGJPZKASV-GFCCVEGCSA-N 263.341 1.185 0 50 CDAA Cc1cc(C(F)(F)F)nc(N[C@H]2CNC(=O)C2)n1 547708079 DJKFBFRJRATXMU-ZCFIWIBFSA-N 260.219 1.104 0 50 CDAA CN(C(=O)c1cnn2c1CCCC2)[C@@H](CN)C1CC1 647085532 MMZUTLYWDFNJHB-ZDUSSCGKSA-N 262.357 1.029 0 50 CDAA Cc1cnc(C(=O)N[C@]23CCC[C@@H]2NCC3)c(C)c1 1354581829 QXTLQLICSZHPMJ-WFASDCNBSA-N 259.353 1.713 0 50 CDAA CC(C)c1nnc(NC(=O)CSc2nncn2C)s1 52697 SGLCDSGCIOTBQM-UHFFFAOYSA-N 298.397 1.521 0 50 CDAA O=C(NCCCn1ccnc1)c1ccc2c(c1)OCO2 2486403 SNNXZVQNSGRBJU-UHFFFAOYSA-N 273.292 1.432 0 50 CDAA COc1cc(OC)cc(-c2nc(-n3ccnc3)n[nH]2)c1 2100537022 GEHFOYMQVKSWQE-UHFFFAOYSA-N 271.280 1.675 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)c1ccc2ccn(C)c2n1 2100541241 XQHQGYXFTFUWKS-JTQLQIEISA-N 298.350 1.676 0 50 CDAA CCN(Cc1nc(C)no1)C(=O)[C@H]1CC[C@@H](C(=O)O)C1 426479851 XDKLVIORVOXNKV-VHSXEESVSA-N 281.312 1.227 0 50 CDAA CC[C@@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)N(CC)CC)C1 2325798964 LOWZRBNPCJKJIB-MNOVXSKESA-N 292.401 1.148 0 50 CDAA CCn1cnnc1[C@@H]1C[C@@H]1C(=O)Nc1ncc(C2CC2)o1 2325804628 AKHUGUGBLDNFPE-ZJUUUORDSA-N 287.323 1.906 0 50 CDAA C=CC(=O)N1CCC(O)(C(=O)c2ccc(F)cc2F)CC1 2325890339 SUINPGZMWRLBIV-UHFFFAOYSA-N 295.285 1.687 0 50 CDAA COc1cccc(CSc2nc(N)cc(N)n2)c1 54657 NSRFTCMSGJLFQI-UHFFFAOYSA-N 262.338 1.942 0 50 CDAA COC(=O)N1CCN(c2ccccc2OC)CC1 200661 ISONAXKYRKHVJE-UHFFFAOYSA-N 250.298 1.584 0 50 CDAA CCC[C@@]1(C(=O)O)CN(c2cncc(C)n2)CC[C@@H]1O 2356144830 NSWFQNOKPGZPFN-SMDDNHRTSA-N 279.340 1.227 0 50 CDAA O=C1NC[C@H]2CN(Cc3c(Cl)cncc3Cl)C[C@@H]12 2356145108 AWZZMNCTYDTBBJ-JGVFFNPUSA-N 286.162 1.566 0 50 CDAA O=C(C[C@@H]1SC(=O)NC1=O)Nc1cccc(O)c1 3902610 NFFMWUIMXITYGA-QMMMGPOBSA-N 266.278 1.072 0 50 CDAA Cn1c(=O)n(C)c2cc(CNCc3ccco3)ccc21 6678566 IDDDMIDGOAPOKH-UHFFFAOYSA-N 271.320 1.760 0 50 CDAA O=C(NC[C@H]1CCN(C2CC2)C1)N[C@H]1C[C@H]2CC[C@H]1O2 247431380 IJBGJRIZVQYHJT-RUZUBIRVSA-N 279.384 1.090 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@H]1CCOC1 176676525 ALMDLDUQNAGAHV-NSHDSACASA-N 251.330 1.064 0 50 CDAA CSCC[C@H](C)NCCn1c(C)cc(C)nc1=O 65386422 KFRWUVQPINAMSM-JTQLQIEISA-N 269.414 1.591 0 50 CDAA O=C(NCCC1=CCNCC1)N1CCOC[C@H]1C1CC1 333718063 UCIMUPVHBRCMIA-AWEZNQCLSA-N 279.384 1.117 0 50 CDAA CCc1nccc(-c2nccn2CCn2ccnc2)n1 67894748 MPJRDBBAXGVRIX-UHFFFAOYSA-N 268.324 1.799 0 50 CDAA Cc1cnc(NCCn2cccn2)nc1-c1ccnn1C 20997353 MTYYIWOEGQKNEZ-UHFFFAOYSA-N 283.339 1.494 0 50 CDAA CN(CCN(C)C1CC1)C(=O)c1cccc2nc(O)[nH]c12 328592835 IDGAWOCQGFBVQG-UHFFFAOYSA-N 288.351 1.435 0 50 CDAA COc1ccccc1OC1CN(Cc2cnc(N)nc2)C1 65408906 NRUHGIRZHMEXRR-UHFFFAOYSA-N 286.335 1.331 0 50 CDAA CCC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2F)C1 236830207 WMTXTURTIRUVOR-UONOGXRCSA-N 280.343 1.853 0 50 CDAA C[C@@H]1CNCCN1C(=O)[C@H]1SCCc2ccccc21 125184971 INPAUQBVDAUMPN-RISCZKNCSA-N 276.405 1.837 0 50 CDAA CCn1cc(S(=O)(=O)Nc2c(C)ccnc2C)cn1 330910104 VGDWSZAFZGJZTK-UHFFFAOYSA-N 280.353 1.716 0 50 CDAA CCn1nc(C)c(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1Cl 154273849 KHTURTWULYACCE-RKDXNWHRSA-N 284.791 1.687 0 50 CDAA CC(C)N1CC[C@@H](NC2CC(c3ccccn3)C2)C1=O 368575166 IMJUXONUOPTEPV-SSDMNJCBSA-N 273.380 1.927 0 50 CDAA Cn1ncc2c(N3CCC[C@@H](c4nc[nH]n4)C3)ccnc21 367260832 SMLYNXCKAZJPTQ-SNVBAGLBSA-N 283.339 1.470 0 50 CDAA Cc1nc(C[C@H]2CCCN(C(=O)[C@@](C)(N)C3CC3)C2)no1 237774011 LOMVYZCXXIYVEE-ABAIWWIYSA-N 292.383 1.287 0 50 CDAA CC1(CNC(=O)CC2CS(=O)(=O)C2)CCCCCC1 606445867 ARBXMEGONZIMDI-UHFFFAOYSA-N 287.425 1.898 0 50 CDAA CCc1cc(NCCN2CCCC2)n2nccc2n1 72425291 ITVBJRLCQURLKL-UHFFFAOYSA-N 259.357 1.799 0 50 CDAA COc1ccnc(CN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 284758025 JXKOGKLIVYTLLA-XHSDSOJGSA-N 292.379 1.452 0 50 CDAA Cc1noc(C(C)(C)NC(=O)c2ncc(F)cc2F)n1 284852202 KPKXWVVMBSLRAW-UHFFFAOYSA-N 282.250 1.716 0 50 CDAA Cc1[nH]c2c(c1C(=O)N1CCn3cncc3C1)C(=O)CCC2 72146770 KBMQQICFEIWEQA-UHFFFAOYSA-N 298.346 1.695 0 50 CDAA CC[C@](CNC(=O)c1cncnc1)(C(=O)O)c1ccccc1 263021240 ONIRGZHMICTUKX-MRXNPFEDSA-N 299.330 1.639 0 50 CDAA C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C(=O)O 263194454 LQNKIOFEETYPKP-BXKDBHETSA-N 274.320 1.752 0 50 CDAA CO[C@@H]1C[C@H](CC(=O)O)N(C(=O)c2cccc(F)c2C)C1 263246450 SGWHEWNWZIOYGR-GHMZBOCLSA-N 295.310 1.838 0 50 CDAA O=C(NCc1cnn2ccccc12)c1cnc2ccccn12 72139121 QLODEDRESNCKII-UHFFFAOYSA-N 291.314 1.912 0 50 CDAA Cc1ccc2nc(C)cc(C(=O)N[C@H](C)c3nnn[nH]3)c2c1 77521939 YDAXGPHPYRDMGL-SNVBAGLBSA-N 296.334 1.856 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)o1 286327799 ODMDGDRKUBCUJR-XQQFMLRXSA-N 279.336 1.590 0 50 CDAA Cn1cc(S(=O)(=O)N2CCc3c(F)cc(F)cc32)cn1 194172675 IHBCCWHLKOTVCH-UHFFFAOYSA-N 299.302 1.450 0 50 CDAA O=C(O)[C@@H]1Cc2c(Br)cccc2CN1 223686327 CDYAVXBKLHMJBS-VIFPVBQESA-N 256.099 1.548 0 50 CDAA COc1ccc2[nH]c(CCNC(=O)[C@H]3CCCO3)nc2c1 41305031 VTMOTRAQQRJHIW-CYBMUJFWSA-N 289.335 1.409 0 50 CDAA O=C(c1ccsc1)N1CCCN(c2ncccn2)CC1 48608474 JCRLYWPFMUEMAC-UHFFFAOYSA-N 288.376 1.891 0 50 CDAA O=c1cc([C@H]2C[C@@H](NC3CCOCC3)C2)nc(C2CC2)[nH]1 220519004 DMUMEDZZBKNFGA-AULYBMBSSA-N 289.379 1.662 0 50 CDAA COc1ccccc1CC(=O)N1CCN2CC[C@H]1C2 615559080 CXEXYORWSDTVCR-ZDUSSCGKSA-N 260.337 1.154 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cncc(F)c1 332112945 AKIXZQSHSQIGCB-XXILOJSOSA-N 252.289 1.823 0 50 CDAA Cc1cc(N2CCC[C@H](CS(C)(=O)=O)C2)ccn1 292627100 DVCQGWIZIDCIQV-LBPRGKRZSA-N 268.382 1.651 0 50 CDAA Cc1nc(CNC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)sc1C 426642891 MDHVOLZLGULUOD-PJXYFTJBSA-N 295.408 1.672 0 50 CDAA O=C(N1CCOc2c(F)cccc2C1)[C@@]1(O)CCSC1 335243553 BPCHLCZJJSUDJT-CQSZACIVSA-N 297.351 1.415 0 50 CDAA Cc1ccc([C@H](C(=O)NCc2ccon2)N(C)C)cc1 95389256 TVRHNEPCANDRKO-CQSZACIVSA-N 273.336 1.902 0 50 CDAA CCCn1nc(C)c(Cn2cc(-c3nccn3C)nn2)c1C 91494572 ICKVQHXDUNQWOI-UHFFFAOYSA-N 299.382 1.950 0 50 CDAA CC1(C)CN(C(=O)CCc2cccnc2)C[C@@]1(C)O 91808889 UZTZPHGCAHHWPP-OAHLLOKOSA-N 262.353 1.634 0 50 CDAA COc1cccn(CC(=O)N(C)Cc2cccs2)c1=O 95516894 HJTPSPLFKGCDBH-UHFFFAOYSA-N 292.360 1.577 0 50 CDAA C[C@H](C(=O)N(C)Cc1noc(C2CC2)n1)c1ccnn1C 622719443 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822555097 QBHMKZMZURSTOH-LBPRGKRZSA-N 252.362 1.120 0 50 CDAA CCOC(=O)[C@H]1CCCN(c2c[nH]nc2CC)C1 725263817 LBKDJXJWBUJSCH-JTQLQIEISA-N 251.330 1.752 0 50 CDAA O=C(/C=C/c1cc(CO)cs1)N1CCC[C@H](O)C1 828835571 YKBMJRRMXLWWLN-UFFNRZRYSA-N 267.350 1.237 0 50 CDAA N=c1[nH]c(CN[C@H]2CCC(=O)N(CC3CC3)CC2)cs1 584892485 SOMJOWHQYGJKON-NSHDSACASA-N 294.424 1.436 0 50 CDAA CC[C@]1(O)CCCN(C(=O)Cc2cc(C)ccn2)C1 584888485 RGWHSXQNZAKKEJ-HNNXBMFYSA-N 262.353 1.696 0 50 CDAA O=S(=O)(NCCCC[C@@H]1CCCO1)N1CCCC1 828388445 DYMIYZHKCSCMQB-GFCCVEGCSA-N 276.402 1.266 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2ccc(F)cc2OC)C1 670449543 VLADMRYTRTZRRS-LLVKDONJSA-N 280.343 1.792 0 50 CDAA CN(C)C[C@H]1COCCN(C(=O)c2cncc(Cl)c2)C1 670456718 JRYVSXIDENKJOJ-LLVKDONJSA-N 297.786 1.385 0 50 CDAA O=c1c2ccncc2ncn1Cc1cc(C2CC2)on1 670465071 LCQPAUZJJHOHSY-UHFFFAOYSA-N 268.276 1.705 0 50 CDAA CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)O 685944195 YPHGGCCRLAMYIS-QMMMGPOBSA-N 253.258 1.286 0 50 CDAA O=C(NCc1ccc(F)cc1)c1cnn(CCO)c1Cl 685945099 URFGNKLAQXWESH-UHFFFAOYSA-N 297.717 1.598 0 50 CDAA C[C@@]1(CNC(=O)c2c(N)nn3ccccc23)CCCCO1 1875285915 GQFDOHVLCACEQL-HNNXBMFYSA-N 288.351 1.606 0 50 CDAA C[C@H](ONC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccncc1 1875297855 GJXPWFXCWCKGGY-CMPLNLGQSA-N 289.335 1.201 0 50 CDAA Cc1ccc(N2CCN[C@@H](c3ccc(O)cc3)C2)nn1 1875286962 OOEDZZHOFWDYDT-CQSZACIVSA-N 270.336 1.642 0 50 CDAA NCc1cccc(NC(=O)c2cccc(CN)c2)c1 1875261461 NUGDNHXLJQDDAI-UHFFFAOYSA-N 255.321 1.856 0 50 CDAA COCCN(C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C)C1CC1 1875394535 LPHWMBNMGTYLCE-VHSXEESVSA-N 293.367 1.683 0 50 CDAA CC(=O)N[C@H](Cc1ccccn1)[C@@H]1COc2ccccc2O1 1875321593 OANDSTLGTYTKFA-PBHICJAKSA-N 298.342 1.969 0 50 CDAA C=CC(=O)NCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 1875303114 WMGXTOYMDAJDDE-ZDUSSCGKSA-N 298.346 1.529 0 50 CDAA CC1=C(C(=O)N[C@@H](C)c2cn3ccsc3n2)OCCO1 952979218 RPRBRMFDTRFEFR-QMMMGPOBSA-N 293.348 1.851 0 50 CDAA COCC[C@H](C)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 886066081 YJJWRDIEIYTVFZ-WCQGTBRESA-N 296.333 1.943 0 50 CDAA C[C@@H]1CCN(c2nc(N)nc(N)n2)[C@H]1c1ccccc1 884642250 FBQFVEPHJQFBRY-MWLCHTKSSA-N 270.340 1.624 0 50 CDAA Cc1ccc(CN(C)c2nc(N)nc(C(F)(F)F)n2)nc1 893435434 APDXJUAYGGSTBO-UHFFFAOYSA-N 298.272 1.812 0 50 CDAA O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1cnc2ccccn12 1361557566 AUDZIQYCDRSFKM-SNVBAGLBSA-N 291.332 1.221 0 50 CDAA CCn1ncc2ncn(Cc3ccnc(OC)c3)c(=O)c21 631020236 ZPMWTIJCFURVLI-UHFFFAOYSA-N 285.307 1.065 0 50 CDAA Cc1ccc(S(N)(=O)=O)c(N2C[C@@H](C)[C@](C)(CO)C2)c1 631373180 UUUZJTMPFRLPFT-RISCZKNCSA-N 298.408 1.097 0 50 CDAA O=C1[C@H]2C[C@@H](O)CN2C(=O)N1c1cccc2ccccc12 170091197 JFXNGLVADJKAJB-BXUZGUMPSA-N 282.299 1.742 0 50 CDAA O=C1C[C@@H](COC(=O)c2c[nH]nc2-c2ccsc2)CN1 170602531 POAKLEXJFZTOQG-MRVPVSSYSA-N 291.332 1.431 0 50 CDAA Cn1ccc2cccc(NC(=O)c3nccnc3N)c21 188129874 LCUZRDDXAYNXEA-UHFFFAOYSA-N 267.292 1.803 0 50 CDAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cscn2)C1 189091361 WWZADKREWHLFNL-WCBMZHEXSA-N 294.336 1.437 0 50 CDAA Cc1ccn(-c2ccccc2NC(=O)NCCO)n1 305076518 VPGYEHDYIDEDSG-UHFFFAOYSA-N 260.297 1.295 0 50 CDAA CC(C)[C@@H](O)Cc1cn([C@@H](C)c2ccccn2)nn1 640995012 DIRFPBBTOCPFDE-FZMZJTMJSA-N 260.341 1.842 0 50 CDAA COc1ccc(C(=O)NC2(C(=O)O)CCC(C)CC2)nn1 225551244 LMLAAPSDIWGWGN-UHFFFAOYSA-N 293.323 1.249 0 50 CDAA CCOC[C@H](C)OC(=O)c1cnn2c1CCCC2 190788836 CJJQXBGLZNLQLQ-JTQLQIEISA-N 252.314 1.801 0 50 CDAA O[C@H]1CCN([C@H]2CCC[C@H]2NCc2noc(C3CC3)n2)C1 643963458 XPKUOWUYNIPBTI-XQQFMLRXSA-N 292.383 1.024 0 50 CDAA CCCCCOCC(=O)N1CC[C@H](c2ncc[nH]2)C1 585127420 ZVXSOMPUQOJMIS-LBPRGKRZSA-N 265.357 1.932 0 50 CDAA COC(=O)[C@H](Cc1ccncc1)NC(=O)Cc1ccoc1 565203769 HPCPOQWJCYTQTG-ZDUSSCGKSA-N 288.303 1.118 0 50 CDAA Cn1cc([C@@H]2CN(CCC(C)(C)C3CC3)C[C@H]2N)cn1 655940516 SYGNUQKHQZCSMU-LSDHHAIUSA-N 276.428 1.973 0 50 CDAA NC(=O)c1cc(C(=O)N[C@H](CCO)c2cccs2)c[nH]1 761927972 CNHOOZTZXOJFRX-SECBINFHSA-N 293.348 1.029 0 50 CDAA Cc1nnc(CN(C)Cc2nc3ccccc3[nH]2)o1 97785373 DVDWPMNIMCBSHP-UHFFFAOYSA-N 257.297 1.886 0 50 CDAA CC[C@H](C(=O)Nc1nccn1C)N1Cc2ccccc2C1=O 1506405736 BQVJQTSYHJBYQJ-CYBMUJFWSA-N 298.346 1.793 0 50 CDAA N[C@H]1CCN(C(=O)CCSCc2ccccc2)C[C@@H]1O 220270035 SDJFPMLCJWILQV-KBPBESRZSA-N 294.420 1.230 0 50 CDAA CCOC(=O)[C@H]1CCCN(C2CC(OCC)C2)C1 225675406 CEDAXMNRYPNHMG-HIFPTAJRSA-N 255.358 1.829 0 50 CDAA CC(C)C1(NC(=O)CNC(=O)c2cscn2)CC1 1615566502 OCZZDZFJVFWQTP-UHFFFAOYSA-N 267.354 1.178 0 50 CDAA O=C1NC[C@@H](Cc2ccccc2)C(=O)N1Cc1cccnc1 1615586400 NBHOUDSXZYDWGR-OAHLLOKOSA-N 295.342 1.992 0 50 CDAA COc1cccc(F)c1CN[C@H]1CC=CC[C@@H]1C(N)=O 1615700915 AVIYOSYEQMQGPQ-GWCFXTLKSA-N 278.327 1.744 0 50 CDAA O=C(Nc1ccccc1)c1cccc(-n2cnnn2)c1 418349 AWEJYUMYRQWAOC-UHFFFAOYSA-N 265.276 1.915 0 50 CDAA CCN(CCCCO)c1nnc([C@H](N)c2ccccc2)o1 1772706899 VBVLIGGEHOVYFS-CYBMUJFWSA-N 290.367 1.717 0 50 CDAA Brc1cccc(CNc2nnn[nH]2)c1 12854410 AGFBOLXLQYQOOA-UHFFFAOYSA-N 254.091 1.574 0 50 CDAA CN1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 13678646 IPYKYEXGLJJSNS-UHFFFAOYSA-N 287.407 1.670 0 50 CDAA CCN1CCN(C(=O)c2ccc(OC)cc2OC)CC1 4819711 VYAYJZGJMIHYFQ-UHFFFAOYSA-N 278.352 1.482 0 50 CDAA CC(C)CNC(=O)C(=O)NCCc1ccc(F)cc1 2362245 CUYADYUSZODNAB-UHFFFAOYSA-N 266.316 1.257 0 50 CDAA COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1F 2905530 IOQIUATUEDSTQV-LBPRGKRZSA-N 278.283 1.969 0 50 CDAA Nc1cncc(N2CCC[C@@H](Cn3ccnc3)C2)n1 1857679389 JVYFHIQIWIGKAY-NSHDSACASA-N 258.329 1.172 0 50 CDAA CCc1nc(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n[nH]1 225393976 OSXPREPAFNEPLD-CHWSQXEVSA-N 290.342 1.814 0 50 CDAA CN(CC1CC1)C[C@H]1CN(C(=O)c2ccoc2)CCO1 328656725 ZPOQBSDGGVIQEF-AWEZNQCLSA-N 278.352 1.462 0 50 CDAA C[C@@H]1CCCN(C(=O)CN[C@H]2CCCn3nccc32)C1 640217716 OMBOQMGGSBJVNH-OLZOCXBDSA-N 276.384 1.566 0 50 CDAA C[C@H](NC(=O)c1ccc(C(=O)O)cc1)[C@H]1CCOC1 132980784 XXHXPIQOTQZVBC-CABZTGNLSA-N 263.293 1.540 0 50 CDAA Cc1cc(N2CCNCC2)ncc1Br 19721228 KMVMTDWWYHSLGI-UHFFFAOYSA-N 256.147 1.562 0 50 CDAA in-vitro CN(C)[C@H]1CCN(C(=O)[C@@](C)(O)CCc2ccccc2)C1 253392253 HHICDLAAOORSGV-RDJZCZTQSA-N 290.407 1.533 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1C[C@@H]1C(=O)O 581919701 QXJGBXSSEBQMBL-BDAKNGLRSA-N 273.292 1.242 0 50 CDAA Cc1c(C(=O)N2CCOC[C@H]2CC(=O)O)cnn1C(C)C 263309090 OWTVDHNVHGKQAW-LLVKDONJSA-N 295.339 1.088 0 50 CDAA Cc1ccccc1[C@@H]1CCN(C(=O)c2nccnc2N)C1 263724469 SJUBENOXAAQRNJ-GFCCVEGCSA-N 282.347 1.997 0 50 CDAA COCCN1CC[C@@H](NC(=O)NCc2ccc(C)s2)C1 265507755 FJFBDZRNXODUMM-GFCCVEGCSA-N 297.424 1.576 0 50 CDAA CC(C)OCC(=O)N1CCOc2ccccc2[C@@H]1C(=O)O 911050745 FKIWVIFUIOSNOO-CQSZACIVSA-N 293.319 1.458 0 50 CDAA Cc1ncc(C(=O)O)cc1C(=O)NOCC1CC1 911809819 OOLIVAUMKCCPPX-UHFFFAOYSA-N 250.254 1.160 0 50 CDAA Cc1c[nH]nc1CN[C@@H]1CCC(=O)N[C@H]1c1ccccc1 840973193 FGSVDKLPYMPUPE-CJNGLKHVSA-N 284.363 1.828 0 50 CDAA O=C1CC[C@H](C(=O)Nc2cccc(Br)c2)N1 183788 MSEAPDVWEYPUDJ-SECBINFHSA-N 283.125 1.666 0 50 CDAA CCCN1CCC(N(C)C2CCN(C)CC2)CC1 221721 SYFPLGLJWXUTNV-UHFFFAOYSA-N 253.434 1.887 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCOc2ccccc21 111184592 NGLLBGUPXHPKSD-NEPJUHHUSA-N 275.304 1.628 0 50 CDAA CN(C[C@@H]1CCCCO1)C(=O)c1ccn(C)c(=O)c1 226564643 CEFSGSZVSSUJBH-LBPRGKRZSA-N 264.325 1.026 0 50 CDAA Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN3)c2)n[nH]1 37769034 MKYLDJHWWOGJIT-LBPRGKRZSA-N 271.324 1.471 0 50 CDAA C1CCN(Cc2noc(C3CCOCC3)n2)CC1 195513684 PJUSPCHMERLCRY-UHFFFAOYSA-N 251.330 1.950 0 50 CDAA CC1(C)C[C@@H](CN2CCC3(CC2)CNCCO3)CCO1 426504005 NSJLDLWUBJGLEP-AWEZNQCLSA-N 282.428 1.646 0 50 CDAA COCc1ccc(C(=O)N[C@H](C(=O)O)C2CC2)s1 426530673 YKGSKVJCDHQUKL-JTQLQIEISA-N 269.322 1.488 0 50 CDAA C[C@@H]1OCC[C@]1(O)CNC(=O)[C@H]1CC12CCCC2 333361600 XQNZVJYXBYDXBS-WDMOLILDSA-N 253.342 1.223 0 50 CDAA Cc1nc(C(=O)N2C[C@@H](C)[C@](C)(CN)C2)c(C)s1 335543524 MLHKQMSERYEEPG-AMIZOPFISA-N 267.398 1.817 0 50 CDAA O=C1NCC[C@@H]1CCN1CCOc2ccccc2C1 653502429 CQOOOFBSOPCBEM-GFCCVEGCSA-N 260.337 1.407 0 50 CDAA O=C1O[C@@H](CN2CCc3ccc(CO)cc32)CC12CC2 368907749 YIZIOQWFCDYKHW-CYBMUJFWSA-N 273.332 1.637 0 50 CDAA O=C(NC[C@@H](C(=O)O)C1CCOCC1)c1ccco1 864275309 VTVXAMHCPXNDNK-SNVBAGLBSA-N 267.281 1.137 0 50 CDAA CC(C)N(Cc1ccccc1F)C(=O)[C@H](C)c1nn[nH]n1 2325807707 NXIHNYDRYCXTNK-SNVBAGLBSA-N 291.330 1.880 0 50 CDAA CCn1ncc2ncn(C[C@H]3C[C@@H](OC)C3)c(=O)c21 871677562 OPBQDHFDCBMNFR-AOOOYVTPSA-N 262.313 1.038 0 50 CDAA Cc1cccc(Cl)c1C(=O)N1CC[C@@H](NCCO)C1 969814077 HDCSNGRVRUAZSQ-LLVKDONJSA-N 282.771 1.445 0 50 CDAA CCc1cc(C(=O)OC)c(NC(=O)CCC(=O)O)s1 214867 MNPQWLRJCBDAHT-UHFFFAOYSA-N 285.321 1.900 0 50 CDAA COc1ccc(CN[C@@H](CCC(=O)O)C(=O)O)cc1 395902 NBGRNGUNBUERFW-NSHDSACASA-N 267.281 1.103 0 50 CDAA biogenic CCOC(=O)CNC(=O)Nc1ccc(C)c(C)c1 2141408 GUHROZJCDZKRNO-UHFFFAOYSA-N 250.298 1.988 0 50 CDAA NCCNC(=O)c1ncsc1-c1cccc(F)c1 2555369 SCKBPXUWGMKLDM-UHFFFAOYSA-N 265.313 1.638 0 50 CDAA O=C(CCn1ccccc1=O)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356136081 GBZBAKRSRAMAEL-WDNDVIMCSA-N 290.363 1.143 0 50 CDAA Cc1nn(C[C@@H](C)C(=O)O)c(C)c1Br 2732089 BZLIXBYMKOSUCJ-RXMQYKEDSA-N 261.119 1.983 0 50 CDAA Cc1nc(O)cc(CNc2c(C)c(C)nc3ccnn23)n1 2356152906 GXOOMNPJGZSQDV-UHFFFAOYSA-N 284.323 1.762 0 50 CDAA CN1CC[C@@H](O)[C@H](C(=O)NCc2cccc(Cl)c2)C1 2356155448 HMAIZFMTHZSWCJ-CHWSQXEVSA-N 282.771 1.269 0 50 CDAA COC[C@H](C)NC(=O)c1cc(-c2ccc(O)cc2)on1 3907767 BOYDVUHHJJVJDC-VIFPVBQESA-N 276.292 1.812 0 50 CDAA C[C@@H](CCCC(C)(C)O)NC(=O)CCN1CCCCO1 55342703 RMWPPSZYPIIDAW-ZDUSSCGKSA-N 286.416 1.850 0 50 CDAA C[C@@H](Cc1ccccc1F)N1CCN(CCO)CC1 22455193 RCZWETNQVRYAGE-ZDUSSCGKSA-N 266.360 1.367 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)C/C=C/c2ccccc2F)C1 345222339 SMEWLXAURGKYIB-CNPQOGTOSA-N 293.338 1.837 0 50 CDAA Cc1cnc(C(=O)N2CCOc3ccccc32)cn1 20256267 PNBUNBOKALJKTR-UHFFFAOYSA-N 255.277 1.824 0 50 CDAA Cc1ccc2nc(CNc3cc(CCN)nc(C)n3)cn2c1 67756344 CFCWYKZNYITJAZ-UHFFFAOYSA-N 296.378 1.854 0 50 CDAA CC1CCN(C(=O)CCN[C@H]2CCSC2)CC1 65370795 FQGGDCKNSCZRTR-LBPRGKRZSA-N 256.415 1.730 0 50 CDAA Cc1cc(-c2n[nH]c(=O)n2-c2cc(F)ccc2C)n(C)n1 65503816 DZEJXRXTVFUMCN-UHFFFAOYSA-N 287.298 1.717 0 50 CDAA C=CC(=O)N1CCC(n2nnc3c2CCCC3)CC1 328599236 QSPSXBGBZPGHMK-UHFFFAOYSA-N 260.341 1.506 0 50 CDAA C[C@H](C(=O)Nc1nccs1)N1CCC(CN)CC1 430608828 FIHRYKGTBUWJOP-SECBINFHSA-N 268.386 1.141 0 50 CDAA CCn1cnnc1[C@H]1CN(Cc2ccn(C)c2)CCO1 328629438 IFMGFVXZRFVZAY-CYBMUJFWSA-N 275.356 1.210 0 50 CDAA CN1CCN(C(=O)C(C2CC2)C2CC2)C[C@H]1c1ncc[nH]1 328615338 ATOMZKYJHSLSKA-ZDUSSCGKSA-N 288.395 1.661 0 50 CDAA CCC1=NO[C@H](C(=O)Nc2cnc3n2CCCC3)C1 67673063 IDKAKBZHRKGRRQ-JTQLQIEISA-N 262.313 1.713 0 50 CDAA CO[C@@H]1COCC[C@@H]1Cc1nc(C2(C)CC2)no1 333043939 AXHASDAWNYJEDQ-NXEZZACHSA-N 252.314 1.715 0 50 CDAA Cc1cc2c(c(-c3ncc(F)cn3)c1)O[C@@H](CN)C2 67954837 UNXLOUUENRETMI-LLVKDONJSA-N 259.284 1.853 0 50 CDAA Cc1ccc([C@H](CNC(=O)c2n[nH]nc2C)N(C)C)cc1 188785410 ZNDLJHHDRRZHPB-ZDUSSCGKSA-N 287.367 1.454 0 50 CDAA Cc1cc2ccccc2nc1N1CCN2C(=O)NC[C@H]2C1 151955876 QOVMNCBPSNWWAU-ZDUSSCGKSA-N 282.347 1.757 0 50 CDAA Cc1ccc(-c2cc(Cn3nnnc3CCO)on2)cc1 521394547 UJTGGOCJPOAQNC-UHFFFAOYSA-N 285.307 1.220 0 50 CDAA CCOc1cc(S(=O)(=O)NC[C@H](C)O)c(C)cc1C 36638822 NUXRTXWETDJTSS-NSHDSACASA-N 287.381 1.361 0 50 CDAA COCCn1cnnc1[C@H](C)n1ccnc1-c1ccccn1 72153048 HOSFHSNYFLCANB-LBPRGKRZSA-N 298.350 1.792 0 50 CDAA O[C@H]1CN(Cc2ncnn2-c2ccccc2)CC12CC2 366865152 BTNNPYQNQNHVCM-ZDUSSCGKSA-N 270.336 1.224 0 50 CDAA O=C(NCc1noc(C2CCCC2)n1)c1cnccn1 219981544 WSCZKIZIDILICD-UHFFFAOYSA-N 273.296 1.447 0 50 CDAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccc(F)cn1 284481670 FPPAUQKEYLDARC-NFAWXSAZSA-N 280.343 1.977 0 50 CDAA CC(C)(C(=O)N1CC[C@H]1Cc1ccccc1)S(C)(=O)=O 332008589 RXSYIESVTIZCKX-ZDUSSCGKSA-N 295.404 1.653 0 50 CDAA N[C@H](C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)c1ccccc1 238006339 YLGNQWAYCFVJBV-KKUMJFAQSA-N 290.363 1.093 0 50 CDAA Cc1cccc([C@@H](NC(=O)[C@@H]2CCCOC2)C(=O)O)c1C 262980330 JKOVLKFKIBNLRA-TZMCWYRMSA-N 291.347 1.972 0 50 CDAA O=C(N1CCC[C@H](OCC2CC2)C1)C1(O)CCCC1 372359608 QCUQHIYQGYVLTD-ZDUSSCGKSA-N 267.369 1.709 0 50 CDAA C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ncnc(N)c2Cl)CC1=O 372967595 OASGNRZBMIGLEO-CSMHCCOUSA-N 281.747 1.133 0 50 CDAA OC[C@]1(F)CCN(c2cccc(-n3ccnc3)n2)C1 374685824 GBNJWTUWCUGJKS-ZDUSSCGKSA-N 262.288 1.178 0 50 CDAA CC(=O)N1CC[C@@](C)(C(=O)Nc2ncc(C3CC3)[nH]2)C1 377129119 MSEBUMXUFZITDG-CQSZACIVSA-N 276.340 1.484 0 50 CDAA O=C(Cc1cccs1)N1CC[C@@H](CN2CCOC2=O)C1 495870641 VDJYROSOGFHCPN-LLVKDONJSA-N 294.376 1.591 0 50 CDAA COCCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 78143387 OLCJDQDASJAXOC-AWEZNQCLSA-N 273.336 1.777 0 50 CDAA Cn1nccc1CCNC(=O)CCc1cccnc1 215657557 JENKAHXEOPIHHR-UHFFFAOYSA-N 258.325 1.107 0 50 CDAA COc1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)O)ccc1C 132941095 KIDWGMDIWRUWGP-NXEZZACHSA-N 265.309 1.843 0 50 CDAA C[C@H](C1CCN(c2ccncc2)CC1)N1CCN(C)CC1 77519422 FUYDDDYABPZCIZ-OAHLLOKOSA-N 288.439 1.934 0 50 CDAA COCCn1ccc(C(=O)Nc2cc(C3CC3)n(C)n2)n1 290846034 HPXSJHDTDMMQHU-UHFFFAOYSA-N 289.339 1.393 0 50 CDAA Fc1ccc(N2CCC(N[C@@H]3CCNC3)CC2)cc1F 426602552 SJNUZBLPMHLWKG-GFCCVEGCSA-N 281.350 1.885 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 220571431 NICCKBDGQQAVAH-UHFFFAOYSA-N 296.334 1.468 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1cncn1C)C2 291210677 FSXHVJPWBXKJKS-OAHLLOKOSA-N 285.347 1.657 0 50 CDAA COc1cc(C(=O)N2CC[C@@H](OC)C2)ccc1F 220746389 ZUOSLQLXLGGLAD-SNVBAGLBSA-N 253.273 1.695 0 50 CDAA Cc1cnc(N2CCC[C@@H](CS(C)(=O)=O)C2)nc1 292789629 QIHOQATVTBDZAT-LLVKDONJSA-N 269.370 1.046 0 50 CDAA Cn1cccc1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 132176878 NBMPPNTVNOMKPC-GFCCVEGCSA-N 275.283 1.121 0 50 CDAA CSCC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 223924175 BLGZSJHLVGZFIK-GIPNMCIBSA-N 266.366 1.373 0 50 CDAA Cc1nn(C)c(C)c1CN(C)C(=O)NCc1nccn1C 426530422 LYFAVGQDOJRNRR-UHFFFAOYSA-N 290.371 1.112 0 50 CDAA COc1ccc(-c2nn3cc[nH]c(=O)c3c2C=O)cc1 98211112 FDESYLVWOSQMJH-UHFFFAOYSA-N 269.260 1.511 0 50 CDAA CC(C)=CCCN1CC[C@]2(CCCN(CCO)C2=O)C1 91562825 ISKYEXKJQRWTFS-MRXNPFEDSA-N 280.412 1.650 0 50 CDAA Cc1nnc2n1[C@@H](C)CN(C(=O)c1cccc(N(C)C)c1)C2 96142181 AZTZUBQAZYWUBP-NSHDSACASA-N 299.378 1.870 0 50 CDAA O=C(O)c1cncnc1N1CCN(Cc2ccco2)CC1 95360322 SRELCWFQDUSTPK-UHFFFAOYSA-N 288.307 1.090 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)NCC(C)(C)CN(C)C 97797718 OTXYUMBZQABOEB-UHFFFAOYSA-N 266.389 1.273 0 50 CDAA CC(C)NC(=O)CNC(=O)[C@H]1CCOc2ccccc2C1 95508649 NMBCGFPDRQQUMV-ZDUSSCGKSA-N 290.363 1.269 0 50 CDAA CN[C@@H](C(=O)O)c1cc(OC)ccc1Br 234416068 FSKRWWSQMTVCPX-SECBINFHSA-N 274.114 1.803 0 50 CDAA Cc1nnc(CCNC(=O)c2cn3ccsc3n2)s1 91460291 WYTWMHQHHKGZIZ-UHFFFAOYSA-N 293.377 1.528 0 50 CDAA CC(=O)N1CCN(Cc2cn3cccnc3n2)C(C)(C)C1 182201843 UBKWVUWGDLLFNU-UHFFFAOYSA-N 287.367 1.172 0 50 CDAA CCc1nccn1CCN1CCC[C@@H]1c1nc(C)n[nH]1 244795073 QYYUENLSUHZJIZ-GFCCVEGCSA-N 274.372 1.709 0 50 CDAA COCCc1noc([C@H](C)NC(=O)c2cncs2)n1 244741970 NZVRWLYJPWQSSR-ZETCQYMHSA-N 282.325 1.206 0 50 CDAA CN(Cc1ccnn1C)Cc1cnc2ccccn12 348379419 UUIBLWMMNXJIMT-UHFFFAOYSA-N 255.325 1.700 0 50 CDAA C[C@@H]1CCCN(C(=O)CN[C@@H]2CCO[C@H]2c2cc[nH]n2)C1 625581615 PEONYYWNERASGW-LALPHHSUSA-N 292.383 1.088 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)O)C12CCC2 299753454 YHAUXUFQQUXGMG-XWLWVQCSSA-N 267.325 1.171 0 50 CDAA CNC1CCN(C(=O)c2ccc(F)c(COC)c2)CC1 299740412 ZKEGIVXWRFSACH-UHFFFAOYSA-N 280.343 1.796 0 50 CDAA CN1CCC(NC2CC(CNC(=O)OC(C)(C)C)C2)CC1 863984303 RPNPQLXGFFANOH-UHFFFAOYSA-N 297.443 1.974 0 50 CDAA CCC[C@H]1C[C@@H](C(=O)NCCN2CC=CCC2)CCO1 253431735 SZEJOWWYBCMIGM-GJZGRUSLSA-N 280.412 1.960 0 50 CDAA COc1cc(C(=O)N[C@@H](C)c2ncc(C)[nH]2)ccn1 534673775 VFMDFXNCPPEWMM-VIFPVBQESA-N 260.297 1.613 0 50 CDAA O=C(CCC(=O)N1CCCCCC1)NCC[C@H]1CCOC1 534657527 YIQIJZCOTJZJEY-AWEZNQCLSA-N 296.411 1.712 0 50 CDAA C[C@H]1CCc2sc(C(=O)NCCn3ccnn3)cc2C1 534653785 XBDLYEBAKWOJFZ-JTQLQIEISA-N 290.392 1.894 0 50 CDAA COCC1(CN[C@H](C)CN2CCN(C)CC2)CCC1 824346823 FTTZYLCBQPZRRG-CQSZACIVSA-N 269.433 1.029 0 50 CDAA Cc1ccccc1-n1nc(CC(C)C)nc1[C@H](N)CO 828799091 GATBLBCVASRZIB-GFCCVEGCSA-N 274.368 1.766 0 50 CDAA N[C@@H]1CCN(C(=O)NCC2(COc3ccccc3)CC2)C1 826951618 MMNBDJAMEVPLJW-CYBMUJFWSA-N 289.379 1.588 0 50 CDAA Cc1csc2c(=O)n([C@H](C)Cn3cncn3)cnc12 584895430 JLERHDAWJWQSGK-SECBINFHSA-N 275.337 1.619 0 50 CDAA CC[C@@H](NC(=O)CCCN1CCOCC1)c1ccncc1 584895575 VRBWINUYEBQWKB-OAHLLOKOSA-N 291.395 1.761 0 50 CDAA Cc1ccc(=NCCCn2cnc3ccncc3c2=O)[nH]c1 584897751 PUUQHTFRWWVGSZ-UHFFFAOYSA-N 295.346 1.419 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CCOc1ccccc1 584891266 VQWCBNCXVFYFMQ-GJZGRUSLSA-N 292.379 1.291 0 50 CDAA Nc1nc(N)c2c(n1)NC(=O)C[C@H]2c1ccc(F)cc1 670416052 CONHEAUFDLTQEN-QMMMGPOBSA-N 273.271 1.254 0 50 CDAA Cc1nc2c([nH]1)CC[C@@H](C(=O)NC1C[C@@H](C)O[C@H](C)C1)C2 165468712 WSTQMRRFBZCPCR-CKYFFXLPSA-N 291.395 1.895 0 50 CDAA O=c1c2c(Cl)cccc2ncn1C[C@@]1(O)CCCNC1 670471433 LUTUTCGEPLHZOP-CQSZACIVSA-N 293.754 1.164 0 50 CDAA Cc1ccc(CNC(=O)c2occ3c2CCOC3)n1C 1548456600 MSRKOSWIMXVVQH-UHFFFAOYSA-N 274.320 1.929 0 50 CDAA Cc1cc(CNC(=O)[C@]23C[C@H]2CC[C@@H]3N)cc(C)n1 1875310733 AAPNVLARJIZOBF-VNHYZAJKSA-N 259.353 1.442 0 50 CDAA Cc1c(C(N)=O)cccc1C(=O)N=c1[nH][nH]cc1C(C)C 1875349898 RUURSWWHUCAKKX-UHFFFAOYSA-N 286.335 1.615 0 50 CDAA Cn1ncc2cccc(OC[C@H]3C[N@@]3CC3CC3)c2c1=O 1875385147 NJKBEYOZRVZQOU-BFUOFWGJSA-N 285.347 1.407 0 50 CDAA CN(C(=O)c1cccnc1Cl)[C@@]1(C)CCOC1 1875374454 QWXKSBYOEBTMGP-LBPRGKRZSA-N 254.717 1.986 0 50 CDAA Cc1ccc(CC(=O)N[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C(=O)O)o1 1875311165 OWMRSQQGTFXDSX-WHOHXGKFSA-N 263.293 1.356 0 50 CDAA CN(C)C/C=C/C(=O)NC1CCC(N2CCCC2=O)CC1 1875377069 RGUONNVPMDTBDS-HWKANZROSA-N 293.411 1.154 0 50 CDAA COc1ccc(C[C@@H](CN)CO)cc1-c1c[nH]ccc1=N 952848532 HDJUGUPZAKFVQV-LBPRGKRZSA-N 287.363 1.279 0 50 CDAA Cc1cc(F)cc(N2CCN([C@H]3CCC[C@H]3O)CC2)n1 952992872 SIRQJNBZEMRSSZ-UONOGXRCSA-N 279.359 1.565 0 50 CDAA Cc1cn(C)nc1CNC(=O)[C@H](CO)c1ccccc1 1875285886 DWOTYIPJZXYMBB-CYBMUJFWSA-N 273.336 1.121 0 50 CDAA O=C(O)c1n[nH]c2ccc(Oc3ncccn3)cc12 1875299948 CPGOEXPAGPYPQT-UHFFFAOYSA-N 256.221 1.843 0 50 CDAA O=C(C1=Cc2ccccc2OC=C1)N1C[C@@H](O)[C@H](F)C1 952982291 WIJMHEBXNMQDER-CHWSQXEVSA-N 275.279 1.517 0 50 CDAA CC1(C)CCC[C@H](CNC(=O)c2cc3n(n2)CCC3)O1 890123884 PGHXAJZCTZRWNS-GFCCVEGCSA-N 277.368 1.907 0 50 CDAA Cn1nc2c(c1C(=O)N[C@@H]1Cc3ccccc3[C@H]1O)CCC2 891097797 WGVZTIJKNVOEGS-GDBMZVCRSA-N 297.358 1.297 0 50 CDAA Cc1cncc(S(=O)(=O)N2CCCc3cccnc32)c1 1776004839 ZKTIMTKRQOAMAA-UHFFFAOYSA-N 289.360 1.927 0 50 CDAA O=C(NCCc1cnc(O)nc1)C1CCC(F)(F)CC1 899696718 REXBLYDLDOUVHL-UHFFFAOYSA-N 285.294 1.666 0 50 CDAA CCCCNC(=O)[C@H](C)N1CCN(C)[C@@H](C(C)(C)C)C1 585116450 WMWCWEWXKATMGF-UONOGXRCSA-N 283.460 1.953 0 50 CDAA CC(C)n1nccc1C(=O)NCCc1cn2cccnc2n1 585131255 QDYBSLQOCAIKIZ-UHFFFAOYSA-N 298.350 1.479 0 50 CDAA CCOc1cc(F)ccc1NC(=O)NC(C)(C)CC(N)=O 585138167 SKVCKYCGWMTTQR-UHFFFAOYSA-N 297.330 2.000 0 50 CDAA CCC1(CNS(=O)(=O)c2cc(C)ns2)CC1 585115167 PAYIPPCCPMRECI-UHFFFAOYSA-N 260.384 1.920 0 50 CDAA CN1CCO[C@@H](CN(CC2CC2)C(=O)c2cccs2)C1 276498455 PGDOSIHULIHGCX-CYBMUJFWSA-N 294.420 1.931 0 50 CDAA C=CC(=O)NCCC(=O)N1CCS[C@@H](C)CC1 277788190 MYQACOXCAKJZQX-JTQLQIEISA-N 256.371 1.033 0 50 CDAA COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccon1 170084626 ZHGDHHMQZWEKLW-NEPJUHHUSA-N 252.314 1.886 0 50 CDAA CC[C@@]1(C)NC(=O)N(CCCNC(=O)[C@H](C)C2CC2)C1=O 170651194 AJXGTZWGAYRXQJ-MEBBXXQBSA-N 295.383 1.259 0 50 CDAA COc1cccnc1N(C)C(=O)C1(S(C)(=O)=O)CCC1 280407899 RVNCFFRBVRBKCW-UHFFFAOYSA-N 298.364 1.020 0 50 CDAA Cn1nncc1C(=O)N[C@@H](c1ccccc1)C1CC1 280954451 JJBOUNNDWJVVSI-ZDUSSCGKSA-N 256.309 1.696 0 50 CDAA CC1(C)CCN(CC(=O)N[C@@H]2CCOC(C)(C)C2)C1 408517173 AUNYXUBXXVHATR-GFCCVEGCSA-N 268.401 1.792 0 50 CDAA CCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)s1 706760087 FJQOCOWTNAKDOU-UWVGGRQHSA-N 255.339 1.190 0 50 CDAA CC(C)COc1ncc(C(=O)NCC(=O)O)cc1Cl 190530327 FQNCKKNBZVGNNB-UHFFFAOYSA-N 286.715 1.584 0 50 CDAA Cc1ccc(CCCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 556976530 AEKJIZVGLZAWPX-HOTGVXAUSA-N 290.407 1.451 0 50 CDAA CC[C@H](O)[C@H]1CCCCN1C[C@@H](O)CN1CCC(C)CC1 195530869 VOJUROBBYILNPW-BBWFWOEESA-N 298.471 1.705 0 50 CDAA O=C(O)c1sccc1CN1CCc2nccnc2C1 659803297 FQOVKGXNJDWPDI-UHFFFAOYSA-N 275.333 1.795 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCOC[C@H]1C1CCC1 911541294 DVCLIMVJZWDSNC-ZDUSSCGKSA-N 280.368 1.048 0 50 CDAA Nc1ncc(/C=C/C(=O)N2Cc3ccccc3[C@@H](O)C2)cn1 1506409983 QEGGPNTXTRHFEC-GJBLVYBDSA-N 296.330 1.148 0 50 CDAA CCc1nc(CN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)no1 1857683339 VUKGNRKKSSWNIH-LBPRGKRZSA-N 294.399 1.711 0 50 CDAA Cn1ccnc1C(=O)N[C@@H](c1ccccn1)C(F)(F)F 1857691291 DDUUPCSMTOTSGJ-VIFPVBQESA-N 284.241 1.849 0 50 CDAA CC1(C(=O)N2CC(OCc3ccccc3F)C2)COC1 1857692500 HPYMSCIGSALRBF-UHFFFAOYSA-N 279.311 1.590 0 50 CDAA Cc1c(-c2ccccc2)nn(C)c1NC(=O)[C@H]1CCC(=O)N1 1529098396 DJJNJQSNVMPWNK-GFCCVEGCSA-N 298.346 1.613 0 50 CDAA COCC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](O)C1 209881736 XJAXKUYKKYFOPQ-OLZOCXBDSA-N 267.300 1.149 0 50 CDAA CCCC[C@@H]1C[C@@H]1C(=O)N(CCO)Cc1cncn1C 1704329427 UVBLPCBXIYJHHZ-OCCSQVGLSA-N 279.384 1.567 0 50 CDAA Cc1ccc(NC(=O)C(=O)NC[C@@H](C)O)cc1Cl 2991465 DXRRIJKSSWAUTJ-MRVPVSSYSA-N 270.716 1.084 0 50 CDAA Cc1nccc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1 1704302123 DLVJLBVNGHGBJZ-ZIAGYGMSSA-N 270.336 1.850 0 50 CDAA C[C@]1(F)CCN(C(=O)c2cc(O)nc(C3CC3)n2)C1 654975929 BFGCDSPWNIKHKQ-ZDUSSCGKSA-N 265.288 1.634 0 50 CDAA O=C(O)[C@H]1CC(=O)N(c2ccccc2Br)C1 12997567 PQRRNWXQURZXGP-ZETCQYMHSA-N 284.109 1.887 0 50 CDAA in-vitro CCc1ccc(C(=O)NCc2nccc(N)n2)s1 131853956 AOVDNSPPEQKHLY-UHFFFAOYSA-N 262.338 1.613 0 50 CDAA CCc1cc(C(=O)N2C[C@H](C)N(C)[C@H](C)C2)c(C)nn1 568312927 NQHDCKHXLAHLSO-PHIMTYICSA-N 276.384 1.512 0 50 CDAA O=C(NCCCc1cccnc1)[C@@H]1CSCCS1 1615585645 FPZXWCRUPRFGFN-LBPRGKRZSA-N 282.434 1.979 0 50 CDAA Cc1ncc(CN2C[C@H](CO)OC(C)(C)C2)s1 163814465 VQZLWRYYFFDTNF-SNVBAGLBSA-N 256.371 1.423 0 50 CDAA OC[C@@]12CNC[C@H]1CN(CCCOCc1ccccc1)C2 1772706944 VLRRZJFNQUNBEF-IRXDYDNUSA-N 290.407 1.107 0 50 CDAA NCc1nnc(NC[C@@H]2CCCN3CCCC[C@H]23)o1 1772816986 CILHSKAOSHYVQK-WDEREUQCSA-N 265.361 1.205 0 50 CDAA CN1C[C@H](CN2CC(Oc3ccccc3F)C2)CCC1=O 1775983055 HBUILWYBMKNLDM-GFCCVEGCSA-N 292.354 1.757 0 50 CDAA CC(=O)NCCC1CCN(CC[C@H]2COCCO2)CC1 1775979336 TYMKOACGDAZMDQ-HNNXBMFYSA-N 284.400 1.030 0 50 CDAA COc1ccc(CNc2ncn[nH]2)c(OC)c1OC 5019283 MNEHKUDIYJAHKB-UHFFFAOYSA-N 264.285 1.443 0 50 CDAA COc1cccc2c1OC[C@H](NCCn1cccn1)C2 12301371 WJWBCLNDCKDYQJ-CYBMUJFWSA-N 273.336 1.485 0 50 CDAA O=C1C[C@H](NC2CCOCC2)CN1CC1CCCCC1 15066192 YUZGGZSYSMCLHV-HNNXBMFYSA-N 280.412 1.936 0 50 CDAA COC(=O)CNc1cc(C)nc2nc(-c3ccccc3)nn12 16490019 AQFBBSMDMYOMEH-UHFFFAOYSA-N 297.318 1.685 0 50 CDAA COc1cccc(CN2CCN(C)[C@@H](C)C2)c1OC 19794836 BSKLUCGUPGRDHQ-LBPRGKRZSA-N 264.369 1.840 0 50 CDAA CNCC(=O)Nc1nc2c(s1)CCCCCC2 152598668 XIIPJADZPKKTCV-UHFFFAOYSA-N 253.371 1.960 0 50 CDAA CC(C)c1nnc(SCC(N)=O)n1C[C@H]1CCCO1 6700361 UURRZSUABLELHQ-SECBINFHSA-N 284.385 1.158 0 50 CDAA N[C@H]1CCN(CCCCOCc2ccccc2)C[C@@H]1O 710009712 GVUGHIPGFNURCH-HOTGVXAUSA-N 278.396 1.377 0 50 CDAA N[C@@H](CNC(=O)CC1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 237967203 LIONXARLQBUDBF-WDVRLDOZSA-N 287.407 1.723 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)N1 12404705 ONNUIAHARWCBFZ-VIFPVBQESA-N 272.226 1.923 0 50 CDAA in-vitro CCCCCOCC(=O)N[C@@]1(C)CN2CCC1CC2 585126611 DBWICJSWXNXYNA-HNNXBMFYSA-N 268.401 1.794 0 50 CDAA CCC1(CC)[C@H](NC(=O)c2cc(CO)on2)C[C@H]1OC 585135451 KKPXWKQRVOOUFD-VXGBXAGGSA-N 282.340 1.490 0 50 CDAA Cn1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)n1 589448640 ZHQDLJHVCJGVQP-CYBMUJFWSA-N 256.309 1.792 0 50 CDAA O=C(c1cccc(-c2ncn[nH]2)c1)N1CCOC2(CCC2)C1 162888405 JENFOQSTUJTPER-UHFFFAOYSA-N 298.346 1.867 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CC(=O)O)C2)C1 1857783430 OAYLKMDRRNVKHQ-HZMBPMFUSA-N 285.340 1.877 0 50 CDAA CN(C)c1cccc(C(=O)N2CCC[C@H]2C2(O)CC2)c1 1772815602 PLQLWWRHGHHQBO-AWEZNQCLSA-N 274.364 1.882 0 50 CDAA C[C@H]1CN(C(=O)c2c[nH]c(C(F)(F)F)c2)S(=O)(=O)C1 835577468 HTGIPUBWKKPCMA-LURJTMIESA-N 296.270 1.455 0 50 CDAA Cc1nn(CC(=O)NCCc2ccc[nH]2)c2ncccc12 935152372 SJUIEKHUASADBP-UHFFFAOYSA-N 283.335 1.427 0 50 CDAA C[C@H]1OCCN(C(=O)c2cccc(C(=O)O)c2)[C@@H]1C 237599872 JDZDHOKQIHUMQG-NXEZZACHSA-N 263.293 1.634 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)COC1CCCCC1 237594370 KTUWMPFMTFIWHW-NWDGAFQWSA-N 254.374 1.674 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 270539500 PNVKMPSFKQTADI-XJFOESAGSA-N 261.321 1.186 0 50 CDAA CC(C)[C@@H]1C(=O)NCCN1c1ncc(Br)cn1 270913426 SOOHGWUGWQIXBS-SECBINFHSA-N 299.172 1.200 0 50 CDAA Cc1nc(CN2CCN(C[C@@H]3CCOC3)CC2)cs1 76877304 ONKVOMAFVZCTKR-ZDUSSCGKSA-N 281.425 1.606 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@@](C)(C(=O)O)C2)nn1 396427634 OODNFMQQRNFRFQ-CYBMUJFWSA-N 263.297 1.112 0 50 CDAA Cn1nccc1[C@@H]1CCCN1Cc1ccc(N)nc1 932261183 IBNPWXPAMKITJN-ZDUSSCGKSA-N 257.341 1.734 0 50 CDAA CC(C)C[C@H](CNC(=O)c1ncc[nH]1)CC(=O)O 863981702 JITZCVWGJPEWKF-VIFPVBQESA-N 253.302 1.277 0 50 CDAA CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2F)NC(=O)N1 107401 LLOHAHBTVZYJJJ-GFCCVEGCSA-N 277.299 1.542 0 50 CDAA CCc1cccnc1C(=O)NC1(c2nn[nH]n2)CCCC1 2325808769 RXBZDNNWSMFVPZ-UHFFFAOYSA-N 286.339 1.356 0 50 CDAA c1ncn(-c2ccc([C@@H]3NCCc4[nH]cnc43)cc2)n1 65394164 IKOFMRMRUHBZOX-ZDUSSCGKSA-N 266.308 1.226 0 50 CDAA Cc1oc(C(N)=O)cc1COc1ccccc1C(N)=O 342017 LHNKAKMIKQLNCA-UHFFFAOYSA-N 274.276 1.365 0 50 CDAA Cc1ccnc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 476778 PMLINJHIPCQABT-WDEREUQCSA-N 260.293 1.996 0 50 CDAA CCOC(=O)c1cnc2c(OC)cccc2c1NCCO 1777838 CIOWWUKOTWPXFO-UHFFFAOYSA-N 290.319 1.824 0 50 CDAA CNC(=O)C(=O)Nc1cccc(Br)c1 2494608 JHJOGPPJWKWODT-UHFFFAOYSA-N 257.087 1.134 0 50 CDAA COC(=O)c1c(C(=O)OC)c2ccccn2c1C(C)=O 2544909 RAJOKOQGPHWNBH-UHFFFAOYSA-N 275.260 1.715 0 50 CDAA CC(C)(CO)NC[C@H](O)COc1ccccc1Cl 2699722 CLOGYYNFRDLIGB-JTQLQIEISA-N 273.760 1.440 0 50 CDAA CC(=O)N1CCN(C(=S)c2ccc(N(C)C)cc2)CC1 4190064 SSDHMSVCFZRGKM-UHFFFAOYSA-N 291.420 1.592 0 50 CDAA O=C1CCC(CCC(=O)N2CCc3ccccc3CC2)=NN1 2356167266 VYBSDCSTENYCBK-UHFFFAOYSA-N 299.374 1.660 0 50 CDAA COc1nc(=Nc2cccc(-n3cccn3)c2)[nH]n1C 2356168498 GOTOOIYPYMQTPF-UHFFFAOYSA-N 270.296 1.175 0 50 CDAA CC1=C(C)C[C@H](C(=O)N2CCOCC2)[C@@H](C(=O)O)C1 6726503 SJWYJMJTBMPVLL-RYUDHWBXSA-N 267.325 1.292 0 50 CDAA COCc1cc(=O)n2nc(-c3ccccc3)cc2[nH]1 8671642 IXQWXPNAQWEXJU-UHFFFAOYSA-N 255.277 1.836 0 50 CDAA CC1(C)C(=O)[C@@]2(C(=O)N3CCOCC3)CC[C@H]1C2 100629114 FHFSQSQMZAGBOP-IINYFYTJSA-N 251.326 1.241 0 50 CDAA biogenic O=C(Nc1ccc(F)c(F)c1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 103985806 COLXNDHAGKHBDF-KKOKHZNYSA-N 297.257 1.782 0 50 CDAA COC[C@H](C)C(=O)N1CCC[C@H]1[C@H]1CCCN1C 248114211 IEMVWFOTKMOAIQ-XQQFMLRXSA-N 254.374 1.354 0 50 CDAA O[C@@H](COc1cccc(C2CC2)c1)CN1CCOCC1 424142610 VHSSVJYADVCGFM-OAHLLOKOSA-N 277.364 1.636 0 50 CDAA COCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O 347736943 LBOBDUAKIPSUJK-NFAWXSAZSA-N 269.385 1.955 0 50 CDAA CC(C)(C)OC(=O)NCCC(=O)Nc1nccs1 25966713 TWKDCIHEGAQKGH-UHFFFAOYSA-N 271.342 1.996 0 50 CDAA c1cncc(-c2n[nH]c(CCn3nnc4ccccc43)n2)c1 65494531 JSKALHSPFNZZMT-UHFFFAOYSA-N 291.318 1.854 0 50 CDAA COc1cc(C)ccc1OCCCN1CCNCC1 22942766 QTNVQNIDRYQQFJ-UHFFFAOYSA-N 264.369 1.678 0 50 CDAA COC(=O)c1ccc([C@H](C)N2CC[C@@H](C)[C@H](O)C2)o1 252485815 AMLHDQJIXRPLBT-OUAUKWLOSA-N 267.325 1.830 0 50 CDAA C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NCc1ccco1 252670913 MAUTVROELVZHPM-ZYHUDNBSSA-N 272.370 1.039 0 50 CDAA C[C@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@H]1c1ncc[nH]1 329367943 LDUZDJSXBMJPMY-XQQFMLRXSA-N 276.384 1.946 0 50 CDAA Cc1nc(N(C)C)nc(NC[C@@H](C)n2cncn2)c1C 65455625 YJBPRTVORVUFIP-SECBINFHSA-N 275.360 1.424 0 50 CDAA O=C1C[C@@H](c2ccc(-c3cc[nH]n3)o2)c2c[nH]nc2N1 67822110 AKDSYKRDRBIWEN-SSDOTTSWSA-N 269.264 1.867 0 50 CDAA C[C@@]1(CCC(=O)O)NC(=S)N(c2ccccc2)N1 33639 DRFMFHJHXWISLA-GFCCVEGCSA-N 265.338 1.467 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(Cc2ccc(F)cc2F)C1 34925777 HIELWKUFWOBERF-MRVPVSSYSA-N 255.220 1.398 0 50 CDAA Cc1cccc(O[C@H](C)C(=O)N2CCO[C@H]([C@H](C)O)C2)c1 331355565 QUMMANFZQAIMKX-GUTXKFCHSA-N 293.363 1.371 0 50 CDAA NC(=O)NC(=O)CCN1CCC[C@@H]1/C=C/c1ccccc1 253425910 ULNHNVOVNWBCEQ-MYSGNRETSA-N 287.363 1.749 0 50 CDAA COC(=O)CN1CCN(c2cccc(C)c2C)CC1 35800844 VWKBGTJWIBUFCG-UHFFFAOYSA-N 262.353 1.598 0 50 CDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)C1(CO)CC1 219697120 UVWKLKZDIQYEFW-OLZOCXBDSA-N 283.368 1.015 0 50 CDAA O=C(c1ccn(C(F)F)n1)N1CCO[C@H](C2CC2)C1 219956317 ZFSFSCZVRMEYMY-JTQLQIEISA-N 271.267 1.529 0 50 CDAA C[C@H]1CC[C@@H](CNC(=O)Cc2nc3ncccn3n2)C1 331500547 PVIOWHQTVXGKEU-WDEREUQCSA-N 273.340 1.219 0 50 CDAA Cc1cnn(C)c1S(=O)(=O)N[C@H](C1CCC1)C1CC1 333237849 ZLVNTSVZUBUUSQ-GFCCVEGCSA-N 283.397 1.586 0 50 CDAA COCc1nc(C)cc(N2CCC[C@H](C)[C@H]2CO)n1 521398542 NCGHIGJDQNWMMA-CMPLNLGQSA-N 265.357 1.529 0 50 CDAA Cc1ccc(N2CC[C@@](O)(CN3CCCCC3)C2)nn1 77541880 XYFGGKGWKDPHPK-OAHLLOKOSA-N 276.384 1.212 0 50 CDAA CC[C@@H](C)N(CC(=O)O)C(=O)[C@H]1CCN(CC(C)C)C1 237049670 PHSPFDMWKRSCIQ-OLZOCXBDSA-N 284.400 1.676 0 50 CDAA Cc1cnc(N2CC[C@@H](c3nccn3C)C2)nc1C 361205858 YZUWSOMRJWDAOH-GFCCVEGCSA-N 257.341 1.821 0 50 CDAA Cc1cccc(C(=O)N2CCN(c3cccnn3)CC2)n1 332326544 ARHXMEKRQAXLFH-UHFFFAOYSA-N 283.335 1.142 0 50 CDAA CCCO[C@H](C)C(=O)NCCn1cnc(C)c1C 219860645 RKUZFFDRBDGGKE-GFCCVEGCSA-N 253.346 1.431 0 50 CDAA CC(C)CN1CCN(C(=O)c2ccc(CO)o2)[C@H](C)C1=O 77516749 KDDYOWSZLQSPJH-LLVKDONJSA-N 294.351 1.101 0 50 CDAA O=C1N[C@H](C(=O)N2CCC[C@@H](C(F)(F)F)C2)CS1 173782559 CUOHJKJAJDDMJW-RQJHMYQMSA-N 282.287 1.612 0 50 CDAA COC[C@@H]1CCCCN(C(=O)Cc2cc(C)[nH]n2)C1 368775041 MTIDFTWPFLJJBI-GFCCVEGCSA-N 265.357 1.536 0 50 CDAA O=C(O)CN(C(=O)Cc1ccccc1F)C1CCOCC1 238100014 IWGDVZYAWUENPN-UHFFFAOYSA-N 295.310 1.460 0 50 CDAA CC(C)c1cncnc1NC[C@@H]1COCCN(C)C1 72144677 NRVWZSRZNCNULC-LBPRGKRZSA-N 264.373 1.590 0 50 CDAA CN(C)c1noc([C@H]2CCCN2C(=O)CC2CC2)n1 373571594 GLGBPUGTPHYOCS-SNVBAGLBSA-N 264.329 1.599 0 50 CDAA CCC(=O)N1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C 34614550 JEMOGQYNLSWGPL-GIPNMCIBSA-N 271.382 1.763 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N1CCNC(=O)[C@@H]1c1cccs1 374130803 OSEICHTXXBNSSH-FOGDFJRCSA-N 294.376 1.173 0 50 CDAA CCOC(=O)CCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 239352755 ADKWJLPWNCWVKV-ZFWWWQNUSA-N 280.412 1.888 0 50 CDAA CCN(Cc1cnn(C)c1)C(=O)c1cnn2ccn(C)c12 71551628 PDLXAPMWGKUEJB-UHFFFAOYSA-N 286.339 1.069 0 50 CDAA CN1C(=O)N(Cc2ccccc2)C(=O)C12CCNCC2 71612829 VASJLNYSHALIMB-UHFFFAOYSA-N 273.336 1.203 0 50 CDAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2c(C)cnn2C)C1 215742805 QXAYOBJERCKRGQ-CQSZACIVSA-N 292.427 1.809 0 50 CDAA CCn1c(C)nnc1N1CCC[C@H](CN2CCOCC2)C1 338618425 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1.782 0 50 CDAA investigational C[C@]12CNC[C@H]1CN(C(=O)c1ccc(-c3cn[nH]c3)cc1)C2 1646780535 BHABCTNIFAFTTG-DOTOQJQBSA-N 296.374 1.758 0 50 CDAA CN1CCN(CCOCCOc2cccc(Cl)c2)CC1 19792578 UVVRMGVWWCVFJS-UHFFFAOYSA-N 298.814 1.983 0 50 CDAA CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccnc1 19798488 ZJZDWFLRWJXMLK-FPCVCCKLSA-N 289.331 1.299 0 50 CDAA biogenic Cc1cccc(OCC(=O)O[C@@H](C)CN2CCOCC2)c1 19907428 PNBRIMFHLNFONF-AWEZNQCLSA-N 293.363 1.638 0 50 CDAA COCC(C)(C)C(=O)NC[C@H](O)c1ccccc1C 157378178 YIHWZCJYKHMCPB-ZDUSSCGKSA-N 265.353 1.817 0 50 CDAA Nc1cncc(N2CCC(O)(Cc3ccccc3)CC2)n1 1857680874 QHQJSNAKIKSBDF-UHFFFAOYSA-N 284.363 1.633 0 50 CDAA Cn1cccc1C(=O)N(CCC(=O)O)C[C@H]1CCCO1 408513321 QWYYGKIDMUCDII-LLVKDONJSA-N 280.324 1.121 0 50 CDAA COc1ccc(C(=O)NC2(C)Cc3ccccc3C2)nn1 120769414 FQBIAAWPVHZXDE-UHFFFAOYSA-N 283.331 1.773 0 50 CDAA O=C(N=c1ccn([C@@H]2CCNC2)[nH]1)[C@@H]1C[C@H]1c1ccccc1 328625645 KWSWOETZZGWMKV-QLFBSQMISA-N 296.374 1.582 0 50 CDAA NC(=O)c1cnn(CC(=O)Nc2ccc(F)c(Cl)c2)c1 531493169 SUNLKPHJHKSYRH-UHFFFAOYSA-N 296.689 1.413 0 50 CDAA CCNS(=O)(=O)c1cc(OC)c(C)cc1OC 6746465 UXHBTCUJNNIYIA-UHFFFAOYSA-N 259.327 1.310 0 50 CDAA O=C([C@H]1CCNC1)N1CCO[C@@H](c2ccccc2Cl)C1 237654770 BRBINUWXPCBFQH-SMDDNHRTSA-N 294.782 1.849 0 50 CDAA Cn1nccc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 334369691 UYIOPVBCACUOMT-NSHDSACASA-N 299.378 1.652 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)COCCc2ccccc2)C1 237949718 FMYWETMOOSRPIA-CYBMUJFWSA-N 277.320 1.179 0 50 CDAA C[C@@H](O)CCN(C)C(=O)c1ccc2c(c1)SCC(=O)N2 368231482 LNJIBJRYXSKPQF-SECBINFHSA-N 294.376 1.574 0 50 CDAA COc1cc(C(=O)O)ccc1CCNC(=O)[C@@H]1CCOC1 263353105 QNIBKDBWLZRWJU-GFCCVEGCSA-N 293.319 1.089 0 50 CDAA C[C@@H](NCC1(O)CCC2(CC1)OCCO2)c1ccccn1 903375581 VOLAXXGBKZRFSD-CYBMUJFWSA-N 292.379 1.780 0 50 CDAA Cc1ccc(C(=O)N(CCc2ccccc2)CC(=O)O)nn1 909515022 IDLXZBWARJYKHJ-UHFFFAOYSA-N 299.330 1.555 0 50 CDAA C=CC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)OC 1120552415 ACABZLSQWMPTIC-AAEUAGOBSA-N 261.321 1.709 0 50 CDAA O=C(O)CNC(=O)Nc1cccc(OC(F)F)c1 225565749 JTYWENCQFFVXJK-UHFFFAOYSA-N 260.196 1.494 0 50 CDAA C[C@H]1Cc2ccccc2N1C(=O)C[C@H]1COCCN1 128829788 GDVFNIIRGXBQLY-AAEUAGOBSA-N 260.337 1.343 0 50 CDAA O=C(c1ccc2[nH]ncc2c1)N1CC[C@@]2(CCOC2)C1 154499768 GGMOUXCNTUFGGV-OAHLLOKOSA-N 271.320 1.816 0 50 CDAA C[C@H]1CN(C(=O)Cc2ccc(C(=O)O)cc2)CCCO1 263551879 WVXHYWBCGBZING-NSHDSACASA-N 277.320 1.565 0 50 CDAA CSCCCC(=O)N(C[C@@H]1CCCN1)C1CC1 186503437 CDUKMTZAZSBHCQ-NSHDSACASA-N 256.415 1.873 0 50 CDAA O[C@H]1CN(c2cc(N3CCCCC3)ncn2)CC12CC2 373598750 VGXNJULXDSXWCO-LBPRGKRZSA-N 274.368 1.428 0 50 CDAA CC[C@@H](CNCc1cc(C(=O)O)nn1C)C1CCOCC1 2325783678 SWWCTHRBTTUUNQ-NSHDSACASA-N 295.383 1.661 0 50 CDAA COCCC1CC(NC(=O)NC23CC(C)(C2)O[C@H]3C)C1 2325828863 UDWRBGBREXZXCH-CMGCRTJDSA-N 282.384 1.811 0 50 CDAA CN1CCN(CCn2cccn2)Cc2cccnc21 872318784 QEEMKTRYMJMFRD-UHFFFAOYSA-N 257.341 1.230 0 50 CDAA C[C@@H](O)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1 2332918481 OXCUZVSTMRVDQX-RKDXNWHRSA-N 254.282 1.343 0 50 CDAA O=C(O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 289464 KOVZEKMVDOCSHP-VIFPVBQESA-N 275.260 1.160 0 50 CDAA COC(=O)c1cc(C)sc1NC(=O)CCC(=O)O 355479 VKZLKOGYCCKKBB-UHFFFAOYSA-N 271.294 1.646 0 50 CDAA COc1c(F)c(F)c(C[C@@H](O)CO)c(F)c1F 406742 HKIKPCCUNJPOSK-SCSAIBSYSA-N 254.179 1.147 0 50 CDAA C[C@@H](NC(=O)C(=S)N1CCOCC1)c1ccccc1 1060037 XOKLMTPFUASDED-LLVKDONJSA-N 278.377 1.523 0 50 CDAA Nc1nc(CSCCO)nc(Nc2ccc(F)cc2)n1 2201090 AQBMMNVZMYAJGH-UHFFFAOYSA-N 295.343 1.562 0 50 CDAA C=COCCNC(=O)C(=O)Nc1ccccc1OCC 2906362 QCODHAUMDQDMNI-UHFFFAOYSA-N 278.308 1.300 0 50 CDAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N2CCC[C@H]32)nn1C 2356160377 PMWCSLQKZVLLHC-GXSJLCMTSA-N 286.339 1.225 0 50 CDAA CCCCCCN1C[C@@H](C(=O)OCC)C(=O)C1=O 4593842 VHTMDZTUJJYIFB-SNVBAGLBSA-N 255.314 1.157 0 50 CDAA COc1ccccc1CC(=O)N[C@@H](C)[C@@H]1CCCO1 6741856 FRRPZORTMLYJKU-AAEUAGOBSA-N 263.337 1.921 0 50 CDAA CCNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 6763432 PHOKXAUOZZNRJI-UHFFFAOYSA-N 290.392 1.791 0 50 CDAA COc1ccc(C)cc1[C@@H](C(=O)O)N(C)CCCO 55134198 DQGBPMNPJHOUBX-ZDUSSCGKSA-N 267.325 1.444 0 50 CDAA COC(=O)CSc1nc2ccc(OC)cc2[nH]1 8759752 CFXGPYDEKJSHHL-UHFFFAOYSA-N 252.295 1.837 0 50 CDAA CCCCNC(=O)c1cc2c([nH]c1=O)CCCC2=O 29514319 YIWMSKKXBOPQGU-UHFFFAOYSA-N 262.309 1.424 0 50 CDAA CN(C)c1cc(C(=O)N2CCC[C@@H]2CN)c2ccccc2n1 422877298 HMWHTXWZMYGSPD-GFCCVEGCSA-N 298.390 1.864 0 50 CDAA O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)[C@H]1C[C@H]1C(=O)O 249639678 XPWDNTSLHAZWRY-RFQIPJPRSA-N 289.331 1.744 0 50 CDAA CCOCCN1CCC=C([C@H](C)N(C)C(C)=O)C1 65460099 HZEWZJSMXZJECA-LBPRGKRZSA-N 254.374 1.522 0 50 CDAA Cc1cc(=O)[nH]c(CCN[C@H](C)COc2ccccc2)n1 67712997 MJAVKEINTLDLJI-CYBMUJFWSA-N 287.363 1.678 0 50 CDAA O=C(Nc1nc[nH]n1)C(C(F)(F)F)C(F)(F)F 22589596 OOYVOYAWBDJDKO-UHFFFAOYSA-N 262.113 1.484 0 50 CDAA CC(C)n1nccc1C(=O)Nc1ccc(-n2cncn2)cn1 252485069 GNFYOPZGMRSGIF-UHFFFAOYSA-N 297.322 1.692 0 50 CDAA CC(C)OC[C@H]1CN(C(=O)c2ncccc2O)CCO1 370444859 OYDPSRKXDJTFMB-LLVKDONJSA-N 280.324 1.053 0 50 CDAA CCO[C@H](C)C(=O)N=c1cc(C)n([C@H](C)CC)[nH]1 330689562 PODPQBGEGKBIMV-MWLCHTKSSA-N 253.346 1.948 0 50 CDAA Cc1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c(=O)[nH]1 229629991 LALSFUNMHQMMEF-DGCLKSJQSA-N 291.395 1.534 0 50 CDAA COC[C@@H]1CN(C(=O)c2ccc(C)n2C)CC(C)(C)O1 285466648 KQAMSAVRYVPJGC-LBPRGKRZSA-N 280.368 1.600 0 50 CDAA C[C@H]1CN(S(=O)(=O)CC(C)(C)C)C[C@@]2(CCOC2)O1 253431956 IJYCPEHPWZPVCK-WCQYABFASA-N 291.413 1.242 0 50 CDAA Cc1noc(CCNC(=O)C2CCC(F)(F)CC2)n1 121591112 MEMXSPCETVJIKI-UHFFFAOYSA-N 273.283 1.862 0 50 CDAA Cc1ocnc1C(=O)Nc1cccc(-n2nnnc2C)c1 128168324 VKNBRJFFJUUCMD-UHFFFAOYSA-N 284.279 1.519 0 50 CDAA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(=O)[nH]n1 30952938 DJCMOZIRPICXSK-UHFFFAOYSA-N 273.336 1.324 0 50 CDAA COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1C 258683187 LBPVYOABHKVSNN-GHMZBOCLSA-N 263.293 1.341 0 50 CDAA Cc1cc(C)n(CCN(C)c2ncnc3[nH]cnc23)n1 32573439 FQRJJKPUNNORLC-UHFFFAOYSA-N 271.328 1.303 0 50 CDAA CCc1cccc(C)c1N1C(=O)[C@@H]2CN=C(O)CN2C1=O 328595613 ZDIZOBRYAKYCIX-NSHDSACASA-N 287.319 1.665 0 50 CDAA CC[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccnn1C 219577705 IIJBDJANBPBLLE-JTQLQIEISA-N 284.323 1.573 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 328628680 HMHVWZPREPOTDJ-CQSZACIVSA-N 277.368 1.198 0 50 CDAA Cc1ccc(CCN2CC[C@](C)(NCC(=O)O)C2)cc1 435676219 QXZFLUGLORHQKF-INIZCTEOSA-N 276.380 1.676 0 50 CDAA Cc1nc(CN2CCOC[C@H]2c2ncnn2C)cs1 284809181 PCPVBEGCEZBOIZ-NSHDSACASA-N 279.369 1.154 0 50 CDAA COc1ccnc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)c1 331857225 FJBSPCCUIZIEDL-BZUAXINKSA-N 292.379 1.452 0 50 CDAA CC(C)CCN1C[C@@H](C(=O)NC[C@H]2CCCO2)CC1=O 32497077 KGHRPMWTZWSRIF-QWHCGFSZSA-N 282.384 1.176 0 50 CDAA CC(=O)c1c(C)[nH]c(C(=O)N2CC(n3ccnn3)C2)c1C 371560019 BYNOHTREUXXCAG-UHFFFAOYSA-N 287.323 1.123 0 50 CDAA Cn1ccnc1[C@@H](O)CNc1nccc(C(F)(F)F)n1 32573270 OVIZXLWPGNQTKH-ZETCQYMHSA-N 287.245 1.374 0 50 CDAA COC1(C(=O)N2CCC[C@H](Cn3ccnn3)C2)CCC1 376266179 NUKYQCITEVXLRX-LBPRGKRZSA-N 278.356 1.086 0 50 CDAA Cn1cc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)cn1 262821808 FCYGNFFZNWTRRM-KBPBESRZSA-N 299.330 1.361 0 50 CDAA Cc1nsc(C)c1C(=O)N1C[C@@H](O)C[C@@H](C)C1 335197041 RCODSYGZZSJNRA-XCBNKYQSSA-N 254.355 1.603 0 50 CDAA CCCc1nc(C)c(CNC(=O)C[C@@H]2COCCN2)s1 72167126 YCVSBTIEBULDNM-LLVKDONJSA-N 297.424 1.399 0 50 CDAA C[C@H](c1ccccn1)N(C)Cc1c[nH]nc1C(=O)O 71774494 ISJMJAAHKJDXSE-SECBINFHSA-N 260.297 1.696 0 50 CDAA C[C@@H](Cn1cncn1)NC(=O)CCOc1ccccc1 221173078 GMQVDBNTGBDZJL-LBPRGKRZSA-N 274.324 1.252 0 50 CDAA CCCC[C@H](C)C(=O)NC[C@@H]1CCCS1(=O)=O 337117139 ZSHJTGKMYFJESR-QWRGUYRKSA-N 261.387 1.506 0 50 CDAA C[C@H](CNC(=O)CCc1cccnc1)Oc1cccnc1 220605266 CNNZKGKXYIMQEE-CYBMUJFWSA-N 285.347 1.993 0 50 CDAA COC(=O)C(CC[C@]1(C)[C@@H](O)C=CC[C@@H]1C)C(=O)OC 43762576 RNKFNJAXMMOQOM-WBIUFABUSA-N 284.352 1.692 0 50 CDAA O=C(CCNC(=O)Nc1ccncc1)NCc1ccccc1 133840045 FNRDAXMMPJLSHC-UHFFFAOYSA-N 298.346 1.910 0 50 CDAA O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCOCC1 178059845 IYJUHDPPGAWYSY-UHFFFAOYSA-N 295.360 1.382 0 50 CDAA Cc1nc(CCCC(=O)N2CCO[C@@H](C(=O)O)C2)cs1 178279604 RIMLTIKOXQKLHV-LLVKDONJSA-N 298.364 1.086 0 50 CDAA C[C@H](C(=O)N1CCC(c2ncon2)CC1)N1CCCCC1 426734591 YVJRPYUVFHTOBQ-GFCCVEGCSA-N 292.383 1.650 0 50 CDAA Cc1nccnc1CCNc1cc(N2CCCC2)ncn1 292894409 WFXPXGCDXMDRQV-UHFFFAOYSA-N 284.367 1.830 0 50 CDAA CC1(C)C[C@H]1C(=O)NCC(C)(C)N1CCOCC1 134201688 WRKHYRKUTSCCLW-NSHDSACASA-N 254.374 1.260 0 50 CDAA CNC[C@@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1 179017687 QMQSZZOCLQXWSE-XJKSGUPXSA-N 288.391 1.758 0 50 CDAA Cc1ccccc1[C@H](O)CNC(=O)[C@@H](N)CC(C)C 236694923 JHHWKBFXRVOILL-UONOGXRCSA-N 264.369 1.518 0 50 CDAA Cc1nc(Cn2cnc3ccccc32)n(CC(=O)O)n1 96149420 LYILHFLWHQHNDO-UHFFFAOYSA-N 271.280 1.069 0 50 CDAA CC[C@@]12O[C@H]3[C@H]4C[C@@H]([C@H](C(=O)N1C1CCCCC1)[C@@H]42)[C@H]3O 238899569 GRQDDABCUCEXTL-NLCRBZRQSA-N 291.391 1.909 0 50 CDAA O=C(C[C@@H]1CCc2ccccc21)NCCN1CCCC1=O 91621083 TZEPJJPLBRFTQG-AWEZNQCLSA-N 286.375 1.845 0 50 CDAA Cc1cc(-c2cnc3ncnn3c2[C@@H]2CCCNC2)on1 95629434 WZRDXKDISPFCFD-SNVBAGLBSA-N 284.323 1.555 0 50 CDAA C[C@@H](c1ncnn1CCO)N(C)C1CCCCC1 91965386 QSPLLURONKITMM-NSHDSACASA-N 252.362 1.596 0 50 CDAA CCn1nc([C@H]2CCOC2)nc1Cn1nc2ccccc2n1 96150950 VZZQNEXCEDSOCS-NSHDSACASA-N 298.350 1.595 0 50 CDAA CCc1nc(CNC(=O)c2ccc(C)c(O)c2)n[nH]1 295749414 UMIICESXYGUZCQ-UHFFFAOYSA-N 260.297 1.311 0 50 CDAA NC(=O)c1ccnc(-c2scc3c2OCCO3)c1 96148594 GNULMPVNESSJLP-UHFFFAOYSA-N 262.290 1.680 0 50 CDAA Cc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H]5[C@H](O[C@@H]2[C@H]53)[C@@H]4O)c1 238937060 SZQNSYJCPDVHES-LFCJOEBUSA-N 271.316 1.310 0 50 CDAA Cn1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H]2C[C@H](O)C2)n1 243893426 ARBQAISOIJIDIO-DZKIICNBSA-N 299.374 1.532 0 50 CDAA CC[C@H](C(=O)NCCCn1nc(C)nc1C)n1cccn1 244884054 YEIUBNBFBTYRFA-CYBMUJFWSA-N 290.371 1.249 0 50 CDAA C[C@](O)(CC(=O)N1CC[C@H](n2cccn2)C1)c1ccccc1 298216792 FGWJCRYWPRLGMQ-RDJZCZTQSA-N 299.374 1.954 0 50 CDAA Cc1c[nH]c(CN(C)C(=O)[C@@H](C)n2nc(C)cc2C)n1 252480448 CALBRGLOOVGDRG-GFCCVEGCSA-N 275.356 1.751 0 50 CDAA N[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2CN2CCCCC2)C1 299739484 OXUJBQKWCJCSCJ-KFWWJZLASA-N 279.428 1.591 0 50 CDAA C[C@@H](CO)NC(=O)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 253411942 PJVRXPXZTDOCCZ-VIFPVBQESA-N 287.319 1.122 0 50 CDAA CN(C)c1ccnc(-c2ccc(C(=O)N3CC(O)C3)cc2)n1 534667892 CEYAXGXDHMKYQG-UHFFFAOYSA-N 298.346 1.026 0 50 CDAA CCOCC(C)(C)NC(=O)c1cc(C)nc(C)n1 355089829 FHGFLMMBVHBVQY-UHFFFAOYSA-N 251.330 1.638 0 50 CDAA O=C(COC[C@@H]1CCCCO1)Nc1ccnc(O)c1 1940197736 MNPKRBFRGLYQBN-NSHDSACASA-N 266.297 1.311 0 50 CDAA CN1CCC[C@H](C(=O)Nc2ncc(F)cc2F)C1 1940198475 YMPYCHRTAMMVIA-QMMMGPOBSA-N 255.268 1.640 0 50 CDAA CCn1cc(NC(=O)N(C)CCCc2cnn(C)c2)nn1 299762211 MCWIBWNIKHAYAM-UHFFFAOYSA-N 291.359 1.128 0 50 CDAA CC(C)c1nc(CNC(=O)CCCn2cnnn2)cs1 299765736 CKZPPYRXQPMNNB-UHFFFAOYSA-N 294.384 1.350 0 50 CDAA CN(CC(=O)NC1(C(=O)O)CCCC1)Cc1ccccn1 299757891 CXJSLOGCWSKGQB-UHFFFAOYSA-N 291.351 1.027 0 50 CDAA CCc1nn(C)c2c(=O)n(C[C@H]3CCCCN3C)cnc12 584893677 PHYGZVBUASFTQF-LLVKDONJSA-N 289.383 1.177 0 50 CDAA Cc1cc(O)nc(CCNC(=O)c2oc(C)nc2C)n1 584893257 OGOYHZYEBNYWGO-UHFFFAOYSA-N 276.296 1.068 0 50 CDAA CCCOC[C@H]1CCN(c2nccc(OC)n2)C1 670443421 YCCZZQVHPFTUQV-NSHDSACASA-N 251.330 1.738 0 50 CDAA Cc1nc(-c2ccc(N3CCCC3=O)cc2)n(CCO)n1 670458271 DHWUCRVSMHJSIT-UHFFFAOYSA-N 286.335 1.373 0 50 CDAA Cc1ncnc(N2CCN(Cc3cc[nH]n3)CC2)c1C 670438311 ITLFNLUKLGPJDZ-UHFFFAOYSA-N 272.356 1.139 0 50 CDAA Cn1cnc(CNCc2ccc(Br)nc2)c1 685948991 ZWDMVVLTIMDHAE-UHFFFAOYSA-N 281.157 1.867 0 50 CDAA Nc1nc2ccccc2cc1C(=O)N1CCC(O)CC1 1161186816 LOSRZRGMBYSSPW-UHFFFAOYSA-N 271.320 1.414 0 50 CDAA CC1CCC(OCC(=O)N[C@H](C)[C@H](C)C(=O)O)CC1 877870953 JDYPRRWRVXITQW-LVFLEHKBSA-N 271.357 1.807 0 50 CDAA CCOc1ccc2c(c1)[C@@H](NC(=O)C1(CO)CC1)CCO2 1875274909 JJURJZKOINWSBU-ZDUSSCGKSA-N 291.347 1.798 0 50 CDAA O=C(Cc1cn[nH]c1)N1CCC[C@H]1c1cccnc1 1875281126 QCIKNFMJLCHCFD-ZDUSSCGKSA-N 256.309 1.711 0 50 CDAA Cc1cc(NC(=O)C[C@H]2OB(O)c3ccccc32)ccc1O 1875380632 UNYXWLZUURCOMK-OAHLLOKOSA-N 297.119 1.488 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCOCC34CC4)n[nH]c21 1875395178 PPXJIOXPQSRFQV-ZJUUUORDSA-N 291.351 1.437 0 50 CDAA Cc1cccc(-c2cncc(C(=O)NS(C)(=O)=O)c2)c1 1875390980 ZTVRKGIJWFFIKZ-UHFFFAOYSA-N 290.344 1.746 0 50 CDAA COCCC(=O)Nc1ccc(OC)c2nonc12 952972874 UYYWZDJIJQSIHO-UHFFFAOYSA-N 251.242 1.206 0 50 CDAA Cc1nc2c([nH]1)CC[C@@H](C(=O)NCCc1ccc[nH]1)C2 165420721 CEPYLILORMGJOD-LLVKDONJSA-N 272.352 1.510 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccon2)C1 888102986 YFSQGELZCLTETH-OLZOCXBDSA-N 276.340 1.977 0 50 CDAA CCC[C@H](C)C(=O)N1CC(c2cc(CO)on2)C1 886086727 ZIKLXKUQQNBHMW-VIFPVBQESA-N 252.314 1.529 0 50 CDAA CN1CCN(c2nc3cccc(F)c3o2)C[C@@H]1CO 894880807 GISMHADTNIVNCU-SECBINFHSA-N 265.288 1.080 0 50 CDAA CCC1=NO[C@H](CN2CCC(c3nncn3C)CC2)C1 244840353 ULIWMYYMKFDXGL-ZDUSSCGKSA-N 277.372 1.549 0 50 CDAA O[C@H]1C[C@H](Nc2nc(C(F)(F)F)cs2)CC[C@H]1O 896971387 QXWGNZVICPNPHC-QYNIQEEDSA-N 282.287 1.848 0 50 CDAA OCc1ccc(F)c(CN[C@]23CCC[C@@H]2NCC3)c1 1775961384 XDHKMNOOFRAIGJ-GJZGRUSLSA-N 264.344 1.692 0 50 CDAA N[C@H]1CN(Cc2cn3cccc(F)c3n2)CC12CCC2 1775962292 DAYMNYKCKYBYFG-ZDUSSCGKSA-N 274.343 1.787 0 50 CDAA COC(=O)c1cc(C=O)c(Br)cc1O 1535640491 NJDWAEAOFYHXTP-UHFFFAOYSA-N 259.055 1.754 0 50 CDAA O=C(O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 1565509912 MNZCXWNQDFASKI-KBPBESRZSA-N 294.395 1.574 0 50 CDAA Cc1cc(CCNC(=O)[C@@]23CCCC[C@@H]2NCC3)nn1C 1579593306 ZLPLXLOIPKLLGP-GOEBONIOSA-N 290.411 1.310 0 50 CDAA O=C(NC[C@H]1[C@H]2c3ccccc3C[C@H]21)c1cncnc1 273873934 WPNYDMMWIYBSSA-ZNMIVQPWSA-N 265.316 1.792 0 50 CDAA CCOc1ccc(C(=O)CC(=O)C(=O)OC)cc1 100006289 PFPBZQIEMJJXBN-UHFFFAOYSA-N 250.250 1.400 0 50 CDAA in-vitro CO[C@H]1CCN(C(=O)c2ccc(C(C)=O)cc2)[C@@H](CN)C1 170073182 DULVJIWDSMQPJX-CABCVRRESA-N 290.363 1.468 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CO[C@H](C)C2)cc1 408488359 NKQVPDAHPLOYBF-MNOVXSKESA-N 283.349 1.225 0 50 CDAA Cc1nsc(N2CCCC[C@H]2CS(C)(=O)=O)n1 408519606 CYLFTBUKTBTLSC-VIFPVBQESA-N 275.399 1.250 0 50 CDAA Cc1csc(C(C)(C)NC(=O)[C@H]2COCCO2)n1 172273269 MFSAVFVILAWVBC-SECBINFHSA-N 270.354 1.218 0 50 CDAA NC(=O)c1ccc(Cn2c(Cl)cccc2=O)cc1 225471251 FSCSICLZFNCMAO-UHFFFAOYSA-N 262.696 1.649 0 50 CDAA OCC1(c2ccccc2)CN(Cc2ccccn2)C1 414555986 XWIDQPUYSKBGOC-UHFFFAOYSA-N 254.333 1.828 0 50 CDAA O=C(c1coc(-c2ccccc2)n1)N1CCC[C@H]1CO 188322088 OCNJKFUSZZINHW-LBPRGKRZSA-N 272.304 1.939 0 50 CDAA Cc1n[nH]nc1C(=O)NCCc1csc(C(C)C)n1 188857143 NJMBGEUSKOMDKJ-UHFFFAOYSA-N 279.369 1.666 0 50 CDAA COc1ccc(CCS(=O)(=O)[C@H]2CCO[C@H]2C)cc1 191056965 CHXBCBXCDFZJPU-FZMZJTMJSA-N 284.377 1.830 0 50 CDAA NC(=O)C[C@]1(O)CCCN(CC/C=C/c2ccccc2)C1 643807814 BJSPVSFOMCLWED-MDGVGCGJSA-N 288.391 1.792 0 50 CDAA CN1CCC[C@@]2(CCN(c3ccncc3C(N)=O)C2)C1 558948955 CJHJJBUNAZAHBT-OAHLLOKOSA-N 274.368 1.103 0 50 CDAA CCOC1(CNC(=O)c2coc(COC)n2)CCCC1 562882925 JJLZRDNCWMOKDG-UHFFFAOYSA-N 282.340 1.900 0 50 CDAA C[C@H]1CN(c2ncnc3n[nH]cc23)CC2(CCC2)O1 564325846 VETQERQEPVKSAX-VIFPVBQESA-N 259.313 1.501 0 50 CDAA CCOCc1nnc(NCc2cnn3c2CCC3)o1 656773474 ZXXHJKXCJBTVMC-UHFFFAOYSA-N 263.301 1.361 0 50 CDAA Cc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)o1 672250840 SOMXFARZKHFGOW-SECBINFHSA-N 279.300 1.462 0 50 CDAA COc1ccccc1/C=C/CNCCN(C)OC 585118428 OORBTHRUMIPJJZ-SOFGYWHQSA-N 250.342 1.791 0 50 CDAA c1nc([C@@H]2CCCN2CCCN2CCCCC2)n[nH]1 585133543 LNGXDYFZWOLCFS-ZDUSSCGKSA-N 263.389 1.818 0 50 CDAA CCn1cc(CC(=O)N2CC[C@@]3(CCCOC3)C2)cn1 791359160 XODXMNUMGAEWCH-HNNXBMFYSA-N 277.368 1.475 0 50 CDAA CSCCC(=O)N(Cc1cnn(C)c1)C(C)C 1506417814 BTQHDEXRBFXCGT-UHFFFAOYSA-N 255.387 1.910 0 50 CDAA CN1CCC(N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1529191238 VKJNEVFTAILCOD-GDBMZVCRSA-N 275.396 1.323 0 50 CDAA Cn1nc(CO)c2c1CCN(C(=O)OC(C)(C)C)C2 218611126 YJZNSRVOJMBRAE-UHFFFAOYSA-N 267.329 1.206 0 50 CDAA CS(C)(=O)=NC(=O)c1ccnn1CC(F)F 913641665 DLULVTMVMBITEX-UHFFFAOYSA-N 251.258 1.016 0 50 CDAA CCc1nnc(CN2C[C@H](COC)OC(C)(C)C2)o1 330554902 YWHBGGFGLXLSPA-SNVBAGLBSA-N 269.345 1.258 0 50 CDAA O=C([C@@H]1CSCN1C(=O)[C@H]1CC12CC2)N1CCCC1 334998388 SUIPLQBPKDVGHZ-MNOVXSKESA-N 280.393 1.310 0 50 CDAA COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCNC1 22013891 HKYHGXQKYQHGFW-ZJUUUORDSA-N 272.345 1.052 0 50 CDAA in-vitro Cc1c(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)ccn1C 1704280448 MHZSYQGGODTTPI-GDBMZVCRSA-N 299.374 1.716 0 50 CDAA O=C(N[C@H](C(=O)O)C(F)(F)F)OCc1ccccc1 34488330 JBNIYYRTJUAMKZ-MRVPVSSYSA-N 277.198 1.928 0 50 CDAA in-vitro Cc1cnc2c(cnn2CC(=O)N[C@@H]2C[C@H](N)C23CCC3)c1 1615553666 IJKXVWSUXMZODF-QWHCGFSZSA-N 299.378 1.126 0 50 CDAA CCCc1ccc(NS(=O)(=O)c2cnn(C)n2)cc1 1615571728 OJPRPNZEHXRQGA-UHFFFAOYSA-N 280.353 1.568 0 50 CDAA NC(=O)c1cc(Oc2ccc3c[nH]nc3c2)ncn1 1642373890 KXSXGICLPADLCK-UHFFFAOYSA-N 255.237 1.244 0 50 CDAA COc1ccc(/C=C/CN2CCC([C@@H](O)CO)CC2)cc1 1772813790 UDTMNNFYWJFAKF-YATRRXNKSA-N 291.391 1.774 0 50 CDAA COc1nc(NC[C@H](CO)Cc2ccco2)ncc1F 1772708114 BLMGJTZEZDORNM-SECBINFHSA-N 281.287 1.480 0 50 CDAA CC[C@@H](CO)NS(=O)(=O)c1cc(C)ccc1OC 11566149 WFSSNTJEMBDLHI-JTQLQIEISA-N 273.354 1.053 0 50 CDAA Cc1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1 5740293 BABXXQCWMQTFPJ-UHFFFAOYSA-N 274.349 1.924 0 50 CDAA C[C@H](NC(=O)CSc1nncn1C)c1ccccc1 5126733 DGQPPDOJSKLOPA-JTQLQIEISA-N 276.365 1.785 0 50 CDAA COC(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 5719973 WKZFKTLGWXQXIK-UHFFFAOYSA-N 298.298 1.824 0 50 CDAA O=C1O[C@@H]2CN(c3ncccn3)C[C@@H]2N1C1CCCC1 11879200 DPEZEOGLWHSAMU-NWDGAFQWSA-N 274.324 1.429 0 50 CDAA O=c1[nH]cc(Br)cc1I 14400899 WAUPPDAXWKLNNU-UHFFFAOYSA-N 299.893 1.742 0 50 CDAA in-vitro CCCNc1ccc2nonc2c1S(=O)(=O)NCCC 16606929 YRLYXEGWGWAJHI-UHFFFAOYSA-N 298.368 1.733 0 50 CDAA CCCS(=O)(=O)c1ccccc1C(=O)N1CCOCC1 16650422 RAVXQDVRESSHCK-UHFFFAOYSA-N 297.376 1.343 0 50 CDAA Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1 169743144 SZFJMUMEEUJMIF-UHFFFAOYSA-N 297.195 1.789 0 50 CDAA CCc1nc(C(=O)N2CC[C@]3(C(=O)O)CCC[C@H]23)co1 1550917822 AXWOEVCKWHHJRM-IINYFYTJSA-N 278.308 1.706 0 50 CDAA Cc1cc(C)nc(Cn2ccnc2-c2cc[nH]c(=N)c2)n1 1857683551 JENALRNAWRTQFD-UHFFFAOYSA-N 280.335 1.813 0 50 CDAA CN1Cc2ccccc2C[C@H]1CNC(=O)c1ccns1 1857682735 MIUBJPGRKWRNKH-ZDUSSCGKSA-N 287.388 1.930 0 50 CDAA CN(C[C@H]1CCCN1C)C(=O)c1ccc2c(c1)OCO2 421704497 OSIDPDHUCCDIOM-GFCCVEGCSA-N 276.336 1.582 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)O)c(C)c1 3886851 WOOZXNKLFHMTLX-LBPRGKRZSA-N 297.376 1.850 0 50 CDAA in-vitro CC(C)n1cc(NC(=O)c2n[nH]c3ccccc23)nn1 1875246027 XQMGKHKHVJWRMO-UHFFFAOYSA-N 270.296 1.988 0 50 CDAA c1cncc(-c2noc([C@]34CCC[C@H]3CNC4)n2)c1 407986764 HWURVGXFVUYJTH-FZMZJTMJSA-N 256.309 1.773 0 50 CDAA O=S(=O)(c1ncc[nH]1)N1CCC[C@H]1CN1CCCCC1 631895894 ZREXHSSSZDYFDR-LBPRGKRZSA-N 298.412 1.049 0 50 CDAA O=C1C[C@@H](CNC(=O)NCC2CCCCCC2)CN1 334127536 QOZBIRZXYNAJEB-GFCCVEGCSA-N 267.373 1.392 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)[C@H]1Cc2cccc(F)c2O1 238075826 DQETUGMMPGBICZ-GHMZBOCLSA-N 279.267 1.205 0 50 CDAA C[C@H]1C[C@H](Nc2ccn(CCC(N)=O)n2)CC[C@H]1C 134812202 RFWUWVXZBDGAHS-GRYCIOLGSA-N 264.373 1.995 0 50 CDAA Cc1nc2c([nH]1)CC[C@H](C(=O)NCCOC1CCCC1)C2 162420140 KWDIHNDIVHTOIU-LBPRGKRZSA-N 291.395 1.898 0 50 CDAA Cc1cc(CN2CC[C@H](C(=O)O)[C@H](O)C2)cc(C)c1F 1704336298 LGFKCUQPDDMLPH-QWHCGFSZSA-N 281.327 1.710 0 50 CDAA Cc1noc(C[C@@H]2CCCN(S(=O)(=O)C3(C)CC3)C2)n1 907498006 LOHFTOFFXAYKAS-NSHDSACASA-N 299.396 1.515 0 50 CDAA COC(C)(C)CC(=O)N[C@H]1CCOC2(CC(C(=O)O)C2)C1 910616683 XEVVRTFFROKCBJ-VTWZXRTESA-N 299.367 1.330 0 50 CDAA Cc1cc(NCc2cc(O[C@@H]3CCNC3)ccn2)nc(C)n1 818626580 BWUQNVBJSOKSLE-OAHLLOKOSA-N 299.378 1.841 0 50 CDAA O=C1Nc2ccc(Br)cc2CC[C@@H]1O 1857783054 LNGBCFLMWJJIKL-VIFPVBQESA-N 256.099 1.695 0 50 CDAA O=C(O)C1CCC(N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 100619278 AEBPZIDTVZFESD-CAODYFQJSA-N 279.336 1.805 0 50 CDAA CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@@H](C(=O)O)C1 224566491 HHIJGVWAUSYIDM-UPJWGTAASA-N 283.368 1.905 0 50 CDAA CNC[C@@H]1CCCN1C(=O)Cc1cccc(F)c1F 122626395 WJVGWWGADXSPDU-NSHDSACASA-N 268.307 1.718 0 50 CDAA Cc1nnsc1CN(C)C(=O)c1c(O)cccc1O 67742304 SMHXTGZFRJZDFC-UHFFFAOYSA-N 279.321 1.530 0 50 CDAA CC(C)(CN1CCCCC1)NC(=O)c1csc(N)n1 308664063 CUEQUQWJYGQFOL-UHFFFAOYSA-N 282.413 1.720 0 50 CDAA Cc1ccc(N2C(=O)C[C@H](Sc3nnc[nH]3)C2=O)cc1 100086266 SAPBJHBAACSRFO-JTQLQIEISA-N 288.332 1.537 0 50 CDAA COc1cc(CSc2nnc(CN)n2C)cc(OC)c1 426380728 UGQRLNGWKQSXFQ-UHFFFAOYSA-N 294.380 1.583 0 50 CDAA COc1cc(OC)nc(-c2ccc(C(=O)O)s2)n1 534584136 CGMNLZUGKBJXQF-UHFFFAOYSA-N 266.278 1.921 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)sc1C 659171440 NZJUZTGJHQTCGP-SCZZXKLOSA-N 269.322 1.337 0 50 CDAA Cc1nc(CNC(=O)[C@@H]2OCCc3ccccc32)n[nH]1 889704441 QACXBMGTEMIHOH-CYBMUJFWSA-N 272.308 1.043 0 50 CDAA CC(C)C[C@@H](C)Nc1ncnc2c1cnn2CCO 2325749439 XSUQUZLEVPHBBQ-SNVBAGLBSA-N 263.345 1.665 0 50 CDAA O=C1CCc2ccc(NC(=O)[C@H]3C4CCN3CC4)cc21 2325810152 BDGQRWKEQPXBMJ-OAHLLOKOSA-N 270.332 1.848 0 50 CDAA NC(=O)[C@@H]1CCCC[C@@H]1NCCc1ccc2c(c1)CCO2 130917788 YEHFJTNBLOHEQK-CABCVRRESA-N 288.391 1.798 0 50 CDAA CC(=O)Nc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 30337 VWKKZENHLKXDCH-UHFFFAOYSA-N 297.314 1.996 0 50 CDAA CCCn1cnc2sc(C(=O)OC)c(C)c2c1=O 132432 QXZVEMXRKDYMPX-UHFFFAOYSA-N 266.322 1.963 0 50 CDAA COc1ccc(-n2c(=O)cc(O)[nH]c2=S)cc1 272461 UVWYFHXVLLVGAJ-UHFFFAOYSA-N 250.279 1.609 0 50 CDAA Cc1ccc2nc3c(nc2c1)C(=O)N(C[C@H]1CCCO1)C3=O 312871 LWMYPNDDYAOCFA-SNVBAGLBSA-N 297.314 1.713 0 50 CDAA CCn1nccc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356139516 ZSTNWNTXOJOLJO-GOEBONIOSA-N 299.374 1.894 0 50 CDAA Cc1cccc(C(=O)NCCNC(=O)c2ccncc2)c1 4487325 FDPAPDANVRLTSK-UHFFFAOYSA-N 283.331 1.550 0 50 CDAA C=CN1CC[C@@H](C(=O)c2cccc(N(C)C)c2)C1=O 6658258 CIWKRMFBLOMKKV-ZDUSSCGKSA-N 258.321 1.927 0 50 CDAA Cc1cc(-c2nn3c(C(F)(F)F)nnc3s2)[nH]n1 22504022 SJJNVOWWZXQIRZ-UHFFFAOYSA-N 274.231 1.903 0 50 CDAA Cn1cc(I)cc(Cl)c1=O 59581526 BDIGAHZEYICTAX-UHFFFAOYSA-N 269.469 1.643 0 50 CDAA Cc1ncc(C(=O)N(C)CC[C@H](O)c2ccccc2)cn1 102541954 SRAUCBFZSIHFNR-HNNXBMFYSA-N 285.347 1.981 0 50 CDAA Cc1cc(C(=O)N[C@@H]2COc3ccccc3C2)cc(O)n1 179900974 ZEUXQQHWPHZWKF-ZDUSSCGKSA-N 284.315 1.829 0 50 CDAA CN1CCC[C@H](CCNC(=O)COc2cccnc2)C1 67982158 BGBCJNLAOOXKBI-CYBMUJFWSA-N 277.368 1.309 0 50 CDAA COc1ncccc1Cc1noc(CC2(O)CCC2)n1 351115768 NFPCHJBOPKENBY-UHFFFAOYSA-N 275.308 1.522 0 50 CDAA O=C(OCCN1CCOCC1)c1ccc(Cl)cc1 22589584 YZWSRTDIKVWBGS-UHFFFAOYSA-N 269.728 1.829 0 50 CDAA Cc1nc(CC2CC2)sc1C(=O)NC[C@@H](C)CN 423449928 GTHOKYRBEFNQFV-QMMMGPOBSA-N 267.398 1.729 0 50 CDAA O=c1[nH]nc(Cc2ccncc2)n1Cc1ccccc1F 65398663 DSRYDKIUYRAFKI-UHFFFAOYSA-N 284.294 1.745 0 50 CDAA O=C(NC[C@H]1CCCO1)N[C@H]1CCN(c2ccccc2)C1 229575634 NRTHJUNQDUUJIR-DZGCQCFKSA-N 289.379 1.744 0 50 CDAA CN(C)CC[C@H]1CN(Cc2cnc(N(C)C)s2)CCO1 20200926 ITZFVCIKJZWISL-LBPRGKRZSA-N 298.456 1.362 0 50 CDAA Cc1nn(C[C@H]2CCCO2)c(C)c1[C@H]1COCCN1C 852962527 GZKYNDSIYJHHRF-ZIAGYGMSSA-N 279.384 1.682 0 50 CDAA O=C(CN1CCCCC1=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 252581617 DDTLELDJEWJAJF-CAEXGNQWSA-N 290.407 1.940 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)C1 252536705 JFPFSSFXVPUSOG-MCDVFOBDSA-N 263.337 1.602 0 50 CDAA CCc1nc(=NC(=O)N[C@H]2CCOC3(CCCC3)C2)o[nH]1 333070495 OROWKIYMNPQDPZ-JTQLQIEISA-N 294.355 1.667 0 50 CDAA Cn1cnc(C(=O)NCc2cccc(C(=O)O)c2)c1 236101129 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COCCC(=O)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 195579272 GNNKLSNUCDFGEU-ZDUSSCGKSA-N 280.368 1.050 0 50 CDAA Oc1cccc([C@@H](O)CNC2CSCCSC2)c1 1506429671 SSBWQGCJYCHSPQ-ZDUSSCGKSA-N 285.434 1.864 0 50 CDAA CCc1nccn1C[C@@H](C)NCC1(CO)CCC1 1506421625 RVBZYUGNCVODJT-GFCCVEGCSA-N 251.374 1.586 0 50 CDAA CCCC[C@H](N)C(=O)Nc1c(C)c(CC)nn1C 1529114558 PHSHTSBWKABFJU-JTQLQIEISA-N 252.362 1.747 0 50 CDAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccon3)C[C@H]2C1 1529120018 QQVOLYLSMRWFPM-MPZDIEGVSA-N 277.368 1.865 0 50 CDAA Cc1cc(CCNC(=O)N2CCC[C@H]2CCO)on1 516803686 UKLUJIUOKAMKLF-NSHDSACASA-N 267.329 1.082 0 50 CDAA CNc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccncc2)n1 1704298661 AXTNVYIRLZCWJF-KGLIPLIRSA-N 299.378 1.891 0 50 CDAA CCCCO[C@@H]1CS(=O)(=O)C[C@H]1OCCCC 4012787 YZMAHZNNBVQSKT-VXGBXAGGSA-N 264.387 1.785 0 50 CDAA O=C(O)CCNC(=O)[C@@H]1SCCc2sccc21 238175574 RDXWGPIKJZKQMZ-SNVBAGLBSA-N 271.363 1.669 0 50 CDAA NC(=O)C[C@@H]1CCCN(c2ncnc(N)c2Cl)CC1 671440632 NRAQFBCPXOECGL-MRVPVSSYSA-N 283.763 1.194 0 50 CDAA Cc1ncsc1CCNC(=O)c1ccncc1F 215426975 JPHZFIGKPMPILA-UHFFFAOYSA-N 265.313 1.958 0 50 CDAA COC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O)(C3)C2 217635661 GWQIHGDCAFPUKR-RFZWMSCOSA-N 253.298 1.766 0 50 CDAA O=C(O)CCCCN1CCCN(C(=O)C2CCC2)CC1 1772806577 BKKRYNUYPVACSL-UHFFFAOYSA-N 282.384 1.576 0 50 CDAA NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)CC1 20435970 WYYQSLIIISBTSJ-UHFFFAOYSA-N 285.750 1.082 0 50 CDAA Cn1cnnc1SCc1nc2ccccc2c(=O)[nH]1 13952669 RELGDPAOPFJSFV-UHFFFAOYSA-N 273.321 1.344 0 50 CDAA O=[P@](O)(CCc1ccccn1)CN1CCOCC1 19730765 OZWVVTCJUTWCLN-UHFFFAOYSA-N 270.269 1.184 0 50 CDAA CC(C)(O)CCn1ccnc1-c1ccc(-c2nn[nH]n2)cc1 1857666324 DNVIWFRMLSPUSW-UHFFFAOYSA-N 298.350 1.891 0 50 CDAA O=C(O)[C@H]1CCCCCN1C(=O)c1nc[nH]c2nccc1-2 621571114 PXMHLYZQWQKBGK-SNVBAGLBSA-N 288.307 1.379 0 50 CDAA COC(=O)[C@H]1CCn2c(CCc3ccco3)nnc2C1 601043829 CFCAIEHTFHCFMP-JTQLQIEISA-N 275.308 1.392 0 50 CDAA Cc1o[nH]c(=N)c1S(=O)(=O)N1c2ccccc2C[C@@H]1C 408420445 WRVDSLDJHSJOHC-QMMMGPOBSA-N 293.348 1.535 0 50 CDAA COc1ccccc1NC(=O)C(=O)NCc1ccco1 2648299 POGVQNZBSPKXQF-UHFFFAOYSA-N 274.276 1.543 0 50 CDAA COCCOc1ccc(NC(=O)c2cc(C)nn2C)cn1 119773688 WWNHRUNTOQIZBO-UHFFFAOYSA-N 290.323 1.401 0 50 CDAA O=C(O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 5072968 ZUYIZUTYDFCUMM-UHFFFAOYSA-N 278.333 1.881 0 50 CDAA in-vitro CC(C)[C@@H](N)C(=O)N1CCc2nc(C(C)(C)C)ncc2C1 638472336 FHDWKFKSKXZXBW-CYBMUJFWSA-N 290.411 1.642 0 50 CDAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc(C(=O)O)cc1 236771147 XITQHFGKTUHWBT-UPJWGTAASA-N 289.331 1.928 0 50 CDAA O[C@H]1CCC[C@H]1CNc1nccc(-c2cnccn2)n1 333508593 DQIDMTBQZIHAIM-GWCFXTLKSA-N 271.324 1.507 0 50 CDAA O=C([C@H]1CCCO1)N1CCO[C@@H](c2cccc(O)c2)C1 135452404 GILCGNRKONIFOW-ZIAGYGMSSA-N 277.320 1.471 0 50 CDAA COC(=O)CCCC(=O)Nc1nnc(C(F)(F)F)s1 163500289 HBJRYEFYFZHMAL-UHFFFAOYSA-N 297.258 1.839 0 50 CDAA CCc1csc(=NC[C@H](O)c2ccc(O)cc2)[nH]1 1875279437 FXNONJMRJQNZSM-LBPRGKRZSA-N 264.350 1.979 0 50 CDAA CCOC(=O)c1ccccc1NS(=O)(=O)CC 8227406 ZFTWUJAGOWIWTR-UHFFFAOYSA-N 257.311 1.625 0 50 CDAA CC(C)c1ocnc1C(=O)N1CCC[C@@H]1C1(O)CC1 1772818493 GPYPFBGUEAEWOS-SNVBAGLBSA-N 264.325 1.928 0 50 CDAA Cn1cncc1CNC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12 852344656 WHSASJJXRIBMQL-NTZNESFSSA-N 262.357 1.656 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)O)cc1 236854245 OPHZTBJVJCVVND-NWDGAFQWSA-N 263.293 1.426 0 50 CDAA Cc1c(C(=O)N(C[C@H](C)C(=O)O)C2CC2)cnn1C 237466916 KAXWXLLHZGCNDU-QMMMGPOBSA-N 265.313 1.054 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 253433326 VUDUCYRUMQPPRO-NEPJUHHUSA-N 280.343 1.790 0 50 CDAA Cn1nc(C(=O)O)cc1CNC[C@H]1Cc2ccccc21 635306724 XDNZVBDMARKAHY-LLVKDONJSA-N 271.320 1.548 0 50 CDAA C[C@@H](NC(=O)CCc1nc(O)n[nH]1)C1=CCCCC1 2100540624 NNZRGBJCXUQNCA-SECBINFHSA-N 264.329 1.448 0 50 CDAA O=C(O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)c1ccnc(C3CC3)n1)C2 2325807586 DXWDCJPTZVHIIM-IRUJWGPZSA-N 299.330 1.455 0 50 CDAA O=C(N[C@@H]1CC[C@@H]2C[C@@H]21)c1ccnn1-c1ccncc1 2325811906 HFGYCBWBYSIYHG-KGYLQXTDSA-N 268.320 1.796 0 50 CDAA Cc1ncc(Cn2c(=O)sc3ccccc32)c(=N)[nH]1 2325864914 FJYMYLWRHOVRJE-UHFFFAOYSA-N 272.333 1.622 0 50 CDAA CCCN1CCC(N2CCC[C@@H](C(N)=O)C2)CC1 757100 BFHADDFHSMDVKN-GFCCVEGCSA-N 253.390 1.058 0 50 CDAA COC[C@@]12COC[C@@H]1CN(c1ccc(C(C)C)nn1)C2 2356147181 LSSBQUQNGLQSGJ-WFASDCNBSA-N 277.368 1.699 0 50 CDAA O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)C(F)(F)F 3852315 MSIICIIOIIEGNY-QMMMGPOBSA-N 277.198 1.066 0 50 CDAA O=C([C@@H]1CC(c2ccccc2Cl)=NO1)N1CCOCC1 4504929 QVSKPJLCCOQYLZ-ZDUSSCGKSA-N 294.738 1.692 0 50 CDAA CCN(CC)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10329175 JKQUVZBYPSRICR-UHFFFAOYSA-N 284.381 1.849 0 50 CDAA Cc1nc(NCCN2CCCC2=O)c2nc(C)oc2n1 55575301 IBLDEUBLCBTLSO-UHFFFAOYSA-N 275.312 1.269 0 50 CDAA O=C(c1cc(=O)c2ccccc2o1)N1[C@H]2CC[C@@H]1CCNC2 65528244 GEUUUQISGMOCOF-NEPJUHHUSA-N 298.342 1.760 0 50 CDAA O=C(CCCOc1ccccc1)N1C[C@@H](F)C[C@H]1CO 347419184 WUYUDEJZGGFQRX-STQMWFEESA-N 281.327 1.777 0 50 CDAA CN1CCC(CN=c2[nH]cnc3cccc(F)c23)CC1 350738445 WPRKVOQQYKXTEK-UHFFFAOYSA-N 274.343 1.945 0 50 CDAA Cc1cnc(CN(C)C[C@@H](O)c2ccccc2)cn1 1506418833 VTVYMXZFIZVKGH-OAHLLOKOSA-N 257.337 1.950 0 50 CDAA COCCN1CCN(C[C@@H](O)c2ccc(F)cc2)C[C@@H]1C 229383685 XABBHGXHRYOLGN-XJKSGUPXSA-N 296.386 1.512 0 50 CDAA O=C1NCCN(C(=O)c2ccccc2)[C@@H]1Cc1ccccc1 20389084 BVXBQUQFECJYAI-MRXNPFEDSA-N 294.354 1.870 0 50 CDAA CC[C@@H](C)[C@@H](C(=O)O)n1nnc2ccccc2c1=O 26511195 NTNMVFQETBLBRH-KCJUWKMLSA-N 261.281 1.463 0 50 CDAA CCOC[C@H]1CCN(C(=O)c2ccc3nonc3c2)C1 328592792 RNNORNJNDWUYIS-JTQLQIEISA-N 275.308 1.721 0 50 CDAA CN1CN(C(=O)[C@H]2CC(O)=Nc3ccccc32)CC1=O 329423393 GBYFPTWQKOYATB-JTQLQIEISA-N 273.292 1.020 0 50 CDAA COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 490121 OROGSEYTTFOCAN-HXHAXSGFSA-N 299.370 1.501 0 50 CDAA biogenic,in-vitro CCc1ccc(CN(C)C(=O)CN2CCCC2=O)nc1 219431007 ARELRXQENMOIFN-UHFFFAOYSA-N 275.352 1.225 0 50 CDAA O=C([C@@H](O)c1ccc(Cl)cc1F)N1CCOCC1 253431890 VARPLHKBECVVNT-NSHDSACASA-N 273.691 1.371 0 50 CDAA CCc1nnc(CN2C[C@@H](COC)OC(C)(C)C2)o1 330554901 YWHBGGFGLXLSPA-JTQLQIEISA-N 269.345 1.258 0 50 CDAA CCOc1ccc(CC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 219088334 AMPGUAGSTHCAMG-ILXRZTDVSA-N 275.348 1.921 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2CCCO[C@@H]2C)n(C)n1 284124906 OXSQDWSRTXCMHB-ZYHUDNBSSA-N 251.330 1.160 0 50 CDAA CC(=O)NCC[C@H]1CCCCN1Cc1noc(C)n1 72149077 IBTAFZATILDMMM-GFCCVEGCSA-N 266.345 1.259 0 50 CDAA O[C@H]1COCCN(Cc2cc(CN3CCCC3)cs2)C1 77408213 KHZSPZGLMRGUIY-CQSZACIVSA-N 296.436 1.537 0 50 CDAA Cc1nc(NC[C@@H](C)n2ccnc2)c2c(C)nn(C)c2n1 72432974 QYMWZYKDALZVCD-SECBINFHSA-N 285.355 1.850 0 50 CDAA Cc1ncc(C(=O)N[C@@H]2CCCNCC2)c(C(C)C)n1 364590353 ROJZYBLCHOSCPO-GFCCVEGCSA-N 276.384 1.780 0 50 CDAA O=[S@](Cc1nc(O)cc(C(F)(F)F)n1)CC1CC1 155270992 FWYSJYOXMNOTBA-GOSISDBHSA-N 280.271 1.860 0 50 CDAA Cc1cc([C@@H]2CN(C(=O)C(=O)O)CCO2)ccc1F 368138834 MLPWUOSKQUCISH-NSHDSACASA-N 267.256 1.119 0 50 CDAA CS[C@@H](C)CCN1CCN(c2cnccn2)CC1 215543014 XLVZVMGFQUWEOW-LBPRGKRZSA-N 266.414 1.740 0 50 CDAA N[C@@H]1CC[C@H](C(=O)NC[C@@H](O)c2c(F)cccc2F)C1 237996508 JJOVYCXLAFKXDC-YGOYTEALSA-N 284.306 1.242 0 50 CDAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC=CCC1 238089700 AORUKGHVHQDDAR-OLZOCXBDSA-N 281.352 1.825 0 50 CDAA N[C@H](Cc1ccc(Oc2cccnc2)cc1)C(=O)O 39927944 WTDHHFOOKRZHAF-CYBMUJFWSA-N 258.277 1.828 0 50 CDAA CN(C)c1noc([C@H]2CCCN2C(=O)NC2CCCC2)n1 375706260 TWFKQBIECKOKBS-LLVKDONJSA-N 293.371 1.925 0 50 CDAA Cc1nc(CN2CCC[C@@H](c3nnc4ccccn34)C2)no1 76394745 SWXLGYGZZOLRJA-GFCCVEGCSA-N 298.350 1.800 0 50 CDAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1C[C@@H]1C(=O)O 262664178 VGHVVPPVOPXKSU-KGLIPLIRSA-N 299.330 1.551 0 50 CDAA CCN1CCO[C@H](C(=O)N2Cc3ccccc3CO2)C1 377125976 DYPHWHYMZAOBPR-AWEZNQCLSA-N 276.336 1.181 0 50 CDAA O=C(O)C1CCN(C(=O)CCn2cc(Cl)cn2)CC1 262703283 LNVAMPQWIIAAQO-UHFFFAOYSA-N 285.731 1.250 0 50 CDAA O[C@@H]1CNCC[C@H]1Nc1ccc(-c2ccc(F)cc2)nn1 77389441 RNJXIGLWHMEPGB-ZIAGYGMSSA-N 288.326 1.417 0 50 CDAA C[C@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CCCO1 241942340 ULSNMHGOMUEZJE-GARJFASQSA-N 294.317 1.697 0 50 CDAA COc1ccc(CN2CCN(C)[C@H](C)C2)c(OC)c1OC 43154259 JRMAVMWXWVBGDH-GFCCVEGCSA-N 294.395 1.848 0 50 CDAA Cc1cccc2c1OC[C@H](NC(=O)CCc1cncnc1)C2 292927745 SUOQTCHNULHBHU-OAHLLOKOSA-N 297.358 1.838 0 50 CDAA Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N1CCCCO1 613839910 CHRGYFFVTMGEOK-VXGBXAGGSA-N 279.340 1.442 0 50 CDAA O=C(O)[C@@H]1CCCCN1C(=O)CCc1cc(Cl)no1 426489555 NOVBAXRWSUPFBF-VIFPVBQESA-N 286.715 1.726 0 50 CDAA Cc1ccc(-c2[nH][nH]c3ncnc(=N)c2-3)c(-n2cccn2)c1 426501941 WMOKSABZMBOCIL-UHFFFAOYSA-N 291.318 1.878 0 50 CDAA Cc1cc2ccccc2n1CCNC(=O)N1CCOCC1 426359441 DVPWCGRIERXKKJ-UHFFFAOYSA-N 287.363 1.992 0 50 CDAA Cc1cc(=O)c(C(=O)NCC[C@H]2CCOC2)c(C)[nH]1 426667158 VPNGLNBHHJRVCE-NSHDSACASA-N 264.325 1.148 0 50 CDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCC[C@H](N)C1 82106064 SZDIIQFUDGKSGQ-LBPRGKRZSA-N 292.383 1.071 0 50 CDAA Cc1cc(C)n(Cc2nc(-c3cnc4cnccn34)no2)n1 225554671 XAKFLVHETSXCLN-UHFFFAOYSA-N 295.306 1.641 0 50 CDAA CN[C@@H](CC(C)C)C(=O)N(C)Cc1nc(C)c[nH]1 220738548 BFZZWJLJFFEQQX-NSHDSACASA-N 252.362 1.311 0 50 CDAA O=C(c1ccc(Cl)s1)N1CCCn2nnnc21 293842662 BDWYBBFWRGNWDK-UHFFFAOYSA-N 269.717 1.439 0 50 CDAA O=C(NCc1ccc2c(c1)CCCO2)c1ccc(=O)[nH]c1 220013116 PGLMJIPOUAZDMX-UHFFFAOYSA-N 284.315 1.630 0 50 CDAA CCOC1(CNC(=O)c2cncn2C)CCCC1 294304661 VZOYKNBCWQBOAX-UHFFFAOYSA-N 251.330 1.499 0 50 CDAA CCc1nc(N)nc(N2C[C@@H]3CCN(C)[C@@H]3C2)c1C 95379979 UZNSJSFETMGECW-CMPLNLGQSA-N 261.373 1.070 0 50 CDAA Cc1nc(N(C)C)ncc1C(=O)N1CC=C[C@H]1C(C)C 97578629 KGBKHXJUHAPSJE-ZDUSSCGKSA-N 274.368 1.888 0 50 CDAA Cc1ccc(N2C[C@H]3[C@H]4[C@H]5C[C@H]3[C@H](O)[C@H]5O[C@H]42)cc1 238900242 IDOOXBNMGJXFAS-OTFNZQRDSA-N 257.333 1.783 0 50 CDAA COCC[C@@]1(C(=O)O)CCCN(c2nccnc2OC)C1 91624629 HITOTXTWNDHCRT-AWEZNQCLSA-N 295.339 1.193 0 50 CDAA CC(C)(C(=O)NCC(=O)N1CCOCC1)C1CCCC1 181081604 ONWPDLWIJOIIBW-UHFFFAOYSA-N 282.384 1.178 0 50 CDAA COCC[C@]1(O)CCN(CCCSC)C[C@H]1C 91770298 QDBVHMNFENVISH-CHWSQXEVSA-N 261.431 1.849 0 50 CDAA CC(C)Nc1ncccc1C(=O)N1CCCNCC1 236756641 YSIWHOZDBBVQMC-UHFFFAOYSA-N 262.357 1.337 0 50 CDAA C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@]1(O)C1CCC1 91616849 FXECHYAPDWWVTP-WBMJQRKESA-N 299.378 1.650 0 50 CDAA COC(=O)C1(NC(=O)OC(C)(C)C)CCOCC1 98213402 XNEMDNLBFBUFGI-UHFFFAOYSA-N 259.302 1.233 0 50 CDAA CC(C)c1ncc(CN2CCN([C@H]3CCNC3)CC2)cn1 97618863 KVWALNMOGSHDEY-HNNXBMFYSA-N 289.427 1.080 0 50 CDAA COCC[C@]1(CO)CCCN(Cc2cc(C)n[nH]2)C1 92064755 WCRJFRYHMHFJEQ-CQSZACIVSA-N 267.373 1.329 0 50 CDAA Cc1cnn(CCNC(=O)CC[C@@H]2CCCN(C)C2)c1 91713323 SZQZPJLUNPGSAT-AWEZNQCLSA-N 278.400 1.430 0 50 CDAA Cc1cncc(NC(=O)N[C@@H](C)c2ncnn2C)c1 97547512 SGNOCYMNIKQZHT-VIFPVBQESA-N 260.301 1.401 0 50 CDAA OC[C@H]1CN(Cc2ccncc2)C[C@H]1CN1CCCC1 91738540 GWDMGSAGADRXKH-HZPDHXFCSA-N 275.396 1.218 0 50 CDAA CCOC(=O)c1cc(C(=O)OCC)c(O)cc1O 231522983 XPPJTSRLQZGQFU-UHFFFAOYSA-N 254.238 1.451 0 50 CDAA CCO[C@H]1C[C@H](N(C)C(=O)C2CCNCC2)C1(C)C 236977573 DEZAZWQHJZELLE-STQMWFEESA-N 268.401 1.648 0 50 CDAA COc1cccn(Cc2noc([C@H]3CCCO3)n2)c1=O 95497656 DRTZSZSHAVALFH-SECBINFHSA-N 277.280 1.140 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 242614952 PMVSUYJXXTXMHW-CLSQCYNNSA-N 275.348 1.814 0 50 CDAA CCn1ncnc1[C@H](NC(=O)[C@H]1CC[C@@H](O)CC1)C1CC1 244723550 MDOZDSSRSYZDNY-FRRDWIJNSA-N 292.383 1.416 0 50 CDAA Cc1cnc(C)c(N2CCN(Cc3nnc(C)o3)CC2)n1 252489031 JDVUZTAYCOFBEV-UHFFFAOYSA-N 288.355 1.107 0 50 CDAA CC(C)(C)OC(=O)N1CCN2C(=O)OC(C)(C)[C@@H]2C1 255189954 TZOFAFCZGZGTRS-VIFPVBQESA-N 270.329 1.837 0 50 CDAA Cn1nnc(-c2ccc(-c3ccc(N)cc3F)cn2)n1 261507028 DPAOGFLEXIXQBT-UHFFFAOYSA-N 270.271 1.660 0 50 CDAA COC[C@H](NC(=O)[C@@H](C)Cc1cccc(Cl)c1)C(=O)O 262818408 BLJGHDMTAGNJBD-CABZTGNLSA-N 299.754 1.734 0 50 CDAA COCC1(C(=O)N2CCCC3(CCNCC3)CC2)CC1 534643441 NKTRTVGONMZVTP-UHFFFAOYSA-N 280.412 1.795 0 50 CDAA COc1cccc(C(=O)N[C@@H](C)c2ncnn2C)c1OC 277039843 BPTXSWSLJKZEMA-VIFPVBQESA-N 290.323 1.323 0 50 CDAA C[C@H]1CN(Cc2cc(C(=O)O)nn2C)C2(CCC2)CO1 630073830 XGSNSSMLIFNMJO-JTQLQIEISA-N 279.340 1.262 0 50 CDAA CCc1ocnc1C(=O)N[C@H](C)c1nc(CCOC)no1 299774489 JKBKBSLERNOYKS-MRVPVSSYSA-N 294.311 1.300 0 50 CDAA COCCN(C)CC(=O)N[C@H](C)Cc1cccc(C)n1 299761825 YNKYOFOYFOIOEC-CYBMUJFWSA-N 279.384 1.015 0 50 CDAA C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C1CC(C(=O)O)C1 725377623 UZZACIBRFPTYKY-VOMCLLRMSA-N 298.383 1.791 0 50 CDAA CC(C)Cn1cncc1CNC(=O)CCCc1cn[nH]c1 821501997 BLHMVUBULPDXGU-UHFFFAOYSA-N 289.383 1.901 0 50 CDAA O=C(CN1CCCCCC1)N1CCCC[C@@H]1CO 828710936 QEJZVIKSMZQAGY-CYBMUJFWSA-N 254.374 1.236 0 50 CDAA O=C(CCCN1CCCCC1=O)NC1(CO)CCCC1 828686736 FKMZGNXEBRREAY-UHFFFAOYSA-N 282.384 1.200 0 50 CDAA Cc1ccc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)o1 864376720 DIHHWHVLTNQCQD-VIFPVBQESA-N 260.297 1.523 0 50 CDAA Cc1nc(CCCNC(=O)NCCF)sc1C 584885953 XEOWXJVILNOOHP-UHFFFAOYSA-N 259.350 1.961 0 50 CDAA COCc1noc(CNC(=O)CCc2c(C)noc2C)n1 584887085 IYCBGLOHECBPKR-UHFFFAOYSA-N 294.311 1.070 0 50 CDAA CC(C)(C(=O)NCc1n[nH]c2c1COCC2)C1CC1 1875296734 MMOCXUDQEKIPFR-UHFFFAOYSA-N 263.341 1.535 0 50 CDAA NC[C@]1(C2CCOCC2)CCN(C(=O)N2C[C@H]3C[C@@H]3C2)C1 1875291795 LTZTXVVQQBORTG-XJKCOSOUSA-N 293.411 1.136 0 50 CDAA O=C(N[C@H](CO)CC(F)F)[C@H]1CCC2(CCC2)O1 1875300540 HGTLQKZXIAPJJY-DTWKUNHWSA-N 263.284 1.220 0 50 CDAA NC(=O)[C@@H](NC(=O)NC1CC1)c1ccc2ccccc2c1 1875304568 NZCRKQRLXZQOLN-AWEZNQCLSA-N 283.331 1.828 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCC[C@@H](COC(F)F)C1 1875380611 UCJWXCRDZQYUAP-SNVBAGLBSA-N 290.310 1.109 0 50 CDAA Oc1nc(N2CCC[C@@H]2Cc2cccnc2)nc2n[nH]cc12 1875310653 XPBRTCPUPQVZMV-LLVKDONJSA-N 296.334 1.665 0 50 CDAA CC(C)NC1CCN(CCCc2ncc[nH]2)CC1 952881658 QRKFHGNNLHOGGQ-UHFFFAOYSA-N 250.390 1.805 0 50 CDAA CC(C)N1CCCN(C(=O)CSc2nccn2C)CC1 952873110 VGMDWPQWHFPAJS-UHFFFAOYSA-N 296.440 1.455 0 50 CDAA C[C@H](CC(N)=O)N(C)C(=O)c1cc(F)cc(Cl)c1 952971252 NBRYUTFAWUCPHC-SSDOTTSWSA-N 272.707 1.815 0 50 CDAA CCc1ncnc(N2CCC[C@@H]2c2ccc(N)nn2)c1F 886086195 RHPLWPXHVDIUCA-LLVKDONJSA-N 288.330 1.892 0 50 CDAA c1ccc(-c2n[nH]cc2NCc2cnc3n2CCOC3)nc1 893408284 MSHYXYRHUGZNAR-UHFFFAOYSA-N 296.334 1.811 0 50 CDAA O=C(CCCc1nccs1)N1CCO[C@@H]2COCC[C@@H]21 888781595 GKOINTAKULCQBW-NWDGAFQWSA-N 296.392 1.482 0 50 CDAA COCc1nn(C)cc1C(=O)N1CC[C@H](O)C12CCCC2 891167656 VJECUAWYAAHPOM-ZDUSSCGKSA-N 293.367 1.086 0 50 CDAA Cc1cc(S(=O)(=O)N2CCO[C@H](C3(C)N=N3)C2)c(C)o1 1775989071 BWDMDKUGCDEOLT-NSHDSACASA-N 299.352 1.468 0 50 CDAA O=C(CNC(=O)c1ccc(Cl)c(O)c1)NC1CCCC1 1361777439 MDHIOIJFZYOFQB-UHFFFAOYSA-N 296.754 1.834 0 50 CDAA CCS(=O)(=O)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 275082542 ZBDOEJWRZQQBAJ-SECBINFHSA-N 295.719 1.544 0 50 CDAA Nc1cccc(S(=O)(=O)N2CCC[C@H](CC(=O)O)C2)c1 275346218 SHXOJRXBHJKBOV-SNVBAGLBSA-N 298.364 1.144 0 50 CDAA O=S(=O)(c1ccco1)N1CCO[C@H]2CCC[C@H]21 275479898 NKKXABCHVSBYLX-ZJUUUORDSA-N 257.311 1.222 0 50 CDAA CN(Cc1cscn1)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275579588 RKLLJTCRLOYIOA-SECBINFHSA-N 292.364 1.642 0 50 CDAA COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nnc(C(F)(F)F)s1 170752864 XYYITOHOWCIYBL-IUYQGCFVSA-N 295.242 1.305 0 50 CDAA CC(C)[C@@H]1CCCN(C(=O)NCc2ccc(O)nn2)C1 580698925 UERPVMLDKVCXGY-LLVKDONJSA-N 278.356 1.760 0 50 CDAA N[C@H](CC1CCCCC1)C(=O)N1CCC(O)CC1 302421806 QZEYOUZTOZHOLN-CYBMUJFWSA-N 254.374 1.267 0 50 CDAA Cc1nn[nH]c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O 583621023 LRFYGZNOGCDSJJ-JMSVASOKSA-N 292.383 1.659 0 50 CDAA C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H](C(=O)O)C1 584908119 QZPGFUAXLQNQHS-AORWBKJGSA-N 293.294 1.541 0 50 CDAA CC(=O)[C@@](C)(O)Cn1cc(-c2c(F)cccc2F)nn1 641216435 GVFIZVURASNFRD-ZDUSSCGKSA-N 281.262 1.563 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)NCCN1CCOC(C)(C)C1 190917469 AYQDBEODHUZAPU-CHWSQXEVSA-N 284.400 1.029 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc(OC)c(F)c1 643763074 RQHJBBSBQKTQDR-OAHLLOKOSA-N 296.342 1.301 0 50 CDAA CN1CC[C@]2(CCN(C(=O)c3ncn(C(C)(C)C)n3)C2)C1 644766793 GHVDKCHNXUUUKC-HNNXBMFYSA-N 291.399 1.201 0 50 CDAA C[C@H]1c2cccn2CCN1C(=O)CCc1ccncn1 191766892 NWLGMRXICWGBSH-LBPRGKRZSA-N 270.336 1.814 0 50 CDAA COCCNC(=O)c1ccc(N2CCC[C@@H](F)C2)nc1 685917743 QOGNBGWWIMNNBS-GFCCVEGCSA-N 281.331 1.396 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)Cc2cn3c(n2)CCCC3)C1 652050570 GRBDKSZMWMNPIY-NSHDSACASA-N 291.351 1.085 0 50 CDAA COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](C)CSC 565741612 AHYISPNDHQCHJT-JQWIXIFHSA-N 296.392 1.281 0 50 CDAA CN(CCn1cccn1)Cc1ccccc1C(=O)O 572168688 HRSIOOMEEKZIJJ-UHFFFAOYSA-N 259.309 1.713 0 50 CDAA O=C(NOC1CCOCC1)[C@H]1CSCCS1 775248097 PLXHTNJVCUYRST-SECBINFHSA-N 263.384 1.062 0 50 CDAA COc1cccc(OCCN(C)CCc2nccn2C)c1 1506429586 UUZJZAQETYCNFM-UHFFFAOYSA-N 289.379 1.982 0 50 CDAA Cc1nc(N)nc(NCCN=c2cc[nH]cc2C)c1Cl 1529196125 VMLRYRSPNQMQEK-UHFFFAOYSA-N 292.774 1.670 0 50 CDAA O=C1NCCN1CCn1ccnc1-c1nccs1 1875242807 CKILXFCOCSBWDG-UHFFFAOYSA-N 263.326 1.032 0 50 CDAA Ic1ccc(N2CCNCC2)nc1 2526499 MKKJIJFTSAYHBW-UHFFFAOYSA-N 289.120 1.096 0 50 CDAA in-vitro Cc1[nH]ncc1C(=O)N1CC[C@H](C(=O)O)C[C@@H]1C 235600330 QFYSNLMGYPESHV-CBAPKCEASA-N 251.286 1.043 0 50 CDAA COC(=O)C1(N)CCN(Cc2ccc(Cl)cc2)CC1 8698586 LWWCWNHHHMFWBT-UHFFFAOYSA-N 282.771 1.806 0 50 CDAA in-vitro COc1ccc(OS(C)(=O)=O)cc1Br 15021684 OKYUXDVBQAPOJE-UHFFFAOYSA-N 281.127 1.796 0 50 CDAA in-vitro CCOC(=O)c1oc(NCCNC(=O)C2CC2)nc1C 1615003417 NFUQEGDYQQBOIV-UHFFFAOYSA-N 281.312 1.098 0 50 CDAA CCCO[C@@H]1CCCN(CCN2CCCC2=O)C1 1529154941 MDEJTFAVCBISQS-CYBMUJFWSA-N 254.374 1.500 0 50 CDAA CN1Cc2nnc(-c3ccccn3)n2-c2ccccc2C1=O 1772808955 GZUQABITGYZJAN-UHFFFAOYSA-N 291.314 1.915 0 50 CDAA COc1ccccc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 12408753 QTEGSQYLEWOWLK-JTQLQIEISA-N 272.264 1.270 0 50 CDAA Cc1cc(=O)oc2c(C)c(OCc3nn[nH]n3)ccc12 13805412 VTQHMUGVIAYMAD-UHFFFAOYSA-N 272.264 1.502 0 50 CDAA CCOC(=O)c1cnc(Nc2ccccc2OC)[nH]c1=O 18077569 BCJSLZOBKUTFPM-UHFFFAOYSA-N 289.291 1.699 0 50 CDAA O=S1(=O)CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 19739662 JFXXBQVUZFPVEV-UHFFFAOYSA-N 291.376 1.307 0 50 CDAA C[C@@H]1C[C@@H]2C[C@H]2C[C@@H]1C(=O)N=c1ccn(CCC(=O)O)[nH]1 1857527851 HJVXBAMWIJITMF-WYUUTHIRSA-N 291.351 1.400 0 50 CDAA COc1cccc(-c2nccn2[C@@H]2COC[C@H]2O)c1 1857725410 VPAPJCMJBHAXMH-CHWSQXEVSA-N 260.293 1.491 0 50 CDAA COc1ccc(NC(=O)CN[C@@H]2CCO[C@H]2C2CC2)cc1 234991766 CLOCYQNEGKBHDH-ZBFHGGJFSA-N 290.363 1.791 0 50 CDAA COc1cc(C)c(CN(C)C(=O)[C@@H]2CCNC2)cc1OC 237284208 AVQXMTVOHYISBU-GFCCVEGCSA-N 292.379 1.580 0 50 CDAA Cn1ncc2c(N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)ccnc21 334121267 LLWNDTGHLUIADZ-SDDRHHMPSA-N 272.352 1.566 0 50 CDAA CC[C@H](C)[C@H](O)C(=O)NCc1nccn1-c1ccccc1 253392796 FZIJXTONEZEKBU-WFASDCNBSA-N 287.363 1.896 0 50 CDAA CO[C@](C)(C(=O)Nc1nc(C)n(C)n1)c1ccccc1 253418592 CRNLVIZDHMVTTR-AWEZNQCLSA-N 274.324 1.624 0 50 CDAA Cn1cnnc1[C@@H]1CCCN1Cc1ccc(C(=O)O)cc1 261739968 SBQJIZCAXVVYMU-ZDUSSCGKSA-N 286.335 1.850 0 50 CDAA CC(C)(C)c1ncc(C(=O)N2CCOC[C@@H]2C(=O)O)s1 377142475 OADXUPUAIAYSPG-MRVPVSSYSA-N 298.364 1.366 0 50 CDAA NC[C@@H](NC(=O)c1ccc(N2CCOC2=O)cc1)C1CC1 159152370 VJFKVXVKXMAAJX-CYBMUJFWSA-N 289.335 1.110 0 50 CDAA CN(C[C@H](O)Cc1ccccc1)c1cccc(C(=O)O)n1 263406912 KZQRNPSITCTSCC-CYBMUJFWSA-N 286.331 1.820 0 50 CDAA CN(C)C(=O)c1c[nH]nc1NCc1nn(C)c2ccccc12 902660947 NJWGSNWWNCQAON-UHFFFAOYSA-N 298.350 1.610 0 50 CDAA CCn1ncc(C(=O)NCCc2cc(C)c(O)c(C)c2)n1 816407469 DOPAPTYGVWSBGG-UHFFFAOYSA-N 288.351 1.593 0 50 CDAA Cn1cc(CCN2CCC(c3ncco3)CC2)nn1 931442622 CHDQZKVTYPJFOT-UHFFFAOYSA-N 261.329 1.225 0 50 CDAA CCn1cc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)nn1 935436237 NBPJOHQUPUMCSP-INIZCTEOSA-N 298.346 1.570 0 50 CDAA NC(=O)CCOc1ccccc1NC(=O)NOC1CCC1 836309576 MZWVITNBZPYTDC-UHFFFAOYSA-N 293.323 1.546 0 50 CDAA C[C@H]1C[C@@H](NC(=O)c2ccn(Cc3ccccc3)n2)C(=O)O1 839777105 MQGQPBIFWDCROA-SMDDNHRTSA-N 299.330 1.365 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H](C1CCCC1)C(F)(F)F 859955576 VZPLWUJVFMCRAC-LBPRGKRZSA-N 292.301 1.868 0 50 CDAA Cn1ccc(CN2CC[C@@H](C(=O)O)c3ccccc32)n1 211853283 PDJRUYSTRUDZIP-CYBMUJFWSA-N 271.320 1.999 0 50 CDAA C[C@@H]1C[C@H]1c1ccc(CNCC2(CO)COC2)o1 123032014 PEIJVGOYSIYVOW-ZYHUDNBSSA-N 251.326 1.502 0 50 CDAA C[C@H]1CNCCN1C(=O)COc1ccc(F)c(Cl)c1 125902807 ZKHKJUVPRWJLPQ-VIFPVBQESA-N 286.734 1.678 0 50 CDAA O=C(O)CN(C(=O)c1ccc(Cl)o1)C1CCOCC1 238108849 QGCVAQYNVWEKEB-UHFFFAOYSA-N 287.699 1.639 0 50 CDAA CCn1cnnc1[C@@H]1CCCN(Cc2ccn(C)n2)C1 271181702 ZWEKZEPGBGDIHB-GFCCVEGCSA-N 274.372 1.411 0 50 CDAA OCC1(O)CCN(Cc2ccc(C3CC3)cc2)CC1 661622368 SKELTEMNGWSTQQ-UHFFFAOYSA-N 261.365 1.883 0 50 CDAA C[C@H](O)[C@H]1CCCN1c1ncc(C(N)=O)cc1Cl 664442528 YIKAZWLTGJFXJQ-OIBJUYFYSA-N 269.732 1.184 0 50 CDAA CC(C)(CN1CCCCC1)NC(=O)[C@H]1CCCNCC1 534647265 REECXSFTGKYAHT-AWEZNQCLSA-N 281.444 1.757 0 50 CDAA C[C@@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1C(=O)O 649405152 HDDYQLSRCJGVTC-BDAKNGLRSA-N 260.297 1.505 0 50 CDAA COCC1(CN=c2nc(OC)cc(OC)[nH]2)CCCC1 450917210 CRBQHSPEKHBAGL-UHFFFAOYSA-N 281.356 1.534 0 50 CDAA Cc1cc(C)nc(CNC(=O)CCc2cn[nH]c2)n1 952983566 PKNAVZCOEURMLP-UHFFFAOYSA-N 259.313 1.066 0 50 CDAA O=C(O)[C@@H]1CN(Cc2cccc3cccnc23)CC[C@@H]1O 2100482907 FZOSJESIMMQZLN-KGLIPLIRSA-N 286.331 1.502 0 50 CDAA O=C(NOCc1cccnc1)[C@H]1CCCN1c1cnccn1 2325779859 LPWCDYSJSHZVGZ-CYBMUJFWSA-N 299.334 1.088 0 50 CDAA O=C(O)CCCC(=O)Nc1ccc(C(=O)O)cc1 174725 CEFSDBCGVOXJHW-UHFFFAOYSA-N 251.238 1.578 0 50 CDAA CCOC(=O)c1cnn(C(=O)c2ccccc2)c1N 308376 ZAQAZPZIVUVMRV-UHFFFAOYSA-N 259.265 1.331 0 50 CDAA COc1ccc(OC[C@@H](O)Cn2nnc3ccccc32)cc1 449037 KLNMJTPAXQYTPE-LBPRGKRZSA-N 299.330 1.880 0 50 CDAA Cc1ccc(S(=O)(=O)NCCC(=O)NC(C)(C)C)cc1 1774205 BLMAXHMPFDRYLP-UHFFFAOYSA-N 298.408 1.578 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H]([C@H](N)CC(=O)O)C1 2576130 YMYPBFLZRYXYQL-VHSXEESVSA-N 272.345 1.436 0 50 CDAA O=C1N(CCc2ccccc2)CCC[C@@]12CCCN2 2356155809 NOBGFWSEKPTHJW-INIZCTEOSA-N 258.365 1.974 0 50 CDAA CCOC(=O)c1ccccc1NC(=O)CCC(=O)O 2831721 BFCLWLHNVORHDC-UHFFFAOYSA-N 265.265 1.667 0 50 CDAA biogenic CCN(CC)C(=O)CNC(=O)Cc1ccc(Cl)cc1 2880982 KUNAUXBPETUEJS-UHFFFAOYSA-N 282.771 1.867 0 50 CDAA CCN(CC)c1ccc2cc(C(N)=O)c(=N)oc2c1 4058740 MOIMPUQANPQHJY-UHFFFAOYSA-N 259.309 1.857 0 50 CDAA CCS(=O)(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 4842462 KQIDXTPLJAFKSE-UHFFFAOYSA-N 284.381 1.977 0 50 CDAA Cc1[nH]c2ncnn2c(=O)c1Cc1ccccc1Cl 100137498 DXJZAXMSQGRBKM-UHFFFAOYSA-N 274.711 1.970 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 136127217 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256.146 1.419 0 50 CDAA COCCN(Cc1ccc(C)s1)C[C@@]1(O)CCNC1 77407621 GPNVOLGOMSEJJI-CQSZACIVSA-N 284.425 1.229 0 50 CDAA CO[C@H]1C[C@@H](C(=O)Nc2ccc(C)nc2C)N(C)C1 330568004 MBZHWASCIAGNRB-AAEUAGOBSA-N 263.341 1.356 0 50 CDAA CN(CC(=O)O)C(=O)c1ccc(N2CCCCCC2)nc1 237170451 QHPCXONTZRSEJP-UHFFFAOYSA-N 291.351 1.619 0 50 CDAA O[C@]1(c2c[nH]nn2)CCN(c2ccnc(C(F)(F)F)c2)C1 284470561 IDHYFPBCBAKHDY-LLVKDONJSA-N 299.256 1.316 0 50 CDAA c1cc([C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)ncn1 369027218 NNGRDFIOCURLKK-SNVBAGLBSA-N 281.323 1.527 0 50 CDAA Cn1ccnc(N2CC[C@H](O)c3ccccc3C2)c1=O 369285117 UWAPRNCSPOGIHS-ZDUSSCGKSA-N 271.320 1.224 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H]2CCNC2)C[C@@H](c2ccsc2)O1 237607770 CTGMZQJQAYGQDW-WZRBSPASSA-N 280.393 1.646 0 50 CDAA Cc1ccccc1Cn1cnc2nccnc2c1=O 32587112 IWRQQZKYGLINMB-UHFFFAOYSA-N 252.277 1.543 0 50 CDAA O=C(c1cc(Cl)cc2cccnc12)N1CCNCC1 237812545 BXZWIIYEAZBZTJ-UHFFFAOYSA-N 275.739 1.934 0 50 CDAA Cc1ncc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2CS3)s1 334576140 KFNMTDQJDFZTDE-YUMQZZPRSA-N 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CDAA N[C@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 237847790 QNXCRXPJJDGXMC-LBPRGKRZSA-N 277.343 1.599 0 50 CDAA O=S(=O)(CCC1CC1)N1CCC[C@]2(CCOC2)C1 334876364 WHMYIZLQGRNECX-ZDUSSCGKSA-N 273.398 1.619 0 50 CDAA CSCC(=O)N1CCC2(CC1)c1ccccc1C[C@@H]2O 72169107 PPYYBMOHZBFHGZ-AWEZNQCLSA-N 291.416 1.827 0 50 CDAA Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)cc(O)n1 180285318 ZSHVJXATQYMCPJ-LBPRGKRZSA-N 261.325 1.016 0 50 CDAA O=C(Cc1cc2ccccc2s1)N1C[C@@H](O)C[C@H]1CO 336190838 STVSGVMKJXRKAT-RYUDHWBXSA-N 291.372 1.398 0 50 CDAA Cc1cccc2c1C[C@@H](C(=O)N1CCN(C)CC1)O2 336231074 NYTOUGFPRDJGJC-AWEZNQCLSA-N 260.337 1.073 0 50 CDAA CO[C@H]1CCN(C(=O)CCn2cc(C)cn2)CC1(C)C 452843134 IPCFKWCSUHTIKC-ZDUSSCGKSA-N 279.384 1.855 0 50 CDAA Cc1cc(C)n(CCn2cnc3sccc3c2=O)n1 32561788 JATYPGFAVMMXES-UHFFFAOYSA-N 274.349 1.972 0 50 CDAA CN(Cc1cnc(C2CCCCC2)nc1)C[C@@H](O)CO 215330216 XYEOQDLLQDHJBL-CQSZACIVSA-N 279.384 1.309 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Cl)ccc2C)C1 284947002 VUSIPQPDUPFSJK-NWDGAFQWSA-N 283.755 1.870 0 50 CDAA 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1.010 0 50 CDAA CCCc1nnc(N2CC[C@]3(CCCN(C)C3=O)C2)o1 95385060 ZDSLLFCLHRALGN-CQSZACIVSA-N 278.356 1.471 0 50 CDAA NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 269152576 CCFXRXNBDGFPNN-BPNCWPANSA-N 262.328 1.736 0 50 CDAA Cc1nc(C)c(C(=O)N2CCC[C@H](Cn3cncn3)C2)[nH]1 621876419 XTJSQHRFPZFZBA-LBPRGKRZSA-N 288.355 1.170 0 50 CDAA Cc1cccnc1CN(C)C(=O)CCN1CCCC1 244734689 NKEBCTGWBUJADO-UHFFFAOYSA-N 261.369 1.834 0 50 CDAA O[C@H]1C[C@@H](c2cc(N3CCC(F)(F)CC3)ncn2)C1 244884241 YIGUVOJHFPSNOX-AOOOYVTPSA-N 269.295 1.950 0 50 CDAA O=C(CN1CCc2ccccc2C1)N[C@H]1C[C@@H]2OCC[C@H]12 244748766 OOBKMRCNOFXYKU-PMPSAXMXSA-N 286.375 1.338 0 50 CDAA C[C@H]1CN(C[C@@H](O)c2ccccc2)CC[S@](=O)C1 253421081 PHVHTTDLRVVGSP-WRSAYESZSA-N 267.394 1.420 0 50 CDAA COc1ccnc(CN(C)[C@H](C)Cc2cnccn2)c1 252482005 CWQOOUPTQOKBLE-GFCCVEGCSA-N 272.352 1.943 0 50 CDAA CN(C)C1(CNC(=O)C[C@@H]2CCCOC2)CCCC1 534580790 RIZFKXSZMQSICL-ZDUSSCGKSA-N 268.401 1.794 0 50 CDAA COC[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)O 262967771 MNERKJMBIPZFRU-CABZTGNLSA-N 283.299 1.535 0 50 CDAA Cc1ccc(-c2cc3c(=O)n(CCN)ccn3n2)c(C)c1 263618393 STKFZWZKCJJFKC-UHFFFAOYSA-N 282.347 1.739 0 50 CDAA O=C(CCCN1Cc2ccccc2C1)N1CCCNCC1 534585948 XYFDNVCELLEVBY-UHFFFAOYSA-N 287.407 1.604 0 50 CDAA CC[C@@H](C)Oc1ccc(CNC(=O)N2CC(O)C2)cc1 534578263 QNSCNSGLTFFRAI-LLVKDONJSA-N 278.352 1.750 0 50 CDAA O=C([C@H]1CC(Cc2ccccc2)=NO1)N1CCOCC1 299798274 QWXDTSBWWJBCMU-CQSZACIVSA-N 274.320 1.233 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC(=O)Nc2cnns2)n1 299797540 BCBKMOYPYYFJMX-MRVPVSSYSA-N 280.357 1.562 0 50 CDAA CCOc1ccc(NC(=O)NCCCn2cnnc2)cc1 299794099 JGTXXLKEOFXEGP-UHFFFAOYSA-N 289.339 1.889 0 50 CDAA C[C@H]1CN(CC(=O)NCCCc2ccccn2)C[C@@H](C)O1 299793489 HICQHRDJYXZUIJ-OKILXGFUSA-N 291.395 1.240 0 50 CDAA CSCC[C@H](N)C(=O)N1CCC(c2ccncn2)CC1 299793026 IRMPCEXFSPOUBL-LBPRGKRZSA-N 294.424 1.263 0 50 CDAA Cc1cc(CC(=O)NCc2ccc(C(=O)N(C)C)o2)on1 299769458 NIKAQJBOYMYPNI-UHFFFAOYSA-N 291.307 1.137 0 50 CDAA COCCn1ccnc1CN1CC(N2CCCC[C@H]2C)C1 824466326 PKTLNUCXMLOJDS-CQSZACIVSA-N 292.427 1.588 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cn(C)c(C)cc1=O 584893941 QMBJAZJBAPYMEU-SECBINFHSA-N 288.351 1.525 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)c1cccc(N)n1 584900706 ITZFOZPYEFDRJH-SECBINFHSA-N 274.328 1.156 0 50 CDAA CC(C)N(CCn1cnc2cccnc2c1=O)C(C)C 584896752 LSBRJIOYNMWZNZ-UHFFFAOYSA-N 274.368 1.910 0 50 CDAA CCc1nccn1CCC(=O)N[C@H](C)c1nnc(N)s1 670452214 OIUCNYYZQFLVBO-MRVPVSSYSA-N 294.384 1.147 0 50 CDAA CN(C[C@H]1CCCCN1C)c1ncccc1C(N)=O 670444941 PZEFQPIDMLAIDN-LLVKDONJSA-N 262.357 1.101 0 50 CDAA O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 1573208 NECXGQHOJQBZFR-UHFFFAOYSA-N 259.048 1.576 0 50 CDAA c1ccc(N2CC[C@H](NCCc3cn[nH]c3)C2)cc1 685627567 QJFBXYBQKLUCQA-AWEZNQCLSA-N 256.353 1.821 0 50 CDAA Cc1ccc(CS(=O)(=O)N2C[C@H](O)CC(C)(C)C2)cc1 867823589 MQCWSLWOMNJSEF-CQSZACIVSA-N 297.420 1.918 0 50 CDAA CO[C@@H]1CCC[C@@H]1S(=O)(=O)Nc1cnc(C2CC2)nc1 1875362641 NTSKPTNLPOUFNZ-NEPJUHHUSA-N 297.380 1.663 0 50 CDAA COc1ccc(C(=O)NCCc2nn(C)cc2C)c(O)c1 1875312958 UZAAGXRIDSSEGU-UHFFFAOYSA-N 289.335 1.415 0 50 CDAA O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccc2c[nH]nc2c1 1875290053 NESNHCXNGIVHNN-CYZMBNFOSA-N 257.293 1.613 0 50 CDAA CC(C)c1nc(=NC(=O)Nc2cnn(C)c2)s[nH]1 1875296957 WKJKARGNPFMVST-UHFFFAOYSA-N 266.330 1.461 0 50 CDAA CC1(C)CC(CC(=O)N2CC[C@@H](CO)C2)CC(C)(C)N1 952972708 UOOVVOWDFIUBLO-GFCCVEGCSA-N 282.428 1.774 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CC2(CCCC2)C1 1333268578 KCPCFQRUWVXXBA-UHFFFAOYSA-N 250.342 1.424 0 50 CDAA COC(=O)C(C(=O)OC)c1ccc(Br)cc1 44200069 UODIEONWLZBSEK-UHFFFAOYSA-N 287.109 1.879 0 50 CDAA in-vitro CNc1ccc(NC(=O)[C@@H]2NCCOc3ccccc32)cn1 1775961329 RJLQRDPXWBPVNW-OAHLLOKOSA-N 298.346 1.785 0 50 CDAA CCCN(CC1CC1)C(=O)[C@H]1NCc2ncncc21 1775962124 UAGFAYFUWMPEMK-ZDUSSCGKSA-N 260.341 1.270 0 50 CDAA CNC(=O)c1ccnc(N2C[C@H](C(=O)O)[C@@H](C(C)C)C2)c1 1565514286 RCTGSEUVLXEABB-NEPJUHHUSA-N 291.351 1.234 0 50 CDAA CCc1cc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)C2)on1 1565508319 JBNWGTVWHIHQPV-ZJUUUORDSA-N 280.324 1.696 0 50 CDAA CC[C@@H]1[C@H](C)CCN1CC(=O)N1CCO[C@H](C)C1 170599714 YLGTWCIERSEJTK-JHJVBQTASA-N 254.374 1.354 0 50 CDAA O=S(=O)(c1ccco1)N1CC(O)(c2ccc(F)cc2)C1 170619191 OTSKSRBWDZJQAD-UHFFFAOYSA-N 297.307 1.311 0 50 CDAA C[C@@H](NC(=O)[C@@H]1COCCO1)c1csc(C2CC2)n1 170626246 CTROPGUYSNUNFH-KCJUWKMLSA-N 282.365 1.613 0 50 CDAA C[C@H](CNC(=O)[C@@H]1COc2ccccc21)CC(=O)O 211759472 BGHUHIQIHNFSFU-GXSJLCMTSA-N 263.293 1.390 0 50 CDAA COc1ccsc1S(=O)(=O)N[C@@H](C)c1cc[nH]n1 583650487 FUEQSAJNOWWODX-ZETCQYMHSA-N 287.366 1.519 0 50 CDAA c1c[nH]c(CNCC2(N3CCCCC3)CCOCC2)n1 111403618 YFHYJZRFUYFBNM-UHFFFAOYSA-N 278.400 1.534 0 50 CDAA C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc3c(c2)B(O)OC3)C1 584954458 LDHOSKYCLFYSAQ-GHMZBOCLSA-N 273.141 1.165 0 50 CDAA C[C@H](N[C@@H](C)c1nnnn1C)c1ccc(F)c(F)c1 189737838 RFGCSNSPEXQHAX-YUMQZZPRSA-N 267.283 1.900 0 50 CDAA O=C(CNC1CC1)Nc1n[nH]c(Cc2cccc(F)c2)n1 646488867 PUADDSIJQPLJEP-UHFFFAOYSA-N 289.314 1.225 0 50 CDAA CC(C)NCCN1CCC[C@H](CNC(=O)C(C)(C)C)C1 193443476 STKSFKJAMMUNRG-CQSZACIVSA-N 283.460 1.859 0 50 CDAA CCOC(=O)[C@]1(C(C)C)CCN(Cc2cnn(C)c2)C1 194857073 NYHPTNGKROYZQK-OAHLLOKOSA-N 279.384 1.831 0 50 CDAA COc1cc(NC(C)(C)CN2CCOCC2)ncn1 65380246 PLFVGMCMRPVHBK-UHFFFAOYSA-N 266.345 1.008 0 50 CDAA CO[C@@H]1CCN(C(=O)c2nc3c(s2)CCCC3)C1 1506397822 DCXLKTWXAGOHHR-SECBINFHSA-N 266.366 1.883 0 50 CDAA Cc1cnc(C)c(NCCN2CCCC[C@H]2CO)n1 1529190987 QUAWUKNHHCUGGY-ZDUSSCGKSA-N 264.373 1.352 0 50 CDAA COC[C@H](O)CN(C)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 229852645 QETTVGUHJAECPR-JHJVBQTASA-N 269.385 1.691 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3c(C)noc3C)C[C@H]2O)n[nH]1 1704304365 QNFXLLCHPBAXRA-IUODEOHRSA-N 290.367 1.358 0 50 CDAA O[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@H]1Cc1cnccn1 1704300031 URQAXONYQKMTBM-IUODEOHRSA-N 297.362 1.184 0 50 CDAA CO[C@@H](C(=O)N1CCCOC(C)(C)C1)c1cnn(C)c1 366839822 XUEKBJBVOXZMFQ-GFCCVEGCSA-N 281.356 1.135 0 50 CDAA O=C(N1CCCC(F)(F)CC1)[C@]12CNC[C@H]1CCOC2 1615545711 HUSMRWPPXQBOHM-YPMHNXCESA-N 288.338 1.260 0 50 CDAA Cc1cc(C)c(CC(=O)N[C@@H]2CCNC23CCC3)c(O)n1 1615547642 PANNHLGRANHXJH-CYBMUJFWSA-N 289.379 1.347 0 50 CDAA c1ccc2nc(N3CCN(Cc4cocn4)CC3)cnc2c1 1615615732 VSSNZSVTTZUDIP-UHFFFAOYSA-N 295.346 1.940 0 50 CDAA c1cc(-n2cnnc2)cc(-n2ccnc2-c2cc[nH]n2)c1 1775978951 WKRFHNYIHGCUKC-UHFFFAOYSA-N 277.291 1.843 0 50 CDAA OC[C@]12CCOC[C@H]1CN(CCOc1ccc(F)cc1)C2 1772704749 DWBMUMDZHVNWQZ-CZUORRHYSA-N 295.354 1.535 0 50 CDAA COc1ccc(CN2CCC[C@@H]2CO)cc1OC 5527327 HXXMHGSSGPFTCS-GFCCVEGCSA-N 251.326 1.661 0 50 CDAA O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)C1CC1 206230058 WXQIUXDFNFNJQD-CYBMUJFWSA-N 299.330 1.592 0 50 CDAA CCN=c1ncc(-c2nccn2-c2cnn(CC)c2C)c[nH]1 1857684377 LOARNAPMZVSXOH-UHFFFAOYSA-N 297.366 1.708 0 50 CDAA Cc1ccc2ncccc2c1-c1nccn1Cc1nn[nH]n1 1857691819 DZQYRNKCBFXQOC-UHFFFAOYSA-N 291.318 1.968 0 50 CDAA O=C(NCc1cnc2ccccn12)[C@H]1CCn2nccc2C1 1857709819 SRUOPDBMJUCMBZ-LBPRGKRZSA-N 295.346 1.410 0 50 CDAA Ic1cccnc1N1CCOCC1 19736827 QFHWWOMWOKEOOV-UHFFFAOYSA-N 290.104 1.523 0 50 CDAA in-vitro CC[C@@H](C)NC(=O)CN1CCOC[C@@H]1c1c(C)n[nH]c1C 330574335 QGBABKWHOWZFMZ-ZWNOBZJWSA-N 294.399 1.315 0 50 CDAA Cc1nnc([C@H](C)N2CCN(CC(C)(C)O)[C@H](C)C2)s1 407982872 KURINBWUXPNMRU-MNOVXSKESA-N 298.456 1.685 0 50 CDAA C[C@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCCn2nccc21 636377866 WXKACROLNHQEJW-XQQFMLRXSA-N 276.384 1.707 0 50 CDAA O=C([C@H]1CNCCOC1)N1CCC(c2ccncc2)CC1 643774065 HUHPTNBGINFWSG-HNNXBMFYSA-N 289.379 1.024 0 50 CDAA CC1(C)CC[C@H](C(=O)NCc2nc(C3CC3)n[nH]2)O1 333081041 MBXBPSPIMHADGY-SECBINFHSA-N 264.329 1.256 0 50 CDAA Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCCN2)CCO1 237686248 ZBVMNSCYTOSJPD-HUUCEWRRSA-N 274.364 1.647 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 237907037 FRTGIECUKWOZDU-VHSXEESVSA-N 289.335 1.474 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)C[C@H]1OCCc2ccccc21 238069590 ZTFJBNKOYBQQBP-ZIAGYGMSSA-N 289.331 1.766 0 50 CDAA C[C@@H]1C[C@H](NC[C@H](O)CO)C[C@H](c2ccccc2)C1 238857288 YPSZPHVKLRDAEC-UKMLZYKCSA-N 263.381 1.902 0 50 CDAA O=C(O)C(=O)N1CCC[C@@H](COc2ccccc2)C1 364181573 KYBTTWWJJZVXPR-LLVKDONJSA-N 263.293 1.389 0 50 CDAA COc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(O)c1 587560170 XFAFJDXVBUMTEC-UHFFFAOYSA-N 285.259 1.817 0 50 CDAA CCNc1nc(C(=O)N[C@H]2CCN(C(=O)CC)C2)cs1 163545819 JJIYTWUBCYNUNG-VIFPVBQESA-N 296.396 1.316 0 50 CDAA COc1ccnc(N2CCN([C@@H](C)c3ccccn3)CC2)n1 267071123 OOZAJUXCOXRSAO-ZDUSSCGKSA-N 299.378 1.763 0 50 CDAA O=C(NC1(C(=O)O)CCC1)[C@H]1COc2ccccc21 164902395 AXNLSKJQZZQODB-JTQLQIEISA-N 261.277 1.286 0 50 CDAA O=C(O)[C@H]1CCN(Cc2cccc(F)c2F)C[C@H]1O 1704310051 WPRZQNZOHYZKCM-GXSJLCMTSA-N 271.263 1.232 0 50 CDAA CC1(C)C[C@](C)(NC(=O)C[C@@H]2C=CCC2)C(=O)O1 820554500 URUYTXLZMMNERS-YGRLFVJLSA-N 251.326 1.943 0 50 CDAA CN(C)c1cc(CN2CCc3nccc(N)c3C2)ccn1 931520188 WZICSVQYUTWQKN-UHFFFAOYSA-N 283.379 1.683 0 50 CDAA O=C(c1ccc(Cl)cn1)N1CCC[C@H]1C1(O)CC1 1772810508 KLYHGIYVTARLFV-NSHDSACASA-N 266.728 1.865 0 50 CDAA O=C(NCc1ccncc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 222423596 KOGIDHMJCULLSY-ZDEQEGDKSA-N 274.320 1.445 0 50 CDAA O[C@@H]1COCC[C@H]1Nc1ccc(C(F)(F)F)cn1 220016427 NBKLJRJZBRRUPZ-RKDXNWHRSA-N 262.231 1.662 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NCCc1ccc(C(=O)O)cc1 236853907 XDMHWQINMDEGSZ-QWHCGFSZSA-N 277.320 1.469 0 50 CDAA O=C(O)C[C@@H]1COCCN1C(=O)Cc1cccc(F)c1 129450087 GCCYZQZTSHBVLB-GFCCVEGCSA-N 281.283 1.070 0 50 CDAA O[C@H](CN1CC[C@@H]2CCCC[C@H]2C1)Cn1cccn1 239351863 AAEAUHRZMQCGTD-SOUVJXGZSA-N 263.385 1.756 0 50 CDAA CO[C@H]1COC[C@@H]1Nc1ncnc2ccsc12 290623358 GOFJHTDNXFXGCS-IUCAKERBSA-N 251.311 1.517 0 50 CDAA CCc1nc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cs1 328492323 SRXQJHVWDWUBFC-JGVFFNPUSA-N 254.311 1.042 0 50 CDAA Cc1cnc(CN(C)C[C@@H]2CCc3nccn3C2)o1 328630501 JJZFQHRODFGGLB-LBPRGKRZSA-N 260.341 1.874 0 50 CDAA CCOCCCCN=c1[nH]c(C)c(C(=O)OC)s1 384616339 ZHPNCDFGFVWXGJ-UHFFFAOYSA-N 272.370 1.889 0 50 CDAA NC1(C(=O)NCc2ccc(Cl)cc2)CCNCC1 115004406 MUMYPMWHSGRVIW-UHFFFAOYSA-N 267.760 1.037 0 50 CDAA CCc1c(NC(C)=O)c(=O)n(-c2ccccc2)n1C 2325777274 QZJFHIKNGULCMS-UHFFFAOYSA-N 259.309 1.697 0 50 CDAA Cc1nc(-c2nnc3n2[C@@H](C)C(=O)N2CCC[C@@H]32)co1 2356136026 DFYRXGCZQIICTH-XVKPBYJWSA-N 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QOHYXAYPOATJTA-LLVKDONJSA-N 285.307 1.358 0 50 CDAA O=S(=O)(Cc1cccc(Cl)c1)N1CCOCC1 16577369 DIFVWEHTAAMACC-UHFFFAOYSA-N 275.757 1.502 0 50 CDAA O=C1CCCN1CC[P@@](=O)(O)CN1CCCCC1 19730825 TWQPBNAJZAXGGG-UHFFFAOYSA-N 274.301 1.323 0 50 CDAA OC[C@@H](O)Cn1ccnc1-c1coc(-c2ccccc2)n1 1857705442 IAWVXZJTXNFRPU-LBPRGKRZSA-N 285.303 1.558 0 50 CDAA COC(=O)c1ccc(-c2nccn2Cc2nc(O)n[nH]2)cc1 1857678612 PMTLWXDBHZZGOX-UHFFFAOYSA-N 299.290 1.209 0 50 CDAA O=C(CCCn1cncn1)Nc1ncc(F)cc1F 1875243204 WEUXZECAZMZHIQ-UHFFFAOYSA-N 267.239 1.370 0 50 CDAA C[C@H]1CCOCCN1C(=O)C(=O)Nc1cccc(F)c1 225494971 OUNUATXCZFBUQX-JTQLQIEISA-N 280.299 1.402 0 50 CDAA COc1ccc(CNC(=O)N2C[C@@H](C)[C@H](CO)C2)cc1C 225624836 UFPOYEGUFYGWLO-OCCSQVGLSA-N 292.379 1.773 0 50 CDAA Cc1ccccc1NC(=O)C(=O)NCc1ccccn1 2962066 XWGGMFHQXZFBTO-UHFFFAOYSA-N 269.304 1.645 0 50 CDAA CC1(C)C[C@@H]1C(=O)Nc1ccc(OCC(N)=O)cc1 120645611 RNGCVGQAIGBAOL-LLVKDONJSA-N 262.309 1.535 0 50 CDAA Cn1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)cn1 334387734 PPCLULXRUOATSI-KGLIPLIRSA-N 289.310 1.507 0 50 CDAA Cc1nn(CC(=O)N[C@@](C)(C(=O)O)C2CC2)c(C)c1Cl 237869793 NCBBFRWPVJZLNR-CYBMUJFWSA-N 299.758 1.523 0 50 CDAA Cc1ccc(C(=O)N2CCN(CCO)C[C@@H]2C)c(F)c1 335587364 SQPZXCSDXCFIQM-LBPRGKRZSA-N 280.343 1.273 0 50 CDAA COc1cc(CN2CCOCC2)cc(C=O)c1O 19536005 PLDOTXBAUZAVHP-UHFFFAOYSA-N 251.282 1.046 0 50 CDAA in-vitro Cc1nccn1CCCC(=O)N1C[C@H](C)N[C@@H](C)C1 153829380 GYDVCMUOIDSDRT-RYUDHWBXSA-N 264.373 1.181 0 50 CDAA C[C@H](C(=O)O)N1CCO[C@H](CCc2ccccc2)C1 263565677 FSESOXPKCPDCFH-TZMCWYRMSA-N 263.337 1.793 0 50 CDAA CCN(CCNC(=O)[C@H]1CCCNC1)c1cccc(C)c1 163626666 FPQBJVIBVQFWGY-HNNXBMFYSA-N 289.423 1.937 0 50 CDAA O=C(Nc1nnnn1C1CC1)c1ncoc1C1CC1 905848575 YTPLUHKZBXANSF-UHFFFAOYSA-N 260.257 1.126 0 50 CDAA Cc1noc2ncc(C(=O)N3CCC[C@@H](CN)C3)cc12 237640423 SKBLJYFHDLZRQW-JTQLQIEISA-N 274.324 1.342 0 50 CDAA NC[C@@H]1CCCN1S(=O)(=O)c1cccc2ncccc12 158382743 XQCRXISPTWLWQU-NSHDSACASA-N 291.376 1.347 0 50 CDAA NCCCOC1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)CC1 162255152 LXDLGKMGMPMLBH-KGLIPLIRSA-N 266.385 1.389 0 50 CDAA C[C@@H](CNC(=O)N1CC[C@@](C)(C(=O)O)C1)C(F)(F)F 263320325 AJUOTHIAXMKEGT-OIBJUYFYSA-N 282.262 1.691 0 50 CDAA O=C(O)c1cccc(CNC(=O)c2cncc(F)c2)c1 164709974 WYJITPAGAKQOEZ-UHFFFAOYSA-N 274.251 1.849 0 50 CDAA Cc1noc(C)c1CN(C)C(=O)c1c(O)cccc1O 67851224 GXVFLVRTZRJSSO-UHFFFAOYSA-N 276.292 1.975 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)N(CCO)CC(C)C 426593647 IMFDJNQERVFWSO-NSHDSACASA-N 253.346 1.229 0 50 CDAA COC[C@@H](O)CN1CCC(C2CCOCC2)CC1 360738336 JMPRBHSNAQHIKV-AWEZNQCLSA-N 257.374 1.132 0 50 CDAA COc1nccnc1N[C@H]1CCN(C(C)(C)C)C1 686303995 KHNMSJGSFQNPMX-JTQLQIEISA-N 250.346 1.770 0 50 CDAA Cc1noc(C2CCN(Cc3nn(C)cc3C)CC2)n1 877871068 JKIQWFJXFSGVIQ-UHFFFAOYSA-N 275.356 1.800 0 50 CDAA COc1ccnc(N2CC3(COc4ccccc4C3)C2)n1 2100542612 ATZIQOWIILDSCK-UHFFFAOYSA-N 283.331 1.927 0 50 CDAA c1cc(-c2cnn3c2CCCC3)nc(N[C@@H]2CCNC2)n1 2325796778 KUOUTBFQROGKLG-LLVKDONJSA-N 284.367 1.450 0 50 CDAA Cc1cnc2c(C(=O)N(C)c3cn[nH]c3)cccn12 2325840939 YSTZNTJMDUCASX-UHFFFAOYSA-N 255.281 1.642 0 50 CDAA COc1ccc2oc(=O)c(C(=O)N3CCOCC3)cc2c1 95790 IYNILLNMMOHTFA-UHFFFAOYSA-N 289.287 1.274 0 50 CDAA Cc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4 759378 QYLHKBYSTAIXSB-UHFFFAOYSA-N 260.322 1.440 0 50 CDAA CN1C(=O)c2cccc3c(S(=O)(=O)N(C)C)ccc1c23 816429 UOTGEVBCAVTTKN-UHFFFAOYSA-N 290.344 1.680 0 50 CDAA C[C@H](NC(=O)C(=S)N1CCOCC1)c1ccccc1 1060035 XOKLMTPFUASDED-NSHDSACASA-N 278.377 1.523 0 50 CDAA O=C(OCc1ccccc1)N1CCO[C@@H](CO)C1 1435908 JQVTXHHMCVAPDT-GFCCVEGCSA-N 251.282 1.016 0 50 CDAA c1c[nH]c([C@H]2CCCN(Cc3ccn4ncnc4c3)C2)n1 2356147889 WBGRWQLTNNJNGY-ZDUSSCGKSA-N 282.351 1.832 0 50 CDAA CCCCN(CCCC)C[C@@H](O)CS(=O)(=O)O 4831689 WPRVXAYSKZORQS-LLVKDONJSA-N 267.391 1.137 0 50 CDAA CN1C(=O)[C@@]2(NC(=O)c3ccccc3N2)c2ccccc21 8997482 CSSIRHNNISVTOC-INIZCTEOSA-N 279.299 1.671 0 50 CDAA biogenic C[C@H]1Cc2ccccc2N1C(=O)C(=O)Nc1ccccn1 58965512 LVHYLZUZUCZBOA-NSHDSACASA-N 281.315 1.998 0 50 CDAA CN1CCC[C@H](N(C)S(=O)(=O)c2ccsc2)C1 351943895 IQVBDLWJGGYCNJ-JTQLQIEISA-N 274.411 1.463 0 50 CDAA CCn1cc(-c2n[nH]c(=O)n2-c2ccc(C(=O)O)cc2)cn1 65492658 OCBBCLZWBJTVGH-UHFFFAOYSA-N 299.290 1.142 0 50 CDAA C[C@@H](Cc1ccccc1F)C(=O)N1CCO[C@@H](C(=O)O)C1 237360610 VTUSXGDRGLLYHN-GXFFZTMASA-N 295.310 1.316 0 50 CDAA CC(C)[C@]1(C)C[C@@H]1NC(=O)CC[C@@H]1CCC(=O)N1 333743673 LZLRNKSSPVOWCB-MJVIPROJSA-N 252.358 1.596 0 50 CDAA c1ccc(CN2CCO[C@@H]3CN(CC4CC4)C[C@H]32)cc1 230103495 TZNJOKPYGZMSLG-IAGOWNOFSA-N 272.392 1.982 0 50 CDAA CC(C)CO[C@H](C)c1noc([C@@H]2CC[C@H](CN)O2)n1 328606534 RXYLQFYCBYCWFM-MXWKQRLJSA-N 269.345 1.982 0 50 CDAA COc1nccc(NC(=O)N[C@@H]2CCOC(C)(C)C2)n1 282568986 FBZJPLHUQKEGIX-SECBINFHSA-N 280.328 1.564 0 50 CDAA COC(=O)c1ccc(CN2C[C@@H](C)S(=O)[C@H](C)C2)nc1 253417408 BEWIJXCETDBBTQ-GHMZBOCLSA-N 296.392 1.210 0 50 CDAA Cc1cc2cc(C(=O)NCCOCCO)ccc2o1 216142412 JQEITMZNZCVMCU-UHFFFAOYSA-N 263.293 1.480 0 50 CDAA CCc1nn(C)c(CC)c1CC(=O)N1C[C@@H](F)C[C@H]1CO 330581609 URKPBONRXIIKFQ-QWRGUYRKSA-N 297.374 1.019 0 50 CDAA CC(C)Cc1nnc2sc([C@@H]3COCCO3)nn12 71762411 KFWWCDYYWZKFTO-QMMMGPOBSA-N 268.342 1.472 0 50 CDAA CC[C@@H](NC(=O)c1noc2c1CCCC2)C(=N)O 330624256 QXIQNQLLAWDAOZ-MRVPVSSYSA-N 251.286 1.597 0 50 CDAA CCCN1C[C@H](NC(=O)c2ccnc(C(C)C)n2)CC1=O 71762124 VWTHJYZGXVJWEH-LLVKDONJSA-N 290.367 1.341 0 50 CDAA O=C(c1ccc2[nH]c(=O)[nH]c2n1)N1CCCCCC1 283017058 XCGVWXYKYGAFEJ-UHFFFAOYSA-N 260.297 1.267 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)CCN1 155048165 AOCZBMSBBUXUGV-GFCCVEGCSA-N 274.368 1.116 0 50 CDAA CC[C@@H](NC(=O)Cc1ccccn1)c1ncc(C)[nH]1 215319984 VBSYFVFVGBAFJB-GFCCVEGCSA-N 258.325 1.923 0 50 CDAA O=C(NC[C@H]1CCCC1(F)F)c1cc2n(n1)CCO2 333826440 KSRYPWQPPPHEOG-MRVPVSSYSA-N 271.267 1.441 0 50 CDAA COCCn1ccnc1CN(C)Cc1ccncc1C 215814891 KGGYBEFTSNJYSN-UHFFFAOYSA-N 274.368 1.865 0 50 CDAA CCN1C[C@@H](NC(=O)c2ccc(C)c(F)c2)CC1=O 334669626 QVGWSYWIMXAHJX-NSHDSACASA-N 264.300 1.485 0 50 CDAA N[C@@H]1CC[C@H](C(=O)NCCNC2CCCCCC2)C1 237995231 YKNKEZGOBAZKJL-QWHCGFSZSA-N 267.417 1.542 0 50 CDAA CC(C)(O)[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]c2=O)C1 215690984 SRWCFSGSZYREHU-MRVPVSSYSA-N 284.743 1.261 0 50 CDAA CC(C)[C@H](O)CC(=O)N1CCC2(CCOCC2)CC1 375911195 DODGYCHJSAAYQY-CYBMUJFWSA-N 269.385 1.813 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)c1ccn2nnnc2c1 71422353 DPGPCRZDZBECNH-LLVKDONJSA-N 296.334 1.189 0 50 CDAA CCn1cc(C(=O)N2CCC[C@H](N)C2)c(C(C)C)n1 158597061 KVXSDNNNJCTORO-NSHDSACASA-N 264.373 1.590 0 50 CDAA Cc1cc(NC(=O)Nc2cnn(C)c2)c(=O)n(C)c1 336086123 FFAMJSJNHLPEPU-UHFFFAOYSA-N 261.285 1.071 0 50 CDAA Cc1nc([C@H]2CCCN(Cc3cccnc3N)C2)cc(=O)[nH]1 72409940 YZAQZWJFIDOEMO-LBPRGKRZSA-N 299.378 1.435 0 50 CDAA CN1[C@H]2CC[C@H]1CN(c1ncc(Cl)cn1)CC2 241515761 OHUOZTISOXCTSE-QWRGUYRKSA-N 252.749 1.803 0 50 CDAA COc1ccc(C2(C(=O)NCc3n[nH]c(C)n3)CC2)cc1 215828026 ARICLMYDBWCXLW-UHFFFAOYSA-N 286.335 1.470 0 50 CDAA COc1ccc(F)cc1C(=O)N1CCOC[C@@H]1CC(=O)O 218679227 LATOIFGEJKXXAP-JTQLQIEISA-N 297.282 1.150 0 50 CDAA CSCC(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O 72169108 PPYYBMOHZBFHGZ-CQSZACIVSA-N 291.416 1.827 0 50 CDAA CC(=O)c1cc(CC[C@H]2CCS(=O)(=O)C2)ccc1O 82138336 NDHGSBMVOVMKLS-LBPRGKRZSA-N 282.361 1.962 0 50 CDAA O=C(NCc1ccc2nc[nH]c2c1)[C@H]1CC[C@@H](C(=O)O)C1 426674113 FJZLQXCZWQAEOB-WDEREUQCSA-N 287.319 1.680 0 50 CDAA CCN(CC)CCNC(=O)N1CCc2n[nH]c(C)c2C1 426430951 FAGQGJPPWRAYIS-UHFFFAOYSA-N 279.388 1.128 0 50 CDAA O=C(O)[C@H]1C[C@@H]1C(=O)NCCCOc1ccc(F)cc1 268877434 BZAKLPIIMYIUSC-RYUDHWBXSA-N 281.283 1.432 0 50 CDAA CCc1nc(CNC(=O)N(C)Cc2ccnc(C)c2)no1 426359438 DPIIUIRTMJYBHX-UHFFFAOYSA-N 289.339 1.677 0 50 CDAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccoc1C1CC1 616775206 CQBMQHGILXBRTN-YNEHKIRRSA-N 287.319 1.458 0 50 CDAA O=C(NCC[C@H]1CCCNC1)c1ccc2nccn2c1 179128966 DDHMREJTWWNMCZ-GFCCVEGCSA-N 272.352 1.454 0 50 CDAA Cc1cc(F)cc2[nH]c(C(=O)N3CCNCC3)cc12 237662798 YETNFASXIOEJRO-UHFFFAOYSA-N 261.300 1.661 0 50 CDAA Cn1cccc1CCC(=O)N[C@@H](c1nccn1C)C1CC1 426489909 MHVOAXCPEVTRGF-OAHLLOKOSA-N 286.379 1.959 0 50 CDAA Cn1nncc1CNC1(c2cccc(F)c2)CCOCC1 267497265 FTZLDGXUYPCTPC-UHFFFAOYSA-N 290.342 1.750 0 50 CDAA O=C1N[C@H](CC(=O)N2CCSCC2)c2ccccc21 97815281 HJGDCFAJZXPIDP-GFCCVEGCSA-N 276.361 1.437 0 50 CDAA O=C1c2ccccc2CN1CCc1nc([C@@H]2CCOC2)no1 96152390 HOXJQLDGYAJXDC-GFCCVEGCSA-N 299.330 1.772 0 50 CDAA CCN1CC[C@H]2OCCN(Cc3ccn(C)c3)[C@H]2C1 293604284 JLSIKCVAQQNTBB-LSDHHAIUSA-N 263.385 1.320 0 50 CDAA O=C1CCCN1CCN1CCC[C@@](CO)(CC2CC2)C1 92002158 LNFODXMPNPZJEG-MRXNPFEDSA-N 280.412 1.483 0 50 CDAA CC1(C)OC(=O)N(CCn2cnc3ccccc32)C1=O 95518158 KFXRDCGKARIQQO-UHFFFAOYSA-N 273.292 1.794 0 50 CDAA COCc1nc(CN2C[C@@H](c3ccccc3)CC2=O)no1 95520021 DGRDLQSOJNQCBC-LBPRGKRZSA-N 287.319 1.732 0 50 CDAA O=C(N[C@H]1CCC[C@H](O)C1)c1cc2ccccc2c(O)n1 620228401 FRZWUCRTQXLLNK-RYUDHWBXSA-N 286.331 1.974 0 50 CDAA COc1cccc(C(=O)N[C@H](C)CC(C)(C)O)c1 297363585 ZCGSJFLBWHMJOQ-SNVBAGLBSA-N 251.326 1.975 0 50 CDAA CN(C)C[P@](=O)(O)[C@@H]1Cc2ccccc2[C@H]1C(=O)O 252383286 AVXJHCOALLFXGU-VXGBXAGGSA-N 283.264 1.569 0 50 CDAA Cn1ncc(C(=O)NC[C@H]2CCc3ccccc32)c1N 184458379 QFTGRFSDBVOSQC-LLVKDONJSA-N 270.336 1.462 0 50 CDAA COC[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)O 262967772 MNERKJMBIPZFRU-JOYOIKCWSA-N 283.299 1.535 0 50 CDAA COCC1(CNC(=O)CC[C@@H]2CCCCN2C)CC1 534586313 ZNMBJDCYQBFLIG-ZDUSSCGKSA-N 268.401 1.794 0 50 CDAA CC[C@H](NC(=O)Cc1cc(O)nnc1O)c1ccccn1 534629759 NLOSEGZHNDGHCY-JTQLQIEISA-N 288.307 1.093 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc([S@](C)=O)c(F)c1 295435539 MSEGGMBITDPJRU-KEMUKHNQSA-N 285.340 1.927 0 50 CDAA COc1ccccc1OCCN1CCC[C@H](NCCO)C1 864097424 VHOAWWNQYAFFRA-AWEZNQCLSA-N 294.395 1.120 0 50 CDAA O=C(NCCn1ccnc1)N1CC=C(C(F)(F)F)CC1 270097504 BCLNZKPDOSCGEV-UHFFFAOYSA-N 288.273 1.787 0 50 CDAA CCCN1C[C@H](c2ncnn2-c2cccnc2)CCC1=O 822919198 OSBVDKWZEHTGOK-GFCCVEGCSA-N 285.351 1.778 0 50 CDAA Cc1nc(-c2cn(C)nc2C)n(CC(F)(F)F)n1 825273266 JYEZTFYLWGHMJA-UHFFFAOYSA-N 259.235 1.858 0 50 CDAA COc1ccc2ncn(CC3(CO)CC3)c(=O)c2c1 584900862 ATKARFYRBNZMFT-UHFFFAOYSA-N 260.293 1.178 0 50 CDAA Cc1ncn(CCNC(=O)C2CCOCC2)c1C 827763735 NCMAZUBLHARCOX-UHFFFAOYSA-N 251.330 1.043 0 50 CDAA COc1ccc2ncn(C[C@H]3CCN(C4CC4)C3)c(=O)c2c1 584888608 FACGVPWHDQQTPB-LBPRGKRZSA-N 299.374 1.889 0 50 CDAA O=C1NCC2(CN(Cc3ccc(-c4cc[nH]n4)s3)C2)N1 828305134 GQZVPAPTBGCBBK-UHFFFAOYSA-N 289.364 1.005 0 50 CDAA CCO[C@H]1COC[C@@H]1n1cnc2ccc(OC)cc2c1=O 584891298 JUZBSXXDUKBOFR-KBPBESRZSA-N 290.319 1.382 0 50 CDAA C[C@@H](O)CN1CCC(CNC(=O)c2ccc(F)cc2)CC1 1001136842 BDIAKYIEFHXZIN-GFCCVEGCSA-N 294.370 1.648 0 50 CDAA CN1CC2(CCN(CCCn3cccc3)CC2)OCC1=O 670434590 CKDQOQQYJYKCFU-UHFFFAOYSA-N 291.395 1.201 0 50 CDAA Cn1cc(CC(=O)N2CCc3c(cccc3C(=O)O)C2)cn1 630215265 CWUHKWXKWKUTTE-UHFFFAOYSA-N 299.330 1.246 0 50 CDAA C[C@H](C(=O)N1CC[C@H](C(=O)O)[C@H]2CCC[C@@H]21)n1cccn1 630285073 YZROXMQTDPIFBU-NDBYEHHHSA-N 291.351 1.546 0 50 CDAA C[C@@H]1[C@H](O)CCCN1C(=O)c1nnc(-c2ccccc2)o1 1875282059 LDVMJSQZEBTFKR-ZYHUDNBSSA-N 287.319 1.722 0 50 CDAA CC(C)(CO)[C@H]1CCCN1C(=O)c1n[nH]c2c1C[C@H]1C[C@@H]21 1875298294 WBQOSZNEVMSLIO-CKYFFXLPSA-N 289.379 1.692 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)N2C[C@H]3CC[C@H]3C2)C1 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COc1ccsc1S(=O)(=O)N1Cc2c[nH]nc2C1 585115212 RIILEANFMHJQJO-UHFFFAOYSA-N 285.350 1.184 0 50 CDAA O=C(O)c1coc(CNC(=O)[C@H]2CC=CCC2)n1 585134271 KKNXMTVSADPBOL-QMMMGPOBSA-N 250.254 1.345 0 50 CDAA CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)O)C1 95629983 OEXVKTNKFKHQQQ-ZETCQYMHSA-N 265.256 1.963 0 50 CDAA in-vitro NC(=O)c1cnccc1NC[C@@H]1CC(=O)Nc2ccccc21 302022722 IZABBMRZRMWSNW-JTQLQIEISA-N 296.330 1.718 0 50 CDAA CCc1nn(C)c(OC)c1CNC(=O)[C@H]1CCCO[C@@H]1C 189964860 BMFUKCWMABPWKT-MNOVXSKESA-N 295.383 1.422 0 50 CDAA CC(C)[C@H](C)NC(=O)CN1[C@H](C)CC(O)C[C@H]1C 191148718 NZFAHASOIILPDM-UTUOFQBUSA-N 256.390 1.381 0 50 CDAA Cc1ccccc1Cc1nnn(CC[C@@H]2CCNC2)n1 566103380 KHQKMXWZCURQPV-ZDUSSCGKSA-N 271.368 1.572 0 50 CDAA Cc1cc(C)nc(-n2nccc2NC(=O)N[C@H]2C[C@H]2C)n1 195579011 QAUYCXFMAAIGEO-KCJUWKMLSA-N 286.339 1.809 0 50 CDAA Cc1ncsc1-c1nc(COC(=O)C2CC2)no1 761019618 BASVUVQVBLVYCR-UHFFFAOYSA-N 265.294 1.955 0 50 CDAA C=CC(=O)N(CC)CC(=O)NC1Cc2ccccc2C1 907388462 TZCTZIUGORPAPO-UHFFFAOYSA-N 272.348 1.305 0 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Cn1ccc(C(=O)N[C@H]2CCOC3(CC(C(=O)O)C3)C2)c1 910616170 QXWPQIJCAFFJKZ-AVERBVTBSA-N 292.335 1.167 0 50 CDAA C[C@H]1CCN(c2cc(N)ncn2)C[C@@H]1n1ccnc1 1120824057 HMZNHAWBTSWGNS-QWRGUYRKSA-N 258.329 1.343 0 50 CDAA O=C(Cc1ccc(F)cn1)Nc1cccc(-n2nccn2)c1 1142017865 SRGJONZYABOLCO-UHFFFAOYSA-N 297.293 1.983 0 50 CDAA CCOC(=O)[C@H]1CCCN(C2CCN(C)CC2)C1 248224 DHNVWVJYVSKEOI-LBPRGKRZSA-N 254.374 1.356 0 50 CDAA C[C@H]1CCC[C@@H](C)N1C(=O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239030643 CDRATGVLFXMROI-LREJFELKSA-N 281.352 1.654 0 50 CDAA N[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 269103624 AZCKCDUDHZRIFR-GFCCVEGCSA-N 270.336 1.436 0 50 CDAA CC(C)(C)n1cnc(C(=O)NCc2ccccc2)n1 290881864 BZXKZVFYZDRJHQ-UHFFFAOYSA-N 258.325 1.963 0 50 CDAA O=C(O)CCN1CCN(Cc2cccc(O)c2Cl)CC1 328101891 HKYOTALOAFEMBC-UHFFFAOYSA-N 298.770 1.638 0 50 CDAA C[C@H]1C[C@H]2CN(C(=O)c3cc[nH]c4nccc3-4)CCN2C1 2325796577 ZGGGZXPYBQCWMJ-RYUDHWBXSA-N 284.363 1.681 0 50 CDAA C=CC(=O)N1CC[C@@](C)(O)[C@](O)(c2ccccc2)C1 2325895274 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CCCN1CCC(NC(=O)C2CCN(C(C)=O)CC2)CC1 6726560 GNXBXNOTOHFHPP-UHFFFAOYSA-N 295.427 1.236 0 50 CDAA CCOc1cccc2cc(C(=O)NCCOC)c(=O)oc12 6743413 RADYKRRJDZEIOW-UHFFFAOYSA-N 291.303 1.568 0 50 CDAA CCOc1ccc(S(=O)(=O)NCCCN(C)C)cc1 7374525 TXKGBPKGKDEOFW-UHFFFAOYSA-N 286.397 1.315 0 50 CDAA CC(=O)c1cccc(-c2cc(N3CCOCC3)nc(N)n2)c1 102546524 SBNSNRVGWWMMBZ-UHFFFAOYSA-N 298.346 1.765 0 50 CDAA Cc1cc(C)n(NC(=O)c2cn3ccsc3n2)c(=O)c1 67674956 GJPMSJPEUFWBEI-UHFFFAOYSA-N 288.332 1.558 0 50 CDAA COC(=O)N[C@@H](C)c1nc(CC2CCN(C)CC2)no1 67688729 AIJXSBXVYHFUHI-VIFPVBQESA-N 282.344 1.371 0 50 CDAA C[C@H](O)[C@@H]1CCCCN1CC(=O)N[C@@H]1CCCC[C@H]1C 241157319 JWTQRGCFTWKXTK-BARDWOONSA-N 282.428 1.917 0 50 CDAA COc1cc(C(C)=O)ccc1OCCCN1CCOCC1 20653294 KSYDRLYCMHOLOO-UHFFFAOYSA-N 293.363 1.999 0 50 CDAA COc1ncccc1-c1cc(N)nc(N2CCCC2)n1 65455202 CNUQLTIPEMYLLR-UHFFFAOYSA-N 271.324 1.730 0 50 CDAA C[C@H](c1nccs1)N(C)CC(=O)Nc1cnccn1 65395776 JUVLRHUGNIFPKI-SECBINFHSA-N 277.353 1.565 0 50 CDAA CCn1cnc2c(c1=O)CCN(C(=O)[C@H]1C[C@@H]1C1CC1)C2 328985910 GUSQJJBHQCTPGM-OLZOCXBDSA-N 287.363 1.194 0 50 CDAA CC(C)c1noc(CCC(=O)NC(C)(C)C(=O)O)n1 236862710 SBEWQQNEWDZZNV-UHFFFAOYSA-N 269.301 1.105 0 50 CDAA O=C(CC1CCOCC1)Nc1cc(C(=O)O)ccn1 259262069 TYYVRXIYVHUUGM-UHFFFAOYSA-N 264.281 1.535 0 50 CDAA CCOc1ccc(CCC(=O)N2CC[C@H](C(=O)O)C2)cc1 236920359 VHWLHTHQPGZTEP-ZDUSSCGKSA-N 291.347 1.951 0 50 CDAA CCCc1nnc(C(=O)N(C)Cc2cnc(NC)nc2)o1 71749236 HUETZKQINBYSNF-UHFFFAOYSA-N 290.327 1.126 0 50 CDAA C[C@@H](NC(=O)c1ccoc1)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 174268353 WBDOHDYYSQUUOZ-JLLWLGSASA-N 276.336 1.512 0 50 CDAA CC(=O)N(C)CC(=O)N1CC[C@@H]1c1ccccc1F 374048841 GLQKWMJBKBRVLR-CYBMUJFWSA-N 264.300 1.577 0 50 CDAA Cn1nccc1C1CCN(C(=O)[C@H]2CCCCN2)CC1 237678043 LUZIKYHUBOXTII-CYBMUJFWSA-N 276.384 1.268 0 50 CDAA Cc1cc(C)n2ncc(C(=O)NC3(C(=O)O)CCC3)c2n1 129023353 HWVJMTKKMVFENP-UHFFFAOYSA-N 288.307 1.083 0 50 CDAA CNC(=O)[C@@H]1CN(C(C)(C)C)C[C@H]1C(F)(F)F 334452352 YHMNVLAGDALXKA-HTQZYQBOSA-N 252.280 1.641 0 50 CDAA OCCOc1cncc(N2CC[C@@H](c3ccco3)C2)n1 376969965 YMRWXTKQZHGCRR-LLVKDONJSA-N 275.308 1.435 0 50 CDAA CC1(C)OCC[C@@H]1NS(=O)(=O)c1cn2c(n1)CCCC2 451695053 MPFFLDAWFSDXGT-JTQLQIEISA-N 299.396 1.065 0 50 CDAA Cc1cc(C)cc(C(=O)NC[C@@]2(O)CCCNCC2)c1 72158979 DVUPPLXEPNZEDA-MRXNPFEDSA-N 276.380 1.538 0 50 CDAA C[C@H](NC(=O)N[C@H](C)Cn1cccn1)[C@H]1CCCO1 240668516 HNESQUPUVBIVCY-GRYCIOLGSA-N 266.345 1.138 0 50 CDAA Cc1nnc(CNC(=O)Cc2cc(F)cc(F)c2)o1 215790614 CKBIPHSKSJQPMI-UHFFFAOYSA-N 267.235 1.515 0 50 CDAA C[C@H](NC(=O)c1nc[nH]c1C(=O)O)C1=CCCCC1 215887330 NYIZBULYUJRFHX-QMMMGPOBSA-N 263.297 1.727 0 50 CDAA c1ccc(-c2cc(NCc3nnn[nH]3)n3nccc3n2)cc1 72145345 NCGVTSZSLMBGSF-UHFFFAOYSA-N 292.306 1.522 0 50 CDAA O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cnn[nH]1 72171210 MZLBTZFIJOSDAM-CQSZACIVSA-N 285.351 1.372 0 50 CDAA CC(C)C[C@H](O)C(=O)N(C)CCc1noc(C2CC2)n1 220712779 LLFUUJMJRNGKFZ-NSHDSACASA-N 281.356 1.355 0 50 CDAA O=C(COc1ccc(F)cc1F)N1CC[C@@]2(CCOC2)C1 177004671 IRSVPKOWXWCJDG-OAHLLOKOSA-N 297.301 1.983 0 50 CDAA Cn1cncc1CN1CCN(C(=O)Cc2ccccc2)CC1 177010138 IVHVEUUXUXHJEG-UHFFFAOYSA-N 298.390 1.307 0 50 CDAA O=C(N[C@]1(CO)COc2ccccc2C1)[C@H]1CC=CCC1 529819510 JBZDEPIECUYLPZ-SUMWQHHRSA-N 287.359 1.825 0 50 CDAA NC[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 178593032 HMCSCYBYYWSGLP-LBPRGKRZSA-N 297.358 1.667 0 50 CDAA Cc1cnc2nc(C(=O)N[C@@]3(C)CC=CCC3)nn2c1 616244100 FXKCLHHQSGCSME-AWEZNQCLSA-N 271.324 1.661 0 50 CDAA C[C@@]1(O)CCCN(C(=O)c2ccc(O)c(F)c2)C1 223130128 SXPFYFJELXJNQO-CYBMUJFWSA-N 253.273 1.518 0 50 CDAA O=C(NC[C@@H]1COCCO1)Nc1ccc(Cl)nc1 49210553 KRGVTKITFGTSFW-SECBINFHSA-N 271.704 1.272 0 50 CDAA CCOC(=O)c1ncsc1I 81991223 XMDZWPSEQYJMHL-UHFFFAOYSA-N 283.090 1.924 0 50 CDAA Cc1nnc(SCCCNC(=O)[C@@H](C)N(C)C)s1 426424393 SDBAWIQMKOFBOG-MRVPVSSYSA-N 288.442 1.395 0 50 CDAA COCC[C@]1(CO)CCCN(CC2CCOCC2)C1 91951912 KYAGLHBTYHAIKG-OAHLLOKOSA-N 271.401 1.524 0 50 CDAA N[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 237852792 VIXWGSNECHUFMM-ZDUSSCGKSA-N 268.320 1.317 0 50 CDAA Cc1noc([C@H](C)N(C)Cc2cnn(CCC(=O)O)c2)n1 97819716 JSVSTWBTKLCDOP-VIFPVBQESA-N 293.327 1.242 0 50 CDAA C[C@]1(c2ccccc2)CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)C1 95524617 BLSXBIMRRHZJPI-KRWDZBQOSA-N 299.374 1.617 0 50 CDAA Cc1nc(Cc2c(F)cccc2F)n(CCO)n1 96130938 DGFPAHXZBXVNBC-UHFFFAOYSA-N 253.252 1.448 0 50 CDAA CCCc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)o1 95374545 NIZPEOQWIHONDU-LLVKDONJSA-N 278.356 1.613 0 50 CDAA CCOc1ncccc1[C@@H](C(=O)O)N(C)Cc1ccon1 95374926 YQWURFQZDCPFPY-LBPRGKRZSA-N 291.307 1.726 0 50 CDAA OC12CC3C[C@@H](C1)C(N1CCN4CCC[C@H]4C1)[C@@H](C3)C2 239432908 WVXPVIUIBUGHEW-MGRSAOOTSA-N 276.424 1.706 0 50 CDAA CCc1ccccc1OCCn1ncc(N(C)C)cc1=O 95357493 SHEDJQORUNWYIR-UHFFFAOYSA-N 287.363 1.951 0 50 CDAA CCCn1ccnc1CNc1ncc(F)c(N(C)C)n1 95378992 YJBDRZQUQATSDO-UHFFFAOYSA-N 278.335 1.900 0 50 CDAA Cc1nn(C)c2nc(NCc3cccnc3N)sc12 96148608 ZAYYGUIWJYOOTB-UHFFFAOYSA-N 274.353 1.928 0 50 CDAA C[C@H]1O[C@H](C(Cl)(Cl)Cl)N(CCN(C)C)C1=O 96026576 BCBYNSIATNYIDO-HTRCEHHLSA-N 289.590 1.492 0 50 CDAA Cc1ccc(CNC(=O)CCc2csc(N)n2)o1 97759298 AIIQVKNKALZIOH-UHFFFAOYSA-N 265.338 1.876 0 50 CDAA Cc1ccn2cc(C(=O)NCC3(C)COC3)nc2c1 334166633 ARUMMZBOBUKIPG-UHFFFAOYSA-N 259.309 1.409 0 50 CDAA CC[C@@H](C)[C@H](CO)NC(=O)CCc1cc(Cl)no1 252570621 WYZJRIXDJBRFRT-SCZZXKLOSA-N 274.748 1.784 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 299738632 DHVFRQAMIFCFJN-TZMCWYRMSA-N 299.378 1.467 0 50 CDAA OC[C@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@H]([C@H]1[C@@H]([C@@H]63)[C@H]7%10)[C@H]1[C@H]9[C@H]([C@@H]58)[C@H]4[C@H]12 257355492 AXOZAXWLDZMMJF-ASGAOGOTSA-N 290.406 1.823 0 50 CDAA Cc1nn(CC(N)=O)c(C)c1-c1ccc(C(=O)O)cc1 534587372 QUMCKQIHLPRBBD-UHFFFAOYSA-N 273.292 1.350 0 50 CDAA C[C@H]1Cc2cc(CNC(=O)Cn3ccccc3=O)ccc2O1 534639332 ZNVFSBLLQSYPHT-LBPRGKRZSA-N 298.342 1.488 0 50 CDAA CC(C)OCCN1CCC(Nc2ncc(F)cn2)CC1 269528202 XSRXACUOZXNHOD-UHFFFAOYSA-N 282.363 1.917 0 50 CDAA C[C@H]1CC[C@H](NC(=O)NCc2nnc(O)n2C2CC2)CC1 864095301 CFEDECQPXJKJRT-MGCOHNPYSA-N 293.371 1.697 0 50 CDAA COC[C@@]1(C)CN([C@H](C(=O)O)c2ccc(F)cc2)CCO1 629379989 UTHAWZUBEIFJHM-DZGCQCFKSA-N 297.326 1.689 0 50 CDAA C[C@H](c1ccccc1)c1cc(C(=O)NCCO)on1 299802001 ZOGLQVFXASBXQO-SNVBAGLBSA-N 260.293 1.549 0 50 CDAA COCC1(CNC(=O)[C@H](C)CN2CCCC2)CCC1 824346704 BXCHJVUDAYYNCV-CYBMUJFWSA-N 268.401 1.651 0 50 CDAA CCCS(=O)(=O)NC[C@H](C)NCc1cnc(C)cc1C 584888225 SOAXEZATQTYCFD-ZDUSSCGKSA-N 299.440 1.506 0 50 CDAA Cc1nc(O)c(Cl)c(NCC2(CO)CCOCC2)n1 584897611 WMOWUPMOIDOBAX-UHFFFAOYSA-N 287.747 1.345 0 50 CDAA C[C@H](CN(C)C(=O)C1(C(=O)O)C(C)(C)C1(C)C)C(=O)O 585134655 DWCLHOMZVNEARJ-MRVPVSSYSA-N 285.340 1.303 0 50 CDAA CC(=O)N1CCC[C@@H](Cn2cnc3cccnc3c2=O)C1 584889897 ZCAXXPWOTYLKIZ-GFCCVEGCSA-N 286.335 1.050 0 50 CDAA Cc1csc(CN(C)S(=O)(=O)N2CCCC2)n1 670472275 QIRMEHZFMYJPRB-UHFFFAOYSA-N 275.399 1.224 0 50 CDAA O=C(NCc1cc(O)nc(O)n1)[C@H]1C[C@H]1Cc1ccccc1 869023223 UFMAHYZBMJBRDM-YPMHNXCESA-N 299.330 1.383 0 50 CDAA CCn1ccc(C(=O)N2CCc3occc3[C@H]2C(=O)O)n1 1550379014 UUEDCJVXDBDUOE-LBPRGKRZSA-N 289.291 1.320 0 50 CDAA Cc1ccccc1-c1ccc(CN2CC[C@@H](N)C2)nn1 1875313122 HQQAWABRZYZEIQ-CYBMUJFWSA-N 268.364 1.985 0 50 CDAA CC1(C)CC(NC(=O)CNc2ncccn2)CC(C)(C)N1 1874093731 OYCWULKSDJKKGA-UHFFFAOYSA-N 291.399 1.314 0 50 CDAA Cc1cc(C)nc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)n1 952889819 HLXOJQBWBHFQMO-QWRGUYRKSA-N 274.328 1.401 0 50 CDAA Cc1cc(NC(=O)N[C@H]2C[C@@H](Cn3ccnc3)C2)on1 1875291053 MLLPLUVYYLDCOL-PHIMTYICSA-N 275.312 1.780 0 50 CDAA O[C@@H]1CCCN(CCCNCc2ccc(Cl)o2)C1 952992106 WZDKZDZCBZIOIT-LLVKDONJSA-N 272.776 1.869 0 50 CDAA COCc1nc(C(=O)N2CCC[C@H](C(=O)O)C2)cs1 133072503 LEFRMDDZCDXINA-QMMMGPOBSA-N 284.337 1.226 0 50 CDAA C[C@@H]1CN(c2cc(Cl)c3cnn(C)c3n2)CC(=O)N1C 1774613688 CBWBPKQEPSGKFT-MRVPVSSYSA-N 293.758 1.289 0 50 CDAA COCc1nc(C)cc(N2CCO[C@@H](C3(C)N=N3)C2)n1 1775989548 OYHATKIDIMBPCK-SNVBAGLBSA-N 277.328 1.319 0 50 CDAA Cc1noc(CN2CC(=O)N(Cc3ccccc3)C2=O)n1 1776003409 NPFOWNJQXDYETH-UHFFFAOYSA-N 286.291 1.342 0 50 CDAA CN(CC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 49584982 TWFKYFSKUWRGMN-UHFFFAOYSA-N 272.345 1.402 0 50 CDAA in-vitro Cc1cc(C)c2c(N[C@H]3CC[C@H](N)C3)ncnc2n1 1565529589 VWDJZIVXDSUXDL-QWRGUYRKSA-N 257.341 1.933 0 50 CDAA C[C@H]1CN(CCC(=O)NC2CCCC2)C[C@]1(O)C1CC1 1565509370 MGDIOPRZDMOMLQ-BLLLJJGKSA-N 280.412 1.528 0 50 CDAA CO[C@@H]1C[C@H]2CN(Cc3ncc[nH]3)Cc3cccnc3N2C1 877688751 VPSKGGSRFHNVEI-UONOGXRCSA-N 299.378 1.414 0 50 CDAA CO[C@]1(C(F)(F)C(=O)O)CCN(C(=O)OC(C)(C)C)C1 1535543625 JEHSCTNFJZUKMV-LLVKDONJSA-N 295.282 1.732 0 50 CDAA CN(Cc1ccc(OCC(=O)O)cc1)Cc1cnn(C)c1 581434493 ATIWDNJBLPOGHR-UHFFFAOYSA-N 289.335 1.516 0 50 CDAA C[C@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)c1ccccn1 275265671 IPIGIUJFOVXNSG-QWRGUYRKSA-N 286.335 1.800 0 50 CDAA O=C(NCc1ccco1)c1c[nH]nc1[C@H]1CCOC1 275305650 NUEUGEUSOHXWIB-VIFPVBQESA-N 261.281 1.437 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cscn2)cn1 275611511 QYOSCDDXKFMUAE-QWHCGFSZSA-N 278.381 1.887 0 50 CDAA OC[C@H]1CC[C@H](NC2CCC3(CC2)OCCO3)CC1 186249156 HSPAKMOZPWKZLL-BETUJISGSA-N 269.385 1.813 0 50 CDAA Cn1nccc1N1CCC[C@@H](NC(=O)[C@@H]2[C@H]3CCC[C@H]32)C1 278649852 ZSDMQFQQTOEPKH-CXTNEJHOSA-N 288.395 1.551 0 50 CDAA C[C@](O)(CN[C@H](Cc1ccccc1)C(=O)O)C(F)(F)F 1589148528 VQEIQAQYNQJVCG-PWSUYJOCSA-N 291.269 1.585 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CCCN2C2CCOCC2)C[C@@H](C)O1 170592315 LAAPVYCPAFRECG-VNHYZAJKSA-N 296.411 1.266 0 50 CDAA Cc1cc(=O)[nH]cc1C(=O)N(C[C@H]1CCCN1)C1CC1 186559428 CDOFPABRBPRESO-LLVKDONJSA-N 275.352 1.040 0 50 CDAA O=C(N[C@H]1C[C@@H](CO)C1)[C@H]1COC[C@@H]1c1ccccc1 633832020 BDICAQPSPJFKNI-BEAPCOKYSA-N 275.348 1.304 0 50 CDAA O=C(CN1CSCCSC1)NCCc1ccccn1 585121718 XEKZGJCTMZDOAI-UHFFFAOYSA-N 297.449 1.437 0 50 CDAA CC(C)(O)C1CN(C(=O)NCc2cccc(C(=O)O)c2)C1 635525676 JNPUVFPDBJYDDZ-UHFFFAOYSA-N 292.335 1.297 0 50 CDAA COc1ncccc1CNC(=O)[C@H]1CCCO[C@H]1C 188047418 RGTYXXBSAYJCPI-JQWIXIFHSA-N 264.325 1.522 0 50 CDAA CCOC[C@H]1CCN(C(=O)c2ccc(Cl)nc2N)C1 408522196 FIHLKOSCPWMYLZ-VIFPVBQESA-N 283.759 1.816 0 50 CDAA CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)nc1)C(=O)N(C)C 225510955 MHTQEDYVSZAFNW-CABZTGNLSA-N 297.786 1.968 0 50 CDAA Cn1nccc1[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)C(=O)O 647467525 IYOZMHRAKZIMNT-KCQAQPDRSA-N 285.347 1.939 0 50 CDAA O=C(O)c1cccnc1NCC1(O)Cc2ccccc2C1 647450412 OBLALHKBYZYOSG-UHFFFAOYSA-N 284.315 1.722 0 50 CDAA Cc1cccc(F)c1S(=O)(=O)N1CCNC[C@@H]1C 193248287 GKELFTKXKGJWTJ-JTQLQIEISA-N 272.345 1.117 0 50 CDAA Cc1ccc(Cl)c(S(=O)(=O)NC2CC(CO)C2)c1 660146244 DARFQXUYTFRHSX-UHFFFAOYSA-N 289.784 1.698 0 50 CDAA Cc1ccsc1CNC(=O)CN1CCn2cncc2C1 660578884 SQTHKEGLWRLEQG-UHFFFAOYSA-N 290.392 1.385 0 50 CDAA CCc1nc(N2CC(=O)N(C)C[C@H]2C)c2ccsc2n1 782397931 FZENVDODBUUVDK-SECBINFHSA-N 290.392 1.921 0 50 CDAA Cn1cc2c(n1)CCC[C@@H]2C(=O)NOC1CCOCC1 798992636 QYNTYHATNXWRIF-NSHDSACASA-N 279.340 1.067 0 50 CDAA CCCn1cnnc1CNc1nc(N)nc(C)c1Cl 1529139918 YOIQBAIBICKBKM-UHFFFAOYSA-N 281.751 1.634 0 50 CDAA Cc1ccn2c(NC(=O)c3cc(CC(C)C)[nH]n3)nnc2n1 1529092818 YACDCVJEKXAEOV-UHFFFAOYSA-N 299.338 1.607 0 50 CDAA Ic1ccc(N2CCNCC2)cc1 2529312 CFZRRGPCDUOJHX-UHFFFAOYSA-N 288.132 1.701 0 50 CDAA in-vitro CNC(=O)c1cnn2c(-c3cccnc3)ccnc12 1463947761 MBMIIGDFEASTFA-UHFFFAOYSA-N 253.265 1.151 0 50 CDAA CC(C)(CCCO)CNS(=O)(=O)c1cscn1 521396205 KBZTUGTUFRDVQT-UHFFFAOYSA-N 278.399 1.220 0 50 CDAA CCC[C@]1(C(=O)O)CN(c2ncc(CC)cn2)CC[C@H]1O 1704358577 OHNVZHYNNFHHAY-DOMZBBRYSA-N 293.367 1.481 0 50 CDAA C[C@@]1(c2ccccn2)Nc2ccccc2-c2nnnn21 1615054979 DLSOXOPJKCFKKS-CQSZACIVSA-N 264.292 1.882 0 50 CDAA Cc1ccc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c(C)n1 1615058857 XPAOGUKORPIYJQ-XJKSGUPXSA-N 287.363 1.630 0 50 CDAA CC(=O)c1cnc(N[C@@H](CC(C)C)C(=O)O)nc1C 1772712474 MWFRDFQKEKEFDE-NSHDSACASA-N 265.313 1.899 0 50 CDAA O=C(N[C@@H]1COC2(CCNCC2)C1)c1ccc(F)c(O)c1 1772817769 WXQLXEPVDJBRPW-NSHDSACASA-N 294.326 1.172 0 50 CDAA CCCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 5951507 WFSJUXVSFZJTBO-LBPRGKRZSA-N 260.337 1.956 0 50 CDAA COCCCNC(=O)c1cn(Cc2ccccc2C)nn1 14958957 PQBYHMBUGWQUKO-UHFFFAOYSA-N 288.351 1.401 0 50 CDAA CCOc1ccc(N2C(=O)C[C@@H](SCCN)C2=O)cc1 18142158 JYVSRDOMPMYDMZ-GFCCVEGCSA-N 294.376 1.409 0 50 CDAA O=C(CN1CCNCC1)Nc1ccccc1C(F)(F)F 19976779 LAPHONMHLQUVPN-UHFFFAOYSA-N 287.285 1.549 0 50 CDAA CCC[C@H](CC(=O)O)NC(=O)c1cncc(F)c1 165219388 CNGIDWGTPHECML-SNVBAGLBSA-N 254.261 1.594 0 50 CDAA COc1cnc(C)cc1C(=O)N[C@@H]1CCc2n[nH]cc2C1 1857697315 OXEYFNRUCMHUBX-LLVKDONJSA-N 286.335 1.409 0 50 CDAA O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CCC[C@@H](O)C1 305110746 HFUZIKSKCMSUSU-CHWSQXEVSA-N 282.384 1.645 0 50 CDAA Cc1ccc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1 222493630 XDPNZGDFJMPKSY-SOUVJXGZSA-N 279.380 1.844 0 50 CDAA CC(C)N1CCCC[C@H]1CNC(=O)N1CC[C@@H]([C@H](C)O)C1 110714448 JVMIJQFUEURCEO-ZNMIVQPWSA-N 297.443 1.662 0 50 CDAA Cn1ccnc(SCC(=O)Nc2ccccc2)c1=O 225698840 ZZHMCOLKGXBHGS-UHFFFAOYSA-N 275.333 1.511 0 50 CDAA O=C(NCCCO)NCC12CC3CC(CC(C3)C1)C2 2811837 FURWLOBZISWKHK-UHFFFAOYSA-N 266.385 1.884 0 50 CDAA N[C@H]1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1 237848843 DGABYGNNOFDJOF-DZGCQCFKSA-N 290.363 1.418 0 50 CDAA COC(=O)NCCC(=O)Nc1c(OC)ccc2c1CCC2 252491519 LNVRZKRKPMEKIV-UHFFFAOYSA-N 292.335 1.869 0 50 CDAA COC[C@@H](Cc1ccccc1)N(C)CC(=O)NC1CC1 253397504 BAAORSQMYURRAT-OAHLLOKOSA-N 276.380 1.455 0 50 CDAA Cn1cccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c1=O 262996869 UGSSPISVRGZXLW-NSHDSACASA-N 292.335 1.102 0 50 CDAA COC1(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CCNCC1 163190879 CAWAXKLYZXLLMC-QLFBSQMISA-N 286.375 1.210 0 50 CDAA C[C@H](NC(=O)CCc1ccccc1Cl)[C@H](O)C(=O)O 1875308598 NRMONJQZHSVVEX-UFBFGSQYSA-N 285.727 1.223 0 50 CDAA Cc1ncsc1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704298580 JPIDYXDCJGGRNF-HUUCEWRRSA-N 295.452 1.730 0 50 CDAA CCn1nc(C)c(S(=O)(=O)NCCc2cnoc2)c1C 907383315 ASFGHWCVURVFOJ-UHFFFAOYSA-N 298.368 1.029 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC1CC1 912195425 NPVIZZZANWSCIT-HNNXBMFYSA-N 260.337 1.322 0 50 CDAA C=CC(=O)Nc1ccccc1C(=O)N1CCOCC1 848978982 GAGJVKTTYBJWHA-UHFFFAOYSA-N 260.293 1.284 0 50 CDAA CCNc1cc(CNC(=O)Nc2c(C)cnn2C)ccn1 931890681 KJOUXWHQQOASPD-UHFFFAOYSA-N 288.355 1.877 0 50 CDAA C[C@@H]1Cc2cc(C(=O)N[C@H](CC3CC3)C(=O)O)ccc2O1 851599597 BBNIRGDKEPRAMC-NOZJJQNGSA-N 289.331 1.993 0 50 CDAA O=S1(=O)CCN(CCOc2ccccc2Cl)CC1 20854772 XYLVGUFABKWRLJ-UHFFFAOYSA-N 289.784 1.449 0 50 CDAA C[C@H](O)[C@@H]1CCCCN1CC(=O)N[C@@H]1CCCC[C@@H]1C 229582726 JWTQRGCFTWKXTK-XQLPTFJDSA-N 282.428 1.917 0 50 CDAA CCc1ncnc(N[C@@H](C)C(=O)NC(C)(C)C)c1F 230355358 WUCXERGVWGSBFY-QMMMGPOBSA-N 268.336 1.893 0 50 CDAA O[C@@H]1CCCC[C@@H]1[C@H]1CCCN1Cc1ncccn1 253094199 NDXXNZDEYBDLLL-MGPQQGTHSA-N 261.369 1.992 0 50 CDAA O=C([C@@H]1COc2ccccc2C1)N1CCSCC1 44954975 RYLSXUFZDQTRSG-LBPRGKRZSA-N 263.362 1.813 0 50 CDAA Nc1ncnc(N2CCO[C@@H](c3ccco3)C2)c1Cl 302918693 XYFNDAPOWSKIBX-SECBINFHSA-N 280.715 1.883 0 50 CDAA OC[C@H]1CN(Cc2ccc(Cl)nc2Cl)C[C@@H]1O 316461327 HNKLUUITBQMWRU-BDAKNGLRSA-N 277.151 1.173 0 50 CDAA COc1ccc(OC)c2c1CN([C@H]1CCOC1)C[C@H]2O 328589193 JOJIYYYIPGCIOM-CMPLNLGQSA-N 279.336 1.342 0 50 CDAA CN(C)C(=O)[C@@H]1CCN(C(=O)NC2CCCCC2)C1 334647837 RXCSFZZNAVALMI-LLVKDONJSA-N 267.373 1.439 0 50 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COc1ccc2c(C)c(C(=O)N[C@H]3COC[C@@H]3O)oc2c1 584884792 NYNXUUXLDSAWNP-RYUDHWBXSA-N 291.303 1.239 0 50 CDAA CCN1CCN(C(=O)c2ccc(C)n2C(F)F)CC1=O 584900898 CDBHCXQZOBORPU-UHFFFAOYSA-N 285.294 1.496 0 50 CDAA CCc1nc(CN(C)C[C@@H]2Cc3ccccc3O2)n[nH]1 670460960 CUDMBTKCYJEBAW-LBPRGKRZSA-N 272.352 1.803 0 50 CDAA COCC1(CNC(=O)[C@@H](O)c2cccc(F)c2)CCC1 670439335 IFPJLNYMOXUVDE-ZDUSSCGKSA-N 281.327 1.792 0 50 CDAA O=C(Cc1cnoc1)Nc1ccc2c(=O)[nH]ccc2c1 1875350176 DODDXUORUMHPCE-UHFFFAOYSA-N 269.260 1.697 0 50 CDAA CCOC(=O)c1cnc(N(C)Cc2cn[nH]c2)nc1C 952964429 RDJGTNHEZJMDNM-UHFFFAOYSA-N 275.312 1.321 0 50 CDAA CC(=O)N1CC[C@]2(CN(Cc3ccccc3)C[C@H](C)O2)C1 882584568 PFEVRWJXZFHDKN-YOEHRIQHSA-N 288.391 1.898 0 50 CDAA O=C(NCCN1CCOCC1)c1cc(F)ccc1F 16385258 MCATVKBTEXPUNF-UHFFFAOYSA-N 270.279 1.027 0 50 CDAA CC(C)n1ccnc1C(=O)N[C@H]1C[C@@H](Cn2cncn2)C1 1775996920 NDCFECPMWGOQOX-TXEJJXNPSA-N 288.355 1.264 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](c2nn[nH]c2C(=O)O)C1 1775956203 AYGQQPYXHLBHDP-SSDOTTSWSA-N 282.300 1.227 0 50 CDAA Cc1ccc(O)cc1C(=O)N1Cc2n[nH]cc2[C@@H]1CO 1776005861 KLVVHQFHPIJZOE-ZDUSSCGKSA-N 273.292 1.113 0 50 CDAA Cc1ncsc1CN[C@H]1CCO[C@@H]1c1nccn1C 275676707 VZAMEOMYGNTZHC-JQWIXIFHSA-N 278.381 1.805 0 50 CDAA CC[C@@H]1CCCC[C@@H]1CN1CCC2(CC1)NC(=O)NC2=O 583650794 BIAFTEHYGYSCCT-CHWSQXEVSA-N 293.411 1.877 0 50 CDAA CN1C[C@@H](NC(=O)C2(C)COC2)CC[C@@H]1C(F)(F)F 583620061 RGCDJGSQAJFURW-DTWKUNHWSA-N 280.290 1.164 0 50 CDAA CC1(C)OC(=O)c2c1ccnc2N1C[C@@H](F)C[C@H]1CO 583617612 LXWQXZFEIHUJMY-IUCAKERBSA-N 280.299 1.396 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2oc(C)nc2C)C1(C)C 170090063 IIBYKLWHPKLWGZ-XHDPSFHLSA-N 296.367 1.587 0 50 CDAA COCCOc1cccc(C(=O)N(C[C@@H](C)O)C2CC2)c1 585091133 CKKZJHMOZWWQGZ-GFCCVEGCSA-N 293.363 1.697 0 50 CDAA NC(=O)c1nc(-c2ccc(N3CCCCC3)nc2)no1 585139362 NCPGFBOMCXPJBC-UHFFFAOYSA-N 273.296 1.221 0 50 CDAA Cn1cc([C@@H]2CN(C(=O)Cc3cc[nH]n3)CC2(C)C)cn1 519649794 OELRBRNLTIUPTE-ZDUSSCGKSA-N 287.367 1.338 0 50 CDAA O=C(N[C@H]1CCn2ccnc2C1)c1coc(C2CCC2)n1 683501302 SKVIQAHPZCBWGE-NSHDSACASA-N 286.335 1.883 0 50 CDAA COc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)O)n1 221516422 HFCUHBHVYAFRHH-LBPRGKRZSA-N 287.319 1.901 0 50 CDAA CC(C)CCNC(=O)[C@@H](C)N1CCC[C@@H](C(=O)O)C1 222640275 BBSGIUADHNMVDC-VXGBXAGGSA-N 270.373 1.334 0 50 CDAA COc1cccc(-c2cn(CCn3ccnc3C)nn2)n1 640986540 WTOLFEVIRIQKBU-UHFFFAOYSA-N 284.323 1.554 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCN1Cc1cnc2ccccn12 189793550 WHWQBIOEUQARAE-CQSZACIVSA-N 286.379 1.681 0 50 CDAA CN(C(=O)Cc1noc2ccccc12)c1ncccn1 225553252 LZDDBYOOYIKIBK-UHFFFAOYSA-N 268.276 1.823 0 50 CDAA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C1(SC)CC1)CC2 190485448 KAKIRUFHYPQDAU-VXGBXAGGSA-N 299.436 1.661 0 50 CDAA Cc1cccc(C(=O)N[C@H](C)C(=O)O)c1Br 190992926 YIJMFTFADCJIAX-SSDOTTSWSA-N 286.125 1.960 0 50 CDAA CC[C@H](C(=O)O)N1CCCN(C(=O)c2ccsc2)CC1 191409971 SWPOKJFTADRQGN-GFCCVEGCSA-N 296.392 1.759 0 50 CDAA Cn1cc(Cl)cc1C(=O)N[C@H](CC(=O)O)C(F)(F)F 710748413 OUTZGOKVOHHNLG-SSDOTTSWSA-N 298.648 1.814 0 50 CDAA C[C@@H](CC(=O)N1CCC[C@@H]1c1cccnc1)NC(N)=O 654419487 ZCEWJVQXUBGREM-CMPLNLGQSA-N 276.340 1.192 0 50 CDAA O=C(c1cnc(O)c2ccccc12)N1CC[C@@]2(CCNC2)C1 573204222 OWWGQNMPMSNFNP-QGZVFWFLSA-N 297.358 1.766 0 50 CDAA O=c1n(Cc2ccc3cnccc3c2)nnn1C1CC1 1189449308 DCBPZJPDCDBYGX-UHFFFAOYSA-N 267.292 1.371 0 50 CDAA Cc1nc(C)n([C@@H]2CCCN(c3nnc(C)o3)C2)n1 672209665 XWZVFTNBNLSQJR-LLVKDONJSA-N 262.317 1.428 0 50 CDAA Cc1cnc(C2CCN(C(=O)C3=NNC(=O)C3)CC2)s1 762916905 CIXSOGWFWSKHOE-UHFFFAOYSA-N 292.364 1.033 0 50 CDAA O=C(NOc1ccccc1)[C@H]1COc2ccccc2O1 773465534 FURAVTTZCMNZSE-CQSZACIVSA-N 271.272 1.937 0 50 CDAA C=CC(=O)NCCC(=O)N1CC[C@@H]2CC[C@@]21c1cccnc1 888824892 CTUYMRVCUXHEOG-GUYCJALGSA-N 299.374 1.612 0 50 CDAA CN(CC[C@@H]1CCCCO1)C(=O)CCc1cn[nH]c1 1506399181 KMHIOGFIJJXZFU-ZDUSSCGKSA-N 265.357 1.760 0 50 CDAA C[C@H](C(=O)Nc1nccn1C)n1cnc2ccccc2c1=O 1506427557 MWWNYIWJXNKGHZ-SNVBAGLBSA-N 297.318 1.330 0 50 CDAA Cc1nn[nH]c1C(=O)N1CCC[C@H]1c1nc(C(C)C)no1 1506417011 JKSNZDUIMXGBJB-VIFPVBQESA-N 290.327 1.597 0 50 CDAA CCCCN(Cc1ccncc1)C(=O)c1n[nH]c(O)n1 1506396181 HLLRJBDWWLSFCT-UHFFFAOYSA-N 275.312 1.348 0 50 CDAA CCCO[C@@H]1CCCN(c2cc3nncn3c(N)n2)C1 1529126420 JDUKYZMOFPCCPO-SNVBAGLBSA-N 276.344 1.102 0 50 CDAA C[C@@H](O)CN(C)C(=O)Cc1cccc(C(F)(F)F)n1 820002365 OKYXVVVUCCTYJD-MRVPVSSYSA-N 276.258 1.482 0 50 CDAA C[C@H](CN(C)c1cc(Br)ccn1)c1nn[nH]n1 1857533010 RLMOHMTYZGEYPN-SSDOTTSWSA-N 297.160 1.597 0 50 CDAA COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cccs1 466594 LGTOSFDVWHALAM-TWGQIWQCSA-N 296.373 1.321 0 50 CDAA O=C(O)Cc1ccc(I)cc1 156360 FJSHTWVDFAUNCO-UHFFFAOYSA-N 262.046 1.918 0 50 CDAA in-vitro Clc1nc(N2CCCC2)nc(N2CCCC2)n1 344277 KFYSUMDKLIXYMB-UHFFFAOYSA-N 253.737 1.725 0 50 CDAA in-vitro CCCCc1ncc(CN(CCO)Cc2ncc[nH]2)[nH]1 1704330007 SQPFBAVFDNWWJE-UHFFFAOYSA-N 277.372 1.470 0 50 CDAA CN[C@H](CC(C)(C)C)C(=O)NCc1nonc1C 829865211 JBGOCBLERLDHLZ-SECBINFHSA-N 254.334 1.018 0 50 CDAA C[C@H](N(C)C(=O)NC[C@H]1COCCO1)C1(C)CC1 408418668 ATTMLVPQGPMLRA-QWRGUYRKSA-N 256.346 1.232 0 50 CDAA CC[C@H]1CCN(C(=O)NCC2(CS(C)(=O)=O)CC2)C1 121805157 AQTWLQZZFWQEKJ-NSHDSACASA-N 288.413 1.253 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)N1 12404701 RAWZQCKUGRNZKM-VIFPVBQESA-N 256.664 1.696 0 50 CDAA in-vitro COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cn(C(C)C)cn1 344815423 UDKGXWOTRDVIBY-NWDGAFQWSA-N 281.356 1.340 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)N(C)Cc1cccnc1 1615044717 SFHRSERWOGTOFI-CHWSQXEVSA-N 263.341 1.648 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)N3CCC(F)(F)CC3)C[C@H]21 1615000618 AELVSVCJIGOORJ-UKKRHICBSA-N 258.312 1.618 0 50 CDAA COc1nnc(Cl)cc1I 32916899 AWEZJAIGNOXBAI-UHFFFAOYSA-N 270.457 1.743 0 50 CDAA in-vitro CNCc1nnc(NCc2cn3c(C)c(C)sc3n2)o1 1772707978 AAIPJBLMHBJQIK-UHFFFAOYSA-N 292.368 1.727 0 50 CDAA CN1C[C@H](CN2CC(Oc3ccccc3)C2)CCC1=O 1775983212 ZJMLRSGCWFXZPI-CYBMUJFWSA-N 274.364 1.618 0 50 CDAA CC(C)CS(=O)(=O)N1CCC(c2ccnc(O)c2)CC1 1772704198 SAAOQBYIGRLXSJ-UHFFFAOYSA-N 298.408 1.952 0 50 CDAA COCCN(C)C(=O)c1coc(COc2ccccc2)n1 12111976 CRIDYPTZLONWSW-UHFFFAOYSA-N 290.319 1.972 0 50 CDAA COCCNC(=O)[C@H](C)Oc1ccccc1Cl 12380677 BVXGASYPERNJOD-VIFPVBQESA-N 257.717 1.870 0 50 CDAA CCC[C@@]1(CO)CN(C(=O)c2ccoc2C)CC[C@H]1O 1857722033 CSVLQVQDPXFDRT-HIFRSBDPSA-N 281.352 1.574 0 50 CDAA CCCn1cnc(NC(=O)Cc2cn3ccsc3n2)n1 1875245773 PYYMSKWSIQWOCW-UHFFFAOYSA-N 290.352 1.579 0 50 CDAA CCCc1cc(CNC(=O)[C@H]2CC[C@@H](N)[C@H](OC)C2)on1 1875250301 NGAISZJJYWNMPJ-ZLKJLUDKSA-N 295.383 1.386 0 50 CDAA COc1ccc(CCNc2nccc(=O)[nH]2)cc1OC 2610280 MBOGRQMXZKYNBK-UHFFFAOYSA-N 275.308 1.442 0 50 CDAA COc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)ccc1Cl 659175278 VPJVGMOHNGPUKU-KOLCDFICSA-N 299.710 1.321 0 50 CDAA O=C(NCCCN1CCOCC1)c1ccccc1Cl 19419620 PXZFSJNZZIJULN-UHFFFAOYSA-N 282.771 1.792 0 50 CDAA CC[C@@H](C(=O)Nc1nccs1)N1CCO[C@H](CC)C1 253404981 GJPOSNYFGQNCCG-MNOVXSKESA-N 283.397 1.971 0 50 CDAA C[C@@H](N)[C@@H]1CCN(c2ncc(C(N)=O)cc2Cl)C1 1875280728 GTWMFLORWCOCNN-HTQZYQBOSA-N 268.748 1.007 0 50 CDAA CNc1ccccc1CN[C@@H]1CCc2c(nnn2C)C1 902615583 FTGAKNYARGHXLQ-GFCCVEGCSA-N 271.368 1.504 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cccn1 252338875 IYXPHCMVVROUIM-TUAOUCFPSA-N 277.324 1.127 0 50 CDAA CCN(CC)CCCN1CCS[C@H]2COCC[C@H]21 230245963 KTIGGKYQQKSBSF-KGLIPLIRSA-N 272.458 1.925 0 50 CDAA C[C@]1(CO)CCCN1C(=O)c1c(O)cccc1F 125096347 QOYXVSYANUHIEJ-CYBMUJFWSA-N 253.273 1.518 0 50 CDAA CS[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)O)C1 237403220 WKFRFNLDEJDJKH-VHSXEESVSA-N 259.371 1.841 0 50 CDAA Cc1noc2ncc(C(=O)N3CCC[C@H](CN)C3)cc12 237640534 SKBLJYFHDLZRQW-SNVBAGLBSA-N 274.324 1.342 0 50 CDAA NC1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 237852846 KRYIEEWVGDIUMH-UHFFFAOYSA-N 270.336 1.436 0 50 CDAA CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CCCS1 259855613 MVTRSHZLRSZPIN-VHSXEESVSA-N 289.422 1.389 0 50 CDAA O=C(Cc1cccnc1)N1CCC([C@@H]2CCNC2)CC1 290065301 HXHGECYLGYBLCQ-OAHLLOKOSA-N 273.380 1.472 0 50 CDAA O=C(CC(F)(F)F)N1CCCC[C@@H]1c1nc[nH]n1 181175068 ACXBFSDQGHVTKS-SSDOTTSWSA-N 262.235 1.811 0 50 CDAA Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)n1C 181358810 OGAOWKIONJLFCF-LLVKDONJSA-N 273.340 1.819 0 50 CDAA N=c1[nH]cc(C(=O)NC2(CC(=O)O)CCCCC2)s1 426500055 FSOLVRYNKYEVDC-UHFFFAOYSA-N 283.353 1.463 0 50 CDAA CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1C=CCN1 534584470 BYXNIWHWOFAHKB-NSHDSACASA-N 273.361 1.783 0 50 CDAA O=C(O)c1cccc(CN2CC(N3CCCCC3)C2)n1 534645975 FTVRORNZYCQTGR-UHFFFAOYSA-N 275.352 1.450 0 50 CDAA CC(C)n1ccnc1CN1C(=O)OC(C)(C)C1=O 95505958 HKUGXLLGBVMAAG-UHFFFAOYSA-N 251.286 1.721 0 50 CDAA CC(C)n1nccc1C(=O)N1CC[C@](C)(C(=O)O)C1 827207310 PDHXPXANWRZIEM-ZDUSSCGKSA-N 265.313 1.401 0 50 CDAA Cc1cc(C)nc(NC[C@H](C(=O)O)C2CCOCC2)n1 863732760 CWFBKIHRAWEYOK-LBPRGKRZSA-N 279.340 1.633 0 50 CDAA Cc1cc(C)cc(C2(C(=O)N[C@@H](C)[C@H](O)C(=O)O)CC2)c1 2325792222 MTLGUJZHHIDVPB-AAEUAGOBSA-N 291.347 1.285 0 50 CDAA CN1CCOc2cccc(N[C@@H]3CO[C@@H](CO)C3)c21 2325801648 QNMMZZSHAGYZGD-WDEREUQCSA-N 264.325 1.077 0 50 CDAA CC[C@H](C)CC(=O)C(=O)NCCC(=O)NC1CCCCC1 2325813745 AOAIHKBEIXAKRM-LBPRGKRZSA-N 296.411 1.947 0 50 CDAA O=C1CC[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)N1 183996 ROYJMCBMLYHAFR-VIFPVBQESA-N 272.226 1.923 0 50 CDAA CC(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 302386 QFJIQRJGSMLNDF-IONNQARKSA-N 250.220 1.646 0 50 CDAA O=C(OCCn1cnc2ccccc2c1=O)c1ccncc1 389057 DJAAJMOYFANHTL-UHFFFAOYSA-N 295.298 1.649 0 50 CDAA CC[C@H](C)NC[C@@H](O)COc1cccc(OC)c1 2451795 DKKSGKTWOPLXOM-NWDGAFQWSA-N 253.342 1.823 0 50 CDAA CCN1CCC(N[C@H]2CCO[C@@H]2c2ccnn2C)CC1 344268813 XDPGFLHVOOMVJM-ZFWWWQNUSA-N 278.400 1.324 0 50 CDAA Cc1cccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)c1 2889457 BWWCEFJLVLTEJB-NSHDSACASA-N 271.338 1.383 0 50 CDAA CCC[C@@H](C)CN1CCC(n2cc(CCO)nn2)CC1 55370767 ZQKRCYBJAIWVEL-CYBMUJFWSA-N 280.416 1.886 0 50 CDAA NC(=O)NCc1nc([C@H]2CCOC2)nn1C1CCCCC1 102533379 CHAJHJRDKVFJLQ-JTQLQIEISA-N 293.371 1.456 0 50 CDAA CCn1cc(CCN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cn1 348479435 ODMPZZMQALVNQB-BZUAXINKSA-N 293.411 1.307 0 50 CDAA O[C@@H]1CCN(c2ccnc(NCc3ccncc3)n2)C1 65384232 MXCKEGJHQWVYQD-GFCCVEGCSA-N 271.324 1.055 0 50 CDAA Cc1cnc(N(C)CCCc2nccn2C)nc1N(C)C 65407362 PJHXPWROPOXWTN-UHFFFAOYSA-N 288.399 1.654 0 50 CDAA CCc1ccc(CN2CC[C@H](CNC(C)=O)C2)nc1 67804820 JNIKSZJXEVYCCE-CQSZACIVSA-N 261.369 1.602 0 50 CDAA CC(C)(CNc1cncc(Br)c1)C(N)=O 230900197 FIRXPMLASLEERW-UHFFFAOYSA-N 272.146 1.768 0 50 CDAA O=C1CC2(CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)CN1 67821502 MJSGFFACLAIAKQ-UHFFFAOYSA-N 297.358 1.910 0 50 CDAA O=C(CO)NCC[C@H]1CCCN(Cc2cccc(O)c2)C1 67803831 AEPFIHJGCUHVDO-CYBMUJFWSA-N 292.379 1.103 0 50 CDAA CN1CCN(C(=O)CCc2ccncc2)C[C@H]1c1ncc[nH]1 328626191 LLYDWGKOXAFIBE-AWEZNQCLSA-N 299.378 1.253 0 50 CDAA CC[C@@H]1C(=O)NCCN1Cc1nc2cc(F)ccc2o1 151622035 WPJOIJUFLRLONQ-LLVKDONJSA-N 277.299 1.677 0 50 CDAA CCC[C@@H](C)CN1CCO[C@H](CN(C)CC(=N)O)C1 328654769 XULYPODCHFMBOY-CHWSQXEVSA-N 271.405 1.590 0 50 CDAA C[C@@]1(NCC(=O)O)CCN(CCc2cccs2)C1 328604639 KMFJIEHOYDGIPG-CYBMUJFWSA-N 268.382 1.429 0 50 CDAA COc1cc(CN2CCO[C@H](C)[C@H]2C(N)=O)ccc1C 284528162 GJUKPZMJPPAKIC-RISCZKNCSA-N 278.352 1.078 0 50 CDAA COC[C@@H]1CN(Cc2cnc3cnccn23)CC(C)(C)O1 284530359 KZCPBTULVUPFQP-ZDUSSCGKSA-N 290.367 1.355 0 50 CDAA Cc1nccn1-c1cncc(N[C@H]2CCO[C@@H]2C2CC2)n1 329154113 UOCDLLFPJRWWQX-SWLSCSKDSA-N 285.351 1.950 0 50 CDAA CC(=O)N(c1nc(Cn2ccnn2)cs1)C1CC1 329236727 JRRBJLZUUZBLGM-UHFFFAOYSA-N 263.326 1.298 0 50 CDAA CCOC(=O)CS(=O)(=O)c1ncc(Cl)cc1Cl 1392483 KIRILKNUGJTXBA-UHFFFAOYSA-N 298.147 1.725 0 50 CDAA O=C(CCCc1ccccc1)NCCn1cncn1 219916119 ZQGYZXNVVXIEBK-UHFFFAOYSA-N 258.325 1.417 0 50 CDAA C[C@H]1C[C@H]1C(=O)NCC1(N2CCCCC2)CCOCC1 363513797 IPILCFGOZCLCLF-UONOGXRCSA-N 280.412 1.794 0 50 CDAA CO[C@H](C(=O)N(C)C[C@@H]1CCCN1C)c1ccc(O)cc1 331232276 AFXRUNVJNDXZMU-ZFWWWQNUSA-N 292.379 1.632 0 50 CDAA COC[C@@H]1CCCN1Cc1cccc(OCC(N)=O)c1 215603587 LIRPDWWEDXDLBM-ZDUSSCGKSA-N 278.352 1.162 0 50 CDAA COc1cccc([C@H](C)C(=O)N2CCC[C@H]2C(=O)O)c1 155808683 NPOQVARSPVUANH-GWCFXTLKSA-N 277.320 1.874 0 50 CDAA CN(C)c1noc(CN2CCCc3occc3C2)n1 367993044 HZPCFIKHCIFXGF-UHFFFAOYSA-N 262.313 1.677 0 50 CDAA Cc1cccc([C@H](NC(=O)[C@@H]2CCCOC2)C(=O)O)c1C 262980329 JKOVLKFKIBNLRA-OCCSQVGLSA-N 291.347 1.972 0 50 CDAA O=C(c1cc(-c2ccccc2)no1)N1C[C@@H](F)C[C@H]1CO 334446160 KJUDXYKDZKLFQJ-RYUDHWBXSA-N 290.294 1.887 0 50 CDAA CCc1[nH]ccc1C(=O)NC1(C(N)=O)CCCCC1 285183768 UXMJEMFNDIOHSJ-UHFFFAOYSA-N 263.341 1.495 0 50 CDAA CCOC1(CNC(=O)/C=C/CN(C)C)CCCC1 493030271 WYCVGXBXIDSHBO-BQYQJAHWSA-N 254.374 1.570 0 50 CDAA Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H]2CC(=O)O)n1 262908357 JHFZDWSQRIUWPY-CHWSQXEVSA-N 293.367 1.917 0 50 CDAA CN1CCC[C@H](CNC(=O)CO)[C@H]1c1ccccc1 375575669 ABGATZWYMZCSQN-UKRRQHHQSA-N 262.353 1.178 0 50 CDAA COC(=O)c1ccnc(NCc2cnn3cccnc23)c1 32520264 ADBRLVDFHQAKKA-UHFFFAOYSA-N 283.291 1.523 0 50 CDAA Cc1cccc(-c2cncc(C(=O)N[C@H]3CNC(=O)C3)c2)c1 335706179 BZMBZDJVLDLQAR-OAHLLOKOSA-N 295.342 1.675 0 50 CDAA CC(C)(O)C(=O)N1CCC[C@](O)(C(F)(F)F)CC1 377085627 BLDNFEWRDKGDSE-SNVBAGLBSA-N 269.263 1.063 0 50 CDAA Cc1cc(NCCCn2cnnc2)n2nc(C)c(C)c2n1 72428962 GGGUUFGWXYLNKA-UHFFFAOYSA-N 285.355 1.748 0 50 CDAA C[C@@]1(C(=O)N2CCC[C@@H](OCC3CC3)C2)CCC(=O)NC1 239619562 BFNHPGPLLACCIF-CZUORRHYSA-N 294.395 1.320 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CO[C@H](C(=O)Nc1cccc2c1CNC2)c1cnn(C)c1 1649058756 SMOFERACCDEJMH-AWEZNQCLSA-N 286.335 1.350 0 50 CDAA CCC1(NC(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)COC1 1857529683 AUDPAHSOWIVCLD-BDAKNGLRSA-N 279.340 1.341 0 50 CDAA Nc1cncc(N2CCC([C@H](O)c3cccnc3)CC2)n1 1857679025 UVMWAAHFTJSYGO-HNNXBMFYSA-N 285.351 1.404 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1cccc2c1OCO2 122111179 QYJJZFYSRICRRD-ZYHUDNBSSA-N 276.336 1.757 0 50 CDAA Cc1cccn2cc(CNC(=O)[C@](C)(O)C3CCC3)nc12 362762074 FFEOHHKXOGYCRY-MRXNPFEDSA-N 287.363 1.810 0 50 CDAA CCOC(=O)c1cc(C(=O)OCC)c(CC)[n+]([O-])c1CC 200384591 BYJSUAJCLZASNP-UHFFFAOYSA-N 295.335 1.798 0 50 CDAA in-vitro Cc1cc(N2CC(CC(N)=O)C2)nc(-c2cccs2)n1 413271649 SHTQRCSNJYQWCU-UHFFFAOYSA-N 288.376 1.825 0 50 CDAA COc1ccc(-c2cncc(C(=O)N3CC[C@@H](N)C3)c2)cc1 132325422 DULUWTQCLDNCKQ-OAHLLOKOSA-N 297.358 1.930 0 50 CDAA CN(CC(=O)NC1CC1)C(=O)Cc1cncc2ccccc12 585141054 OYSIMXLAJGOTGA-UHFFFAOYSA-N 297.358 1.514 0 50 CDAA COc1ccc(NC(=O)N2CC[C@](C)(C(=O)O)C2)c(C)n1 263019750 IYIWRPATPRTNRT-AWEZNQCLSA-N 293.323 1.727 0 50 CDAA Cc1nc(CNC(=O)[C@@H]2CCCOC2)nc2ccccc12 589913165 DHUXWRNPHZKUFD-GFCCVEGCSA-N 285.347 1.981 0 50 CDAA O=C(c1ccc[nH]1)N1CCC(C2CCNCC2)CC1 1857727984 IMJZZUYYCHJVIG-UHFFFAOYSA-N 261.369 1.867 0 50 CDAA C=CC(=O)N(C)CC(=O)N1C[C@H](C)c2ccccc21 858520963 YAUASOVNOPEMNQ-NSHDSACASA-N 258.321 1.781 0 50 CDAA CCn1cc(CN2CCc3ccccc3[C@H]2C(=O)O)nn1 903707587 ZNSOGYKHKVXZSM-AWEZNQCLSA-N 286.335 1.482 0 50 CDAA CCCc1nc(C(=O)N2CCOC[C@H](C(=O)O)C2)cs1 1772813069 UWAZXQZCVWTWNW-SECBINFHSA-N 298.364 1.269 0 50 CDAA CCc1onc(C)c1CNC(=O)Nc1cn(C)nc1OC 931051640 RSRLTLXIAWYFRS-UHFFFAOYSA-N 293.327 1.609 0 50 CDAA Cc1ncsc1CCNC(=O)Nc1nnn(C(C)C)n1 933459719 PYUNULJXNZVAHF-UHFFFAOYSA-N 295.372 1.383 0 50 CDAA Cc1ccc(C(=O)NCC(=O)NCc2cccn2C)cc1 1144878287 GIPCIBGSSJWRRE-UHFFFAOYSA-N 285.347 1.380 0 50 CDAA NNc1nc(Nc2ccccc2)nc(N2CCCC2)n1 310293 JZCPSFLVZJNMOV-UHFFFAOYSA-N 271.328 1.501 0 50 CDAA C[C@H]1CNCCN1C(=O)[C@@H]1CCOc2ccccc21 111188996 DGIVSORBBMSFHR-WCQYABFASA-N 260.337 1.373 0 50 CDAA C[C@@H](O)C[C@H]1CCCCN1C(=O)Cc1cnn(C)c1 279764660 MFZYDZLNRFUWLS-DGCLKSJQSA-N 265.357 1.115 0 50 CDAA C[C@H]1COCC[C@@H]1NCc1ccc(S(C)(=O)=O)cc1 191752796 MDAWBTPEJDIOLW-FZMZJTMJSA-N 283.393 1.605 0 50 CDAA N=c1[nH]cc(C(=O)NCCCOC2CCCC2)s1 534674599 OVCMYMYVQMORMM-UHFFFAOYSA-N 269.370 1.635 0 50 CDAA COc1ccc(CN2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1OC 368352029 NOSGNJZVJNGHHG-ITGUQSILSA-N 263.337 1.374 0 50 CDAA CCc1nc[nH]c1C(=O)Nc1cc2c(cn1)OCCO2 2325770105 CRLZJPUQPKSHJW-UHFFFAOYSA-N 274.280 1.391 0 50 CDAA Cn1cc(NC(=O)C[C@@H]2CO[C@@H](CN)C2)c(C(F)F)n1 2325780341 ZKTJRNFRWAEMRC-HTQZYQBOSA-N 288.298 1.050 0 50 CDAA CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCS2)C[C@H]1C(=O)O 2325784553 STSGGUKNKHZDIC-AXFHLTTASA-N 271.382 1.697 0 50 CDAA O=C(O)C1=NO[C@H](CNC(=O)c2ccccc2Cl)C1 170245 SOUMEGUWYCUZRB-ZETCQYMHSA-N 282.683 1.299 0 50 CDAA Cc1ccc(S(=O)(=O)CCc2nnc(N)s2)cc1 197426 CFYGMOYWXOCYTD-UHFFFAOYSA-N 283.378 1.445 0 50 CDAA CC(=O)N(CCCN(C)C)Cc1ccc2c(c1)OCO2 2144787 ZYWXJSUOIXEMLP-UHFFFAOYSA-N 278.352 1.716 0 50 CDAA biogenic O=C(O)CC[C@H]1NC(=S)N(Cc2ccccc2)C1=O 2584889 KADCBAPDPZQMFI-SNVBAGLBSA-N 278.333 1.137 0 50 CDAA COc1nccn2c(-c3ccc4c(c3)CN(C)C4=O)cnc12 2356159601 ITRRPSAMBLPYJL-UHFFFAOYSA-N 294.314 1.991 0 50 CDAA COCCNC(=S)NC(=O)c1cccc(C)c1 2865634 QQWKUJIMPDCGPP-UHFFFAOYSA-N 252.339 1.246 0 50 CDAA Cc1ccccc1NC(=O)N1CCC[C@H](C(N)=O)C1 2888566 AIEHCHWAPRSECY-NSHDSACASA-N 261.325 1.724 0 50 CDAA O=C1NCCC[C@@]12CCCN2Cc1nc2ncccc2o1 2356165090 SRDYBTOTWXBRDG-OAHLLOKOSA-N 286.335 1.467 0 50 CDAA Fc1ccc(-c2nc(N3CCOCC3)n[nH]2)c(F)c1 2356166579 DTJDUTOBQGELTQ-UHFFFAOYSA-N 266.251 1.587 0 50 CDAA CC(=O)Nc1cc(C(=O)O)c(Br)cn1 4362882 CLUSCTBEWDBHAY-UHFFFAOYSA-N 259.059 1.501 0 50 CDAA CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1cccs1 4487977 HZOMDZWZRYIJKH-UHFFFAOYSA-N 296.373 1.672 0 50 CDAA CC(C)C[C@@H](CCC(=O)N1CCOCC1)C(=O)O 4855429 NCWYALANJRJTTP-LLVKDONJSA-N 257.330 1.372 0 50 CDAA CCC[C@@H](NCCCn1cc(CO)nn1)[C@@H]1CC1(C)C 417324563 ALXARJJPRNBFAO-UONOGXRCSA-N 280.416 1.965 0 50 CDAA Cc1nc2n(n1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2 8738402 TWODZUVLHIQNBG-JTQLQIEISA-N 271.280 1.109 0 50 CDAA C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1c[nH]nn1 118985729 FADNYNMDTALVPK-TVQRCGJNSA-N 272.308 1.269 0 50 CDAA CC(C)(C)OC(=O)N1CCN2C[C@H](CO)CC[C@H]2C1 104850035 UKFJLHLYPJBMCY-NEPJUHHUSA-N 270.373 1.310 0 50 CDAA CC(C)CN1CCO[C@H](CCNC(=O)c2ccc[nH]2)C1 67804574 JPZWZLJLTBKUHH-CYBMUJFWSA-N 279.384 1.491 0 50 CDAA C[C@H](CCn1cccn1)N1CCn2nc(C(=O)O)cc2C1 65385585 MVQJGONYKKMYSF-LLVKDONJSA-N 289.339 1.072 0 50 CDAA COc1cc(C[C@H](C)N2CCN(C)CC2)ccc1O 22916997 UOFSOAVLFXFWPT-LBPRGKRZSA-N 264.369 1.579 0 50 CDAA Cc1nc(CC(=O)N[C@H](C)CCn2cccn2)cs1 65422924 TZIKLHYTLDDNBA-SNVBAGLBSA-N 278.381 1.786 0 50 CDAA O=C1NC(=O)[C@]2(CCOc3ccc(Cl)cc32)O1 26479960 MKEKVTYZTKVMKC-LLVKDONJSA-N 253.641 1.584 0 50 CDAA Cn1c(CNC(=O)N2CCC[C@@H]2CO)nc2ccccc21 172469410 LSMSYNAKLHMCTH-LLVKDONJSA-N 288.351 1.240 0 50 CDAA C[C@@H](CCc1ccco1)NC(=O)c1ccc(=O)n(C)c1 65491476 CSRQWSUSPUTJPD-NSHDSACASA-N 274.320 1.729 0 50 CDAA C[C@@H](c1ccccn1)N(C)C(=O)CN1CCOC1=O 67804359 GSEMELRUAODHBC-JTQLQIEISA-N 263.297 1.053 0 50 CDAA CCCN(CCN1CCCCCC1)S(=O)(=O)NC 331987363 NCWXSBZZJCDCKL-UHFFFAOYSA-N 277.434 1.039 0 50 CDAA CCCC(=O)NCC(=O)Nc1ccc2nc(S)[nH]c2c1 121819645 PCWZESRTTGELTJ-UHFFFAOYSA-N 292.364 1.706 0 50 CDAA NC[C@H](c1ccccc1Cl)N1CC[C@H](C(=O)O)C1 35622878 YTGVQIOLIBQSHG-JOYOIKCWSA-N 268.744 1.746 0 50 CDAA CCN1CC[C@H](CNC(=O)Nc2ccc(F)cn2)C1 360397411 OLEHEIGXBOLTFY-SNVBAGLBSA-N 266.320 1.684 0 50 CDAA O=C(O)c1cc(-n2cc(CCO)cn2)ccc1F 67771283 QSXAZTQIWPSHLY-UHFFFAOYSA-N 250.229 1.244 0 50 CDAA C[C@@H]1CCCN(Cc2nnnn2C(C)(C)C)[C@H]1CCO 521398722 CKYVFWBXAWIZNC-NEPJUHHUSA-N 281.404 1.411 0 50 CDAA O=C(Nc1ccccn1)[C@@H]1COCCN1CC(F)(F)F 283091970 BSKPDNUCZJTPAN-VIFPVBQESA-N 289.257 1.283 0 50 CDAA C[C@@H]1CNCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 124658738 ORMDJUHGLYAKOR-OGOUPESXSA-N 272.348 1.455 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)c1cccc(C(C)=O)c1 219812114 VBFRWILSYVDOOS-JTQLQIEISA-N 286.335 1.992 0 50 CDAA N=C(O)[C@]1(O)CCCN(C(=O)CCc2ccoc2)C1 330551617 CRVHKSJUQKACEN-ZDUSSCGKSA-N 266.297 1.101 0 50 CDAA CC(C)OC[C@H]1CN(Cc2cnc3[nH]ccnc2-3)CCO1 368215488 MMDCDTCHVAXAFJ-CYBMUJFWSA-N 290.367 1.535 0 50 CDAA Cc1c(C(=O)N2CC[C@@H](N)C2)cnn1C(C)(C)C 132229015 PNLJRQXISNLVTA-SNVBAGLBSA-N 250.346 1.120 0 50 CDAA CCCc1nc(N2C[C@H](C)O[C@H](C)C2)c2cnn(C)c2n1 72169221 FUSQUFOMQVQNBP-PHIMTYICSA-N 289.383 1.929 0 50 CDAA CCc1nccc(CN(C)Cc2n[nH]c3c2CCC3)n1 216208763 OQHBKPWTYIDNRW-UHFFFAOYSA-N 271.368 1.883 0 50 CDAA O=S(=O)(C[C@@H]1CCCC1(F)F)NC[C@H]1CCC[C@@H]1O 333118931 GHTBCGQBFHRCBC-VWYCJHECSA-N 297.367 1.502 0 50 CDAA O=C(O)CCNS(=O)(=O)c1ccc(C(F)F)cc1 262319165 QGRLZRGTQZBLFD-UHFFFAOYSA-N 279.264 1.377 0 50 CDAA COc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)c(O)c1 333795661 FERCGYDNVOYNNG-QHSBEEBCSA-N 287.315 1.426 0 50 CDAA Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1C[C@H]1C(=O)O 262565715 BITSJCMKNIQIGP-QWHCGFSZSA-N 286.331 1.856 0 50 CDAA CCn1nc(C)c(C(=O)N2CCC[C@@H](CNC)C2)c1Cl 159109354 RZHVMXIICQTWKA-NSHDSACASA-N 298.818 1.936 0 50 CDAA C[C@@]12CCN(S(=O)(=O)C3CC3)C[C@@H]1C2(F)F 334900110 JFEWAJMGSCTFEJ-DTWKUNHWSA-N 251.298 1.456 0 50 CDAA N=C(O)c1ncccc1C(=O)N1CC[C@H](C2CC2)C1 336106444 MVGPFPSPYRQODA-JTQLQIEISA-N 259.309 1.837 0 50 CDAA CC(C)c1ccoc1C(=O)NC[C@]1(O)CCO[C@@H]1C 287097442 OEPFDLYRJWBFPD-QMTHXVAHSA-N 267.325 1.673 0 50 CDAA C[C@H](CC(=O)O)NC(=O)CO[C@H]1CCCC[C@H]1C 241644265 PPOZGLSPRPWAQB-MXWKQRLJSA-N 257.330 1.561 0 50 CDAA Cc1cc(-n2cccn2)ccc1NC(=O)N1CC[C@H](O)C1 242389319 ZWEYGJRULZUFPB-ZDUSSCGKSA-N 286.335 1.779 0 50 CDAA COC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 45958465 PYSRDTBMFMMSDN-MRVPVSSYSA-N 276.317 1.822 0 50 CDAA Cc1nc(C)c(CN2CCC[C@H](c3nc(=O)[nH][nH]3)C2)s1 289165309 DXASMXMMIGXPEO-JTQLQIEISA-N 293.396 1.551 0 50 CDAA O=C(NC[C@@H]1CCCn2ccnc21)c1ccnn1C(F)F 612730133 INWFQEAPZRSXLL-VIFPVBQESA-N 295.293 1.782 0 50 CDAA CC[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)O 263576432 QKDKIYZAZDQSSE-BFHYXJOUSA-N 262.353 1.885 0 50 CDAA COc1ccc(-c2nc(N)c3cnn(C)c3n2)cn1 426488461 RACVNAAXPJMQJI-UHFFFAOYSA-N 256.269 1.016 0 50 CDAA CC(C)(C)n1ccc(C(=O)N2CC=C[C@H]2C(=O)O)c1 426624940 YHQHMOPMIIXGCY-NSHDSACASA-N 262.309 1.708 0 50 CDAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cnccn1 221272410 QMYSJBUREUYEOX-OAHLLOKOSA-N 293.330 1.844 0 50 CDAA O=C(NCCc1cnn[nH]1)c1ccc(-c2ncc[nH]2)s1 426518751 JZFWEXPFOFIUPP-UHFFFAOYSA-N 288.336 1.229 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)Cc1c(O)n[nH]c1C 426489977 FTWHQDWHTOPBTG-QMMMGPOBSA-N 291.355 1.194 0 50 CDAA CC(C)(C)OC(=O)N1[C@H](C(C)(C)C)COS1(=O)=O 96838037 HSGFAURARADKGN-QMMMGPOBSA-N 279.358 1.913 0 50 CDAA CC(C)[C@]1(O)CN(c2nc(N(C)C)ns2)C[C@H]1C 91663039 BNSAXBMJIJWPPC-BXKDBHETSA-N 270.402 1.447 0 50 CDAA Cc1cc(C)c(C(=O)N2CC(c3ccccn3)C2)c(=O)[nH]1 91725845 FFNMESBOQKKCRP-UHFFFAOYSA-N 283.331 1.626 0 50 CDAA COc1ccc(-n2nc(C)nc2[C@H]2CCNC2)cc1 96140056 NUYKVAXRKHWSOJ-NSHDSACASA-N 258.325 1.661 0 50 CDAA CO[C@H]1CCC[C@H]1CNC(=O)CCn1ccnc1 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263.341 1.373 0 50 CDAA CCc1nnc(CN(C)Cc2noc([C@H]3CCCO3)n2)o1 244763889 OXDKDBOXRMFXNB-SECBINFHSA-N 293.327 1.499 0 50 CDAA CN(C[C@@H]1CCCN([C@@H]2C=CCCC2)C1)S(C)(=O)=O 253417344 XDRNTGIBIUYOCI-UONOGXRCSA-N 286.441 1.699 0 50 CDAA Cc1[nH]c(=N)[nH]c(=NCC[C@@H]2CCCN(C)C2)c1Cl 534662464 QSTHTJYRDWASPO-JTQLQIEISA-N 283.807 1.417 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1n[nH]c2ccccc12 534661858 DPDTXEZPRPBWKO-GHMZBOCLSA-N 284.319 1.113 0 50 CDAA CCS(=O)(=O)NC[C@H](C)NC1(Cc2ccccc2)CC1 534663389 WZMLXZGRLZWSAK-ZDUSSCGKSA-N 296.436 1.679 0 50 CDAA Cc1nccn1C[C@@H](C)NCC1(CN2CCOCC2)CC1 534658727 JEEMYSNGHQWMQF-CQSZACIVSA-N 292.427 1.282 0 50 CDAA COc1ccc(C(=O)N[C@H](C)c2ncnn2C)cc1OC 276541329 ZAKGOUSHQQMUIW-SECBINFHSA-N 290.323 1.323 0 50 CDAA CCc1nccn1CC1(CNC(=O)c2nonc2C)CC1 299787546 NCZUNPORGWLDQO-UHFFFAOYSA-N 289.339 1.347 0 50 CDAA Cc1nonc1C(=O)N[C@@H](C)c1nncn1C1CCCC1 299801535 ZUMIVLBHZUXWIY-VIFPVBQESA-N 290.327 1.576 0 50 CDAA O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 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O[C@@H]1CCCC[C@H]1[C@H]1CCCN1c1nccn2cnnc12 281705119 BZGXJBSLIKVDAS-YNEHKIRRSA-N 287.367 1.644 0 50 CDAA CCn1c(=O)c(=O)n(CC[C@H]2CCCO2)c2ccccc21 408525352 XYSXWXAPTYKMPU-GFCCVEGCSA-N 288.347 1.752 0 50 CDAA Cc1n[nH]cc1CN1CCS(=O)(=O)c2ccccc2C1 187687958 HJGKITJZZHQQKX-UHFFFAOYSA-N 291.376 1.508 0 50 CDAA O=C(O)C[C@H]1CN(C(=O)c2cccc3c2CCC3)CCO1 192887611 ZTXLVWPTNAOCHP-LBPRGKRZSA-N 289.331 1.491 0 50 CDAA CSC[C@H](O)Cn1nnc(Cc2ccccc2C)n1 193396449 VBMQUIUSUAXOPG-GFCCVEGCSA-N 278.381 1.296 0 50 CDAA Cc1nccn1C[C@@H]1CCCN1C(=O)CN1CC(C)(C)C1 570462174 NEJMLVCAJUVGTB-AWEZNQCLSA-N 290.411 1.524 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)NCCc1ccc(C(=O)O)cc1 668267354 LNXLZADMXFVJLM-FZMZJTMJSA-N 291.347 1.859 0 50 CDAA CCn1cncc1CN1CCN([C@H]2CCCN(C)C2)CC1 669504732 NSZJKYMBXNBQHZ-HNNXBMFYSA-N 291.443 1.115 0 50 CDAA COC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20149401 KYMHOVLTBXANOC-UHFFFAOYSA-N 278.308 1.299 0 50 CDAA C[C@@H]1CCNC[C@H]1NC(=O)c1c(F)cc(F)cc1F 86996428 JGJCAMQSEJPZRW-RDDDGLTNSA-N 272.270 1.832 0 50 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1.922 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)Cc2cccc3cccnc23)C1 261903265 VGQNTBYSBDFFCM-ZDUSSCGKSA-N 284.315 1.710 0 50 CDAA c1cnc([C@@H]2CCN(c3ncnc4[nH]ccc34)C2)cn1 1651449693 MHEANNASBOWQSF-SNVBAGLBSA-N 266.308 1.742 0 50 CDAA N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCNC12CCCC2 902430551 CFQUYIKULPGZBY-BZUAXINKSA-N 271.408 1.875 0 50 CDAA Cn1cc(CN2C[C@H](CN)Cc3cc(F)ccc32)nn1 903786955 REQHKSHZZHZXEP-JTQLQIEISA-N 275.331 1.092 0 50 CDAA CC(C)(C)n1ncc2c(N3C[C@H]4CC[C@H]3CN4)ncnc21 817859162 WQDREWRMQYTJLJ-MNOVXSKESA-N 286.383 1.522 0 50 CDAA OC[C@H]1CCN(Cc2c(F)cc(F)cc2F)C[C@H]1O 1140530312 UVKLSPRWYDIQIR-AMIZOPFISA-N 275.270 1.279 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC2(CCOCC2)[C@H]1C(C)C 861997002 SQGFGNRGMXVCIU-OAHLLOKOSA-N 294.395 1.294 0 50 CDAA Cn1cnnc1C1CCN(CCn2cc(Cl)cn2)CC1 252481121 CHYSTXMRYQEXAF-UHFFFAOYSA-N 294.790 1.545 0 50 CDAA CCN(CC(N)=O)Cc1nc(O)c2c(C)c(C)sc2n1 253536235 LQYNLCYZIGNFRQ-UHFFFAOYSA-N 294.380 1.321 0 50 CDAA COCc1ccc(C(=O)N2C[C@H](C)N[C@H](C)C2)cc1 154010495 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1.143 0 50 CDAA Cc1cc(C)n(CCN=c2nc(C)c(C)c(C)[nH]2)c(=O)n1 2356159085 LBBUJRPYQFWLGV-UHFFFAOYSA-N 287.367 1.109 0 50 CDAA Cc1cccc2c1[C@@H](C)C[C@@H]2NCCN1C(=O)CNC1=O 134101487 CUYKUDLLBVBWTA-AAEUAGOBSA-N 287.363 1.685 0 50 CDAA Cn1c(=O)n(C)c2cc(CNC[C@@H]3CCCO3)ccc21 6678552 JKZACAYIDAUPLN-LBPRGKRZSA-N 275.352 1.146 0 50 CDAA CCN1CC[C@@H](CNC(=O)[C@@H]2COc3ccccc32)C1 113153243 LYYGCMDCHYBDDY-GXTWGEPZSA-N 274.364 1.621 0 50 CDAA CC[C@H](C)OCC(=O)N1C[C@H](N(C)C)[C@H](SC)C1 344765913 ZXBWMWLNPJCWCW-SDDRHHMPSA-N 274.430 1.306 0 50 CDAA O=C(O)c1ccccc1-n1c(O)nc2ccccc2c1=O 8995840 SZBBNJAPNMKLRU-UHFFFAOYSA-N 282.255 1.790 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(O)c1 100301323 JYVVSOYSBKBJHG-WTTBSCSTSA-N 255.273 1.704 0 50 CDAA Cc1c[nH]c(CN(C)C(=O)CSc2nnc(C)s2)n1 55403577 HGSWADAIUMXVGW-UHFFFAOYSA-N 297.409 1.629 0 50 CDAA C[C@H](NC(=O)CCc1ccccn1)c1cnn(C)c1 118985522 RFLKXPOGJUNWMF-NSHDSACASA-N 258.325 1.625 0 50 CDAA CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)O 143224458 JEBRCXVVNPFMDQ-BDAKNGLRSA-N 259.302 1.343 0 50 CDAA CCC[C@H](C)c1nnc(NC(=O)c2ncn[nH]2)s1 67975076 SAEJPJUSLNDDQG-LURJTMIESA-N 266.330 1.812 0 50 CDAA COc1cc(C)ccc1OCCCNCCN(C)C 20418833 WRJFNCIWTLZTAY-UHFFFAOYSA-N 266.385 1.924 0 50 CDAA O=C([C@@H]1CCCN1[C@@H]1C=CCCC1)N1CCOCC1 229675002 LZBUJNAIISDAGH-KGLIPLIRSA-N 264.369 1.418 0 50 CDAA CCOC1(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)CCCC1 253421723 KCBUFIZJSHAJIW-ZUSKZHGZSA-N 287.425 1.704 0 50 CDAA COC[C@H]1CCCCN(C(=O)Cc2cc(C)[nH]n2)C1 368775042 MTIDFTWPFLJJBI-LBPRGKRZSA-N 265.357 1.536 0 50 CDAA COc1cccc([C@H]2C[C@@H](O)CN2c2cnccn2)c1 283349104 BJDMJDXSEFOSHP-TZMCWYRMSA-N 271.320 1.798 0 50 CDAA COc1cccc(C)c1N1C(=O)CN(C2CC2)C1=O 328595399 UAKULVOHQGRCAT-UHFFFAOYSA-N 260.293 1.935 0 50 CDAA CCc1cnccc1C(=O)NC[C@@H]1CCn2ccnc2C1 328618719 DZAXLJGIQUWELT-GFCCVEGCSA-N 284.363 1.833 0 50 CDAA CCCOc1cc(CNc2nnc(CO)o2)ccc1OC 284025672 RMEJKINGXJGUHR-UHFFFAOYSA-N 293.323 1.971 0 50 CDAA Cc1c(CCC(=O)N2CC[C@](O)(C3CC3)C2)cnn1C 366913151 RKFALEWDBOLSMW-OAHLLOKOSA-N 277.368 1.035 0 50 CDAA CN(C)C(=O)CNC(=O)c1cccc(CCC(C)(C)O)c1 72468881 YIHRMRUOSCIJQH-UHFFFAOYSA-N 292.379 1.208 0 50 CDAA CCN(Cc1ccc(C(N)=O)c(=O)[nH]1)Cc1ccc(C)o1 77340029 RETOVUCYIQWNTI-UHFFFAOYSA-N 289.335 1.397 0 50 CDAA Cc1cccc(C)c1OCCCNC(=O)[C@@H]1CSCN1 155350818 LYVLFUPYWSIVJW-ZDUSSCGKSA-N 294.420 1.851 0 50 CDAA CCCc1cc(C(=O)NCCSCC)n(C)n1 77379229 FKYIGYBUAMFCKL-UHFFFAOYSA-N 255.387 1.856 0 50 CDAA O=C(O)c1ccc(-c2cc(NCCO)nc3[nH]ccc23)nc1 72167892 MIDCUQTWLFGWEQ-UHFFFAOYSA-N 298.302 1.727 0 50 CDAA Cc1cc(CC(=O)NC[C@@](C)(O)c2ccsc2)n[nH]1 121636670 XSFKYRONZIMMEP-CYBMUJFWSA-N 279.365 1.346 0 50 CDAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc3ncccc3c2)C1 219535696 GDAXFCZVBPPCRU-CABCVRRESA-N 299.374 1.372 0 50 CDAA CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H](N)C2)[C@@H](C)C1 236905548 NLRHAMHFAWGMPF-DGAVXFQQSA-N 267.417 1.303 0 50 CDAA COc1csc(C(=O)N2CCCC[C@@H]2C(=O)O)c1 128841748 ATVJUIBQWAKKGA-SECBINFHSA-N 269.322 1.836 0 50 CDAA Cc1c(C(=O)N2CCN[C@@H](C)C2)cnn1-c1ccccc1 237586884 KVXNMZWUECYQEY-LBPRGKRZSA-N 284.363 1.615 0 50 CDAA O=C1CCC[C@H](C(=O)N[C@@H]2CCCc3ccc(F)cc32)N1 334373607 CJFAJCVTHDCGHV-ZIAGYGMSSA-N 290.338 1.988 0 50 CDAA Cc1nccc(C2CCN(C(=O)c3cn[nH]c3)CC2)n1 216317818 IJIRKJQEUBXHSB-UHFFFAOYSA-N 271.324 1.528 0 50 CDAA COCc1ncc(CN(Cc2nccn2C)C2CC2)cn1 215712726 GGHUHNKVFMFNRP-UHFFFAOYSA-N 287.367 1.521 0 50 CDAA Cn1cnc(C(=O)N2CCC(Cc3cccnc3)CC2)c1 336369116 AVTXDJFEKDLQMF-UHFFFAOYSA-N 284.363 1.910 0 50 CDAA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnccn1 223041256 REYWOIWPHQAGSZ-KGLIPLIRSA-N 291.351 1.347 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CC[C@@H](CN)C2)s1 178531790 CMPFILFBWDFXPD-PBKGFPTLSA-N 251.355 1.272 0 50 CDAA C[C@H](N)C1CCN(C(=O)[C@H]2CSCCS2)CC1 178863806 YWDJBQNAEDMIFJ-GXSJLCMTSA-N 274.455 1.421 0 50 CDAA COC(=O)[C@H](Sc1nnc(CN)n1C)c1ccccc1 426477635 WFNNXARAVYWHPZ-LLVKDONJSA-N 292.364 1.280 0 50 CDAA Cc1cccc(C)c1N1CCN(S(C)(=O)=O)CC1 139506923 IYCFEXQFPGLEKD-UHFFFAOYSA-N 268.382 1.385 0 50 CDAA COCC[C@@H]1COCCN1c1ncnc2ccccc12 292416449 SYMJUVCYCFYFQE-GFCCVEGCSA-N 273.336 1.872 0 50 CDAA COc1ccsc1C(=O)N1CCO[C@H](CC(=O)O)C1 161414929 SECUDMSWJGKNID-MRVPVSSYSA-N 285.321 1.072 0 50 CDAA Cc1ccn(CC(=O)N2CCC[C@](CO)(CC3CC3)C2)n1 91410735 SOKGNODIVFLZNZ-INIZCTEOSA-N 291.395 1.593 0 50 CDAA Cc1ccccc1[C@@H](C(=O)N(C)Cc1cc[nH]n1)N(C)C 95383096 XZCCGACKQIORHC-HNNXBMFYSA-N 286.379 1.979 0 50 CDAA Cc1ccc(OCC(N)=O)c(-c2ccccc2C(N)=O)c1 96137851 LBROSKHORZWJKS-UHFFFAOYSA-N 284.315 1.625 0 50 CDAA COc1ccnc(C(=O)NCCc2nncn2C(C)C)c1 426544361 HXJRNDGZESRUBA-UHFFFAOYSA-N 289.339 1.235 0 50 CDAA O=C(O)CN1CC[C@]2(CCCN(C3CCCC3)C2=O)C1 91475968 CNGFWAJCNVXAEU-OAHLLOKOSA-N 280.368 1.328 0 50 CDAA Cc1nn(C)c(C)c1NC(=O)NC[C@H](O)c1ccco1 95500405 KUXNCEMBKIVLCK-JTQLQIEISA-N 278.312 1.485 0 50 CDAA COCc1c(C(=O)NCc2ccc(CN)cc2)noc1C 97446876 LWFXOYWLIGSWEN-UHFFFAOYSA-N 289.335 1.518 0 50 CDAA O=C(O)CNC(=O)CSc1cccc(C(F)(F)F)c1 238171109 QMJRLSGYKIJOQY-UHFFFAOYSA-N 293.266 1.998 0 50 CDAA O=c1cc(N2CCCC2)cnn1Cc1cscn1 95370003 JNXHWOYGIQGQOP-UHFFFAOYSA-N 262.338 1.348 0 50 CDAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CO)C1 95503417 VWLJTJVDEVLFEH-LLVKDONJSA-N 251.330 1.162 0 50 CDAA C[C@@H](CO)NCc1cc(=O)c2cc(F)ccc2[nH]1 91621405 YYURADFUQSECBT-QMMMGPOBSA-N 250.273 1.138 0 50 CDAA COc1cccc(-c2ccc(N(C)CCO)nn2)c1F 97717408 VAEHIDMVLMYHGO-UHFFFAOYSA-N 277.299 1.720 0 50 CDAA CN(CC(=O)O)[C@H]1CCCN(c2ccccc2)C1=O 237183717 GXWOLLICSMMPSY-LBPRGKRZSA-N 262.309 1.198 0 50 CDAA CCNc1ncc(C(=O)N[C@@H](CC)c2ccnn2C)cn1 91679583 NAGWAVXTGXDHKR-NSHDSACASA-N 288.355 1.523 0 50 CDAA CC(C)[C@H]1CN(c2cc(N3CCCCC3)ncn2)C[C@@H]1N 91830991 IYEILLIYAXMZEP-KGLIPLIRSA-N 289.427 1.886 0 50 CDAA Cc1cc(-c2ccccc2)nc(CN2CCNC(=O)CC2)n1 244763940 OYEPANLBQXLCRS-UHFFFAOYSA-N 296.374 1.774 0 50 CDAA O=C(O)C[C@H](NC(=O)C1CCOCC1)c1ccc(F)cc1 299338526 GDQPFTBWOAZGPW-ZDUSSCGKSA-N 295.310 1.884 0 50 CDAA NC(=O)[C@@H]1CCCN(C(=O)Nc2ccnn2CC2CC2)C1 253421038 YPBLJYQSSUJTEC-LLVKDONJSA-N 291.355 1.022 0 50 CDAA Cc1[nH]nc2ncc(C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)cc12 268192877 HWFCWWBGEUOVAD-YMTOWFKASA-N 299.378 1.479 0 50 CDAA Cc1c[nH]c(CNC(=O)CCc2cccn2C)c(C)c1=O 534655970 GXXARIHZALYCKT-UHFFFAOYSA-N 287.363 1.579 0 50 CDAA O=C(NCC[C@@H]1CCOC1)c1cncc(Cl)c1 450572294 UAQAMOKTGBDHSK-SECBINFHSA-N 254.717 1.891 0 50 CDAA Cc1ccn(CCN2C(=O)[C@]3(CCNC3)c3ccccc32)n1 1940194655 CCIIJXKWTZESHF-KRWDZBQOSA-N 296.374 1.469 0 50 CDAA CNC(=O)[C@@H]1C[C@H](N)CN1Cc1cccc2ccccc12 299757208 JFCZLUOZPKJYQE-HOCLYGCPSA-N 283.375 1.487 0 50 CDAA COCCn1cncc1CNC(=O)c1sc(C)nc1C 299765637 PBXVZGGJGJMFKO-UHFFFAOYSA-N 294.380 1.533 0 50 CDAA CCN(C(=O)Nc1ccc2c(c1)COC2)[C@H]1COC[C@@H]1O 299768455 JMJOGCRCZHPQMV-KBPBESRZSA-N 292.335 1.330 0 50 CDAA NC(=O)CC[C@H]1CCCN(c2ccncc2F)C1 641335011 FNAXZAYGSRGAGT-SNVBAGLBSA-N 251.305 1.703 0 50 CDAA O=C(NCCc1cn[nH]c1)N1CC[C@@H](N2CCCCC2)C1 290858569 BHEFDMWEWRTDDB-CQSZACIVSA-N 291.399 1.222 0 50 CDAA Cc1cc(CC(=O)NCCCc2nnc3ccccn23)on1 571050737 MGZIECDDZKKTBR-UHFFFAOYSA-N 299.334 1.317 0 50 CDAA CC(C)(C)[C@@H]1NC(=O)[C@@H](c2ccc(O)cc2)NC1=O 822125138 KFPMJTBCIRFNSM-GHMZBOCLSA-N 262.309 1.094 0 50 CDAA CS(=O)(=O)NC[C@@H]1CCN(C2CCCCC2)C1 824864409 BCKMWBMRVTVNFF-NSHDSACASA-N 260.403 1.190 0 50 CDAA Cc1cc(CN(C)Cc2cnc3[nH]cncc2-3)no1 585136843 VMNBPHACBMIZIS-UHFFFAOYSA-N 257.297 1.838 0 50 CDAA O=C1NCC2(CCN(C3Cc4ccccc4C3)CC2)O1 584885457 OHLXETVMLANENH-UHFFFAOYSA-N 272.348 1.728 0 50 CDAA O=C(NCC1(COc2ccccc2)CC1)N1CC(O)C1 584884430 UZGKVOGKJBLHQV-UHFFFAOYSA-N 276.336 1.232 0 50 CDAA COCC[C@H]1CN(C2Cc3ccccc3C2)CCO1 670439690 AXGIXCNFJJXGQK-INIZCTEOSA-N 261.365 1.891 0 50 CDAA Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC(=O)N2)cc1 270234864 JAGWWXHPECLURZ-WCQYABFASA-N 260.337 1.841 0 50 CDAA Cc1nc(C)n(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)n1 270349632 BTLXOHCPOWTSNF-AWEZNQCLSA-N 299.378 1.923 0 50 CDAA CCCC(=O)NC1(CNC(=O)c2ccon2)CCCC1 1375261115 SMRJVQSXMMMNBR-UHFFFAOYSA-N 279.340 1.634 0 50 CDAA O=C(O)c1cn([C@@H]2CCCC[C@@H]2NC(=O)C2CCC2)nn1 1551455415 MGKVECPTTNSLFP-CMPLNLGQSA-N 292.339 1.376 0 50 CDAA COc1ccccc1CN1C(=O)N[C@@](C)(C2CC2)C1=O 271170437 CXFPWMRBWJPWBZ-HNNXBMFYSA-N 274.320 1.916 0 50 CDAA COc1ccc(-c2c[nH]ccc2=N)cc1C[C@H](CN)CO 952850153 UUCSISVTZAEELE-LLVKDONJSA-N 287.363 1.279 0 50 CDAA NS(=O)(=O)Cc1cccc(F)c1Br 156900385 GKZONLMKRWLZDP-UHFFFAOYSA-N 268.107 1.377 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cc(O)nc(CC(C)C)c1 1875273229 HCPZQRPWSKSSBP-SNAWJCMRSA-N 292.335 1.445 0 50 CDAA CCN(CC)Cc1ccc(-c2nnc(-c3nc[nH]n3)[nH]2)o1 1875281677 PPKQISSQVAQTEV-UHFFFAOYSA-N 287.327 1.692 0 50 CDAA CCC(=O)N[C@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1 1875274692 RYEHQSIQGDMGIY-SVRRBLITSA-N 261.247 1.897 0 50 CDAA O=C(N=c1[nH]ncs1)NCc1ccnc(C2CC2)c1 1875258686 VKVZVQJVVJOAAT-UHFFFAOYSA-N 275.337 1.554 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@@H](C)CC2CC2)CC1 1875367248 GCHOYJSUAJAAHV-NSHDSACASA-N 264.369 1.716 0 50 CDAA C[C@@H]1CCCc2c(C(=O)Nc3c[nH]c(C(N)=O)c3)cnn21 1875336612 CVGTYLXKKOELGQ-MRVPVSSYSA-N 287.323 1.460 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@](C)(O)[C@H](C)c1ccccc1 1875311634 IAHJXVFPSQNZQS-SHHSCGAMSA-N 291.347 1.387 0 50 CDAA CC1CCC([C@@H](N)C2(O)C[C@@H]3CC[C@H](C2)N3)CC1 958527735 FYZCWKGDDWSNBW-SPIFILEBSA-N 252.402 1.786 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CNCCO2)C1 72194301 KSLJZAAAQPGVRM-CYBMUJFWSA-N 256.346 1.376 0 50 CDAA in-vitro CC[C@H]1C(=O)NCCN1c1ccnc(-c2cccc(O)c2)n1 888093763 LYQIEOGBJMDUTH-ZDUSSCGKSA-N 298.346 1.564 0 50 CDAA C[C@H](N[C@H]1c2ccccc2C[C@H]1O)[C@H]1COC(C)(C)O1 1775985164 HFIKRJSXAHMQJW-QOWREQOWSA-N 277.364 1.774 0 50 CDAA C=CC(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1 1336681884 NNARYMYWJDDGIP-HNNXBMFYSA-N 274.364 1.498 0 50 CDAA Cn1[nH]c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1=N 1535647404 RWHGKFTVXXIPOT-SECBINFHSA-N 281.360 1.342 0 50 CDAA CCn1nncc1CNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21 1578367213 SREOBIBSEOJAOQ-IACUBPJLSA-N 291.399 1.083 0 50 CDAA COC(=O)CC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 77011640 WSZRBHLROKLBBT-SNVBAGLBSA-N 285.340 1.766 0 50 CDAA in-vitro C[C@H]1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CC2)C1 408201107 GRERVNVQNZOSQF-VHSXEESVSA-N 259.371 1.116 0 50 CDAA COCC1(S(=O)(=O)NCC2(O)CCCCCC2)CC1 408459183 HOERPFJGOCQJDY-UHFFFAOYSA-N 291.413 1.170 0 50 CDAA CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C1CCC1 221682414 ARKPNRZQXJBOSB-UHTWSYAYSA-N 281.400 1.779 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NCc1cccnc1N(C)C 188677598 KLXHLTNEGPGTED-WCQYABFASA-N 277.368 1.579 0 50 CDAA CC(=O)NC1CN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)C1 190279581 WYUYXHIPBDCAHQ-HRCADAONSA-N 299.374 1.245 0 50 CDAA CCc1nocc1CN(C)C(=O)[C@@H]1CCc2cncn2C1 563200338 PTNOEVVASJVAIK-LLVKDONJSA-N 288.351 1.655 0 50 CDAA CCCCCOCC(=O)NC[C@@H](O)c1cccnc1 584908185 ZOGQDXPCECRJHV-CYBMUJFWSA-N 266.341 1.438 0 50 CDAA CC(C)c1ccc(NC2CCN(CCO)CC2)nn1 1506406366 ZXUYRORWZKCXBY-UHFFFAOYSA-N 264.373 1.469 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)c2cnc(C)nc2O)C1 1506415514 YMXRFLIBXBTTPT-LLVKDONJSA-N 279.340 1.522 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@@H]1CCCCCN1C 1506407596 KDYCDCMUCXNDPW-LBPRGKRZSA-N 250.346 1.541 0 50 CDAA Cc1nncn1CCN1CCN(c2ccccc2F)CC1 1506417658 SINYURCVEAPLIM-UHFFFAOYSA-N 289.358 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CCOc1ccc(C(=O)CCNCCC(=O)O)cc1 2922136 CWPAUBXLQUWEIC-UHFFFAOYSA-N 265.309 1.722 0 50 CDAA N=c1cc[nH]c(-c2ccc(CN3CCC[C@H](CO)C3)cc2)n1 2356152852 CWTOFMRKPDPPJD-AWEZNQCLSA-N 298.390 1.760 0 50 CDAA O=C(Cn1ncc2ccccc21)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356156625 KWNZVROHBLJQJE-FICVDOATSA-N 299.374 1.941 0 50 CDAA O=C(NCCCNC(=O)c1ccncc1)c1ccccc1 4487314 ZIYDFFPIIZLOGP-UHFFFAOYSA-N 283.331 1.632 0 50 CDAA N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)O 4536400 VULSXQYFUHKBAN-LLVKDONJSA-N 266.297 1.105 0 50 CDAA Cc1cc(C)cc(OCC(=O)NC[C@@H](C)CN(C)C)c1 4598835 NGGZDFBSOMJAHY-CQSZACIVSA-N 278.396 1.996 0 50 CDAA Cn1c(=O)n(C)c2cc(NC=O)c(Br)cc21 4807894 ZMLPFFMMXZMXOF-UHFFFAOYSA-N 284.113 1.208 0 50 CDAA O=C1c2c(O)cc(O)cc2O[C@]1(O)Cc1ccc(O)cc1 6092939 LOFYFDPXORJJEE-OAHLLOKOSA-N 288.255 1.310 0 50 CDAA biogenic,in-vitro C[C@H](NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)O)[C@H]1CCCO1 6726297 AFIMWANBPBCXET-SCXHYUSISA-N 295.379 1.807 0 50 CDAA CNC(=O)c1ccc(OCCOC)c(Br)c1 8723028 DRQLVZSNTKVJGU-UHFFFAOYSA-N 288.141 1.834 0 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0 50 CDAA Cn1cc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cn1 328592132 SDIGAGSOKQOKDV-CHWSQXEVSA-N 295.408 1.547 0 50 CDAA Cn1nccc1CCN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 253395924 IXIJUFKGMFROOI-JKSUJKDBSA-N 289.354 1.910 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2c[nH]nc2-c2ccccn2)n[nH]1 356492911 WSZWVELSTKLGKM-QMMMGPOBSA-N 297.322 1.389 0 50 CDAA Cc1ccc(C2(O)CCN([C@H](C)C(=O)O)CC2)nc1 67821329 SMXWYEKERQIHEP-LLVKDONJSA-N 264.325 1.147 0 50 CDAA CCc1cc(-c2nccn2[C@@H](C)Cn2cncn2)on1 71714798 DNGPHXLTXOCAMU-JTQLQIEISA-N 272.312 1.953 0 50 CDAA CC(C)(C)OC(=O)Nc1cccn(CC(=O)O)c1=O 33369270 QPLUGXUIIHOKBV-UHFFFAOYSA-N 268.269 1.280 0 50 CDAA Cc1cc(N2CCC(Oc3cnccn3)CC2)ncn1 330112175 BRBWBQDZLRZWDN-UHFFFAOYSA-N 271.324 1.623 0 50 CDAA COC1CC(NCC(C)(C)C2(O)CCOCC2)C1 332436110 ATGSJLGGYBTKCZ-UHFFFAOYSA-N 257.374 1.321 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2cccn2C2CC2)C1 36856273 JFWRSQFJLICDHJ-JTQLQIEISA-N 262.309 1.760 0 50 CDAA O=C(NCc1ccccc1-n1cncn1)[C@H]1CCCO1 219901520 WDEIFLKROUQIKE-CYBMUJFWSA-N 272.308 1.063 0 50 CDAA C[C@@H](NC(=O)C1(C(=O)O)CC1)c1cccc(-n2cccn2)c1 154951552 OCOWMFJDCKHVAI-LLVKDONJSA-N 299.330 1.914 0 50 CDAA Cc1nc(CCCNC[C@]2(O)CCCNC2)sc1C 72436465 MKZIBZJERMKLQW-CQSZACIVSA-N 283.441 1.397 0 50 CDAA CO[C@H]1CCC[C@@H]1CNC(=O)CCc1cnccn1 332936555 LBSCVYHKWNZBCB-YPMHNXCESA-N 263.341 1.341 0 50 CDAA COC(=O)c1[nH]c(C)cc1NS(=O)(=O)CC1CCC1 156573080 AYQFMVGUJLEBHL-UHFFFAOYSA-N 286.353 1.652 0 50 CDAA O=C(Nc1ccc2c(c1F)CCNC2=O)NC1CCC1 284873620 MQYMDSRRKJIIQR-UHFFFAOYSA-N 277.299 1.786 0 50 CDAA CCc1cc(N[C@H]2CCCCNC2=O)n2nccc2n1 72150604 FJSGVWIOQIGWID-NSHDSACASA-N 273.340 1.372 0 50 CDAA COC[C@H]1CN(c2ccnc3c2cnn3C)CC(C)(C)O1 285088239 QBKDZRSSLNIGKV-LLVKDONJSA-N 290.367 1.599 0 50 CDAA O=C(O)CN1CCCC12CCN(c1ccccn1)CC2 72407870 ZAQDKMUPZBPTLD-UHFFFAOYSA-N 275.352 1.601 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2cccc(-c3n[nH]c(C)n3)c2)C1 133624368 YQVAXZNXBLPYLZ-CQSZACIVSA-N 299.378 1.604 0 50 CDAA O=C(C[C@H]1OCCc2ccccc21)NCCc1ncc[nH]1 174757472 IBEYJCDPRPYSDY-CQSZACIVSA-N 285.347 1.773 0 50 CDAA NC[C@H]1CCCN1C(=O)C[C@@H]1OCCc2ccccc21 238038467 VKPXYBOSXGSBTO-HIFRSBDPSA-N 274.364 1.640 0 50 CDAA CC1(C)[C@H](NC(=O)c2ccc(C(=O)O)s2)[C@H]2CCO[C@H]21 262456907 XHXHZBIMHKBLNW-AVPPRXQKSA-N 295.360 1.990 0 50 CDAA NC(=O)Cc1cc2c(cc1Br)OCO2 45028125 GMXNJWJWKSKBTR-UHFFFAOYSA-N 258.071 1.206 0 50 CDAA Cc1nnc(CC(=O)N[C@H]2CCCc3c[nH]nc32)s1 612533890 YJXFBSUXPLKQRA-VIFPVBQESA-N 277.353 1.306 0 50 CDAA Cc1ccsc1CNS(=O)(=O)c1c(N)noc1C 289379762 NMQJHALXQZHXIK-UHFFFAOYSA-N 287.366 1.414 0 50 CDAA CCc1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1CC 179301085 DPBYORQRCPZIHF-ZDUSSCGKSA-N 283.393 1.879 0 50 CDAA CCn1c(SCc2cnn(C)n2)nnc1-c1ccco1 289771123 KJLBWQFPEQBBJU-UHFFFAOYSA-N 290.352 1.979 0 50 CDAA COCCN(Cc1cccnc1)Cc1cnn(C)c1 191245808 JENMGUPNXKNCFO-UHFFFAOYSA-N 260.341 1.464 0 50 CDAA C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(O)nn2)C1 530079210 KKTBTHQAMLVXSS-YPMHNXCESA-N 290.367 1.188 0 50 CDAA CC[C@@H](NC(=O)c1cc(N)[nH]n1)c1ncccc1C 223482967 XQYPHFIQPRTSIU-SECBINFHSA-N 259.313 1.576 0 50 CDAA Cc1nnc(CN(C)C(=O)NCCc2ncccc2C)o1 426485762 NNUUZXNEAFDFLD-UHFFFAOYSA-N 289.339 1.466 0 50 CDAA CCc1nnc(CN(C)C(=O)Cc2ccccc2OC)o1 220368912 PGYXZNZASUACLJ-UHFFFAOYSA-N 289.335 1.842 0 50 CDAA C[C@H]1Cc2cc(C(=O)N(C)CCc3ncon3)ccc2O1 426573179 OJSVEFJTTSINBI-JTQLQIEISA-N 287.319 1.708 0 50 CDAA CCc1n[nH]c2c1CN(C(=O)c1ncc(F)cc1F)CC2 222353119 DLDJUBDOYSWJCI-UHFFFAOYSA-N 292.289 1.844 0 50 CDAA CSCCC(=O)N1CCN(c2nc(C)cnc2C)CC1 221425041 HRBVKGLYTZTFHJ-UHFFFAOYSA-N 294.424 1.495 0 50 CDAA Cc1cnn([C@H](C)CNC(=O)c2ccc(C(=O)O)cc2)c1 426667715 YSOTXBRCISHKDI-LLVKDONJSA-N 287.319 1.881 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccccn1 239433412 XQNAZWMFMIRORX-YRRQLQLVSA-N 272.304 1.221 0 50 CDAA CCN(CCN(C)C)C(=O)c1cc(OC)cc(C(=O)O)c1 426534427 HTISGVUAISGIDB-UHFFFAOYSA-N 294.351 1.417 0 50 CDAA CC(C)Nc1ncc(C(=O)N2CCCC[C@@H]2CO)cn1 97117063 ICMBBYMZNGIRDR-GFCCVEGCSA-N 278.356 1.284 0 50 CDAA CCN1CCC(C(=O)NCc2cc(C)nn2C)CC1 97575050 GJVSPPLERVUJEN-UHFFFAOYSA-N 264.373 1.077 0 50 CDAA CCOC(=O)C1CC2CC(C(=O)OCC)CC(C1)N2 95630161 CYOAMOAKXMVYBL-UHFFFAOYSA-N 269.341 1.259 0 50 CDAA O[C@H]1CN(CCc2ccccc2)C[C@@H]1N1CCCCC1 97729807 GVELTJKIWOBOOS-IRXDYDNUSA-N 274.408 1.760 0 50 CDAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1CCNC1 97775925 ZERQEPUJZLWWCY-RXMQYKEDSA-N 296.680 1.184 0 50 CDAA COC[C@]1(O)CCN(Cc2cc(C)no2)CC1(C)C 91893604 VCZJEBVYVQYKTH-CQSZACIVSA-N 268.357 1.592 0 50 CDAA COCC[C@@]1(CO)CCCN(C(=O)c2cc(C)no2)C1 91966357 WRYZOGVAFUMZEW-AWEZNQCLSA-N 282.340 1.234 0 50 CDAA Cc1cc(C)c(C(=O)N[C@@H](C)Cc2cnccn2)c(=O)[nH]1 91617019 PIXUGISXUDKVSB-NSHDSACASA-N 286.335 1.143 0 50 CDAA CC[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C 238317221 RGMWNSRIFDGQIH-ZETCQYMHSA-N 251.304 1.277 0 50 CDAA Cc1ncsc1CCC(=O)NC1(C(=O)O)CCOCC1 95353432 HFGPRKZQKQQLEO-UHFFFAOYSA-N 298.364 1.134 0 50 CDAA O=C1OCCCN1CCNc1nccc(-c2cccnc2)n1 96139422 JNKYYHAORSTXIZ-UHFFFAOYSA-N 299.334 1.793 0 50 CDAA CCn1cc(C2CCN(C(=O)[C@@H]3CC[C@H](N)C3)CC2)cn1 237017264 VLHJKMRFXJFZEF-HIFRSBDPSA-N 290.411 1.736 0 50 CDAA Cc1ccnn1CCN1CCN(C2CCSCC2)CC1 244595027 DNDUUSYYRJEREH-UHFFFAOYSA-N 294.468 1.705 0 50 CDAA COc1ccc([C@H](CN)N2CC[C@@H](C(=O)O)C2)cc1OC 242614946 PMSFHMBZPILRRH-NEPJUHHUSA-N 294.351 1.110 0 50 CDAA CCc1ccc(C=c2sc3ncnn3c2=O)cc1 254822532 JEWOSLNSDJTIOV-UHFFFAOYSA-N 257.318 1.261 0 50 CDAA C[C@H]1CN(c2nc(C3CC3)ns2)C[C@H](CO)O1 299972696 WLRLTQRFOMMCQE-IONNQARKSA-N 255.343 1.002 0 50 CDAA C[C@@H]1CCCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 252670395 KLYYUELKNWJBBM-JHJVBQTASA-N 292.379 1.563 0 50 CDAA COc1ccccc1CC1(C(=O)O)CCS(=O)(=O)CC1 255188672 KSJCKRXNMOTUKG-UHFFFAOYSA-N 298.360 1.517 0 50 CDAA O=C(NC1(c2ccccc2)CCOCC1)[C@@H]1CCOC1 534664262 FKZXOUMJLOSSHH-CYBMUJFWSA-N 275.348 1.845 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1cccc2c1NCCC2 534644695 BTCDWNQPQSRFIA-KBPBESRZSA-N 290.363 1.578 0 50 CDAA Cc1cccc(Cl)c1OCCNC(=O)N[C@@H](C)C(N)=O 534646655 WKHITTVGWZUWEN-VIFPVBQESA-N 299.758 1.200 0 50 CDAA O=C(N[C@@H]1CNC[C@@H]1c1ccccc1)C(F)(F)F 261361186 YFHIIRBVIAFCMB-NXEZZACHSA-N 258.243 1.421 0 50 CDAA COc1cc(-c2ccc(CCC(=O)O)cc2)[nH]c(=N)n1 534634203 ZCFFWTMRKYLNIV-UHFFFAOYSA-N 273.292 1.582 0 50 CDAA O=C(CN1Cc2ccccc2C1)NC[C@@H]1CCN(C2CC2)C1 534659649 DEYUPVXLJWNRIV-AWEZNQCLSA-N 299.418 1.603 0 50 CDAA C[C@H](C(=O)O)N1CCC(C(=O)Nc2ccccc2)CC1 262653957 LVMVMJWZAYGRFK-LLVKDONJSA-N 276.336 1.810 0 50 CDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)c1cc(Cl)c[nH]1)CC2 299768162 JUHXVGNBPWIJBW-SCDSUCTJSA-N 298.770 1.813 0 50 CDAA Cc1nc(CN2C[C@H](CO)OC(C)(C)C2)sc1C 163816466 AIJZBNNBUYNDJA-LLVKDONJSA-N 270.398 1.732 0 50 CDAA CCCc1cnc(C)nc1NC[C@H]1CN(C)C(=O)CO1 823012027 FPISJXAXHKHAFO-LBPRGKRZSA-N 278.356 1.007 0 50 CDAA COc1cc(CN2CCC(=O)N(C)CC2)cc2c1OCO2 668621411 HJDTUHFYGACTBU-UHFFFAOYSA-N 292.335 1.088 0 50 CDAA COCc1ncc2c(n1)CCN(Cc1ccco1)C2 585136254 YBSSDVMHPPZZST-UHFFFAOYSA-N 259.309 1.774 0 50 CDAA Cc1cc(C(=O)NCc2cnn(C)c2C)c(O)cn1 584893585 LECOSJDSUKAYJC-UHFFFAOYSA-N 260.297 1.068 0 50 CDAA CC[C@@H](OC)C(=O)NC1(C(N)=O)CCCCCC1 584886635 BWXSRBOUKBEXKF-SNVBAGLBSA-N 256.346 1.106 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2ccnc(OC)c2)C1 584884105 LCZQXZCRHYJKPA-GFCCVEGCSA-N 278.352 1.979 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](c3n[nH]cc3N)C2)c(C)o1 864379241 LVVYGJDKWSSZFC-JTQLQIEISA-N 274.324 1.831 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)CCc2nncn2C)n1 584892791 MBRNJTGWQGRUDV-GFCCVEGCSA-N 287.367 1.199 0 50 CDAA CCn1ncc(CN(C)c2ncc(F)c(OC)n2)c1C 670471107 BEDOISBLSYYXJZ-UHFFFAOYSA-N 279.319 1.786 0 50 CDAA C=CC(=O)NCc1cc(C(=O)OC)c2n1CCCC2 1875367370 RZZGAGXFSITFLJ-UHFFFAOYSA-N 262.309 1.413 0 50 CDAA C[C@@H]1[C@H](NC(=O)/C=C/CN(C)C)CC[C@@H](CO)C1(C)C 1875377006 PPRSBYFDBNATKL-KEHVYPQJSA-N 282.428 1.654 0 50 CDAA CCc1nsc(N2CC3(CCOCC3)CC[C@@H]2CO)n1 952876975 JPWDJGYOZZJURS-LLVKDONJSA-N 297.424 1.858 0 50 CDAA COC[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)c1nn[nH]n1 952992855 DHANXXJXXQVKEM-DCAQKATOSA-N 281.360 1.220 0 50 CDAA Cn1ccnc1-c1ccc(NC[C@]2(C)CCCO2)nn1 952970001 NOMSQOWQWSHGBD-AWEZNQCLSA-N 273.340 1.858 0 50 CDAA O=CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 23283299 MZBCQDVFPZTSRM-UHFFFAOYSA-N 272.270 1.979 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(CCOC2)[C@@H](CN)C1 1535639530 LOVAHUZBIRDDQH-SMDDNHRTSA-N 270.373 1.609 0 50 CDAA O=C(NC[C@@H]1CCCCO1)NC[C@H]1CCc2nccn2C1 275296852 BHSYVBGCFGEKLV-OLZOCXBDSA-N 292.383 1.314 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCc1ccco1 275763290 BFOKMGXKIAJBGO-RYUDHWBXSA-N 290.323 1.343 0 50 CDAA CN(C)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1 169899403 GBCIWORMQWTVMK-UHFFFAOYSA-N 293.342 1.702 0 50 CDAA C[C@@]1(C(=O)NCc2cccc(OCC(F)F)n2)CCCN1 170070805 UODPPDJZORQGFJ-AWEZNQCLSA-N 299.321 1.484 0 50 CDAA Cc1nc(CCN2C(=O)NC(C)(C)C2=O)sc1C 170068378 CBWAYVIZOMIHIF-UHFFFAOYSA-N 267.354 1.633 0 50 CDAA CC(C)[C@H]1CN(c2nnc(CC(F)(F)F)n2C)CCO1 516063396 PMUKWDGZNJOQPF-SECBINFHSA-N 292.305 1.781 0 50 CDAA COc1ccccc1CCN(C)C(=O)[C@@H]1C[C@H](OC)CN1 583617564 WHQRAYSJIXCINU-KBPBESRZSA-N 292.379 1.073 0 50 CDAA Cc1nn[nH]c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O 583621024 LRFYGZNOGCDSJJ-LALPHHSUSA-N 292.383 1.659 0 50 CDAA COc1ccc(NC(=O)N[C@@H](C)C2CCOCC2)nn1 170609640 KBQHYQBETKFMPG-VIFPVBQESA-N 280.328 1.422 0 50 CDAA COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(C)c(C)c1 170617155 IRFRNJZQZOGVCY-UHFFFAOYSA-N 292.335 1.310 0 50 CDAA C/C(Cl)=C/C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121867 DDDMMLJRXVRQGD-MQGYJPLLSA-N 284.787 1.894 0 50 CDAA COc1ccc2c(c1)CCN2C(=O)[C@H]1CCS(=O)(=O)C1 408049058 UVZNFQDMENHPQX-NSHDSACASA-N 295.360 1.019 0 50 CDAA CCN(CC(N)=O)C(=O)c1ccc(Cl)c(F)c1 189721016 RFUBWHWNCAHXCB-UHFFFAOYSA-N 258.680 1.427 0 50 CDAA CCC[C@@]1(C)C(=O)NCCN1C(=O)Cc1ccc(O)cc1 189878521 IBMDTZFTDHEQGT-INIZCTEOSA-N 290.363 1.452 0 50 CDAA C[C@@H](c1ccccn1)N1CC[C@@H](S(=O)(=O)NC2CC2)C1 221673506 AWDYBHQWZGTUJP-WCQYABFASA-N 295.408 1.299 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N1CCC(Cn2cncn2)CC1 190518196 BWJNFSHAXUYAJX-TZMCWYRMSA-N 292.383 1.332 0 50 CDAA O=C(O)c1csc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 225392393 HMAZTYHVUWHICG-XHNCKOQMSA-N 280.349 1.894 0 50 CDAA c1ccc(-n2cnc(-c3nc(-c4cnccn4)no3)n2)cc1 225533498 DDNJQNYMEFCNGM-UHFFFAOYSA-N 291.274 1.774 0 50 CDAA Cn1cc([C@H]2CSCCN2Cc2ccon2)cn1 191198498 KJYQKXDBONCGIH-GFCCVEGCSA-N 264.354 1.698 0 50 CDAA Cc1cc(CC(=O)N2C[C@H](C(=O)O)c3ccccc32)no1 192940964 NPVHMXLSDLZHKD-LBPRGKRZSA-N 286.287 1.741 0 50 CDAA COc1ccc2nc(C(=O)N3C[C@@H]4CNC[C@@H]4C3)ccc2c1 195253459 GHPLEUCWZKMAJZ-BETUJISGSA-N 297.358 1.535 0 50 CDAA O=C(NN1Cc2ccccc2C1=O)c1coc(C2CC2)n1 777295049 CPSWVKLTSUCPKW-UHFFFAOYSA-N 283.287 1.853 0 50 CDAA NC(=O)CCn1ccnc1-c1ccc(F)c(F)c1 1875245222 QCUIENXBNCVRJJ-UHFFFAOYSA-N 251.236 1.704 0 50 CDAA CON(C)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 57053 KPVRHJIGNMLCHG-VIFPVBQESA-N 258.318 1.406 0 50 CDAA in-vitro CCc1ncc(S(=O)(=O)N2CC(CC(F)F)C2)s1 333459201 LGQCUFUJPXOINO-UHFFFAOYSA-N 296.364 1.981 0 50 CDAA O[C@@H]1CN(Cc2nccn2C2CC2)C[C@H]1Cc1ccncc1 1704341580 XDDUBZFAYSVHNU-GDBMZVCRSA-N 298.390 1.648 0 50 CDAA C[C@@H]1C(S(C)(=O)=O)=NNc2c(-c3ccccc3)cnn21 1548338223 KEBKBISAJOGBTJ-SECBINFHSA-N 290.348 1.895 0 50 CDAA O=C(N[C@@H](CO)Cc1cccnc1)c1cccc2c1OCC2 1615001591 WWMUEWIIOQYBNH-CQSZACIVSA-N 298.342 1.350 0 50 CDAA Cc1ccncc1CCNC(=O)[C@@H]1NCC12CCCC2 1615555521 QABVGCSVZXELRR-AWEZNQCLSA-N 273.380 1.581 0 50 CDAA Cc1cccc(-c2noc([C@]3(C)CCNC3=O)n2)c1F 1615548380 DEIHUXHQUWMZFE-CQSZACIVSA-N 275.283 1.962 0 50 CDAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)c1n[nH]c(=N)s1 1857673943 ULBNOJCGWZGCCL-VIFPVBQESA-N 295.412 1.178 0 50 CDAA CN(Cc1cnc2ccccc2n1)C[C@@H]1CCC(=O)N(C)C1 1775980792 APXGXTJVORDYIV-ZDUSSCGKSA-N 298.390 1.930 0 50 CDAA COCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 12595826 WZIJUDQFUVYXFU-LLVKDONJSA-N 296.754 1.204 0 50 CDAA Cc1ncncc1C(=O)Nc1cc(C(F)(F)F)n(C)n1 1647649510 YQPFZCKSOSBTGY-UHFFFAOYSA-N 285.229 1.790 0 50 CDAA Cc1nnsc1C(=O)NCc1cccnc1N(C)C 12051234 ZJCLCHSVJXYSFP-UHFFFAOYSA-N 277.353 1.238 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc(CCC(N)=O)cc1 16652345 PFQYWSKALYDGKE-UHFFFAOYSA-N 284.381 1.135 0 50 CDAA Cc1cc(NS(N)(=O)=O)ccc1Br 19484415 ISMUYKBEPHUEGF-UHFFFAOYSA-N 265.132 1.373 0 50 CDAA CC/C=C(\C)CN1CCC[C@@H](Cn2cc(CO)nn2)C1 19761024 IIONNWVKESBWGY-BRRGFWCPSA-N 278.400 1.839 0 50 CDAA C[C@@H]1Oc2ccc(C(=O)CCC(=O)O)cc2N(C)C1=O 19776044 RKJZDKGWLYIRHA-QMMMGPOBSA-N 277.276 1.478 0 50 CDAA Cc1cc(C)cc(OC[C@H](O)CN2CCN(C)CC2)c1 19790707 JDCFXZAFTPTPMD-OAHLLOKOSA-N 278.396 1.291 0 50 CDAA Cc1cc(CNC(=O)c2cc(-c3cccn3C)n[nH]2)no1 19939450 BMCCXFCUCIHZMQ-UHFFFAOYSA-N 285.307 1.642 0 50 CDAA CCc1nc(-c2cc(C)ncc2OC)n(-c2cnn(C)c2)n1 1857672104 JNZZTRSSJACEME-UHFFFAOYSA-N 298.350 1.942 0 50 CDAA O=C1C[C@H]2NCC[C@H]2N1Cc1nc2ccccc2s1 1857703091 IQFLDAOVBSATBS-GHMZBOCLSA-N 273.361 1.759 0 50 CDAA O=C(NS(=O)(=O)Cc1ccon1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 845481039 VBWRBNHMMNZBBI-JFGNBEQYSA-N 296.348 1.223 0 50 CDAA CCN1CCN(C(=O)[C@@H](C)CSC)C[C@@H]1c1ncc[nH]1 328632148 RQRIVUNTUNOGCY-NWDGAFQWSA-N 296.440 1.614 0 50 CDAA O=C1C[C@@H](C(=O)N2CC[C@H](Cc3ccccc3)C2)CN1 126098846 ANXIYWLRKYINMX-ZIAGYGMSSA-N 272.348 1.214 0 50 CDAA Cn1cc([C@H]2CCCN(c3ncnc(N)c3Cl)C2)cn1 367925427 LNGFOEODJDMHBU-VIFPVBQESA-N 292.774 1.830 0 50 CDAA C[C@H](O)CCN(C)C(=O)c1ccc2c(c1)SCC(=O)N2 368231483 LNJIBJRYXSKPQF-VIFPVBQESA-N 294.376 1.574 0 50 CDAA Cc1cc(C(=O)NCc2nc(C)c(C)[nH]2)ns1 585129871 AHGLYOSUHGGWMD-UHFFFAOYSA-N 250.327 1.721 0 50 CDAA CC(C)c1cc(C(=O)Nc2ccn(CC(=O)O)n2)on1 262981869 NCZZZDLWCRAKBM-UHFFFAOYSA-N 278.268 1.331 0 50 CDAA Cn1c(NC(=O)[C@@H]2C[C@H]2C(=O)O)nc2ccccc21 902667761 SWQDQWJQMLEEML-HTQZYQBOSA-N 259.265 1.233 0 50 CDAA Cc1csc(C)c1S(=O)(=O)N(C)c1cnccn1 903628513 QLMCZTMRMPMTRA-UHFFFAOYSA-N 283.378 1.980 0 50 CDAA C[C@]1(C(=O)NCCn2cncn2)CCOc2ccccc21 931532222 CSGVDJOZOOIOLY-HNNXBMFYSA-N 286.335 1.135 0 50 CDAA CCn1cc([C@@H](C)NC(=O)c2snnc2C)cn1 1262626952 DKGJWPGGVWHDHB-SSDOTTSWSA-N 265.342 1.554 0 50 CDAA COc1ccccc1CC(=O)N1CCCN(C)CC1 6700030 GAQYNNQVKWMGAU-UHFFFAOYSA-N 262.353 1.402 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc2[nH]ncc2c1 237495962 VECHRTKPTFWDQC-SKDRFNHKSA-N 258.325 1.515 0 50 CDAA COc1ccc(CCN2C[C@H](C(=O)O)CCC2=O)cc1 51602895 FWXBIYWCOSQKEB-GFCCVEGCSA-N 277.320 1.561 0 50 CDAA O=C(c1ccncc1F)N1CCCC[C@@H]1c1nnc[nH]1 294446463 RKHUKLGFCRDIKL-LLVKDONJSA-N 275.287 1.706 0 50 CDAA CC(C)(O)[C@@H]1CCCN1c1ncnc(N)c1Cl 302831229 LBQAFYJOQZVBED-ZETCQYMHSA-N 256.737 1.452 0 50 CDAA O=C(N[C@H]1C[C@H](C(=O)O)C1)c1nccc2ccccc12 426504680 YSVLSIOTNIEBJS-XYPYZODXSA-N 270.288 1.828 0 50 CDAA COCC1(CN=c2[nH]cnc3[nH]ccc23)CCCC1 450917934 GLCRTPDDLBJCIA-UHFFFAOYSA-N 260.341 1.999 0 50 CDAA O=C(O)c1coc(C(=O)N2CCC[C@]23CCOC3)c1 389144272 VWBGDIQHORRYGU-CYBMUJFWSA-N 265.265 1.373 0 50 CDAA CSC[C@H](C)C(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 398778761 MQXAZRYXBPWXDW-FIQHERPVSA-N 257.399 1.605 0 50 CDAA CN=c1cc(C)nc(-c2cccc(CC(=O)O)c2)[nH]1 2100477680 HCMPNNNEADEFNT-UHFFFAOYSA-N 257.293 1.543 0 50 CDAA CC(C)(C)[C@@H]1CN(C=O)[C@H](C(C)(C)C)CN1C=O 332336 GBBYRLWKDUXXGO-RYUDHWBXSA-N 254.374 1.746 0 50 CDAA C[C@H]1CC[C@@H]2CN=C(NCc3ccns3)N2C1 2325801535 MIUCAMIIDLXAGQ-VHSXEESVSA-N 250.371 1.703 0 50 CDAA CC[C@@H](C)C(=O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)C 2325811299 NDRQCPVMJYHAHI-OLZOCXBDSA-N 296.411 1.755 0 50 CDAA O=C(N[C@@H]1CC[C@@H]2C[C@H]21)c1ccnn1-c1ccncc1 2325811907 HFGYCBWBYSIYHG-RAIGVLPGSA-N 268.320 1.796 0 50 CDAA O=C(/C=C/c1cc[nH]c1)Nc1cccc2c1CNC2=O 2325883404 PVSPZKOTXAUAMA-SNAWJCMRSA-N 267.288 1.910 0 50 CDAA NC(=O)c1csc(CN[C@H]2CCOC23CCCC3)n1 903201379 YVTFOZPSJKGUIY-JTQLQIEISA-N 281.381 1.433 0 50 CDAA Cn1cc([C@H]2CN(c3nc(C(=O)O)co3)CC2(C)C)cn1 910385410 ZQVKBIJQHJIHQK-SNVBAGLBSA-N 290.323 1.736 0 50 CDAA CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OC 34858 IPVFIUNSRVKGDD-SKDRFNHKSA-N 283.349 1.882 0 50 CDAA CC(=O)Nn1c(C)nc2sc3c(c2c1=O)CCCC3 284276 VWXRKVOAVCBYTF-UHFFFAOYSA-N 277.349 1.735 0 50 CDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCc1ccccn1 375408 FDGKNNDZRJOOHJ-RYUDHWBXSA-N 262.309 1.589 0 50 CDAA COC[C@@H](C)NC(=O)c1ccccc1OC(C)=O 456848 JIOLBGQKAQWPLK-SECBINFHSA-N 251.282 1.377 0 50 CDAA COc1cc(NC(=O)c2ccccc2)nc(OC)n1 2387858 KHTWANKRBONEDH-UHFFFAOYSA-N 259.265 1.746 0 50 CDAA Cc1cccc(CC(=O)N2CCC[C@]23CCCNC3=O)c1 2356148768 QTMKUWPFAMNLFF-KRWDZBQOSA-N 286.375 1.809 0 50 CDAA O=C1NC(=O)[C@H](Nc2ccccc2C(=O)O)S1 3866486 VQTCTUOHTJTVCO-MRVPVSSYSA-N 252.251 1.106 0 50 CDAA CC[C@@H]1CN(c2nc(C)ccc2C(=O)O)CCO1 54533803 HVSDUQVKUGBGQK-SNVBAGLBSA-N 250.298 1.703 0 50 CDAA Cc1ccc(N2C[C@H](C(=O)NC3CC3)CC2=O)cc1C 9236827 JHLJAQBSHRRNNA-GFCCVEGCSA-N 272.348 1.935 0 50 CDAA O=C1[C@@H]2[C@@H]3CCC[C@@H]3CN2C(=O)N1CCC[C@H]1CCOC1 420029608 FSUADSPZWKBTKU-DGAVXFQQSA-N 292.379 1.866 0 50 CDAA COc1ccnc(C(=O)NCCc2nccs2)c1 116008962 MYHDBZIUHDRBLH-UHFFFAOYSA-N 263.322 1.519 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)c1cccc(Cn2ccnc2)c1 347491772 GNVHWMXNNLBJMM-UHFFFAOYSA-N 295.346 1.927 0 50 CDAA CCCn1nc(C(=O)O)c2c1CC[C@@H](N1CCCC1)C2 67758486 XNUVETPAQNNYDL-LLVKDONJSA-N 277.368 1.944 0 50 CDAA O=C(NCc1ccncc1)c1cnc2sccn2c1=O 28576014 VEAZEFVEHMLUHY-UHFFFAOYSA-N 286.316 1.081 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnccn1 249698767 WJHGNWPKROQRQW-ZIAGYGMSSA-N 274.368 1.566 0 50 CDAA COc1cc(F)c(C(=O)NCc2ccon2)c(F)c1 20913130 JGLHITJLWKUJSD-UHFFFAOYSA-N 268.219 1.891 0 50 CDAA CC(C)(C)c1cc(CN2C[C@@H](C(=O)O)CC2=O)[nH]n1 65428435 TYLJNGFNEKCDAW-QMMMGPOBSA-N 265.313 1.140 0 50 CDAA C[C@@H](CN1CCOCC1)OC(=O)/C=C/c1ccco1 20064942 DPTCNVNTJCTOJC-ITKZLYELSA-N 265.309 1.557 0 50 CDAA Cc1nonc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 119614937 LHAOEHVVLWHFBI-JTQLQIEISA-N 273.248 1.098 0 50 CDAA C[C@H](C(=O)NCC(F)(F)F)N(C)C[C@H]1CCCCO1 241942398 UMGFQTBMGKDCLS-NXEZZACHSA-N 282.306 1.554 0 50 CDAA Cc1ccccc1N([C@H](C)C(=O)O)S(C)(=O)=O 20130938 VAKXRJWLBSARCI-SECBINFHSA-N 257.311 1.234 0 50 CDAA Cc1nc(CC2CC2)sc1C(=O)NC[C@H](C)CN 423449923 GTHOKYRBEFNQFV-MRVPVSSYSA-N 267.398 1.729 0 50 CDAA Cc1nc(CN(C)C(=O)COc2ccc(F)cc2)no1 67856185 IQFXVRMVKWFJCN-UHFFFAOYSA-N 279.271 1.555 0 50 CDAA Cc1cnn([C@H]2CCN(C(=O)c3csc(O)n3)C2)c1 330333110 YFUOOXUOXZLCIG-VIFPVBQESA-N 278.337 1.441 0 50 CDAA Cc1ncc(C(=O)N2CCOCC[C@H]2C)c(C2CC2)n1 369865764 UMBOPIFEGADTSZ-SNVBAGLBSA-N 275.352 1.913 0 50 CDAA O=C(Cc1ccc(F)cn1)N1CCO[C@H](c2ccco2)C1 253405882 SJFBIHPXXFKAHH-AWEZNQCLSA-N 290.294 1.956 0 50 CDAA CN(c1cc(Cl)nc(N)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 156744836 NLGAJRBRXYEZKY-XROYCOCOSA-N 282.775 1.962 0 50 CDAA O=C1CCCCN1[C@@H]1CCCN(CC2(O)CCOCC2)C1 362153312 FVKZEOBPQVDENF-CQSZACIVSA-N 296.411 1.005 0 50 CDAA CC(C)c1nccn1CCC(=O)N1C[C@H](C)N[C@@H](C)C1 153836351 UBGFLJFKDNQDCM-STQMWFEESA-N 278.400 1.605 0 50 CDAA Cc1cnc(CNC(=O)c2cnn3c2CCCC3)cn1 72149332 CUAURBZYGGDNNA-UHFFFAOYSA-N 271.324 1.248 0 50 CDAA CC(C)(C)n1cc(CN2CCO[C@H]3CCOC[C@H]32)nn1 366495369 GFZWMVDRXRXQAM-OLZOCXBDSA-N 280.372 1.023 0 50 CDAA CC1=NNC(=O)[C@H]1CCNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 524386921 QKISNCFETBRYRR-RVMXOQNASA-N 277.368 1.441 0 50 CDAA CCOC(=O)CC(=O)CSc1nccc(C)n1 32919323 LMIHQKJEGQDYJP-UHFFFAOYSA-N 254.311 1.399 0 50 CDAA COc1cccc2[nH]c(C(=O)NCCCC(=O)O)cc12 35686344 NRXYCQUZJXCDTJ-UHFFFAOYSA-N 276.292 1.771 0 50 CDAA CS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 329452483 NHTZTBLLRFQUNH-UHTWSYAYSA-N 285.409 1.316 0 50 CDAA CCc1ccnc(C(=O)N2CCO[C@]3(CCCOC3)C2)c1 286254826 HDBGCTFWHGYVFX-MRXNPFEDSA-N 290.363 1.666 0 50 CDAA Cc1cccc(C(=O)N2CCOC[C@@H]2c2ncon2)c1F 331982346 YFRZZUJBZIYWIK-LLVKDONJSA-N 291.282 1.731 0 50 CDAA COC(=O)[C@@]1(c2ccc(Br)cc2)CO1 218777423 IPFVRESNIKTZHL-JTQLQIEISA-N 257.083 1.848 0 50 CDAA O=C(NC1(CO)CC1)[C@H]1C[C@@]12CCOc1ccccc12 332780807 GNJLTKNRIBUTIY-MLGOLLRUSA-N 273.332 1.368 0 50 CDAA COc1cccc(-n2cc(CN=c3[nH]nc(C)o3)nn2)c1 376218944 LUOFJTWIALMOTG-UHFFFAOYSA-N 286.295 1.001 0 50 CDAA COc1ccc([C@H](N)C(=O)O)cc1Br 38052324 YUBQGLKBIWHTOC-QMMMGPOBSA-N 260.087 1.542 0 50 CDAA CS(=O)(=O)CC1(Cn2ccc3ccsc3c2=O)CC1 333469887 WARBSWJIUNNYFI-UHFFFAOYSA-N 297.401 1.888 0 50 CDAA O=C1CO[C@@H]2CCN(Cc3cccc4ccoc34)C[C@H]2N1 333822090 JYWMLRVYVLELRU-ZIAGYGMSSA-N 286.331 1.522 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NCCc1ccc(OCC(=O)O)cc1 237508088 ULTRKOFVVRDBHA-MFKMUULPSA-N 277.320 1.465 0 50 CDAA Cc1cc(NC(=O)c2cc(-n3cccn3)ccn2)n(C)n1 129193716 FNTJHSZDRWUDPB-UHFFFAOYSA-N 282.307 1.562 0 50 CDAA Cc1c(Cl)c(C(=O)N2CCN[C@@H](C)[C@@H]2C)nn1C 335042612 DINNVLZDBPGFMR-YUMQZZPRSA-N 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XNHDQXJYSYHYSI-UHFFFAOYSA-N 264.325 1.729 0 50 CDAA Cc1nc[nH]c1CN[C@H]1CCCN(C(=O)c2ccco2)C1 952968487 MEILGBGQVFKRLQ-LBPRGKRZSA-N 288.351 1.706 0 50 CDAA COCc1cc(C2CN(C(=O)[C@H]3CCC(C)(C)O3)C2)no1 886085753 NPSUMENPXNMFRB-CYBMUJFWSA-N 294.351 1.704 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cnnn2C)C1 888102740 JTHWBZCYKVNGIY-OLZOCXBDSA-N 290.371 1.117 0 50 CDAA Cc1nc(NCCNC(=O)C(C)C)cc(N(C)C)n1 44213689 NPUHHNIUNRYXNR-UHFFFAOYSA-N 265.361 1.035 0 50 CDAA Cc1nc[nH]c1CC(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 1775957899 RRKVSBDREADCOU-WCQYABFASA-N 289.339 1.100 0 50 CDAA C[C@H](C(=O)N1CCCC[C@H]1Cc1nn[nH]n1)C1CC1 1775987594 FDHNKIMJSXSHTD-ONGXEEELSA-N 263.345 1.169 0 50 CDAA CCN([C@@H](C)C(=O)O)S(=O)(=O)c1cc2ccccc2o1 899564989 VMLTYIZXKMDLMB-VIFPVBQESA-N 297.332 1.917 0 50 CDAA COCCCNC(=O)CNC(=O)OCc1ccccc1 49412369 JVQSDPXPFAVXGF-UHFFFAOYSA-N 280.324 1.066 0 50 CDAA in-vitro O=S1(=O)CCCC[C@@H]1CNCc1cccn1C(F)F 1423046760 DHJOYHVXTXNHHL-LLVKDONJSA-N 292.351 1.940 0 50 CDAA CC(C)(CNC(=O)C(F)(F)C1(O)CCC1)n1cccn1 898920919 ICOKFVTUHVNHIB-UHFFFAOYSA-N 287.310 1.285 0 50 CDAA CCS(=O)(=O)N1CCN(Cc2cccc(OC)c2)CC1 19520366 VXYDTALHCSZGLR-UHFFFAOYSA-N 298.408 1.163 0 50 CDAA CCc1ncsc1C(=O)N[C@@H](C)c1ncon1 272239773 XBYXRISHHCWSDG-LURJTMIESA-N 252.299 1.580 0 50 CDAA Cc1ccnc(N2CCN(c3ncc(F)cn3)CC2)n1 273490380 MIBBBGMKSWVWEF-UHFFFAOYSA-N 274.303 1.041 0 50 CDAA CC/C=C/CCN1CC[C@@](O)(Cn2ccnn2)C1 671554687 KRJWUIYSKIJEHU-OOPCZODUSA-N 250.346 1.071 0 50 CDAA c1cc(CNC[C@@H]2CCc3nccn3C2)c2c(c1)OCO2 275700356 XMVJCLOGRQVJTK-LBPRGKRZSA-N 285.347 1.964 0 50 CDAA O=C(NC[C@H]1CCNC1)c1c(F)c(F)cc(F)c1F 170075228 HWCJXIYVYCZFGD-LURJTMIESA-N 276.233 1.582 0 50 CDAA NC(=O)[C@H]1CCC[C@H](NC(=O)CCc2ccsc2)C1 172429094 UXBBIIHXIHKGEM-RYUDHWBXSA-N 280.393 1.841 0 50 CDAA CC(C)C(CN1CC[C@@](O)(c2cnn[nH]2)C1)C(C)C 583617386 DQWSZCGPDNZBIY-AWEZNQCLSA-N 266.389 1.626 0 50 CDAA Cc1nnc(CN2CCC(N3CCOCC3)CC2)s1 585123458 XIOWTIPKECWXIH-UHFFFAOYSA-N 282.413 1.143 0 50 CDAA O=C(COC[C@H]1CCCO1)Nc1cnn2ccccc12 585125636 ZTMLFVKPRUUSCR-LLVKDONJSA-N 275.308 1.468 0 50 CDAA CCS[C@@H]1CCCCN(C(=O)C2(n3cnnn3)CC2)C1 585102488 HZVZTOHXAHLTBL-LLVKDONJSA-N 295.412 1.296 0 50 CDAA CCOC[C@H]1CCN(C(=O)CCSC(C)=O)C1 408517940 PUVJCGBETFLAIT-NSHDSACASA-N 259.371 1.541 0 50 CDAA CC(C)(C(=O)O)n1cc(NC(=O)C[C@@H]2C=CCC2)cn1 193016074 CWZKRRFTBBJVPR-SNVBAGLBSA-N 277.324 1.998 0 50 CDAA Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2ncc[nH]2)c1 195047660 BALAYFFUTUBYNJ-UHFFFAOYSA-N 293.348 1.439 0 50 CDAA O=C(NC1CCN(CC(F)(F)F)CC1)c1ccon1 195393790 VBKZDDHHFLBZEW-UHFFFAOYSA-N 277.246 1.431 0 50 CDAA CCC(CC)(C(=O)O)C(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1 656853148 UDMFVBVIYDXBLH-SRVKXCTJSA-N 282.384 1.463 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCC(=O)NC23CCC3)c(C)nn1 669998142 MGOZINFZYJDRIW-LBPRGKRZSA-N 288.351 1.025 0 50 CDAA Cc1cccc(=O)n1CCC(=O)Nc1cnn(C(C)C)c1 1506419730 JEIXPGLSLVVGDK-UHFFFAOYSA-N 288.351 1.963 0 50 CDAA CC(=O)NCCNc1ccc(Br)c(C)n1 230075260 FOJGJXJCRADBHJ-UHFFFAOYSA-N 272.146 1.701 0 50 CDAA CC(C)(O)[C@@H]1CCN(C(=O)c2ccc(CO)o2)C1 215091040 LXCOZVXPUDKZSP-SECBINFHSA-N 253.298 1.005 0 50 CDAA Cc1ccc(CNC(=O)N2C[C@H](O)[C@@H](F)C2)cc1 1615751374 PHPLHBOIZRGFOH-RYUDHWBXSA-N 252.289 1.219 0 50 CDAA Cc1ccc(OCCN2CC[C@H](O)[C@H](CO)C2)c(C)c1 1616084102 VAKHUIONFUVZRO-GJZGRUSLSA-N 279.380 1.357 0 50 CDAA COCCN1CCC(CNC(=O)CC2(OC)CCC2)CC1 252483372 DZUZNDBXYQYPDB-UHFFFAOYSA-N 298.427 1.420 0 50 CDAA O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1C[C@H](O)CN1 150688759 TXLKQHABRSDILA-ONGXEEELSA-N 289.162 1.332 0 50 CDAA CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2)C1(C)C 161556888 WEEHSGKQHDRZLP-SRVKXCTJSA-N 254.374 1.400 0 50 CDAA Cn1ccn2ncc(C(=O)N3CCC(C4(O)CC4)CC3)c12 1772814003 FCFOQFMYOWFRLY-UHFFFAOYSA-N 288.351 1.050 0 50 CDAA CC(C)CN(CC(C)C)C(=O)CN1C[C@H]2C[C@@H](O)[C@H]2C1 1772711231 WYVYPQLWMSGTPT-QLFBSQMISA-N 282.428 1.440 0 50 CDAA CC[C@@]12C[C@H]1CN(C(=O)c1nn(C)c(=O)c3ccccc13)C2 1772814891 SVCDRQSWKAJLFB-GTNSWQLSSA-N 297.358 1.806 0 50 CDAA C[C@]12C[C@H]1CN(S(=O)(=O)c1cccc3c1OCCO3)C2 1775979721 OLKNSNLEFITYBM-IINYFYTJSA-N 295.360 1.488 0 50 CDAA O=C(O)c1cccc(CN2C[C@@H]3COCC[C@]3(CO)C2)c1 1772711760 FQYOAWDXWUVGJN-GDBMZVCRSA-N 291.347 1.216 0 50 CDAA OCc1ccccc1OCCCN1CCOCC1 20652695 GMNAUVHKPYTUQA-UHFFFAOYSA-N 251.326 1.280 0 50 CDAA CCOc1ccc(NC2=NC(=O)[C@H](CC(=O)O)S2)cc1 5931096 HVUTXCOAMAOSPL-JTQLQIEISA-N 294.332 1.970 0 50 CDAA O=C1O[C@@H]2CN(c3cnccn3)C[C@@H]2N1C1CCCC1 11841582 BAYZPJSRITUCBG-NWDGAFQWSA-N 274.324 1.429 0 50 CDAA CCCCN(C)C(=O)CSc1ccc2nnc(C)n2n1 11872229 ZAIZTSJKSCNOGV-UHFFFAOYSA-N 293.396 1.783 0 50 CDAA Cc1cc(C(=O)N2CCN(c3nnc(C)s3)CC2)no1 1647607915 JDSMTFVDMZNYKQ-UHFFFAOYSA-N 293.352 1.105 0 50 CDAA O[C@H](COC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 19607182 XWJKGJYZVKNBCC-KLZNEWFBSA-N 295.423 1.665 0 50 CDAA Nc1cncc(N2CCC(c3ccncc3)CC2)n1 1857674026 XVUNJMWIMLKERX-UHFFFAOYSA-N 255.325 1.838 0 50 CDAA Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1C[C@H]2C[C@@H](N)[C@H]2C1 1857528896 XUXBHUYFKXWUBI-UZGDPCLZSA-N 288.395 1.287 0 50 CDAA O=C(c1ccn2ncnc2c1)N1CC[C@H](c2cc[nH]n2)C1 1857677535 GVAAKKPFJQZFIL-NSHDSACASA-N 282.307 1.082 0 50 CDAA COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H]1CCCO1 8843648 OLKNXEOXMHABML-LBPRGKRZSA-N 299.392 1.769 0 50 CDAA Cn1cccc1-c1nnc2ccc(C(=O)N3CCCC3)cn12 1875244947 CGUVJQIKWFSUDC-UHFFFAOYSA-N 295.346 1.971 0 50 CDAA NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2039722 WDASILDKNHAVRK-UHFFFAOYSA-N 267.288 1.356 0 50 CDAA in-vitro O=C(Nc1cccnc1O)c1nnc(O)c2ccccc12 625201343 PEDXJBCODHHKOV-UHFFFAOYSA-N 282.259 1.688 0 50 CDAA O=C(O)C[C@H]1N=C(S)N(c2ccccc2)C1=O 5933831 NFUCNAREVSTFNC-MRVPVSSYSA-N 250.279 1.162 0 50 CDAA in-vitro CC[C@H]1COCCN1C(=O)NCc1nc(C(C)(C)C)n[nH]1 333679251 ZMHLIFFKOXURRJ-JTQLQIEISA-N 295.387 1.423 0 50 CDAA C[C@](O)(CN1CC[C@H](c2c(F)cccc2F)C1)C(=O)O 577957840 JZYCTNLMNDNQPW-XPTSAGLGSA-N 285.290 1.590 0 50 CDAA NC(=O)C[C@@H]1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)C1 377183565 JBNQVSVQYQYEMT-ZDEQEGDKSA-N 264.369 1.537 0 50 CDAA CC(C)[C@H](CCO)NC(=O)c1cn2c(n1)CC[C@H](C)C2 585122472 MFNGXPLQQQQOMT-RYUDHWBXSA-N 279.384 1.602 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@@H]1CCCOC1)c1ccc(F)cc1 262775305 ARNHRCJIOMHCFF-DGCLKSJQSA-N 295.310 1.537 0 50 CDAA CON1CCN(C(=O)C[C@H]2CCC3(CCC3)O2)CC1 909292125 NHVIWFCAVFCSER-GFCCVEGCSA-N 268.357 1.184 0 50 CDAA O=C(O)c1ccc2c(c1)CN(C(=O)CCc1ncc[nH]1)C2 910039923 IDEKOVPPVCWWPM-UHFFFAOYSA-N 285.303 1.583 0 50 CDAA OC[C@H](O)C1CCN(CCOc2ccccc2)CC1 1772708046 CIIMJOXUZRGORY-HNNXBMFYSA-N 265.353 1.131 0 50 CDAA Cc1nnc([C@@H](C)N[C@@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)s1 926164458 MJSVRSVSALUCBV-YUWOIBKQSA-N 265.382 1.921 0 50 CDAA CCOc1cccc(CN2CCCNC(=O)[C@@H]2CC)n1 933230259 SSJWEBNOYZFOTA-ZDUSSCGKSA-N 277.368 1.581 0 50 CDAA C=CC(=O)N(C)CC(=O)NCc1c(CC)noc1CC 859981825 DCVWLDFEYSGNAX-UHFFFAOYSA-N 279.340 1.060 0 50 CDAA Cc1ccc(C)c(CC(=O)N[C@@H]2CCOC[C@H]2O)c1 219572248 NIDRFBGDFNMVKF-ZIAGYGMSSA-N 263.337 1.112 0 50 CDAA COc1ccc(OC[C@H](O)CN2CCCCC2)cc1 189905 RDFFRMBMQFHLKQ-CYBMUJFWSA-N 265.353 1.921 0 50 CDAA aggregator O=C(N1CCOCC1)N1CCN(c2ccccc2)CC1 447697 HYSVKZRGQBZLJC-UHFFFAOYSA-N 275.352 1.261 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3N2)C[C@@H](C)O1 226902015 FVPXPRVAVSOSRE-JTNHKYCSSA-N 260.337 1.659 0 50 CDAA CCCCn1nnnc1CN1C[C@H](C)OC[C@H]1C 252457557 RDUJGKPPVHBQAD-MNOVXSKESA-N 253.350 1.082 0 50 CDAA Cc1cccc(C(=O)N(CC(=O)O)C2CCOCC2)c1 237600425 ASIWNKSOASBCJH-UHFFFAOYSA-N 277.320 1.701 0 50 CDAA C[C@@H](O)C1CCN(C(=O)CCc2ccncc2)CC1 169805629 FEZPKZYRABZXCS-GFCCVEGCSA-N 262.353 1.634 0 50 CDAA CN(C)CC1(O)CCN(CC2=CCCCC2)CC1 670450924 SATZTAIHXFJIIQ-UHFFFAOYSA-N 252.402 1.875 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)n(C)n1 379022536 BKQHKXIKTPXFQI-WPRPVWTQSA-N 290.289 1.223 0 50 CDAA CC(=O)Nc1cc(NC(C)=O)c(C)c(C(=O)O)c1 129479 CHXKMNDKCFFHGT-UHFFFAOYSA-N 250.254 1.610 0 50 CDAA CC(=O)NC[C@H]1CN(c2ccc(C(C)=O)cc2)C(=O)O1 5167584 POXUJOYUVLWPQN-ZDUSSCGKSA-N 276.292 1.351 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1cc[nH]c2nccc1-2 2325771355 JKRQIUOVOXZABY-CQSZACIVSA-N 261.325 1.795 0 50 CDAA Cc1c(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)O)C2)noc1C1CC1 2325784375 YFHCWIYNAAKFHV-FEUHOPSXSA-N 290.319 1.844 0 50 CDAA Cc1cnc(Cn2cc(COc3cccc(O)c3)nn2)cn1 2325863517 MBUIUMKQHAOUJX-UHFFFAOYSA-N 297.318 1.709 0 50 CDAA O[C@H](Cn1ccnc1-c1ccccc1)C1(O)CCC1 899879080 ZYAFVBHGKKUTNQ-CYBMUJFWSA-N 258.321 1.826 0 50 CDAA Cc1ccc(NC(=O)C(=S)N2CCOCC2)cc1 53556 REBFEFMQCGOLNF-UHFFFAOYSA-N 264.350 1.593 0 50 CDAA Cc1ccccc1NC(=O)C[C@@H](C(=O)O)N(C)C 195874 JFFJTSPKUAQRKL-NSHDSACASA-N 250.298 1.338 0 50 CDAA O=C(N[C@H](O)C(Cl)(Cl)Cl)c1ccncc1 284007 VTRPTXFUUFYVGR-SSDOTTSWSA-N 269.515 1.500 0 50 CDAA Cc1ccccc1N(CC(=O)NC1CC1)S(C)(=O)=O 328884 KGQRIUAMQSDBRH-UHFFFAOYSA-N 282.365 1.040 0 50 CDAA Cc1c(C(=O)NN2CCN(C)CC2)oc2ccccc12 4749939 HSAQBMVUBOJJHO-UHFFFAOYSA-N 273.336 1.633 0 50 CDAA Cn1c(=O)n(C)c2cc(CNC3CCCC3)ccc21 6670045 YOUYNSDGJHLMQQ-UHFFFAOYSA-N 259.353 1.909 0 50 CDAA CC1(C)C[C@@H](NS(C)(=O)=O)c2ccccc2O1 10544157 DJIGRROWTHEYQC-SNVBAGLBSA-N 255.339 1.838 0 50 CDAA Cc1nn(C)c(C)c1OCc1ncnn1C(C)(C)C 282368409 YBEAIGDDERSBDF-UHFFFAOYSA-N 263.345 1.962 0 50 CDAA CC(C)n1ccc(CNC2(CO)CCOCC2)n1 227278483 UOKGKINXXFZYNA-UHFFFAOYSA-N 253.346 1.095 0 50 CDAA CC(=O)NCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 67446655 IRRLISILODCLAA-ZDUSSCGKSA-N 296.754 1.376 0 50 CDAA Cc1nccn1CCN(C)c1cc(NC2CC2)nc(N)n1 65406300 AUPPDJZAEJXMIE-UHFFFAOYSA-N 287.371 1.274 0 50 CDAA Cc1nnnn1-c1ccc(O[C@@]23CCCN(CC2)C3)cc1 67921942 YQZASPOXVKCMTG-HNNXBMFYSA-N 285.351 1.588 0 50 CDAA COc1ccc([C@H](O)CNc2ccc3nc(C)nn3n2)cc1 252484095 FOSVQUXSKLEIGX-CYBMUJFWSA-N 299.334 1.587 0 50 CDAA CN1CCN(CCCCOc2ccc(CO)cc2)CC1 22995815 FOXVSTUFPDKNPO-UHFFFAOYSA-N 278.396 1.585 0 50 CDAA CC(C)CC1(CNC(=O)C2=NN(C)C(=O)CC2)CCC1 151352120 OAKSOLNESCKEDJ-UHFFFAOYSA-N 279.384 1.927 0 50 CDAA COc1nc2ccccc2cc1-c1cnn(CCC(N)=O)c1 67688690 DOPYTNKJODQPOW-UHFFFAOYSA-N 296.330 1.982 0 50 CDAA O=c1c2cccnc2ncn1Cc1ccc2c(c1)OCO2 32534948 WOZORHQDULJUBS-UHFFFAOYSA-N 281.271 1.569 0 50 CDAA CCN(c1ccc(C(=O)OC)cc1)S(C)(=O)=O 216703212 HDMXZNFVDMPATQ-UHFFFAOYSA-N 257.311 1.259 0 50 CDAA Cc1ncc(C(=O)N2CC[C@](O)(C3CC3)C2)c(C2CC2)n1 367198877 GWENXLWCKJZKLP-MRXNPFEDSA-N 287.363 1.649 0 50 CDAA Cn1cc(Cl)cc1C(=O)NC[C@@H]1CCn2ccnc2C1 328636991 VVQYKVNPPINNMK-SNVBAGLBSA-N 292.770 1.867 0 50 CDAA CCc1nc(CN2CCOC[C@@H](C3CCC3)C2)n[nH]1 368349118 PXVICNINMORFIJ-LBPRGKRZSA-N 264.373 1.616 0 50 CDAA COc1cc(C)ccc1OCCC(=O)N1CCNC[C@H]1C 124634145 ZQQBAERYUBHDEE-CYBMUJFWSA-N 292.379 1.593 0 50 CDAA CCc1oc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1C 375224301 ZAXXPOPIOXASTE-ABAIWWIYSA-N 290.363 1.937 0 50 CDAA CCc1nnc(C)cc1C(=O)N[C@H]1COCC1(C)C 456540806 MEBCCNAAZLTZPH-LBPRGKRZSA-N 263.341 1.502 0 50 CDAA CCN(CC(=O)O)C(=O)c1ccc(N2CCC(C)=N2)cc1 236979935 PRKLHURGVZOFGY-UHFFFAOYSA-N 289.335 1.819 0 50 CDAA CC(C)c1n[nH]c(CN2CC[C@@]3(CCCN(C)C3)C2)n1 339434225 QMXPOQYAMSLZFL-OAHLLOKOSA-N 277.416 1.846 0 50 CDAA CN(C)c1nc(N)cc(-c2ccnc3c2ccn3C)n1 72426954 UPUNGNYSXKAFJK-UHFFFAOYSA-N 268.324 1.679 0 50 CDAA CN(C)Cc1cccc(C(=O)Nc2nccn2C)c1 412733756 SDQNQOBDHOPLEY-UHFFFAOYSA-N 258.325 1.734 0 50 CDAA CCc1ccc(CN2CCN3CCN(C)C[C@@H]3C2)o1 215365478 YATWVNYXCRJWIU-CYBMUJFWSA-N 263.385 1.274 0 50 CDAA O=C(NCCn1ccnc1)N1CCO[C@H](c2ccco2)C1 176482120 UQNCVUMHWNZXMW-ZDUSSCGKSA-N 290.323 1.259 0 50 CDAA CN1CCO[C@@H]2CCN(c3ccncc3Cl)C[C@@H]21 285130100 SANOBTUFOWEENW-QWHCGFSZSA-N 267.760 1.644 0 50 CDAA CCc1cncc(C(=O)N2C[C@@H](COC)OC(C)(C)C2)c1 285662169 YLFRZNQHGDBMPA-AWEZNQCLSA-N 292.379 1.910 0 50 CDAA C[C@H](CC(=O)NCc1ccc(C(=O)O)o1)n1cccn1 221346194 PMXRMDJEKHRPPG-SECBINFHSA-N 277.280 1.442 0 50 CDAA CC[C@H]1C(=O)N(C)CCN1C(=O)c1cccnc1C 220678406 YEQTZUWVHZVJOF-LBPRGKRZSA-N 261.325 1.083 0 50 CDAA CC(C)c1noc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)O)C2)n1 426739722 JOQHSPTXQDVTNS-VHSXEESVSA-N 295.339 1.652 0 50 CDAA CN(C(=O)c1nn(-c2ccccc2)cc1O)[C@@H]1CCNC1 179046206 PKDAVHXLEVJKAC-GFCCVEGCSA-N 286.335 1.012 0 50 CDAA CC(C)[C@@H](NC(=O)C1(N2CCCC2)CCCC1)C(=O)O 426510581 DJJZUUOZCHSXII-GFCCVEGCSA-N 282.384 1.620 0 50 CDAA Cc1ccc(OC2CN(C(=O)N[C@H](C)CN(C)C)C2)cc1 426647865 DCTQBCFAIHSTPM-CYBMUJFWSA-N 291.395 1.718 0 50 CDAA COCCN(Cc1ccncc1)C(=O)C[C@@H]1CCOC1 426715851 JIDQCDPYYXPNHO-AWEZNQCLSA-N 278.352 1.483 0 50 CDAA CCc1nnc(CNC(=O)[C@H](C)n2ccnc2C)s1 426674038 KDPDAJHWBGFGQW-QMMMGPOBSA-N 279.369 1.483 0 50 CDAA CCc1nccn1CC(=O)N1CCC[C@](C)(O)CC1 220537648 NHJMYZPYFNXUAE-AWEZNQCLSA-N 265.357 1.209 0 50 CDAA CN(Cc1ncon1)C(=O)c1cn2cc(Cl)cnc2n1 426425202 IHSFTJHXYBLVDY-UHFFFAOYSA-N 292.686 1.038 0 50 CDAA CN(Cc1ccc(OCC(=O)O)cc1)Cc1nccn1C 97717161 JZCUBLXGQFLFBD-UHFFFAOYSA-N 289.335 1.516 0 50 CDAA CC(C)[C@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1N(C)C 91616775 HNBRWFPBCBJDEM-KGLIPLIRSA-N 293.415 1.103 0 50 CDAA CO[C@@H]1CCCOC12CCN(c1ccncn1)CC2 95363168 ZVXGBPIUTJXHLG-GFCCVEGCSA-N 263.341 1.641 0 50 CDAA O=C(O)CCCC(=O)NC[C@@H]1CCN(C2CCCC2)C1 426358962 HFUMWXRCERYLMV-LBPRGKRZSA-N 282.384 1.622 0 50 CDAA COc1nccnc1-c1ccc(C(=O)N[C@@H](C)CO)cc1 426512315 SEPPWSWNYLGXPI-JTQLQIEISA-N 287.319 1.263 0 50 CDAA Cc1noc(C(C)(C)NC(=O)CCc2cnn(C)c2)n1 332280928 FHYLLFBIWOHIMS-UHFFFAOYSA-N 277.328 1.096 0 50 CDAA C[C@H](c1nccs1)N(C)Cc1cn[nH]c1C(=O)O 97155784 RDLWUSRORLHDEO-SSDOTTSWSA-N 266.326 1.757 0 50 CDAA COCC[C@@]1(CO)CCCN(Cc2ccncc2)C1 91845617 AXABINBRAPAUBU-HNNXBMFYSA-N 264.369 1.693 0 50 CDAA CCc1cnc(N)nc1NCCCn1nc(C)nc1C 95386945 ASVSZDVLYAMNKF-UHFFFAOYSA-N 275.360 1.332 0 50 CDAA Cc1cc(C)n(CCc2nc([C@@H]3CCOC3)no2)n1 96142032 VWIAAECYEURBJX-LLVKDONJSA-N 262.313 1.630 0 50 CDAA CC(C)(C)OC(=O)N1CCNC[C@@H]1C(F)(F)F 95642327 ODGMABGNQLJFIX-SSDOTTSWSA-N 254.252 1.758 0 50 CDAA O=C(NC1CC1)[C@@H](O)C1CCN(Cc2ccccc2)CC1 299743545 LGDSLIRADGYJDH-INIZCTEOSA-N 288.391 1.538 0 50 CDAA O=C(c1cc(C2CC2)no1)N1CCC[C@H]1Cn1ccnn1 299745591 RGUHLVPWFZQJRZ-NSHDSACASA-N 287.323 1.448 0 50 CDAA Cc1ncsc1CCC(=O)N[C@@H]1CCc2c[nH]nc2C1 622433015 WQVDSKVQIXGXRQ-LLVKDONJSA-N 290.392 1.781 0 50 CDAA Cc1ncc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)[nH]1 630185167 KOIZZIRTLHLACO-JTQLQIEISA-N 287.319 1.834 0 50 CDAA CCc1noc(CCNC(=O)Nc2cnn(C)c2C)n1 299799300 FJGXGCWPWWGBGV-UHFFFAOYSA-N 278.316 1.038 0 50 CDAA c1nc(CCCc2cn[nH]c2)n(-c2ccc3c(c2)OCO3)n1 820385564 QRVCOMDLBNQCIQ-UHFFFAOYSA-N 297.318 1.894 0 50 CDAA O=C(CN1CCCCCC1)N1CCCC[C@H]1CO 828710937 QEJZVIKSMZQAGY-ZDUSSCGKSA-N 254.374 1.236 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](O)C[C@](C)(C(=O)O)C1 725326034 PROTYRUPPQJDBA-UFBFGSQYSA-N 259.302 1.079 0 50 CDAA Cc1ncn(C)c1C(=O)N1CCC(Cn2ccnc2)CC1 584894151 JCXCAGJYZRZKRH-UHFFFAOYSA-N 287.367 1.477 0 50 CDAA O=C(c1cccc(O)n1)N1CC[C@@](O)(c2ccccc2)C1 584886774 YXFQNNSIBSGGGA-INIZCTEOSA-N 284.315 1.521 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1cnc(C2CC2)nc1O 584900997 PLWKOQLBAJWIPB-UHFFFAOYSA-N 287.323 1.363 0 50 CDAA CCn1ncc(Cn2cnc3ccc(OC)cc3c2=O)c1C 584903839 NBFFYWHCCYGOJD-UHFFFAOYSA-N 298.346 1.978 0 50 CDAA COCCc1nc([C@H](O)c2ccccc2Cl)n[nH]1 584885971 INPZCLQXWJASCD-LLVKDONJSA-N 267.716 1.729 0 50 CDAA COc1nc(N2CCc3n[nH]c(C)c3C2)ncc1F 670453390 HEECDACSAKHTIR-UHFFFAOYSA-N 263.276 1.219 0 50 CDAA FC1(F)CC[C@@H](NCc2cn(C[C@@H]3CCOC3)nn2)C1 631090801 UKUTZBZSSPHFPZ-WDEREUQCSA-N 286.326 1.592 0 50 CDAA Ic1cnn(Cc2ccccn2)c1 65337175 MMOKTRJYBYNYDX-UHFFFAOYSA-N 285.088 1.931 0 50 CDAA in-vitro Cc1nnc(NC[C@@](C)(O)c2cccc(F)c2)nc1C 1548453312 DRYRRCDXJWATLI-CQSZACIVSA-N 276.315 1.947 0 50 CDAA CC(C)(C)C(=O)NC[C@H]1CCCN(c2cc(N)ncn2)C1 1548510280 VPKAOGPRYQGBAL-LLVKDONJSA-N 291.399 1.438 0 50 CDAA O=C(CCCC1CC1)N1CCO[C@H](CN2CCOCC2)C1 870060301 ZELPRDUWOGXMDK-OAHLLOKOSA-N 296.411 1.126 0 50 CDAA c1ncc(Cc2noc([C@H]3CCCc4nn[nH]c43)n2)s1 952895239 SJYZKMIPQPOGDB-QMMMGPOBSA-N 288.336 1.703 0 50 CDAA C[C@@H](CN1CCN(C(=O)CN(C)C)CC1)C(C)(C)C 877957567 AZSQSYKXPLTZEZ-ZDUSSCGKSA-N 269.433 1.374 0 50 CDAA C[C@H](ONC(=O)[C@@H]1CCCc2ccnn21)c1ccncc1 1875298133 PCHNBLQWKNFEOY-FZMZJTMJSA-N 286.335 1.965 0 50 CDAA O=C(COCc1nc[nH]n1)NCCc1cccc2cc[nH]c12 1875318680 LNXKMZFIXKWHAW-UHFFFAOYSA-N 299.334 1.162 0 50 CDAA C[C@@H]1CN(C(=O)c2ccoc2)CCN1C(=O)NCC1CC1 1875357331 BUBHNGMKFZNDDU-LLVKDONJSA-N 291.351 1.546 0 50 CDAA CCc1ncc(CNCCN=c2cc[nH]cc2C)cn1 952968259 BRRDPVJAZZKSEB-UHFFFAOYSA-N 271.368 1.366 0 50 CDAA CC[C@H]1C=CCN1C(=O)c1cc(=O)nc2sccn12 952968327 BQPWCUJITAHGAI-VIFPVBQESA-N 275.333 1.547 0 50 CDAA O=C(c1ccccc1-n1cccn1)N1C[C@@H](O)[C@H](F)C1 952986136 WYPWQQVICWDLCI-DGCLKSJQSA-N 275.283 1.027 0 50 CDAA CCCO[C@H]1CCCN(c2cnc(CO)cn2)CC1 892421730 OJTCRSKSADWIPF-ZDUSSCGKSA-N 265.357 1.754 0 50 CDAA COc1cc(CN(C)CCN(C)C)cc(OC)c1O 19606638 NBKYFGFZLIYAKT-UHFFFAOYSA-N 268.357 1.403 0 50 CDAA Cc1c(NC(=O)CC2(O)CCC2)cnn1C1CCOCC1 1362482551 DHAOGMQMDFOZGY-UHFFFAOYSA-N 293.367 1.787 0 50 CDAA CSCCC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 275550698 DJARNEUGIFOEJP-LBPRGKRZSA-N 294.424 1.262 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1nccc(C)n1 275634591 SNUMVAOGRROSLC-RYUDHWBXSA-N 273.340 1.944 0 50 CDAA O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@]2(O)CCCC[C@@H]2C1 635702677 CYQPYZZCARAODM-BRXULGCHSA-N 289.379 1.667 0 50 CDAA CC(C)(C)NC(=O)C(=O)Nc1cccc(C(F)(F)F)n1 170609787 ZDARSZFHUDKAQQ-UHFFFAOYSA-N 289.257 1.954 0 50 CDAA C[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CCCNC2=O)C1 408055151 WIACNVDNLLUJMN-UTUOFQBUSA-N 252.358 1.598 0 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288.391 1.961 0 50 CDAA O=C1NCCC[C@]12CN(CCC1CCCCC1)CC[C@H]2O 1857689867 MWSGHVDXYPLFAX-NVXWUHKLSA-N 294.439 1.920 0 50 CDAA Cc1c(CNC(=O)c2nc3ccccn3c2C)cnn1C 1857697901 ASRCFSTUODBMDK-UHFFFAOYSA-N 283.335 1.615 0 50 CDAA CSCCCN1C[C@H](c2ccncc2)[C@@H](C(=O)O)C1 247487101 AHUANFISBDOUBI-OLZOCXBDSA-N 280.393 1.935 0 50 CDAA N[C@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 158259063 QUIVAPXQLWQOPU-NSHDSACASA-N 262.328 1.807 0 50 CDAA O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 907710529 KTUNJQBCKZPLAM-DPOGZJHUSA-N 291.347 1.025 0 50 CDAA OC[C@H](O)C1CCN(Cc2ccc3c(c2)CCO3)CC1 1772704463 GMODFYSWMNGORP-HNNXBMFYSA-N 277.364 1.187 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1cccc2nccn12 818629599 HWQNPXZIYQQSMF-HNNXBMFYSA-N 289.335 1.400 0 50 CDAA Cc1noc(COC2CN(C(=O)/C=C3\CC[C@H](C)C3)C2)n1 818660494 WHMRDNJFIQXCTH-PQTFEYQYSA-N 291.351 1.852 0 50 CDAA c1coc(-c2nnc(CN3CCn4ccnc43)o2)c1 931529046 LRERCWCDAVAXGI-UHFFFAOYSA-N 257.253 1.546 0 50 CDAA CC(C)n1ncnc1CNC(=O)c1nccc2cccnc12 935747600 JJILCMJUAQCEHP-UHFFFAOYSA-N 296.334 1.732 0 50 CDAA Cn1cncc1CNC1CCN(c2ccccn2)CC1 112341084 LKFANSFINXBDCK-UHFFFAOYSA-N 271.368 1.574 0 50 CDAA Cn1ccc(CCN[C@@H]2C[C@@H](N)c3ccccc32)n1 227220859 WQOWSBRSMYISFG-HUUCEWRRSA-N 256.353 1.697 0 50 CDAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H](N)C1 251942144 ZRAXDDXGRDMKBG-XJFOESAGSA-N 265.401 1.199 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc3[nH]ncc3c2)C1 237506972 CELMSMDMGGSZNX-CMPLNLGQSA-N 272.352 1.762 0 50 CDAA O=C(O)CN(C(=O)[C@H]1C[C@H]1C1CC1)C1CCOCC1 238105319 LRYQGSBFSFQYOC-RYUDHWBXSA-N 267.325 1.125 0 50 CDAA C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)[C@H](C)C(=O)O 252839643 BCZSRYHRZDFZBM-NHCYSSNCSA-N 277.320 1.463 0 50 CDAA C[C@@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@@H](C)N1 153152443 ZKWSOGCVBYAGJE-VXGBXAGGSA-N 264.344 1.967 0 50 CDAA CCOCc1ccccc1CNC(=O)C1(C(=O)O)CC1 154788959 XGKLSGZZIOLZBB-UHFFFAOYSA-N 277.320 1.704 0 50 CDAA O=C(c1cncc(O)c1)N1CCCC2(CCOCC2)C1 266560766 MSIOQRQFLNNZRP-UHFFFAOYSA-N 276.336 1.820 0 50 CDAA Cc1cc(CN2CCc3nn(C)c(=O)cc3C2)cs1 294984570 XRGXQFOOIFEQGQ-UHFFFAOYSA-N 275.377 1.709 0 50 CDAA CN(CCCNC(=O)[C@H]1CC[C@@H](N)C1)c1ccccc1 72439005 IIKUFHVUJGGZNK-UONOGXRCSA-N 275.396 1.757 0 50 CDAA O=C(O)[C@H](CNC(=O)[C@@H]1CC=CCC1)CC1CC1 405417195 ORXYGJAIWVENHU-NEPJUHHUSA-N 251.326 1.960 0 50 CDAA Cc1cc(N2CCC[C@](O)(CO)C2)c2ccccc2n1 313665710 HWRNNJHJWYLPIJ-MRXNPFEDSA-N 272.348 1.867 0 50 CDAA Fc1ccc(Cl)c(CN2CCN3CCOC[C@H]3C2)c1 328587605 CVQMCXVMYYWTJJ-CYBMUJFWSA-N 284.762 1.996 0 50 CDAA CC(C)c1nc(=NCc2ncccc2O)s[nH]1 530432132 BEIZVCHSOAXYRE-UHFFFAOYSA-N 250.327 1.796 0 50 CDAA O=C(CCCc1cccs1)N[C@H]1CCOC[C@@H]1O 629219231 BSJDWWRBWDHZKX-RYUDHWBXSA-N 269.366 1.337 0 50 CDAA C[C@@](O)(CNS(=O)(=O)CC1CCCC1)C1CC1 333390388 ZCHPFZDCLGADKU-GFCCVEGCSA-N 261.387 1.257 0 50 CDAA O=C([C@@H]1CNCCOC1)N1CCC(C(F)(F)F)CC1 643629109 NCPXDTNLSRIROF-SECBINFHSA-N 280.290 1.023 0 50 CDAA C[C@H](NC(=O)CN1CCn2cncc2C1)c1cccs1 647939765 ZYCJGOXQDARKLE-NSHDSACASA-N 290.392 1.638 0 50 CDAA CN(C)N1C(=O)O[C@@](C)(Cc2ccccc2)[C@]1(C)O 1422376 HUZFNQLSBBOHRW-KBPBESRZSA-N 264.325 1.625 0 50 CDAA O=C(O)c1coc2c1CN(C(=O)[C@@H]1CC[C@H]3CC[C@H]1O3)C2 2325778181 GZHPWHLMKSGPBX-YGOYTEALSA-N 291.303 1.778 0 50 CDAA O=C1COc2ccccc2N1OCC1=NO[C@@H]2CCC[C@H]12 2325793240 MKCWHGFUFBAHIH-ZWNOBZJWSA-N 288.303 1.899 0 50 CDAA CC[C@H]1CCN(C(=O)c2cccc3c2C(=O)NC3)C1 2325887740 QXKOBMAZWCWSEK-JTQLQIEISA-N 258.321 1.802 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(CC2=CCCOC2)C1 344021936 YCIZODIVDYBZSG-GJZGRUSLSA-N 294.395 1.045 0 50 CDAA COC(=O)CCC(=O)Nc1ccccc1C(=O)OC 347587 ZRRRRFDUYYTLBA-UHFFFAOYSA-N 265.265 1.365 0 50 CDAA biogenic,in-vitro CCN1CCO[C@H](CC(=O)Nc2ccccc2)C1=O 1010147 XMOARPMFBSVYTC-GFCCVEGCSA-N 262.309 1.263 0 50 CDAA CCOC(=O)CCN1CCC[C@@H]1CC(=O)OCC 1722004 RSMIWMXMSGRQMM-LLVKDONJSA-N 257.330 1.357 0 50 CDAA CC(C)Oc1nccn2c(-c3ccc(=N)[nH]c3)cnc12 2356155767 MGPGXKJTITWMTO-UHFFFAOYSA-N 269.308 1.991 0 50 CDAA COCCCNCCOCCOc1ccc(F)cc1 2975067 FIEDZVXCOPHWRO-UHFFFAOYSA-N 271.332 1.847 0 50 CDAA COC(=O)c1cc(OC(=O)c2ccccc2)n(C)n1 4856103 KYEPUWXBIGNAJS-UHFFFAOYSA-N 260.249 1.426 0 50 CDAA CCN1CCN(C(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)CC1 6731012 SPNVUIHLKRQAEW-KBPBESRZSA-N 294.395 1.598 0 50 CDAA CCN(c1ccccc1C(=O)OC)S(C)(=O)=O 8729456 CLROIUFAUJYHFY-UHFFFAOYSA-N 257.311 1.259 0 50 CDAA CC[C@@H](N=c1nc(O)c2cnn(C)c2[nH]1)[C@H]1CC1(C)C 418988722 IWVMPBMFFBIGOL-NXEZZACHSA-N 275.356 1.727 0 50 CDAA CO[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O 172735645 UEFXBFVXSIJSIB-OCCSQVGLSA-N 290.363 1.642 0 50 CDAA Cc1c[nH]c(C(=O)N(C)C[C@H]2Cc3ccccc3O2)n1 20868433 KIZWPUVXZRQJSU-GFCCVEGCSA-N 271.320 1.794 0 50 CDAA CCn1nc(C(=O)O)c2c1CC[C@@H](NC1CCOCC1)C2 67884121 ALNHUGUZXYVMLZ-LLVKDONJSA-N 293.367 1.227 0 50 CDAA Cc1nnsc1C(=O)NCC1(C(=O)O)CCCCC1 137981728 LZEGFBAFAPYUGG-UHFFFAOYSA-N 283.353 1.611 0 50 CDAA Cc1cc(CN(CCO)Cc2nccn2C)oc1C 65375596 LGZIRYJBHISPRA-UHFFFAOYSA-N 263.341 1.624 0 50 CDAA CN1CCN(C(=O)C2(c3ccccc3F)CC2)CC1=O 20637858 HSVJQNBJPSWEAF-UHFFFAOYSA-N 276.311 1.158 0 50 CDAA CO[C@H]1C[C@@H](C(=O)Nc2cnc3ccccc3c2)N(C)C1 332120646 DOZQUZADOMQNQM-ZFWWWQNUSA-N 285.347 1.892 0 50 CDAA O=C(N[C@@H]1CCCNC1=O)c1ccc(Cl)s1 64092325 IMPFHVGSFMNUSS-ZCFIWIBFSA-N 258.730 1.410 0 50 CDAA COc1ccc(C)cc1/C=C/C(=O)N1CC[C@H](CN)C1 328596348 IIGQIOXOXQSWLK-DIECRNLCSA-N 274.364 1.824 0 50 CDAA CCOC[C@H](C)N[C@@H]1CCO[C@@H](c2cncn2C)C1 328620841 ADNDTYIVBWNGTJ-OUCADQQQSA-N 267.373 1.655 0 50 CDAA CO[C@@H]1CCN(C(=O)c2csc([C@H]3CCCO3)n2)C1 328767662 HSFRFRNKVPHIJT-MWLCHTKSSA-N 282.365 1.856 0 50 CDAA Nc1c(-c2nc(O)n[nH]2)cnn1-c1ccc(Cl)cc1 407947214 AFTJPCVILUHCEU-UHFFFAOYSA-N 276.687 1.599 0 50 CDAA CC(C)(C)NC[C@@H](O)COc1cccc2c1CCC(=O)N2 128 LWAFSWPYPHEXKX-LLVKDONJSA-N 292.379 1.699 0 50 CDAA biogenic,fda CC(C)[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)O 166189 WOXSVTDTUYOOQZ-JTQLQIEISA-N 291.756 1.728 0 50 CDAA O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cccnc1 123611920 PGNJHYDKWNSWSQ-NSHDSACASA-N 272.308 1.567 0 50 CDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)c1ccc[nH]1 361013366 MTOQCAVZVADDBG-UHFFFAOYSA-N 259.191 1.082 0 50 CDAA CC(C)CNCc1nc(-c2cccc(C(N)=O)c2)no1 34924911 BEGGUENPBBWWAK-UHFFFAOYSA-N 274.324 1.581 0 50 CDAA C[C@@H]1CN(C(=O)c2coc(-c3ccccc3)n2)C[C@H]1C(N)=O 284489488 CMRPIDZKSQIFGT-ZYHUDNBSSA-N 299.330 1.535 0 50 CDAA CN(C)[C@@H]1CCCN(C(=O)c2[nH]nc(N)c2Cl)CC1 215621713 DULHNKJHXAFOOZ-MRVPVSSYSA-N 285.779 1.202 0 50 CDAA COCCN(C)c1ccc(NC(=O)c2cccnc2)nc1 154106242 TVTMVPDBBYYSKP-UHFFFAOYSA-N 286.335 1.812 0 50 CDAA C[C@H](O)CCn1cnc2cc(Cl)ccc2c1=O 32581062 YRZQNQWDXIJNAU-QMMMGPOBSA-N 252.701 1.821 0 50 CDAA C=Cn1cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cn1 364589698 NRPCEIRBVGTFHK-YNEHKIRRSA-N 260.341 1.069 0 50 CDAA COCc1cccc(CC(=O)N2CCCNC(=O)[C@@H]2C)c1 364959937 RPXDAJAPECATMF-LBPRGKRZSA-N 290.363 1.113 0 50 CDAA C[C@H]1CCCN(C(=O)/C=C/c2ccccn2)[C@@H]1CN 156685496 PXLBDFBYEAZJHP-IRORGTOCSA-N 259.353 1.681 0 50 CDAA C[C@@]1(C(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)C[C@@H]1F 333347513 ZOYMDVHWXASLEH-GXFFZTMASA-N 277.255 1.978 0 50 CDAA CCc1noc(CC)c1CC(=O)N1CCC[C@@H](C(=O)O)C1 128541090 DYDKCEPUVLEMMA-SNVBAGLBSA-N 294.351 1.665 0 50 CDAA O=C(C(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 215329356 CSLDARHFLTXCQD-OAHLLOKOSA-N 286.375 1.956 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)/C=C/C1CCOCC1 237524198 AWYLSRWNIGNMSS-UGAQRHAQSA-N 266.385 1.698 0 50 CDAA COCC(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 372839951 PCNLINGEEWDGMP-CQSZACIVSA-N 283.755 1.492 0 50 CDAA Cc1c(C(=O)N2CCC[C@H]2C(=O)O)cnn1-c1ccccc1 237755746 MISFASPKTNJONE-AWEZNQCLSA-N 299.330 1.870 0 50 CDAA Cc1ccc2cccc(C(=O)N3CC[C@H](N)C3)c2n1 237895432 UHVPWDZGTMKTCH-LBPRGKRZSA-N 255.321 1.716 0 50 CDAA CCN1CCC[C@H](N2CCN(C(C)C)[C@@H](C)C2)C1 32540700 BCSJDSWAOGLBCU-GJZGRUSLSA-N 253.434 1.885 0 50 CDAA CCCc1ncc(C(=O)N2CCOC[C@@H]2C(=O)O)s1 262549929 WSHJZZUGLLZNGX-MRVPVSSYSA-N 284.337 1.021 0 50 CDAA COc1nnc(CN2C[C@H]3CC=CC[C@H]3C2)s1 72147924 ANTNJHYMWOBDPC-AOOOYVTPSA-N 251.355 1.945 0 50 CDAA CCc1noc(CN(C)C(=O)c2cncc(F)c2)n1 127885207 VSQWWOWXFQSPOE-UHFFFAOYSA-N 264.260 1.438 0 50 CDAA Cc1nc2ncccn2c1C(=O)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71752398 BIANQBLKKUJLLK-FNFFVJSTSA-N 298.346 1.287 0 50 CDAA CCN1C[C@H](NC(=O)[C@@H](OC)c2ccccc2)CC1=O 32537350 RUXVTMQJPAPHLA-OCCSQVGLSA-N 276.336 1.111 0 50 CDAA CO[C@H]1CN(c2noc(-c3ccccc3)n2)CC[C@H]1N 71761536 MRMVXEOFFHHGHI-NEPJUHHUSA-N 274.324 1.289 0 50 CDAA Cc1nnc(NC(=O)CCc2cnn(C)c2)n1C1CC1 285486793 SYNFIMWXPUEPEU-UHFFFAOYSA-N 274.328 1.226 0 50 CDAA CSCC(=O)N[C@H](Cc1ccncc1)C1CC(O)C1 219867329 OLOJJHRPCOLZRX-WXRRBKDZSA-N 280.393 1.243 0 50 CDAA CN(Cc1nnc[nH]1)S(=O)(=O)c1cc2ccccc2o1 241409000 NDSSRJQBHHRRCM-UHFFFAOYSA-N 292.320 1.372 0 50 CDAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)CCc1ccccc1 131792950 IIJJSHKAPPXEAO-TZMCWYRMSA-N 282.409 1.371 0 50 CDAA CCOc1nnc(CN2CC[C@@]3(CCCN(C)C3)C2)s1 339427428 UPABHJBEUSDUIF-CQSZACIVSA-N 296.440 1.855 0 50 CDAA Cc1cccc(C(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)n1 220565059 USZRWRZDCVXAHG-GJZGRUSLSA-N 289.379 1.061 0 50 CDAA O=S(=O)(CCC1OCCO1)c1nc2ccccc2[nH]1 43214699 IUSAJJYLJRDHEU-UHFFFAOYSA-N 282.321 1.100 0 50 CDAA CC(C)n1nccc1C(=O)NCCc1cccc(O)n1 426442055 WAOWDYBJYKFAHS-UHFFFAOYSA-N 274.324 1.537 0 50 CDAA COc1ccc(-c2nnn[nH]2)cc1Br 44136967 VKMQSSCIJPVXSH-UHFFFAOYSA-N 255.075 1.638 0 50 CDAA CCc1ccc(C(=O)N[C@@H]2CCCNC2=O)s1 49499245 FDZZDWOWTHREPS-SECBINFHSA-N 252.339 1.319 0 50 CDAA NC[C@H]1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 178589238 ANMRQONBMGSGLJ-GFCCVEGCSA-N 282.347 1.564 0 50 CDAA COCCN(CC(=O)O)C(=O)c1ccn(C(C)(C)C)c1 426545518 ZENAJEVUFAYWIP-UHFFFAOYSA-N 282.340 1.416 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)CCC(=O)O 426727318 COHROMAZLGLTBN-UHFFFAOYSA-N 273.292 1.453 0 50 CDAA CN(CC1(C)COC1)C(=O)c1cnc(-c2ccccn2)nc1 426527666 FARPKNNANFHWNW-UHFFFAOYSA-N 298.346 1.647 0 50 CDAA C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)C(=O)O 237374340 USLADTBNOYIVCE-LDYMZIIASA-N 265.334 1.606 0 50 CDAA CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccnn21 97759012 MUXUTZOSSCJPCS-NSHDSACASA-N 295.339 1.738 0 50 CDAA Cc1cnc(N)nc1N1CCC2(CCC(=O)N(C)C2)CC1 91596016 JHHUEBILIJBPIW-UHFFFAOYSA-N 289.383 1.206 0 50 CDAA O=C(N[C@@H]1CCCNC1)c1cnc(-c2ccncc2)nc1 97475466 SDVCPGNCTHTYAD-CYBMUJFWSA-N 283.335 1.020 0 50 CDAA C[C@@H]1CN(C(=O)c2csc(-c3ncccn3)n2)CCN1 237387498 LVNZNCGHSBYFJG-SECBINFHSA-N 289.364 1.034 0 50 CDAA Cc1oc(CN(C)C(=O)[C@H]2CCCO2)cc1C(=O)O 268936744 PEQOXSVPBFXDRO-LLVKDONJSA-N 267.281 1.424 0 50 CDAA COC1(C)CCN(C(=O)c2cncnc2C2CC2)CC1 622483673 IGXBEUFWFSUGPT-UHFFFAOYSA-N 275.352 1.995 0 50 CDAA Cc1ncc(CN2CC(C)(O)C2)n1-c1ccccc1 623015124 GNCFHANCTHQSCZ-UHFFFAOYSA-N 257.337 1.747 0 50 CDAA CCOc1cc(CN2CCO[C@H]3CNC[C@H]32)ccc1OC 299745390 YORFGUJIWPZLGF-CJNGLKHVSA-N 292.379 1.267 0 50 CDAA CC(C)CN(Cc1cnc(N(C)CC(=O)O)nc1)C1CC1 534650527 RENSVEYTESAYCL-UHFFFAOYSA-N 292.383 1.618 0 50 CDAA O=C(CO)N(Cc1cccc(Br)c1)C1CC1 270745268 AUUWXCLUCOKTPO-UHFFFAOYSA-N 284.153 1.932 0 50 CDAA O=C(NC[C@@H]1OCCc2ccccc21)Nc1cnns1 299789903 AODISHZLVUQRTJ-NSHDSACASA-N 290.348 1.974 0 50 CDAA C[C@@H]1C(=O)C[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]1c1ccccc1 828244729 ICLCRPOZQSDAEB-RFUOJGKKSA-N 257.289 1.268 0 50 CDAA O=C(C[C@@H]1C=CCC1)NCCSc1nc[nH]n1 820385469 GYWVMIPWGKGEFT-SECBINFHSA-N 252.343 1.369 0 50 CDAA CCN=c1cc(CNc2ncnc3c2ncn3CC)cc[nH]1 585134867 MWBZQIKRJVUEKU-UHFFFAOYSA-N 297.366 1.707 0 50 CDAA Cc1ccc(C(=O)O)cc1-c1cnc(C(=O)O)nc1 675069504 HSJIOEVAGAJONK-UHFFFAOYSA-N 258.233 1.848 0 50 CDAA CO[C@H]1CC[C@@H](C)N(c2nc(O)c3cnn(C)c3n2)C1 866070908 LWXDLFRLRIDZKB-BDAKNGLRSA-N 277.328 1.073 0 50 CDAA O=C(NC1CCS(=O)(=O)CC1)[C@@H]1CCc2ccccc21 591432804 WXTARBHBFLDJGB-CQSZACIVSA-N 293.388 1.410 0 50 CDAA C=CC(=O)N(CC)CC(=O)NCC1CCSCC1 900705692 IZNUBCDVVXCIAQ-UHFFFAOYSA-N 270.398 1.280 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@](C)(O)[C@@H](C)c1ccccc1 1875311636 IAHJXVFPSQNZQS-WNAUCDLKSA-N 291.347 1.387 0 50 CDAA O=C(O)[C@@H](NCc1ccnn1CC(F)F)[C@H]1C[C@@H]2C[C@@H]2C1 1875303866 QMZMDRQBJOPIBG-WJZNIJOASA-N 299.321 1.737 0 50 CDAA Cc1cccc(C[C@@H](C)N[C@H]2COC[C@H]2n2ccnn2)c1 877512246 QLELMZRSEJNCPC-VNQPRFMTSA-N 286.379 1.747 0 50 CDAA NC(=O)c1ccc(=O)n(Cc2ccccc2C2CC2)n1 888094094 HWPGHALNCONORE-UHFFFAOYSA-N 269.304 1.268 0 50 CDAA CCc1nc2c(C(=O)NC3CC4(C3)C[C@H]4N)ccnc2[nH]1 1775960888 UGJKSBKHLXCFKA-IXZKOCCXSA-N 285.351 1.130 0 50 CDAA CC(C)[C@H](CNCc1nc(CO)n[nH]1)c1ccccc1 1413172795 CHELYHBGHPQPSZ-ZDUSSCGKSA-N 274.368 1.826 0 50 CDAA COc1ccc(-c2n[nH]c(CCC(=O)O)n2)cc1C 82570117 ITKREMTXWQMICB-UHFFFAOYSA-N 261.281 1.806 0 50 CDAA O=C(O)[C@@H](CC(F)F)NS(=O)(=O)c1cccs1 275370971 YRHOHAUGEJSXCA-RXMQYKEDSA-N 285.293 1.135 0 50 CDAA C[C@@H](NCC1OCCO1)c1cccc(-n2ccnc2)c1 170088199 HFULJLBSPYFHQP-GFCCVEGCSA-N 273.336 1.896 0 50 CDAA CCO[C@H]1C[C@](CO)(NC(=O)c2ccccc2)C1(C)C 170603400 IFTOMFJGMIZEPK-XJKSGUPXSA-N 277.364 1.983 0 50 CDAA CCCC[C@H](CN)NS(=O)(=O)c1cccc(C)c1F 193305382 PJAQTGHIZWCZJP-LLVKDONJSA-N 288.388 1.930 0 50 CDAA CC(=O)N[C@H]1CCCN(C(=O)C2CCC(C(=O)O)CC2)C1 194392307 PFJRBWQVTKQPJY-BPCQOVAHSA-N 296.367 1.005 0 50 CDAA COc1cccc(N2CC[C@H](N[C@@H](C)[C@H](C)O)C2)c1 570156017 VAJPNAVNVOYBEF-AVGNSLFASA-N 264.369 1.633 0 50 CDAA COC(=O)N1CC(C)(NC(=O)Nc2ccc(OC)cc2)C1 757743504 LHXQWFOSWBQRNU-UHFFFAOYSA-N 293.323 1.657 0 50 CDAA C[C@@H](NC(=O)CC1(O)CCCCC1)c1nc[nH]n1 304844354 MGVAWFUDDSPSEI-SECBINFHSA-N 252.318 1.067 0 50 CDAA OCCN1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 1529099106 QLFFAGLRAXAIQY-CJNGLKHVSA-N 272.348 1.062 0 50 CDAA CC(C)CCNC(=O)NS(=O)(=O)c1ccc(N)cc1 1726059 MMXWDFYWHMTRCQ-UHFFFAOYSA-N 285.369 1.303 0 50 CDAA in-vitro CCc1cnc(N2CCOC3(CCN(C)CC3)C2)nc1 1800410818 BHNFVQUKBRXYPO-UHFFFAOYSA-N 276.384 1.340 0 50 CDAA CC(C)n1cnnc1CNC(=O)c1cscn1 264723070 CKHXQPLWILKADA-UHFFFAOYSA-N 251.315 1.246 0 50 CDAA CC1(C)CN(c2nccc3nsnc23)C[C@H](CO)O1 1615587198 XUWYJVPIXBPZIX-MRVPVSSYSA-N 280.353 1.062 0 50 CDAA CCn1nncc1CNC(=O)[C@H]1CNCC12CCCCC2 1615547029 NGYZTKQOWKQLRP-CYBMUJFWSA-N 291.399 1.084 0 50 CDAA CCCCCCOC(=O)[C@@H]1C[N@]1[C@@H](CC)C(=O)OC 1857666509 YATMUZOFWQFISU-SLEUVZQESA-N 271.357 1.746 0 50 CDAA COC(=O)CCCC(=O)NCc1nc2ncccc2o1 1857685335 IJZAXSDYKONEOP-UHFFFAOYSA-N 277.280 1.182 0 50 CDAA N=c1[nH]nc(N2CCC[C@H](Cn3ccnc3)C2)s1 1857739689 OMASVUZPXUQJFU-SECBINFHSA-N 264.358 1.064 0 50 CDAA CC(C)c1nccc(C(=O)N2CCC[C@H](C3(O)CC3)C2)n1 1772805761 RXJCSTIFQIHOKC-LBPRGKRZSA-N 289.379 1.977 0 50 CDAA C[C@@]12C[C@H]1CN(C(=O)CN1CCOc3ccccc3C1)C2 1775979377 LQKUSTVFXKBYEN-YOEHRIQHSA-N 286.375 1.749 0 50 CDAA COc1cccc(CN2CCC[C@@](O)(CN(C)C)C2=O)c1 12714419 WVHGYTFFCKFQIN-MRXNPFEDSA-N 292.379 1.110 0 50 CDAA COc1ccc(NC(=O)[C@@H](C)Cn2cncn2)cc1 12383650 RRFWAYUGMVUEBN-JTQLQIEISA-N 260.297 1.562 0 50 CDAA CC(C)(C)CN1C[C@@H](NC(=O)C2CCOCC2)CC1=O 12595665 XDBOACGMSBZIKU-LBPRGKRZSA-N 282.384 1.176 0 50 CDAA Cc1cccc([C@H]2CCCN2C(=O)CCc2nn[nH]n2)c1 630795049 CEVZTVIKVVCBGC-CYBMUJFWSA-N 285.351 1.804 0 50 CDAA CCN1CCOC[C@H]1C(=O)NC[C@H]1C[C@H](C)O[C@H](C)C1 332764248 GRGALYMXGWRAQX-CRWXNKLISA-N 284.400 1.027 0 50 CDAA CCC[C@H](C)NC(=O)[C@H]1CCCN([C@@H](C)C(=O)O)C1 237016385 RPACOMMOAJFTIR-SRVKXCTJSA-N 270.373 1.476 0 50 CDAA NC[C@@H]1CCCN1C(=O)c1ccc(-c2ncon2)cc1 237970978 BELRHDVLSXDSCS-LBPRGKRZSA-N 272.308 1.300 0 50 CDAA CCc1ccccc1OCCN1CC[C@](C)(O)[C@H](O)C1 251975054 DASJDINGTMIEDL-CVEARBPZSA-N 279.380 1.445 0 50 CDAA C[C@H]1CN(C(=O)c2cccc3c2OCO3)C[C@H](C)N1 153940438 MFAHPHHALHQRKJ-UWVGGRQHSA-N 262.309 1.238 0 50 CDAA O=C(c1ccc(CO)c(F)c1)N1CC[C@@H](N2CCCC2)C1 366742432 IRXWLIBKSXTJGB-CQSZACIVSA-N 292.354 1.628 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccn[nH]1 267346790 CIPVIGKXFZHSBF-ZWNOBZJWSA-N 251.330 1.130 0 50 CDAA C[C@@]1(O)CCOC2(CCN(C3CCOCC3)CC2)C1 1704307351 XPGXQHLXIFJIQY-CQSZACIVSA-N 269.385 1.561 0 50 CDAA COC[C@H](C)OC[C@H](O)CNC(C)(C)c1nccs1 219204305 OLBGJNWUBHBTGB-WDEREUQCSA-N 288.413 1.380 0 50 CDAA CSCC[C@H](O)C(=O)NCCc1nc(C)cs1 222400663 TULJMERLKDJZGE-VIFPVBQESA-N 274.411 1.224 0 50 CDAA Cc1cc(C)cc(OCC(=O)NC[C@H]2CCCO2)c1 282083 FTVLNWLXRYTRAE-CYBMUJFWSA-N 263.337 1.977 0 50 CDAA CO[C@@H](C)CC(=O)N1CCC[C@@H](CCC(=O)O)C1 237307316 ONRLJNRDDFGSBG-QWRGUYRKSA-N 257.330 1.515 0 50 CDAA C[C@H]1C[C@@H](N(C)C(=O)CC2(N)CCC2)CCN1C 237527611 UMRJJWCVDVAISO-RYUDHWBXSA-N 253.390 1.199 0 50 CDAA O=C(NCC(F)(F)F)N1CC[C@@H]2OCCC[C@@H]2C1 130340317 PBHZRLHYCULURW-BDAKNGLRSA-N 266.263 1.759 0 50 CDAA C[C@@H](N[C@@H]1CCCC[C@H]1O)C1CCS(=O)(=O)CC1 408307633 UAEFJLGOVJLYMU-RAIGVLPGSA-N 275.414 1.093 0 50 CDAA O=C(NCCCc1cccnc1)N1CCC[C@@H](O)C1 426397341 DTHRDHPTSIHMRK-CYBMUJFWSA-N 263.341 1.181 0 50 CDAA COc1ccnc(C(=O)N[C@@H](CC2CC2)C(=O)O)c1 683323060 HEDAKLOEBAQVQX-NSHDSACASA-N 264.281 1.073 0 50 CDAA N[C@@H]1C[C@H](C(=O)NC2CC3(C2)CC3(F)F)[C@H]2C[C@H]21 1340645135 FAJSJXFOYHODBG-IVEJAVIGSA-N 256.296 1.274 0 50 CDAA Cn1nccc1C(=O)Nc1ccc2c(c1)OCCO2 1430094 UGXATIULUWYQFA-UHFFFAOYSA-N 259.265 1.444 0 50 CDAA S=C(Cc1ccc2c(c1)OCO2)N1CCOCC1 1857795933 DJMRAFGZODPWPT-UHFFFAOYSA-N 265.334 1.617 0 50 CDAA COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCCCC2 643253451 XAQPZRBYECDUJW-UHFFFAOYSA-N 290.363 1.819 0 50 CDAA CN1CCCC[C@@H](NC(=O)NCCc2cccs2)C1=O 2325806871 MBZACZVHARZTTB-GFCCVEGCSA-N 295.408 1.601 0 50 CDAA C[C@H](NC(=O)c1cc2cccn2c(O)n1)c1cncn1C 2325878724 ZKYZYSBURWXLIF-VIFPVBQESA-N 285.307 1.264 0 50 CDAA C/C=C1/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C1=O 111428708 LIHMCRDYZWJENE-PTJFDQCRSA-N 283.331 1.571 0 50 CDAA CC(C)Cn1cc(Cl)c(=O)n(CC(C)C)c1=O 195071 LXPGEJHKHYXZLM-UHFFFAOYSA-N 258.749 1.975 0 50 CDAA O=C1C[C@H]([C@@H]2CCCO2)C(=O)N1Cc1ccccc1 250952 NCQDYRZPXZGQQT-OLZOCXBDSA-N 259.305 1.741 0 50 CDAA O=C(CCCCC(=O)N1CCCC1)N1CCCC1 2173729 GPNRLGPZAGYGPG-UHFFFAOYSA-N 252.358 1.792 0 50 CDAA COc1ccccc1NC(=O)CCSc1nnnn1C 2438596 WVJKZJUTVOLOGS-UHFFFAOYSA-N 293.352 1.340 0 50 CDAA O=C(O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 3269690 UJACCRCVRARFCH-UHFFFAOYSA-N 275.351 1.160 0 50 CDAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 3886869 UYVXUYVAIIWBSW-LURJTMIESA-N 295.769 1.639 0 50 CDAA Cc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1 4487328 XWOCSCZCQQCEMU-UHFFFAOYSA-N 283.331 1.550 0 50 CDAA CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 6699971 ZALGYQXTGPXVIB-UHFFFAOYSA-N 290.319 1.612 0 50 CDAA CCOc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1 6706556 QRCUVNFIFIIECZ-UHFFFAOYSA-N 295.364 1.928 0 50 CDAA COc1ccccc1OCC(=O)N[C@H](C)[C@@H]1CCCO1 6741183 IZAIHEFCVRLZQK-NEPJUHHUSA-N 279.336 1.758 0 50 CDAA CCCc1noc(CN2CCN(c3cnccn3)CC2)n1 55152961 XINGTKHADWQEHA-UHFFFAOYSA-N 288.355 1.134 0 50 CDAA C[C@]1(C(=O)O)[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 100878115 YNJJBKGMDPSRKI-GFOFROLCSA-N 299.326 1.443 0 50 CDAA CNC(=O)[C@@H]1CCC[C@H]1NC(=O)Cn1ccc2ccccc21 345714088 OHCXUPZTOUCEJW-ZIAGYGMSSA-N 299.374 1.672 0 50 CDAA CCc1cc(NC[C@H]2COCCO2)nc(N2CCCC2)n1 65501403 ZJPLHRAZJFMAIT-ZDUSSCGKSA-N 292.383 1.467 0 50 CDAA Cc1nonc1C(=O)NCc1ccccc1-n1ccnc1C 67675812 LAJPKXVNFLIZDL-UHFFFAOYSA-N 297.318 1.802 0 50 CDAA COCC1(NC(=O)c2ccc(=O)[nH]c2)CCCC1 67676141 OCUAJPOHMBWKAZ-UHFFFAOYSA-N 250.298 1.064 0 50 CDAA CCOC(=O)c1c[nH]nc1I 64034036 GCZGLIKEVZAURZ-UHFFFAOYSA-N 266.038 1.191 0 50 CDAA in-vitro Cc1cnn([C@@H](C)CNC(=O)CN2CCCCCC2)c1 65527068 NOPXNWGCKMPUFG-AWEZNQCLSA-N 278.400 1.745 0 50 CDAA CN(C)CCNCc1cccc(Oc2ncccn2)c1 22937309 ZCGJRSFBALILDU-UHFFFAOYSA-N 272.352 1.920 0 50 CDAA NC(=O)c1ccnc(-c2ccccc2CN2CCOCC2)c1 65409961 GYHOFFSORGLOPF-UHFFFAOYSA-N 297.358 1.680 0 50 CDAA CN(Cc1n[nH]c2c1CCCCC2)[C@@H]1CCCNC1 67741070 GXPDMXUQHHSRIQ-GFCCVEGCSA-N 262.401 1.862 0 50 CDAA CC(C)[C@@H](CNC(=O)c1cccn1C)c1ccnn1C 252490629 KYCHDZVYDOPGPM-GFCCVEGCSA-N 274.368 1.928 0 50 CDAA CC(C)CNS(=O)(=O)Cc1ccc(CN)cc1 21500150 GFKAQHCPNOGEBV-UHFFFAOYSA-N 256.371 1.221 0 50 CDAA CC1(C)CNC(=O)c2nc(-c3ccncn3)[nH]c2C1 65408712 JVNDBIPZYYZJFH-UHFFFAOYSA-N 257.297 1.179 0 50 CDAA CNCC(=O)Nc1ccccc1OC[C@H]1CCCO1 66225826 HADDCQRXLFTHMF-LLVKDONJSA-N 264.325 1.402 0 50 CDAA OCC(F)(F)CNC[C@@H]1CCOc2ccccc21 231777105 YUXWYWBGNNTWCU-JTQLQIEISA-N 257.280 1.770 0 50 CDAA CCn1c([C@H]2OCC[C@H]2C)nn(Cc2nccs2)c1=O 328627409 GBMTUIQLNJLURL-KOLCDFICSA-N 294.380 1.667 0 50 CDAA COCCCN1CCC[C@@H]1CN(C(C)=O)C1CC1 328638555 PDUDYAXVFGMHLB-CQSZACIVSA-N 254.374 1.498 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)c(C)c1 364422521 NXJLDSXLVWULMF-UHFFFAOYSA-N 292.364 1.141 0 50 CDAA Cc1cc(C)cc(N2CCN(Cc3cnn(C)c3)CC2=O)c1 72121815 YIAQSDSIVPSNNR-UHFFFAOYSA-N 298.390 1.886 0 50 CDAA NC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H]2C2CCC2)C1 333601150 QLNOFFJOCWRUFG-SAXRGWBVSA-N 265.401 1.849 0 50 CDAA Cc1noc([C@@H]2COCCN2C(=O)[C@H]2CC2(C)C)n1 120975723 HCRDMDADVVNLIM-ZJUUUORDSA-N 265.313 1.324 0 50 CDAA O=C(O)C[C@@H]1CCCN1C(=O)Cn1ncc2ccccc21 263029409 UWCUMUWKJFVIEQ-LBPRGKRZSA-N 287.319 1.502 0 50 CDAA Cc1cc(S(=O)(=O)N2CCCNCC2)c(F)cc1F 237783290 KUXOJJNCXHTUSE-UHFFFAOYSA-N 290.335 1.257 0 50 CDAA CC(C)[C@]1(CO)CCN(C(=O)CCOC2CCOCC2)C1 378063510 WDXXQQZPFAUOKP-MRXNPFEDSA-N 299.411 1.439 0 50 CDAA O=C(C1CCSCC1)N1CCC(c2nnc(O)o2)CC1 334530381 JVGUHBHHCNOFKR-UHFFFAOYSA-N 297.380 1.624 0 50 CDAA C[C@@H]1CSC[C@H]1N[C@H]1CCCN(c2ccn(C)n2)C1=O 285118288 NBAXENSERLTGBO-GRYCIOLGSA-N 294.424 1.257 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1cnn(Cc2ccccc2)c1 238087005 DEJJEQZPHOYYJD-CQSZACIVSA-N 299.330 1.621 0 50 CDAA CN(C)[C@@H]1CCCN(C(=O)c2cnn3cccnc23)CC1 72127200 WITMQBPRSQMKRI-GFCCVEGCSA-N 287.367 1.286 0 50 CDAA Cc1ccsc1C(=O)N1CCN2C(=O)CC[C@@H]2C1 336259407 LYRSRBRDGWVMDZ-SNVBAGLBSA-N 264.350 1.503 0 50 CDAA Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@@H]2CCC[C@]12C1CC1 216452280 VHBWORDPHOBUCY-JUFZMCDQSA-N 273.336 1.211 0 50 CDAA COCCn1ccnc1CN(C)[C@@H](C)c1ccon1 215992362 QRTALCIYLIXNSE-NSHDSACASA-N 264.329 1.711 0 50 CDAA Cc1cnc(CCNC(=O)[C@](C)(O)C2CCC2)s1 240569325 GZOOQEKSETVTDY-CYBMUJFWSA-N 268.382 1.661 0 50 CDAA O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1CCc1ccccc1 286075008 VRSKHYUYZZWDMZ-ZDUSSCGKSA-N 284.319 1.115 0 50 CDAA Cc1nc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cs1 1206797328 DPYGPOYNKIKNTP-KGYLQXTDSA-N 268.382 1.423 0 50 CDAA CCn1ccnc1CN(C)c1cc(C2CC(O)C2)ncn1 223125287 MTXBLGYUFXWBPM-UHFFFAOYSA-N 287.367 1.568 0 50 CDAA Cn1cccc1C(=O)N[C@H]1CCCN(c2cnccn2)C1 220349693 LCOLLHKYIDTXPM-LBPRGKRZSA-N 285.351 1.214 0 50 CDAA CCCN(Cc1nccn1C)C(=O)[C@@]1(C)CCCO1 426382680 KLHGRUNGISRORY-CQSZACIVSA-N 265.357 1.728 0 50 CDAA CNC[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2F)C1 422720981 NBIFOPHZIFTKAJ-LBPRGKRZSA-N 293.386 1.963 0 50 CDAA O=C(Cn1sc2ccccc2c1=O)NCc1ccncc1 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KDXDGSFZXPRGCL-UHFFFAOYSA-N 287.319 1.770 0 50 CDAA O=C(CO)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91973942 ZLLRLBBRABPAEJ-INIZCTEOSA-N 294.395 1.153 0 50 CDAA Cc1cc(CNC(=O)[C@H]2COc3ccccc3C2)n(C)n1 95523329 OVCJKNJWXUQKIW-CYBMUJFWSA-N 285.347 1.596 0 50 CDAA CCO[C@@H](C)C(=O)N1CCc2[nH]nc(C3CC3)c2C1 426531530 DMAAHINUHCTCBK-VIFPVBQESA-N 263.341 1.597 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)O)=NO[C@@H]2C1 91303607 ZQXOLUFBNCMDKL-JGVFFNPUSA-N 270.285 1.083 0 50 CDAA O=C(c1ccccc1-c1nnn[nH]1)N1CCC2(CCO2)CC1 97492396 LQZFHBVVTIZBJB-UHFFFAOYSA-N 299.334 1.262 0 50 CDAA O[C@@H]1COC2(CCN(Cc3cccc4nonc34)CC2)C1 97696169 KCNSBFIBRZPACH-LBPRGKRZSA-N 289.335 1.339 0 50 CDAA CC1(C)CN(C(=O)CN2CCCCC2=O)CC[C@]1(C)O 91536975 ZGNFNKGVLMQMHG-HNNXBMFYSA-N 282.384 1.008 0 50 CDAA Cc1cnc(N2CCC(N3CCC[C@@H](CO)C3)CC2)nc1 95360456 ZOGFDULKLQOTJR-CQSZACIVSA-N 290.411 1.458 0 50 CDAA Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)cc1C 239046611 FTYPOSAFKRXDOQ-AAVRWANBSA-N 287.315 1.896 0 50 CDAA 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251.286 1.257 0 50 CDAA CCn1cc(NC(=O)N[C@@H]2CCc3ccccc3C2)nn1 299793182 GYMARDJVWRDPAV-CYBMUJFWSA-N 285.351 1.977 0 50 CDAA O=C(NCC1(C(F)(F)F)CCNCC1)C1CC1 725264677 GTEQLILTNRXRQY-UHFFFAOYSA-N 250.264 1.445 0 50 CDAA CC(C)Cc1nc([C@@H]2CCC(=O)NC2)n(CC(C)(C)O)n1 821477612 RCGZJKMFXHQBOR-LLVKDONJSA-N 294.399 1.241 0 50 CDAA CC(C)Cc1nc(CCc2cccc(O)c2)n(CCO)n1 828776607 AABGODYOOMCCAV-UHFFFAOYSA-N 289.379 1.960 0 50 CDAA O=C(O)C1(C(=O)NCc2ccc(O)c(F)c2)CCCC1 585134352 OXPVLBWLVCUBDY-UHFFFAOYSA-N 281.283 1.793 0 50 CDAA CC(C)c1noc([C@@H](C)NS(=O)(=O)N2CCCC2)n1 670460367 QICHBQKPDFNIAS-SECBINFHSA-N 288.373 1.184 0 50 CDAA Cc1ncn(C)c1C(=O)N1CC[C@@H](N2CCCCC2)C1 670461975 VZWSTMGGNCNDBF-CYBMUJFWSA-N 276.384 1.429 0 50 CDAA Cn1ccnc1C(=O)NCc1noc(-c2ccccc2)n1 741264930 XPWCMJMSMRLZEF-UHFFFAOYSA-N 283.291 1.400 0 50 CDAA O=C(NO[C@@H]1CCOC1)[C@@H]1CCCN1c1ccccc1 1875263620 LHULJVRIXDJGON-KGLIPLIRSA-N 276.336 1.492 0 50 CDAA Cc1cnc(S(=O)(=O)Cc2ncoc2C(C)C)[nH]1 1875280275 MMPQVWCVVSUBRZ-UHFFFAOYSA-N 269.326 1.803 0 50 CDAA Cc1[nH]ccc1C(=O)NC1(C(=O)N(C)C)CC(F)(F)C1 1875297502 UAESRUSVWGLTMZ-UHFFFAOYSA-N 285.294 1.309 0 50 CDAA CC(C)n1cnc(S(=O)(=O)NC(=O)CCC2(C)CC2)c1 1875283982 KPPXEGJUNIKGRU-UHFFFAOYSA-N 299.396 1.849 0 50 CDAA CC(C)c1ccc(CC(=O)N[C@@]2(CO)CCCNC2)cc1 1875305136 IDBWRBUGWGFDIK-KRWDZBQOSA-N 290.407 1.583 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CCC[C@H](COC(F)F)C1 1875380610 UCJWXCRDZQYUAP-JTQLQIEISA-N 290.310 1.109 0 50 CDAA C=CC(=O)N[C@H](C(=O)OC)[C@H]1CCc2ccccc21 1875368017 JBDBLAUNISVGBQ-JSGCOSHPSA-N 259.305 1.560 0 50 CDAA CCc1nsc(N2CC[C@@H](c3ncccn3)C2)n1 952993384 MYHQELYZMSWUAA-SECBINFHSA-N 261.354 1.884 0 50 CDAA CCCN1CCC[C@@H](NC(=O)/C=C/c2cnc(N)nc2)C1 952965029 PQPWBWQFBVCREG-URWSZGRFSA-N 289.383 1.063 0 50 CDAA CCc1nccn1CCNC(=O)[C@H]1CCCCCN1C 952977584 IXGZGNVQJFBHCM-CYBMUJFWSA-N 278.400 1.436 0 50 CDAA CC(C)(O)c1cn(C[C@@H](O)c2cc(F)ccc2F)nn1 881409241 INDBPILPZJJDMD-LLVKDONJSA-N 283.278 1.517 0 50 CDAA OC[C@@H]1CCCCN1CCNCc1cccc2nonc12 952970991 CSWHROIOEMOOCS-ZDUSSCGKSA-N 290.367 1.159 0 50 CDAA Cc1cccc(OCCC(=O)N2CC[C@@H](N)C2)c1C 132669541 RLQMZNOOIDPNIX-CYBMUJFWSA-N 262.353 1.632 0 50 CDAA CCn1cnnc1NC(=O)[C@H]1CCCO[C@@H]1C(C)C 888078645 GHNVENZFVZWERZ-WDEREUQCSA-N 266.345 1.688 0 50 CDAA CCn1c(=O)c(N(C)Cc2ncccn2)nc2ccccc21 895063216 SDFCHLUHYLNDAP-UHFFFAOYSA-N 295.346 1.843 0 50 CDAA N[C@@]12CCC[C@@H]1CN(C(=O)c1ccc(C3CC3)nc1O)C2 1775961272 MBENYALEBSBJEU-BDJLRTHQSA-N 287.363 1.618 0 50 CDAA CSc1nc(N)cc(N(C)Cc2cc(C)on2)n1 1506410265 FGKAQKOCLYJEBM-UHFFFAOYSA-N 265.342 1.714 0 50 CDAA COc1cccc(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)c1F 1565527580 MZQWOWNSWXTAHM-PTOFAABTSA-N 265.284 1.742 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)o1 275280696 DVRXNTADJSZHMF-JQWIXIFHSA-N 275.308 1.582 0 50 CDAA CN(C[C@H]1CCCCO1)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275586830 SAJBHBOJKFTQMQ-VXGBXAGGSA-N 293.367 1.555 0 50 CDAA Cc1ccc(N(C)C(=O)Cc2ccc3c(c2)OCCO3)nn1 580583445 YGRUKLKZDICEQG-UHFFFAOYSA-N 299.330 1.762 0 50 CDAA CSC[C@@H](C)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 276731020 QWYJOMKGYGXWDU-VXGBXAGGSA-N 296.440 1.234 0 50 CDAA COC(=O)[C@H]1CCn2c(CC3CCCC3)nnc2C1 601044098 GQURXWMAZDRDIO-NSHDSACASA-N 263.341 1.746 0 50 CDAA CO[C@](C)(CO)CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585091122 ZGONPBDUFAHRKO-MNXVOIDGSA-N 255.358 1.326 0 50 CDAA CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC[S@@](C)=O)C1 585079726 GJCCCJQGRZZWAK-XEKQOVJPSA-N 288.457 1.382 0 50 CDAA CC(C)c1ccc(CCCNC(=O)[C@H]2CNCCO2)cc1 187746934 CMOIQGJGHMLGIA-MRXNPFEDSA-N 290.407 1.847 0 50 CDAA C[C@]1(C(=O)Nc2ccc3[nH]ccc(=O)c3c2)CCC(=O)NC1 585128731 MBDFHPZANNDFIO-INIZCTEOSA-N 299.330 1.383 0 50 CDAA C[C@@H]1CCc2ccccc2N1C(=O)COCc1nn[nH]n1 585122859 CFASZNUSHIQORV-SNVBAGLBSA-N 287.323 1.084 0 50 CDAA CC1(C)CN(CC(=O)N[C@H]2CCOC(C)(C)C2)C1 408517457 IIKVRBOJKKHPTQ-NSHDSACASA-N 254.374 1.402 0 50 CDAA CCS(=O)(=O)c1ccc(N[C@H](C(=O)NC)C(C)C)cc1 225521308 WBQLGQMGQWUKNH-ZDUSSCGKSA-N 298.408 1.663 0 50 CDAA C[C@@H]1CCNC[C@H]1N=c1ccc2nnc(C(C)(C)C)n2[nH]1 643027512 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225454596 MGRGXDURINRTFJ-CQSZACIVSA-N 263.337 1.795 0 50 CDAA COC(=O)CN1C(=O)S/C(=C/c2ccc(C)o2)C1=O 1142667 NLTHRLLMDNXBSK-WEVVVXLNSA-N 281.289 1.797 0 50 CDAA COC[C@H]1CN(C(=O)c2ncncc2Cl)CC(C)(C)O1 343738720 PPXOREQUWFPPMD-SECBINFHSA-N 299.758 1.396 0 50 CDAA CCc1ccc(CC(=O)N[C@@H]2C[C@H](N)C23CCC3)nc1 1615555202 OPKKUNJNRLTNAB-UONOGXRCSA-N 273.380 1.573 0 50 CDAA Cc1cc(CC(=O)N2CC[C@@H](O)CC23CCC3)on1 578368533 VLTYECJBLQIHTK-LLVKDONJSA-N 264.325 1.432 0 50 CDAA Cc1c(Cl)cccc1OCC(=O)N1CCC[C@@H]1CN 262605074 BHNXFGMAXGBRHT-LLVKDONJSA-N 282.771 1.977 0 50 CDAA O=C(C1CCC1)N1CCCN(CC[C@H]2COCCO2)CC1 1775980041 RMYUZTTZZULQMZ-HNNXBMFYSA-N 296.411 1.126 0 50 CDAA Cc1nsc(NC(=O)c2ccnn2C(C)C)n1 164256628 QLCWUGQRMQXBHC-UHFFFAOYSA-N 251.315 1.876 0 50 CDAA NS(=O)(=O)Cc1ccc(Br)cc1Cl 156953046 NGOFRDBLMBQXSP-UHFFFAOYSA-N 284.562 1.891 0 50 CDAA Cc1nc(N2CCOC[C@H](CN(C)C)C2)c2[nH]ccc2n1 1857683615 YATZVPPRBQMBIS-GFCCVEGCSA-N 289.383 1.281 0 50 CDAA CC(C)(C)[C@]1(O)C[C@](C(=O)O)(C(C)(C)C)OC1=O 447874 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C[C@H]1CN(C(=O)N(C)C2CCCC2)C[C@@]2(CCOC2)O1 253397945 HFCJQDCHJDMKDN-SWLSCSKDSA-N 282.384 1.861 0 50 CDAA C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)O)n1cccn1 261866128 GNLIBLXRBHMBKN-FZMZJTMJSA-N 299.330 1.655 0 50 CDAA CC(C)O[C@H](CN1CC[C@@H](C(N)=O)C1)c1ccccc1 585085635 AYRKUGJELCTNCV-HUUCEWRRSA-N 276.380 1.960 0 50 CDAA COc1ccc(F)cc1C(=O)N[C@H]1C[C@@H](C(=O)O)C1 263349460 VCLRMTKREOZUFJ-OTSSQURYSA-N 267.256 1.427 0 50 CDAA COc1ccc(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)nn1 267357559 DKTVWYLPRWFKSD-ZWNOBZJWSA-N 279.340 1.276 0 50 CDAA O=S(=O)(Cc1nc(C2CCCC2)no1)C1CC1 904353724 TYCVZUABPNJCMI-UHFFFAOYSA-N 256.327 1.804 0 50 CDAA O=C(N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12)c1ccc2[nH]ccc2n1 907947878 JYKDOCUSPPIVBT-PUXPGTEJSA-N 299.330 1.792 0 50 CDAA O=C(c1cnc2ccccn12)N1CCc2nc[nH]c2C1 929082726 UPJYUJJYKRXUCO-UHFFFAOYSA-N 267.292 1.256 0 50 CDAA Cc1nn(C)c(CN[C@@H](C)C(=O)N2CCCC2)c1Cl 228111183 ANVGALAMRDOEJV-JTQLQIEISA-N 284.791 1.482 0 50 CDAA NCCCOC1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 162255257 LXDLGKMGMPMLBH-UONOGXRCSA-N 266.385 1.389 0 50 CDAA Cc1csc(C(=O)NC[C@@H]2CNCCCO2)c1Cl 333257130 ZNJMUXZCSXTKAM-VIFPVBQESA-N 288.800 1.818 0 50 CDAA Cn1ccnc1CCN1CC[C@](O)(c2ccccc2)C1 670440805 KIQDCZIDMPWMBT-MRXNPFEDSA-N 271.364 1.556 0 50 CDAA Cc1c[nH]nc1CN1CCC(N2CCO[C@H](C)C2)CC1 375081251 NCIMFDRBYWOLDN-CYBMUJFWSA-N 278.400 1.403 0 50 CDAA CCOC(=O)[C@@H]1CCCn2c1nnc2C(F)(F)F 259865965 SKMIDBXMMYXEAW-ZCFIWIBFSA-N 263.219 1.737 0 50 CDAA CCOC(=O)CN1N[C@@](CC)(c2ccccc2)NC1=S 53455 GOIWZLDCCBHCSA-AWEZNQCLSA-N 293.392 1.507 0 50 CDAA Cc1cc(C(=O)NCC2(O)CC2)c2cc(F)ccc2n1 2325796414 OLEWVLPFPKQSMR-UHFFFAOYSA-N 274.295 1.937 0 50 CDAA O=C(N[C@@H]1CC[C@@H]2C[C@@]21CO)C1(c2cc[nH]n2)CCC1 2325806470 XMRGCJJCHJXXPP-UEKVPHQBSA-N 275.352 1.109 0 50 CDAA CCc1cc(C(=O)OCc2ccc(C(N)=O)cc2)on1 2325853671 YOYXAKCTHRZFAV-UHFFFAOYSA-N 274.276 1.693 0 50 CDAA C[C@H](O)CC(=O)O[C@@H](C)Cc1cc(O)cc(O)c1 2332918480 OXCUZVSTMRVDQX-IUCAKERBSA-N 254.282 1.343 0 50 CDAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC1 159584 ARFYTVRBVNXFRZ-UHFFFAOYSA-N 263.750 1.166 0 50 CDAA CCCOc1ccc(CCNc2ncnc(N)n2)cc1 2933063 ABZHMRMYZIAZOB-UHFFFAOYSA-N 273.340 1.897 0 50 CDAA Cc1ccccc1NC(=O)C(=O)NCc1ccco1 2959977 DUJIDZPZQIZANQ-UHFFFAOYSA-N 258.277 1.843 0 50 CDAA CC(=O)c1cnc2nc(-c3cccnc3)nn2c1C 4786674 GXICWILIGXKWEY-UHFFFAOYSA-N 253.265 1.697 0 50 CDAA CCc1ccccc1NC(=O)CSc1nnnn1C 4807869 OSNKQKHTQKPTPZ-UHFFFAOYSA-N 277.353 1.503 0 50 CDAA Cn1c(CCC2CCCCC2)nnc1SCC(N)=O 6698681 QXVOWZCSSWQQGB-UHFFFAOYSA-N 282.413 1.905 0 50 CDAA COc1ccc(CC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 6731946 DGZVKKXGNVMJEZ-RISCZKNCSA-N 263.337 1.921 0 50 CDAA O=C(NCCc1cc2ccccc2o1)N[C@H]1CCNC1 417735351 VZKOCVJZMPSSMZ-LBPRGKRZSA-N 273.336 1.636 0 50 CDAA COc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 101362828 GWWTUZSYINREJG-LPWJVIDDSA-N 271.272 1.138 0 50 CDAA COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)c1 101362824 GWWTUZSYINREJG-NDBYEHHHSA-N 271.272 1.138 0 50 CDAA Cc1nn(C)c2nccc(N(C)[C@H](C)C[S@@](C)=O)c12 420614341 WYMMJWAPULXVIZ-AYLIAGHASA-N 280.397 1.480 0 50 CDAA COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cccn1C 229593184 LPELFKADBFIFPL-DJIHRAIXSA-N 276.336 1.343 0 50 CDAA Cc1ccc(-c2cccc(-c3ccn(CC(N)=O)n3)c2)nn1 20110074 PIUJEOFOTBCZGU-UHFFFAOYSA-N 293.330 1.801 0 50 CDAA CCCCCCOC(=O)[C@@H]1CN1[C@H](CC)C(=O)OC 101840971 YATMUZOFWQFISU-ZVORSSOTSA-N 271.357 1.746 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3nccnc3c1)[C@H]1C=C[C@H]2C1 170622806 NUWLDRYUCZGXSH-CHPZLBCBSA-N 291.310 1.941 0 50 CDAA CCc1nccn1CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 67983440 UPQHRAGITXXHSG-GFCCVEGCSA-N 287.367 1.575 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC(=O)C(=O)c2ccco2)n1 20537489 QTWPFYJNDATXAG-JTQLQIEISA-N 275.308 1.481 0 50 CDAA NC(=O)CN1CCc2[nH]nc(-c3cccc(F)c3)c2C1 67974125 NOHJNRLZFKOVHB-UHFFFAOYSA-N 274.299 1.059 0 50 CDAA Cc1c(CN2CCO[C@@H](CN)C2)[nH]c2ccc(F)cc12 67559206 UQGAYEWVXOWPEK-LBPRGKRZSA-N 277.343 1.775 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1c(Cl)nc2ccccn12 237486232 IPHXLODVIZYYIS-ZJUUUORDSA-N 292.770 1.940 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1c1cnc2cc(F)c(F)cc2n1 284619141 RODAVYUQJZPXMH-KBUNVGBDSA-N 296.252 1.310 0 50 CDAA O=c1[nH]c(-c2cccc(I)c2)no1 118545966 CNWZFNGYEJYVLI-UHFFFAOYSA-N 288.044 1.635 0 50 CDAA COc1cccc(OC)c1Cn1cnc2cnccc2c1=O 32581797 ACAXBVMLWZQKMW-UHFFFAOYSA-N 297.314 1.857 0 50 CDAA COc1ccccc1OC1CN(Cc2cc(C)n[nH]2)C1 65396872 LSQDJKHNBJCXJD-UHFFFAOYSA-N 273.336 1.990 0 50 CDAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)N1CC[C@](C)(O)C1 253190064 RCHIAALHFCSRBI-DYEKYZERSA-N 284.400 1.746 0 50 CDAA Fc1ccc(N2CCN(CCc3ccccn3)CC2)nc1 367739724 HTJDFQFICPRSSE-UHFFFAOYSA-N 286.354 1.980 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2C)C12CCC2 521825148 BRRSLJNLJBMNOF-QWHCGFSZSA-N 275.352 1.781 0 50 CDAA CC(C)c1noc(-c2ccn3c(CN)nnc3c2)n1 409444229 RRGSOOVNWGJUEG-UHFFFAOYSA-N 258.285 1.361 0 50 CDAA C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2CO)CCN1 235697095 FHIPHDWPCNDWSZ-WUHRBBMRSA-N 254.374 1.042 0 50 CDAA O=C(C1CC1)N1CCC[C@@H](CNc2ncccn2)C1 32540597 JOVYCFNODJSPCK-NSHDSACASA-N 260.341 1.537 0 50 CDAA COCc1nc(C)cc(N2CC[C@](O)(C3CC3)C2)n1 365979222 XNBJAUJHNNFBNC-CQSZACIVSA-N 263.341 1.283 0 50 CDAA COc1nccnc1NC[C@@H]1CC(=O)N(C2CCCC2)C1 32586938 HCHSOIMPXVQRQN-NSHDSACASA-N 290.367 1.688 0 50 CDAA CN(C)c1ccc(C(=O)NCCc2ccnn2C)cc1 185871630 JKHQODOYVYQVQA-UHFFFAOYSA-N 272.352 1.459 0 50 CDAA O=C(O)C1CCN(C(=O)C[C@H](O)c2cccc(F)c2)CC1 237994604 CGAOCSUQGKAUSI-ZDUSSCGKSA-N 295.310 1.572 0 50 CDAA CCc1nn(C)c(Cl)c1CN(CC)[C@H]1COC[C@@H]1O 216032649 RUSTYMOIVMMHHU-RYUDHWBXSA-N 287.791 1.218 0 50 CDAA Cc1nccn1CC1CCN(Cc2ncc[nH]2)CC1 215821674 ISNRBUWKRNIGJD-UHFFFAOYSA-N 259.357 1.827 0 50 CDAA C[C@H]1CN(c2ccncc2Cl)C[C@H]1N1CCOCC1 246641648 ZNGIQUBZGCYFTO-SMDDNHRTSA-N 281.787 1.892 0 50 CDAA CC[C@@H](Cn1ccnc1)NC(=O)c1cnc(SC)nc1 219513351 UXXWDBZIXCCHJQ-NSHDSACASA-N 291.380 1.604 0 50 CDAA CCCn1cnnc1Cn1ccnc1-c1c[nH]cn1 72145997 PZNYBCQSQMENEP-UHFFFAOYSA-N 257.301 1.323 0 50 CDAA CC(C)CC(=O)N1CCN(C(=O)CCCCCN)CC1 37815137 VRZYMMVEALDDBH-UHFFFAOYSA-N 283.416 1.222 0 50 CDAA in-vitro Cc1noc2ncnc(N3C[C@@H](C)O[C@]4(CCOC4)C3)c12 242324346 ZAGXJYMCMJWZSN-YMTOWFKASA-N 290.323 1.310 0 50 CDAA CCc1cc(N(C)CCC(=O)NC)n2nc(C)c(C)c2n1 72456665 NBTVCGQWQXOAIL-UHFFFAOYSA-N 289.383 1.481 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCS2)o1 132832294 AEWVGXJNTPEFNE-SSDOTTSWSA-N 255.295 1.603 0 50 CDAA Cc1c(CCC(=O)N2CCCO[C@@H](C(C)C)C2)cnn1C 342126154 LTHHRFYBTAJHEB-OAHLLOKOSA-N 293.411 1.935 0 50 CDAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc2cc[nH]c12 181209165 RCDDUHXBEBQMIG-LLVKDONJSA-N 297.358 1.909 0 50 CDAA CC(C)Oc1cccnc1C(=O)N(C)c1cnn(C)c1 176002690 SYBWZZSIHILIIA-UHFFFAOYSA-N 274.324 1.879 0 50 CDAA C[C@](O)(CNc1cc(Br)ccn1)C(=O)O 263550657 KONRKCBCGQQSSY-VIFPVBQESA-N 275.102 1.092 0 50 CDAA CC(C)[C@@H]1N(C(=O)c2ccc(=O)[nH]n2)CC12CCC2 292289486 IFVOZXZHJLSYKZ-LBPRGKRZSA-N 261.325 1.421 0 50 CDAA Cc1nc(C(=O)NCc2nnc3n2CCCC3)cs1 49341965 GMLWBBXABJEBDN-UHFFFAOYSA-N 277.353 1.309 0 50 CDAA Cc1ccccc1-n1c(CN)nnc1SCCCO 426507876 MSOKEAQTBURAEZ-UHFFFAOYSA-N 278.381 1.509 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)C1Cc2ccccc2C1 426394765 YDSIXRSQKHCEQV-LLVKDONJSA-N 284.363 1.890 0 50 CDAA COc1ncc(C(=O)N2CC(N3CCCC[C@H]3C)C2)cn1 426488176 IHCLXUJPDPGABR-LLVKDONJSA-N 290.367 1.184 0 50 CDAA Cc1ccn2c(C(=O)N[C@@H]3CCc4ccccc43)nnc2n1 426641505 KGGVGQRZDZMJMR-CYBMUJFWSA-N 293.330 1.850 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cn3cccc(C)c3n2)n[nH]1 426408876 COZVVTLQMDNYSL-SECBINFHSA-N 284.323 1.560 0 50 CDAA CC[C@@H]1CN(c2nccc(-c3cnn(C)c3)n2)CCN1C 82039334 UOUBWACEMQUPLL-CYBMUJFWSA-N 286.383 1.408 0 50 CDAA CCn1cnc(NC(=O)N[C@@H]2CCOC(C)(C)C2)n1 48115543 VSMURVAWRLDLLO-SECBINFHSA-N 267.333 1.377 0 50 CDAA Cc1cccn2cc(C(=O)N3CCc4nocc4C3)nc12 426552268 HCMULNLVPBTDAG-UHFFFAOYSA-N 282.303 1.829 0 50 CDAA CC(C)(C)[C@H]1CN(C(=O)CCc2cncnc2)CCO1 293823078 DKOQIXFGHARXES-CYBMUJFWSA-N 277.368 1.683 0 50 CDAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1CN1CCCCC1 95531935 WWWBOUHOPCWDGL-VXGBXAGGSA-N 250.342 1.605 0 50 CDAA CCN(CCn1cccn1)C(=O)[C@H]1COc2ccccc2C1 95519680 ZPHCOVPYMDHJSD-OAHLLOKOSA-N 299.374 1.983 0 50 CDAA CC(C)N1CC[C@@H](NC(=O)c2cccc3c[nH]nc23)C1=O 335828990 QIEHJURSPXXORZ-GFCCVEGCSA-N 286.335 1.302 0 50 CDAA CC(C)[C@@H](NC(=O)Nc1ccc(Cl)nc1)C(=O)N(C)C 95502681 ACLDBGSKWSTLFC-LLVKDONJSA-N 298.774 1.969 0 50 CDAA CN(C)c1nc(N2CCOC3(CCCC3)C2)ncc1F 95381896 LCCDICDUGBZDFF-UHFFFAOYSA-N 280.347 1.831 0 50 CDAA CCc1cnc(N(C)C[C@H]2CCN(CCOC)C2)nc1 95388919 GMJFKIBGKPIQTD-CQSZACIVSA-N 278.400 1.444 0 50 CDAA COc1cc(N)ncc1I 142503006 QWGWTCVCNBZBHK-UHFFFAOYSA-N 250.039 1.277 0 50 CDAA in-vitro CC[C@]1(CO)CCCN1C(=O)c1ncoc1C1CC1 295055307 ZMLDQUCRNAYPCU-CQSZACIVSA-N 264.325 1.929 0 50 CDAA NCCC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 237848240 ZTEAQPRPYMLHPQ-UHFFFAOYSA-N 299.777 1.472 0 50 CDAA Cc1[nH]nc(CN(C)CCn2ccnc2)c1Cl 97681738 JOYJNDSZMORACI-UHFFFAOYSA-N 253.737 1.700 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)Nc2cn(C)nc2C)[nH]n1 97527322 AHMBXKCJSHGSEK-QMMMGPOBSA-N 276.344 1.513 0 50 CDAA CCc1nccn1CCNC(=O)CC[C@H]1CCCCN1C 95359308 QZJXSBNOSDWUAF-CQSZACIVSA-N 292.427 1.826 0 50 CDAA CSCc1noc(CN(C)Cc2nncn2C(C)C)n1 244678546 IFOPPPABSJQOEW-UHFFFAOYSA-N 296.400 1.737 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NCc1cc(C(=O)O)c(C)o1 299751904 SGHOHVHAWXBLAG-WDEREUQCSA-N 267.281 1.327 0 50 CDAA CC(C)Oc1cccc(-c2nccc(=NCC(=O)O)[nH]2)c1 534642235 MWJIPLPYFORXDB-UHFFFAOYSA-N 287.319 1.849 0 50 CDAA CN(C)C(=O)NCC(=O)NC1(c2cc(F)ccc2F)CC1 534640195 DWIHTPWBDXMNAY-UHFFFAOYSA-N 297.305 1.341 0 50 CDAA Cc1nccn1-c1ccc(CNC(=O)[C@H]2C=CCN2)cc1 534640767 OXZPWVBLDJLNTR-OAHLLOKOSA-N 282.347 1.325 0 50 CDAA CC[C@H](NC(=O)N(C)Cc1ncon1)c1ccnn1C 534673004 DHZLUEGBUWDUCP-VIFPVBQESA-N 278.316 1.096 0 50 CDAA O=C(O)[C@H]1Cc2nc[nH]c2CN1Cc1ccc2cc[nH]c2n1 534664684 KFFPCVGQKQZXOV-CYBMUJFWSA-N 297.318 1.298 0 50 CDAA O=C(O)CCCC(=O)NCC1(N2CCCC2)CCCC1 534660416 ZLIDQMMVRGMJLC-UHFFFAOYSA-N 282.384 1.766 0 50 CDAA CC[C@H](NC(=O)Cc1ccsc1)c1ncnn1C 534659535 KYFSFAZBDBTTTQ-JTQLQIEISA-N 264.354 1.687 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)NCCC(C)(C)OC)c1 534657438 CRTGTBWLJYJIMV-UHFFFAOYSA-N 295.335 1.938 0 50 CDAA CC(C)N1C[C@@H](CNC(=O)CCn2cccc2)CC1=O 299793149 JNRDLSPXLUYKRS-CYBMUJFWSA-N 277.368 1.251 0 50 CDAA CN(CCN1CCCC1)C(=O)[C@H]1CC[C@@H](O)CC1 828863555 XLFJABRSBKJYGV-BETUJISGSA-N 254.374 1.092 0 50 CDAA COc1ccc(-n2ncnc2[C@H]2CCCNC2=O)cc1 824698908 CNNWNNZDCGOSHW-GFCCVEGCSA-N 272.308 1.270 0 50 CDAA COc1cc(C)nc(N2CCC(c3ncccn3)CC2)n1 1548522657 BGCXEIYWXJQOGY-UHFFFAOYSA-N 285.351 1.968 0 50 CDAA COC1(c2nccn2C)CN(c2nc(C)cc(C)n2)C1 1548519192 NNQGZOICXXNNDV-UHFFFAOYSA-N 273.340 1.189 0 50 CDAA O[C@H](Cc1ccccc1)c1cn(C2CCNCC2)nn1 696326476 UTCQLLGCHPPEIG-OAHLLOKOSA-N 272.352 1.479 0 50 CDAA CN(C)c1cc(CN[C@@H]2CCN(C(C)(C)C)C2=O)ccn1 1875284133 OAHSISKUAAFYDY-CYBMUJFWSA-N 290.411 1.637 0 50 CDAA COC(=O)[C@H]1C[C@H]2C[C@H]1CN(c1ncnc3[nH]ccc13)C2 1875299373 IWHMJCGPOFLNFC-SCVCMEIPSA-N 286.335 1.593 0 50 CDAA NCc1ccc2nc(C(=O)N3CC4CCC3CC4)cn2c1 1875315463 WDXPHCPEMYQBAD-UHFFFAOYSA-N 284.363 1.808 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@H]1Cc2ccc(Cl)cc21 1875323942 DJDRUBIHUUOPLB-JDGPPOGSSA-N 279.723 1.825 0 50 CDAA Cc1cc(=O)c2cc(NC(=O)[C@@]3(N)CC3(C)C)ccc2[nH]1 1875315343 PVAPACMXNXEOIF-INIZCTEOSA-N 285.347 1.902 0 50 CDAA CC[C@H](CNC(=O)[C@@H]1c2ccccc2N[C@H]1C)C(=O)O 1875309971 WTKZGOFXJNAORB-CWSCBRNRSA-N 276.336 1.811 0 50 CDAA CN1Cc2nncn2C[C@H]1c1nc(-c2ccco2)no1 952894696 PNUDPJYSMHVACF-QMMMGPOBSA-N 272.268 1.108 0 50 CDAA OC[C@H]1CCCN(CCNCc2ccc(F)c(F)c2)C1 952972056 YZHRQAOLHDVIDN-ZDUSSCGKSA-N 284.350 1.759 0 50 CDAA CCCc1nc(C)cc(N[C@H]2CCS(=O)(=O)C2)n1 952872016 HUDOSGSMZZOZFO-JTQLQIEISA-N 269.370 1.337 0 50 CDAA CCCCc1ncc(CN(C)[C@@H](C)CC(N)=O)[nH]1 952990118 KLOHTGMGIGDDJG-JTQLQIEISA-N 252.362 1.448 0 50 CDAA CCCc1noc(CN(C)S(=O)(=O)N(CC)CC)n1 952975515 WEVXYFIHBIQTHZ-UHFFFAOYSA-N 290.389 1.041 0 50 CDAA CC[C@](C)(O)CNc1ccc2nnc(-c3ccccn3)n2n1 1335420782 IJVVGPNAFSVGFJ-HNNXBMFYSA-N 298.350 1.759 0 50 CDAA C[C@]1(O)CCN(C(=O)COc2ccc(Cl)cc2)C[C@H]1O 1565516788 RPRKQGVROSQMBW-OCCSQVGLSA-N 299.754 1.063 0 50 CDAA NC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 276964671 PQNVUUXRSPENBE-GXFFZTMASA-N 275.283 1.574 0 50 CDAA CC[C@@H](N=c1nc(O)c2cnn(C)c2[nH]1)[C@@H]1CCCCO1 585091317 JSZQYNQPQNXJAT-MNOVXSKESA-N 291.355 1.250 0 50 CDAA CNC(=O)[C@H](NC(=O)CNc1ccccc1Cl)C(C)C 170681833 KGPIFBOZSWMANB-CYBMUJFWSA-N 297.786 1.639 0 50 CDAA c1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ncc[nH]2)nc1 1073265481 LCKKGZYRIFRGIT-ZBFHGGJFSA-N 297.406 1.901 0 50 CDAA COc1ccccc1CN[C@@H](C)[C@@H]1CN(C)CCN1C 585117533 JRCYAESXUDYRND-ZFWWWQNUSA-N 277.412 1.419 0 50 CDAA Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccnc1O 282176441 RPUARKIVBLHZJR-ZDUSSCGKSA-N 286.335 1.888 0 50 CDAA CN(CC1(CO)CC1)C(=O)Nc1ccccc1N(C)C 187538565 NLUXOJPRXHENHJ-UHFFFAOYSA-N 277.368 1.989 0 50 CDAA CN(Cc1nn[nH]n1)C(=O)c1ccccc1C(C)(C)C 706392617 WMJWVBQSELHOCC-UHFFFAOYSA-N 273.340 1.769 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CC=CCC2)cn1 189994841 FDIXFWGMMJILKP-FPMFFAJLSA-N 275.352 1.723 0 50 CDAA c1cnn(-c2ccnc(-c3nc(-c4cnccn4)no3)c2)c1 225463227 FFGSTLIUDQYGAY-UHFFFAOYSA-N 291.274 1.774 0 50 CDAA Cc1nnc(COC2CN([C@@H](C)c3ccccn3)C2)o1 643832605 JPBOKIHPFSIYSQ-JTQLQIEISA-N 274.324 1.735 0 50 CDAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCCCC2CCOCC2)C1 643959880 JCPPBHPRTPNADH-ZACQAIPSSA-N 296.455 1.771 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CCN(C)[C@@H](C)C2)CC(C)(C)O1 225748882 IFTMEZITXDHWAS-AVGNSLFASA-N 268.401 1.743 0 50 CDAA CCc1nnc(CN2CCSC[C@H]2c2cnn(C)c2)o1 191210279 XZNHPSAKYWTNGH-NSHDSACASA-N 293.396 1.656 0 50 CDAA Cn1cc([C@@H]2CSCCN2C(=O)c2ccncc2)cn1 192001431 QQODLRBHYUPWQQ-ZDUSSCGKSA-N 288.376 1.745 0 50 CDAA COC[C@]1(C)NC(=O)N(c2cc(F)cc(F)c2)C1=O 192413783 YJTJPYNXOVCUBQ-LBPRGKRZSA-N 270.235 1.426 0 50 CDAA CN(Cc1noc(CCCC(=O)O)n1)Cc1ccco1 566358952 AAYMKSYURLKOFZ-UHFFFAOYSA-N 279.296 1.702 0 50 CDAA CN(Cc1nc[nH]n1)C(=O)Cc1ccc2c(c1)CCCO2 572884138 YIYDUCNWBBOGKT-UHFFFAOYSA-N 286.335 1.331 0 50 CDAA CN1CCC[C@@H]2CN(C(=O)C3(C(=O)O)CC=CC3)CC[C@H]21 663052832 XETHCICWOPMQAF-CHWSQXEVSA-N 292.379 1.350 0 50 CDAA Cc1c[nH]nc1C(=O)N1CCOC[C@H]1Cc1ccccc1 669609039 ISGOANNKASWEAJ-CQSZACIVSA-N 285.347 1.802 0 50 CDAA COCc1cccc(-n2cc(COC(=N)O)nn2)c1 725263082 JYBSKUHXYCBWAG-UHFFFAOYSA-N 262.269 1.423 0 50 CDAA Cc1noc([C@H]2CCN(Cc3ncc(Cl)n3C)C2)n1 794140854 QWCZJRBJIIKYJA-VIFPVBQESA-N 281.747 1.754 0 50 CDAA CCNCc1ccccc1NC(=O)[C@@H]1OCCO[C@@H]1C 911684989 JZXICMSLWYWSMH-BXUZGUMPSA-N 278.352 1.539 0 50 CDAA C[C@]1(C(=O)NCCC(=O)N2CCCCC2)CCCO1 408020560 CVLPXTYFRYSLSP-CQSZACIVSA-N 268.357 1.074 0 50 CDAA COc1ccc(F)cc1CN(CCO)Cc1cncn1C 1704335503 BBYHXMYZCXJVER-UHFFFAOYSA-N 293.342 1.562 0 50 CDAA CO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)CC[C@@H]1O 1704335743 RCJSGSQVZQCMEH-DDTOSNHZSA-N 281.327 1.618 0 50 CDAA C[C@H]1CC[C@H](C(=O)NC2CCC(C(=O)O)CC2)O1 157884387 GCBXPRHHCSQXFL-IDWGSYCQSA-N 255.314 1.314 0 50 CDAA CC(C)N1CCCN(c2cnc(C(=O)O)cn2)CC1 1529100008 LWGGBUZGNMCWSJ-UHFFFAOYSA-N 264.329 1.095 0 50 CDAA O=S(=O)(NCc1cn2c(n1)CCCC2)c1cccs1 263743455 FJNOOIQODLDCBJ-UHFFFAOYSA-N 297.405 1.759 0 50 CDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1CCOc1ccc(F)cc1 1772705746 MYLVLBPVXKUCBJ-GXTWGEPZSA-N 292.354 1.900 0 50 CDAA O=C(c1cccs1)[C@H](O)O[C@@H](O)C(=O)c1cccs1 1775965251 YELKVLYPTIGJLS-VXGBXAGGSA-N 298.341 1.529 0 50 CDAA Cc1ccnc(C[C@@H](C)N(C)c2nnc(CN(C)C)o2)c1 1772702545 SQGSJNVGRMZNSY-GFCCVEGCSA-N 289.383 1.902 0 50 CDAA CN(C)CC[C@@H]1CN(C(=O)CCc2cccs2)CCO1 11817469 ARDYYLUWNWIDGC-CYBMUJFWSA-N 296.436 1.860 0 50 CDAA CSCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12455225 USETUKODNTVBRK-LLVKDONJSA-N 284.425 1.647 0 50 CDAA Cc1ccccc1CS(=O)(=O)NCCCN1CCCC1 13673689 JYXPSNOUMTXKGB-UHFFFAOYSA-N 296.436 1.900 0 50 CDAA Cc1cc(=O)[nH]c(=O)n1-c1ccccc1Br 16578562 FTJFSJKEGTVFRO-UHFFFAOYSA-N 281.109 1.597 0 50 CDAA CCc1n[nH]c(SCc2nc(-c3cn(C)cn3)no2)n1 19147253 GKLXVMGPDDRAKM-UHFFFAOYSA-N 291.340 1.443 0 50 CDAA Clc1ccc(CNCCN2CCOCC2)cc1 19871929 KYCCQYLTLCWVHE-UHFFFAOYSA-N 254.761 1.762 0 50 CDAA Cc1ccc(F)cc1NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 169300982 KBTYMRLQHKKWIC-NDBYEHHHSA-N 293.294 1.951 0 50 CDAA CO[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)cc2)C[C@H]1N 1857714647 FSXTYPXYDFMVEO-NWANDNLSSA-N 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O=C(O)[C@H]1[C@H](C(=O)Nc2ccccc2Cl)[C@H]2C=C[C@H]1O2 239439157 ZMVQYLUXIYDAKS-DDHJBXDOSA-N 293.706 1.933 0 50 CDAA CCC[C@@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)O 262615794 BPFRPOWCZXZQAZ-SECBINFHSA-N 292.744 1.267 0 50 CDAA CC(C)OCC(=O)Nc1cnn(C(C)(C)C(=O)O)c1 262813526 OLHLCTDNVMKIBG-UHFFFAOYSA-N 269.301 1.066 0 50 CDAA CS(=O)(=O)[C@H]1CCCN(Cc2nccn2C(F)F)C1 274232359 WUBVTTZDSNXXHN-VIFPVBQESA-N 293.339 1.287 0 50 CDAA NCCOc1cccc(C(=O)NCC[C@@H]2CCOC2)c1 426485668 HVLRAANBGWAFAU-GFCCVEGCSA-N 278.352 1.181 0 50 CDAA COCC1(CNC(=O)[C@H]2CCCNC2)CCCC1 584886364 KYNGYSCTCFCAJQ-LBPRGKRZSA-N 254.374 1.309 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2ncccc2O)C1 584887544 SLODDDMVJLMTBU-LLVKDONJSA-N 264.325 1.676 0 50 CDAA CC1(C)C[C@H](O)CCN(CC2(O)CCOCC2)C1 930649451 CQLOIMBUZMJOFI-GFCCVEGCSA-N 257.374 1.011 0 50 CDAA CC1=CC[C@@H](C(=O)N(Cc2nn[nH]n2)C2CC2)CC1 2325807097 ZMJBLINYDXHVSE-SNVBAGLBSA-N 261.329 1.437 0 50 CDAA COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)c(OC)c1 295194 GXPHSEXJDZAWQX-MWLCHTKSSA-N 269.322 1.492 0 50 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Cc1c(CNC(=O)N2CCC[C@@H](N(C)C)CC2)cnn1C 426677331 ARBPJJSBJWQMQG-CQSZACIVSA-N 293.415 1.354 0 50 CDAA Cc1nc([C@@H](C)N(C)C(=O)CN2CCOCC2)c(C)s1 223636959 CPMYKSBGNOFWCZ-SNVBAGLBSA-N 297.424 1.612 0 50 CDAA Cc1cc(C)nc(CNC(=O)N(C)Cc2cnccn2)n1 426465255 PESBCIVJFIRNFR-UHFFFAOYSA-N 286.339 1.225 0 50 CDAA Cc1cc(CNC(=O)c2ncn(C)n2)ccc1Cl 291196475 FTOAKYLXLNNWAW-UHFFFAOYSA-N 264.716 1.707 0 50 CDAA Cc1nnc(CCNC(=O)c2ccn(C)c2C)s1 426737344 FUWVXSNKHIRJMX-UHFFFAOYSA-N 264.354 1.466 0 50 CDAA COCCc1nc([C@H]2CNCCO2)n(C2CCCCC2)n1 96150049 KTBBOEWHDXLWEN-CYBMUJFWSA-N 294.399 1.633 0 50 CDAA CCC(=O)N1C[C@@H](N(C)C)[C@H](c2ccc(OC)cc2)C1 95363476 RURJWESVAOGJHQ-LSDHHAIUSA-N 276.380 1.961 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)[C@@H]1COc2ccccc2C1 95506631 STUNXXPMFPAJNG-ZDUSSCGKSA-N 285.347 1.928 0 50 CDAA CC[C@H](C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)on1 236903324 WQERSYXZDGSBNJ-GZMMTYOYSA-N 282.296 1.114 0 50 CDAA CC(C)c1nccc(C(=O)NCCc2csc(=N)[nH]2)n1 426503013 AFKBFRHRYSBJON-UHFFFAOYSA-N 291.380 1.442 0 50 CDAA CNc1nc(C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)cs1 91986716 GRWNUKXPQMQJPD-DTWKUNHWSA-N 295.364 1.368 0 50 CDAA COCCc1nc(CSc2ccncc2)n(C)n1 95497342 DDRKZLZWOLNQHF-UHFFFAOYSA-N 264.354 1.691 0 50 CDAA COCCc1noc(CN(C)Cc2cncn2C(C)C)n1 97594831 YHGDGUGSAVZVEF-UHFFFAOYSA-N 293.371 1.668 0 50 CDAA CCc1noc([C@H]2CCCN(C3CCOCC3)C2)n1 95373641 SWPWMGQFEBMHOG-NSHDSACASA-N 265.357 1.990 0 50 CDAA CC(C)NC(=O)CN1CC(Oc2ccccc2F)C1 244764149 PCFOKOPAKFMTTM-UHFFFAOYSA-N 266.316 1.413 0 50 CDAA CC[C@@H](C(=O)NCCCc1cnn(C)c1)n1cccn1 244724254 MQPGVGMKLWMEJA-ZDUSSCGKSA-N 275.356 1.317 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 299748327 GYCPALKFHDIGMW-CHWSQXEVSA-N 285.303 1.209 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)O 299751040 PHBZSTVROGATBE-SCUASFONSA-N 291.347 1.990 0 50 CDAA C=CC(=O)N1C[C@H](c2cnn(C)c2)C2(CCOCC2)C1 863971052 CWAWKJWYTFYUTC-CYBMUJFWSA-N 275.352 1.329 0 50 CDAA CC[C@H](NC(=O)c1cccc(F)c1O)[C@H]1C[C@H](O)C1 252552160 UQBYCLQEKSMTSU-AUTRQRHGSA-N 267.300 1.811 0 50 CDAA CCN(C)[C@H](C)C(=O)NCc1nn(C)c2ccc(C)cc12 534633679 QXJFVVIGNIAQDT-GFCCVEGCSA-N 288.395 1.838 0 50 CDAA O=C(Cn1ccnc1)NC1(c2ccccc2)CCOCC1 534634165 DNXXUCWRTWHTQF-UHFFFAOYSA-N 285.347 1.705 0 50 CDAA Cc1nn(CC(N)=O)c(C)c1-c1ccc(C(=O)O)s1 534583474 AHVPUOHJJOHOOG-UHFFFAOYSA-N 279.321 1.412 0 50 CDAA CC(C)C1(NC(=O)[C@@H]2CSC(C)(C)C(=O)N2)CC1 534642249 NMLBVIUBJVDNGR-VIFPVBQESA-N 270.398 1.301 0 50 CDAA Cn1cncc1C(=O)NC(C)(C)CN1CCCC1 457051679 NIFIZXHPKLUJMG-UHFFFAOYSA-N 250.346 1.024 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)[C@@H]2CC=CCC2)o1 534675279 QIOUHVUMEYEDGP-LLVKDONJSA-N 276.336 1.954 0 50 CDAA CCOCC(=O)NCC1(Cn2ccnc2CC)CC1 299772628 AJORPDSVVWIOHF-UHFFFAOYSA-N 265.357 1.378 0 50 CDAA CN(CC(N)=O)Cc1cc(CN2CCCC2)cs1 823719798 CABCVQIANOYBNU-UHFFFAOYSA-N 267.398 1.261 0 50 CDAA CCc1nnc(NC(=O)c2c(C)coc2CC(=O)O)s1 585134478 VPDPKTMCIWRSDN-UHFFFAOYSA-N 295.320 1.881 0 50 CDAA COc1ccnc(C(=O)N(C)CC2(C)COC2)c1 584902861 YGGREYVUGJNCBM-UHFFFAOYSA-N 250.298 1.199 0 50 CDAA COCC[C@@H]1CN(C2Cc3ccccc3C2)CCO1 670439692 AXGIXCNFJJXGQK-MRXNPFEDSA-N 261.365 1.891 0 50 CDAA CO[C@@H]1CCOC[C@H]1n1cnc2c(C)cc(C)cc2c1=O 584895769 UFFFHEPGBZJHPB-ZIAGYGMSSA-N 288.347 1.990 0 50 CDAA COc1nc(NCC[C@H]2CCCCN2C)ncc1F 670462626 RYDPQZJMIRMJNR-SNVBAGLBSA-N 268.336 1.911 0 50 CDAA Cc1csc2c(=O)n(CCc3n[nH]c(=N)s3)cnc12 584898711 UYBNVGDAFUCOBZ-UHFFFAOYSA-N 293.377 1.273 0 50 CDAA CN(C)C1(CNC(=O)Cn2ccc(=O)cc2)CCCCC1 670436521 VJWUVFRZKHKTSV-UHFFFAOYSA-N 291.395 1.229 0 50 CDAA COC(=O)[C@@H](CN[C@H](C)CCn1cccn1)CC1CC1 952963285 FPHRKFDHDZBHKI-TZMCWYRMSA-N 279.384 1.841 0 50 CDAA CC[C@H](CNC(=O)[C@H]1c2ccccc2N[C@@H]1C)C(=O)O 1875309972 WTKZGOFXJNAORB-GIPNMCIBSA-N 276.336 1.811 0 50 CDAA Cc1nc(C(=O)N[C@@]2(c3ncc[nH]3)CCOC2)c(C)o1 886096482 JGOKNHXKNXLFSX-ZDUSSCGKSA-N 276.296 1.060 0 50 CDAA COCc1nn(C)cc1C(=O)N1CCOC[C@@]1(C)C1CC1 890589545 PGAIEZWRKNAMPC-HNNXBMFYSA-N 293.367 1.208 0 50 CDAA Cc1nnc(NC[C@]2(c3ccccc3)C[C@H](O)C2)nc1C 895595224 YCNBXGCSQXHDET-KOMQPUFPSA-N 284.363 1.993 0 50 CDAA Cc1cc(S(=O)(=O)N2CCO[C@@H](C3(C)N=N3)C2)c(C)o1 1775989070 BWDMDKUGCDEOLT-LLVKDONJSA-N 299.352 1.468 0 50 CDAA COCc1c(C(=O)O)nnn1-c1cccc(F)c1 45891955 MOOKURYRTVVUNI-UHFFFAOYSA-N 251.217 1.251 0 50 CDAA in-vitro CCn1c(C)cc2[nH]nc(NC(=O)C3CC3)c2c1=O 898030339 ULWBDETUOJUNGS-UHFFFAOYSA-N 260.297 1.401 0 50 CDAA CN(C[C@]1(O)CCc2ccccc21)c1ncc(F)cn1 1364214559 XAYWYZNRKIDPKE-OAHLLOKOSA-N 273.311 1.886 0 50 CDAA N[C@@H]1C[C@H](NC(=O)c2cccc3c2CCOC3)C12CCC2 1580163769 PAGWVJUMILUADF-CABCVRRESA-N 286.375 1.759 0 50 CDAA CCCS(=O)(=O)N1CCN(Cc2cccc(C)c2)CC1 19842784 JRYREYQKTXFLNS-UHFFFAOYSA-N 296.436 1.852 0 50 CDAA CN1C[C@H](c2nc(Cc3ccc(F)cc3F)no2)CC1=O 273714067 IJGRPBPQIXHMOT-SECBINFHSA-N 293.273 1.884 0 50 CDAA C[C@@H]1CCN(CC(=O)NCC2CCC2)[C@H]([C@@H](C)O)C1 170087665 DASODIWMXPICSN-BZPMIXESSA-N 268.401 1.384 0 50 CDAA COc1nc(C)cc(=N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[nH]1 408219121 LJUQHDTWSCOLSD-MVWJERBFSA-N 263.341 1.441 0 50 CDAA C[C@H](O)CNc1cc(N2C[C@H](C)O[C@H](C3CC3)C2)ncn1 408521332 PPRZGIHVJWHPSL-GVXVVHGQSA-N 292.383 1.273 0 50 CDAA C[C@@H]1CN(CCSc2nnc(C(C)(C)C)n2N)CCO1 170605518 UPFNKJCVYUFCCH-SNVBAGLBSA-N 299.444 1.102 0 50 CDAA Cc1nc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c[nH]1 170601519 LQSWVJKFVZKUPJ-SNVBAGLBSA-N 287.319 1.580 0 50 CDAA NCCC(=O)N1CCC[C@@H](COc2ccccc2)C1 170673788 YVPBJACJVKTACD-CYBMUJFWSA-N 262.353 1.653 0 50 CDAA CO[C@H](C)c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 109609502 CMRGIECOIPAGQW-MRVPVSSYSA-N 282.321 1.848 0 50 CDAA Cc1cccnc1CNC(=O)N[C@H](C)c1cn(C)nc1C 171709938 HHSABIITIVGGBO-LLVKDONJSA-N 287.367 1.992 0 50 CDAA Cc1onc(N)c1S(=O)(=O)N(C)[C@H](C)c1ccccc1 281296976 YSMQCDQGJSUSMX-SECBINFHSA-N 295.364 1.947 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CN)c(C)c1 111372815 NNZXZYPCNWCOHI-GFCCVEGCSA-N 268.382 1.415 0 50 CDAA CO[C@H](C)CS(=O)(=O)N(C)c1ncccc1F 281704559 FPYIKHIUJZHYOK-MRVPVSSYSA-N 262.306 1.022 0 50 CDAA CC(C)c1ccc(S(=O)(=O)[C@H](C)c2nnnn2C)cc1 188923049 ZFWUSGUZVMCPJG-SNVBAGLBSA-N 294.380 1.868 0 50 CDAA CCN(CC(N)=O)Cc1sc(C)nc1C(F)(F)F 191720399 INWSVRNFCOPEBY-UHFFFAOYSA-N 281.303 1.778 0 50 CDAA CCc1ncnc(N2C[C@H](C(=O)O)C3(CCC3)C2)c1F 575607733 JLYKXYQZTFNTBB-SECBINFHSA-N 279.315 1.869 0 50 CDAA C[C@H](C(=O)NC/C=C/CNC(=O)[C@@H](C)C1CC1)C1CC1 585087876 ZAXJKBUSLVZKGB-QSKOYVBTSA-N 278.396 1.867 0 50 CDAA Cc1nc2cc(CNC(=O)[C@@H]3CC[C@H](N)C3)ccc2n1C 216995340 LTTRJWKQGIGTES-OLZOCXBDSA-N 286.379 1.625 0 50 CDAA CCOC[C@H]1CCN(C(=O)[C@@H](CC)C(=O)OCC)C1 408521575 ZDQBRSXVUULDAJ-NWDGAFQWSA-N 271.357 1.461 0 50 CDAA C[C@H]1CN(S(=O)(=O)CC2CCC2)C2(CCC2)CO1 651878824 DJSDIMPJBQGPQK-NSHDSACASA-N 273.398 1.760 0 50 CDAA C[C@@H](Cc1ccsc1)NC(=O)N1CCOCC1 132596337 GLPVTCSKCXTPGN-JTQLQIEISA-N 254.355 1.721 0 50 CDAA CC(C)[C@H]1CN(C(=O)CCc2cncs2)CCO1 345752641 FGCUXLBIMAIRQD-GFCCVEGCSA-N 268.382 1.959 0 50 CDAA CN(C)c1nccnc1NC[C@H](O)CN1CCCCCC1 1704302399 JHRJFJRALFNTFB-ZDUSSCGKSA-N 293.415 1.191 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)Cn1cccn1)C2 1704326787 MRMWNMBRUTXLQJ-HIFRSBDPSA-N 277.368 1.691 0 50 CDAA Cc1ncccc1CCNC(=O)[C@@H]1C[C@@H]2C[C@H](N)[C@@H]2C1 1615002172 OCUYNCFFKMAHAJ-TUVASFSCSA-N 273.380 1.422 0 50 CDAA Cc1nonc1CC(=O)N[C@@H]1COc2cccc(Cl)c21 1615052601 VJQSXXCFDQJJTP-SNVBAGLBSA-N 293.710 1.824 0 50 CDAA Cc1cc2c(N3C[C@H](O)[C@@H](F)C3)ncnc2s1 1615737795 YPXUKTMRBCFKDF-IUCAKERBSA-N 253.302 1.519 0 50 CDAA CCCNC(=O)c1nnn(-c2ccccc2F)c1C 16606959 MDHNWVSBVHAELP-UHFFFAOYSA-N 262.288 1.855 0 50 CDAA CN1C[C@H](c2nnc3n2-c2ccccc2OC3)CC1=O 1775983208 IUAUQMIWOVFZAM-SECBINFHSA-N 270.292 1.105 0 50 CDAA c1ccc2c(c1)Cn1c(CCn3cccn3)nnc1CO2 1775981228 QYXBFOVAWKKDCQ-UHFFFAOYSA-N 281.319 1.658 0 50 CDAA CC[C@@]12C[C@H]1CN(c1ccc(S(C)(=O)=O)cn1)C2 1772810163 JWIDOGXDANERKE-GWCFXTLKSA-N 266.366 1.721 0 50 CDAA COc1ccc(N2C(=O)N(C)O[C@H]2CC(=O)O)cc1 12336340 GWXZWHFAJLUZQG-JTQLQIEISA-N 266.253 1.299 0 50 CDAA CCCN1CCN(C(=O)c2cccc(F)c2)CC1 16580204 WKXSTSFXWCLUFU-UHFFFAOYSA-N 250.317 1.994 0 50 CDAA Cc1cc(O)n2nc(NC(=O)c3ccccc3C)nc2n1 18221945 MVIPMKRJGDPKPM-UHFFFAOYSA-N 283.291 1.699 0 50 CDAA COc1cccc(OCCCN2CCNCC2)c1 19728646 BUHJPPXYZRKQBL-UHFFFAOYSA-N 250.342 1.369 0 50 CDAA CC(C)Nc1cc(N2C[C@@H]3CCOC[C@]3(CO)C2)ncn1 1857668795 CZCZZRIOFLINLK-SWLSCSKDSA-N 292.383 1.132 0 50 CDAA O=C(Cc1ccc(CO)cc1)N1CCC[C@@]12CCC[C@H]2O 1857694735 IUICKJAAHAREBX-NVXWUHKLSA-N 289.375 1.627 0 50 CDAA CN1CC[C@@H](n2ccnc2-c2ccc(N(C)C)nc2)C1=O 1857697563 DJQGFVNRAXXVNM-GFCCVEGCSA-N 285.351 1.414 0 50 CDAA N[C@@H]1C[C@@H](C(=O)NCc2cccc3ccccc23)CC[C@H]1O 1857735878 JHQJDOLMCYOBND-IAOVAPTHSA-N 298.386 1.944 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)NCc1cc2ccccc2o1 521361291 UJWXOCMCLHYDNT-GHMZBOCLSA-N 259.261 1.770 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@H](C)[C@H]2CN)nn1C 236599893 GGVVZINHSUBEPM-SMDDNHRTSA-N 278.400 1.743 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 237655565 LYYIUYRMUYJXFL-CYBMUJFWSA-N 263.297 1.224 0 50 CDAA CCn1nnc2c1CCN(C(=O)OC(C)(C)C)[C@H]2CO 306125366 CNQWHQLQVUPDTQ-JTQLQIEISA-N 282.344 1.125 0 50 CDAA in-vitro Cc1nc(-c2noc([C@@H]3CCc4nnn(C)c4C3)n2)co1 329437501 AGQJQRRNUFZYIQ-MRVPVSSYSA-N 286.295 1.434 0 50 CDAA COc1cc(CNC(=O)C2(O)CCCC2)cc(OC)c1O 330664494 YNSZRNOERPSBBU-UHFFFAOYSA-N 295.335 1.331 0 50 CDAA O=C(O)c1ccc(OCCNC(=O)C2CCOCC2)cc1 537482885 VTMBAVSBSVPFJA-UHFFFAOYSA-N 293.319 1.306 0 50 CDAA Cn1ccnc1[C@@H]1CCCN(Cc2ncnn2CCF)C1 242284663 YIRSEBRNSTWXQW-GFCCVEGCSA-N 292.362 1.361 0 50 CDAA CN(C[C@@H]1CCC=CO1)[C@H](C(N)=O)c1cccc(F)c1 252491006 LIDAXOLBLKUVLN-KBPBESRZSA-N 278.327 1.977 0 50 CDAA CCN1CCN(C[C@@H](O)COCc2ccccc2)CC1 19790727 JLCAHOLJNZHZOZ-MRXNPFEDSA-N 278.396 1.202 0 50 CDAA CCOCc1nc(C)cc(N2CC[C@@H](N(C)C)[C@@H]2C)n1 928996411 RLXNHFOPFRCYFI-QWHCGFSZSA-N 278.400 1.850 0 50 CDAA Cc1nc(C)n(C[C@@H]2CCCN([C@H]3CCOC3)C2)n1 225392421 YBSIYBXQQXGAAD-KGLIPLIRSA-N 264.373 1.396 0 50 CDAA COCCn1cc(NC(=O)c2cc(C(=O)O)co2)cn1 228141919 ISWWOQLOPYLRDW-UHFFFAOYSA-N 279.252 1.073 0 50 CDAA O=C(c1ccsc1)N1CCN([C@H]2CCOC2)CC1 268424817 LZNBNTOAOSGHBC-LBPRGKRZSA-N 266.366 1.295 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N(C)[C@@H]1CCC[C@H]1O 286171811 CXLATSDCWOIGBQ-GHMZBOCLSA-N 251.330 1.022 0 50 CDAA Cc1ccccc1N1CCN(CC(=O)NC2CC2)CC1 55562767 AYWLAUWEMUFFBL-UHFFFAOYSA-N 273.380 1.396 0 50 CDAA O=C(N[C@H]1CCC[C@@H]1CCO)c1ccncc1F 189153153 WROZJRBJTQLRJF-SKDRFNHKSA-N 252.289 1.502 0 50 CDAA Cc1n[nH]c(C)c1CN1CCO[C@@]2(CCOC2)C1 408278003 CHOPFONFOZIADP-ZDUSSCGKSA-N 251.330 1.018 0 50 CDAA C[C@@H](Oc1cccc(F)c1)C(=O)N(C)C[C@H]1C[C@@H](O)C1 629261585 SITQZFWFXZONJQ-WZRBSPASSA-N 281.327 1.822 0 50 CDAA CC(C)C[C@@H](C(=O)O)N1CCN(C2CCOCC2)CC1 629488293 JTWPSIJYJOPLSS-AWEZNQCLSA-N 284.400 1.282 0 50 CDAA COCCOC1CCN(CC[C@H]2CCOC2)CC1 438119382 SJYMYICBWKBZSP-ZDUSSCGKSA-N 257.374 1.540 0 50 CDAA COCC1(CNc2nc(N)ncc2C)CCCC1 91651537 NGLTVEBVGOACBW-UHFFFAOYSA-N 250.346 1.986 0 50 CDAA COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1cn[nH]c1 1260964561 PJKMPAJZMLBIHY-LBPRGKRZSA-N 293.348 1.384 0 50 CDAA NC(=O)C1CC(NC(=O)N[C@H]2CCC3(CCCC3)C2)C1 2325780711 JWQHUNPKEHZHCF-CXQJBGSLSA-N 279.384 1.662 0 50 CDAA Cc1c(CNC(=O)C(=O)NC2CC2)noc1-c1ccccc1 2325812171 NFPAQJJLRDWIAB-UHFFFAOYSA-N 299.330 1.545 0 50 CDAA O=C(O)CC1(NC(=O)c2ncc3ccccn23)CC1 909898955 PMVCAKJQHLRPDR-UHFFFAOYSA-N 259.265 1.071 0 50 CDAA CN(C[C@H]1CCc2ccccc21)c1nc(=N)nc2[nH][nH]cc1-2 2332239482 IEOVUOWZXUIQRS-LLVKDONJSA-N 294.362 1.883 0 50 CDAA Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 121458 JNMRHUJNCSQMMB-UHFFFAOYSA-N 255.324 1.526 0 50 CDAA world O=C(Cn1nnc2ccccc21)NCc1ccccc1 148720 WKNTVAQWWWRNQY-UHFFFAOYSA-N 266.304 1.748 0 50 CDAA CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=S 171152 TXUWMXQFNYDOEZ-LLVKDONJSA-N 259.334 1.426 0 50 CDAA in-vitro COC(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 205300 KCFVGPBYSHTOJY-IMTBSYHQSA-N 266.219 1.866 0 50 CDAA CS(=O)(=O)N(CC(N)=O)c1cccc2ccccc12 379291 HEEWASLQHPDAFR-UHFFFAOYSA-N 278.333 1.091 0 50 CDAA CCOc1cc(S(=O)(=O)n2ccnc2)ccc1F 1068760 BMWRSGMXXIDLDG-UHFFFAOYSA-N 270.285 1.658 0 50 CDAA Cc1nn[nH]c1C(=O)NCc1cccc2ncsc12 2356146694 QRDIJNQQRUVPQW-UHFFFAOYSA-N 273.321 1.653 0 50 CDAA CSC(C)(C)[C@H](N)C(=O)NCc1cc(C(C)C)on1 2356151380 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276.292 1.014 0 50 CDAA biogenic O=C(Nc1nnn[nH]1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100476640 NFTDHZHHFJZXBA-JWWSKVQJSA-N 281.747 1.716 0 50 CDAA COC(=O)[C@H](C)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 225408342 VMUWURLJKWYFEL-GZBFAFLISA-N 276.380 1.973 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cc[nH]n2)c1 225740507 BNEDKPUQUXSQAK-SMDDNHRTSA-N 287.319 1.366 0 50 CDAA C[C@]1(C(=O)O)[C@@H](C(=O)Nc2nccs2)[C@H]2C=C[C@H]1C2 101410432 KJNJCJKVBDUBST-NMSKTSORSA-N 278.333 1.995 0 50 CDAA O=C(O)CCn1c(-c2ccc(Cl)s2)n[nH]c1=O 65419830 WGWMAUIEJUSXBG-UHFFFAOYSA-N 273.701 1.428 0 50 CDAA C[C@H](Cc1cn(CCN2CCNC2=O)nn1)c1ccccc1 67725332 IUPZDRUCYLJSIL-CYBMUJFWSA-N 299.378 1.650 0 50 CDAA COc1cc2c(cc1-c1nc3c(cnn3C)[nH]1)OCO2 67804133 MOCKWYIEQLUQSD-UHFFFAOYSA-N 272.264 1.701 0 50 CDAA CCC(=O)N1CC[C@H](NC(=O)Cn2ccc3ccccc32)C1 136425010 DREDRSRKPCLSQS-AWEZNQCLSA-N 299.374 1.768 0 50 CDAA CCCCOCC(=O)N1CCC2(CC1)CN(C)CCN2C 67803905 WSQRZHQMOGSCJV-UHFFFAOYSA-N 297.443 1.042 0 50 CDAA COCCN1CC[C@H](c2nc(C)nn2-c2ccccn2)C1 65489547 SJFVEGXSCCUNQG-ZDUSSCGKSA-N 287.367 1.406 0 50 CDAA O=C(COC[C@H]1CCCO1)N(Cc1ccncc1)C1CC1 69294367 QJQKLORMLQZFNV-OAHLLOKOSA-N 290.363 1.768 0 50 CDAA CN(C[C@@H]1COCCO1)C(=O)c1nn(C)c2ccccc12 218882204 UVAHGTJETKMRMU-LLVKDONJSA-N 289.335 1.061 0 50 CDAA Cn1cnc(-c2noc(CCc3[nH]nc4c3CCCC4)n2)c1 32561019 WOOWXTSFEKSVJB-UHFFFAOYSA-N 298.350 1.857 0 50 CDAA C[C@@H](CO)NC(=O)NCc1ccsc1Br 252482590 DJUIGVFUFRCIBS-LURJTMIESA-N 293.186 1.691 0 50 CDAA O[C@H]1CCc2cnn(Cc3nnc4n3CCCCC4)c2C1 330341309 ZBYNCQOQEFOQJJ-LBPRGKRZSA-N 287.367 1.099 0 50 CDAA Fc1cccnc1N1CC[C@@H](Nc2cnccn2)C1 153563859 HQQRNQIOUJOKIV-SNVBAGLBSA-N 259.288 1.702 0 50 CDAA CC[C@@H](C)[C@@H](NCc1nnnn1C(C)(C)C)C(=O)OC 362189275 JKJMVDNYJDJQKF-MWLCHTKSSA-N 283.376 1.105 0 50 CDAA Cc1ccc(-c2ccnc(N[C@H](C)C(N)=O)n2)c(C)n1 71575619 LTCODELQULALFK-SNVBAGLBSA-N 271.324 1.441 0 50 CDAA Cn1cc(/C=C/c2nc3cnccc3c(=O)[nH]2)cn1 151479458 DUWNESPYIBDQIU-NSCUHMNNSA-N 253.265 1.222 0 50 CDAA O=C(NCc1ccco1)c1cc(N2CC[C@@H](O)C2)ccn1 71775910 MSSRPRWDMHYYOW-GFCCVEGCSA-N 287.319 1.176 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CCC[C@@H]1C(=O)O 236825290 JBDQKNGAVGCEOX-LLVKDONJSA-N 279.340 1.472 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cn1 333400228 NRHPDPIEOBEYQI-PTEHBNRSSA-N 288.351 1.984 0 50 CDAA Cc1cnc([C@@H](C)N2CCC[C@H](n3ccnn3)C2)o1 333418534 RGQKYYMNOYIGTR-NEPJUHHUSA-N 261.329 1.973 0 50 CDAA C[C@@H](O)CN(C)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 365836061 WJAKOWZRJZJOJB-BPLDGKMQSA-N 292.379 1.929 0 50 CDAA CN(C)c1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccn1 333964472 PBJHPLKBKWPXKN-UTUOFQBUSA-N 261.325 1.654 0 50 CDAA COc1ccc(F)c(F)c1CN(C)C[C@@H]1COCCO1 216472284 ZQYOXRXSVJBWHV-SNVBAGLBSA-N 287.306 1.821 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)O 262539596 RABUJGZKNZOGHN-MELADBBJSA-N 291.347 1.471 0 50 CDAA Cc1nc2n(c1C)CCN(C(=O)[C@@H](N)c1ccccc1)C2 376211067 ONDNGTZHEPJPFO-HNNXBMFYSA-N 284.363 1.542 0 50 CDAA COCCC[C@@H]1CCCN(C(=O)c2cnc(C)[nH]c2=O)C1 77537933 CCKVNFHQNQDWQK-LBPRGKRZSA-N 293.367 1.357 0 50 CDAA CCc1nc(CC(=O)O[C@H]2CCN(CCF)C2)cs1 170617269 DMSGASLNCYUMGF-NSHDSACASA-N 286.372 1.835 0 50 CDAA CCOc1ccc([C@@H](COC)NC(=O)[C@H]2CCOC2)cc1 241173120 KGFDWQFJLHFZKR-DZGCQCFKSA-N 293.363 1.926 0 50 CDAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccn1C 241446913 NPONFLPDJOCCJQ-SCRDCRAPSA-N 290.363 1.971 0 50 CDAA Cn1nccc1CNC(=O)Nc1cnc(C(C)(C)C)nc1 171315470 NTQOMLKAKVPAAU-UHFFFAOYSA-N 288.355 1.829 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2CC[C@H]2N)cc1 72174306 OQQDISCQSVLQAZ-OLZOCXBDSA-N 282.409 1.752 0 50 CDAA CC[C@@H]1CC[C@H](C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)O1 328639257 WUVAQHWJPBUQGV-FRRDWIJNSA-N 292.383 1.182 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cc(F)ccc1OC 220179120 MFPOXBKUGAQKPJ-TZMCWYRMSA-N 297.326 1.758 0 50 CDAA Cc1cnccc1CCNC(=O)N=c1nc[nH]n1C(C)C 521216554 ZLMQIIRZVXOIKU-UHFFFAOYSA-N 288.355 1.349 0 50 CDAA COC[C@@H](NC(=O)Cc1cccc(O)c1)c1ccccn1 220010362 VAUVKZKZXZLZLG-OAHLLOKOSA-N 286.331 1.834 0 50 CDAA N=c1nc(C2CCN(C(=O)[C@H]3CC34CC4)CC2)cc[nH]1 426362101 WYRGTFLIFOKUES-LLVKDONJSA-N 272.352 1.395 0 50 CDAA Cc1ncn(CCNC(=O)C[C@@H]2CCOC2)c1C 426486021 QMHIVXAXBUYIHW-LBPRGKRZSA-N 251.330 1.043 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCc3cncn3C2)ns1 606444261 NUGUPUXHEKKOLW-SECBINFHSA-N 262.338 1.393 0 50 CDAA O=C1C[C@H](NCC2CC2)C(=O)N1c1ccc(Cl)cc1 95630528 TVPYRVWWNFLNIB-LBPRGKRZSA-N 278.739 1.972 0 50 CDAA Cc1ccc(SCCNC(=O)[C@H]2CCCN2)cc1 237773361 ICBJPTRMSPHNCK-CYBMUJFWSA-N 264.394 1.955 0 50 CDAA Cc1ncoc1C(=O)N1CCN[C@@H](c2ccccc2)C1 97475664 SGJCXZYRBFZCPP-CYBMUJFWSA-N 271.320 1.770 0 50 CDAA CN(C)[C@H](C(=O)NC(C)(C)CO)c1ccccc1F 95352383 NHIKQYXEIMDNDN-LBPRGKRZSA-N 268.332 1.316 0 50 CDAA COCCn1cc(CN[C@]23C[C@H]2COC3(C)C)cn1 527767601 WMANYLBNUWPSOQ-GXTWGEPZSA-N 265.357 1.187 0 50 CDAA CC(C)=CCCN1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1 91586247 ATPKKUMHDHLRDZ-KRWDZBQOSA-N 293.455 1.971 0 50 CDAA OCCN(Cc1cscn1)Cc1nccs1 244874274 WXVXDHMBBVCMQE-UHFFFAOYSA-N 255.368 1.594 0 50 CDAA NCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 178719193 BQAYKDRXDYNPEB-UHFFFAOYSA-N 270.336 1.784 0 50 CDAA COC[C@@H]1CCCN1CCC(=O)NCc1cccs1 252482312 DCURHUNJFAXJMB-LBPRGKRZSA-N 282.409 1.865 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 294187692 FTUNTOJBCCBQIP-OCCSQVGLSA-N 290.363 1.583 0 50 CDAA O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H]2COC[C@H]2C1 620153329 FKQPQLQCVSVISO-QWHCGFSZSA-N 299.374 1.990 0 50 CDAA O=C(O)c1csc(CCN[C@H]2CCCSC2)n1 534630532 IJSGUMWGFZKCAK-QMMMGPOBSA-N 272.395 1.869 0 50 CDAA C[C@@H](CCNC(=O)Cc1ccsc1)N1CCN(C)CC1 534577284 SPGQYUSJYLOHQS-ZDUSSCGKSA-N 295.452 1.433 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C 297252 JNGAHXBCARGAQU-UHFFFAOYSA-N 255.339 1.324 0 50 CDAA CC(C)[C@@H](CNc1ccc(CS(C)(=O)=O)cn1)N(C)C 534664247 KUJBRJSLRHBINF-CYBMUJFWSA-N 299.440 1.624 0 50 CDAA NC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(F)ccc1Cl 299742915 JKIJWCDCOKJCCH-KOLCDFICSA-N 274.698 1.877 0 50 CDAA O=C(O)CCNC(=O)c1ccc(N2CCCC2)c(F)c1 299748206 GLEZVNCMDMRCCG-UHFFFAOYSA-N 280.299 1.630 0 50 CDAA COc1cccc(OC)c1CC(=O)N1CC[C@@H](C(=O)O)C1 269169610 HEHHNBKOBXGZRF-SNVBAGLBSA-N 293.319 1.179 0 50 CDAA CS(=O)(=O)c1cnn(-c2cccc(F)c2C=O)c1 725252450 TYVOVCOHUOSFNK-UHFFFAOYSA-N 268.269 1.227 0 50 CDAA COc1ncc(CN2CCC[C@@H](N(C)C)CC2)cn1 824852022 NRLPIHNPKKFBHO-CYBMUJFWSA-N 264.373 1.401 0 50 CDAA CCn1cnnc1CCn1cnc2cccc(OC)c2c1=O 584897851 MELZCJCMRKPLIF-UHFFFAOYSA-N 299.334 1.259 0 50 CDAA Cc1cc(CC(=O)N2CCC(Cn3ccnc3)CC2)on1 584887067 SJJKLYSISROJDQ-UHFFFAOYSA-N 288.351 1.661 0 50 CDAA Cc1cnc(N[C@H](CO)Cc2cncs2)nc1 585136762 RLYHYXFHMXNYAZ-VIFPVBQESA-N 250.327 1.257 0 50 CDAA CN(C[C@@H]1CCCN1C)C1CSCCSC1 584903002 HPOHFJYHWUNHET-NSHDSACASA-N 260.472 1.861 0 50 CDAA CCOCCC(=O)NS(=O)(=O)CC=C(Cl)Cl 585136229 XGDCXGYFMAPUQY-UHFFFAOYSA-N 290.168 1.178 0 50 CDAA O=C1CN(Cc2cnn(-c3ccccc3F)c2)CCCN1 670468134 PZNCALFPUAWHOU-UHFFFAOYSA-N 288.326 1.333 0 50 CDAA CC(C)n1nccc1C(=O)NCCSc1nncn1C 670454823 UEJQYSBBRLCIJM-UHFFFAOYSA-N 294.384 1.115 0 50 CDAA CN1CCC2(CCC1=O)CCN(CCn1cccn1)CC2 670439044 NYFNUJZTFLNYNB-UHFFFAOYSA-N 290.411 1.608 0 50 CDAA Cc1nccn1CCCNC(=O)[C@H](C)n1cccc1 670456489 AJEGTUOXUIFQMB-LBPRGKRZSA-N 260.341 1.761 0 50 CDAA Cc1cc(C)cc(CS(=O)(=O)[C@@H]2CCOC2=O)c1 685940830 WKOYORQNKQRXFO-GFCCVEGCSA-N 268.334 1.534 0 50 CDAA CC(C)c1oncc1NC(=O)CO[C@@H]1CCOC1 1353789022 MJRPCJUIZCCCMV-SECBINFHSA-N 254.286 1.542 0 50 CDAA COc1cccc(C)c1C(=O)N[C@@H]1CCCNC1=O 952988652 ODIZXJMHHBWJOD-SNVBAGLBSA-N 262.309 1.012 0 50 CDAA O=C(c1ccc2nccnc2c1)N1C[C@H]2CCN[C@H]2C1 1565527511 CTYRGQKRYYHVQR-RISCZKNCSA-N 268.320 1.064 0 50 CDAA CCc1cccnc1C(=O)NC[C@@H](C)N1CCOCC1 270911229 LWUGWZNVFHTZQF-GFCCVEGCSA-N 277.368 1.095 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)cc(O)n1 275487230 UYABAANQINEUSP-DZGCQCFKSA-N 299.330 1.751 0 50 CDAA Cn1ccc(NC(=O)NC[C@H]2CCc3nccn3C2)n1 275642985 XVUQPSWEEBWRQX-SNVBAGLBSA-N 274.328 1.001 0 50 CDAA CC(C)(C)OC(=O)N1CCn2nc(C(=O)O)cc21 95803048 XQYNMLQBVLRLNZ-UHFFFAOYSA-N 253.258 1.336 0 50 CDAA in-vitro COc1cc(C)cc(NS(=O)(=O)c2cnn(C)c2)c1C 278556856 PBAQGFCENAUZFJ-UHFFFAOYSA-N 295.364 1.846 0 50 CDAA Cc1ccc2nc(CN=c3nnc(C)c(C)[nH]3)[nH]c2c1 547503393 UCUZJDYCVAOUMV-UHFFFAOYSA-N 268.324 1.707 0 50 CDAA Cc1ccccc1CCC(=O)N=c1ccn([C@H]2CCNC2)[nH]1 548017496 IXTXBNKTYJLLQQ-HNNXBMFYSA-N 298.390 1.719 0 50 CDAA Oc1nncn1C1CCN(c2ncnc3[nH]ccc23)CC1 550346888 ZEXVDHZTBVYKQJ-UHFFFAOYSA-N 285.311 1.097 0 50 CDAA O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc[nH]n1 187808653 KMTIPFNDRSVCTB-GZMMTYOYSA-N 291.273 1.623 0 50 CDAA N[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]1c1ccc(O)nn1 638681152 DIVFPAFVBULTFZ-DMDPSCGWSA-N 290.367 1.363 0 50 CDAA C[C@H]1C(=O)NCCCN1C(=O)c1ccn(C2CCCC2)n1 188945644 KLUITAKQQNUWMP-NSHDSACASA-N 290.367 1.349 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2ncnc3[nH]ccc23)C1 643745051 NANJUPCCJANZTC-KOLCDFICSA-N 284.323 1.647 0 50 CDAA Cc1nnc(COC2CN(C(=O)[C@]3(C)CC=CCC3)C2)o1 644223842 PRACAPWAFZXQDK-OAHLLOKOSA-N 291.351 1.852 0 50 CDAA CC[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)C(=O)OC 192852851 LZLBATTXCZTKAR-FPMFFAJLSA-N 290.363 1.722 0 50 CDAA CCc1ccccc1S(=O)(=O)N(C)[C@@H]1CCNC1 193269211 KHDHDRVFYYDYGM-GFCCVEGCSA-N 268.382 1.231 0 50 CDAA C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1cccnc1 194926335 IGBOBDIGCBLERT-IUODEOHRSA-N 298.342 1.997 0 50 CDAA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@]1(C(=O)O)CC=CCC1 653308501 LZBTVRFRDXRTBA-IOASZLSFSA-N 292.379 1.493 0 50 CDAA O=C1CC[C@@H]2CN(c3ncnc4[nH]ccc34)CC[C@@H]2N1 664337813 CMECUHUPYXMDIP-KOLCDFICSA-N 271.324 1.063 0 50 CDAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1CCCc2nn[nH]c21 669102584 IOEVSFIHORRZBH-RQSQLSILSA-N 290.367 1.154 0 50 CDAA Cc1ccc2oc(N3CCOC[C@H]3CC(N)=O)nc2c1 580402831 ZQIPSILQOAVDIR-SNVBAGLBSA-N 275.308 1.217 0 50 CDAA CCNC(=O)N1CCN(c2nc(C)nc(C)c2F)CC1 676350810 LUWVLEAAILSTKF-UHFFFAOYSA-N 281.335 1.084 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1[C@H](CO)CC[C@H]1CO 585126010 LBWUSRAHMRTRPA-HPCHECBXSA-N 267.369 1.157 0 50 CDAA CCCCCOCC(=O)N1CCC[C@@H](c2n[nH]c(=N)o2)C1 585127790 JLKYJCSSXOBKHQ-LLVKDONJSA-N 296.371 1.395 0 50 CDAA CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC2COCOC2)C1 585116869 KWXCZIXDOYALKN-UKRRQHHQSA-N 298.427 1.624 0 50 CDAA Cc1cc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)ccn1 698688500 AUXAYUZTZLCXJO-MRVPVSSYSA-N 276.214 1.525 0 50 CDAA Nc1cc(=O)[nH]c(SCCOc2ccc(F)cc2)n1 16489557 NCRMQNSVDITURI-UHFFFAOYSA-N 281.312 1.662 0 50 CDAA N[C@@H]1CN(C(=O)c2nncc3ccccc23)CC12CCC2 1615555685 WQPXWGFQLCSFSY-CYBMUJFWSA-N 282.347 1.583 0 50 CDAA CCCCOCC(=O)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1615737488 SKWOCCKAOGCUDY-GJZGRUSLSA-N 292.379 1.260 0 50 CDAA CC[C@](C)(CCO)NC(=O)c1ccc2cncn2c1C 1645659618 HUIMHJUGPIMQPZ-OAHLLOKOSA-N 275.352 1.924 0 50 CDAA c1csc(NCCc2nc(C3CCOCC3)n[nH]2)n1 1646639993 RENVPEDHQGGRCB-UHFFFAOYSA-N 279.369 1.810 0 50 CDAA Cc1ocnc1C(=O)N1CCC[C@@H](C2(O)CC2)C1 1772807930 WEPSXJQAUVIXOW-SNVBAGLBSA-N 250.298 1.360 0 50 CDAA CCCO[C@H]1CCCN(C(=O)c2[nH]nnc2C)C1 1506425217 LROZEXZUSBGKFE-JTQLQIEISA-N 252.318 1.144 0 50 CDAA CC(C)OCCC(=O)N1CCC[C@H](CCC(=O)O)C1 236787231 SGPORCIYMDDUNE-GFCCVEGCSA-N 271.357 1.905 0 50 CDAA CCCCc1ncc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)[nH]1 1800408049 ALYIGKMNEPRKTQ-IMRBUKKESA-N 263.385 1.955 0 50 CDAA C[C@H](O)C1CCN(C(=O)[C@H](N)c2ccccc2)CC1 225414362 AMQDFIBDFHZQTM-SMDDNHRTSA-N 262.353 1.306 0 50 CDAA O=C(CCC(F)(F)F)N[C@@H]1CCCOC12CCNCC2 1857683366 REBUFOUUTZPJDP-SNVBAGLBSA-N 294.317 1.746 0 50 CDAA Cc1cc(C)n([C@@H](C)C(=O)NCc2ccncc2F)n1 1857693204 MSVSNSCPWFNUCC-NSHDSACASA-N 276.315 1.911 0 50 CDAA CCC[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1NC(C)=O 216253271 WRDIKOFHLIIVPY-KBPBESRZSA-N 272.352 1.694 0 50 CDAA O=C1C[C@@H](C(=O)N2CC=C(c3cccs3)CC2)CN1 117722698 HGJAZTIJFKYWJQ-LLVKDONJSA-N 276.361 1.500 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C1CC1 216280213 LYMQCQCBAMCKFY-MNOVXSKESA-N 289.335 1.081 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1C 2655732 WXVOUJHWGQVTLJ-SECBINFHSA-N 257.311 1.055 0 50 CDAA in-vitro Cc1cc(F)c(F)cc1C(=O)N1CCN(C)CC1 19566957 BHSXEIOORRMDDZ-UHFFFAOYSA-N 254.280 1.661 0 50 CDAA O=c1c(Br)ccnn1-c1ccccn1 1772718268 HDVWQFAMWPRHAF-UHFFFAOYSA-N 252.071 1.390 0 50 CDAA O=S(=O)(c1ccc(Br)o1)N1CC2(CC2)C1 334577947 FRVSBFQHXCNQBP-UHFFFAOYSA-N 292.154 1.827 0 50 CDAA O=C(c1onc2ncccc12)N1CC(c2ccccn2)C1 1775979663 NQXCTWPLNBECQS-UHFFFAOYSA-N 280.287 1.857 0 50 CDAA CCOc1cccc(OCCN2C[C@H]3C[C@@H](O)[C@H]3C2)c1 1772710631 YTEXLNDGWFLZPE-UHOFOFEASA-N 277.364 1.777 0 50 CDAA CC[C@H]1C[C@@H](O)CCN1C(=O)c1onc2ncccc12 1772702326 FXPBPFBOKVPJMZ-UWVGGRQHSA-N 275.308 1.598 0 50 CDAA O=S1(=O)C=C[C@@H]2ON=C(c3ccc(F)cc3)[C@@H]21 5063176 OCXFKTLACAMIJS-GXSJLCMTSA-N 253.254 1.239 0 50 CDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N)cc2)C1 12504618 CRYNHMDLCOBJQA-PHIMTYICSA-N 268.382 1.935 0 50 CDAA CCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 19536740 KGXHBWFPAYRTST-UHFFFAOYSA-N 294.395 1.850 0 50 CDAA Cc1cc(C(=O)NCCCC[C@H]2CCCO2)cc(=O)[nH]1 19939693 FJRBLKOMBNKQJG-ZDUSSCGKSA-N 278.352 1.762 0 50 CDAA Cc1cc(C)c(OCCOCCN2CCNCC2)c(C)c1 19944983 FNVUJNHSGKCKGE-UHFFFAOYSA-N 292.423 1.912 0 50 CDAA N[C@H]1CC[C@H](C(=O)NCCc2cccc(Cl)c2)C[C@@H]1O 1857738355 DHUMENMFJCMQQF-UBHSHLNASA-N 296.798 1.487 0 50 CDAA O=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1c[nH]c2ncccc12 225427149 DRQMTJOJGLDONN-TXEJJXNPSA-N 283.331 1.828 0 50 CDAA C[C@@H](NC(=O)CCc1ccc(C(=O)O)cc1)[C@H]1CCOC1 237578712 RMJGDEXAIWBDRF-RISCZKNCSA-N 291.347 1.859 0 50 CDAA Cc1ccc2nc3c(cc(C(=O)N(C)C)n3C)c(=O)n2c1 12421590 HYCQCSHTICEWSA-UHFFFAOYSA-N 284.319 1.196 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)c(Br)c1 12404766 COHBXPYCNSCGOQ-SNVBAGLBSA-N 297.152 1.975 0 50 CDAA in-vitro COCCOc1cccc(C(=O)N[C@H](CO)CC(C)C)c1 131867557 VWLZPASBQYVEAB-AWEZNQCLSA-N 295.379 1.849 0 50 CDAA CSCC(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 247542465 SPUDHUUAYUTWMJ-NEPJUHHUSA-N 279.361 1.676 0 50 CDAA CCOc1ccc(-n2nnc(C(=O)NC(C)C)c2N)cc1 16650044 XBVQOBIEYBMXHM-UHFFFAOYSA-N 289.339 1.386 0 50 CDAA Cc1ncc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cn1 264178576 XVYWDBBSPDRZSK-MFKMUULPSA-N 292.364 1.178 0 50 CDAA c1nc(N2CC[C@@H](CN3CCOCC3)C2)c2cc[nH]c2n1 266272835 RJRYUQNHUKKBDO-LBPRGKRZSA-N 287.367 1.116 0 50 CDAA Cc1cc(O)c(COC(=O)[C@H]2CCc3n[nH]cc3C2)nn1 802170852 LRZRUWZQLUXVQI-VIFPVBQESA-N 288.307 1.062 0 50 CDAA O=C(NCc1nc2c([nH]1)CCCC2)c1nc(C2CC2)no1 1875282856 VWMMIAMCICMTIF-UHFFFAOYSA-N 287.323 1.479 0 50 CDAA O=S(=O)(NC1(c2ncon2)CCC1)[C@H]1CC12CCC2 1875397242 RGKWDMRDSNVHMK-VIFPVBQESA-N 283.353 1.311 0 50 CDAA CC(C)(C)c1ncc(C(=O)N[C@@H]2C[C@@]3(C(=O)O)C[C@@H]23)cn1 1875313747 SOGUIRYDXXLHSD-WMFXKJRFSA-N 289.335 1.367 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cccc2nccnc12 1875333202 IDPYCQXAUIRWQR-ZZXKWVIFSA-N 271.276 1.089 0 50 CDAA C[C@@H](Cc1ccccc1F)N[C@H]1CS(=O)(=O)C1(C)C 877871972 ZKXFGNHEYHOZPS-GWCFXTLKSA-N 285.384 1.922 0 50 CDAA CO[C@H]1CCCCN(CC(=O)Nc2c(C)noc2C)C1=O 886074689 ODLRWQIHKDJONR-NSHDSACASA-N 295.339 1.257 0 50 CDAA COCc1nc(C)c(C(=O)OC[C@H]2CC(C)=NO2)s1 888099467 LHECQHHOIAZQIK-SECBINFHSA-N 284.337 1.920 0 50 CDAA CCc1cc(C(=O)N[C@@H]2CCOC23CCCC3)n[nH]1 890424100 HIVHSKRMUNLQML-GFCCVEGCSA-N 263.341 1.804 0 50 CDAA CO[C@H]1C[C@@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1 1772715974 FWFCALXGWPCREW-BDAKNGLRSA-N 259.302 1.343 0 50 CDAA CC[C@H](CCO)NCc1c(OCOC)ccc2c1OCO2 1775991772 MKSDVGBHHOESGK-LLVKDONJSA-N 297.351 1.649 0 50 CDAA O=C(O)C1(C(=O)Nc2ccc(-n3cncn3)cc2)CC1 154776530 WCBDZTDOAKGLSQ-UHFFFAOYSA-N 272.264 1.071 0 50 CDAA CC(C)c1nc(C(=O)N2CCOC[C@H]2C(=O)O)cs1 262478406 KECVOSFQLAKCEU-VIFPVBQESA-N 284.337 1.192 0 50 CDAA CCc1cnc(N)nc1N1CC[C@@H](N2CCCC2)C1 95372351 KCAGJVJPHMDVLV-GFCCVEGCSA-N 261.373 1.296 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C[C@H](O)c2ccccc2C)C1 530168252 BIIFUVALSGYQHM-ZFWWWQNUSA-N 279.336 1.204 0 50 CDAA O=C(CCCC1CCCCC1)N[C@@H]1CNC[C@H]1O 534673610 GFNVCAQMABYJOL-CHWSQXEVSA-N 254.374 1.186 0 50 CDAA CC(C)C[C@H](C(=O)O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 629484015 DYPVOHIGEDFXJI-MCIONIFRSA-N 284.400 1.017 0 50 CDAA CN(C)c1cc(C(=O)Nc2ncn(C)n2)c2ccccc2n1 356410911 CVFOJWQICKGMPI-UHFFFAOYSA-N 296.334 1.682 0 50 CDAA O=C(c1ccc2c(c1)OCO2)N1CC(F)(F)C[C@H]1CO 366695386 XXGMDBYXJHVYPP-VIFPVBQESA-N 285.246 1.257 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2ccc(O)nc2)C1 584885587 PRKPAUBNJLQLMB-LLVKDONJSA-N 264.325 1.676 0 50 CDAA CSC[C@H](C)C(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 398778765 MQXAZRYXBPWXDW-YFKTTZPYSA-N 257.399 1.605 0 50 CDAA CO[C@H]1C[C@@H](NC(=O)NCC[C@@H](N)Cc2ccccc2)C1 2325761963 OFWXHXKIKYXVLV-KFWWJZLASA-N 291.395 1.423 0 50 CDAA Cc1cn2c(n1)[C@H](C)C[C@H](C(=O)NO[C@H]1CCOC1)C2 2325792570 TYQVOYKAPBUENG-USWWRNFRSA-N 279.340 1.152 0 50 CDAA C[C@@H](ONC(=O)CN(C)c1ccc(Cl)cc1)C(=O)O 2325803073 OPEHSHYLNLURJF-MRVPVSSYSA-N 286.715 1.297 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1OC 321012 FXSUKMJRXIFFPV-UHFFFAOYSA-N 285.365 1.878 0 50 CDAA CNC(=O)c1cc2cc(Cl)cc(OC)c2oc1=O 528309 RDMLJBHZMUZXEL-UHFFFAOYSA-N 267.668 1.815 0 50 CDAA CCCN(Cc1ccn2ncnc2c1)Cc1nccn1C 2356137363 WPLASNYALIBGGG-UHFFFAOYSA-N 284.367 1.875 0 50 CDAA Cn1cnnc1SCC(=O)Nc1ccc2c(c1)OCO2 2570961 DGPUHUVAEUAMRQ-UHFFFAOYSA-N 292.320 1.275 0 50 CDAA O=C(NCCO)c1cccc(I)c1 2823876 UCBQLENACRCFAH-UHFFFAOYSA-N 291.088 1.013 0 50 CDAA C[C@H](CS(C)(=O)=O)N1CC2(COc3ccccc3C2)C1 2356168797 NYYLOKIRRXMFNU-GFCCVEGCSA-N 295.404 1.357 0 50 CDAA O=C1OCC[C@@H]1C1(O)CCN(Cc2ccccc2)CC1 4794410 LSABJPIDIAERGU-AWEZNQCLSA-N 275.348 1.577 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)Nc2nncs2)CC1=O 4975737 LDSYARHUZDNNAW-SSDOTTSWSA-N 268.342 1.124 0 50 CDAA COC[C@@H](C)N1C[C@H](C(=O)Nc2ccccc2F)CC1=O 8234817 FKYRZBWAWSAESV-GHMZBOCLSA-N 294.326 1.648 0 50 CDAA Cc1ccn(-c2ccc(N3C[C@H]4CC[C@H]3C4)nn2)n1 110606150 YXVAJNKMZNUDCX-RYUDHWBXSA-N 255.325 1.959 0 50 CDAA COCc1cc(NC(=O)N[C@@H]2CCOC(C)(C)C2)ncn1 133804845 XZCYEBBXJGMWPX-SNVBAGLBSA-N 294.355 1.702 0 50 CDAA Cc1noc(C)c1-n1c(Cc2ccccc2)n[nH]c1=O 65421750 RQGPARLYMMFCFZ-UHFFFAOYSA-N 270.292 1.756 0 50 CDAA Cc1c[nH]c(CN(C)CCn2nc3ccccc3n2)n1 20821572 SXWQKADAYPLPAU-UHFFFAOYSA-N 270.340 1.595 0 50 CDAA CC[C@H](C)n1nccc1NC(=O)C1=NNC(=O)CC1 65528094 RPTLYMBMFOWSJL-QMMMGPOBSA-N 263.301 1.059 0 50 CDAA CCOc1cc(C(=O)N2CCNC[C@H]2C)ccc1C 125183626 FKZMBZBCJKJDGB-GFCCVEGCSA-N 262.353 1.828 0 50 CDAA COc1nc(C)ccc1C(=O)N[C@]1(C)CCCOC1 330703462 PYJOEUUFRMGBFM-CQSZACIVSA-N 264.325 1.698 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCCC[C@@H]1CO 252522924 BKLOTLDCXUZYBI-TZMCWYRMSA-N 279.384 1.626 0 50 CDAA COc1cc(F)c(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1OC 217104290 ZRHRFAUVWYVDQQ-MSRIBSCDSA-N 295.310 1.605 0 50 CDAA CCOC1(C(=O)N2CCOCC3(CC3)C2)CCCC1 328586720 GDQTYXMCICJMCK-UHFFFAOYSA-N 267.369 1.975 0 50 CDAA O=C1NCC2(CCN(CCc3ccccn3)CC2)O1 31572135 VOHHDIWNVKPOJT-UHFFFAOYSA-N 261.325 1.199 0 50 CDAA COC[C@H](NC(=O)Cc1cccnc1)c1ccccn1 219912690 KHKFXVCFTOGQIK-AWEZNQCLSA-N 271.320 1.523 0 50 CDAA NC1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 123868634 JHFUALIBZQLDOT-UHFFFAOYSA-N 292.763 1.591 0 50 CDAA O=C(C[C@H]1CCCN1)Nc1ccc2c(c1)OCC(=O)N2 150913569 OKCDXOXVRQPTCC-SECBINFHSA-N 275.308 1.098 0 50 CDAA O=C(CCOC1CCOCC1)N1CCC[C@H]1c1cc[nH]n1 329817477 FIYIZKKEWPXAEB-AWEZNQCLSA-N 293.367 1.659 0 50 CDAA CC(C)(O)Cc1noc(-c2cn3ccsc3n2)n1 32577713 MMYHDSMFCYTXGG-UHFFFAOYSA-N 264.310 1.759 0 50 CDAA C[C@H](N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)NC(=O)NC1CC1 241965515 UTKXYEGSYSRHEV-DKKFBCOVSA-N 293.411 1.777 0 50 CDAA CCN1CC[C@H](CNC(=O)c2cnn3c2CCCC3)C1 126990888 BENCPGFAYPLFQB-GFCCVEGCSA-N 276.384 1.291 0 50 CDAA CN(C)c1ccnc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 171088842 MCMCGGJXBRLEAH-LBPRGKRZSA-N 299.378 1.891 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](Cc2nccn2C)C1 237004625 XXMLJLGVMBYGFU-GUTXKFCHSA-N 292.427 1.575 0 50 CDAA O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](c2ncc[nH]2)C1 75553464 NRPXQLWZTGIWIM-LLVKDONJSA-N 296.334 1.701 0 50 CDAA CO[C@H]1c2ccccc2C[C@H]1NS(=O)(=O)[C@H]1CCOC1 333922498 RLMDYGBGZFEIGC-YUTCNCBUSA-N 297.376 1.007 0 50 CDAA COc1cccc(-n2cc(CNC(=O)c3ccon3)nn2)c1 370745505 RHADVCNZEFCVIF-UHFFFAOYSA-N 299.290 1.194 0 50 CDAA CN(C)Cc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cn1 339285035 SENSTLHDVWMLPG-HNNXBMFYSA-N 290.411 1.309 0 50 CDAA C[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@@H](C)S1 335384254 JHLZSZXECBOAFT-NXEZZACHSA-N 276.365 1.695 0 50 CDAA CCO[C@H](C)c1noc(CN2CCOCC(F)(F)C2)n1 377486677 BBCUFNFZJDKUBT-SECBINFHSA-N 291.298 1.635 0 50 CDAA COCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218974686 DNJNVGXTZZWFOD-ZIAGYGMSSA-N 279.336 1.123 0 50 CDAA CN(CCc1cnn(C)c1)C(=O)c1ncc(F)cc1F 216455714 HCLNHAWBYYDFLG-UHFFFAOYSA-N 280.278 1.408 0 50 CDAA N=C(N)NCCCOc1ccccc1Br 71611479 LTRLQINXJOICIB-UHFFFAOYSA-N 272.146 1.701 0 50 CDAA CCN(C(=O)c1cc2ccccc2cc1O)[C@H]1CCNC1=O 281663097 CAVQJLDBKZYSMJ-AWEZNQCLSA-N 298.342 1.896 0 50 CDAA CC[C@@H](NC(=O)CN(C)Cc1ccncc1)C1CC(O)C1 223191669 BDXVGYRYTQWPOF-YMAMQOFZSA-N 291.395 1.179 0 50 CDAA O=C(O)Cc1ccc(NC(=O)[C@H]2CCOC2)cc1F 263202323 MNTAVDAKSUNJAA-VIFPVBQESA-N 267.256 1.428 0 50 CDAA COc1ccc([C@@H](NC(=O)[C@H]2CC23CC3)C(=O)O)cc1 263260279 UQVZNNHUNNKERY-VXGBXAGGSA-N 275.304 1.737 0 50 CDAA CS[C@H](CO)[C@@H](C)NCc1ccc2nc[nH]c2c1 610090137 OVCRHIKKERMCKF-NOZJJQNGSA-N 265.382 1.765 0 50 CDAA Cc1ccc(F)cc1CNC(=O)N(C)C[C@@H]1COCCO1 426641323 FLTFVRFYSMFIQR-CQSZACIVSA-N 296.342 1.691 0 50 CDAA CC(C)c1nccc(C(=O)NCc2nccn2C)n1 426613621 KWOAXNXBULILIH-UHFFFAOYSA-N 259.313 1.264 0 50 CDAA Cc1cnc(C)c(Sc2nnc(CN)n2CC(C)C)n1 426545434 RAYPXYPLVHZLNL-UHFFFAOYSA-N 292.412 1.951 0 50 CDAA C[C@@H](N)C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 237462995 IFTCLXMQGDLNJC-XBFCOCLRSA-N 262.353 1.618 0 50 CDAA O=C1CC[C@@]2(CCOC2)CN1CCCOc1cccnc1 91651271 QDCQISUOPPUPEY-MRXNPFEDSA-N 290.363 1.880 0 50 CDAA c1ccc(-n2nnnc2N2CCC[C@]3(CCOC3)C2)cc1 95374516 GNSWBSFBSWADNU-HNNXBMFYSA-N 285.351 1.669 0 50 CDAA COc1cc(I)cnc1N 96029247 KUKURBRYYYGXFF-UHFFFAOYSA-N 250.039 1.277 0 50 CDAA COc1ccccc1S(=O)(=O)N1CC(C)(C)[C@@](C)(O)C1 91794068 WQBLZEIPISTRRX-AWEZNQCLSA-N 299.392 1.477 0 50 CDAA CC(C)Cn1cncc1Cn1cc(-c2nccn2C)nn1 91892559 FNMLVSRVCXEDPN-UHFFFAOYSA-N 285.355 1.579 0 50 CDAA N[C@H]1CN(Cc2ccc(OCC(=O)O)cc2)C[C@@H]1C1CC1 91644273 FYTOTACWXJJOAA-CABCVRRESA-N 290.363 1.319 0 50 CDAA C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CC[C@@H](C(=O)O)C1 237362372 DBTJPJMRPNEMDG-XQHKEYJVSA-N 283.368 1.903 0 50 CDAA COc1ccc(-c2c(C)nn(CC(N)=O)c2C)c(OC)n1 96137454 QHFSWSPSRBAKSM-UHFFFAOYSA-N 290.323 1.064 0 50 CDAA CCN1CCC(C(=O)NC(C)(C)c2nnc(N)s2)CC1 97527900 KDKVFYLMXGVPCN-UHFFFAOYSA-N 297.428 1.204 0 50 CDAA CCN(Cc1cnn(CC)c1)C(=O)CN1C(=O)CC[C@H]1C 95502049 KZVKPWNOPMFGIA-GFCCVEGCSA-N 292.383 1.262 0 50 CDAA CC[C@@]1(CO)CCCN(c2cncc(N(C)C)n2)C1 91535716 LLJKYCOCMOOCFA-CQSZACIVSA-N 264.373 1.532 0 50 CDAA CCOC(=O)[C@@H]1CN(C)C[C@H]1C(=O)c1ccccc1 248322579 WQKWIFSBDCEQNX-CHWSQXEVSA-N 261.321 1.610 0 50 CDAA Cc1n[nH]c(CN(C)C[C@H]2CC(=O)N(C3CCCC3)C2)n1 244673648 HTHCTSOHNRBGHB-GFCCVEGCSA-N 291.399 1.336 0 50 CDAA O=C(Cc1ccccn1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 240662495 PLQOTPJJKVCCPP-HACGYAERSA-N 297.358 1.648 0 50 CDAA Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)cn1 247279733 FVQRLRPNDADOAC-KGLIPLIRSA-N 288.395 1.861 0 50 CDAA COCc1nn(C)cc1C(=O)N1CCCCCCC1 294283237 DUUWLRSSKJXMEB-UHFFFAOYSA-N 265.357 1.973 0 50 CDAA O=C(c1cncc(O)c1)N1CC[C@@H](O)C12CCCC2 294311426 VGUCDGHRYLZBNL-GFCCVEGCSA-N 262.309 1.307 0 50 CDAA Cc1c(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cnn1C 438886896 YGMOFQPNNKPBIY-ZDUSSCGKSA-N 297.362 1.718 0 50 CDAA Cc1ccc(C(=O)N2CCN(c3cnn(C)c3)CC2)nc1C 298123729 NAWATFQHGZXSHZ-UHFFFAOYSA-N 299.378 1.394 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)CNC[C@H]2CCCO2)C1(C)C 299739933 TVIRZGJINSTGHT-HZSPNIEDSA-N 298.427 1.417 0 50 CDAA Cc1nc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)oc1C 299739684 AABIGZKMCHNPNA-RKDXNWHRSA-N 291.273 1.387 0 50 CDAA NCC1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 534579054 HCSBYOGVEVHERP-UHFFFAOYSA-N 271.364 1.699 0 50 CDAA Cc1c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)ccn1C 617343420 SKEDHSWNRWTLQR-GFCCVEGCSA-N 263.385 1.936 0 50 CDAA CSCC[C@H](C(=O)Nc1nc[nH]n1)n1cccc1 263586950 ACRGIZRMLBGUIC-SECBINFHSA-N 265.342 1.539 0 50 CDAA CCOC(=O)c1cnc(I)o1 116468401 LFEBWNPUCYNPOE-UHFFFAOYSA-N 267.022 1.456 0 50 CDAA COc1ccc(C[C@]2(CCC(=O)O)CCC(=O)N2)c(F)c1 299757670 MERFUYVLUZBDKV-OAHLLOKOSA-N 295.310 1.890 0 50 CDAA CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1cccc2ccccc12 299788940 VOTRCZXVFICJPM-RDJZCZTQSA-N 297.402 1.878 0 50 CDAA Cc1cc(C)n(CCN(C)Cc2nc(C)c(C)[nH]2)n1 299772477 ZBDNYHYTSMXKRF-UHFFFAOYSA-N 261.373 1.972 0 50 CDAA O=C(NCCn1cnnc1)C1CCN(C2CCCC2)CC1 299777366 PWEUZGYYIWICFG-UHFFFAOYSA-N 291.399 1.049 0 50 CDAA Cn1cccc(C(=O)Nc2ccnn2C2CCCC2)c1=O 729246130 PGYVIJWJWGGAQS-UHFFFAOYSA-N 286.335 1.949 0 50 CDAA CCSC[C@H](C)N1CCC(O)(CN(C)C)CC1 823421478 SHKUPGXFUOCFFT-LBPRGKRZSA-N 260.447 1.517 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1cccc(N)n1 827573323 GZDVPMSDIQTLSR-SECBINFHSA-N 274.328 1.327 0 50 CDAA CCN(C)C1(CNC(=O)CCN2CCCC2)CCCC1 823067850 OEGQEYCJGLUDRF-UHFFFAOYSA-N 281.444 1.853 0 50 CDAA CNc1ncccc1C(=O)NCc1nncn1C(C)C 584898257 ZJVNXDLJTXSQEY-UHFFFAOYSA-N 274.328 1.226 0 50 CDAA CC1(C)[C@H]2CC=C(CCNC(=O)CCn3cnnn3)[C@@H]1C2 584898830 GCJPAAPAUFMTDG-STQMWFEESA-N 289.383 1.562 0 50 CDAA CCC1(CC)CN([C@@H]2CCNC(=O)CC2)CCO1 670436524 ZFNQGVCDUSOUEJ-LBPRGKRZSA-N 254.374 1.546 0 50 CDAA O=C(O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)o1 238030131 XWLYUXLXLLHNGZ-BBBLOLIVSA-N 279.292 1.665 0 50 CDAA O=S(=O)(C[C@@H]1CCCCO1)Nc1cc(O)cc(F)c1 131426360 PYIJDTRKHXJJPQ-LBPRGKRZSA-N 289.328 1.842 0 50 CDAA Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)c1 131788619 HXWLYPWPIUOXIH-WDEREUQCSA-N 286.372 1.634 0 50 CDAA Cc1nonc1CN1CC[C@](O)(C2CCC2)[C@@H](C)C1 1565528702 YKMLCSGWXHXQNH-IINYFYTJSA-N 265.357 1.751 0 50 CDAA O=C(O)[C@@H](C1CC1)n1nc(-c2cccs2)oc1=O 630380379 CNKYICLXAYDCOV-MRVPVSSYSA-N 266.278 1.601 0 50 CDAA CC(C)(C)OC(=O)N1CCO[C@]2(CC[C@H](C(=O)O)C2)C1 91303341 LPLQXAWIGJNCNI-HZMBPMFUSA-N 285.340 1.877 0 50 CDAA in-vitro C[C@@]1(O)CCN(c2cc(C(F)(F)F)ccn2)C[C@@H]1O 96138601 VKHJFRNPCRDROC-GXSJLCMTSA-N 276.258 1.422 0 50 CDAA C[C@@H]1CN(CCOc2ccccc2CO)C[C@@H](C)O1 16488316 BEKYMZJUIICCMS-CHWSQXEVSA-N 265.353 1.667 0 50 CDAA CCOCCCC(=O)N1CC(C)(C)CC[C@@H]1CO 685945051 QRXXDBFCJUGRKI-GFCCVEGCSA-N 257.374 1.813 0 50 CDAA CC[C@@H]1C[C@H](CC(=O)N[C@@H]2C[C@H](O)C2(C)C)CCO1 408377409 WTQUHLLUOKTVNJ-LPWJVIDDSA-N 269.385 1.857 0 50 CDAA Cc1cc2c(N3CCO[C@]4(CCOC4)C3)nccn2n1 274765356 LAXNBKHGTACKHU-CQSZACIVSA-N 274.324 1.033 0 50 CDAA CCc1ocnc1C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C 275469501 RBWTZJJHLMCLNV-NSHDSACASA-N 295.383 1.154 0 50 CDAA CN(C)C/C=C/C(=O)N1CCC2(CC1)OCC(C)(C)CO2 170634412 FKKQOCNIFNFJFQ-AATRIKPKSA-N 296.411 1.496 0 50 CDAA CCn1cc(C2=NN([C@@H]3CCOC3(C)C)C(=O)C2)cn1 634631848 DJZGTGVSVBXBGX-GFCCVEGCSA-N 276.340 1.407 0 50 CDAA C[C@@H](O)[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccoc2)C1 583974347 WNHCVOVGXMFNPQ-MNOVXSKESA-N 289.335 1.903 0 50 CDAA O=C(Nc1ccc(-n2nn[nH]c2=O)cc1)C1CCCC1 188790841 PVFOSCFNLQVZLU-UHFFFAOYSA-N 273.296 1.084 0 50 CDAA C[C@@H](N)c1ccc(NC(=O)COCc2ccnn2C)cc1 578979579 JZJRRBSAKBOPKD-LLVKDONJSA-N 288.351 1.595 0 50 CDAA Cn1cncc1CCNC(=O)c1c[nH]nc1C(C)(C)C 556719910 YOZJZUDATRVMBB-UHFFFAOYSA-N 275.356 1.413 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@H](C(N)=O)C2)C1 584907100 PQTKIJUOLFCAEZ-RYUDHWBXSA-N 297.399 1.051 0 50 CDAA O=C(NCCc1ccccn1)c1n[nH]cc1C(F)(F)F 585121940 GUQAIGXTEAVKDQ-UHFFFAOYSA-N 284.241 1.796 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H]1CCCOc2ccccc21 585141552 WZGVVOZMLBBVAR-ZDUSSCGKSA-N 288.347 1.661 0 50 CDAA CSC[C@H](C)C(=O)Nc1cc(CCO)ccn1 580783531 JDUGAGQZRTXZOT-VIFPVBQESA-N 254.355 1.554 0 50 CDAA O=C(c1cccc2ccncc12)N1C[C@@H](F)C[C@H]1CO 648872355 XODJFTMXWDTMFW-RYUDHWBXSA-N 274.295 1.780 0 50 CDAA C[C@@H]1SC(NC(=O)COc2ccccc2)=NC1=O 17028989 WHUJJIXJIJPSLT-QMMMGPOBSA-N 264.306 1.200 0 50 CDAA Oc1ccc2c(c1)C1(CC1)CN(c1ccc3nnnn3n1)C2 564806631 SRLAKGOXKGSNLN-UHFFFAOYSA-N 294.318 1.277 0 50 CDAA CO[C@H]1CNC[C@@H]1NC(=O)c1ccc(Cl)c(F)c1 195554067 ZWSXYRZJTSTVLH-QWRGUYRKSA-N 272.707 1.196 0 50 CDAA COc1cc(NC(=O)N[C@@H](CO)C(C)(C)C)sn1 1615588044 WSVCPXYBQCNCAS-ZETCQYMHSA-N 273.358 1.680 0 50 CDAA CO[C@H](C)CS(=O)(=O)Nc1cc(O)ccc1F 1615553885 ZVYWWMJZAKSFAZ-SSDOTTSWSA-N 263.290 1.308 0 50 CDAA CCOC1CC(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)C1 1615606277 YDNRIHCVPPOIKY-BBNOBNGHSA-N 274.364 1.542 0 50 CDAA Cc1ccc2cc(CN3C[C@H](O)[C@@H](F)C3)c(O)nc2c1 1615708030 XMCKWIRHOBUHID-JSGCOSHPSA-N 276.311 1.763 0 50 CDAA Cn1ccnc(NC(=O)NC2([C@@H]3CCCO3)CCC2)c1=O 1649259599 AAJCGOWPAQQSGQ-JTQLQIEISA-N 292.339 1.004 0 50 CDAA Oc1ccc([C@H](O)CN=c2[nH]cnc3[nH]ccc23)cc1 1875279492 OTTOZKSZHPKBCF-GFCCVEGCSA-N 270.292 1.231 0 50 CDAA COc1ccc(OC)c(NC(=O)N2CCOCC2)c1 397235 PCBSUCBTYWRMNH-UHFFFAOYSA-N 266.297 1.568 0 50 CDAA O=C(O)Cc1cccc(-c2cnc3nncn3c2)c1 1875250879 NXISJPIMTQJEDV-UHFFFAOYSA-N 254.249 1.418 0 50 CDAA Cn1cccc1C(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529192648 ZUNWOESTMGDMTC-ZIAGYGMSSA-N 285.347 1.408 0 50 CDAA CCC[C@H]1COC[C@H]2CN(Cc3c(C)noc3C)CCN12 1529102009 UEOMXOFJGCBLJU-LSDHHAIUSA-N 293.411 1.977 0 50 CDAA CCCn1nc(C)c(NC(=O)[C@@H](C)N2CCCC2=O)c1C 1529107063 WAPLAQGRKVTHNY-GFCCVEGCSA-N 292.383 1.859 0 50 CDAA CN(C)c1nccnc1NCCCc1ccccn1 1704339486 IQHJPJUUWWOJMC-UHFFFAOYSA-N 257.341 1.982 0 50 CDAA C[C@H]1CC[C@H](C(=O)NCc2nc(C(=O)O)cs2)O1 157955364 VHQJSCYMUKXHDU-POYBYMJQSA-N 270.310 1.025 0 50 CDAA O=C(NCc1cccn2nccc12)[C@H]1CC2CCN1CC2 1775983461 YEPOZACZPQMMBT-OAHLLOKOSA-N 284.363 1.435 0 50 CDAA Cc1cccnc1CN(C)C[C@@H]1CCC(=O)N(C)C1 1772815341 GZBZYYMFDPKZII-ZDUSSCGKSA-N 261.369 1.690 0 50 CDAA OC[C@]12CNC[C@@H]1CN(C1CC3(CCCCC3)C1)C2 1772711465 YZVUTMBLYXAVPR-CZUORRHYSA-N 264.413 1.613 0 50 CDAA CNC(=O)[C@H](Nc1ncc(F)c(OC)n1)c1ccccc1 1772709793 NLRRMNTXQYMPSN-LLVKDONJSA-N 290.298 1.524 0 50 CDAA CC[C@@]12C[C@H]1CN(C(=O)c1ccc(-n3cnnn3)cc1)C2 1772817739 IGDTZKJEHRLWOX-WFASDCNBSA-N 283.335 1.534 0 50 CDAA O=C(O)c1ccccc1OCC(=O)N1CCCCC1 13035108 ZRQBRCPTSGVJRI-UHFFFAOYSA-N 263.293 1.776 0 50 CDAA COc1ccc2[nH]c3c(c2c1)CCN[C@@]3(NC#N)SC 19819529 AALIVZUOTBJNAV-AWEZNQCLSA-N 288.376 1.866 0 50 CDAA biogenic Cc1ccc(OCC(=O)NCCN2CCOCC2)c(C)c1 19972657 LGRQCKJOMGZMIM-UHFFFAOYSA-N 292.379 1.131 0 50 CDAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)C1(COC)CCC1 1857670420 MREVQIFINYAOAO-GUTXKFCHSA-N 281.396 1.955 0 50 CDAA O=C1C[C@H]2CN(Cc3cc(-c4ccncc4)no3)C[C@H]2N1 1857667813 SBOVPRAASHJQNF-SMDDNHRTSA-N 284.319 1.057 0 50 CDAA CCn1ncnc1-c1nccn1-c1ccc2c(c1)nnn2C 1857686371 SPJHPIPQJQIQCT-UHFFFAOYSA-N 294.322 1.432 0 50 CDAA 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1.232 0 50 CDAA COCCCn1cnnc1CNc1nccc(C)n1 95354141 JZOZEXUKLDDNLF-UHFFFAOYSA-N 262.317 1.025 0 50 CDAA Cc1ccc(-c2ocnc2C(=O)N2CC[C@H](N)C2)cc1 237697991 AYAMIQYDPNZMMM-LBPRGKRZSA-N 271.320 1.823 0 50 CDAA CCCc1csc(NC(=O)N[C@H]2CCCCNC2=O)n1 180665611 VHNFQEWQQBODQK-JTQLQIEISA-N 296.396 1.886 0 50 CDAA Cc1nsc(C)c1C(=O)N[C@H]1CCCn2ncnc21 294965346 MRUNJKVLVPCGDI-VIFPVBQESA-N 277.353 1.616 0 50 CDAA CC(C)c1nccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)n1 91440545 XHTYCEAONPFIPR-NEPJUHHUSA-N 274.368 1.409 0 50 CDAA CN(C)C(=O)[C@@H]1CCCN1C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 248670976 STXLPEKZRUMZQA-FQUUOJAGSA-N 278.396 1.892 0 50 CDAA CC(C)[C@]12CCC[C@H]1[C@H]1C=C[C@H]2n2c(=O)n(C)c(=O)n21 248068672 WVIPTVFZOMYAPM-FUTJPDQTSA-N 275.352 1.457 0 50 CDAA Cc1n[nH]c(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)n1 244673649 HTHCTSOHNRBGHB-LBPRGKRZSA-N 291.399 1.336 0 50 CDAA CC(=O)Nc1cc(C(=O)NCC2(C(=O)O)CC2)ccc1F 621571603 GJIZGIFLHRXBRO-UHFFFAOYSA-N 294.282 1.379 0 50 CDAA Cc1nc2ncn(CC3CCCCC3)n2c(=O)c1CCO 622021020 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Cc1nc([C@@H]2CCCCN2c2nccn3cnnc23)n[nH]1 408469783 RAROWQLUCNWXRU-JTQLQIEISA-N 284.327 1.282 0 50 CDAA COc1cccc(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)c1 408520413 COLYCJDNCLMHDE-GASCZTMLSA-N 290.363 1.288 0 50 CDAA O=C(NCC1(C(=O)O)CC1)c1ccncc1Br 395847121 RESHZJJRXLONSW-UHFFFAOYSA-N 299.124 1.439 0 50 CDAA CCc1ncsc1C(=O)NC[C@H]1CCc2nccn2C1 275471178 XZPDBDPTLMRPFC-SNVBAGLBSA-N 290.392 1.894 0 50 CDAA O=C(O)[C@H](C1CC1)n1nc(-c2cccs2)oc1=O 630380380 CNKYICLXAYDCOV-QMMMGPOBSA-N 266.278 1.601 0 50 CDAA C[C@H]1C[C@H](O)CN1C(=O)c1ccn(-c2cccc(F)c2)n1 170089348 DFFZAELOEFCIIA-GWCFXTLKSA-N 289.310 1.607 0 50 CDAA CN(C[C@H]1CCCCO1)C(=O)C1CCN(C2CC2)CC1 170615880 NBCVPYCCRVYTSI-OAHLLOKOSA-N 280.412 1.888 0 50 CDAA N=c1ccc(C(=O)Nc2ccc(N3CCCC3)cn2)c[nH]1 638066572 KISSZYRZZBLEOD-UHFFFAOYSA-N 283.335 1.742 0 50 CDAA O=C(O)c1ccccc1OCCN1CCOC[C@@H]1C1CC1 582790994 MXFQLFMBOATJEA-CQSZACIVSA-N 291.347 1.874 0 50 CDAA C/C(=C\C(=O)N1CCO[C@H](C(=O)O)C1)c1ccc(F)cc1 584908045 AIIUVDPYRPCEFX-FROQITRMSA-N 293.294 1.541 0 50 CDAA COC[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 192926470 CEDNGKGOEAOBCK-JTQLQIEISA-N 263.746 1.577 0 50 CDAA C[C@@](CNC(=O)[C@@H]1CCCO1)(C(=O)O)c1ccccc1 193062342 KOFGXSIJJOZJGE-WFASDCNBSA-N 277.320 1.324 0 50 CDAA COc1nscc1[C@@H](C)NC[C@@H](O)CN1CCCCC1 1615551041 NVBRUTXCTPNNSK-VXGBXAGGSA-N 299.440 1.649 0 50 CDAA C[C@H](CO)N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 1616034810 NWUACRPPDHZLFP-VOAKCMCISA-N 284.400 1.745 0 50 CDAA CC1(C)C[C@@H]1C(=O)Nc1ccc2oc(C(N)=O)nc2c1 1646201485 MDSRDDMFRRLVGU-MRVPVSSYSA-N 273.292 1.911 0 50 CDAA CC1(C)C[C@H](NC(=O)c2cccc(C(=O)O)n2)CCO1 215408142 MJXCIOPTDHNJHA-SECBINFHSA-N 278.308 1.467 0 50 CDAA COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1C 72258 MMRNXMGIVODBOI-RMKNXTFCSA-N 262.265 1.193 0 50 CDAA Nc1nc(NCc2n[nH]c3c2CCCCC3)c2ncnc-2[nH]1 1529145474 LHPBQQGRQXKMKS-UHFFFAOYSA-N 298.354 1.491 0 50 CDAA O=C(N[C@H]1C=CCC1)C1(N2CCOCC2)CCCCC1 1857687212 RHHWLWWVEUHKBC-AWEZNQCLSA-N 278.396 1.856 0 50 CDAA CCCSCC(=O)N(CCN(C)C)Cc1cnc[nH]1 1704337518 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1857529147 CIUZAAYWQMAWTP-LBPRGKRZSA-N 277.368 1.323 0 50 CDAA CN1C(=O)NCC12CN(C(=O)C[C@H]1CCc3ccccc31)C2 1857679103 WYJHRMOOGPVLJK-CYBMUJFWSA-N 299.374 1.343 0 50 CDAA COc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=NNN32)c1 71600 JYTMZKCHOQMQJC-LLVKDONJSA-N 286.295 1.053 0 50 CDAA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCc1cccn1C 408473570 ZDJBKIBPERXRBJ-UKRRQHHQSA-N 298.390 1.809 0 50 CDAA COC(C)(C)C(=O)Nc1cccc(OCC(=O)O)c1 225461401 JRPOLKCKILFCLA-UHFFFAOYSA-N 267.281 1.514 0 50 CDAA Cn1nccc1-c1ccccc1CN1CC[C@@](C)(C(N)=O)C1 560509363 DWLYAKDNMRNXCE-QGZVFWFLSA-N 298.390 1.784 0 50 CDAA O=C1CCCN1C[C@@H](O)CN1Cc2cccc(Cl)c2C1 370094471 YEYCMDUFGFYNAB-LBPRGKRZSA-N 294.782 1.639 0 50 CDAA COc1ccccc1OCCC(=O)N1CCC[C@H](N)C1 157934632 HMXHLZLZSQHOED-LBPRGKRZSA-N 278.352 1.414 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)c2cccc(C(=O)O)c2)n[nH]1 263383295 CCRJWTSHUDDXPE-VIFPVBQESA-N 287.319 1.777 0 50 CDAA CC[C@H](COC)NC(=O)N[C@H]1c2ccccc2C[C@H]1O 265793857 MJHFDUXDUXNNFQ-BNOWGMLFSA-N 278.352 1.369 0 50 CDAA 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CCCC1(O)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875298089 NZELHMKVFYVVKW-VHSXEESVSA-N 293.367 1.419 0 50 CDAA CCc1ncc(CNC(=O)Nc2cc(C)no2)o1 1875265755 OMSFHQDZWWHDBA-UHFFFAOYSA-N 250.258 1.855 0 50 CDAA O=C(NC[C@@H]1C[C@@H]2CCCC[C@H]2O1)[C@H]1CCCO1 1875297956 JQLPRNDQLWVZOS-WUHRBBMRSA-N 253.342 1.629 0 50 CDAA CCOc1ccc(-c2cn(C[C@@H](C)NC(C)=O)nn2)cn1 1875323306 DOIXDTRYOJUMAK-SNVBAGLBSA-N 289.339 1.263 0 50 CDAA CC1(c2cccc(S(=O)(=O)N3CCNCC3)c2)CC1 1875304857 XQJCQJYNZLTKCC-UHFFFAOYSA-N 280.393 1.332 0 50 CDAA Cc1ccc([C@@H]2C[C@@H]2C(=O)NS(C)(=O)=O)cc1C 1875390939 FRHQRZBDJBKPSG-RYUDHWBXSA-N 267.350 1.483 0 50 CDAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1cc[nH]n1 1875318523 QSXBPGKXUMWFQJ-LBPRGKRZSA-N 277.349 1.684 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC[C@@]12CCOC(C)(C)C2 1875380358 MKFGHHDUBXZWEB-HNNXBMFYSA-N 280.368 1.191 0 50 CDAA CC(C)CN(CC(C)C)C[C@@H](O)C[C@@H]1CC(=O)N1 1875375788 IJEZOROFZVCKIB-OLZOCXBDSA-N 256.390 1.240 0 50 CDAA CCc1c(C(=O)N[C@]2(c3ncc[nH]3)CCOC2)ccn1C 886096619 MMDXWVGZTLUTKB-OAHLLOKOSA-N 288.351 1.356 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)ccc1Cl 135575778 AUWQMLWXDYWPIX-PWSUYJOCSA-N 283.755 1.870 0 50 CDAA CCOc1ccccc1C(=O)NCCCN1CCOCC1 20149539 YZBWJKXWVHZMER-UHFFFAOYSA-N 292.379 1.537 0 50 CDAA Cc1[nH]cnc1CN1CCN(C(=O)C2CCC2)CC1 252509489 YOQJELZEJHJABF-UHFFFAOYSA-N 262.357 1.162 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1nc(C(F)(F)F)cs1 268885470 BZFNQDFKNBEZFY-UHNVWZDZSA-N 294.254 1.499 0 50 CDAA C[C@@H](O)C[C@@H]1CCCCN1C(=O)CCn1ccnc1 279883861 UEZLRANKMKSDOO-OLZOCXBDSA-N 265.357 1.425 0 50 CDAA COc1ccc(NC(=O)N2CCC[C@H](N)C2)c(C)c1 299802816 QKEDCCVWDNGXOD-NSHDSACASA-N 263.341 1.959 0 50 CDAA CN(Cc1ncnn1C)[C@H](C(=O)O)c1ccccc1 707292439 KQOXAZZXKHNSEG-LBPRGKRZSA-N 260.297 1.073 0 50 CDAA Cc1nc(C)n(C[C@H]2CCCN2Cc2ccnn2C)n1 371411283 XAERBDPZKYOADF-CQSZACIVSA-N 274.372 1.293 0 50 CDAA CN(C)C(=O)N1CCN([C@H]2CCC(C)(C)C2)CC1 1258602171 IWQHEPJAIDFZHS-LBPRGKRZSA-N 253.390 1.864 0 50 CDAA Cc1cc(N2CCN(Cc3cocn3)CC2)nc(C)n1 1141129341 ANLCNPUXYYDJCX-UHFFFAOYSA-N 273.340 1.404 0 50 CDAA O=C(O)CN1C(=O)COc2c(Cl)cc(Cl)cc21 8391944 PFTPQAWTJJESOE-UHFFFAOYSA-N 276.075 1.803 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccccc1CNC1CC1 200333764 YFPHDPMSSNUDOY-UHFFFAOYSA-N 291.200 1.192 0 50 CDAA Cc1nnc2n1C[C@@H](C(=O)N[C@H]1CCCC13CC3)C2 2325781002 BFKRWOATMKXLDG-QWRGUYRKSA-N 260.341 1.208 0 50 CDAA CC12CN3CC(C)(CN(C1)C(=O)c1ccccc1C3=O)C2=O 267094 WBNSAIACXDIXGW-UHFFFAOYSA-N 298.342 1.194 0 50 CDAA CC(=O)Oc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1 285191 DBOUWFUQOQNHSK-UHFFFAOYSA-N 296.282 1.995 0 50 CDAA CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O 469862 SKDVJOKMILDXFD-UHFFFAOYSA-N 287.300 1.621 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)NCc2ccco2)c1 613071 WGFFBVJRQFLJBY-UHFFFAOYSA-N 281.289 1.456 0 50 CDAA Cc1ccc(C(=O)O)cc1NC(=O)c1cnn(C)c1 2536605 LLFRVXXOJTWAJD-UHFFFAOYSA-N 259.265 1.679 0 50 CDAA O=C(c1ccc(Br)s1)N1CCOCC1 4750557 DLZHLXIVJRTLGF-UHFFFAOYSA-N 276.155 1.983 0 50 CDAA COc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1C 6667530 KMVYGYZLCYJKNI-CYBMUJFWSA-N 262.353 1.701 0 50 CDAA Cc1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)nn1C 6770173 QRFPHPXNHSPQJD-UHFFFAOYSA-N 287.319 1.729 0 50 CDAA Cc1cc(Cn2cc(Br)ccc2=O)no1 8186308 ZGHDUVVDECKTGK-UHFFFAOYSA-N 269.098 1.956 0 50 CDAA CCc1ccc(C(=O)CSc2nc(N)cc(=O)[nH]2)cc1 9056643 JBNSDLAKSLZTQR-UHFFFAOYSA-N 289.360 1.890 0 50 CDAA CCCc1noc(CN(C)C[C@@H]2C[C@H](OC)CN2C)n1 345141052 ASLMTOHRAKXYSI-RYUDHWBXSA-N 282.388 1.173 0 50 CDAA CCNc1ccnc(NCCc2nncn2CC)n1 65423407 CQRRJPKWXGQLGD-UHFFFAOYSA-N 261.333 1.174 0 50 CDAA O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)c1cccc2cnccc12 65399131 WFEFUHFTWBLDGP-OLZOCXBDSA-N 295.342 1.728 0 50 CDAA C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)CC[C@H]1CCCO1 300137782 JEHUANRAPDEVCE-IJLUTSLNSA-N 269.341 1.657 0 50 CDAA CNC(=O)C[C@@H](C)N(C)Cc1ccc(-n2ccnc2)cc1 67921524 FKUSNXIHZLETHW-CYBMUJFWSA-N 286.379 1.829 0 50 CDAA CCc1nc(C)cc(NCCNC(=O)c2cccnc2)n1 65466457 RSHZQIHKJXDYCO-UHFFFAOYSA-N 285.351 1.584 0 50 CDAA CN1CC[C@H](N(C)C(=O)c2cnc3c(c2)CCCC3)C1 215552614 DQYKRWGHOZSKMS-AWEZNQCLSA-N 273.380 1.737 0 50 CDAA Cn1ncn(Cc2cc(-c3ccccc3)on2)c1=O 352420402 CCWJNHOVVCRBMR-UHFFFAOYSA-N 256.265 1.285 0 50 CDAA C[C@@H]1C(=O)OC[C@H]1C(=O)N1CCC[C@@H](CN2CCCC2)C1 20727277 RADYVFJDGDWEBN-MELADBBJSA-N 294.395 1.130 0 50 CDAA COC1(C(=O)O)CCN(C(=O)N2CCCCCCC2)CC1 314886690 RIBQNAVNDSPHDL-UHFFFAOYSA-N 298.383 1.938 0 50 CDAA C[C@H](NC(=O)CCc1cccs1)c1nnnn1C1CC1 252478714 ASYJDLADMDLESL-VIFPVBQESA-N 291.380 1.880 0 50 CDAA CC(C)[C@@H]1OCCC[C@H]1CNC1=NCCCCN1 521396965 WVUSBDGPCVXKRL-STQMWFEESA-N 253.390 1.767 0 50 CDAA CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]2COCCO2)C1(C)C 252517402 HQWXAQVHPLTNPI-YNEHKIRRSA-N 267.369 1.756 0 50 CDAA CNC(=O)c1cccc(S(=O)(=O)Nc2cccnc2)c1 33359663 BKXMIUGEMIFWDO-UHFFFAOYSA-N 291.332 1.242 0 50 CDAA O=C([C@@H]1C[C@H]1C1CC1)N1CCOC[C@@H]1c1ncon1 329467309 WNZLFERGAGDSSX-HBNTYKKESA-N 263.297 1.016 0 50 CDAA CN(C)c1ccc(NC(=O)C(=O)NCc2ccc[nH]2)cc1 123994173 HYRVZVVYXIJBKC-UHFFFAOYSA-N 286.335 1.336 0 50 CDAA Cn1cccc1CNC(=O)[C@]1(O)CCc2ccccc2C1 367363026 KLVRBVOHOIZTNH-KRWDZBQOSA-N 284.359 1.561 0 50 CDAA COC(=O)c1nc(CCNC(=O)OC(C)(C)C)oc1C 218910460 BTMMEKDOEHTYMX-UHFFFAOYSA-N 284.312 1.837 0 50 CDAA Cc1ccc(C)c2c(=O)cc(CN3CCOCC3)[nH]c12 77285809 XNPBPDJDMVECOC-UHFFFAOYSA-N 272.348 1.977 0 50 CDAA Cn1ccc(=NC(=O)N2CCC[C@@H]2c2cccnc2)[nH]1 369087135 DWWFPGYXPFCMMN-GFCCVEGCSA-N 271.324 1.606 0 50 CDAA COCc1nc(CNC(=O)c2ccc(CSC)o2)no1 219587222 YFMQGDCQFBMWQY-UHFFFAOYSA-N 297.336 1.602 0 50 CDAA CC[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CCCn2ccnc21 333619403 PHNSRSDQIBTEJO-UPJWGTAASA-N 292.383 1.627 0 50 CDAA O=C(C1CCN(Cc2ncc[nH]2)CC1)N1CCCCC1 77377947 UNHMMPIKZJXHOE-UHFFFAOYSA-N 276.384 1.634 0 50 CDAA Cc1cc(N[C@@H]2CCC(=O)N[C@H]2C2CC2)nc(C)n1 376489869 XGJWTVHMKKDXSW-RISCZKNCSA-N 260.341 1.563 0 50 CDAA CC(C)N1C[C@@H](C(=O)NC2Cc3ccccc3C2)CC1=O 77436382 KWGJUAYXYSUUOW-AWEZNQCLSA-N 286.375 1.527 0 50 CDAA Cc1cc(CNC(=O)c2ccc(Cl)cn2)no1 522889029 HYMHDAGNBWJYCD-UHFFFAOYSA-N 251.673 1.961 0 50 CDAA CN(CC1(CO)CCOCC1)c1ccc2cc[nH]c2n1 72429434 IOPATHBAROCKLC-UHFFFAOYSA-N 275.352 1.788 0 50 CDAA Cc1nnc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)o1 285095581 YVNRMRGHPAIJOM-WCQYABFASA-N 290.371 1.607 0 50 CDAA C[C@@H]1CSC[C@@H]1N[C@@H]1CCCN(c2ccn(C)n2)C1=O 285118295 NBAXENSERLTGBO-UTUOFQBUSA-N 294.424 1.257 0 50 CDAA COCc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)o1 263278853 JIBFJVSJYDUBNP-SECBINFHSA-N 253.254 1.115 0 50 CDAA COCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1 221197370 ZUQJTEMYHYUNDT-ZDUSSCGKSA-N 259.309 1.387 0 50 CDAA O=C(NC[C@H]1COCCO1)Nc1ccc(Cl)cc1 48694525 OEUQXTAAEASYMR-NSHDSACASA-N 270.716 1.877 0 50 CDAA Cc1ccc2[nH]c(C(=O)N[C@H](C)c3nc(=N)[nH][nH]3)cc2c1 426599848 ZSFWEZMXIPEDTI-MRVPVSSYSA-N 284.323 1.498 0 50 CDAA CCC1=NO[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 426722710 VCNARRRIKJKPJO-VIFPVBQESA-N 255.705 1.953 0 50 CDAA Cc1ncc(C(=O)N2CCC(C(=O)O)CC2)c(C(C)C)n1 178180104 JRSSXVHCFVNVHD-UHFFFAOYSA-N 291.351 1.845 0 50 CDAA COc1cc(C)cc(OC)c1-c1[nH]c(=N)[nH]c2ncnc1-2 426386285 JVAYMGXQEGNDLG-UHFFFAOYSA-N 285.307 1.710 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccnc(CN)c2)C1 381900525 WDMDCQRLSUZIMY-CYBMUJFWSA-N 293.367 1.929 0 50 CDAA O=C(CCC(F)(F)F)NCC[C@@H]1CCCCN1 88832993 ICBPPVVLVIBPSX-VIFPVBQESA-N 252.280 1.977 0 50 CDAA CO[C@@H]1CC[C@H](NC(=O)N2CCCC23CCN(C)CC3)C1 335862935 MZDJWSHZRVLBNJ-UONOGXRCSA-N 295.427 1.824 0 50 CDAA CC(C)[C@H]1CN(c2ccc3nncn3n2)CCCO1 294848568 BXEHWUBTYSUFTJ-LLVKDONJSA-N 261.329 1.376 0 50 CDAA OCc1nc([C@H]2CCOC2)nn1C1Cc2ccccc2C1 97324016 YKUVGVWHFRUXDD-ZDUSSCGKSA-N 285.347 1.614 0 50 CDAA CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91391084 UMCLGQVHGOWOLN-UONOGXRCSA-N 286.379 1.870 0 50 CDAA Cc1nc(CN2CC[C@H]3CNC[C@H]32)c2ccccn12 426443392 OAOHZXXVGQLABQ-SWLSCSKDSA-N 256.353 1.436 0 50 CDAA Cn1cccc1-c1cc(C(=O)N2CCC[C@@H]2C(=O)O)[nH]n1 95511151 YLNPCBPLULTLBY-GFCCVEGCSA-N 288.307 1.104 0 50 CDAA Cc1cccc(OC2CN(C(=O)c3cnn(C)c3)C2)c1 91468253 KNMASVHOWAPIJK-UHFFFAOYSA-N 271.320 1.632 0 50 CDAA NC[C@@H]1CCCCN1C(=O)c1ccccc1-n1cnnc1 97480178 DPXNQLNTYGOQNW-LBPRGKRZSA-N 285.351 1.221 0 50 CDAA O=C(c1ccc2nccn2c1)N1CCCC[C@@H]1CO 92099558 MEIPXQFRXQWNSQ-GFCCVEGCSA-N 259.309 1.321 0 50 CDAA CCc1cnc(N)nc1N[C@H]1Cc2ccccc2[C@@H]1N 95358552 LDSGHGZPRIKQKP-STQMWFEESA-N 269.352 1.658 0 50 CDAA CCN(C)C(=O)[C@@H](NC(=O)c1ccnc(Cl)c1)C(C)C 295715412 WWQWLSUBPWJYTN-LBPRGKRZSA-N 297.786 1.968 0 50 CDAA Cc1nnc(CN(CCC(N)=O)CCc2ccccc2)o1 244601891 DTUKWQMQTVEEBD-UHFFFAOYSA-N 288.351 1.298 0 50 CDAA CN(CCCC(N)=O)C(=O)OCc1ccccc1 255189465 PZQBVNAOFWCUFB-UHFFFAOYSA-N 250.298 1.521 0 50 CDAA Cn1ccc2c(OCC(=O)NCCc3c[nH]cn3)cccc21 253402702 GPKIKLRSZJNSBT-UHFFFAOYSA-N 298.346 1.639 0 50 CDAA biogenic COc1ccc2nc(CCNC(=O)CCSC)[nH]c2c1 252479784 BMVBMXZUZYTPLB-UHFFFAOYSA-N 293.392 1.983 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)CCOCc2ccccc2)C1 299742225 IZAGQPHXZWSBET-ZDUSSCGKSA-N 277.320 1.526 0 50 CDAA CN(C)CC[C@H](NC(=O)c1cnc[nH]1)c1ccccc1 534643581 FJYZWXMLVQVHFS-ZDUSSCGKSA-N 272.352 1.833 0 50 CDAA Cc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)nc1 299872814 NGPLBYMXVDHGDZ-IQIPOGNMSA-N 258.277 1.057 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCOC2(CC(C(=O)O)C2)C1 585139477 VRAYSMIZBSESAB-OPASDULOSA-N 285.340 1.924 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)c1cnccc1C 670436333 BKMDDGXQIJCTAX-NSHDSACASA-N 273.340 1.883 0 50 CDAA O=C(NCc1cc(C2CC2)n[nH]1)c1cc(C(F)F)[nH]n1 584887433 RZYTXOQIBFSNMT-UHFFFAOYSA-N 281.266 1.878 0 50 CDAA COc1cc(C(=O)N(CCC(=O)O)CC(C)C)sn1 585134080 CZHOBDXEAMIHRB-UHFFFAOYSA-N 286.353 1.725 0 50 CDAA C=CC(=O)N(C)CC(=O)N1Cc2cccc(OC)c2C1 863278014 MZYMYDXTNZEJAO-UHFFFAOYSA-N 274.320 1.182 0 50 CDAA CC(=O)NC(C)(C)c1noc(CN(C)CC(C)(C)C)n1 874435520 WFWUIKAKGDDUNX-UHFFFAOYSA-N 282.388 1.919 0 50 CDAA CC1(C)CN(C(=O)CCC2CCNCC2)CC[C@@H]1N 952845053 MOIJMARYLTZYHH-ZDUSSCGKSA-N 267.417 1.352 0 50 CDAA CNC(=O)CCN1c2cccc3cccc(c23)S1(=O)=O 1875255621 KITDZPKJHDVWLR-UHFFFAOYSA-N 290.344 1.485 0 50 CDAA Cc1nc([C@H]2CCCN2C[C@@H](O)Cn2cccn2)[nH]c1C 952994896 VZYDQTXMAVRPQY-ZIAGYGMSSA-N 289.383 1.421 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc(C(F)(F)F)[nH]1 1875272930 IZYBHKDGRCOHAZ-NSCUHMNNSA-N 276.214 1.493 0 50 CDAA CN(C)C(=O)C(C)(C)NC(=O)CCc1c(F)cccc1F 1875256615 CRGLLSDYQCRXGR-UHFFFAOYSA-N 298.333 1.880 0 50 CDAA CCCCC[C@H]1NC(=O)[C@@H](CCC(F)(F)F)NC1=O 1875281336 IHBZLYZVNCMQOB-RKDXNWHRSA-N 280.290 1.892 0 50 CDAA NC[C@H]1C[C@H](NC(=O)c2ccc3c(c2)NC(=O)CC3)C1 1875276726 UTSLEBDFBADADQ-OTCDBFHCSA-N 273.336 1.038 0 50 CDAA C=CC(=O)N(C)CC(=O)N1CC2(CCC2)c2ncccc21 1875380217 ISYZPILOFNZHIV-UHFFFAOYSA-N 285.347 1.494 0 50 CDAA N=c1nc2c(ncn2Cc2csc(C3CC3)n2)c(N)[nH]1 1875341441 TXIARNZSMRYOQY-UHFFFAOYSA-N 287.352 1.203 0 50 CDAA CN1[C@H]2CC[C@H]1CC(O)([C@H](N)c1ccsc1)C2 958527655 DFIBUXBNPXVPMY-SDDRHHMPSA-N 252.383 1.736 0 50 CDAA C[C@@H](CC1CCC1)NCc1cn(C2CC2)c(=O)nc1O 883296503 OLNHCSCOJRDIGD-JTQLQIEISA-N 277.368 1.952 0 50 CDAA CC1(C)NC(=O)CC[C@@H]1NC[C@H]1Cc2ccccc2CN1 1775962738 BHHVEVNWWZYZGQ-CABCVRRESA-N 287.407 1.348 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@]1(C)C(=O)O 1599915781 TXQCGMDNSUUUCV-NKFCBESUSA-N 273.332 1.896 0 50 CDAA CC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 405552247 OYHLIMFLMNYMHX-UHFFFAOYSA-N 266.301 1.273 0 50 CDAA C[C@@H](C(=O)N1CCO[C@](C)(c2ccccc2)C1)N(C)C 584907918 COCWGOAPPSRHFE-BBRMVZONSA-N 276.380 1.711 0 50 CDAA C=CC(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F 585124604 JFEDIYMXAJMURI-QMMMGPOBSA-N 264.247 1.232 0 50 CDAA CCC1(CC)[C@@H](NC(=O)CCc2cnn[nH]2)C[C@H]1OC 585135405 HZDCPEDTSYYHRZ-NWDGAFQWSA-N 280.372 1.447 0 50 CDAA c1cc(C2CCN(c3nccn4cnnc34)CC2)ccn1 276956261 CGUPWGXZXKJVFZ-UHFFFAOYSA-N 280.335 1.903 0 50 CDAA CO[C@H](C)CS(=O)(=O)N(C)[C@H](C)Cc1ccsc1 170620348 UMUCTBCGDLYXKO-GHMZBOCLSA-N 291.438 1.976 0 50 CDAA O=C(O)[C@H](C1CC1)N1CC[C@@H](CNc2ccccn2)C1 635015910 IATSHRQHCNHNMG-FZMZJTMJSA-N 275.352 1.679 0 50 CDAA C[C@H]1CN(Cc2cncs2)CCN1CC(C)(C)O 188888129 HUBQMJXAXHABDM-NSHDSACASA-N 269.414 1.420 0 50 CDAA C[C@@H]1O[C@H](C)C[C@@H]1NC(=O)C[C@H]1NCc2ccccc21 638944327 QQBMATGHXQIGBF-FDRIWYBQSA-N 274.364 1.903 0 50 CDAA COC(=O)c1nccc(N2C[C@H](C)O[C@H](C3CC3)C2)n1 591593367 DRPKEXPZZOJJIR-ONGXEEELSA-N 277.324 1.267 0 50 CDAA FC(F)[C@@H]1CN(c2nnnn2-c2ccccc2)CCO1 193583577 MRJABWRATCSEHT-JTQLQIEISA-N 281.266 1.133 0 50 CDAA CN(C)c1ccc(NC(=O)NC[C@@H]2CCCOC2)nc1 193868896 LNUSYMVVXXGYQF-NSHDSACASA-N 278.356 1.696 0 50 CDAA Cc1onc(CO)c1C(=O)N1C[C@@H](C)OC2(CCCC2)C1 655160156 GZSFHKWJODYLJP-SNVBAGLBSA-N 294.351 1.649 0 50 CDAA O=C1CC[C@@](C(=O)N2CC(CF)C2)(c2ccccc2)CN1 568225663 NEEUAYRRTMDMFC-INIZCTEOSA-N 290.338 1.262 0 50 CDAA CCOc1ccccc1CN1CCC(CO)(CO)C1 661972057 YYBCBSFADBHYAK-UHFFFAOYSA-N 265.353 1.262 0 50 CDAA O=C(NOC1CCOCC1)[C@@H]1CSCCS1 775248099 PLXHTNJVCUYRST-VIFPVBQESA-N 263.384 1.062 0 50 CDAA CN(C)c1nc(N2CCC[C@@H](O)CC2)ncc1F 1506397288 TWFNRZKHJPFXKW-SECBINFHSA-N 254.309 1.033 0 50 CDAA Cc1ccnn1CCN1CC[C@@H](O)CC(C)(C)C1 1506429642 WCXNUSDZAOPYJS-CYBMUJFWSA-N 251.374 1.674 0 50 CDAA CCC1(CC)CN(CCc2nccn2C)CCO1 1506409432 XGBBBMKLHSCVCE-UHFFFAOYSA-N 251.374 1.854 0 50 CDAA CC(C)C1=NO[C@H](C(=O)Nc2c3c(nn2C)CSC3)C1 1529174947 ZJHMQYTXKLJPPO-NSHDSACASA-N 294.380 1.906 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H]3CNC[C@@H]32)s1 209473035 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O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](C(=O)O)C1 262719571 OYIFNYNWBDMCRG-MNOVXSKESA-N 291.303 1.327 0 50 CDAA COC[C@]1(C(=O)O)CCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)C1 263088465 SMXWTIXLQPRORM-XUJVJEKNSA-N 299.367 1.284 0 50 CDAA C[C@H](Cc1ccccc1Cl)C(=O)NC[C@](C)(O)C(=O)O 263451093 SJAPNVWLTHWUFM-OTYXRUKQSA-N 299.754 1.470 0 50 CDAA C[C@@H](Oc1cccnc1)C(=O)Nc1nnc2n1CCCC2 162546411 YMVGOYDEUKMUPY-SNVBAGLBSA-N 287.323 1.415 0 50 CDAA CC(C)c1nnc(N2C[C@H]3COC[C@@H](C2)CN3C)s1 1704332111 WUSFWCAZNSJUDZ-MNOVXSKESA-N 282.413 1.428 0 50 CDAA c1ccc(CCN(Cc2cnon2)[C@@H]2CCOC2)cc1 851806021 GZDANYVLZOVVER-OAHLLOKOSA-N 273.336 1.903 0 50 CDAA O=C1NCCN(CCO[C@H]2CCOC2)c2ccccc21 930173003 HWSJEFLEMSIZNE-LBPRGKRZSA-N 276.336 1.042 0 50 CDAA Nc1cc(N)nc(SCC(=O)NC2CCCCC2)n1 305384 QMGXWQDPXHDCEV-UHFFFAOYSA-N 281.385 1.182 0 50 CDAA CC[C@H](C)[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(=O)O 252444078 BGXFRPJNHAEVSP-ZWKOPEQDSA-N 277.320 1.606 0 50 CDAA Cc1noc([C@H](C)N2CCN(Cc3cnns3)CC2)n1 289525234 GHIUSYIHPLYJAX-VIFPVBQESA-N 294.384 1.108 0 50 CDAA Cc1nc(NC(C)(CO)CO)c2ccsc2n1 63835396 ZTQDPPLQYRMAPP-UHFFFAOYSA-N 253.327 1.155 0 50 CDAA CNc1cc(C)nc(N2CCO[C@H](C(F)(F)F)C2)n1 71715063 QIJKHFDJCZPYOQ-QMMMGPOBSA-N 276.262 1.594 0 50 CDAA Cc1ncsc1CCN(C)Cc1nccn1C 72474020 AXQWLCLMQOWNFV-UHFFFAOYSA-N 250.371 1.860 0 50 CDAA COc1ccccc1CCNC(=O)c1conc1CN 407349146 AWGVASLFGVZNLY-UHFFFAOYSA-N 275.308 1.114 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2O)C1 332476538 TZTQPVMRCKGJFN-AOOOYVTPSA-N 253.273 1.829 0 50 CDAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc2c(c1)COC2 334749534 FOQOFRIYVAAMHG-RNCFNFMXSA-N 274.320 1.114 0 50 CDAA COc1cc(C(=O)NC[C@H]2CC[C@H](CO)CC2)ccn1 670468572 GCZQLHLIRIKJRY-HAQNSBGRSA-N 278.352 1.619 0 50 CDAA CN1CC[C@@H](N2CCc3[nH]nc(C(F)(F)F)c3C2)C1=O 363490726 SLYBEPADDZEJRR-SECBINFHSA-N 288.273 1.017 0 50 CDAA O=C(Nc1cccc(CN2CCCC2)c1)[C@@H]1CCN1 384764824 ALLKYINLKZDBOZ-AWEZNQCLSA-N 259.353 1.583 0 50 CDAA O[C@]1(c2ccccc2)c2ccccc2C2=NCCN21 3632416 AYCFVKGYERYDRT-MRXNPFEDSA-N 250.301 1.956 0 50 CDAA Cc1ccc(CC(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)o1 923199227 CWUIJGHMOCIBQK-WHOHXGKFSA-N 263.293 1.356 0 50 CDAA CC(C)(C)c1noc(CN2C3CCC2(C(N)=O)CC3)n1 932930909 GKMYQWRLMPPPSB-UHFFFAOYSA-N 278.356 1.349 0 50 CDAA C[C@H](C(=O)NC1CCCC1)N1C(=O)c2ccccc2C1=O 172344 KSWJKZKRYBYKME-SNVBAGLBSA-N 286.331 1.730 0 50 CDAA COc1ccc(OC)c(N2C(=O)c3cccnc3C2=O)c1 462413 WMBVFAQNAGYDTF-UHFFFAOYSA-N 284.271 1.899 0 50 CDAA CC(=O)c1c(OCC(N)=O)ccc2c(C)cc(=O)oc12 485520 RTNFLLNVDSUFLF-UHFFFAOYSA-N 275.260 1.168 0 50 CDAA biogenic Cn1nccc1C(=O)N1CCN(c2ccccc2)CC1 994679 MOHLINXBNXLLRQ-UHFFFAOYSA-N 270.336 1.383 0 50 CDAA COC(=O)Cc1cc(=O)oc2c(C)c(OC)ccc12 1237927 PJELXXMKNMVWQJ-UHFFFAOYSA-N 262.261 1.826 0 50 CDAA CNC(=O)c1sccc1Nc1ccc(C(N)=O)cc1 2356143327 CSHHVENACNABRJ-UHFFFAOYSA-N 275.333 1.950 0 50 CDAA CNC(=O)CSc1nnc(-c2cccs2)n1C 3355723 NQBXTXCVAMCVKL-UHFFFAOYSA-N 268.367 1.382 0 50 CDAA CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CC(=O)O 4521262 KJIQRHBVNGRPCO-VHSXEESVSA-N 275.345 1.761 0 50 CDAA CCS(=O)(=O)c1ccc2cc(C(=O)O)[nH]c2c1 6658356 KWXQBBKTDMEMGQ-UHFFFAOYSA-N 253.279 1.660 0 50 CDAA CCOc1ccc(S(=O)(=O)NCCOC)cc1Cl 6697968 WCMBLLRNAOHLRE-UHFFFAOYSA-N 293.772 1.663 0 50 CDAA COc1ccc(N2C(=O)C[C@H]([C@H]3CCCO3)C2=O)cc1 100570279 GHVBNWMNHPAMCU-CHWSQXEVSA-N 275.304 1.754 0 50 CDAA Cc1cccc(Cl)c1OCCOCCN(C)CCO 22079111 BEPGSDDOQCFQHA-UHFFFAOYSA-N 287.787 1.968 0 50 CDAA C[C@]1(O)CCN(Cc2cccc(CN3CCOCC3)c2)C1 420917457 RRBMBKBNJOYIOK-KRWDZBQOSA-N 290.407 1.476 0 50 CDAA C[C@H]1CN(C[C@H]2CCCCO2)CCN1Cc1nccn1C 248131544 NIAXHGPKRGJJAJ-LSDHHAIUSA-N 292.427 1.495 0 50 CDAA COC(=O)C1(C(=O)Nc2ccc3nc(S)[nH]c3c2)CC1 135504392 XZGNXZSTPMCHJM-UHFFFAOYSA-N 291.332 1.743 0 50 CDAA CCCC(=O)NCCNc1cc(N2CCCC2)nc(C)n1 67614078 KHBGHULJDKSFQH-UHFFFAOYSA-N 291.399 1.713 0 50 CDAA Cc1nc(C2(NC[C@@H](O)Cc3ccccc3)CCC2)no1 120284845 UCOAEMQPVJJKFO-AWEZNQCLSA-N 287.363 1.950 0 50 CDAA CO[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1N 118582109 OMPQDSCQQOWFJN-CHWSQXEVSA-N 264.325 1.371 0 50 CDAA CC(C)Cn1cc(NC(=O)c2cc(C(N)=O)cn2C)cn1 121346027 GMBSZTNALNIUKV-UHFFFAOYSA-N 289.339 1.229 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)/C=C/c1cncc(F)c1 121981530 WSRBQGVYEWUSNW-RPHDQRHUSA-N 277.343 1.962 0 50 CDAA CC(C)OCC(=O)NCCN1CCc2sccc2C1 144839220 FGCPDAPOOFUZRU-UHFFFAOYSA-N 282.409 1.647 0 50 CDAA CCN1CC[C@H](N(C)C(=O)[C@@H]2CC23CCNCC3)[C@@H](C)C1 236827513 NDOWNQCNCHVZFE-KKUMJFAQSA-N 293.455 1.565 0 50 CDAA O=C(NC[C@@H]1CCn2ccnc2C1)c1ccc(Cl)cn1 328628516 NTLPPCBJOLLGDQ-SNVBAGLBSA-N 290.754 1.924 0 50 CDAA Cc1ccc(CC(=O)N2CCN(C)[C@@H](c3ncc[nH]3)C2)cc1 328641485 XYPJIUKOCLYPTL-OAHLLOKOSA-N 298.390 1.776 0 50 CDAA C[C@H]1OCCN(Cc2ccc(F)cc2Cl)[C@@H]1C(N)=O 284705765 ULOPMBBFAVPODM-PELKAZGASA-N 286.734 1.554 0 50 CDAA Cc1nnnn1Cc1nc([C@@H](C)OCC(C)C)no1 123190570 SQFAMVJWCNWHKX-MRVPVSSYSA-N 266.305 1.146 0 50 CDAA O=C(c1ccc(F)c(Cl)c1)N1CC[C@H](CO)C1 147813128 MGUHMEZXTPGGRH-QMMMGPOBSA-N 257.692 1.934 0 50 CDAA Cn1cccc1C(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77452136 DMPAPYXQXDTOMP-LLVKDONJSA-N 286.335 1.337 0 50 CDAA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(C)o2)N(C)C1 284697487 QJKPYDFFIWWRIO-RYUDHWBXSA-N 266.341 1.379 0 50 CDAA C[C@H]1CC[C@H](CNC(=O)Cc2nc3ncccn3n2)C1 331500544 PVIOWHQTVXGKEU-QWRGUYRKSA-N 273.340 1.219 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](N2CC[C@@H](CCO)C2)C1 259868111 MYACVXPGFGZZNB-QWHCGFSZSA-N 284.400 1.700 0 50 CDAA C[C@@H](CC(=O)N1[C@@H](C)COC[C@H]1C)C1CCNCC1 237342615 ZFDNVGYKEJQWMJ-RWMBFGLXSA-N 268.401 1.648 0 50 CDAA C=CC(=O)NCCC(=O)N1CC(CC)(c2ccccc2)C1 490731079 IVQIAHFWNGJXMC-UHFFFAOYSA-N 286.375 1.869 0 50 CDAA OCCN(CCO)Nc1ccnc2cc(Cl)ccc12 71771375 NDOGVAOHNRWNDY-UHFFFAOYSA-N 281.743 1.502 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)C2)nn1C(C)(C)C 237708227 OYCXSYVETTUJOC-JTQLQIEISA-N 279.340 1.493 0 50 CDAA CSCC(=O)N(C)C[C@H]1Cc2ccccc2CN1C 77298351 DRYBTSVASIGNLO-CQSZACIVSA-N 278.421 1.865 0 50 CDAA COc1cc(C)sc1C(=O)N[C@@H](C(N)=O)C(C)C 215106294 UGMAVSUDPFRDJA-SECBINFHSA-N 270.354 1.305 0 50 CDAA CN(C)C/C=C/C(=O)N(C)CCc1ccccc1O 492508903 TYBLXMSGRZSFFN-RMKNXTFCSA-N 262.353 1.511 0 50 CDAA CCc1nc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)n[nH]1 375370877 SMTGOFKQRRLQFF-LLVKDONJSA-N 290.371 1.281 0 50 CDAA CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](N)C2)cc1 158430170 PWRWNYJOKIGDOH-VIIAAUOXSA-N 287.363 1.009 0 50 CDAA CC(C)OCCNC(=O)N(C)Cc1cnccn1 186917602 BHYYXYVPTADYAG-UHFFFAOYSA-N 252.318 1.043 0 50 CDAA COC(=O)c1cc(C(=O)N[C@H]2CCOC(C)(C)C2)cn1C 343658089 OXIZPIXNVRBJOL-NSHDSACASA-N 294.351 1.499 0 50 CDAA COCCN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](N)C1 215857111 HCOBYBFBYAGGPF-GXTWGEPZSA-N 294.370 1.928 0 50 CDAA CC(C)n1ncnc1CN1CC[C@]2(CCCN(C)C2)C1 339427827 DJUKRYMNLDJWNH-HNNXBMFYSA-N 277.416 1.777 0 50 CDAA CCOC[C@@H](NCC(=O)Nc1cc(C)on1)C(C)C 286308218 VXLIUBRTXCRZNX-LLVKDONJSA-N 269.345 1.572 0 50 CDAA N[C@@H]1CC[C@H](C(=O)NCc2ccc(-n3cccn3)cc2)C1 72417974 KFNDATYTXGXVQM-UONOGXRCSA-N 284.363 1.616 0 50 CDAA CN1C[C@H](NC(=O)c2ccc3ccccc3c2O)CCC1=O 133053087 AZWPKQPFNLICOH-GFCCVEGCSA-N 298.342 1.896 0 50 CDAA NC(=O)C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1 176216643 GNTAMRGGFPNEOQ-WCQGTBRESA-N 250.342 1.147 0 50 CDAA CCc1nnsc1C(=O)N1CCO[C@H](c2ccco2)C1 176726342 IXWSMVRDVHQQED-NSHDSACASA-N 293.348 1.907 0 50 CDAA COC(=O)C(CC[C@]1(C)C(=O)C=CC[C@@H]1C)C(=O)OC 43762580 UVBALAQSQMTGJP-BONVTDFDSA-N 282.336 1.900 0 50 CDAA CCC(=O)N1CCC(C(=O)NCc2cccnc2)CC1 40456103 RDMPQPRTNYISCD-UHFFFAOYSA-N 275.352 1.346 0 50 CDAA Cc1ccc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)n1 44394432 CKWYOQLVISMSGT-UHFFFAOYSA-N 295.701 1.983 0 50 CDAA Cn1nccc1CCN[C@H]1CCOC2(CCOCC2)C1 82161865 LZBVSZYPVKQYNU-ZDUSSCGKSA-N 279.384 1.280 0 50 CDAA C[C@@H](CCn1cccn1)NC(=O)C(=O)c1cccnc1 223187708 LQBIVQILQBLARN-NSHDSACASA-N 272.308 1.056 0 50 CDAA Cn1ncc(C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)c1C1CC1 292546114 SETQZRZBKZYPMT-MDZLAQPJSA-N 275.352 1.283 0 50 CDAA O=C(O)C[C@H](NS(=O)(=O)c1cccs1)C1CC1 137193171 WINNBSUJJDKQTH-QMMMGPOBSA-N 275.351 1.280 0 50 CDAA CSc1cccc(CN(C)C(=O)CN(C)C(N)=O)c1 426521471 PZUGENRQOKWIEF-UHFFFAOYSA-N 281.381 1.377 0 50 CDAA CCCN(CCOC)C(=O)c1cc(=O)cc(C)[nH]1 426691151 GWJBNGGHQIGOHV-UHFFFAOYSA-N 252.314 1.182 0 50 CDAA N=c1[nH]c(CCCNC(=O)C[C@@H]2CCOC2)cs1 426567112 PIZCOPLNYTUMDX-VIFPVBQESA-N 269.370 1.031 0 50 CDAA O=C(C[C@@H]1CCCO1)Nc1ccn(CC(F)(F)F)n1 179012164 GBRDDPNVFQLBMG-QMMMGPOBSA-N 277.246 1.953 0 50 CDAA Cc1ccc2snc(C(=O)N3CCn4cnnc4C3)c2c1 293018820 HULHEHUTXZCFAF-UHFFFAOYSA-N 299.359 1.852 0 50 CDAA O=C1O[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3C(=O)N1CCc2ccccc21 197183978 WUJYROUWYWTOOG-YXRJLALLSA-N 283.327 1.773 0 50 CDAA C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)O)cc2)CCO1 237462256 QLZFTXNLACKHCG-TZOMUSMUSA-N 275.304 1.645 0 50 CDAA Cc1nc(N(C)C)ncc1C(=O)N(C)[C@@H](C)c1ccon1 95391068 ZGJSKIPNAKUNNU-JTQLQIEISA-N 289.339 1.672 0 50 CDAA COCc1c(-c2nc([C@H]3CCOC3)no2)noc1C 96136371 NIJLPVBCQGNPLK-QMMMGPOBSA-N 265.269 1.683 0 50 CDAA CNc1ncccc1C(=O)NCC1(Cn2ccnc2C)CC1 97532584 IYBYIKATXXCYTG-UHFFFAOYSA-N 299.378 1.838 0 50 CDAA CCCN1C[C@@H](Nc2nc(C)nc3onc(C)c23)CC1=O 95356588 UOQBASZCUAYSOG-JTQLQIEISA-N 289.339 1.657 0 50 CDAA Cc1oc(=O)n([C@@H](C)C(=O)NC2CCCC2)c1C 95372290 LGTHYPMZMRNWHL-VIFPVBQESA-N 252.314 1.678 0 50 CDAA C[C@H]1Cc2cc(C(=O)N[C@H]3C[C@@H](C(=O)O)C3)ccc2O1 426734564 VQPUOVSUEQLQJE-KPXOXKRLSA-N 275.304 1.603 0 50 CDAA CCc1c(C)cc(-c2nc([C@@H]3CCOC3)no2)c(=O)n1C 96131673 URAZWCCOQPLZIY-SNVBAGLBSA-N 289.335 1.810 0 50 CDAA c1ccc(C[C@H]2CN(c3ccc4nncn4n3)CCO2)cc1 294931285 JBFNBLPOTWJCCJ-AWEZNQCLSA-N 295.346 1.572 0 50 CDAA Cc1cc(NCc2nnn[nH]2)nc(-c2ccccc2O)n1 91575470 WYWVEMOXCOICPL-UHFFFAOYSA-N 283.295 1.283 0 50 CDAA CCCCn1nc(CC(N)=O)nc1-c1ccc(OCC)o1 96139844 LTDLUEXXBHCPOH-UHFFFAOYSA-N 292.339 1.765 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)(CNCc2ccccc2)C1 238854054 MLSHCMOYPVSCEI-UHFFFAOYSA-N 292.379 1.758 0 50 CDAA O=S1(=O)CCN(C[C@H]2CCOc3ccccc3C2)CC1 95513131 JJGSDCCLKHQQBM-ZDUSSCGKSA-N 295.404 1.358 0 50 CDAA Cc1nc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cs1 96133162 ZRCACDBFOAARRP-LBPRGKRZSA-N 297.424 1.634 0 50 CDAA Cc1cccc(N2CCN(C(=O)[C@H](C)OC(C)C)CC2)n1 97823622 DESOBEXYVRBEJM-AWEZNQCLSA-N 291.395 1.852 0 50 CDAA CCc1nnc(NC(=O)CCN2CCCO[C@H](C)C2)s1 244633229 FZJDHFHHEJQUTR-SNVBAGLBSA-N 298.412 1.540 0 50 CDAA Cc1nonc1[C@@H](C)NCCCNC(=O)c1cccs1 863984645 XPEYSMGFBGBJOV-SECBINFHSA-N 294.380 1.910 0 50 CDAA CC(C)[C@H](NC(=O)c1cncn1C)c1ccccn1 534646523 YGAIIFHPUHBBEN-ZDUSSCGKSA-N 258.325 1.942 0 50 CDAA Cc1cc([C@H](C)N(C)Cc2cn(C)nn2)oc1C(=O)O 864097285 RRQQCJJPOMNBOD-VIFPVBQESA-N 278.312 1.608 0 50 CDAA Cc1nc(C(=O)NCCN2C(=O)CSC2=O)c(C)s1 269718321 QMBQWMKIAVSRQR-UHFFFAOYSA-N 299.377 1.185 0 50 CDAA Cc1ccc([C@@H](CNC(=O)c2cncnc2)N(C)C)cc1 273882004 XPQQYZZKDIMBKA-OAHLLOKOSA-N 284.363 1.818 0 50 CDAA Cc1cnccc1C(=O)N1CCN(C2CCCC2)C(=O)C1 299791917 DMIODQUZQJHWSM-UHFFFAOYSA-N 287.363 1.617 0 50 CDAA CCn1cncc1Cn1cnc2ccncc2c1=O 584892356 WBRYRDNQWFETNQ-UHFFFAOYSA-N 255.281 1.056 0 50 CDAA O=C(O)C1=CCCN(C(=O)C[C@H]2CCCCO2)C1 585134140 FWEJPTCVAWAPLF-LLVKDONJSA-N 253.298 1.189 0 50 CDAA CC(C)(CN1CCOCC1)N=c1cc[nH]cc1F 699636108 HXIHBIOFINBSOW-UHFFFAOYSA-N 253.321 1.165 0 50 CDAA N=c1[nH]c(C2CC2)ncc1C(=O)N1CCc2cccnc2C1 1875295835 SEGTURDQQZRYCT-UHFFFAOYSA-N 295.346 1.360 0 50 CDAA C[C@](O)(CNc1cc(O)nnc1Cl)[C@H]1CCCOC1 1875306524 JBVSRSPFCWTLPA-UFBFGSQYSA-N 287.747 1.425 0 50 CDAA C[C@H]1Cc2c(cccc2-c2ccc(=O)n(C)c2)C(=O)N1 1875313931 YQJQSTCKZXKDKL-JTQLQIEISA-N 268.316 1.727 0 50 CDAA Cc1ccc(S(=O)(=O)NCCCN[C@H]2CCOC2)cc1 952981393 WKDKIDUHZVQJNC-ZDUSSCGKSA-N 298.408 1.042 0 50 CDAA CCn1cncc1CN[C@H]1CCO[C@@H]1c1ccnn1CC 886079448 AUKWYILQUHACST-ZFWWWQNUSA-N 289.383 1.739 0 50 CDAA CNc1cnc(C(=O)Nc2cn(-c3ccccc3)nn2)cn1 1305992592 COIMWQPWRYTTQG-UHFFFAOYSA-N 295.306 1.351 0 50 CDAA CC[C@H]1CC[C@H](NC(=O)N2CCCN(C)C(=O)C2)CC1 1776002718 YUPPSNGYEWADFU-JOCQHMNTSA-N 281.400 1.829 0 50 CDAA C[C@H](CN(C)c1ncnc(-c2ccccc2)n1)c1nn[nH]n1 1337387899 SGJRLFXANGZKQG-SNVBAGLBSA-N 296.338 1.292 0 50 CDAA CCn1cc([C@@H](C)NC(=O)c2cnc3[nH]ncc3c2)cn1 1347675207 VTLGOBKWYNKYKC-SECBINFHSA-N 284.323 1.665 0 50 CDAA CN(C[C@@H](O)C(C)(C)O)[C@@H](CO)c1ccc(Cl)cc1 1434474483 NPLXVGOZTBLNDR-QWHCGFSZSA-N 287.787 1.437 0 50 CDAA Cc1occc1CNC(=O)[C@@H]1CC[C@H](C(=O)O)N1C1CC1 630653821 FHJPUHKTZWNPMX-QWHCGFSZSA-N 292.335 1.284 0 50 CDAA COCc1cccc(CC(=O)NC[C@H]2CCC[C@@H]2O)c1 275197866 XXRWKCGEWOHKPZ-CABCVRRESA-N 277.364 1.653 0 50 CDAA CC[C@@H](C)CN1CCN(CCN2CCCOCC2)CC1 170599780 VAVJHZQBEAKRIU-MRXNPFEDSA-N 283.460 1.372 0 50 CDAA CCOc1cc(O)ccc1NC(=O)CCn1cncn1 170611571 SIGNAZZJIDRMDI-UHFFFAOYSA-N 276.296 1.411 0 50 CDAA COCCNCC(=O)NC(C)(C)Cc1ccccc1C 170677607 IYNJDYSQYMUZHJ-UHFFFAOYSA-N 278.396 1.668 0 50 CDAA COC(=O)[C@@H](C)N(C(=O)c1ccncc1)C1CCC1 170611500 OOXWWGCJUZBWAU-SNVBAGLBSA-N 262.309 1.638 0 50 CDAA CS(=O)(=O)/C(C#N)=C/c1cccc(OCCC(=O)O)c1 170600076 KFGXAOIVMMQPHY-XYOKQWHBSA-N 295.316 1.449 0 50 CDAA Cc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(F)cc1)CC2 171328310 WQFFNPAWXIBSQG-CYBMUJFWSA-N 288.326 1.399 0 50 CDAA CO[C@H]1CCC[C@H](C(=O)N2Cc3nc(C)nc(O)c3C2)C1 636287249 VTUJMDLQHWUWTR-QWRGUYRKSA-N 291.351 1.538 0 50 CDAA CCC[C@H]1[C@H](C)CCCN1C(=O)CS(C)(=O)=O 408243983 LYVOYBRMFHQDPZ-MNOVXSKESA-N 261.387 1.458 0 50 CDAA CC1(S(=O)(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 408459759 JUXGZEXGCWQALS-CYBMUJFWSA-N 297.376 1.648 0 50 CDAA COCCN1CCC[C@@H](NC(=O)CSC(C)(C)C)C1 408512853 MYWIJKZRWCAKCD-GFCCVEGCSA-N 288.457 1.745 0 50 CDAA Cc1c(NC(=O)CCc2cnn(C)c2)nc2ccccn12 408516723 RVNWTOAAYPXXGO-UHFFFAOYSA-N 283.335 1.948 0 50 CDAA Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2ccoc2)o1 583621503 UXVNHZGRVFURHW-QWRGUYRKSA-N 294.286 1.318 0 50 CDAA COC(=O)C[C@H](NC(=O)Cc1ccoc1)c1ccncc1 584908838 HAGSTDRHMXQXJZ-ZDUSSCGKSA-N 288.303 1.638 0 50 CDAA CO[C@H]1CN([C@H]2CCCN(CC(C)(C)C)C2=O)CCO1 585116102 HJPMHTSQOGWMMW-QWHCGFSZSA-N 284.400 1.328 0 50 CDAA CC(C)(CN1CC[C@H](C(N)=O)C1)Oc1ccccc1 585116605 CLEPCMPVHBCKFT-LBPRGKRZSA-N 262.353 1.651 0 50 CDAA Cc1ccc(CN2CC[C@@H](C(N)=O)C2)cc1Cl 193588923 NEXICDXNLZNOSV-LLVKDONJSA-N 252.745 1.956 0 50 CDAA O=C1CC[C@H](Nc2ccc(Cl)cn2)[C@@H]([C@H]2CCCO2)N1 564561713 FWLUPJBBTXWOAS-WDMOLILDSA-N 295.770 1.973 0 50 CDAA c1cncc(-c2ccnn2Cc2nnc3n2CCCC3)c1 566048944 LPKIAGMVEMWHPJ-UHFFFAOYSA-N 280.335 1.921 0 50 CDAA O=C(O)CNC(=O)/C=C/c1cc(Br)cs1 195542606 GFNAHYSCKFTBEM-OWOJBTEDSA-N 290.138 1.725 0 50 CDAA COc1cccc(COC(=O)c2ccc3nnc(O)n3c2)c1 763096202 BNGDLBNGSRURGJ-UHFFFAOYSA-N 299.286 1.801 0 50 CDAA c1ccc(CCCN2CCN([C@@H]3CCNC3)CC2)cc1 97568831 HAPQWJXHZHQEBR-QGZVFWFLSA-N 273.424 1.599 0 50 CDAA CCn1ccc(C(=O)Nc2cnn(C(C)C)c2)cc1=O 1529174170 QCJSZSIILWJHIA-UHFFFAOYSA-N 274.324 1.898 0 50 CDAA N[C@H]1CC[C@H](NC(=O)c2[nH]cnc2-c2ccccc2)C1 213244921 JPTDMYNGQPRFRE-RYUDHWBXSA-N 270.336 1.686 0 50 CDAA CCc1ccccc1OCCN1CC[C@H](O)[C@@H](C(=O)O)C1 1704349002 IGDJMGPHKGHFOR-KBPBESRZSA-N 293.363 1.395 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3[nH]nnc3C)C[C@@H]21 1704344216 RMWGSZPDFDHRAI-UHIISALHSA-N 278.356 1.126 0 50 CDAA CC(C)OC(=O)N1CCC(NC(=O)N2CCCC2)CC1 112713036 NLTJTWKCMRXIDG-UHFFFAOYSA-N 283.372 1.801 0 50 CDAA NC[C@H]1CCCN1C(=O)Cc1cccc(Br)c1 122319651 JTNZLDIMEZWCGT-GFCCVEGCSA-N 297.196 1.941 0 50 CDAA CC[C@@H]1CN(C(=O)c2cc[nH]n2)CCN1CC(F)F 125439275 PNUZIBOVQNFIAW-SECBINFHSA-N 272.299 1.211 0 50 CDAA C[C@@H](NC1CC1)C(=O)NCc1noc2ccccc12 1615555525 RDMLJLHVYDCGQM-SECBINFHSA-N 259.309 1.585 0 50 CDAA Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1csnn1 1615591765 ZYEAJDCDGCZGBX-MRVPVSSYSA-N 279.369 1.308 0 50 CDAA C[C@H]1C[C@H](C(=O)O)CN(S(=O)(=O)c2ccoc2)C1 263161269 IIDRFDSGTBCCRF-IUCAKERBSA-N 273.310 1.011 0 50 CDAA COc1ccc(CCNC(=O)/C=C/C(=O)O)cc1OC 1605996 JPUUXDFBHSYRHR-AATRIKPKSA-N 279.292 1.003 0 50 CDAA COc1cc(-c2nccn2[C@@H]2CC=CC[C@H]2C(N)=O)ccn1 1857689342 BEXHBTUNIUQSIZ-CHWSQXEVSA-N 298.346 1.946 0 50 CDAA COc1cc(-c2ccc3c(c2)CN(C)C3=O)[nH]c(=N)n1 1857712222 GNTSEIKUYRNDAE-UHFFFAOYSA-N 270.292 1.150 0 50 CDAA CC[C@@H](C)CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 328629753 IQEQDOIXBUGKDL-CHWSQXEVSA-N 278.400 1.385 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)N1CC[C@H](OC(F)F)C1 606442204 HFVPLOGOQXROIL-QMMMGPOBSA-N 274.271 1.872 0 50 CDAA COc1ccnc(N2CCN(c3ccnc(C)n3)CC2)c1 608083329 JCNFNFPFMUPTCO-UHFFFAOYSA-N 285.351 1.515 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)O 2567681 FNYWDMKESUACOU-JTQLQIEISA-N 266.297 1.602 0 50 CDAA in-vitro Cc1ocnc1C(=O)N1CCC[C@H](CN2CCOCC2)C1 112198418 HRDBTCXXVZPLGE-CYBMUJFWSA-N 293.367 1.167 0 50 CDAA CCC[C@@H]1C(=O)NCCN1C(=O)c1ccnn1C(C)C 122597624 IBANWSOLIFJYDH-LLVKDONJSA-N 278.356 1.205 0 50 CDAA O=C(O)[C@@H]1CCN(c2ccccc2Br)C1=O 11891051 KHXLOSLERFFIRI-SSDOTTSWSA-N 284.109 1.887 0 50 CDAA in-vitro C[C@H](NC(=O)c1cc2ncccc2s1)c1nc[nH]n1 1875300578 ITYDLWSCXIUDQC-ZETCQYMHSA-N 273.321 1.905 0 50 CDAA C=CC(=O)N1CCn2c(Cc3ccccc3)nnc2C1 848978950 DFJLCEQDMBQMSD-UHFFFAOYSA-N 268.320 1.397 0 50 CDAA O=C(Nc1cnns1)N[C@H]1CCOC12CCCC2 930998414 NQXPRPITMVGHMD-QMMMGPOBSA-N 268.342 1.761 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H](C)C1CCCCC1 859561160 BAQROLKTJADAQR-LLVKDONJSA-N 252.358 1.716 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](N)C[C@H]1C 228342608 GVVRWMZKFXYUOR-ZYHUDNBSSA-N 286.372 1.634 0 50 CDAA CCN1CCC[C@@H]1CN(C)C(=O)c1cnccc1N 128118588 REFZYKRGGMUCCK-LLVKDONJSA-N 262.357 1.220 0 50 CDAA Cc1nccc(C(=O)N2CCCCC[C@@H]2C(=O)O)n1 257725490 VKBFXICSDTZGEZ-LLVKDONJSA-N 263.297 1.254 0 50 CDAA C[C@H]1CN(CCc2ccc3c(c2)CCO3)CCS1(=O)=O 266520910 IOCMSILCOFHBTI-LBPRGKRZSA-N 295.404 1.283 0 50 CDAA Cc1cnc(Cn2cnc3ccsc3c2=O)cn1 352543279 CHIKDBLDSBUFHX-UHFFFAOYSA-N 258.306 1.605 0 50 CDAA O=C(Cc1cccnc1)N1CCC(c2cnc[nH]2)CC1 330325188 JANBDQLBCGZAGX-UHFFFAOYSA-N 270.336 1.753 0 50 CDAA C[C@@H]1C[C@H](C(=O)NC[C@@H](CC2CC2)C(=O)O)[C@@H](C)O1 630199614 FXVOOSPAWUFONR-IQIPOGNMSA-N 269.341 1.417 0 50 CDAA COc1cccc2c1CC[C@H]2NS(=O)(=O)c1cn[nH]c1 1260964560 PJKMPAJZMLBIHY-GFCCVEGCSA-N 293.348 1.384 0 50 CDAA CN(CC(N)=O)C(=O)C12CC3(O)C[C@@](C)(C1)C[C@@](C)(C3)C2 2325771253 NSFCZBDBJKGOKR-WXLSXGNJSA-N 294.395 1.042 0 50 CDAA CC(C)(C)C[C@H](CO)CNC(=O)c1nc[nH]c2nccc1-2 2325783053 WESHEKYDGNABCA-JTQLQIEISA-N 290.367 1.684 0 50 CDAA Cc1c[nH]c(C(=O)N[C@](C)(C(=O)O)C2CCC2)c1 2325817095 FJLUGEQEWFTKHM-ZDUSSCGKSA-N 250.298 1.696 0 50 CDAA O=C(NCc1ncn2c1CCCC2)c1nccc2n[nH]cc12 2325827197 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OCCN(CCO)Cc1ccccc1C(F)(F)F 23282628 ZOKZZOZIKGTYFR-UHFFFAOYSA-N 263.259 1.492 0 50 CDAA CN(C)C[C@@]12CNC[C@H]1CN(c1ncc(Cl)cc1F)C2 1772712026 ZNICZYJSQIIOBV-IINYFYTJSA-N 298.793 1.462 0 50 CDAA CN(C[C@@H]1CCC(=O)N(C)C1)CC1(CO)CCCC1 1775979564 WVWMDHRRNIECAY-ZDUSSCGKSA-N 268.401 1.339 0 50 CDAA COCC(=O)N1CCN(Cc2ccccc2C)CC1 20638258 YMPPFBCZZGICTP-UHFFFAOYSA-N 262.353 1.286 0 50 CDAA CC(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 11697472 HBHWNGISJSCOBI-UHFFFAOYSA-N 298.350 1.284 0 50 CDAA O=c1c2c([nH]c3nc(COc4ccccc4)nn13)CCC2 18270864 NTJTUCMXXRLUAU-UHFFFAOYSA-N 282.303 1.485 0 50 CDAA CCOC(=O)c1cc2c(nc1N)CC(C)(C)OC2 19313063 HSTNBBMZWJAKBB-UHFFFAOYSA-N 250.298 1.692 0 50 CDAA biogenic C[C@@H](CN(C)Cc1cccc2ccnn12)N1CCOCC1 1857666963 HFVWOYDBQCKQFW-AWEZNQCLSA-N 288.395 1.487 0 50 CDAA O=C([C@H](O)C1CCCCC1)N1CC(N2CCCCC2)C1 1857703645 UYPBWBDVEKMRLW-OAHLLOKOSA-N 280.412 1.624 0 50 CDAA Cc1cc(C)nc(N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)n1 1857715365 ONUTVQOMNVKRFN-KYEXWDHISA-N 275.352 1.070 0 50 CDAA C[C@H]1CN2C[C@@H](NC(=O)c3ccc(Cl)cc3)C[C@H]2CO1 1857735416 DCVMOLVOCSRTNF-BPNCWPANSA-N 294.782 1.931 0 50 CDAA C1CO[C@H](CN2CCc3[nH]nc(C4CC4)c3CC2)CO1 1857736309 OPNXTUJIXZIIAQ-GFCCVEGCSA-N 277.368 1.103 0 50 CDAA O=c1c2[nH]ccc2ncn1CC[C@@H]1COc2ccccc2O1 1875243428 GVVRPRXZVPSDGR-LLVKDONJSA-N 297.314 1.955 0 50 CDAA Cn1nccc1C1CCN(C(=O)[C@@H]2CCC[C@H]2N)CC1 237677636 UPBPHRZOBZJVBU-CHWSQXEVSA-N 276.384 1.254 0 50 CDAA CC(C)NS(=O)(=O)c1ccc2c(c1)OCCO2 4834941 NGLRBLCPHMTCSD-UHFFFAOYSA-N 257.311 1.145 0 50 CDAA Cc1cc(NC(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)no1 900473003 BRWGQSGDEWHKHZ-VHSXEESVSA-N 279.296 1.558 0 50 CDAA COc1cc(C(=O)Nc2cnn[nH]2)cc2c1O[C@H](C)C2 935598527 QIWDRDGPMMMLLJ-SSDOTTSWSA-N 274.280 1.389 0 50 CDAA CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 428655 URPKUVHOTJKCBJ-SNVBAGLBSA-N 296.392 1.672 0 50 CDAA COC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 468013 PULOLCVQGGLQOQ-UHFFFAOYSA-N 277.320 1.865 0 50 CDAA CO[C@H](C(=O)N1CCC[C@H]([C@@H](C)N)C1)c1ccccc1 226334308 HHOWOBJOTQLWAW-SNPRPXQTSA-N 276.380 1.960 0 50 CDAA Cn1nccc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 252388793 GIGRTIONCYGQOB-FOGDFJRCSA-N 277.324 1.278 0 50 CDAA CN1CCCN(C(=O)Cc2ccc(F)cc2)CC1 6730785 CEXHBANJWVJQNP-UHFFFAOYSA-N 250.317 1.532 0 50 CDAA CSCc1ccc(C(=O)N2CCN[C@@H](C)C2)cc1 155075354 RSLBXVPUOFFOHL-NSHDSACASA-N 264.394 1.984 0 50 CDAA O=C(NCC1(O)CCC(F)(F)CC1)[C@H]1CCCS1 620324525 XMABLHVBQKIGRP-SECBINFHSA-N 279.352 1.939 0 50 CDAA CCc1ncc(S(=O)(=O)NCc2ccnc(C)c2)[nH]1 391270125 KARKQPARHWXSSA-UHFFFAOYSA-N 280.353 1.154 0 50 CDAA Cc1nc(-c2cccc(NC(=O)[C@@H]3C=CCN3)c2)n[nH]1 952973150 RGXMJRKXOYUGPT-LBPRGKRZSA-N 269.308 1.247 0 50 CDAA COC(=O)[C@@H]([C@@H](C)O)N(C)C(=O)c1cccc(SC)c1 2325755023 WMUNLURLDXGNBW-BXKDBHETSA-N 297.376 1.403 0 50 CDAA O=C([C@H]1CC=CCC1)N1CCO[C@@H](c2cn[nH]c2)C1 2325803496 KFLWHSUBEIDQKR-WCQYABFASA-N 261.325 1.666 0 50 CDAA Cc1scnc1Cn1cc([C@]2(O)CCCNCC2)nn1 2325808661 RQZXGBLQFQOIAV-ZDUSSCGKSA-N 293.396 1.052 0 50 CDAA Oc1cnccc1-c1noc(CCc2ncc[nH]2)n1 2325865728 NYJGJUMFMWDWAP-UHFFFAOYSA-N 257.253 1.346 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC1CCCCCC1 861895997 MXQIUFQXWBADMS-UHFFFAOYSA-N 252.358 1.717 0 50 CDAA CN1C(=O)[C@@](O)(CC(=O)c2ccccc2O)c2ccccc21 49255 HSYLWSWQNACGOH-QGZVFWFLSA-N 297.310 1.829 0 50 CDAA biogenic O=C(NC(=S)NC[C@H]1CCCO1)c1ccco1 70142 KPKAUMLDAVDVJC-MRVPVSSYSA-N 254.311 1.063 0 50 CDAA CC[C@H](C(=O)N1CCC(C(N)=O)CC1)c1ccccc1 311056 IEIILMNVKRKFOV-AWEZNQCLSA-N 274.364 1.904 0 50 CDAA NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1 378988 JRAAEQQDQMILRM-UHFFFAOYSA-N 260.337 1.343 0 50 CDAA Cc1ccc2c(c1)[C@@](O)(CC(=O)c1cccnc1)C(=O)N2 477230 HDJFNPOFFRNOBP-INIZCTEOSA-N 282.299 1.803 0 50 CDAA O=C1CSC2=NCN(c3ccc(F)cc3)CN12 1132044 XNQPBTKTPBCDOI-UHFFFAOYSA-N 251.286 1.492 0 50 CDAA CC(C)(C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 2244297 OXHIVNUWGSCHBD-VHSXEESVSA-N 287.356 1.698 0 50 CDAA COc1ccc(Nc2nc(C(=O)O)ccc2OC)cn1 2356142099 DHGPMJBAHQXDAQ-UHFFFAOYSA-N 275.264 1.936 0 50 CDAA O=C1OC[C@H]2CN(Cc3cncn3C3CCCCC3)C[C@@H]12 2356146358 CDENNJBEIKWUSX-IUODEOHRSA-N 289.379 1.993 0 50 CDAA CCCN1Cc2nnc(-c3cc(C)no3)n2[C@H](C)C1=O 2356160540 XBTJLSQGMUJROA-SECBINFHSA-N 275.312 1.555 0 50 CDAA O=C(Cn1nnc2ccccc21)Cn1nnc2ccccc21 4184004 SZHVGNLCBTXWRQ-UHFFFAOYSA-N 292.302 1.445 0 50 CDAA CCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1)n2C 6265806 GQEKUPXALGNFDS-UHFFFAOYSA-N 270.292 1.110 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)c2csc(C(N)=O)c2)C1 6678608 RUALYWBYJJIEHW-QMMMGPOBSA-N 288.394 1.268 0 50 CDAA CCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)cn1 6741101 MLVNXLIURKDHGA-UHFFFAOYSA-N 297.355 1.563 0 50 CDAA CCn1cc([C@H]2CC(=O)Nc3c2nc2n3CCCC2)cn1 67459682 QUGPDGBMRZWWPW-LLVKDONJSA-N 285.351 1.910 0 50 CDAA CC[C@H](C)n1nccc1NC(=O)CCCNC(C)=O 55327236 DTEMRVPDJDQLPU-JTQLQIEISA-N 266.345 1.709 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCc1ccncc1 100154726 RPUZUGCWRTXDBT-FQUUOJAGSA-N 286.331 1.263 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](NC(=O)CSC(C)C)C(=O)O 67954775 YLVCZFJMEDOGTH-LLVKDONJSA-N 285.369 1.410 0 50 CDAA CCOC(=O)N1[C@H]2C=C[C@@H]([C@H]3C=C[C@@H]32)N1C(=O)OCC 101043241 RDLHYUWUQQZKHO-BJDJZHNGSA-N 278.308 1.941 0 50 CDAA Cc1cc(CNc2nccc(N3CC[C@H](O)C3)n2)cnc1C 65396254 PGHCKBACIPKWCK-AWEZNQCLSA-N 299.378 1.672 0 50 CDAA O=C(COc1ncnc2ccccc12)NCCn1cccn1 20859933 PFWPMWBFOSMARZ-UHFFFAOYSA-N 297.318 1.022 0 50 CDAA CNc1ccnc(N2CCCN(CC(C)C)CC2)n1 65488870 IDFIDPJHPQZTKI-UHFFFAOYSA-N 263.389 1.686 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1cnc(N)nc1 67817384 JXOWHTQIVGQSDI-SNVBAGLBSA-N 260.345 1.592 0 50 CDAA C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCOCC1 20707211 SXYUIYCBIDPKLD-JTQLQIEISA-N 291.376 1.956 0 50 CDAA Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)cc1 229106420 URWMWFHORKDXSC-KGLIPLIRSA-N 265.353 1.191 0 50 CDAA Cc1nc(N(C)C)nc(N2CCc3n[nH]cc3C2)c1C 67886625 RBORLTYPJSEPGL-UHFFFAOYSA-N 272.356 1.445 0 50 CDAA COc1ccc(O[C@@H](C)C(=O)NC2CCN(C)CC2)cc1 20311997 NGAMTWVEMZJFET-LBPRGKRZSA-N 292.379 1.673 0 50 CDAA O=C(NCc1nc(Cc2ccccc2)no1)c1cc[nH]n1 20205405 WSNRKEMORIPGND-UHFFFAOYSA-N 283.291 1.314 0 50 CDAA CS[C@@H]1CCC[C@H]1NC(=O)NC[C@@H](O)C1CC1 229843674 MGTPRPWEBNENDO-GMTAPVOTSA-N 258.387 1.341 0 50 CDAA CCN(c1ccc(C(=O)N(C)C)cc1)S(=O)(=O)CC 65364618 ZNLFBYSFCVMZKJ-UHFFFAOYSA-N 284.381 1.564 0 50 CDAA CCCN1C(=O)N(c2ccc(OC)nn2)C(=O)[C@@H]1CC 328594946 GNWXYPTVWGNCAK-VIFPVBQESA-N 278.312 1.442 0 50 CDAA CC(C)n1ccc(C(=O)NCc2nc3ccncc3n2C)n1 328591629 BNRKHPZVYMAFKV-UHFFFAOYSA-N 298.350 1.676 0 50 CDAA C[C@H](NC(=O)[C@@H]1CCC[C@@H](N)C1)[C@@H]1CCCCN1 521398772 WHKCAGZAXLOIJQ-LOWDOPEQSA-N 253.390 1.151 0 50 CDAA CC1(C)CN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C[C@@]2(CCOC2)O1 362127377 ZATQMTPSZLXLPE-SZOQZIPDSA-N 291.391 1.995 0 50 CDAA CN(Cc1csnn1)[C@H]1CCO[C@@H]1c1cccnc1 328923469 CZNJMSFIMXXORB-QWHCGFSZSA-N 276.365 1.895 0 50 CDAA O=C1NCCN(Cc2cscn2)[C@H]1Cc1ccccc1 216367460 HWHGUJQKCMDPFX-AWEZNQCLSA-N 287.388 1.686 0 50 CDAA CC(C)Oc1ccc(CCNC(=O)CN(C)C(N)=O)cc1 120510898 PWPPFXYGNQKQFZ-UHFFFAOYSA-N 293.367 1.143 0 50 CDAA CCC[C@@]1(CO)CCN(C(=O)C2(O)CCCC2)C1 365613974 DLJIATJRMNEPJD-CYBMUJFWSA-N 255.358 1.303 0 50 CDAA Cc1cnccc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 366433012 RPEYRYGOKDLOOY-OAHLLOKOSA-N 288.351 1.205 0 50 CDAA C[C@]1(C(N)=O)CCCCN1Cc1ccc2c(c1)OCCO2 368201406 NHDFZJYIBYYHGD-MRXNPFEDSA-N 290.363 1.688 0 50 CDAA O=C1NC(=O)[C@]2(CCCN(C[C@H]3C[C@@H]3c3ccccc3)C2)N1 333010442 FQQIXBGICPQBCR-CKEIUWERSA-N 299.374 1.464 0 50 CDAA CCc1c(C(=O)N2CC[C@H](C(=O)O)C2)cnn1C(C)(C)C 261863066 PWCOEHHIKCLCOA-JTQLQIEISA-N 293.367 1.747 0 50 CDAA Cc1cc2c(=O)n([C@H]3CCN(C)C3=O)cnc2s1 32597806 RTGZGVAPGJQFPO-VIFPVBQESA-N 263.322 1.170 0 50 CDAA Cn1nccc1[C@H]1[C@H](NCC2CC2)CC(=O)N1C1CC1 284571857 PAIPVVFRVGCIIE-IUODEOHRSA-N 274.368 1.224 0 50 CDAA Cn1ccnc1[C@H]1CCCN(Cc2cc[nH]c(=N)c2)C1 373277602 HORAHZADEYCIHX-ZDUSSCGKSA-N 271.368 1.607 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(N(C)C)c1 219433940 SRVUOPSHLKRTJA-ZIAGYGMSSA-N 278.352 1.286 0 50 CDAA O=C1c2ccccc2C(=O)N1CCCc1ncc[nH]1 73667165 WDKDBQFTGAPJFD-UHFFFAOYSA-N 255.277 1.639 0 50 CDAA CC[C@H](NCc1cn(-c2ccccc2C)nn1)[C@@H](C)O 449542710 MYFKOPSQDVJLLE-OCCSQVGLSA-N 274.368 1.825 0 50 CDAA C[C@@H](O)c1cn(C2CN(Cc3cccc4[nH]ccc34)C2)nn1 374818374 KOCMBLBDCADFOW-LLVKDONJSA-N 297.362 1.870 0 50 CDAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1cc(C2CC2)on1 375060602 ZFCJDWJQUZZWSD-UWVGGRQHSA-N 267.304 1.324 0 50 CDAA NC(=O)C[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)C1 377349756 GERRFUJPGJBHPW-YBJDMEARSA-N 264.369 1.847 0 50 CDAA NC1(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)CC1 71575593 PVSBTWNANGKYMP-HNNXBMFYSA-N 288.391 1.320 0 50 CDAA O=C1NCCN1CCN1CC[C@H](Oc2cccc(F)c2)C1 377604925 SDAQBEIUDUPFPP-AWEZNQCLSA-N 293.342 1.304 0 50 CDAA CC(=O)N1CC(C(=O)N2CCOC[C@H]2c2ccccc2)C1 335858435 YEGPDXCWFPSYGG-HNNXBMFYSA-N 288.347 1.065 0 50 CDAA Cc1ncccc1C(=O)Nc1cccc2c1CNC2=O 336324626 VIHABSUAAJRECD-UHFFFAOYSA-N 267.288 1.886 0 50 CDAA COc1ncccc1N(C)C(=O)[C@H]1CCCCO1 130607143 HSBALUCJYAIHLK-LLVKDONJSA-N 250.298 1.622 0 50 CDAA C[C@H](CCc1ccccc1)NC(=O)CCS(C)(=O)=O 79120923 TZRPIAKLAOGRSM-GFCCVEGCSA-N 283.393 1.559 0 50 CDAA CN(C)[C@@H]1[C@@H](NC(=O)c2ccsc2)[C@H]2CCO[C@H]21 219167095 LUBCHRLDGIOGOV-WRWGMCAJSA-N 266.366 1.195 0 50 CDAA O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cn[nH]c1 215580165 OIYVCSWWOKZEOR-UHFFFAOYSA-N 282.307 1.167 0 50 CDAA CC(C)(CN1CCCn2cncc2C1)N1CCOCC1 72168506 BADCCSYKOVNNHQ-UHFFFAOYSA-N 278.400 1.200 0 50 CDAA CNC(=O)CCN(C)c1cc(C(C)C)nc2ccnn12 72138693 WEYHZJCBXAAJAL-UHFFFAOYSA-N 275.356 1.425 0 50 CDAA CC(=O)N1CC[C@@H](C(=O)Nc2nc(C3CC3)cs2)C1 175514810 IDCADVSNASGURG-SNVBAGLBSA-N 279.365 1.827 0 50 CDAA OCCNc1nc(N2CCCC2)c2ccccc2n1 41148448 JHFMDTOCOICZOB-UHFFFAOYSA-N 258.325 1.634 0 50 CDAA COc1cc(Cl)ccc1CN1CCC[C@@](O)(C(N)=O)C1 225481076 LAUQLMCQYBLINH-AWEZNQCLSA-N 298.770 1.161 0 50 CDAA Cn1ncc(CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)n1 289363472 JCXPNNRSMQQLQK-CQSZACIVSA-N 291.355 1.206 0 50 CDAA OC[C@@H]1CC[C@H](CNCc2cc(O)cc(F)c2)O1 292734299 QGCNWRIYJJTHIA-OLZOCXBDSA-N 255.289 1.161 0 50 CDAA CC[C@@H]1COCCN1C(=O)C1=C(C)N2CCN=C2S1 223575958 QLEPGMLZAZOABJ-SNVBAGLBSA-N 281.381 1.274 0 50 CDAA COc1ccsc1C(=O)N[C@]1(C(=O)O)CCSC1 161382823 XDKQWIUBPKZRIN-LLVKDONJSA-N 287.362 1.447 0 50 CDAA CN(C)C1(CNC(=O)c2cncc(F)c2)CCOCC1 130118719 LAFUOWHSNGYMES-UHFFFAOYSA-N 281.331 1.061 0 50 CDAA S=c1nc(-c2ccco2)[nH]n1CN1CCOCC1 135805634 FENBUZUKQWLMJO-UHFFFAOYSA-N 266.326 1.490 0 50 CDAA C=CC(=O)N(C)CCCN(C)C(=O)OC(C)(C)C 1120462967 SJZOMZFJGBRCAA-UHFFFAOYSA-N 256.346 1.888 0 50 CDAA Cc1ccc(C)c(CNC(=O)NC[C@@H]2CCCN2)c1 426478106 WREWTVMUMFJSTO-AWEZNQCLSA-N 261.369 1.855 0 50 CDAA Cc1nccn1[C@@H](C)CC(=O)NCCSc1cnn[nH]1 426497140 ZNRBBJCVMPCHJZ-VIFPVBQESA-N 294.384 1.169 0 50 CDAA Cc1cnccc1N1CCN(c2cnccn2)CC1 191978437 CNHSCOAYBNCWHG-UHFFFAOYSA-N 255.325 1.507 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 239121217 JNHBKFAZBKSPLV-DVZHBHJUSA-N 285.299 1.053 0 50 CDAA CC(C)(C)[C@H](NC(=O)c1cc(O)cc(C(=O)O)c1)C(=O)O 426465061 BSWKWVDECAOQPU-SNVBAGLBSA-N 295.291 1.320 0 50 CDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1nccnc1C)CC2 426486081 VELZLRJBNFWLPF-VHDGCEQUSA-N 277.368 1.289 0 50 CDAA CC[C@H](C(=O)NCc1cn2c(n1)SCC2)n1cccn1 91655931 NLKRGDHFRHTSBK-LLVKDONJSA-N 291.380 1.453 0 50 CDAA CCc1noc(CC)c1CNC(=O)[C@@H]1CCCCN1 162963243 OTCNFTUQJSUAFE-LBPRGKRZSA-N 265.357 1.558 0 50 CDAA CCC[C@H]1CN(c2cc(COC)ncn2)C[C@@H]1N(C)C 91602452 LZFNOOGEISPOQC-JSGCOSHPSA-N 278.400 1.790 0 50 CDAA Cc1nc(CN2C[C@@H](C(=O)O)[C@H](c3ccncc3)C2)co1 91934145 UBIIDYOATIWDBQ-UONOGXRCSA-N 287.319 1.678 0 50 CDAA CN1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 91636678 WEUDKCOYLFDWSQ-UHFFFAOYSA-N 286.383 1.667 0 50 CDAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CC(O)C1 97698958 AXTKQUQVHXVXRP-UHFFFAOYSA-N 262.284 1.361 0 50 CDAA Cc1n[nH]c(C)c1-c1nc(N2CCCCC2)n(C)n1 96153375 QZGQLSAOOCWAPY-UHFFFAOYSA-N 260.345 1.812 0 50 CDAA COc1cccc(-c2nc(C)nn2CCO)c1OC 91848684 QCJFLLTUHSHVLG-UHFFFAOYSA-N 263.297 1.263 0 50 CDAA Cn1cc(C2CCN(C(=O)[C@H]3CCC[C@H]3N)CC2)cn1 237892738 VDPSSSXFCLJSAB-UONOGXRCSA-N 276.384 1.254 0 50 CDAA Cc1nccn1CCCN1C(=O)COc2cccnc21 95356182 DRSBATRSKHDSRX-UHFFFAOYSA-N 272.308 1.402 0 50 CDAA CCCN1C[C@@H](Nc2cc(COC)ncn2)CC1=O 95352076 DKNFSZWGKYQYGE-JTQLQIEISA-N 264.329 1.046 0 50 CDAA Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCNC2)[C@@H](C)CO1 237707055 KOQDWGPXXAIPMI-DZKIICNBSA-N 288.391 1.893 0 50 CDAA CCCc1cc(C(=O)NC2(C(=O)O)CCCC2)n(C)n1 95388234 NYTBNEMPVWYEQE-UHFFFAOYSA-N 279.340 1.500 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@@H]1C(=O)O 268971735 HLHOJYZWURASHO-BFHYXJOUSA-N 289.331 1.411 0 50 CDAA Cc1nonc1OCCNC(=O)CC[C@@H]1CCCCN1C 95372922 NPGDANDYTQCBKH-LBPRGKRZSA-N 296.371 1.138 0 50 CDAA CCn1cc([C@@H](C)NC(=O)c2cccnc2F)cn1 297299423 XRTQORDCAHQUJW-SECBINFHSA-N 262.288 1.928 0 50 CDAA O=c1[nH]ccn1CCN1CC[C@@H]1c1ccc(F)cc1 244734634 NJGVXZYYCWHFOI-CYBMUJFWSA-N 261.300 1.763 0 50 CDAA CN(C)c1nccc(NC[C@@H](C(=O)O)C2CCOCC2)n1 863734584 ICNMFFRXTLVBEE-LLVKDONJSA-N 294.355 1.082 0 50 CDAA CCN(C)C1(CNC(=O)c2[nH]cnc2C)CCCC1 534590274 ARYJWDHTJMOFCG-UHFFFAOYSA-N 264.373 1.712 0 50 CDAA O=C(COC[C@@H]1CCCCO1)NCc1cccc(CO)c1 534673058 VSWINLZKDSVWKF-HNNXBMFYSA-N 293.363 1.381 0 50 CDAA c1ccc(-c2cc(CN3CC[C@H]4CNC[C@H]43)on2)nc1 534584910 DRLYDDZYGSNMLW-XHDPSFHLSA-N 270.336 1.530 0 50 CDAA Cc1nc(NC(=O)[C@@H]2COc3ccccc3O2)ns1 1940198430 RWYHWIBGQMZDDD-JTQLQIEISA-N 277.305 1.625 0 50 CDAA COCCN(C)CC(=O)NCc1cnc2ccccc2c1 299756011 HEKUWLKWDZQJMH-UHFFFAOYSA-N 287.363 1.429 0 50 CDAA CCn1nccc1C(=O)N1CC[C@]2(OC)CC[C@H](O)C[C@H]12 299766098 CIJHJGWIDZPCLD-CORIIIEPSA-N 293.367 1.048 0 50 CDAA COC(=O)C(=O)c1cccnc1NC(=O)OC(C)(C)C 725346530 BBGYJSVEJURDRC-UHFFFAOYSA-N 280.280 1.784 0 50 CDAA Cc1nncn1CCN(C)C[C@@H]1CCN(C)C1(C)C 823690235 RRXCHIUDHABVQW-ZDUSSCGKSA-N 265.405 1.249 0 50 CDAA CC[C@@H](Nc1ccc(C(=O)N(C)C)cn1)[C@H]1C[C@@H](O)C1 822651024 AMSDBZXKCUHBCP-FRRDWIJNSA-N 277.368 1.745 0 50 CDAA CC(C)OCC1CCN([C@H](C)CS(C)(=O)=O)CC1 821933530 UXOGCBRQIHFJAU-GFCCVEGCSA-N 277.430 1.557 0 50 CDAA CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](O)C2 823597197 WHTNFOOXPJJLLB-LBPRGKRZSA-N 291.395 1.769 0 50 CDAA O=C(Cn1cccn1)NCCCC[C@@H]1CCCO1 584886616 JSVFSTWCDQTNIV-GFCCVEGCSA-N 251.330 1.349 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)N[C@H](C)c1cnn(C)c1 584901998 JXUCUTLGCWAVQC-MRVPVSSYSA-N 273.340 1.820 0 50 CDAA Cc1nn[nH]c1C(=O)NCCCC[C@H]1CCCO1 584889251 PNUHZMDRQBHHHB-JTQLQIEISA-N 252.318 1.192 0 50 CDAA CCOC(C)(C)C(=O)NCCN=c1cc[nH]cc1C 670441116 GBBHVOIFUSTJQB-UHFFFAOYSA-N 265.357 1.155 0 50 CDAA Cc1cc2c(nc1I)OCCN2 66054345 URBOWKKGCCRBSG-UHFFFAOYSA-N 276.077 1.799 0 50 CDAA in-vitro NCC1([C@@H]2CCCCN2C(=O)c2cnc(N)cn2)CCC1 1548588444 FXKAEJLKKBDMRL-LBPRGKRZSA-N 289.383 1.183 0 50 CDAA CC(C)(C)OC(=O)Cn1cnc2ccc(N)cc2c1=O 1875327122 ROBGDNYOOHTRFW-UHFFFAOYSA-N 275.308 1.320 0 50 CDAA OC1(Cn2cc(-c3ccc(F)cc3)nn2)CCNCC1 1875304216 DIRADYPDMKWOLQ-UHFFFAOYSA-N 276.315 1.199 0 50 CDAA CCOCCCC(=O)N1Cc2c[nH]nc2C[C@H](C)C1 1455674363 MIKKJFWFHHNLOA-NSHDSACASA-N 265.357 1.747 0 50 CDAA CCc1ncnc(N2CC[C@H](c3ncccn3)C2)c1F 952995677 UWKLUBHMQSERKQ-JTQLQIEISA-N 273.315 1.962 0 50 CDAA CCCn1c(=O)n(Cc2ccccc2)c(=O)c2nc[nH]c21 1875282270 VRTJHNNNKDSPDN-UHFFFAOYSA-N 284.319 1.345 0 50 CDAA CCSc1nccnc1C(=O)NC/C=C/C(=O)OC 1875273389 UOFCYZHUMBDAPM-SNAWJCMRSA-N 281.337 1.048 0 50 CDAA O=C(c1ccnc2[nH]ncc12)N1CC(Cc2ccco2)C1 1875295610 LBNNLCHDEHXMAT-UHFFFAOYSA-N 282.303 1.866 0 50 CDAA CCC(=O)N1CCC(C(=O)N(C)C2(COC)CC2)CC1 952973712 XZONDFTXURHMRM-UHFFFAOYSA-N 282.384 1.272 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C2CCC2)C1 958528753 UGABYRSCXBBBBQ-SMDDNHRTSA-N 270.373 1.486 0 50 CDAA C[C@@H]1COCCN1Cc1cn([C@H](C)c2ccccn2)nn1 899213371 DCLOKLPODVNDGW-CHWSQXEVSA-N 287.367 1.503 0 50 CDAA COc1nscc1CN(C)c1nnc(C)c(C)n1 1337284043 GIZVQUWTLOOOPH-UHFFFAOYSA-N 265.342 1.590 0 50 CDAA OCCOCCN1CCN(Cc2ccc(Cl)cc2)CC1 19606987 UUHJVPPMGJQSLL-UHFFFAOYSA-N 298.814 1.467 0 50 CDAA COC[C@H](C)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 171453967 STSRBXYAJVVLJX-JSGCOSHPSA-N 290.363 1.359 0 50 CDAA COc1ccc(CNC(=O)[C@H]2CCC(=O)N2C)cc1F 188157234 FARKBMJAYCKLDM-LLVKDONJSA-N 280.299 1.071 0 50 CDAA CC(C)[C@@H](CCO)NC(=O)c1cn2c(n1)C[C@H](C)CC2 585129591 ORVIYJFUHKAWQT-VXGBXAGGSA-N 279.384 1.602 0 50 CDAA Cc1ccc(CS(=O)(=O)[C@H](C)c2nnnn2C)cc1C 188940939 AIYNFBLJMASCMY-LLVKDONJSA-N 294.380 1.503 0 50 CDAA C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 408201430 FJIRRCMVBBMMDY-OBPIAQAESA-N 266.385 1.842 0 50 CDAA Cc1nccc(CCC(=O)NC[C@@H]2CCC(C)(C)O2)n1 556750411 JTKDXYJOCXSPEC-ZDUSSCGKSA-N 277.368 1.791 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNC(=O)c2csnc2C)C1(C)C 191803703 WTAQKERGLMPYFV-BXUZGUMPSA-N 298.408 1.747 0 50 CDAA COCC1(CCNC(=O)c2coc(C)n2)CCC1 647202484 ODZOLZWJVUBZGC-UHFFFAOYSA-N 252.314 1.920 0 50 CDAA C[C@H](c1ccsc1)N1CCN(Cc2nnn(C)n2)CC1 193009321 IQVMKQNIKCSCNP-LLVKDONJSA-N 292.412 1.150 0 50 CDAA Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cncnc1N 194204807 NNWXDPDXTCNWAK-SNVBAGLBSA-N 284.319 1.795 0 50 CDAA CCn1nnc(C)c1CN1CCC[C@@H](c2ccnn2C)C1 566601499 XPHXRWKXMFAHCQ-CYBMUJFWSA-N 288.399 1.720 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)NCc1cccc(CO)n1 655058358 YQRLDZCMVQTXSX-SECBINFHSA-N 289.335 1.599 0 50 CDAA CN(Cc1ccncc1)C(=O)c1conc1C(C)(C)N 568231051 KSFADPDBRGASNW-UHFFFAOYSA-N 274.324 1.536 0 50 CDAA O=C(C[C@@H]1CC1(F)F)N1CCC(N2CCOCC2)CC1 1857684227 DRFUNFBCEDAXIX-LLVKDONJSA-N 288.338 1.355 0 50 CDAA CC(C)c1nc(CNc2nc(N)c3cnn(C)c3n2)no1 1529144274 VUOJHPDNJWTGBA-UHFFFAOYSA-N 288.315 1.064 0 50 CDAA CCn1cc(CN2C[C@@H](C(=O)O)C3(CCOCC3)C2)cn1 1800410868 CMBHOKKEWBSZLY-ZDUSSCGKSA-N 293.367 1.216 0 50 CDAA O=C(O)[C@H]1CCN(CCCOCc2ccccc2)C[C@H]1O 1704307528 JEIGPJHQYUKHHS-LSDHHAIUSA-N 293.363 1.361 0 50 CDAA COc1ccc(CN[C@@H]2CCC[C@H]2O)c(OC)c1 109554305 FRYKMYDSYUUBRI-CHWSQXEVSA-N 251.326 1.707 0 50 CDAA CCC(NC(=O)[C@@H]1CCS(=O)(=O)C1)(C1CC1)C1CC1 529794690 XDSMEKKNIBDSOI-SNVBAGLBSA-N 285.409 1.506 0 50 CDAA C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Cl)s1 12443653 FJHHLFWEESHSSL-ZCFIWIBFSA-N 258.730 1.362 0 50 CDAA in-vitro CCn1cnc(CN(CCOC)Cc2cccnc2)c1 1615056674 MDYCYQAVGZIADR-UHFFFAOYSA-N 274.368 1.947 0 50 CDAA CNc1ncccc1C(=O)NC[C@](C)(O)C(F)(F)F 1615589694 GOPJEUDLRQFGGF-JTQLQIEISA-N 277.246 1.166 0 50 CDAA CCn1cccc1C(=O)N1CCc2occc2[C@@H]1C(=O)O 1615827037 WCZHIOSMUVFLPR-CYBMUJFWSA-N 288.303 1.925 0 50 CDAA CC(=O)Nc1cccc(N[C@H](C)CS(=O)(=O)N(C)C)c1 1616041475 UEWNGSQLFHEGIX-SNVBAGLBSA-N 299.396 1.337 0 50 CDAA C=CS(=O)(=O)CCN1CCO[C@](C)(c2ccccc2)C1 1616034996 JAVTUDFYRPDDAC-HNNXBMFYSA-N 295.404 1.792 0 50 CDAA N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)CSc1ccccc1 250535411 KKFPJSXCEIPIOA-GHYVTOPFSA-N 278.377 1.010 0 50 CDAA c1nc(NCc2noc([C@@H]3CCCO3)n2)c2[nH]ccc2n1 1772804518 QEMNWXTULURAAC-VIFPVBQESA-N 286.295 1.805 0 50 CDAA CNS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 16603096 XWJIGSVYLRRNQV-UHFFFAOYSA-N 270.354 1.579 0 50 CDAA Cc1nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)n[nH]1 18127365 GAWJDJNLERXJPB-SNVBAGLBSA-N 288.332 1.537 0 50 CDAA Cc1nn(C)c(C)c1CN(C(=O)[C@@H]1CCC(=O)C1)C1CC1 19148073 NXBBWLMIDFTQLK-GFCCVEGCSA-N 289.379 1.897 0 50 CDAA COc1ccc(F)cc1CN1CCOC[C@@H]1CO 168890129 HFTGMVMYBYSYPN-LBPRGKRZSA-N 255.289 1.027 0 50 CDAA CCN(Cc1ccncc1)C(=O)[C@@H]1CCc2ncnn2C1 1857668025 BPHYZQUXGILASI-CYBMUJFWSA-N 285.351 1.284 0 50 CDAA N=c1cc(-c2nccn2CCCn2cccn2)cc[nH]1 1857699322 MSRHJDTUTOJJJX-UHFFFAOYSA-N 268.324 1.644 0 50 CDAA N[C@@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 237981655 RBIASPKQHYTRIG-MRVPVSSYSA-N 272.707 1.418 0 50 CDAA COC[C@@H]1CN(C(=O)c2ccc(OC)cc2)CC(C)(C)O1 343784199 UXCRQMICGFZOKE-AWEZNQCLSA-N 293.363 1.961 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCOC1 217368188 DTLQNBTZKVETOO-USZNOCQGSA-N 267.325 1.267 0 50 CDAA NC[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](CCO)CC2)C1 331542267 XVLIEFVWLFOBAL-BFHYXJOUSA-N 283.416 1.308 0 50 CDAA C[C@@H](N)[C@@H]1CN(c2cnc(-c3ccccc3)cn2)CCO1 643017863 SBTFNDMOCSUKIK-DOMZBBRYSA-N 284.363 1.696 0 50 CDAA CC(C)(C)c1nc(CC(=O)N2CC[C@H](C(=O)O)C2)cs1 236627535 MSTBYDTZCNDQCQ-VIFPVBQESA-N 296.392 1.916 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccccc1F 239259382 ZCWNOFNGHFABLS-DUBDDPSESA-N 289.306 1.965 0 50 CDAA CN(C)CCc1ccc(C(=O)N[C@@H]2COCC2(C)C)cc1 655136432 AYZSZGNKBATVIO-OAHLLOKOSA-N 290.407 1.946 0 50 CDAA Cc1oc(-c2ccccc2)nc1CN1CCNC(=O)[C@@H]1C 263906431 HDVQICAYPHGKJJ-NSHDSACASA-N 285.347 1.970 0 50 CDAA CNc1ccc(C)cc1CN[C@]1(CO)CCOC1 902481371 CDXGETIGCYZVHJ-AWEZNQCLSA-N 250.342 1.278 0 50 CDAA CCCOc1ccnc(N2C[C@@H](F)C[C@H]2CNC)n1 905636138 OPQYCWJSMBIULQ-QWRGUYRKSA-N 268.336 1.402 0 50 CDAA CC(C)(C)OC(=O)N1CC2(CC[C@@H](CC(=O)O)OC2)C1 1857782077 MARLLIMKWYSPIB-JTQLQIEISA-N 285.340 1.877 0 50 CDAA COC(=O)c1cccc(NC(=O)CCCC(=O)O)c1C 2881538 HPBFOYSZXMUTRJ-UHFFFAOYSA-N 279.292 1.975 0 50 CDAA COc1ccc(C[C@H](C)N[C@@H]2CCCCNC2=O)cc1 4989279 WWPLVGJTGXDBAY-SWLSCSKDSA-N 276.380 1.885 0 50 CDAA CCOc1ccc(NC(=O)N2CCN(C)CC2)cc1 6699004 WHQUIXMQAOATKG-UHFFFAOYSA-N 263.341 1.865 0 50 CDAA O=C1Nc2ccccc2CC[C@@H]1N1CCC(O)CC1 236489986 BVSBJNGYHPDDJG-AWEZNQCLSA-N 260.337 1.397 0 50 CDAA CC(=O)Nc1ccc(CNC(=O)C2(N)CCC2)cc1 148120190 QBBNOIYZUMYULD-UHFFFAOYSA-N 261.325 1.143 0 50 CDAA NC(=O)c1cc(NC(=O)C2(C(=O)O)CC2)ccc1Cl 262182624 FTGPYNSWWOACMS-UHFFFAOYSA-N 282.683 1.242 0 50 CDAA Cc1noc([C@@H](C)N2CCN(Cc3cnns3)CC2)n1 289525231 GHIUSYIHPLYJAX-SECBINFHSA-N 294.384 1.108 0 50 CDAA CO[C@H]1C[C@@H](CO)N(CCOc2cc(C)ccc2C)C1 344716333 OOSAQCMMYREKMT-GJZGRUSLSA-N 279.380 1.764 0 50 CDAA O=S(=O)(CC1CCCC1)N1CCC[C@H](CCCO)C1 828748563 LTBFQXVNPFYULG-CYBMUJFWSA-N 289.441 1.991 0 50 CDAA COC(=O)[C@]1(O)CC(C(C)C)=NN1C(=O)c1ccccc1 301901 GOUIYSKCAYHCAC-OAHLLOKOSA-N 290.319 1.406 0 50 CDAA C[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 373165 JUXSIWSJJSZUKD-NSHDSACASA-N 286.331 1.541 0 50 CDAA COc1ccccc1N1CCN(C(=O)[C@H]2CCCO2)CC1 433121 SZOFGXWNOQFYJL-OAHLLOKOSA-N 290.363 1.523 0 50 CDAA CC1=CC(=O)[C@H](n2nnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 436871 QTAAHWSJWGDPBP-DGCLKSJQSA-N 299.290 1.825 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)CC2CCCCCC2)CCO1 134062325 SGOKAFMNOCZHIU-LBPRGKRZSA-N 269.341 1.659 0 50 CDAA CC1=C(C(=O)N(C)C)[C@H](c2cccs2)NC(=S)N1 2492268 LAKAAXYLSYLGIE-JTQLQIEISA-N 281.406 1.629 0 50 CDAA COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 4731685 YDZQUARJCRXYMV-NWDGAFQWSA-N 276.336 1.191 0 50 CDAA 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CTLKNGAULZXDTN-UHFFFAOYSA-N 262.313 1.650 0 50 CDAA CN(C)CCc1nnc(NC(=O)c2ccc[nH]2)s1 1506427790 NSPBRKHXOKDVEZ-UHFFFAOYSA-N 265.342 1.223 0 50 CDAA CN(C)CCc1nnc(NC(=O)[C@@H]2CC=CCC2)s1 1506427424 LGPFNBZXRAUJQA-SNVBAGLBSA-N 280.397 1.937 0 50 CDAA O=C(O)[C@H]1CCC(=O)N1C(=O)/C=C/c1ccccc1 267669 PNBJXAUJYIKDDX-LXSSAFMLSA-N 259.261 1.302 0 50 CDAA CCCn1nc(C)cc1NC(=O)[C@@H]1CCCCN1 1529173604 MZMMFOKEAMGIRO-NSHDSACASA-N 250.346 1.682 0 50 CDAA O=C(N[C@H]1COC[C@@H]1N1CCCCC1)c1ccns1 1857682930 RLWAGMIXOISEPD-QWRGUYRKSA-N 281.381 1.126 0 50 CDAA CN1CCc2cc(-c3cc(C(=O)O)ccn3)cnc21 1875240673 DMXNMEHDHWANJI-UHFFFAOYSA-N 255.277 1.834 0 50 CDAA Cc1cc(C(N)=O)c(N2CCc3n[nH]c(C)c3C2)nc1C 1704303602 LIKHRIQPQNXIRI-UHFFFAOYSA-N 285.351 1.392 0 50 CDAA O=C(C1CC1)N1CCCN(c2cccc(F)n2)CC1 152826667 NBPWWWBCVWESDJ-UHFFFAOYSA-N 263.316 1.669 0 50 CDAA COC1(C(=O)NCCc2sc(C)nc2C)CCOCC1 339948099 WFYKLJWTLBVRLO-UHFFFAOYSA-N 298.408 1.614 0 50 CDAA Cc1nc(CN(C)C(=O)Cc2cc[nH]n2)cs1 342727580 VFNXAJVMSLCGHL-UHFFFAOYSA-N 250.327 1.376 0 50 CDAA Cc1cc(NC(=O)COC[C@H]2CCCO2)sn1 564776522 WOFDUNONBGOXIV-SECBINFHSA-N 256.327 1.586 0 50 CDAA COC(=O)c1cnc(NC(=O)C[C@@H]2CCCO2)c(O)c1 1615587351 YFIYVNFGOXFWBR-VIFPVBQESA-N 280.280 1.081 0 50 CDAA OC1CCN(CCCNCc2cccn2C(F)F)CC1 1615551242 PFPWPEITOPTWAP-UHFFFAOYSA-N 287.354 1.820 0 50 CDAA CC1(C(=O)N2CCC(c3ccncn3)CC2)CCOCC1 1615589662 FTHOTALYMFHMAY-UHFFFAOYSA-N 289.379 1.999 0 50 CDAA Cc1ncc(CNC[C@@](C)(O)C(=O)OC(C)(C)C)c(C)n1 1616034113 GRIMPLAOLLOHBN-OAHLLOKOSA-N 295.383 1.276 0 50 CDAA CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)C2CC2)C1 1645663382 SSMCQXQTABYSRN-NSHDSACASA-N 276.340 1.484 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H]([C@@H]2CCOC2)C1 160749418 APOLPHXZVLQZNU-UTUOFQBUSA-N 271.357 1.641 0 50 CDAA CCc1nc(-c2ccn3nccc3c2)n(-c2cnn(C)c2)n1 1857669983 IDBYOZPSIMQOSR-UHFFFAOYSA-N 293.334 1.878 0 50 CDAA O=C(CCC(F)(F)F)N1C[C@H]2CCC[C@@H](C1)NC2 1857707450 SWVYFMONPPWBQR-UWVGGRQHSA-N 264.291 1.929 0 50 CDAA COCc1cc(NC(=O)N2CCC[C@](C)(O)CC2)ncn1 408263111 RSQZRBYDJMZTGE-AWEZNQCLSA-N 294.355 1.392 0 50 CDAA COCCCN(C)[C@@H](c1ccccc1)c1nc[nH]n1 408523699 MLNGCJQVJHDVQH-ZDUSSCGKSA-N 260.341 1.862 0 50 CDAA CCN(Cc1cnn(C)c1)c1nc(OC)ncc1Cl 225593764 MQSJSGKDHIMZJQ-UHFFFAOYSA-N 281.747 1.899 0 50 CDAA COC1CC(C(=O)N[C@@H](C(=O)O)c2ccc(F)c(C)c2)C1 630190454 QDQZMAKOPJFZRA-GCZXYKMCSA-N 295.310 1.801 0 50 CDAA O=C1CC[C@H](C(=O)Nc2ccc(Br)cc2)N1 6658229 PWFFUKWNBNUEQB-SECBINFHSA-N 283.125 1.666 0 50 CDAA in-vitro N[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2)C1 237980123 IXHBYIMZJQQWGR-LLVKDONJSA-N 268.744 1.669 0 50 CDAA Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@@H](C)C(=O)O 262232125 WXHUWZMIPDAQET-NSHDSACASA-N 299.330 1.997 0 50 CDAA Cc1nc(CC(=O)N2Cc3cccc(Cl)c3C2)n[nH]1 854473899 RHZBFJYSCUVCMK-UHFFFAOYSA-N 276.727 1.851 0 50 CDAA COc1ccc([C@@H]2C[C@H]2C(=O)Nc2nnnn2C2CC2)cc1 905847775 OCORZIIIGBKCID-QWHCGFSZSA-N 299.334 1.759 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(=N)[nH][nH]1 1857779465 WKTIUCYPEPSRPE-SSDOTTSWSA-N 253.306 1.289 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC(C)(C)c1ccc(F)cc1 859180239 WXFFQAFSLFNJNY-UHFFFAOYSA-N 292.354 1.864 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1c(O)cccc1F 119103246 JBZSRMJDRTZBGB-CYBMUJFWSA-N 255.289 1.812 0 50 CDAA Cc1nc(C)n(Cc2ccc(S(=O)(=O)N(C)C)cc2)n1 120145748 DUIRKISMWXEDES-UHFFFAOYSA-N 294.380 1.194 0 50 CDAA Cn1nccc1CN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 122896058 WGQOAFFFPSMXRI-CHWSQXEVSA-N 294.399 1.956 0 50 CDAA CCN(Cc1nc(C)no1)Cc1nnc(C)s1 299770076 OUMOSRLSNILUCK-UHFFFAOYSA-N 253.331 1.560 0 50 CDAA CN(Cc1ncc[nH]1)C(=O)c1cccc2[nH]ncc12 347533020 WPBZOMBRSIBFIU-UHFFFAOYSA-N 255.281 1.558 0 50 CDAA C[C@H]1CCNC[C@@H]1NC(=O)c1ccc(C(=O)O)cc1 521444035 LYZOWQUYZBQONA-CABZTGNLSA-N 262.309 1.113 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)o1 330652643 LNJIYWKDHUAZOI-ZETCQYMHSA-N 287.259 1.180 0 50 CDAA O=C1CC[C@@H](NCCCOC2CCCCC2)CCN1 534587731 OACKRXNOVSXZNU-CYBMUJFWSA-N 268.401 1.984 0 50 CDAA Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CC[C@H](C(=O)O)C1 718267404 NHMUBVBWKJKLED-ZJUUUORDSA-N 265.313 1.144 0 50 CDAA CC(C)Nc1nc(NC(C)C)nc(N(C)C(N)=O)n1 27676 LXCLLZBDHXHUQA-UHFFFAOYSA-N 267.337 1.027 0 50 CDAA Cc1ccnc2c(S(=O)(=O)N3CCC3)cccc12 2325782811 IPKRWZADFAOSFQ-UHFFFAOYSA-N 262.334 1.938 0 50 CDAA CN1CCC(CNC(=O)c2n[nH]cc2-c2ccncc2)CC1 2325798207 WAPTWKVGNWITSC-UHFFFAOYSA-N 299.378 1.543 0 50 CDAA Cc1c(CNC(=O)[C@H]2CCNC2=O)noc1-c1ccccc1 2325813162 RAIZMOCNRGFWGF-LBPRGKRZSA-N 299.330 1.402 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)[C@@H]1C[C@H]1C1CCC1 923198170 ULMDIJKBIVFQCM-QYKGAGETSA-N 263.337 1.648 0 50 CDAA NC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 488954 LVZWJZRNKIQVMN-UHFFFAOYSA-N 271.320 1.262 0 50 CDAA biogenic COc1cc2[nH]c(=S)n(C)c(=O)c2cc1OC 2362310 BDKPWMLICQGUCR-UHFFFAOYSA-N 252.295 1.613 0 50 CDAA Cc1c(C)c2ccc(OCc3nn[nH]n3)cc2oc1=O 2450425 XWZJNKHNVJQGNM-UHFFFAOYSA-N 272.264 1.502 0 50 CDAA CCS(=O)(=O)C[C@@H](C(C)(C)C)S(=O)(=O)CC 2913669 DIYZADIVUHSIHI-VIFPVBQESA-N 270.416 1.271 0 50 CDAA CCOC(=O)c1cc(N)ccc1N1CCOCC1 4386089 SBUGHIJRDDBFNY-UHFFFAOYSA-N 250.298 1.282 0 50 CDAA COCCNC(=O)c1nc(-c2cccs2)no1 6742818 JLUKRAUBXGHIRF-UHFFFAOYSA-N 253.283 1.174 0 50 CDAA CCn1c(=O)c2cc(Br)ccc2n(CC)c1=O 9935433 JIBHWPGZBNVHQI-UHFFFAOYSA-N 297.152 1.966 0 50 CDAA CCc1nnc(CN2CCC[C@H]2[C@H]2CCCN2C(C)=O)o1 247955375 SGQFCBLMQWEHJQ-QWHCGFSZSA-N 292.383 1.607 0 50 CDAA CC(=O)NC(C)(C)c1noc(CN2[C@H](C)CC[C@H]2C)n1 347216778 MPQMDZHLHGFYBD-NXEZZACHSA-N 280.372 1.814 0 50 CDAA O=C(CCN1Cc2ncccc2C1=O)Nc1nccs1 65396758 YHQOHQIDPSCKJZ-UHFFFAOYSA-N 288.332 1.523 0 50 CDAA COc1cc(-c2nc(C(N)=O)cs2)cc(OC)c1OC 67855326 VZEJSYKXGQLPRA-UHFFFAOYSA-N 294.332 1.935 0 50 CDAA C[C@H](C(=O)N(C)C)N1CCC[C@@H](c2noc(C3CC3)n2)C1 229302867 CGDIAVIVVHTMEA-ZYHUDNBSSA-N 292.383 1.603 0 50 CDAA COC(=O)[C@H](NC(=O)c1cc[nH]n1)c1cccc(C)c1 67856063 KJMPYKKDZRQYJP-GFCCVEGCSA-N 273.292 1.362 0 50 CDAA O=C(c1ccoc1)N1CCC(N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 121142682 SQSYSEIGZHJXRT-KFWWJZLASA-N 290.363 1.794 0 50 CDAA CCCN1C[C@@H](C(=O)N2CCC[C@H](C)C2)CC1=O 33359486 QDMZJYKDDLDBKS-RYUDHWBXSA-N 252.358 1.503 0 50 CDAA CO[C@@H](C(=O)N(C)C[C@@H]1CCCN1C)c1ccc(O)cc1 331232273 AFXRUNVJNDXZMU-DZGCQCFKSA-N 292.379 1.632 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)c1cccc(-n2cncn2)c1 122217721 XZKPBWZSBCLWKJ-SWLSCSKDSA-N 299.378 1.609 0 50 CDAA CCOC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 34429721 ZNKFBXONLAWNSJ-JTQLQIEISA-N 273.329 1.576 0 50 CDAA C[C@@H]1OCC[C@H]1[S@](=O)Cc1ncnn1C(C)(C)C 328841214 ZKEGYKTTZWFLLC-XVYUCKLSSA-N 271.386 1.459 0 50 CDAA C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1ccc(C(F)(F)F)cn1 284022115 NSUGGMVWTRBLEL-SFYZADRCSA-N 297.298 1.785 0 50 CDAA CCc1nn(C)c(Cl)c1CN1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 217106819 AIBYLCOEXUFNCF-VROVMSAKSA-N 283.759 1.398 0 50 CDAA Cc1csc(SCC(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)n1 219879249 CILVUTSNEDNLBK-BBBLOLIVSA-N 284.406 1.837 0 50 CDAA C[C@@H](CC(C)(C)C)NC(=O)N1CC(=O)N(C2CC2)C1 331749928 FXFIYNAZXNBJPZ-JTQLQIEISA-N 267.373 1.785 0 50 CDAA Cc1cncc(C(=O)N2CCC[C@@H](n3ccnn3)C2)c1 332249004 CARQXDNYWQFRGS-CYBMUJFWSA-N 271.324 1.459 0 50 CDAA Cc1ccncc1N1CCN(C(=O)c2cnns2)CC1 332415313 LZOQVZRYNWBASE-UHFFFAOYSA-N 289.364 1.204 0 50 CDAA CCc1cccc(OCCN2C[C@H](OC)C[C@H]2CO)c1 284754408 ZGAVRVGRWCKQLC-GOEBONIOSA-N 279.380 1.709 0 50 CDAA CO[C@H]1CCC[C@H]1CNC(=O)CCc1cnccn1 332936554 LBSCVYHKWNZBCB-AAEUAGOBSA-N 263.341 1.341 0 50 CDAA CCOC(=O)Nc1ccc(-n2cnnn2)cc1OC 30952975 OTYLJQYTSWKXGS-UHFFFAOYSA-N 263.257 1.239 0 50 CDAA CN(C(=O)NCCCO[C@H]1CCOC1)C1CCC1 128072209 NNZMMUBCIJNVNK-LBPRGKRZSA-N 256.346 1.376 0 50 CDAA Cc1nc2ccnn2cc1C(=O)N1CCOC[C@@H]1C1CC1 333592206 SXDSHNRBBMEFBY-CYBMUJFWSA-N 286.335 1.289 0 50 CDAA O=C1NCCN1C1CN(c2ncncc2-c2ccccc2)C1 333726607 SLFZPNJHYASSML-UHFFFAOYSA-N 295.346 1.357 0 50 CDAA Cn1nnc(CNC(=O)N2CCC=C(c3ccccc3)C2)n1 375133869 KFQCTNQFPYUESU-UHFFFAOYSA-N 298.350 1.209 0 50 CDAA C[C@@H](C(=O)O)N1CCN(c2cc(F)ccc2F)CC1 237508342 VHNSOMLGZMGWNH-VIFPVBQESA-N 270.279 1.560 0 50 CDAA Cn1ncc2c1CCCN(C(=O)c1n[nH]c3ccccc13)C2 334012190 WBBQNLTWJKNYFR-UHFFFAOYSA-N 295.346 1.885 0 50 CDAA CC(C)C[C@@H]1COCCN1Cc1cnc(N(C)C)nc1 216326454 PUEGRIDOPKHTJA-CQSZACIVSA-N 278.400 1.790 0 50 CDAA CN1CCO[C@@H]2CN(C(=O)C3CCC(F)(F)CC3)C[C@@H]21 130323135 WECKDFWACSKWDL-NWDGAFQWSA-N 288.338 1.353 0 50 CDAA CNC(=O)[C@H]1CCCCN1Cc1n[nH]c(C)c1Cl 216335812 DPDLKVSHMUNDCO-SNVBAGLBSA-N 270.764 1.472 0 50 CDAA CC[C@@H](NC(=O)c1cnc(C)cn1)c1ccnn1C 223849534 VRAQUMLQMNOODB-SNVBAGLBSA-N 259.313 1.400 0 50 CDAA O=C(NCC1(C2CC2)CCC1)N1CCC2(C1)OCCO2 133124137 UNNYMQBTNLMYNH-UHFFFAOYSA-N 280.368 1.725 0 50 CDAA Cc1nccn1CCN(C)C(=O)CCC(F)(F)F 222842138 COCLHVSAKZURRG-UHFFFAOYSA-N 263.263 1.992 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccc3nccn3c2)[C@@H]1CN 179223495 MXNUFPGUPSUPEG-WCQYABFASA-N 272.352 1.534 0 50 CDAA COCCN1C[C@H](Cc2ccccc2CO)CC1=O 220515418 DUWKXYWTSUDBGD-GFCCVEGCSA-N 263.337 1.216 0 50 CDAA Cc1[nH]c2ncnc(NC(=O)Cn3cccn3)c2c1C 182647098 XXPBUIAFRPQCDB-UHFFFAOYSA-N 270.296 1.410 0 50 CDAA CCC[C@@H](NC(=O)c1cccnc1NC)C(=O)O 426478152 RZKJQWVUWOAEBO-SECBINFHSA-N 251.286 1.106 0 50 CDAA Cc1nc(O)c(C(=O)N[C@H]2C[C@H](C(=O)O)C2)c(C)c1C 426518953 KLKZCXKPCOJSKU-MGCOHNPYSA-N 278.308 1.305 0 50 CDAA CC(C)(C)OC(=O)NC[C@H]1CCC(F)(F)CN1 230570319 KYNZGIOKUKGMCY-MRVPVSSYSA-N 250.289 1.898 0 50 CDAA CN(C)C(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 230275853 GVVSJSMXQIKXQN-JRPNMDOOSA-N 266.385 1.796 0 50 CDAA Cc1nnc(NCCc2noc([C@@H]3CCCO3)n2)o1 95374590 CJTRLJBAYLFURA-QMMMGPOBSA-N 265.273 1.267 0 50 CDAA CC(C)c1nc(CN2CCOC[C@@H]2CC(=O)O)co1 97334211 QQYBNBFCMHJKRQ-NSHDSACASA-N 268.313 1.474 0 50 CDAA CN(Cc1cn[nH]c1C(=O)O)C[C@H]1CCCCO1 97759492 WFBWMXRZXGIHEB-SNVBAGLBSA-N 253.302 1.109 0 50 CDAA CCC[C@@H]1CN(c2nc(N(C)C)ns2)C[C@H]1C(=O)O 91914873 SERPGRRYZJARKE-RKDXNWHRSA-N 284.385 1.541 0 50 CDAA C[C@H](c1nc(-c2cccnn2)no1)n1cc(Cl)cn1 95519909 DRVSVTVUEJLHMG-SSDOTTSWSA-N 276.687 1.986 0 50 CDAA COCCN1CCC[C@H](c2nc(-c3cccnn3)no2)C1 95516938 JZWZXUMGQBDPHY-NSHDSACASA-N 289.339 1.352 0 50 CDAA O=C(NCc1ccc2nonc2c1)[C@H]1CCCNCC1 534663970 ZNPKMDWGTSMXSE-NSHDSACASA-N 274.324 1.229 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)c1ccc(F)c(C)c1 534650014 BXFPUVUQZDIIOB-STQMWFEESA-N 267.300 1.668 0 50 CDAA Cc1csc(C2(NC(=O)[C@H]3C[C@H]3C(=O)O)CCC2)n1 268927457 WRITVEDFWRPFET-DTWKUNHWSA-N 280.349 1.668 0 50 CDAA CCc1noc(C)c1C(=O)N1CC[C@@H](c2nc(C)no2)C1 299781658 RRBSAXCVDVGWJA-SNVBAGLBSA-N 290.323 1.867 0 50 CDAA CCCc1cc(C(=O)NC[C@H](C)CN(C)C)n[nH]1 644810280 FFODGLXHEWGFGY-JTQLQIEISA-N 252.362 1.290 0 50 CDAA Cc1nc[nH]c1CC(=O)N1CCC(C2(O)CC2)CC1 652660649 SXJBWXKLVFQTIM-UHFFFAOYSA-N 263.341 1.024 0 50 CDAA CC(C)c1ccc(C(=O)N[C@H](C)c2nncn2C)c(O)n1 828166444 IOKDRZYPKUVCCI-SECBINFHSA-N 289.339 1.530 0 50 CDAA Cc1ccc(C)c(OCCNC(=O)N2CC[C@@H](N)C2)c1 826951604 GYUSMKVLMAHXJB-CYBMUJFWSA-N 277.368 1.425 0 50 CDAA OC1(CN2CCCC2)CCN([C@@H]2CCCOC2)CC1 828605355 PNXQWRYHXLSHRN-CQSZACIVSA-N 268.401 1.088 0 50 CDAA CCCc1nc(N2CCN(C(=O)C3CCC3)CC2)no1 670470867 YYGMEIQLJOMAGY-UHFFFAOYSA-N 278.356 1.471 0 50 CDAA CC[C@H](C)Cc1nc(CNC(C)=O)n(-c2cccnc2)n1 670472310 RVNKFJMAJUWHFY-NSHDSACASA-N 287.367 1.887 0 50 CDAA CN1C[C@@H](CN(C)c2ncc(Cl)cn2)CC1=O 670441022 FTJJEZXUZAWGNF-QMMMGPOBSA-N 254.721 1.045 0 50 CDAA COc1ccnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1 547958605 LOEFMKVRKIQULX-NSHDSACASA-N 278.356 1.178 0 50 CDAA CS(=O)(=O)NC(=O)CCc1ccc(OC(F)F)cc1 1875390248 PXLRLCOHRXCECJ-UHFFFAOYSA-N 293.291 1.296 0 50 CDAA O=C(CN1CCc2sccc2C1)N[C@H]1CC12CC2 1875266396 LHHOROOWGFZJEX-LBPRGKRZSA-N 262.378 1.775 0 50 CDAA COc1cn(C)nc1[C@@H](C)Nc1ccc(NC(C)=O)cn1 1875285572 QZSHXISPUHVYEO-SECBINFHSA-N 289.339 1.955 0 50 CDAA C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)C2CCC2)CC1 952977449 VPHQRJCDGWJNLD-LBPRGKRZSA-N 295.427 1.091 0 50 CDAA Cc1nc(CN[C@@H](C)CN2CCCCCC2)n[nH]1 952869137 XOWGHKPDGWPHSQ-NSHDSACASA-N 251.378 1.467 0 50 CDAA Cc1cccnc1C(=O)N[C@]1(c2ncc[nH]2)CCOC1 886094210 UOVAMNHKJGKSKI-CQSZACIVSA-N 272.308 1.159 0 50 CDAA CN(C)[C@@H]1C[C@H](NC(=O)c2cc(C(=O)O)ccn2)C1(C)C 887557246 DYJITFSEOAVDEH-NWDGAFQWSA-N 291.351 1.238 0 50 CDAA CCOC(=O)[C@@H](C)Sc1ncnc2nc[nH]c12 4715055 QVAYDLOUQXOGFH-ZCFIWIBFSA-N 252.299 1.397 0 50 CDAA CC(C)CN(Cc1ccccn1)c1nccn2nnnc12 895860292 UJVQQHYQIIKSNI-UHFFFAOYSA-N 283.339 1.577 0 50 CDAA C[C@@H](CNC(=O)Nc1cnn[nH]1)N1CCc2ccccc21 1775986607 AONGXWFGFKCCCE-JTQLQIEISA-N 286.339 1.377 0 50 CDAA COc1cccc([C@@H](C)C(=O)N2CCCC2(CO)CO)c1 1775994387 FQCYAZBSFHRIDF-GFCCVEGCSA-N 293.363 1.145 0 50 CDAA CC(C)C(C)(C)CS(=O)(=O)NCCc1cn[nH]c1 1463817404 RAFGIZVICWYZQU-UHFFFAOYSA-N 273.402 1.554 0 50 CDAA Cc1cc(C(=O)NC2=NO[C@@H](C)C2)cc(Cl)n1 275398841 ZJRKCODEJORSMV-ZETCQYMHSA-N 253.689 1.896 0 50 CDAA CC[C@H]1CC[C@H](C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)O1 275493245 ZYMRUUMIXWKBIT-RVMXOQNASA-N 293.367 1.324 0 50 CDAA Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccco3)C2)n[nH]1 275472541 MELWNOFBRYMLOC-SNVBAGLBSA-N 296.352 1.274 0 50 CDAA CN(Cc1ncccn1)[C@H]1CCN(C(=O)c2ccoc2)C1 275977461 NYZRAQANFOXSJG-ZDUSSCGKSA-N 286.335 1.416 0 50 CDAA CCO[C@@H]1C[C@](O)(CNc2nccc(OC)n2)C1(C)C 276429790 BABZZHDTTKTPBD-YGRLFVJLSA-N 281.356 1.463 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)Nc2c(F)cccc21 276914732 QXFJQSSDDUPHIQ-VHSXEESVSA-N 292.310 1.926 0 50 CDAA CC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc3c(c2)OCO3)C1 91625695 GHHQGDSMFGSEKP-WDEREUQCSA-N 277.276 1.062 0 50 CDAA O=C(NCc1ccnc(OCC(F)F)c1)C1CCNCC1 170070831 LOTNDYIVPKZLSG-UHFFFAOYSA-N 299.321 1.341 0 50 CDAA COc1cccc(CC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1 1074623952 FOBYTMJLVJDOAC-BFHYXJOUSA-N 261.321 1.531 0 50 CDAA COC[C@H]1[C@@H](NC2CSCCSC2)[C@H]2CCO[C@H]21 1074602334 YVXKFYDCFKNPNP-MROQNXINSA-N 289.466 1.475 0 50 CDAA COc1nccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)n1 278515410 BVPYYMAOCQUAHK-MNOVXSKESA-N 292.339 1.564 0 50 CDAA CCOC(=O)[C@@H]1C(=O)CCCN1C(=O)OC(C)(C)C 100050946 GEBLXHUPYRYFEX-JTQLQIEISA-N 271.313 1.518 0 50 CDAA in-vitro Cc1c[nH]cc1C(=O)NCCC(=O)Nc1ncccc1C 585087979 FGVIZJYFQFKTKZ-UHFFFAOYSA-N 286.335 1.785 0 50 CDAA COc1cc(C(=O)Nc2[nH]c(=O)ncc2F)ccc1Cl 170605912 OKMRFICOCBHRPA-UHFFFAOYSA-N 297.673 1.823 0 50 CDAA Cc1n[nH]cc1CN1C(=O)[C@H]2Cc3ccccc3CN2C1=O 170613932 GSYVEYKSVWMFDA-CQSZACIVSA-N 296.330 1.607 0 50 CDAA CCN1CCN(C(=O)NCc2nccn2C(F)F)CC1 170692177 VOGSAEVQMZSXQQ-UHFFFAOYSA-N 287.314 1.125 0 50 CDAA CCc1c(C(=O)N2CCN[C@H](C)C2)cnn1-c1ccccc1 188416126 MCMJGODHLBHNNA-CYBMUJFWSA-N 298.390 1.869 0 50 CDAA CO[C@@H]1CCCN(C(=O)NCCc2nccs2)C1 171242023 POARVRGFYIMWMI-SNVBAGLBSA-N 269.370 1.506 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)N1CC(=O)N(CC2CC2)C1 408474924 YUEDIDOGLNIFOC-OLZOCXBDSA-N 280.368 1.230 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)NCCc1ccnn1C 408474264 NOSWEUHUZIFXPB-CHWSQXEVSA-N 265.357 1.284 0 50 CDAA Cc1nnnn1Cc1cnc(Br)s1 408522924 FAJUPXIGGFMHAT-UHFFFAOYSA-N 260.120 1.249 0 50 CDAA O=CN1CCC[C@H]1C(=O)N1CCOC2(CCCCC2)C1 408524125 YDBFTSDXJDDDGJ-ZDUSSCGKSA-N 280.368 1.169 0 50 CDAA COC[C@](C)(CO)NCCC(=O)Nc1cccc(F)c1 639955870 SPIXGSZHZZUKBR-AWEZNQCLSA-N 284.331 1.141 0 50 CDAA CC(C)(C)c1cc(CN2CCC[C@](O)(CC(N)=O)C2)no1 643808130 RNHFOILVMJGYHL-HNNXBMFYSA-N 295.383 1.174 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)Cc2cccnc2)C1(C)C 191699027 NLPUFNDFJAOHRT-XJKSGUPXSA-N 292.379 1.306 0 50 CDAA CCc1cc(N(C)Cc2ccc(N)nc2)nc(C)n1 195572340 CLJXBROGYQPGSQ-UHFFFAOYSA-N 257.341 1.961 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1 567051838 AHHNHGZJQOVZKM-FRRDWIJNSA-N 290.319 1.092 0 50 CDAA O=C(O)[C@@H]1CC[C@H](C(=O)NCCc2ccco2)N1C1CC1 663229250 WVHJANGSVIXIED-OLZOCXBDSA-N 292.335 1.018 0 50 CDAA CCc1cccc2cc(CN3C[C@@H](O)C[C@H]3CO)oc12 667981718 WCVIQCMFEJTYDT-KBPBESRZSA-N 275.348 1.923 0 50 CDAA CS(=O)(=O)C1CN(c2cnc3cc(F)c(F)cc3n2)C1 669825742 DWMROSOUMAIQDD-UHFFFAOYSA-N 299.302 1.141 0 50 CDAA Cn1ccnc1NC(=O)Cc1ccc2c(c1)OCO2 1506414637 HFIBZSHEAXDOCF-UHFFFAOYSA-N 259.265 1.330 0 50 CDAA Cc1cc(CC(=O)N2CCN3CC[C@H]2C3)cc(C)n1 1857684528 ROIWXQVGSVYSQC-AWEZNQCLSA-N 259.353 1.157 0 50 CDAA CCCn1ncnc1-c1ccc2c(c1)CN(C)C2=O 1875243418 GOKFPSDTXTWAEU-UHFFFAOYSA-N 256.309 1.941 0 50 CDAA Cc1nc2cc(-c3ncn(CC(=O)O)n3)ccc2s1 1875244999 FZLVDGILXQBFHQ-UHFFFAOYSA-N 274.305 1.948 0 50 CDAA C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN[C@H](C)C1 237426987 ACWTUKHACZLNOO-XQQFMLRXSA-N 254.374 1.402 0 50 CDAA Cc1nc(C2(NC(=O)CN(C)C)CCCCCC2)no1 613323245 WALHRQZIRXPLCB-UHFFFAOYSA-N 280.372 1.605 0 50 CDAA Cn1nc(C2CC2)cc1CNC(=O)[C@@H]1C[C@@H]2C[C@@H](N)[C@@H]2C1 1615550485 XUXBHUYFKXWUBI-HBJVGIJOSA-N 288.395 1.287 0 50 CDAA C[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)nc1 1615550004 PEZFUKZRBGLGKR-SECBINFHSA-N 272.370 1.038 0 50 CDAA CCc1ncnc(NCc2cncc(C(=O)OC)c2)c1F 1615586289 SSWUSNRBZNVAPQ-UHFFFAOYSA-N 290.298 1.972 0 50 CDAA Cn1cc(C(=O)N2CCO[C@@H](c3ccccc3)CC2)nn1 1615614738 IQJAQOXZQMVGMR-CQSZACIVSA-N 286.335 1.419 0 50 CDAA COc1cccc2c1CC[C@@]2(N)C(=O)N(C)C1CCC1 1615613491 AGXNHVUWSSIQGI-INIZCTEOSA-N 274.364 1.806 0 50 CDAA O=C(c1ccccc1-n1cccn1)N1C[C@H](O)[C@@H](F)C1 1616099171 WYPWQQVICWDLCI-AAEUAGOBSA-N 275.283 1.027 0 50 CDAA CCNC(=O)C1(NC(=O)c2cscn2)CCCC1 241126158 JJWQOUAVNCMCSA-UHFFFAOYSA-N 267.354 1.322 0 50 CDAA C[C@@H](N)C(=O)N(CCN(C)C)Cc1ccccc1F 157674427 JPGMCEAQEJASBB-LLVKDONJSA-N 267.348 1.063 0 50 CDAA C[C@@H]1CN(C(=O)CCN)C[C@H](c2ccc(F)cc2)O1 161561982 QCIYYPGCUWECFW-ZWNOBZJWSA-N 266.316 1.463 0 50 CDAA O=C1NCCc2ccc(-n3ccnc3-c3cnc[nH]3)cc21 1772816211 ISEQYGTYMQFEBX-UHFFFAOYSA-N 279.303 1.548 0 50 CDAA CCOC(=O)Cc1cc(=O)oc2cc(C)cc(O)c12 1772715379 DSBRWHBXYYFRPY-UHFFFAOYSA-N 262.261 1.913 0 50 CDAA OCCOc1ccc(CNC[C@@H]2CCCO2)cc1 13730999 XUNRLURNFSLDIN-AWEZNQCLSA-N 251.326 1.326 0 50 CDAA CC[C@]1(CCC(=O)N(C)C[C@H]2CCCCO2)CCC(=O)N1 14882622 WVADRYXZCIQEFS-CZUORRHYSA-N 296.411 1.853 0 50 CDAA O=C1C[C@H](c2ncc(-c3cccnc3)[nH]2)CN1C1CC1 19634399 SRGBOOZMRHRWJE-NSHDSACASA-N 268.320 1.950 0 50 CDAA CCC(CC)CN1CCC(Cn2cc(CO)nn2)CC1 19758647 KYKDYUOBPSNSNN-UHFFFAOYSA-N 280.416 1.919 0 50 CDAA CN(Cc1ccncn1)C(=O)CCc1[nH]nc2c1CCCC2 19795061 MSHFIYALNZRWNR-UHFFFAOYSA-N 299.378 1.670 0 50 CDAA CCCn1nc(CC(N)=O)nc1-c1nc2ccccn2c1C 1857668002 CLIBGXHUJVBAJS-UHFFFAOYSA-N 298.350 1.339 0 50 CDAA CN1CCC(N(C)C(=O)c2ccc3c[nH]nc3n2)CC1 1857688255 ZIKHBHDSEVEGAK-UHFFFAOYSA-N 273.340 1.124 0 50 CDAA CN1C(=O)CCO[C@H]2CN(c3ncc(Cl)cc3F)C[C@@H]21 1857715388 PCUWNWSNLXKJIW-QWRGUYRKSA-N 299.733 1.310 0 50 CDAA CCN1CC[C@@H](n2ccnc2-c2cnc(N(C)C)nc2)C1 1857733710 VSHMYMHMJPIKHV-CYBMUJFWSA-N 286.383 1.673 0 50 CDAA CN(c1nccc(-c2cnccn2)n1)[C@H]1CC[C@H](O)CC1 649339745 PTAFNJQVXWLNQJ-HAQNSBGRSA-N 285.351 1.673 0 50 CDAA Cn1nccc1C(=O)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653330708 IXTSDVOGGLQVLY-NEPJUHHUSA-N 285.303 1.463 0 50 CDAA CN(C)C(=O)[C@H]1CC[C@H](N)[C@H](NC(=O)OC(C)(C)C)C1 138693248 JCHIBKSSZNWERE-GARJFASQSA-N 285.388 1.095 0 50 CDAA in-vitro C[C@@H](O)C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1 252509221 YGLUIRSEOGORPE-SECBINFHSA-N 289.360 1.937 0 50 CDAA c1ccc(-c2cc(NCCN3CCOCC3)ncn2)cc1 19794070 JWIUZAADLWNKTB-UHFFFAOYSA-N 284.363 1.888 0 50 CDAA O=C(N[C@]1(C(=O)O)CCc2ccccc21)[C@@H]1CCCCO1 677849656 JXUNPSWMUCIURQ-XJKSGUPXSA-N 289.331 1.598 0 50 CDAA Cc1n[nH]cc1C(=O)N1CCC[C@]1(CO)Cc1ccccc1 365166305 YALDUTLMICYALI-QGZVFWFLSA-N 299.374 1.928 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1cnn(C(C)C)c1 692405767 PRUVUNZRIDXVGS-AWEZNQCLSA-N 281.356 1.530 0 50 CDAA 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277.368 1.494 0 50 CDAA c1cn2c(n1)CC[C@@H](CNC1CCSCC1)C2 328633436 LZXTUZSSHSIGHR-NSHDSACASA-N 251.399 1.931 0 50 CDAA C[C@@H](CN1CCOCC1)NCCCOC1CCCC1 534576172 XONIFXAMMKOTEJ-AWEZNQCLSA-N 270.417 1.646 0 50 CDAA CN(C)CC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 337274432 DDEFZSPSVGIIOG-UPJWGTAASA-N 254.374 1.090 0 50 CDAA Cc1ccc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)s1 96137328 STPMWEJWBFLFOO-CMPLNLGQSA-N 255.339 1.014 0 50 CDAA O[C@@H]1CCC[C@H]1N1CCN(CCc2ccccc2)CC1 363437763 WOKSUNPBRCARBP-IAGOWNOFSA-N 274.408 1.760 0 50 CDAA Cc1cc(O)nc(CCNC2CSCCSC2)n1 584898163 VDJAJWUQNIDDAH-UHFFFAOYSA-N 285.438 1.471 0 50 CDAA O=C(NC1(CO)CCCCCC1)[C@H]1CC12CCNCC2 584895284 ZLIGQMBNNAQZJY-CYBMUJFWSA-N 280.412 1.578 0 50 CDAA OC[C@H]1CCCCN1C(=S)NCc1ccccc1 110318 PWSLKNUXAFTQAB-CYBMUJFWSA-N 264.394 1.908 0 50 CDAA CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccco1 132824 QJRGDPYBPDVRRO-LLVKDONJSA-N 274.280 1.723 0 50 CDAA O=C(NCc1ccccn1)[C@@H]1COc2ccccc2O1 268851 YOVSOFKGKFNGOL-AWEZNQCLSA-N 270.288 1.538 0 50 CDAA 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C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](C)[C@@H]1CN 247331799 VEETYBIGFIDZMU-AJNGGQMLSA-N 298.427 1.546 0 50 CDAA O=C(O)CCCN1CCN(C(=O)CC2CCCCC2)CC1 116390179 ALNZDGHTGDHYMD-UHFFFAOYSA-N 296.411 1.966 0 50 CDAA COC[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)[C@@H]1CCCO1 345526280 RMNNWLACMBWYIK-PEDHHIEDSA-N 265.353 1.509 0 50 CDAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCOCC1 248153260 UWQPYIMAIHCPBB-UONOGXRCSA-N 266.385 1.498 0 50 CDAA CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@H](C)OC 248143588 CVIZYKPQJFKNKM-MJBXVCDLSA-N 268.401 1.887 0 50 CDAA CC(C)Cc1noc(CN(C)c2cc(N(C)C)ncn2)n1 65394317 NKHYWZSIRRRBDJ-UHFFFAOYSA-N 290.371 1.761 0 50 CDAA COc1cc(NCCCc2csc(N)n2)ncn1 65535226 DOQMOXSHFMPSJW-UHFFFAOYSA-N 265.342 1.569 0 50 CDAA Cc1cc(=O)c2cccc(-n3cc(CCO)cn3)c2[nH]1 65376430 CHQCOVKAXCTPMN-UHFFFAOYSA-N 269.304 1.557 0 50 CDAA CCc1nnc(CNC(=O)c2cnn(CC)c2C)s1 65526640 RAPZXJKGAWMJIR-UHFFFAOYSA-N 279.369 1.555 0 50 CDAA CNC(=O)C[C@H](C)N(C)C(=O)Cc1nc(C)sc1C 67789142 OKLKUWVWBXSKKR-QMMMGPOBSA-N 283.397 1.285 0 50 CDAA Nc1ccc2c(ncn2CCO)c1C(=O)c1ccccc1 22023394 JZMJLHBAZXCQRF-UHFFFAOYSA-N 281.315 1.842 0 50 CDAA COc1ccc(C[C@H](C)N2CCC(C(N)=O)CC2)cc1 23282800 IYVDVINPGQXXBD-LBPRGKRZSA-N 276.380 1.824 0 50 CDAA CCn1nccc1CN(C)CCN1CCOC[C@H]1C 352339885 BKLNUXWUWVIWQK-CYBMUJFWSA-N 266.389 1.056 0 50 CDAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)NC(=O)NC1CC1 242191449 XFOVAHPTPXAMRY-NEPJUHHUSA-N 279.384 1.487 0 50 CDAA CO[C@@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1 218500705 MVOXKOWEBWEABD-SECBINFHSA-N 255.701 1.907 0 50 CDAA CC(C)c1noc(CCCNC(=O)[C@H]2CCCCO2)n1 121635819 NBEHVVQPEXPPRD-LLVKDONJSA-N 281.356 1.811 0 50 CDAA CN(C[C@H]1Cc2ccccc2O1)C(=O)c1cccc(N)n1 215911861 AJOOUGZTVACXKY-GFCCVEGCSA-N 283.331 1.740 0 50 CDAA O=C(NCc1ccno1)c1cccc(Cn2ccnc2)c1 355762687 DISQLFZYNUIFKP-UHFFFAOYSA-N 282.303 1.849 0 50 CDAA CCN(Cc1ccccc1Cl)C(=O)C[C@@H](CN)CO 328598968 PLRADECFYALMFL-NSHDSACASA-N 284.787 1.646 0 50 CDAA C[C@@H]1CN(C[C@H](O)COC(C)(C)C)C[C@@H](C2CC2)O1 328588935 TYKXEXRPCVAGGK-XBFCOCLRSA-N 271.401 1.662 0 50 CDAA Cc1cc(=NC[C@@H]2CCN(C)[C@H]2c2cccnc2)[nH]cn1 328628382 NSEMYCSSBRKBMV-HOCLYGCPSA-N 283.379 1.707 0 50 CDAA CCN(Cc1noc(CC(C)C)n1)C(=O)c1cn[nH]n1 72156606 XXNGIJBGHNTHIW-UHFFFAOYSA-N 278.316 1.049 0 50 CDAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)[C@@H]2C[C@H]2C2CC2)C1 329004630 YKGNGZPQQUKAMH-KXNHARMFSA-N 276.340 1.139 0 50 CDAA CCCO[C@H]1CCCN(C2CCN(C(C)=O)CC2)C1 32540637 GJHPDGHSLDFOFQ-HNNXBMFYSA-N 268.401 1.888 0 50 CDAA CCOC(=O)CN1C(=O)N(C)C(=O)[C@]1(C)c1ccccc1 71771821 YEKBVKXYPGEQQX-HNNXBMFYSA-N 290.319 1.359 0 50 CDAA C[C@H]1CCN(C(=O)c2cccc(C(N)=O)c2)[C@@H](C(=O)O)C1 125012825 GELFSLHJYHUMNM-JOYOIKCWSA-N 290.319 1.111 0 50 CDAA COCc1cnc(NC(=O)[C@@H]2CN(C(C)C)CCO2)s1 367625643 AWRLTQHCKNEJEO-NSHDSACASA-N 299.396 1.337 0 50 CDAA CCCn1cnnc1CN(C)Cc1cccc2nonc12 215948285 ZBKMPAPLJATDSW-UHFFFAOYSA-N 286.339 1.856 0 50 CDAA COc1ccc2nc(CCN(C)C(=O)c3cn[nH]c3)[nH]c2c1 215083767 PISQEQUVIAMVBI-UHFFFAOYSA-N 299.334 1.609 0 50 CDAA O=C(NCc1ncccc1F)c1cccnc1S 157431105 LLOKIGYCZUTEFA-UHFFFAOYSA-N 263.297 1.834 0 50 CDAA CCO[C@H](C(=O)N1CCO[C@H](C(=O)O)C1)c1ccccc1 262199778 ZVEIQZNFPCXGBT-STQMWFEESA-N 293.319 1.076 0 50 CDAA COCc1noc(CCNC(=O)c2ccsc2)n1 78774773 XNZIUTBEOUENJC-UHFFFAOYSA-N 267.310 1.250 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CCNC[C@H](CC(=O)O)C1 71765087 VRPYBWVWYKGGIU-NSHDSACASA-N 294.326 1.270 0 50 CDAA COc1ccc([C@@H](C)CC(=O)N2CC[C@@H](N)C2)cc1 237172995 LMGFBHHYLFIIHD-WCQYABFASA-N 262.353 1.748 0 50 CDAA Cc1ccc2ncc(CN3CCN(C)S3(=O)=O)cc2c1 333575519 SQFQFIFMEXVTMH-UHFFFAOYSA-N 291.376 1.535 0 50 CDAA Cc1nc(-c2ccncc2)cc(N2CC[C@@](F)(CO)C2)n1 374639817 VSOSWJKVCNMSDW-HNNXBMFYSA-N 288.326 1.758 0 50 CDAA CO[C@@](C)(C(=O)N1CCn2nccc21)c1ccccc1F 375577693 KZVNBNYPMJUSDP-OAHLLOKOSA-N 289.310 1.931 0 50 CDAA CC(=O)N1CC(Nc2ccc(C(=O)O)cc2)=CC1=O 217966786 CFQNVWMGRSDECS-UHFFFAOYSA-N 260.249 1.069 0 50 CDAA biogenic CCCCOCC(=O)N[C@H](CC)c1cnn(C)c1 219227886 PMSDVLNCBZXRCN-GFCCVEGCSA-N 253.346 1.804 0 50 CDAA O=S(=O)(Cc1ccccc1Cl)N[C@H]1CCCNC1 237892411 ARGNSZYAJPWYRZ-NSHDSACASA-N 288.800 1.511 0 50 CDAA C/C=C/CN1CCN(Cc2ccccc2)C[C@@H](O)C1 216918220 WDSROIIQWISPAJ-KZSQQDEKSA-N 260.381 1.741 0 50 CDAA O=C(NC1(C(=O)O)CC1)c1ccc(-n2cccn2)c(F)c1 237979659 TXXQDJLHSOZCSH-UHFFFAOYSA-N 289.266 1.358 0 50 CDAA O=C([C@@H]1CCCC(F)(F)C1)N1CC(n2ccnn2)C1 334816302 OMIQPMTZBXVJLR-SECBINFHSA-N 270.283 1.487 0 50 CDAA CN(Cc1nccs1)C(=O)c1cn2c(n1)CCC2 335391671 GNHSLBZVAOTMQN-UHFFFAOYSA-N 262.338 1.558 0 50 CDAA CC[C@@H](C(=O)Nc1ccc2c(c1)CCO2)N1CCCC1=O 174777908 YECVUWPIZWCQLY-ZDUSSCGKSA-N 288.347 1.961 0 50 CDAA CC1(C)OC[C@@H]2C[C@@]21NCc1ccc(S(C)(=O)=O)cc1 527766979 RLSJENMJPGJIDV-SWLSCSKDSA-N 295.404 1.747 0 50 CDAA CCCC(=O)NC[C@@H]1CCCN(CC[C@@H](C)O)C1 241439878 NNBBLDHKMRJCGM-OLZOCXBDSA-N 256.390 1.386 0 50 CDAA NC(=O)[C@@H]1CCC[C@H](NC(=O)CC(F)(F)F)C1 133058790 LHTLXBZBZNLRTL-RQJHMYQMSA-N 252.236 1.099 0 50 CDAA NC(=O)c1csc(NCC2CCSCC2)n1 292394358 CBLUUTZZWRWNOC-UHFFFAOYSA-N 257.384 1.797 0 50 CDAA CCCO[C@@H](C)C(=O)NCc1noc(C2CC2)n1 220611245 FGCULWGDFRGEBW-QMMMGPOBSA-N 253.302 1.378 0 50 CDAA CCc1cc(NC(=O)NC2(CO)CCC2)n(C)n1 178164551 LVKSXCVCXIIWFL-UHFFFAOYSA-N 252.318 1.019 0 50 CDAA Cc1cc(C)n(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)n1 225887894 AOFJPWBHGXBNTE-ZNSHCXBVSA-N 264.281 1.018 0 50 CDAA COCC[C@@H]1COCCN1C(=O)[C@@H](C)Oc1cccnc1 291296112 WDPQKMHCNQJLMF-CHWSQXEVSA-N 294.351 1.113 0 50 CDAA O=C(Cc1ccccn1)N1CC(N2CCCCC2)C1 222480618 ABGZVAWVPIHZQB-UHFFFAOYSA-N 259.353 1.321 0 50 CDAA O=C([C@H]1CCOc2ccccc2C1)N1CCCOCC1 95522876 NAGKJGLRZIAWLA-AWEZNQCLSA-N 275.348 1.877 0 50 CDAA Cc1cc(C)c2[nH]c(CN[C@H]3CCCNC3)cc(=O)c2c1 95388500 URXKMELMACPOCG-ZDUSSCGKSA-N 285.391 1.987 0 50 CDAA C[C@H]1O[C@@H](C(Cl)(Cl)Cl)N(CCN(C)C)C1=O 96026574 BCBYNSIATNYIDO-SVRRBLITSA-N 289.590 1.492 0 50 CDAA CO[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1CCNCC1 534647871 QPLUYOIFOUHZEF-ITGUQSILSA-N 252.358 1.154 0 50 CDAA Cc1noc(C)c1[C@@H](C(=O)O)N1CCSCC1 95379495 HIFAZZZSYVVTDM-JTQLQIEISA-N 256.327 1.466 0 50 CDAA CCc1ncc(C(=O)NCCCn2cc(Cl)cn2)cn1 95373139 PKQWEIHFTJKWSL-UHFFFAOYSA-N 293.758 1.709 0 50 CDAA CC(C)N1CCC[C@H](C(=O)NCCn2cccc2)C1 95529158 IQMYKLVQWOYBPY-AWEZNQCLSA-N 263.385 1.725 0 50 CDAA COC[C@H](C)NC(=O)c1ccccc1-c1ncc[nH]1 97155865 FYLUZMCTDJYQQJ-JTQLQIEISA-N 259.309 1.841 0 50 CDAA CCC[C@H](CNC(=O)c1cnc(OCC2CC2)cn1)OC 295393994 KBLOBKUGWFPMEO-GFCCVEGCSA-N 293.367 1.810 0 50 CDAA CCn1ccc(C(=O)NCc2ncccc2C)cc1=O 97757912 LGYMIFDNNZYASC-UHFFFAOYSA-N 271.320 1.502 0 50 CDAA COCCCCN1CCN(C(=O)c2ncoc2C)CC1 97137559 PIQDLBQPFMUQET-UHFFFAOYSA-N 281.356 1.167 0 50 CDAA Cc1ccc2nc(C)c(C)c(C(=O)N3C[C@H](O)CO3)c2c1 95509860 IKTCAWUATXBVSY-LBPRGKRZSA-N 286.331 1.908 0 50 CDAA Cc1[nH]cnc1CN1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91305868 OQXRQCUGUMTEBH-WBMJQRKESA-N 293.411 1.718 0 50 CDAA O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCCCC1 95531934 WWWBOUHOPCWDGL-TXEJJXNPSA-N 250.342 1.605 0 50 CDAA Cc1cccc(Cn2ncnc2CCCn2cncn2)c1 91586975 NOQAQBYSGHQQNV-UHFFFAOYSA-N 282.351 1.859 0 50 CDAA O=C(COC[C@@H]1CCCCO1)NCc1cccnc1 244831500 UERVJWOGPKFLFL-ZDUSSCGKSA-N 264.325 1.284 0 50 CDAA CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1[C@@H]3[C@@H]4[C@H]2[C@]25CC(C)(C)C[C@]12[C@H]3[C@@H]45 248343132 ZTACXIBNXYHYEN-MQSHKNTPSA-N 283.371 1.775 0 50 CDAA COC(=O)c1cn(Cc2cccs2)cc2c(=O)[nH]nc1-2 253413563 VCTKEMLYPDTZEI-UHFFFAOYSA-N 289.316 1.573 0 50 CDAA CNc1cnc(C(=O)NC2(c3cccc(OC)c3)CC2)cn1 626086514 DZJZQHXLRPCFPX-UHFFFAOYSA-N 298.346 1.946 0 50 CDAA O=c1cnc(Br)cn1Cc1cccnc1 255188086 INNPNCHTGJZELH-UHFFFAOYSA-N 266.098 1.449 0 50 CDAA CC(C)[C@H](CN1CCOCC1)N[C@@H]1CCN2CCC[C@H]2C1 252511632 IWMRMUHLKWTPGN-IKGGRYGDSA-N 295.471 1.560 0 50 CDAA CC(C)[C@H](C(=O)N[C@H](C)CO)N1Cc2ccccc2C1=O 253396428 BCKMAVHWUXPSMB-BXUZGUMPSA-N 290.363 1.164 0 50 CDAA biogenic CO[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 628989258 NCXBZRWRNUZFGB-DMDPSCGWSA-N 291.351 1.661 0 50 CDAA Cc1cccnc1[C@@H](NC(=O)Cn1cccn1)C1CC1 534633495 KPBYKUMJOKBXDR-HNNXBMFYSA-N 270.336 1.854 0 50 CDAA Cc1noc([C@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 299800904 TXYNDMHBBRIEIY-JTQLQIEISA-N 298.306 1.279 0 50 CDAA C[C@H](CN1CCc2ccccc2C1)NC(=O)c1cn(C)cn1 299782945 GSQQIAVOBYGZIQ-CYBMUJFWSA-N 298.390 1.597 0 50 CDAA Cc1nc(N)sc1-c1ccn(CCN2CCOCC2)n1 299769622 QSRYEAAIFDXMHU-UHFFFAOYSA-N 293.396 1.229 0 50 CDAA Cn1cncc1C(=O)N1CCC(c2ccncn2)CC1 299772188 RVHRLFFPBDVUKZ-UHFFFAOYSA-N 271.324 1.230 0 50 CDAA Cc1cc(O)nc(CNC(=O)CCC2CCN(C)CC2)n1 299788574 UQPGLCJUEYKVLQ-UHFFFAOYSA-N 292.383 1.229 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1ccc2c(c1)CCC2 826846937 NNTQNYPXCCHZRQ-HUUCEWRRSA-N 284.359 1.725 0 50 CDAA CC(C)n1nc(CC(N)=O)nc1CCOc1ccccc1 826842506 XNJMBRNMBRRPCQ-UHFFFAOYSA-N 288.351 1.508 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)CCN1CCCCCC1=O 823628194 KQHNJNQHQIPEFK-UHFFFAOYSA-N 278.356 1.161 0 50 CDAA c1ccc(CCn2cnnc2CN[C@H]2CCOC2)cc1 670474156 VQYYRCCMFJCHSW-AWEZNQCLSA-N 272.352 1.399 0 50 CDAA CNC(=O)C[C@@H]1CCN(C(=O)c2cccn2C(C)C)C1 584904121 NWQHZPLZXIECBG-LBPRGKRZSA-N 277.368 1.667 0 50 CDAA Cc1nn(C)cc1NC(=O)c1ccc2nccnc2c1 741194311 CMGCKAZVAUQZIE-UHFFFAOYSA-N 267.292 1.924 0 50 CDAA Cc1cc(NC(=O)[C@@H](C)N(C)Cc2nccn2C)on1 270528863 DAWNGASLENUISO-SNVBAGLBSA-N 277.328 1.176 0 50 CDAA COCc1noc([C@H](C)NC(=O)N2CCCC2)n1 1875324185 LFZZJHAPJFIZMD-QMMMGPOBSA-N 254.290 1.082 0 50 CDAA Cc1ccc(-c2cn(CC3(O)CCNCC3)nn2)cc1 1875303904 RPDVYWHSCRXWEI-UHFFFAOYSA-N 272.352 1.368 0 50 CDAA CS(=O)(=O)c1ccccc1OC[C@@H]1C[N@@]1C1CCC1 1875380980 GJCNHSHNEFAEOW-WFASDCNBSA-N 281.377 1.706 0 50 CDAA CCc1ncc(C(=O)NC[C@H](O)c2ccsc2)c(O)n1 1875314110 HUZNXKQWGOIIED-JTQLQIEISA-N 293.348 1.270 0 50 CDAA OC[C@H](CC1OCCO1)Nc1ccc(C(F)(F)F)cn1 952992066 IUKDLXCFZREDNH-VIFPVBQESA-N 292.257 1.636 0 50 CDAA C[C@@H]1CCC[C@@H](C)N(C(=O)N=c2[nH]ncn2C)C1 1875296291 OHADUWWTHFGEFA-NXEZZACHSA-N 251.334 1.279 0 50 CDAA Oc1ccccc1N1CCN(c2ccnc3ncnn23)CC1 1875286334 OVSLSSWSMQVUMK-UHFFFAOYSA-N 296.334 1.157 0 50 CDAA Cc1cc(C(=O)N2CC(N3CCCC[C@@H]3C)C2)nc(C)n1 952989553 QZDONZAMNOKSRZ-LBPRGKRZSA-N 288.395 1.792 0 50 CDAA COCC(=O)N(C)Cc1ccc2nsnc2c1 1506402755 KSUJZIWRIURZAG-UHFFFAOYSA-N 251.311 1.296 0 50 CDAA 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293.363 1.372 0 50 CDAA Cc1nsnc1C(=O)N1CC(N2CCCCC2)C1 1857683837 NWEDJXTUSOSJRQ-UHFFFAOYSA-N 266.370 1.157 0 50 CDAA O=C(CCN1CCCCCC1=O)N[C@H]1C=CCC1 1857685236 FFHPFLBYTLDRNV-LBPRGKRZSA-N 250.342 1.614 0 50 CDAA Cc1ccc(CN(C)C(=O)[C@H]2C[C@H](N)[C@@H](O)C2)cc1 1857708575 AWMLTVNZVOEKTP-IHRRRGAJSA-N 262.353 1.052 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2ccnc(C)c2)C[C@@H]1O 1704311274 CCYOOBYSJKNTOJ-ZFWWWQNUSA-N 278.352 1.832 0 50 CDAA COc1ncc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cn1 207124321 WDXBHEXWDSOPBL-OLZOCXBDSA-N 269.304 1.771 0 50 CDAA CC1(C)COc2ccc(C(=O)N3CCOCC3)cc21 336009553 ODQWIEJXZVIUDE-UHFFFAOYSA-N 261.321 1.829 0 50 CDAA O=C1Nc2ccc(I)cc2C1=O 3909323 OEUGDMOJQQLVAZ-UHFFFAOYSA-N 273.029 1.426 0 50 CDAA biogenic,in-vitro CN(C)C1(CNC(=O)c2cc3n(n2)CCCC3)CC1 333188968 RPMQGKJLYIFSLI-UHFFFAOYSA-N 262.357 1.043 0 50 CDAA Cc1cc(O)nc(N[C@@H]2CCO[C@H]2c2cnn(C)c2)n1 1615054650 RDEGLELRWHXTJJ-PWSUYJOCSA-N 275.312 1.166 0 50 CDAA Nc1ccn2ncc(C(=O)N[C@@H]3COC[C@H]3C3CC3)c2c1 1615553488 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C[C@@]1(C(=O)O)CCN(C(=O)c2ccn(C3CCCC3)n2)C1 237660567 XGTRTTMJWYXHQI-OAHLLOKOSA-N 291.351 1.935 0 50 CDAA O=C(O)c1cccnc1NC1CCN([C@H]2CCOC2)CC1 662894345 BBDOWPYGXNADOT-LBPRGKRZSA-N 291.351 1.445 0 50 CDAA Cc1cc(C)n([C@@H]2CC(c3ccccc3)=NNC2=O)n1 20096000 QBKXMDXDPQZYPX-CQSZACIVSA-N 268.320 1.965 0 50 CDAA Cc1nonc1C(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C 265154944 XVJCAVAVCFSVQS-MFKMUULPSA-N 287.319 1.980 0 50 CDAA C[C@@]1(C(=O)O)CCCN1Cc1ccc(-n2ccnc2)nc1 846273263 VBKRVGSEZKMZHZ-HNNXBMFYSA-N 286.335 1.706 0 50 CDAA Cc1[nH]nc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)c1C 900545424 APJBVNPLZXIRHP-MRXNPFEDSA-N 298.346 1.423 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 1704330461 CTMQUSOADLNTGK-RISCZKNCSA-N 294.782 1.743 0 50 CDAA C[C@H](NC(=O)c1cc(-c2cccnc2)nn1C)C(F)F 906132863 DTQAOERTUATTEU-QMMMGPOBSA-N 280.278 1.866 0 50 CDAA CN(C(=O)C1CN([C@H]2CCOC2)C1)c1cccc2cc[nH]c12 913670236 PREVGDHSTUUEIS-AWEZNQCLSA-N 299.374 1.851 0 50 CDAA N[C@@H]1COC[C@@H]1Oc1ccc(Br)cc1 117371578 GRTOEAAOPRPWSN-ZJUUUORDSA-N 258.115 1.554 0 50 CDAA CNC(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc1O2 914127094 WHSMRQUZLDIBLP-GFCCVEGCSA-N 276.336 1.677 0 50 CDAA O=C(NCCCc1ncc[nH]1)c1ccc2c(c1)OCO2 141168832 OQIZSXWVUMVUEW-UHFFFAOYSA-N 273.292 1.501 0 50 CDAA C[C@H](C(=O)NC1CCCC1)N1C[C@H]2[C@H](O)CC[C@H]2C1 228099347 TXOMNAAWXOLHGX-ZMJPVWNMSA-N 266.385 1.136 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)Cc1ccccc1Cl 129353145 XSWMZHQAVDNBBB-NSHDSACASA-N 297.738 1.585 0 50 CDAA C[C@H](N)[C@H]1CCCCN1C(=O)CCc1ccncc1 129929319 HVSDINBTYOAQNW-GXTWGEPZSA-N 261.369 1.743 0 50 CDAA NCC1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 237813872 PBUGNGLPEWXEIB-UHFFFAOYSA-N 296.754 1.880 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(Cl)cc2C)C1 284839595 OBDFJMOLGUQYFZ-NWDGAFQWSA-N 283.755 1.870 0 50 CDAA CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 53576180 PPXJNMPGWVKNKP-LBPRGKRZSA-N 278.327 1.766 0 50 CDAA Cc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)[nH]n1 181174665 GCJRFUAQHSAZFH-JTQLQIEISA-N 260.301 1.204 0 50 CDAA COCC1(C(=O)N2C[C@@H]3CCC[C@@]3(N)C2)CCC1 621683186 REJKNCJXEUCNPH-SMDDNHRTSA-N 252.358 1.143 0 50 CDAA CNC(C)(C)c1cn(Cc2ncnn2CC(C)C)nn1 641157903 APXKFPFIZDLSMS-UHFFFAOYSA-N 277.376 1.028 0 50 CDAA COc1ccc(CC(=O)N2CC(C)(C(=O)O)C2)cc1F 399248341 LLVVXAMYSROJDD-UHFFFAOYSA-N 281.283 1.310 0 50 CDAA O=C(NCc1ccco1)C1CC2(C1)CC(c1nn[nH]n1)C2 2325806995 SMOQVOVKNWINQI-UHFFFAOYSA-N 287.323 1.383 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)c1ccccn1 109723958 QEIHSEGXJLTIHF-UHFFFAOYSA-N 259.265 1.757 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc(F)c(OC)c1 384592 JCCXZKJAAAYRJJ-UHFFFAOYSA-N 261.318 1.865 0 50 CDAA Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)no1 470505 MPTCIXWYQGCMLV-UHFFFAOYSA-N 285.259 1.461 0 50 CDAA COC(=O)c1ccc(CSc2nc(N)cc(N)n2)cc1 567573 LGOUGJBIFOBRRV-UHFFFAOYSA-N 290.348 1.720 0 50 CDAA aggregator Cc1cccnc1C(=O)N1CCC[C@]12CCCNC2=O 2356169068 KFUBILFSEYGXRV-HNNXBMFYSA-N 273.336 1.275 0 50 CDAA COc1cc(Br)c([C@H](N)C(=O)O)cc1OC 3676794 WPSNNNNYWQWOQA-VIFPVBQESA-N 290.113 1.551 0 50 CDAA Nc1nc2nonc2nc1NC1C2CC3CC(C2)CC1C3 4195824 RRIVCFRXRLOVJL-UHFFFAOYSA-N 286.339 1.832 0 50 CDAA COC(=O)c1ccc(OCC(=O)N2CCCC2)c(OC)c1 4870369 RSXXVGPQADKJKY-UHFFFAOYSA-N 293.319 1.483 0 50 CDAA Cc1ccccc1-n1nnc(C(=O)NC2CCCC2)c1N 4984955 BWZCBGJCGGMWSW-UHFFFAOYSA-N 285.351 1.830 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccoc1 344785401 CQTBFQLJPGDEPG-QWHCGFSZSA-N 267.325 1.475 0 50 CDAA Cc1nc(N2CCN(C)CC2)[nH]c(=O)c1CCC(C)C 9196343 ZAGFWHSCVBWIIQ-UHFFFAOYSA-N 278.400 1.419 0 50 CDAA O=C(CSc1ncn[nH]1)Nc1ccccc1O 9295414 IMFIXRBQJFRPDU-UHFFFAOYSA-N 250.283 1.241 0 50 CDAA NC1CCN(C[C@@H]2CCCN3CCCC[C@@H]23)CC1 114836766 FYVPTKUQGAZWIY-ZFWWWQNUSA-N 251.418 1.674 0 50 CDAA COC(=O)[C@H]1C(=O)CC(=O)C[C@H]1c1ccc(OC)cc1 100324551 TVZUMOMYNHRQPO-GXTWGEPZSA-N 276.288 1.500 0 50 CDAA C[C@@H](OCC(F)(F)F)C(=O)N1CCCC[C@H]1C(=O)O 136463360 TVVSLNOKHILLRN-SFYZADRCSA-N 283.246 1.420 0 50 CDAA CCC[C@@]1(CO)CCCN(c2cc(N(C)C)ncn2)C1 65396626 ZKTIGJFVRGBSQF-OAHLLOKOSA-N 278.400 1.922 0 50 CDAA C[C@H](CO)NCC1CCN(CCc2ccccc2)CC1 65417352 DFDDWUDVUNDSST-OAHLLOKOSA-N 276.424 1.912 0 50 CDAA Cn1cc(C(=O)NCc2cnc3c(c2)CCC3)ccc1=O 65422888 CEYGSMASUZMWKE-UHFFFAOYSA-N 283.331 1.199 0 50 CDAA CCOc1ccc(CNCCNC[C@H](C)O)cc1Cl 20177144 AZYOJBWVEGJPNO-NSHDSACASA-N 286.803 1.799 0 50 CDAA O[C@@H](CN1CCC(C2CCOCC2)CC1)Cn1cccn1 366687506 LSMRMVNFJGYTOT-INIZCTEOSA-N 293.411 1.383 0 50 CDAA CCOC(=O)N1CCC(NC(=O)[C@H]2CC2(C)C)CC1 151553842 FAMKRVIQVPPBLV-LLVKDONJSA-N 268.357 1.770 0 50 CDAA CCN(C[C@@H]1CCCO1)c1cc(CCN)nc(C)n1 67741566 IVFZHSWPFCKFQA-ZDUSSCGKSA-N 264.373 1.292 0 50 CDAA CC(C)c1nnc([C@@H]2COCCN2C(=O)c2ccoc2)o1 328611520 LXRJGVDCANAGOX-NSHDSACASA-N 291.307 2.000 0 50 CDAA CN=c1ccc(-c2cc(C(F)(F)F)nn2C)c[nH]1 521398341 UHKXSBHWLXYEAM-UHFFFAOYSA-N 256.231 1.965 0 50 CDAA CCn1ncc(C)c1NC(=O)[C@H](C)N1CCCC1 32603611 HROXVPUTOZQUQG-NSHDSACASA-N 250.346 1.634 0 50 CDAA C[C@H](c1ccccn1)N(C)c1ncnc2c1nnn2C 521395311 FUDUAYZCXWUQGQ-SECBINFHSA-N 269.312 1.351 0 50 CDAA C[C@@H](O)C[C@@H]1CCCN1C(=O)Nc1ccc(F)cn1 123137205 GTLOAVTYKWCUII-KOLCDFICSA-N 267.304 1.988 0 50 CDAA C[C@@]12CCN(C(=O)c3nccnc3C(=N)O)C[C@@H]1C2(F)F 329195960 VNPPPMDTVDOLGE-JVXZTZIISA-N 296.277 1.477 0 50 CDAA Cc1cccc(-n2cc(CN3CCO[C@H](CN)C3)cn2)c1 67855134 RKZLLXQUBBBGCN-MRXNPFEDSA-N 286.379 1.340 0 50 CDAA Cc1ccoc1C(=O)NCC1(Cn2ccnc2)CC1 67818323 QYQMRBVQGAMALI-UHFFFAOYSA-N 259.309 1.995 0 50 CDAA O[C@@H]1CCc2cnn(Cc3nnc4n3CCCCC4)c2C1 330341308 ZBYNCQOQEFOQJJ-GFCCVEGCSA-N 287.367 1.099 0 50 CDAA C[C@@H]1CN(C(=O)c2cccc(-n3cncn3)c2)C[C@@H](C)N1 154123469 UNJDCYFWAJLGHH-VXGBXAGGSA-N 285.351 1.090 0 50 CDAA CCCn1nccc1C(=O)N1CCC2(CCNCC2)CC1 71440029 LEUCTOUASNMEDF-UHFFFAOYSA-N 290.411 1.899 0 50 CDAA C[C@@H]1CCCN(C(=O)/C=C/c2cccnc2)[C@H]1CN 156790740 XOEDMNSBBHARNA-WDYNUWJLSA-N 259.353 1.681 0 50 CDAA CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)Cc2ccco2)C1 370914371 UROMMQWOLJXFBE-CQSZACIVSA-N 298.342 1.916 0 50 CDAA CN1CCOc2ccc(C(=O)N[C@@H]3C=C[C@H](CO)C3)cc21 373891859 BKFFYRREXAYEBE-WCQYABFASA-N 288.347 1.182 0 50 CDAA C[C@H]1CN(C(=O)[C@H](C)c2ccc(Cl)s2)CC(=O)N1 334545909 JXXXUBWHRIJTGU-JGVFFNPUSA-N 286.784 1.852 0 50 CDAA CN[C@@H]1CCCN(C(=O)c2ccc(CNC(C)=O)s2)C1 133299622 ASBYCPXAJZSPKY-LLVKDONJSA-N 295.408 1.208 0 50 CDAA O=S(=O)(c1nnc[nH]1)[C@@H]1CCc2c(Cl)cccc21 133258454 XCBVYMSZIPFKKL-SNVBAGLBSA-N 283.740 1.919 0 50 CDAA Cc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1C)C(=O)N2 31815472 LUXYSEQSWHQRGS-LLVKDONJSA-N 285.307 1.417 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1c1ccccc1 262873504 JWRZXGKPZHBZMI-HZSPNIEDSA-N 289.331 1.350 0 50 CDAA COCCCN(C(=O)c1ocnc1C)C1CCN(C)CC1 72475416 IQTUIHXGNZFIMX-UHFFFAOYSA-N 295.383 1.556 0 50 CDAA CO[C@H](C)C(=O)Nc1cccc([C@H](C)C(=O)O)c1 263172412 GBLWIUQFGBJGRQ-DTWKUNHWSA-N 251.282 1.848 0 50 CDAA C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@H]1C(=O)N(C)C 242164649 WWSGGFQEDVGKMO-MCIONIFRSA-N 295.427 1.234 0 50 CDAA CC(=O)N1CCN(C(=O)c2ccc3c(ccn3C)c2)CC1 40284740 HCQJEXGLBVOZII-UHFFFAOYSA-N 285.347 1.483 0 50 CDAA CCc1nc(C)sc1CNC(=O)[C@H](O)CCSC 220425038 CFINEWZAJFAXML-SNVBAGLBSA-N 288.438 1.744 0 50 CDAA CC(C)n1cc(NC(=O)NCCc2n[nH]c(=N)s2)cn1 426707476 SMZPWRNHDMHTSS-UHFFFAOYSA-N 295.372 1.092 0 50 CDAA O=C(NCCCn1ncc2ccccc21)N1CCOCC1 426420144 OVMVLPBZFAXIIQ-UHFFFAOYSA-N 288.351 1.468 0 50 CDAA O=C(c1nc[nH]c2nccc1-2)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 616299718 QKNWVZNSXXWEHE-GARJFASQSA-N 286.335 1.143 0 50 CDAA O=C(C[C@H]1CC1(F)F)NCCOc1cccc(C(=O)O)c1 426662308 RIFVUQCDGPCISN-JTQLQIEISA-N 299.273 1.925 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)NCCCCO 426370225 CDCUXYHEGSIDLT-UHFFFAOYSA-N 288.351 1.544 0 50 CDAA COc1cccc(CN2CCN(C)C2=O)c1OC 95505599 SWJPZZQBIWORLV-UHFFFAOYSA-N 250.298 1.571 0 50 CDAA C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)O 238856611 WOCMPGNCIWTDFK-KVPKETBZSA-N 291.225 1.057 0 50 CDAA Cc1cc(-c2cnc3ncnn3c2[C@H]2CCCNC2)on1 95629435 WZRDXKDISPFCFD-JTQLQIEISA-N 284.323 1.555 0 50 CDAA CN(C)c1ccc(-c2nc(C(F)(F)F)nn2C)cn1 426538491 ZQRFENNTSKEJCT-UHFFFAOYSA-N 271.246 1.962 0 50 CDAA Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)C3CC3)n2)nn1 95518113 UCKLSHGRSNSECB-LBPRGKRZSA-N 299.334 1.909 0 50 CDAA OCCN1CCC(CNc2ncccc2F)CC1 439600598 WIVFBORGROMTDT-UHFFFAOYSA-N 253.321 1.337 0 50 CDAA COC(=O)c1cc(Br)cc2c1OCO2 91297230 LCYYWZCNOLIBQE-UHFFFAOYSA-N 259.055 1.964 0 50 CDAA CCc1oc(C(=O)N2CCC(NC)CC2)cc1C 237075371 SCDSGTDGEXCCMK-UHFFFAOYSA-N 250.342 1.974 0 50 CDAA CCO[C@]12C=C[C@](OCC)(CC1)[C@H](C(=O)O)[C@H]2C(=O)O 248377403 GNYKZCWECLDKMM-TXFQPVFDSA-N 284.308 1.302 0 50 CDAA Cc1ncsc1CCN(C)C[C@@H](C)N1CCOCC1 243893233 APQJEIBXFXBQQS-GFCCVEGCSA-N 283.441 1.647 0 50 CDAA Cn1nc2c(c1NC(=O)[C@@H]1Cc3ccccc3O1)CCC2 299205810 AFBFHWLAZOSUMS-AWEZNQCLSA-N 283.331 1.851 0 50 CDAA CCCCN(CC)CCn1c(O)nc(C)cc1=O 253536280 MLXAECMEFSBOJT-UHFFFAOYSA-N 253.346 1.379 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCCOC1CCCCCC1 299747687 DRGVBCUJOQLLQL-NEPJUHHUSA-N 269.341 1.563 0 50 CDAA O=C(O)[C@@H]1CCCN1Cc1nc2c(F)cccc2[nH]1 299744825 QCDKOIQPWKMWFJ-JTQLQIEISA-N 263.272 1.751 0 50 CDAA CC(=O)N(C)[C@@H]1CCN(CCCc2cccnc2)C1 252487808 IBTQIBYBCXUGPA-OAHLLOKOSA-N 261.369 1.567 0 50 CDAA Cn1ccnc1[C@@H]1CCN(C[C@H](O)Cc2ccccc2)C1 543750455 DKAYVHOHGPEIFN-HZPDHXFCSA-N 285.391 1.813 0 50 CDAA O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(c2nnn[nH]2)CC1 252483758 FHXCOSCRITZEHH-ADEWGFFLSA-N 273.340 1.118 0 50 CDAA Cc1cnn([C@@H](C)CNC(=O)Cn2ccnc2C)c1 534661253 OHAOQGBKNUBYMB-NSHDSACASA-N 261.329 1.074 0 50 CDAA CO[C@H]1C[C@@H](c2nc(C)nn2C(C)(C)C)CC[C@@H]1N 1940195830 PCLIGCRCUVGIFF-SRVKXCTJSA-N 266.389 1.951 0 50 CDAA Cc1ncc2c(c1CNC(=O)c1ccoc1C)CCNC2 299787753 YAZWRJSEWUJBMO-UHFFFAOYSA-N 285.347 1.867 0 50 CDAA CNC(=O)C1(NC(=O)CCCn2cccn2)CCCCC1 299765550 OCSFQQHEMQVIMU-UHFFFAOYSA-N 292.383 1.228 0 50 CDAA CCc1ccc(C(=O)N2CC[C@]3(OC)CC[C@H](O)C[C@H]23)[nH]1 299794384 KAZBKFCVSHDOPI-DUVNUKRYSA-N 292.379 1.722 0 50 CDAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2ccnn2C)C1 825235577 CAVMJLAPFBCVJM-INIZCTEOSA-N 285.347 1.462 0 50 CDAA CCCCn1nc(CC(N)=O)nc1-c1scnc1C 822888657 CJUCNMVUTVAIIZ-UHFFFAOYSA-N 279.369 1.538 0 50 CDAA O=C(c1n[nH]c2c1CCCC2)N1CCc2nocc2C1 584899276 YFPZTDBGYXOWTI-UHFFFAOYSA-N 272.308 1.475 0 50 CDAA Oc1nc(Cn2ccnn2)nc2sc3c(c12)CCCC3 585137267 PPOPLLSXAQTMTD-UHFFFAOYSA-N 287.348 1.916 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2noc(C)c2CO)cs1 584902279 AMWKXXOCKZXCPD-LURJTMIESA-N 281.337 1.731 0 50 CDAA COCCN1CC[C@@H](c2ncnn2-c2cccnc2)C1 670468366 JHGMCSWCFZMOLA-GFCCVEGCSA-N 273.340 1.098 0 50 CDAA CN1CCC(c2nc(-c3ccc4nn[nH]c4c3)no2)CC1 1875285820 AOOIKHKVWPJRJT-UHFFFAOYSA-N 284.323 1.817 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cccnc1N1CCCC1 1875273162 BYRCAMGEYLLQAT-FNORWQNLSA-N 289.335 1.141 0 50 CDAA N=c1[nH]ccc(=NC[C@]2(CO)C[C@H]2c2ccc(F)cc2)[nH]1 1875275822 UXMFLZXAJPBMEL-WFASDCNBSA-N 288.326 1.028 0 50 CDAA CC1(O)CC2(CN(C(=O)C3(Oc4ccccc4)CC3)C2)C1 1875405294 CACIZDSUEVJRCR-UHFFFAOYSA-N 287.359 1.971 0 50 CDAA Cn1ccc(-c2noc(C(C)(C)c3cnc[nH]3)n2)n1 952881970 KYWKMEDSVFMXLF-UHFFFAOYSA-N 258.285 1.519 0 50 CDAA O=C(O)CCN1CCC[C@@H](CNC(=O)C2CCC2)C1 952991902 XCEPASMGISKYLD-NSHDSACASA-N 268.357 1.089 0 50 CDAA O=C(O)[C@H]1NCCc2ccc(Br)cc21 72221366 NCUGWXAJTCNZBN-VIFPVBQESA-N 256.099 1.721 0 50 CDAA in-vitro CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCCCN)(C3)C2 952983032 REROGGDSIOXSDA-XLNGHYISSA-N 294.439 1.953 0 50 CDAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)Cc2nonc2C)C1 886077630 CZVZAUGLNUZPRV-YUELXQCFSA-N 294.399 1.452 0 50 CDAA O[C@@H]1C[C@H](N[C@@H]2CCc3ccc(F)cc32)[C@H]1n1cccn1 886097119 ODSKCCOYWATLPL-QKPAOTATSA-N 287.338 1.974 0 50 CDAA CCOc1cc(C(=O)N2CCn3cccc3C2)[nH]n1 1335325462 UTJXCZMLHNMLCT-UHFFFAOYSA-N 260.297 1.266 0 50 CDAA COc1cncc(C(OC)OC)c1[Si](C)(C)C 169794067 GDXMJVFGSOEQDV-UHFFFAOYSA-N 255.390 1.927 0 50 CDAA in-vitro CON(C)C(=O)CCCC(=O)OCc1ccccc1 90556489 JVFCLXXADNWCBR-UHFFFAOYSA-N 265.309 1.920 0 50 CDAA in-vitro C[C@H]1CN(CCSc2nnc(C(C)(C)C)n2N)CCO1 170605519 UPFNKJCVYUFCCH-JTQLQIEISA-N 299.444 1.102 0 50 CDAA CCS(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]2O)cc1 170604472 MYZRJMWRMLZXFN-STQMWFEESA-N 269.366 1.806 0 50 CDAA CCO[C@@H]1C[C@@](O)(CNCc2ccncc2)C1(C)C 170608456 ABPFFUYCARVXAX-UKRRQHHQSA-N 264.369 1.737 0 50 CDAA Cc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1Cl 171294560 NHXAHFRKLITSJR-GFCCVEGCSA-N 282.771 1.709 0 50 CDAA CCOC[C@H](O)CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 281939402 TWBVNBWULSYDPO-RRFJBIMHSA-N 283.343 1.331 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC(Cn2cccn2)CC1 187868026 BRDHNRRDYUFUJR-DZGCQCFKSA-N 291.395 1.937 0 50 CDAA C[C@@](O)(CNC(=O)c1cccc2cn[nH]c12)c1ccco1 304411483 QBZVBJOLQNIPKE-OAHLLOKOSA-N 285.303 1.793 0 50 CDAA COCC(=O)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 408521124 JDNNMEXEQLDJJM-OAHLLOKOSA-N 298.383 1.635 0 50 CDAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N(C(=O)C1CC1)[C@@H]3C2 221355099 PLKPTRDTEGFHOR-JTNHKYCSSA-N 283.393 1.763 0 50 CDAA Cn1ccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)n1 189419413 VFFRFPYPNKIMDG-PWSUYJOCSA-N 280.372 1.993 0 50 CDAA CCN(CC)C(=O)[C@@H](C)[S@](=O)c1ccoc1C 189655711 LRHDSPYOCIZASW-QGHHPUGFSA-N 257.355 1.953 0 50 CDAA Cc1ccccc1S(=O)(=O)[C@@H](C)c1nnnn1C1CC1 191026489 ZHKCZUPWQURAOA-JTQLQIEISA-N 292.364 1.851 0 50 CDAA CC(C)c1ccc(CNC(=O)[C@@]2(N)CCN(C)C2)cc1 643633358 HHEBBAIJGPSUOB-MRXNPFEDSA-N 275.396 1.459 0 50 CDAA COC(=O)c1ccc2c(c1)CCN2Cc1cc[nH]n1 191506073 UJJWXIBLJJYFLP-UHFFFAOYSA-N 257.293 1.759 0 50 CDAA C[C@H]1CCN(Cc2cncs2)CCS1(=O)=O 192049656 JWUIBEKNAWSLPB-VIFPVBQESA-N 260.384 1.152 0 50 CDAA CCCCCOCC(=O)NC[C@H](O)c1cccnc1 584908186 ZOGQDXPCECRJHV-ZDUSSCGKSA-N 266.341 1.438 0 50 CDAA CCCCCOCC(=O)N1CC[C@@H](c2cc(O)n[nH]2)C1 585127116 QJXIGNFIMXCQKO-LLVKDONJSA-N 281.356 1.638 0 50 CDAA O=C(NC[C@@H](O)C1CCC1)c1cc2cccnc2[nH]1 560768061 PJDYDBYVDGWLSV-GFCCVEGCSA-N 259.309 1.454 0 50 CDAA CN(C)c1noc(CN2CCc3cc(F)ccc3C2)n1 192775935 MANYHFLVDRCMLI-UHFFFAOYSA-N 276.315 1.833 0 50 CDAA CCOC[C@@H](O)Cn1nc(-c2ccccc2F)ccc1=O 193808045 CIYFKBCCNUCITO-NSHDSACASA-N 292.310 1.447 0 50 CDAA O=C(O)c1oc2ccccc2c1CN1CCn2ncnc2C1 568060933 UIQVZNJWYVMWMO-UHFFFAOYSA-N 298.302 1.738 0 50 CDAA N[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(CC2CC2)CC1 571670977 LTHRIZKKWFVTFC-HUUCEWRRSA-N 294.443 1.430 0 50 CDAA CN(Cc1cccc(C(=O)O)c1)Cc1cnccn1 97766881 GPKVMOYKIQJKMQ-UHFFFAOYSA-N 257.293 1.807 0 50 CDAA CNC(=O)[C@@]1(C)CCCN(c2ccncc2F)C1 1506416087 HEYDQZIIVLVVDS-ZDUSSCGKSA-N 251.305 1.573 0 50 CDAA O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H]1CCCO1 133364 MTMXIDCSVLVFRX-FVOPLDGLSA-N 275.304 1.724 0 50 CDAA biogenic CC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)C1 213022640 GHHQGDSMFGSEKP-MNOVXSKESA-N 277.276 1.062 0 50 CDAA CCc1cnc(C)nc1NC[C@H]1CN(C(C)=O)CCO1 1704306867 YVDHMPJOONIKIQ-ZDUSSCGKSA-N 278.356 1.007 0 50 CDAA CCC[C@@H](C(=O)N(CCO)Cc1ncc[nH]1)n1cccc1 1704335038 JZMQCMLLCMHRKD-ZDUSSCGKSA-N 290.367 1.574 0 50 CDAA CN(Cc1nccn1C(F)F)C(=O)[C@@H]1CCCCCN1 375842412 QLUVXJNYPYNJKW-JTQLQIEISA-N 286.326 1.769 0 50 CDAA Cc1nccn1CCCN1C[C@H]2COCC[C@@]2(C(=O)O)C1 1600755307 LSKBAMRNQLWYKW-DZGCQCFKSA-N 293.367 1.005 0 50 CDAA C[C@]1(CNC(=O)c2cnn3ccc(N)cc23)CC1(F)F 1614614183 KJLABIJJYQVJOM-GFCCVEGCSA-N 280.278 1.692 0 50 CDAA CC(C)(C(=O)NCc1nc2ncccn2n1)C(F)(F)F 1615613321 VGCNOJGHRQTOBX-UHFFFAOYSA-N 287.245 1.329 0 50 CDAA CN1CCN(C(=N)NC23CC4CC(CC(C4)C2)C3)CC1 1615611189 VKEDVKGOOWVBNL-UHFFFAOYSA-N 276.428 1.727 0 50 CDAA Cc1nnc(CCNC(=O)[C@]2(C)CCCCO2)s1 936024850 SSOFWOYYDNNDSH-LBPRGKRZSA-N 269.370 1.464 0 50 CDAA CC[C@@]12COC(=O)N1CCN(Cc1c(C)noc1C)C2 1857686635 AKNBZWFUDXTBQV-CQSZACIVSA-N 279.340 1.708 0 50 CDAA C[C@H](C(=O)NCc1ccccc1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775982925 VIRVVVRHEGOIDJ-DMRZNYOFSA-N 288.391 1.394 0 50 CDAA Cc1cc(S(=O)(=O)c2ccc(N)cc2)ccc1N 5930744 HKUOKTIUXQGLPP-UHFFFAOYSA-N 262.334 1.992 0 50 CDAA CC(C)OCCNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 11662320 PIWSTNYEVNSRAZ-CYBMUJFWSA-N 296.411 1.709 0 50 CDAA CCN(CC)C(=O)Cn1c(CO)nc2ccccc21 15922143 JYLMWSMRHIRVPU-UHFFFAOYSA-N 261.325 1.397 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1cccnc1)C2O 19320132 AMZZWDKULANGOF-UHFFFAOYSA-N 259.353 1.099 0 50 CDAA biogenic CC(=O)O[C@H](CN1CCN(C)CC1)c1ccccc1 19360372 FRWDVKRXQFHYPY-OAHLLOKOSA-N 262.353 1.538 0 50 CDAA O=C(Cn1cncn1)NC1CCN(c2ccccc2)CC1 19740605 QNYFAFQYWVLUST-UHFFFAOYSA-N 285.351 1.063 0 50 CDAA CN(Cc1cnc2ccccc2n1)C(=O)c1nccn1C 19799579 WSHUNHIXESCZHE-UHFFFAOYSA-N 281.319 1.636 0 50 CDAA CCOC(=O)[C@H]1CCc2c(nnn2Cc2ccccc2)C1 169795001 VNVRUJVTOFVIPW-ZDUSSCGKSA-N 285.347 1.994 0 50 CDAA C[C@@H]1CN(Cc2nc(CC3CC3)no2)CCN1C 200512891 VMEZOXOPUDVLBC-SNVBAGLBSA-N 250.346 1.158 0 50 CDAA O=C([C@H]1CCOC1)N1CCC(c2ccnc(O)c2)CC1 1857693598 DHVAQGCBOOYUOQ-ZDUSSCGKSA-N 276.336 1.530 0 50 CDAA CN(Cc1ccccc1F)C(=O)[C@H]1CC[C@@H](O)[C@H](N)C1 1857728824 NPBCKFCKGXGPJE-ZLKJLUDKSA-N 280.343 1.272 0 50 CDAA COc1ccc(-c2nccn2C[C@@]2(O)CCNC2)cc1F 1857740019 DWFDFKRQEUYRGC-OAHLLOKOSA-N 291.326 1.422 0 50 CDAA CC(=O)n1cc([C@@H]2C(=O)NN=C2C)c2ccccc21 100671264 LWAAWXPHUVBIOH-CYBMUJFWSA-N 255.277 1.891 0 50 CDAA in-vitro O=C(O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 161830 IMVZABZPKCETQX-JTQLQIEISA-N 267.712 1.816 0 50 CDAA in-vitro CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)O 2555025 NRXDUMDULDHIEA-VIFPVBQESA-N 288.344 1.127 0 50 CDAA in-vitro CCOc1ccc(CCC(=O)N2C[C@@H](F)C[C@H]2CO)cc1 347443798 WZTAICNUEXOPAD-KBPBESRZSA-N 295.354 1.949 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@@H]1CCNC1=O 585101693 ZEZSCVCCFYXYRH-GFCCVEGCSA-N 291.351 1.013 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2cccc(C(=O)O)c2)n[nH]1 263383287 CCRJWTSHUDDXPE-SECBINFHSA-N 287.319 1.777 0 50 CDAA CCOc1ccccc1OCC(=O)NC1(C(=O)O)CCC1 164813197 ODDRRYLCBRYGLR-UHFFFAOYSA-N 293.319 1.588 0 50 CDAA CCO[C@@H](C)c1nccn1CC(=O)N1CCOC(C)(C)C1 901529119 OCJZAJFDHRWJRN-LBPRGKRZSA-N 295.383 1.618 0 50 CDAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)c(C)o1 1704337277 YUMNPWSSGNMLTR-STQMWFEESA-N 278.352 1.299 0 50 CDAA Cn1cnc(CNC(=O)CCc2ccccc2C(=O)O)c1 908121623 DLFNANRQXCYMQR-UHFFFAOYSA-N 287.319 1.367 0 50 CDAA O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)COC1CC1 911061640 DKJOZQIZHLQHDK-AWEZNQCLSA-N 291.303 1.212 0 50 CDAA O=C(c1cccc2nn[nH]c12)N1CC[C@@]2(CO)CCC[C@@H]12 924131041 ARZATJMGQXNIRX-IUODEOHRSA-N 286.335 1.335 0 50 CDAA Cn1nncc1NC(=O)Nc1cnn(C2CCCC2)c1 931277868 TYBMVBLCZWOLKK-UHFFFAOYSA-N 275.316 1.771 0 50 CDAA C[C@](O)(C(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2)c1ccc(F)cc1 936053595 OPJRSHUCAFJXAW-MRFFXNKRSA-N 293.338 1.405 0 50 CDAA CO[C@H](CN)C(=O)N1CCC[C@@H]1Cc1ccccc1 227363529 WHMCDHPHSNPNLI-ZIAGYGMSSA-N 262.353 1.194 0 50 CDAA CO[C@H](CN)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 227357077 KTHNWXKPUCKKIO-IAQYHMDHSA-N 276.380 1.716 0 50 CDAA COC[C@H](CO)NCc1ccccc1C(F)(F)F 234796373 QLCKSYSARQIDFK-JTQLQIEISA-N 263.259 1.802 0 50 CDAA C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1CC12CCNCC2 261961852 RXZJOOPGCXNIQM-IJLUTSLNSA-N 252.358 1.012 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)CCO1 567408816 DUWYYIWBJXIROT-MOLYVOAJSA-N 281.352 1.513 0 50 CDAA COc1ncc(Cl)c(N2C[C@@H](C)C[C@H](O)C2)n1 401545134 PBNDOYMCZNVNGA-YUMQZZPRSA-N 257.721 1.346 0 50 CDAA CCN1[C@@H](C)CN(Cc2nnnn2C(C)(C)C)C[C@H]1C 583651311 KPIPWYTUYGTVKW-TXEJJXNPSA-N 280.420 1.343 0 50 CDAA Cc1nc(C2CC2)sc1CC(=O)NO[C@H]1CCOC1 2325766427 OINZQVUERCMSGQ-JTQLQIEISA-N 282.365 1.708 0 50 CDAA O=C(Nc1nnc(C2CC2)s1)[C@H]1CCn2nncc2C1 2325789705 GYAARVMJXAUGMC-QMMMGPOBSA-N 290.352 1.208 0 50 CDAA COc1ccc(NC(=O)c2cnccn2)c(OC)c1 35627 NVVSUHVDLHRDBQ-UHFFFAOYSA-N 259.265 1.746 0 50 CDAA O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F 258317 YOECPINOZONGBJ-UHFFFAOYSA-N 287.312 1.699 0 50 CDAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1nccs1 373238 TTYCDMFAARNYKZ-YUMQZZPRSA-N 252.295 1.749 0 50 CDAA Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCC(=O)N3)ccc12 391922 GMVNXBGNKSQHIT-NSHDSACASA-N 286.287 1.319 0 50 CDAA investigational COc1ccc(C(=O)NC(=S)N2CCOCC2)cc1 437296 UFENNBDNRDJUBY-UHFFFAOYSA-N 280.349 1.042 0 50 CDAA COC(=O)C1=NN(C(=O)C(C)C)[C@@](O)(c2ccccc2)C1 448981 KDHPJZLITSFNOJ-HNNXBMFYSA-N 290.319 1.249 0 50 CDAA CCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1 475326 PMPTYBFGYDFLFU-UHFFFAOYSA-N 270.354 1.709 0 50 CDAA CCC(=O)N1CCN(c2ccc(Cl)cc2N)CC1 528333 ABJNOBGDZXNJBU-UHFFFAOYSA-N 267.760 1.981 0 50 CDAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3csc(=N)[nH]3)C[C@H]21 2356169740 XUNOXIWPIYZEAA-RBZYPMLTSA-N 295.408 1.569 0 50 CDAA CC(Nc1cccc(C)c1)=C1C(=O)NC(=O)NC1=O 6450549 UICJYNDTJVUDKJ-UHFFFAOYSA-N 259.265 1.047 0 50 CDAA CCn1cc(S(=O)(=O)Nc2cc(C)on2)cn1 6706459 ODTKKHXJDDKRAM-UHFFFAOYSA-N 256.287 1.000 0 50 CDAA Cn1c(SCC(=O)Nc2nccs2)nnc1C1CC1 6725508 HOJVNRVDXMDLSQ-UHFFFAOYSA-N 295.393 1.880 0 50 CDAA COCCNC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 9197815 QPFROXIENKYMAD-ZDUSSCGKSA-N 290.363 1.419 0 50 CDAA COc1ccc(OC)c(C(=O)N[C@@H]2CN3CCC2CC3)c1 118367740 PIRVMXMBHKHJCD-CQSZACIVSA-N 290.363 1.528 0 50 CDAA COc1ncccc1C(=O)N(C)Cc1cc(C2CC2)[nH]n1 20907793 HFSHUCVDJGJCNG-UHFFFAOYSA-N 286.335 1.963 0 50 CDAA CC1(C)C[C@H](NC(=O)NCc2ccc(C(N)=O)o2)CCO1 119466606 JSFHSSDVJIQVSR-SECBINFHSA-N 295.339 1.135 0 50 CDAA CCSCCC(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076034719 ONXUIEIVPFFLPA-NEPJUHHUSA-N 296.396 1.094 0 50 CDAA CCOC(=O)CN1CCCN(c2ccncc2C)CC1 67975568 XIYGXTYZULYWIR-UHFFFAOYSA-N 277.368 1.465 0 50 CDAA Cc1nc(CN)cc(N(C)CC[C@H](O)c2ccccc2)n1 67850289 SEUSWUMNYQFWAE-HNNXBMFYSA-N 286.379 1.804 0 50 CDAA O=c1cc(Cl)nc2n1CC[C@H](C(F)(F)F)N2 114867485 ISPPUVAQWCTKNO-SCSAIBSYSA-N 253.611 1.643 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnns1 252454968 MEFWZFVVVJAUNR-YIZRAAEISA-N 281.337 1.396 0 50 CDAA CCOC(=O)CN1CCC[C@@]2(CCN(C(=O)C3CC3)C2)C1 67713164 GVOLNQCLUXHTOK-MRXNPFEDSA-N 294.395 1.274 0 50 CDAA COCC(C)(C)CNC(=O)c1c(C)cc(C)[nH]c1=O 67805515 XJYVQVPWDOAGQJ-UHFFFAOYSA-N 266.341 1.394 0 50 CDAA CCc1nc(C)c(CNC(=O)[C@H]2C[C@@]23CCOC3)o1 332821744 DQPAEOSSDMOALV-QMTHXVAHSA-N 264.325 1.588 0 50 CDAA Cc1noc([C@@H]2CC[C@H](CNCc3c(C)noc3C)O2)n1 328629894 PHNIXBRLZRWQSK-YPMHNXCESA-N 292.339 1.993 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(c2ccnc(C)c2)C1 284544567 LZMNEMNAQJXSJF-NEPJUHHUSA-N 259.313 1.475 0 50 CDAA CCOCCN1CCN(C(=O)c2cccc(O)c2)C[C@H]1C 357287007 IJALGYQMLKMPAD-CYBMUJFWSA-N 292.379 1.575 0 50 CDAA O=C(C[C@H]1C=CS(=O)(=O)C1)NCCCc1ccccn1 219418748 YDEOEROXMDCSKW-GFCCVEGCSA-N 294.376 1.079 0 50 CDAA O=C(NCc1noc(Cc2cccs2)n1)[C@H]1CCCN1 215573031 WQJLFLVRLZGPGG-SNVBAGLBSA-N 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334655679 YRYSDXKPXLZJSM-SCZZXKLOSA-N 275.395 1.448 0 50 CDAA Cc1cc(C)c(CC(=O)Nc2nc(O)ncc2N)c(C)c1 1615058656 UDRMJZNFWVDLAE-UHFFFAOYSA-N 286.335 1.871 0 50 CDAA O=C(OC1CCC1)N1CCC[C@@](O)(C2(C(=O)O)CCC2)C1 1616039615 RZHBLCFTWNBHFX-HNNXBMFYSA-N 297.351 1.757 0 50 CDAA N=c1ccccn1CC(=O)N1CCc2ccccc21 368130219 KUAHUXVDVNMTFB-UHFFFAOYSA-N 253.305 1.557 0 50 CDAA Cc1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncn1 11903108 RPDZIYXBZIBCTA-UHFFFAOYSA-N 292.364 1.779 0 50 CDAA O=c1c2cnc3ncnn3c2ccn1CCc1cccs1 12391729 WGPRYFORIJUIFN-UHFFFAOYSA-N 297.343 1.743 0 50 CDAA C[C@H](C(=O)N(C)Cc1n[nH]c2c1CCCC2)n1ccnc1 19608176 BMRBURHPQFJRNW-LLVKDONJSA-N 287.367 1.705 0 50 CDAA CCc1cc(-c2ccncc2)nc(N2CCOCC2)n1 19721012 FMWFNBOWIQGTGK-UHFFFAOYSA-N 270.336 1.938 0 50 CDAA COC(=O)c1n[nH]c2cc(Br)cnc12 206025337 LRXKDBPNQMRGIN-UHFFFAOYSA-N 256.059 1.507 0 50 CDAA O=C(CCc1nc(C2CC2)no1)N=c1cc2n([nH]1)CCC2 1857527522 FAYLLRYBBBYCEP-UHFFFAOYSA-N 287.323 1.083 0 50 CDAA Cc1cc([C@@H]2CCCN2C(=O)c2nc(Cl)n(C)n2)no1 1857703168 XAWMLLIZBQBKAV-VIFPVBQESA-N 295.730 1.742 0 50 CDAA Cc1c(CNC(=O)[C@H]2CNCCOC2)oc2ccccc12 643702039 MWSGGBLRURPVCB-LBPRGKRZSA-N 288.347 1.593 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CCCN(CC(=O)O)C2)nc1 237646112 LZRMZXRNHWRPIX-NSHDSACASA-N 277.324 1.125 0 50 CDAA CN(C)c1nc(-c2cccc(CC(=O)O)c2)cc(=N)[nH]1 1875244732 RMMCMHNRUFARHC-UHFFFAOYSA-N 272.308 1.249 0 50 CDAA CN(Cc1cccc(O)c1)C(=O)[C@H]1CCc2cnn(C)c2C1 514566325 KOTRYFDTKBNFIV-ZDUSSCGKSA-N 299.374 1.889 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1cccnc1 227096386 VAYQGWYQAQKTLL-RDBSUJKOSA-N 288.347 1.868 0 50 CDAA CCc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)O)s1 237174523 OYAVQLRJKNJISD-LBPRGKRZSA-N 296.392 1.476 0 50 CDAA NC(=O)c1ccc(NC(=O)[C@@H]2CCc3ncncc3C2)cc1 648213951 FFZQIEDTICCCNE-LLVKDONJSA-N 296.330 1.319 0 50 CDAA CCNC(=O)Cc1nc(C2(c3ccncc3)CCC2)no1 656034339 ACCYVPOSZYCNET-UHFFFAOYSA-N 286.335 1.613 0 50 CDAA C[C@H]1C[C@H](C(=O)NCCn2cnccc2=O)CC(C)(C)C1 585130232 KTMHHGIAZBVNDM-STQMWFEESA-N 291.395 1.822 0 50 CDAA COCc1nccc(N2CC[C@H](N(C)C)[C@H]2C)n1 928995732 IYNHGTIAPYEZJA-MNOVXSKESA-N 250.346 1.152 0 50 CDAA c1c[nH]c(C2CCN(CCO[C@H]3CCOC3)CC2)n1 929803848 OWTVHBKXMZHJNW-ZDUSSCGKSA-N 265.357 1.395 0 50 CDAA C[C@@]1(C(=O)NCCn2cncn2)CCOc2ccccc21 931532224 CSGVDJOZOOIOLY-OAHLLOKOSA-N 286.335 1.135 0 50 CDAA CC(C)(C)OC(=O)N1C[C@H](C(=O)O)OCC12CC2 1857523547 JTEXOLYOMIHEJA-MRVPVSSYSA-N 257.286 1.240 0 50 CDAA COC(=O)Cc1cc(C(F)(F)F)c(Cl)nn1 1857780147 OGSAXJKEOSMIAT-UHFFFAOYSA-N 254.595 1.864 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CN)c(F)c1 237731350 CLXSWWHLOIEUSO-LLVKDONJSA-N 286.372 1.636 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](CN2CCCCC2)C1 237912558 CDHWWXDRFKCWHZ-SOUVJXGZSA-N 279.428 1.448 0 50 CDAA NC[C@@H]1CCCN(S(=O)(=O)CC2CCCC2)C1 262028581 JKSXBZAWBLSXIF-LBPRGKRZSA-N 260.403 1.177 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccc2nccn2c1 262758824 PVXXYQHDFPBGBJ-YPMHNXCESA-N 272.352 1.676 0 50 CDAA COCC1(C(=O)N2[C@H]3CC[C@H]2CC(O)=NC3)CCC1 328848324 YKIJYXNTZJTWDP-QWRGUYRKSA-N 266.341 1.523 0 50 CDAA Cc1nn(C[C@@H](O)Cn2cccn2)c(C)c1Br 330364448 OHUSZCLGSKZUGF-JTQLQIEISA-N 299.172 1.520 0 50 CDAA O=S(=O)(CCC1CCC1)N1CC[C@]2(CCCNC2)C1 334968251 QPIAEOIKKAJCTK-AWEZNQCLSA-N 286.441 1.582 0 50 CDAA O=C(Cc1c[nH]c2ccccc12)N1C[C@H](O)C2(CC2)C1 336111434 YNYRSSALOFUKAX-AWEZNQCLSA-N 270.332 1.694 0 50 CDAA Cc1cn(C)nc1CNCc1cn2ccsc2n1 723526547 QWDOZFIVCQEQNF-UHFFFAOYSA-N 261.354 1.728 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1n[nH]cc1-c1ccccc1 2325798029 IAVHRBKORHWIET-LBPRGKRZSA-N 271.320 1.986 0 50 CDAA O=C(c1cccc(-n2cccn2)c1)N1[C@H]2CCNC[C@H]1CC2 209900218 ZVSHJFHLRHVAJH-GDBMZVCRSA-N 296.374 1.839 0 50 CDAA COc1cc(OC)c(C(=O)CCC(=O)O)cc1OC 363577 MCVJECHMYXGLIU-UHFFFAOYSA-N 268.265 1.760 0 50 CDAA CCCCN1C(=O)N(C)[C@H]2[C@@H]1N(C)C(=O)N2CCCC 2475898 BSLPDPNWYWWKDM-VXGBXAGGSA-N 282.388 1.974 0 50 CDAA OC1CCN(c2nccn3c(-c4cccnc4)cnc23)CC1 2356161403 UQXHABQTYWBTBX-UHFFFAOYSA-N 295.346 1.752 0 50 CDAA CN1CCC[C@@]2(CCCN2C(=O)Cc2cccnc2)C1=O 2356162874 RXDMCQOOAGCSOA-MRXNPFEDSA-N 287.363 1.238 0 50 CDAA Cc1ccc(OCCOCCN(C)CCO)cc1 2981078 YICJNUBBLXTUEX-UHFFFAOYSA-N 253.342 1.315 0 50 CDAA COc1ccc(CC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 6731943 DGZVKKXGNVMJEZ-FZMZJTMJSA-N 263.337 1.921 0 50 CDAA COC(=O)C(=CNc1ccc2[nH]cnc2c1)C(=O)OC 100667821 XPRFXUQFABSEHK-UHFFFAOYSA-N 275.264 1.205 0 50 CDAA OC[C@H]1CCCCN1CCNC1CCSCC1 65501540 DLTZMPCSLKCXJJ-CYBMUJFWSA-N 258.431 1.318 0 50 CDAA CC(C)Cc1cc(CNC(=O)CCN2CCCCO2)no1 55224565 IBIXNZNADFTRFU-UHFFFAOYSA-N 295.383 1.907 0 50 CDAA CC[C@@H](Nc1cccc(OC)c1)C(=O)N1CC(O)C1 65409122 PYOMPBDCKXBZCP-CYBMUJFWSA-N 264.325 1.089 0 50 CDAA Cc1nnc(NC(=O)CNC(=O)c2ccccc2)s1 65363807 VGKHZORPXYTIAA-UHFFFAOYSA-N 276.321 1.215 0 50 CDAA Cc1cccc(Cl)c1OCCNC(=O)[C@@H]1CNC(=O)C1 20910532 FQMKOQSJMYVXMR-JTQLQIEISA-N 296.754 1.280 0 50 CDAA OCc1cn(CC2CCN(C3CCSCC3)CC2)nn1 20868031 GTRAZNYNTNTRRB-UHFFFAOYSA-N 296.440 1.378 0 50 CDAA O=C(N=c1cc[nH]cc1)c1c[nH]nc1-c1ccccn1 351726531 FPOMSUVQYZYEHH-UHFFFAOYSA-N 265.276 1.541 0 50 CDAA Nc1nc(CNC(=O)c2scc3c2OCCO3)cs1 20857388 MLUKMHVIGQWQDU-UHFFFAOYSA-N 297.361 1.488 0 50 CDAA Cc1noc(CN(C)C(=O)CSc2ccncc2)n1 67742229 VARMJFQINFDJKZ-UHFFFAOYSA-N 278.337 1.524 0 50 CDAA CN(C)C(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 67622971 JOEGRHWARZOOEG-UHFFFAOYSA-N 290.772 1.438 0 50 CDAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)Nc1nccs1 252671519 NKBGLXUSKXHDDP-AATLWQCWSA-N 295.364 1.852 0 50 CDAA COc1ccc(-n2cccn2)c([C@H]2NCCc3[nH]cnc32)c1 65534462 QBCIUCANEFOKCX-OAHLLOKOSA-N 295.346 1.839 0 50 CDAA O=c1c2cn[nH]c2ncn1Cc1ccc(Cl)cc1 67322115 WYYUYPJVUXFPPM-UHFFFAOYSA-N 260.684 1.821 0 50 CDAA CC(C)Cn1ccnc(N2CC[C@@H]3CNC[C@@H]3CC2)c1=O 314785227 QTFRQAXCWVILSS-OKILXGFUSA-N 290.411 1.335 0 50 CDAA NC(=O)c1coc(CNC(=O)c2ccc3cc[nH]c3n2)c1 428683644 FWDYYVXXMOGSTB-UHFFFAOYSA-N 284.275 1.185 0 50 CDAA Cn1c2ccc(CC(N)=O)cc2c2cc(CC(N)=O)ccc21 507731 TZUHSXRGUODGFD-UHFFFAOYSA-N 295.342 1.387 0 50 CDAA Cn1ncc(Br)c1C(=O)N1CCCC1 994406 YNJBPDCBOSAKOU-UHFFFAOYSA-N 258.119 1.419 0 50 CDAA Cc1c(NC(=O)N2CCOCC2)sc(=S)n1C 1424469 XWDPKQHXYJEGSH-UHFFFAOYSA-N 273.383 1.989 0 50 CDAA CC(=O)Nc1nc(C(=O)N2CCOC(C)(C)[C@H]2C)cs1 357922881 XJVOBVICHUPCCQ-MRVPVSSYSA-N 297.380 1.741 0 50 CDAA O=C1NCC[C@@H]1n1nnc(-c2cccc(C(F)(F)F)c2)n1 331633768 WGFBBEMIIPVZSY-VIFPVBQESA-N 297.240 1.420 0 50 CDAA CCc1nc(CN(C)C[C@@H]2CCc3nccn3C2)n[nH]1 328620867 AECGILGBFHCIMU-NSHDSACASA-N 274.372 1.258 0 50 CDAA C[C@H](Cc1ccccc1F)NCc1nnc2n1CCOC2 365160144 WKALOPFFBHFRDQ-LLVKDONJSA-N 290.342 1.668 0 50 CDAA Nc1ncccc1CN1Cc2ccccc2C[C@@H]1C(=O)O 215242732 FHMLWBRVWIAZJV-CQSZACIVSA-N 283.331 1.675 0 50 CDAA CN(Cc1ccon1)Cc1ccccc1OCC(=O)O 216002804 GDKYXDZMFWYGFB-UHFFFAOYSA-N 276.292 1.770 0 50 CDAA CC(C)c1nccn1CCC(=O)N[C@@H]1COCC1(C)C 456530231 BOAPTUWRCANACZ-GFCCVEGCSA-N 279.384 1.938 0 50 CDAA Cn1cc(CNc2ccccc2CN2CCOCC2)cn1 32519456 NMEMZDAMXWRKHD-UHFFFAOYSA-N 286.379 1.864 0 50 CDAA COc1cc(C)ccc1CNC(=O)C1(CN)CCOCC1 261930841 LPXZLYMAQZLSBZ-UHFFFAOYSA-N 292.379 1.375 0 50 CDAA COc1ccc(N(C)C(=O)CC[C@H]2CCOC2)cn1 176986228 UYDHOXFXIZXWHN-NSHDSACASA-N 264.325 1.870 0 50 CDAA Cc1cc(N(C)C[C@H](C)N2CCOCC2)n2nccc2n1 72409968 JMBSSWXZJMPONO-ZDUSSCGKSA-N 289.383 1.195 0 50 CDAA Cc1cnc([C@H](C)N2CCC[C@H](n3ccnn3)C2)o1 333418538 RGQKYYMNOYIGTR-RYUDHWBXSA-N 261.329 1.973 0 50 CDAA CC1(C)NC(=O)N(CCN2CC[C@@H](c3ccco3)C2)C1=O 374004025 UBRJXERIOMDKEO-LLVKDONJSA-N 291.351 1.399 0 50 CDAA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc[nH]c(=O)c1 123940926 ZZRHHJNPBBXFGO-GFCCVEGCSA-N 276.336 1.597 0 50 CDAA C[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cs2)[C@@H]1CN 237521166 VQXAWVMHOBYPLL-PSASIEDQSA-N 281.381 1.046 0 50 CDAA Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H]2CN)c1 237661433 NDLGKYANEPGZRW-NSHDSACASA-N 272.345 1.246 0 50 CDAA CCOCCCN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 159005214 HXBLLXUSBWQLAJ-CYBMUJFWSA-N 295.379 1.979 0 50 CDAA Cc1cc(C(=O)NC[C@H](C)Oc2cccnc2)cc(=O)[nH]1 215809636 PRSHTSLKOPTXEA-NSHDSACASA-N 287.319 1.276 0 50 CDAA O=C1NC[C@]2(CCCN(C(=O)c3cncc(F)c3)CC2)O1 72145713 CNJJYCOOASFMAM-CQSZACIVSA-N 293.298 1.325 0 50 CDAA COCc1cc(CN(C)[C@@H](C)C(=O)O)ccc1OC 219814232 AXECLPBLEOSEFC-JTQLQIEISA-N 267.325 1.747 0 50 CDAA C[C@H](NC(=O)Cc1cccnc1)c1cn2ncsc2n1 219957309 PEOFFYBQFCENIJ-VIFPVBQESA-N 287.348 1.606 0 50 CDAA C[C@H]1CN(C(=O)C2Cc3ccccc3C2)[C@@H](C)CN1C 336410513 SOQNDHNAELJGHS-STQMWFEESA-N 272.392 1.952 0 50 CDAA O=C(O)[C@@H](CNC(=O)[C@@H]1CC12CC2)c1ccc(F)cc1 263223243 PMHZEXHHXOUKIJ-RYUDHWBXSA-N 277.295 1.910 0 50 CDAA Cc1cc(C)n(CCN(C)Cc2cccnc2N)n1 215795163 BKQDHPQAJNPMHN-UHFFFAOYSA-N 259.357 1.609 0 50 CDAA COc1ccccc1CC(=O)NCC[C@H]1CCOC1 219625259 BKSDZXZXQZKVFD-LBPRGKRZSA-N 263.337 1.781 0 50 CDAA CCNC(=O)NC(=O)CN1CCC=C(c2ccccc2)C1 242001087 VCVOXRFFJYGAQF-UHFFFAOYSA-N 287.363 1.621 0 50 CDAA O=C(NC[C@@H]1CCC[C@@H](O)C1)[C@H]1CCCc2[nH]ncc21 246093173 KQONEQYQVIMRRJ-UTUOFQBUSA-N 277.368 1.497 0 50 CDAA CC(C)(C)C[C@@H](NC(=O)CNC(N)=O)c1cccnc1 222484858 KYGYZEKNPNKQNY-LLVKDONJSA-N 278.356 1.343 0 50 CDAA CC[C@H](NC(=O)c1cnc(C)cn1)c1ccnn1C 223849590 VRAQUMLQMNOODB-JTQLQIEISA-N 259.313 1.400 0 50 CDAA OCCOCCNc1ccc(C(F)(F)F)cn1 20513349 ZTTICBLNHQCDRK-UHFFFAOYSA-N 250.220 1.521 0 50 CDAA Cc1ccc(-c2ccc(C(=O)NC(C)(C)CO)cc2)nn1 426656849 CUMIGLZFVPODSR-UHFFFAOYSA-N 285.347 1.953 0 50 CDAA Cc1nnn(CC(=O)Nc2ccnn2C2CCCCC2)n1 48179554 DXFJKGQPDSIGGY-UHFFFAOYSA-N 289.343 1.322 0 50 CDAA CCc1nccn1CCCNC(=O)N(C)CCOC 426517573 LISSGLPZAVHQKM-UHFFFAOYSA-N 268.361 1.123 0 50 CDAA CNC[C@H]1CCN(C(=O)c2ccccc2OCCOC)C1 179020543 IZXUSFPUUBEGFC-CYBMUJFWSA-N 292.379 1.393 0 50 CDAA CC1(C)CN(C(=O)C2[C@@H]3CCC[C@@H]23)CC[S@@]1=O 227346856 OBXZYYRNILKJBD-YHTYYEMMSA-N 255.383 1.402 0 50 CDAA CCO[C@@H](C)C(=O)N1CC(c2nc3ccccc3[nH]2)C1 426547708 XCARGFMXOIOEHB-JTQLQIEISA-N 273.336 1.914 0 50 CDAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cccc(F)c1F 222794689 RCSDWJVQHOLBJP-GGVZMXCHSA-N 253.248 1.872 0 50 CDAA O=C(NC[C@H]1CCCC1(F)F)N[C@H]1CCCOC1 333306083 CVLZIYSQXIZUEY-ZJUUUORDSA-N 262.300 1.900 0 50 CDAA CO[C@H](C)C(=O)NCC1(COc2ccccc2)CC1 426369386 RNZAGMBAQDYVPP-GFCCVEGCSA-N 263.337 1.997 0 50 CDAA 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1.475 0 50 CDAA CSC(C)(C)CNC(=O)c1cn(C)nc1[C@@H]1CCOC1 275880025 KWLDFGQZYUBEIP-SNVBAGLBSA-N 297.424 1.795 0 50 CDAA COc1nnc(NC(=O)N2C[C@H]3CCCN3C[C@H]2C)s1 276557561 PBRNOIJIFIGOPT-RKDXNWHRSA-N 297.384 1.247 0 50 CDAA O=C(N[C@@H]1CCCOc2c(F)cccc21)[C@H]1CCCN1 169812974 MDVMLKNZHKKHBM-CHWSQXEVSA-N 278.327 1.908 0 50 CDAA CCC[C@H](C)S(=O)(=O)Oc1cccc(-n2cnnn2)c1 170613285 HSVMVMADHSHUQS-JTQLQIEISA-N 296.352 1.560 0 50 CDAA Cc1nnc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)o1 281618635 HJQSHEXWQFHLNB-CHWSQXEVSA-N 277.299 1.825 0 50 CDAA CC(C)(C)OC(=O)N1CCc2cnc(N)nc2C1 95705134 NAGPTLKYUQPBNW-UHFFFAOYSA-N 250.302 1.352 0 50 CDAA in-vitro NC(=O)c1ccc(I)cc1F 96282172 SJSZOCWMOIOMSY-UHFFFAOYSA-N 265.025 1.529 0 50 CDAA CCOC(=O)CC[C@@H](CC(=O)OCC)C(=O)OCC 96341799 CKNUUYLRWBMMIE-JTQLQIEISA-N 274.313 1.462 0 50 CDAA in-vitro C[C@@H]1OCCC[C@@H]1C(=O)NCc1cccnc1N(C)C 188677641 KLXHLTNEGPGTED-AAEUAGOBSA-N 277.368 1.579 0 50 CDAA Cn1ccnc(N2CC(Nc3ccc(F)cc3)C2)c1=O 585092838 PWCCYZHGZYVYNQ-UHFFFAOYSA-N 274.299 1.220 0 50 CDAA Cc1co[nH]c1=NC(=O)C1CCN(C(=O)C(C)C)CC1 408354722 JAKSTAFKZXLRCP-UHFFFAOYSA-N 279.340 1.238 0 50 CDAA COCCOc1cccc(C(=O)N[C@@H](C)C2(CO)CC2)c1 585113616 SJYHCHQJEUGFHE-LBPRGKRZSA-N 293.363 1.603 0 50 CDAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@H](c2ccco2)C1 408422396 HYXITVYVBZIATJ-BYNQJWBRSA-N 277.320 1.747 0 50 CDAA CC1(C)C[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)CCO1 408517907 OVOYFHCSAAQPFD-SNVBAGLBSA-N 291.351 1.747 0 50 CDAA CN(Cc1cccnc1)C[C@H]1CCN(Cc2cncn2C)C1 190491667 LSPQRJZGJLGWFD-MRXNPFEDSA-N 299.422 1.769 0 50 CDAA COCCCNC(=O)c1nc2ccc(Cl)cc2n1C 225552743 VDIGEMRUPVCBKT-UHFFFAOYSA-N 281.743 1.993 0 50 CDAA CCO[C@H]1C[C@](O)(CNC(=O)c2ccc[nH]2)C1(C)C 191691508 VLWSTJAOHCPDPU-FZMZJTMJSA-N 266.341 1.311 0 50 CDAA CC[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)OC 192859671 KJXNOLXFPLBOCN-BDAKNGLRSA-N 296.289 1.081 0 50 CDAA Cn1cc(CC(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)cn1 653327804 AEAMETXBFNSVEV-ZIAGYGMSSA-N 299.330 1.392 0 50 CDAA O=C(c1cnc2ccccn2c1=O)N1C[C@H]2CC=CC[C@H]2C1 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1.414 0 50 CDAA Cn1ccc(CN2CC[C@H](N=c3ccc4nccn4[nH]3)C2)c1 434533994 FVKISAVPXKXILN-AWEZNQCLSA-N 296.378 1.176 0 50 CDAA COc1cc(F)cc(NC(=O)[C@@H]2CCCCN2)c1 237114652 USPFHRYJTCXALN-LBPRGKRZSA-N 252.289 1.915 0 50 CDAA Cc1cccc(C[C@H](CNC(=O)[C@@H]2CCOC2)C(=O)O)c1 237671097 CCAPPNYXZHQJAO-ZIAGYGMSSA-N 291.347 1.391 0 50 CDAA COc1ccc(Cl)cc1CN1CCOC[C@H]1CC(N)=O 449772437 KZOCFAQNJIINGL-GFCCVEGCSA-N 298.770 1.425 0 50 CDAA COC(=O)[C@]12CCNC[C@H]1N(C(=O)OC(C)(C)C)CC2 238801072 XNWFUTXQCYIPOV-YGRLFVJLSA-N 284.356 1.149 0 50 CDAA Cn1ccc(NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)n1 665591008 VPHOZXJZVPATOJ-ZYHUDNBSSA-N 289.339 1.260 0 50 CDAA COC(=O)[C@](C)(CNC(=O)[C@H]1C[C@H]1C)c1ccccc1 248715771 ALOWKLDTEOHDCN-PVXIVEMSSA-N 275.348 1.890 0 50 CDAA COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)CC(C)C)O1 252478594 AQAZLXPLWHJHLN-RNJOBUHISA-N 283.368 1.743 0 50 CDAA CC(C)c1cc(C(=O)NCc2ccc(C(=O)O)o2)n[nH]1 262077981 ANDGZWGWNACYKW-UHFFFAOYSA-N 277.280 1.754 0 50 CDAA Cc1cc(C(=O)N2CC[C@@](CF)(C(=O)O)C2)c(C)o1 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255.337 1.677 0 50 CDAA CCC(=O)Nc1nc2[nH]c(C(C)(C)C)cc(=O)n2n1 100661834 JHOSPUBQIMQPLO-UHFFFAOYSA-N 263.301 1.064 0 50 CDAA CC(C)[C@@H]1CCN1C(=O)c1cnn(-c2ccccn2)c1N 345452301 HZQUQLYJPRDZEA-LBPRGKRZSA-N 285.351 1.720 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NC(=O)C(=O)c2ccco2)n1 20537491 QTWPFYJNDATXAG-SNVBAGLBSA-N 275.308 1.481 0 50 CDAA Cc1cc(CNC(=O)c2ccccc2N(C)C)[nH]n1 20601378 QICCKHQAFGZHOL-UHFFFAOYSA-N 258.325 1.714 0 50 CDAA CN(C)C(=O)c1cccc(N(C)Cc2cscn2)n1 1506405656 WGPCBXMJKHVNDO-UHFFFAOYSA-N 276.365 1.876 0 50 CDAA Cc1nc(C)c(C)c(N[C@@H]2CCS(=O)(=O)C2)n1 301687235 MDAFKAGENHHPAE-SNVBAGLBSA-N 255.343 1.001 0 50 CDAA COc1cccc(OCC(=O)NC[C@H]2CCCN(C)C2)c1 67604972 SXNXFKZHDJABQB-CYBMUJFWSA-N 292.379 1.532 0 50 CDAA CC(C)OCCNCCC(=O)NC1CCCCC1 65386843 RWTDHBFSYPUNDN-UHFFFAOYSA-N 256.390 1.840 0 50 CDAA COCc1ncc(CN2CCC[C@@]3(CCN(C)C3)C2)cn1 67833866 GTMXWJLJFUZHOA-INIZCTEOSA-N 290.411 1.541 0 50 CDAA CCC[C@H](C)CN1CCC(n2cc(CO)nn2)CC1 63847042 MRCFVJLCYATGAM-LBPRGKRZSA-N 266.389 1.844 0 50 CDAA COC(=O)C[C@H](C)C(=O)N[C@H]1CCC[C@@H](SC)C1 229878340 UXCAQHNABMVYAW-GARJFASQSA-N 273.398 1.976 0 50 CDAA FC(F)(F)Oc1ccccc1CN1CCNCC1 22942234 AWMKJBNANKOBIA-UHFFFAOYSA-N 260.259 1.990 0 50 CDAA Cc1nc(CCN)cc(N(C)C[C@]2(C)CCN(C)C2)n1 67754556 SDRLXPYHSXNDFN-OAHLLOKOSA-N 277.416 1.064 0 50 CDAA NC(=O)c1ccc(CN2CCCC[C@@H]2c2nc[nH]n2)cc1 121712331 ACPLJAYEGNWBEJ-CYBMUJFWSA-N 285.351 1.631 0 50 CDAA CC/C=C\CCCN1C[C@@H]2CN(C)C[C@]2(C(=O)O)C1 65434234 WXUGNZXMFWPUGN-CWHGNCJQSA-N 266.385 1.681 0 50 CDAA CN1CCN(C(=O)CCc2ccncc2)C[C@@H]1c1ncc[nH]1 328626192 LLYDWGKOXAFIBE-CQSZACIVSA-N 299.378 1.253 0 50 CDAA COc1ccccc1CC(=O)N1C[C@@H](C)O[C@H](C)C1 30167 UOQGXAMASGLFKS-VXGBXAGGSA-N 263.337 1.874 0 50 CDAA Cc1cc(N(C)Cc2ccoc2)nc(N2CCOCC2)n1 65410101 LALGEVCCADFQHZ-UHFFFAOYSA-N 288.351 1.851 0 50 CDAA CC1=NO[C@@](C)(CNC(=O)c2cc(CC(C)C)nn2C)C1 65372670 BSZYCTSWHVXSAR-OAHLLOKOSA-N 292.383 1.903 0 50 CDAA CO[C@H](CNC(=O)N(C)Cc1nnc[nH]1)c1ccccc1 284111154 PFRSVZBKKQZRPD-GFCCVEGCSA-N 289.339 1.334 0 50 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278.352 1.275 0 50 CDAA O=C(NC[C@H]1CCCOC1)c1n[nH]c(=O)c2ccccc12 38046521 HCWHDVPKOBFGKK-SNVBAGLBSA-N 287.319 1.080 0 50 CDAA CCc1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)[nH]1 219274117 SKNANUPFAHNYSI-NSHDSACASA-N 263.341 1.316 0 50 CDAA CN(C[C@H](O)CO)c1cc(-c2ccccc2)nc2ccnn12 72438302 FRNSCXAUWAAPOC-ZDUSSCGKSA-N 298.346 1.186 0 50 CDAA C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H](c2ccsc2)O1 241911295 UBHQYNJENRTYJS-SKDRFNHKSA-N 292.364 1.479 0 50 CDAA Cc1nc2cc(CNC(=O)[C@H]3CC[C@@H](N)C3)ccc2n1C 72477009 LTTRJWKQGIGTES-QWHCGFSZSA-N 286.379 1.625 0 50 CDAA Cc1n[nH]c(=NCC2(CN3CCOCC3)CCCCC2)o1 342510099 LYLOVZXLPVJUKR-UHFFFAOYSA-N 294.399 1.495 0 50 CDAA C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Cc1cnnn1C 611786380 OYNQSHDQFNIXEK-HIFRSBDPSA-N 298.390 1.837 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2cc(F)cc3[nH]cnc23)C1 178961678 MLASRKWAKPVZGM-VIFPVBQESA-N 276.315 1.384 0 50 CDAA Cc1cccc2oc(CNC(=O)[C@@H]3CCC(=O)N3)nc12 223019277 SJCQOUBDEPOTRU-VIFPVBQESA-N 273.292 1.031 0 50 CDAA Cc1c(CN2CCN3CCN(C)C[C@H]3C2)[nH]c2ccccc12 225316717 WGDLXMRJUIWEJG-HNNXBMFYSA-N 298.434 1.908 0 50 CDAA C[C@@H](CN1CCCC1)C(=O)N1CCC(C)(C(=O)O)CC1 426501908 RVRHKPILGHCCAU-LBPRGKRZSA-N 282.384 1.432 0 50 CDAA N[C@@H]1CCCCN(C(=O)CCn2cc(Cl)cn2)C1 82097347 UIYPROOSFWBGLO-LLVKDONJSA-N 270.764 1.266 0 50 CDAA Cc1cccnc1NCCNC(=O)CCCC(=O)O 426538385 LPHSOICBOFCYDE-UHFFFAOYSA-N 265.313 1.173 0 50 CDAA Cc1nccn1[C@H](C)CC(=O)N1CC(n2cccn2)C1 426518367 SEEUFSICAZFBCS-LLVKDONJSA-N 273.340 1.423 0 50 CDAA CC(C)c1cc(CN(C)C(=O)CN2CCN(C)C2=O)no1 426541436 PCJKIEQSBGOWSQ-UHFFFAOYSA-N 294.355 1.124 0 50 CDAA CC[C@@H](NC(=O)c1ccc(O)c(C)c1)[C@H]1C[C@@H](O)C1 220577368 IWMOKHMYYCGYDS-JHJVBQTASA-N 263.337 1.980 0 50 CDAA CC(C)Oc1ccc(C(=O)N[C@@](C)(C(=O)O)C2CC2)cn1 538504526 BVCUXTSYSVKDMP-OAHLLOKOSA-N 292.335 1.852 0 50 CDAA CC(C)(C)CCC(=O)NCCc1noc(CO)n1 426707247 QPSDCLYWCOASTA-UHFFFAOYSA-N 255.318 1.047 0 50 CDAA CN1CCN(C2(CNc3ccncn3)CCCC2)CC1 91713847 PLPSVGFAZOEPRR-UHFFFAOYSA-N 275.400 1.449 0 50 CDAA CC(C)(C)c1cc(CN2CC[C@](C)(O)[C@@H](O)C2)n[nH]1 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C[C@@H]1C[C@@H](NCc2nncn2-c2ccccc2)[C@@H](C)O1 296284619 FKHXGCFFTVXXMQ-YRGRVCCFSA-N 272.352 1.923 0 50 CDAA NC[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2F)n1 238053911 MLFSAGRWRIBHGD-LLVKDONJSA-N 288.326 1.575 0 50 CDAA CC(C)(C)OC(=O)N1CCCC[C@]12CNC(=O)C2 91304187 UDYQKDLGHFIANF-ZDUSSCGKSA-N 254.330 1.666 0 50 CDAA COc1c[nH]c(C(=O)NCCc2ccc(O)cc2)cc1=O 524733036 NPNFUNLKKZOTLR-UHFFFAOYSA-N 288.303 1.062 0 50 CDAA Cc1ccccc1CNC(=O)CN1CCO[C@@H](C2CC2)C1 252491584 LOBWFHYZIWXWOE-MRXNPFEDSA-N 288.391 1.722 0 50 CDAA COC(=O)[C@@H]1C[C@@H](OCC2CC2)CN1C(=O)OC(C)(C)C 601014410 MJSYWJURTSOPCV-NEPJUHHUSA-N 299.367 1.964 0 50 CDAA NC[C@@H]1CCN(S(=O)(=O)c2cc3ccccc3s2)C1 534676285 OULWJBHGMMLTLE-JTQLQIEISA-N 296.417 1.871 0 50 CDAA CN(C)CCN1CC(=O)Nc2c(Cl)cccc2C1=O 534669419 RMVSZUMFENQETO-UHFFFAOYSA-N 281.743 1.296 0 50 CDAA Cc1cc(=O)cc(C(=O)NCC[C@H]2CCCOC2)[nH]1 534669264 YJRQIWLHUVOVQW-LLVKDONJSA-N 264.325 1.230 0 50 CDAA Cc1n[nH]nc1C(=O)N[C@H]1CCCN(C2CCCC2)C1 299778945 QVZIKLBWYKJRNI-NSHDSACASA-N 277.372 1.250 0 50 CDAA Cc1cc(C)n(CCN(C)C(=O)c2cncc(O)c2)n1 584885682 FHLWBXKFZOEBCO-UHFFFAOYSA-N 274.324 1.373 0 50 CDAA Cc1nc2ccc(C(=O)N(C)C[C@H]3CCOC3)cc2[nH]1 584892202 FMLSHUACZFDMKG-LLVKDONJSA-N 273.336 1.980 0 50 CDAA Cc1nn(C)c(C)c1CN(C)C(=O)c1cncnc1 584903729 BLWKDEQFUCEVBB-UHFFFAOYSA-N 259.313 1.099 0 50 CDAA CCN(C)[C@@H](C)C(=O)N(C)Cc1cc(C)cc(C)n1 670444966 FSSBEHHTOARGJY-ZDUSSCGKSA-N 263.385 1.997 0 50 CDAA O=C(O)c1cc2c(N3CCC4(CCC4)C3)[nH]cnc-2n1 1875283283 MKCYXYJQRGHXNJ-UHFFFAOYSA-N 272.308 1.988 0 50 CDAA O=C(N[C@H]1C[C@@H](C(=O)O)[C@@H]2C[C@H]12)[C@@H]1CC[C@H]2CC[C@H]1O2 1875291551 DJXYFSZMXSQOKS-BYOMWJCZSA-N 279.336 1.169 0 50 CDAA C=CC(=O)N1CC(C(=O)N[C@H]2CC[C@]3(C2)CC3(F)F)C1 1875387478 JWGZHMQSVNOHII-GWCFXTLKSA-N 284.306 1.325 0 50 CDAA Cc1ccc(C(C)C)c(OCCC(=O)NS(C)(=O)=O)c1 1875390790 KZBKVONBSSAPRV-UHFFFAOYSA-N 299.392 1.963 0 50 CDAA O=C(Nc1cnnn1C1CC1)c1ccc(C2CC2)nc1O 1875396653 QDUCLMXBDHFVOQ-UHFFFAOYSA-N 285.307 1.843 0 50 CDAA OC1CC2(C1)C[C@H]2NC1=NC[C@@H](c2c(F)cccc2F)N1 1875405376 FFDASBNFOARIGT-WUAGUCDZSA-N 293.317 1.468 0 50 CDAA Fc1ccc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)nc1 952890479 VBFXYKLKPYOUAU-KWQFWETISA-N 263.276 1.529 0 50 CDAA CC(C)c1cc(C(=O)NCCc2cccn2C)nc(N)n1 952872748 SSMHDZJVCFUOEN-UHFFFAOYSA-N 287.367 1.493 0 50 CDAA CC(=O)[C@](C)(O)CN1Cc2cccnc2N2CCC[C@H]2C1 879691701 HZIXFQQWXVJAAZ-GOEBONIOSA-N 289.379 1.206 0 50 CDAA CCCc1noc(CN(C)C(=O)Cn2cccc2)n1 952975398 IRTVBMYWXLHDPS-UHFFFAOYSA-N 262.313 1.482 0 50 CDAA CCN(Cc1nc(C)c(C)n1C)[C@@H]1CCS(=O)(=O)C1 952982623 QAXQFIAHSVGONL-GFCCVEGCSA-N 285.413 1.046 0 50 CDAA CCc1cnc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)o1 889397876 UMXKQQAOQQDBNG-SNVBAGLBSA-N 291.351 1.967 0 50 CDAA CC(C)OC(=O)CNC(=O)c1ccc2c(n1)CCCN2 894304393 BPSCWNBEOJCHTQ-UHFFFAOYSA-N 277.324 1.121 0 50 CDAA CCOCC(=O)N1C[C@H](OC)C[C@H]1COc1cccnc1 1775957409 STEKXRIRKFKCJO-GXTWGEPZSA-N 294.351 1.113 0 50 CDAA CN(C)c1cccnc1C(=O)N1CCn2nccc2C1 1418526203 HOUJLCBMUCTCBB-UHFFFAOYSA-N 271.324 1.000 0 50 CDAA O=C(NCCCn1ccnc1)[C@H]1CCCC[C@H]1C(=O)O 38202186 ARZXFJDUJWRLJI-NWDGAFQWSA-N 279.340 1.280 0 50 CDAA S=C(NCCCN1CCOCC1)NC1CCCCC1 19681788 YVSUOUVTRZXITB-UHFFFAOYSA-N 285.457 1.506 0 50 CDAA CCOC(=O)CC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 83291696 SHPVYSDLQWCDJP-JTQLQIEISA-N 285.340 1.908 0 50 CDAA in-vitro CNC(=O)C1CN(C(=O)c2ccc3ccccc3c2O)C1 186111564 XWMRNUDHTRBPTO-UHFFFAOYSA-N 284.315 1.363 0 50 CDAA N[C@@H]1CCCN(C(=O)c2c(F)cc(F)cc2F)C1 86997898 VGQJZNFXUPAQCX-MRVPVSSYSA-N 258.243 1.667 0 50 CDAA CC(C)(C)[C@@H](O)CNC(=O)c1c(O)cccc1F 170599271 MNAOXXSBIPCTTK-JTQLQIEISA-N 255.289 1.668 0 50 CDAA C[C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCNC3)n[nH]2)CC1 279017203 OFSPKFLPXABVNE-IJLUTSLNSA-N 276.384 1.795 0 50 CDAA COC(=O)CNC(=O)[C@H](C)c1ccc(Cl)s1 170653909 CWDVJWJTTKDYRU-ZCFIWIBFSA-N 261.730 1.794 0 50 CDAA CCS(=O)(=O)c1ccc(N2CC[C@@H](C)[C@H](O)C2)cc1 170604528 IZRSLZQRORUENT-BXUZGUMPSA-N 283.393 1.687 0 50 CDAA COC(=O)[C@H]1C[C@@H]1C(=O)Nc1nnc(C(F)(F)F)s1 170752865 XYYITOHOWCIYBL-IMJSIDKUSA-N 295.242 1.305 0 50 CDAA CCCCS(=O)(=O)N[C@@]12CCCC[C@@H]1NCC2 725264467 PLEUJFYWTCYTOK-NWDGAFQWSA-N 260.403 1.381 0 50 CDAA CCn1cnc2c(c1=O)CCN(c1cc(C(C)C)ncn1)C2 672318943 BVHAIYNEQMEUJB-UHFFFAOYSA-N 299.378 1.739 0 50 CDAA COc1ccc2c(c1)[C@H](NC[C@H](CO)[C@H]1CCOC1)CC2 280798630 IFFYMOMUEBBSMJ-JJRVBVJISA-N 291.391 1.917 0 50 CDAA CCc1cccnc1C(=O)N[C@H]1CCC(=O)N[C@H]1C 281668934 CIUKYDYDOJYNRI-ONGXEEELSA-N 261.325 1.041 0 50 CDAA N[C@@H](CC1CCCCC1)C(=O)N1CCC(O)CC1 302421807 QZEYOUZTOZHOLN-ZDUSSCGKSA-N 254.374 1.267 0 50 CDAA Cc1cccc(NC(=O)N2CCC[C@]23CCNC3=O)n1 583651349 LGLYRAQYAURHFE-CQSZACIVSA-N 274.324 1.276 0 50 CDAA C[C@@H]1CN(C(=O)[C@H](C)Cc2ccccc2F)CCN1 188470997 SQUMBMYVZNCVAC-VXGBXAGGSA-N 264.344 1.825 0 50 CDAA C/C(=C\C(=O)N1CCO[C@@H](C(=O)O)C1)c1cccc(F)c1 584908059 NDSBZVPWVBIVCT-UTSBKAFOSA-N 293.294 1.541 0 50 CDAA CCS[C@H]1CCCCN(C(=O)c2cc(=O)n(C)cn2)C1 585132128 OQSNLISAEQHDHN-NSHDSACASA-N 295.408 1.528 0 50 CDAA N[C@@H]1CCCN(c2nc(C(F)(F)F)nc3[nH]cnc23)C1 642986915 OKNBOKCSNMCMKG-ZCFIWIBFSA-N 286.261 1.299 0 50 CDAA CCC1(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)COC1 562829320 TYEPGHMNYDRKBV-CYBMUJFWSA-N 288.347 1.576 0 50 CDAA Cc1cccc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1F 194030082 WOQWVHNICMRCRU-CHWSQXEVSA-N 294.370 1.661 0 50 CDAA C[C@H](O)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)CC1 195542344 IGHSFRYLJWTOAE-MXAVVETBSA-N 280.412 1.527 0 50 CDAA OCC1(CNC[C@H](O)c2cc(F)ccc2F)CCC1 717686624 KOTOARIXJKGRJI-ZDUSSCGKSA-N 271.307 1.750 0 50 CDAA Clc1cccnc1N1CCN(Cc2c[nH]cn2)CC1 97655376 IPKJQNAZUDSZIN-UHFFFAOYSA-N 277.759 1.780 0 50 CDAA COCCOC1CCN(CCn2nccc2C)CC1 1506415789 CQNISZAOAONKDY-UHFFFAOYSA-N 267.373 1.319 0 50 CDAA Cc1cnc(NCCCn2ccnc2)nc1N(C)C 1529159245 QZFKPWPJUAQIPH-UHFFFAOYSA-N 260.345 1.550 0 50 CDAA O=C(CCNC[C@@H]1CCCC[C@@H]1O)NCc1ccco1 209831820 JKELVGXMCOIDMX-JSGCOSHPSA-N 280.368 1.427 0 50 CDAA Nc1cccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)n1 1800411385 IQAYAUMIIHGHAL-INIZCTEOSA-N 297.362 1.507 0 50 CDAA Cc1cnccc1N1CC[C@@]2(C(=O)O)CCCN(C)[C@@H]2C1 1704301168 NHAWAANOWCPXGN-ZBFHGGJFSA-N 289.379 1.765 0 50 CDAA CC1(C)CCC[C@@H](CC(=O)NC[C@]2(O)CCOC2)C1 407999196 UZWFPHTVQUKPOG-SWLSCSKDSA-N 269.385 1.861 0 50 CDAA C[C@H]1N(Cc2nnnn2CC(F)(F)F)CCOC1(C)C 408378376 DMPVCRMSLWBADE-MRVPVSSYSA-N 293.293 1.235 0 50 CDAA O=c1nc[nH]c2sc(I)cc12 238591282 YQYGTSPBLUKQIG-UHFFFAOYSA-N 278.074 1.589 0 50 CDAA CCCN(CC(=O)OC)C(=O)c1cnn(C(C)(C)C)c1C 264063530 WLRCUMUCLGUNBD-UHFFFAOYSA-N 295.383 1.972 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cnn2cccc(C)c12 1772709745 MSVPRHXXOHEMRM-CHWSQXEVSA-N 289.335 1.176 0 50 CDAA Cc1cc(C)n(CCNC(=O)[C@@H]2CC(=O)c3ccccc32)n1 19218825 FDKKPMZVHMKKKI-OAHLLOKOSA-N 297.358 1.986 0 50 CDAA Cn1nc(C(=O)O)nc1N1CC[C@@H](Oc2ccccc2)C1 1857678050 ALIWLEIZNDGVDD-LLVKDONJSA-N 288.307 1.171 0 50 CDAA c1cc(N2CCN3[C@@H](C4CC4)COC[C@H]3C2)c2cn[nH]c2n1 1875251583 XIRJEYBRDAWJLS-IUODEOHRSA-N 299.378 1.257 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1 4506033 WBGVVXSCGNGJFL-UHFFFAOYSA-N 258.343 1.308 0 50 CDAA in-vitro C[C@H]1CCCCN1C(=O)CN[C@@H]1CCCn2nccc21 640216410 ACWGSMNAAWCZKN-QWHCGFSZSA-N 276.384 1.709 0 50 CDAA Cn1ncnc1NS(=O)(=O)c1cccc2ccccc12 126955175 BZZGCOVQNWKNJY-UHFFFAOYSA-N 288.332 1.769 0 50 CDAA O=C1NCC[C@@H]1N[C@@H](C[C@@H]1CCOC1)c1ccccc1 248800087 ZZTWAMPBWNLWEN-QEJZJMRPSA-N 274.364 1.632 0 50 CDAA COCCC(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 250487347 ZTRYHNYDJZSJPP-MXWKQRLJSA-N 255.314 1.267 0 50 CDAA C[C@@H]1C[C@H]1c1nc(-c2ccnc(S(C)(=O)=O)c2)no1 680733511 CGEZJBANUXINTA-VXNVDRBHSA-N 279.321 1.659 0 50 CDAA C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@H]1C[C@@H]1C(=O)O 262613893 LOCFRMVZQGXLSL-SAXRGWBVSA-N 289.331 1.696 0 50 CDAA Cn1ncc(C(=O)Nc2nnc(C3CC3)n2C)c1C(F)F 585113328 ONIVAABSYJYQQS-UHFFFAOYSA-N 296.281 1.616 0 50 CDAA Cn1c(C(=O)N2CCC[C@H](CCC(=O)O)C2)cccc1=O 262843847 ANTARTPCVJFUSF-LLVKDONJSA-N 292.335 1.102 0 50 CDAA O=C1CCCCN1CC(=O)N1CCCC[C@H]1c1ncc[nH]1 263763037 RLTWMUOJSOSTGG-LBPRGKRZSA-N 290.367 1.476 0 50 CDAA O=C(N[C@@H]1CCCn2nccc21)c1ccn2nccc2n1 913781214 FZKVYHFDGCJEAM-SNVBAGLBSA-N 282.307 1.191 0 50 CDAA O=C(CCC(F)(F)F)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775982852 QAYBPCCPPVXXPU-AYMMMOKOSA-N 251.248 1.558 0 50 CDAA Cc1cc(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)on1 221022269 UNMZVTWTXORFAZ-DCAQKATOSA-N 278.308 1.841 0 50 CDAA CCOCCCNC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 114910238 IUDWWPTUQYESIN-GFCCVEGCSA-N 280.372 1.725 0 50 CDAA Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2C(=O)O)n1 37437216 LSZLTNQHBHSKMZ-GFCCVEGCSA-N 279.340 1.356 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H](C)C(F)(F)F)C[C@H]1C(=O)O 263223730 PPLIGJMOEHPFEY-FSDSQADBSA-N 253.220 1.364 0 50 CDAA C[C@@H]1CN(C2CC2)CCN1C(=O)CCc1cc(Cl)no1 2100555968 ALGNWOKJCFITPD-SNVBAGLBSA-N 297.786 1.956 0 50 CDAA O=C1NCc2cccc(C(=O)N3CC4(CCCC4)C3)c21 2325887730 MBOLMURJMVIEPV-UHFFFAOYSA-N 270.332 1.946 0 50 CDAA O=C(NCC1CCNCC1)c1ccc(-c2cn[nH]c2)cn1 876507449 GAXYWJOPYLNPGL-UHFFFAOYSA-N 285.351 1.201 0 50 CDAA C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C[C@@H]1CCCC(=O)N1 899406615 MZFKCRBMBNYGBJ-NAWOPXAZSA-N 264.369 1.454 0 50 CDAA CN1CC[C@@H](CNC(=O)c2ccc(Cn3ccnc3)cc2)C1 109850207 QIMVHHMGQMJYHO-HNNXBMFYSA-N 298.390 1.613 0 50 CDAA CCc1ccc(NC(=O)[C@H]2CC(=O)N=C(N)S2)cc1 207407 DLULPFLQXSPPHR-SNVBAGLBSA-N 277.349 1.534 0 50 CDAA O=C1C[C@@H]2[C@@H](C[C@H](OC(=O)c3ccccc3)[C@H]2CO)O1 403151 OBRRYUZUDKVCOO-RVMXOQNASA-N 276.288 1.156 0 50 CDAA CCC(=O)c1c(OCC(N)=O)ccc2c(C)cc(=O)oc12 485657 CDAGNFJWYDJJTA-UHFFFAOYSA-N 289.287 1.558 0 50 CDAA biogenic CC(=O)c1ccccc1OC[C@H](O)Cn1ccnc1 1077113 IKEGDOHZCUFTKW-GFCCVEGCSA-N 260.293 1.526 0 50 CDAA CCOCC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 2191136 PADUFCJXKHCGIY-UHFFFAOYSA-N 295.291 1.235 0 50 CDAA O=C(NC(=S)N1CCCCCC1)c1cccnc1 2462000 WQQATTNQPWOCTB-UHFFFAOYSA-N 263.366 1.972 0 50 CDAA CCOCc1nnc(NC(=O)[C@H]2CCCO2)s1 2734598 XFGPZUDSDNPMIN-SSDOTTSWSA-N 257.315 1.192 0 50 CDAA CCc1noc(C)c1C(=O)N1CCC[C@]12CCCNC2=O 2356166982 QMLOUIHMJUWJOX-HNNXBMFYSA-N 291.351 1.430 0 50 CDAA CCOC(=O)[C@H](C)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 246822288 NUAGYNOMYKZNEN-GUTXKFCHSA-N 280.412 1.887 0 50 CDAA COc1cc(S(=O)(=O)N2CCCC2)c(OC)cc1C 6701340 SPOVAQCYBKPMMI-UHFFFAOYSA-N 285.365 1.797 0 50 CDAA CC(C)(C)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 6766198 QSKKXNRQJVOGNB-UHFFFAOYSA-N 296.392 1.537 0 50 CDAA COc1c(S(N)(=O)=O)ccc(Cl)c1Cl 54363373 PQGJONMSFYMVPE-UHFFFAOYSA-N 256.110 1.649 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1oc(C)cc1C 344664366 NJNFLACMIQGFGC-NWDGAFQWSA-N 267.325 1.772 0 50 CDAA CSc1cccc(CN2CCN(C)[C@H](CCO)C2)c1 104383867 OUOIVQCFBYONIT-CQSZACIVSA-N 280.437 1.907 0 50 CDAA CN1CCN(C(=O)c2ccccc2-c2nccn2C)CC1 20661146 GWRZYLLJBJEVJY-UHFFFAOYSA-N 284.363 1.475 0 50 CDAA C=CC(=O)NCCC(=O)N[C@@H]1CCO[C@H]1c1ccccc1 118955168 QUSYSCPJXZIILD-CJNGLKHVSA-N 288.347 1.325 0 50 CDAA Cn1cc(C(=O)N2C[C@H](C(=O)O)c3ccccc32)cn1 132003248 LSEOYZPGEBTHMF-NSHDSACASA-N 271.276 1.249 0 50 CDAA CC[C@@H](OC)C(=O)N1CCN(Cc2cccc(F)c2)CC1 63855667 BRLPXPGWINUSCZ-OAHLLOKOSA-N 294.370 1.895 0 50 CDAA COC(=O)CCCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 252692359 BGELRDJIBNTCEL-DZGCQCFKSA-N 280.412 1.888 0 50 CDAA COc1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)nn1 230179880 MZOGKJAGHLFZRB-NILFDRSVSA-N 281.315 1.553 0 50 CDAA O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCCC1 331112048 JMOMFBNDHYHEOE-UHFFFAOYSA-N 262.235 1.630 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N1CCO[C@H](CF)C1 331305973 AYVGCDUSZQBBNO-CMPLNLGQSA-N 268.288 1.046 0 50 CDAA COc1ccccc1[C@H]1CCCN1C(=O)C[C@@H](CN)CO 328598336 LNAPFLLMMAUWTH-GXTWGEPZSA-N 292.379 1.316 0 50 CDAA COc1ccc(/C=C/C(=O)N2CC[C@@H](CN)C2)cc1F 328596524 ZWOOPBKGYICNGW-PYEVWLCESA-N 278.327 1.655 0 50 CDAA O=C(O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)c(F)c1 262301618 AINLNWWYODFWCS-ZWNOBZJWSA-N 295.310 1.805 0 50 CDAA C[C@@H](CN(C)C)NC(=O)c1ccc(-n2ccnc2)cc1 253420358 RMBJNWLOVJPAEF-LBPRGKRZSA-N 272.352 1.552 0 50 CDAA C[C@H]1C[C@@H](C(=O)Nc2nc(-c3cnn(C)c3)cs2)CO1 331418792 RALQWKFSTWYQBY-DTWKUNHWSA-N 292.364 1.907 0 50 CDAA Cc1cc(N[C@H](C)c2nnn[nH]2)nc(N2CCCCC2)n1 32580930 IGBAJMCSQKVYFL-SNVBAGLBSA-N 288.359 1.462 0 50 CDAA Cn1ccnc1[C@H](O)CNc1nccc(C(F)(F)F)n1 32573272 OVIZXLWPGNQTKH-SSDOTTSWSA-N 287.245 1.374 0 50 CDAA Cc1nscc1-c1nc([C@H]2CCS(=O)(=O)C2)no1 329587826 SDCKYEYVQILOHG-ZETCQYMHSA-N 285.350 1.404 0 50 CDAA O=C(C1CCOCC1)N1CC[C@H](OCc2ccccn2)C1 329939477 TWLLQNNVMDPTMO-HNNXBMFYSA-N 290.363 1.626 0 50 CDAA Cc1cnc(C(=O)N2CCC(c3[nH]ncc3C)CC2)[nH]1 215647880 YAGXGBJUJVHHFA-UHFFFAOYSA-N 273.340 1.769 0 50 CDAA Cn1cc([C@@H](O)CNC2CCC3(CCCO3)CC2)cn1 364963176 MRFJLCDFIKNWHZ-SLTAFYQDSA-N 279.384 1.535 0 50 CDAA CC(C)n1cncc1CN1CCC[C@]2(C1)CN(C)C(=O)O2 72146127 XRQFMPSMKWPEIW-OAHLLOKOSA-N 292.383 1.881 0 50 CDAA O=C(NCCN1CCCC1)c1cccc(Cn2cccn2)c1 216258564 WQFIVRAQQAGDSH-UHFFFAOYSA-N 298.390 1.757 0 50 CDAA Cc1noc([C@@]2(O)CCN(c3ccncc3C)C2)n1 366487570 CQBWMMFWCWJQIH-CYBMUJFWSA-N 260.297 1.179 0 50 CDAA COc1ccc(NC(=O)NC[C@@H]2CNCCOC2)c(C)c1 72163440 UIRZQUCARGTLFI-LBPRGKRZSA-N 293.367 1.361 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H]([C@H](C)N)C2)nn1C 156300683 HIVJKXKHPRURQZ-NWDGAFQWSA-N 278.400 1.743 0 50 CDAA Cc1onc(N)c1S(=O)(=O)N1CCCC[C@@H]1C 72240888 LQDPTHXVRTZCKH-ZETCQYMHSA-N 259.331 1.128 0 50 CDAA COc1cnc(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)nc1 333241047 ZTFPPHGZXPXLLG-GHMZBOCLSA-N 278.312 1.174 0 50 CDAA COc1cc(F)c(C(=O)N2CCC[C@H]2CN)cc1OC 237297115 YVXNEELFBIKXBX-VIFPVBQESA-N 282.315 1.406 0 50 CDAA CC(=O)c1cccc(OCC(=O)N2CCC[C@H]2C(=O)O)c1 262133876 OIOWPUKBNPBTCZ-ZDUSSCGKSA-N 291.303 1.344 0 50 CDAA Cc1cccc(F)c1S(=O)(=O)N[C@H](C(=O)O)C(C)C 262418501 MSXUYXNEBIDKBS-JTQLQIEISA-N 289.328 1.522 0 50 CDAA CC(C)(C)OC(=O)N1CCCC[C@]12CCNC2=O 79035498 DFRNFZFTUWABTE-CYBMUJFWSA-N 254.330 1.666 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2CC(OC(F)F)C2)CCC1=O 336165663 NTMMLCYMQYDEPO-HTQZYQBOSA-N 261.268 1.442 0 50 CDAA COc1ncc(C)cc1NC(=O)N[C@H]1CCCC[C@@H]1O 174993212 FWARVSGQEIIJBI-JQWIXIFHSA-N 279.340 1.824 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(c2ncc(C)c(C)n2)C1 286183278 AKWKDLVSMYBFTA-GJZGRUSLSA-N 290.411 1.783 0 50 CDAA CC(C)[C@H](O)C1(CN[C@H](C)c2ccc(=O)[nH]n2)CC1 286124454 NTXVVQNTRNADLK-MFKMUULPSA-N 265.357 1.218 0 50 CDAA O=C(N=c1cc[nH]cc1)N1CCC[C@@H]1Cn1cccn1 608760774 IZPXIJQEIXCXSG-CYBMUJFWSA-N 271.324 1.397 0 50 CDAA CCCn1cc(C(=O)N[C@@H]2COCC2(C)C)cn1 456549095 RMOHYBYMDMOZRN-LLVKDONJSA-N 251.330 1.448 0 50 CDAA Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)o1 288672546 ZJKAWWZCHJKMLG-LBPRGKRZSA-N 266.341 1.165 0 50 CDAA O=C([C@@H]1CCCN1C(=O)c1cn[nH]c1)N1CCCCC1 426628723 FTPPLFWOXJJYRK-LBPRGKRZSA-N 276.340 1.027 0 50 CDAA CCOc1c(F)cccc1C(=O)N(C)[C@@H]1CCNC1 179053145 FYDIAZGQRYJPEK-SNVBAGLBSA-N 266.316 1.658 0 50 CDAA O=C(O)CCC(=O)NC[C@@H]1CCN(C2CCCCC2)C1 426401980 QWLNAOVBBFGQBJ-LBPRGKRZSA-N 282.384 1.622 0 50 CDAA CCCn1nccc1-c1ncc(F)c(N2CCOCC2)n1 426712754 NLJGGZRIVCQSID-UHFFFAOYSA-N 291.330 1.726 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)c2cc(=O)cc(C)[nH]2)n[nH]1 426649813 XVGRKKAIOBKIAO-QMMMGPOBSA-N 274.324 1.076 0 50 CDAA CCCC[C@H](CC)CC(=O)NC[C@@]1(O)CCOC1 178915468 WVHGRNCNOORNFI-JSGCOSHPSA-N 257.374 1.861 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCCC(=O)O 426717062 YOWXVJQRNXXICS-SSDOTTSWSA-N 253.302 1.459 0 50 CDAA CC[C@]1(C)C[C@H]1C(=O)N1CCC(OCCCN)CC1 162204980 GRAFLUADAISXAD-DZGCQCFKSA-N 268.401 1.779 0 50 CDAA CN(Cc1nc2ccccc2[nH]1)C[C@@H]1COCCO1 97634945 QHQOZGOYHCSDJU-LLVKDONJSA-N 261.325 1.410 0 50 CDAA COCC[C@@]1(CO)CCCN(C(=O)c2csc(C)n2)C1 91829085 YUCRKFIAPVOFGL-AWEZNQCLSA-N 298.408 1.703 0 50 CDAA CC[C@@H](CO)N(Cc1ccco1)C(=O)c1cn[nH]c1C 142654878 AZWBYPCJWWJRRH-NSHDSACASA-N 277.324 1.724 0 50 CDAA CCOCC(=O)N1C[C@@H](NC(C)=O)[C@H](c2ccc(C)o2)C1 91616351 QLFFPFTVFKBCMF-CHWSQXEVSA-N 294.351 1.055 0 50 CDAA O=C(c1ccc2nccn2c1)N1CCCC[C@H]1c1nc[nH]n1 181356567 TWTVWWHRJBWEHT-LBPRGKRZSA-N 296.334 1.820 0 50 CDAA CC(C)N1CCC(C(=O)N[C@H](C)c2cnn(C)c2)CC1 95361445 DGCRNYVOHIRNDT-GFCCVEGCSA-N 278.400 1.718 0 50 CDAA Cc1c[nH]c(C(=O)N(C)C[C@H]2CCN(CC(C)C)C2)n1 244873354 WOTIQBKAMDGEJF-CYBMUJFWSA-N 278.400 1.768 0 50 CDAA Cc1ccc2nc(CNC(=O)c3cncn3C)[nH]c2c1 348850435 UALIXVBMYOZBCN-UHFFFAOYSA-N 269.308 1.535 0 50 CDAA COCCN1C[C@H](Cc2cc(OC)ccn2)CC1=O 244724425 MTQZOPWKSLESKX-LLVKDONJSA-N 264.325 1.128 0 50 CDAA C[C@@H]1COCC[C@@H]1CNC(=O)NC[C@H]1CCCCN(C)C1 624048511 NMKPLCHOVHEICF-RBSFLKMASA-N 297.443 1.690 0 50 CDAA CC[C@@H](NC(=O)Cn1nc2ccccc2n1)[C@H]1C[C@@H](O)C1 253393939 PXIAOFNZHOUXLA-GRYCIOLGSA-N 288.351 1.097 0 50 CDAA CN(C)Cc1cccc(CNC(=O)C[C@H]2CCOC2)c1 352153230 FIZGXZJNHWMHSC-OAHLLOKOSA-N 276.380 1.791 0 50 CDAA CCN(C)C1(CN=c2nc(OC)cc(OC)[nH]2)CCCC1 534637790 ITELLPQSBSOVBD-UHFFFAOYSA-N 294.399 1.592 0 50 CDAA CC(C)C(=O)N1CCC[C@H](Nc2ncc(F)cn2)C1 534578937 QQVLGKTYLBMBHO-NSHDSACASA-N 266.320 1.675 0 50 CDAA CCCc1nc(CNC(=O)COC[C@@H]2CCCO2)cs1 299793421 HFHALEZOWDAXDJ-LBPRGKRZSA-N 298.408 1.907 0 50 CDAA Cn1cnc(C(=O)NC[C@H]2CCOc3ccccc3C2)c1 299800725 VWOFDNLIWOLROJ-LBPRGKRZSA-N 285.347 1.791 0 50 CDAA Cc1cc(C)c(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)o1 864378218 UJMGOWGOWMWBAF-SNVBAGLBSA-N 274.324 1.831 0 50 CDAA CCC1(CC)CN(C(=O)COC[C@@H]2CCCCO2)CCO1 584886599 QPTSHLBPEJJPJK-AWEZNQCLSA-N 299.411 1.990 0 50 CDAA CCOCCC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 584886342 UISBKMYBMIZHEF-LLVKDONJSA-N 270.373 1.176 0 50 CDAA CC(C)(O)[C@H]1CCN(C2CSCCSC2)C1 670438902 IFFIBRHQKTZMGC-JTQLQIEISA-N 261.456 1.928 0 50 CDAA O[C@H]1CN(CCOCc2ccccc2)C[C@@H]1N1CCCC1 670461356 VIMDRNNHTJWWCB-IRXDYDNUSA-N 290.407 1.344 0 50 CDAA Cc1ccoc1C(=O)NCCc1nc(C2CC2)no1 670455918 DCPCKUOWZKFWAK-UHFFFAOYSA-N 261.281 1.821 0 50 CDAA Cc1nc(CC(=O)NCCc2nc(C3CC3)no2)cs1 670460714 CBSXUXLDKMBKAY-UHFFFAOYSA-N 292.364 1.613 0 50 CDAA CN(Cc1ccc2nonc2c1)Cc1cnn(C)c1 846761251 CDAWLFFWJWWQQD-UHFFFAOYSA-N 257.297 1.588 0 50 CDAA CC(C)(C)CC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccncc1 952849794 RMZNYXANHHAOMD-VXGBXAGGSA-N 280.324 1.121 0 50 CDAA COC(=O)C1(N(C)C(=O)OCC2CC2)CC(OC)C1 1875275523 IEPOUIPUHXULQE-UHFFFAOYSA-N 271.313 1.185 0 50 CDAA C[C@@H](C(=O)c1c[nH]c2ncccc12)N(C)CCn1ccnc1 1875281760 VMHCSDHLSRUOQY-LBPRGKRZSA-N 297.362 1.963 0 50 CDAA CCN1Cc2ccccc2[C@H](NC(=O)/C=C/CN(C)C)C1 1875374521 UWVXFHDOJLEDBU-OJXHRBAXSA-N 287.407 1.797 0 50 CDAA C[C@@H]1C[C@@H](C)N(C(=O)c2cc3cn[nH]c3cn2)C[C@H]1CN 1875317838 KFFZUDOIHGXQPM-CKYFFXLPSA-N 287.367 1.403 0 50 CDAA CC1(C)C[C@@H]1C(=O)N1CCc2c(C(=O)O)n[nH]c2C1 1875338477 YWIJPDBZRUDOQR-MRVPVSSYSA-N 263.297 1.039 0 50 CDAA C=CC(=O)N(C)CC(=O)NC[C@]1(C(C)(C)C)CCCO1 1875370100 BOACONJXKVINNL-HNNXBMFYSA-N 282.384 1.342 0 50 CDAA OC[C@H]1CCCN(CCNc2ncccc2F)C1 952870176 UGEBOSZQWGOFCQ-NSHDSACASA-N 253.321 1.337 0 50 CDAA COCC1(CNC(=O)c2c(O)cccc2OC)CCC1 243956990 CFLGJLAYMHMEGR-UHFFFAOYSA-N 279.336 1.947 0 50 CDAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)CCC1=O 54960045 ROSZJQBQGFBFSW-CYBMUJFWSA-N 261.321 1.641 0 50 CDAA in-vitro C=CC(=O)N(CC)[C@H]1CCN(CC(F)(F)F)C1 1353215944 PKTOXIQHKSHTIH-VIFPVBQESA-N 250.264 1.658 0 50 CDAA CC1(C)NC(=O)CC[C@@H]1NC(=O)C1(c2ccccn2)CC1 630392050 JICDXMPIZCRWCV-NSHDSACASA-N 287.363 1.287 0 50 CDAA CC[C@H](C)C(=O)Nc1c(C)nn(CCC(=O)O)c1C 630333301 XCVJDDUSNWSYSQ-QMMMGPOBSA-N 267.329 1.959 0 50 CDAA CN(Cc1ccncc1)C(=O)c1c[nH]nc1[C@@H]1CCOC1 275294273 MLCJGTLXDMUPQK-GFCCVEGCSA-N 286.335 1.581 0 50 CDAA O=C(NC[C@H]1CCSC1)[C@@H]1Cc2ccccc2O1 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CDAA O=C(c1cc(-c2ccoc2)[nH]n1)N1CC([C@@H]2CCOC2)C1 684348325 KNRHICCLFKBMEZ-SNVBAGLBSA-N 287.319 1.778 0 50 CDAA C[C@@H](O)c1ncc(C(=O)NC2(C)CCOCC2)s1 774068539 KEXPKYFHRKIRBD-MRVPVSSYSA-N 270.354 1.495 0 50 CDAA COCCN1CCC[C@H](CN(C)Cc2cnc(C)cn2)C1 1506400248 BEMINPXVVWCXQO-OAHLLOKOSA-N 292.427 1.575 0 50 CDAA CCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1OC 119815 IISINQQVUKGCPT-FNORWQNLSA-N 291.347 1.966 0 50 CDAA CC(C)=CCCN1CCCN(CC(=O)N(C)C)CC1 1506412809 FJNIUQBKCXTGPM-UHFFFAOYSA-N 267.417 1.439 0 50 CDAA CCn1nc(C)c(C(=O)Nc2cnn3c2NCCC3)c1C 1529090058 FEDFSKWRXXXXLV-UHFFFAOYSA-N 288.355 1.784 0 50 CDAA Cc1nnnn1Cc1ccc(C(=O)Nc2nccn2C)cc1 1529166906 ABNJTGFXHBZBKQ-UHFFFAOYSA-N 297.322 1.016 0 50 CDAA C[C@@H](C(=O)Nc1ccnn1C1CCCC1)N1CCCC1=O 1529119344 UZCIYCBNJKBDKW-NSHDSACASA-N 290.367 1.948 0 50 CDAA Cc1nc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)n[nH]1 1529120192 WCDGQFGRBFUTTP-BKUVIOGVSA-N 250.346 1.094 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(F)CC3)n[nH]c21 1857529629 RYIPXZDDOBDJAD-SFYZADRCSA-N 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225408388 VMUWURLJKWYFEL-GUTXKFCHSA-N 276.380 1.973 0 50 CDAA CN(Cc1nccs1)C(=O)c1cn(C(C)(C)C)nn1 188679183 VCSGPHBKSWKWLH-UHFFFAOYSA-N 279.369 1.762 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc(OC)cc1 643763141 ULVZCNZRFOOWNZ-OAHLLOKOSA-N 278.352 1.162 0 50 CDAA Nc1cc(CN2CC[C@@H](CNc3ccccn3)C2)ccn1 191503834 FRFFJKRRBRAYIO-AWEZNQCLSA-N 283.379 1.993 0 50 CDAA Cn1cc([C@@]2(C)NC(=O)N(Cc3ccsc3)C2=O)cn1 566499098 VAANMERJTUTHLT-CYBMUJFWSA-N 290.348 1.449 0 50 CDAA CO[C@@H]1CN(Cc2cccc3nccn23)C[C@H]1c1cnn[nH]1 668576851 DPKJLHKGQCBMIV-GXTWGEPZSA-N 298.350 1.067 0 50 CDAA Cc1ccc(CCNC(=O)c2ncn(C(C)(C)C)n2)cn1 583423509 JOMOBRFVZQGDIV-UHFFFAOYSA-N 287.367 1.709 0 50 CDAA C[C@H](O)[C@@H](O)CN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 585117049 PWBWDRJZJOMYTR-RVBZMBCESA-N 297.786 1.951 0 50 CDAA C[C@H]1CC(=O)C[C@@H](C2CC2)N1C(=O)[C@H]1CCCO1 585125000 CQCBUBCTOLURNU-TVYUQYBPSA-N 251.326 1.524 0 50 CDAA O=C(NCc1nccs1)[C@@H]1CCC[C@H]2CCCN21 585121983 ITLGEJIXZWZLIZ-QWRGUYRKSA-N 265.382 1.776 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@@H]1C(F)(F)F 585125858 HOEACXRYPKHJEE-IQJOONFLSA-N 297.273 1.318 0 50 CDAA CSc1ccc2c(C)cc(N3C[C@@H](O)[C@H](O)C3)nc2c1 1704313024 KOCRHLZQYZKUCD-ZIAGYGMSSA-N 290.388 1.807 0 50 CDAA CO[C@H](C)CS(=O)(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C 249615323 SQFIHMUREXTWDH-WRWGMCAJSA-N 263.403 1.765 0 50 CDAA CO[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 252716451 YMYZIVXFWXIBPO-YTWAJWBKSA-N 255.314 1.266 0 50 CDAA COc1cc(CCNC(=O)[C@@H]2C[C@@H]3C[C@@H](N)[C@@H]3C2)ccn1 1615544360 AZJPYHIJVHPYDG-AAVRWANBSA-N 289.379 1.122 0 50 CDAA Cc1coc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)c1 1615546578 AEDPOEGDAFJYNE-CYBMUJFWSA-N 293.363 1.982 0 50 CDAA Cc1ocnc1C(=O)N1C[C@H](Cc2ccncc2)[C@@H](O)C1 1616078129 OFKNGYQDBDMSNK-STQMWFEESA-N 287.319 1.054 0 50 CDAA Cc1nnc(N2CCN(c3nnc(C)s3)CC2)s1 32498053 KZIAFJQBUZEEOP-UHFFFAOYSA-N 282.398 1.333 0 50 CDAA CC(C)C(=O)N[C@@H](C(N)=O)c1nnc(-c2ccccc2)o1 1775976724 PDWBNKWJIHORHF-JTQLQIEISA-N 288.307 1.035 0 50 CDAA CCc1nc(N)nc(N[C@@H](C)c2ncnn2C)c1C 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CC1(C)NC(c2cccnc2)=[N+]([O-])[C@@]1(O)c1ccccc1 300180 RKGJTVCSPDBIRY-MRXNPFEDSA-N 283.331 1.566 0 50 CDAA biogenic COCCCNC(=O)C(=O)Nc1ccc(Cl)cc1C 2026749 OYLSLTYEOTYVQN-UHFFFAOYSA-N 284.743 1.740 0 50 CDAA CC[C@]12COC(=O)N1CCN(c1nc(C)c(C)c(C)n1)C2 2356142982 PMIUXQNLEKBREJ-HNNXBMFYSA-N 290.367 1.823 0 50 CDAA CS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 2995810 SMUNEVDXYVHUFA-UHFFFAOYSA-N 280.301 1.620 0 50 CDAA O=C1NC[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]12 2356147397 ULNHOWXKLYOAIJ-QWHCGFSZSA-N 280.331 1.326 0 50 CDAA OC1CN(C2CCN(c3nc4ccccc4s3)CC2)C1 2356156026 SEBRIGNZAWKINC-UHFFFAOYSA-N 289.404 1.942 0 50 CDAA O=C(NC[C@H]1CCCO1)c1c[nH]c2ccc(F)cc2c1=O 6088051 NVNHRHGQKQBMDL-SNVBAGLBSA-N 290.294 1.576 0 50 CDAA CC(=O)N1CCC(C(=O)Nc2nccs2)CC1 6726708 UFGLEQODCDIFSN-UHFFFAOYSA-N 253.327 1.340 0 50 CDAA Cc1cc(OC(=O)c2cccs2)c2nncn2n1 1389937 SGRUFARWCSWTEF-UHFFFAOYSA-N 260.278 1.713 0 50 CDAA CCS(=O)(=O)Nc1cncc(Br)c1 114512088 XIYQLIFNKGUHSR-UHFFFAOYSA-N 265.132 1.606 0 50 CDAA O=C1Cc2ccc(I)cc2N1 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SGWCLPCTGQWCTD-UHFFFAOYSA-N 256.350 1.117 0 50 CDAA COc1ccc(F)c(-c2nccc(N3CC[C@@H](O)C3)n2)c1 65380751 NQIKPUKPUHRYAP-SNVBAGLBSA-N 289.310 1.862 0 50 CDAA CCn1ncnc1CN1CCc2[nH]nc(C3CCC3)c2C1 23479098 BKMWFRWSPGCDIC-UHFFFAOYSA-N 286.383 1.847 0 50 CDAA Cc1ccccc1C(=O)NCCCN1CCN(C)CC1 20819358 MULQCALEFVTZRZ-UHFFFAOYSA-N 275.396 1.362 0 50 CDAA CC(=O)NC[C@H]1CCN(Cc2cc(C(C)C)no2)C1 67955160 KQBBNSXOQBOCMY-GFCCVEGCSA-N 265.357 1.756 0 50 CDAA C[C@@H](C(=O)Nc1nccs1)N1CCC(CN)CC1 430608829 FIHRYKGTBUWJOP-VIFPVBQESA-N 268.386 1.141 0 50 CDAA Cc1ccc(CN(C(=O)Cn2cncn2)C2CC2)s1 67691725 JKFDETMLDIVHHK-UHFFFAOYSA-N 276.365 1.839 0 50 CDAA CCN(CC)c1ccc2cc(C(N)=O)c(=O)oc2c1 347561 IFINBKWRDJSEGA-UHFFFAOYSA-N 260.293 1.738 0 50 CDAA in-vitro CCCc1nnc(NC(=O)[C@@H]2CCCCN2)s1 253432814 OLXQGUZNBJVLST-QMMMGPOBSA-N 254.359 1.571 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N([C@@H](C)CCc2cccc(F)c2)C1 284474600 DXGNYLLFYDEUEK-CQDKDKBSSA-N 294.370 1.721 0 50 CDAA Cc1cnc(Cn2ccnc2-c2[nH]cnc2C)cn1 71751455 SSOHWJSONINEKU-UHFFFAOYSA-N 254.297 1.728 0 50 CDAA O=C(CCn1cccn1)N1CCC(Cc2ncc[nH]2)CC1 331681616 QQXKIYDCLDGQAL-UHFFFAOYSA-N 287.367 1.478 0 50 CDAA NC[C@H](c1ccc(F)cc1)N1CC[C@H](C(=O)O)C1 35622875 JQEOMOILFCBLJY-CMPLNLGQSA-N 252.289 1.232 0 50 CDAA COc1ccc(CN2CCO[C@@H](CCO)C2)cc1Cl 215612409 OQGMBJJVBROBNX-LBPRGKRZSA-N 285.771 1.932 0 50 CDAA O=C(NCc1ccn2ccnc2c1)[C@@H]1CCn2cncc2C1 363163911 DZJOULIXZNPYKR-CYBMUJFWSA-N 295.346 1.410 0 50 CDAA c1cn2cnnc2c(N2CC3(CCC3)[C@@H]2C2CCOCC2)n1 333473994 ODKZIIUUFVXZDM-ZDUSSCGKSA-N 299.378 1.910 0 50 CDAA CCCCNC(=O)[C@H]1C(=O)N(c2ccccc2)N=C1C 155372489 JDHDNOLZAYHZFU-ZDUSSCGKSA-N 273.336 1.942 0 50 CDAA Cn1cc([C@@]2(C)CN(C(=O)C3=CCCCO3)CCO2)cn1 366170857 HLXGPTBSABLQGW-OAHLLOKOSA-N 291.351 1.188 0 50 CDAA O=C(CC[C@@H]1CCNC1)Nc1ccc(Cn2cncn2)cc1 262099707 ITGITAKIKYVHDL-CYBMUJFWSA-N 299.378 1.655 0 50 CDAA Cc1nccc([C@@H]2CCCN(c3nccn(C)c3=O)C2)n1 608080834 SMZSYPDJMPJIHF-GFCCVEGCSA-N 285.351 1.263 0 50 CDAA C[C@@H]1COCCN(C(=O)Cc2c[nH]c3ncccc23)C1 336155007 USPKIKIHEGHXFB-NSHDSACASA-N 273.336 1.600 0 50 CDAA Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c(C)o1 262419604 MXCSYNABWXHLDK-JTQLQIEISA-N 287.337 1.382 0 50 CDAA Cc1cc2nc(C(C)C)cc(N[C@H]3CCCNC3=O)n2n1 72424555 LWMXMZQVXJLZHV-NSHDSACASA-N 287.367 1.852 0 50 CDAA CC(C)n1cc(C(=O)NC[C@@H](O)c2cccnc2)cn1 77437075 LBGAVTRIOFBFJO-CYBMUJFWSA-N 274.324 1.322 0 50 CDAA COc1cc(CN2CCC[C@H](c3nc(O)n[nH]3)C2)ccn1 377527708 KNOWMIGDJRPJAC-NSHDSACASA-N 289.339 1.294 0 50 CDAA CC(C)[C@]1(C)N=C(c2cccnc2C(=O)O)NC1=O 71779625 NNVQGSILNCLMNY-ZDUSSCGKSA-N 261.281 1.071 0 50 CDAA CN(CCCc1nccn1C)CC(C)(C)N1CCOCC1 216148310 ZYDVKDIEVDODOV-UHFFFAOYSA-N 294.443 1.395 0 50 CDAA COC(=O)c1cc(C)nc(N[C@@H](CO)C(C)(C)C)n1 241719829 QPXDCSPXJKATQD-JTQLQIEISA-N 267.329 1.391 0 50 CDAA CCNC(=O)C(C)(C)NC(=O)[C@@H](OC)c1ccccc1 457297137 LCINNARIURAVLI-LBPRGKRZSA-N 278.352 1.405 0 50 CDAA CCCCn1c(SCc2ccn[nH]2)n[nH]c1=O 287687567 ZCYICTTVDKWDLL-UHFFFAOYSA-N 253.331 1.387 0 50 CDAA O=C1CCC[C@H](C(=O)N[C@H](c2ccccn2)C2CCC2)N1 529831506 MYLOPJRAUISQSZ-HIFRSBDPSA-N 287.363 1.708 0 50 CDAA C[C@H]1[C@H]2C[C@@H]([C@@H](S(=O)(=O)NC(C)(C)C)C2=O)C1(C)C 229157368 VZDNKECTTRBKMX-MIZYBKAJSA-N 287.425 1.954 0 50 CDAA CC(=O)N[C@@H](C(=O)NCc1ccnc(C)c1)C(C)C 222649093 BURJTKIHEZXATB-CYBMUJFWSA-N 263.341 1.167 0 50 CDAA Cc1nc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c(C)s1 220551862 ZDNLIYFAHQGBJZ-UTLUCORTSA-N 252.339 1.667 0 50 CDAA CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@H]1CCCO1 222586936 OHMJEJJARRYHFV-AWEZNQCLSA-N 287.319 1.874 0 50 CDAA CCCc1ncc([C@@H]2CC(=O)N=C3NNC(C)=C32)cn1 198913621 WFBVASBYFJSPPA-JTQLQIEISA-N 271.324 1.223 0 50 CDAA CCC1=NO[C@@H](CNC(=O)c2ccnn2C(C)C)C1 426578598 LVBHFOTWUCUHPG-LLVKDONJSA-N 264.329 1.749 0 50 CDAA CC[C@@H](CO)N(C)Cc1ncn(-c2ccccc2)n1 295387666 BBPIYBNSSVEEJE-LBPRGKRZSA-N 260.341 1.470 0 50 CDAA CCCc1ncncc1C(=O)N1C[C@@H](C)[C@](O)(C2CC2)C1 91644407 GTMNQUVQSAGOQE-BZNIZROVSA-N 289.379 1.662 0 50 CDAA CC(C)Cn1c(CN)nnc1SCC[C@H]1CCOC1 426545503 XBWIDXRGBIIEFV-LLVKDONJSA-N 284.429 1.912 0 50 CDAA CCc1cc(NCCCOC2CCN(C)CC2)ncn1 95387108 RUGDUZWVLSYMES-UHFFFAOYSA-N 278.400 1.952 0 50 CDAA CNc1cc(C(=O)N2C[C@@H](C)[C@](O)(C3CCC3)C2)ccn1 92098445 RPKLGCOKHQWLAN-BZNIZROVSA-N 289.379 1.746 0 50 CDAA CNCc1nnc(SCc2scnc2C)n1C 426370417 JZGAEEUAHNANAQ-UHFFFAOYSA-N 269.399 1.592 0 50 CDAA COCC(C)(C)C(=O)N1CCN[C@@H](c2ccccc2)C1 97217588 HKFKOEVBUSSQAT-CQSZACIVSA-N 276.380 1.832 0 50 CDAA CCc1n[nH]cc1C(=O)NC1(COC)CCCC1 97766620 IIYKIHLGDRACNB-UHFFFAOYSA-N 251.330 1.661 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](N2CC[C@@H](C(=O)O)C2)C1 238104434 SZEOIRVQVOFBBA-GHMZBOCLSA-N 284.356 1.402 0 50 CDAA CSCc1noc(-c2c(C)cc(C)[nH]c2=O)n1 95387487 DUPYCKNLWWJSIZ-UHFFFAOYSA-N 251.311 1.905 0 50 CDAA CCC[C@]1(CO)CCCN(C(=O)CCN2CCCC2=O)C1 91694781 YDCFHVYHJUFQIO-INIZCTEOSA-N 296.411 1.400 0 50 CDAA CN(C)C/C=C/C(=O)NCCOc1ncccc1Cl 268524290 GRJQLPLDTRWRSD-GQCTYLIASA-N 283.759 1.348 0 50 CDAA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CN 237533700 ABIDJHZUWVNZBQ-BXKDBHETSA-N 268.744 1.587 0 50 CDAA COc1cccc(NC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@H]4C3)c1 239165317 NXUUHKMQIPGSQF-AEOCFKNESA-N 287.315 1.831 0 50 CDAA c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1 91426156 GXJPOCCNKMZQCR-UHFFFAOYSA-N 251.293 1.957 0 50 CDAA COCCN1C[C@@H](Cc2cc(C)nc(C(C)C)n2)CC1=O 244884371 YLHLBUNMYVJFDX-ZDUSSCGKSA-N 291.395 1.946 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccco1)[C@H]1C=C[C@H]2C12CC2 244724675 MYKWNNSRMQLNSO-NDBYEHHHSA-N 269.300 1.977 0 50 CDAA C[C@@H](CC(=O)N1CC[C@@H](C(=O)O)C1)c1ccncc1 299742807 KORVFASIINABCF-CMPLNLGQSA-N 262.309 1.508 0 50 CDAA CN(CCN1CCCC1)C(=O)c1ccc(Cl)cn1 346073284 FAZPKURBQWREBJ-UHFFFAOYSA-N 267.760 1.903 0 50 CDAA CCCCNC(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 244795004 QXVYWZOMGLLDEV-QEJZJMRPSA-N 291.395 1.863 0 50 CDAA COc1ccccc1OC1CN(Cc2nnc(C)o2)C1 244633170 FYBVJOVUDUMFCQ-UHFFFAOYSA-N 275.308 1.650 0 50 CDAA Cc1nc(CN2C[C@@H](CO)OC(C)(C)C2)sc1C 163816591 AIJZBNNBUYNDJA-NSHDSACASA-N 270.398 1.732 0 50 CDAA CC[C@](C)(NC(=O)[C@H]1C[C@H]1C(=O)O)c1nccs1 268934336 FMVIBMUMPDAWLD-SXMVTHIZSA-N 268.338 1.605 0 50 CDAA Cc1ncsc1CCN(C)CC(=O)NCc1ccco1 252501542 UHDTUCCZLKSCRW-UHFFFAOYSA-N 293.392 1.835 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)CC(=O)NC(C)(C)C 252486502 HMJPLGJHDYPVPY-UHFFFAOYSA-N 266.389 1.416 0 50 CDAA CNC(=O)c1cccc(NC(=O)Cc2ccncc2)c1C 354912040 RRDLASIILPQOBA-UHFFFAOYSA-N 283.331 1.931 0 50 CDAA COc1ccc(F)cc1C(=O)NC1(C(=O)O)CCC1 262038204 HLERQTHUYPPFAO-UHFFFAOYSA-N 267.256 1.571 0 50 CDAA COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C=CCN1)CC2 534655922 SSEBTVFZOPWRIM-ZDUSSCGKSA-N 288.347 1.117 0 50 CDAA Cc1cccc(CC2(NC(=O)CNC(=O)N(C)C)CC2)c1 534656724 MTRKUXCDDJDKOM-UHFFFAOYSA-N 289.379 1.458 0 50 CDAA CC[C@@H](NC(=O)c1[nH]cnc1C)c1ncnn1CC 534655046 DYJDHZSACORDFE-SECBINFHSA-N 262.317 1.211 0 50 CDAA Cc1nonc1CNC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 864263681 PQHTYBBXJMFBCK-PELKAZGASA-N 280.328 1.087 0 50 CDAA COc1ccc2c(c1)O[C@@H](C)CN(CCC(=O)O)C2 299774408 CWZBQMDNVYEWIW-JTQLQIEISA-N 265.309 1.753 0 50 CDAA CCn1nc(C)c([C@@H](C)NC(=O)c2nccnc2O)c1C 299759659 PXIWOVSGIVHPBN-MRVPVSSYSA-N 289.339 1.506 0 50 CDAA CCN1C[C@H](CN(C)c2nc(C)cnc2C)CC1=O 823102716 YAHXOQHVNLOLJS-LBPRGKRZSA-N 262.357 1.398 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)c2cccc(N)n2)c1 584888380 NCKOZCOEUXSIJA-UHFFFAOYSA-N 270.336 1.948 0 50 CDAA COc1ccccc1Cc1n[nH]c(CCn2cccn2)n1 824821852 IQPVKUMNNWSQKR-UHFFFAOYSA-N 283.335 1.843 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc(CCN)cc1)C2 584889661 RDDOOSNINNJBQR-ZSHCYNCHSA-N 288.391 1.685 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CC[C@H](CO)CC2)c(O)cn1 584896020 YICZIFDDWGRDNH-HAQNSBGRSA-N 278.352 1.624 0 50 CDAA CC(C)C[C@@H]1CCN(C(=O)CCC2=NNC(=O)CC2)C1 584891056 NUSJHWKXHILGLV-LBPRGKRZSA-N 279.384 1.927 0 50 CDAA CCCCS(=O)(=O)N1CCC[C@H](c2cc(O)ncn2)C1 670470029 CQAJIKVMBXMTGW-NSHDSACASA-N 299.396 1.492 0 50 CDAA CN1CCC(C2CCN(C(=O)C[C@@H]3CCOC3)CC2)CC1 670460412 GBDYCEYLMLZJOL-AWEZNQCLSA-N 294.439 1.993 0 50 CDAA Cc1cc(C)n(CCC(=O)N[C@@H]2CCc3c[nH]nc3C2)n1 670449201 WIIINEBBNZIPQT-CYBMUJFWSA-N 287.367 1.287 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cncs2)CC1 670451517 MUNDSDQSXUQOMH-MGCOHNPYSA-N 281.381 1.425 0 50 CDAA C=CC(=O)N(CC)CC(=O)NC(C)(C)C(C)(C)C 1875391471 HNVGYBPGFYESJX-UHFFFAOYSA-N 254.374 1.962 0 50 CDAA CC(C)(C)CC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccncc1 952849793 RMZNYXANHHAOMD-RYUDHWBXSA-N 280.324 1.121 0 50 CDAA COC1(c2noc(-c3cnc(C)nc3N)n2)CCCC1 952877172 MCWOLPWWPMLLFT-UHFFFAOYSA-N 275.312 1.833 0 50 CDAA O=C(OCCF)N1CCC(O)(Cc2ccccn2)CC1 952876978 JQXFEQGFBPTPLW-UHFFFAOYSA-N 282.315 1.557 0 50 CDAA CN1CCC[C@@H]1CCC(=O)N1CC[C@@H](O)CC(C)(C)C1 1875268803 INPCKJZZAFPBAC-ZIAGYGMSSA-N 282.428 1.870 0 50 CDAA COc1cc(CCNC(=O)c2nc(C)cs2)ccn1 1875268755 UKLALLJCTCQEBF-UHFFFAOYSA-N 277.349 1.828 0 50 CDAA CC[C@@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)C(=O)O 952987848 GWXWHZNMRMXJKO-SECBINFHSA-N 266.297 1.427 0 50 CDAA Cc1cnc(CNC2CSCCSC2)cn1 952963090 FPCPVEJKWZCLRK-UHFFFAOYSA-N 255.412 1.723 0 50 CDAA COCc1nc(O)cc(N2CCC[C@H]2c2ccnn2C)n1 895718800 OMRZLALGHRPIRR-NSHDSACASA-N 289.339 1.404 0 50 CDAA Cc1cc(=NC(=O)N2C[C@@H](N)C3(CCC3)C2)c(C)c[nH]1 1775962664 YYNHRYJARCYZRT-CYBMUJFWSA-N 274.368 1.465 0 50 CDAA CC(C)N(C)C(=O)C1(C(=O)N2CC(OC(F)F)C2)CC1 1776000432 BPNOLIPPVHWINY-UHFFFAOYSA-N 290.310 1.083 0 50 CDAA Cc1nc(N(C)Cc2cn[nH]c2)c2cnn(C)c2n1 1337266652 KZJVFXQYYSJSOD-UHFFFAOYSA-N 257.301 1.031 0 50 CDAA C[C@H](C(=O)O)n1cc(I)cn1 47218729 VPXFCAUGPKPCFF-SCSAIBSYSA-N 266.038 1.133 0 50 CDAA in-vitro O=C(O)[C@H](F)[C@@H]1CCN(C(=O)C2CCCCC2)C1 1517366600 ZTBVUVOCWBMTEH-GHMZBOCLSA-N 257.305 1.838 0 50 CDAA Cc1ccccc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 248001227 STNGDXRUDBYFGE-FVCCEPFGSA-N 275.304 1.812 0 50 CDAA COCCN(Cc1ccco1)C(=O)NCc1ncccn1 1365432371 PDQTURDQTNRLKX-UHFFFAOYSA-N 290.323 1.428 0 50 CDAA Cc1cc(C)c(OC[C@H](O)CN2CCOCC2)c(C)c1 19301003 DJFYZAKQQFDAHE-OAHLLOKOSA-N 279.380 1.684 0 50 CDAA CC[C@@H](NC(=O)c1cnc(C)s1)[C@@H](O)C(F)(F)F 270860422 LPMFYCKANYAMEA-HTRCEHHLSA-N 282.287 1.883 0 50 CDAA Oc1ccc(-c2csc(N3CCNCC3)n2)cc1 582230263 XDRFWEDJXWIHRP-UHFFFAOYSA-N 261.350 1.925 0 50 CDAA C[C@@H](NC(=O)Cc1ccc(O)cc1)C1=CCN(C)CC1 272742890 CYVQBLDXOULDIJ-GFCCVEGCSA-N 274.364 1.701 0 50 CDAA COc1nccc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)n1 278515405 BVPYYMAOCQUAHK-GHMZBOCLSA-N 292.339 1.564 0 50 CDAA CCC1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1 42684230 GSBQTPOLQGKZDV-UHFFFAOYSA-N 256.346 1.899 0 50 CDAA in-vitro CO[C@@H]1COC[C@@H]1NC(=O)NC[C@@H]1C[C@H]1c1ccccc1 519333715 NUVGXHWMVJKOTI-ZQDZILKHSA-N 290.363 1.503 0 50 CDAA Cc1scc(C(=O)N2CCC(O)(CN(C)C)CC2)c1C 585135342 COJPZKKSNQOTBY-UHFFFAOYSA-N 296.436 1.894 0 50 CDAA O=C1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)CN1 225223501 FZXCKVAZSRVVGH-XQQFMLRXSA-N 292.766 1.838 0 50 CDAA NC(=O)N1CCCN(C[C@H]2CCC3(CCCCC3)O2)CC1 190955999 ZWSIRROGTVTNRP-CQSZACIVSA-N 295.427 1.955 0 50 CDAA COc1ccc(CN2C[C@H](OC)C[C@H]2c2ncc[nH]2)cn1 643772604 JVCIVTDAUVGAJP-OLZOCXBDSA-N 288.351 1.775 0 50 CDAA Nc1cc(CN2CCO[C@H](c3nccs3)C2)ccn1 191490230 WTISXJNGIHOXLQ-NSHDSACASA-N 276.365 1.694 0 50 CDAA O=C(c1n[nH]c2c1CCCC2)N1CCc2nc[nH]c2C1 646257052 PRMIHSHYUQMBBC-UHFFFAOYSA-N 271.324 1.210 0 50 CDAA Cc1ccn(-c2ccccc2CNC(=O)NC[C@@H](C)O)n1 192530469 AATBQUUGWKGGFG-GFCCVEGCSA-N 288.351 1.361 0 50 CDAA O=C(NC1CCN(CC(F)(F)F)CC1)c1cn[nH]c1 195142091 COWYONLWSFVONV-UHFFFAOYSA-N 276.262 1.166 0 50 CDAA CCN(CCn1cccn1)C(=O)c1ccn(C(F)F)n1 1189450384 JBKAERMBQGVGRA-UHFFFAOYSA-N 283.282 1.637 0 50 CDAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1ccnn1C 1506406682 MWHHLUHXVRODDX-UHFFFAOYSA-N 287.298 1.708 0 50 CDAA CC(C)C(=O)N1CCC[C@H](Nc2nc(C(=O)O)co2)C1 1506401483 ILRNIZXXTGSFOB-VIFPVBQESA-N 281.312 1.432 0 50 CDAA CCC[C@H](NC(C)=O)C(=O)Nc1ccnn1CCC 1529196785 HHPBMSQGZJMGGD-NSHDSACASA-N 266.345 1.536 0 50 CDAA COC(=O)C(=O)CC(=O)c1ccc2c(c1)CCCC2 101924262 UOTGSXLBDOOBII-UHFFFAOYSA-N 260.289 1.880 0 50 CDAA in-vitro CC(C)(C)OC(=O)N1CCc2[nH]cnc2[C@H]1CO 307697671 GXHUHLDJHHELTD-SECBINFHSA-N 253.302 1.236 0 50 CDAA in-vitro C[C@@H]1CCCN(C(=O)CCOC2CCOCC2)[C@H]1CN 237491345 UGJUZCQOOHIFTC-OCCSQVGLSA-N 284.400 1.158 0 50 CDAA C[C@@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)C(F)(F)F 344424879 PWIRDAIGGNQYKX-ZCFIWIBFSA-N 274.246 1.848 0 50 CDAA COC(=O)[C@@H]1C(=O)[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 144502083 FRSSKCYREXGZOH-HLTSFMKQSA-N 269.297 1.126 0 50 CDAA Fc1ccccc1CCn1nnnc1N1CCCOCC1 1616032854 IPHCBFZCMFZYPL-UHFFFAOYSA-N 291.330 1.282 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)c1cccc(C(=O)N(C)C)c1 1614998616 QKXYRHNNKHZDMM-ZIAGYGMSSA-N 290.363 1.543 0 50 CDAA CC(=O)Oc1ccc(/C=C2/SC(=O)NC2=O)cc1 3159472 AYESDWSJUSTNGT-UXBLZVDNSA-N 263.274 1.936 0 50 CDAA COC(=O)c1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 20307189 VWYNLFPCRJZKHX-ZDUSSCGKSA-N 276.336 1.171 0 50 CDAA Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 16603729 GSGVGPRDWYZBDU-HNNXBMFYSA-N 274.364 1.823 0 50 CDAA CC(C)COc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1 17784460 NTIFWVVGQXFBBI-UHFFFAOYSA-N 289.335 1.683 0 50 CDAA Nc1cncc(N2CCN[C@@H](c3ccccc3)C2)n1 1857668181 YEWYITPKDFFDDJ-GFCCVEGCSA-N 255.325 1.210 0 50 CDAA CC(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N 124963 PVIHKPOAMYVAHH-UHFFFAOYSA-N 284.385 1.231 0 50 CDAA in-vitro C[C@H](CN1CCOCC1)NC(=O)C(C)(C)C1CCC1 408519341 DAJAUHQGBYXIJG-GFCCVEGCSA-N 268.401 1.650 0 50 CDAA CC(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCNC2)cc1 236772454 MQISTURNOQKZSR-LSDHHAIUSA-N 275.396 1.536 0 50 CDAA Cc1csc(S(=O)(=O)N2CC[C@H](n3cccn3)C2)c1 333691982 MOXIGKYNJZJJCM-NSHDSACASA-N 297.405 1.889 0 50 CDAA O=C(N[C@H]1CCOC2(CCCC2)C1)N1CCC[C@@H]1CO 156927268 BVYYTCBUWVDHKB-QWHCGFSZSA-N 282.384 1.645 0 50 CDAA CSC[C@H](C)C(=O)N1CCC[C@@H](n2ccnn2)CC1 585130879 FDZWNNRIQFANJU-NWDGAFQWSA-N 282.413 1.831 0 50 CDAA Cc1ccc(NC(=O)c2nnc3n2CCOCC3)cc1C 594639215 ISAMQBYRRDVXOC-UHFFFAOYSA-N 286.335 1.720 0 50 CDAA O=C(Nc1ccc2nccnc2c1)[C@@H]1C[C@H]2CC[C@H]1NC2 394630308 BPRLYPKMXOFFPN-RAIGVLPGSA-N 282.347 1.956 0 50 CDAA CCc1[nH]ccc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907968072 VMDTWZQEFKEXOB-IZWKTGJZSA-N 276.336 1.806 0 50 CDAA O=C(O)[C@H]1c2ccoc2CCN1C(=O)CC1(O)CCCC1 910206587 VHTQKCPHWUNFEY-CYBMUJFWSA-N 293.319 1.485 0 50 CDAA Cn1ccs/c1=N\C(=O)c1c[nH]c2ncccc12 1875252876 DKDVIIRXKNMUAJ-QINSGFPZSA-N 258.306 1.704 0 50 CDAA Cc1ccc(CN2CCCC[C@@H]2CS(N)(=O)=O)nc1 931230113 SUBDXGLJPJXCHF-CYBMUJFWSA-N 283.397 1.033 0 50 CDAA Cn1cc(C(=O)N[C@@H]2C[C@@H](O)c3ccccc32)ccc1=O 855714581 BREYGMLHACQUEK-ZIAGYGMSSA-N 284.315 1.294 0 50 CDAA COc1cccc(C(=O)NC2(C(=O)O)CC2)c1F 237358376 AOLADMHSAJFFBH-UHFFFAOYSA-N 253.229 1.181 0 50 CDAA C[C@H]1CCCC[C@H]1C(=O)NC1(CC(=O)O)CCOCC1 263047212 JYCZKPBMAAQPQY-NWDGAFQWSA-N 283.368 1.953 0 50 CDAA O=C(CN1CCc2ccccc2[C@H]1CO)NCC1CC1 268193423 XSRSKGDLGVAULT-OAHLLOKOSA-N 274.364 1.104 0 50 CDAA COc1cc(C(=O)N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)ccn1 2100545027 FPTFBDILZHSDRX-KPWCQOOUSA-N 290.363 1.712 0 50 CDAA O=C(NCc1cccnc1)c1c(O)[nH]c2ccccc2c1=O 18211103 ILGKTHYZRKKNKN-UHFFFAOYSA-N 295.298 1.559 0 50 CDAA CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 35119 ISHDEUNXFKJOOB-VXGBXAGGSA-N 290.363 1.963 0 50 CDAA CC(C)c1ccc(N2C(=O)CC(=O)NC2=S)cc1 448856 PPFIUHOFFIXOHR-UHFFFAOYSA-N 262.334 1.948 0 50 CDAA COc1ccc(NC(=O)c2ccnn2C)cc1OC 997574 ULZZFUYRSXGJBL-UHFFFAOYSA-N 261.281 1.690 0 50 CDAA COP(=O)(CN1C(=O)c2ccccc2C1=O)OC 2146779 WDBHXTMUHJGHAN-UHFFFAOYSA-N 269.193 1.726 0 50 CDAA Fc1ccccc1N1CCN(c2ncccn2)CC1 2490166 AWRBGTHIMMUNDS-UHFFFAOYSA-N 258.300 1.942 0 50 CDAA CC(C)c1ccccc1OCCNS(C)(=O)=O 3002042 SVWRVEAFWUFCEE-UHFFFAOYSA-N 257.355 1.738 0 50 CDAA O=C(O)CCCC(=O)Nc1ccc(O)c(C(=O)O)c1 3193106 XJGGZWRWBDSILI-UHFFFAOYSA-N 267.237 1.284 0 50 CDAA NCCCCCNC(=O)CCN1CCCCCCC1 55120434 QPFZQVHDUBRFTK-UHFFFAOYSA-N 269.433 1.888 0 50 CDAA Cc1cnc(N2CC[C@@]3(O)CCCC[C@H]3C2)nc1N(C)C 65526374 RHTOVMNASVACEE-BBRMVZONSA-N 290.411 1.982 0 50 CDAA NC(=O)CCN1CCc2onc(-c3cccc(F)c3)c2C1 67723294 CSICXCDUBMSAAN-UHFFFAOYSA-N 289.310 1.714 0 50 CDAA CSCCCN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076114011 CCRDQTYWWRTDQZ-NEPJUHHUSA-N 268.386 1.177 0 50 CDAA Cc1ccnc(N2CCN([C@@H](C)c3noc(C)n3)CC2)c1 351531903 FHXZKYHZGQMHSK-LBPRGKRZSA-N 287.367 1.965 0 50 CDAA C[C@H](c1n[nH]c(=O)n1CC1CCCCC1)n1cccn1 65456798 NWQMPGDPUTZZFA-LLVKDONJSA-N 275.356 1.958 0 50 CDAA Cc1cc2c(c(-c3ncccc3C(N)=O)c1)O[C@@H](CN)C2 67688500 XSOIRTZRTPLJKA-LLVKDONJSA-N 283.331 1.418 0 50 CDAA O=C(O)[C@H]1CC(=O)N(CCCCc2ccccc2)C1 65504990 REZMQQALTMSHBN-ZDUSSCGKSA-N 261.321 1.942 0 50 CDAA COCCn1cc(NC(=O)N[C@@H]2[C@H]3CCCC[C@H]32)cn1 252669650 IGKWUPQTFKRQMR-ITGUQSILSA-N 278.356 1.840 0 50 CDAA NC(=O)c1noc([C@H]2CCCN2C2CCCC2)n1 328641135 QJOJZSCHVWUVOU-SECBINFHSA-N 250.302 1.248 0 50 CDAA Cc1cc(C(=O)N2CCCc3n[nH]cc32)nc(C)n1 329017435 RCHJQDUYHHARNA-UHFFFAOYSA-N 257.297 1.410 0 50 CDAA CCN1C[C@H](C)[C@@H](NS(=O)(=O)c2ccccc2)C1 257366038 HFWSWMJAPFITPE-AAEUAGOBSA-N 268.382 1.305 0 50 CDAA Cc1nnc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)s1 72170418 MAKMBIZRWBKQFQ-GFCCVEGCSA-N 282.369 1.263 0 50 CDAA c1cc(-c2nccn2CCn2cccn2)c2nonc2c1 71760171 RRKXGRNBPRSZOY-UHFFFAOYSA-N 280.291 1.983 0 50 CDAA Cc1nc([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)no1 363641289 LVWFDVCTNIREHT-LBPRGKRZSA-N 289.339 1.624 0 50 CDAA Cn1cccc(C(=O)NCCSC(F)(F)F)c1=O 216289930 XLABECJYQZMFOL-UHFFFAOYSA-N 280.271 1.368 0 50 CDAA O=C(Cc1cc(F)cc(F)c1)NC[C@H]1COCCO1 216491642 SEXCSADEXWTTLA-LBPRGKRZSA-N 271.263 1.039 0 50 CDAA O=C(CSc1cnn[nH]1)NC(C1CC1)C1CC1 155890058 VLJPLWONLYMQRD-UHFFFAOYSA-N 252.343 1.202 0 50 CDAA N[C@H]1Cc2ccccc2N(C(=O)c2cnn3c2CCC3)C1 333344604 YXIAACRZZMNBCW-LBPRGKRZSA-N 282.347 1.360 0 50 CDAA CCn1ccnc1[C@@H](C)NC(=O)N1CCOC[C@H]1C1CC1 334096867 SNQBXKXRGCYTNP-YPMHNXCESA-N 292.383 1.784 0 50 CDAA O=C(N1CCC[C@@H](c2nc[nH]n2)C1)C1(O)CCCCC1 370345348 KXBLNTFHLVJGOH-LLVKDONJSA-N 278.356 1.206 0 50 CDAA O[C@@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 216261454 GCPVMWBFTODUCG-CQSZACIVSA-N 261.300 1.578 0 50 CDAA CCn1ccnc1C(=O)NC1Cc2ccccc2C1 334664226 ZCRANBMEBBDCOH-UHFFFAOYSA-N 255.321 1.800 0 50 CDAA N[C@H]1CCCN(C(=O)/C=C/c2c(F)cccc2F)C1 157964793 ALAQADWFNWHIKY-FGEFZZPRSA-N 266.291 1.928 0 50 CDAA CCCC[C@@H]1C=CCN1Cc1cc2n(n1)CCNC2 216006285 QMPDGKMOAFXFGG-CQSZACIVSA-N 260.385 1.917 0 50 CDAA OCCOc1cncc(N[C@@H]2COc3ccccc32)n1 378057355 QBKFZMZKCHGPFI-LLVKDONJSA-N 273.292 1.393 0 50 CDAA OC[C@@H](O)c1cc2n(n1)CCCN(C1CCCC1)C2 221360090 KFXXMBMZJOWOIB-CQSZACIVSA-N 265.357 1.057 0 50 CDAA COCCN1C[C@@H](Cc2ccc3c(cnn3C)c2)CC1=O 223074495 DPPFMYRGYMUBRO-ZDUSSCGKSA-N 287.363 1.611 0 50 CDAA COc1ccc(-c2ccc(N3CCN(C)CC3)nn2)cn1 426497457 WDIWLTNLLYCXDR-UHFFFAOYSA-N 285.351 1.299 0 50 CDAA COC[C@H]1CCN(C(=O)c2cc3c(cc2C)OCCO3)C1 223770992 PZSWZIDDXNZLTB-LBPRGKRZSA-N 291.347 1.875 0 50 CDAA C[C@H](Cn1cncn1)NC(=O)Cc1c(F)cccc1Cl 221257628 ULTODLXERYCQFF-SECBINFHSA-N 296.733 1.818 0 50 CDAA COc1cc(C(=O)O)cc(C(=O)NCc2nccs2)c1 426489458 ZTMRPELYNVXXGQ-UHFFFAOYSA-N 292.316 1.780 0 50 CDAA CCCCS(=O)(=O)N[C@@H]1CCCN(c2ncccn2)C1 48906206 MFTCTOFKIMLDLL-GFCCVEGCSA-N 298.412 1.165 0 50 CDAA Cc1nc2ccc(C(=O)N3CC=C[C@H]3C(=O)O)cc2nc1C 426734549 UAQJNSODJWNXED-AWEZNQCLSA-N 297.314 1.712 0 50 CDAA CN1CCC[C@H]1C(=O)N1CCCC2(CCOCC2)C1 335870235 KMEVVWQCJSGRPX-ZDUSSCGKSA-N 266.385 1.500 0 50 CDAA O=C(c1ccon1)N1CCC[C@@H](OCc2cccnc2)C1 91663884 BIZUYADQAMKLHC-CYBMUJFWSA-N 287.319 1.891 0 50 CDAA CN1C(=O)CN(Cc2cscn2)C(=O)c2ccccc21 95501748 PIHOKPWZNXDZHQ-UHFFFAOYSA-N 287.344 1.762 0 50 CDAA CCC[C@@H]1CN(c2cc(C(=O)O)ncn2)C[C@H]1C(=O)O 92062294 UGHQASCOXRVHEV-RKDXNWHRSA-N 279.296 1.112 0 50 CDAA O=C1Cc2cc(NC(=O)NC[C@@H]3CCCO3)ccc2N1 95510479 WKBUKFYLRBRRSI-NSHDSACASA-N 275.308 1.482 0 50 CDAA COC(=O)N1CCN(c2ncnc3c2[C@H](C)CC3=O)CC1 514269721 UVCSKPHHSWLLTB-SECBINFHSA-N 290.323 1.055 0 50 CDAA Cc1csc(C(=O)N[C@]2(CCO)CCOC2)c1 296429228 WAOGQAWWTHYANI-GFCCVEGCSA-N 255.339 1.328 0 50 CDAA CCOC(=O)[C@H]1[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 259911993 AFZOQLDLDMCJHT-BBBLOLIVSA-N 255.314 1.805 0 50 CDAA COC(=O)C1=C(C(=O)OC)[C@H]2C3C4[C@@H]5CC[C@@H]4[C@@H]2[C@H]5[C@H]13 254747117 UGIZCEYVUXAINF-METNIBSFSA-N 274.316 1.407 0 50 CDAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)NCCn2ccnn2)C1 534655508 BCSVEIPCCXYXMH-IUODEOHRSA-N 291.399 1.888 0 50 CDAA C[C@H]1C(=O)Nc2c(sc3ncccc23)C(=O)N1C 534649267 IAGPXKIQTCQTOF-LURJTMIESA-N 261.306 1.709 0 50 CDAA C[C@@H]1CCCN(CCC(=O)NCC2(CO)CCCC2)C1 534637116 YFLXRKIWMXOJDQ-CQSZACIVSA-N 282.428 1.777 0 50 CDAA CCc1c(C)nn(CCNC(=O)CSC)c1C 299802969 ZIRZBOAGJRONEL-UHFFFAOYSA-N 255.387 1.542 0 50 CDAA Cc1c[nH]cc1C(=O)NC[C@H](C(=O)O)C1CCOCC1 864145903 RLTFYEQFBBVECO-LBPRGKRZSA-N 280.324 1.180 0 50 CDAA C[C@H]1C[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)NC1=O 725255737 KRMCJNVMISNYFB-IINYFYTJSA-N 268.357 1.912 0 50 CDAA CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N 145342627 HWBQJXRREBQWDK-ZJUUUORDSA-N 272.345 1.134 0 50 CDAA Cc1cccc2nc(C(=O)N[C@H](C)c3nncn3C)cn12 828197445 PCTRECZEOJPCBI-SNVBAGLBSA-N 284.323 1.262 0 50 CDAA Cc1nn(C)c(C)c1CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](O)C2 828870110 YFBVBDVCYXFRFC-WDNDVIMCSA-N 291.395 1.484 0 50 CDAA Cc1nc(C2CCCC2)n(C[C@@H]2COCCO2)n1 584901589 UDIVMPYDMPZRPV-GFCCVEGCSA-N 251.330 1.660 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2cnn3ccn(C)c23)C1 584900134 XTLZKXYLLTZPAX-GFCCVEGCSA-N 290.367 1.562 0 50 CDAA Cc1cc(O)nc(CCNC(=O)CN(C)C2CCCC2)n1 584902381 LKQLEKDLSGKUIT-UHFFFAOYSA-N 292.383 1.024 0 50 CDAA CCCc1n[nH]c(=NC(=O)c2nocc2C)s1 630801248 VKIIIGIVJJMBND-UHFFFAOYSA-N 252.299 1.461 0 50 CDAA O=c1ccc(-c2ccccc2)nn1CCN[C@@H]1CCOC1 584890974 YYBGYVPRBVTNTF-CQSZACIVSA-N 285.347 1.289 0 50 CDAA Cc1nc(O)c2c(n1)CN(C1CSCCSC1)C2 670469113 NDCLTDBROQRPAO-UHFFFAOYSA-N 283.422 1.655 0 50 CDAA CC1CN(C(=O)CN2CCc3sccc3C2)C1 1875252603 KKSUXPROZABKBD-UHFFFAOYSA-N 250.367 1.585 0 50 CDAA CCCNC(=O)CN1CCC(c2ccnnc2)CC1 1875276448 JQZNYVPGQPPRPR-UHFFFAOYSA-N 262.357 1.182 0 50 CDAA O=C1CC2(CCC2)[C@H](c2nc(-c3cncnc3)no2)CN1 1875286594 WRMIKKQIWYYDSZ-JTQLQIEISA-N 285.307 1.300 0 50 CDAA CN(C)C/C=C/C(=O)N(Cc1cn2ccccc2n1)C1CC1 1875376865 LLHKRCHALIJYBV-FNORWQNLSA-N 298.390 1.943 0 50 CDAA Cc1cc(Cl)ccc1CN(C=O)C[C@@](C)(O)CN(C)C 1875325310 LRYHMAZBPNUUMN-HNNXBMFYSA-N 298.814 1.919 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCCC3(CC3)C2)CC1 1875365372 LPFBUWYBBHKNCG-UHFFFAOYSA-N 276.380 1.814 0 50 CDAA Nc1ncc(/C=C/C(=O)N2CCc3sccc3C2)cn1 952974324 CUMVPBNAXGVBAF-OWOJBTEDSA-N 286.360 1.718 0 50 CDAA CC(C)C[C@@H]1CN(C)CCN1C(=O)CCc1cn[nH]c1 886600094 MOTPVZHAYQJGBR-CQSZACIVSA-N 278.400 1.531 0 50 CDAA O=C([C@@H]1CCCO[C@H]1c1cc[nH]n1)N1CCC=C(F)C1 886036581 YHNRCFQKMBIBFV-DGCLKSJQSA-N 279.315 1.963 0 50 CDAA CC(C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1)=C1CCC1 888093605 KCLVKNALUSOLCC-UONOGXRCSA-N 291.351 1.183 0 50 CDAA CCc1ncnc(N2CC3(CCOCC3)C2)c1F 893939398 ZDTMFGBRRLBPAR-UHFFFAOYSA-N 251.305 1.795 0 50 CDAA COC(=O)[C@@H]1Cc2cc(Br)cnc2NC1=O 38258369 LEMXGMUEKGWKPR-SSDOTTSWSA-N 285.097 1.128 0 50 CDAA in-vitro CCc1nnsc1C(=O)N[C@@H](CC)[C@H](O)C(F)(F)F 270834494 GPWNDXPMYAKRNM-XPUUQOCRSA-N 297.302 1.532 0 50 CDAA Cc1nn(CC(=O)N[C@@H]2C[C@H](N)C23CCC3)c2ncccc12 1579895533 OSJILEGVNHCKIK-QWHCGFSZSA-N 299.378 1.126 0 50 CDAA CSC[C@H](C)C(=O)N1CCN(C)[C@@H](c2nccn2C)C1 276731014 QWYJOMKGYGXWDU-NWDGAFQWSA-N 296.440 1.234 0 50 CDAA CN(C(=O)c1cnn2c1CCCC2)[C@H](CO)C(C)(C)C 170077749 CLXXYALTDKARGV-CYBMUJFWSA-N 279.384 1.698 0 50 CDAA C[C@H]1OCC[C@@H]1Nc1cccnc1N1CCC(O)CC1 170067652 GPRYSGYPQHZGLJ-YPMHNXCESA-N 277.368 1.632 0 50 CDAA COc1ccccc1CCC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074615520 ILKHXSBEBUAYSM-GZBFAFLISA-N 275.348 1.921 0 50 CDAA CCNC(=O)[C@H](C)NC(=O)c1c[nH]nc1-c1ccccc1 170624597 WJASCFDMUPUOKZ-JTQLQIEISA-N 286.335 1.331 0 50 CDAA NC(=O)NCc1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 172396909 HZEUPTHGHIHWKM-CYBMUJFWSA-N 273.336 1.693 0 50 CDAA COc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@H]1C(=O)O 188277832 HEVJIHLOFXFTIX-HTQZYQBOSA-N 283.711 1.686 0 50 CDAA COC(=O)c1nn(-c2ccccc2)cc1OC[C@H]1CO1 669371549 FZZDDTVBFJQTAT-LLVKDONJSA-N 274.276 1.437 0 50 CDAA CCc1nnc(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)o1 408046790 YBKOODHFPJCPPB-JHJVBQTASA-N 295.383 1.384 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)cc1 408519108 LUUBELYAWLAXTP-IUODEOHRSA-N 299.378 1.609 0 50 CDAA CCc1ccc([C@@H]2CN(Cc3ncnn3C)CCO2)cc1 190337169 PIPCAIYWBXBCPT-HNNXBMFYSA-N 286.379 1.951 0 50 CDAA Cc1nccc(C(=O)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)n1 598765251 SAMLAWDBAOGUQX-RMDKCXRXSA-N 281.381 1.205 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)Nc1ccn(CCN(C)C)n1 190762710 AHYYLBSINGZDQM-NEPJUHHUSA-N 280.372 1.198 0 50 CDAA COC(CN1CCC(Cc2nc(C(C)C)n[nH]2)CC1)OC 585116497 YPRARDHNRWZZDS-UHFFFAOYSA-N 296.415 1.802 0 50 CDAA C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC(=O)N1 651127525 FSFNRRGTMZWTGC-QMMMGPOBSA-N 291.738 1.782 0 50 CDAA CC[C@@H](COC)NS(=O)(=O)c1ccccc1C(=O)O 564725975 GUMSSPPBIQPDER-VIFPVBQESA-N 287.337 1.088 0 50 CDAA C[C@H](C(=O)O)C(=O)Nc1nc(-c2cnn(C)c2)cs1 564966178 CDWNULNQDCKNNK-LURJTMIESA-N 280.309 1.203 0 50 CDAA O=C(O)[C@@H]1CC[C@@H](C(=O)N2CCC=C(c3ccco3)C2)O1 659165945 CIFDBTDDZKFFON-STQMWFEESA-N 291.303 1.528 0 50 CDAA CCOc1cc(C(=O)N2CCc3ccc(OC)nc32)on1 575603514 PJSFNBBGGMSFIR-UHFFFAOYSA-N 289.291 1.680 0 50 CDAA C[C@@H]1CN(Cc2cc3ccccc3n(C)c2=O)CCO1 576409273 NUONMMCDYAKXOU-GFCCVEGCSA-N 272.348 1.759 0 50 CDAA Cc1cccnc1N1CCN(CCn2cnnc2C)CC1 1506415941 RPSPFTCLYFFNKM-UHFFFAOYSA-N 286.383 1.112 0 50 CDAA Cc1ncc(CNS(=O)(=O)N2CCCC[C@@H]2C)s1 408073547 WYXWNZJWOAMNJW-VIFPVBQESA-N 289.426 1.660 0 50 CDAA CC(C)c1csc(-c2nccn2[C@@H]2CNC[C@@H]2O)n1 1857701929 ZFHGEZXQZAWTPB-MNOVXSKESA-N 278.381 1.635 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 22015086 JZDIVDBVWXFEMR-LBPRGKRZSA-N 263.293 1.818 0 50 CDAA in-vitro C=CC(=O)N[C@@H](C(=O)O)c1csc(Br)c1 1615054844 BGJARZBIYSJHSW-MRVPVSSYSA-N 290.138 1.939 0 50 CDAA CC(=O)O[C@@](C)(CC[C@@](C)(OC(C)=O)C(C)=O)C(C)=O 13138955 BBUIONJEQWHHHI-OKILXGFUSA-N 286.324 1.588 0 50 CDAA O=Cc1ccccc1OC(=O)/C=C1\SC(=O)NC1=O 15856276 RAZOOIOBAROSFI-UITAMQMPSA-N 277.257 1.271 0 50 CDAA O=C(O)CCCCCN1C(=O)[C@H]2CCCC[C@H]2C1=O 17975678 JZTZQQMZVQIKIU-PHIMTYICSA-N 267.325 1.807 0 50 CDAA O=C(N[C@@H]1C=CCC1)c1cccc(-n2cnnc2)c1 1857689392 OSZWXDBHRREGIK-GFCCVEGCSA-N 254.293 1.716 0 50 CDAA CSc1ncc(-c2nccn2[C@H]2CC(=O)N(C)C2)cn1 1857673971 VARQVXOLTXYQGW-JTQLQIEISA-N 289.364 1.465 0 50 CDAA O=C(Cc1ccccn1)NCc1nc2ncccc2o1 1857668221 OHJOVAOQWJQDLB-UHFFFAOYSA-N 268.276 1.477 0 50 CDAA N[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CC(c2ccncc2)C1 1857682258 HOWYUOXZWZXISZ-OSRDXIQISA-N 269.348 1.157 0 50 CDAA COc1ccc(C(C)(C)C(=O)N2CC[C@@H](N)C2)cc1OC 237158636 JZNFMHHHYMXBHI-GFCCVEGCSA-N 292.379 1.541 0 50 CDAA CN(C[C@H]1CCC[C@H]1O)c1cc(NCC2CC2)ncn1 301826355 MYFHKUDCAKPLNG-CHWSQXEVSA-N 276.384 1.896 0 50 CDAA COc1cccc(NC(=O)C(=O)NCCc2ccccc2)c1 2901601 HIWMOVUYUMMDDO-UHFFFAOYSA-N 298.342 1.993 0 50 CDAA CCn1nnc(C)c1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643772577 INXDWAPSBKPPAP-NEPJUHHUSA-N 290.371 1.292 0 50 CDAA O=C([C@@H]1CC=CCC1)N1CCN([C@H]2CCC[C@H]2O)CC1 252506456 SZMNVPYDQGFHHK-QLFBSQMISA-N 278.396 1.400 0 50 CDAA COC[C@H]1CCCN(C(=O)CCCCCC(=O)O)C1 1875279340 SRMIACKHABVLFQ-LBPRGKRZSA-N 271.357 1.907 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCCC[C@@H]1c1ncc[nH]1 900446422 MYYPCEWKVLFATD-GFCCVEGCSA-N 290.367 1.498 0 50 CDAA CC(C)Cn1ccc(C(=O)N2Cc3cncnc3C2)n1 908612835 UIVUCVKUQVXHID-UHFFFAOYSA-N 271.324 1.485 0 50 CDAA O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1coc(CO)c1 910005426 FZRCFEJFUUMCTK-MDSNHJATSA-N 279.292 1.001 0 50 CDAA C=CC(=O)Nc1ccc(OC2CCN(C)CC2)nc1 820437467 KTXYZQULDMWHHO-UHFFFAOYSA-N 261.325 1.679 0 50 CDAA C[C@H]1OCC[C@H]1NC(=O)NCc1nccc2c1CCCC2 921704433 ALPCGYNSTYOVIE-BXUZGUMPSA-N 289.379 1.937 0 50 CDAA C=CC(=O)N1CCN(c2cccc(OCC)n2)CC1 848979085 MFBZNSNDIYGVMJ-UHFFFAOYSA-N 261.325 1.315 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@H]1CCOc2ccc(F)cc21 859307895 BJJIUOYTNXBTGQ-LBPRGKRZSA-N 292.310 1.410 0 50 CDAA Cc1cc(F)cc(CN2CC[C@H](CO)[C@H](O)C2)c1 1143580694 SKNYDQHAKUYVNB-TZMCWYRMSA-N 253.317 1.309 0 50 CDAA Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2)cc1F 227581401 RCCZIZIFKNWGKO-UFGOTCBOSA-N 266.316 1.034 0 50 CDAA CC(=O)c1ccc(NC(=O)CCn2cncn2)cc1 8714426 PPRKVKJSSKEJIU-UHFFFAOYSA-N 258.281 1.510 0 50 CDAA CO[C@@H]1C[C@@H](NC(=O)Cc2cccc(N)c2)C1(C)C 234808715 NOAGHWKHQVUBSD-CHWSQXEVSA-N 262.353 1.741 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CCOC[C@@H]1CC(=O)O 126926796 YRHIKPSMDISUKZ-NSHDSACASA-N 281.283 1.450 0 50 CDAA O=C(NCCCCO)[C@@H]1CSC(c2ccccc2)=N1 236493819 ZAOUDICAGYLGGR-LBPRGKRZSA-N 278.377 1.437 0 50 CDAA N[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 237982718 WTKZIQOXZWZHKD-LLVKDONJSA-N 272.270 1.808 0 50 CDAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(N)[nH]1 239306295 GRJIZMLXCJXZEV-HRDYMLBCSA-N 283.401 1.420 0 50 CDAA Cc1nc(C)c(C(=O)NCc2ccc(C(=O)O)cc2)o1 156910006 YHSJEAQQKCLVIR-UHFFFAOYSA-N 274.276 1.920 0 50 CDAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)Cc1ccc(O)cc1 263523705 SHDMAEMGYROCMU-JQWIXIFHSA-N 277.320 1.646 0 50 CDAA CSCCN1CCN(C(=O)c2sccc2N)CC1 299771203 WOGKDWYABUFGJT-UHFFFAOYSA-N 285.438 1.451 0 50 CDAA COCCOC1CCN(Cc2nc(C)cc(C)n2)CC1 670440541 COIPNIBNYKEVLK-UHFFFAOYSA-N 279.384 1.721 0 50 CDAA Cn1ncc(N[C@@H]2CCn3ccnc3C2)c(Cl)c1=O 489927905 XGBDRYXDDYBSEB-MRVPVSSYSA-N 279.731 1.057 0 50 CDAA COc1cc(CN(C)c2cc(F)ncn2)sn1 722382908 NWHDQYPLEJJFOJ-UHFFFAOYSA-N 254.290 1.717 0 50 CDAA Cc1ccc(O)cc1C(=O)N1CCOC[C@@H]1CC(=O)O 380528257 KDEGPYGVLNRJDH-JTQLQIEISA-N 279.292 1.016 0 50 CDAA Cn1cnnc1CCCN=c1nc(C(C)(C)C)[nH]s1 388711042 IFUXRKHDLMPRBC-UHFFFAOYSA-N 280.401 1.431 0 50 CDAA CCc1cnc(CNS(=O)(=O)N(C)[C@@H](C)C2CC2)[nH]1 1464532962 YOIATHRWNBVSNO-VIFPVBQESA-N 286.401 1.037 0 50 CDAA C[C@H](O)Cc1nsc(NC(=O)c2cccs2)n1 470910 WEEUBGBYXVFCKY-LURJTMIESA-N 269.351 1.775 0 50 CDAA aggregator Cc1cnn(C2CCN(C(=O)O[C@H]3CCOC3)CC2)c1 2325763127 UBTVRPZULPMDTI-ZDUSSCGKSA-N 279.340 1.754 0 50 CDAA CC(C)(C)[C@H](NC(=O)C(=O)C1CCCCC1)C(N)=O 2325811207 BFPQTDOPCDWEDT-LLVKDONJSA-N 268.357 1.152 0 50 CDAA Cc1cc(C(=O)N[C@H]2CC[C@@H](c3nc(=O)o[nH]3)C2)cs1 2325821901 LATLKQIMYNCZAS-SCZZXKLOSA-N 293.348 1.799 0 50 CDAA CN(C)[C@H]1C[C@H](NC(=O)c2cccn3nccc23)C12CCC2 898822226 DAJOBWSOTKFNQS-GJZGRUSLSA-N 298.390 1.937 0 50 CDAA O[C@H]([C@H]1CCCN1CCOC[C@H]1CCCO1)C(F)(F)F 245281201 AEMRESOZUGYQLY-IJLUTSLNSA-N 297.317 1.570 0 50 CDAA CC(C)c1ccc(NC(=O)C[C@H]2NCCNC2=O)cc1 130481 RZLSTESCQVOCFX-CYBMUJFWSA-N 275.352 1.227 0 50 CDAA Cn1ccnc1SCC(=O)Nc1cccc(O)c1 269716 PMIDAJNWTNPHSZ-UHFFFAOYSA-N 263.322 1.857 0 50 CDAA CCCC(=O)Nc1ccc(OCC(=O)OC)cc1 619234 JTLUBEVEZCZXNU-UHFFFAOYSA-N 251.282 1.977 0 50 CDAA O=C(CCc1ccc(F)cc1)N1C[C@H]2COC[C@@]2(CO)C1 2356151559 NLPLXCCLTDRERN-BBRMVZONSA-N 293.338 1.226 0 50 CDAA NC(=O)C1CCN([C@@H]2CCc3ccccc3C2)CC1 3683478 TZZDIBHBQBPEDS-OAHLLOKOSA-N 258.365 1.741 0 50 CDAA COc1cc(OC)cc(-c2[nH]nc(O)c2CCN)c1 4235055 LRQQWZQMZSKAQX-UHFFFAOYSA-N 263.297 1.301 0 50 CDAA O=C(NCc1ccncc1)[C@H]1CC(=O)N(c2ccccc2)C1 4731682 KRWDSSCEIUSOCB-AWEZNQCLSA-N 295.342 1.751 0 50 CDAA Cc1ccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4892278 GWSNXLDLNOSAOK-KTRBRXNASA-N 279.361 1.312 0 50 CDAA COc1ccc(C)cc1NC(=O)CNC(=O)c1ccco1 8082634 JFDKMYJMPIFCQK-UHFFFAOYSA-N 288.303 1.965 0 50 CDAA CC1(C)C(=O)NCCN1C(=O)c1cc2cc(F)ccc2o1 117787815 MPHDTNBMLCAXFE-UHFFFAOYSA-N 290.294 1.923 0 50 CDAA CCOc1c(CNCCO)cc(Cl)cc1OC 10436631 ILRDZDQKIHXKSQ-UHFFFAOYSA-N 259.733 1.829 0 50 CDAA Cc1cc(C(=O)NCCNc2cccnc2)nc(C)n1 20867201 DBNXCMNPFFALNG-UHFFFAOYSA-N 271.324 1.330 0 50 CDAA CCCc1nnc(S)n1CC(=O)N1CC[C@@H](CC)C1 120686654 YBVKBGXGCSNZHG-SNVBAGLBSA-N 282.413 1.778 0 50 CDAA C[C@H]1CCC[C@@H](C)[C@@H]1N(C)C(=O)c1cnn(C)c1N 253370293 OVAPOKQXRDWZHR-IAZYJMLFSA-N 264.373 1.899 0 50 CDAA CC(=O)N1CCN([C@@H]2CN(CC3CCC3)C[C@H]2C)CC1 257365969 DLZPENQESHEACN-CZUORRHYSA-N 279.428 1.271 0 50 CDAA O=C1NCCN1[C@H]1CCCN(Cc2ncc(C3CC3)o2)C1 366893893 CGAHYDKGLHHACL-LBPRGKRZSA-N 290.367 1.542 0 50 CDAA CN(Cc1nc(C2CC2)n[nH]1)C[C@H]1CCc2nccn2C1 328621127 AGPIPJRGPBSDGV-LLVKDONJSA-N 286.383 1.573 0 50 CDAA Cc1ccnc(N2CC[C@H](N(C)Cc3ncccn3)C2)n1 328656604 ZMBMLUHUZNRCPA-ZDUSSCGKSA-N 284.367 1.286 0 50 CDAA C[C@]12CCN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C[C@@H]1C2(F)F 329174014 LSCSMQSUBDTPSF-WLTAIBSBSA-N 296.321 1.413 0 50 CDAA NC(=O)c1csc(N2CCO[C@@H](C(F)(F)F)C2)n1 71750119 GBMPYHIAOSNNIL-ZCFIWIBFSA-N 281.259 1.010 0 50 CDAA Cc1ccnc(N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)n1 284583266 OFACVLOWUYGOSL-GUTXKFCHSA-N 277.368 1.541 0 50 CDAA Cc1ncccc1O[C@@H]1CCN(c2cnccn2)C1 369498500 BSUNIPKTYGNASM-GFCCVEGCSA-N 256.309 1.838 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2CN2CCCCC2)C1 262245053 CHBVKLNZILPMTA-OAGGEKHMSA-N 293.455 1.981 0 50 CDAA Cn1cncc1CN1CCCC[C@H]1CN1CCCC1 215922444 CWWJRBCEGICUHS-AWEZNQCLSA-N 262.401 1.870 0 50 CDAA C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1C(=O)O 262694409 WZHSKEGLSOWERI-PWSUYJOCSA-N 278.308 1.315 0 50 CDAA CCCC(=O)NC1CC(N(CC(=O)O)CC2CC2)C1 262747278 XJQWSSJGDKBMDI-UHFFFAOYSA-N 268.357 1.230 0 50 CDAA Cc1nc(CCCNC[C@@]2(O)CCCNC2)sc1C 72436467 MKZIBZJERMKLQW-AWEZNQCLSA-N 283.441 1.397 0 50 CDAA COc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)O)c(O)c1 132720561 ZMWZFHNJJLLICN-HTQZYQBOSA-N 267.281 1.240 0 50 CDAA CCCCNC(=O)Cc1noc([C@@H]2OCC[C@H]2C)n1 128705749 FRWASVNAIAOEQC-BXKDBHETSA-N 267.329 1.626 0 50 CDAA C[C@H]1OCC[C@H]1N(CCO)Cc1cnn(C(C)(C)C)c1 449675542 AKTLJBAADQPGJA-TZMCWYRMSA-N 281.400 1.610 0 50 CDAA COC[C@@H]1CN(C(=O)c2cncc(O)c2)CC(C)(C)O1 285456128 JXOKWORQMZDSMC-LBPRGKRZSA-N 280.324 1.053 0 50 CDAA COC(=O)CC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 77011634 WSZRBHLROKLBBT-JTQLQIEISA-N 285.340 1.766 0 50 CDAA C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Cc1cnnn1C 611786377 OYNQSHDQFNIXEK-DZGCQCFKSA-N 298.390 1.837 0 50 CDAA O=C(CN1C[C@@H](F)C[C@H]1CO)N1CCCc2ccccc21 335887414 BMCSDLYBPQJVLI-KBPBESRZSA-N 292.354 1.371 0 50 CDAA CC(C)(C(=O)Nc1cc2n(n1)CCCC2)N1CCOCC1 286195339 KRDZXVPNMZMWOD-UHFFFAOYSA-N 292.383 1.269 0 50 CDAA CCc1nn(C)c2c(=O)n(C[C@@H](O)c3ccccc3)cnc12 43073350 KTKZHWCSWQIREP-CYBMUJFWSA-N 298.346 1.426 0 50 CDAA CC(C)n1cnc(C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c1 239591333 BAWYBIQFWUWJEF-IUODEOHRSA-N 293.367 1.484 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(C1)OC(=O)N=C2O 328578090 ZFYOLMHKHVOXRA-LBPRGKRZSA-N 270.285 1.863 0 50 CDAA O=C(Cn1ccnc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222585186 NHFHSZJKQBQWOC-XZDPQHSOSA-N 289.379 1.593 0 50 CDAA Cc1nnc(N2CC[C@@H](n3cc(Cl)cn3)C2)o1 290888366 SYQQMIGIYBRXFB-SECBINFHSA-N 253.693 1.679 0 50 CDAA Cc1ccc(OC[C@@H]2CN3CCOB(OCC3)O2)cc1 195816468 YQIQWPLIVGKKJU-AWEZNQCLSA-N 277.129 1.106 0 50 CDAA CS(=O)(=O)c1nccn1CC[C@H]1CCCC1=O 178675900 SBPAUFSUOAWYJD-SECBINFHSA-N 256.327 1.046 0 50 CDAA Cc1ccccc1CN(CCO)C(=O)[C@H]1CCC[C@H](O)C1 220646857 RJDHXOILRKRQLM-HOCLYGCPSA-N 291.391 1.867 0 50 CDAA CCc1ocnc1C(=O)N(C)Cc1nncn1C(C)C 82091918 PCFWQZMFAYFRLZ-UHFFFAOYSA-N 277.328 1.682 0 50 CDAA COCCN(Cc1cnc(N(C)C)nc1)CC1CC1 220395976 KOAFTKQMJMJTEK-UHFFFAOYSA-N 264.373 1.401 0 50 CDAA CC(C)OCCN1CCC(NC(=O)c2ccsn2)CC1 295421671 VZAWZLMMXHYMPW-UHFFFAOYSA-N 297.424 1.762 0 50 CDAA O=C1C[C@H](C(=O)NCCc2cc[nH]n2)c2ccccc2N1 426699905 JBBVJLGXLVJQDD-LBPRGKRZSA-N 284.319 1.194 0 50 CDAA Cc1nc(N(C)CC2CCOCC2)c2cnn(C)c2n1 179341981 WTTFRGGGKPDKKZ-UHFFFAOYSA-N 275.356 1.535 0 50 CDAA CNC(=O)[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 335609522 DPECCZMWAGIFQN-MRVPVSSYSA-N 273.258 1.673 0 50 CDAA c1cc(-c2nc([C@@H]3CCOC3)no2)cc(-n2cnnc2)n1 96139316 BTLJZTXRLGZBCE-SNVBAGLBSA-N 284.279 1.216 0 50 CDAA CN1[C@H]2CC[C@H]1CN(C(=O)c1cc(C3CC3)on1)CC2 239882346 DBHWHRSMNSIVDO-RYUDHWBXSA-N 275.352 1.861 0 50 CDAA CC(=O)NCCCc1ncnn1-c1cccc(Cl)c1 91390670 PNBQTZQWYZSHEH-UHFFFAOYSA-N 278.743 1.989 0 50 CDAA CCCn1cnnc1CNc1nc(C)nc2ncccc12 95353336 CKCWYWZDOAXDEH-UHFFFAOYSA-N 283.339 1.947 0 50 CDAA CN1N=C(C(=O)OC(C)(C)C)S(=O)(=O)c2ccccc21 96511522 MDVHGKKQLPGABX-UHFFFAOYSA-N 296.348 1.565 0 50 CDAA OCCN1CCN(C[C@@H]2CCOc3ccccc3C2)CC1 95529734 SUHHDRQTPXLAGF-OAHLLOKOSA-N 290.407 1.238 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)c1cccc(C(=O)O)c1 97618937 BJDAKGFUQNQWFS-UHFFFAOYSA-N 292.335 1.419 0 50 CDAA COCCN(CC(=O)O)Cc1cc(C(C)(C)C)[nH]n1 244741894 NYOWVCUTQIESJT-UHFFFAOYSA-N 269.345 1.240 0 50 CDAA O=C(N[C@H]1CCc2cc(F)ccc21)[C@H]1C[C@H]1C(=O)O 268916517 QKSFQEJGHCKRBC-TUAOUCFPSA-N 263.268 1.650 0 50 CDAA CCC1(CC)CCN(C(=O)NCc2ccc(=O)[nH]n2)CC1 297712668 RZBPQXATSVDLHQ-UHFFFAOYSA-N 292.383 1.882 0 50 CDAA CCC[C@H]1CCCCN1C(=O)CNS(=O)(=O)CC 183044013 YGPMMMPEENTWFT-NSHDSACASA-N 276.402 1.107 0 50 CDAA CN(C(=O)CCc1nncn1-c1ccccc1)[C@H]1CCNC1 299739488 PAIQFCGQYZHTNA-AWEZNQCLSA-N 299.378 1.020 0 50 CDAA NCCN(CCc1ccccc1)C(=O)[C@@H]1C[C@]12CCNC2 261796516 VFKWETAESSJQRE-RDJZCZTQSA-N 287.407 1.016 0 50 CDAA CC(C)n1cnnc1CCNC(=O)CCC(F)(F)F 299784060 OABJAUBKMJMDSA-UHFFFAOYSA-N 278.278 1.860 0 50 CDAA O=C(NC1(c2cc(F)cc(F)c2)CC1)C(=O)N1CCCC1 299762133 LAMDCQXPTWQXPC-UHFFFAOYSA-N 294.301 1.693 0 50 CDAA COCCn1ccnc1CN1CC(c2ccncc2)C1 824466104 HMJAHQMBMQYFPV-UHFFFAOYSA-N 272.352 1.524 0 50 CDAA O=C(NCCc1cnn[nH]1)N1CCC(c2ccccc2)CC1 735201728 QLAVLFKPEUFGSV-UHFFFAOYSA-N 299.378 1.936 0 50 CDAA CCN1CCC[C@H]1Cn1cnc2cccnc2c1=O 584891307 HNEFQQJLRCDMNA-NSHDSACASA-N 258.325 1.276 0 50 CDAA C[C@H](CC(=O)O)N1CCN(C(=O)CCC2CCC2)CC1 630223499 JSJDHPPCYOYALK-GFCCVEGCSA-N 282.384 1.574 0 50 CDAA Cc1cc(C)n(-c2ccccc2CN2CCCNC(=O)C2)n1 670438009 PLCFSWAWAAPKHL-UHFFFAOYSA-N 298.390 1.811 0 50 CDAA Cc1cccc2c1C[C@H](NC(=O)[C@H]1CC[C@H](N)CC1)CO2 876993955 XOGRJMPNEBEGCN-IHRRRGAJSA-N 288.391 1.932 0 50 CDAA CNC(=O)CO[C@H](c1ccccc1)c1ccnn1C 1875382122 RKICBNHKVOIBAA-CQSZACIVSA-N 259.309 1.272 0 50 CDAA C[C@@H](O)C(=O)N1CCC(CNC(=O)C2CCCCC2)CC1 952966413 HMXJGJCUEPEOLS-GFCCVEGCSA-N 296.411 1.302 0 50 CDAA O[C@@H]1CN(C2CCN(C3CCCC3)CC2)C[C@H]1F 952989679 SPLPPOBHEUHYTK-ZIAGYGMSSA-N 256.365 1.408 0 50 CDAA Cc1cc(F)cc(CN2CC[C@@H](O)[C@@H](CO)C2)c1 1143580447 KIKRCVPCLDXAGK-TZMCWYRMSA-N 253.317 1.309 0 50 CDAA C=CC(=O)NC[C@@H](c1nnc2ccc(C)nn12)C(C)C 1776000225 PYNHTUICNJXNLJ-LLVKDONJSA-N 273.340 1.475 0 50 CDAA CCOC(=O)c1nc(N)sc1I 39121827 KTNLDLYUFMOCFN-UHFFFAOYSA-N 298.105 1.507 0 50 CDAA in-vitro CNC(=O)[C@H]1CCCCN1C(=O)c1ccnc2ccncc12 275132175 NXTBZSGMZLUEGW-CQSZACIVSA-N 298.346 1.371 0 50 CDAA COc1ccc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c(C)c1 1074549597 ILGFNOOBQXGODS-BFHYXJOUSA-N 261.321 1.911 0 50 CDAA O=C(O)CSc1nc(C(F)(F)F)nc2[nH]cnc12 514864831 MERQTXGEONENPY-UHFFFAOYSA-N 278.215 1.548 0 50 CDAA C[C@@H](N[C@H]1CCN(C)C1=O)c1cccc(-n2ccnc2)c1 170088224 KOKFEYICBHYIDS-DOMZBBRYSA-N 284.363 1.754 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1 95707319 HZMYOCGJMSBEDV-ZETCQYMHSA-N 265.256 1.963 0 50 CDAA in-vitro CCO[C@@H](C)C(=O)NCCN1CCc2sccc2C1 170591615 GDKJENRKMMKEJK-NSHDSACASA-N 282.409 1.647 0 50 CDAA CCOC(=O)c1cnccc1N1CCC[C@H](N(C)C)C1 170603426 GMTCSLKLXIOUCN-LBPRGKRZSA-N 277.368 1.789 0 50 CDAA COc1cccc([C@@H](C(=O)O)N2CCCO[C@H](C)C2)c1 634691968 RLTUZYNQEVNWQS-RISCZKNCSA-N 279.336 1.932 0 50 CDAA OC[C@@H](CNc1ccc(C(F)(F)F)nn1)[C@H]1CCOC1 280901395 GYNACJFMXXNFLS-DTWKUNHWSA-N 291.273 1.552 0 50 CDAA CCc1nnc(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)o1 408046791 YBKOODHFPJCPPB-UPJWGTAASA-N 295.383 1.384 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N(CCO)Cc1ccccc1 188303909 HDWFJPIKVYGNQE-DZGCQCFKSA-N 277.364 1.823 0 50 CDAA CCOCCN(C)C[C@H]1CN(c2ccccc2)CCO1 408522621 KQJHKGIUTDPICC-INIZCTEOSA-N 278.396 1.860 0 50 CDAA COCCc1nnc(SCc2ccsc2)n1N 408522632 KWAWROCBSBAURK-UHFFFAOYSA-N 270.383 1.535 0 50 CDAA COC(=O)C1(c2csc(-c3cnn(C)c3)n2)CC1 593932597 YQRWTZFXOOMFEB-UHFFFAOYSA-N 263.322 1.748 0 50 CDAA C[C@@H]1CN(C)CC[C@H]1NS(=O)(=O)Cc1ccccc1 225197770 SNMCPLULFXHMFL-TZMCWYRMSA-N 282.409 1.446 0 50 CDAA COc1ccc(CCS(=O)(=O)c2ncc(C)cn2)cc1 191028924 RNTDMJANCSYIAC-UHFFFAOYSA-N 292.360 1.810 0 50 CDAA CN(C)C(=O)C[C@]1(O)CCCN(c2ccncc2Cl)C1 643719125 SWKCWPUHXJYNKV-CQSZACIVSA-N 297.786 1.545 0 50 CDAA CN1CCC([C@H]2CCN(c3ncccc3C(=O)O)C2)CC1 647451636 BLLRFKISIKDUTN-ZDUSSCGKSA-N 289.379 1.948 0 50 CDAA Cc1nccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)n1 659203732 HXKVOVWGNCCOGA-UHFFFAOYSA-N 289.295 1.054 0 50 CDAA C[C@H](c1ccncc1)N1CCC(N=c2cncc[nH]2)CC1 571875815 AXNPIHQFGXVBDN-CYBMUJFWSA-N 283.379 1.931 0 50 CDAA CN1CCC(NC(=O)c2c(C3CC3)cnn2C)CC1 665509932 ZSDIQPASROOHLI-UHFFFAOYSA-N 262.357 1.122 0 50 CDAA COc1ccsc1S(=O)(=O)N[C@H](C)c1cc[nH]n1 583650486 FUEQSAJNOWWODX-SSDOTTSWSA-N 287.366 1.519 0 50 CDAA CNC(=O)Cn1cc(NC[C@H]2CC2(Cl)Cl)cn1 585117472 FLLYRXJEHANPSO-SSDOTTSWSA-N 277.155 1.235 0 50 CDAA O=C(NC1(CO)CCSCC1)c1cc(Cl)no1 585121987 IWXYXNXIGVFRQH-UHFFFAOYSA-N 276.745 1.316 0 50 CDAA C[C@H](NC(=O)[C@H](C)c1cnn(C)c1)c1cncc(F)c1 679815133 AILXJPPKTAHJEE-ZJUUUORDSA-N 276.315 1.935 0 50 CDAA COc1nc(C)ccc1C(=O)N1CCCC[C@@H]1CC(=O)O 683324452 HVHVMELWDNZDPN-LLVKDONJSA-N 292.335 1.868 0 50 CDAA Cc1ccc(NC(C)(C)C(=O)N2C[C@H](O)CO2)cc1 1506397640 WDTMQPIRMKKYSC-LBPRGKRZSA-N 264.325 1.320 0 50 CDAA CC(C)C(=O)Nc1cccc(C(=O)N2C[C@@H](O)CO2)c1 1506401408 JEKBYVUXMDLJEZ-GFCCVEGCSA-N 278.308 1.029 0 50 CDAA O=C(c1cnc(Cl)c(Cl)c1)N1CCOCC1 19402929 CWLKAWOIVKGBIK-UHFFFAOYSA-N 261.108 1.861 0 50 CDAA COc1nn(C)c(C)c1NC(=O)c1oc(C)nc1C 1875246723 LBSXTKWGGDDNJS-UHFFFAOYSA-N 264.285 1.594 0 50 CDAA O=S(=O)(NCc1ccco1)c1ccc(F)cc1 238996 YZOCTNGXNPMLGJ-UHFFFAOYSA-N 255.270 1.897 0 50 CDAA in-vitro Cc1cccc(OC2CN(CC[C@@H]3COCCO3)C2)c1 1800410927 DORDPCCKXJVBQZ-OAHLLOKOSA-N 277.364 1.864 0 50 CDAA CO[C@](C)(C(=O)O)C(=O)Nc1cccc(Cl)c1 656846494 KUOQPZZSMKHSGS-NSHDSACASA-N 257.673 1.768 0 50 CDAA N=c1[nH]nc(N2CCCN(c3ccccc3)CC2)s1 1857672847 ILYADDXKGYLEQC-UHFFFAOYSA-N 275.381 1.667 0 50 CDAA O=C(NC1CC(CO)(CO)C1)c1cccc(Cl)c1 828692194 WZMMFINONPGTAI-UHFFFAOYSA-N 269.728 1.203 0 50 CDAA Cn1ccc2c(NC(=O)O[C@H]3CNOC3)cccc21 1615571720 LYBRDBNQXIDBPN-VIFPVBQESA-N 261.281 1.630 0 50 CDAA CCOc1ccc(CN2C[C@H]3CCN(C)C(=O)[C@H]3C2)cn1 1772816720 SWSZTQAPXZBSFK-KGLIPLIRSA-N 289.379 1.390 0 50 CDAA CS(=O)(=O)C[C@@H]1CCCN(c2ncnc3cc[nH]c23)C1 1772808099 GDEDPEQAWFNRDL-SNVBAGLBSA-N 294.380 1.219 0 50 CDAA OCCn1cnc2cc(-n3ccnc3-c3cnc[nH]3)ccc21 1772809742 FIFMYNBXECTKPM-UHFFFAOYSA-N 294.318 1.604 0 50 CDAA CCc1cc(N2C[C@@H]3C[C@@]3(C)C2)nc(N2CCOCC2)n1 1772810897 QIYLPGHUFHKYMV-LRDDRELGSA-N 288.395 1.722 0 50 CDAA CN1CCN(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 5029640 SEFBRYSBBNZRNZ-UHFFFAOYSA-N 292.427 1.417 0 50 CDAA O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCCCC1 5029693 LRBZBYUWANWFAX-CQSZACIVSA-N 293.363 1.779 0 50 CDAA O=S(=O)(NCCCn1ccnc1)c1ccc(Cl)cc1 5286212 UZNJVWRQQSQPPH-UHFFFAOYSA-N 299.783 1.905 0 50 CDAA in-vitro CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCOCC1 13329678 XJFUOGAMTWACND-ZDUSSCGKSA-N 267.300 1.842 0 50 CDAA COc1ccc(CNCCCCCO)cc1OC 13717828 SSKNWXFAEVHOSD-UHFFFAOYSA-N 253.342 1.956 0 50 CDAA CCc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2CC)cc1 13828316 BKRBHDWQJQHPJA-CQSZACIVSA-N 290.363 1.825 0 50 CDAA O=C(NC1CC1)[C@@H]1CCCN(Cc2cccc3nccn23)C1 1645654459 LSDXLLYPPKRYRW-CYBMUJFWSA-N 298.390 1.825 0 50 CDAA CN(C)S(=O)(=O)Cc1c(F)cccc1Cl 16578054 QMIQCPIIWHGTNB-UHFFFAOYSA-N 251.710 1.871 0 50 CDAA O=C(C[C@H]1OC(=O)c2ccccc21)N[C@H]1COC2(CC2)C1 1857527061 RJQCHCNKORHCQP-ZWNOBZJWSA-N 287.315 1.726 0 50 CDAA O=C1C[C@H](Cn2ccnc2-c2ccccn2)CN1C1CC1 1857676824 STVWQOFEBSCFGN-GFCCVEGCSA-N 282.347 1.956 0 50 CDAA NC(=O)[C@H](CO)n1ccnc1-c1cccc2ncccc12 1857687378 VAMNHOIRZVOKHX-ZDUSSCGKSA-N 282.303 1.117 0 50 CDAA O=C1C[C@H]2CN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C[C@H]2N1 1857701068 LMPCSXNJGBHDLX-GXTWGEPZSA-N 296.330 1.037 0 50 CDAA Cc1cc2c(cc1NC(=O)[C@@H]1C[C@@H]1C(=O)O)OCO2 258694998 MTVYMMWGGDXGIF-SFYZADRCSA-N 263.249 1.383 0 50 CDAA COC(=O)CC(=O)c1cncc(Br)c1 153864 YVDRZMXIMURBFZ-UHFFFAOYSA-N 258.071 1.590 0 50 CDAA in-vitro COc1ccccc1OCCCN1CC[C@H](CO)[C@@H](O)C1 1875250745 DHFUBQULPWRGCJ-KGLIPLIRSA-N 295.379 1.139 0 50 CDAA CC[C@@H]1OCC[C@H]1NC(=O)[C@H](C)c1cnn(C)c1 1129634609 ZGOYROJAEVEPEN-JLLWLGSASA-N 251.330 1.207 0 50 CDAA O=C(NCCN1CCNCC1)Nc1ccc(Cl)cc1 19798636 XWEVSELENOOAOY-UHFFFAOYSA-N 282.775 1.367 0 50 CDAA CC[C@@H]1CN([C@H](CC)C(=O)N[C@@H](C)c2ncon2)CCO1 253408124 WRKARDVKFBQBJG-QJPTWQEYSA-N 296.371 1.136 0 50 CDAA O=C(O)c1cnn([C@H]2CCCN(C(=O)c3ccco3)C2)c1 583652226 PBIQXYSYXNGZIR-NSHDSACASA-N 289.291 1.652 0 50 CDAA O=C(O)CNC(=O)c1ccc(OC2CCOCC2)cc1 262584906 GKCZIESZZYVERG-UHFFFAOYSA-N 279.292 1.059 0 50 CDAA CN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CS(=O)(=O)C1 585129072 XDTLBYQDNOZHAQ-GARJFASQSA-N 271.382 1.068 0 50 CDAA Cc1ccc2oc(C(=O)N3CCC[C@H]3C(=O)O)cc2n1 262718798 UIKUTBQSEYJMOG-JTQLQIEISA-N 274.276 1.825 0 50 CDAA CN1CCN(C(=O)COc2ccccc2Cl)CC1 19832001 NENILZSCPKXZIY-UHFFFAOYSA-N 268.744 1.493 0 50 CDAA O=C(NC[C@]12CCCC[C@@H]1C2)[C@H]1CCc2nncn2CC1 927460740 XRGUBPWDAGOYBV-WOSRLPQWSA-N 288.395 1.927 0 50 CDAA Cn1nnc(NC(=O)N2CCC[C@H]2c2ccsc2)n1 932274497 GMLKWZGJMDJEFY-VIFPVBQESA-N 278.341 1.641 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 225601909 ONILNZAYAKHDQE-WYUUTHIRSA-N 293.706 1.933 0 50 CDAA CN(C)CCNC(=O)c1csc2c1CCCC2 5070053 PEHBDKFJNKQFMH-UHFFFAOYSA-N 252.383 1.918 0 50 CDAA C[C@@](O)(CNc1cccc(C(=O)O)n1)C(F)(F)F 263436156 VIORKAQFZSIKTG-SECBINFHSA-N 264.203 1.505 0 50 CDAA CCNC(=O)CN1CCO[C@H](c2cccc(F)c2)C1 171237601 PMYFBNCODHXFKG-ZDUSSCGKSA-N 266.316 1.335 0 50 CDAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1(CO)CCOCC1 300416125 KIKKGTSALYUDCU-AVGNSLFASA-N 267.369 1.470 0 50 CDAA CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Cl)ccc2C)C1 311576112 VUSIPQPDUPFSJK-RYUDHWBXSA-N 283.755 1.870 0 50 CDAA FC(F)(F)c1n[nH]c2c1CN(Cc1ccno1)CC2 364113027 XLNDIXNXXRJPKC-UHFFFAOYSA-N 272.230 1.975 0 50 CDAA Cc1noc(CCCN2CCC[C@@H]3[C@H](O)C(C)(C)[C@@H]32)n1 693060488 NLIFBDVPAASWQS-YUTCNCBUSA-N 279.384 1.792 0 50 CDAA Cc1nc(N2C[C@@H](O)[C@H](F)C2)c2ccsc2n1 1529095701 TYGXGZKZJDYBNW-RKDXNWHRSA-N 253.302 1.519 0 50 CDAA O=c1[nH]c(=O)c2c(-c3ccc(Cl)cc3)ccnc2[nH]1 9420052 WWQXJKUNIXZWNM-UHFFFAOYSA-N 273.679 1.932 0 50 CDAA COc1ccc(CN2CCC(N3CC(O)C3)CC2)c(F)c1 2100482822 AWHJTSGJIKPPHZ-UHFFFAOYSA-N 294.370 1.475 0 50 CDAA O=C(c1cnsc1)N1CCC[C@H](c2nnc(O)o2)C1 2325784791 JHQDINHMQCVONK-ZETCQYMHSA-N 280.309 1.252 0 50 CDAA O=C(c1ccoc1C1CC1)N1CC[C@H](c2nc(=O)o[nH]2)C1 2325810184 CIOCJGKCDYOJNA-VIFPVBQESA-N 289.291 1.463 0 50 CDAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc[nH]c(=O)c1 123955048 BYVUIYZBWAXNQN-CYBMUJFWSA-N 290.363 1.987 0 50 CDAA Cc1cc(NS(=O)(=O)c2ccc(F)cc2)no1 116196 BCENARJLBIOPLD-UHFFFAOYSA-N 256.258 1.923 0 50 CDAA O=C(c1ccncc1)N1CCN(C(=O)c2ccco2)CC1 266681 QBBAZLIROKFMLW-UHFFFAOYSA-N 285.303 1.273 0 50 CDAA COc1cc(F)ccc1S(=O)(=O)n1cnc(C)c1 440564 UWKCKLUMQQLRDN-UHFFFAOYSA-N 270.285 1.576 0 50 CDAA COc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1OC 496413 UADJQCDFCCXDBA-UHFFFAOYSA-N 292.335 1.041 0 50 CDAA COc1ccc(C(=O)NC(=O)Nc2ncccn2)cc1 1470934 UNMDBOKCGPYRBK-UHFFFAOYSA-N 272.264 1.447 0 50 CDAA C[C@H](N[C@H]1CCO[C@@H]1c1ccnn1C)c1ccccn1 344260249 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271.324 1.659 0 50 CDAA Cc1ccc(N2CCN[C@H](c3ccc(O)cc3)C2)nn1 1875286961 OOEDZZHOFWDYDT-AWEZNQCLSA-N 270.336 1.642 0 50 CDAA c1cc2c(=N[C@@H]3CCN(CC4CCCC4)C3)[nH]ccn2n1 1875271948 TZOKDKUOFPXVFQ-CQSZACIVSA-N 285.395 1.828 0 50 CDAA O=C(OCc1cc(O)nc(O)n1)[C@H]1CCCC12CCC2 1875295891 UFEGKZOUAMGJSZ-SNVBAGLBSA-N 278.308 1.901 0 50 CDAA O[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1Nc1nc2cccnc2[nH]1 1875398849 GZFMRXDDGNQIHQ-RAIGVLPGSA-N 298.350 1.406 0 50 CDAA CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCC 952868781 ARMYACUQMNCIFD-LLVKDONJSA-N 276.402 1.059 0 50 CDAA Cc1cccnc1[C@H](C)NC(=O)CCS(C)(=O)=O 952869983 SDKDQRBYHJPNOS-JTQLQIEISA-N 270.354 1.002 0 50 CDAA COCc1ncc2c(n1)CCN(C[C@H](O)c1ccccc1)C2 879107461 XYGNEMGCHJCXGK-INIZCTEOSA-N 299.374 1.715 0 50 CDAA O[C@@H]1CN(C2CCN(Cc3ccccc3)CC2)C[C@H]1F 952968586 FFOKGGKOWRQWNC-HZPDHXFCSA-N 278.371 1.666 0 50 CDAA COc1ccnc(Cn2cc([C@@H](O)C3CC3)nn2)c1 881286667 BTGXIGTWQCGCLW-ZDUSSCGKSA-N 260.297 1.173 0 50 CDAA COc1cccc(O)c1C(=O)NC[C@H]1CCCOC1 244695586 JPCJUJSPVKKMHC-SNVBAGLBSA-N 265.309 1.557 0 50 CDAA Cc1ocnc1-c1csc(CN2CCOCC2)n1 1775993606 SFGWEEKFRLOERL-UHFFFAOYSA-N 265.338 1.939 0 50 CDAA CC1(COc2cc(S(C)(=O)=O)ccc2F)COC1 1775989328 KTXCTJICHOFHND-UHFFFAOYSA-N 274.313 1.645 0 50 CDAA CC[C@H](C(=O)N(C)C[C@H](O)C1CC1)n1ccnc1 1776005329 CXVDXAZTFHHCMH-NEPJUHHUSA-N 251.330 1.064 0 50 CDAA CCOC(=O)[C@H]1CN(Cc2ccccc2)CCC1=O 54960046 ROSZJQBQGFBFSW-ZDUSSCGKSA-N 261.321 1.641 0 50 CDAA in-vitro Cc1ncoc1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1363680155 XYFYLZWODYKLKX-JTQLQIEISA-N 279.340 1.246 0 50 CDAA OCCN=c1cc2c(n[nH]1)-c1ccccc1CCC2 631030048 ITLGQZBUVMPXTR-UHFFFAOYSA-N 255.321 1.458 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNCc1ccc(C(=O)N(C)C)[nH]1 275237573 FCZHTCGVSNMSHQ-IUODEOHRSA-N 293.411 1.867 0 50 CDAA COC[C@H]1[C@@H](Nc2ncc(F)c(N(C)C)n2)[C@H]2CCO[C@H]21 1074614658 YASQVSBDHJFQIA-LLHIFLOGSA-N 296.346 1.144 0 50 CDAA O=C(CCc1ccccc1)N1CC[C@H]2CC[C@@H](C1)N2 211622561 LJGQMYARFPHDRQ-CABCVRRESA-N 258.365 1.972 0 50 CDAA Cc1cnn(-c2ccc(OCC(=O)NC3CC3)cc2)c1 170604882 JJQCXHZDQSMQBN-UHFFFAOYSA-N 271.320 1.838 0 50 CDAA O=c1[nH]nc(-c2nc(-c3cocn3)no2)c2ccccc12 170615416 CAIPVKGNGJBDQG-UHFFFAOYSA-N 281.231 1.628 0 50 CDAA COC(=O)c1scc(C)c1NC(=O)Cc1cnn(C)c1 186945566 RUGHVURKFGZLCO-UHFFFAOYSA-N 293.348 1.758 0 50 CDAA CN(C)CCCOC1CCN(C(=O)[C@H](O)C2CCC2)CC1 408519583 VQGMABAACXJQJR-OAHLLOKOSA-N 298.427 1.107 0 50 CDAA CC(C)=CC(=O)NCCN1CCN(C(=O)C=C(C)C)CC1 408516700 QCLIFZCFHIKCTO-UHFFFAOYSA-N 293.411 1.179 0 50 CDAA COC(=O)[C@H](c1ccccc1C)N1CC[C@@H](C)[C@@H](O)C1 221861149 MVVXLHKUSWPCRO-SNPRPXQTSA-N 277.364 1.912 0 50 CDAA O=C(NCc1ccccc1)C(=O)Nc1ncccc1F 225688279 ZPHNMDCLVJFHNK-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1ccc(C)c(F)c1 643849352 ZIBPGTATEBKSRP-HNNXBMFYSA-N 295.310 1.840 0 50 CDAA O=C(NC[C@H](O)C1CCC1)c1cc2cccnc2[nH]1 560768063 PJDYDBYVDGWLSV-LBPRGKRZSA-N 259.309 1.454 0 50 CDAA COC(=O)c1nccc(N2CC[C@H](c3ccncc3)C2)n1 599104893 VOQIASOYZPOEPV-LBPRGKRZSA-N 284.319 1.652 0 50 CDAA N=c1ccnc(CN2Cc3ccc(O)cc3C3(CC3)C2)[nH]1 566321524 ISGMAWCIRLFTTB-UHFFFAOYSA-N 282.347 1.642 0 50 CDAA Cc1c[nH]cc1C(=O)N1CCC2(CCN(C)CC2)C1 573711970 YLHWELJVUIYQJF-UHFFFAOYSA-N 261.369 1.881 0 50 CDAA Cc1nc2c([nH]1)C[C@@H](C(=O)NCCCn1cccn1)CC2 582562132 JJUNAUNHPINBLP-LBPRGKRZSA-N 287.367 1.226 0 50 CDAA O=C(NCCc1ccco1)c1cc(O)nc(C2CC2)n1 583449871 YWKPDLIZBXLDNY-UHFFFAOYSA-N 273.292 1.625 0 50 CDAA C[C@H]1CN(C(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)CCO1 685939894 VQMMOYPUWJOVCN-UKIVVQBQSA-N 279.380 1.565 0 50 CDAA Cc1nc(=NC[C@@H]2CCCN(Cc3ccco3)C2)n(C)[nH]1 1529124991 CUNSICRVHVRAOM-ZDUSSCGKSA-N 289.383 1.463 0 50 CDAA Cc1nn(C)c(C)c1CN(C(=O)c1cccc(N)n1)C1CC1 1529178416 KWSDAGGRKJJTTJ-UHFFFAOYSA-N 299.378 1.819 0 50 CDAA C[C@@]1(C(=O)NC[C@@H]2CCCCS2)CCC(=O)N1 821848536 MBBUFUPVXPRFCV-CABZTGNLSA-N 256.371 1.057 0 50 CDAA Cn1nc(Br)nc1Sc1nnc(N)s1 1531862468 MIGNOJNJDUQITM-UHFFFAOYSA-N 293.175 1.163 0 50 CDAA CCOc1ccc(NC(=O)CSC(N)=O)cc1 143999 XYBKQXFWDFDLAQ-UHFFFAOYSA-N 254.311 1.836 0 50 CDAA O=C(O)CN1CCC2(CC1)OCCc1sccc12 1704300320 XRZKWRRVZAYEDF-UHFFFAOYSA-N 267.350 1.697 0 50 CDAA CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O 3887280 PQVVECYLSLMVBT-JTQLQIEISA-N 275.301 1.213 0 50 CDAA in-vitro Cc1nsc(N(C)CCc2nccc(O)n2)n1 1875288070 MJFBZZWQEOOPTB-UHFFFAOYSA-N 251.315 1.021 0 50 CDAA O=S1(=O)CCCN1c1ccccc1Br 19439997 XYPXIGBSXPLFNW-UHFFFAOYSA-N 276.155 1.989 0 50 CDAA in-vitro Cc1cc(O)nc(CN2C[C@H](C)OC3(CCC3)C2)n1 1615046472 AMXJCBBGHIQRDN-NSHDSACASA-N 263.341 1.634 0 50 CDAA N[C@H]1CN(C(=O)c2nncc3ccccc23)CC12CCC2 1615555686 WQPXWGFQLCSFSY-ZDUSSCGKSA-N 282.347 1.583 0 50 CDAA CC(C)(C)Nc1nc(N2CCOCC2)[nH]c(=S)n1 5817178 RELFTYZWHVMZCS-UHFFFAOYSA-N 269.374 1.581 0 50 CDAA CC(C)[C@@H](CO)NC(=O)c1cn(C2CCCCC2)nn1 12708313 CIDGTGYFWUOSNK-CYBMUJFWSA-N 280.372 1.530 0 50 CDAA CSc1ccc(CC(=O)NCc2nnc(C)o2)cc1 19740639 YEWMFBLJKUTZHK-UHFFFAOYSA-N 277.349 1.959 0 50 CDAA COc1ccc(CN(C)Cc2cc(C)[nH]n2)c(OC)n1 19811535 BLHYCQBFXJLYIW-UHFFFAOYSA-N 276.340 1.762 0 50 CDAA CCc1nc(CN(C)[C@H]2CCOC3(CCNCC3)C2)no1 1857673867 MAZJWIZTANYMEX-LBPRGKRZSA-N 294.399 1.365 0 50 CDAA O=C(NCCc1ccc(F)cc1)[C@@H]1CCc2ncnn2C1 1857701666 SWWXMMNOUIBRRD-GFCCVEGCSA-N 288.326 1.339 0 50 CDAA C[C@H]1CCCN(Cc2ccccc2CNC(=O)CN)C1 237503852 BTXVIWSMWBKVKT-ZDUSSCGKSA-N 275.396 1.493 0 50 CDAA NC(=O)COC1CCN(C[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)CC1 1650051045 XHZGDGHIUVEGCW-YHPBZONMSA-N 288.338 1.244 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(c2ncc(Cl)cn2)C1 643745206 XNEAPUAGXSHTQJ-ZJUUUORDSA-N 279.731 1.820 0 50 CDAA C[C@@H]1CC[C@H](C(=O)NCc2ccc(C(=O)O)cc2)O1 157871666 NNIMHBAGGOZEJN-BXKDBHETSA-N 263.293 1.569 0 50 CDAA CCCCOc1ncccc1CNC(=O)[C@H](O)C(C)(C)O 585121101 FZAZEIYCYQZWHD-LBPRGKRZSA-N 296.367 1.009 0 50 CDAA Cc1nonc1CC(=O)N1CCc2sccc2C1 845126872 DEQUWTHLRQRGHD-UHFFFAOYSA-N 263.322 1.567 0 50 CDAA CN(C(=O)c1cccc2scnc12)C1CS(=O)(=O)C1 913136750 PFZYIUGMOSBKQM-UHFFFAOYSA-N 296.373 1.165 0 50 CDAA Cn1nccc1NC(=O)[C@@H](O)c1ccc(Cl)cc1F 813432338 WAKIVGAVSQYPAI-NSHDSACASA-N 283.690 1.885 0 50 CDAA CCCCNC(=O)CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 110649036 CDHBHYQVUMQZFV-FDYHWXHSSA-N 252.358 1.012 0 50 CDAA COc1ccc(OC[C@@H](O)Cn2ccnc2C)cc1 267545 JFMRPUVOWVOWKX-LBPRGKRZSA-N 262.309 1.640 0 50 CDAA COCC[C@H](CO)NC(=O)c1ccc(OC(F)F)cc1 225564485 DCLWERFMVFCQHM-SNVBAGLBSA-N 289.278 1.415 0 50 CDAA O=C(Nc1ccncc1)c1n[nH]c(=O)c2ccccc12 8780237 RHGIMWWIIQPBEW-UHFFFAOYSA-N 266.260 1.570 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](C)c2nc[nH]n2)cc1C 128909903 LYEYXKUDAZAXKC-SNVBAGLBSA-N 280.353 1.461 0 50 CDAA NC[C@H](NC(=O)c1cc(-c2ccco2)on1)C1CC1 159293632 AVSKOUCXTKLTAX-JTQLQIEISA-N 261.281 1.402 0 50 CDAA COc1ccc(O)c(C(=O)N[C@@H]2CCCOCC2)c1 180179278 YTBOZAYWYLUPIR-SNVBAGLBSA-N 265.309 1.700 0 50 CDAA COc1ccnc(CN(C)C[C@H]2CCCO2)c1OC 190401701 USGLAIFPVWSBMZ-LLVKDONJSA-N 266.341 1.710 0 50 CDAA Cn1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn1 77303252 KGSNOPMUZQFAMI-SNVBAGLBSA-N 259.313 1.163 0 50 CDAA OC[C@@H]1COCCN(c2ncnc3sccc23)C1 77541766 PFOFWGGJGLFGRW-SECBINFHSA-N 265.338 1.136 0 50 CDAA Cc1ccc(O)c(CN2CCC[C@@H](C)[C@H]2C(=O)O)n1 424423183 UNHOQDYFKJBNRY-RNCFNFMXSA-N 264.325 1.781 0 50 CDAA Cc1cc(C(=O)NCc2csc(C)n2)cc(O)n1 679090628 FGSVFUYUHIVDSH-UHFFFAOYSA-N 263.322 1.791 0 50 CDAA COC(=O)[C@H](C(=O)NC[C@H]1CCCO1)C1CCCC1 33757 YVUQQXCYHUSPNM-NEPJUHHUSA-N 269.341 1.261 0 50 CDAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O 107110 XZECNVJPYDPBAM-CYBMUJFWSA-N 260.293 1.388 0 50 CDAA biogenic Cc1cc(-c2nnc3n2Cc2ccccc2OC3)n[nH]1 2100478130 UGLFPNTUOHINJA-UHFFFAOYSA-N 267.292 1.917 0 50 CDAA COCc1nc(-c2ccc([C@H]3CNC(=O)C3)cc2)nn1C 2100547104 BPQZOCMABQZBOP-GFCCVEGCSA-N 286.335 1.232 0 50 CDAA O=C(CC1C[C@H]2C[C@@H]2C1)Nc1n[nH]c2c1COCC2 2325781063 HPURSPGEBJMSKG-UWVGGRQHSA-N 261.325 1.857 0 50 CDAA CN(C[C@@](C)(O)c1ccccc1)C(=O)C[C@@H]1C=C[C@H](N)C1 2325798955 LIRAKIZLVGKRNX-UKPHBRMFSA-N 288.391 1.646 0 50 CDAA COc1ccc2c(c1)C=C(C(=O)N[C@@H]1C[C@@H]1C)CO2 151213104 FVOHUIWUFLPAMQ-TVQRCGJNSA-N 259.305 1.996 0 50 CDAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCN)cc1 53768 AKNMFKYHSBWRLH-GFCCVEGCSA-N 282.409 1.751 0 50 CDAA CCOC(=O)CS(=O)(=O)c1ccc(Cl)cc1 160916 BKBFOPDOLZURHT-UHFFFAOYSA-N 262.714 1.677 0 50 CDAA Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)no1 204673 GIPYUJSFJNPNKL-DTWKUNHWSA-N 252.270 1.813 0 50 CDAA COc1cc(CN2CCC[C@H](O)C2)cc2c1OCO2 210517 ZLADRTNSAUIYGW-NSHDSACASA-N 265.309 1.381 0 50 CDAA COc1ccc([C@@H]2CC(=O)c3cnc(N)nc3C2)cc1OC 228028 GUJOSGLEORDKLF-JTQLQIEISA-N 299.330 1.989 0 50 CDAA CCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O 272424 GNEWESNRLOGQTC-UHFFFAOYSA-N 297.380 1.143 0 50 CDAA Cc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)nn1C 609997 LNKUKQLDXIOZRZ-UHFFFAOYSA-N 288.307 1.779 0 50 CDAA CCN(CC)CCNC(=O)COc1ccccc1 1771490 SWWSQEFOHKXSMO-UHFFFAOYSA-N 250.342 1.523 0 50 CDAA CO[C@@H](C)c1n[nH]c(=Nc2ccccc2CCO)s1 2356142155 GWXJNMZUJQDRCO-VIFPVBQESA-N 279.365 1.946 0 50 CDAA COc1ccc(-c2nc(-n3ccnc3)n[nH]2)c(F)c1 2356170867 KPQBQJXXMOUTQV-UHFFFAOYSA-N 259.244 1.805 0 50 CDAA NC(=O)c1ccsc1NC(=O)c1ccc2c(c1)OCO2 4750409 OWSIYVUKRFKBSM-UHFFFAOYSA-N 290.300 1.828 0 50 CDAA CN(C)C[C@@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1 113448892 BILCKLVQZBAHBH-AWEZNQCLSA-N 298.390 1.896 0 50 CDAA Cc1nc(C)c(C(=O)Nc2cccc(-n3nnnc3C)c2)o1 174213243 JAXORPGGNCWEEL-UHFFFAOYSA-N 298.306 1.828 0 50 CDAA CC(C)[C@@H](C)N(C)C(=O)c1cc(CN2CCOCC2)on1 67690633 VWNOBCMUAMULNY-GFCCVEGCSA-N 295.383 1.623 0 50 CDAA CCn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2 65362024 KXCWIHBEYVBHQU-UHFFFAOYSA-N 262.244 1.192 0 50 CDAA COc1cc(N2CC[C@@](O)(c3ccccc3C)C2)ncn1 65526568 JAQLVBWOIFUJKC-INIZCTEOSA-N 285.347 1.892 0 50 CDAA Cc1nnc(NC(=O)N[C@H]2CCc3ccccc3C2)[nH]1 23506022 PADRURLBPQUUNF-LBPRGKRZSA-N 271.324 1.792 0 50 CDAA Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1 170603814 QOYZRQSWXCLPIO-SNVBAGLBSA-N 266.345 1.302 0 50 CDAA Cn1cnc(C(=O)N2CCC[C@@H]2c2cccnc2)n1 352235810 ZKAIWOQTDLRPGY-LLVKDONJSA-N 257.297 1.187 0 50 CDAA C[C@@H](CCc1ccccc1)NC(=O)CN(C)S(C)(=O)=O 22606684 AWGQUIALIPNIKK-LBPRGKRZSA-N 298.408 1.015 0 50 CDAA Cc1noc(C)c1CCC(=O)N1CCC[C@H](OCCO)C1 178657140 WGLJTIJRLGUIQO-ZDUSSCGKSA-N 296.367 1.224 0 50 CDAA O=C([C@@H]1CCOC1)N1CCC[C@@H](N2CCCC2)C1 119898923 RTFPVXDGZZOXSR-CHWSQXEVSA-N 252.358 1.110 0 50 CDAA C[C@@H](CNC(=O)c1c[nH]nn1)Oc1cccc(Cl)c1 172874911 XXIYDWBLVGDRFC-QMMMGPOBSA-N 280.715 1.655 0 50 CDAA Cc1nc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)no1 121124421 PVZMGVLKBIPAMN-GXFFZTMASA-N 295.289 1.964 0 50 CDAA O=S(=O)(C/C=C/Cl)NCc1nccn1C(F)F 253430381 QMGLPQTXFVSJGJ-OWOJBTEDSA-N 285.703 1.450 0 50 CDAA Cc1c[nH][nH]c1=NC(=O)c1cccc(-n2cccn2)c1 328593426 CCDRUGSXIULEOI-UHFFFAOYSA-N 267.292 1.578 0 50 CDAA CC(C)CCN1CCC[C@H]1c1nc(C(N)=O)no1 328648465 UPHBATFMIPVOCN-VIFPVBQESA-N 252.318 1.352 0 50 CDAA COc1cccc(CN2C[C@H](OC)C[C@H]2c2ncn[nH]2)n1 284576466 NNTAGUCTXFRDQP-NEPJUHHUSA-N 289.339 1.170 0 50 CDAA O=c1c2nccnc2ncn1Cc1n[nH]c2c1CCCCC2 32598291 DVVWTKHALAZRSB-UHFFFAOYSA-N 296.334 1.227 0 50 CDAA Cc1nc(NCC[C@H]2CCOC2)c2c(C)nn(C)c2n1 72433863 GGVLOUGMIXBWDG-NSHDSACASA-N 275.356 1.819 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)c1cccc(C[S@](C)=O)c1 262213776 ULTDBQNNJVCKEE-HOGDKLEQSA-N 283.349 1.110 0 50 CDAA Cn1cc([C@@H]2C[C@@H]2C(=O)NOCc2ccc(F)cc2)cn1 374948387 NVBPAIKTUCECCK-KBPBESRZSA-N 289.310 1.911 0 50 CDAA CO[C@]1(C)C[C@@H](N(C)C(=O)c2csc(CN)n2)C1(C)C 237266781 JRPKDHNJGNVPRU-QMTHXVAHSA-N 297.424 1.877 0 50 CDAA COc1cccc2c1OC[C@@H](NCc1cncn1C)C2 237364928 SZIWKOWDUIGFAS-LBPRGKRZSA-N 273.336 1.522 0 50 CDAA COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@H](N)C1 158332417 PQYSSNYESPZRID-OWNNVSBGSA-N 274.364 1.967 0 50 CDAA O=C(c1ccc(C(F)(F)F)cn1)N1C[C@@H](F)C[C@H]1CO 336178030 SZVMETCFSPNQKD-IUCAKERBSA-N 292.232 1.645 0 50 CDAA C[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)N(C)C1CC1 240333659 FEQSNETXIMENLX-ZRJCITRHSA-N 295.427 1.582 0 50 CDAA COc1cc(C(=O)N2CC[C@H](N)C2)ccc1OC(C)C 132581389 HKUPOIXAHZLHLV-LBPRGKRZSA-N 278.352 1.656 0 50 CDAA O=C(C[C@H]1CCC(=O)N1)Nc1ccc2c(=O)[nH]ccc2c1 855454327 ZTGLDSIKFFJOJU-LLVKDONJSA-N 285.303 1.135 0 50 CDAA CC(C)CN(CC(F)(F)F)C(=O)Cn1ccnn1 177759610 HCKFOZDPFSOTIA-UHFFFAOYSA-N 264.251 1.325 0 50 CDAA O=C(O)CCN1CCC[C@H](c2nccn2CC2CC2)C1 82135202 KARVUSIMJFSKOY-ZDUSSCGKSA-N 277.368 1.947 0 50 CDAA Cc1ccc2c(n1)sc1c(=O)n(C[C@H](C)O)cnc12 43139853 WHKVQNDQSGMKOL-QMMMGPOBSA-N 275.333 1.695 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@@H](CNC)C1 178969973 QINLMEJGIIQFGF-ZDUSSCGKSA-N 276.380 1.696 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3)n2)C1 178989540 NYDDPJCQQWHFAG-CQSZACIVSA-N 298.390 1.862 0 50 CDAA CCN1C(=O)C[C@H](n2c(C)nc3ccccc32)C1=O 84459979 CWBRWMQQJPAGKT-LBPRGKRZSA-N 257.293 1.665 0 50 CDAA COC(=O)c1sc2cncc(N(C)C)c2c1N 136500134 VNNHYXYDAQHYMB-UHFFFAOYSA-N 251.311 1.731 0 50 CDAA c1coc([Si](c2ccco2)(c2ccco2)c2ccco2)c1 195801218 CXIRYLAUBXNUBV-UHFFFAOYSA-N 296.354 1.436 0 50 CDAA Cc1cnc(CNC(=O)N(C)CCC[C@@H]2CCCO2)cn1 426361307 XCLLIQUPZKJXEA-CQSZACIVSA-N 292.383 1.886 0 50 CDAA O=C(NCc1cc(F)c(F)c(F)c1)[C@H]1COCCO1 97547647 KIEDTEXZOQAYGY-SNVBAGLBSA-N 275.226 1.136 0 50 CDAA C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)O 238856612 WOCMPGNCIWTDFK-ULAWRXDQSA-N 291.225 1.057 0 50 CDAA 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Cc1nc2c([nH]1)CC[C@@H](C(=O)N(C)Cc1nccs1)C2 164393322 ILGXILHCPVGEEC-SNVBAGLBSA-N 290.392 1.938 0 50 CDAA CC1(C)[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)CS1(=O)=O 823399078 WEVJGPDHMYPHER-IUCAKERBSA-N 295.351 1.504 0 50 CDAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc[nH]1 858007853 AXYNDZKDHNXHTM-WCQYABFASA-N 288.351 1.646 0 50 CDAA Cc1[nH]c2ccccc2c1CC(=O)NC1(C(=O)O)CC1 203658648 SFLXPBYSCCSYCT-UHFFFAOYSA-N 272.304 1.752 0 50 CDAA Cc1cnn(CCN[C@H](Cn2cccn2)C(C)C)c1 225747633 FTADBALKLBLWHM-CQSZACIVSA-N 261.373 1.702 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](C)[C@H]1C(=O)O 235379031 FOMZUCGOCGDDPG-PELKAZGASA-N 279.340 1.362 0 50 CDAA C[C@H](C(=O)O)N1CCO[C@@H](c2ccccc2F)C1 237444970 XIKFJNHWAZXJMB-BXKDBHETSA-N 253.273 1.672 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)CC2CCOCC2)C1 237521977 WBPOBDPXXVDPPO-CYBMUJFWSA-N 255.314 1.126 0 50 CDAA C[C@]1(CN)CCN(C(=O)c2cccc3c2OCCO3)C1 261836857 VFUKHUMHSOLQIB-OAHLLOKOSA-N 276.336 1.269 0 50 CDAA CC[C@@H](OC)C(=O)N1CCCC[C@@H]1CCC(=O)O 262149022 LJJMOWIYLBOOIN-GHMZBOCLSA-N 257.330 1.657 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)CCO1 262922966 IVNCLHSPEGZRHN-AGIUHOORSA-N 283.368 1.905 0 50 CDAA COc1cc(C(=O)NC[C@@]2(O)CCCC2(C)C)nn1C 294591885 YUHSJSCYKOHETG-AWEZNQCLSA-N 281.356 1.100 0 50 CDAA C[C@@H](CC(C)(C)O)NC(=O)c1ccc(O)cc1F 297296727 UPKZZHJIMRQTBE-QMMMGPOBSA-N 255.289 1.811 0 50 CDAA Cn1ccnc1CN(CCC(=O)NC(C)(C)C)C1CC1 299771765 WXUQMPRXNNEIPD-UHFFFAOYSA-N 278.400 1.689 0 50 CDAA O=C(NC[C@H](CC1CC1)C(=O)O)C1CCOCC1 405394836 HYUSRJRNELUTSX-NSHDSACASA-N 255.314 1.030 0 50 CDAA O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CC(O)(CO)C1 615428507 KVETWNHFLWBKRY-FRRDWIJNSA-N 267.369 1.159 0 50 CDAA O=S1(=O)CCCCN1Cc1nccn1CC(F)(F)F 330311308 NTPUWXDYXVNDLB-UHFFFAOYSA-N 297.302 1.371 0 50 CDAA CN(CCO)CCN(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 691251803 ZQIDYBWVVZINOH-IHRRRGAJSA-N 268.401 1.195 0 50 CDAA CC1CCC(O)(CNC2=NC[C@@H]3CC[C@H](C)CN23)CC1 2325864576 SRQLPSMKZZSNCY-WJEHIRDRSA-N 279.428 1.987 0 50 CDAA O=C(Nc1nncs1)N1CCC[C@@H]1c1ncccn1 902988845 WPYGTUWNLWRCDW-MRVPVSSYSA-N 276.325 1.697 0 50 CDAA O=CN1CCN(C(=O)c2ccc(Cl)cc2)CC1 40649 CVZBWBZCTPHBJL-UHFFFAOYSA-N 252.701 1.254 0 50 CDAA COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1O 405995 DJCRXBNKTDNEAY-OIBJUYFYSA-N 255.295 1.189 0 50 CDAA Cc1ccn(C(=O)c2cc3ccccc3oc2=O)n1 1926025 FCAGWSVPZLZEKA-UHFFFAOYSA-N 254.245 1.986 0 50 CDAA COC(=O)c1cc2cc3n[nH]nc3cc2cc1C(=O)OC 2519675 UMXSNAZVTHHRFP-UHFFFAOYSA-N 285.259 1.684 0 50 CDAA Cc1nc(N2CC[C@@]3(CN(C)C(=O)O3)C2)nc(C)c1C 2356144382 VHUFQLKYMRTDIT-CQSZACIVSA-N 276.340 1.433 0 50 CDAA O=C(NCCCNCc1ccccc1)c1ccccn1 2829065 GGUVPGZAANNKDU-UHFFFAOYSA-N 269.348 1.991 0 50 CDAA CCOC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 2864303 BIQGNXFHLATHSK-UHFFFAOYSA-N 285.365 1.633 0 50 CDAA c1ccc([C@@H]2CN(Cc3ccn4ncnc4c3)CCO2)nc1 2356167127 TVKPKCHSQCAFIC-HNNXBMFYSA-N 295.346 1.698 0 50 CDAA CCN1CCOC(=O)[C@H]1CC(=O)Nc1cccc(C)c1 54274476 JAXIXFXTFOHINJ-CYBMUJFWSA-N 276.336 1.571 0 50 CDAA CC(=O)Nc1ccc(NC(=O)CSc2ncn[nH]2)cc1 8670664 WTNCCZZQBKUIOB-UHFFFAOYSA-N 291.336 1.494 0 50 CDAA Cn1cnc(C(=O)N2CCC[C@H]2c2cccnc2)n1 352235811 ZKAIWOQTDLRPGY-NSHDSACASA-N 257.297 1.187 0 50 CDAA COc1ccc(OCCCC(=O)NCCN(C)C)cc1 10111694 HFSAMNANPWBWDE-UHFFFAOYSA-N 280.368 1.532 0 50 CDAA CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621181 SZONRYVFSAMTBE-UHFFFAOYSA-N 258.277 1.013 0 50 CDAA CC1(C)CNC(=O)c2nc(CCNc3cccnc3)[nH]c2C1 65405856 MNDSFOSAMZRAGH-UHFFFAOYSA-N 299.378 1.771 0 50 CDAA C[C@@H](C(=O)N(C)C)N(C)Cc1cccn1-c1ncccn1 65526077 DOMBKJMDRVLANP-LBPRGKRZSA-N 287.367 1.176 0 50 CDAA O=C1NCCCc2[nH]c(-c3cnc4c(c3)CCC4)nc21 65382765 XVTDPUKJDZGSMP-UHFFFAOYSA-N 268.320 1.636 0 50 CDAA Cc1nccc(C(=O)Nc2ccc(-n3cncn3)cn2)n1 252489467 JRNQPJZHWWCHOO-UHFFFAOYSA-N 281.279 1.013 0 50 CDAA CC[C@@H]1CN(C[C@@H]2CCC=CO2)C[C@@]2(CCOC2)O1 370210040 MZDBLLRGRBFFPK-QLFBSQMISA-N 267.369 1.949 0 50 CDAA CCCn1cc(C2=CCN(CCNC(C)=O)CC2)cn1 67834160 LTNIQKRQYGYBIV-UHFFFAOYSA-N 276.384 1.518 0 50 CDAA COC(=O)C(Oc1ccc(Cl)cc1)C(=O)OC 168339 QAZOUQVJXMWOAE-UHFFFAOYSA-N 258.657 1.433 0 50 CDAA CCOc1ccc([C@@H](COC)NC(=O)[C@@H]2CCOC2)cc1 253416726 KGFDWQFJLHFZKR-UKRRQHHQSA-N 293.363 1.926 0 50 CDAA O=C(NC1(C(=O)O)CCOCC1)c1ccsc1 127419190 OVNZJCQHDFQDSX-UHFFFAOYSA-N 255.295 1.112 0 50 CDAA CN1CCN([C@@H]2CCCCN(C(=O)C(C)(C)C)C2)CC1 173277688 YXFGWJBACZGQKY-CQSZACIVSA-N 281.444 1.661 0 50 CDAA Cn1cnnc1[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 328651080 VVHYCLNDXQAVPH-STQMWFEESA-N 262.357 1.545 0 50 CDAA OC[C@]1(F)CCN(c2nnc(-c3ccon3)s2)C1 329219345 SKNROWZQGHCSDY-JTQLQIEISA-N 270.289 1.104 0 50 CDAA O=C(NCc1nnc(C2CC2)o1)c1ccnc(C2CC2)n1 329250566 BBVXLZHAEVVXSO-UHFFFAOYSA-N 285.307 1.544 0 50 CDAA CCc1nnc(CN(CC)C(=O)c2cccc3ccnn23)o1 72124014 KZHZAWJUXSQNIM-UHFFFAOYSA-N 299.334 1.942 0 50 CDAA Cn1cnc2cc(CN3CC(n4ccnn4)C3)ccc21 329393427 USXWONBTHZSDJU-UHFFFAOYSA-N 268.324 1.222 0 50 CDAA CC(C)N(C)Cc1nc([C@@H]2CN3CCCC[C@H]3CO2)no1 329741048 VTRFHMOVEHYFHG-STQMWFEESA-N 294.399 1.836 0 50 CDAA CC(C)=C(F)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 127102997 PYZOVURQICTQOC-LLVKDONJSA-N 266.320 1.780 0 50 CDAA O=C1CC[C@H](C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)N1 332799907 REMJOPWUWSLWKZ-NFAWXSAZSA-N 288.347 1.159 0 50 CDAA COc1ccccc1C/C(C)=C/C(=O)N1CC[C@H](N)C1 237115394 WBSXXBXSWBGVMB-WONIAPNHSA-N 274.364 1.744 0 50 CDAA CN1[C@H]2CC[C@H]1CN(c1nccc(-c3cnccn3)n1)CC2 333557336 NPCOIKVERNGZGM-STQMWFEESA-N 296.378 1.607 0 50 CDAA COc1ccc2c(c1)CCN2C(=O)c1ccc(C(=O)O)nc1 237536650 SWZVKABFOXFBDC-UHFFFAOYSA-N 298.298 1.991 0 50 CDAA C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCOC(C)(C)C2)CC1 334402258 OFZZOXDBFAQMFH-STQMWFEESA-N 296.411 1.709 0 50 CDAA Cc1c[nH]cc1C(=O)N1CC[S@@](=O)C[C@H](C)C1 334865073 ONZAWLNULQRLLQ-VVVCHXIZSA-N 254.355 1.164 0 50 CDAA CC1=NO[C@@H](C(=O)N2CCC(c3ccncc3)CC2)C1 71761448 RTRPMLLSIYNNOR-CQSZACIVSA-N 273.336 1.952 0 50 CDAA CC1(C)C[C@H](NC(=O)c2cc(C(=O)O)ccn2)C(C)(C)O1 263374751 BCHILDWEENSZDD-NSHDSACASA-N 292.335 1.856 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NC1(CO)Cc2ccccc2C1 335735378 FGOSLRHYCOKHEU-SWLSCSKDSA-N 289.375 1.448 0 50 CDAA NS(=O)(=O)N1CCC([C@H](F)c2ccccc2F)CC1 336385543 BGBZXMCXAZWSAG-LBPRGKRZSA-N 290.335 1.752 0 50 CDAA CC(C)(C)[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 336609755 FSHULJWTLDXVEJ-NWDGAFQWSA-N 266.385 1.797 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cc(C(C)C)n(C)n2)C1 178984916 ZTEIEIHXCDEDRQ-LLVKDONJSA-N 264.373 1.225 0 50 CDAA COC(=O)[C@H](C)NC(=O)Cc1ccc(Cl)cc1 42204561 QTDYIOMAYBRIAR-QMMMGPOBSA-N 255.701 1.560 0 50 CDAA CC(C)c1nc(CNC(=O)N(C)Cc2cccnc2)no1 426398993 IGHANOKFNQZLPV-UHFFFAOYSA-N 289.339 1.930 0 50 CDAA NC[C@@H]1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 178516690 PAIOCXSARRSALD-JQWIXIFHSA-N 294.782 1.698 0 50 CDAA C[C@H](OCc1ccc(F)cc1)C(=O)N1CCOCCN1 615503330 KIURSWZVIZPGDT-NSHDSACASA-N 282.315 1.094 0 50 CDAA CN1CCC(C)(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)CC1 426397337 DDVVDCXHGJYWFS-GFCCVEGCSA-N 291.399 1.243 0 50 CDAA CCn1cc(C(=O)C(=O)NCCCN2CCCCC2)cn1 179353972 HFGFYHJMUGSLIL-UHFFFAOYSA-N 292.383 1.078 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@H](C)CCCC(C)(C)O)[nH]1 426386904 NATNLZUONFKCST-SNVBAGLBSA-N 280.368 1.743 0 50 CDAA CC(C)(N)C(=O)N1CCC(OCC2CCCC2)CC1 236775152 UGKIVSPHYBQICX-UHFFFAOYSA-N 268.401 1.922 0 50 CDAA Cc1nccn1CC1(CNC(=O)C2CCOCC2)CC1 97819477 GIGUVIHGKMZYEZ-UHFFFAOYSA-N 277.368 1.515 0 50 CDAA O=C([C@H]1CCOC1)N1CCc2[nH]c(-c3ccccc3)nc2C1 95524149 TWWWTRBFCQWENK-ZDUSSCGKSA-N 297.358 1.998 0 50 CDAA C[C@@H]1CN(C(=O)c2cccs2)C[C@@]1(O)C1CC1 91793581 CQEIDSAAJNATNF-RNCFNFMXSA-N 251.351 1.981 0 50 CDAA COCc1cc(N(C)CCn2ccnc2C)ncn1 95385561 CRMISACWKBEINM-UHFFFAOYSA-N 261.329 1.264 0 50 CDAA CC(C)[C@@]1(CO)CCCN(c2ncnc3nc[nH]c23)C1 293919581 DQWRHTPRWGFTCX-AWEZNQCLSA-N 275.356 1.588 0 50 CDAA COCCN1CCC(CN(C)c2ncccn2)CC1 91988112 XQFOLKBCXFEWQJ-UHFFFAOYSA-N 264.373 1.271 0 50 CDAA O=C(Cc1ccccc1Br)N[C@H]1CCOC1=O 140643790 MMJSTOMMZPSKSQ-JTQLQIEISA-N 298.136 1.423 0 50 CDAA COCCC[C@]1(CO)CCCN(CCCC(=O)O)C1 91645116 XTQQCGKQYDTDGL-CQSZACIVSA-N 273.373 1.352 0 50 CDAA C[C@@H](Oc1cccnc1)C(=O)N1CC2(CCOC2)C1 294193298 BZNVQOGOQUIFNI-LLVKDONJSA-N 262.309 1.098 0 50 CDAA CCc1ncc(C(=O)NCc2cnc(C)cn2)cn1 97360137 QXQZZDHEEOAJIF-UHFFFAOYSA-N 257.297 1.067 0 50 CDAA O=C(C[C@H]1CCCN1C(=O)CO)c1ccc(F)cc1 295531949 NLGHKOVWDUWGNT-GFCCVEGCSA-N 265.284 1.382 0 50 CDAA Cc1noc(COCC(=O)N[C@@H]2CC23CCCCC3)n1 180677832 LSKWLQSFRRMEEM-LLVKDONJSA-N 279.340 1.734 0 50 CDAA CCOc1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)ccc1OC 268918530 RAEYTQKUDKGYQR-GHMZBOCLSA-N 293.319 1.431 0 50 CDAA COCc1cc(N[C@@H](COC)c2ccccn2)ncn1 95357940 YPLKFQYSKXEQJZ-ZDUSSCGKSA-N 274.324 1.818 0 50 CDAA O=C(c1ccc[nH]1)N1CCN(Cc2ccccc2)C[C@H](O)C1 95503349 AOIKIPWYNMHAIK-HNNXBMFYSA-N 299.374 1.334 0 50 CDAA CC[C@H](C)[C@H](Nc1nc2c(s1)c(C)nn2C)C(N)=O 96162340 NKUGBYDGXGSCFV-XPUUQOCRSA-N 281.385 1.650 0 50 CDAA O[C@H](CNc1ccncn1)COC1CCCCC1 91594656 CRAIDYNALCYNDR-LLVKDONJSA-N 251.330 1.599 0 50 CDAA O=C(NCCc1c[nH]cn1)C1CCN(C2CCCC2)CC1 97696159 NSTMASJMNSEVGX-UHFFFAOYSA-N 290.411 1.723 0 50 CDAA COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@H]1C(=O)O 268931830 YSBLTAFUBIROND-NWDGAFQWSA-N 277.320 1.383 0 50 CDAA O=C(O)Cn1nc([C@H]2CCOC2)nc1CC1=CCCC1 97660476 MAOPQYGGTNKNJQ-NSHDSACASA-N 277.324 1.519 0 50 CDAA CCc1ncc(NC(=O)NC(C)(C)c2noc(C)n2)cn1 269526465 IWKHFQLRKFBBIX-UHFFFAOYSA-N 290.327 1.787 0 50 CDAA O=c1c(Br)ccnn1CC(F)(F)F 606242793 PMYKUARWBLGNMU-UHFFFAOYSA-N 257.009 1.568 0 50 CDAA C[C@]12CC[C@@H]1C[C@H]2OC(=O)CSc1nc(N)cc(O)n1 253496338 LFHCXXKMFOBUED-RBDZCENOSA-N 295.364 1.588 0 50 CDAA Cc1cc(C(=O)N2CCC(CO)CC2)c2n[nH]cc2c1 269571357 PQHBTGIABWVCHR-UHFFFAOYSA-N 273.336 1.716 0 50 CDAA CC(C)Cc1cc(CNC(=O)COC(C)C)on1 252499205 RWYSVDSMBJHSIH-UHFFFAOYSA-N 254.330 1.914 0 50 CDAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[C@](C)(C(=O)O)C1 299741114 CVEYKECDUGRXLR-ZOWXZIJZSA-N 299.367 1.284 0 50 CDAA CC(C)(C(=O)NCCCOC1CCCC1)N1CCOCC1 352626073 DHDWPLDRUFBPKX-UHFFFAOYSA-N 298.427 1.563 0 50 CDAA CCN1C(=O)N[C@H](c2ccc(OC)cc2)C2=C1COC2=O 263615605 DEOLWBPICNOTDV-CYBMUJFWSA-N 288.303 1.592 0 50 CDAA Cc1cnn(CCC(=O)N(C)Cc2c[nH]nc2C)c1 636066186 DORLXSVFICQIFY-UHFFFAOYSA-N 261.329 1.272 0 50 CDAA Cc1cc(C(=O)NCCc2nncn2C(C)C)nc(C)n1 299783965 YBGMOZIUEHYGNM-UHFFFAOYSA-N 288.355 1.238 0 50 CDAA CCC(=O)N[C@H](C)c1ncnn1Cc1ccc(OC)cc1 822533251 SARTWCBKZDBUIY-LLVKDONJSA-N 288.351 1.922 0 50 CDAA CN1CCC(OCCCN=c2cc[nH]cc2F)CC1 584892305 TYBWEFZJMUYKBR-UHFFFAOYSA-N 267.348 1.555 0 50 CDAA CCN1CCCC[C@@H]1CNC(=O)c1n[nH]cc1Cl 823113247 YLMBYKXUAGMDCA-SECBINFHSA-N 270.764 1.667 0 50 CDAA CCCc1cc(CNC(=O)c2cc(=O)c(OC)c[nH]2)on1 584888169 ZKICBXZYMRZKOT-UHFFFAOYSA-N 291.307 1.254 0 50 CDAA Cc1csc2c(=O)n([C@H]3CCCNC3=O)cnc12 584884846 VARLUEKVXGDBNU-QMMMGPOBSA-N 263.322 1.218 0 50 CDAA Cn1c(CO)nnc1C1CCN(C[C@H]2CC=CCC2)CC1 670444964 CSEYSHDZJGQUBC-ZDUSSCGKSA-N 290.411 1.843 0 50 CDAA CC(C)N1CCC(C(=O)NC2(C(N)=O)CCCC2)CC1 746264864 HLJLOQJTNVYCJX-UHFFFAOYSA-N 281.400 1.021 0 50 CDAA CC(C)c1noc(=O)n1CC(=O)N1CCCC[C@H]1C 1875391665 QTMVADGWTIBKOW-SNVBAGLBSA-N 267.329 1.361 0 50 CDAA O=C(O)c1cccc(NC(=S)NC(=O)C2CC2)c1 1875306685 BYSQCHNENKXVCR-UHFFFAOYSA-N 264.306 1.608 0 50 CDAA Cc1cn(C)nc1NC(=O)NCC1(Br)CC1 952963947 OAXWFZLLHFRVLA-UHFFFAOYSA-N 287.161 1.778 0 50 CDAA COCCN(C)CC(=O)Nc1cccc(-n2cccn2)c1 952981081 YZUHDRAXCMTJBK-UHFFFAOYSA-N 288.351 1.389 0 50 CDAA C[C@H](CNC(=O)NCC[S@](=O)C(F)(F)F)C1CC1 888097344 FZJKQFKYUFMNNL-MDTSDYNXSA-N 286.319 1.600 0 50 CDAA CC(C)N1CC[C@H](N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1=O 245771051 MKHNSZDPYAELGA-MQYQWHSLSA-N 266.385 1.543 0 50 CDAA CNc1cc(N2CCC[C@H](n3nc(C)nc3C)C2)ncn1 892387892 XAQPUEOYEAYOCU-LBPRGKRZSA-N 287.371 1.568 0 50 CDAA CCOCc1nc(C)cc(N[C@H]2CCCN(C(N)=O)C2)n1 892743809 ZFGUCFHBCMZYPT-NSHDSACASA-N 293.371 1.277 0 50 CDAA Cc1ccc(NC(=O)c2[nH]nnc2[C@H]2CCCN2)cc1 1775984807 COYIIHQHLMPQQU-LLVKDONJSA-N 271.324 1.790 0 50 CDAA O=C(CC[C@H]1CCOC1)NCc1n[nH]c2c1CCCC2 1775988275 ROMJWQWKQGJIMA-NSHDSACASA-N 277.368 1.721 0 50 CDAA CO[C@@H]1C[C@@H](c2nnc3n2CCC3)N(CC2CC2)C1 1775957074 BLFMKTIAXCBLGG-NEPJUHHUSA-N 262.357 1.396 0 50 CDAA O=C(O)CC[C@@]1(NC(=O)Cc2ccc(O)cc2)CCOC1 1775998261 UFUMEEGFQNKIMI-OAHLLOKOSA-N 293.319 1.075 0 50 CDAA C[C@H](NC(=O)c1ccccc1N1CCCC1=O)c1nc[nH]n1 1776002284 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CDAA COc1ccc(S(=O)(=O)/N=c2/cc(C)cc[nH]2)cc1 193646 IMSDZEDVZUTKQB-UHFFFAOYSA-N 278.333 1.621 0 50 CDAA Cc1c(-n2ccnc2-c2cnc(N(C)C)nc2)cnn1C 1857693760 LGACGOFZPJAQBK-UHFFFAOYSA-N 283.339 1.437 0 50 CDAA Cc1cc(NC(=O)C2(C(=O)O)CC2)n([C@@H](C)C2CC2)n1 1529118559 MSKNXIRJCXCUFY-VIFPVBQESA-N 277.324 1.966 0 50 CDAA Cc1ccc2nc(CCN3CCO[C@H](C(=O)O)C3)[nH]c2c1 1529101555 HQSUFONLGLWWEW-ZDUSSCGKSA-N 289.335 1.199 0 50 CDAA CCn1ncc(C(=O)NC)c1NC(=O)c1c(C)noc1C 1875244250 ONKSOJRWJKGXDV-UHFFFAOYSA-N 291.311 1.120 0 50 CDAA O=C1NCCN1CCn1ccnc1-c1cnsc1 1875244418 JJFIFKZXIHLAOV-UHFFFAOYSA-N 263.326 1.032 0 50 CDAA Cc1nc(C)c(CN2CC[C@H](C(=O)O)[C@H](O)C2)s1 1704330651 ZHOBDTXHWUIWGI-VHSXEESVSA-N 270.354 1.027 0 50 CDAA Cc1c(CNC(=O)Nc2ccc(F)cn2)cnn1C 123445591 UFMMJXLVPIIKFY-UHFFFAOYSA-N 263.276 1.584 0 50 CDAA C[C@@H]1CSCCN1C(=O)c1cc2n(n1)CCCO2 336484686 WCPUIYRGKSMJLJ-SECBINFHSA-N 267.354 1.243 0 50 CDAA COC[C@@]1(c2noc(Cn3ccc(C)n3)n2)CCCCO1 1615571763 PCCDVBSRJMVLQS-CQSZACIVSA-N 292.339 1.665 0 50 CDAA CC(=O)Nc1cccc(N[C@@H](C)CS(=O)(=O)N(C)C)c1 1616041474 UEWNGSQLFHEGIX-JTQLQIEISA-N 299.396 1.337 0 50 CDAA O=C(Nc1ccccc1)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 137570933 MFUCMTIVYRQXAH-KKOKHZNYSA-N 261.277 1.503 0 50 CDAA COc1ccc(OCCCN2C[C@H]3C[C@@H](O)[C@H]3C2)cc1 1772711792 KFIUFLVVAFNNMC-UHOFOFEASA-N 277.364 1.777 0 50 CDAA O=c1c2ccccc2ncn1CCN1CCCCC1 5739625 ASCJEWULDAPEFO-UHFFFAOYSA-N 257.337 1.882 0 50 CDAA c1cn(-c2ccc(-n3cnnn3)cc2)c(-c2cnsc2)n1 1857702739 BFARERVGZRDRMO-UHFFFAOYSA-N 295.331 1.972 0 50 CDAA N[C@@H]1CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 237926192 ZMYVYEIMGYDKDR-CQSZACIVSA-N 292.354 1.926 0 50 CDAA N[C@H]1CCN(C(=O)CCCOc2ccccc2F)C1 237919159 SRZRAHKDZYQHEB-NSHDSACASA-N 266.316 1.544 0 50 CDAA CN1C[C@@H]2[C@H](CCN2C(=O)c2ccccc2-c2cn[nH]c2)C1 635953024 CRPDHWWMNBYFLF-MLGOLLRUSA-N 296.374 1.853 0 50 CDAA Cn1c(C(=O)N2CCC[C@H]2CO)cc2ccccc21 125189953 GIGOLFCRGDLFFM-LBPRGKRZSA-N 258.321 1.775 0 50 CDAA Cc1noc(C)c1C(=O)N[C@@H](Cc1ccncc1)C(=O)O 655603068 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MHZKZRHKTLVKPZ-UHFFFAOYSA-N 254.677 1.598 0 50 CDAA C[C@@H]1CN(C(=O)c2nn(C)cc2Cl)CC[C@]1(C)O 91452376 JTAHDYKRTYBOEL-PELKAZGASA-N 271.748 1.307 0 50 CDAA CNc1nc(N2CCC3(CC2)OCCC[C@@H]3O)ncc1F 91644764 SRYRJBZMNZNHGS-NSHDSACASA-N 296.346 1.168 0 50 CDAA CCn1ccnc1C1CCN(C(=O)[C@H]2CCN(C)C2)CC1 97775454 GSFXEYFTSOGJQV-AWEZNQCLSA-N 290.411 1.561 0 50 CDAA CS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2O)C1 245338708 NYTATNGMUMIOOE-USZNOCQGSA-N 272.414 1.873 0 50 CDAA CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CCCN1[C@H]2c1ccc(F)cc1 248050607 QZZNCEYZNMCPSB-XUXIUFHCSA-N 288.322 1.576 0 50 CDAA CC1=CCN(C(=O)NC[C@H](C)C(=O)OC(C)C)CC1 253413937 UDJFIERQRXWNNM-LBPRGKRZSA-N 268.357 1.936 0 50 CDAA CCc1cnc(N2CCN(CCCC(=O)O)CC2)s1 299752689 VBHHMUIEXORVIA-UHFFFAOYSA-N 283.397 1.692 0 50 CDAA CN(CC1CC1)C(=O)c1ccc(-c2ncn[nH]2)cc1 184681149 CEBVFNUXIBWNLZ-UHFFFAOYSA-N 256.309 1.954 0 50 CDAA CCC[C@@H](NC(C)=O)C(=O)NCC1(CN2CCCC2)CC1 534588844 VBSDHSBJNLARGY-CQSZACIVSA-N 295.427 1.283 0 50 CDAA Cc1nc(C)c(CC(=O)NCc2cc[nH]n2)s1 534592627 JJXGSSRVFOQZLU-UHFFFAOYSA-N 250.327 1.342 0 50 CDAA CCC[C@H](NC(=O)CCc1ccnn1C)c1nccn1C 534667036 ZUXBDUHZCWLILN-ZDUSSCGKSA-N 289.383 1.744 0 50 CDAA CC(=O)N1CCC[C@H](Nc2ncccc2-c2ncon2)C1 534672473 DPZGTKSNJDCTEE-NSHDSACASA-N 287.323 1.554 0 50 CDAA NCc1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 364033178 UDXJEEZFMQMVBB-CYBMUJFWSA-N 270.336 1.156 0 50 CDAA CN1CCC2(CC1)CN(c1ccncc1F)CCO2 641648856 RKVQVTUCMNXBSH-UHFFFAOYSA-N 265.332 1.522 0 50 CDAA CCn1nc(C)c(CNC(=O)[C@H](C)Cn2cncn2)c1C 299796762 OIAMKVRQAWXIKD-SNVBAGLBSA-N 290.371 1.064 0 50 CDAA CC[C@H](CNC(=O)N1CCNCC1)Cc1ccccc1 822620670 KWCNCCMPDFKGRL-AWEZNQCLSA-N 275.396 1.870 0 50 CDAA Cc1cc(C)nc(Cn2cnc3ncccc3c2=O)n1 584903900 CGLVZYXIJZWSAU-UHFFFAOYSA-N 267.292 1.247 0 50 CDAA CC(C)O[C@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H]1O 584902462 XRFXBIJOWNUKMT-RYUDHWBXSA-N 286.759 1.289 0 50 CDAA Nc1ncc(C(=O)NCCOc2ccccc2F)s1 827590693 YRWQOHQFIKBMTC-UHFFFAOYSA-N 281.312 1.673 0 50 CDAA CC[C@H](C(=O)NCc1cncn1CCOC)n1cccc1 584899594 UEJUBAOYXXKRII-CQSZACIVSA-N 290.367 1.599 0 50 CDAA CN(C)C(=O)[C@H]1CN(CC2=CCCCC2)CCO1 670467603 VXVMZVSCFPVGBI-CYBMUJFWSA-N 252.358 1.276 0 50 CDAA Cc1cccc(OC2CN([C@@H](C)CS(C)(=O)=O)C2)c1 670458904 MGLOCQXEOQGVNT-LBPRGKRZSA-N 283.393 1.491 0 50 CDAA Cc1ccnc(N(C)C[C@H]2OCC[C@H]2c2n[nH]c(C)n2)n1 1551463554 ZFHLVZLGQSWYCP-VXGBXAGGSA-N 288.355 1.220 0 50 CDAA Cc1nc(C2CC2)ncc1C(=O)NS(=O)(=O)[C@@H]1C[C@@H]1C 1875285724 XEBILHQLZZZWPX-WRWORJQWSA-N 295.364 1.130 0 50 CDAA Cc1ccc(O)c(C(=O)NCC[C@H]2C[C@H](F)C2)n1 1875321842 XXJYHGDQKRECHZ-MGCOHNPYSA-N 252.289 1.964 0 50 CDAA NC(=O)c1cc(F)cc(C(=O)NCCc2ccccn2)c1 1875336630 DGGCGGSMTKLNIR-UHFFFAOYSA-N 287.294 1.292 0 50 CDAA COC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 72324062 SIJUGBZUEMOBKB-QMMMGPOBSA-N 255.705 1.519 0 50 CDAA in-vitro COCCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(C)=O)C1 886052247 GBUAABJBZNWERN-ZJUUUORDSA-N 296.289 1.081 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)N=c1cc[nH]cc1 1579291683 ONFUFTXNVUXXIU-MRXNPFEDSA-N 283.331 1.251 0 50 CDAA CCSc1cccnc1C(=O)N(C)C[C@H](C)C(=O)O 1593598444 IFKMOBLQHYBQEG-VIFPVBQESA-N 282.365 1.986 0 50 CDAA Cn1c(S)nnc1CNC(=O)[C@@H]1C[C@@H]1C1CCC1 170653228 HDVJUCPVTATPSO-RKDXNWHRSA-N 266.370 1.156 0 50 CDAA Cn1nc(N)c2c1CN(C(=O)OC(C)(C)C)CC2 211645592 LKVUJDIAZAGXJP-UHFFFAOYSA-N 252.318 1.296 0 50 CDAA CCOC[C@H](O)CN1C[C@H](O)C[C@H]1c1cccc(F)c1 281939393 TWBVNBWULSYDPO-KFWWJZLASA-N 283.343 1.331 0 50 CDAA C[C@]1(CO)CCC[C@H]1NC[C@@](C)(O)C(F)(F)F 407953305 BNJOYDBGDNLWFL-OPRDCNLKSA-N 255.280 1.440 0 50 CDAA C[C@H]1CCNC[C@@H]1N=c1ccc2nnc(C(C)(C)C)n2[nH]1 643027514 DOINHCCEJCYUFN-QWRGUYRKSA-N 288.399 1.254 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)c1oc(C)cc1C 643852250 YZLZLYDIRFCTSS-AWEZNQCLSA-N 281.308 1.602 0 50 CDAA Cc1nnc(COC2CN(C(=O)C[C@@H]3CCCCO3)C2)o1 644213404 PMJYLQXUGGAQNR-NSHDSACASA-N 295.339 1.065 0 50 CDAA CC1(C)CN(C(=O)Nc2cnns2)CC(C)(C)O1 192362223 WYAZMEWMDQXZTB-UHFFFAOYSA-N 270.358 1.959 0 50 CDAA Cc1cc(COCC(=O)N2C[C@H]3[C@@H](C2)C3(C)C)on1 193692815 AJCFTGSRVCAHEK-TXEJJXNPSA-N 264.325 1.614 0 50 CDAA O=C(NC1CC1)[C@H]1Cc2ccccc2CN1Cc1cocn1 651874893 LABAHWOMHKSXKZ-MRXNPFEDSA-N 297.358 1.880 0 50 CDAA CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C 195554305 RNNGHFRRNGDDKR-RDBSUJKOSA-N 267.417 1.443 0 50 CDAA COc1cccc([C@H](NC(=O)[C@@H]2CCCCO2)C(=O)O)c1 659173583 CTVIFDADUDCCSL-STQMWFEESA-N 293.319 1.506 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](CC1CC1)C(=O)O 668294253 TTYPKDXQJVRMIZ-ZMLRMANQSA-N 269.341 1.419 0 50 CDAA Cc1cc(C(=O)NCC(C)(C)[C@]2(O)CCCOC2)ns1 585113802 PUSCGUZMGMFYER-AWEZNQCLSA-N 298.408 1.749 0 50 CDAA Cc1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)co1 331678285 TWMVXOGPGAFPMK-LBPRGKRZSA-N 285.365 1.627 0 50 CDAA N[C@@H]1CN(C(=O)c2coc(-c3cccnc3)n2)CC12CCC2 1615555576 VCKLWSOQIIUCDL-CYBMUJFWSA-N 298.346 1.690 0 50 CDAA O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(F)c(O)c1 1615586149 JHGWKQJQXVAVCR-PWSUYJOCSA-N 267.300 1.812 0 50 CDAA N[C@@H]1C[C@@H]2C[C@@H](C(=O)NC3CC4(C3)CC4(F)F)C[C@@H]21 1615554464 SCZBUWPAWNGKAX-IHOMKSGHSA-N 270.323 1.664 0 50 CDAA CN1CCC[C@@H](CN2CCC[C@@H](C(=O)NC3CC3)C2)C1 1615616105 VSSVJCGAIZPQGQ-ZIAGYGMSSA-N 279.428 1.319 0 50 CDAA CCc1ccc(CN2CCCC[C@@H]2C(=O)NC)nc1 215614358 VPQKOUAISAVWLJ-CQSZACIVSA-N 261.369 1.745 0 50 CDAA Cc1ccccc1CC(=O)N1C[C@H]2CCCN2C(=O)[C@H]1C 1772709513 NWWUTACSQHBCMF-UKRRQHHQSA-N 286.375 1.759 0 50 CDAA O=C(c1nnc2n1CCCCC2)N1CCC[C@@H]1C1(O)CC1 1772813534 GFDYNCJDFSAPDS-LLVKDONJSA-N 290.367 1.134 0 50 CDAA CC(=O)c1cnc(N2CCC[C@@H](N(C)C)CC2)nc1C 1772711295 XIXYYSLUFPETES-CYBMUJFWSA-N 276.384 1.908 0 50 CDAA CCc1nc2sc(C(=O)NCC(=O)O)c(N)c2cc1C 5349114 AIRWSJJLFGIKFP-UHFFFAOYSA-N 293.348 1.564 0 50 CDAA Cc1cc(C(=O)N(C)C[C@H]2COc3ccccc3O2)n[nH]1 19938964 QLHSWFGIRJMQJF-NSHDSACASA-N 287.319 1.630 0 50 CDAA O=C1N[C@H]2C[C@@H]1N(C1CCN(CCc3ccccc3)CC1)C2 1857677043 PQODVXAIYOEZFD-RDJZCZTQSA-N 299.418 1.266 0 50 CDAA N=c1[nH]nc(Cn2ccnc2-c2cccc3ccnn23)s1 1857739014 IUZNQIIWXJPAQH-UHFFFAOYSA-N 297.347 1.510 0 50 CDAA COC1(C(=O)N2CCO[C@](C)(c3ccccc3)C2)CC1 606444233 AWLBFJGEFJFBGY-HNNXBMFYSA-N 275.348 1.940 0 50 CDAA CN1CC2(C1)CN(C(=O)CCc1ccc(F)cc1F)C2 1271046556 AQBQATLVUZNYLK-UHFFFAOYSA-N 280.318 1.671 0 50 CDAA CO[C@@H]1CN(C(=O)NC[C@H](C)Cn2cccn2)CC[C@H]1C 225486535 RCKZZAGKVDXSSZ-BFHYXJOUSA-N 294.399 1.586 0 50 CDAA Cc1cc(C(=O)N(CCC(=O)O)Cc2ccccc2)cnn1 630096011 BHDZRCKUCOXNQF-UHFFFAOYSA-N 299.330 1.902 0 50 CDAA Cc1nocc1CNC[C@@H]1CCCO[C@H]1c1ccnn1C 657721532 CRJJVZKVQYLNPO-SWLSCSKDSA-N 290.367 1.974 0 50 CDAA CC(C)C[C@H](C(=O)N(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 251382571 HZELXBDTOFTRJW-JHJVBQTASA-N 292.379 1.441 0 50 CDAA CNC(=O)NCCc1nc(CCCc2ccccc2)no1 253432454 KKUFZGLULSUBCZ-UHFFFAOYSA-N 288.351 1.716 0 50 CDAA C[C@@H]1C[C@H](C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)CCO1 570578850 ZVIXPZOQXIGRJT-UPJWGTAASA-N 299.367 1.284 0 50 CDAA CCOc1cccc(CNC(=O)[C@]2(C)C[C@H](O)CN2C)c1 585121921 GHQFWKTVQWXFEP-BBRMVZONSA-N 292.379 1.157 0 50 CDAA CC[C@](CNC(=O)[C@@H]1CCOC1)(C(=O)O)c1ccccc1 262928949 GEWYMXHUPMHUKV-MLGOLLRUSA-N 291.347 1.572 0 50 CDAA CCCc1ccccc1S(=O)(=O)N[C@H](C)CC(=O)O 902970022 IOKHHCKEUNBBIC-SNVBAGLBSA-N 285.365 1.781 0 50 CDAA CCCN(C(=O)c1cccc2nc(O)[nH]c12)[C@H]1CCNC1 911769373 VACKNNXXZGKAME-JTQLQIEISA-N 288.351 1.483 0 50 CDAA Cc1nc(CCN2CCN3CCC[C@@H]3C2)cs1 20537857 FKVGWKXQVYMWGF-CYBMUJFWSA-N 251.399 1.774 0 50 CDAA C[C@H]1CCCCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 229234265 NQOKBUSNDVTFFM-SWLSCSKDSA-N 297.420 1.998 0 50 CDAA COC[C@H](C)C(=O)N1CCc2ccccc2[C@H]1C(=O)O 262544112 SFXLLHZYKKXWPV-GWCFXTLKSA-N 277.320 1.480 0 50 CDAA CN(Cc1ccco1)C(=O)[C@@H]1CNC[C@H]1C(F)(F)F 299743772 MBRCWSWSCKQGJL-NXEZZACHSA-N 276.258 1.636 0 50 CDAA NC[C@@H]1C[C@H](F)CN1Cc1noc(C2CCCCC2)n1 328607733 WVVODIGTUCNCRG-RYUDHWBXSA-N 282.363 1.988 0 50 CDAA CC(C)(CNC(=O)[C@H]1CCC(=O)N1)C1=CCCC1 333723890 IRDXKERSYPOPMM-LLVKDONJSA-N 250.342 1.518 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1ccccn1 643877947 FGDIJRPUDVEGJY-ZDUSSCGKSA-N 250.298 1.147 0 50 CDAA O=C(O)CNC(=O)N[C@H](c1ccccc1)c1ccco1 952969932 PIBXLIULMWFIPU-CYBMUJFWSA-N 274.276 1.753 0 50 CDAA CN(C)N1C(=O)O[C@](C)(Cc2ccccc2)[C@]1(C)O 1422375 HUZFNQLSBBOHRW-KGLIPLIRSA-N 264.325 1.625 0 50 CDAA OCCn1cc(CN[C@H]2CCCOc3ccccc32)cn1 2325773850 NJMBJXBMUPWPCL-HNNXBMFYSA-N 287.363 1.879 0 50 CDAA COc1ccc(C)c(C(=O)N2CC[C@H](OCC(=O)O)C2)c1 2325785387 VOSYRWPKQRPDPG-LBPRGKRZSA-N 293.319 1.319 0 50 CDAA COC(C)(C)c1nsc(N(C)[C@@H]2CCC(=O)N(C)C2)n1 895956272 YJDZKHMVPTWOAT-SECBINFHSA-N 298.412 1.477 0 50 CDAA O=C1CCCCC[C@@H]1[C@]1(O)C(=O)Nc2ccccc21 42017 WRDAYOGORAQJTA-NHYWBVRUSA-N 259.305 1.976 0 50 CDAA aggregator CCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1C 246244 GAJSSAJVKXGWLX-UHFFFAOYSA-N 271.338 1.724 0 50 CDAA COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O 338310 KGGUASRIGLRPAX-LBPRGKRZSA-N 278.304 1.476 0 50 CDAA biogenic,in-vitro NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 399520 GDJKEUNPXYLPHG-CQSZACIVSA-N 268.316 1.513 0 50 CDAA COc1ccc(OCC(=O)OCCN(C)C)cc1 1900192 GIVPFOGRJAYKRR-UHFFFAOYSA-N 253.298 1.179 0 50 CDAA CCN(CC)C(=O)c1c[nH]cc1C(=O)N(CC)CC 2519538 KVOUBNHSXOZSFV-UHFFFAOYSA-N 265.357 1.979 0 50 CDAA C[C@H]1CC(=O)c2cnc(NC[C@@H]3CCCO3)nc2C1 4295749 IQLBMSRCTGEYAT-ZJUUUORDSA-N 261.325 1.833 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 4302630 RFPXNHVDZINYSR-VXGBXAGGSA-N 299.392 1.802 0 50 CDAA O=C(NCCCCCCNC(=O)NC1CC1)NC1CC1 4997372 SOFCKOBXNVCSHB-UHFFFAOYSA-N 282.388 1.470 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H](C)[C@@H]1CN 247314680 RPDRENXZEZLVCM-OBJOEFQTSA-N 277.368 1.435 0 50 CDAA O=C(N[C@@H]1[C@H]2CCC[C@H]21)N1CC[C@H](CN2CCCC2)C1 426748032 UHCLLMQBXBXWOW-KBXIAJHMSA-N 277.412 1.912 0 50 CDAA COc1ccccc1-c1ccnc2c1c(=O)n(C)c(=O)n2C 9340800 YPFDDGYCAWPVMR-UHFFFAOYSA-N 297.314 1.308 0 50 CDAA C[C@H](CN1CCOCC1)OC(=O)/C=C/c1ccccc1 20064762 FPGVMGLRILHLKN-HSBSLETESA-N 275.348 1.964 0 50 CDAA COc1cc(NCCn2nnc3ccccc32)ncn1 65381947 ZYARJRPWFJKSQA-UHFFFAOYSA-N 270.296 1.342 0 50 CDAA CN1CCN(Cc2cccc3cccnc23)C[C@H]1CCO 104638304 YIIJCUAWVOISBX-MRXNPFEDSA-N 285.391 1.733 0 50 CDAA CN(CCc1cn[nH]c1)C(=O)CC[C@H]1CCCCN1C 65410254 PHBWJLAXMUGNFB-CQSZACIVSA-N 278.400 1.675 0 50 CDAA C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc(C(C)(C)C)on1 135696892 PHCILBVEJUMSNB-UGZDLDLSSA-N 286.397 1.811 0 50 CDAA C[S@@](=O)c1cccc(NC(=O)NC[C@@H]2CCCO2)c1 118041947 ICKVILJXQURPHV-WLRWDXFRSA-N 282.365 1.725 0 50 CDAA COc1ccc2c(ccn2CCC(=O)NCC(=O)O)c1 20760727 ICVWJUVCAHOLMA-UHFFFAOYSA-N 276.292 1.241 0 50 CDAA biogenic Cc1c(NC(=O)NC[C@@H](CO)C2CC2)cnn1CC(C)C 353281977 MIITUFKJLPNJEX-ZDUSSCGKSA-N 294.399 1.988 0 50 CDAA Cc1nc(CN2CCC[C@H]2c2nc(C(N)=O)no2)cs1 328624574 CNODKLWCTIYHIN-VIFPVBQESA-N 293.352 1.271 0 50 CDAA C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(F)c(F)c1 252446064 LJAXTCQEKDAXIB-NBEYISGCSA-N 269.247 1.863 0 50 CDAA O=C(c1cc2c([nH]1)CCCC2)N1CC[C@H](c2nc[nH]n2)C1 333471802 NTJWBLKEGCAAGG-NSHDSACASA-N 285.351 1.641 0 50 CDAA O=C(c1cc2n(n1)CCCO2)N(CC(F)(F)F)C1CC1 432733059 YYWFFQJPERPHIQ-UHFFFAOYSA-N 289.257 1.833 0 50 CDAA CC(C)n1cnnc1CN(C)C(=O)C(=O)c1ccco1 67540615 JKCHTYRACOZUED-UHFFFAOYSA-N 276.296 1.293 0 50 CDAA CCOCCC(=O)Nc1nnc(CCN(C)C)s1 1506396115 OAQRFWUZMVOGHE-UHFFFAOYSA-N 272.374 1.007 0 50 CDAA CCc1noc(NC(=O)c2cnn3ccn(C)c23)c1C 1506405934 OWNNISVCAZKSGH-UHFFFAOYSA-N 273.296 1.784 0 50 CDAA O=C(OCn1nnc2ccccc2c1=O)c1cccnc1 67144 PJXSSNFDSOFYGC-UHFFFAOYSA-N 282.259 1.001 0 50 CDAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NCCc1cscn1 219597971 YIHCPDYPYICLPG-YPMHNXCESA-N 279.409 1.676 0 50 CDAA Cc1oncc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 331498047 QJUAEEFWOMYMLJ-BFHYXJOUSA-N 266.341 1.345 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(C(F)(F)F)cn2)C1 284388478 AARGZOOWPKMZGW-IUCAKERBSA-N 289.257 1.179 0 50 CDAA Cc1cc(C(=O)NCCCCCCN)ccc1O 235756564 RLGSRLPUCKGLJN-UHFFFAOYSA-N 250.342 1.950 0 50 CDAA CC(C)n1cc(CN2CCCC[C@H]2c2nc(O)n[nH]2)nn1 333742264 WBUUMLKVMLKRIM-NSHDSACASA-N 291.359 1.410 0 50 CDAA Cc1ccn(C)c1C(=O)N1CCC[C@H]1Cn1cncn1 364750246 QVVBVXXIUOZWSA-LBPRGKRZSA-N 273.340 1.230 0 50 CDAA CN1CCN(C(=O)c2ccncc2O)C[C@H]1c1ccccc1 214962476 UOWAKJHHRJEJQS-HNNXBMFYSA-N 297.358 1.916 0 50 CDAA CCCN1C[C@@H](C(=O)N2CCC[C@@H](C)C2)CC1=O 33359484 QDMZJYKDDLDBKS-NEPJUHHUSA-N 252.358 1.503 0 50 CDAA COCCn1cc(NC(=O)c2cccc3ncn(C)c23)cn1 343075231 ZHHXRTOOFJUVMA-UHFFFAOYSA-N 299.334 1.669 0 50 CDAA Cc1nnc([C@@H](C)NC(=O)c2cc(F)ccc2O)o1 219340782 KGDWOGRFASNINW-ZCFIWIBFSA-N 265.244 1.714 0 50 CDAA O=C(CC[C@@H]1CCNC1)NCCc1ccc2c(c1)CCO2 261884974 SFGJARVWBWOWFW-CQSZACIVSA-N 288.391 1.670 0 50 CDAA COCCn1ccnc1CN(C)[C@@H](C)c1ccncn1 216042331 BUMNIWIYHHIVTN-LBPRGKRZSA-N 275.356 1.513 0 50 CDAA C[C@@H]1CNC(=O)CCN1Cc1ccc(-c2ccn[nH]2)s1 215927205 UCFAMGCBHFZRCQ-SNVBAGLBSA-N 290.392 1.849 0 50 CDAA Cc1nc(N)ncc1C(=O)N(C)CCN(C)C1CCCC1 71762119 WQNSDTQSTCKQOT-UHFFFAOYSA-N 291.399 1.314 0 50 CDAA C[C@H](NC(=O)c1cccnc1O)c1cn2ncsc2n1 218896293 SEEHWRDLWPNBBQ-ZETCQYMHSA-N 289.320 1.382 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc3c(c2)N(C)CCO3)CCO1 376430559 XDURAECNTLTJIV-LLVKDONJSA-N 276.336 1.376 0 50 CDAA CSc1ccccc1C(=O)N[C@H](C)c1nc(=O)[nH][nH]1 215873738 RYEKZMHYQLIHOP-SSDOTTSWSA-N 278.337 1.311 0 50 CDAA Cc1ccc(NC(=O)N2CCS(=O)CC2)s1 175836417 ZVNBDISNROMIIJ-UHFFFAOYSA-N 258.368 1.653 0 50 CDAA C[C@H](CN1CCCCC1)C(=O)NC1(C(=O)O)CCC1 426662020 ACTGLTFEIQKVLX-LLVKDONJSA-N 268.357 1.232 0 50 CDAA Cc1nccn1CCC(=O)N[C@@H](CC(=O)O)C(C)C 223844001 QAIQIVSMZCDPCW-NSHDSACASA-N 267.329 1.197 0 50 CDAA CC(C)CN(CCO)C(=O)NCc1ccc(O)cc1 426678184 UKMKJAGNOCEHKS-UHFFFAOYSA-N 266.341 1.552 0 50 CDAA CCn1ncnc1CCS(=O)(=O)c1ccccc1 91943493 NFTWHYJDMSYGOD-UHFFFAOYSA-N 265.338 1.314 0 50 CDAA CCc1n[nH]c(C(=O)N2CC(C)(C)[C@@](C)(O)C2)c1C 91793765 WGHISCHJLUSTRE-AWEZNQCLSA-N 265.357 1.514 0 50 CDAA CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C2)C1)N1CCOCC1 335961264 LRJUDUPRBCXYPP-KBPBESRZSA-N 280.412 1.746 0 50 CDAA CCc1nnc(N2CCN(C3Cc4ccccc4C3)CC2)o1 95359441 AQCJQRRNXVKIGY-UHFFFAOYSA-N 298.390 1.921 0 50 CDAA Cc1cc(NC(=O)[C@H](C)N(C)Cc2noc(C)n2)on1 181693801 BIXSEKGWPCVLTB-QMMMGPOBSA-N 279.300 1.133 0 50 CDAA c1cc(-n2cnnc2)ncc1-c1nc([C@H]2CCOC2)no1 96141599 LZSPBFZMTKWUDM-JTQLQIEISA-N 284.279 1.216 0 50 CDAA Cn1cc(C(=O)N[C@H]2CCCOCC2)c(C(F)F)n1 538434556 MHUSMZGZCADANS-QMMMGPOBSA-N 273.283 1.657 0 50 CDAA C[C@H](Cn1cncn1)NC(=O)Nc1cc(C2CC2)nn1C 96152678 FVGYMRGFMKBYKQ-SECBINFHSA-N 289.343 1.099 0 50 CDAA CC(C)(C)OC(=O)NCC1(CN)CC(F)(F)C1 95743151 JYPHQTHNCQRXCW-UHFFFAOYSA-N 250.289 1.885 0 50 CDAA O=C(C[C@H]1COCCN1)N1CCC[C@H]1c1ccccc1 97815494 QJBVKOUKYUFYLF-GJZGRUSLSA-N 274.364 1.729 0 50 CDAA CN(Cc1cnn(CCC(=O)O)c1)CC1CCOCC1 97568764 JRHKWEKWUSEJEO-UHFFFAOYSA-N 281.356 1.216 0 50 CDAA Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H]2CCNC2)s1 237408804 YLUQNJSLWWOFFQ-MWLCHTKSSA-N 267.398 1.889 0 50 CDAA CCc1nc(CN2CCN(c3nc[nH]n3)CC2)cs1 244873245 WMLBDPUIDVDALK-UHFFFAOYSA-N 278.385 1.146 0 50 CDAA Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2COCCN2)C1 269222203 OKQAILGFMDASML-SQWLQELKSA-N 288.391 1.688 0 50 CDAA COCCN1C[C@@H](Cc2ncccc2F)CC1=O 252478827 AVPUNOOWNWLCDR-JTQLQIEISA-N 252.289 1.258 0 50 CDAA C[C@H](CC(=O)N1CC[C@@H](C(=O)O)C1)c1ccncc1 299742810 KORVFASIINABCF-ZYHUDNBSSA-N 262.309 1.508 0 50 CDAA O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CCCOC1 184574141 YVUKOZSHVMZTDG-SECBINFHSA-N 250.302 1.437 0 50 CDAA CC(C)n1ccnc1CNC(=O)c1cc2ncccn2n1 534637726 FOKWHGJIVKEUEO-UHFFFAOYSA-N 284.323 1.437 0 50 CDAA O=C(CCc1cccnc1)N[C@@H]1CCc2c[nH]nc2C1 532087605 XFHOFUXPLNPYHV-CYBMUJFWSA-N 270.336 1.411 0 50 CDAA CN(C)C(=O)c1ccc(CNC(=O)[C@H]2CC=CCC2)o1 534675280 QIOUHVUMEYEDGP-NSHDSACASA-N 276.336 1.954 0 50 CDAA CN(C)c1cccc(C(=O)N2CCc3n[nH]c(=O)cc3C2)c1 263618809 VQYJVCSQEQGMRQ-UHFFFAOYSA-N 298.346 1.034 0 50 CDAA CN1CCN(C(=O)NCCOCc2ccccc2)CC1 267002684 DGDLQEPIUYLRNY-UHFFFAOYSA-N 277.368 1.160 0 50 CDAA Cc1ncsc1CN[C@H](C)C[C@H]1CCCC(=O)N1 630060933 SVARSVAATATNOX-MWLCHTKSSA-N 267.398 1.988 0 50 CDAA O=C(CCc1cc(Cl)no1)NCc1nc(C2CC2)no1 534576674 GDMKJFOOBRYVHK-UHFFFAOYSA-N 296.714 1.837 0 50 CDAA COC(=O)CC[C@@H]1Nc2nc(Cl)ccc2NC1=O 261507403 ICFZETOOUNWSOC-ZETCQYMHSA-N 269.688 1.421 0 50 CDAA Cc1nccc(C2CCN(C(=O)CN3CCCC3)CC2)n1 299773195 DAZBFFDRMCBGRQ-UHFFFAOYSA-N 288.395 1.587 0 50 CDAA Cc1cncc(C(=O)NCCCN2CCCC[C@@H]2CO)c1 584888633 HEVRNJHQVQDCSX-OAHLLOKOSA-N 291.395 1.357 0 50 CDAA C[C@@H]1CCCC[C@H]1N(C)C(=O)/C=C/CN1CCOCC1 864773233 JXCHXBUYSFVLNY-VZLFFANISA-N 280.412 1.912 0 50 CDAA CCS(=O)(=O)NCCCc1nc2ccc(F)cc2[nH]1 586942273 IQMXDPKOGZSUBY-UHFFFAOYSA-N 285.344 1.574 0 50 CDAA CN(C)C[C@H]1COCCN(Cc2cnccc2Cl)C1 670466616 HQJDIKGIVRCMIQ-GFCCVEGCSA-N 283.803 1.745 0 50 CDAA CCOc1ccnc(N2CC[C@H](C(C)(C)O)C2)n1 670452026 NEOXJVVURDIIBH-JTQLQIEISA-N 251.330 1.473 0 50 CDAA CC(C)(C(=O)NCCCN1CCC[C@H](O)C1)n1cccc1 670467086 NIGOFMMDXGJMJU-AWEZNQCLSA-N 293.411 1.186 0 50 CDAA Cc1noc2ncn(Cc3noc4c3CCCC4)c(=O)c12 631018997 YIHVXZRDCUEZGO-UHFFFAOYSA-N 286.291 1.608 0 50 CDAA NS(=O)(=O)c1ccccc1N1CC[C@H]([C@@H]2CCOC2)C1 631176571 AZXHSFONSBOGMH-NWDGAFQWSA-N 296.392 1.197 0 50 CDAA CC(C)(O)C(C)(C)OB(O)C1=CCC2(CC1)OCCO2 169879387 PIDLANSXNRKLQG-UHFFFAOYSA-N 284.161 1.426 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CC[C@H](CCCO)C2)CC1 1875369461 PMUIVFPFPKQHPL-ZDUSSCGKSA-N 294.395 1.032 0 50 CDAA O=C1Cc2cc(OC[C@H]3C[N@]3C3CCC3)ccc2CCN1 1875381454 VTCQVLCRGFMRQE-DNVCBOLYSA-N 286.375 1.517 0 50 CDAA CS(=O)(=O)NC(=O)c1cc(C2CC2)nc2ccccc12 1875391293 CYSKBQPJEVJMJY-UHFFFAOYSA-N 290.344 1.802 0 50 CDAA Cc1ccnc(Nc2cccc(S(=O)(=O)N(C)C)c2)n1 1875322032 GBHUWCGFHQMYJY-UHFFFAOYSA-N 292.364 1.779 0 50 CDAA CN(C)C/C=C/C(=O)NCc1c[nH]nc1-c1ccccc1 1875377142 UECPLMVTAVQDLV-RMKNXTFCSA-N 284.363 1.811 0 50 CDAA Cc1nccn1CC(=O)N[C@H]1CCC[C@H]1Oc1cn[nH]c1 952849198 RQRSQEYHLNEACS-QWHCGFSZSA-N 289.339 1.031 0 50 CDAA CC[C@@](C)(OC)C(=O)NCc1cncc(C(=O)OC)c1 1875275558 RRUAQTCKRIDRKZ-CQSZACIVSA-N 280.324 1.300 0 50 CDAA CO[C@@H]1Cc2ccc(N[C@H]3C[C@@H](C)OC3=O)cc2C1 1875259194 LIXNTZWVKOTDCH-FZQKWOKYSA-N 261.321 1.916 0 50 CDAA N=c1[nH]ccc(=NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)[nH]1 1875275821 UXMFLZXAJPBMEL-SWLSCSKDSA-N 288.326 1.028 0 50 CDAA CC[C@H](C(=O)NC/C=C/C(=O)OC)c1c(C)noc1C 1875273364 SGZWZGRWFLYNSB-MLRMMBSGSA-N 280.324 1.630 0 50 CDAA CC1(C)C[C@@H](CO)N(C(=O)c2cc3cccnc3[nH]2)C1 1875298686 KFAXIWYLKKSFFP-NSHDSACASA-N 273.336 1.796 0 50 CDAA COc1ccc(CNCCN2CCC[C@@H](CO)C2)cc1O 952962945 GQPBOAIAZUTZHL-CQSZACIVSA-N 294.395 1.195 0 50 CDAA O=C(O)CCN1CCC[C@H](CNC(=O)C2CCCC2)C1 952986113 YMRJZZPAIFNPDR-GFCCVEGCSA-N 282.384 1.480 0 50 CDAA Cc1cc(C)cc(CS(=O)(=O)N[C@@]23COC[C@@H]2C3)c1 885491881 FKOCSDYJVLOQPT-KBPBESRZSA-N 281.377 1.512 0 50 CDAA O=C(NCC1(C2(O)CCC2)CC1)[C@H]1CCCc2nn[nH]c21 887534720 XEANOBMKLUYYJM-JTQLQIEISA-N 290.367 1.036 0 50 CDAA CCn1c(O)nnc1C1CCN(c2nccs2)CC1 893847897 HKDLLHQNQMOIEL-UHFFFAOYSA-N 279.369 1.844 0 50 CDAA CC(C)Cc1cc(N[C@H]2CC[C@@H](O)[C@@H](O)C2)ncn1 896968693 DUSVKJLOOZGUBQ-UHTWSYAYSA-N 265.357 1.361 0 50 CDAA N[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)CC12CCC2 1775960900 XPFVTWMTBVNWAS-CYBMUJFWSA-N 270.336 1.516 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)[C@@H]1NCCOc2ccccc21 1775960779 DIDVDWIWNKMVIQ-CQSZACIVSA-N 286.335 1.091 0 50 CDAA Cc1[nH]nc(C(=O)N(C)Cc2ccns2)c1O 898617608 GRWPPNRRTJWINK-UHFFFAOYSA-N 252.299 1.152 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccc(Cl)cn1 1565506143 ADLJJTFHLVNJKX-ONGXEEELSA-N 270.716 1.269 0 50 CDAA Cc1nc2ccc(C(=O)N[C@H]3CC=CC[C@@H]3C(N)=O)cc2o1 1565515151 VOKZXIIDSUXKNE-RYUDHWBXSA-N 299.330 1.686 0 50 CDAA COc1ccc(Cl)cc1NC(=O)N[C@H]1CNCC[C@@H]1O 1565528610 RWCISFJPLJCOKE-QWRGUYRKSA-N 299.758 1.193 0 50 CDAA CN(C[C@@H](O)c1cccnc1)C(=O)c1ccc(O)cc1F 1364425522 RBRIPKIXBUUUJZ-CQSZACIVSA-N 290.294 1.732 0 50 CDAA C[C@H](Cc1ccno1)NCCn1cc(Br)cn1 1434528072 HRBLDXRTGIBQNN-SECBINFHSA-N 299.172 1.854 0 50 CDAA Cc1cc(C)n(C2CN(C[C@H]3CCCN(C)C3)C2)n1 1506426381 OJIHBABFWQMYCP-AWEZNQCLSA-N 262.401 1.698 0 50 CDAA CS(=O)(=O)[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 274012273 CHELHNBYPINNMV-SECBINFHSA-N 292.763 1.888 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(CO)o1 275702800 XUMHMHAUUHEKKV-KBPBESRZSA-N 291.351 1.608 0 50 CDAA CCOCCN(C)C(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1 275877853 KSYQVAUIZSPWEX-UONOGXRCSA-N 295.383 1.476 0 50 CDAA CCOC(=O)c1c(OCc2ccccc2)c(=O)ccn1N 1592053688 MHZYNARBCAZWSZ-UHFFFAOYSA-N 288.303 1.318 0 50 CDAA COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1ncon1)CC2 277880606 GJQPRWSEWCUERN-LBPRGKRZSA-N 287.319 1.767 0 50 CDAA CNC(=O)Cn1cc(NC[C@@H]2CC2(Cl)Cl)cn1 585117473 FLLYRXJEHANPSO-ZETCQYMHSA-N 277.155 1.235 0 50 CDAA C[C@H]1CC(=O)C[C@H](C2CC2)N1C(=O)[C@H]1CCCO1 585125001 CQCBUBCTOLURNU-ZWKOPEQDSA-N 251.326 1.524 0 50 CDAA Cc1cc(=O)c(OCC(=O)N2C[C@@H](C)C[C@H](C)C2)co1 190068322 WRVMDCDUGNWNHE-QWRGUYRKSA-N 279.336 1.832 0 50 CDAA CC(C)n1cc(NC(=O)c2n[nH]c3c2CCC3)cn1 556027475 SJCIYPKTCGUPEZ-UHFFFAOYSA-N 259.313 1.928 0 50 CDAA Cc1cccnc1N1C(=O)[C@H]2C[C@H](C)CCN2C1=O 225453958 JVNZLWYFXYOFPT-MWLCHTKSSA-N 259.309 1.957 0 50 CDAA Cc1cccc(C(=O)NCCC(=O)O)c1Br 190593352 YQEXZRRAIMEZAQ-UHFFFAOYSA-N 286.125 1.962 0 50 CDAA Cc1ccnc(N2C(=O)[C@H]3C[C@@H](C)CCN3C2=O)c1 225558885 OBQLGIKDDQTGCM-WDEREUQCSA-N 259.309 1.957 0 50 CDAA CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)N(C)C(C)C 190669627 XSIBIFLKIAMXFD-QWRGUYRKSA-N 287.429 1.736 0 50 CDAA CCCN(C)C[C@@H]1CCN(C(=O)CCc2ccncn2)C1 191268005 QMKHZNDPTAHMHH-AWEZNQCLSA-N 290.411 1.600 0 50 CDAA CC1(C)CN(C(=O)c2ccc(C(=O)O)cn2)C(C)(C)CO1 649455111 CUOGYJDYKHSECP-UHFFFAOYSA-N 292.335 1.809 0 50 CDAA CN(CCOc1coc(CO)cc1=O)c1ccccc1 194652502 LLRFZKSFGFMLSS-UHFFFAOYSA-N 275.304 1.647 0 50 CDAA COC[C@@H]1CN(Cc2ccccc2C(=O)O)C[C@H](C)O1 565105866 PWGJKPMLNFGKRH-AAEUAGOBSA-N 279.336 1.621 0 50 CDAA Cc1ccccc1[C@@H]1C(=O)NCCN1CCOCC(F)F 195577388 ZQJHHHAMMDSYFD-CQSZACIVSA-N 298.333 1.750 0 50 CDAA CCCc1nc(C(N)=O)nn1Cc1ccc(F)cc1C 576331573 FCZHRJVWFDFDHK-UHFFFAOYSA-N 276.315 1.825 0 50 CDAA Cc1c(NC(=O)CCCN2CCCC2=O)cnn1C 1529172314 FGUOJXWZJGCJDZ-UHFFFAOYSA-N 264.329 1.070 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1/C=C/c1ccccc1 306082 BUBDVBJYVPMWEM-BCPZQOPPSA-N 272.304 1.828 0 50 CDAA biogenic Cc1c(C(=O)N2CC(c3ccncc3)C2)ccn1C 1857691373 INHQGJPFBAMNIR-UHFFFAOYSA-N 255.321 1.968 0 50 CDAA OC[C@H]1CCN(CCCCOc2ccccc2)C[C@H]1O 1857723896 BHRHJHHXFIPBGA-GDBMZVCRSA-N 279.380 1.521 0 50 CDAA CC1=CC[C@H]2C(=O)N(CCCC(=O)O)C(=O)[C@H]2C1 4855617 IPIMQTPPZRFVLP-ZJUUUORDSA-N 251.282 1.193 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)CCc2ccsc2)C1 237949222 USQMMDLBYYHCOY-SNVBAGLBSA-N 253.323 1.614 0 50 CDAA CC(C)[C@@]1(O)CN(C(=O)Cc2cscn2)C[C@@H]1C 248198996 SWQLQAPXUBGRTQ-GWCFXTLKSA-N 268.382 1.551 0 50 CDAA N=c1ncc(-c2ccnn2-c2ccc(F)cc2)c[nH]1 1875339498 MIKSMQKPBHBANT-UHFFFAOYSA-N 255.256 1.881 0 50 CDAA C/C=C/C[C@@H](CO)NC1CCN([C@@H]2CCOC2)CC1 1615055976 WRSPHRZEUDJINT-MQQKUOPWSA-N 268.401 1.156 0 50 CDAA CCOCCC1(C(=O)N2C[C@H](O)C3(CC3)C2)CCCC1 372368587 RPAZADSXQLPRHR-ZDUSSCGKSA-N 281.396 1.957 0 50 CDAA OC[C@H]1CCN(CCOc2ccc(Cl)cc2)C[C@H]1O 583971293 BTWVNJRVNWLJLW-BXUZGUMPSA-N 285.771 1.394 0 50 CDAA c1ccc2c(c1)CCc1nnc(CCn3cccn3)n1-2 1772806255 AJLKUISNZDBHCA-UHFFFAOYSA-N 265.320 1.805 0 50 CDAA Cc1cnc(N2C[C@H]3CCCN3C(=O)[C@H]2C)nc1N(C)C 1772702405 RWOYVYLCSWXAPG-VXGBXAGGSA-N 289.383 1.051 0 50 CDAA CN1CC[C@@H]2CN(c3ncc(Cl)cc3F)C[C@@H]2C1=O 1772808187 IFQRZRCJZMCJRZ-SCZZXKLOSA-N 283.734 1.789 0 50 CDAA Cn1ccc(CC(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)c1 11813346 YSVIWMRNICKDEZ-CYBMUJFWSA-N 291.395 1.331 0 50 CDAA Cc1ccnc(NC(=O)c2cccc(-n3cnnn3)c2)c1 12321832 GIZMZZBIJBWNKY-UHFFFAOYSA-N 280.291 1.618 0 50 CDAA Cc1cc(C(=O)Nc2nnc(C3CC3)s2)no1 13329636 JVQKXOFVOKCTCV-UHFFFAOYSA-N 250.283 1.964 0 50 CDAA O=C(Cc1ccccc1)N1CCN(c2ccccn2)CC1 18122428 IDAKKENHMORASC-UHFFFAOYSA-N 281.359 1.973 0 50 CDAA CCn1ncc2[nH]c(-c3nn(C)cc3Cl)nc21 19227726 ZCCYLPJPOKRWGN-UHFFFAOYSA-N 250.693 1.833 0 50 CDAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cnco1 222994931 XFOLINPJPBFDNR-XQQFMLRXSA-N 287.319 1.182 0 50 CDAA Cc1nc(-c2cc(C3CC3)n(C)n2)n([C@@H]2CCOC2)n1 1857671848 SYEHBRRHEPLTHT-LLVKDONJSA-N 273.340 1.826 0 50 CDAA Oc1n[nH]c(Cn2ccnc2-c2nc3ccccc3[nH]2)n1 1857674659 RXDQILWSQVODOI-UHFFFAOYSA-N 281.279 1.298 0 50 CDAA CCCc1nc(CN(C)C[C@@H]2CCC(=O)N(C)C2)no1 1857685862 YBAUFRKKIQUKEK-NSHDSACASA-N 280.372 1.322 0 50 CDAA O=C(O)c1ccc(I)c(O)c1 161925 UABBBWVTEWIIMN-UHFFFAOYSA-N 264.018 1.695 0 50 CDAA in-vitro CC[C@@H]1OCCC[C@@H]1C(=O)NCc1ncnn1C(C)(C)C 408469780 QPRGHIOAEVENJM-RYUDHWBXSA-N 294.399 1.855 0 50 CDAA O=C(O)c1cccc2c1CN(C(=O)[C@@H]1CCCOC1)CC2 649258201 LDTNAIQZMNJKBO-GFCCVEGCSA-N 289.331 1.696 0 50 CDAA C[C@@H](C(=O)O)[C@@H](NC(=O)Cn1cccn1)c1ccccc1 237665810 PCKYGIRIZFFEPN-BXUZGUMPSA-N 287.319 1.461 0 50 CDAA COCC[C@H](NC(=O)N[C@@H]1CCCCNC1=O)C(C)(C)C 241466019 NTYYCFXJJGFSAY-NEPJUHHUSA-N 299.415 1.406 0 50 CDAA C[S@](=O)Cc1ccccc1NC(=O)c1ncccc1O 153776797 AFQWWJPMNGKRPM-HXUWFJFHSA-N 290.344 1.918 0 50 CDAA C[C@@H](C(=O)O)N1CCc2c(cnn2-c2ccccc2)C1 262211145 IVWJKCNVZZRMSV-NSHDSACASA-N 271.320 1.704 0 50 CDAA CCc1ccccc1CN1C[C@H]2COC[C@@H](C1)C(=O)N2 1704335758 GCWADKVHVIKVSG-CABCVRRESA-N 274.364 1.196 0 50 CDAA C[C@@H](NC(=O)c1cc(-c2cccnc2)nn1C)C(F)F 906132862 DTQAOERTUATTEU-MRVPVSSYSA-N 280.278 1.866 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(CC)[C@H]1CCOC(C)(C)C1 908256727 GWCKKZJJRWAQSZ-ZDUSSCGKSA-N 296.411 1.827 0 50 CDAA Cc1cccc([C@@H](NC(=O)[C@H](O)C(C)C)C(=O)O)c1C 909797192 SDEXAGDHFFZXJT-CHWSQXEVSA-N 279.336 1.562 0 50 CDAA CCN(CC)C[C@H](O)COc1ccc2c(c1)OCO2 4477665 LQHAKJFBKRVIHB-NSHDSACASA-N 267.325 1.497 0 50 CDAA CCC[C@@H](N)c1cn(Cc2csc(C)n2)nn1 229962719 XJRPICSYEHJYPT-SNVBAGLBSA-N 251.359 1.891 0 50 CDAA CN(C(=O)OC(C)(C)C)[C@@H]1CCNCC1(F)F 238300785 YXSZEBBBLBXKAN-MRVPVSSYSA-N 250.289 1.851 0 50 CDAA CCC(N)(CC)CNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 130051514 KPDXNTGDERSZJA-RYUDHWBXSA-N 291.461 1.316 0 50 CDAA O=C(O)C1(C(=O)N2CCC[C@H](c3nccs3)C2)CC1 154896331 VGHXCXOVAZJFAG-VIFPVBQESA-N 280.349 1.714 0 50 CDAA CCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)s1 186415539 QMLVGVICHSYACB-RKDXNWHRSA-N 269.370 1.608 0 50 CDAA CN1CCC[C@@H](CCNC(=O)CC2=CCNCC2)C1 67758926 XCSBUFVTWQSZMT-AWEZNQCLSA-N 265.401 1.144 0 50 CDAA NCCc1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1 401986897 DQLUJDZUHWLOSS-CQSZACIVSA-N 276.380 1.734 0 50 CDAA CC(C)c1nnc(CN2CC[C@@H](O)[C@@H](C)C2)s1 528462957 DXEFMUAVCCQFIK-VHSXEESVSA-N 255.387 1.864 0 50 CDAA O=C(NCc1csc2c1CCCC2)[C@H]1C=CCN1 534642931 GXJJDMDJLVQPTJ-GFCCVEGCSA-N 262.378 1.771 0 50 CDAA O=C1CC2(CCCC2)CC(=O)N1Cc1cncnc1 95498869 SJKRKEBHBLZYNX-UHFFFAOYSA-N 259.309 1.686 0 50 CDAA Cc1nn(C)c(C)c1CN(C)CC[C@H]1CCS(=O)(=O)C1 670460141 RPQNODNHNZPMEQ-ZDUSSCGKSA-N 299.440 1.294 0 50 CDAA CCC[C@]1(NC(=O)c2occc2C(=O)O)CCOC1 378835708 VESHYMSRBORFFZ-ZDUSSCGKSA-N 267.281 1.667 0 50 CDAA CCc1nnc(C)cc1C(=O)N[C@H]1CC12CCNCC2 389767491 AXMBECKCPSRDIS-ZDUSSCGKSA-N 274.368 1.219 0 50 CDAA Cc1cc(CNC(=O)[C@@]23CCCC[C@@H]2NCC3)no1 912438577 PCOGBRNWVZNWIX-GXTWGEPZSA-N 263.341 1.522 0 50 CDAA COc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1 51125 YQROPQDFTGFDOY-UHFFFAOYSA-N 274.280 1.835 0 50 CDAA C[C@@]1(CCc2ccccc2)OC(=O)N(CCO)[C@@]1(C)O 117339 GAIQAKANDCYZFW-GJZGRUSLSA-N 279.336 1.531 0 50 CDAA O=C(Nc1ncc2c(n1)CCC2)[C@H]1COc2ccccc2O1 2100482610 LRXZSYJUBDYYAM-CQSZACIVSA-N 297.314 1.744 0 50 CDAA Cc1ccc(-c2noc(=NCCO[C@H]3CCNC3)[nH]2)cc1 2325787112 BUYSGLSMUARWDO-ZDUSSCGKSA-N 288.351 1.257 0 50 CDAA C[C@H]1CCCn2c(C(=O)NC[C@H]3CCC[C@H]3O)cnc21 2325798702 RKRFVSUGRRRSSW-DMDPSCGWSA-N 277.368 1.671 0 50 CDAA O=C1O[C@@]2(O)c3ccccc3C(=O)N2c2ccccc21 100939 WIBNFFCZZQJGET-HNNXBMFYSA-N 267.240 1.620 0 50 CDAA biogenic CNC(=O)COc1ccccc1C(=O)Nc1cccnc1 235514 GMUMXESHYOEIFG-UHFFFAOYSA-N 285.303 1.459 0 50 CDAA O=C(Nc1nccs1)[C@H]1CC=CC[C@H]1C(=O)O 373234 TTYCDMFAARNYKZ-JGVFFNPUSA-N 252.295 1.749 0 50 CDAA CCOc1ccc(/C=C/C(=O)NCCOC)cc1OC 1777565 VSBKUIWGAJURLG-SOFGYWHQSA-N 279.336 1.870 0 50 CDAA N=c1[nH]c2ncnc-2c(NCc2cccc3ncsc23)[nH]1 2356142094 DBKOMVSGSILOMA-UHFFFAOYSA-N 297.347 1.939 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2c2nnc(-c3ccncc3)n21 2356144054 HRVZBZGSKMZCGV-ONGXEEELSA-N 269.308 1.578 0 50 CDAA CCn1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)cn1 2804465 DYBPAHZCACHXGK-NSHDSACASA-N 279.365 1.943 0 50 CDAA CS(=O)(=O)N1CCC(Cc2ccccc2)CC1 2871096 XDRPHPUMBKGZKY-UHFFFAOYSA-N 253.367 1.901 0 50 CDAA OCCNCCOCCOc1cccc2ccccc12 2980675 KFDVXAWXEOAZTM-UHFFFAOYSA-N 275.348 1.817 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csnn1 250775757 PFXMTTKJFYMONI-SFGNSQDASA-N 281.337 1.396 0 50 CDAA CCOC(=O)[C@@H](CC)Sc1nnc2nc(O)cc(C)n12 4249985 AXADXPQWTDSEEY-MRVPVSSYSA-N 296.352 1.572 0 50 CDAA CCn1c(C)c(C(C)=O)c(N2CCN(C)CC2)nc1=S 4270486 CZFDYWWVLAEWGV-UHFFFAOYSA-N 294.424 1.895 0 50 CDAA COC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 6697995 SPRGBXNKRUHQAC-STQMWFEESA-N 290.363 1.499 0 50 CDAA COc1ccc(Cl)cc1NC(=O)CCn1cncn1 7616334 YBQJDXFNACKPCE-UHFFFAOYSA-N 280.715 1.969 0 50 CDAA COCCNC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 9197810 QPFROXIENKYMAD-CYBMUJFWSA-N 290.363 1.419 0 50 CDAA Cc1nn(C)cc1CN1CCN(CC(C)C)[C@@H](CCO)C1 20996473 VKIZFUQOLCLIOO-INIZCTEOSA-N 294.443 1.253 0 50 CDAA Cc1n[nH]c(=O)n2c(-c3ccc(Cl)cc3)nnc12 170622321 SPYIPHNYFQKYCO-UHFFFAOYSA-N 261.672 1.441 0 50 CDAA Cn1cc(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cn1 248607450 VOQIGSSYINBHJH-UPJWGTAASA-N 291.351 1.207 0 50 CDAA ON1[C@H](c2ccccc2)C[C@]2(O)c3nonc3CC[C@@H]12 104125159 WLHHCRHOUSLOPF-OUCADQQQSA-N 273.292 1.408 0 50 CDAA COC1([C@@H](C)NC(=O)[C@H](C)CSC)CCOCC1 421754530 DPCZJCOQUZSWGO-GHMZBOCLSA-N 275.414 1.686 0 50 CDAA O=c1[nH]nc(CCCO)n1-c1cccc(Cl)c1 65434460 SFUNGOGPBOVZQF-UHFFFAOYSA-N 253.689 1.139 0 50 CDAA C[C@@H](C(=O)N(C)C)N(C)Cc1cnc(-c2ccccn2)nc1 67919744 TYNWZECSHIOYOA-LBPRGKRZSA-N 299.378 1.447 0 50 CDAA CCN(Cc1ccccn1)Cc1cc(=O)n2nccc2[nH]1 119893525 MDKBIQDMBJTGIU-UHFFFAOYSA-N 283.335 1.440 0 50 CDAA Cc1cnc(NCCN2CCCC[C@@H]2CO)nc1N(C)C 65380950 UGUMOVCIQJFIQG-CYBMUJFWSA-N 293.415 1.110 0 50 CDAA Cc1cc(C)n([C@H](C)C(=O)N2CC(=O)N(CC3CC3)C2)n1 333329095 QQHPYDLCMSQVKE-GFCCVEGCSA-N 290.367 1.099 0 50 CDAA CC(C)(C)c1ccccc1S(=O)(=O)NCCN 122468124 SZSSYNXUWVAGSI-UHFFFAOYSA-N 256.371 1.221 0 50 CDAA Cc1ncsc1C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328631268 QSQOANHRWZMGKW-SNVBAGLBSA-N 291.380 1.304 0 50 CDAA CC(C)N1CCC(N[C@H]2CCO[C@@H]2c2nccn2C)CC1 328631939 KZIAZKXWIHRLJQ-GJZGRUSLSA-N 292.427 1.713 0 50 CDAA CN(CC1CC1)C[C@H]1CN(C(=O)C2=COCCC2)CCO1 328631350 KJULDNVAMZSNCA-HNNXBMFYSA-N 294.395 1.250 0 50 CDAA CNC(=O)c1cccc(CNc2cc(OC)ncn2)c1 65528045 GKSVACKKDCZUCX-UHFFFAOYSA-N 272.308 1.457 0 50 CDAA Cc1c(CCO)c(=O)n(C)n1C(=O)c1ccc(Cl)cc1 1393684 FMGHNMUHZWULKH-UHFFFAOYSA-N 294.738 1.372 0 50 CDAA c1n[nH]cc1CCSc1nnnn1C1CCCC1 253426080 NEOXXVHKDPGLOH-UHFFFAOYSA-N 264.358 1.846 0 50 CDAA Cc1o[nH]c(=N)c1S(=O)(=O)N1CC2(CCC2)[C@H]1C(C)C 330219998 PWTMWARLZBIFFF-LLVKDONJSA-N 299.396 1.595 0 50 CDAA Cc1nc(CN(C)Cc2ccc(N(C)C)nc2)no1 215820141 CGYSJTGHCXJDKS-UHFFFAOYSA-N 261.329 1.471 0 50 CDAA COCc1noc(CN2C[C@@H](CO)Cc3ccccc32)n1 366417476 LSOYLEFNRHWRRH-NSHDSACASA-N 289.335 1.387 0 50 CDAA CCc1onc(C)c1NC(=O)[C@@H]1C[C@H](OC)CN1C 330561123 IYSJOIFBAPUONL-UWVGGRQHSA-N 267.329 1.203 0 50 CDAA COc1ccc(F)cc1C(=O)N1CC[C@H](OC)C1 219063720 JASWZAOROMCKMQ-JTQLQIEISA-N 253.273 1.695 0 50 CDAA CCc1[nH]nc(NS(=O)(=O)c2c(C)nn(C)c2C)c1C 331249516 ODWFXFCTLGKONR-UHFFFAOYSA-N 297.384 1.432 0 50 CDAA CC(C)(C)c1nc(=NC(=O)N2CCC[C@H](O)CC2)s[nH]1 331469354 NZKNSEIGXLPVMQ-VIFPVBQESA-N 298.412 1.636 0 50 CDAA O=C(O)[C@H]1CNc2ccc(Br)cc2O1 211953565 IYIWTEQSTLVPSJ-MRVPVSSYSA-N 258.071 1.707 0 50 CDAA O=C(c1ccccc1)N1CCC(C(=O)O)(n2cccn2)CC1 72424386 OBWOHLQGDKXYFV-UHFFFAOYSA-N 299.330 1.599 0 50 CDAA CC(=O)NCCNCc1nc(Cc2ccccc2F)no1 71767685 FDALTLGGYILAHY-UHFFFAOYSA-N 292.314 1.025 0 50 CDAA Cc1n[nH]cc1CN1CC[C@]2(C1)C(=O)Nc1ccccc12 368785927 WLKBQOAAPFOKIB-MRXNPFEDSA-N 282.347 1.814 0 50 CDAA Cc1ccn(CC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n1 334660085 FRTYNFIEXLOBSD-LLVKDONJSA-N 265.357 1.654 0 50 CDAA CO[C@H]1CN(c2ncnc3c2CCCC3)C[C@H]1OC 372852725 VJYSZSUVYSIQAR-BETUJISGSA-N 263.341 1.205 0 50 CDAA COC[C@H](N)C(=O)Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1 262188857 LTGTTYSJVWNRHU-NAKRPEOUSA-N 278.356 1.226 0 50 CDAA O=C(Cc1ccc(F)cc1)NC1(C(=O)O)CCSCC1 262111155 HUJDVJMJSBMWQS-UHFFFAOYSA-N 297.351 1.835 0 50 CDAA CO[C@@]1(CNC(=O)c2ccc(C(F)(F)F)[nH]2)CCOC1 450635571 KVQPVQQPAFUKEO-LLVKDONJSA-N 292.257 1.569 0 50 CDAA C[C@H]1CCO[C@H]1C(=O)NCCc1cn2c(n1)CCCC2 157655816 SWJMXVFADGGJEQ-SMDDNHRTSA-N 277.368 1.303 0 50 CDAA Cc1cccc2nc(C(=O)N[C@H]3CC[C@H]3N)c(F)n12 72129148 CQUSHAOMATUMOV-BDAKNGLRSA-N 262.288 1.001 0 50 CDAA O=C(N=c1cccn[nH]1)N1CCC2(CCOCC2)CC1 375442207 BFEFDFVKMKKIPK-UHFFFAOYSA-N 276.340 1.323 0 50 CDAA Cc1nnc(CN2C(=O)N[C@](C)(c3ccsc3)C2=O)o1 130672212 ZLJWLAPZQSOWMT-GFCCVEGCSA-N 292.320 1.407 0 50 CDAA O=C(NCCSc1cn[nH]n1)c1n[nH]c2ccccc12 215922225 KZVKNYQHTAFSRU-UHFFFAOYSA-N 288.336 1.203 0 50 CDAA O=C(CCn1cc(Cl)cn1)N1CC(c2cccnc2)C1 72128445 KUMLKNSXZZTRCK-UHFFFAOYSA-N 290.754 1.948 0 50 CDAA Cc1cc(N2CCC[C@@H](N(C)C)C2)n2nccc2n1 72440136 VPMRHAILHJMFER-GFCCVEGCSA-N 259.357 1.568 0 50 CDAA O=C(O)c1cnc(C(=O)Nc2nc(C3CC3)cs2)cn1 263357432 XKYYAJMPLMEZGW-UHFFFAOYSA-N 290.304 1.761 0 50 CDAA CC[C@@H](NC(=O)c1n[nH]c(N)n1)c1nc(C)c(C)s1 71712114 HADYNMOMNDIMCS-SSDOTTSWSA-N 280.357 1.341 0 50 CDAA NC(=O)Cc1c[nH]c2c(Br)cccc12 82619681 WNKHMFRNEDOBTO-UHFFFAOYSA-N 253.099 1.958 0 50 CDAA Cc1cnc(CN(C)C(=O)CSCCN2CCCC2)[nH]1 221410100 KEUOHBMZHBFZOX-UHFFFAOYSA-N 296.440 1.506 0 50 CDAA COc1cccc([C@@H]2CCCN2C(=O)Cn2cnnn2)c1 41934036 XUNXKVQCLDBKGU-ZDUSSCGKSA-N 287.323 1.045 0 50 CDAA COC(=O)c1nc(C)n2c1CN(C(=O)OC(C)(C)C)CC2 89195543 XGEPMUMXVHGMTI-UHFFFAOYSA-N 295.339 1.729 0 50 CDAA COC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 45996023 FQCHJYDXCLWNPX-MRVPVSSYSA-N 298.136 1.975 0 50 CDAA O=C(Cc1cnn(-c2ccccc2)c1)NC[C@@H]1CCCN1 178719018 DXJWKIAQQVGYOB-AWEZNQCLSA-N 284.363 1.283 0 50 CDAA Cn1c(SC[C@@H]2CCC(=O)O2)nnc1C1CCNCC1 426529440 RLNFHEMMZMBZGV-JTQLQIEISA-N 296.396 1.080 0 50 CDAA COc1ccc(C(=O)NCC2(Cn3cccn3)CC2)o1 220529180 AJMNADIQRYXQFG-UHFFFAOYSA-N 275.308 1.695 0 50 CDAA CNC[C@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 179011543 TVRAPDFLXCCHHK-URWSZGRFSA-N 262.328 1.907 0 50 CDAA CC(C)[C@@H](CC(=O)O)NC(=O)CCCc1cn[nH]c1 426693924 YAGYANFXMNZONR-LLVKDONJSA-N 267.329 1.348 0 50 CDAA CN(Cc1n[nH]c2c1CCC2)C(=O)[C@]1(C)CCCO1 426420029 HUQVWDOHCMGOAI-AWEZNQCLSA-N 263.341 1.426 0 50 CDAA CC(C)(C)OC(=O)N1CCN2[C@H](CO)CC[C@@H]2C1 238098794 SIVMHISIWYDSFX-MNOVXSKESA-N 256.346 1.062 0 50 CDAA CCn1c(=O)c(=O)[nH]c2cc(Br)c(F)cc21 95495616 MKDNXUSXOKMGIH-UHFFFAOYSA-N 287.088 1.611 0 50 CDAA CC(C)Nc1ncc(-c2nc(C3CCOCC3)n[nH]2)cn1 97574933 JOOYMGZBFPZKAH-UHFFFAOYSA-N 288.355 1.976 0 50 CDAA Cc1nc(CNC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)n[nH]1 95364173 SFVAYSQHQGKUEN-UHFFFAOYSA-N 298.306 1.139 0 50 CDAA CCN1C[C@@H](C(=O)NCCCc2ccccc2F)CC1=O 91433946 RXZQAUABCBWZAC-ZDUSSCGKSA-N 292.354 1.743 0 50 CDAA COc1cccc(C(=O)N(C2CC2)C2COC2)c1F 295590197 HQLUQIXVKUJYBR-UHFFFAOYSA-N 265.284 1.838 0 50 CDAA OC[C@H]1CN(Cc2ccncc2)C[C@H]1CN1CCCCC1 91997389 JMIUVQJCPNGQQF-IAGOWNOFSA-N 289.423 1.608 0 50 CDAA O=C(c1cccc(Cn2ccnc2)c1)N(C1CC1)C1COC1 295767841 OWKOTXBNBAGBFM-UHFFFAOYSA-N 297.358 1.935 0 50 CDAA CN1CCCC[C@@H]1C(=O)NCCCc1ccco1 97805652 XLQIEEZQAHTLIW-CYBMUJFWSA-N 250.342 1.813 0 50 CDAA Cn1c(CN2CC[C@](C)(O)[C@@H](O)C2)cc2cc(F)ccc21 96141450 YCCVOQXQHIQOPJ-HOTGVXAUSA-N 292.354 1.635 0 50 CDAA O=C(O)C[C@@H]1CN(C(=O)C=C(C2CC2)C2CC2)CCO1 269021280 IJWAPSFKOOTAJD-GFCCVEGCSA-N 279.336 1.435 0 50 CDAA CC(=O)N1CCN([C@H](C(=O)O)c2cc(F)ccc2C)CC1 95356658 FBYLQZFLTSHOHH-AWEZNQCLSA-N 294.326 1.424 0 50 CDAA COC[C@H](c1ccccn1)N(C)CCc1cn[nH]c1 252499170 RWNGRKOVDDNREV-CQSZACIVSA-N 260.341 1.667 0 50 CDAA O=C(NC1(C(=O)O)CCOCC1)[C@H]1CCc2ccccc21 263071909 YIUOTOAOCMPVRH-ZDUSSCGKSA-N 289.331 1.466 0 50 CDAA CCOCCC(=O)NCC1(Cn2ccnc2)CC1 534632385 KNSSYTOFWPZPMI-UHFFFAOYSA-N 251.330 1.206 0 50 CDAA CC(C)C[C@H]1CCN(Cc2cnc(NCC(=O)O)nc2)C1 534650478 BZSOJJSNNQEXGO-GFCCVEGCSA-N 292.383 1.841 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1ccsc1 534659511 CMSILQOKGWEJGH-QWRGUYRKSA-N 255.339 1.211 0 50 CDAA CCc1nnc(CNC(=O)C[C@H](C)n2ccnc2C)s1 299778580 PSSDEZIZWJTFMB-VIFPVBQESA-N 293.396 1.873 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)c2cc(=O)cc(C)n2C)n1 299767521 HQRKSJXFRLVQBX-GFCCVEGCSA-N 299.374 1.758 0 50 CDAA Cc1ccc(C)c(NC(=O)NCCc2n[nH]c(=O)n2C)c1 299767719 JECKUVKHJJWVEG-UHFFFAOYSA-N 289.339 1.089 0 50 CDAA CN1CCOC[C@@H](CNC(=O)c2ccncc2Cl)C1 584901821 SRKQYDXIXRSLMN-JTQLQIEISA-N 283.759 1.043 0 50 CDAA COc1cccc(-c2cn(Cc3nc(C)no3)nn2)n1 585134212 IPQQGPNKLOAKLT-UHFFFAOYSA-N 272.268 1.088 0 50 CDAA Cc1ncn(C)c1C(=O)N(C)Cc1nc(CC(C)C)no1 584891069 QNNDEEPXHJGXQP-UHFFFAOYSA-N 291.355 1.582 0 50 CDAA CCS(=O)(=O)NC[C@@H](C)N(C)Cc1cc(C)cc(C)n1 670445424 PBTKEVYHHXFLJB-CYBMUJFWSA-N 299.440 1.458 0 50 CDAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)c1cncs1)C2 670453850 FTVJSWOWYGFPEA-QWRGUYRKSA-N 265.382 1.699 0 50 CDAA Cc1nc(CN2CCOC[C@@H](CN(C)C)C2)n(C)c1C 670441054 IKSZUGMYKCTNJA-AWEZNQCLSA-N 280.416 1.047 0 50 CDAA CO[C@@H]1CCC[C@@H]1NCCn1cc(Br)cn1 390472348 CHQJIYKNNAMQNV-WDEREUQCSA-N 288.189 1.803 0 50 CDAA C[C@H]1CC[C@@H](c2ccc(NS(C)(=O)=O)cc2)CN1 757216175 YFZMMQOOIVEXHT-CMPLNLGQSA-N 268.382 1.914 0 50 CDAA CC1=NN(c2ncnc3c2cnn3C)C(=O)C2(CCC2)C1 871944979 JEYVOGRJVVCELZ-UHFFFAOYSA-N 284.323 1.646 0 50 CDAA CC1(C)Cc2cccc(Cn3cc(C(N)=O)nn3)c2O1 1875267441 XYUBBWBJMIHCGV-UHFFFAOYSA-N 272.308 1.139 0 50 CDAA O=C(NC1CC(C(=O)O)C1)N[C@@H]1CCC[C@@H]1n1cccn1 1875276797 CSAKLLPPKBVDKU-HCWSGVFWSA-N 292.339 1.139 0 50 CDAA Oc1ncnc2ccc(OC[C@@H]3C[N@@]3CC3CC3)cc12 1875383846 BLNBNZMIXCANHS-BBATYDOGSA-N 271.320 1.808 0 50 CDAA CCCC[C@H]1C=CCN1S(=O)(=O)c1cn[nH]c1 952989051 SAJRZJDASPEYAD-JTQLQIEISA-N 255.343 1.529 0 50 CDAA C[C@]1(C2CC2)COCCN1C(=O)c1cnc2n1CCOC2 890590737 RGLFROZYNLROPI-OAHLLOKOSA-N 291.351 1.054 0 50 CDAA CN1CCN(c2cc(Br)ccc2C(=O)O)CC1 36670464 YVLKSWSBJTWPLY-UHFFFAOYSA-N 299.168 1.899 0 50 CDAA in-vitro CCc1nc(C)c(C(=O)Nc2ccc(CO)c(CO)c2)o1 898822193 SMBQLHLWGGWHIJ-UHFFFAOYSA-N 290.319 1.782 0 50 CDAA Cc1ccc([C@H](O)CNC(=O)c2cc(F)cnc2O)o1 1417669294 WMRXZITUTDGSHB-SNVBAGLBSA-N 280.255 1.291 0 50 CDAA COc1ccc(CN)cc1COC1CCOCC1 50126126 IFWXZQCJNCNWHW-UHFFFAOYSA-N 251.326 1.850 0 50 CDAA in-vitro Clc1cnc(N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N2CCCC2)nc1 1565515916 INUGYLJBZLLUCA-RNJOBUHISA-N 294.786 1.794 0 50 CDAA Cn1cc([C@@H]2OCCC[C@H]2C(=O)N2CCC=C(F)C2)cn1 671534973 CWAJIOFNYVWRBD-KGLIPLIRSA-N 293.342 1.974 0 50 CDAA CC[C@@H](C)n1ncc(C(=O)N2CCNCC2)c1C1CC1 170070334 FQHLUTHLLYKZNI-LLVKDONJSA-N 276.384 1.777 0 50 CDAA O=C(C1=CCCCCC1)N1CCO[C@]2(CCOC2)C1 187010412 QQPHWBGZIJDEOK-OAHLLOKOSA-N 265.353 1.895 0 50 CDAA CCOC(=O)c1n[nH]c2cc(Br)cnc12 89219764 XQXVIARYOPRUQD-UHFFFAOYSA-N 270.086 1.897 0 50 CDAA in-vitro C[C@H](C(=O)OC[C@@H]1CCCO1)N(C)CC(F)(F)F 170619245 PVDDSWTYHRUEIQ-BDAKNGLRSA-N 269.263 1.591 0 50 CDAA O=C(c1ccc2[nH]c(=O)[nH]c2c1)N(CC(F)F)C1CC1 170945184 FMVUQNWJSMBWAI-UHFFFAOYSA-N 281.262 1.726 0 50 CDAA O=C1OCC[C@H]2CN(c3ccncc3F)CCN12 585118491 QTIZEATYGKMHDR-VIFPVBQESA-N 251.261 1.252 0 50 CDAA NC[C@H]1CN(C(=O)C2CC(c3ccc(F)cc3)C2)CCO1 638170695 HTKKXSMUDXIERC-PIMMBPRGSA-N 292.354 1.505 0 50 CDAA C[C@H](c1nnnn1C)N1CCO[C@H](c2cccc(O)c2)C1 189572277 BQUVKLQDTYPCFT-MFKMUULPSA-N 289.339 1.050 0 50 CDAA Cc1nn(C)cc1NC(=O)NCc1nccs1 189679297 PHJPCKAKPQXIJM-UHFFFAOYSA-N 251.315 1.507 0 50 CDAA CO[C@@H]1C[C@H]2C(=O)N([C@H](C)C(C)(C)C)C(=O)N2C1 225451449 ZOGZJFDQJGVTDR-BBBLOLIVSA-N 254.330 1.473 0 50 CDAA O=C(O)[C@H](C(=O)NCc1cc(F)ccc1F)C1CC1 663035454 XDSXWKKJDXIPKA-NSHDSACASA-N 269.247 1.692 0 50 CDAA C[C@@H]1[C@H](N(C)CCO)CCN1c1nccc2[nH]ccc12 663934321 LPYMRUCEZLXSIL-BXUZGUMPSA-N 274.368 1.454 0 50 CDAA O=C(Cc1ccc(Cl)cn1)NOCc1cccnc1 786413615 VAENDNRWOQZDMX-UHFFFAOYSA-N 277.711 1.921 0 50 CDAA O=C1CCCN1[C@@H]1CCCN(Cc2ccncc2)C1 97785522 JWAHBTAIMDQFHJ-CQSZACIVSA-N 259.353 1.668 0 50 CDAA Cc1ccc2nc(CCN3CCN(CCO)CC3)[nH]c2c1 1506415602 PSSCRBHKXAAMOB-UHFFFAOYSA-N 288.395 1.024 0 50 CDAA CCc1nc(N2CCN(C(C)C)[C@H](CC)C2)no1 1506416459 BOFRHUONMWYMCA-LLVKDONJSA-N 252.362 1.941 0 50 CDAA Cc1nncn1CCN(CC1CC1)C[C@@H]1CCCO1 1506397334 RVWBFXJCRLRONE-AWEZNQCLSA-N 264.373 1.478 0 50 CDAA CO[C@@H]1CCN(Cc2nnc(-c3cccnc3)o2)C1 1506402790 JVHRUVVPBNOULG-LLVKDONJSA-N 260.297 1.352 0 50 CDAA O=C(O)[C@@H]1CCC(=O)N1C(=O)/C=C/c1ccccc1 267675 PNBJXAUJYIKDDX-IOCXFXADSA-N 259.261 1.302 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)O1 408474531 CJPMVVVSEBSPRN-UMSGYPCISA-N 255.358 1.731 0 50 CDAA CSC[C@@H](C)CNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110681426 UEMJXRWLIKNIGQ-ZRUFSTJUSA-N 258.387 1.605 0 50 CDAA CCNC(=O)N1CCn2c(nnc2C2CCCC2)C1 334324089 ZVSCMKZLGGLTKA-UHFFFAOYSA-N 263.345 1.481 0 50 CDAA O=C(OCC1CC1)N1CCC[C@@](O)(C2(C(=O)O)CCC2)C1 1602613272 CMMYFZFNEUGWPY-HNNXBMFYSA-N 297.351 1.615 0 50 CDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc3nonc23)C1 15890450 PFVSMBVUZUVGTO-AOOOYVTPSA-N 295.364 1.889 0 50 CDAA CN(C)S(=O)(=O)c1ccc(CCC(=O)NC2CC2)cc1 16625016 VJUKGBCZBZJFDU-UHFFFAOYSA-N 296.392 1.148 0 50 CDAA O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1ccco1 17198164 JZXRUIVZSJQNQX-UHFFFAOYSA-N 298.298 1.686 0 50 CDAA Cc1nc(CN2CCO[C@@H](c3ccccn3)C2)cn1C 1857704345 OOHIPPKAOCBCJA-OAHLLOKOSA-N 272.352 1.697 0 50 CDAA CCc1nsc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 302716392 FYJXGRUSSQHSPD-GXSJLCMTSA-N 279.369 1.776 0 50 CDAA CC(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](CO)CC1 408393753 GQHGTHSTYXFDAQ-AAVRWANBSA-N 269.385 1.715 0 50 CDAA Cc1cccc([C@H]2CCCN2C(=O)CCNC(N)=O)c1 124181162 MCSNOKIVHPXJCT-CYBMUJFWSA-N 275.352 1.717 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@H]1CCCCO1)c1cccs1 127915058 ZVOMXVWELMPRIK-VHSXEESVSA-N 283.349 1.949 0 50 CDAA Cc1cc[nH]c1C(=O)N[C@H]1c2ccccc2C[C@H]1O 336145332 BJFWRNIXELXHEU-OCCSQVGLSA-N 256.305 1.711 0 50 CDAA CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@H]1O 252486750 MUPAPEDKCKNYLY-ZIAGYGMSSA-N 263.337 1.433 0 50 CDAA in-vitro CCNC(=O)C(C)(C)CN[C@@H]1C[C@@H]2OCCC[C@H]21 252523243 CEHUHTHQWKXSPY-TUAOUCFPSA-N 254.374 1.306 0 50 CDAA C[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1)[C@@H](C)C(=O)O 576818011 UOEXFFVDLCCRRO-GHMZBOCLSA-N 299.330 1.983 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 263263758 GZJFBXSMAGKHLN-GGVZMXCHSA-N 283.274 2.000 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)c1cnn2ccccc12 263535252 YWGGUSCAALRGID-MNOVXSKESA-N 287.319 1.660 0 50 CDAA COC(C)(C)CC(=O)N1CCc2occc2[C@@H]1C(=O)O 910206092 QVWVJRITDNBOSK-GFCCVEGCSA-N 281.308 1.605 0 50 CDAA CCn1nncc1C(=O)N1CC=C(c2ccccc2)C1 816007485 QZOBZBFWUIFMDB-UHFFFAOYSA-N 268.320 1.837 0 50 CDAA COC[C@@]1(C(N)=O)CCCN1C(=O)C=C1CCCCC1 818383224 NOAMDIMVGIWGJD-OAHLLOKOSA-N 280.368 1.370 0 50 CDAA NC[C@@H]1C[C@H](F)CN1C(=O)Nc1cncc(F)c1 841226798 AJQSVWHADBDDCN-WPRPVWTQSA-N 256.256 1.124 0 50 CDAA CC(C)(C)OC(=O)N=c1[nH]nc(CCCC(=O)O)s1 1857783163 VTUUHISDRMJASK-UHFFFAOYSA-N 287.341 1.714 0 50 CDAA CCN(CC(N)=O)C(=O)Cc1c[nH]c2ccccc12 231826976 CGKXVLGZTDIENJ-UHFFFAOYSA-N 259.309 1.044 0 50 CDAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](C)[C@H]1C(=O)O 235606406 FOMZUCGOCGDDPG-UFBFGSQYSA-N 279.340 1.362 0 50 CDAA C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CCN1C 237465799 BHDWIVPTNXKBKP-GRYCIOLGSA-N 255.406 1.301 0 50 CDAA C[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1(F)F 263080836 BHTMHDSONUUGJP-GXFFZTMASA-N 283.274 1.844 0 50 CDAA O=C(O)CCCCC(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 263288746 LDGJVFLXMOOVJP-NNYUYHANSA-N 267.325 1.267 0 50 CDAA COc1ncc(Cl)c(N2CCC[C@H](CO)CC2)n1 294101682 ORVHNQOMIGAFEB-VIFPVBQESA-N 271.748 1.737 0 50 CDAA Fc1cccc(CN2CCN(C[C@H]3CCOC3)CC2)c1 72157596 BIQDBLSMBUGEOC-OAHLLOKOSA-N 278.371 1.980 0 50 CDAA Cc1nc(CN2CCC(CN3CCOCC3)CC2)co1 77521949 SOLNVOUTERDZPL-UHFFFAOYSA-N 279.384 1.527 0 50 CDAA O=C(O)c1ccc(C(=O)NCC[C@@H]2CCCOC2)cc1 630229280 NLRANNDWDYJBCK-NSHDSACASA-N 277.320 1.931 0 50 CDAA CN(CC1(CO)CC1)C(=O)[C@@H]1CC12CCOCC2 373677444 WSYPVJKNSIMCGS-NSHDSACASA-N 253.342 1.034 0 50 CDAA Cc1ccc(C(=O)O)c(N2CCO[C@@H](C3CC3)C2)n1 710064591 ACQYYBQLPYHBON-GFCCVEGCSA-N 262.309 1.703 0 50 CDAA Cc1cc(N[C@H]2CCCN(CCO)C2)ncc1[N+](=O)[O-] 384793372 XBWAENWYVOZASZ-NSHDSACASA-N 280.328 1.167 0 50 CDAA COC(=O)c1cncnc1N(C)Cc1csnc1OC 723202098 PJKAFTYGRYZSEJ-UHFFFAOYSA-N 294.336 1.365 0 50 CDAA COC1CC2(CC(NC(=O)c3nnn(C(C)(C)C)n3)C2)C1 2325777419 AMAUWNCYNMXUJI-UHFFFAOYSA-N 293.371 1.116 0 50 CDAA O=C(O)C12CCC(C(=O)NCc3cnc(C4CC4)o3)(C1)C2 2325808546 ANOCXRDTOMDFTD-UHFFFAOYSA-N 290.319 1.813 0 50 CDAA NC[C@@H](O)COc1ccc(-c2cnn3cccnc23)cc1 2325872357 UDCGYXHSWXKXPP-GFCCVEGCSA-N 284.319 1.095 0 50 CDAA O=C(NCc1cn(C[C@H]2CCOC2)nn1)c1ccccc1 899706061 MXBPJGCCCBOXHG-GFCCVEGCSA-N 286.335 1.245 0 50 CDAA Nc1nnc(SCC(=O)NC2CCCC2)s1 36102 MIXUSWVOEZCVCD-UHFFFAOYSA-N 258.372 1.271 0 50 CDAA COC(=O)N(c1cccc(Cl)c1)S(C)(=O)=O 400506 XYPABBZGSBOCMA-UHFFFAOYSA-N 263.702 1.872 0 50 CDAA CC(C)OC[C@@H](O)CN1C(C)(C)CC(O)CC1(C)C 616674 ZQXIPLZTOPFMPD-ZDUSSCGKSA-N 273.417 1.786 0 50 CDAA CCCn1nccc1Nc1ccc(CS(C)(=O)=O)cn1 2356133744 AXMWILZHDOOABF-UHFFFAOYSA-N 294.380 1.976 0 50 CDAA COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 2493876 MZVFVRZACUFIER-UHFFFAOYSA-N 283.349 1.648 0 50 CDAA O=C(CSc1cn[nH]n1)Nc1ccc2c(c1)OCO2 4386608 KEJPMPNVHZNRBM-UHFFFAOYSA-N 278.293 1.264 0 50 CDAA COc1cccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c1 112712309 PRHFGTZCAJSOFV-LLVKDONJSA-N 287.323 1.423 0 50 CDAA Cc1ccc(C)c([C@H]2CN(C(=O)CCN)[C@@H](C)CO2)c1 119066267 LKEVFEUBNCOJDV-DZGCQCFKSA-N 276.380 1.941 0 50 CDAA CCOC(=O)N1CCN(C(=S)NC2CCCCC2)CC1 8830295 FHPMHMBHBRZFBU-UHFFFAOYSA-N 299.440 1.968 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](O)CCO2 66324408 AFBZDBVIWMIHPG-LLVKDONJSA-N 271.357 1.927 0 50 CDAA Cc1cccc(C)c1OC1CN(C(=O)c2ncc[nH]2)C1 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CCc1ccc([C@H]2CCCN2C(=O)[C@H](O)c2cnc[nH]2)o1 865940191 TZDAWIGCKXURLP-TZMCWYRMSA-N 289.335 1.962 0 50 CDAA COCCN1CC[C@H](CN(C)c2nnc(C)s2)C1 670459508 YLJZEHXAEMGFDT-LLVKDONJSA-N 270.402 1.251 0 50 CDAA CCc1cccnc1C(=O)N1CCC[C@H](CC(N)=O)CC1 671545110 PFFQLELIXNUOAH-LBPRGKRZSA-N 289.379 1.762 0 50 CDAA Cc1cc(O)c(COC(=O)[C@H]2SCC[C@H]2C)nn1 1875277823 HHUDBWXMXBQBRC-HQJQHLMTSA-N 268.338 1.675 0 50 CDAA CO/C(=C/c1ccccc1)c1nnc([C@H]2CNC(=O)C2)o1 1875266354 WJHGERNJTMYJFY-LAPSENCUSA-N 285.303 1.818 0 50 CDAA C[C@H](c1nncn1C)n1cc(C(C)(C)NC(C)(C)C)nn1 1875281847 ACJOXVMLBODYFL-SNVBAGLBSA-N 291.403 1.639 0 50 CDAA O=C(Nc1ccns1)N1CCO[C@H]2[C@@H]1[C@@H]2C(F)(F)F 1875311120 NSLJXTLPSKTUTM-BIIVOSGPSA-N 293.270 1.937 0 50 CDAA CCc1noc(C(=O)N2CC(c3ncc(C4CC4)cn3)C2)n1 1776005447 IYFOYBPCDLPETO-UHFFFAOYSA-N 299.334 1.539 0 50 CDAA C[C@@H]1OCCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)[C@@H]1C 248921664 FFHNTCYWCXUHCO-GUIRCDHDSA-N 276.380 1.958 0 50 CDAA CSc1cccc(NS(=O)(=O)N(C)C)c1C 271650689 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253.317 1.309 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N1CCC(CC(=O)O)CC1 668268412 PCXFBCCLIFJJAJ-ZYHUDNBSSA-N 269.341 1.515 0 50 CDAA Cc1cscc1C(=O)N[C@@H](C(=O)O)C1CCOCC1 668307454 GAASWHZPMHHGEY-LLVKDONJSA-N 283.349 1.666 0 50 CDAA Cc1csc(CCNC(=O)N2CCC3(CCO3)CC2)n1 669642254 MWXIEWZQOULOQL-UHFFFAOYSA-N 295.408 1.959 0 50 CDAA c1ccc([C@H]2Cc3nnc(Cn4cccn4)n3C2)cc1 1800408529 DYPPDSWCDWFVNX-ZDUSSCGKSA-N 265.320 1.863 0 50 CDAA CC(=O)N[C@H]1CCN(c2noc(C(C)(C)C)n2)C1 579579000 QJHLPJGGNJMKGP-VIFPVBQESA-N 252.318 1.082 0 50 CDAA Cc1nc(C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)N(C)C2)no1 583616782 RODZNNPNJJSQSK-SFYZADRCSA-N 292.261 1.133 0 50 CDAA CC(C)(C)c1nnc(CN2CC[C@@](F)(CO)C2)o1 585080562 CGCMIOCCXVIPRP-LBPRGKRZSA-N 257.309 1.273 0 50 CDAA CC[C@@H](C)[C@@H](C(=O)Nc1ncc(C)s1)n1cnnn1 1615155107 MWIRRGJHJRQQDI-APPZFPTMSA-N 280.357 1.664 0 50 CDAA COc1ccccc1C(=O)N1C[C@H](C)Cn2ncnc21 1615613707 BWADJNIQIYYTNR-JTQLQIEISA-N 272.308 1.583 0 50 CDAA Cc1nccc(N2CCCN(C(=O)C(C)C)CC2)n1 266380534 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O=S(=O)(Cc1cccc2cccnc12)NCCCCO 252496470 PJELRDKFERDWNE-UHFFFAOYSA-N 294.376 1.427 0 50 CDAA COC(=O)c1ccc2c(c1)CN(c1cc(C)nc(N)n1)CC2 771260587 JCOGHPYKQQWRNN-UHFFFAOYSA-N 298.346 1.717 0 50 CDAA C[C@@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H](C)N1 153524242 CHYKCKHUINVEDF-VXGBXAGGSA-N 285.351 1.090 0 50 CDAA Cc1ccc(C)c(N2CCN(C(=O)c3c[nH]nn3)CC2)c1 158820307 CPSDRZGRHXTKEM-UHFFFAOYSA-N 285.351 1.384 0 50 CDAA COc1ccnc(N2CCN(c3nc(C)ns3)CC2)c1 266426994 SYTBVRHHNGBMFU-UHFFFAOYSA-N 291.380 1.577 0 50 CDAA Cn1cnc(CNC(=O)CCc2ccc(C(=O)O)cc2)c1 908122343 PWZJUJBPGBDPOQ-UHFFFAOYSA-N 287.319 1.367 0 50 CDAA OC[C@@H]1[C@H](CO)CCCN1Cc1ccc2cc[nH]c2c1 931501404 AZJXADYSFCVWOL-GOEBONIOSA-N 274.364 1.733 0 50 CDAA CC(C)N1CC[C@H](N(C)CCc2ccccn2)C1=O 120276048 ZGSJDLNATFNSGW-AWEZNQCLSA-N 261.369 1.565 0 50 CDAA C[C@]1(O)CCCN(C(=O)CCOCC(F)(F)F)CC1 230369009 DNHDCZLTGUESRC-NSHDSACASA-N 283.290 1.719 0 50 CDAA CCN(CC)CC(=O)N[C@H](C(=O)O)c1ccccc1 236842942 OHJCSRZWOUZXAP-ZDUSSCGKSA-N 264.325 1.270 0 50 CDAA 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1.912 0 50 CDAA CC(C)c1ccc(CCC(=O)NC[C@@H](O)CC(=O)O)cc1 1615058177 LYOQCWMLIHMDDN-AWEZNQCLSA-N 293.363 1.694 0 50 CDAA C[C@@H](CC1COC1)N[C@H]1CC(=O)N(C2CCCCC2)C1 1615585800 LRWQPLAJNGTFIV-JSGCOSHPSA-N 280.412 1.935 0 50 CDAA O=C(Nc1ncc(Cl)cc1O)[C@H]1CCCCO1 1615605021 IPNTYAXCDKRTPE-SECBINFHSA-N 256.689 1.948 0 50 CDAA Cc1ccnc(NC(=O)NCCN2CCOC(C)(C)C2)n1 1616035670 BTOHAIWZTBKXFW-UHFFFAOYSA-N 293.371 1.017 0 50 CDAA O=C(O)c1ccccc1CN1C[C@@H]2COCC[C@]2(CO)C1 1772704772 SVURYJQMJTWQTR-CZUORRHYSA-N 291.347 1.216 0 50 CDAA COc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O 12381504 ZLKDFHWKOAHYBK-UHFFFAOYSA-N 287.337 1.470 0 50 CDAA CN(Cc1ccccc1-c1nnn[nH]1)C[C@@H]1CCCCO1 19743596 YHQICHCNMHNRBB-ZDUSSCGKSA-N 287.367 1.868 0 50 CDAA CCN1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 19899634 JMNXWFGBYXLBAQ-CQSZACIVSA-N 287.407 1.602 0 50 CDAA CC(C)OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 19938322 GNOJFUXZGOGSSY-MRXNPFEDSA-N 296.386 1.734 0 50 CDAA Cc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 169300103 WPFYQSJKOJNEMK-NDBYEHHHSA-N 257.289 1.662 0 50 CDAA CC[C@@H](C)NC(=O)Cc1c(O)[nH]c2ccccc2c1=O 166108078 VYDCLAUTCQTNEW-SECBINFHSA-N 274.320 1.691 0 50 CDAA C=CC(=O)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 390834745 WACZDKPYOLRERK-PSASIEDQSA-N 251.248 1.772 0 50 CDAA O=C(O)c1ccc(OCCN2CCOCC2)cc1 6681913 MTTBXKVGISPBNJ-UHFFFAOYSA-N 251.282 1.096 0 50 CDAA in-vitro CC(C)[C@@H](C(=O)N1CCC(c2cnc[nH]2)CC1)N(C)C 331139080 JLTCEUNCIIXGSC-AWEZNQCLSA-N 278.400 1.702 0 50 CDAA O=C(c1cc2n(n1)CCC2)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 333339340 XRJXUIHGYPFQFP-GMXVVIOVSA-N 275.352 1.062 0 50 CDAA Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)c(C)o1 237535473 GRNXGOHZPMWYGD-KWQFWETISA-N 272.370 1.397 0 50 CDAA O=C(c1ccccc1-n1cccn1)N1CCCNCC1 238170776 FQGODOXQXIBSFC-UHFFFAOYSA-N 270.336 1.308 0 50 CDAA CN(CCc1cnccn1)[C@@H](C(=O)O)c1ccc(F)cc1 566361985 OXSDZXSQLGKBKQ-CQSZACIVSA-N 289.310 1.916 0 50 CDAA COc1cc(C)nc(N2CCC[C@@H](N(C)C)CC2)n1 253433659 ZUIFWMYIXDVMJR-GFCCVEGCSA-N 264.373 1.714 0 50 CDAA Cn1cnc(NC(=O)c2cccc(-n3cccn3)c2)n1 356456238 NJMIJWDVIYOKOJ-UHFFFAOYSA-N 268.280 1.253 0 50 CDAA Cc1c[nH]nc1CN1CCc2ccccc2[C@@H]1C(N)=O 365620668 SZAYHKVLCUKSLV-CQSZACIVSA-N 270.336 1.303 0 50 CDAA Cc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)O)cn1 158492510 XMECEXQFQVASOZ-GFCCVEGCSA-N 262.309 1.398 0 50 CDAA C[C@H](NC(=O)NCc1nnc(O)n1C)c1ccccc1 585137541 DPOIBBGKSIMSCO-VIFPVBQESA-N 275.312 1.081 0 50 CDAA COc1nn(C)cc1CN[C@@H](C)c1snnc1C 1875284872 ROUAFWNKQYJUGA-ZETCQYMHSA-N 267.358 1.439 0 50 CDAA CCc1cc(NC(=O)c2c[nH]c(C)cc2=O)nc(C)n1 903623502 FMTVBQYXYLKPEE-UHFFFAOYSA-N 272.308 1.596 0 50 CDAA CCc1csc([C@@H](C)NC(=O)[C@@H](C)NC(C)=O)n1 823542466 HAPVPNCFMZEYLZ-HTQZYQBOSA-N 269.370 1.407 0 50 CDAA CCn1[nH]nnc1=NC(=O)N1[C@H]2CC[C@H]1CC(CCF)C2 931679604 VQQGCFUUEGFHFK-QWRGUYRKSA-N 296.350 1.249 0 50 CDAA COC[C@](C)(NC(=O)Nc1ccc(Cl)cc1)C(=O)O 225707789 NBOSQSZYPGWIJZ-LBPRGKRZSA-N 286.715 1.951 0 50 CDAA CCn1cc(NC(=O)Cc2ccccc2O)ccc1=O 122377039 UBCBISNCLGBROS-UHFFFAOYSA-N 272.304 1.755 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1 5545973 QJKXPEKEAIVEGV-QWHCGFSZSA-N 269.366 1.577 0 50 CDAA CCN(C[C@@H]1COc2ccccc2O1)[C@@H](C)C(=O)O 236899681 UUFTVGOOGUYRTA-WDEREUQCSA-N 265.309 1.621 0 50 CDAA Cc1nc([C@H]2CCCCN2Cc2ccnn2C)n[nH]1 407982027 DONIYUSFFRDEDX-GFCCVEGCSA-N 260.345 1.574 0 50 CDAA O=C(O)[C@@H](CNc1ccccn1)C1CCOCC1 863732973 FBBHJYWQKCLCII-NSHDSACASA-N 250.298 1.621 0 50 CDAA O=C(O)C(C[C@H]1COc2ccccc2O1)C(=O)O 4124883 LLURXEPIGQJFOJ-ZETCQYMHSA-N 252.222 1.002 0 50 CDAA biogenic CC(C)c1nocc1CNC(=O)[C@@H](C)N1CCSCC1 2325766613 FUDGIIMXDQGDIL-LLVKDONJSA-N 297.424 1.852 0 50 CDAA COc1ccc([C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)O)C2)cc1 2325778017 XRNMFQLJVYGWNV-UZGDPCLZSA-N 289.331 1.778 0 50 CDAA CC1(C)CCc2cc(N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)nnc21 2325790545 SUYNCZCIMXEHLZ-ZZVJUGKHSA-N 285.391 1.906 0 50 CDAA CC(C(=O)N[C@H]1CCC[C@@H]1c1nn[nH]n1)=C1CCC1 2325808739 HMYJYYHPKQQCMU-QWRGUYRKSA-N 261.329 1.452 0 50 CDAA O=C(O)CN1C(=O)c2ccc(Br)cc2C1=O 192012 JCUKVUYSOJWGSD-UHFFFAOYSA-N 284.065 1.130 0 50 CDAA COc1cc(NC(=O)C2CC2)c(C(=O)O)cc1OC 313461 JXGBRFGCGDKCCP-UHFFFAOYSA-N 265.265 1.751 0 50 CDAA biogenic N=C(N)Nc1nc(O)c2cc(Br)ccc2n1 1274730 UCKZCSWWTVQVFN-UHFFFAOYSA-N 282.101 1.403 0 50 CDAA COCCNCCOCCOc1cccc(OC)c1 2385131 AVEGTLQSRAZJEO-UHFFFAOYSA-N 269.341 1.327 0 50 CDAA Nc1nnc(SCC(=O)NCc2ccccc2)s1 2843393 XSEHXURFQKRVRP-UHFFFAOYSA-N 280.378 1.529 0 50 CDAA O=C(c1ccc(F)cc1F)N1CCC[C@]12CCCNC2=O 2356163658 MOTCFTRFJLGSHA-HNNXBMFYSA-N 294.301 1.850 0 50 CDAA CN1CC[C@H]2CC[C@@H](C1)N2c1ncc2c(ncn2C)n1 2356164766 GEXUJLACOHOFHI-MNOVXSKESA-N 272.356 1.036 0 50 CDAA CCCCCc1nnc(NC(=O)CNC(=O)CC)s1 57306341 FVWGOXYPVKAESM-UHFFFAOYSA-N 284.385 1.736 0 50 CDAA CCOC(=O)CSc1nnc(-c2ccccc2)c(O)n1 8772953 RUNZWYQXNVHABQ-UHFFFAOYSA-N 291.332 1.899 0 50 CDAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N1Cc2cccc(F)c2C1 418665506 CPQLVICEVPKNNG-IWIIMEHWSA-N 261.300 1.069 0 50 CDAA CN1CCN(Cc2ccnn2C)[C@@H](c2ccccc2)C1 20917550 SRJQUPRHDVRJHG-MRXNPFEDSA-N 270.380 1.909 0 50 CDAA CCCN1CCN(C(=O)c2c(Cl)cnn2C)CC1 55060299 DQVFERHDIUAEEB-UHFFFAOYSA-N 270.764 1.241 0 50 CDAA CCCOC(=O)c1cccc(NC(=O)/C=C\C(=O)O)c1 31854507 ZXTDHZAZGCQFNK-SREVYHEPSA-N 277.276 1.833 0 50 CDAA O=C(NC[C@@H](CO)CC1CCCCC1)c1cn[nH]c1 252497372 QFAQIFSTQJTHID-LBPRGKRZSA-N 265.357 1.718 0 50 CDAA COc1ccc(OC)c(-n2cnnc2[C@@H](C)OC)c1 67908006 VTILAASPAAFBBM-SECBINFHSA-N 263.297 1.992 0 50 CDAA OCC1(CNc2ncnc3cc(F)c(F)cc23)COC1 120459343 LQSIGEDLCHVDLT-UHFFFAOYSA-N 281.262 1.329 0 50 CDAA CC[C@@H](NC(=O)C1=NNC(=O)CC1)c1ncccc1C 67772914 KYZIFHPJJUIUHZ-SNVBAGLBSA-N 274.324 1.223 0 50 CDAA COC(=O)C1(C(=O)N2C[C@@H](OC)Cc3ccccc32)CC1 253396915 NLTWLMOCUUPOGX-LBPRGKRZSA-N 289.331 1.544 0 50 CDAA O=C(Cc1ccsc1)NCCn1cnc(C(=O)O)c1 231624598 FSCWJKCPJVMROI-UHFFFAOYSA-N 279.321 1.002 0 50 CDAA C[C@@H](Cn1cncn1)NCc1n[nH]c2c1CCCCC2 67878577 ONTQMMPMPKGDGX-NSHDSACASA-N 274.372 1.448 0 50 CDAA CCN1CCO[C@H](CC(=O)Nc2ccc(F)cc2)C1=O 538853 LWEPIQQWAIQPNZ-GFCCVEGCSA-N 280.299 1.402 0 50 CDAA Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccccn2)n(C)n1 363113201 AFKTXZSIUNXPOH-CQSZACIVSA-N 299.378 1.727 0 50 CDAA c1ncc(CCNc2nc(C3CC3)nc3c2CCNCC3)[nH]1 72458618 YXHORHFYWALEFX-UHFFFAOYSA-N 298.394 1.420 0 50 CDAA O=C(Cc1noc([C@H]2C[C@@H]2C2CC2)n1)N1CCCC1 328841947 PWCXBHKKMRNJEL-MNOVXSKESA-N 261.325 1.748 0 50 CDAA CS(=O)(=O)c1nccn1Cc1ccc(Cl)nc1 174112001 CMPGIHORHPTZJU-UHFFFAOYSA-N 271.729 1.383 0 50 CDAA CO[C@@H](C)CC(=O)N1CCCC[C@H]1c1ncon1 124067195 CAXNSHXOELFFST-UWVGGRQHSA-N 253.302 1.548 0 50 CDAA Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)O)cs2)cn1 370141506 GXKPBQGPJKCAPW-VHSXEESVSA-N 291.332 1.922 0 50 CDAA Cc1ccccc1-n1cc(CN(C)C(=O)c2cn[nH]n2)cn1 72159271 BMJSPPGKHUIZLN-UHFFFAOYSA-N 296.334 1.571 0 50 CDAA C[C@H]1C(=O)NCCN1Cc1ccc(CCC(C)(C)O)cc1 72430776 RLMMRFIYIHIQSH-ZDUSSCGKSA-N 290.407 1.710 0 50 CDAA CC(C)Oc1cccc(CC(=O)N2CC[C@@H](N)C2)c1 236756263 BBFOABGSLAUKPF-CYBMUJFWSA-N 262.353 1.576 0 50 CDAA CS(=O)(=O)c1cccnc1N1CC[C@]2(CCCOC2)C1 343152888 XJGYVODUXYZFLF-CQSZACIVSA-N 296.392 1.492 0 50 CDAA CNC(=O)NC[C@H](c1ccc(C)s1)N1CCOCC1 176925620 OALUEFQGXQTDPA-LLVKDONJSA-N 283.397 1.359 0 50 CDAA CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2OC(=O)C[C@@H]21 39333219 UMDQPEMZJHAFNL-NZXKUZLXSA-N 268.353 1.796 0 50 CDAA in-vitro CCc1cc(N2CC[C@H](O)C2)n2nc(C)c(C)c2n1 72476915 VRGDXPAOERVURR-LBPRGKRZSA-N 260.341 1.480 0 50 CDAA Cc1cccc(-n2ncc(C(=O)N3CC(C)(CO)C3)c2C)c1 334985628 GKGFNIDCPPHFGQ-UHFFFAOYSA-N 299.374 1.944 0 50 CDAA C[C@H](NC(=O)N1CC(O)(C2CC2)C1)c1ccccn1 335125488 PREBKHIHJMOACO-JTQLQIEISA-N 261.325 1.309 0 50 CDAA Cc1ccc(S(=O)(=O)CCCN2C[C@H](O)C[C@H]2C)cc1 341120539 DCOFEJMTFUGUOV-ZIAGYGMSSA-N 297.420 1.614 0 50 CDAA Cc1cc(C(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)[nH]n1 285773142 MGPDJKUSUCYORM-HNNXBMFYSA-N 298.390 1.717 0 50 CDAA Cc1ccc(C(=O)NC[C@@H](C)Oc2cccnc2)c(=O)[nH]1 216122798 PWHWTOCEKGBKKI-LLVKDONJSA-N 287.319 1.276 0 50 CDAA O=S(=O)(c1ccoc1)N1CCOCC2(CCC2)C1 336471274 JFNVOHIHYLOICF-UHFFFAOYSA-N 271.338 1.471 0 50 CDAA O=C(NC[C@@H]1CCCn2ccnc21)c1ccncc1 336633541 DBKXFBJQKJUGSQ-LBPRGKRZSA-N 256.309 1.586 0 50 CDAA CCO[C@@H]1C[C@@H](N(C)C(=O)CC2OCCCO2)C12CCC2 241942350 ULVWNDBUZAUISR-CHWSQXEVSA-N 297.395 1.946 0 50 CDAA CN[C@@H](CO)c1cc(OC)ccc1Br 229296726 FBVIFOVPPRDLJE-JTQLQIEISA-N 260.131 1.711 0 50 CDAA COc1ncnc(N(C)C)c1NC(=O)C(F)(F)C(F)F 178321494 MQKYKDPKCREVOQ-UHFFFAOYSA-N 296.224 1.390 0 50 CDAA CCOC(=O)CC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 83291698 SHPVYSDLQWCDJP-SNVBAGLBSA-N 285.340 1.908 0 50 CDAA COCC[C@H]1COCCN1C(=O)NCc1ccccc1F 291900287 MZEYTWXMWNKZMA-ZDUSSCGKSA-N 296.342 1.773 0 50 CDAA COc1ccc(-c2cc(=N)[nH]c(=N)[nH]2)c2cccnc12 426405479 IWBALRZWFMXWRE-UHFFFAOYSA-N 267.292 1.526 0 50 CDAA Cc1nccn1CC(=O)N[C@@H]1CCc2ccccc2C1 223685799 JDSARNCCGFZMSR-OAHLLOKOSA-N 269.348 1.865 0 50 CDAA C[C@@H](CCC(=O)NCCn1cccn1)N1CCCC1 221214509 YUPJLZPHSHHVQT-ZDUSSCGKSA-N 264.373 1.264 0 50 CDAA Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2cc[nH]n2)n1 426465181 LZONHFMRLFJCLB-LLVKDONJSA-N 273.340 1.648 0 50 CDAA Cn1ccnc1[C@@H](NC(=O)CCc1ccnn1C)C1CC1 426510850 OOQHWGCHQZDZLT-AWEZNQCLSA-N 287.367 1.354 0 50 CDAA Cc1cnc([C@H](C)NC(=O)c2ccc(C)n(C)c2=O)[nH]1 426490479 OSMSEKGHCWETEA-JTQLQIEISA-N 274.324 1.216 0 50 CDAA CC(C)c1nc(CN2CCOC[C@H]2CC(=O)O)co1 97334212 QQYBNBFCMHJKRQ-LLVKDONJSA-N 268.313 1.474 0 50 CDAA Cc1n[nH]c(CN2CCc3[nH]nc(CO)c3C2)c1Cl 97323954 MDVKBEFPJMXBAD-UHFFFAOYSA-N 281.747 1.145 0 50 CDAA Cc1cccc(N2CCN(C(=O)[C@@H](C)OC(C)C)CC2)n1 97823620 DESOBEXYVRBEJM-CQSZACIVSA-N 291.395 1.852 0 50 CDAA C=CC(=O)N(C)CC(=O)N1C[C@@H](C)c2ccccc21 858520960 YAUASOVNOPEMNQ-LLVKDONJSA-N 258.321 1.781 0 50 CDAA C[C@H]1CN(C(=O)[C@H](C)Oc2cccnc2)C[C@@H](C)O1 180728671 DPUFSPNUVGAESV-TUAOUCFPSA-N 264.325 1.485 0 50 CDAA CC(C)c1nnc(Cn2ncc3ccccc3c2=O)o1 95359498 HIENADFAMXIEAR-UHFFFAOYSA-N 270.292 1.951 0 50 CDAA CCOC(=O)c1cn(-c2cccc(OC)c2)nc1N 146824732 OMCUSTCIBHAIIF-UHFFFAOYSA-N 261.281 1.640 0 50 CDAA CC(=O)c1cnc(N[C@H](C)Cn2cncn2)nc1C 91973703 YLJGRNFOZWLRLB-MRVPVSSYSA-N 260.301 1.080 0 50 CDAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)C2CCC2)C1 91503764 CCAAJQURWVADKE-HNNXBMFYSA-N 283.368 1.907 0 50 CDAA CCN(CC)c1nc(N)cc(-c2c(C)n[nH]c2C)n1 97636472 DEDYLSBCRFXPQN-UHFFFAOYSA-N 260.345 1.912 0 50 CDAA CC(C)c1ccnc(N2CCc3[nH]nc(CO)c3C2)n1 95363386 WZEFAJSCVJWGCX-UHFFFAOYSA-N 273.340 1.378 0 50 CDAA Cc1ccc(F)c(C(=O)NCCN2CCNC2=O)c1Cl 244707996 KLPZHVTXLLWIGB-UHFFFAOYSA-N 299.733 1.543 0 50 CDAA C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N1CCC2(C1)OCCO2 246131483 IZTWQZATWHMNBY-AGIUHOORSA-N 282.384 1.970 0 50 CDAA O=C(Cn1ccnc1)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 243893377 AQRQTLOTPGDQMQ-BZUAXINKSA-N 299.374 1.382 0 50 CDAA CN1CCC[C@@H]1CCN1CCOc2ccc(CO)cc2C1 243893810 AUMPIWDQDXZYHY-MRXNPFEDSA-N 290.407 1.858 0 50 CDAA COc1ccc(S(=O)(=O)n2cncn2)c2ccccc12 240465926 GBLXOZPPBWNZDV-UHFFFAOYSA-N 289.316 1.677 0 50 CDAA Cc1ccc(C)n1CC(=O)NCCNc1ncccn1 253414962 ZFAFFCCNDXZVFC-UHFFFAOYSA-N 273.340 1.123 0 50 CDAA CCN1CCCN(C(=O)COc2cccc(OC)c2)CC1 299586256 DXFQIBBDYLGQQO-UHFFFAOYSA-N 292.379 1.628 0 50 CDAA Cc1cccnc1[C@H](C)NC(=O)CCCn1cnnn1 534666179 MUMUWAIUFNGORC-NSHDSACASA-N 274.328 1.034 0 50 CDAA Cc1cncnc1C1CCN(C(=O)c2cnccn2)CC1 299760288 IVQVCBGJEXOAES-UHFFFAOYSA-N 283.335 1.595 0 50 CDAA Cc1cnn(CC(=O)N2CC[C@H](C(=O)O)[C@@H]3CCC[C@@H]32)c1 630275209 SPIGVLRDJRZFQO-AVGNSLFASA-N 291.351 1.293 0 50 CDAA Cc1ccc([C@@H](C)NS(=O)(=O)N2CCCC2)cn1 825191300 PBNLWGNRAYEBRV-LLVKDONJSA-N 269.370 1.381 0 50 CDAA CCCCCc1nc(CCN)n(-c2ccncc2)n1 827421783 CXIJUAOVSHSEIC-UHFFFAOYSA-N 259.357 1.896 0 50 CDAA COc1cc(NC2(CN3CCCCC3)CC2)nc(OC)n1 584897711 VTWBKWMMADSAQW-UHFFFAOYSA-N 292.383 1.924 0 50 CDAA Cc1cccc(-n2ncnc2CCc2cnn(C)c2)n1 670449842 IQJYOMAAJLDGLU-UHFFFAOYSA-N 268.324 1.489 0 50 CDAA COCC1(CNC(=O)CCc2n[nH]c(C)c2C)CCC1 670436358 LAKDLKPKOVTWDE-UHFFFAOYSA-N 279.384 1.892 0 50 CDAA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc[nH]c2)C3)n1 685943361 VDZOJALDIMVUHM-WFASDCNBSA-N 286.335 1.900 0 50 CDAA Cc1ccc2c(c1)nc(CNC(=O)c1ncc[nH]1)n2C 1448040696 VHWAWCBVCFRHCB-UHFFFAOYSA-N 269.308 1.535 0 50 CDAA N=c1nc(O)cc([C@@H]2CCN(CCCC3CCC3)C2)[nH]1 630379262 VVLXPZAEJRSSSZ-GFCCVEGCSA-N 276.384 1.964 0 50 CDAA O=C(N[C@@H]1COCc2ccccc21)[C@@H]1CC(C2CC2)=NO1 1875294264 PRDINPHWUPFHBM-CABCVRRESA-N 286.331 1.929 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2 1875277574 RLMFCWPFNREZRG-LYUGOTMTSA-N 279.336 1.266 0 50 CDAA O=C(Nc1ccnn1C1CCCCC1)N1CCOCCN1 878515194 LQLKATCCHBBZCK-UHFFFAOYSA-N 293.371 1.757 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C2CCCC2)C1 958528827 WBHHXFZINGEEKD-WFASDCNBSA-N 284.400 1.876 0 50 CDAA CCCCN(Cc1ccncc1)C(=O)[C@@H]1C=CCN1 952982112 VJYQEQPRPLQNIP-AWEZNQCLSA-N 259.353 1.738 0 50 CDAA CC(=O)N1C[C@H](N[C@H]2CCOC2)CC[C@@H]1C(F)(F)F 886065802 VJBGEHPQNWBAPH-OUAUKWLOSA-N 280.290 1.307 0 50 CDAA C[C@@H]1[C@H](N(C)C)CCN1C(=O)Cc1cccc(C(=O)O)c1 887557373 KDMNKPIWQZABIQ-BXUZGUMPSA-N 290.363 1.478 0 50 CDAA CCOCCN[C@@H](c1ccc(C)nc1)c1cncn1C 888098918 RBPIZONQSIITHW-HNNXBMFYSA-N 274.368 1.839 0 50 CDAA C[C@@H]1NCCN(C(=O)C[C@@H](O)c2ccccc2)[C@H]1C 888096876 UXQMATVNQFZIBY-SGMGOOAPSA-N 262.353 1.319 0 50 CDAA O=C(O)[C@@]1(C(=O)N2CC[C@H](c3ccccc3)C2)CCCO1 888098847 PFSYBKIUZBEEIK-BBRMVZONSA-N 289.331 1.636 0 50 CDAA Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1cc[nH]c1C 1775987723 YBPKRBILFQUIEO-NSHDSACASA-N 286.335 1.784 0 50 CDAA Cc1ccnc(NCc2cn(C[C@@H]3CCOC3)nn2)c1 630950763 BQZOUZRMRLIDGH-LBPRGKRZSA-N 273.340 1.630 0 50 CDAA Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@H]2CCCOC2)cn1 275454365 RKAXDBRLRIOTCC-FPMFFAJLSA-N 293.367 1.183 0 50 CDAA Cc1cccc(OCCN(C)S(=O)(=O)C2COC2)c1 276247495 COGOTXBEFBWZGU-UHFFFAOYSA-N 285.365 1.034 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N1CCN(C)c2ncccc21 276756490 IKLWKBIDAVFCIM-VXGBXAGGSA-N 275.352 1.680 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N1CC(=O)Nc2c(F)cccc21 276914724 QXFJQSSDDUPHIQ-NXEZZACHSA-N 292.310 1.926 0 50 CDAA COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CNCCO1 187275975 ZITZYCUVWFTCHR-CYBMUJFWSA-N 298.770 1.295 0 50 CDAA COCCOCCNC(=O)c1ncc2cc(Cl)ccn12 408523834 VKNCRDNUEPSTRF-UHFFFAOYSA-N 297.742 1.381 0 50 CDAA O=C1CN([C@@H](C(=O)O)C2CC2)Cc2ccccc2N1 635019056 SUZNNKAWASMLMF-CYBMUJFWSA-N 260.293 1.304 0 50 CDAA NCC(F)(F)CNC(=O)[C@@H]1C[C@]12CCc1ccccc12 190256947 QRYWYFDAZRUGHX-JSGCOSHPSA-N 280.318 1.601 0 50 CDAA NC(=O)C1(N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 191488163 OUWFZWYPIFMUAG-JGVFFNPUSA-N 250.264 1.715 0 50 CDAA C[C@@H](C(=O)N1CCc2cccc(C(=O)O)c2C1)n1cccn1 649257366 HFRRZYZUKGIBPU-NSHDSACASA-N 299.330 1.727 0 50 CDAA Cc1c(CN(C)C(=O)[C@H]2CCc3cncn3C2)cnn1C 565775885 BDGXTTLWULQJJM-LBPRGKRZSA-N 287.367 1.146 0 50 CDAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@]1(C(=O)O)CC=CCC1 653308502 LZBTVRFRDXRTBA-WWGRRREGSA-N 292.379 1.493 0 50 CDAA O[C@H](Cc1ccccc1)Cc1cn(C2CCNCC2)nn1 656456606 FOSNDBGVYJIGQQ-MRXNPFEDSA-N 286.379 1.349 0 50 CDAA COc1cc(CN2CCCc3c(C(N)=O)cccc32)on1 660030285 GMAUYJDCKMPKSD-UHFFFAOYSA-N 287.319 1.735 0 50 CDAA CC(C)C[C@H](C(=O)O)N1CCN(c2ncccn2)CC1 575322766 UKOIDSCMGNZERC-GFCCVEGCSA-N 278.356 1.098 0 50 CDAA Nc1nc(COC(=O)c2cncc(O)c2)nc2ccccc12 731916574 XGABUFMKZBZCNZ-UHFFFAOYSA-N 296.286 1.670 0 50 CDAA NC(=O)C[C@@H]1CCN(c2ncccc2Br)C1 585139862 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CNZQFJGTISINOT-UHFFFAOYSA-N 282.315 1.406 0 50 CDAA C[C@@H](C(=O)O)N(C)S(=O)(=O)c1csc2ccccc12 262111851 KOCRQQYHWVKMLC-QMMMGPOBSA-N 299.373 1.995 0 50 CDAA O=C(O)CNC(=O)CN1CCC2(CCCCC2)CC1 262294162 ZHPGLPQBLAVCHO-UHFFFAOYSA-N 268.357 1.234 0 50 CDAA O=C1NC(=S)N/C1=C/c1ccc(Br)cc1 1302795 HFUBCGMGUNUQRG-VMPITWQZSA-N 283.150 1.794 0 50 CDAA C[S@@](=O)c1cccc(NC(=O)C[C@H]2CCCO2)c1 264596441 BZQZAPIYOVJRMY-ADLMAVQZSA-N 267.350 1.932 0 50 CDAA C=CC(=O)Nc1ccc(C(=O)N2CC(COC)C2)cc1 1639335214 PGLFRARGUQZVBZ-UHFFFAOYSA-N 274.320 1.530 0 50 CDAA Cc1nnc2n1C[C@H](CNC(=O)c1cccc(F)c1O)C2 1772816164 GBZXWUHAWIZYIB-VIFPVBQESA-N 290.298 1.034 0 50 CDAA CCOc1cc(C(=S)N2CCOCC2)ccc1O 13130464 DGNXUZXQVCKITP-UHFFFAOYSA-N 267.350 1.799 0 50 CDAA O=C1CC[C@H](c2nc(CCc3ccccc3)no2)CN1 19218373 JVDZILCXFLUJCV-LBPRGKRZSA-N 271.320 1.848 0 50 CDAA Cc1ccc(OCCOCCN2CCN(C)CC2)cc1C 19792407 HAJFEEWJAPETTL-UHFFFAOYSA-N 292.423 1.946 0 50 CDAA CCN(CC)CCNCc1ccc2c(c1)OCO2 19871946 IBSXWHCQMSFCCE-UHFFFAOYSA-N 250.342 1.847 0 50 CDAA CCn1cnnc1CCn1ccnc1-c1ccnc(OC)c1 1857689832 ZHGMXVITWKZCNF-UHFFFAOYSA-N 298.350 1.808 0 50 CDAA CC(C)OC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 225663719 BTTKSVZGNVCDDU-OAHLLOKOSA-N 277.320 1.345 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)C(=O)N=c1cc[nH]cc1 328627585 MYHASROEJGNYJP-LBPRGKRZSA-N 285.351 1.426 0 50 CDAA Cc1c(C(=O)N(C)[C@@H]2CN3CCC2CC3)nnn1C(C)C 328884451 MXJJIUFUKNNWKD-CYBMUJFWSA-N 291.399 1.334 0 50 CDAA CC(C)Oc1ccccc1CC(=O)N1CC[C@H](C(=O)O)C1 236662015 FWBYABGQYDJFNF-ZDUSSCGKSA-N 291.347 1.949 0 50 CDAA O=C1C[C@@H](C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CN1 135192519 GOYFVYKNJINREB-QWHCGFSZSA-N 290.338 1.353 0 50 CDAA CNc1cc(N2CCC[C@@H]2CNc2cnccn2)ncn1 266378823 MTBMNLJUSJQLFP-LLVKDONJSA-N 285.355 1.389 0 50 CDAA COCCN1CCOc2ccccc2[C@@H]1C(=O)O 903929571 ZTSXXSQVXODPOI-GFCCVEGCSA-N 251.282 1.153 0 50 CDAA CC[C@@H](O)[C@H](C)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 913169450 ZUAPQKHTDXIPIB-CIQGVGRVSA-N 255.358 1.014 0 50 CDAA Cc1ccc2n[nH]cc2c1C(=O)N1CCO[C@@H](C)C1 823184100 WOZPAYCHFBMXGC-JTQLQIEISA-N 259.309 1.732 0 50 CDAA Cc1nc2ccccc2nc1NC[C@H]1CN(C)CCO1 113648179 ZBGGFHVMSSXSRP-LBPRGKRZSA-N 272.352 1.681 0 50 CDAA CCc1nn(C)cc1NC(=O)c1cccnc1NC 231092421 DADYYITUYZSONE-UHFFFAOYSA-N 259.313 1.672 0 50 CDAA COc1ccc(OC)c(CN(C)CCN(C)C)c1 22454740 OBSDSTHCZKQASY-UHFFFAOYSA-N 252.358 1.697 0 50 CDAA CCOC(=O)[C@H](C)N1CCC2(CCCN2C)CC1 253392561 GERAJLFMMCNBSM-LBPRGKRZSA-N 254.374 1.498 0 50 CDAA CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccncc2)C1 164536777 BMDSSSDLQHDZCX-ZIAGYGMSSA-N 259.353 1.638 0 50 CDAA CCNc1nc(C)cc(N2CC[C@@H](C)[C@H](CO)C2)n1 700453940 BAZWCVRSWRPNHS-PWSUYJOCSA-N 264.373 1.672 0 50 CDAA Cn1cnc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1 408007941 MCDKCBYLCXHWFG-JTQLQIEISA-N 259.313 1.163 0 50 CDAA C[C@@](O)(CNC(=O)c1csc2cncn12)C(F)(F)F 331509895 ZWLPGRPTGMYMJD-SECBINFHSA-N 293.270 1.439 0 50 CDAA C[C@]1(C(=O)O)CCCN1Cc1nc(CC(F)(F)F)no1 652480373 COAXSZXKUCETTL-SNVBAGLBSA-N 293.245 1.614 0 50 CDAA CC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(N)=O)cc1 574869419 BETHAKCKIYWODN-CYBMUJFWSA-N 274.320 1.369 0 50 CDAA CCN1C(=O)[C@@](O)(Cc2ccncc2)c2ccccc21 4710687 UMZPTKBJKHHUKZ-MRXNPFEDSA-N 268.316 1.878 0 50 CDAA O=C(c1nn(-c2cccc(F)c2)cc1O)N1CC[C@@H]2C[C@H]21 2325796700 FOOPMLAMFRNRPS-BXKDBHETSA-N 287.294 1.951 0 50 CDAA Cn1cc(C(=O)NN2CCOC2=O)c(C2CCCC2)n1 912995254 BSRJZQGBIMDFQV-UHFFFAOYSA-N 278.312 1.175 0 50 CDAA COc1ccc(CNC(=O)NC(=O)C(F)(F)F)cc1 81890 AVYPRRZBRDVAAZ-UHFFFAOYSA-N 276.214 1.583 0 50 CDAA C[C@H](C(=O)N1CCCC1)N(c1ccccc1)S(C)(=O)=O 317923 UTZCFPSGFIIETN-GFCCVEGCSA-N 296.392 1.464 0 50 CDAA O=c1sc2ccccc2n1C[C@@H](O)C[n+]1ccccc1 405483 TXQNSZFBHHFFDY-LBPRGKRZSA-N 287.364 1.412 0 50 CDAA C[C@H](NC(=S)NC[C@H]1CCCO1)c1ccncc1 609506 WSMCYQYINUJDKG-CMPLNLGQSA-N 265.382 1.786 0 50 CDAA CC(=O)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 1242869 UBOMMBJQZOVVPM-QMMMGPOBSA-N 257.297 1.890 0 50 CDAA NC(=O)Cc1ccc(OCc2cccc3ncnn23)cc1 2356158280 GXBPSOJDLVEDGA-UHFFFAOYSA-N 282.303 1.336 0 50 CDAA Cc1ccc(N([C@@H](C)C(=O)O)S(C)(=O)=O)cc1C 4806091 YKIGSZWKAUAIID-JTQLQIEISA-N 271.338 1.543 0 50 CDAA O=C(O)[C@]1(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C(=O)O 6691774 INNWMPOVQLXWJE-PHDIDXHHSA-N 279.890 1.814 0 50 CDAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(F)c1 55008586 GJQULNRFXWORNU-CYBMUJFWSA-N 294.326 1.079 0 50 CDAA C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cnnn2)cc1 20427004 PZCWAVISVDNOJB-SMDDNHRTSA-N 285.351 1.971 0 50 CDAA Cc1ccc(C2(O)CCN(C(=O)[C@@H]3CCOC3)CC2)nc1 67954852 NESQUJCOLBUXDY-CYBMUJFWSA-N 290.363 1.237 0 50 CDAA O=C(Cc1ccc2c(c1)OCCO2)N1CCc2cnccc21 118709153 UQUBPCQJNSLUGT-UHFFFAOYSA-N 296.326 1.985 0 50 CDAA C[C@H](C(=O)O)n1cc(-c2ccc(C(N)=O)cc2)cn1 67691756 HOQNWSPPVXRRED-MRVPVSSYSA-N 259.265 1.295 0 50 CDAA CC(=O)CCc1ccc(OCCN2CCN(C)CC2)cc1 20652913 OJSIOSUEFIMNET-UHFFFAOYSA-N 290.407 1.834 0 50 CDAA Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1C[C@H]1C(=O)O 252646637 SCTNJWZDKOSORY-WLGLDCGKSA-N 252.270 1.189 0 50 CDAA CC(C)c1cc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)no1 72138814 ULYFNWHNEHZAPJ-AWEZNQCLSA-N 293.323 1.465 0 50 CDAA CC[C@@H](C(=O)N(C)C)N(c1cccc(C)c1)S(C)(=O)=O 67613655 HABGKSYKTMHROU-ZDUSSCGKSA-N 298.408 1.628 0 50 CDAA CN(C)c1cccc(C(=O)NCCCc2cnn(C)c2)c1 219314573 XLBBFYHMBNRIEM-UHFFFAOYSA-N 286.379 1.849 0 50 CDAA CC(=O)N(C[C@H]1CCCN1CCCn1ccnc1)C1CC1 328645212 SCZZVGMFOUOKJG-MRXNPFEDSA-N 290.411 1.749 0 50 CDAA O=C(NCC1(CCO)CCC1)c1cccnc1S 154477311 CGISMKRQEKBPGD-UHFFFAOYSA-N 266.366 1.653 0 50 CDAA CNC[C@@H]1C[C@H](F)CN1C(=O)c1cccc(COC)c1 367374123 FXOGKKQKPXVROR-KBPBESRZSA-N 280.343 1.605 0 50 CDAA Cc1cc(CN2CC[C@@H](CC(N)=O)C2)ccc1F 368133652 JMAJJIHLAGUNKI-LBPRGKRZSA-N 250.317 1.831 0 50 CDAA O=C(c1cncnc1C1CC1)N1CCCc2n[nH]cc21 333430178 KWSYGFUVXFZRPU-UHFFFAOYSA-N 269.308 1.670 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)cc2)CCN1 237660643 DUPCZGJNVKWHAI-CYBMUJFWSA-N 284.363 1.365 0 50 CDAA COc1ccccc1OC1CN(C[C@H]2CCNC2)C1 77471921 WNGMDULOYUQCPZ-LBPRGKRZSA-N 262.353 1.368 0 50 CDAA CCc1nc(CCNC(=O)[C@@H]2C[C@H]2C(=O)O)cs1 262570314 CJPSBXGQRKAAAH-RKDXNWHRSA-N 268.338 1.085 0 50 CDAA CCc1[nH]nc(C(=O)N2CC(C)C2)c1Br 334239072 KNADBJSXSILXHV-UHFFFAOYSA-N 272.146 1.827 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CCC[C@@H]3N)C2)no1 237772986 AQKNJRXWKBYTJP-AVGNSLFASA-N 292.383 1.287 0 50 CDAA Cc1noc(C)c1CCCNC(=O)CCn1ccnc1C 219533736 WYYCTJFHOFNJQP-UHFFFAOYSA-N 290.367 1.935 0 50 CDAA CCc1cc(CN2CCC[C@](O)(CN(C)C)CC2)on1 72133620 UJSAQHNZLFRTHH-OAHLLOKOSA-N 281.400 1.516 0 50 CDAA CC(=O)N[C@H](COC(C)=O)[C@@H](OC(C)=O)c1ccccc1 71771172 XAZHLTMHHNBGPO-CABCVRRESA-N 293.319 1.359 0 50 CDAA OC[C@@H]1C[C@H](O)CN1CCn1ccc2cc(Cl)ccc21 289322445 GJIVVPRRYNOZAN-KBPBESRZSA-N 294.782 1.722 0 50 CDAA Cc1nc(CNC(=O)c2cnccn2)nc2c1CCCC2 220154982 YPFUVBRNPNWCRW-UHFFFAOYSA-N 283.335 1.384 0 50 CDAA O=C(COc1ccc(F)cc1F)N1CC[C@]2(CCOC2)C1 177004657 IRSVPKOWXWCJDG-HNNXBMFYSA-N 297.301 1.983 0 50 CDAA CNC[C@@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 179011527 TVRAPDFLXCCHHK-GFUIURDCSA-N 262.328 1.907 0 50 CDAA O=C(O)CCCC(=O)NC[C@H]1CCN(C2CCCC2)C1 426358959 HFUMWXRCERYLMV-GFCCVEGCSA-N 282.384 1.622 0 50 CDAA Cc1cc(C)c2c(N[C@@H]3CC[C@@H](N)C3)ncnc2n1 95388272 VWDJZIVXDSUXDL-GHMZBOCLSA-N 257.341 1.933 0 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COc1ccccc1CN(CCO)CCn1nccc1C 244873585 WSMQLYJZWRCMHA-UHFFFAOYSA-N 289.379 1.695 0 50 CDAA NC(=O)[C@@H]1CN(c2nc3ccccc3[nH]2)C[C@H]1C(F)(F)F 299740827 BYSNCNMQMCHBFI-HTQZYQBOSA-N 298.268 1.663 0 50 CDAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H]1CCNC1 299739578 QHYBCUIODLFKTP-VDERGJSUSA-N 288.391 1.973 0 50 CDAA COc1nc(C(=O)N2CC(C)(C)[C@H]2[C@@H]2CCCO2)co1 627351571 WPMJFJPUMNJAGH-WDEREUQCSA-N 280.324 1.713 0 50 CDAA Cc1ccc2oc(C(=O)N3CCOC[C@@H]3C(=O)O)cc2n1 268978372 LGLGRECNXSKYPJ-SNVBAGLBSA-N 290.275 1.062 0 50 CDAA OCC1=C(CO)[C@H]2C3(CCCC3)[C@H]1[C@@H]1[C@H]3CC[C@@H](C3)[C@@]12O 257355740 CJSJHEQXWQNZQZ-QYIYVPMESA-N 290.403 1.865 0 50 CDAA Cc1cnn([C@@H](C)CNC(=O)c2ccc(O)cn2)c1 534588989 QQHHALSBQZCXIX-JTQLQIEISA-N 260.297 1.283 0 50 CDAA Cc1cccc([C@H](CNC(=O)c2cc(=N)[nH][nH]2)N(C)C)c1 534646032 YXQRIVABEKMPPI-ZDUSSCGKSA-N 287.367 1.163 0 50 CDAA O=C(C[C@H]1CC1(F)F)NCC1(Cn2ccnc2)CC1 534633033 BNKLRWKHYCWXPT-JTQLQIEISA-N 269.295 1.825 0 50 CDAA CC(C)c1nc(CCNC(=O)CCCc2cn[nH]c2)no1 299801770 YXORFZZIIIIZBI-UHFFFAOYSA-N 291.355 1.598 0 50 CDAA CN1CCN(C(=O)Nc2cccc3cccnc23)CCC1=O 299796418 NTCGSHWXXLAKFS-UHFFFAOYSA-N 298.346 1.931 0 50 CDAA COc1ccccc1OCCC(=O)N1CC[C@@H](C(=O)O)C1 269217663 YWZRUFLMNXWDDE-LLVKDONJSA-N 293.319 1.397 0 50 CDAA CCc1noc(CCNC(=O)COCc2ccccc2)n1 584898299 BKPNEDFWZNHGDL-UHFFFAOYSA-N 289.335 1.508 0 50 CDAA CCCCOCC(=O)N1CCC(O)(CN2CCCC2)CC1 584892990 PJTLEOWKPPFNGP-UHFFFAOYSA-N 298.427 1.252 0 50 CDAA N=c1[nH]c(CCCn2cnc3ncccc3c2=O)cs1 584885921 INIBLDPLUQENLD-UHFFFAOYSA-N 287.348 1.293 0 50 CDAA C[C@@H](Cn1cnc2ccncc2c1=O)Oc1cccnc1 584884292 WVASQPMANQGCBJ-NSHDSACASA-N 282.303 1.654 0 50 CDAA CCCS(=O)(=O)N(C)CCc1nc2ccc(F)cc2[nH]1 670440760 SAFQQWNWYHCIOZ-UHFFFAOYSA-N 299.371 1.916 0 50 CDAA CN(CC1(CO)CCCC1)C(=O)CCN1CCCCC1=O 584892974 VLBVBURMQWJYKJ-UHFFFAOYSA-N 296.411 1.400 0 50 CDAA COc1nc(N(C)CCCCN2CCOCC2)ncc1F 670465637 DWLSIDISGQXUCD-UHFFFAOYSA-N 298.362 1.173 0 50 CDAA CCC[C@H](CNC(=O)Cc1ccc(CO)cc1)N(C)C 670448644 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COC1CC(N[C@@H]2CS(=O)(=O)c3ccccc32)C1 221242452 PTEDWGXIZLNZAX-RTYFJBAXSA-N 267.350 1.282 0 50 CDAA CC[C@H]1CCN(C(=O)Cn2c(C)nc3ccccc3c2=O)C1 225465072 RUQIOULHYIPKKT-ZDUSSCGKSA-N 299.374 1.963 0 50 CDAA COCCn1ccc(C(=O)N2CCOc3ccccc32)n1 190672307 JKIXSAJLZPQMKS-UHFFFAOYSA-N 287.319 1.569 0 50 CDAA CC(C)Oc1nccnc1N1CCC[C@](C)(C(=O)O)C1 565039763 DDNGQTRGDZXUKI-AWEZNQCLSA-N 279.340 1.955 0 50 CDAA O=C(O)CN1CC[C@@H](Oc2ccc(Cl)cc2)C1=O 663220106 XKHUEJMXTXFBJE-SNVBAGLBSA-N 269.684 1.404 0 50 CDAA CO[C@@]1(CO)CCCN(C(=O)NCc2cccc(C)c2)C1 663574745 HQNZWJFVGRNGAK-INIZCTEOSA-N 292.379 1.678 0 50 CDAA CC(C)OC[C@H]1CN(c2cc(CO)c(F)cn2)CCO1 663815234 VZDYRXQINJYVHS-GFCCVEGCSA-N 284.331 1.343 0 50 CDAA Cc1nocc1S(=O)(=O)N[C@@H](C)Cc1c(C)noc1C 583651973 WMJNFDOGXXHQKR-ZETCQYMHSA-N 299.352 1.497 0 50 CDAA CC1CCC2(CC1)OC[C@@H](CNCc1cnn(C)c1)O2 584908412 FOODVLUAMFLOPU-HNFVBEJKSA-N 279.384 1.832 0 50 CDAA C=CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 585086949 XXBKSLFIYGNUSG-HTQZYQBOSA-N 282.369 1.366 0 50 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COCC(=O)NCc1cccnc1N(C)Cc1ccccc1 19145064 CRXCNAPLFSXDRF-UHFFFAOYSA-N 299.374 1.981 0 50 CDAA O=c1c2cnc3ncnn3c2ccn1-c1cccc(F)c1 19959135 DHIHFISDRVUYBY-UHFFFAOYSA-N 281.250 1.568 0 50 CDAA Cc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1C 169295796 BJWYYOGYFQTPEZ-MQYQWHSLSA-N 287.315 1.896 0 50 CDAA Cc1ccc2c(C(=O)N3C[C@H](O)CC3(C)C)cnn2c1C 1857533048 SDBPQPVMKNUEDZ-GFCCVEGCSA-N 287.363 1.937 0 50 CDAA O=C(O)[C@@H](c1ccsc1)N1CCC[C@H](n2cncn2)C1 568402532 LVSBTUDUCQRVQA-NWDGAFQWSA-N 292.364 1.802 0 50 CDAA O=C(N1CCOCC2(CC2)C1)C(F)(F)C1(O)CCCC1 328586971 UPCBVRVRNKVANP-UHFFFAOYSA-N 289.322 1.566 0 50 CDAA CC[C@@H]1CC[C@@H](C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)O1 328639256 WUVAQHWJPBUQGV-AGIUHOORSA-N 292.383 1.182 0 50 CDAA CN(C)C(=O)C[C@@]1(O)CCCN(CCC2CCOCC2)C1 643812969 XHRSXZBUULEUTM-INIZCTEOSA-N 298.427 1.108 0 50 CDAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](C(=O)O)C2)c1 237307219 IFQJUOVNRFIXLI-KWCYVHTRSA-N 289.331 1.732 0 50 CDAA CSCC(C)(C)C(=O)N1CCC[C@@H](Cn2cncn2)C1 253397177 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C[C@H]1COCCN1CCNC(=O)c1sccc1F 339956359 XDCMHIKBRJPAQE-VIFPVBQESA-N 272.345 1.338 0 50 CDAA COC[C@@H]1CCCCN1C(=O)CCn1cc(C)cn1 456953805 ZXUACASTHKWHGZ-ZDUSSCGKSA-N 265.357 1.609 0 50 CDAA Cc1ncsc1CN(C)c1ccnc(S(N)(=O)=O)c1 1615613001 DSBCBAKNAVJNOQ-UHFFFAOYSA-N 298.393 1.130 0 50 CDAA Cc1ncnc(N2CCSC[C@@H]2c2cnn(C)c2)c1F 1615622389 NIFZZNYIVZEAQX-LLVKDONJSA-N 293.371 1.952 0 50 CDAA O=C(C[C@H]1CNCCO1)NCc1ccc2sccc2c1 215944836 PJAQRHWJNIYTGE-ZDUSSCGKSA-N 290.388 1.896 0 50 CDAA CC1CCC(=CC(=O)N2C[C@H](O)C[C@H]2CO)CC1 375392495 RBNVEODBPUQXBJ-HEVMSJOKSA-N 253.342 1.077 0 50 CDAA CC[C@@H]1COCc2nnc(-c3cn(CC)nc3C)n21 1772816685 ZBZMMIBSDHIKIE-SNVBAGLBSA-N 261.329 1.951 0 50 CDAA O=C(Cc1nc(-c2ccncc2)n[nH]1)NC1CCCC1 12421805 MSRQUZFXTOBFCK-UHFFFAOYSA-N 271.324 1.468 0 50 CDAA CCN1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 12718385 AQNSOVOIMRZZSQ-ZDUSSCGKSA-N 286.339 1.085 0 50 CDAA O=C(NCc1nc2ncccc2o1)c1cncc(F)c1 1857680601 LTFHOJJHUSXLSE-UHFFFAOYSA-N 272.239 1.687 0 50 CDAA Cn1c(=O)c(-c2nccn2[C@H]2CCNC2)cc2ccccc21 1857693631 FMZUHQJMIVSEOJ-ZDUSSCGKSA-N 294.358 1.936 0 50 CDAA CCc1nc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)n[nH]1 253396226 MEMFFCPTPMYDFC-OLZOCXBDSA-N 290.342 1.814 0 50 CDAA O=c1c2ccc(F)cc2ncn1C[C@]1(O)CCCOC1 656694525 QYUDHJPKIBZIDI-CQSZACIVSA-N 278.283 1.077 0 50 CDAA CCC[C@]1(CO)CCN(Cc2cccnc2N)C[C@@H]1O 1875246318 LLJQYICPBVGRLK-DZGCQCFKSA-N 279.384 1.009 0 50 CDAA N=c1nc(N2CCCC2)cc(-c2cccc(CC(=O)O)c2)[nH]1 1875248498 UKUFAAGZNIWEOS-UHFFFAOYSA-N 298.346 1.783 0 50 CDAA CC(=O)NCCOc1cc(C)cc(OCCNC(C)=O)c1 670426386 MRNWGQABAVFORC-UHFFFAOYSA-N 294.351 1.025 0 50 CDAA Cc1cc(C(=O)N2CCN(c3cccc(O)c3)CC2)on1 136044355 XOTVFQOILCFTPI-UHFFFAOYSA-N 287.319 1.651 0 50 CDAA COc1cc(C(=O)NC[C@@H]2CNCCCO2)ccc1Cl 578126603 DWYIFYAKENZQBH-NSHDSACASA-N 298.770 1.457 0 50 CDAA O=C(O)CN(Cc1ccccc1)C(=O)CC1CCOCC1 262104453 DTSCYDSRODLPDU-UHFFFAOYSA-N 291.347 1.917 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CCCCN(C)C2=O)c(O)n1 585141132 QBMRVSZXNURPBE-JTQLQIEISA-N 277.324 1.293 0 50 CDAA O=C(Nc1cccc(N2CCOCC2)c1)c1cocn1 591148519 VORHYWORQBTGHB-UHFFFAOYSA-N 273.292 1.764 0 50 CDAA NCc1nnc(N2CCC(c3ccccc3)CC2)o1 1772711838 KSPQHWMVNJFOMM-UHFFFAOYSA-N 258.325 1.912 0 50 CDAA CC1(C)CC[C@@H](C(=O)N2CCC(CC(=O)O)CC2)NC1 1875275696 VNKZRNQEMNBVAX-LBPRGKRZSA-N 282.384 1.478 0 50 CDAA COc1nnc(NC(=O)[C@@H](C)c2cccc(O)c2)s1 827954902 PZCIRZNYTOMWIU-ZETCQYMHSA-N 279.321 1.995 0 50 CDAA CNc1cc(C(=O)N2C[C@@H](F)C[C@H]2CN)cc(Cl)n1 834556471 FYSCGVQWDLICHY-IUCAKERBSA-N 286.738 1.288 0 50 CDAA CC(C)(C)OC(=O)NCC12CC(C(=O)O)(CCO1)C2 1857778314 XPOGLQOLPHOJAL-UHFFFAOYSA-N 271.313 1.535 0 50 CDAA Nc1cncc(N2CCN(c3ccccc3F)CC2)n1 111177185 ZLWCBVFQUFWPHS-UHFFFAOYSA-N 273.315 1.525 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc2[nH]ccc2c1 223894850 VXFCTSYRUODGOP-CHWSQXEVSA-N 260.293 1.048 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)c(C)c1 228343349 NEDHRMKVHVTUFR-CHWSQXEVSA-N 282.409 1.804 0 50 CDAA CCNCCNS(=O)(=O)c1cccc2ccccc12 123646622 UKADMEUJOMEASX-UHFFFAOYSA-N 278.377 1.728 0 50 CDAA COCc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)C2)cc1 263349512 VEIMYYSFUNHFPL-TXEJJXNPSA-N 263.293 1.426 0 50 CDAA O=C(O)C1(NCc2cccc3c2OCCO3)CCCC1 284166655 JDXJBGQPDLKYMH-UHFFFAOYSA-N 277.320 1.945 0 50 CDAA CC1(C(=O)O)CCN(CCn2cc(Cl)cn2)CC1 312878353 MEBGKKFFDSZWNP-UHFFFAOYSA-N 271.748 1.723 0 50 CDAA Cc1ccc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)c(O)n1 829362128 IJLTYWXPMZBEGC-SSDOTTSWSA-N 292.213 1.231 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)c1cnc(O)c(C)c1 2325864330 MHYBUKWSTUDYJH-UHFFFAOYSA-N 289.291 1.771 0 50 CDAA Cc1[nH]nc(NC(=O)C(C)(C)N2CCOCC2)c1C 900549183 GONXHXCWPVGJHE-UHFFFAOYSA-N 266.345 1.076 0 50 CDAA CC(=O)CS(=O)(=O)c1ccc(Br)cc1 50468 WTKPZEDECIGKFG-UHFFFAOYSA-N 277.139 1.812 0 50 CDAA Cc1cc(C)nc(Nc2ccc(S(N)(=O)=O)cc2)n1 150142 UQTQNRRKIZITLX-UHFFFAOYSA-N 278.337 1.484 0 50 CDAA O=S(=O)(NCc1cccnc1)c1ccc(F)cc1 231418 SFLFFCMXLRJETD-UHFFFAOYSA-N 266.297 1.699 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)O)cc1 390729 WVCKOBQPSKPTQX-SECBINFHSA-N 257.311 1.089 0 50 CDAA C[C@@]1(c2ccccc2)NC(=O)N(Br)C1=O 406036 TXBUUBUPOLSUKO-JTQLQIEISA-N 269.098 1.764 0 50 CDAA COc1ccccc1NC(=S)NCC(OC)OC 472861 HWRSSSDINQCADG-UHFFFAOYSA-N 270.354 1.601 0 50 CDAA Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)no1 482509 UDCMCXJTNTUNIW-NSHDSACASA-N 285.303 1.975 0 50 CDAA Cc1ccc(N([C@@H](C)C(=O)N(C)C)S(C)(=O)=O)cc1 1076160 PRIVZLCUAINGMZ-NSHDSACASA-N 284.381 1.238 0 50 CDAA CCC[C@@H]1CN(c2nc(C(=O)O)cs2)C[C@H]1C(=O)O 2356140311 DIXCHRHVFASWEZ-HTQZYQBOSA-N 284.337 1.778 0 50 CDAA C[C@@]1(C(=O)O)CN(Cc2ccccc2)C[C@@H]1C(=O)O 4203249 JGJXGCZDMHNSGH-BXUZGUMPSA-N 263.293 1.294 0 50 CDAA CC1(C)[C@@H]2CC[C@]13CS(=O)(=O)N1O[C@]13C2(Cl)Cl 4521381 HAMBQYFZDBYWHU-CNLAJYNUSA-N 298.191 1.883 0 50 CDAA in-vitro CCOC(=O)C(=O)Nc1nnc(CC(C)C)s1 4553305 BBIMPHRRXVJCFQ-UHFFFAOYSA-N 257.315 1.238 0 50 CDAA COc1cc(S(=O)(=O)NC2CC2)c(OC)cc1Cl 4727612 RYGWHFOBWUAZDA-UHFFFAOYSA-N 291.756 1.798 0 50 CDAA O=C(CCNS(=O)(=O)c1ccccc1)N1CCCCC1 4832302 XFECDNKEBLWTEH-UHFFFAOYSA-N 296.392 1.368 0 50 CDAA O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCCC1 4833133 WTPDEQSAPVJZSP-LBPRGKRZSA-N 258.321 1.662 0 50 CDAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N2CCOCC2)C1 6726504 SJWYJMJTBMPVLL-NWDGAFQWSA-N 267.325 1.292 0 50 CDAA COC(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O 100033586 PAIDZDPOJWEZLX-UHFFFAOYSA-N 267.668 1.684 0 50 CDAA O=C1C(=O)N(CCc2ccccc2)[C@H]2C=CC=C[C@H]12 22184789 QKBWRAHZDHESIC-KBPBESRZSA-N 253.301 1.751 0 50 CDAA CCOc1ccc(NC(=O)CN2CCN(CC)CC2)cc1 20608834 YDVUHHVBLNRSBE-UHFFFAOYSA-N 291.395 1.661 0 50 CDAA O=C(O)CNc1ccccc1C(=O)NCCN1CCCC1 55167219 NVVSRMCQNMUPSA-UHFFFAOYSA-N 291.351 1.009 0 50 CDAA C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(Cl)o1 113085556 KKZORXWJZGSBBW-JGVFFNPUSA-N 293.772 1.827 0 50 CDAA Cc1cc(C)n(CCN[C@H](C)Cn2ccnc2C)c(=O)n1 67819232 FONPFQPZMHPHGC-GFCCVEGCSA-N 289.383 1.043 0 50 CDAA Cc1cc(N(C)CC2(CO)CCC2)nc(N(C)C)n1 65398115 QVKXJCPYQVQETF-UHFFFAOYSA-N 264.373 1.450 0 50 CDAA COc1ccc(C(=O)NCCc2cnc3ccccn23)o1 20452968 JCNOHQKLTXTQQL-UHFFFAOYSA-N 285.303 1.908 0 50 CDAA Cn1ccnc1-c1csc(NC(=O)C2CCOCC2)n1 118956870 AOCMHORXMOORMW-UHFFFAOYSA-N 292.364 1.909 0 50 CDAA CCN1CCC(CC(=O)NC[C@@H](O)c2cccnc2)CC1 65466704 QIPYCMLBDDHQAN-OAHLLOKOSA-N 291.395 1.353 0 50 CDAA OCCn1ncc2c1CN(c1ncccc1C(F)(F)F)C2 67642464 IVLQFGNNVWDEQC-UHFFFAOYSA-N 298.268 1.809 0 50 CDAA CCNc1ncc(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)s1 252511206 DYJXQYDBNJPIIZ-UXCLJVHYSA-N 295.408 1.712 0 50 CDAA c1coc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1 252537422 LDJMKGFQWLSYNA-MWLCHTKSSA-N 261.281 1.865 0 50 CDAA CN(CC(=O)O)C(=O)c1ccc(N2CCCCC2=O)cc1 237170411 XNJRLSZIAYMTID-UHFFFAOYSA-N 290.319 1.360 0 50 CDAA COc1ccnc(N[C@@H]2CCCN(c3cccnc3)C2=O)n1 253426781 PIVKWUJFIUPOLQ-GFCCVEGCSA-N 299.334 1.488 0 50 CDAA CC1(C)CN(C(=O)CCc2ccc(C(=O)O)cc2)CCO1 236634438 PVXNXJGCVIDGKL-UHFFFAOYSA-N 291.347 1.955 0 50 CDAA CCc1cc(N(C)CCN(C)C)n2nc(C)c(C)c2n1 77320054 SRDQFSAPHOZDJM-UHFFFAOYSA-N 275.400 1.906 0 50 CDAA CSCC(=O)NCCc1noc(C(F)(F)F)n1 215093842 PKDHRYFXRMMCSO-UHFFFAOYSA-N 269.248 1.110 0 50 CDAA Cc1ccc(N2CCN(Cc3ccccc3CO)CC2)nn1 32587395 AZFGTWCKZMUPFF-UHFFFAOYSA-N 298.390 1.600 0 50 CDAA COc1cccnc1N1C(=O)[C@H]2CCCCCN2C1=O 367658738 QOUFUNHAVLSBGW-SNVBAGLBSA-N 275.308 1.801 0 50 CDAA CC[C@H]1CCCN(C(=O)NCc2nc3ncccn3n2)C1 334132125 VEEMDCSBNJXBQU-NSHDSACASA-N 288.355 1.456 0 50 CDAA CC(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CC(N)=O 32497941 LDZYFIDPVYLPIO-JTQLQIEISA-N 288.351 1.355 0 50 CDAA COCCN(Cc1ccc(C)s1)C[C@]1(O)CCNC1 77407620 GPNVOLGOMSEJJI-AWEZNQCLSA-N 284.425 1.229 0 50 CDAA COCc1ncsc1C(=O)N[C@@]1(C)CCOC1 285626633 NAFMIFWHNGBQFB-NSHDSACASA-N 256.327 1.198 0 50 CDAA Nc1nnc(CCCNC(=O)CCC(F)(F)F)s1 219352425 LIHXGCMIBQQCLE-UHFFFAOYSA-N 282.291 1.512 0 50 CDAA O=C1C[C@]2(CCN(C(=O)C3(C4CCC4)CCC3)C2)CN1 335250578 BYHYLXYIABCAJR-OAHLLOKOSA-N 276.380 1.695 0 50 CDAA NCCN(Cc1ccsc1)[C@@H]1CC12CCNCC2 262146964 QOHUFLIOGHNMRY-CYBMUJFWSA-N 265.426 1.651 0 50 CDAA O=C(c1cn[nH]c1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 335772524 FBAGQKOEMICRML-GWCFXTLKSA-N 293.273 1.636 0 50 CDAA 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COc1ccccc1OCC(=O)N1CCC[C@H](OC)C1 76248397 VUAVCWNDHJBJPJ-LBPRGKRZSA-N 279.336 1.711 0 50 CDAA CC[C@H](C)OCC(=O)N(C)[C@@H]1CCN(CC)C[C@H]1C 246748778 PZEIRGNHXSZMQJ-HZSPNIEDSA-N 270.417 1.990 0 50 CDAA Cc1nc(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)c[nH]1 263419787 KVYZGZXJFLUXIY-USWWRNFRSA-N 277.324 1.576 0 50 CDAA O=C(NS(=O)(=O)C1CC1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 529041093 BQPICGZLXBYCMI-CHWSQXEVSA-N 297.351 1.928 0 50 CDAA COCCOCC(=O)Nc1ccc2nc(S)oc2c1 160735008 ZDGZQQPAPGJVRB-UHFFFAOYSA-N 282.321 1.718 0 50 CDAA CC1(c2nc(=NC(=O)CC(F)(F)F)s[nH]2)CC1 529703796 GKFBSBRPNCZEJZ-UHFFFAOYSA-N 265.260 1.902 0 50 CDAA Cc1cnc(C(=O)N(C)Cc2c(C)noc2C)cn1 46407969 DWYUDKQKRMWIBQ-UHFFFAOYSA-N 260.297 1.662 0 50 CDAA COCCN(Cc1ccccn1)C(=O)C[C@@H]1CCCOC1 426593592 GMFWJRSERBWNEA-AWEZNQCLSA-N 292.379 1.873 0 50 CDAA COCCCNC(=O)[C@H](C)Oc1ccc(F)cc1 45163081 DGNBYTZOYAGGRR-JTQLQIEISA-N 255.289 1.746 0 50 CDAA CCOCCC(=O)N[C@H]1CCCN(Cc2cccnc2)C1 222458887 GQPKWNRXIPVMKO-HNNXBMFYSA-N 291.395 1.589 0 50 CDAA Cn1nc(I)c2c(Cl)ncnc21 143993906 BNIWEIXFHXCBBD-UHFFFAOYSA-N 294.483 1.621 0 50 CDAA Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@@H](C)n1ccnc1 426403462 FHFBTGIYLSBETK-CYBMUJFWSA-N 289.383 1.875 0 50 CDAA CCOC(=O)c1cnc(Cl)nc1C(=O)OCC 90470946 VHQAZEHEYSOONS-UHFFFAOYSA-N 258.661 1.483 0 50 CDAA O=C1CCCCN1CCc1nc([C@H]2CCOC2)no1 96152802 CNWYZRVIXUOZFE-JTQLQIEISA-N 265.313 1.129 0 50 CDAA Cc1ccn2c(C(=O)N3C[C@H]4CC[C@H]3C4)nnc2n1 426604656 VXUWYFGRMCBJJF-UWVGGRQHSA-N 257.297 1.057 0 50 CDAA Cc1cc(C(F)(F)F)cc(=O)n1CCN1CCOCC1 95380922 YPQSBXUOILQYDJ-UHFFFAOYSA-N 290.285 1.508 0 50 CDAA O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CC=C[C@H]1CO 91997624 MGDVGPSYMDGIBK-ZDUSSCGKSA-N 296.326 1.415 0 50 CDAA Cc1ccc(-c2nc(CN3C(=O)CCNC3=O)no2)cc1 95507073 OZWAQFQXAUYICI-UHFFFAOYSA-N 286.291 1.487 0 50 CDAA NC(=O)c1ccnc(C[C@@H]2COc3ccccc3C2)c1 91636625 BVCOARPCLDWDIJ-LLVKDONJSA-N 268.316 1.974 0 50 CDAA Cc1nonc1OCCNc1ncnc2cc(F)ccc12 91757066 FLPGLQRLUDWZBW-UHFFFAOYSA-N 289.270 1.951 0 50 CDAA c1cc(CN[C@H]2CCSC2)cc(-c2nnn[nH]2)c1 95220660 YLLHVGFGTBOLPF-NSHDSACASA-N 261.354 1.462 0 50 CDAA O=C(c1cccc(-n2cnnc2)c1)N1CCSCC1 91725070 RSUNREXJFMQRKQ-UHFFFAOYSA-N 274.349 1.456 0 50 CDAA O=C(Nc1ccc(F)c(F)c1)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 239184825 RAUJJXSCNLQUIA-KKOKHZNYSA-N 295.241 1.558 0 50 CDAA O=C(O)[C@H](O)c1ccccc1I 238720009 OVMORXHSBKENPM-SSDOTTSWSA-N 278.045 1.409 0 50 CDAA Cc1nc(CCN(C)C[C@H]2COCCO2)cs1 244882577 XUKRSXCHMCAMBK-LBPRGKRZSA-N 256.371 1.341 0 50 CDAA c1ccc(COC2CCN(C[C@H]3COCCO3)CC2)nc1 244723644 MEYQQQPFPQEDIR-INIZCTEOSA-N 292.379 1.478 0 50 CDAA CN1CC[C@H](Nc2ccc3nncn3n2)[C@H]1c1ccccc1 297398204 FOIPMNMDMZIAGT-XJKSGUPXSA-N 294.362 1.982 0 50 CDAA CN(CCc1cnn(C)c1)CCN1C[C@H]2CC[C@@H]1C2 243902142 BGUVKIYIBXQYDI-DZGCQCFKSA-N 262.401 1.379 0 50 CDAA Cn1ncc(C(=O)O)c1C(=O)N1CC[C@H](c2ccccc2)C1 863981909 UONZKJPGZJTKGH-LBPRGKRZSA-N 299.330 1.748 0 50 CDAA Cc1cnccc1N1CCN(c2ncc(F)cn2)CC1 359572356 AZXCSWXNUDIWEN-UHFFFAOYSA-N 273.315 1.646 0 50 CDAA Cc1cc(C)n(CCCC(=O)NCCc2nccn2C)n1 534577319 WGMVAKSXRFJQIR-UHFFFAOYSA-N 289.383 1.373 0 50 CDAA Cn1cc(CCC(=O)NC2CCC(C(=O)O)CC2)cn1 262184045 RGCGJAWSQBYWMD-UHFFFAOYSA-N 279.340 1.112 0 50 CDAA O=C(O)CCn1cc(CN2CCc3sccc3C2)cn1 534575971 MCUFMRHUSVXUSN-UHFFFAOYSA-N 291.376 1.978 0 50 CDAA COCC1(CNC(=O)[C@H]2CCCN(C)C2)CCCC1 534649171 FNZBIUMNYZSSGH-ZDUSSCGKSA-N 268.401 1.651 0 50 CDAA COC(C)(C)C(=O)NC[C@@H]1CCN(C2CCCC2)C1 534660556 SEUVSOTYNXGFEG-LBPRGKRZSA-N 268.401 1.792 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)c1cnc(C2CC2)nc1 636069838 ADVTVNMCYTUKSX-UHFFFAOYSA-N 271.324 1.658 0 50 CDAA CC1=CC[C@@H]2CN(Cc3nc(O)c4cnn(C)c4n3)C[C@@H]2C1 299794596 LCESCXVEIPSJBG-NEPJUHHUSA-N 299.378 1.857 0 50 CDAA c1cc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)ccn1 299775033 KGZHEVGIMBFJTL-KBPBESRZSA-N 271.324 1.019 0 50 CDAA Clc1cccnc1N1CC[C@H]2[C@H](C1)OCc1cnnn12 299757676 MGHNFROUZHMUBB-RYUDHWBXSA-N 291.742 1.677 0 50 CDAA CC[C@H](c1cc(C)ccn1)n1cnc2nccnc2c1=O 584893542 KGCYZTUNKAQICC-GFCCVEGCSA-N 281.319 1.889 0 50 CDAA O=C(O)C1=NN(c2ccccc2)[C@H](C(=O)NCC2CC2)C1 585134231 JDOYGIIULOUYRT-ZDUSSCGKSA-N 287.319 1.232 0 50 CDAA C[C@H](Cn1cncn1)C(=O)N1CCC(F)(F)CC1 820621587 XDZLZCXAJCJIHA-SECBINFHSA-N 258.272 1.172 0 50 CDAA NC(=O)Cc1nc([C@@H]2CC=CCC2)n(-c2ccncc2)n1 826842231 OFRBPYNKKWRVRI-LLVKDONJSA-N 283.335 1.514 0 50 CDAA Cc1cc(C(=O)N(C)CC2(CO)CCC2)c(O)cn1 584890224 YWRLGTBLRPBWCE-UHFFFAOYSA-N 264.325 1.330 0 50 CDAA COc1ncc(CN(C)CC2CCOCC2)cn1 824851783 GURRAPWSYWPKAJ-UHFFFAOYSA-N 251.330 1.344 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)c1cncn1C 584889728 RRCNHVXEUYKNHY-LLVKDONJSA-N 258.325 1.485 0 50 CDAA c1coc(-c2noc(CN3CCc4nocc4C3)n2)c1 670452495 GLGJICODNRSOMB-UHFFFAOYSA-N 272.264 1.876 0 50 CDAA O=C1NCCC[C@H]1n1cnc2cccc(Cl)c2c1=O 670435265 UYLPLMIDIYFFCP-SNVBAGLBSA-N 277.711 1.501 0 50 CDAA Cc1nncn1CCN1CCN(C2CCCCC2)C(=O)C1 670470861 MUQKQJOBFNSGEO-UHFFFAOYSA-N 291.399 1.063 0 50 CDAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(C)C[C@H]2C)cc1 685939473 YGIMFILAPVATJM-UHOFOFEASA-N 288.391 1.961 0 50 CDAA CC1CC(C(=O)NC[C@@]2(C(=O)O)CCCOC2)C1 630338870 HFURUJRTUVHQBW-ZPPKWKGLSA-N 255.314 1.030 0 50 CDAA N[C@H]1C[C@@H](C(=O)O)CN(C/C=C/c2ccccc2)C1 1875302657 AWSWTMSAOCUSHN-KMEUXCNSSA-N 260.337 1.434 0 50 CDAA COC(=O)C1=NO[C@@H](CSc2ccccc2C(N)=O)C1 1875256489 TVFZLVSRAPUAAD-MRVPVSSYSA-N 294.332 1.196 0 50 CDAA O=C1C[C@@H]2CCC[C@]2(C(=O)N=c2nc(C3CC3)[nH]s2)C1 1875296659 HMGDVQLXQSFLKO-XPTSAGLGSA-N 291.376 1.925 0 50 CDAA CCn1cncc1CNC1CSCCSC1 1506404387 XMAPUMZBQGGGHG-UHFFFAOYSA-N 257.428 1.841 0 50 CDAA CC1(C)OC[C@@H](c2cn(CCCCCN)nn2)O1 958528056 RASYZPBITWCCPZ-NSHDSACASA-N 254.334 1.231 0 50 CDAA Cc1nccn1C[C@H](C)NCCSc1nc[nH]n1 952963563 IXOYSEARZCJRRV-VIFPVBQESA-N 266.374 1.080 0 50 CDAA Cc1nc(CN[C@@H]2CCCN(C(=O)C(C)C)C2)n(C)c1C 952978053 WZWPONZUXKWIFN-CQSZACIVSA-N 292.427 1.774 0 50 CDAA CC1(C)CN(C(=O)[C@@H]2CCCO[C@H]2c2cc[nH]n2)CCO1 886051527 SDLXNHOOQLAHPM-DGCLKSJQSA-N 293.367 1.515 0 50 CDAA O=C(c1cocn1)N1CCCC[C@]12CCCOC2 1339385667 ZXTUKTDGPJONRF-CYBMUJFWSA-N 250.298 1.850 0 50 CDAA O=C(NCCc1cccc(Cl)c1)N1CC[C@@H](O)[C@@H](O)C1 1565506671 NSWCVQCTWBTJIV-OLZOCXBDSA-N 298.770 1.020 0 50 CDAA Cc1cccc(NC(=O)CN2CCN(C)CC2)c1C 19851936 LPBSBXMTNFNGIA-UHFFFAOYSA-N 261.369 1.489 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)c(C)o1 275416641 TXUDSOAXMFXPIJ-STQMWFEESA-N 289.335 1.890 0 50 CDAA CC(C)OCCC(=O)N1CCN(C)[C@H](c2nccn2C)C1 275582029 JRERSMCHASXVEH-ZDUSSCGKSA-N 294.399 1.050 0 50 CDAA C[C@@H]1NC(=O)N(c2cccc(C(=O)NC3CC3)c2)C1=O 278113238 PZNXJFBUAPCEHX-QMMMGPOBSA-N 273.292 1.024 0 50 CDAA Cc1nc(C(=O)Nc2ccc(N3CCOCC3)nc2)co1 186832062 VTQUCMBGCXLKOM-UHFFFAOYSA-N 288.307 1.467 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CN)O2)CC1 91303589 LXUKJCKJBCDGOJ-NSHDSACASA-N 270.373 1.894 0 50 CDAA in-vitro Cn1nnnc1N1CCC(CN2CCc3ccccc32)CC1 599952483 VBAPTTNVRSTAPL-UHFFFAOYSA-N 298.394 1.489 0 50 CDAA Cc1nc2c([nH]1)C[C@H](C(=O)NCCCn1cccn1)CC2 582562131 JJUNAUNHPINBLP-GFCCVEGCSA-N 287.367 1.226 0 50 CDAA COc1cccc(C(=O)N(C)C2CCN(OC)CC2)c1 408520615 OCOHNKIFBREZHT-UHFFFAOYSA-N 278.352 1.793 0 50 CDAA COc1cnccc1[C@@H](C)NC(=O)NCC1CCOCC1 189956907 DDSWZGRHEXKJKU-LLVKDONJSA-N 293.367 1.877 0 50 CDAA CS(=O)(=O)c1cccc2c1N(C(=O)C(F)F)CCC2 585124418 CJPDIGRMZYHHET-UHFFFAOYSA-N 289.303 1.634 0 50 CDAA C[C@@H]1CN(C[C@H](O)COc2ccccc2Cl)C[C@H]1CO 190877290 ZQKVWVGKRUPDFC-AGIUHOORSA-N 299.798 1.640 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(CCC2=CCCCC2)C1 643818003 GJLQIDCVJMMZIU-INIZCTEOSA-N 280.412 1.840 0 50 CDAA CN(C)c1ccc([C@H]2CCCN2C(=O)CC(C)(C)O)nn1 643903660 JBULWTDNAAIQED-GFCCVEGCSA-N 292.383 1.367 0 50 CDAA Cc1ccc([C@H]2CN(CCNC(C)C)CCO2)o1 193479693 WISURLULJPGZMB-CQSZACIVSA-N 252.358 1.959 0 50 CDAA Cc1ncc(C(=O)NCc2nc3cccnc3[nH]2)s1 194233439 OUISTIKMQYLZJI-UHFFFAOYSA-N 273.321 1.653 0 50 CDAA COc1ccc(CC(=O)NCc2n[nH]c(C)c2C)cc1 716106323 SRQFSJPMUVPLAH-UHFFFAOYSA-N 273.336 1.894 0 50 CDAA Cc1nnc([C@H]2CN(CCn3cccn3)C[C@@H](C)O2)o1 661926848 ZRSHXINPSKHUQS-ZYHUDNBSSA-N 277.328 1.037 0 50 CDAA Cn1nc(C(=O)N2CCC[C@H]2c2cccnc2)cc1O 665627054 LAPCPFOKPVSXRI-LBPRGKRZSA-N 272.308 1.498 0 50 CDAA CON(C)C(=O)CCN1CC[C@@H](c2ccccn2)C1 799189883 IEXOGDKCKOYUIW-GFCCVEGCSA-N 263.341 1.281 0 50 CDAA Cn1c(O)nnc1CCN[C@@H]1CC2C[C@H]3CC1C[C@@H](C2)C3 1506426959 UJROBALLRBBFRR-XPXVYLNCSA-N 290.411 1.868 0 50 CDAA O=C(NN1CCOCC1)c1ccccc1Br 334733 TZBIIFYAUWGZNU-UHFFFAOYSA-N 285.141 1.426 0 50 CDAA CCCCCCNC(=O)[C@H]1COCCN1CC(F)(F)F 225799135 XJOVMRDOCCNUIX-LLVKDONJSA-N 296.333 1.946 0 50 CDAA C[C@H](O)C[C@@H]1CCCCCN1Cc1cn(C)nn1 235556970 BROGULXAPOOAFX-AAEUAGOBSA-N 252.362 1.331 0 50 CDAA O=C(NCc1[nH]nc2ncccc12)[C@H]1CC2CCN1CC2 1800414563 UCCIDRIJKQGSPS-CYBMUJFWSA-N 285.351 1.058 0 50 CDAA O=C(c1ccc2ccncc2n1)N1C[C@@H]2[C@@H](CF)[C@@H]2C1 1615045449 OTOPHOPVANADDG-CNDDSTCGSA-N 271.295 1.917 0 50 CDAA CS(=O)(=O)C1(C(=O)NC[C@H]2CCCC2(F)F)CC1 1615590389 LSZIETQQWSHIQU-MRVPVSSYSA-N 281.324 1.115 0 50 CDAA COCc1ccc(C(=O)N[C@@H]2C[C@H](N)C23CCC3)cc1F 1615553458 HBDONGLXEYHKHR-UONOGXRCSA-N 292.354 1.972 0 50 CDAA COc1ccc(N(C)C(=O)c2cc(CN(C)C)on2)nc1 1615618198 YBRNYSOBDQBLLB-UHFFFAOYSA-N 290.323 1.416 0 50 CDAA Cn1cccc(NC(=O)[C@H]2NCCOc3ccccc32)c1=O 1615615054 NVPPGFTZNSEORV-AWEZNQCLSA-N 299.330 1.047 0 50 CDAA COC(C)(C)CNC(=O)[C@@H]1NCCOc2ccccc21 1615615159 PRLKNXHZOPFONK-CYBMUJFWSA-N 278.352 1.251 0 50 CDAA COC(=O)N[C@@H]1CC2(CCNCC2)Oc2ccccc21 1616039573 RKUJPDJLOXLXGI-GFCCVEGCSA-N 276.336 1.988 0 50 CDAA COCCNC(=O)c1ccc(NC(=O)c2ccncc2)cc1 12406065 MHRKJEQASFGNKC-UHFFFAOYSA-N 299.330 1.710 0 50 CDAA CN1CCN(C(=S)NC(=O)c2ccccc2Cl)CC1 19943876 BZWVBXXQBCZXJT-UHFFFAOYSA-N 297.811 1.602 0 50 CDAA O=C(NCc1ccccn1)C(=O)Nc1cccc(F)c1 4304265 QNXZQMCCMCGKFJ-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA CN1C(=O)COc2ccc(-c3csc(N)n3)cc21 7996828 STHIZLTYZQLTNT-UHFFFAOYSA-N 261.306 1.748 0 50 CDAA in-vitro CN(C)c1ccccc1CNC(=O)[C@H]1CCn2cncc2C1 332645006 ZLCPMYXGOFYQOI-ZDUSSCGKSA-N 298.390 1.828 0 50 CDAA C[C@@H]1CN(C[C@H]2CCCN2C(=O)CC(C)(C)N)C[C@@H](C)O1 237509617 BVKZQLSZIUNXBR-MGPQQGTHSA-N 297.443 1.214 0 50 CDAA CC(C)CNC(=O)c1cn(C2CCN(C(C)C)CC2)nn1 12325239 UJGXUTWPNYFXNL-UHFFFAOYSA-N 293.415 1.709 0 50 CDAA Cc1cc2c(cc1NC(=O)[C@H]1C[C@H]1C(=O)O)OCO2 258694995 MTVYMMWGGDXGIF-JGVFFNPUSA-N 263.249 1.383 0 50 CDAA O=C(N[C@H]1CCc2ncnn2C1)[C@H](c1ccccc1)C1CC1 154226384 QKXOMNNJPHVBIU-GOEBONIOSA-N 296.374 1.903 0 50 CDAA CC(C)[C@H](NC(=O)c1ccc(-c2cnn(C)c2)o1)C(=O)O 908183859 VEVGRKOAVHMMAE-LBPRGKRZSA-N 291.307 1.519 0 50 CDAA C[C@H]1CN(C(=O)COc2cccnc2)Cc2c[nH]nc21 913592999 SIVKKUAUJWHTQS-JTQLQIEISA-N 272.308 1.329 0 50 CDAA Cc1noc(C)c1C(=O)N=c1nc2nccc(C3CC3)n2[nH]1 1851479698 LKWRMDGIDTYQOO-UHFFFAOYSA-N 298.306 1.281 0 50 CDAA NS(=O)(=O)C1CCN(CC2C[C@H]3[C@H](C2)C3(F)F)CC1 930118226 HFTPXKUCTNXQBN-QWRGUYRKSA-N 294.367 1.031 0 50 CDAA O=C(CCc1cncs1)N1CC(O)(c2ccccc2)C1 831948924 JZRYSOHUSDMETF-UHFFFAOYSA-N 288.372 1.806 0 50 CDAA CC1(C)CNC(=O)[C@@H]1NCc1nnc(-c2ccccc2)o1 931665018 ULJXJBNAWXEIDE-LBPRGKRZSA-N 286.335 1.351 0 50 CDAA Cc1nc(CC2CCN(CCc3cnccn3)CC2)no1 932237258 BSSLYGRDVJOTKB-UHFFFAOYSA-N 287.367 1.665 0 50 CDAA CC1(C)C[C@@H](C(=O)N2CC(OC(F)F)C2)CCO1 1262622128 KVTICTHXOJNTDD-QMMMGPOBSA-N 263.284 1.642 0 50 CDAA CN1CC[C@H](n2c(S)nc3ccccc3c2=O)C1=O 120714429 AOXMKESEKIIQOI-JTQLQIEISA-N 275.333 1.088 0 50 CDAA Cc1cc(C)n(CCCN[C@H](C)Cn2cccn2)n1 121821722 AFEFZDDVOMLLOI-CYBMUJFWSA-N 261.373 1.765 0 50 CDAA O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccncc1F 110696927 CREFQQJZFQFQFS-NWDGAFQWSA-N 293.342 1.204 0 50 CDAA O=C(O)[C@@]12CCC[C@H]1CN(CCOCC(F)(F)F)C2 262201921 SFUOJRQUHHSXOQ-GXSJLCMTSA-N 281.274 1.752 0 50 CDAA C[C@@H]1CN(CCC(=O)O)C[C@H](c2ccsc2)O1 262458650 XDRLIORBDFAGGH-MWLCHTKSSA-N 255.339 1.985 0 50 CDAA N[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccccc1F 178898080 JWOMJZOSVNLILH-CHWSQXEVSA-N 286.372 1.515 0 50 CDAA Cc1cc(C(=O)NCc2cccc(C)n2)cc(O)n1 180134470 IUDPEVAAHMSOOT-UHFFFAOYSA-N 257.293 1.729 0 50 CDAA Cc1cc(C(F)(F)F)nc(N[C@@H]2CNC(=O)C2)n1 547708078 DJKFBFRJRATXMU-LURJTMIESA-N 260.219 1.104 0 50 CDAA CC(C)(C(=O)N1CC[C@@](O)(C(=N)O)C1)C1CCCC1 336332998 KUPFBQFZSMHCEH-AWEZNQCLSA-N 268.357 1.701 0 50 CDAA CC(C)c1cc(N(C)CCc2cnn(C)c2)nc(N)n1 91426241 ULDJEHIQCDFEHA-UHFFFAOYSA-N 274.372 1.595 0 50 CDAA CN(C)C1(CNC(=O)c2c[nH]c(=N)s2)CCCCC1 584885856 ANRRPCKOZHGZDD-UHFFFAOYSA-N 282.413 1.550 0 50 CDAA CN(CCCn1cccn1)Cc1nc(C(F)(F)F)no1 823719811 GEEZYWWXODAPQR-UHFFFAOYSA-N 289.261 1.807 0 50 CDAA O=C1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3C(=O)O)CC1 2325769489 JMIKCSGTTLQXCF-JLLWLGSASA-N 265.309 1.210 0 50 CDAA O=C1CC[C@@H]2CN(C(=O)NCCc3ccsc3)C[C@H]2N1 2325775962 PZDDXBPFAYMJJD-VXGBXAGGSA-N 293.392 1.211 0 50 CDAA Cc1cc2c(c(C(=O)N3CC(c4cc(O)n[nH]4)C3)c1)OCC2 2325791418 XENCPLJFDWVTOR-UHFFFAOYSA-N 299.330 1.598 0 50 CDAA CCc1ccsc1C(=O)N1CC[C@@H](c2nc(=O)o[nH]2)C1 2325810635 VNESZOHFAIDAFJ-SECBINFHSA-N 293.348 1.617 0 50 CDAA O=C(N[C@H]1CCc2cc(O)ccc2C1)[C@H]1C2CCN1CC2 2325811199 AMPBYMQXYHZOBF-GOEBONIOSA-N 286.375 1.460 0 50 CDAA COc1nccc2c1CN(C(=O)[C@H]1CC1(F)F)CC2 2325816048 PWSHNQQVVVIXAJ-SNVBAGLBSA-N 268.263 1.630 0 50 CDAA C=CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 862208578 GXQDCRYJCDRBAY-WCQYABFASA-N 292.766 1.957 0 50 CDAA O=C(c1cncnc1C1CC1)N1CCc2ncccc21 888142108 PZHSIHZKVMSENX-UHFFFAOYSA-N 266.304 1.952 0 50 CDAA O=C(N[C@H]1CCCC[C@@H]1NC(=O)C1CC1)C1CC1 70408 WFDWVSXCEUXFEL-RYUDHWBXSA-N 250.342 1.350 0 50 CDAA COc1ccc(OCC(=O)NCc2ccccn2)cc1 195372 METDBBAIMGUSLB-UHFFFAOYSA-N 272.304 1.785 0 50 CDAA c1ccc2c(c1)[nH]c1c(N3CCOCC3)ncnc12 759025 UISSSHKLLFDNOA-UHFFFAOYSA-N 254.293 1.948 0 50 CDAA CCCN1Cc2nnc(-c3cnco3)n2[C@@H](C)C1=O 2356156002 RFEKUELCAVFDSH-QMMMGPOBSA-N 261.285 1.246 0 50 CDAA O=C(NCc1cccnc1)c1ccc2nccnc2c1 4821471 MMGRQZIANLSSNA-UHFFFAOYSA-N 264.288 1.955 0 50 CDAA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1N1CCCCC1 101098297 DUAVGPNZBLUHNE-MNOVXSKESA-N 268.744 1.905 0 50 CDAA Cc1cn2c(nc3c2c(=O)n(CCC(C)C)c(=O)n3C)[nH]1 8706127 UJTABBZBAZSMQX-UHFFFAOYSA-N 289.339 1.031 0 50 CDAA biogenic CC[C@@H](CO)N(Cc1ccco1)C(=O)c1ncccc1O 55387148 YMAOYQFCLLOYAT-NSHDSACASA-N 290.319 1.794 0 50 CDAA Cc1nc(C)n(C[C@@H]2CCCCN2[C@H]2C[C@@H](C)OC2=O)n1 247851866 WAVPTVRSRJMKGI-SWHYSGLUSA-N 292.383 1.453 0 50 CDAA CCc1ccccc1NC(=O)C[C@H]1SC(=N)NC1=O 9014220 YZLYNJOOOQCIFT-SNVBAGLBSA-N 277.349 1.744 0 50 CDAA CCCCNC(=O)[C@H]1C(=O)CN(c2ccccc2)C1=O 101164441 HKBKUCOQGZZLJQ-CYBMUJFWSA-N 274.320 1.135 0 50 CDAA CCSc1ncc([C@H]2NCCc3[nH]cnc32)cn1 65370880 GRSNYDURDANKOE-SNVBAGLBSA-N 261.354 1.547 0 50 CDAA COC(=O)CCNC(=O)Cn1ccc2ccc(F)cc21 20725809 GSHDEWQPXRYRCV-UHFFFAOYSA-N 278.283 1.460 0 50 CDAA Cc1cnc(CNC(=O)CN2CCCCCC2)cn1 65504681 KMXARYDDSQSIAS-UHFFFAOYSA-N 262.357 1.277 0 50 CDAA COc1ccc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)o1 67491332 AYFTYNZCKHBXJV-QMMMGPOBSA-N 263.297 1.681 0 50 CDAA CCCc1cnc(N2CCN(CC(=O)OCC)CC2)nc1 65468838 JXYBGKIUCPKNQC-UHFFFAOYSA-N 292.383 1.114 0 50 CDAA CC[C@H](N)C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 253432747 NKALIXWFNBCPJQ-KWCYVHTRSA-N 262.353 1.712 0 50 CDAA CSC1(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)CC1 253427801 DYHWLHQDNXFUCQ-LLVKDONJSA-N 276.361 1.414 0 50 CDAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CCCOC1 173187114 HPBWZHAPQRPMAU-MFKMUULPSA-N 294.399 1.446 0 50 CDAA CCCCCN1C(=O)[C@@H](Cc2cn(C(C)C)nn2)N=C1O 328613602 SQDKEMBFBBYTDD-GFCCVEGCSA-N 293.371 1.717 0 50 CDAA Cc1nnc([C@@H](C)N2CCN(c3cncc(F)c3)CC2)o1 328901849 ZPEZTNRJTSCTCG-SNVBAGLBSA-N 291.330 1.795 0 50 CDAA Cc1cc(CN2CC[C@H](CC(N)=O)C2)ccc1F 368133651 JMAJJIHLAGUNKI-GFCCVEGCSA-N 250.317 1.831 0 50 CDAA CCNCc1nc(-c2cccc(C(=O)NC3CC3)c2)no1 34924910 ONIVOFKXFQCLFM-UHFFFAOYSA-N 286.335 1.738 0 50 CDAA COC(=O)C(NC(=O)OCc1ccccc1)=C1COC1 71766876 NDTBYBDHYVFWSM-UHFFFAOYSA-N 277.276 1.370 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NCC2(OC)CCC(C)CC2)N(C)C1 330583947 VLQCFTOGMKLROR-WJEHIRDRSA-N 298.427 1.417 0 50 CDAA CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCC(=O)NC(C1CC1)C1CC1 333027066 AWCRKVXZQRJONO-WQVCFCJDSA-N 292.423 1.694 0 50 CDAA O=C(CC[C@H]1CCNC1)Nc1ccc2c(c1)OCC(=O)N2 261767402 IMMHZBGKWCZQHV-JTQLQIEISA-N 289.335 1.346 0 50 CDAA CCc1nc(N[C@H](C)c2n[nH]c(C)n2)c2cnn(C)c2n1 72147952 HOTGARAEGCRJMT-SSDOTTSWSA-N 286.343 1.525 0 50 CDAA O=C(COCC(F)(F)F)N1CCC[C@H]1c1ncc[nH]1 371442117 GJOGICCZWUDHGG-QMMMGPOBSA-N 277.246 1.652 0 50 CDAA Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CC[C@@H](N)C1 237674337 JSNJIIRXFLSJHM-OUCADQQQSA-N 262.353 1.272 0 50 CDAA COCc1cc(N2CCO[C@@H](C(F)(F)F)C2)ncn1 71524469 KTSQYBUNCRLWOI-SECBINFHSA-N 277.246 1.391 0 50 CDAA O=C(O)CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 238159321 UEBHHBJUAPLWTN-VIFPVBQESA-N 297.742 1.470 0 50 CDAA O=C(NC[C@H](C(=O)O)c1ccc(F)cc1)[C@@H]1CCCCO1 262851370 HWDLEVOHGRYQAN-STQMWFEESA-N 295.310 1.679 0 50 CDAA O=C(O)[C@@H]1[C@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@H]21 217754110 XSEMLUHNIBHIJN-WOFXILAISA-N 295.722 1.377 0 50 CDAA CCc1cc(N[C@@H]2CCNC2=O)n2nc(C)c(C)c2n1 72410352 ANVCJUWQPQCHCD-LLVKDONJSA-N 273.340 1.209 0 50 CDAA O=C(NCCCO)NCC1CC(c2ccccc2)C1 240786080 IADGWMOYZFIWDB-UHFFFAOYSA-N 262.353 1.862 0 50 CDAA O=S(=O)(CCN1CCC12CCOCC2)c1ccccc1 241961356 URSUNHUXPOSNMV-UHFFFAOYSA-N 295.404 1.715 0 50 CDAA O[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C[C@@H]1O 72145838 MHDUQSHAHYWMFR-IUCAKERBSA-N 296.676 1.686 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)c2nc3ccccc3[nH]2)C1 82271672 MNEHNUNHLSPUBL-VIFPVBQESA-N 273.292 1.500 0 50 CDAA CC(C)(C(=O)N[C@H]1COc2ccccc2C1=O)n1cccn1 613039198 HUCDMUGDGQVJKK-LBPRGKRZSA-N 299.330 1.378 0 50 CDAA Cc1noc(-c2ccccc2C(=O)N2CCC23COC3)n1 615927353 KHGKNIUADZNTBS-UHFFFAOYSA-N 285.303 1.660 0 50 CDAA Cc1cc(CN(C)CC(C)(C)CN2CCOCC2)on1 178943165 PZPOBKFSCSALBT-UHFFFAOYSA-N 281.400 1.773 0 50 CDAA CCCc1ccc([C@@H](C)NC(=O)N2CCNC(=O)C2)cc1 426420409 BVCFKCDLFQBDJP-GFCCVEGCSA-N 289.379 1.842 0 50 CDAA Cc1nnc2ccc(N3CC[C@@]4(CCCN(C)C4)C3)nn12 292650161 BQZOLSFMLQSDDA-OAHLLOKOSA-N 286.383 1.355 0 50 CDAA Cc1ccn2c(C(=O)N[C@@H](C)c3n[nH]c(C)n3)c(C)nc2c1 426582729 CLAWPOLDOMPAFV-JTQLQIEISA-N 298.350 1.869 0 50 CDAA COCC(=O)N1CCC[C@H](C(=O)NCC2=CCCCC2)C1 95507554 YGPYQDCJWFEUOR-AWEZNQCLSA-N 294.395 1.488 0 50 CDAA CCN(C(=O)[C@H](C)NC(=O)C1CCCC1)[C@@H]1CCN(C)C1 617557600 OZDMMQXMFBKZLJ-GXTWGEPZSA-N 295.427 1.234 0 50 CDAA Cc1cnc(N)nc1N(C)CCN(C)C1CCCC1 91645488 SVCKCZQDGIUNSR-UHFFFAOYSA-N 263.389 1.678 0 50 CDAA Cc1nc([C@@H]2CCS(=O)(=O)C2)n(CC(F)(F)F)n1 96161411 IRWXFFOZIPJDOU-SSDOTTSWSA-N 283.275 1.051 0 50 CDAA CCOc1ccc(CC(=O)/N=c2\[nH]ccn2C)cc1 96562906 YUWNWAAZUYJGNK-UHFFFAOYSA-N 259.309 1.422 0 50 CDAA O=C(NCC(F)(F)F)c1cc(=O)c2cccc(F)c2[nH]1 97480518 ZSYUFSXYDXRWEG-UHFFFAOYSA-N 288.200 1.959 0 50 CDAA O=C(NC1CCOCC1)[C@@H]1CCOc2ccccc2C1 96149415 OSUMXQZMGILXPK-CYBMUJFWSA-N 275.348 1.923 0 50 CDAA C1CCc2nnc(-c3nc([C@@H]4CCOC4)no3)n2CC1 96139068 LLLYOANXGOGZTK-SECBINFHSA-N 275.312 1.558 0 50 CDAA Cc1cnc(CNC(=O)CCc2ccncc2)cn1 97307880 GHTFBRHMAZMXHV-UHFFFAOYSA-N 256.309 1.429 0 50 CDAA CCC[C@]1(CO)CCCN(Cc2cnc(N)nc2)C1 91619925 PYLISXVBNVIVDH-AWEZNQCLSA-N 264.373 1.433 0 50 CDAA Cc1csc([C@@H](C)N(C)C(=O)CN2CCOC2=O)n1 95512105 WVFVQAMOLLIURU-SECBINFHSA-N 283.353 1.423 0 50 CDAA COC[C@H](C)C1CCN(c2nc(N)ncc2C)CC1 91770566 RJBSNFREVBQPOQ-NSHDSACASA-N 264.373 1.866 0 50 CDAA CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1[C@@H]3[C@H]4[C@H]5[C@H]3[C@@]13CC(C)(C)C[C@]53[C@@H]24 248343130 ZTACXIBNXYHYEN-ASULVHDZSA-N 283.371 1.775 0 50 CDAA Cc1nnc(CNCCNC(=O)c2ccccc2F)s1 864087831 YXEOYPZEINSEQL-UHFFFAOYSA-N 294.355 1.505 0 50 CDAA CC(=O)OC[C@@H]1[C@@](C)(COC(C)=O)[C@H]2CC[C@@]1(C)O2 252427669 BGBMIIVTOSYOIQ-AAVRWANBSA-N 270.325 1.686 0 50 CDAA C[C@]12[C@@H]3[C@H]4[C@@H]5[C@@H]([C@@H]41)[C@H]2n1c(=O)n(-c2ccccc2)c(=O)n1[C@@H]35 253589954 AOQAVNNTXFWYRQ-QPWCMRPJSA-N 293.326 1.038 0 50 CDAA CN1CCC(N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC1 534652355 WHAGOJUBVIJTBF-AWEZNQCLSA-N 278.352 1.072 0 50 CDAA COCCc1noc(CNC(=O)Cc2ccsc2)n1 534652343 LKTWYBDRDCXPAI-UHFFFAOYSA-N 281.337 1.179 0 50 CDAA COC1CC(Oc2ccc3c(c2)CCCNC3=O)C1 629360211 NGABZNRDNRRAHY-UHFFFAOYSA-N 261.321 1.919 0 50 CDAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(CCCn1ccnc1C)CC2 299788250 XWSZKWWUUXPANI-OWCLPIDISA-N 293.411 1.586 0 50 CDAA CNc1nc(NCCCN2CCCC[C@@H]2CO)ncc1F 828710921 PTPGIKDFPYZAJA-LLVKDONJSA-N 297.378 1.306 0 50 CDAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(=O)NC 822560092 UZAULSKNAQRKDL-JTQLQIEISA-N 291.351 1.147 0 50 CDAA CC1(C)C[C@H](NC(=O)c2cncc(C(=O)O)c2)C(C)(C)O1 630182832 XOMQRWPIROKGHM-NSHDSACASA-N 292.335 1.856 0 50 CDAA Nc1cc(O)nc(CCNC(=O)c2ccc3c(c2)CCC3)n1 584886469 BJPKJUFRAZEAFS-UHFFFAOYSA-N 298.346 1.226 0 50 CDAA Cc1nc2c([nH]1)CN(CC(=O)NCc1cccs1)CC2 670435548 KLNDNBUTBOEIHP-UHFFFAOYSA-N 290.392 1.454 0 50 CDAA C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@H]21)N1C(=O)CCC1=O 685945173 PWYWKCFOKNSSPU-FRRDWIJNSA-N 292.379 1.705 0 50 CDAA Cc1nonc1CNC(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C 873283848 KSJBNZVWXANAED-JQWIXIFHSA-N 293.371 1.146 0 50 CDAA COc1nc(C)cc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)n1 952889649 FCHLVSSEHUWCEW-ONGXEEELSA-N 290.327 1.101 0 50 CDAA CCS(=O)(=O)Nc1c(C(=O)OC)n(C)c2ncccc12 952884726 LBRJQMGEJWRIQG-UHFFFAOYSA-N 297.336 1.122 0 50 CDAA CN1C(=O)CC[C@@H]1CC(=O)Nc1cccc2nccnc12 1875269793 CPIHORQPZOAOAC-SNVBAGLBSA-N 284.319 1.579 0 50 CDAA O=c1c2cncn2c2ccccc2n1CC[C@H]1COCCO1 1875280850 BYTZVULCWCKJAZ-LBPRGKRZSA-N 299.330 1.455 0 50 CDAA C[C@H](ONC(=O)[C@H]1CCCCNC1=O)c1ccncc1 1875298419 ZYKFPWCVFFMHBZ-JQWIXIFHSA-N 277.324 1.107 0 50 CDAA Cc1cnn2c(NCc3cc(C(=O)O)n[nH]3)ccnc12 1875290120 XNMXRGVOTQPMKE-UHFFFAOYSA-N 272.268 1.071 0 50 CDAA C[C@@H]1C[C@@H]1NC(=O)N1CC[C@](O)(Cc2cccc(F)c2)C1 1875257372 GMPVHPXUQRNMRZ-WPGHFRTFSA-N 292.354 1.923 0 50 CDAA C=CC(=O)N[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1875369792 IEKCWNCHWUQRJX-MNOVXSKESA-N 268.357 1.982 0 50 CDAA C=CC(=O)NC[C@H](O)c1cc(Cl)ccc1OC 1875374819 GIIZWXNALBBROE-JTQLQIEISA-N 255.701 1.684 0 50 CDAA C[C@H]1C[C@H]1C(=O)NCc1c[nH]nc1-c1ccnn1C 1875312616 GSSKWDWDRYMWJZ-WCBMZHEXSA-N 259.313 1.082 0 50 CDAA CN(C)C/C=C/C(=O)N(C)Cc1noc(C2CC2)n1 1875376571 BFIZFXXGYAVADC-SNAWJCMRSA-N 264.329 1.023 0 50 CDAA COc1ccc([C@@H](N)C2(O)CCNCC2)c(C)c1 958528914 YMDHZFHAPLDSJS-CYBMUJFWSA-N 250.342 1.118 0 50 CDAA CC[C@H](CO)N(Cc1cccnc1)C(=O)Cc1ccncc1 952971534 HIQCCXYLPBTZBT-MRXNPFEDSA-N 299.374 1.819 0 50 CDAA Cn1nccc1[C@@H](O)CNC(=O)C1(C2CCCCC2)CC1 886242012 JZERPDDEMGETJM-AWEZNQCLSA-N 291.395 1.930 0 50 CDAA CC(C)(C)[C@@H](O)C(=O)NC1(c2ccccc2)COC1 888565099 XLIDGUKBQSSAMG-LBPRGKRZSA-N 263.337 1.435 0 50 CDAA O=C1CCC(=O)N1CCCNc1cc(C(F)F)ncn1 892395616 FXYHWJOJXHWXNO-UHFFFAOYSA-N 284.266 1.365 0 50 CDAA CCC(=O)N1CC[C@@H](Nc2ncnc3[nH]cc(CC)c23)C1 892930324 XQZWSOVXWCFWDZ-LLVKDONJSA-N 287.367 1.943 0 50 CDAA C=CC(=O)N[C@@H]1CCc2ncc(Br)n2C1 899226368 QJUNFLKVKQMFBW-SSDOTTSWSA-N 270.130 1.263 0 50 CDAA NC(=O)C1(c2nc(-c3ccccc3F)no2)CCC1 1775991737 UDPBHENWNPRAQP-UHFFFAOYSA-N 261.256 1.783 0 50 CDAA COCc1cn(CCn2ccc3ccccc3c2=O)nn1 899719153 SEACTKWASZWUNR-UHFFFAOYSA-N 284.319 1.440 0 50 CDAA Cc1cc(C(F)(F)F)cc(N2CC[C@](C)(O)[C@H](O)C2)n1 1565513671 GIINBOCMFYYXJA-PWSUYJOCSA-N 290.285 1.731 0 50 CDAA O=C(N[C@H]1CCOC[C@@H]1OCC1CCC1)c1ccon1 1565512160 NOTDKHRDESKGTD-AAEUAGOBSA-N 280.324 1.379 0 50 CDAA CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)C2CCCC2)C1 1190328349 HECXPZFAXRSJCL-TZMCWYRMSA-N 295.427 1.234 0 50 CDAA CSCC[C@H](C)NS(=O)(=O)c1cncc(C)c1 1365147607 RWSLOMBXFCNPRU-JTQLQIEISA-N 274.411 1.810 0 50 CDAA NS(=O)(=O)c1ccccc1N1CC[C@@H]([C@H]2CCOC2)C1 631176569 AZXHSFONSBOGMH-NEPJUHHUSA-N 296.392 1.197 0 50 CDAA C=CC(=O)NCCC(=O)N1CCS[C@H](C)CC1 277788199 MYQACOXCAKJZQX-SNVBAGLBSA-N 256.371 1.033 0 50 CDAA O=C1N[C@]2(CCOC2)C(=O)N1c1cccc(C(F)F)c1 277932445 BPVJTVTWKNHGTO-ZDUSSCGKSA-N 282.246 1.840 0 50 CDAA O=C(NCc1c(F)c(F)cc(F)c1F)[C@H]1CSCN1 170046870 DWWFATWYCUQOSK-MRVPVSSYSA-N 294.273 1.522 0 50 CDAA O=S1(=O)CCCN1CCNc1cccc(Cl)n1 170616255 PFYDYPYPTFFOOP-UHFFFAOYSA-N 275.761 1.182 0 50 CDAA CCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)NC)o1 170613544 CBQKAIGNFDCLFH-UHFFFAOYSA-N 288.369 1.354 0 50 CDAA COC(=O)[C@@H]1C[C@@H](O)CN1c1cc(Cl)nc(C2CC2)n1 170613063 OMRYGBDDKKTPCO-BDAKNGLRSA-N 297.742 1.120 0 50 CDAA CCC[C@]1(C)C(=O)NCCN1Cc1noc(C2CC2)n1 187326825 WFADXLANRFVZOS-CQSZACIVSA-N 278.356 1.438 0 50 CDAA CCOC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 95635081 XJUVGBUNHJKXTC-JTQLQIEISA-N 273.329 1.576 0 50 CDAA in-vitro Cn1cncc1CCNC(=O)C1Cc2ccccc2C1 585079443 SCWZDSYASHPWFF-UHFFFAOYSA-N 269.348 1.494 0 50 CDAA O=C(NCC1(c2ccccc2)CC1)c1cccn2nnnc12 585132304 SUHDIRYRWLXSQB-UHFFFAOYSA-N 293.330 1.586 0 50 CDAA CN(CCc1ccncc1)C(=O)c1ccncc1F 215308639 PTOOWWAUFPHIDJ-UHFFFAOYSA-N 259.284 1.930 0 50 CDAA O=C(NC1Cc2ccccc2C1)[C@@H]1CCc2cncn2C1 553221600 JMEHZACPCQTRII-CQSZACIVSA-N 281.359 1.729 0 50 CDAA CN1[C@H]2CC[C@@H]1CCN(Cc1nc(-c3cccnc3)no1)C2 1076084662 GBAJYPIJAJPCDD-KGLIPLIRSA-N 299.378 1.800 0 50 CDAA Cc1ccoc1C(=O)N1CCO[C@@H](c2ncon2)C1 408192977 PORRWHSMAXDXGD-SECBINFHSA-N 263.253 1.185 0 50 CDAA CC(C)[C@H]1OCCC[C@@H]1C(=O)N(C)CC1(O)CCOCC1 408474643 IKHDVVDBWVAXIN-UONOGXRCSA-N 299.411 1.438 0 50 CDAA O=C([C@@H]1C[C@H]2CC[C@H]1O2)N1CCO[C@@H](c2ccco2)C1 408422403 HYXITVYVBZIATJ-HKUMRIAESA-N 277.320 1.747 0 50 CDAA CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)O)cc1 408525770 OVPXDNZBEMTQHN-NSHDSACASA-N 250.298 1.011 0 50 CDAA C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NC[C@H](C)[S@](C)=O 225317927 ZBPSOYDPUNBFPC-FBPOAUBGSA-N 274.430 1.131 0 50 CDAA C[S@](=O)C1(CNC(=O)c2noc3c2CCCC3)CC1 225673511 GMVGAJHSVMBHAW-IBGZPJMESA-N 282.365 1.194 0 50 CDAA COC[C@@H](NC[C@@H](C)N1CCOCC1)c1ccccc1 225632045 BUSHXPYWBBGYTE-GDBMZVCRSA-N 278.396 1.684 0 50 CDAA CC[C@H](C(=O)O)N1CCN(CC(F)(F)C(F)F)CC1 191435380 MZEWYQSGLNDBFR-MRVPVSSYSA-N 286.269 1.368 0 50 CDAA C[C@H](C(=O)NC[C@H](C)CC(=O)O)C1CCOCC1 192913775 LMNXJSMNNOPGEY-ZJUUUORDSA-N 257.330 1.276 0 50 CDAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCNC(=O)[C@@H]2C)C1(C)C 195529871 UBVJULKGHIPRCX-TUAOUCFPSA-N 264.369 1.572 0 50 CDAA CCc1ncnc(N2CCC[C@H]2C(=O)OC)c1F 195574055 VVWRPCPSAREKBM-VIFPVBQESA-N 253.277 1.320 0 50 CDAA O=C(O)C1CCN(C(=O)c2ccc3c(c2)CCOC3)CC1 656490638 DIYTVFNEKWYKSV-UHFFFAOYSA-N 289.331 1.696 0 50 CDAA Cc1cc(CNCc2nc3ccccc3n2C)n[nH]1 716475922 GRFYVJVYZGOYBZ-UHFFFAOYSA-N 255.325 1.895 0 50 CDAA O=C1COc2cc(Br)cc(C(=O)O)c2N1 211437050 HAZBHNNHAQZIKG-UHFFFAOYSA-N 272.054 1.478 0 50 CDAA Cc1c(C(=O)N[C@H]2CC[C@H](N)C2)cnn1-c1ccccn1 211545637 NDVOZCQKZKKHBL-RYUDHWBXSA-N 285.351 1.185 0 50 CDAA C[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)s1 12443652 FJHHLFWEESHSSL-LURJTMIESA-N 258.730 1.362 0 50 CDAA in-vitro CCc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 12420547 IGCSQPDBIHXKPR-UHFFFAOYSA-N 298.408 1.194 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CN1CCOC1=O)C2 1704329048 SGCBGMVMLBEHQO-DOMZBBRYSA-N 296.367 1.246 0 50 CDAA COc1ccc(CN(CCO)Cc2cnc(C)[nH]2)cn1 1704312662 HKAADPSOTKXCHA-UHFFFAOYSA-N 276.340 1.116 0 50 CDAA CCCC(CCC)C(=O)N(CCO)Cc1cncn1C 1704315509 HZRPAUNBUJLILA-UHFFFAOYSA-N 281.400 1.957 0 50 CDAA CO[C@H](C)C(=O)Nc1ccc(OCC(=O)O)c(Cl)c1 262029646 AQMCDZRZBNNMOZ-SSDOTTSWSA-N 287.699 1.777 0 50 CDAA Cc1ccc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)s1 1704329697 BAGLHEHQRLXTFM-RYUDHWBXSA-N 280.393 1.459 0 50 CDAA CCc1csc(NCCc2nnc3c(=O)[nH]ccn23)n1 1612902983 FYMNZPOUUHYBNY-UHFFFAOYSA-N 290.352 1.091 0 50 CDAA Cc1ncc(Cl)c(NCCc2nnc(N)s2)n1 1772705205 FZOXCJPLSRMOMA-UHFFFAOYSA-N 270.749 1.527 0 50 CDAA CN(CCc1ccccn1)C[C@@H]1CCC(=O)N(C)C1 1772804447 PDYOAJISXRGYKZ-ZDUSSCGKSA-N 261.369 1.424 0 50 CDAA O=C(O)CC[C@@]12CNC[C@@H]1CN(Cc1ccsc1)C2 1772700511 FXJQHCWEJKENTJ-OCCSQVGLSA-N 280.393 1.634 0 50 CDAA O=C(O[C@@H]1CCS(=O)(=O)C1)c1ccccc1F 5344652 QBJXDICCBNOSHW-MRVPVSSYSA-N 258.270 1.170 0 50 CDAA COCc1ccc(C(=O)Nc2nnc(C)s2)o1 5553916 LSZUTOXHLMOCHA-UHFFFAOYSA-N 253.283 1.838 0 50 CDAA O=c1[nH]cnc2ccc(I)cc12 5687386 PUGXMZKDRVGIHC-UHFFFAOYSA-N 272.045 1.528 0 50 CDAA in-vitro COc1cc(N2C[C@H](C(=O)O)CC2=O)cc(OC)c1OC 12404935 KJGIGHRIXXBYRO-MRVPVSSYSA-N 295.291 1.150 0 50 CDAA CCN(CC)c1ncccc1CNC(=O)c1cnccn1 14970335 TWYPHCNBHQFZHC-UHFFFAOYSA-N 285.351 1.648 0 50 CDAA C[C@@H](CN1CCOCC1)OC(=O)Cc1ccccc1 19456373 PFICYZKOOLQRNQ-ZDUSSCGKSA-N 263.337 1.493 0 50 CDAA CCOC(=O)c1cnn2c1CN(C(=O)OC(C)(C)C)CC2 169620391 CXWBUPNZOYLFSY-UHFFFAOYSA-N 295.339 1.811 0 50 CDAA CCOc1ccnc(NC[C@@H]2CCN(CC)C2)n1 164484178 MGIHGOQYAMNKNX-NSHDSACASA-N 250.346 1.629 0 50 CDAA COCC(=O)N[C@@H](C)c1ccccc1-n1cccn1 153502499 GWAKPOROCQRMKM-NSHDSACASA-N 259.309 1.696 0 50 CDAA Cc1nonc1CC(=O)N[C@H]1CCCc2c1c(C)nn2C 1857679884 ZGCVRLPEWOFXHD-JTQLQIEISA-N 289.339 1.156 0 50 CDAA O=C(c1cncc(Cl)c1)N1CCC(n2cnnc2)CC1 1857684712 ZRKURWLYFYHFSP-UHFFFAOYSA-N 291.742 1.804 0 50 CDAA CCCc1cnc(N2CCN3C(=O)OC[C@@]3(CC)C2)nc1 1857693855 PTRMCUXLTJWZLG-OAHLLOKOSA-N 290.367 1.850 0 50 CDAA CN1CCN(C)C2(CCN(C(=O)C3CC=CC3)CC2)C1 1857695041 RCQGBBOMHYFTGZ-UHFFFAOYSA-N 277.412 1.191 0 50 CDAA CCOc1ccc2[nH]c(=O)c(-c3nccn3CCO)cc2c1 1857702632 FEJBUDDYGKICBK-UHFFFAOYSA-N 299.330 1.783 0 50 CDAA CCN1CCN(C(=O)[C@H](C)CSC)C[C@H]1c1ncc[nH]1 328632147 RQRIVUNTUNOGCY-NEPJUHHUSA-N 296.440 1.614 0 50 CDAA COC[C@@H]1C[C@@H](OC)CN1Cc1ccc2c[nH]nc2c1 331820142 AAEXXZVARIRROM-UONOGXRCSA-N 275.352 1.799 0 50 CDAA CCN1CC[C@@H](N(C)C(=O)c2ccc(CN)o2)[C@H](C)C1 643613035 ZBDFHYKUTWZEFQ-DGCLKSJQSA-N 279.384 1.541 0 50 CDAA COc1ccc2c(c1)N(CCN1CCNC1=O)CCCC2 367996884 JXQCAMGNWLPFMR-UHFFFAOYSA-N 289.379 1.863 0 50 CDAA Cc1noc([C@H](C)NC(=O)c2ccc(C(=O)O)s2)n1 262645541 QWETWFOMRFTISZ-YFKPBYRVSA-N 281.293 1.629 0 50 CDAA COC[C@@H]1CCCN(C(=O)CCCCCC(=O)O)C1 1875279339 SRMIACKHABVLFQ-GFCCVEGCSA-N 271.357 1.907 0 50 CDAA CCc1nc(C(C)C)ccc1Cn1cc(C(N)=O)nn1 853678693 MOPSIWGIJLCEPX-UHFFFAOYSA-N 273.340 1.506 0 50 CDAA CNc1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 2812159 JBWLRILGMBHDCE-JTQLQIEISA-N 263.215 1.651 0 50 CDAA COC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 4438654 CYZXCZJHZQDDGM-UHFFFAOYSA-N 297.376 1.401 0 50 CDAA COc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1F 127513146 NPDORFICELIALQ-UHFFFAOYSA-N 281.283 1.771 0 50 CDAA C[C@H](C(=O)O)N(C(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12)C1CC1 262178805 PUUIMGXOYRABKK-ACJPCYBHSA-N 263.337 1.743 0 50 CDAA COc1ccc(CN[C@H](C)c2nncn2C)cc1O 37016744 PMMYCVJUDOJDJV-SECBINFHSA-N 262.313 1.380 0 50 CDAA C[C@@H]1CN(C(=O)[C@H](C)C(F)(F)F)C[C@H]1C(=O)O 263223729 PPLIGJMOEHPFEY-DSYKOEDSSA-N 253.220 1.364 0 50 CDAA CCc1occc1C(=O)NCC1(CO)CCOCC1 280669708 GDGVBPVWDVHIDQ-UHFFFAOYSA-N 267.325 1.361 0 50 CDAA CC[C@H](O)CN1CCN(Cc2cnc(Cl)s2)CC1 175448061 VYLRUDDFCASTNR-JTQLQIEISA-N 289.832 1.685 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCCNC2=O)cc(C)c1F 295347237 AIISBLHYMIRHAR-NSHDSACASA-N 264.300 1.451 0 50 CDAA CC(C)(C)N1CC[C@H](CNC(=O)CCCC(=O)O)C1 534633617 WBSCAXDTFMUBON-LLVKDONJSA-N 270.373 1.478 0 50 CDAA CN(C)c1nc(N)nc(CSc2ccccn2)n1 1064291 WEPXQGFDQWWODJ-UHFFFAOYSA-N 262.342 1.207 0 50 CDAA CC(C)CN1C(=O)C[C@H](Nc2ccc3c(c2)OCO3)C1=O 5016326 WICWTSHWRFWQMD-NSHDSACASA-N 290.319 1.611 0 50 CDAA CN(CC(=O)NCC(F)(F)c1n[nH]c2c1CCC2)C1CC1 2325802915 FBPJFBYYGKPENA-UHFFFAOYSA-N 298.337 1.201 0 50 CDAA c1cnc(-n2cccn2)c(CN[C@@H]2[C@H]3C[C@@H]4CN[C@@H]2[C@H]4C3)c1 925536812 GZPCKYHJXSQKOF-ZVDSWSACSA-N 295.390 1.353 0 50 CDAA CC(=O)c1c(C)nnn1-c1nonc1-c1ccccc1 173725 JQNWZQUKEVTNFH-UHFFFAOYSA-N 269.264 1.828 0 50 CDAA COc1ccc2c(c1)O[C@@](O)(C(F)(F)F)CC2=O 185374 NEVMHUGOCDUYCY-SNVBAGLBSA-N 262.183 1.911 0 50 CDAA O=C1C[C@H](C(=O)N2CCOCC2)C2(CCCCC2)O1 198177 XSVOGFYKOGCGOL-LLVKDONJSA-N 267.325 1.111 0 50 CDAA CNC(=O)C1=C(C)NC(=O)N[C@H]1c1c(F)cccc1Cl 306813 HYPOMXVOVZAHCP-LLVKDONJSA-N 297.717 1.853 0 50 CDAA CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCO1 617829 PHONKSMNECCVCD-GFCCVEGCSA-N 263.293 1.981 0 50 CDAA CC(C)c1nc(NC(=O)CN2CCCCCC2=O)no1 2356135957 ZXKHRQYQOCWVPO-UHFFFAOYSA-N 280.328 1.534 0 50 CDAA O=C(O)COc1ccc2c3c(c(=O)oc2c1)CCC3 2404215 ZNWNABLNHBCMBW-UHFFFAOYSA-N 260.245 1.745 0 50 CDAA CCCCN1C(=O)N(C)[C@@H]2[C@H]1N(C)C(=O)N2CCCC 2475899 BSLPDPNWYWWKDM-RYUDHWBXSA-N 282.388 1.974 0 50 CDAA CC(C)OC(=O)N1CCC(NC(=O)N(C)C)CC1 112688462 OLOIHVNZXRWIEJ-UHFFFAOYSA-N 257.334 1.267 0 50 CDAA CC(C)Cc1ccc(C(=O)N2C[C@@H]3CNC(=O)[C@@H]3C2)cc1 2356169222 NHIUGZDCWBADMW-LSDHHAIUSA-N 286.375 1.703 0 50 CDAA Cc1nc(C)n(C[C@H](C)C(=O)Nc2cccnc2)n1 8714413 LWHUEMYPEOMANJ-VIFPVBQESA-N 259.313 1.565 0 50 CDAA COc1ccccc1-c1noc([C@@H]2CCNC(=O)C2)n1 119081877 UQFZGGFNSUOQTE-SECBINFHSA-N 273.292 1.739 0 50 CDAA Cc1cc(F)cc(C(=O)N[C@@H]2CCC[C@@H]2CN)c1 135238598 KAKOCKWPGFATMI-ZWNOBZJWSA-N 250.317 1.991 0 50 CDAA CC(C)(C(=O)O)C(=O)NCC(F)(F)C(F)(F)F 116527402 ABUVVVBSIOAQES-UHFFFAOYSA-N 263.162 1.411 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc[nH]n1 249697918 VIRCNEDZRMUJOA-CHWSQXEVSA-N 262.357 1.499 0 50 CDAA CSc1nn(C)c(NC(=O)CC(C)(C)C)c1C(N)=O 118615414 RHTOXUXFHLBRLV-UHFFFAOYSA-N 284.385 1.616 0 50 CDAA CC(=O)NCC1=CCCN(CCn2cc(Cl)cn2)C1 65490475 SSXWMRQCFJGVSD-UHFFFAOYSA-N 282.775 1.305 0 50 CDAA CC(=O)NCCc1cn(-c2cccc([C@H](C)O)c2)cn1 65491334 GPWGCOWJHFIGGL-NSHDSACASA-N 273.336 1.604 0 50 CDAA CC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)cc1 652 DURULFYMVIFBIR-CYBMUJFWSA-N 266.341 1.383 0 50 CDAA biogenic,world CN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2)CC1 111161 ABIQOIQMOXNLQX-UHFFFAOYSA-N 286.372 1.540 0 50 CDAA CC1=NN(C(=O)Cn2ccc(C)n2)[C@@](O)(C(F)(F)F)C1 1012137 JNFLBNRRHFSPBR-JTQLQIEISA-N 290.245 1.051 0 50 CDAA COc1ccc([C@@H](C)C(=O)N2CC[C@@](F)(CO)C2)cc1 253392894 IUKBWUXFUFABID-ABAIWWIYSA-N 281.327 1.732 0 50 CDAA CN1CCN(C(=O)c2cccc(N)n2)C[C@H]1c1ccccc1 216341480 KQWKBTQDTDSHFC-HNNXBMFYSA-N 296.374 1.793 0 50 CDAA CNC(=O)C[C@H](NC(=O)c1cnc(C)[nH]1)c1ccccc1 435943980 REESUWIJZWETKM-LBPRGKRZSA-N 286.335 1.325 0 50 CDAA O=C1N(CCc2cscn2)C(O)=NC12CCSCC2 330239683 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CCC[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100591045 YAHWKRARLTZRHT-HHKYUTTNSA-N 263.293 1.047 0 50 CDAA COc1cccc(Cl)c1Cn1cnnc1[S@@](C)=O 225794948 IXUGZNMNMHFADW-GOSISDBHSA-N 285.756 1.726 0 50 CDAA O=C(NCc1cccnc1)C(=O)Nc1ccccc1F 2648329 AHIQTLCJNCAJQB-UHFFFAOYSA-N 273.267 1.476 0 50 CDAA CCc1nc[nH]c(=NC[C@H]2CCNCC2(F)F)c1F 420271522 CTLIZVYYNYHCTM-MRVPVSSYSA-N 274.290 1.257 0 50 CDAA CC[C@H](C)Cn1cnc2c(c1=O)CCN(C(C)=O)C2 328627751 NAWOWZUDAXTOSP-JTQLQIEISA-N 263.341 1.194 0 50 CDAA Cc1nn(C)cc1CN1CCC[C@@H](n2ccnn2)C1 331762989 BOQJXPOHMFJURL-CYBMUJFWSA-N 260.345 1.157 0 50 CDAA CCCc1noc(CCCC(=O)N2CC[C@@H](C(=O)O)C2)n1 236947104 SBJQUPDBEOMMGU-SNVBAGLBSA-N 295.339 1.278 0 50 CDAA O=C(c1noc2c1CCCC2)N1CC([C@H]2CCOC2)C1 684347558 UJNGMDVFDAHTRM-JTQLQIEISA-N 276.336 1.662 0 50 CDAA O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc[nH]c(=O)c1 153682802 LDHVZIYODSPZMB-UHFFFAOYSA-N 281.275 1.412 0 50 CDAA Cc1nccn1C[C@H]1CCCN1C(=O)CC1(CN)CC1 577176122 OTQILZSBBSLXKJ-CYBMUJFWSA-N 276.384 1.312 0 50 CDAA C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)O)n1cccn1 261866138 GNLIBLXRBHMBKN-RISCZKNCSA-N 299.330 1.655 0 50 CDAA O=C1C[C@H](NCc2cc[nH]c2)CN1Cc1ccccc1 370355661 RCIPRUOJYUGFSM-HNNXBMFYSA-N 269.348 1.905 0 50 CDAA COCCN1CC[C@H](NC(=O)NCc2ccc(C)s2)C1 265507757 FJFBDZRNXODUMM-LBPRGKRZSA-N 297.424 1.576 0 50 CDAA Cc1nn(CC(F)F)cc1C(=O)NCc1ccco1 929095273 UUOIWFNWYRQYKZ-UHFFFAOYSA-N 269.251 1.980 0 50 CDAA CO[C@@H]1CN(CC2C[C@H]3[C@H](C2)C3(F)F)C[C@H]1c1cnn[nH]1 930781946 ZKQCHLJCJADOGT-MRBYEJRBSA-N 298.337 1.510 0 50 CDAA CCN(CC)C[C@@H]1CCN(C(=O)Nc2cnnn2C)C1 931274841 IYLLLLIPGSILFD-NSHDSACASA-N 280.376 1.011 0 50 CDAA CC(=O)c1cccc(NC(=O)NCc2cnn(C)c2)c1 612035 ICZDJBFASIQCAZ-UHFFFAOYSA-N 272.308 1.944 0 50 CDAA NCC[C@@H]1CCCN(C(=O)c2c(O)cccc2O)C1 71755507 RJFKEWAIEGWVHV-JTQLQIEISA-N 264.325 1.299 0 50 CDAA Cn1nc(C(=O)O)cc1CN[C@@H](CO)C1CCCCC1 635309726 SRWIDRQZXHIBII-ZDUSSCGKSA-N 281.356 1.149 0 50 CDAA CCCS(=O)(=O)NCc1ccc2nsnc2c1 670451105 CVMNZEDKPUXFAV-UHFFFAOYSA-N 271.367 1.521 0 50 CDAA Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)c1C 907957736 QFGZYWVIORMCEG-ZRUFSTJUSA-N 277.324 1.256 0 50 CDAA CCc1cnc(CNS(=O)(=O)N(C)[C@H](C)C2CC2)[nH]1 1464532960 YOIATHRWNBVSNO-SECBINFHSA-N 286.401 1.037 0 50 CDAA COc1ccc(S(=O)(=O)NC[C@@H](C)O)c2ccccc12 12383526 QJTWQLHPFQTIBU-SNVBAGLBSA-N 295.360 1.508 0 50 CDAA Cc1nnc2n1C[C@H](C(=O)N[C@H]1CCCC13CC3)C2 2325781001 BFKRWOATMKXLDG-MNOVXSKESA-N 260.341 1.208 0 50 CDAA C[C@](O)(CNc1ncccc1C(=O)O)[C@H]1CCCOC1 2325788832 JZWLWMJGFBAMLD-HZMBPMFUSA-N 280.324 1.369 0 50 CDAA CN(Cc1conc1C1CCC1)C(=O)c1cc(O)ncn1 2325809877 WWIYMOVNOMLGEA-UHFFFAOYSA-N 288.307 1.710 0 50 CDAA COc1cc(OC)cc([C@@H]2N[C@@H](C(=O)O)CS2)c1 102452 LDAFEDIBZPMXFT-GHMZBOCLSA-N 269.322 1.492 0 50 CDAA Cc1cc(CNC(=O)c2ccc3c(c2)OCO3)nn1C 1053326 XYFXFLXJKMYGCC-UHFFFAOYSA-N 273.292 1.387 0 50 CDAA CC1(C)CCC(=O)[C@H]([C@@]2(O)C(=O)Nc3ccccc32)O1 2476431 QXTJREVNZXWUPV-IUODEOHRSA-N 275.304 1.353 0 50 CDAA CNC(=O)c1ccc(-c2cnc3cnccn23)cc1 2356159435 AIMYOOOWKDHJHO-UHFFFAOYSA-N 252.277 1.756 0 50 CDAA Cc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 2827404 HGKOUQNQRXBVBH-QMMMGPOBSA-N 273.383 1.234 0 50 CDAA CCOC(=O)CNC(=S)Nc1cccc(OC)c1 2858202 ZGCSLYHAOAXFAA-UHFFFAOYSA-N 268.338 1.545 0 50 CDAA CC(C)Sc1nc(N(C)C)nc(N2CCOCC2)n1 4838650 LLSJVWHUEJBIQU-UHFFFAOYSA-N 283.401 1.275 0 50 CDAA COc1cccc(CNC2CCCC2)c1OCC(N)=O 6747031 UCHXNDGLSKGGQX-UHFFFAOYSA-N 278.352 1.592 0 50 CDAA CCOC(=O)N1CCN(C(=O)c2ccccc2N)CC1 8703312 REPXBYRMAGIWFB-UHFFFAOYSA-N 277.324 1.183 0 50 CDAA COc1ccccc1/C=C/CN1CCC[C@H](C(N)=O)C1 23281611 OHVFDYSITWQQEJ-GBXSZLQWSA-N 274.364 1.906 0 50 CDAA O=C(O)c1ccc(CN2CCCC[C@@H]2CCO)o1 21499870 BRSHPNBLKPQXFZ-SNVBAGLBSA-N 253.298 1.715 0 50 CDAA Cc1ccc(CN2CCN(Cc3c[nH]c(C)n3)CC2=O)cc1 65502532 VGMYXIUDYKOCLP-UHFFFAOYSA-N 298.390 1.871 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(CCNC2=O)C1 64034228 QCRYPCJMEOXBJL-CYBMUJFWSA-N 254.330 1.524 0 50 CDAA Oc1cccc(CN2CC[C@](O)(CN3CCCCC3)C2)c1 77392939 XBDRDYYWYPCPLL-KRWDZBQOSA-N 290.407 1.815 0 50 CDAA Cn1ccc2c(-c3ccccc3S(N)(=O)=O)ccnc21 72125391 ZCJSKVIMAUDGBI-UHFFFAOYSA-N 287.344 1.888 0 50 CDAA CC(C)OC(=O)N1CCC(NC(=O)NC2CC2)CC1 112713748 WUOAXQJNZWALEC-UHFFFAOYSA-N 269.345 1.457 0 50 CDAA CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccncn1 425615019 YNELURRYDUUUGL-AWEZNQCLSA-N 296.374 2.000 0 50 CDAA Cc1cccc(CN(C(=O)[C@@H](N)CC(=O)O)C(C)C)c1 65527296 YUPASGFDTUQCID-ZDUSSCGKSA-N 278.352 1.534 0 50 CDAA Cc1cn(CCn2ccnc2-c2ccccc2C(=O)O)nn1 77519916 HDEBEYGFQJAOGG-UHFFFAOYSA-N 297.318 1.848 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1nc(C)no1 428650195 MYTKUGPFQGHHEY-UWVGGRQHSA-N 253.302 1.199 0 50 CDAA O=C(NC[C@H]1CCC[C@@H]1O)Nc1cnn(C(F)F)c1 357824086 WQPYZNDUTSKZEK-APPZFPTMSA-N 274.271 1.561 0 50 CDAA CCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35993513 WGLMSHBIMICEGP-UHFFFAOYSA-N 268.382 1.185 0 50 CDAA O=C(CCc1c[nH]c2ccccc12)NC[C@H]1COCCO1 38057489 LRAOLMXQXMHZCE-ZDUSSCGKSA-N 288.347 1.632 0 50 CDAA CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CCCCO1 122718401 NZHDMVKQVNSLKY-HNNXBMFYSA-N 291.395 1.541 0 50 CDAA C[C@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)C[C@@H](C)N1 154102511 IYWQTAPYDNFYJV-DVOMOZLQSA-N 288.391 1.899 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)C[C@H](O)Cc1ccccc1 328653040 WSHLJZKGFROIKP-DLBZAZTESA-N 299.418 1.981 0 50 CDAA NC(=O)c1noc([C@H]2CCCN2Cc2cccs2)n1 328623216 BSWDIEBUZJIFCO-SECBINFHSA-N 278.337 1.567 0 50 CDAA CCN1CCN(C(=O)c2cc(C)no2)C[C@@H]1c1ncc[nH]1 328628371 NRNXAYDLZOAFTA-LLVKDONJSA-N 289.339 1.225 0 50 CDAA CN1CCN(C(=O)c2cccn2C2CC2)C[C@H]1c1ncc[nH]1 328628542 NVCDNLIDTRSXSV-AWEZNQCLSA-N 299.378 1.675 0 50 CDAA CCO[C@@H]1C[C@H](N(C)C(=O)C2(C(=O)O)CC2)C1(C)C 154919531 UKVXUXOYLUCGKD-VHSXEESVSA-N 269.341 1.513 0 50 CDAA COCc1cc(NCCc2ccccn2)n2nccc2n1 72411794 CKANWDQBHYFQTA-UHFFFAOYSA-N 283.335 1.925 0 50 CDAA C[C@@H](CN(C)c1ccc(S(C)(=O)=O)cc1F)C(=O)O 261594099 NJIYVOXDZMFYDJ-QMMMGPOBSA-N 289.328 1.386 0 50 CDAA Cc1cc(N2CCC(O)(C(=O)O)CC2)c2ccccc2n1 71760330 YZADGXIRGJTNGF-UHFFFAOYSA-N 286.331 1.959 0 50 CDAA CC(C)[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1nccn1C 219767762 JYOWJMVFGXXTRN-ZDUSSCGKSA-N 298.350 1.819 0 50 CDAA C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 174268319 WBDOHDYYSQUUOZ-MVWJERBFSA-N 276.336 1.512 0 50 CDAA Cc1nc([C@H]2COCCN2Cc2ccc3c[nH]nc3c2)no1 378542073 TVJGOEMLVMLYNO-CQSZACIVSA-N 299.334 1.828 0 50 CDAA Cc1cc(C(=O)N[C@H]2CC[C@H]2N)cc2sc(N)nc12 72163894 HGADOLWUBNCELK-BDAKNGLRSA-N 276.365 1.406 0 50 CDAA CCOC(=O)N1[C@H]2C=C[C@@H]([C@@H]3C=C[C@@H]32)N1C(=O)OCC 216348535 RDLHYUWUQQZKHO-USZNOCQGSA-N 278.308 1.941 0 50 CDAA Cc1nc2n(c1C)CCN(C(=O)[C@H](O)c1ccccc1)C2 375886096 XXTBIVKTEOQPDL-OAHLLOKOSA-N 285.347 1.576 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN[C@@H](C)C1 237769705 GAPDQLJWCSOKMW-QEJZJMRPSA-N 258.365 1.919 0 50 CDAA C[C@H]1CCCN(C(=O)c2cc(C(N)=O)cs2)[C@H]1CN 237711605 VQXAWVMHOBYPLL-WPRPVWTQSA-N 281.381 1.046 0 50 CDAA CN1CC[C@]2(CCN(C(=O)C3CCN(C4CC4)CC3)C2)C1 335961731 IZDDOBSCLVNKMQ-KRWDZBQOSA-N 291.439 1.415 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)CN1CCCCc1ccccc1 228614369 MPIXRVLEPWQPNS-KGLIPLIRSA-N 263.337 1.529 0 50 CDAA O=C(NCCc1ccccc1)c1cc2c([nH]c1=O)CCC2 49543809 CHYBETBVHQTBBP-UHFFFAOYSA-N 282.343 1.836 0 50 CDAA biogenic Cc1cc(CN2CC[C@@H](Nc3ncccn3)C2)ccn1 529609195 CFKDCGOLHDPGTB-CQSZACIVSA-N 269.352 1.866 0 50 CDAA O=C([C@H](O)c1ccccc1)N1CCC[C@H]1c1ccc(O)nn1 530078409 GJSWJDXGPYSFCI-DZGCQCFKSA-N 299.330 1.579 0 50 CDAA CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@H](C(=O)O)C2)s1 178265892 MARPQUKVXUAWBX-IUCAKERBSA-N 298.364 1.706 0 50 CDAA CCCc1cc(C(=O)NC[C@@H](O)c2cccnc2)no1 82097642 PSRFBWZLHRLVAR-CYBMUJFWSA-N 275.308 1.486 0 50 CDAA CNc1ccc(C(=O)N2CCOCC(F)(F)C2)cn1 290752195 YRLYNWVYOFSZOO-UHFFFAOYSA-N 271.267 1.231 0 50 CDAA Cc1nc(C)c(CN2CCN(C)[C@H](CCO)C2)s1 42963213 LTGUWMFENGJQDO-GFCCVEGCSA-N 269.414 1.258 0 50 CDAA O=C(NCc1ccc2nsnc2c1)c1n[nH]c2c1CCC2 426444708 VTVBMUHOJFRWME-UHFFFAOYSA-N 299.359 1.833 0 50 CDAA CN(C(=O)c1cc(=O)[nH]c2cc(F)ccc12)[C@@H]1CCNC1 179070953 HODULIHFLGRSEY-SNVBAGLBSA-N 289.310 1.101 0 50 CDAA Cc1nnc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)s1 239165065 NJYSFOZXGNKPHG-XSOQRLTHSA-N 287.344 1.404 0 50 CDAA Cc1cnccc1CN1C(=O)COc2cccnc21 95390740 MXVSQPPRNOOZNT-UHFFFAOYSA-N 255.277 1.711 0 50 CDAA Cc1cnn(CCNC(=O)[C@H]2COc3ccccc3C2)c1 91808762 USCLQZFXWACDMO-CQSZACIVSA-N 285.347 1.559 0 50 CDAA C[C@@H](Cn1cncn1)NC(=O)Nc1cc(C2CC2)nn1C 96152677 FVGYMRGFMKBYKQ-VIFPVBQESA-N 289.343 1.099 0 50 CDAA CSCCc1nc(CC(N)=O)nn1-c1ccccc1C 95513303 VUHGZAWRDAYCSB-UHFFFAOYSA-N 290.392 1.509 0 50 CDAA CCC[C@H](Nc1cc(C(C)C)nc(N)n1)C(=O)NC 95381392 MPZXPYNIOAQANM-VIFPVBQESA-N 265.361 1.509 0 50 CDAA CC(C)OC(=O)[C@@H]1C(=O)N[C@@]2(C)C[C@H]1c1ccccc1O2 239358388 NEGZZQMCPMSSSJ-DETPVDSQSA-N 289.331 1.967 0 50 CDAA OCc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@H]2O)cc1 332003631 VUMDTISMRULUBQ-ZACQAIPSSA-N 291.391 1.541 0 50 CDAA COCc1noc(CN2C(=O)OC[C@@H]2C(C)C)n1 95520260 XQRNIPSMFLMYRL-MRVPVSSYSA-N 255.274 1.193 0 50 CDAA CC[C@@]1(CO)CCCN(c2cc(OC)nc(N)n2)C1 91691308 JUBHPVZSGCIYPS-CYBMUJFWSA-N 266.345 1.056 0 50 CDAA Cc1noc([C@H]2CC(=O)N(Cc3cccnc3)C2)n1 96150706 YWPRJXGUDXOCLQ-NSHDSACASA-N 258.281 1.289 0 50 CDAA CCn1ccc(CN2CCN(c3cccc(O)c3)CC2)n1 244734624 NJASAPTUENTOAV-UHFFFAOYSA-N 286.379 1.931 0 50 CDAA O=C(CCn1cnnn1)N1CCc2c([nH]c3ccccc23)C1 524734312 RYTIWDMKUPRUBW-UHFFFAOYSA-N 296.334 1.129 0 50 CDAA COC[C@@H](c1ccccn1)N(C)CCc1cn[nH]c1 252499169 RWNGRKOVDDNREV-AWEZNQCLSA-N 260.341 1.667 0 50 CDAA Cc1noc([C@H]2CN(CCc3cncn3C)C[C@@H](C)O2)n1 625912991 PELXJPXQAWYXDY-ZWNOBZJWSA-N 291.355 1.116 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCO1 299740510 BELJSBJJGVHPNZ-XQQFMLRXSA-N 293.294 1.241 0 50 CDAA CC[C@@H](C(=O)NCc1ncc(C)c(O)c1C)n1cccn1 252508517 XOLYEAONPMSIFZ-ZDUSSCGKSA-N 288.351 1.868 0 50 CDAA CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 54178089 PZUOSGIOVRBFKH-UHFFFAOYSA-N 272.304 1.181 0 50 CDAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CCC(F)(F)F 534674475 PVWXTVCCVZUPLV-HTQZYQBOSA-N 264.247 1.265 0 50 CDAA Cc1cccc2oc(CNC(=O)C3(C)COC3)nc12 534650035 VUEWXVGIUDSNMH-UHFFFAOYSA-N 260.293 1.789 0 50 CDAA CN(C)C1(CNC(=O)Cc2ccc(CO)cc2)CCCC1 534581024 PMKCOTOSSXTVHL-UHFFFAOYSA-N 290.407 1.712 0 50 CDAA CC[C@@H]1CCCN1Cc1cnc(N(C)CC(=O)O)nc1 534585896 RCSXCZZVMOEOKA-GFCCVEGCSA-N 278.356 1.372 0 50 CDAA CC(C)(C(=O)NCCC(=O)O)c1ccc2c(c1)OCCO2 268914632 PCQWJSLFJWPACY-UHFFFAOYSA-N 293.319 1.326 0 50 CDAA Cc1cccc([C@H](CNC(=O)c2cncnc2)N(C)C)c1 534637756 AIKWFYVHQFXSFY-HNNXBMFYSA-N 284.363 1.818 0 50 CDAA O=C(NCC1(CN2CCCC2)CC1)[C@H](O)C1CCCCC1 534676121 GKFSLWVQNOTZRB-OAHLLOKOSA-N 294.439 1.920 0 50 CDAA Cc1c(S(=O)(=O)NCc2cc(C3CC3)on2)cnn1C 534643540 AXYFXHRIRGNHJM-UHFFFAOYSA-N 296.352 1.072 0 50 CDAA CN1CC[C@H]2CCN(C(=O)Nc3nccs3)[C@H]2C1 272510262 YIIYOZHSONORBC-UWVGGRQHSA-N 266.370 1.701 0 50 CDAA COc1cc(Cl)cc(C(=O)N[C@H]2COC[C@@H]2OC)c1 294680211 LVQFPGRZPHVKJT-RYUDHWBXSA-N 285.727 1.492 0 50 CDAA Cc1nccn1CCNC(=O)N(C)C[C@H]1CCCCO1 299670715 UNLSAFDOXVGTFU-CYBMUJFWSA-N 280.372 1.402 0 50 CDAA COc1ccc(F)cc1C(=O)N1CCO[C@H](CC(=O)O)C1 269055490 XGQVGKYHDRKODS-SNVBAGLBSA-N 297.282 1.150 0 50 CDAA CC[C@@H](C(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N(C)CC 822551422 KFALHNYTMLEXKB-FECGAJCESA-N 294.439 1.917 0 50 CDAA O=C(CN1CCCCCC1)NC[C@@H]1CCCOC1 827832308 XJEYSSILSKUCPW-ZDUSSCGKSA-N 254.374 1.405 0 50 CDAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1c(C)ncn1C 584886622 MGTBAWHCCWMWNM-QMMMGPOBSA-N 275.356 1.570 0 50 CDAA OC[C@H]1CCCN(CCNc2ncc(Cl)cn2)C1 670452038 XBDNBIJQMGIINO-JTQLQIEISA-N 270.764 1.246 0 50 CDAA COc1coc(CN(C)Cc2c(C)nn(C)c2C)cc1=O 670439327 UABJDFZIDMTZLM-UHFFFAOYSA-N 291.351 1.631 0 50 CDAA CCC(CC)N1C[C@@H](C(=O)N[C@H](C)c2cn[nH]c2)CC1=O 270225656 MDGYKSZURQNXBH-MNOVXSKESA-N 292.383 1.624 0 50 CDAA CCOc1ccnc(N2CCN(c3ccccc3)C(=O)C2)n1 670461911 YNLLZHCBDTUKGM-UHFFFAOYSA-N 298.346 1.729 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2c(C)ncn2C)CC1 670448637 UFWIUBBIEYDONV-HAQNSBGRSA-N 292.383 1.011 0 50 CDAA N[C@H]1CCCC12CCN(C(=O)[C@@H]1CC[C@H](C(=O)O)C1)CC2 1875290727 AQRGOTINDNKDFA-AGIUHOORSA-N 294.395 1.607 0 50 CDAA Cn1nncc1CN=[S@](C)(=O)c1ccccc1 1875274956 GALGOMBAVFOBOG-QGZVFWFLSA-N 250.327 1.472 0 50 CDAA O=C(NC[C@H]1CCCC12CC2)c1nc[nH]c2ncnc1-2 1875282344 ZEQSMDATLVANTL-SECBINFHSA-N 271.324 1.615 0 50 CDAA O=C(N[C@@H]1C(F)(F)C12CC2)c1cnc(C2CCC2)nc1O 1875311618 HHPBOMGPJUDLQC-LBPRGKRZSA-N 295.289 1.977 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCC=C(C)C2)CC1 1875365468 NJROFVHJIGAZBD-UHFFFAOYSA-N 262.353 1.590 0 50 CDAA C[C@H]1Cc2cc(NC(=O)Cn3cccnc3=O)ccc2O1 885603242 DQXJSQVCFWTPTN-JTQLQIEISA-N 285.303 1.205 0 50 CDAA COc1cccc(C)c1C(=O)NCCC(=O)N1CCCC1 952982616 LQBZIGBMHAJMJS-UHFFFAOYSA-N 290.363 1.746 0 50 CDAA Cc1nccn1CCCN(C)C[C@H]1CCCCN1C 243956736 CCZLXCAKDBMDIK-OAHLLOKOSA-N 264.417 1.998 0 50 CDAA CCO[C@H]1CCN(C(=O)Cc2c(C)n[nH]c2C)C1 885351724 VHOONRHNXMNXLY-NSHDSACASA-N 251.330 1.206 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(=O)NC2CC2)C1 888102819 ONBANUJKZVOWNO-OLZOCXBDSA-N 292.383 1.067 0 50 CDAA COc1ccc(CCCC(=O)N[C@H]2COCC[C@@H]2O)cc1 1181217816 NNJTZXAOSMPXDV-GJZGRUSLSA-N 293.363 1.284 0 50 CDAA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1CC1CC1 1775957008 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C[C@H](NC(=O)[C@@H](C(=O)O)C1CCCC1)C1CCN(C)CC1 663113145 GPTFUNQYNNLDSI-FZMZJTMJSA-N 296.411 1.724 0 50 CDAA c1ccc2c(CN[C@@H]3CCc4c[nH]nc4C3)n[nH]c2c1 675156058 WNXAFYMISMNQSO-LLVKDONJSA-N 267.336 1.933 0 50 CDAA O=C(NCc1c(C(=O)O)oc2ccccc12)c1ccnnc1 776638924 BBUGOAOCFALJAA-UHFFFAOYSA-N 297.270 1.851 0 50 CDAA CN(C)[C@H]1CC[C@@H](NC(=O)OC2CCOCC2)C1 585084892 YQXGGLWSHBAAQD-MNOVXSKESA-N 256.346 1.374 0 50 CDAA CC(C)c1cc(C(=O)N[C@@H](CO)Cc2cncs2)no1 585135325 BRLZSWOXWBHENB-SECBINFHSA-N 295.364 1.588 0 50 CDAA Cc1cc(C)n(CCCN(C)c2ccc(C(=O)O)nn2)n1 1506426480 HJQFADPENQCBGJ-UHFFFAOYSA-N 289.339 1.515 0 50 CDAA Cc1cc(C)n(C[C@H](C)N2CCOC3(CCNCC3)C2)n1 1506396356 RXMRIVYIZWBZRK-HNNXBMFYSA-N 292.427 1.343 0 50 CDAA CC[C@@](C)(CN1CCN(C)[C@H](c2nc(C)no2)C1)OC 606446219 KZLHBBVCVHZNEE-JSGCOSHPSA-N 282.388 1.482 0 50 CDAA O=C(CCc1cc(Cl)no1)N1CC[C@@H]2CNC[C@@H]21 216383780 XJQWSEFIYAQBQH-SCZZXKLOSA-N 269.732 1.081 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)N(C)CC1(O)CCOCC1 408383118 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JOOIGCFIYCFPJJ-UHFFFAOYSA-N 251.355 1.724 0 50 CDAA COC(=O)c1ccc(CN2C(=O)COc3ccccc32)o1 5060365 CNFRKLNBNZHKBQ-UHFFFAOYSA-N 287.271 1.992 0 50 CDAA CSCCC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 19113076 VNLOQMQFQPBFGJ-CYBMUJFWSA-N 296.367 1.578 0 50 CDAA OCC[C@@H]1CNCCN1Cc1ccc(F)c(F)c1 19367997 GUXIIDOQCZJWFE-LLVKDONJSA-N 256.296 1.121 0 50 CDAA Cn1nccc1CCC(=O)N1CCN(c2ccncc2)CC1 163660469 IWGLZCUSKJGWMK-UHFFFAOYSA-N 299.378 1.097 0 50 CDAA CN1C[C@]2(CCN(c3cnc4ccccc4n3)C2)OC1=O 1857678960 OAAJRVJPHFOUIM-HNNXBMFYSA-N 284.319 1.661 0 50 CDAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1ccc2[nH]ccc2c1 616770667 FQMCOOWSUYEHDW-RRFJBIMHSA-N 296.330 1.469 0 50 CDAA CCc1cc(O)nc(CN(C[C@H]2CCCN2)C2CC2)n1 328607774 XBAUEWSRGXOOHJ-GFCCVEGCSA-N 276.384 1.461 0 50 CDAA OC[C@H]1CC(F)(F)CN1Cc1ccc(-c2cc[nH]n2)o1 378567446 BXEUOGNCSSNGDW-SECBINFHSA-N 283.278 1.872 0 50 CDAA OC[C@@H](O)C1CCN(Cc2nc3c(s2)CCCC3)CC1 1772710172 PBHXREQYEPZMEN-CYBMUJFWSA-N 296.436 1.587 0 50 CDAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)Cc1cncn1C 806873282 YNPBGNAFTOCNCJ-AWEZNQCLSA-N 285.351 1.255 0 50 CDAA C[C@@H]1CCOCCN1C(=O)c1ccc(-c2cnn(C)c2)o1 827828707 DLYZNHFMXMAVEJ-LLVKDONJSA-N 289.335 1.931 0 50 CDAA Cn1nncc1NC(=O)N1CCC[C@@H]1c1ccc(O)cc1 931277501 PZEDMVQSSRJDLI-GFCCVEGCSA-N 287.323 1.890 0 50 CDAA CCN1CCC[C@H]1CN(C)C(=O)c1cnccc1N 128118840 REFZYKRGGMUCCK-NSHDSACASA-N 262.357 1.220 0 50 CDAA COc1ccccc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 12683795 BLRDBQDZQBCKHV-TXEJJXNPSA-N 278.352 1.743 0 50 CDAA C[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCS1(=O)=O 155369566 YBYFRGXRORRRLW-NSHDSACASA-N 297.376 1.077 0 50 CDAA Cc1nc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)sc1C 263187782 IBRGYYARXNCURL-ZJUUUORDSA-N 282.365 1.877 0 50 CDAA OC[C@@H]1COCCN1Cc1cnn(-c2ccccc2)c1 168847381 QEILQAAPCGOOTG-OAHLLOKOSA-N 273.336 1.065 0 50 CDAA O=C(O)c1ccc(OCCNC(=O)[C@@H]2CCCO2)cc1 560218259 RHIKNYOIQZCUSA-LBPRGKRZSA-N 279.292 1.059 0 50 CDAA CCOC(=O)CCCN1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3OC 367137396 IAKFTHCGTQMINR-QIRZIZBZSA-N 267.369 1.685 0 50 CDAA Cc1ccc(CNc2nc(N)nc(Cl)c2N)nc1C 1365230607 WEZLTZRRBXOYPH-UHFFFAOYSA-N 278.747 1.918 0 50 CDAA Clc1cccc(-c2nc(N3CCOCC3)n[nH]2)c1 2100473180 DKUAAUBYJRBNAM-UHFFFAOYSA-N 264.716 1.962 0 50 CDAA COc1cc(N2CC3(COc4ccccc4C3)C2)[nH]c(=N)n1 2100537424 MZGBTSYAMVACGI-UHFFFAOYSA-N 298.346 1.339 0 50 CDAA c1cc2c(cc1-c1nnc3n1CCOCC3)OCO2 594639182 FCUFMBXAOJYMJJ-UHFFFAOYSA-N 259.265 1.247 0 50 CDAA C[C@H]1CCN2N=C(C(=O)N[C@@H]3CCc4ccccc43)NC2=N1 2325804667 DFJILORDQNSBRP-GXFFZTMASA-N 297.362 1.157 0 50 CDAA C[C@H](Oc1ccccc1)c1nnnn1Cc1cocn1 2325822267 NEUDITTVRUVEQM-JTQLQIEISA-N 271.280 1.849 0 50 CDAA COC(=O)c1cn(-c2ccccc2)nc1C(=O)OC 48235 VABYYEHSSHPDRI-UHFFFAOYSA-N 260.249 1.446 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccc(C)o2)S1 89928 UVKAMGZXETWWGX-GFCCVEGCSA-N 281.337 1.763 0 50 CDAA C[C@@H](Cc1ccccc1F)N1CCC(C(N)=O)CC1 216029 VKPHURPXJFTRQJ-NSHDSACASA-N 264.344 1.954 0 50 CDAA O=c1sc2cc(Br)ccc2n1CO 389898 SALGXFSKOASVFN-UHFFFAOYSA-N 260.112 1.775 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)s1 475864 LZMSPJFUNFTFCQ-YUMQZZPRSA-N 269.326 1.676 0 50 CDAA Fc1cnc(Nc2ccccn2)nc1N1CCOCC1 565925 BBLJFMFPPWBTPR-UHFFFAOYSA-N 275.287 1.591 0 50 CDAA COCCOCCN1Cc2ccccc2CCC1=O 2356134138 ABQIRWGRRDASLV-UHFFFAOYSA-N 263.337 1.624 0 50 CDAA Cc1cc(C)n([C@@H]2CCN(Cc3cccc4ncnn34)C2)n1 2356138285 IEFHBXVCIMSJGO-OAHLLOKOSA-N 296.378 1.990 0 50 CDAA O=C1N[C@@](O)(C(F)(F)F)C(=O)N1C1CCCCC1 2867245 CCBANFJXERISCA-VIFPVBQESA-N 266.219 1.122 0 50 CDAA CC(=O)N1CCC[C@]12CCCN(Cc1ccccn1)C2=O 2356159478 CIFGCGPMCPFEKT-INIZCTEOSA-N 287.363 1.585 0 50 CDAA CC(C)(CO)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 3602671 BWURCANZQUYPLR-JTQLQIEISA-N 293.194 1.970 0 50 CDAA in-vitro C[C@@H]1CN(C2CC2)CCN1C(=O)c1ccc2ncnn2c1 2356164782 GRYPJVBDYZQZFT-LLVKDONJSA-N 285.351 1.038 0 50 CDAA CCCn1cnnc1CNC(=O)c1ccc2ccccn12 2356168110 PYLYKPZQNQCZOI-UHFFFAOYSA-N 283.335 1.871 0 50 CDAA CCS(=O)(=O)N1CCC(N2CCC[C@@H](C)C2)CC1 4744108 KJHRSAIJHNPEJG-GFCCVEGCSA-N 274.430 1.532 0 50 CDAA CCn1cc(S(=O)(=O)N2CCc3ccccc3C2)cn1 6730311 JHQJPPFGUUVHIQ-UHFFFAOYSA-N 291.376 1.650 0 50 CDAA CC(C)(C)n1cc(CN2C[C@@H](F)C[C@H]2CO)cn1 344849598 DQZBHHOHHMBGBI-RYUDHWBXSA-N 255.337 1.543 0 50 CDAA CC(C)(C)OC(=O)[C@H]1[C@H]2C=C[C@H]1C1(C2)OCCO1 101141126 YTHJXNNNDJUOFV-AXFHLTTASA-N 252.310 1.893 0 50 CDAA CC(=O)Nc1cccc(NC(=O)CSc2ncn[nH]2)c1 10861711 BSXSZLXCAZXXEJ-UHFFFAOYSA-N 291.336 1.494 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCC[C@H]1C(N)=O 242167661 WYMKZSHLTVPKQF-AGIUHOORSA-N 281.400 1.021 0 50 CDAA COc1ccc(-c2noc(N3CC[C@@H]([C@H](C)N)C3)n2)cc1 420226617 ANPFYUXUHOOROK-CMPLNLGQSA-N 288.351 1.919 0 50 CDAA CCCCN1C(=O)[C@@H]2CCC3(C[C@H]2C1=O)OCCO3 103088131 IZHNAPDZZOPIEK-GHMZBOCLSA-N 267.325 1.315 0 50 CDAA CCN1CC[C@H](CN(CC)Cc2nccn2C)C1 65404652 MSNKTVJDMNCVSZ-ZDUSSCGKSA-N 250.390 1.584 0 50 CDAA Cn1nccc1C(=O)N1CCC(C(F)(F)F)CC1 173461652 NVNJTAREMDVWRE-UHFFFAOYSA-N 261.247 1.835 0 50 CDAA COC(=O)CSc1ncc(Br)cn1 67119990 SHZYOGIHHUWRLF-UHFFFAOYSA-N 263.116 1.504 0 50 CDAA 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Cc1cncc(CNC(=O)N[C@H]2CCO[C@H]2C2CC2)c1 242292523 YMXMLNLQPOIIAY-KBPBESRZSA-N 275.352 1.757 0 50 CDAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C(=O)O)CC=CC1 663103814 FOMRUDDPADLFFN-ZYHUDNBSSA-N 278.352 1.006 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC[C@H](C(=O)O)C1 136166108 OSQPIRUOUZILBX-AGIUHOORSA-N 283.368 1.905 0 50 CDAA CCc1n[nH]cc1C(=O)NC[C@]1(C)CCCC[C@H]1O 584907290 MHTLKFQWUVVQRN-OCCSQVGLSA-N 265.357 1.643 0 50 CDAA C[C@@H](NC(=O)c1cccc(C(=O)O)c1)[C@H]1CCOC1 161032455 ZWWFFGRRVJKEMD-SKDRFNHKSA-N 263.293 1.540 0 50 CDAA Cn1nccc1-c1ccnc(NC[C@]23CCC[C@H]2NCC3)n1 900357868 FGSCQWNBPYVHML-GDBMZVCRSA-N 298.394 1.821 0 50 CDAA COC(=O)CC1CCN(Cc2cc(C)nn2C)CC1 1205890861 QPAOXEYTQRNINO-UHFFFAOYSA-N 265.357 1.504 0 50 CDAA Cn1nnc(CNC(=O)Nc2ccc3occc3c2)n1 1219806938 AWMGPFYEEPRGHY-UHFFFAOYSA-N 272.268 1.278 0 50 CDAA CO[C@@H]1C[C@H]1C(=O)N1CCC(c2nc(C)c(C)[nH]2)CC1 829681386 CAFYXYAAOSTPHX-CHWSQXEVSA-N 277.368 1.767 0 50 CDAA CCCCNC(=O)Cn1c(=O)n(C)c2ccccc21 2439828 FJSOURWHZVMAHR-UHFFFAOYSA-N 261.325 1.256 0 50 CDAA aggregator CN1CCC[C@H](CN(C)C(=O)[C@@H](N)c2ccccc2)C1 237122745 WEEYJRVVIVIRKZ-ZFWWWQNUSA-N 275.396 1.487 0 50 CDAA O=c1c2cccc(C(F)(F)F)c2ncn1[C@H]1CCNC1 42963324 FZFPKRLKDHAHPE-QMMMGPOBSA-N 283.253 1.950 0 50 CDAA CCS(=O)(=O)c1ccccc1C(=O)NC[C@H]1CCCO1 32497055 ZLCOKKDFSWHIKQ-LLVKDONJSA-N 297.376 1.389 0 50 CDAA CNC[C@H]1CCN(C(=O)CCOc2ccccc2F)C1 178977800 KNYWCXSVLMERAA-GFCCVEGCSA-N 280.343 1.663 0 50 CDAA CCOc1ccc(NS(=O)(=O)c2ncc[nH]2)c(C)c1 312023920 ZKOVXWKMCJXDLU-UHFFFAOYSA-N 281.337 1.918 0 50 CDAA CCC1(C(=O)O)CCN(C(=O)[C@@H](O)CCSC)CC1 426490345 SEMYWLFBJSRQNF-JTQLQIEISA-N 289.397 1.204 0 50 CDAA CC[C@H](OC)C(=O)Nc1ccc(O)c(C(=O)O)c1 633138316 JVVFKWSTPFMWLE-JTQLQIEISA-N 253.254 1.454 0 50 CDAA CCc1ncnc(N[C@H]2CCn3nccc3C2)c1F 585382348 HKMJWNIQLWSRJY-VIFPVBQESA-N 261.304 1.802 0 50 CDAA COc1cccc(NC(=O)CSc2nncn2C)c1 410972 CKTHRRYNBOBDEL-UHFFFAOYSA-N 278.337 1.555 0 50 CDAA O=C([C@@H]1CCCN(C(=S)NC2CC2)C1)N1CCCC1 2890734 KOHGVBAUUHCCLJ-LLVKDONJSA-N 281.425 1.358 0 50 CDAA O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)[C@@H]1CCCS1 712994545 BGPGWINOXOZHQI-ARHDFHRDSA-N 255.339 1.252 0 50 CDAA C[C@H](Cc1ccccn1)NC(=O)C[C@H]1C=C[C@@H](N)C1 2325797637 JVECZBZPGGLDIJ-FRRDWIJNSA-N 259.353 1.422 0 50 CDAA CO[C@@H]1CNC[C@H]1NC(=O)C1CC(C)(c2ccccc2)C1 2325815708 DJNAOXLICFCHLP-QJKCGZJTSA-N 288.391 1.457 0 50 CDAA OC[C@H](O)CNc1nc(-c2cccnc2)nc2ccccc12 208267950 LKMHVTFVMYYQGV-GFCCVEGCSA-N 296.330 1.457 0 50 CDAA CN1C[C@@]2(CSCc3sccc32)OC(=O)C1=O 1857795686 QOGKZHUEMYMHBR-NSHDSACASA-N 269.347 1.205 0 50 CDAA COc1ccc(I)cc1C(=O)O 2583732 FVEBPHMWZVPXQS-UHFFFAOYSA-N 278.045 1.998 0 50 CDAA O=C(O)CCC(=O)NCC1(c2ccccc2)CCOCC1 379483 CILPCPNHVJCBEN-UHFFFAOYSA-N 291.347 1.716 0 50 CDAA O=C(CSc1ncccn1)NCc1ccccc1 379573 PZPGWSMHSGZFBT-UHFFFAOYSA-N 259.334 1.885 0 50 CDAA CNC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 621705 CRZRQNIHNLJSOL-UHFFFAOYSA-N 292.360 1.206 0 50 CDAA CC1(C)O[C@H]2[C@H](O)[C@H](OCc3ccccc3)OC[C@H]2O1 1319661 HFTMCJJTIGIBFH-XJFOESAGSA-N 280.320 1.441 0 50 CDAA COc1ccc(C)cc1NC(=O)C[C@H]1SCCNC1=O 2210912 DTQPDMKHCOIGOZ-GFCCVEGCSA-N 294.376 1.564 0 50 CDAA Cc1cc2c(N3CCC(C(N)=O)CC3)ncnc2s1 2877388 ZOGBFXXCSFMFHU-UHFFFAOYSA-N 276.365 1.701 0 50 CDAA CN1CC[C@@H](O)[C@H](C(=O)NCc2ccccc2Cl)C1 2356159926 WDIZJDMTKSQURH-DGCLKSJQSA-N 282.771 1.269 0 50 CDAA COc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1OC 4839363 AFHZUDVQQAPRFQ-QMMMGPOBSA-N 265.265 1.141 0 50 CDAA CCCCS(=O)(=O)Nc1ccc2c(c1)OCO2 6699731 QTKSYDKEFIUWBI-UHFFFAOYSA-N 257.311 1.957 0 50 CDAA Cc1cccc(OC2CN(C(=O)[C@@H]3[C@H]4CNC[C@H]43)C2)c1 102626280 MZSATIOUPQJUQY-FICVDOATSA-N 272.348 1.050 0 50 CDAA COc1ccc(CCNc2ccc3nncn3n2)cc1OC 27748067 WEXJXEYPWMMRGT-UHFFFAOYSA-N 299.334 1.796 0 50 CDAA O=C(NCCn1cnc2ccccc2c1=O)c1ccco1 20745937 RZCWMJQGITXHMA-UHFFFAOYSA-N 283.287 1.420 0 50 CDAA CCCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C1CCCC1 67805448 QHKSPRNLDMMKFG-LBPRGKRZSA-N 287.425 1.992 0 50 CDAA CCOC(=O)N1CCC(N[C@H](C)c2ncnn2CC)CC1 65405643 FXMFTDAQOPUMIF-LLVKDONJSA-N 295.387 1.570 0 50 CDAA C[C@@H](NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)C1CC1 136907548 RQMWXPIZGYGBOJ-RTXFEEFZSA-N 292.379 1.466 0 50 CDAA Cc1cc(NCCCN2CCCC2)nc(N(C)C)n1 65527810 QEARGEJPOWLEQO-UHFFFAOYSA-N 263.389 1.749 0 50 CDAA C[C@H](CN[C@@H]1CC(C)(C)OC1(C)C)CS(C)(=O)=O 119688612 LAXFCYYZKNBCRH-GHMZBOCLSA-N 277.430 1.603 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)C1(N2CCCC2)CCCC1 67688674 CECYZJALJJFKIL-KBPBESRZSA-N 296.411 1.315 0 50 CDAA CCOc1ccc(OC[C@@H](O)CN2CCC[C@@H](O)C2)cc1 229659353 UGJXZGUOUDCHQA-KGLIPLIRSA-N 295.379 1.282 0 50 CDAA CN1CCC[C@@H]1C(=O)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 252477691 UEDMSVQHRBCLJD-JONQDZQNSA-N 291.439 1.413 0 50 CDAA COc1nccc(NC(=O)N2CCC[C@@H](OC)C2)n1 282762521 WBCFFVIZSQVQIU-SECBINFHSA-N 266.301 1.128 0 50 CDAA CN(C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 252570796 XFZAHAUWJCBQKR-SNVBAGLBSA-N 286.328 1.159 0 50 CDAA Nc1nnc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)s1 20204052 PCHWOYGFCZQXON-ZETCQYMHSA-N 278.312 1.780 0 50 CDAA CCc1nc(C)c(C(=O)N(C)CCn2cccn2)s1 65408894 LZSQVWLFOKERRL-UHFFFAOYSA-N 278.381 1.983 0 50 CDAA C=CC(=O)N1CCc2cc(OC)c(OC)cc2CC1 146962069 IPUQJGRASLXTSW-UHFFFAOYSA-N 261.321 1.817 0 50 CDAA C[C@@]1(Cn2cnc3ccccc3c2=O)NCCc2[nH]cnc21 67894258 MXSDGHMKUREPQR-INIZCTEOSA-N 295.346 1.181 0 50 CDAA O=C(O)C[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)F 307674091 CGCIKMDNQUXNNN-RQJHMYQMSA-N 253.220 1.698 0 50 CDAA O=C(NC(=S)NCCc1ccccn1)c1ccccc1 71347 OGVUIDNTSOFGOQ-UHFFFAOYSA-N 285.372 1.929 0 50 CDAA CC(=O)O[C@H]1CSC[C@@H]1NC(=O)c1ccccc1 323692 LXWGFYRUAGBBNK-RYUDHWBXSA-N 265.334 1.464 0 50 CDAA biogenic CC(=O)NCC1=CCCN(Cc2noc(C(C)(C)C)n2)C1 65407675 PGQUKYAJQNMVTP-UHFFFAOYSA-N 292.383 1.635 0 50 CDAA C[C@@H]1CN(C(=O)c2ncoc2[C@H]2CCCO2)C[C@H]1N(C)C 257366340 SRANYZXXULKDGX-IJLUTSLNSA-N 293.367 1.548 0 50 CDAA Cc1nnsc1CN(C)C(=O)CCN1CCCCO1 67756897 FYMFCBCPFFBRLB-UHFFFAOYSA-N 284.385 1.222 0 50 CDAA Cn1[nH]cc2/c(=N/C(=O)c3noc4c3CCCC4)ccnc1-2 253392858 JBFVTVIDSQPPKW-WOJGMQOQSA-N 297.318 1.461 0 50 CDAA CCOC1CN(C(=O)c2ccc(C(C)=O)c(O)c2)C1 331986081 OVZNHDHHUKZZPG-UHFFFAOYSA-N 263.293 1.456 0 50 CDAA C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@@H](C)O1 328637014 VWJCFTFZMNRMNM-GMTAPVOTSA-N 279.340 1.163 0 50 CDAA O=C(c1cnc2cnccc2c1)N1CCC(CO)CC1 328669811 MFVQYZKIIODWKK-UHFFFAOYSA-N 271.320 1.474 0 50 CDAA Cc1cc(CC(=O)N2CCC(Cn3ccnn3)CC2)no1 328728069 GQNNEFQHGDPBHZ-UHFFFAOYSA-N 289.339 1.056 0 50 CDAA CCC1(CC)N=C(O)N(C[C@H]2CCCOC2)C1=O 329185828 QIXWXDNWVGOSMZ-SNVBAGLBSA-N 254.330 1.728 0 50 CDAA CC(C)CCC[C@@H]1CN(C(=O)CCC(N)=O)CCO1 39405795 LFGQATMHMDZBCK-GFCCVEGCSA-N 270.373 1.306 0 50 CDAA Cc1ccccc1-c1cc(NC(=O)NCCCO)n(C)n1 153594683 QULAKSUTPHYDSC-UHFFFAOYSA-N 288.351 1.899 0 50 CDAA COCc1cc(NCC2(O)CCCCC2)n2nccc2n1 72427253 RDRCIKIGUHHQLN-UHFFFAOYSA-N 290.367 1.983 0 50 CDAA Cc1c(/C=C/c2nc([C@@H]3CCOC3)no2)cnn1C 156218136 PZFYPVDULUDXIO-PGLGOXFNSA-N 260.297 1.786 0 50 CDAA C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCOC1 332840331 IVZUUZWSTCFBOX-YVECIDJPSA-N 268.357 1.038 0 50 CDAA O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCNC[C@@H]1c1cccnc1 261783297 POFSRBACJBWZSA-BARDWOONSA-N 271.364 1.601 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)C(=O)O 236854034 RABUJGZKNZOGHN-HZSPNIEDSA-N 291.347 1.471 0 50 CDAA CC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1noc(C)n1 371005688 HLRPEIYTQXFDSN-CYBMUJFWSA-N 289.291 1.375 0 50 CDAA Cc1nn(Cc2nnc(C3CC3)s2)c(=O)s1 333676791 KEGMYYCIWXHZTB-UHFFFAOYSA-N 254.340 1.390 0 50 CDAA CCc1cccnc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C 284745476 VBPXZOXMZFSOHD-KBPBESRZSA-N 291.395 1.435 0 50 CDAA CN[C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[C@@H]1OC 449179457 ZYDFJCUKJMHZFG-XQQFMLRXSA-N 270.417 1.942 0 50 CDAA CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 39404062 NMVZDQRWGHFGTH-VIFPVBQESA-N 266.728 1.747 0 50 CDAA Cc1nn(C)c(Cl)c1C(=O)N1CCC[C@H](C(=O)O)C1 237730313 KDWQIVOCQCMHOW-QMMMGPOBSA-N 285.731 1.319 0 50 CDAA O=C(c1ccc(O)nc1)N1CCC[C@@H]2CNCCC[C@@H]21 373564931 WNEBAYLXNOLPBF-YPMHNXCESA-N 275.352 1.391 0 50 CDAA O=C(O)CCN(C(=O)[C@H]1C[C@@H]1C1CC1)C1CCOCC1 238069264 KHACDJBWUKQLEC-OLZOCXBDSA-N 281.352 1.515 0 50 CDAA CC1(C2CC2)CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 336331125 NXASLBMNUHFSAF-BLVKFPJESA-N 284.425 1.729 0 50 CDAA COC[C@H]1CN(C(=O)c2occc2C)CC(C)(C)O1 285538392 PUHBBROZVQOROZ-LLVKDONJSA-N 267.325 1.854 0 50 CDAA CCOc1cc(S(=O)(=O)NC[C@H](C)O)ccc1Cl 41105599 PWBNBZDHIJWBQL-QMMMGPOBSA-N 293.772 1.398 0 50 CDAA Cn1nccc1C(=O)NCCc1ccn(-c2ccccc2)n1 337574861 HDKPGRICFPBPFI-UHFFFAOYSA-N 295.346 1.578 0 50 CDAA CC[C@@H](NC(=O)CCn1cncn1)c1nccs1 130473099 FBMYLLQDSMHBGJ-SECBINFHSA-N 265.342 1.392 0 50 CDAA NC(=O)c1cc2c(cc1C(=O)O)C(=O)c1ccccc1C2=O 45071490 ORRQIDHIPORGGI-UHFFFAOYSA-N 295.250 1.259 0 50 CDAA O=C(c1cnco1)N1CCCC[C@H]1CCN1CCOCC1 222564082 FXXLAXMKWWMZQW-ZDUSSCGKSA-N 293.367 1.392 0 50 CDAA CN(C[C@H]1CCCOC1)C(=O)Cc1cccc(C(=O)O)c1 263547722 UVLXNVVRDXFROJ-CYBMUJFWSA-N 291.347 1.812 0 50 CDAA COCc1cc(CNC(=O)c2ccn(C(F)F)n2)n[nH]1 223782005 MTAWQBVOTGRCKA-UHFFFAOYSA-N 285.254 1.078 0 50 CDAA O=C(NCCn1cccn1)N1CC[C@@H](N2CCCCC2)C1 426359360 BGLYAUKSAPGFEN-CQSZACIVSA-N 291.399 1.153 0 50 CDAA O=C(N=c1[nH][nH]c2cc(F)ccc12)[C@H]1CC12CCOCC2 530405348 CMOOHHAYOMSZGG-LLVKDONJSA-N 289.310 1.879 0 50 CDAA Cc1cnc(CN=c2cc([C@H]3CCOC3)nc[nH]2)cn1 426673953 AHHLOZPUXABQFA-NSHDSACASA-N 271.324 1.113 0 50 CDAA O=C(CCc1cccnc1)N1CCC[C@@H]1Cn1ccnc1 531172679 QGFLIABOLFEJRA-OAHLLOKOSA-N 284.363 1.902 0 50 CDAA Cc1cc(C(=O)N(C)[C@H]2CCNC2)nn1C(C)(C)C 179081892 GEGVXEBXNLXLKD-NSHDSACASA-N 264.373 1.380 0 50 CDAA Cc1nc(N)cc(N(C)CC2(CO)CCCC2)n1 91321085 XDYIKNJUQJQPJV-UHFFFAOYSA-N 250.346 1.356 0 50 CDAA CS(=O)(=O)c1ccc(Br)cc1O 95496108 UFEVSEZFMHCGKA-UHFFFAOYSA-N 251.101 1.558 0 50 CDAA CC(C)CCN1C[C@]2(CCCN(CC(N)=O)C2)CCC1=O 91526861 IQSOXIJZKOXNHC-MRXNPFEDSA-N 295.427 1.222 0 50 CDAA Cc1c([C@H](C)NC(=O)CN)cnn1-c1ccc(F)cc1F 91943914 PBBCBNQIOHPETF-QMMMGPOBSA-N 294.305 1.595 0 50 CDAA CCn1ncnc1[C@@H](C)NC(=O)CCCN1CCCCC1 95372900 GQTALRGCFBPWCH-CYBMUJFWSA-N 293.415 1.741 0 50 CDAA Cc1cnc(N)nc1NCC1(Cn2cccn2)CC1 91444854 BTDVMKDWCQAYHG-UHFFFAOYSA-N 258.329 1.456 0 50 CDAA CCN(C(=O)[C@H](C)NC(=O)C1CCCC1)[C@H]1CCN(C)C1 617557601 OZDMMQXMFBKZLJ-JSGCOSHPSA-N 295.427 1.234 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cccn(C)c2=O)cs1 335902963 PJJVVDKBICVCFM-MRVPVSSYSA-N 277.349 1.641 0 50 CDAA CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CN)C1 91692697 BGZSTQMQTTUBPO-QMMMGPOBSA-N 250.289 1.837 0 50 CDAA CCc1cnc(N)nc1N(C)CC1(CO)CCCC1 95358090 JSLDKXNGWSZJGM-UHFFFAOYSA-N 264.373 1.610 0 50 CDAA CCOCC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91986319 QUQUVEPQXKPFMN-HNNXBMFYSA-N 277.364 1.606 0 50 CDAA Cc1ccc(CNC(=O)Nc2cn(C)nn2)cc1C 96139481 GDSCINJKLBFCLK-UHFFFAOYSA-N 259.313 1.754 0 50 CDAA CCN(C(=O)[C@@H](C)N)[C@@H](C)Cc1ccc(OC)cc1 237021347 OJYXSERBCZQPHF-NWDGAFQWSA-N 264.369 1.822 0 50 CDAA Cc1cc(Cl)c(C(=O)N2CC(=O)N[C@H](C)C2)cc1C 295912484 HCPVAUFHPZNYHL-SNVBAGLBSA-N 280.755 1.917 0 50 CDAA CC(C)Cc1cc(C(=O)NCCN2CCCOC2=O)no1 244840261 UJZRPSOLGIHCKB-UHFFFAOYSA-N 295.339 1.445 0 50 CDAA O=C1NCCN[C@@H]1Cc1ccc(-c2cccnc2)cc1 252479013 AZIXHPYHFUKOBP-OAHLLOKOSA-N 267.332 1.379 0 50 CDAA Cc1ncoc1C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 252548757 QKDARLDRXPKCQA-GVXVVHGQSA-N 287.319 1.620 0 50 CDAA C[C@@H](CN1CCCCC1)NCCc1nc(C(=O)O)cs1 534651083 HHSJJFJWHKPHCI-NSHDSACASA-N 297.424 1.848 0 50 CDAA COc1ccc(C(=O)NC2(C(=O)O)CCC2)c(C)c1 263187170 XBCLVHRYXZEWQN-UHFFFAOYSA-N 263.293 1.741 0 50 CDAA CSCC(=O)NC[C@H]1CCN(C2CCCC2)C1 534586677 VVCPBPOEEOHBTG-LLVKDONJSA-N 256.415 1.730 0 50 CDAA N=c1nc([C@H]2CCCN(C(=O)/C=C/c3ccc[nH]3)C2)cc[nH]1 376048076 ZXFRKYDRLXHDKH-FYJFLYSWSA-N 297.362 1.637 0 50 CDAA Cn1ccc2cc(CN3CCN4C(=O)OC[C@@H]4C3)ccc21 828322831 KEUPUOVFRHQXPS-AWEZNQCLSA-N 285.347 1.815 0 50 CDAA COc1ccc(NC(=O)c2ccnnc2)c2nonc12 824645522 FXSBKBHNSUMMRC-UHFFFAOYSA-N 271.236 1.274 0 50 CDAA CC[C@@H](C)C(=O)Nc1ccccc1C(=O)NCC(=O)NC 822560094 UZAULSKNAQRKDL-SNVBAGLBSA-N 291.351 1.147 0 50 CDAA O=C(NC[C@H]1CCCN(Cc2ncc[nH]2)C1)c1ccoc1 828207362 GKZLJZSMKXQGQI-GFCCVEGCSA-N 288.351 1.645 0 50 CDAA C[C@@H](CNC(=O)N1CCc2n[nH]cc2C1)N1CCCCC1 584885135 PWQVZFNURALTSZ-LBPRGKRZSA-N 291.399 1.352 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CC[C@H](Cc2ccccc2)C1 268912409 NWBWIVHGAMDAGH-MGPQQGTHSA-N 273.332 1.798 0 50 CDAA O=C(C1CCCC1)N1CCN(CC2CC2)[C@@H](CCO)C1 584904048 RFWDFTWCQZPAQB-HNNXBMFYSA-N 280.412 1.482 0 50 CDAA COc1cc2c(cc1CNC(=O)[C@@H]1CCOC1)OCCO2 584903865 YPGBYYPOLNFSGZ-SNVBAGLBSA-N 293.319 1.119 0 50 CDAA COCC1(CNC(=O)CCCc2cn[nH]c2)CCC1 670461655 CZPFERDSFWHPES-UHFFFAOYSA-N 265.357 1.665 0 50 CDAA O=C(c1ccc(C(F)F)o1)N1CC[C@@H](c2nn[nH]n2)C1 1548761839 IKDPWQVFNKYXPU-ZCFIWIBFSA-N 283.238 1.360 0 50 CDAA Cn1nc(Cn2cnc3c(c2=O)CCC3)cc1Cl 863323700 RNYHQOLOGYPQQD-UHFFFAOYSA-N 264.716 1.167 0 50 CDAA CC(C)[C@@H](C(=O)Nc1cccc(F)c1O)n1cnnc1 1875295850 SJJFFAQGHHUWLS-NSHDSACASA-N 278.287 1.959 0 50 CDAA Cn1nc(O)cc1C(=O)NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 1875393710 LUJYTYCEVQBKDS-IOASZLSFSA-N 297.358 1.832 0 50 CDAA CC(C)(CN)CNC(=O)c1c[nH]ccc1=Nc1ccccc1 1875358780 JQGWDGUOFFJFDH-UHFFFAOYSA-N 298.390 1.962 0 50 CDAA COc1ccc(CN2C[C@@]34CC[C@]3(CNC4)C2)cc1 1875301345 GIKIDNJCGSTBSR-HOTGVXAUSA-N 258.365 1.881 0 50 CDAA CC(C)(O)c1cn(C[C@H](O)c2cc(F)ccc2F)nn1 881409242 INDBPILPZJJDMD-NSHDSACASA-N 283.278 1.517 0 50 CDAA CC[C@@H](C(=O)N1CCN(CC2CCC2)CC1)N(C)CC 952974651 QJFSGROMGVNPKV-HNNXBMFYSA-N 281.444 1.661 0 50 CDAA CSCC(=O)N1CCC[C@H](CNC(=O)c2ccoc2)C1 952979442 NAFXDXBGAGTWQW-LLVKDONJSA-N 296.392 1.611 0 50 CDAA CCCCN1CCN(C(=O)[C@H](CC)N(C)CC)CC1 952969414 NESNQMMAKWNUND-AWEZNQCLSA-N 269.433 1.661 0 50 CDAA CCOC(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)cc1 169980058 CKMZOHRHSPVDLW-UHFFFAOYSA-N 294.156 1.117 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2conc2C)C1 888079174 HOMLASNCDBERMQ-VXGBXAGGSA-N 262.313 1.668 0 50 CDAA O=C(O)[C@H]1CCN(S(=O)(=O)c2c[nH]c3ccccc23)C1 888099601 SHQNGZKNPARBSO-VIFPVBQESA-N 294.332 1.263 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC12CCOCC2 1772717020 OAJONVTZKXFJSW-JTQLQIEISA-N 285.340 1.877 0 50 CDAA COc1ccnc(N(C)C[C@@H](O)c2cccnc2)n1 895939459 VUONFGHGMKIFEP-LLVKDONJSA-N 260.297 1.050 0 50 CDAA CN(C)CCNC(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 1365168346 LKLCEJDBDZLFQO-TZMCWYRMSA-N 292.383 1.163 0 50 CDAA N[C@H]1C[C@H](NC(=O)c2cccc3c2CCOC3)C12CCC2 1580163770 PAGWVJUMILUADF-GJZGRUSLSA-N 286.375 1.759 0 50 CDAA COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OCc2ccccc2)C1 40845034 LOGZOMIRLZGSSW-CHWSQXEVSA-N 293.319 1.179 0 50 CDAA in-vitro Oc1nc(O)c2c(n1)C(F)(F)CN(Cc1ccccc1)C2 96028448 HCDLFMKJNFAJGM-UHFFFAOYSA-N 293.273 1.995 0 50 CDAA in-vitro O=C(N[C@@H]1CCCOC1)c1cc(F)cc2[nH]cnc12 170934942 GFYYZHVJHYTAQT-SECBINFHSA-N 263.272 1.611 0 50 CDAA COCCc1noc(Cn2c(Cl)cccc2=O)n1 225471402 KJIBLHPNESCNSH-UHFFFAOYSA-N 269.688 1.122 0 50 CDAA CCCOCC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 188723588 PTXSEFVZQQXOMT-YPMHNXCESA-N 257.374 1.980 0 50 CDAA CC(=O)CN1CCCNC(=O)[C@H]1Cc1ccccc1 639655096 ISLCSYSGOQFNBS-CQSZACIVSA-N 260.337 1.009 0 50 CDAA C[C@@H]1CC(=O)N[C@H](C(=O)Nc2nnc(C3CC3)s2)C1 555377554 QGHHQQAQBVGPGS-XPUUQOCRSA-N 280.353 1.269 0 50 CDAA Cc1csc2ncnc(N3CC(=O)N[C@@H](C)C3)c12 665722076 DLNDSKCIUITLGG-QMMMGPOBSA-N 262.338 1.324 0 50 CDAA CC(C)(C)n1nnnc1CN1CCCCC[C@@H]1CO 585090902 YZCISZVCNUDIBI-LLVKDONJSA-N 267.377 1.165 0 50 CDAA O=C(C[C@H]1C(=O)Nc2ccccc21)NCCc1cn[nH]c1 685894374 JWKFQQLTRCMDFY-GFCCVEGCSA-N 284.319 1.194 0 50 CDAA COCC1(C(=O)N[C@H](CO)c2ccccc2)CCC1 97288735 VNYMJULDQXEUMM-CYBMUJFWSA-N 263.337 1.653 0 50 CDAA O=C(NCc1nnc2ccccn12)c1cnsc1 1857681727 DDODJRMCWOWBAR-UHFFFAOYSA-N 259.294 1.116 0 50 CDAA Cc1cc(C)nc(CCNC(=O)c2ccns2)n1 1857690168 DAJGMTTUSCGDJI-UHFFFAOYSA-N 262.338 1.522 0 50 CDAA COCc1ccc(CN2CCCN(C(N)=O)CC2)o1 331658130 PTXDOOZGUPHIID-UHFFFAOYSA-N 267.329 1.012 0 50 CDAA O=S(=O)(N[C@@H]1CCCCNC1)[C@H]1C[C@H]1c1ccccc1 1616029640 QTSKETFPUOATFT-ILXRZTDVSA-N 294.420 1.604 0 50 CDAA CCOc1ncccc1NC(=O)N(C)[C@H](C)C(OC)OC 1616041077 PAPYJXWLRALBOK-SNVBAGLBSA-N 297.355 1.951 0 50 CDAA C[C@@H]1CN(C(=O)c2cccc(O)n2)CCN1C1CCCC1 1616038080 SNSCDAAQQRFRQI-GFCCVEGCSA-N 289.379 1.876 0 50 CDAA C[C@H](C[C@@H]1CCCCN1C)N[C@H](C)c1cn(C)nn1 1615548895 FUVUMAUAGPWEBX-UPJWGTAASA-N 265.405 1.729 0 50 CDAA CN1C(=O)/C(=C2\SC(=O)NC2=O)c2ccccc21 1231019 KAXSCXRRXXXUOV-HJWRWDBZSA-N 260.274 1.357 0 50 CDAA COc1cc(C(=O)NCc2[nH]nc3ncccc23)ccn1 1772818584 HHXQEADKYMNVRF-UHFFFAOYSA-N 283.291 1.292 0 50 CDAA CCOC(=O)c1cnn([C@@H]2CCNC2)c1C(F)(F)F 1857778306 WOGLLXGUARBOPM-SSDOTTSWSA-N 277.246 1.613 0 50 CDAA CC(C)(C)OC(=O)N[C@]1(C(F)(F)F)CCCNC1=O 16158603 NIUWIGGGPOVCFV-SNVBAGLBSA-N 282.262 1.722 0 50 CDAA COc1ccc(O)c(-c2ccc3c(O)nc(=N)[nH]c3n2)c1 1857526623 PPNHUBMVJIVFSG-UHFFFAOYSA-N 284.275 1.524 0 50 CDAA Cc1c(C(=O)NCc2cccn3nccc23)ccn1C 1857702549 NKEYAONRCRGYMH-UHFFFAOYSA-N 268.320 1.911 0 50 CDAA OC[C@H]1C[C@@H]2OCCN(Cc3nccn3C3CC3)[C@H]2C1 1857728115 OGLJAUQKEFNHGY-XBFCOCLRSA-N 277.368 1.190 0 50 CDAA O=C(c1c(O)cccc1F)N1CCC(n2ccnn2)CC1 225403289 JTAFYAOAFRFECC-UHFFFAOYSA-N 290.298 1.600 0 50 CDAA Cc1cc(=O)cc(C)n1CCCC(=O)N1CCO[C@H]2C[C@H]21 646741857 JQOKSVWLQYOLQZ-CABCVRRESA-N 290.363 1.245 0 50 CDAA NC(=O)[C@@H](NC(=O)c1ccc(C(=O)O)cc1)c1ccccc1 556792703 WBBGCACMEQQVGG-ZDUSSCGKSA-N 298.298 1.341 0 50 CDAA O=C(NCCn1ccnc1)c1ccnc(OCC(F)F)c1 153072028 RYBNTDAEHDKDDH-UHFFFAOYSA-N 296.277 1.352 0 50 CDAA CCN1CCN(C(=O)Cc2ccncc2)C[C@@H]1c1ncc[nH]1 373869619 LNEKGANTJQAIJL-CQSZACIVSA-N 299.378 1.253 0 50 CDAA NC(=O)[C@H]1COCCN1Cc1csc2ccccc12 584908340 LPDWOXCLYFKJIX-GFCCVEGCSA-N 276.361 1.587 0 50 CDAA CN(CC1CC1)C(=O)Cn1ccc(-c2ccccc2)nc1=O 902492269 BSKBTJQMAFFDQD-UHFFFAOYSA-N 297.358 1.779 0 50 CDAA Cc1ccccc1N1CCN(S(C)(=O)=O)CC1 6714893 PXNZRLHRRHMURW-UHFFFAOYSA-N 254.355 1.077 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCOC[C@@]2(C)C2CC2)o1 908253015 BSWUZIQCBFNFGV-ZDUSSCGKSA-N 285.365 1.778 0 50 CDAA O=C(Nc1cnn(Cc2ccccc2)c1)C1(O)CC1 1775991495 MVEOVJWFQDCOEA-UHFFFAOYSA-N 257.293 1.395 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC[C@](CO)(C(C)C)C1 823044231 SMSJLXGUWCRWSR-INIZCTEOSA-N 296.411 1.278 0 50 CDAA Cn1nccc1[C@H](CO)NC(=O)c1coc(C(C)(C)C)n1 823526297 NVXBDEUYZIRWHY-VIFPVBQESA-N 292.339 1.169 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(C(F)(F)F)cc1 219754526 KNQMDBULRODITD-GHMZBOCLSA-N 289.253 1.585 0 50 CDAA CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(O)c(C)c2)C1 226717716 VYAJEDZLYDHKFF-GFCCVEGCSA-N 276.336 1.299 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)[C@H]2COc3ccccc32)C1 251672886 VDDQKABIPCSTSC-OBJOEFQTSA-N 274.364 1.748 0 50 CDAA C[C@@H]1CCCN(C(=O)CC2CCOCC2)[C@H]1CN 156955454 IYGSGJRFMBXOCL-YPMHNXCESA-N 254.374 1.389 0 50 CDAA O=C(c1c[nH]nn1)N1CCCN(Cc2cccs2)CC1 48892069 YAMHUTHTROUECG-UHFFFAOYSA-N 291.380 1.214 0 50 CDAA COc1ccnc(CN(C)C[C@@H]2CCCO2)c1OC 190401680 USGLAIFPVWSBMZ-NSHDSACASA-N 266.341 1.710 0 50 CDAA CCCc1ccc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1 629226395 DCCKRVJTYJYGBQ-KBPBESRZSA-N 263.337 1.519 0 50 CDAA O=C(CCc1cn[nH]c1)NCCC[C@@H]1CCOC1 630005188 RIXUZSSANBECRE-LLVKDONJSA-N 251.330 1.275 0 50 CDAA O=C(NC[C@H](C(=O)O)C1CCCCC1)[C@H]1CCOC1 630265880 WAKUGFSMHRYLOO-RYUDHWBXSA-N 269.341 1.420 0 50 CDAA C[C@H]1C[C@@H](C)[C@@H](CN)CN1C(=O)c1cnn2c1CCC2 333802353 HZRIOSMHLSHOPI-WOPDTQHZSA-N 276.384 1.275 0 50 CDAA Cc1cc(C(=O)NC[C@H](CC2CC2)C(=O)O)ncn1 577499252 RUJFSOPDLXBRDT-JTQLQIEISA-N 263.297 1.016 0 50 CDAA CCCCc1nc(CNCc2nc(O)n[nH]2)c(Cl)[nH]1 392466045 OCUVBSSLXMYENI-UHFFFAOYSA-N 284.751 1.519 0 50 CDAA O=C(O)CCC(=O)NC[C@H]1OCCc2ccccc21 111864 NYTMEKPUZDMWPK-GFCCVEGCSA-N 263.293 1.281 0 50 CDAA CO/C=C(/C)C(=O)Oc1ccc(C=O)cc1OC 334613 BYTANOPUWFVKBP-HJWRWDBZSA-N 250.250 1.963 0 50 CDAA CC1(C)C=C(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)C1 2325779981 WODYMLAXJQXXFN-VIFPVBQESA-N 277.324 1.838 0 50 CDAA C[C@@H](O)Cn1cc(-c2ccc3cnccc3c2)nn1 2325862573 ZLFAIQGHKPFLLF-SNVBAGLBSA-N 254.293 1.874 0 50 CDAA FC(F)c1cc(N2CCN(c3cnccn3)CC2)ncn1 891730890 GMJNOFFCZQJKEZ-UHFFFAOYSA-N 292.293 1.531 0 50 CDAA O=C(N[C@@H]1CCCNC1)c1cc2ccccc2c(=O)[nH]1 120129474 APWQDHGIUJYIPP-LLVKDONJSA-N 271.320 1.010 0 50 CDAA CC1(C)SC[C@@H](C(=O)NCc2ccccc2)N1C=O 139042 IFHGBXVKYWYSPO-LBPRGKRZSA-N 278.377 1.613 0 50 CDAA COC(=O)Cn1cnc2sc(C)c(C)c2c1=O 306103 DGVNQJDBEYVYHF-UHFFFAOYSA-N 252.295 1.248 0 50 CDAA COC(CNC(=S)Nc1ccccc1F)OC 450487 ZSYISGQSPDUIBW-UHFFFAOYSA-N 258.318 1.731 0 50 CDAA O=C(O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 874682 IHPNDQYDXOBBEO-UHFFFAOYSA-N 292.316 1.258 0 50 CDAA Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1 1554390 PSPFQEBFYXJZEV-UHFFFAOYSA-N 255.325 1.870 0 50 CDAA in-vivo Cc1cc(OCc2nn[nH]n2)c2c(C)c(C)c(=O)oc2c1 2450606 BAZZVBYCIUDJMK-UHFFFAOYSA-N 286.291 1.810 0 50 CDAA OCCNC/C=C/c1c(F)c(F)c(F)c(F)c1F 2845403 BTIJTTWXCDSNPE-OWOJBTEDSA-N 267.197 1.977 0 50 CDAA COc1cc(-c2nc3nnc(C)n3[nH]2)cc(OC)c1OC 3017068 HVDWILPGOLKBTI-UHFFFAOYSA-N 289.295 1.454 0 50 CDAA O=C(COc1ccc(Cl)cc1)NC1=NCCS1 4454704 BOMIJYRFMLPBEE-UHFFFAOYSA-N 270.741 1.938 0 50 CDAA NC(=O)C1(O)C(Cl)(Cl)CCCC1(Cl)Cl 4582814 RVKIWQKIIQDAJP-UHFFFAOYSA-N 280.966 1.735 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C1 10112539 ADEPOXZOBRHUBE-LLVKDONJSA-N 296.392 1.930 0 50 CDAA CN1C(=O)[C@H](C(=O)O)[C@H]2C[C@@]1(C)Oc1ccccc12 100862777 LXJIPKCKUCUNGQ-DRCTWCGVSA-N 261.277 1.442 0 50 CDAA Cc1cnc(CNC(=O)c2cc(C3CC3)n[nH]2)cn1 67676227 QAPGIRWVXNSJHI-UHFFFAOYSA-N 257.297 1.316 0 50 CDAA Cn1c(CCCN[C@H]2CCOC2)nc2ccccc21 176498960 RHXWEBRTDHXSOO-LBPRGKRZSA-N 259.353 1.884 0 50 CDAA COC(=O)c1n[nH]c2c1[C@@H](CCSC)CC(=O)N2 65407250 VAZNYAUFEAEPEB-LURJTMIESA-N 269.326 1.375 0 50 CDAA COC(=O)[C@H]1C[C@H](C)C(=O)N1C(=O)OC(C)(C)C 22062750 YTLCHNBFNGFDSD-JGVFFNPUSA-N 257.286 1.332 0 50 CDAA O=C(CS(=O)(=O)C1CC1)NC1C2CC3CC(C2)CC1C3 333059449 IDNMAVYHECZGOC-UHFFFAOYSA-N 297.420 1.505 0 50 CDAA CNc1cc(C)nc(N2[C@H]3CC[C@@H]2CC(=O)N(C)C3)n1 67692628 PGTLTUSDWKAGCJ-MNOVXSKESA-N 275.356 1.026 0 50 CDAA CC(=O)N[C@@H](C)c1ccc(-n2cc(CCO)cn2)cc1 65376687 VIWODXBMJRGLTI-NSHDSACASA-N 273.336 1.604 0 50 CDAA C[C@@H]1C(=O)N(c2ncn(C(C)(C)C)n2)C(=O)N1C1CC1 328595036 IXUCCDWFAHZHOH-MRVPVSSYSA-N 277.328 1.353 0 50 CDAA COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1 257 AQNDDEOPVVGCPG-CQSZACIVSA-N 295.379 1.530 0 50 CDAA biogenic,fda CN1CCN(C(=O)Cc2cccs2)C[C@@H]1c1ncc[nH]1 328645485 ZRWPLIMJYUUKLH-GFCCVEGCSA-N 290.392 1.529 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)Nc2ccn(CC(=O)O)n2)O1 122921579 KPWODZDNJONPAO-NXEZZACHSA-N 281.312 1.254 0 50 CDAA CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 1576244 CNBUSIJNWNXLQQ-LLVKDONJSA-N 281.308 1.913 0 50 CDAA biogenic,in-vitro C[C@@H]1CC[C@H](C(=O)NCCc2nnc(S)n2C2CC2)O1 153655786 JJXJUBFUIYDIAR-PSASIEDQSA-N 296.396 1.128 0 50 CDAA COc1cccc([C@@H]2C[C@@H](O)CN2c2cnccn2)c1 283349100 BJDMJDXSEFOSHP-OCCSQVGLSA-N 271.320 1.798 0 50 CDAA O=S(=O)(c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 173526967 PXBAJCKECIGPDK-CYBMUJFWSA-N 278.377 1.321 0 50 CDAA COCc1noc([C@H](C)N2CCc3ncccc3C2)n1 368635030 QPLYPVHAHWPUAU-JTQLQIEISA-N 274.324 1.730 0 50 CDAA CC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 74792795 MCMSZAISEVXLJS-UHFFFAOYSA-N 276.336 1.924 0 50 CDAA O=C(c1cc2ccccc2c(O)n1)N1CCC[C@@H](O)CC1 378805027 WLNGMBAIWILIII-GFCCVEGCSA-N 286.331 1.927 0 50 CDAA CN(C[C@@H]1CCC[C@H]1O)c1nccc(-c2cnccn2)n1 333558785 NTIHEWUTFLGFAV-SMDDNHRTSA-N 285.351 1.531 0 50 CDAA CNC[C@H]1CCCN1C(=O)[C@H](C)n1nc(C)cc1C 237245942 ONXDQVWTWPQBPW-QWHCGFSZSA-N 264.373 1.271 0 50 CDAA Cc1nc(C2CCN(C(=O)C(=O)c3cccnc3)CC2)n[nH]1 215481972 ZVZLMQKLQFOPSY-UHFFFAOYSA-N 299.334 1.097 0 50 CDAA CCn1nnc(C)c1C(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 333962043 MOUWVJHQIPMTLS-JSGCOSHPSA-N 274.368 1.867 0 50 CDAA CN(C)CC[C@@H](NC(=O)CNC1CC1)c1ccccc1 216012393 UYPQANAVHFIKLB-OAHLLOKOSA-N 275.396 1.548 0 50 CDAA Cc1nc(NCc2c(C)n[nH]c2C)c2c(C)nn(C)c2n1 72411269 JGIPKZBOXYLIKN-UHFFFAOYSA-N 285.355 1.932 0 50 CDAA NCC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 72409824 AVEBHFIVNGVUPB-CYBMUJFWSA-N 281.787 1.379 0 50 CDAA O=C(O)C1(C(=O)N2CC3(CC3)c3ccccc32)CC1 238045720 UOACTIWJCBLINE-UHFFFAOYSA-N 257.289 1.930 0 50 CDAA O=C(O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3o2)CCO1 238129351 PGVQVKMPALPBBN-GFCCVEGCSA-N 293.250 1.498 0 50 CDAA CCOC[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1 72143733 LWEMLOFCMWNFHA-AWEZNQCLSA-N 298.408 1.522 0 50 CDAA O=C(O)CCCNC(=O)Cn1ccc2ccccc21 36370042 UZJHKVVBDHHAQP-UHFFFAOYSA-N 260.293 1.622 0 50 CDAA biogenic C[C@H]1OCCN(C(=O)NCc2ccc(C(=O)O)cc2)[C@@H]1C 263338523 OFBIZHMUZHXRQP-GHMZBOCLSA-N 292.335 1.704 0 50 CDAA O=c1cc(CNc2nccc(C3CCCC3)n2)nc[nH]1 71747794 CVZAOCIDODTSJE-UHFFFAOYSA-N 271.324 1.830 0 50 CDAA O=C(O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 138703740 JNHBKFAZBKSPLV-JXFSHQFZSA-N 285.299 1.053 0 50 CDAA biogenic C[C@H]1CN(c2nc(C(N)=O)cs2)CC(C)(C)O1 292614602 WZHVDDXPOFTGGL-ZETCQYMHSA-N 255.343 1.246 0 50 CDAA O=C(C[C@@H]1C=CS(=O)(=O)C1)NCc1cc(C2CC2)on1 222332120 OXCIHCVTFKGSPL-VIFPVBQESA-N 296.348 1.117 0 50 CDAA CCCc1cc(C(=O)NCc2cn3cccnc3n2)no1 82156896 VQSVTVLEGDBHHH-UHFFFAOYSA-N 285.307 1.600 0 50 CDAA CC(C)n1ccnc1CNC(=O)c1c[nH]c(=O)c(Cl)c1 222487844 RIOZHLWYRIFCKE-UHFFFAOYSA-N 294.742 1.736 0 50 CDAA COCCN1C[C@H](Cc2cc(F)ccc2OC)CC1=O 220570599 LKYJBSGVJODJEK-LLVKDONJSA-N 281.327 1.872 0 50 CDAA COC(=O)[C@@H]1[C@H]2C[C@@H]2CN1C(=O)c1sccc1OC 221670363 FGNXISLFYSGLQD-WEDXCCLWSA-N 281.333 1.390 0 50 CDAA CCc1c(C(=O)N(C)Cc2nc(O)n[nH]2)[nH]c2ccccc12 426641441 FANREWPVZUSWDS-UHFFFAOYSA-N 299.334 1.826 0 50 CDAA C[C@@]1(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CCCO1 426730340 GMYIDNPBKNPIST-HNNXBMFYSA-N 286.335 1.657 0 50 CDAA COc1ccc(-c2nc(C)nc3c2cnn3C)c(OC)n1 426503611 USAIFJWIXBTNTQ-UHFFFAOYSA-N 285.307 1.751 0 50 CDAA O=C(N1CCC[C@H](CO)C1)N1CCc2ccccc21 239672781 BVFRWZBPPJBBHK-LBPRGKRZSA-N 260.337 1.873 0 50 CDAA CCCO[C@H]1CCCN(c2ncncc2C(=O)O)C1 95356236 PBMXXKIMXXKHPT-JTQLQIEISA-N 265.313 1.570 0 50 CDAA Nc1nc2cc(Br)cc(C(=O)O)c2o1 97757413 VKKGLPZPVNXSIS-UHFFFAOYSA-N 257.043 1.871 0 50 CDAA Cc1cc(C)c(C(=O)N2C[C@H]3CCC[C@@]3(CO)C2)c(=O)[nH]1 91434211 AIACGWIIGXPKJK-WBMJQRKESA-N 290.363 1.226 0 50 CDAA Cc1cc([C@H]2CCCN2Cc2cn[nH]c2C(=O)O)no1 97815406 KHNDSTJBHBRUCT-LLVKDONJSA-N 276.296 1.741 0 50 CDAA Clc1cnc(NCCCO[C@H]2CCOC2)nc1 268182422 CPLDOHVGZGHVMV-JTQLQIEISA-N 257.721 1.738 0 50 CDAA CC(=O)c1cnc(N2CC[C@@H]3CC[C@H](C2)N3C)nc1C 95382551 PSRHYGMVDMFCGG-QWHCGFSZSA-N 274.368 1.661 0 50 CDAA O=C(NCCc1ccccc1)c1ccc2nnc(O)n2c1 338189342 XBUUUPURBHSFQN-UHFFFAOYSA-N 282.303 1.407 0 50 CDAA CCN1C[C@@H](C(=O)N2CCCC3(CCOCC3)C2)CC1=O 336525237 UVKRCLDYGTXAIW-ZDUSSCGKSA-N 294.395 1.274 0 50 CDAA Cc1ncsc1CCN(C)C[C@H](C)N1CCOCC1 243893235 APQJEIBXFXBQQS-LBPRGKRZSA-N 283.441 1.647 0 50 CDAA O=C(O)CCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 299265674 JDIVQBZATSTPRV-ZDUSSCGKSA-N 293.319 1.449 0 50 CDAA CCOC(=O)c1sc(N2CCCN(C)CC2)nc1C 259475468 NELSWPGDIDXNQK-UHFFFAOYSA-N 283.397 1.770 0 50 CDAA Cn1cc(N2CCN(C[C@H]3CCC(C)(C)O3)CC2=O)cn1 184672312 NQOJQPWBLHICIJ-CYBMUJFWSA-N 292.383 1.026 0 50 CDAA O=C(CCc1cccc2c1OCO2)Nc1nnc[nH]1 184677516 XDUOHQAVTMOMJM-UHFFFAOYSA-N 260.253 1.105 0 50 CDAA COc1cc(Cn2cnc3c(C)csc3c2=O)on1 629175275 LBPUZTNEDJPKLV-UHFFFAOYSA-N 277.305 1.811 0 50 CDAA CCn1ccc2c(CN3CCO[C@@H](C(=O)O)C3)cccc21 534577737 BMCOVMLYIKIIJD-OAHLLOKOSA-N 288.347 1.947 0 50 CDAA COc1cc2c(cc1OC)C(=O)N(C)[C@@H](C)C(=O)N2 534576204 UPRNMZAGMRUIGA-ZETCQYMHSA-N 264.281 1.116 0 50 CDAA CC(=O)c1cccc(OCC(=O)NC2(C(=O)O)CC2)c1 263121137 DJHAHFVTMOGNHM-UHFFFAOYSA-N 277.276 1.001 0 50 CDAA O=C(CN1CCCCCCC1)NC1(C(=O)O)CCOCC1 534667749 ZOLIJYZYBMDBFN-UHFFFAOYSA-N 298.383 1.003 0 50 CDAA Cc1cc2c(cc1CN1CCO[C@@H](C(=O)O)C1)OCO2 534635547 WRDNNGVEWYBNCL-CYBMUJFWSA-N 279.292 1.009 0 50 CDAA CC(C)(C)OC(=O)N1CCOC[C@@](O)(C(F)(F)F)C1 261508658 VOKHXMWJEAGUBN-SNVBAGLBSA-N 285.262 1.547 0 50 CDAA COc1ccc2oc(CN[C@@H](C)CCO)nc2c1 534642170 ORILIUPEYKZLHU-VIFPVBQESA-N 250.298 1.697 0 50 CDAA c1cn(CC2(CN[C@@H]3CN4CCC3CC4)CC2)cn1 829078377 IBQNVPQTOOJUIS-CQSZACIVSA-N 260.385 1.347 0 50 CDAA Cc1nncn1CCN1CCC[C@@H](C(C)(C)O)C1 825297049 NIBYSASWGVONFJ-GFCCVEGCSA-N 252.362 1.069 0 50 CDAA CC(C)[C@@H](CNC(=O)c1cncnc1)N1CCCC1 820696457 XIXGMETVKHSPLD-CYBMUJFWSA-N 262.357 1.327 0 50 CDAA CCCn1c(C)nc2cc(NC(=O)CNC(C)=O)ccc21 823024313 YYZGMXGDJOIBAM-UHFFFAOYSA-N 288.351 1.829 0 50 CDAA O=C(N[C@H](CO)c1ccc(F)cc1)[C@H]1CC[C@H](O)CC1 584888770 JIBUDCHYXPJUJL-MRVWCRGKSA-N 281.327 1.526 0 50 CDAA COCC[C@@H]1CN(C(=O)c2cccc(OC)c2F)CCO1 584884281 GDXGVEVWRUEDGO-LLVKDONJSA-N 297.326 1.712 0 50 CDAA O=C1C[C@@H](NC(=O)C2CCOCC2)c2ccccc2N1 584896277 JFCAKFKELJRAHL-CYBMUJFWSA-N 274.320 1.613 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](N(C)C)C2)cc(C)n1 584892977 ATMLJOOEPUEKJS-CQSZACIVSA-N 261.369 1.865 0 50 CDAA Cc1ccn2ncc(C(=O)N3CCN4CCC[C@H]4C3)c2c1 270872658 BFWDHRKYVLKEHP-ZDUSSCGKSA-N 284.363 1.563 0 50 CDAA Cc1nc(CN2CCc3n[nH]c(C)c3C2)n(C)c1C 670467495 ORSCJBQUPJHFHA-UHFFFAOYSA-N 259.357 1.627 0 50 CDAA Cc1nnc(C2(C)CN(C(=O)N[C@H]3CC=CCC3)C2)o1 952891085 VXAFKGJHRPMSRJ-NSHDSACASA-N 276.340 1.770 0 50 CDAA CN1CCCC[C@@H]1C(=O)NCc1cccc2nsnc12 952993593 ZRNYTMMVPOLNGN-GFCCVEGCSA-N 290.392 1.792 0 50 CDAA Cc1cc(F)c(C(=O)N[C@H](c2nn[nH]n2)C2CC2)cc1F 1875324406 XIICKYAEWBTQPY-NSHDSACASA-N 293.277 1.667 0 50 CDAA Cn1ncc2c1CC[C@@H](F)[C@H]2NCC1(n2ccnn2)CC1 1875396577 NKTIVMMIHNDQQF-YPMHNXCESA-N 290.346 1.116 0 50 CDAA O=C(O)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)CS1 1875300743 OUDBOWQJEYLFMM-RVMXOQNASA-N 291.372 1.865 0 50 CDAA N=c1[nH]c2ccccc2cc1C(=O)N[C@@H]1CCOC1 1875317429 XJHIINIAFACLIG-SNVBAGLBSA-N 257.293 1.166 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)[C@@H](N)CC(C)C)cn1 1875339713 VCTMMFBXWGBDCL-LBPRGKRZSA-N 278.356 1.376 0 50 CDAA CC(=O)N1CC[C@H](NC(=O)c2cc3cccc(C)c3[nH]2)C1 1875344762 ONDBHSUUVIWTAE-ZDUSSCGKSA-N 285.347 1.827 0 50 CDAA Nc1c(Br)cnc(Br)c1N 72207486 WDTOXRACOCNQRB-UHFFFAOYSA-N 266.924 1.771 0 50 CDAA in-vitro COCCC[C@H]1CCCCN1S(=O)(=O)N(C)C 952973427 ZXBUCSVJXHRNCL-LLVKDONJSA-N 264.391 1.074 0 50 CDAA C=CC(=O)Nc1cc(F)c(F)cc1N1CCOCC1 1335865643 AUJBMSYANJWNKV-UHFFFAOYSA-N 268.263 1.926 0 50 CDAA COc1ncccc1NC(=O)C[C@H]1C[C@H](O)C1(C)C 1775989089 CJDSHDVCRBEJKX-KOLCDFICSA-N 264.325 1.826 0 50 CDAA O=C(NCCOCC(F)(F)F)c1cnc2c[nH]nc2c1 1463982440 IDJRSGFLOJQPER-UHFFFAOYSA-N 288.229 1.267 0 50 CDAA O=C(c1c[nH]nc1[C@H]1CCOC1)N1CCCSCC1 275654131 YVVVNGSWHSGMRW-JTQLQIEISA-N 281.381 1.493 0 50 CDAA Cc1nc(C)c(C)c(N2CCC[C@](O)(c3cnn[nH]3)C2)n1 583616873 PNHBVLUZEBXTBO-CQSZACIVSA-N 288.355 1.008 0 50 CDAA C=Cn1cc(CN2CC[S@@](=O)C[C@@H](C)C2)cn1 278128157 BUBBJIIGYYWJNI-APPDUMDISA-N 253.371 1.184 0 50 CDAA C[C@H]1C[C@@H](N(C)C[C@H](O)CO)CCN1Cc1ccccc1 585116791 IMUABNCEBOZPJN-XIRDDKMYSA-N 292.423 1.325 0 50 CDAA CC(=O)N1CC[C@@H](Nc2ncnc3ccc(C)cc23)C1 301675722 SFPFNMJRKLZNSB-GFCCVEGCSA-N 270.336 1.971 0 50 CDAA CCn1nccc1NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 683730558 LZJNJWWTWBOYAX-CYBMUJFWSA-N 298.346 1.711 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc(O)n1 408470721 VKADDWNSHNVWMQ-BFHYXJOUSA-N 290.363 1.861 0 50 CDAA COC1(CO)CCN(C(=O)[C@@H]2CCCO[C@@H]2C(C)C)CC1 408474495 AHFDAAULYTYYSO-ZIAGYGMSSA-N 299.411 1.438 0 50 CDAA CC(C)CCO[C@H](C)C(=O)N1CC[C@H](N)C[C@H]1C 408519136 DZCLLMKZDUWGIZ-UPJWGTAASA-N 256.390 1.776 0 50 CDAA CCCC[C@H](C)C(=O)NCc1cnc(COC)[nH]c1=N 408517714 NFCZOIXPBFVFDF-JTQLQIEISA-N 280.372 1.478 0 50 CDAA CON(CC(=O)N(C)C)[C@H]1CCCOc2ccccc21 408513642 JIRRGDSSBDFNID-ZDUSSCGKSA-N 278.352 1.852 0 50 CDAA NC(=O)c1cc2cc(NC(=O)N3CCCC3)ccc2[nH]1 640394015 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1529169475 ZRIVYBVKQAIHBB-NSHDSACASA-N 255.387 1.873 0 50 CDAA COc1cc(-c2nnc(N)o2)cc(OC)c1OC 19266883 UKCTUJXIEPYWIO-UHFFFAOYSA-N 251.242 1.345 0 50 CDAA CC(C)n1ncc(=NC(=O)c2cn3ccsc3n2)[nH]1 1875242823 DCWAEAXGRQERQE-UHFFFAOYSA-N 276.325 1.242 0 50 CDAA O=C(O)CCCN1CCN(c2ccc(Cl)cn2)CC1 116375160 XHVTYYOQSYRYNM-UHFFFAOYSA-N 283.759 1.722 0 50 CDAA COC(=O)[C@H](NC(=O)OC(C)(C)C)P(=O)(OC)OC 4352630 LJHAPRKTPAREGO-SSDOTTSWSA-N 297.244 1.496 0 50 CDAA in-vitro CCCC(O)(CCC)CC(=O)N1C[C@@H](F)C[C@H]1CO 347372600 JDHTZJUHZBLSSS-RYUDHWBXSA-N 275.364 1.639 0 50 CDAA COC(=O)c1cnc(NC(=O)[C@H](C)C2CC2)c(O)c1 1615585705 AUTQUGCPKXZWPJ-SSDOTTSWSA-N 264.281 1.558 0 50 CDAA CN(Cc1ccn(C)n1)C(=O)NC[C@H]1CCC(C)(C)O1 1615613820 CBTXFGYGRLOJJI-GFCCVEGCSA-N 280.372 1.519 0 50 CDAA O=C(/C=C/c1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 1446670 GAGSGKCTYQGRBD-MJRJWQSSSA-N 299.779 1.657 0 50 CDAA COc1ccc(CN2CCC[C@H]2CO)cc1OC 5527328 HXXMHGSSGPFTCS-LBPRGKRZSA-N 251.326 1.661 0 50 CDAA O=C1C[C@H](NC2CCOCC2)CN1CCc1ccccc1 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GWARABSOJONSBW-CJNGLKHVSA-N 298.273 1.701 0 50 CDAA O=C(O)c1[nH]nc2ccc(I)cc12 2547943 VRWNCSJMDOUQJT-UHFFFAOYSA-N 288.044 1.866 0 50 CDAA COc1ccc(-c2cc(-c3nnc(N)o3)no2)cc1OC 2231144 FNQFXGXHCPGMMA-UHFFFAOYSA-N 288.263 1.991 0 50 CDAA CCCN1Cc2nnc(-c3cccc(O)c3)n2[C@@H](C)C1=O 2356156474 DBVXUVCRUGEFEW-JTQLQIEISA-N 286.335 1.964 0 50 CDAA CCCc1nnc(N2C[C@H]3COC[C@@]3(C(=O)OC)C2)s1 2356162393 AXQOACGDUSNPOW-ZANVPECISA-N 297.380 1.116 0 50 CDAA Cc1nc2nc(N3C(=O)CCC3=O)nn2c(C)c1Cl 6702321 FAWCWHSFVUGSDR-UHFFFAOYSA-N 279.687 1.048 0 50 CDAA C[C@H](CN1CCCC1=O)NC(=O)N1CCC[C@H]1C(F)F 345013571 BVTOHBHIRHMGRM-ZJUUUORDSA-N 289.326 1.436 0 50 CDAA CC(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)cc2)CC1 27331622 HTXWUAITAUTYJJ-LLVKDONJSA-N 293.342 1.760 0 50 CDAA Fc1cccc(-c2noc(Cc3cnc4ncnn4c3)n2)c1 20877817 QVMHLFMMCTXBMU-UHFFFAOYSA-N 296.265 1.904 0 50 CDAA Cc1ccc(CC2(NC(=O)CN3CCOC3=O)CC2)cc1 67641842 SVBLUAHUCFUGFP-UHFFFAOYSA-N 288.347 1.639 0 50 CDAA C[C@H]1Cc2cc(CNCC(=O)Nc3cnccn3)ccc2O1 65424123 LJWIBWGRVLNEGS-NSHDSACASA-N 298.346 1.528 0 50 CDAA C[C@H](C(=O)NC1CCCC1)N1CCc2[nH]ncc2C1 118854702 YJCXQJWELPLYJB-SNVBAGLBSA-N 262.357 1.215 0 50 CDAA COCCc1nc(CN[C@H](CCO)c2ccccc2)no1 351577306 FDBXHIUVHGJHGE-CYBMUJFWSA-N 291.351 1.472 0 50 CDAA CN1CCC2(CCN(CC(C)(C)N3CCOCC3)CC2)C1 67833734 YVSVBINCPLXMMN-UHFFFAOYSA-N 295.471 1.515 0 50 CDAA CCN(C(=O)c1ccc(C(=O)OC)cc1)[C@@H](C)CO 67675704 RSNJQOXQGQBTCF-JTQLQIEISA-N 265.309 1.316 0 50 CDAA CC(C)N(Cc1nccn1C)C(=O)[C@@H]1CCCCO1 67934141 HYFCWGREYVUYLS-LBPRGKRZSA-N 265.357 1.726 0 50 CDAA COC(=O)N(C)c1ccccc1C(=O)N1CCOCC1 45744 MNLGRNNIZWEKSH-UHFFFAOYSA-N 278.308 1.362 0 50 CDAA CC(C)=CCC[C@]1(C)OC(=O)N(n2cnnc2)[C@]1(C)O 74609 RSCFADZELGMIHL-QWHCGFSZSA-N 280.328 1.580 0 50 CDAA CC(C)(C)c1cc(Cn2cnc3cnccc3c2=O)n[nH]1 32534937 PLBWHTUYKRUCAA-UHFFFAOYSA-N 283.335 1.860 0 50 CDAA O=C(NCc1nc2ccccc2[nH]1)c1cccnc1 1429950 IMACBPQXDRAYKQ-UHFFFAOYSA-N 252.277 1.888 0 50 CDAA CCn1cc(N2C(=O)[C@H](C(C)C)N=C2O)ccc1=O 328593035 BTBRMYPIDCMZEV-NSHDSACASA-N 263.297 1.153 0 50 CDAA COCC(=O)N1CCC(Oc2ccccc2OC)CC1 77319717 RPPLJWXPFPVZJH-UHFFFAOYSA-N 279.336 1.711 0 50 CDAA CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CC2)CC1 328694905 CZGDPMLESCQHDL-JHJVBQTASA-N 285.409 1.458 0 50 CDAA OC[C@]1(O)CCCN(Cc2cncn2C2CCCCC2)C1 72145123 ZVGDJIYUDWRLCJ-INIZCTEOSA-N 293.411 1.708 0 50 CDAA CC[C@H](NC(=O)c1ncc(C)[nH]1)c1cn2cccnc2n1 216442906 AEWVXYQBIWSLSG-JTQLQIEISA-N 284.323 1.642 0 50 CDAA O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1cnsn1 606444960 QINJXFYZGCSAPO-GZMMTYOYSA-N 293.352 1.159 0 50 CDAA CCc1nccc(CN(C)C[C@H]2CCN(CCOC)C2)n1 215775202 RVMSPCPBOFJBNQ-CQSZACIVSA-N 292.427 1.439 0 50 CDAA CNC(=O)C1CN(C(=O)c2ccc(C3CC3)nc2C)C1 333677333 KHSOTFXKTBZRTA-UHFFFAOYSA-N 273.336 1.085 0 50 CDAA Cc1ncccc1NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1 262363719 VLANWTBADNCSQS-OLZOCXBDSA-N 285.351 1.065 0 50 CDAA O=C(NC[C@@H]1CCCN(c2ccccn2)C1)c1cn[nH]c1 216086410 CGKQZBURIWDPMK-LBPRGKRZSA-N 285.351 1.451 0 50 CDAA Cc1[nH]ccc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 175138240 MNZPYLLNYQEZNZ-AWEZNQCLSA-N 283.331 1.376 0 50 CDAA O=C(c1cccc2c1OCCO2)N1CC[C@H]2CC[C@@H](C1)N2 127573156 IBRQLXIZJZGQQQ-NEPJUHHUSA-N 288.347 1.424 0 50 CDAA CC[C@@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1 129903038 PVKPNXUXSPULAV-KGLIPLIRSA-N 262.353 1.632 0 50 CDAA Cn1ncnc1CN1CC[C@@]2(CCc3ccccc3O2)C1 377645090 GFOUXZYGGXYPSZ-INIZCTEOSA-N 284.363 1.785 0 50 CDAA O=C(NCc1nc(Cc2ccccc2)no1)c1cn[nH]c1 215847760 VHONOTAGHIVYKV-UHFFFAOYSA-N 283.291 1.314 0 50 CDAA CO[C@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)O)c1 263172416 GBLWIUQFGBJGRQ-RKDXNWHRSA-N 251.282 1.848 0 50 CDAA C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Cc1cnnn1C 611786381 OYNQSHDQFNIXEK-UKRRQHHQSA-N 298.390 1.837 0 50 CDAA Cc1cc2ncc(C(=O)N[C@H](C)[C@@H](C)C(=O)O)c(C)n2n1 132539691 QAKPYAUKJPKHOG-RKDXNWHRSA-N 290.323 1.185 0 50 CDAA CC(C)n1cnnc1CCNC(=O)c1ccn(C(F)F)n1 223660420 BOOCTYWPLSFIEQ-UHFFFAOYSA-N 298.297 1.423 0 50 CDAA C[C@@H](CC(=O)N(C)[C@@H]1CCNC1=O)c1ccco1 528918588 XKGAMAXPIIKKGO-VHSXEESVSA-N 250.298 1.120 0 50 CDAA O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCCCCO 221701659 XYHZUOFOLULSKQ-MPZDIEGVSA-N 263.337 1.346 0 50 CDAA Cc1cc(CC(=O)N2Cc3ccccc3[C@@H](O)C2)on1 82155788 GEKZVUSYJFLBLT-AWEZNQCLSA-N 272.304 1.601 0 50 CDAA COC(=O)[C@@H](CCNCc1ccccc1)[C@H](C)O 43214667 JGNJXWYXCHOBBP-AAEUAGOBSA-N 251.326 1.336 0 50 CDAA C[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H](CN)C1 178546969 AHHAHBNKYVELPQ-QWRGUYRKSA-N 282.771 1.915 0 50 CDAA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cncc(Cl)c1 220670175 ZNHKTSKVBNWIOU-VWYCJHECSA-N 252.701 1.642 0 50 CDAA CCO[C@@H](C)C(=O)NCCCc1csc(=N)[nH]1 426640569 VLIBCUNBWVWNJF-QMMMGPOBSA-N 257.359 1.029 0 50 CDAA C[C@H]1CN(C(=O)[C@H]2CSCN2)C[C@@H](c2ccccc2)O1 237768301 KZMULAUPWRKCEQ-YUTCNCBUSA-N 292.404 1.638 0 50 CDAA O=c1ccn(Cc2nc([C@@H]3CCOC3)no2)c2ccccc12 96141404 ACHMSRXRTPJEIM-LLVKDONJSA-N 297.314 1.937 0 50 CDAA Cc1nn(C)c2nc(N[C@@H]3CCCNC3=O)sc12 96162918 YBVMVFJKHVBOSD-SSDOTTSWSA-N 265.342 1.029 0 50 CDAA CC[C@@H]1C(=O)NCCN1C(=O)c1cnc(C)c(C)c1 97773020 BEHZUBZWUPPAOS-GFCCVEGCSA-N 261.325 1.049 0 50 CDAA C[C@@H](Cc1ccc(O)cc1)N[C@H](C)c1ncn(C)n1 294588702 HGQLLMCZRDDJNT-WDEREUQCSA-N 260.341 1.803 0 50 CDAA CN1CCN(C(=O)NC[C@@H]2COc3ccccc3C2)CC1 92061845 HLPODZOFZRNNTJ-CYBMUJFWSA-N 289.379 1.195 0 50 CDAA NCC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 269044633 CLIXJEYDGZJHJF-CQSZACIVSA-N 282.771 1.571 0 50 CDAA c1ccc([C@@H](CNc2ncccn2)N2CCOCC2)nc1 91434458 LUSCIRQUDOVBNL-CQSZACIVSA-N 285.351 1.357 0 50 CDAA Cc1ccc2oc(C(=O)N3CC[C@@H](C(=O)O)C3)cc2n1 269217540 YQMGOEIEWQNXRT-SECBINFHSA-N 274.276 1.683 0 50 CDAA COCCn1cncc1CN1CC[C@](C)(O)[C@H](C)C1 91616501 ZFHJNCLYTNWVLG-OCCSQVGLSA-N 267.373 1.122 0 50 CDAA CC(C)c1cc(=NC[C@H](CO)Cc2ccco2)[nH]cn1 521919636 UAVDAFGGTCRLMU-GFCCVEGCSA-N 275.352 1.878 0 50 CDAA NC(=O)[C@H]1CC[C@H]1C(=O)N=c1cc(-c2ccccc2)o[nH]1 621883417 LVLBDXSMYKVNIP-WDEREUQCSA-N 285.303 1.214 0 50 CDAA Cc1[nH]c(C(=O)NC2CCOCC2)c(C)c1C(=O)O 240971755 UCDNMRVINSJHTF-UHFFFAOYSA-N 266.297 1.239 0 50 CDAA CN1C[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)CC1=O 182868247 DEUWJCLDOODCEK-ZETCQYMHSA-N 268.700 1.462 0 50 CDAA Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccccc1 863981639 ANIIAGIOYOQPAU-YRGRVCCFSA-N 299.330 1.466 0 50 CDAA CC(C)[C@@H](CO)NC(=O)[C@H](C)N1Cc2ccccc2C1=O 253412724 RUQILOHTTZTPAJ-SMDDNHRTSA-N 290.363 1.164 0 50 CDAA biogenic c1cc2c(cc1Cc1nnc([C@H]3CCOC3)o1)OCO2 299743135 JXUNEAIHYVQMBM-JTQLQIEISA-N 274.276 1.893 0 50 CDAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccncc1F 864145097 INXJFFUIQNGGOE-NSHDSACASA-N 296.298 1.078 0 50 CDAA C[C@@H]1CN(C(=O)[C@@H](O)C2CCCCC2)C[C@H]1C(=O)O 263282785 XNKZFTDEGPXMCI-JLLWLGSASA-N 269.341 1.107 0 50 CDAA COC1CCN(C(=O)NCCCn2cccc2)CC1 534667425 FMNQRMAVOQSSPR-UHFFFAOYSA-N 265.357 1.699 0 50 CDAA COCC1(CNC(=O)CCc2cnccn2)CCCC1 456873185 WWPOURABUBWXBM-UHFFFAOYSA-N 277.368 1.732 0 50 CDAA COc1cccc(C)c1NC(=O)NC[C@@H]1COCCO1 299795109 JUMGRDLFLYKQAR-LLVKDONJSA-N 280.324 1.541 0 50 CDAA CC(C)S(=O)(=O)N1CCC(CN)(C(F)(F)F)CC1 725264749 UKQQWYIHWZRHOP-UHFFFAOYSA-N 288.335 1.328 0 50 CDAA COCc1nc(C2CCOCC2)n(-c2cccnc2)n1 824490812 PMAHUVQCPZWHMZ-UHFFFAOYSA-N 274.324 1.703 0 50 CDAA CCc1nccn1C[C@H](C)NCCc1nc(C)cc(O)n1 823557304 LMJAHYKBXNGDQU-LBPRGKRZSA-N 289.383 1.470 0 50 CDAA c1ccc(-c2n[nH]c(CCCN3CCOCC3)n2)cc1 820385585 YVVLQURRKMFNHP-UHFFFAOYSA-N 272.352 1.737 0 50 CDAA CN1Cc2ccccc2C[C@@H]1CNC(=O)Cn1cccc1 584899467 FNSVQBJSQMOZBJ-MRXNPFEDSA-N 283.375 1.661 0 50 CDAA C[C@@H](CCC(=O)N(C)CC1(CO)CCC1)N1CCCC1 584893338 LHLZBMXSSXSIFF-AWEZNQCLSA-N 282.428 1.872 0 50 CDAA C[C@@H]1CNCC[C@@H]1c1ccc(NS(C)(=O)=O)cc1 757207500 BJGHMSCCGWMMEG-MFKMUULPSA-N 268.382 1.771 0 50 CDAA C=CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(C)n1 1875389831 QJUIOZOXZPGKOP-NSHDSACASA-N 295.364 1.266 0 50 CDAA CN(Cc1nccs1)C(=O)[C@H](N)Cc1ccsc1 1875292718 QPJIEXHYNWRZTF-SNVBAGLBSA-N 281.406 1.733 0 50 CDAA O=C1C[C@@H](NC(=O)CCc2cn[nH]c2)c2ccccc2N1 952986299 KWJKLGKQBOJNCZ-CYBMUJFWSA-N 284.319 1.542 0 50 CDAA CN1[C@H]2CC[C@H]1CC(O)([C@@H](N)c1ccsc1)C2 958527656 DFIBUXBNPXVPMY-SRVKXCTJSA-N 252.383 1.736 0 50 CDAA COc1ccc(-n2cnnc2)cc1NC(=O)[C@H]1CCCO1 952871869 DDZJXAXADFLJPC-CYBMUJFWSA-N 288.307 1.393 0 50 CDAA Cc1nc(O)cc(N(C)Cc2csc(C(C)(C)O)n2)n1 894112694 SHGDLFWHZKDLLT-UHFFFAOYSA-N 294.380 1.811 0 50 CDAA Cc1ncc(C(=O)NC[C@@H]2CCc3nccn3C2)c(C)n1 275769932 BRLAFZFRCVEJNE-LBPRGKRZSA-N 285.351 1.282 0 50 CDAA CN(C)CCN(CC(=O)O)C(=O)c1cc2ccccc2o1 170047752 UXGTZWCDNCLCJN-UHFFFAOYSA-N 290.319 1.521 0 50 CDAA COC(=O)C1(CNC(=O)c2cc3ccccc3n2C)CC1 170600861 UEIYVAXUYFWNST-UHFFFAOYSA-N 286.331 1.861 0 50 CDAA O=C(Cn1cnc2ccccc21)N[C@@H]1C[C@H]2OCC[C@@H]12 1074623954 IGBJMQBBSQIXGN-ZKYQVNSYSA-N 271.320 1.330 0 50 CDAA N[C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H]1c1ccc(O)nn1 638681153 DIVFPAFVBULTFZ-LOWVWBTDSA-N 290.367 1.363 0 50 CDAA CC[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)C(C)C 408207961 YRKJACKFGMZAQN-GHMZBOCLSA-N 255.362 1.341 0 50 CDAA CCCCN(CCCC)C(=O)C[C@@H]1CC(=O)NC1=O 408521917 AIYZTGDDXRLBAO-NSHDSACASA-N 268.357 1.468 0 50 CDAA CCO[C@@H]1C[C@H](NC[C@@](C)(O)c2cnn(C)c2)C1(C)C 222152551 MCMNZPYQDCRKAK-GZBFAFLISA-N 281.400 1.421 0 50 CDAA O=C(O)CN(C(=O)c1occc1Br)C1CC1 190728575 ZSPOPANMRTVDBJ-UHFFFAOYSA-N 288.097 1.731 0 50 CDAA CCN(CCc1noc(CC2(O)CCCCC2)n1)C(C)=O 225594574 ATKQKWLNGXDCHH-UHFFFAOYSA-N 295.383 1.718 0 50 CDAA CC1(C)CC(=O)N(CCCO[C@H]2CCCCO2)C1=O 225827684 DCPVTTQCXOUEAF-LBPRGKRZSA-N 269.341 1.705 0 50 CDAA CCCCCOCC(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 585127288 WDJZQSMCKRIPDT-UONOGXRCSA-N 268.401 1.603 0 50 CDAA NC(=O)C1(N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 191488188 OUWFZWYPIFMUAG-YUMQZZPRSA-N 250.264 1.715 0 50 CDAA COc1ccc(CC(=O)NCC[C@H]2CCCNC2)nc1 563099980 KZOWWMNABDROBR-GFCCVEGCSA-N 277.368 1.139 0 50 CDAA CCc1nocc1CN(C)C(=O)[C@H]1CCc2cncn2C1 563200339 PTNOEVVASJVAIK-NSHDSACASA-N 288.351 1.655 0 50 CDAA CNc1ncnc2c1cnn2C[C@H](O)CCc1ccccc1 193758917 YJKSSLMPCWFFKP-CYBMUJFWSA-N 297.362 1.862 0 50 CDAA Cn1cc(CC(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)cn1 653327802 AEAMETXBFNSVEV-KGLIPLIRSA-N 299.330 1.392 0 50 CDAA COc1cc(OC)nc(N2CCC(OCC3CC3)CC2)n1 576369651 JDFXXLKZWUKJLI-UHFFFAOYSA-N 293.367 1.889 0 50 CDAA CCNC(=O)c1ccc(N[C@@H](C)Cc2cc(C)[nH]n2)nc1 1529139782 UJTNXWURDXHVJG-JTQLQIEISA-N 287.367 1.906 0 50 CDAA CCOC(=O)Cc1csc(C2CCNCC2)n1 230139744 HVQRNDCPZUUQNR-UHFFFAOYSA-N 254.355 1.716 0 50 CDAA in-vitro COC[C@@H](NS(=O)(=O)c1ccc(C)o1)[C@H]1CCCO1 331202477 QTVNNAYAFAGXTK-GHMZBOCLSA-N 289.353 1.060 0 50 CDAA CC[C@H](NC(=O)c1ncc(F)cc1F)c1ccnn1C 1857683905 QOXYPTDXRJGANA-JTQLQIEISA-N 280.278 1.974 0 50 CDAA COc1ccc(CN(CCO)Cc2cncn2C)c(C)c1 1704325376 MNBGRYXNDJGYIM-UHFFFAOYSA-N 289.379 1.732 0 50 CDAA OC[C@H](O)CNc1ncc(-c2ccccc2)s1 133464435 ARKZPBZONZJNLF-SNVBAGLBSA-N 250.323 1.575 0 50 CDAA COC[C@@H](C)n1cc(C(=O)NCc2cnc(C)o2)c(C)n1 1614646583 IVJHHXRDPUHULQ-SECBINFHSA-N 292.339 1.625 0 50 CDAA Cc1cccc(CNC(=O)[C@@H]2NCCOc3ccccc32)n1 1615614904 MFOLYEPOZZLVFJ-MRXNPFEDSA-N 297.358 1.730 0 50 CDAA CCc1nsc(N[C@H]2CNc3c(c(C)nn3C)C2)n1 1616025226 XGNSPHJDDFNWKL-MRVPVSSYSA-N 278.385 1.591 0 50 CDAA CN1C[C@@H](CN2CCOc3ccccc3C2)CCC1=O 1772818958 COGVEAPROPBVCL-ZDUSSCGKSA-N 274.364 1.749 0 50 CDAA CNC(=O)C12CC3CC(C1)CC(C(=O)NC)(C3)C2 5101620 AYKPBQKKIQUHAF-UHFFFAOYSA-N 250.342 1.065 0 50 CDAA CCNC(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12386120 JYLBWSWBJPQUHL-CYBMUJFWSA-N 287.363 1.074 0 50 CDAA CSCC[C@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1 154689297 GIQDYRXYRSTVDY-SECBINFHSA-N 295.364 1.514 0 50 CDAA Cc1cc(C)n([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)n1 1857688584 RNYQEKZSAKOADI-CYBMUJFWSA-N 273.340 1.239 0 50 CDAA O=C(Cc1ccccn1)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1857717937 GRUPQIUHFWRQKA-GDBMZVCRSA-N 297.358 1.081 0 50 CDAA N=c1cc(-c2ccc([C@H]3CNC(=O)C3)cc2)cc[nH]1 1875246424 GLZPTGABKJEVIV-CYBMUJFWSA-N 253.305 1.765 0 50 CDAA CN=c1ccc(-c2ccc([C@H]3CNC(=O)C3)cc2)c[nH]1 1875248223 DLQNOUXPTMOVDR-CQSZACIVSA-N 267.332 1.816 0 50 CDAA CCOC(=O)c1nc(-c2ccc(F)cc2)c[n+]([O-])c1N 331423 NJJKLGUGZOQFNG-UHFFFAOYSA-N 277.255 1.280 0 50 CDAA O=C(O)C1(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 118966283 IEKPRKTUZZLXOF-MNOVXSKESA-N 263.268 1.663 0 50 CDAA Cc1noc([C@@H]2COCCN2C(=O)c2ccc(C)n2C)n1 121138583 JWPVNPVWZSKFJO-LBPRGKRZSA-N 290.323 1.239 0 50 CDAA CN1CCN(CC(=O)Nc2cc(F)ccc2F)CCC1=O 661811301 VEDXCRSSZZLTRN-UHFFFAOYSA-N 297.305 1.067 0 50 CDAA CCN1CCCN(C(=O)NCc2ccccc2)CC1=O 252572638 ZPZUUVVVNBETDU-UHFFFAOYSA-N 275.352 1.450 0 50 CDAA CS(=O)(=O)c1ccc2ncnc(NCC3CC3)c2c1 252509023 YBGMTOREGGFTNH-UHFFFAOYSA-N 277.349 1.855 0 50 CDAA Cn1cc(CC(=O)N[C@H]2CCOC(C)(C)C2)c(Cl)n1 814413366 HCOCIYIOUPFMEF-JTQLQIEISA-N 285.775 1.690 0 50 CDAA C[C@H]1CN(C(=O)c2ccc(C3CC3)nc2O)CCO1 820662947 GILMCSGRPZNAKC-VIFPVBQESA-N 262.309 1.526 0 50 CDAA CCN(CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(C)C)C1 933793783 GHYQWXRQTPOEPQ-CABCVRRESA-N 281.444 1.802 0 50 CDAA COC1CCC(NC(=O)[C@H](O)c2cccnc2)CC1 861951464 ZFCYPPBAGLOMCR-WXRRBKDZSA-N 264.325 1.189 0 50 CDAA CC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 226565 UCTIKPDFRKCYJW-CYBMUJFWSA-N 262.309 1.554 0 50 CDAA NC(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 6698162 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CCc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc1 299779342 NIVGVDFHOZQXAV-HOTGVXAUSA-N 299.378 1.581 0 50 CDAA COCCNC(=O)[C@@H]1CC(Cc2cccc(OC)c2)=NO1 299770451 UFJGYALGFBSNMI-AWEZNQCLSA-N 292.335 1.145 0 50 CDAA NC(=O)c1ccc(C(=O)N(CC(F)F)C2CC2)o1 269486283 NIAYADCHPOIGFO-UHFFFAOYSA-N 258.224 1.248 0 50 CDAA C=CC(=O)NCCC(=O)N(C)[C@H](C)c1cccnc1 269452674 PYAPEFZGEDLPIT-LLVKDONJSA-N 261.325 1.293 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC1Cc2ccccc2C1 823350064 CSJHIVYSLOKIDO-HOTGVXAUSA-N 260.381 1.463 0 50 CDAA Cc1cccc(-c2nc(CC(N)=O)nn2C(C)(C)C)n1 826841816 BWXUMSKAAADVOE-UHFFFAOYSA-N 273.340 1.431 0 50 CDAA CN(CC1(CO)CCC1)C(=O)CCCn1cccn1 584900211 ZJZUPMSLWLUYOW-UHFFFAOYSA-N 265.357 1.284 0 50 CDAA CC(C)(C)/C=C\C(=O)N(CC(=O)O)C1CCOCC1 492157819 UPOAFISXQQDRGH-DAXSKMNVSA-N 269.341 1.681 0 50 CDAA CNC(=O)C[C@@H]1CCN(CC(=O)NC2CCCCCC2)C1 670474329 HKIBIPXSJFFXIZ-ZDUSSCGKSA-N 295.427 1.283 0 50 CDAA Cc1cccc([C@@H](NC(=O)C2CC(=O)C2)C2CC2)n1 584894554 VCEPOZZTYAMHAX-AWEZNQCLSA-N 258.321 1.936 0 50 CDAA COCCn1cncc1CNC(=O)c1scnc1C 670465649 ZFTGHORZYXSWOS-UHFFFAOYSA-N 280.353 1.224 0 50 CDAA O=C1CCCCN1CCc1ncnn1CC(F)(F)F 670444955 QTRJYFBPFOAONW-UHFFFAOYSA-N 276.262 1.395 0 50 CDAA C[C@@H](CC(=O)O)CC(=O)N=c1nc(C(C)(C)C)[nH]s1 1875337921 JGGQMYPAORGQGS-SSDOTTSWSA-N 285.369 1.697 0 50 CDAA C[C@H]1CCN(C(=O)c2nccc3c2CNCC3)[C@@H]1C 1875304298 GKODHXDBHSDEKA-WDEREUQCSA-N 259.353 1.598 0 50 CDAA COC(=O)C1CCN(c2nnnn2C[C@H]2C=CCC2)CC1 952878844 JVIFWVVLNKIRPG-NSHDSACASA-N 291.355 1.029 0 50 CDAA CCOc1cc(N2C[C@H]3CCN(C)C[C@@H]3C2)ncn1 952991657 FUOIOFQEIDEHDL-VXGBXAGGSA-N 262.357 1.263 0 50 CDAA COc1ccc2nnc(CCC(=O)N3CCC[C@H]3C)n2n1 1875278208 IMDPFKPTCYZGNG-SNVBAGLBSA-N 289.339 1.076 0 50 CDAA COc1nscc1Cn1cnc2snc(C)c2c1=O 1166072997 LCHHSHOCMCJDKO-UHFFFAOYSA-N 294.361 1.675 0 50 CDAA COCCN1CCC[C@@H](CNc2ncc(Cl)cn2)C1 952963759 KBFYIQDNVAESIP-NSHDSACASA-N 284.791 1.900 0 50 CDAA C[C@@H]1Cc2cc(NC(=O)CCS(C)(=O)=O)ccc2O1 885602472 ACRHIWYWODYOJG-SECBINFHSA-N 283.349 1.383 0 50 CDAA CC[C@@H]1C=CCN1C(=O)c1ccc(Cn2nnnc2C)cc1 952976976 ZBNAZHBMIFDTKP-OAHLLOKOSA-N 297.362 1.820 0 50 CDAA CO[C@@H]1CN(C2CCCC2)C[C@H]1c1cn(C)nn1 886071749 DWKZCQPOJMOLEW-WCQYABFASA-N 250.346 1.172 0 50 CDAA CO[C@@H]1CCCCN(CC(=O)Nc2c(C)noc2C)C1=O 886074688 ODLRWQIHKDJONR-LLVKDONJSA-N 295.339 1.257 0 50 CDAA CC(C)[C@@H](NCCCOCC(F)F)c1nncn1C 888096046 IPFRWUOUYJOJQO-LLVKDONJSA-N 276.331 1.774 0 50 CDAA Cn1cnc2c1CCN[C@@]21CCN(C(=O)OC(C)(C)C)C1 1772717458 DEYBUESKVAWLGW-OAHLLOKOSA-N 292.383 1.402 0 50 CDAA CCn1nc(C(=O)N[C@H](c2ccncc2)C2CC2)ccc1=O 890916094 MODNTXXLDHSVDY-HNNXBMFYSA-N 298.346 1.539 0 50 CDAA O=C(CC[C@@H]1CCCNC1)NCc1ccccc1C(=O)O 1773941032 XIPNJNCBZXKADO-LBPRGKRZSA-N 290.363 1.781 0 50 CDAA Cc1nc(C2CN(c3ncnc4scnc34)C2)n[nH]1 1335540255 MIVYCWOACCMEQU-UHFFFAOYSA-N 273.325 1.117 0 50 CDAA CCOc1cccc(CC(=O)N2C[C@@H](N)C3(CCC3)C2)n1 1775962295 DBHFPCHUXKZTQC-CYBMUJFWSA-N 289.379 1.363 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2ccncc2F)C[C@@H]1N(C)C 1565512178 NNYOGBADMYSNEQ-OCCSQVGLSA-N 279.359 1.879 0 50 CDAA Cc1ccc(OCC(=O)N2CCN(C)CC2)cc1C 19214256 NHHSCCVQJCMHQL-UHFFFAOYSA-N 262.353 1.456 0 50 CDAA N[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169808302 GLQOALGKMKUSBF-UHFFFAOYSA-N 275.427 1.612 0 50 CDAA in-vitro O=C(CC[C@H]1CCCOC1)N(C[C@@H]1CCCN1)C1CC1 186549750 YGFBKENBDHBPCO-KGLIPLIRSA-N 280.412 1.936 0 50 CDAA C[C@@H](Nc1ccn(-c2ccccc2Cl)n1)C(N)=O 188599378 CYCUOROZGLMQQW-MRVPVSSYSA-N 264.716 1.811 0 50 CDAA Cc1nocc1CNC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 408522133 DMWVOLXQXTZGSM-LLVKDONJSA-N 295.339 1.609 0 50 CDAA C[C@@H]1C[C@@H]1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)O 676034358 DHKLVENYPLOOBZ-XWIASGKRSA-N 279.311 1.841 0 50 CDAA C[C@H]1C[C@H](C)CC[C@H]1NCCCNS(C)(=O)=O 221803734 YMHCUQARWBXYBC-GRYCIOLGSA-N 262.419 1.340 0 50 CDAA COC(=O)C1(C(=O)N2C[C@H](C)Oc3ncccc32)CC1 189068918 GBNDWDLPGWBRLU-VIFPVBQESA-N 276.292 1.149 0 50 CDAA CN1CC[C@H](NC(=O)Nc2ccc3ccccc3n2)C1=O 640519954 ZRFDVHVXICBTHA-LBPRGKRZSA-N 284.319 1.587 0 50 CDAA CN1CCC[C@H](n2cc(-c3ccccc3F)nn2)C1=O 641085874 QVAMQISTFJETHS-ZDUSSCGKSA-N 274.299 1.878 0 50 CDAA CCCCS(=O)(=O)N1CCc2nccc(N)c2C1 585138083 MWXBYOZCVOEITQ-UHFFFAOYSA-N 269.370 1.152 0 50 CDAA O=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)c(O)c1 585135212 QGZDLHLNVLLLNK-MRVPVSSYSA-N 291.756 1.503 0 50 CDAA CC[C@@H]1C(=O)NCCN1C[C@H](C)CNC(=O)OC(C)(C)C 585116612 CQSXNZCCILEQHX-VXGBXAGGSA-N 299.415 1.358 0 50 CDAA Cc1cnc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cn1 192998744 VQSBCIMRRVMMTB-UHFFFAOYSA-N 289.295 1.054 0 50 CDAA CNC(=O)c1cccc(CN2[C@H]3CC[C@@H]2CN(C)CC3)c1 653683946 ICFIUODXKCWNOV-JKSUJKDBSA-N 287.407 1.715 0 50 CDAA CNC(=O)CC[C@H]1CCCN(c2ccncc2F)C1 1506414954 SYVWWUZLRDOOFN-LLVKDONJSA-N 265.332 1.963 0 50 CDAA CC(=Cc1ccccc1)CN1CCN(CC(N)=O)CC1 1857531815 ZZDBTZXPJWATID-UHFFFAOYSA-N 273.380 1.193 0 50 CDAA Cn1cc(Cl)cc1C(=O)N(CCO)Cc1ncc[nH]1 1704306597 PXKITSNYKHUNPR-UHFFFAOYSA-N 282.731 1.036 0 50 CDAA CCCCc1ncc(CN(CCO)Cc2cncn2C)[nH]1 1704304747 NKJQHSQGZGRITJ-UHFFFAOYSA-N 291.399 1.480 0 50 CDAA CC(=O)N/C(=C\c1cccnc1)C(=O)NC(C)(C)C 5016442 XDRJOTWKABTMQG-WQLSENKSSA-N 261.325 1.473 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1ccncc1Cl 310849477 LXROGNZFMRHAAH-QWRGUYRKSA-N 270.716 1.269 0 50 CDAA CO[C@@H](C)c1ncc(C(=O)N2CCCC[C@H]2CN)s1 1875270160 DKCVRWMHGGLAHO-UWVGGRQHSA-N 283.397 1.804 0 50 CDAA C[C@@H]1NC(=O)N(Cc2ccccc2F)C(=O)[C@H]1C 1615548289 MDKCYUTUWKDSOJ-IUCAKERBSA-N 250.273 1.902 0 50 CDAA O=C(CCc1cccc(OC(F)F)c1)NCc1cnon1 1615587328 YDNDQGFMOASOEH-UHFFFAOYSA-N 297.261 1.920 0 50 CDAA O=C(O)c1cnn2c1N[C@H](C1CC1)C[C@@H]2C(F)F 1615766561 NUJDIIXPGRVWIO-JGVFFNPUSA-N 257.240 1.982 0 50 CDAA CC(C)[C@H]1CN(CC(C)(C)N2CCOCC2)C[C@@H]1C(=O)O 1616103865 NLXLMERDKGDRDV-KGLIPLIRSA-N 298.427 1.386 0 50 CDAA O=C(COC[C@@H]1CCCO1)OCc1cc(Cl)ccn1 584906951 CBSLSYVTLHYOGO-LBPRGKRZSA-N 285.727 1.974 0 50 CDAA c1cc2c(cc1-c1cnc3nonc3n1)OCCO2 1848444184 STWBTTVNBJAHSY-UHFFFAOYSA-N 256.221 1.451 0 50 CDAA CCc1nc(C)c(C(=O)N[C@](C)(CO)C2CC2)o1 1545747651 LDHSUEHFTGYSEU-CYBMUJFWSA-N 252.314 1.436 0 50 CDAA CN(C)Cc1nnc(NCCCOC2CCCC2)o1 1772704760 FCYFIMCRWRMBNG-UHFFFAOYSA-N 268.361 1.892 0 50 CDAA CN1Cc2nnc([C@H]3CCCNC3)n2-c2ccccc2C1=O 1772810286 KBRBJKUNMREKJB-NSHDSACASA-N 297.362 1.320 0 50 CDAA Cc1ncc(C(=O)N2CCC[C@H](C3(O)CC3)C2)cn1 1775983358 KTORZWPNHITOND-LBPRGKRZSA-N 261.325 1.162 0 50 CDAA Cc1ccc2nc(CCN3C[C@@H]4CNC(=O)C[C@@H]4C3)[nH]c2c1 1775984263 LTRFQRFRRHGOSI-OLZOCXBDSA-N 298.390 1.482 0 50 CDAA O=C(Nc1ccc(Br)cn1)c1nnc[nH]1 5338180 RFRQHFKUAKJARJ-UHFFFAOYSA-N 268.074 1.215 0 50 CDAA Cc1ncsc1C(=O)N[C@H]1CC(=O)N(CC(C)(C)C)C1 12433024 RHFOLUXNCOFVMB-JTQLQIEISA-N 295.408 1.828 0 50 CDAA CS(=O)(=O)NCc1ccccc1Br 13736975 VGMAKIRRZLTEOW-UHFFFAOYSA-N 264.144 1.498 0 50 CDAA CCCCN1C(=O)N(C)[C@H]2[C@H]1N(C)C(=O)N2CCCC 13858303 BSLPDPNWYWWKDM-TXEJJXNPSA-N 282.388 1.974 0 50 CDAA CCN1CCN(C(=O)c2cccc(OC)c2OC)CC1 16605669 KKKNXEOGBBAVSN-UHFFFAOYSA-N 278.352 1.482 0 50 CDAA O=Cc1cn(C[C@H](O)CN2CCOCC2)c2ccccc12 19200460 QVHFLNIOJDCZLW-CQSZACIVSA-N 288.347 1.147 0 50 CDAA O=Cc1c[nH]c2ncc(I)cc12 206020765 HLQWQIZDLGNXAS-UHFFFAOYSA-N 272.045 1.980 0 50 CDAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[S@@](=O)C1 205082041 PRDURGTXZLLRFK-ADVCWENDSA-N 277.389 1.736 0 50 CDAA Cc1cc2c(cc1-c1nccn1[C@H]1CCN(C)C1=O)OCO2 1857674999 HCUJUJCVMOZNFN-LBPRGKRZSA-N 299.330 1.990 0 50 CDAA CCCc1cnc(N2C[C@@H]3CNC(=O)C[C@@H]3C2)nc1 1857704366 OYLCFDYOWXAUIV-NEPJUHHUSA-N 260.341 1.001 0 50 CDAA NCc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 237946424 AZTYSCXLJKDSOM-CQSZACIVSA-N 299.378 1.289 0 50 CDAA Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CN)c(C)o1 225459370 HTQZEJVZJRMBAK-BXKDBHETSA-N 286.397 1.644 0 50 CDAA CCCOCC(=O)NC1CCN(c2cccc(C)n2)CC1 116667171 RWHBHFVVPNFLGZ-UHFFFAOYSA-N 291.395 1.902 0 50 CDAA Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)ncn1 538470271 MXEMLYDRLWWUPE-CYBMUJFWSA-N 299.330 1.458 0 50 CDAA O=C1CCC[C@@H](CC(=O)N2CCc3c(F)cc(F)cc32)N1 341271050 NAMMUEYHELFSEY-JTQLQIEISA-N 294.301 1.913 0 50 CDAA CC[C@](NC(=O)[C@H]1CCOC1)(C(=O)O)c1ccccc1 262462880 RADJJXUBGNNESS-XHDPSFHLSA-N 277.320 1.529 0 50 CDAA CCNc1nc(C(=O)N[C@@H]2CCN(C(=O)CC)C2)cs1 163545923 JJIYTWUBCYNUNG-SECBINFHSA-N 296.396 1.316 0 50 CDAA COC(=O)N1CCC(c2cc(C(=O)O)n(C)n2)CC1 906008165 GIPWBEPFQSCNJP-UHFFFAOYSA-N 267.285 1.064 0 50 CDAA C=CC(=O)N1CCC(NC(=O)c2ccoc2C)CC1 820436933 SDKBFFVKIRFEJA-UHFFFAOYSA-N 262.309 1.495 0 50 CDAA O=C(CN1CCOC1=O)N1CCC(c2ccncc2)CC1 822435276 TULOCKNIEXCDGP-UHFFFAOYSA-N 289.335 1.240 0 50 CDAA c1ccc(N2CCN(CC[C@H]3COCCO3)CC2)cc1 1775980653 GJZMFGIPGBLKKP-INIZCTEOSA-N 276.380 1.614 0 50 CDAA CCn1cc(CN(C)CC[C@H]2COCCO2)cn1 1775983030 GVUVYWABWRWFHO-ZDUSSCGKSA-N 253.346 1.140 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2nnc(C=O)s2)C1 1857780071 GCSBDZUVARFKRE-UHFFFAOYSA-N 269.326 1.685 0 50 CDAA C[C@H]1CNCCN1C(=O)CCOc1ccc(F)cc1 125488379 WOKAWRHZDNLJGW-NSHDSACASA-N 266.316 1.415 0 50 CDAA Cc1cccc(C(=O)N2CCOC[C@H]2CC(=O)O)c1Cl 160254920 FPVVSRPYFUJQFJ-SNVBAGLBSA-N 297.738 1.964 0 50 CDAA Cn1cc([C@H]2CCN(c3cccc(C(=O)O)n3)C2)cn1 263532965 XNZZPXHYWMCFTB-JTQLQIEISA-N 272.308 1.507 0 50 CDAA CC[C@H](O)CN1CCc2[nH]nc(C(F)(F)F)c2C1 369183542 MJXGNWKXZQROGH-ZETCQYMHSA-N 263.263 1.558 0 50 CDAA CCc1cnccc1-c1noc([C@H]2OCC[C@H]2CN)n1 715549296 IKWNBVVKRZPZQX-JQWIXIFHSA-N 274.324 1.730 0 50 CDAA Cc1nc(NC(=O)[C@]23CC[C@H]2CNC3)sc1C 912057008 XURAUGSDXXDSOT-CABZTGNLSA-N 251.355 1.698 0 50 CDAA CCc1ncc(CNc2ccc(S(C)(=O)=O)cn2)[nH]1 1412924457 XILJXWNEKGBXRV-UHFFFAOYSA-N 280.353 1.383 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@H]2C[C@@H](O)C2)C1 408521878 YARIWQCUOWBGGM-UPJWGTAASA-N 284.400 1.746 0 50 CDAA COc1cc(Cn2nc(Cl)cc(C3CC3)c2=O)on1 902581447 BITFXOWOGKSRAR-UHFFFAOYSA-N 281.699 1.819 0 50 CDAA Cc1cnccc1CCNC(=O)N1CC[C@H](CN(C)C)C1 130455678 HZENLQCWQSVPNG-CQSZACIVSA-N 290.411 1.526 0 50 CDAA CC(C)c1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1 130478 RZLSTESCQVOCFX-ZDUSSCGKSA-N 275.352 1.227 0 50 CDAA Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1 453314 FCGSWXUSHHPLBE-UHFFFAOYSA-N 256.261 1.825 0 50 CDAA COC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 582821 OHGSYNHXUMSVIH-UHFFFAOYSA-N 295.719 1.418 0 50 CDAA CC(=O)Oc1ccc(C[C@H]2SC(=O)NC2=O)cc1 1037080 ZIKUTZAEHMKJOI-SNVBAGLBSA-N 265.290 1.506 0 50 CDAA CCOC(=O)[C@]1(C)CC(=O)C(=O)N1c1ccccc1 2287834 XHOHEXJPQYWMRA-AWEZNQCLSA-N 261.277 1.314 0 50 CDAA Cc1n[nH]c(C)c1-c1cnc2c(N3CC[C@@H](O)C3)nccn12 2356155828 ODDXNIINZNCQGW-LLVKDONJSA-N 298.350 1.307 0 50 CDAA O=C(CNC(=O)Cc1ccccc1)NCc1ccco1 2868196 YPWJVZNQIFQLQI-UHFFFAOYSA-N 272.304 1.255 0 50 CDAA CC[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)O)CC1)n1cccn1 2356166032 UEXRISLJXQILDX-GRYCIOLGSA-N 279.340 1.594 0 50 CDAA CC(C)N1C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](C)C1 246946930 KHBKFZCSRPVMAS-TZMCWYRMSA-N 282.409 1.694 0 50 CDAA CCN(CCNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1CC1 246967907 OORQDLFNZISJDB-MGPQQGTHSA-N 295.427 1.583 0 50 CDAA C[S@@](=O)C[C@@](O)(c1ccccc1)c1ccccn1 4620367 JPZFDXJHIOXEQL-KDOFPFPSSA-N 261.346 1.696 0 50 CDAA CCCn1nnc(NC(=O)c2ccc(CC)cc2)n1 9142065 QGAPSQABVFAZRT-UHFFFAOYSA-N 259.313 1.898 0 50 CDAA Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2ncnn21 9669342 AHFGPEOCBDBJNG-SNVBAGLBSA-N 271.280 1.109 0 50 CDAA O=S1(=O)NN=C(c2ccccc2)c2ccccc21 21365448 SUDHWWVNRMNJHL-UHFFFAOYSA-N 258.302 1.731 0 50 CDAA Cc1c(Cl)cccc1C(=O)N1CCNC(=O)C1 113144610 FMZFMPMYZNIQGH-UHFFFAOYSA-N 252.701 1.220 0 50 CDAA C[C@@H](CO)NCC(=O)Nc1ccc(F)c(F)c1F 65385450 CIIRRYWKDLSFCD-LURJTMIESA-N 262.231 1.013 0 50 CDAA C/C(=C\c1ccccc1)CN1CCN(C)[C@H](C(=O)O)C1 67879518 IEADVOWUGNDNET-VOMSXAGXSA-N 274.364 1.791 0 50 CDAA CCCn1ncc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C 65405491 LBUUPNKTJVUTTE-JKSUJKDBSA-N 299.374 1.990 0 50 CDAA CSc1cccc(CN(C)C(=O)c2ncn[nH]2)c1 67893980 ZZKHBGCXYMXUMJ-UHFFFAOYSA-N 262.338 1.799 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NCc2ccc(CO)c(F)c2)CO1 331259113 HHBFYNMCYSBPRU-BXKDBHETSA-N 267.300 1.359 0 50 CDAA Cc1n[nH]c(C)c1[C@H](NC(=O)CC(F)(F)F)C(=O)O 67677699 HBZKXUGQGOMUHR-QMMMGPOBSA-N 279.218 1.221 0 50 CDAA CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2C1=O 65734923 ZBUIOQQRBIZZOM-UHFFFAOYSA-N 290.319 1.807 0 50 CDAA in-vitro Cc1cc(-n2cnnc2CCc2ccccc2O)n(C)n1 67691488 SYPSXADGGIDNSH-UHFFFAOYSA-N 283.335 1.800 0 50 CDAA Cn1c(C(=O)N[C@@H]2CCCOc3ccccc32)cnc1O 521396423 WSFYHAVLYGGCPS-LLVKDONJSA-N 287.319 1.769 0 50 CDAA CC(C)=CCC[C@@]1(C)OC(=O)N(n2cnnc2)[C@@]1(C)O 74607 RSCFADZELGMIHL-OLZOCXBDSA-N 280.328 1.580 0 50 CDAA C[C@@H]1COCCN1CCN(CCCO)c1ccccc1 328589338 YCFFDMMVLBPAPD-OAHLLOKOSA-N 278.396 1.596 0 50 CDAA CN1CCO[C@H](CN(Cc2csnn2)CC2CC2)C1 328655966 YWEKREPFCMPPSH-ZDUSSCGKSA-N 282.413 1.081 0 50 CDAA OC[C@@H]1[C@H]2CN(Cc3cc4c(cc3Cl)OCCO4)C[C@H]21 366432644 GZGDKYMKWVPLEY-GDNZZTSVSA-N 295.766 1.781 0 50 CDAA Cc1nnc(N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)o1 285063497 OVZZFACTHROEEX-JOYOIKCWSA-N 281.262 1.969 0 50 CDAA Cc1cc(C[C@H](C)NC(=O)c2c(Cl)cnn2C)[nH]n1 71404164 MTXMHVMBJLRZMC-ZETCQYMHSA-N 281.747 1.466 0 50 CDAA CO[C@](C)(C(=O)N1CC[C@]2(CN=C(O)C2)C1)C1CC1 329626176 OTWSRFKIOUQTLX-KBPBESRZSA-N 266.341 1.380 0 50 CDAA COCc1nc2n(n1)C[C@@H](NCc1ccc(Cl)o1)CC2 332229533 LUPHMVFIQCKPRL-VIFPVBQESA-N 296.758 1.776 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1cccc(Oc2cnccn2)c1 124571515 OOFPOYDZPZHEAA-GFCCVEGCSA-N 298.346 1.703 0 50 CDAA O=C(NCc1ccc(F)cc1)NCc1cccnn1 435911045 HZNPTOKQDRJXIR-UHFFFAOYSA-N 260.272 1.615 0 50 CDAA Cc1cccc(-n2cc(C(=O)N3CCNC[C@H]3C)nn2)c1 124623889 WERAZFGCWJNJHR-GFCCVEGCSA-N 285.351 1.010 0 50 CDAA COc1cc(C)ccc1N1C(=O)[C@H]2COCCN2C1=O 367606534 GNYZBTUAHNBHOC-LLVKDONJSA-N 276.292 1.171 0 50 CDAA COCC1(CNc2nccnc2C)CCNCC1 261561021 FQYMHZBXMFVSBO-UHFFFAOYSA-N 250.346 1.213 0 50 CDAA c1cn(C2CCCC2)c(-c2cc3n(n2)CCNC3)n1 72438392 BXBJQIMJUANDNF-UHFFFAOYSA-N 257.341 1.965 0 50 CDAA Cc1ccsc1[C@]1(C(=O)N2CCNC(=O)C2)CC1(C)C 215734920 FNUSLEBYNPWLTQ-HNNXBMFYSA-N 292.404 1.683 0 50 CDAA Cn1nccc1C1CCN(C(=O)c2ccc(CN)cc2)CC1 237678308 NAYVCKWTSHQCAD-UHFFFAOYSA-N 298.390 1.899 0 50 CDAA Cc1cc(CN2C(=O)[C@@H]3CCCCCN3C2=O)n(C)n1 376037244 NXDZHTFGHRBRNP-LBPRGKRZSA-N 276.340 1.435 0 50 CDAA C[C@H]1CC2(CCC2)CN1C(=O)[C@H]1CCN(C)C(=O)C1 334492935 OTVNJFDMKBBORE-RYUDHWBXSA-N 264.369 1.646 0 50 CDAA Cc1ccc(NC(=O)C2(NC(N)=O)CC2)c2cccnc12 158590786 BUQQTAYDCQUPIF-UHFFFAOYSA-N 284.319 1.683 0 50 CDAA Cc1nc(-c2cccc(NC(=O)c3cnccn3)c2)n[nH]1 77544193 DBPGEZVIMZNSLL-UHFFFAOYSA-N 280.291 1.822 0 50 CDAA Cc1nc(C)c(CN2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)s1 289165314 DXASMXMMIGXPEO-SNVBAGLBSA-N 293.396 1.551 0 50 CDAA O=C(NCCc1ccc2c[nH]nc2c1)N1CCCC1 340629216 VSNZTYFPNIJVLZ-UHFFFAOYSA-N 258.325 1.911 0 50 CDAA O=C(c1ncc2c(F)cccn12)N1CCOC[C@H]1C1CC1 528915103 DNXDMWSBNYOITK-ZDUSSCGKSA-N 289.310 1.724 0 50 CDAA CC(C)(C)c1ccc(CS(=O)(=O)C[C@@H](O)CO)cc1 177674310 FCMZPQMDPQLZBG-ZDUSSCGKSA-N 286.393 1.252 0 50 CDAA CC(C)(C)OC(=O)N1CCN(c2nccnc2N)CC1 40448278 TVVMFRXXKIFECN-UHFFFAOYSA-N 279.344 1.116 0 50 CDAA Cc1nc(C)c(C(=O)N(C2CC2)[C@@H](C)C(=O)O)nc1C 263549427 JQTSETJKQIEMGJ-JTQLQIEISA-N 277.324 1.480 0 50 CDAA O=C(N[C@H]1COC2(CCCCC2)C1)c1cnc(O)cc1O 426551765 GUMUNEGIJVSHID-SNVBAGLBSA-N 292.335 1.714 0 50 CDAA COCC[C@H]1COCCN1C(=O)CCc1nccs1 291213006 OHTJUYBOCCGGPW-NSHDSACASA-N 284.381 1.340 0 50 CDAA C[C@@H]1OCC[C@@H]1[S@@](=O)[C@@H](C)C(=O)NC1CCCCC1 179092120 RHFJQTYPEBGOKQ-UKQQZGDDSA-N 287.425 1.750 0 50 CDAA Cc1cccc(OCCC(=O)N(C)[C@H]2CCNC2)c1C 179121205 JNHCYIFNKVHZBH-AWEZNQCLSA-N 276.380 1.893 0 50 CDAA Cc1cc(C)n(-c2ccc(C(=O)N(C)[C@H]3CCNC3)cc2)n1 179120652 LLSBRGCXRYMALW-INIZCTEOSA-N 298.390 1.923 0 50 CDAA COCCc1nc(-c2cc[nH]n2)n(-c2ccc(OC)cc2)n1 96132528 ZKQRQOCNUAURJU-UHFFFAOYSA-N 299.334 1.855 0 50 CDAA CO[C@@H](CN1CCN(C)[C@H](c2nc(C)no2)C1)C1CC1 333781182 UMUPIFOLTDRGJC-STQMWFEESA-N 280.372 1.092 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)[C@H]1CCCc2nn(C)cc21 335919867 QSPJZXWOPSRJBJ-JTQLQIEISA-N 273.340 1.819 0 50 CDAA CCc1nnc(N2CCN(c3ccccc3)C(=O)C2)o1 91657414 OPKXOHZVGNAAMK-UHFFFAOYSA-N 272.308 1.485 0 50 CDAA Cc1nccn1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O 426689889 PYCZESXIVUQICU-AWEZNQCLSA-N 299.330 1.230 0 50 CDAA CCCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](N)C1 236822834 QEVPJHHKEFNCAF-NSHDSACASA-N 296.392 1.044 0 50 CDAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc[nH]c1=O)C2 91644638 GYGRLVZFESQTSV-CHWSQXEVSA-N 289.379 1.321 0 50 CDAA CC1(C)OC(=O)C2(C(=O)O1)[C@H]1[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@@H]2[C@@H]2[C@H]5[C@@H]4[C@@H]12 245284673 TVUPDLNBECUJAB-XFDSLHCNSA-N 286.327 1.443 0 50 CDAA CC[C@@H](NC(=O)[C@H]1CC[C@@H](O)CC1)c1nc(C)c[nH]1 244773760 PFYCKIDCRGTSDB-GRYCIOLGSA-N 265.357 1.837 0 50 CDAA C[C@H]1CCCCN1C(=O)CN[C@@H]1CCO[C@H]1c1cc[nH]n1 625581689 JEZLUQFDYXVTDZ-YWPYICTPSA-N 292.383 1.230 0 50 CDAA CCN1CCN([C@@H]2CCN(C(=O)Cc3ccco3)C2)CC1 268973429 GIAVVUJQJWBREB-CQSZACIVSA-N 291.395 1.061 0 50 CDAA C[C@@H]1CN(CCCOc2ccc(C(N)=O)cc2)CCCO1 252507839 WUQLEOQPOLYGNR-CYBMUJFWSA-N 292.379 1.665 0 50 CDAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@H](O)C1CCCCC1)C2 534632914 UCODLAGAERKAGG-ZOBORPQBSA-N 266.385 1.123 0 50 CDAA Cc1cnn(CC(=O)N[C@@H](c2nccn2C)C(C)C)c1 534644245 AXDCNAMDQVLJLK-CYBMUJFWSA-N 275.356 1.439 0 50 CDAA C[C@H](CCNC(=O)N1CC(Oc2ccccc2)C1)N(C)C 534646553 RFLOLHFXVDXTHR-CYBMUJFWSA-N 291.395 1.799 0 50 CDAA Cc1nc[nH]c1C(=O)N[C@H](c1nccn1C)C(C)C 534672422 LAZFPOSLTBUARK-JTQLQIEISA-N 261.329 1.579 0 50 CDAA COC[C@@H](NC(=O)Nc1ccc(F)nc1)c1ccnn1C 299760902 RTOXREHLKKOVAC-SNVBAGLBSA-N 293.302 1.463 0 50 CDAA C[C@H](CC(=O)O)NC(=O)[C@H]1Cc2ccc(Cl)cc21 630133404 SOMRBXHRJGSRHN-HQJQHLMTSA-N 267.712 1.959 0 50 CDAA CSCCN1CCN(C(=O)c2ccc(Cl)cn2)CC1 299758414 PJJBTIMKTCCCFE-UHFFFAOYSA-N 299.827 1.856 0 50 CDAA CN(Cc1ncc[nH]1)C[C@@H]1CC(=O)N(c2ccccc2)C1 299780210 KGRBLSFSDFXEDX-ZDUSSCGKSA-N 284.363 1.895 0 50 CDAA COC(=O)N[C@H](C)C(=O)N(C)CCCc1c(C)n[nH]c1C 584886593 ZOZUCKMHNICNAS-LLVKDONJSA-N 296.371 1.162 0 50 CDAA N=c1[nH]c(CCC(=O)NCCc2nccs2)cs1 584889304 JOEIAEXXACWQBY-UHFFFAOYSA-N 282.394 1.304 0 50 CDAA Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1ncon1 584898272 GPNOUBDSKCGXKU-UHFFFAOYSA-N 263.301 1.001 0 50 CDAA C[C@H](CO)C1CCN(C(=O)c2c[nH]c(=N)s2)CC1 584887584 BMOPDDDTGAWZCJ-MRVPVSSYSA-N 269.370 1.036 0 50 CDAA C[C@@H](NC(=O)c1cccn1C1CC1)c1ncnn1C 670439901 RJCPHIBZUOVRPA-SECBINFHSA-N 259.313 1.443 0 50 CDAA COCCc1nc(Cc2cccnc2)nn1-c1ccncc1 670434053 VZJDAEZVQOZQRS-UHFFFAOYSA-N 295.346 1.837 0 50 CDAA CCCn1cnnc1[C@@H](C)NC(=O)c1cnccc1C 670436331 BKMDDGXQIJCTAX-LLVKDONJSA-N 273.340 1.883 0 50 CDAA Cc1ccc(OCCCNC(=O)[C@H](F)[C@H]2CCNC2)cc1 876628725 TYPCJVFGVRDUAL-DZGCQCFKSA-N 294.370 1.828 0 50 CDAA CC[C@@H](CNC(=O)C1CCC2(CCNC2)CC1)C(=O)O 1875279850 IMIVLVAGPGGMQG-BZUNDVKYSA-N 282.384 1.383 0 50 CDAA Cn1nccc1-c1nn[nH]c1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C1 1875298130 PBGCHDPDXNTFGO-BRPSZJMVSA-N 272.312 1.190 0 50 CDAA Cc1noc(C)c1S(=O)(=O)N1CCCc2c1n[nH]c2C 1875279738 BGRPFPCYPNBWFY-UHFFFAOYSA-N 296.352 1.464 0 50 CDAA O=C(N=c1[nH]oc2c1CCCC2)[C@@]12CCC[C@@H](CO1)C2 1875340750 QAJDHMANFIICOF-BMIGLBTASA-N 276.336 1.873 0 50 CDAA COc1ccccc1CNC(=O)CCc1cnco1 1875321852 YJDGCILXNMGNCH-UHFFFAOYSA-N 260.293 1.932 0 50 CDAA COC1(OC)CCN(C(=O)OC(C)(C)C)CC1=O 72267054 MAXHOIBAEYDIQE-UHFFFAOYSA-N 259.302 1.185 0 50 CDAA in-vitro CC[C@H](C(=O)NCc1cccc(C(=O)NC)c1)N(C)CC 952976176 DYULECAQZCNCOU-CQSZACIVSA-N 291.395 1.393 0 50 CDAA C[C@@H]1CC=CC[C@H]1C(=O)N1CC(c2cc(CO)on2)C1 886085403 GLKITOTWRJYPGY-ZWNOBZJWSA-N 276.336 1.695 0 50 CDAA O=C1CCC[C@H](COC(=O)c2ccc3nc[nH]c3c2)N1 1772394596 GYTKGKIKCSFEFT-SNVBAGLBSA-N 273.292 1.388 0 50 CDAA CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCOCC1(C)C 958719667 WBHOHOVWCJTDSR-ZDUSSCGKSA-N 273.329 1.781 0 50 CDAA C[C@@H]1CN(c2ccc3cc(Cl)cnc3n2)CC(=O)N1 894073218 UVPFLEDUVQGZIW-MRVPVSSYSA-N 276.727 1.608 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)c1ccn(CC(F)(F)F)n1 1775140652 SXGRZOJSMDDCPD-UHFFFAOYSA-N 287.245 1.441 0 50 CDAA O=C([C@@H]1CSCCS1)N1CCC[C@H](c2cn[nH]c2)C1 1775984703 PVYOMJZENVQQHJ-JQWIXIFHSA-N 297.449 1.964 0 50 CDAA C=CC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C 1336676727 OYGJAZHXPKJPQK-UHFFFAOYSA-N 282.365 1.678 0 50 CDAA Cn1cc([C@@H]2CN(c3nc4ccccc4o3)C[C@H]2CO)cn1 278115562 XQYCWHFZJFYNAV-STQMWFEESA-N 298.346 1.774 0 50 CDAA Cc1nc(NC(=O)CCC(=O)c2ccccc2)n(C)n1 170595024 WWKDMXLMEMALRX-UHFFFAOYSA-N 272.308 1.725 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)N1CCC(n2cncn2)CC1 408474261 NDNHNNQWDCKIKF-UONOGXRCSA-N 292.383 1.647 0 50 CDAA CCn1c(SCC(C)(CO)CO)nnc1-c1ccco1 408518348 BUSWAHLDGISCKT-UHFFFAOYSA-N 297.380 1.641 0 50 CDAA Cc1nccc(CNC(=O)[C@H](O)C2CCCCC2)n1 187294845 QFDDQLALBPKIIS-CYBMUJFWSA-N 263.341 1.342 0 50 CDAA Cc1[nH]c2ccccc2c1CC(=O)N1CCN[C@H](C)C1 189015377 FMURVLVDJGEXLV-LLVKDONJSA-N 271.364 1.839 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NCc1cccc(CO)c1 189197556 LZYPJTIPNUWOAZ-RISCZKNCSA-N 263.337 1.610 0 50 CDAA COCC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 640866798 PBUFKWBTDDKZPF-MCIONIFRSA-N 298.427 1.153 0 50 CDAA COc1cccc2c1CC[C@H](NC1(C(N)=O)CC1)C2 190522656 ZUXOQFWDTMZVDJ-NSHDSACASA-N 260.337 1.160 0 50 CDAA Cc1cccn2cc(CCNC(=O)[C@@H]3CC3(F)F)nc12 649039127 RJBQNCNOHFWQBO-NSHDSACASA-N 279.290 1.957 0 50 CDAA O=C(O)[C@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)c2ccccc21 653333426 OUNXPSVSIYKNGY-JIMOISOXSA-N 275.304 1.452 0 50 CDAA CCN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 662335762 QLPMJUZHFQEKIT-LBPRGKRZSA-N 263.389 1.019 0 50 CDAA C[C@@H](CNC(=O)N1CC(F)(F)C[C@H]1CO)c1ccccn1 665422135 OSOBFIVQAJCQFJ-QWRGUYRKSA-N 299.321 1.597 0 50 CDAA Cc1c[nH]nc1C(=O)Nc1cnn(-c2ccccn2)c1 669605835 GVBVTNHIDBRGQW-UHFFFAOYSA-N 268.280 1.551 0 50 CDAA NC(=O)c1cc(C(=O)N[C@@H](CCO)c2cccs2)c[nH]1 761927975 CNHOOZTZXOJFRX-VIFPVBQESA-N 293.348 1.029 0 50 CDAA CCc1ccccc1S(=O)(=O)N1CCO[C@H](OC)C1 585086257 ZNXUUBVJVGKKIJ-ZDUSSCGKSA-N 285.365 1.242 0 50 CDAA Nc1ncc(/C=C/C(=O)N2CCC[C@H]2c2cccnc2)cn1 1506407457 SGDJOQDXPQTKJR-GJBLVYBDSA-N 295.346 1.831 0 50 CDAA O=C(O)C1CCN(c2nccc(C(F)(F)F)n2)CC1 66645 QYAIISDWPUEPHG-UHFFFAOYSA-N 275.230 1.796 0 50 CDAA in-vitro CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1F 528141 QVJKFHOQXHAJLC-UHFFFAOYSA-N 289.328 1.245 0 50 CDAA CN(C)c1nccnc1NCCCNc1cccnc1 1529114221 MUOIWWXXINIRGH-UHFFFAOYSA-N 272.356 1.852 0 50 CDAA CCC1(CC)[C@@H](NC(=O)[C@H]2CSCN2)C[C@@H]1OC 236634108 RPSLWYAPEUOTSM-VWYCJHECSA-N 272.414 1.359 0 50 CDAA Cc1cc(C[C@@H]2CN(c3nccs3)C[C@@H]2O)on1 1704303372 IGSDLQKNTRSSRB-KOLCDFICSA-N 265.338 1.479 0 50 CDAA CC(=O)c1cnc(NC[C@@H]2CCCCN2C)nc1C 1704315368 AZNCPPUYTOAMSG-LBPRGKRZSA-N 262.357 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288.391 1.511 0 50 CDAA CN(Cc1ccoc1)[C@@H]1CCCN(c2ccn(C)n2)C1=O 331798173 WOMCQIDSQYLEOO-CYBMUJFWSA-N 288.351 1.641 0 50 CDAA C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccccc2F)CCN1 237520846 WOALNTNIYSDTGB-JTQLQIEISA-N 288.326 1.650 0 50 CDAA CC[C@@H](O)CN(C)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 583622210 ZJACYPBFZYNMBN-SOUVJXGZSA-N 296.390 1.092 0 50 CDAA CN1C[C@H](NC(=O)c2ccc[nH]2)CC[C@@H]1C(F)(F)F 583620081 UYAJOPNEOJDXLT-PSASIEDQSA-N 275.274 1.770 0 50 CDAA O=C(C1Cc2ccccc2C1)N1CCC[C@H]1C1(O)CC1 1772810366 LAEVROWZEKPXDO-HNNXBMFYSA-N 271.360 1.917 0 50 CDAA Cn1cc([C@@H](O)CNCc2cccc3nsnc23)cn1 1655728989 XMLUQHZHBHBWOS-LBPRGKRZSA-N 289.364 1.248 0 50 CDAA CCc1cccc(N[C@H]2C(=O)NCC23CCOCC3)c1 925722546 LVQLJHYUDBGDGD-AWEZNQCLSA-N 274.364 1.956 0 50 CDAA O=S(=O)(Cc1ccccc1)NC[C@H]1CCCO1 183572 CBBFRURBMYWMFO-GFCCVEGCSA-N 255.339 1.285 0 50 CDAA NC(=O)c1ccc(NC(=O)/C=C\C(=O)O)cc1Cl 4755093 MQFMLVFCEMHZKL-ARJAWSKDSA-N 268.656 1.018 0 50 CDAA CNc1cc(C)nc(N2CCO[C@@H](C(F)(F)F)C2)n1 71715065 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Cn1cc([C@H](O)C[C@@H]2CCCN2c2ccccn2)cn1 371310595 MPMVNPAMSOCHDT-UONOGXRCSA-N 272.352 1.908 0 50 CDAA Cn1cc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)cn1 335283076 VTXJSIMLKKWSSS-SNVBAGLBSA-N 277.290 1.962 0 50 CDAA CCc1ccccc1CCN1CC[C@](O)(c2c[nH]nn2)C1 284925360 VSZNIUAMNIYXCO-MRXNPFEDSA-N 286.379 1.503 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2cccc3ccccc23)C1 284921092 UJERSOSGSVUMBS-JKSUJKDBSA-N 299.370 1.991 0 50 CDAA COc1nc(OC)nc(-c2ccc3c(c2)OCCO3)n1 32517958 WNWZLQUHORDOLS-UHFFFAOYSA-N 275.264 1.327 0 50 CDAA Nc1ncccc1CN1CCC(N2CCC(O)CC2)CC1 72429335 YQDHDIWQFVDANM-UHFFFAOYSA-N 290.411 1.085 0 50 CDAA C[C@@H]1CCN(C(=O)N2CC[C@H](CN3CCCC3)C2)C1 336366536 YXMUNYIOQPGRSJ-ZIAGYGMSSA-N 265.401 1.866 0 50 CDAA CCc1noc(CN2CCCN(C[C@H]3CCCO3)CC2)n1 239722351 CCJOUASAMLYNDN-CYBMUJFWSA-N 294.399 1.319 0 50 CDAA Cc1ccc(-c2ccnc(N[C@@H]3CCCNC3=O)n2)c(C)n1 71752258 BJBFBVVQJFFGFY-CQSZACIVSA-N 297.362 1.846 0 50 CDAA Cn1nc(-c2nc(Cc3cccs3)no2)ccc1=O 242339175 ZFNDLWLJKUUBNP-UHFFFAOYSA-N 274.305 1.483 0 50 CDAA Cn1cccc1C(=O)NC[C@@](C)(C(=O)O)c1ccccc1 263297670 MTYDZEYPMXHWTB-MRXNPFEDSA-N 286.331 1.797 0 50 CDAA Cc1ncsc1CCN(C)C(=O)[C@H]1CCCO1 216443896 MWMSCUGLJRAWNO-SNVBAGLBSA-N 254.355 1.631 0 50 CDAA CC(C)c1cncnc1N1CCOC[C@@H](CN(C)C)C1 72127078 ATCGWIYMUPUXFT-ZDUSSCGKSA-N 278.400 1.614 0 50 CDAA CC[C@@H]1CN(C(=O)c2cc(C)n[nH]2)CCN1C(C)C 77564329 AYOUAAXPJWYJOS-GFCCVEGCSA-N 264.373 1.663 0 50 CDAA Cn1ccnc1[C@H](Nc1ncccn1)C1CCOCC1 343951660 QUVSPNOQADPEPE-GFCCVEGCSA-N 273.340 1.790 0 50 CDAA O=C(Cc1ccco1)N1CC[C@](CO)(c2ccccc2)C1 291360313 XZUPYFXIFHPCEX-KRWDZBQOSA-N 285.343 1.985 0 50 CDAA C[C@@](NC(=O)c1ocnc1C1CC1)(C(N)=O)c1ccccc1 288623260 QSQVJUWJEFYMLC-INIZCTEOSA-N 299.330 1.683 0 50 CDAA C[C@@H](O)c1ncc(CN2CC(O)(c3ccccc3)C2)s1 291649423 UMKRQEMPZVDTJD-LLVKDONJSA-N 290.388 1.900 0 50 CDAA c1cc(-c2ccc(-n3ccnc3)nn2)n2nccc2c1 426428166 AANBLZKJLLSSQZ-UHFFFAOYSA-N 262.276 1.977 0 50 CDAA CC(=O)c1c(F)cccc1N1CCC(NCCO)CC1 290882048 BYOFMGMYEMKXGG-UHFFFAOYSA-N 280.343 1.579 0 50 CDAA O=C(CCc1ccccc1Cl)NCCN1CCOCC1 40459721 IGJPTFMRLLZPQX-UHFFFAOYSA-N 296.798 1.721 0 50 CDAA CC(C)c1nccc(C(=O)NC2(C(N)=O)CCCC2)n1 426530493 RLHKFJFAXDZYMQ-UHFFFAOYSA-N 276.340 1.128 0 50 CDAA Cc1cc(C)n(C[C@H](C)NC(=O)N(C)CC2(C)COC2)n1 426530907 QKJMETHLHDPNDF-LBPRGKRZSA-N 294.399 1.566 0 50 CDAA N[C@@H]1CCN(C(=O)c2cnc(-c3ccncc3)s2)C1 269120119 JKQQRFLLXPUKPO-SNVBAGLBSA-N 274.349 1.378 0 50 CDAA CC(C)[C@@H](NC(=O)CCC(=O)O)c1nccn1C 426575128 PDOOCZHSVLILCB-LLVKDONJSA-N 253.302 1.098 0 50 CDAA N=C(N)NCCCO[C@@H]1CCC[C@H](C(F)(F)F)C1 95918047 OETBCKZVZFNTCU-DTWKUNHWSA-N 267.295 1.997 0 50 CDAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@@H](C)N(C)C)n1 426510929 ZOMNQPGIBRMQJI-MRVPVSSYSA-N 290.289 1.370 0 50 CDAA CCc1c(C)nc(N)nc1N1C[C@@H]2CCCN[C@@H]2C1 95353104 QDCRGUVNELBZCJ-CMPLNLGQSA-N 261.373 1.118 0 50 CDAA O=C1N[C@@H](CC(=O)N2CCSCC2)c2ccccc21 97815279 HJGDCFAJZXPIDP-LBPRGKRZSA-N 276.361 1.437 0 50 CDAA Cc1cc(CNC(=O)c2ccc3[nH]c(CO)nc3c2)n(C)n1 97522437 GXTKCKFZZPGQMU-UHFFFAOYSA-N 299.334 1.027 0 50 CDAA CC[C@@]1(O)CCCN(Cc2ccc(OCC(=O)O)cc2)C1 97569031 MPYJBWYQENBYSL-MRXNPFEDSA-N 293.363 1.887 0 50 CDAA Cc1ccc2nc(CN3CCN([C@H]4CCNC4)CC3)[nH]c2c1 244691024 JBGYDEZQHZPJKU-AWEZNQCLSA-N 299.422 1.351 0 50 CDAA COc1cncc([C@H](NC(=O)CSC)[C@H]2C[C@@H](O)C2)c1 244774042 PMZOHHIWTJIDFP-OLUVUFQESA-N 296.392 1.381 0 50 CDAA C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCOCC2)C1 181814683 LPCDXODQQMNVCF-WCQYABFASA-N 256.346 1.112 0 50 CDAA CN[C@@H](CC(C)C)C(=O)N(C)CCc1noc(C)n1 244873383 WPLXBKUWKNTHRS-NSHDSACASA-N 268.361 1.013 0 50 CDAA CSCC[C@@H](CO)Nc1ccc(C(=O)N(C)C)cn1 342783945 QUROVPUXHCMWDP-NSHDSACASA-N 283.397 1.309 0 50 CDAA CC(C)[C@H](CO)NC(=O)c1cc(-c2cccnc2)n[nH]1 252527529 CUMWYALJUBKZFB-ZDUSSCGKSA-N 274.324 1.218 0 50 CDAA O[C@@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@@H]([C@H]%11[C@H]9[C@H]([C@H]85)[C@H]4[C@H]%111)[C@H]2[C@H]([C@@H]63)[C@H]7%10 257357794 PWRHSMLABYNSSO-BLSHKWRNSA-N 276.379 1.575 0 50 CDAA Cc1noc(NC(=O)[C@@H]2CCc3nc(C(C)C)[nH]c3C2)n1 299740629 ATCUSJRKNRPRLV-SECBINFHSA-N 289.339 1.968 0 50 CDAA CCC[C@@H](N)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 299747618 DKKGVDYGIDFWLZ-NXEZZACHSA-N 281.322 1.209 0 50 CDAA O=C(O)C[C@H](NC(=O)C[C@H]1CCOC1)c1ccc(F)cc1 299750045 MNJFPKVVWBDWHL-MFKMUULPSA-N 295.310 1.884 0 50 CDAA Cc1cc(C)c(CN(C)CC(=O)O)c(C)c1CO 534642200 LYIUJXCZCIADBQ-UHFFFAOYSA-N 251.326 1.621 0 50 CDAA O=C([C@@H]1CSCN1C(=O)C1CCC1)N1C[C@H]2CC[C@H]1C2 358700284 PMFDOEXSEVUHSU-DRZSPHRISA-N 294.420 1.699 0 50 CDAA COCCc1noc(CNC(=O)c2ncoc2C(C)C)n1 534589563 OWWCWTLABXRRSX-UHFFFAOYSA-N 294.311 1.300 0 50 CDAA CO[C@H](CN1CC[C@](OC)(C(=O)O)C1)c1ccc(F)cc1 629369879 AHEKZIRJULIALA-UKRRQHHQSA-N 297.326 1.689 0 50 CDAA O=C(Nc1cnn2c1NCCC2)[C@H]1CCn2nccc2C1 1940195158 GUMBNXJUONWIMB-JTQLQIEISA-N 286.339 1.096 0 50 CDAA O[C@H](c1ccc2c(c1)CNCCO2)c1ccccn1 299778485 MSHRSGINFFLETP-OAHLLOKOSA-N 256.305 1.645 0 50 CDAA CC(C)(C)c1noc(CNC(=O)COC[C@@H]2CCCO2)n1 299788935 UQJNUUNEVUCRDF-JTQLQIEISA-N 297.355 1.179 0 50 CDAA Cc1nonc1CNC(=O)CC[C@@H](C)N1CCCC1 584900051 WTXQNKDOHVJFLD-SNVBAGLBSA-N 266.345 1.259 0 50 CDAA O=S(=O)(NCc1cnc2ccccc2c1)N1CCCC1 828388457 FMLQUZRZSJIUHM-UHFFFAOYSA-N 291.376 1.665 0 50 CDAA CC1CCN(CCCNC(=O)N(C)Cc2ncc[nH]2)CC1 584888490 UARHBBATXOTWRG-UHFFFAOYSA-N 293.415 1.673 0 50 CDAA Cc1c[nH]c(CN2CCC[C@H](c3nc[nH]n3)C2)c(C)c1=O 670446624 PNLJABHISXOMKK-LBPRGKRZSA-N 287.367 1.489 0 50 CDAA Cc1ocnc1C(=O)N[C@H]1CCCN(c2cnccn2)C1 584893694 NVUGNSDRDQPXLY-NSHDSACASA-N 287.323 1.172 0 50 CDAA Cc1ccc(N2CCN(CCn3cnnc3)[C@@H](C)C2)cc1 670472617 GFRRHYCIZYMDJD-HNNXBMFYSA-N 285.395 1.797 0 50 CDAA CC(=O)NC(C)(C)C[C@H](C)NCc1csc(N)n1 670448978 WYLGHDAYUCNQKX-QMMMGPOBSA-N 270.402 1.508 0 50 CDAA COC(=O)[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 66054709 OQAXKPFDEGWERL-SECBINFHSA-N 273.329 1.574 0 50 CDAA in-vitro COC1(OC)CCOC[C@@H]1NCCc1ccncc1C 685943206 GBFWSHGBCPXDCW-AWEZNQCLSA-N 280.368 1.300 0 50 CDAA C[C@@]1(c2ccccc2)CCCN1C(=O)[C@@H](N)CC(=O)O 1550218586 YDVQUOVRCLKBBV-WFASDCNBSA-N 276.336 1.326 0 50 CDAA Cc1cc(C)n(CCOC(=O)[C@@H]2CC23CCCC3)c(=O)n1 1875293409 OXSDGYLDNOTRRD-ZDUSSCGKSA-N 290.363 1.984 0 50 CDAA COC(=O)/C=C/CNC(=O)Cc1cc(F)ccc1OC 1875273251 JPWVMXGAOBUUIQ-ONEGZZNKSA-N 281.283 1.222 0 50 CDAA CS(=O)(=O)NC(=O)C[C@@H]1CCCc2ccccc21 1875390898 WIMUPNOHJOEYQV-NSHDSACASA-N 267.350 1.572 0 50 CDAA COCC1(CNC(=O)[C@H](C)Cn2cncn2)CCCC1 952977783 VXJOYFZSMUWQCG-GFCCVEGCSA-N 280.372 1.237 0 50 CDAA C[C@@H](C(=O)O)N1CCC(CNC(=O)C2CCCCC2)CC1 952872244 LENBRJYALHLMNT-LBPRGKRZSA-N 296.411 1.868 0 50 CDAA CC1(C)C[C@H]1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 952970036 HODSXOAFZWUFIT-ZDUSSCGKSA-N 293.411 1.829 0 50 CDAA CCN(CCc1nc2cccc(C)c2[nH]1)C(=O)[C@@H]1C=CCN1 952989388 CZFVQDXRJNYPNS-AWEZNQCLSA-N 298.390 1.790 0 50 CDAA O=C1CCCN1[C@H]1CCCN(c2nccn3ccnc23)C1 892465949 INQIWMVSHDUDST-LBPRGKRZSA-N 285.351 1.321 0 50 CDAA C=CC(=O)NC[C@@H](Cc1cc(F)c(F)c(F)c1)C(N)=O 1775997993 XWBUDOSXQHMSAD-MRVPVSSYSA-N 286.253 1.050 0 50 CDAA CCc1nc2c(C(=O)N[C@H]3CCNC34CCC4)ccnc2[nH]1 1775960781 FHTLMWJVGRUCBK-NSHDSACASA-N 299.378 1.535 0 50 CDAA Cc1ccc(C)c(C(=O)N2CC(c3ccnc(N)n3)C2)c1 1775992905 WENPXLBFCIKAEZ-UHFFFAOYSA-N 282.347 1.915 0 50 CDAA O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cnn2cccnc12 1363441505 RJYGYMGNTKIBLG-ZJUUUORDSA-N 296.277 1.008 0 50 CDAA Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccsc2)cn1 275359162 ASUGWQVKMVQCFI-OCCSQVGLSA-N 290.392 1.591 0 50 CDAA CC(=O)N(C[C@H]1CCCN1Cc1cncnc1)C1CC1 275730908 PBABPCDKOOMFPI-OAHLLOKOSA-N 274.368 1.452 0 50 CDAA COCc1cc(F)ccc1NC(=O)CCc1nnc[nH]1 186415521 ACVOIRKRNRRGSB-UHFFFAOYSA-N 278.287 1.662 0 50 CDAA CC1(C)CCC[C@H]1NCC(=O)NCc1cccnc1 170607213 LKMVXRKVJVLGGA-CYBMUJFWSA-N 261.369 1.866 0 50 CDAA O[C@H]1C[C@@H](c2cccc(F)c2)N(CCn2cccn2)C1 281609283 GTJPVCSQELHHBM-GJZGRUSLSA-N 275.327 1.830 0 50 CDAA O[C@@H]1C[C@H](c2cccc(F)c2)N(CCn2cccn2)C1 281609286 GTJPVCSQELHHBM-HUUCEWRRSA-N 275.327 1.830 0 50 CDAA Cc1nsc(N2CCCC[C@@H]2c2nc(O)n[nH]2)n1 408524207 REFDUKCHDUBRLC-SSDOTTSWSA-N 266.330 1.402 0 50 CDAA C/C(=C\c1ccc(F)cc1)C(=O)NC1(C(=O)O)CC1 222164617 NZIUHALXSLJRPS-CMDGGOBGSA-N 263.268 1.962 0 50 CDAA CN1CCN(C(=O)N[C@H]2C=CCCC2)C[C@@H]1c1ncc[nH]1 583621983 BPRPZBAHBPFHSX-QWHCGFSZSA-N 289.383 1.517 0 50 CDAA Cn1ccc(NC(=O)CSC[C@H]2CCCCO2)cc1=O 585124442 DINYXHQCNQAJQQ-GFCCVEGCSA-N 296.392 1.626 0 50 CDAA O=C(NC[C@H]1CCCC[C@H]1O)Nc1cnns1 192330694 KBOCDOLLVVEMSL-HTQZYQBOSA-N 256.331 1.211 0 50 CDAA CC(C)(C)OC(=O)CCC(=O)NC[C@@](C)(O)c1ccco1 192430695 HTGOTVAJCYTQLE-OAHLLOKOSA-N 297.351 1.725 0 50 CDAA Cn1cc(-c2cc(CN3CCC[C@@]3(C)C(=O)O)on2)cn1 652480594 KVECKBGPFXCLEW-AWEZNQCLSA-N 290.323 1.514 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 195554602 UUIVQKHBAVRWQA-XRGAULLZSA-N 293.455 1.835 0 50 CDAA O=C(N[C@H]1[C@@H]2CNC[C@@H]21)c1cc2cc(F)ccc2o1 575987701 BZJGIMWVPNVPKV-IWIIMEHWSA-N 260.268 1.520 0 50 CDAA Cc1cc(C)n(C[C@@H](C)NCc2nnc3ccccn23)n1 1506405821 ICVRNTSHMTZVND-GFCCVEGCSA-N 284.367 1.721 0 50 CDAA COc1nccnc1NC[C@H]1CC(=O)N(c2ccccc2)C1 1506399795 QBMLNLFHQSGRHE-GFCCVEGCSA-N 298.346 1.950 0 50 CDAA O=C(N[C@@H]1CNC[C@H](F)C1)OCc1ccccc1 110915990 ABEYDAZZAVWOEL-NEPJUHHUSA-N 252.289 1.613 0 50 CDAA in-vitro CSC[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C(N)=O 245344210 YDCRURHBJXTLGI-AEJSXWLSSA-N 258.387 1.146 0 50 CDAA CCCCn1cc(CNC(=O)NC2CC2)c(C)n1 358628209 JSSYBAHTMACETG-UHFFFAOYSA-N 250.346 1.953 0 50 CDAA COC(=O)N1CCN(C(=O)CCC(F)(F)F)CC1 491920312 TYWXZOHBMXDSQK-UHFFFAOYSA-N 268.235 1.240 0 50 CDAA Cc1cc(C)nc(CCNC(=O)c2ccc(N)nc2)n1 215357513 RDTCNLXGCRBIHU-UHFFFAOYSA-N 271.324 1.043 0 50 CDAA COCCCN1CCN(c2ccccc2OC)CC1 1664858 ITNSQDCAZVVFMS-UHFFFAOYSA-N 264.369 1.854 0 50 CDAA in-man Cc1ccc(C)c(CC(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)c1 1772708611 CTURCTPFPWJJDK-QLFBSQMISA-N 259.349 1.685 0 50 CDAA CCOc1cc(CNc2nnc(CNC)o2)ccc1OC 1772814340 UAGWOIBSVXZQCI-UHFFFAOYSA-N 292.339 1.808 0 50 CDAA Cc1ccc(C)c(OCCN(C)c2nnc(CN)o2)c1 1772708269 BHBRLCLOAHUODN-UHFFFAOYSA-N 276.340 1.660 0 50 CDAA Nc1ccc(Br)cc1-c1n[nH]c(S)nc1=O 5118760 RXMLNKSIEKWJSK-UHFFFAOYSA-N 299.153 1.465 0 50 CDAA CCCC[S@@](=O)C[C@@H](COC(C)C)OC(C)=O 5102560 NBEBVGRORGVLIO-PXAZEXFGSA-N 264.387 1.892 0 50 CDAA CN(C)c1ncc2c(n1)CCC[C@H]2NC1CCOCC1 12702258 YSJLSYBWLFOBHV-CYBMUJFWSA-N 276.384 1.689 0 50 CDAA CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)n2ncnc2N1 13125221 XZULBJTXLMIFIL-ZDUSSCGKSA-N 299.334 1.914 0 50 CDAA CN1CCN([C@H]2CCc3ccccc3C2)CCC1=O 15001438 UTWWNULLMWJFNU-HNNXBMFYSA-N 258.365 1.708 0 50 CDAA CS(=O)(=O)c1cc(F)ccc1N1CCCNCC1 15443734 VRIBWPNQUFTKKP-UHFFFAOYSA-N 272.345 1.029 0 50 CDAA Cc1csc2ncc(C(=O)NCC(C)C)c(=O)n12 16648538 MYXWQEUSLBBQCP-UHFFFAOYSA-N 265.338 1.450 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(CO)CCC3)n[nH]c21 1857528587 LCFJPGRWENUIFB-BDAKNGLRSA-N 279.340 1.077 0 50 CDAA CC1(C)CN(C(=O)[C@@H]2CCc3c[nH]nc3C2)[C@H]2COC[C@H]21 1857532165 DERPEURYMICSBR-QKCSRTOESA-N 289.379 1.398 0 50 CDAA O=C(NC[C@@H]1CCCO1)C(=O)c1c[nH]c2ccccc12 4163125 AMBVVVXOTTVQGJ-JTQLQIEISA-N 272.304 1.646 0 50 CDAA CN1C(=O)[C@H]2COC[C@@H]1CN(CCCc1ccccc1)C2 1875243270 YZQJIWKWHWRTRB-CVEARBPZSA-N 288.391 1.408 0 50 CDAA CCCn1ncnc1-c1ccc([C@@H]2CNC(=O)C2)cc1 1875246196 AHTSLWOVIYRAIX-ZDUSSCGKSA-N 270.336 1.959 0 50 CDAA CN1CCN(C[C@@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)CC1 105606612 AICFCFZWNLCFSD-CAOSSQGBSA-N 282.428 1.048 0 50 CDAA Cc1nn(C)c(=O)c(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1C 225411834 WDMMNHPIZDACHP-SKDRFNHKSA-N 277.368 1.658 0 50 CDAA Cc1ccccc1CS(=O)(=O)NC1(C(=O)O)CCCC1 534027158 BBKVMLSXIUYJSQ-UHFFFAOYSA-N 297.376 1.812 0 50 CDAA NC(=O)NC1CCN(C(=O)c2cccc3cc[nH]c23)CC1 331774855 BVMDMCUSAYVGRH-UHFFFAOYSA-N 286.335 1.441 0 50 CDAA O=C(CN1CCC[C@@H]1C(=O)O)NCc1cccc(Cl)c1 238093429 ORIHAZGVEBPOCV-GFCCVEGCSA-N 296.754 1.505 0 50 CDAA Cc1csc2ncnc(N3CCOC[C@H]3CC(N)=O)c12 665722719 IYOUGMXMJBEHMD-SECBINFHSA-N 292.364 1.080 0 50 CDAA Cc1nc(C(=O)N2CCCC[C@H]2CCC(=O)O)c[nH]1 263399107 GDVWVCXBFGUYPZ-JTQLQIEISA-N 265.313 1.578 0 50 CDAA CC1(C)C[C@@H](CNC(=O)c2nc(=N)cc[nH]2)C(C)(C)O1 902980579 OJIHYXPCNWLWFI-VIFPVBQESA-N 278.356 1.213 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCC[C@H]1c1ncc[nH]1 847646307 FTKCWDWRCZWUQQ-NSHDSACASA-N 299.334 1.760 0 50 CDAA CCN(CC)CCCN1CCS[C@@H]2COCC[C@H]21 230245959 KTIGGKYQQKSBSF-ZIAGYGMSSA-N 272.458 1.925 0 50 CDAA O=C(O)CN(C(=O)C1CC=CC1)C1CCOCC1 238095089 IBONAZSNBXAZRX-UHFFFAOYSA-N 253.298 1.045 0 50 CDAA COCC1(C(=O)NCc2ccc(CN)cc2)CCC1 65456931 ZUYPXKOKDBBZKF-UHFFFAOYSA-N 262.353 1.578 0 50 CDAA OCC1(CNc2ncc(Br)cn2)CCC1 302156001 MWFWYPLZMXSIGX-UHFFFAOYSA-N 272.146 1.814 0 50 CDAA O=C(O)CN1CCN([C@H]2CCc3ccccc3C2)CC1 67447007 MLRPFIRRQMJCOO-HNNXBMFYSA-N 274.364 1.246 0 50 CDAA O=C(NC[C@H](O)C1CCC1)c1ccc2nccn2c1 408520825 ZFBFCGHMDRIMGK-LBPRGKRZSA-N 259.309 1.225 0 50 CDAA Cc1csc(CN(C)C[C@H]2CCS(=O)(=O)C2)n1 330364578 RXBKMVUJQOQTSM-SNVBAGLBSA-N 274.411 1.318 0 50 CDAA O=C(c1ccc2nccn2c1)N1CCC[C@](F)(CO)C1 334963954 OLTHNIINNCMQLJ-CQSZACIVSA-N 277.299 1.271 0 50 CDAA CCCC1(NC(=O)[C@@H](N)Cc2cncs2)CC1 719103077 RWPAXGFWAZETAQ-JTQLQIEISA-N 253.371 1.462 0 50 CDAA CSC[C@H](C)C(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 398778760 MQXAZRYXBPWXDW-BJDJZHNGSA-N 257.399 1.605 0 50 CDAA CCOC(=O)CSc1nnnn1-c1ccccc1F 38364 HDIRCNIZLHQODB-UHFFFAOYSA-N 282.300 1.457 0 50 CDAA CCCN1C(=O)[C@](O)(C(F)(F)F)N=C1c1ccccc1 4843266 RDWLDVFNEGXYGE-LBPRGKRZSA-N 286.253 1.936 0 50 CDAA C[C@@H](C(=O)N[C@@H]1CCO[C@@H]1C(=O)O)c1ccccc1 659173017 QEWFTBAVUWMQDG-JLLWLGSASA-N 263.293 1.148 0 50 CDAA CN(N)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 315276 XKWVWXGSXCTSQD-UHFFFAOYSA-N 291.403 1.162 0 50 CDAA O=C(O)c1cccc(CN2CCO[C@@H]([C@H]3CCOC3)C2)c1 2325777533 JHAPYSNDACMDPQ-LSDHHAIUSA-N 291.347 1.622 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N(C=O)[C@@H]1c1ccccc1 139105 OCDYWBIASPWQFH-CYBMUJFWSA-N 288.303 1.746 0 50 CDAA C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc3nonc23)C1 215320 PFVSMBVUZUVGTO-UWVGGRQHSA-N 295.364 1.889 0 50 CDAA Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 359035 BYWZPUPRVIECEC-UHFFFAOYSA-N 276.361 1.790 0 50 CDAA in-vitro CN(c1ccccc1)S(=O)(=O)c1csc(C(N)=O)c1 386198 PTSCQBCRRBELGR-UHFFFAOYSA-N 296.373 1.672 0 50 CDAA COC(=O)c1ccccc1NC(=O)c1cc[n+]([O-])cc1 1464923 BSRLWEHVAZOCTO-UHFFFAOYSA-N 272.260 1.359 0 50 CDAA CCCN1Cc2nnc(-c3c(C)n[nH]c3C)n2[C@@H](C)C1=O 2356136476 WKVJSTAUJQCEQG-JTQLQIEISA-N 288.355 1.598 0 50 CDAA CCCCNC(=O)c1[nH]nnc1-c1ccccc1O 2490566 OSHRHGDFIRCWBN-UHFFFAOYSA-N 260.297 1.707 0 50 CDAA Cc1cc(-c2nnc3n2[C@@H](C)C(=O)N2CCC[C@H]32)n[nH]1 2356142760 GFYKNGMXXSCTDK-WCBMZHEXSA-N 272.312 1.215 0 50 CDAA C[n+]1cccc(C(=O)NCCOC(=O)c2ccccc2)c1 2880567 XFWWFMQJWDFYBW-UHFFFAOYSA-O 285.323 1.098 0 50 CDAA COC[C@@]12COC[C@@H]1CN(c1ncnc3ccsc13)C2 2356153187 VWBFTIZEMOGMKZ-HZMBPMFUSA-N 291.376 1.791 0 50 CDAA C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)O 3864519 XJILXAHMXXGCHL-PWFXGISBSA-N 251.326 1.792 0 50 CDAA Cc1c(CC(=O)N2CCCC2)c(=O)oc2cc(O)ccc12 4540631 BLGVCWHLRZOTFX-UHFFFAOYSA-N 287.315 1.972 0 50 CDAA COc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 4559421 OHLPYZWFDUHLNV-JTQLQIEISA-N 284.337 1.004 0 50 CDAA CC(C)(C)C(=O)NC(=S)N[C@H]1CCSC1=O 4834258 KCJXSUDSJKGINZ-LURJTMIESA-N 260.384 1.055 0 50 CDAA CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 4815709 SMFUGBNOPVSQME-LBPRGKRZSA-N 298.364 1.102 0 50 CDAA CCCN1C[C@@H](CN[C@H]2CCCSC2)CC1=O 421356226 WQZCLGSWYHXIIP-NEPJUHHUSA-N 256.415 1.730 0 50 CDAA CO[C@@H]1CCN(C(=O)c2cc(C)c(F)cc2F)[C@@H](CN)C1 136251458 LKXRCPRKUWTALT-GHMZBOCLSA-N 298.333 1.852 0 50 CDAA CCCCOC(=O)N1CCC2(CC1)CN(C)CCN2C 67805853 COVJCALTYGFXJL-UHFFFAOYSA-N 283.416 1.635 0 50 CDAA CCN(CC)[C@@H]1CCc2c(c(C(=O)NC)nn2CC)C1 20208924 KCBMWLSAUPEVMD-LLVKDONJSA-N 278.400 1.462 0 50 CDAA Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 20367149 FDKTWPDSEGJALZ-INIZCTEOSA-N 288.391 1.818 0 50 CDAA aggregator O=c1c(Br)ccc2n1C[C@@H]1CNC[C@H]2C1 13519529 DWDCLEHDNICBMI-JGVFFNPUSA-N 269.142 1.318 0 50 CDAA in-vitro Cc1ccc(C(=O)N2CCOC23CCN(C)CC3)cc1 28292581 AENCXTHHQUBMHF-UHFFFAOYSA-N 274.364 1.889 0 50 CDAA C[C@@H](c1ccccc1)[C@H]1CC(=O)N(CC(=O)O)C1=O 20482007 BYWYICLTMSHRNI-GXSJLCMTSA-N 261.277 1.250 0 50 CDAA CCCC(=O)C(=O)N(Cc1ccccn1)[C@@H](CC)CO 63882564 LUVAEVXMVWCHHF-ZDUSSCGKSA-N 278.352 1.550 0 50 CDAA OCCN(CCn1cc(Cl)cn1)Cc1ccco1 1506400189 IWRFQFUMNSHUQJ-UHFFFAOYSA-N 269.732 1.624 0 50 CDAA Cc1n[nH]c(Cn2nc(C)c3ccccc3c2=O)n1 65532661 ISLZVFLSTSDGRC-UHFFFAOYSA-N 255.281 1.180 0 50 CDAA CC[C@@H](CO)Nc1nc(C(F)(F)F)nc2[nH]cnc12 253398193 PVAAZDNYRBUEJP-YFKPBYRVSA-N 275.234 1.555 0 50 CDAA CC(C)C[C@H](C(=O)NCc1nc(O)n[nH]1)c1ccccc1 359277428 QZGFKVPRSIWHDH-LBPRGKRZSA-N 288.351 1.956 0 50 CDAA COC[C@H]1CN(Cc2cccc(OC)n2)CC(C)(C)O1 284426139 AASVNUQHWNGPES-CYBMUJFWSA-N 280.368 1.716 0 50 CDAA CN(Cc1nc(C2CC2)n[nH]1)C[C@@H]1CCc2nccn2C1 328621128 AGPIPJRGPBSDGV-NSHDSACASA-N 286.383 1.573 0 50 CDAA Cc1ccc(NCC2(N3CCOCC3)CCCC2)nn1 32560964 FLXOLSQIIYKDRG-UHFFFAOYSA-N 276.384 1.842 0 50 CDAA CCCCc1nc(-c2nccn2CC(N)=O)c(Cl)[nH]1 71415853 HCVSZKHLKIVFES-UHFFFAOYSA-N 281.747 1.755 0 50 CDAA COc1ccccc1CCC(=O)N1C[C@H](OC)C[C@H]1CO 284716842 CCKSIUXBMQBCFS-UONOGXRCSA-N 293.363 1.236 0 50 CDAA CCN1CCN(C(=O)COCc2cc(C)no2)[C@H](C)C1 329362181 HEMLWUURDXCIOV-GFCCVEGCSA-N 281.356 1.052 0 50 CDAA CC(C)N(Cc1cccnc1)C(=O)[C@@H]1CCN(C)C(=O)C1 330534985 PBNGFCSMENAZJG-CQSZACIVSA-N 289.379 1.687 0 50 CDAA CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@@H]1CNC(=O)C1 330734116 LESKDSVMQOWQJX-JTQLQIEISA-N 296.754 1.502 0 50 CDAA O=C(O)c1cccc(OCCN[C@@H]2CCCOC2)c1 236466579 PHFUOPRXXUWLKO-GFCCVEGCSA-N 265.309 1.532 0 50 CDAA O=C(N[C@H]1CCc2c[nH]nc2C1)[C@H]1CCOc2ccccc21 332911962 LIXYAGLIUAGOIL-JSGCOSHPSA-N 297.358 1.950 0 50 CDAA Cc1cnc(CCNC(=O)N2CCCCCC2)cn1 333074466 AWUMMXMPZUOVSO-UHFFFAOYSA-N 262.357 1.913 0 50 CDAA Cc1cc(N2CCN(c3ncccn3)CC2)n2nccc2n1 72148583 RVHWZWMKLOYKMM-UHFFFAOYSA-N 295.350 1.154 0 50 CDAA O=C(CCCc1ccccc1)N1CCC[C@](O)(CO)CC1 72120684 DZDFJMWKLMXKBN-QGZVFWFLSA-N 291.391 1.745 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)c1cccc(-n2ccnc2)c1 237626877 FSUVVGMIOJYYIJ-GXTWGEPZSA-N 284.363 1.824 0 50 CDAA COc1cccc2ncn([C@H](C)Cn3cccn3)c(=O)c12 32576332 YBPBDJBPCYLDAL-LLVKDONJSA-N 284.319 1.863 0 50 CDAA COCC[C@H](NC(=O)c1cc2ccc(C)cc2[nH]1)C(=O)O 262279547 IUALNKOLCMWACE-NSHDSACASA-N 290.319 1.696 0 50 CDAA Cc1c(C(=O)N2CCC[C@@H](N)C2)cnn1C(C)(C)C 157723630 VWKSXNKOPCPSIJ-LLVKDONJSA-N 264.373 1.510 0 50 CDAA Cc1cc(CN2C(=O)[C@H]3CCCCCN3C2=O)n(C)n1 376037243 NXDZHTFGHRBRNP-GFCCVEGCSA-N 276.340 1.435 0 50 CDAA O=C(O)CN1CCC[C@@H]1c1cccc2c1OCCO2 238155955 BQQRPLAKOCHSFF-LLVKDONJSA-N 263.293 1.679 0 50 CDAA O=C(c1cccc(-n2ccnn2)c1)N1CC([C@H]2CCOC2)C1 377067500 NHGCOLZRADRELV-ZDUSSCGKSA-N 298.346 1.376 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)Cc1ccccn1 215537646 AENGSCHFQIHUJT-UHFFFAOYSA-N 272.352 1.665 0 50 CDAA CN(C(=O)c1ccc(-c2cccs2)o1)[C@@H]1CCNC1=O 335987922 WHYQSSGUIDIIRW-SECBINFHSA-N 290.344 1.969 0 50 CDAA COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1nc(C)oc1C 452935385 XARANPMTEHABFT-LLVKDONJSA-N 282.340 1.951 0 50 CDAA O=S(=O)(c1cnn[nH]1)[C@@H]1CCc2c(Cl)cccc21 133437981 XJGRIMNWXIFDMT-SNVBAGLBSA-N 283.740 1.919 0 50 CDAA C[C@@H](CNC(=O)c1cnc[nH]c1=O)N(C)c1ccccc1 71752409 DHOKPZQEFPBOOQ-NSHDSACASA-N 286.335 1.025 0 50 CDAA CC(C)c1nc(CNC(=O)Cc2cnccn2)cs1 220598325 UJMIDUHVELQZDF-UHFFFAOYSA-N 276.365 1.915 0 50 CDAA COc1cccc(SCC(=O)NCCn2cccn2)c1 195244188 HFGBXUOPEDDVLF-UHFFFAOYSA-N 291.376 1.800 0 50 CDAA O=C(NC[C@H]1CCOC1)c1cnc2ccccc2n1 41373632 YVZUIZOEHPSPFM-SNVBAGLBSA-N 257.293 1.396 0 50 CDAA COCc1nc(-c2cccc(CN3CCOCC3)c2)n[nH]1 426387748 QYQZCIWRAWEMFM-UHFFFAOYSA-N 288.351 1.450 0 50 CDAA Cc1nn(C)c(C)c1CN(C)C(=O)C[C@H]1CCCOC1 426546261 VJLDNTOYFLSFSP-CYBMUJFWSA-N 279.384 1.812 0 50 CDAA Cc1nc(C(C)C)sc1C(=O)N1C[C@H](O)CO1 91536450 XSXUHMVVNDJPTQ-QMMMGPOBSA-N 256.327 1.323 0 50 CDAA CC(C)[C@H]1CN(Cc2ccco2)C[C@@H]1NS(C)(=O)=O 91677862 HZXWUADFFQQBRT-OLZOCXBDSA-N 286.397 1.285 0 50 CDAA O=C(C[C@@H]1CNCCO1)N1CCC[C@@H]1c1ccccc1 91299513 WMYVKKFCIFSXOQ-HUUCEWRRSA-N 274.364 1.729 0 50 CDAA O=C(NC[C@@H]1CCCOC1)c1cnc(-c2ccccn2)nc1 426535968 WHCJNACESXFXHM-LBPRGKRZSA-N 298.346 1.695 0 50 CDAA O=C(O)[C@@H]1CCN1C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 95374427 CHLINEPVZYEPMI-LBPRGKRZSA-N 287.275 1.081 0 50 CDAA COc1cc2c(=O)[nH]c(=O)[nH]c2cc1OCc1ccccc1 143599429 YXHRCWBYZRCCFE-UHFFFAOYSA-N 298.298 1.804 0 50 CDAA O=C(O)CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCOCC1 238068467 KHACDJBWUKQLEC-QWHCGFSZSA-N 281.352 1.515 0 50 CDAA Cc1ncnc(N2CCN(C[C@H]3CCOC3)CC2)c1C 97642285 PKBCVJNFRQQRLD-CQSZACIVSA-N 276.384 1.252 0 50 CDAA CCOc1ccc(C(=O)N2CC[C@@](C)(C(=O)O)C2)cn1 236902626 GJKUFSZABJJCMU-CQSZACIVSA-N 278.308 1.417 0 50 CDAA COc1cccc([C@H]2CCN2C(=O)Cn2cccnc2=O)c1 97743614 LLSYNIDGARDHNG-CQSZACIVSA-N 299.330 1.226 0 50 CDAA Cc1n[nH]c(C)c1-c1c[nH]c(C(=O)N2CCOCC2)c1 96137694 UXOKNOCPDWMPAJ-UHFFFAOYSA-N 274.324 1.494 0 50 CDAA CCOC(=O)c1cc(N)c(N)c(Br)c1 95496082 QAQXPVWOWDLLFT-UHFFFAOYSA-N 259.103 1.790 0 50 CDAA O=C(O)[C@H]1COCCN1C(=O)CCc1cc(F)ccc1F 268982512 NXWFOEQIRQAROK-GFCCVEGCSA-N 299.273 1.209 0 50 CDAA CCc1nc(N2CCC[C@](CO)(CCOC)C2)ncc1C 91321424 KTHCTGSCORSUTN-INIZCTEOSA-N 293.411 1.963 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 268907560 DLFCGFHYSQCJRQ-JHJVBQTASA-N 295.310 1.883 0 50 CDAA CSCc1noc(CN(C)[C@H](C)c2ccncn2)n1 244794531 QOOFXDQQENNKQS-SECBINFHSA-N 279.369 1.916 0 50 CDAA COCCS(=O)(=O)Nc1cc2cn[nH]c2cc1C 241435206 NLRXWDPDQGCAKE-UHFFFAOYSA-N 269.326 1.259 0 50 CDAA Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)O)cc1F 299753333 XVQHQIVWVWXUCB-UWVGGRQHSA-N 251.257 1.471 0 50 CDAA N#Cc1ccnc(N2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1 299741225 DXBLNHCEDMKZNP-RKDXNWHRSA-N 284.241 1.053 0 50 CDAA C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)O)c1cccc(F)c1 299753440 YGAHCGKWVQZWRR-BXKDBHETSA-N 281.283 1.241 0 50 CDAA N[C@@H](CC(F)F)C(=O)Nc1cnn(-c2ccccn2)c1 520819500 CEDHXEGXKSSXQO-VIFPVBQESA-N 281.266 1.188 0 50 CDAA C[C@@H](C(=O)NC1CCCC1)N1CC(c2ccccn2)C1 252486670 HOFZCWYWLGAXLQ-LBPRGKRZSA-N 273.380 1.928 0 50 CDAA CCc1ccc(C(=O)N[C@@H](c2ncnn2C)C(C)C)[nH]1 534582497 XQIPNHAOUVRSNA-GFCCVEGCSA-N 275.356 1.833 0 50 CDAA C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ncnn1C 276462037 LWQGTKPIHMVTGB-SNVBAGLBSA-N 270.336 1.795 0 50 CDAA Cc1ncsc1CCCNC(=O)[C@@H](N)C(C)(C)C 299764811 MEOLVIWQTHJUAX-LLVKDONJSA-N 269.414 1.874 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCCc1cn[nH]c1 584897289 HBXKTBOCOCNCBE-SECBINFHSA-N 275.356 1.950 0 50 CDAA Cc1nccn1C[C@@H](C)NCCc1nccs1 584891079 LBZQWKCQIUIRAR-SNVBAGLBSA-N 250.371 1.869 0 50 CDAA O=C(CN1CCCCCCC1)N1CC[C@H](CO)C1 584896723 ZAIZJCHOUZACQH-ZDUSSCGKSA-N 254.374 1.093 0 50 CDAA O=c1c2ccc(F)cc2ncn1C1CCS(=O)(=O)CC1 584899424 QRHMUJCGUSPBRU-UHFFFAOYSA-N 296.323 1.285 0 50 CDAA CO[C@@H]1CCN(C(=O)CCn2nc(C)cc2C)C1 584891033 ABKJCRZEQQYTRE-GFCCVEGCSA-N 251.330 1.137 0 50 CDAA CN1CC[C@@](C)(C(=O)NC2(C(N)=O)CCCCCC2)C1 670472792 UUHCUFPQWBUVQA-CQSZACIVSA-N 281.400 1.023 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)c1cccn1C1CC1 670444276 KQKDGUZGRFHAOV-UHFFFAOYSA-N 284.363 1.790 0 50 CDAA NC(=O)[C@@H]1COCCN1Cc1ccc(Cl)s1 271419374 QWLIGEIKCPVNQU-QMMMGPOBSA-N 260.746 1.088 0 50 CDAA C[C@@H]1NCCC[C@H]1c1ccc(NS(C)(=O)=O)cc1 757215125 VAGOQANJCNJSJX-GXFFZTMASA-N 268.382 1.914 0 50 CDAA COc1cccc(OCCN2CCC(=O)N3CCC[C@@H]23)c1 952995032 ATZZZHRPXAWEMR-HNNXBMFYSA-N 290.363 1.728 0 50 CDAA C[C@@H]1C[C@@]2(C(=O)Nc3[nH]nnc3-c3ccnn3C)C[C@@H]12 1875298177 QKKJEOLKEGDFAE-BFHDXFOESA-N 272.312 1.190 0 50 CDAA CCC(C)(C)c1nnc(N2CC(=O)N3CCC[C@H]3C2)o1 1875294838 OSSCOFTVKJLSPL-JTQLQIEISA-N 278.356 1.568 0 50 CDAA O=S(=O)(N[C@@H]1CC[C@@H]2C[C@@H]21)c1cnc2sccn12 1875290436 FNGCUZMOVOXDAK-HRDYMLBCSA-N 283.378 1.473 0 50 CDAA N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NCC1CCC1 1875277016 WKHMXSRCFWBNJG-HZPDHXFCSA-N 287.407 1.362 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@H]1OCCc2ccsc21 1875379886 YXRUWILJRMTICH-AAOUONPWSA-N 280.393 1.596 0 50 CDAA C[C@@H]1CCCN(C(=O)CCc2ccncc2)[C@@H]1CN 132766940 IAJHGDUHCRVDAW-TZMCWYRMSA-N 261.369 1.600 0 50 CDAA CCN1C[C@@]2(C[C@@H](O)[C@H](NCc3cc[nH]n3)C2)[C@H]1C(C)C 888098040 YFSFHKMEWRCXEX-KLHDSHLOSA-N 292.427 1.369 0 50 CDAA O=S1(=O)CC(C2CN(c3nc4ccc(F)cc4o3)C2)C1 894051795 SQOVOUFJOZUYOQ-UHFFFAOYSA-N 296.323 1.448 0 50 CDAA COCCCNC(=O)CN1CCS[C@H]2CCCC[C@H]21 245910220 VWAYERBHOGOFSH-OLZOCXBDSA-N 286.441 1.499 0 50 CDAA COc1cc(C)nc(N[C@H]2C[C@H](O)C23CCOCC3)n1 896718786 DLZFDETWCGPRQY-QWRGUYRKSA-N 279.340 1.136 0 50 CDAA CC(C)(C)OC(=O)N1CCC(C[C@H]2CC(=O)NC2=O)CC1 1775955418 RJNUJRDGMNQVGX-NSHDSACASA-N 296.367 1.686 0 50 CDAA Cc1noc(CNC(=O)C(F)(F)[C@H](O)c2ccccc2)n1 1775994406 IWUGGLFRSQQIAK-LLVKDONJSA-N 297.261 1.363 0 50 CDAA Cc1ccc(OCCCn2ncn3nccc3c2=O)cc1C 1775999142 QLZGIJLCQJWAIF-UHFFFAOYSA-N 298.346 1.977 0 50 CDAA CCC1(C(=O)NS(=O)(=O)c2sccc2C)COC1 802864222 ADAYDCOOCCYRBL-UHFFFAOYSA-N 289.378 1.288 0 50 CDAA Cc1cc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)ncn1 1413396919 WVGZDUHKZZRJQG-OAHLLOKOSA-N 296.374 1.442 0 50 CDAA O=C(NC1(CO)CCSCC1)c1ncoc1C1CC1 1363279609 VUOIQIZOUFJKHE-UHFFFAOYSA-N 282.365 1.540 0 50 CDAA C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnc2[nH]cnc2c1 677910481 BPDYKGLAIMQJEX-NOZJJQNGSA-N 285.351 1.170 0 50 CDAA C/C(=C\C(=O)N=c1ccn(CC(=O)O)[nH]1)C(C)(C)C 584908067 RGFVTAALUHDXIT-VQHVLOKHSA-N 265.313 1.321 0 50 CDAA OC[C@]1(O)CCCN(Cc2ccccc2C2CC2)C1 585087139 JSZRMEWMSXZHDO-INIZCTEOSA-N 261.365 1.883 0 50 CDAA O=C(N[C@H]1COc2cc(F)cc(F)c21)N1CCC[C@@H](O)C1 170075995 JRXKALFKLHSMBA-KOLCDFICSA-N 298.289 1.565 0 50 CDAA C[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H]1CNC(=O)N1C 585132298 SOVLIUMXHLZOGN-HONMWMINSA-N 287.363 1.450 0 50 CDAA COC(=O)[C@]12CCC[C@@H]1CN(Cc1cccc(OC)n1)C2 170593898 NGYJVAZVPYNAOX-WBMJQRKESA-N 290.363 1.865 0 50 CDAA O=C1[C@H](N2CC(c3nc4ccccc4[nH]3)C2)CCN1C1CC1 170671569 DEKRNTLDZCFXCY-OAHLLOKOSA-N 296.374 1.725 0 50 CDAA CN1CCN(CCCN(C)Cc2cnccc2Cl)CC1 170616886 OGMVCOWWMLHFPH-UHFFFAOYSA-N 296.846 1.804 0 50 CDAA Cc1nc2c(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)cccc2o1 281377085 ZINKYSOFOCNOEI-TXEJJXNPSA-N 285.347 1.770 0 50 CDAA Cc1ocnc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C 188788922 YIPZTMGLMMWPSI-VIFPVBQESA-N 289.339 1.915 0 50 CDAA C[C@@H](NC[C@]1(O)CCC[C@H]1C)C(C)(C)n1cncn1 639210012 GJIPXWOIGKXIKM-YRGRVCCFSA-N 266.389 1.542 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)C12CCC2 408520041 RDKTWEZQYDGTSP-GRYCIOLGSA-N 253.342 1.487 0 50 CDAA CCN(CC)[C@H]1CCN(c2ccnc(C(=O)N(C)C)c2)C1 742425415 DTVOGLGFDDRLEA-AWEZNQCLSA-N 290.411 1.704 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 225736427 WNOPIEBUJGYUMQ-CVEARBPZSA-N 297.358 1.761 0 50 CDAA CC(C)Oc1nccnc1N1CCC[C@@](C)(C(=O)O)C1 565039764 DDNGQTRGDZXUKI-CQSZACIVSA-N 279.340 1.955 0 50 CDAA CC(=O)N[C@@H]1CCCN([C@H](CC(C)C)C(=O)O)C1 652389867 KMOLITRUBSCZCG-VXGBXAGGSA-N 256.346 1.086 0 50 CDAA Cc1nccc(C(=O)N2CCN3CCCC[C@H]3C2)n1 195053579 WGCOUNBRKYNYSV-LBPRGKRZSA-N 260.341 1.095 0 50 CDAA CNC[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 195123751 QWJQJAHEQSEDQP-LBPRGKRZSA-N 284.363 1.701 0 50 CDAA N[C@@H]1CCC[C@H]1CC(=O)Nc1ccc2c(=O)[nH]ccc2c1 662634722 IJOTTYVATGDNJZ-SMDDNHRTSA-N 285.347 1.984 0 50 CDAA Cc1cccc(C(=O)N2CC[C@H](c3nn[nH]n3)C2)c1 720626924 GNMMGYDFKAATAX-NSHDSACASA-N 257.297 1.138 0 50 CDAA CN(C)c1nccc(N2CCC[C@H](c3ccnn3C)C2)n1 577329116 OMYZRHRGVUSVPY-LBPRGKRZSA-N 286.383 1.660 0 50 CDAA Cn1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 581955491 NVHSJEJIAPKLKP-KFWWJZLASA-N 291.395 1.505 0 50 CDAA CC[C@](C)(CC(=O)O)NC(=O)c1cccc2c1OCO2 767052209 QGVKLPDZEGTOOP-CQSZACIVSA-N 279.292 1.789 0 50 CDAA CCc1nc(N2CCN(C(C)C)[C@@H](CC)C2)no1 1506416462 BOFRHUONMWYMCA-NSHDSACASA-N 252.362 1.941 0 50 CDAA CC[C@H]1C=CCN1C(=O)c1nc(N)nc2c1CCCC2 1506431786 ZDWMKOMMBKHGMR-JTQLQIEISA-N 272.352 1.728 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccncc1Cl)C2 1875249585 FXCVFZZDWIDGMS-YPMHNXCESA-N 281.787 1.497 0 50 CDAA Cc1nc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC2CC2)no1 216426188 DEQDXYKOEDEJQT-OLZOCXBDSA-N 290.367 1.211 0 50 CDAA COCC1(CN[C@H]2CCCCC[C@H]2N)CCOCC1 332286439 GVPMBAQVZBOCLX-KGLIPLIRSA-N 270.417 1.679 0 50 CDAA COC1([C@@H](C)NC(=O)c2cc(C)sn2)CCOCC1 333786484 VLVITIDPTQIMSN-SNVBAGLBSA-N 284.381 1.765 0 50 CDAA Cn1ncc(C(F)(F)F)c1CNc1ncccn1 656770500 DLLZDYOQIMZUGB-UHFFFAOYSA-N 257.219 1.841 0 50 CDAA Cc1ccc(C(=O)N[C@H](CC(=O)O)C(F)(F)F)o1 829372731 XTUBNMGZZBSWNG-SSDOTTSWSA-N 265.187 1.723 0 50 CDAA CN1CCN(C(=O)c2ccc3scnc3c2)CC1=O 19839287 NOQFJFNSHPJHOI-UHFFFAOYSA-N 275.333 1.211 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cn[nH]c1)C2 1704338132 MKSUEBORUYBKFS-TZMCWYRMSA-N 263.341 1.831 0 50 CDAA CC(C)(NC(=O)NC[C@]1(C)CCCO1)[C@@H](O)C(F)(F)F 1615055456 BSTOCQYNMHFGKZ-KCJUWKMLSA-N 298.305 1.557 0 50 CDAA CCOC(=O)Cc1csc(NC(=O)c2cccnc2)n1 1053648 MJAFZUHLPOPCIA-UHFFFAOYSA-N 291.332 1.896 0 50 CDAA COC(=O)[C@@H](O)CCNc1nc(C)cc(C(F)(F)F)n1 1615614759 KAEATJGOTSOYCR-ZETCQYMHSA-N 293.245 1.140 0 50 CDAA O=C(N1CCCCCC1)C1([C@@]2(O)CCCNC2)CCC1 1616035968 KEOJTFTWXIGLNC-MRXNPFEDSA-N 280.412 1.674 0 50 CDAA COC1(CN2CCN(C(C)=O)CC2)CCCCCC1 1616034738 SUGLHHGLTBMUQP-UHFFFAOYSA-N 268.401 1.890 0 50 CDAA c1ccc(-n2[nH]nnc2=N[C@H]2CCCN3CCC[C@@H]23)cc1 1775977566 JZFVAVOAGBRPTI-KBPBESRZSA-N 284.367 1.123 0 50 CDAA Cc1c(C(=O)N[C@H](C(N)=O)C(C)(C)C)ccc2cncn12 1645666473 GDLMQLSSAIBDTD-GFCCVEGCSA-N 288.351 1.273 0 50 CDAA C[C@]12C[C@@H]1CN(S(=O)(=O)c1cnc3ccccn13)C2 1772813023 SZAUKTWTSPGKRS-ZWNOBZJWSA-N 277.349 1.365 0 50 CDAA COCCCNc1nc2nonc2nc1NC1CCC1 14959737 QXEWMKYSSZNDOX-UHFFFAOYSA-N 278.316 1.426 0 50 CDAA Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](C)O)c1C 16649277 HTLJJDFGOWUEDP-JTQLQIEISA-N 271.382 1.579 0 50 CDAA CCCc1c(O)nc(SCCN(C)C)[nH]c1=O 19788662 UAIPGPPFAXYKTG-UHFFFAOYSA-N 257.359 1.082 0 50 CDAA OCCOc1ccccc1-c1nnc2ccccn12 19792245 MLWIXMACOGLKSG-UHFFFAOYSA-N 255.277 1.767 0 50 CDAA COc1ccccc1-n1ccc2c(cnc3ncnn32)c1=O 19959332 ZCFLJXAIFCAULQ-UHFFFAOYSA-N 293.286 1.437 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]([C@@H]2CCOC2)C1 160749223 APOLPHXZVLQZNU-WOPDTQHZSA-N 271.357 1.641 0 50 CDAA N=c1[nH]nc(N2CC[C@@H](Oc3ccccc3)C2)s1 1857675305 RZFKEZOOVYFGJX-SNVBAGLBSA-N 262.338 1.608 0 50 CDAA C[C@@H]1CON(C(=O)c2ccc3cccnc3c2O)C1 1857684030 WIYMBHXHOWIBMY-VIFPVBQESA-N 258.277 1.964 0 50 CDAA Cc1ccc2nc[nH]c(=NCCn3nc(C)cc3C)c2n1 1857679917 AIKIUOWRJJPHGL-UHFFFAOYSA-N 282.351 1.681 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1cccnc1N(C)C 408474610 HELRNBXPLLVZDN-UONOGXRCSA-N 291.395 1.969 0 50 CDAA Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1Cl 4498338 HKBCPCGIPFRSFB-LLVKDONJSA-N 296.754 1.882 0 50 CDAA O=C(O)C[C@H](NC(=O)[C@@H]1CCCCO1)c1cccs1 127914579 ZVOMXVWELMPRIK-UWVGGRQHSA-N 283.349 1.949 0 50 CDAA CC[C@H](NC1CCC(NC(C)=O)CC1)[C@@H]1CCCO1 133667404 XYHPBYKTNMMLEK-WUCCLRPBSA-N 268.401 1.981 0 50 CDAA COc1ccc(CNC(=O)[C@H](C(=O)O)C(C)C)c(OC)c1 565044288 RMNWUMBSHJOLFJ-CYBMUJFWSA-N 295.335 1.677 0 50 CDAA CN1C[C@@H](CCNC(=O)Nc2ccccn2)CC1=O 902884939 PZWXKPHNMIHLDQ-JTQLQIEISA-N 262.313 1.072 0 50 CDAA Cc1ccc(F)c(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)c1F 903409001 PMIZPUGGZKDNAI-MEBBXXQBSA-N 297.301 1.806 0 50 CDAA O=C1N[C@@H]2COC[C@H]1CN(Cc1ccc(Cl)cc1)C2 1704325628 KPUKMARPUSTDGT-YPMHNXCESA-N 280.755 1.287 0 50 CDAA O=C(N1CCCCCC1)[C@]12CNC[C@H]1CCOC2 911892233 TYHGAUSLLJKENN-OCCSQVGLSA-N 252.358 1.015 0 50 CDAA C=CC(=O)N1CCC(c2cc(C(=O)O)on2)CC1 1857777910 MHZZWRXLXKPYSY-UHFFFAOYSA-N 250.254 1.265 0 50 CDAA COc1ccccc1CCC(=O)NC1(C(=O)O)CC1 203654993 VPLAXXULEZNJBN-UHFFFAOYSA-N 263.293 1.361 0 50 CDAA CN1CCN(C)[C@@H](CNc2ccnc3ccccc23)C1 225344492 UJAGGMFMHAYPFX-ZDUSSCGKSA-N 270.380 1.893 0 50 CDAA CC[C@@H]1CN(C(=O)[C@H](CN)c2ccccc2)C[C@@H](C)O1 236954779 SOAQWOOXMRAHPK-BPLDGKMQSA-N 276.380 1.755 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H]2CCCNC2)c(F)c1 237752385 LYLFHKKGGSQREX-SNVBAGLBSA-N 272.345 1.164 0 50 CDAA Cc1ccc(C)c(OCC(=O)N[C@H]2C[C@@H](C(=O)O)C2)c1 263358279 XRPXELFGQYSJPD-TXEJJXNPSA-N 277.320 1.662 0 50 CDAA Cc1cnc(C)c(NCC2(CO)CCOCC2)n1 184138557 UMCKNXQBUJOPHZ-UHFFFAOYSA-N 251.330 1.294 0 50 CDAA O=C(c1c[nH]c(=O)cn1)N1CCC[C@H]1c1ccccn1 72436549 FLTUOWUDAUEWQV-LBPRGKRZSA-N 270.292 1.142 0 50 CDAA CC(C)N1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)O)C2)CC1 426685211 AWPVKKGSGDEXPF-QWHCGFSZSA-N 282.384 1.430 0 50 CDAA Cc1cc(C(=O)N[C@H](C(=O)O)C2CCC2)c(C)o1 399086008 UUSMQJMBWLUFDV-NSHDSACASA-N 251.282 1.880 0 50 CDAA Cn1nc(C(=O)NCc2ccco2)c2ccccc2c1=O 2623167 ITAGEYDMPAVQIL-UHFFFAOYSA-N 283.287 1.457 0 50 CDAA Cc1ccc([C@@H](O)CNC[C@@H](O)c2ccco2)cc1 2325730812 HRUPYRQGYVIWIO-UONOGXRCSA-N 261.321 1.945 0 50 CDAA CNCCCC(=O)NCc1nc2c(s1)C[C@H](C)CC2 2325775008 QSETZAAOJWLCBJ-SNVBAGLBSA-N 281.425 1.884 0 50 CDAA CCc1nnc(NC(=O)[C@H]2CCCc3c2ncn3C)s1 2325779601 RFRYBLFUBHTSQI-QMMMGPOBSA-N 291.380 1.893 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2C(=O)O 2325808235 HZNLHZKOEQIZCW-MJDLHHQISA-N 267.325 1.266 0 50 CDAA CC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 30070 IHBQVETZJLSNMH-UHFFFAOYSA-N 269.304 1.970 0 50 CDAA O=C(COc1ccc2ccccc2c1)Nn1cnnc1 327238 QDAOBDLLGFXGBK-UHFFFAOYSA-N 268.276 1.580 0 50 CDAA CCOC(=O)Cn1c(C)cc(=O)c2cccc(OC)c21 468881 KJLIDVIGOGVICU-UHFFFAOYSA-N 275.304 1.882 0 50 CDAA biogenic Cc1nc2ccnn2c(NCCn2ccnn2)c1C 2356148848 WEKGHHVWNSCHJI-UHFFFAOYSA-N 257.301 1.050 0 50 CDAA c1ccc(NCCc2nnc3n2CCOCC3)cc1 2356165918 QXCPLBHKMFCADA-UHFFFAOYSA-N 258.325 1.505 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)O)c1 3888192 FDWQMZGFHPGMPJ-UHFFFAOYSA-N 271.338 1.724 0 50 CDAA O=C(NCc1ccccn1)c1cnc2sccn2c1=O 3958550 HIHBOMMUJUMDEB-UHFFFAOYSA-N 286.316 1.081 0 50 CDAA CC[C@@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C 4956527 IVIUPERSNKAMOC-NSHDSACASA-N 282.321 1.682 0 50 CDAA C[C@H](O)[C@H](C)NC(=O)C(=O)c1ccc(Cl)s1 346525788 TWTSXUCMPCRHEC-WDSKDSINSA-N 261.730 1.470 0 50 CDAA CCc1noc(C)c1C(=O)N(C)C[C@]1(C)CCN(C)C1 67975006 ZXSQTHVLMWAYOO-OAHLLOKOSA-N 279.384 1.959 0 50 CDAA CC(C)c1cc(C(=O)N2CCCCO2)nc(N)n1 20256801 IULQTXRWKMDLAI-UHFFFAOYSA-N 250.302 1.350 0 50 CDAA C[C@H](CCn1cccn1)NC(=O)CN1CCCCCC1 65435345 PYHAUFRVZHMOSE-CQSZACIVSA-N 278.400 1.654 0 50 CDAA COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)ccc1F 119413657 QLZQXFSIUOUACD-JQWIXIFHSA-N 294.326 1.608 0 50 CDAA CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2)cc1 66323498 YIUPUTILHKMYEB-ZDUSSCGKSA-N 262.353 1.956 0 50 CDAA C[C@H](NC(=O)C[C@H]1CCCN1)[C@H](O)Cc1ccccc1 423905847 PQTFSSJJGCRIHW-NWANDNLSSA-N 276.380 1.237 0 50 CDAA CC(C)NC(=O)CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 230041961 IVSRXQUZNNTSHP-SRVKXCTJSA-N 268.357 1.229 0 50 CDAA O=C(N[C@@H]1COCc2ccccc21)c1cnn2c1CCC2 333379632 WBHWSEMZSZKKSK-CQSZACIVSA-N 283.331 1.831 0 50 CDAA COc1ccccc1-n1cc([C@H]2NCCc3[nH]cnc32)cn1 67649790 QEPNVIQBFQSOIU-OAHLLOKOSA-N 295.346 1.839 0 50 CDAA C=CC(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1 328599200 QMPIRUYSYHLMAK-VIFPVBQESA-N 251.286 1.279 0 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NCWQSDZBDURHRP-NSHDSACASA-N 280.299 1.814 0 50 CDAA O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ocnc1C1CC1 368050284 FFAGGDZVHNQBKI-GFCCVEGCSA-N 291.351 1.145 0 50 CDAA Cc1oncc1NS(=O)(=O)c1cnn(C2CCC2)c1 901907452 NHPKSRYIQZKQET-UHFFFAOYSA-N 282.325 1.705 0 50 CDAA O=C(NOC[C@@H]1CCOC1)[C@@H]1CCc2cccnc21 819935031 PGMPRAAQWOKYKQ-ZYHUDNBSSA-N 262.309 1.196 0 50 CDAA CC1(c2ccccc2C(=O)NCc2nc(C(N)=O)co2)CC1 824818788 HVCNVFMRVDMDAK-UHFFFAOYSA-N 299.330 1.755 0 50 CDAA CNC(=O)NC[C@@H]1CCCCN1Cc1cnc(C)o1 931477059 RCFHSJMABOFSBZ-NSHDSACASA-N 266.345 1.267 0 50 CDAA c1ccc2[nH]c(CN3CCN4CCC[C@H]4C3)nc2c1 225328311 UXYBQSIVLQHLRD-LBPRGKRZSA-N 256.353 1.843 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)Cc1ccc(O)cc1 263523709 SHDMAEMGYROCMU-ZYHUDNBSSA-N 277.320 1.646 0 50 CDAA CCOc1ccnc(NC2CCC(C(N)=O)CC2)n1 164507365 XGTGSBXMMNWRCD-UHFFFAOYSA-N 264.329 1.331 0 50 CDAA CCN(C(=O)c1ccc2cc[nH]c2c1)[C@@H]1CCNC1=O 282566967 ARQYYKHHTBKKCC-CYBMUJFWSA-N 271.320 1.519 0 50 CDAA O=C(N[C@@H]1CCCn2ncnc21)c1ccc(F)cn1 183051263 PLDAFDZLXFQLNF-SECBINFHSA-N 261.260 1.077 0 50 CDAA COC1(CO)CCN(C(=O)Cc2ccc(Cl)cc2)CC1 401730400 UBKLOICRUVXNOQ-UHFFFAOYSA-N 297.782 1.882 0 50 CDAA OC[C@@H]1CCC[C@H](NC2CSCCSC2)C1 670462906 MOSREXCTPQAFDG-MNOVXSKESA-N 261.456 1.976 0 50 CDAA Cc1cccc(C(=O)NC[C@@H](CC2CC2)C(=O)O)n1 405515093 UKSFJXRRSQMNNI-LLVKDONJSA-N 262.309 1.621 0 50 CDAA CN(C[C@@H]1CCCN1C)C(=O)c1ccc2nn[nH]c2c1 332090122 AYQQAOJRSSNZGT-NSHDSACASA-N 273.340 1.124 0 50 CDAA O=C(NC[C@]1(C(=O)O)CCCOC1)c1cccs1 630335111 LZAMNEOEIYSNQS-GFCCVEGCSA-N 269.322 1.359 0 50 CDAA CC(C)Nc1nc(Cl)nc(NC(C)(C)CO)n1 50762 AHEYCVAPTNALHL-UHFFFAOYSA-N 259.741 1.528 0 50 CDAA CC1(C)C[C@H](CC(=O)NCc2cncc3c2CCC3)CN1 2325789406 NYRFTMGIMFGDIA-LBPRGKRZSA-N 287.407 1.965 0 50 CDAA O=C(N[C@@H]1CCc2cc(O)ccc2C1)[C@@H]1C2CCN1CC2 2325811201 AMPBYMQXYHZOBF-ZBFHGGJFSA-N 286.375 1.460 0 50 CDAA Cc1c(C(=O)Nc2ccccc2C(N)=O)cnn1C 999991 ICCQNPAKYJJSCS-UHFFFAOYSA-N 258.281 1.080 0 50 CDAA Cc1sc2ncnc(SCC(N)=O)c2c1C 98998 JTVCTWHVKVPHOZ-UHFFFAOYSA-N 253.352 1.886 0 50 CDAA O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 166205 JXMXHRZHMZMBDK-JTQLQIEISA-N 289.740 1.578 0 50 CDAA C[C@H](C(=O)NCc1ccco1)N1C(=O)c2ccccc2C1=O 187183 LUKUGXDFGYOUIB-SNVBAGLBSA-N 298.298 1.581 0 50 CDAA Cc1cc(S(=O)(=O)NCC(=O)O)ccc1Cl 216020 ZIKGRYCSIUIETK-UHFFFAOYSA-N 263.702 1.011 0 50 CDAA CCOC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O 259925 CKVHJJWMNSGPNV-UHFFFAOYSA-N 272.304 1.782 0 50 CDAA CC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CO)n1 295803 DDDRTIISVBPPPJ-UHFFFAOYSA-N 273.768 1.918 0 50 CDAA COC(=O)C1CCN(C(=O)C2CCCCC2)CC1 303978 OJLQUGBQWUBQHC-UHFFFAOYSA-N 253.342 1.978 0 50 CDAA CC(=O)c1ccccc1OC[C@@H](O)Cn1ccnc1 1077114 IKEGDOHZCUFTKW-LBPRGKRZSA-N 260.293 1.526 0 50 CDAA O=C(c1cccc(O)n1)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356134722 ZDHHWSIOCQAIRB-DZGCQCFKSA-N 298.342 1.778 0 50 CDAA CNC(=O)c1ccc(-c2cc(OC)c(C)[nH]c2=N)cc1 2356151566 NOIXIRLMJDNXQT-UHFFFAOYSA-N 271.320 1.838 0 50 CDAA O=C(CCSCCC(=O)N1CCCC1)N1CCCC1 2757229 ZFTYQCACVIHXJZ-UHFFFAOYSA-N 284.425 1.745 0 50 CDAA O=C(O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3346472 DMFPEEFRMXLMLJ-UHFFFAOYSA-N 255.579 1.605 0 50 CDAA CN(C(=O)CSc1nncn1C)c1ccccc1 3620310 CVKJWDWOIBICQJ-UHFFFAOYSA-N 262.338 1.570 0 50 CDAA CNC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 4433255 YMXXXBSTROESNP-UHFFFAOYSA-N 275.308 1.814 0 50 CDAA CN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O 4759047 RYMXBZRZTLPWAY-UHFFFAOYSA-N 281.271 1.560 0 50 CDAA O=C1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1 6948422 XCCYNFNWKCGRRA-UHFFFAOYSA-N 280.349 1.356 0 50 CDAA CC(=O)n1nc(C)c(S(=O)(=O)N2CCCCC2)c1C 8768912 QUKQYOLYHXCVNO-UHFFFAOYSA-N 285.369 1.335 0 50 CDAA O=C(CN1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)NC1CCCC1 227218980 IDJBXICUPBBSFP-XBFCOCLRSA-N 294.395 1.763 0 50 CDAA Cc1nnc(SCCNC[C@H]2CCOC2)s1 53622898 VCPUYNGPLPZIPV-SECBINFHSA-N 259.400 1.565 0 50 CDAA OC1[C@H]2CCC[C@H]1CN(c1ncc(Br)cn1)C2 241816030 SEXYMCXTXOIWGK-IUCAKERBSA-N 298.184 1.836 0 50 CDAA O=C(c1ccc[nH]c1=O)N1CC(c2nc3ccccc3[nH]2)C1 56923938 MHICUHLRVAOIIV-UHFFFAOYSA-N 294.314 1.491 0 50 CDAA COC(=O)/C=C(/Nc1ccccc1C(C)=O)C(=O)OC 100968028 IUYVVICWLQEEAW-XYOKQWHBSA-N 277.276 1.531 0 50 CDAA Cn1ncc2[nH]c(-c3ccc(-n4cncn4)cc3)nc21 20783289 WXJIKFRSUWJXDO-UHFFFAOYSA-N 265.280 1.544 0 50 CDAA Cc1c(NC(=O)CN2CCC[C@H]2c2cccnc2)cnn1C 1506403150 WLISPXULVUJHAE-HNNXBMFYSA-N 299.378 1.899 0 50 CDAA CCN(CCC(=O)O)C(=O)c1ccc2c(c1)CCC(=O)N2 137949857 IUHXEWCAOJHMMR-UHFFFAOYSA-N 290.319 1.508 0 50 CDAA CN1CCN(C[C@H]2Cn3c(cc4occc43)C(=O)O2)CC1 22028426 DZFYXJYAKFHASE-NSHDSACASA-N 289.335 1.021 0 50 CDAA COC(=O)/C=C(\C)N[C@@H](C(=O)O)c1ccc(O)cc1 26891836 VXLHFWHJVCLKPT-ABZNLYFFSA-N 265.265 1.184 0 50 CDAA in-vitro Cc1ccc(N2C[C@@H](Nc3cc(N)ncn3)CC2=O)cc1 1506420352 DKSQPCSFKOASOE-NSHDSACASA-N 283.335 1.585 0 50 CDAA CO[C@@H]1C[C@@H](NC(=O)c2cnc(C)nc2C)C12CCC2 521825146 BRRSLJNLJBMNOF-CHWSQXEVSA-N 275.352 1.781 0 50 CDAA CN(C)C(=O)c1ccc(NC[C@@H](O)c2ccccc2)nc1 32511602 UDEALUINJMIMQW-CQSZACIVSA-N 285.347 1.929 0 50 CDAA Cn1nc([C@H]2CCCN2Cc2nccs2)nc1N 284288678 NTZPYBJFJXYCLN-MRVPVSSYSA-N 264.358 1.191 0 50 CDAA CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1COCCN1 236712359 QBFIVMOCZBWJMR-CQSZACIVSA-N 288.391 1.862 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)Cc1cccc(F)c1 124794776 KUPIMUMTGLKBIB-MFKMUULPSA-N 250.317 1.706 0 50 CDAA CN(Cc1cscn1)C(=O)[C@@H]1CC12CCNCC2 70255794 LIPWYUHYIKLKAA-NSHDSACASA-N 265.382 1.491 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C)N[C@H](C)C2)ccc1-n1cncn1 154270965 SINVITHPOWNMBA-BETUJISGSA-N 299.378 1.398 0 50 CDAA Cc1cc(N2CCC[C@H](NCc3ncc[nH]3)C2)n(C)n1 364797867 RBSTVCAYGSVMKQ-LBPRGKRZSA-N 274.372 1.210 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 331588898 GGQPMNIIFDFOLS-NSHDSACASA-N 284.381 1.362 0 50 CDAA c1cc(CN2CCC[C@@H]2Cn2cncn2)n2ccnc2c1 371423908 FIOADLYRDSTBKK-CYBMUJFWSA-N 282.351 1.590 0 50 CDAA CO[C@H](C)C(=O)N1CCN[C@@H](c2cccc(Cl)c2)C1 334199674 MRYIKNZMXUZQFF-ZWNOBZJWSA-N 282.771 1.848 0 50 CDAA C[C@@H](Oc1ccc(CN2CC(O)C2)cc1Cl)C(=O)O 216306659 TWRRIFNLCRDALY-MRVPVSSYSA-N 285.727 1.368 0 50 CDAA O=C(c1ccc(O)nc1)N1CCC[C@@H]2CNCCC[C@H]21 373564929 WNEBAYLXNOLPBF-DGCLKSJQSA-N 275.352 1.391 0 50 CDAA Cc1c(CN2CCN3CCN(C)C[C@@H]3C2)[nH]c2ccccc12 215008176 WGDLXMRJUIWEJG-OAHLLOKOSA-N 298.434 1.908 0 50 CDAA Cc1ccnc(N2CCN(C(=O)NC3CC3)CC2)c1 335824322 ORCRPUQXOMVSTG-UHFFFAOYSA-N 260.341 1.384 0 50 CDAA COc1cccc([C@@](C)(CC(=O)O)NC(=O)C2CC2)c1 263177561 LISNZZAFQDGKNQ-OAHLLOKOSA-N 277.320 1.911 0 50 CDAA CN1CCN(Cc2nc3cc(C(=O)O)ccc3o2)CC1 77055484 SRLTXWHDOCKERP-UHFFFAOYSA-N 275.308 1.273 0 50 CDAA CC[C@@H](NC(=O)c1sc(CC2CC2)nc1C)C(=O)NC 457043366 IGTZUJVIEPPHOY-SNVBAGLBSA-N 295.408 1.658 0 50 CDAA COc1cc(S(=O)(=O)NCCCO)ccc1Cl 41095919 UKMOQAYDLLYIPB-UHFFFAOYSA-N 279.745 1.009 0 50 CDAA C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@](C)(O)C(=O)O 263385528 COAGVCKKCXQZGC-XPTSAGLGSA-N 299.754 1.470 0 50 CDAA CCc1nnsc1C(=O)N[C@@H](C)c1cn[nH]c1 229965738 HCJOGUILNVUUAZ-LURJTMIESA-N 251.315 1.315 0 50 CDAA Cc1ccccc1CCNC(=O)N[C@H]1CC12CCNCC2 612964767 TUOMCPRCGXETMD-HNNXBMFYSA-N 287.407 1.979 0 50 CDAA O=C(NCCOc1cccc2cccnc12)[C@H]1CCCO1 223154279 QRFQTUFMNAZBSV-CQSZACIVSA-N 286.331 1.909 0 50 CDAA CC(C)[C@H](NC(=O)c1ccccc1-n1cncn1)C(=O)O 426705861 RXIASCZRMTZGMA-LBPRGKRZSA-N 288.307 1.106 0 50 CDAA CN(Cc1nccs1)C(=O)[C@H]1CCc2nnn(C)c2C1 290474251 ZHNPEWWJGPCRAT-VIFPVBQESA-N 291.380 1.035 0 50 CDAA O=C(Cn1ccc([C@H]2CCCNC2)n1)NCc1ccccn1 426379705 KNNOWCCMWCRDGL-ZDUSSCGKSA-N 299.378 1.062 0 50 CDAA C[C@H](CC(=O)N1CCC(C(=O)O)CC1)N1CCCCCC1 426361278 LUCYRMXYIGAXJT-CYBMUJFWSA-N 296.411 1.964 0 50 CDAA Cc1nonc1OCCNC(=O)[C@@H]1CC12CCCCC2 426410510 LSUWQNBUYRXNLE-NSHDSACASA-N 279.340 1.843 0 50 CDAA COc1csc(C(=O)N2CCO[C@H](CC(=O)O)C2)c1 161414674 VGSQMNQSIPTWMW-MRVPVSSYSA-N 285.321 1.072 0 50 CDAA c1cc2c(cc1CN1CCC3(CC1)CNCCO3)CCO2 426677973 IISMCFGYXCIDJJ-UHFFFAOYSA-N 288.391 1.576 0 50 CDAA N=c1[nH]nc(CNC(=O)[C@H]2CC23CCCCC3)s1 426472973 RDHMJIGRCHUSNA-MRVPVSSYSA-N 266.370 1.537 0 50 CDAA CC(C)c1nc(CN(C)C[C@H]2COCCO2)co1 97823071 YCIZRJCTRAGUIS-LBPRGKRZSA-N 254.330 1.645 0 50 CDAA Cc1ccc(C(=O)O)c(N2CCC[C@H](N(C)C)C2)n1 91429229 QBTSETRUWYCQON-NSHDSACASA-N 263.341 1.619 0 50 CDAA c1cc(CN2CC[C@H]3CC[C@@H](C2)N3)c2nonc2c1 97694638 CPGCIICOJZYMIW-NEPJUHHUSA-N 258.325 1.549 0 50 CDAA CCN(Cc1ccc(C)o1)C(=O)[C@@H]1CCS(=O)(=O)C1 97694785 QDYSYRWJKWNQMJ-LLVKDONJSA-N 285.365 1.371 0 50 CDAA CN(C)CC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1 95389175 IWRVQWPDJIAFPF-HNNXBMFYSA-N 276.380 1.132 0 50 CDAA COc1cccc(C)c1C(=O)N1C[C@@H](C)[C@@](C)(O)C1 91663379 PMBYOUHMOFIOLQ-ABAIWWIYSA-N 263.337 1.847 0 50 CDAA COCc1nc(C)cc(N2CC[C@@H](O)CC(C)(C)C2)n1 295911716 FUDTUZGQGSUXOM-GFCCVEGCSA-N 279.384 1.919 0 50 CDAA CCn1nc(-c2ccc3c(c2)OCO3)nc1N(C)C 96136290 SRIKCOMZYGMIHR-UHFFFAOYSA-N 260.297 1.760 0 50 CDAA Cc1cnc(CNC(=O)CCc2c(C)noc2C)cn1 97522805 HWRDTOMSVOYHQO-UHFFFAOYSA-N 274.324 1.639 0 50 CDAA CO[C@@H]1CCC[C@H]1CNC(=O)CCn1ccnc1 332321153 MDYFYEGNCXLXJA-NWDGAFQWSA-N 251.330 1.205 0 50 CDAA Cc1nc(-c2ccc(NC(=O)c3cncn3C)cc2)n[nH]1 431773112 OBYFSXAYICXKJU-UHFFFAOYSA-N 282.307 1.766 0 50 CDAA Cn1nnc2cc(C(=O)NC[C@@H]3Cc4ccccc43)cnc21 182728340 SKRGFXXIWBLPHK-NSHDSACASA-N 293.330 1.433 0 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CDAA Cc1ccccc1N1CCC(N[C@@H]2CCCNC2=O)CC1 584896276 GZTGZLRHGHOTJV-OAHLLOKOSA-N 287.407 1.832 0 50 CDAA COc1cccc2ncn(CC[C@@H](C)N(C)C)c(=O)c12 584895979 KJNIPVBDVCSKFK-LLVKDONJSA-N 275.352 1.745 0 50 CDAA CCO[C@@H](CC)CNC(=O)c1cccc(CN)c1 584903031 MMMTWASJDKVNJH-ZDUSSCGKSA-N 250.342 1.690 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)Cc1ccccn1 822619887 BFGILCUWGLDGHC-GFCCVEGCSA-N 258.325 1.416 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)CC1CCNCC1)C2 584903793 BIOQMYAPRZANEQ-NHAGDIPZSA-N 266.385 1.260 0 50 CDAA Cc1cc(C)n(CC(=O)N[C@H](C)C2=CCCCC2)c(=O)n1 670456114 XEDUJMDZLRMUAD-CYBMUJFWSA-N 289.379 1.865 0 50 CDAA COCCOC1CCN(c2ncc(F)c(OC)n2)CC1 670435796 YDPQMVKZQNQMIJ-UHFFFAOYSA-N 285.319 1.256 0 50 CDAA C[C@@H]1C(=O)N(C)CN1S(=O)(=O)CC1CC2(CCC2)C1 872500654 QGWHQDXRNNSHRZ-SNVBAGLBSA-N 286.397 1.017 0 50 CDAA C=CC(=O)NCCC(=O)NC1CC(OC(C)(C)C)C1 1875365261 ZDEULXJPDQVYGQ-UHFFFAOYSA-N 268.357 1.141 0 50 CDAA Cc1cc(CN2CC[C@@H]2C(N)=O)c2ccccc2n1 1875305383 BZDDPXPEQMOSKI-CQSZACIVSA-N 255.321 1.603 0 50 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COc1ccc(CN2CC[C@@H](O)[C@H](CO)C2)cc1Cl 412103495 LDROPXDTUVXDSW-WCQYABFASA-N 285.771 1.524 0 50 CDAA c1cc(OC2CCN(CC[C@H]3COCCO3)CC2)ccn1 1800413251 DSOQFZGQTOCOEO-INIZCTEOSA-N 292.379 1.730 0 50 CDAA O=C(COc1ccccc1)N[C@@H]1CNCCC1(F)F 449656011 ISNCSSQHBXANPR-LLVKDONJSA-N 270.279 1.179 0 50 CDAA COCc1ccc(CNC(=O)C2CC(C)(O)C2)cc1F 1615571948 HQZGXCGEBOZZTI-UHFFFAOYSA-N 281.327 1.749 0 50 CDAA N[C@@H]1C[C@@H](NC(=O)c2cccc3c2COCC3)C12CCC2 1615554092 JTDCKIHDQQCLOE-HUUCEWRRSA-N 286.375 1.759 0 50 CDAA CC1(C(=O)N[C@H]2COC[C@@H]2Cc2ccncc2)CC1 1615733615 KMDBITUAZGEEKV-STQMWFEESA-N 260.337 1.555 0 50 CDAA Cc1ccc(CN2CC[C@@H](C(=O)O)[C@@H](O)C2)s1 1616071303 VCIIPTMTIXKVQT-MNOVXSKESA-N 255.339 1.324 0 50 CDAA CN(CCN1CCCCCC1)C[C@H]1CCC(=O)N(C)C1 1775981138 AHUXUCXCKYMYEZ-OAHLLOKOSA-N 281.444 1.663 0 50 CDAA CN(C)Cc1nnc(NCc2nc3ccccc3n2C)o1 1772705982 LKCFRSNBKLQLMN-UHFFFAOYSA-N 286.339 1.630 0 50 CDAA CNCc1nnc(NC[C@@H]2Cc3ccccc3CN2C)o1 1772707012 VUVPWIBSNIENNK-ZDUSSCGKSA-N 287.367 1.258 0 50 CDAA CCc1onc(C)c1CNC(=O)c1ccc(O)cn1 1646456789 HWZFKUXYWHKJTN-UHFFFAOYSA-N 261.281 1.576 0 50 CDAA COc1ccc(CNCCN2CCOCC2)cc1 19555888 OFSPJMCOJMZMPM-UHFFFAOYSA-N 250.342 1.117 0 50 CDAA CCC[C@@]1(CO)CN(c2noc(C3CCC3)n2)CC[C@H]1O 1857736119 LJWLKTHAEOZGKO-DOMZBBRYSA-N 295.383 1.687 0 50 CDAA C[C@@H]1[C@@H](O)CCCN1C(=O)c1nc2cnccc2s1 615747101 CGKOEICESTXVHY-SCZZXKLOSA-N 277.349 1.677 0 50 CDAA Cc1cc(CCNC(=O)N2CCCO[C@@H](C(C)C)C2)on1 563063428 UIONWSXAPNWOTN-CQSZACIVSA-N 295.383 1.982 0 50 CDAA O=C(O)[C@@H](c1ccc2c(c1)OCCO2)N1CCCC1 16764654 KTDBVQUBYCVNGF-CYBMUJFWSA-N 263.293 1.679 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)O1 157897616 FSYZIVKMOPZQAA-ADEWGFFLSA-N 263.293 1.496 0 50 CDAA c1ccc2nc(N3CCN(C4CCOCC4)CC3)cnc2c1 377963728 YMIUYCASVPNRFS-UHFFFAOYSA-N 298.390 1.931 0 50 CDAA CCCS(=O)(=O)N1CCN(C2CCCC2)CC1 19852565 AOOBLDRRVJEYBD-UHFFFAOYSA-N 260.403 1.286 0 50 CDAA CC[C@H](C)CONC(=O)c1cnc2c(C)cccn2c1=O 816975765 ONBGGXXBDDPUQK-JTQLQIEISA-N 289.335 1.710 0 50 CDAA C[C@H](O)CN(Cc1ccccc1Cl)C[C@H](C)O 214577 LPFZHQQEAZUCTP-QWRGUYRKSA-N 257.761 1.904 0 50 CDAA Cc1cc(CNC(=O)c2cnc(N)nc2C)ccn1 221358858 XKNPEJFNEXMPQX-UHFFFAOYSA-N 257.297 1.001 0 50 CDAA OC1(CN2CC[C@H](Oc3cccnc3)C2)CCOCC1 157275124 PNBBXQAWHAQDAW-AWEZNQCLSA-N 278.352 1.076 0 50 CDAA C[C@@H](C(=O)O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 263542191 DPBNTELBWLXXGG-ZCFIWIBFSA-N 293.245 1.118 0 50 CDAA C[C@H](C[C@H]1CCC(=O)N1)NCCNC(=O)OC(C)(C)C 309922736 WKSVPRHHQJPGSW-GHMZBOCLSA-N 285.388 1.158 0 50 CDAA COCC1(CNC(=O)c2c[nH]c(C)cc2=O)CCCC1 456848432 APSBKMSQWRJNBR-UHFFFAOYSA-N 278.352 1.620 0 50 CDAA Cc1c(Cl)cccc1CN1CCO[C@@H](C(=O)O)C1 901488579 GJTTXIHHYZCCKV-GFCCVEGCSA-N 269.728 1.934 0 50 CDAA O=C([C@H]1C=CCC1)N1CCC(c2nnc(O)o2)CC1 2325773484 HRLVMSRDCNUFKQ-JTQLQIEISA-N 263.297 1.447 0 50 CDAA O=C1N[C@@H](c2cc(C(F)(F)F)co2)N2CCOC[C@H]12 2325776909 NCFVTWWEBJVQBP-VXNVDRBHSA-N 276.214 1.128 0 50 CDAA CCc1ccc(-n2cc(C(=O)N(C)C3CC(N)C3)nn2)cc1 2325778838 RXSOPTWHLRDYHR-UHFFFAOYSA-N 299.378 1.391 0 50 CDAA Cc1ncc2c(n1)CC[C@@H](C(=O)N[C@H](C)c1ccn(C)n1)C2 2325810610 UJMBNJWEVREYJQ-ZYHUDNBSSA-N 299.378 1.501 0 50 CDAA O=C(CCc1cc(Cl)no1)N[C@H]1C[C@@H](n2cccn2)C1 2325811363 SDFOOGOBNDSOFD-AOOOYVTPSA-N 294.742 1.977 0 50 CDAA Cc1ccc(C)c(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c1 572783 RSFWLMSKHBUENF-GFCCVEGCSA-N 285.365 1.691 0 50 CDAA O=C(Nc1ccc(F)cc1F)c1nc2ncccn2n1 923972 XMCMZNNOAAAIJY-UHFFFAOYSA-N 275.218 1.655 0 50 CDAA O=C(NC(=S)N1CCOCC1)c1ccccc1Cl 454100 PJTKVZKIMMJIAD-UHFFFAOYSA-N 284.768 1.687 0 50 CDAA COC(CNC(=S)Nc1cccc(C)c1)OC 454587 WTGUARZEFAUYEV-UHFFFAOYSA-N 254.355 1.900 0 50 CDAA O=S(=O)(NCc1ccncc1)c1cccs1 2486783 UGXVXUQEPQJANQ-UHFFFAOYSA-N 254.336 1.622 0 50 CDAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1cnc(C2CC2)nc1 2356149689 QOHLXNIXKJKCDC-UMSPYCQHSA-N 289.335 1.727 0 50 CDAA Cc1cc(C(=O)NCCCN2CCCC2=O)cs1 2872646 YCDHJPQUZUOSSX-UHFFFAOYSA-N 266.366 1.799 0 50 CDAA CC(C)c1cccc(OCCOCCNCCO)c1 2980654 WQSDZZOUNHRFLC-UHFFFAOYSA-N 267.369 1.787 0 50 CDAA Cc1cc(C)n2nc(C(=O)NCc3ccccn3)cc2n1 4820819 GYQNQDXTWACAMC-UHFFFAOYSA-N 281.319 1.671 0 50 CDAA CCn1cc(C(=O)Nc2cccc(-c3noc(=O)[nH]3)c2)cn1 114261657 LNROVTCNLDVHCQ-UHFFFAOYSA-N 299.290 1.499 0 50 CDAA Cc1n[nH]c(SCC(=O)N2CCc3ccccc32)n1 8680681 AMGIERXBNXMGNZ-UHFFFAOYSA-N 274.349 1.795 0 50 CDAA COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1 8683631 QMUWGPALEWDVLD-LBPRGKRZSA-N 276.361 1.995 0 50 CDAA Cc1nccc(NCCCS(C)(=O)=O)c1Cl 309346333 LSLOKOXBRBGECI-UHFFFAOYSA-N 262.762 1.890 0 50 CDAA O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)[C@H]3OC[C@@H](O3)[C@@H]12 110423673 XLWJCKJOMYVUEB-SEKJGCFDSA-N 262.236 1.195 0 50 CDAA CCN(Cc1noc(CC(C)C)n1)C(=O)[C@@H]1CCOC1 55282915 ZWPBNIOXXXLADW-LLVKDONJSA-N 281.356 1.653 0 50 CDAA COc1cccc(OCC(=O)NC[C@@H]2CCCN(C)C2)c1 67604976 SXNXFKZHDJABQB-ZDUSSCGKSA-N 292.379 1.532 0 50 CDAA CC(C)c1cc(NC(=O)[C@@]2(C)CCCNC2)[nH]n1 135896290 ANIIAXSKASICPL-ZDUSSCGKSA-N 250.346 1.861 0 50 CDAA CCCc1nccn1-c1ccc(OCC(N)=O)c(C)c1 65409059 OJSYEPAGISNYJS-UHFFFAOYSA-N 273.336 1.997 0 50 CDAA COc1cccc([C@H]2CCCN2C(=O)Cn2ccnn2)c1 175110741 XSDMWZYRPHLKPZ-CQSZACIVSA-N 286.335 1.650 0 50 CDAA CCNC(=O)c1ccc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)nn1 230155198 XHKLHUSPBDVPCJ-LOWVWBTDSA-N 290.367 1.596 0 50 CDAA CC1(C)C[C@H](NC(=O)C2(S(C)(=O)=O)CC2)C(C)(C)O1 331518829 QQJPTIJVXMLYHJ-VIFPVBQESA-N 289.397 1.026 0 50 CDAA CCN(CC)Cc1cnc2c(C(=O)NC3CC3)cnn2c1 67447132 TUGMMZPBZCEJOI-UHFFFAOYSA-N 287.367 1.463 0 50 CDAA CCCN1C[C@@H](NC2CCC3(CCNCC3)CC2)CC1=O 67872609 JSLPDTSSTCKVTB-HNNXBMFYSA-N 293.455 1.899 0 50 CDAA NC(=O)c1ccc(C(=O)NCC2(CF)CC2)cc1 328593376 JALPDYLIVFWNDP-UHFFFAOYSA-N 250.273 1.265 0 50 CDAA CN1CCN(C(=O)CCc2ccccn2)C[C@@H]1c1ncc[nH]1 328631897 RNTOVCWZYGLFQQ-CQSZACIVSA-N 299.378 1.253 0 50 CDAA COc1cc(NCc2cncn2CC(C)C)ncn1 65466737 WVBOMSRGUWGXOU-UHFFFAOYSA-N 261.329 1.950 0 50 CDAA Cn1cnnc1[C@H]1CN(Cc2cccc3c[nH]nc23)CCO1 328632999 LRZQTKVZMOIPEP-CYBMUJFWSA-N 298.350 1.265 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)C1(O)CCCCC1 328640951 XRIMKGSQERQEEX-CYBMUJFWSA-N 291.395 1.599 0 50 CDAA CN[C@H](CO)c1cccc(-c2cc(N)ccc2CCO)c1 863726732 OBXWKYTVUGJESZ-QGZVFWFLSA-N 286.375 1.723 0 50 CDAA CCOC(=O)C[C@H](O)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 253406290 XXBGXPZETXAOCM-RVMXOQNASA-N 283.368 1.243 0 50 CDAA Cc1nnc(CN2CCC(c3cnc[nH]3)CC2)n1C 331967602 UEAVDVGWNOYMPK-UHFFFAOYSA-N 260.345 1.226 0 50 CDAA c1ccc(CN(CCn2cccn2)[C@H]2CCCNCC2)nc1 435619817 WRZHRQRUFHJFEB-KRWDZBQOSA-N 299.422 1.922 0 50 CDAA NC(=O)[C@@]1(O)CCCN(Cc2cc(Cl)ccc2F)C1 284803799 KBJPEXQBVABBPI-CYBMUJFWSA-N 286.734 1.291 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H]2C(=O)O)n[nH]1 236599321 NXYNPFBTJCSXNR-SNVBAGLBSA-N 251.286 1.222 0 50 CDAA C[C@@H]1OCC[C@H]1C(=O)NCc1nnc(C2CCC2)n1C 129072111 NFRVBCSIVVTYMJ-GXSJLCMTSA-N 278.356 1.124 0 50 CDAA C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cnccn1 126981691 BXKZUVQBGQWWNE-NOZJJQNGSA-N 255.277 1.980 0 50 CDAA Cc1cc2nc(-c3ccccc3)cc(N3CC(O)C3)n2n1 72453572 CYZNJTQSEIKJDB-UHFFFAOYSA-N 280.331 1.886 0 50 CDAA C[C@H]1CCCN(C(=O)CCCc2ccccn2)[C@H]1CN 237687150 GSKOXHWETWBSQI-ZFWWWQNUSA-N 275.396 1.990 0 50 CDAA CN(CCn1cccn1)CCn1c(=O)oc2ccccc21 215049185 NZEGLELMTKSRPH-UHFFFAOYSA-N 286.335 1.423 0 50 CDAA Cc1nc(-c2ccccc2)ncc1C(=O)N1CCNCC1 237704853 GCQDFQUXLIJALL-UHFFFAOYSA-N 282.347 1.497 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc(Cl)c[nH]2)C1 286010946 ZMWBPDNXRAPHJC-SCZZXKLOSA-N 295.730 1.388 0 50 CDAA CC[C@@]1(O)CCN(C(=O)c2ccc(Cl)cn2)C[C@H]1O 72422033 MIEXEUZLLZXXIT-DGCLKSJQSA-N 284.743 1.083 0 50 CDAA O=C(NCCc1cccs1)[C@H]1NCCc2[nH]cnc21 72478841 XYALFHSBQGZAKB-LBPRGKRZSA-N 276.365 1.017 0 50 CDAA CCC(=O)N1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 286749138 LMBNFUUBESRQIG-NSHDSACASA-N 277.368 1.879 0 50 CDAA Cc1cc(NCCCn2cncn2)nc(-c2cccnc2)n1 48331413 LJVVEFHDQFBMCT-UHFFFAOYSA-N 295.350 1.941 0 50 CDAA C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H](c2ccsc2)O1 241911292 UBHQYNJENRTYJS-BXKDBHETSA-N 292.364 1.479 0 50 CDAA COC[C@]1(C)NC(=O)N(Cc2cnc(Cl)s2)C1=O 131641507 RYULNLZAPLDTPW-JTQLQIEISA-N 289.744 1.253 0 50 CDAA O=C(O)[C@@H]1CCCN1CCCCCN1CCC[C@H]1C(=O)O 44137933 RRHVVNMYDOBHKW-STQMWFEESA-N 298.383 1.255 0 50 CDAA O=S1(=O)CC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 44711917 VZIWYAPELFQMCA-ZCFIWIBFSA-N 281.259 1.094 0 50 CDAA CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(C(=O)O)cc1 263571043 IXBSYDNOWOWEBQ-AWEZNQCLSA-N 290.363 1.731 0 50 CDAA O=C(Nc1ccn(Cc2ccncc2)n1)[C@H]1CCCN1 225448561 ZIBBVDIUFIALEV-GFCCVEGCSA-N 271.324 1.017 0 50 CDAA COc1ncc(C(=O)NCc2ccc3c(c2)C[C@H](C)O3)cn1 426411290 LEONRJBFNKRLAH-JTQLQIEISA-N 299.330 1.739 0 50 CDAA Nc1nc(NCc2cccc(CO)c2)cc(C2CC(N)C2)n1 220633787 BOHPDIQBTMXXKI-UHFFFAOYSA-N 299.378 1.368 0 50 CDAA CNC[C@@H]1CCN(C(=O)/C=C/c2ccccc2OC)C1 178986343 VIBSDUFTVKOOJD-GWJCSSMESA-N 274.364 1.776 0 50 CDAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1c(Cl)c(C)nn1C)C2 426509963 GFQQLXPZIASMQX-IWIIMEHWSA-N 297.786 1.879 0 50 CDAA N=c1cc[nH]cc1-c1cccc(C(=O)N[C@@H]2CCOC2)c1 426567190 ZPTQQHKKRIOTMK-CYBMUJFWSA-N 283.331 1.680 0 50 CDAA CN(CC(=O)N1CCC[C@@H](CCC(=O)O)C1)C1CCCC1 426716994 OIMRELNTZMKDTG-ZDUSSCGKSA-N 296.411 1.964 0 50 CDAA Cc1cc(=O)cc(C(=O)N[C@H](c2ncnn2C)C(C)C)o1 223057975 LOHCWMIHIOCZHB-LBPRGKRZSA-N 290.323 1.204 0 50 CDAA COCC[C@H]1COCCN1c1ncnc2ccccc12 292416451 SYMJUVCYCFYFQE-LBPRGKRZSA-N 273.336 1.872 0 50 CDAA C[C@@H](C(=O)N(C)CCCCN1CCOCC1)n1ccnc1 426470855 NTEDCXYGJWHJKT-AWEZNQCLSA-N 294.399 1.015 0 50 CDAA CC1(C)C[C@]1(C(=O)NCC(=O)O)c1cccs1 426399242 OZYMZHXEQJKQMP-GFCCVEGCSA-N 253.323 1.617 0 50 CDAA O=C(C[C@H]1CNCCO1)N1CCC[C@@H]1c1ccccc1 91299515 WMYVKKFCIFSXOQ-LSDHHAIUSA-N 274.364 1.729 0 50 CDAA CN(C)CCCNC(=O)c1cnc(-c2cccs2)nc1 426719804 FNXLJLHOHSSMKD-UHFFFAOYSA-N 290.392 1.887 0 50 CDAA Cc1nc(-c2nc3c([nH]2)CCCNC3=O)nc2c1CCCC2 95391331 KFVUBOKAJOGSMH-UHFFFAOYSA-N 297.362 1.730 0 50 CDAA Cc1cccc(CNC(=O)c2ccc3nnnn3c2)c1C 97602550 XRGLTPPDXFITRX-UHFFFAOYSA-N 281.319 1.671 0 50 CDAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Cn2cccnc2=O)C1 97475623 YHPOCJIRQXEGBD-MLGOLLRUSA-N 289.379 1.671 0 50 CDAA COc1cccc2c1OC[C@H](NC(=O)c1ccnnc1)C2 90530067 DDNQUGLQZDMHIF-GFCCVEGCSA-N 285.303 1.219 0 50 CDAA COC(=O)[C@H](Br)C(=O)c1cccnc1 140670922 SDIXOISTCZJPHP-SSDOTTSWSA-N 258.071 1.201 0 50 CDAA CCCn1cnnc1CNc1nc(N)ncc1CC 91636507 ROOYAYSJTVZKHV-UHFFFAOYSA-N 261.333 1.235 0 50 CDAA Cc1ncc(C(=O)N2CCN3CCCC[C@H]3C2)c(C)n1 97632139 KUDMASNSUBDQKL-ZDUSSCGKSA-N 274.368 1.404 0 50 CDAA CN1C[C@@H](C(=O)N2CCc3[nH]cnc3C2)Oc2ccccc21 96163135 QJPVNURWFKYGNB-HNNXBMFYSA-N 298.346 1.192 0 50 CDAA O=C(CCc1ncccn1)N1CCC[C@@H](CCO)CC1 622731515 QTUAJUKIUJYXFU-CYBMUJFWSA-N 277.368 1.420 0 50 CDAA Cc1cc2c(c(=O)n1C)[C@H](c1ccc(O)cc1)CC(=O)O2 524731242 PLOFUUDOIFOLGU-LBPRGKRZSA-N 285.299 1.840 0 50 CDAA biogenic O=C(Nc1ccc(O)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 245226460 YENGWQFRGSMEOS-WDAHDJQVSA-N 273.288 1.528 0 50 CDAA C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(O)CC1 249305485 JERNGNIEVLLHNX-UPJWGTAASA-N 268.401 1.336 0 50 CDAA CC(C)CC1(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)CCC1 534640049 MDPVCQHIXGGSJK-NSHDSACASA-N 295.383 1.307 0 50 CDAA CCCc1ncncc1C(=O)N[C@H](C(=O)O)c1ccccc1 534646635 ZEOCZICFUSPQSI-AWEZNQCLSA-N 299.330 1.985 0 50 CDAA NC[C@H]1CCN(S(=O)(=O)c2cc3ccccc3s2)C1 534676286 OULWJBHGMMLTLE-SNVBAGLBSA-N 296.417 1.871 0 50 CDAA CCOC(=O)c1ccc2nc(C(=O)OCC)cn2c1 261508063 PIPPGAZLMDJIRB-UHFFFAOYSA-N 262.265 1.688 0 50 CDAA CCn1ncc(CNC(=O)[C@@H](C)n2ccnc2C)c1C 534631166 SOKDQXFOSZHLQH-LLVKDONJSA-N 275.356 1.594 0 50 CDAA COc1ccc(CC[C@H](C)NCc2nc(=N)[nH][nH]2)cc1 534574429 LLZQDJLOMCIKSP-JTQLQIEISA-N 275.356 1.337 0 50 CDAA COc1cccc(-c2cccc(C(=O)N3CC(O)C3)c2)n1 299763757 QZPSTDXJFXWJLB-UHFFFAOYSA-N 284.315 1.574 0 50 CDAA CO[C@@H]1CCN(C(=O)CCN2CCCCCCC2)C1 824300520 XHOSXKMVMYFADQ-CQSZACIVSA-N 268.401 1.890 0 50 CDAA O=C(NCC1CCN(Cc2ncc[nH]2)CC1)c1ccoc1 828207588 XBOOFKOCMWJMEA-UHFFFAOYSA-N 288.351 1.645 0 50 CDAA CCCn1nccc1S(=O)(=O)N[C@@H](C)c1cnn(C)c1 823033268 NHMHWPSRQWXAJM-JTQLQIEISA-N 297.384 1.066 0 50 CDAA CN1CCCN(CC[C@@H]2CCOC2)CC12CCNCC2 823778381 RNGBLNUHOIJFKA-OAHLLOKOSA-N 281.444 1.173 0 50 CDAA CN1CCCC[C@H]1CCNS(=O)(=O)CC1CCCC1 823778010 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1875350054 YYQSBFIDDAVSNT-KFWWJZLASA-N 298.346 1.180 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCC3(O)CCCC3)n[nH]c21 1875394115 VZAOIWKDTDKQPS-ZJUUUORDSA-N 293.367 1.467 0 50 CDAA N[C@H](C1CCCC1)C1(O)CCC2(CC1)OCCO2 958528764 UNZCJNOIBVYWSB-GFCCVEGCSA-N 255.358 1.552 0 50 CDAA N[C@H]1C[C@@H](NC(=O)c2ccc(-c3cn[nH]c3)cn2)C12CCC2 1775786755 NCYAYZMGGYPWKS-UONOGXRCSA-N 297.362 1.471 0 50 CDAA NS(=O)(=O)C[C@@H]1CC[C@H](Nc2nc3ccccc3o2)C1 1775286419 PLBKVUGEIJCKAT-ZJUUUORDSA-N 295.364 1.697 0 50 CDAA O=C(NCc1cnc2n1CCC2)[C@@H]1CC[C@@H]2CCCCN21 1364018727 FRPOFWWPGMEZMD-JSGCOSHPSA-N 288.395 1.462 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)c1sccc1C 1565510423 VFWZWLIBHRNNAU-UWVGGRQHSA-N 255.339 1.590 0 50 CDAA C[C@]1(O)CCN(c2ccnc3ccccc23)C[C@@H]1O 96130781 ZTVODRLTSFEKDW-GJZGRUSLSA-N 258.321 1.557 0 50 CDAA C[C@H](COc1cccc(F)c1)NC(=O)[C@H]1CCC(=O)N1C 170598482 XTKFLQFLZFCWFK-ZWNOBZJWSA-N 294.326 1.330 0 50 CDAA COC(=O)[C@H]1CCC[C@@H](OC(=O)c2cccn2C)C1 170604331 LHEMLQNCLHTEFN-WDEREUQCSA-N 265.309 1.914 0 50 CDAA O=C(CCn1ccnn1)N1CCN(C2CC2)c2ccccc21 186868254 PETPRCZBQNJZNB-UHFFFAOYSA-N 297.362 1.684 0 50 CDAA O=C(C[C@@H]1CCCC[C@H]1O)NCc1cccc(O)c1 281004224 RNXYIARUBOBOTD-GXTWGEPZSA-N 263.337 1.950 0 50 CDAA CCn1cnc2c(N3CC[C@H](N(C)C)[C@H]3C)ncnc21 408518610 PWMDKAWYBNWBHF-MNOVXSKESA-N 274.372 1.375 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cnn(C)c1 188507565 IGABOLZDXPQOKR-ZYHUDNBSSA-N 251.330 1.194 0 50 CDAA COCCn1cc(NC(=O)[C@H]2CCCO[C@H]2C)cn1 188927046 MNRSFZIRBMBTSL-JQWIXIFHSA-N 267.329 1.283 0 50 CDAA Cn1nccc1C1CCN(c2ncccc2C(=O)O)CC1 647446259 JWDZHFCOKPBVMK-UHFFFAOYSA-N 286.335 1.897 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2cocn2)C[C@H]1c1ccccc1 647757381 YVWDAPLZSWOZRC-NWDGAFQWSA-N 286.287 1.615 0 50 CDAA CSCC[C@H](N)C(=O)N=c1sc2ccccc2n1C 588401999 SPORVAGYKMBINQ-VIFPVBQESA-N 295.433 1.748 0 50 CDAA COc1ccc(I)c(C(=O)O)c1 34305080 DASWULXFGZZRIC-UHFFFAOYSA-N 278.045 1.998 0 50 CDAA in-vitro CN(C)C(=O)Sc1cccc(NC(=O)C2(O)CC2)c1 1615058980 YIGUMZJFBYFMIS-UHFFFAOYSA-N 280.349 1.924 0 50 CDAA CN(C)C[C@@H](CO)NC(=O)c1ccc(F)c2cccnc12 1615590672 POYUUGABFAYKKG-JTQLQIEISA-N 291.326 1.026 0 50 CDAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1cncnc1C1CC1 1616043280 XBZKFTPYSRXMTO-ZDUSSCGKSA-N 297.362 1.895 0 50 CDAA Nc1nccc2c1cnc1nc(-c3ccccc3)nn12 1848442842 LIYCKLKYHZVRLR-UHFFFAOYSA-N 262.276 1.922 0 50 CDAA CCc1ccccc1OCCN1C[C@@H]2CNC[C@@]2(CO)C1 1772705228 GAWAPFNLOXJMJS-RDJZCZTQSA-N 290.407 1.142 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)c(C)c1 1772815703 YIJDLEWBJIMUCW-FRRDWIJNSA-N 281.377 1.305 0 50 CDAA Cc1cnnc(N2CCN(C)C3(CCOCC3)C2)c1C 1857670223 BOUZKCCZJONBMZ-UHFFFAOYSA-N 276.384 1.394 0 50 CDAA CCS[C@@H](C)C(=O)N1CCN(c2cccnc2)CC1 1857699699 VXWSPPLZYLSDOC-LBPRGKRZSA-N 279.409 1.872 0 50 CDAA Cc1c(C(=O)NCc2cccnc2)nnn1-c1ccccc1 12274798 MNOOCAIDWKYQCQ-UHFFFAOYSA-N 293.330 1.901 0 50 CDAA Nc1ncc(Cl)cc1I 19721721 DIONPYCYVWCDIG-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA COc1cccc(/C=C/C(=O)NCC(=O)O)c1Cl 4542756 QBAMZENONXDDEI-AATRIKPKSA-N 269.684 1.563 0 50 CDAA CC(C)NC(=O)NCCNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2 1857532393 SJGCEVKSKQEEMQ-SLEUVZQESA-N 281.400 1.637 0 50 CDAA CN1C(=O)NCC12CN(C(=O)c1cn(C)c3ccccc13)C2 1857675868 GOEMTGDZNRNJOG-UHFFFAOYSA-N 298.346 1.028 0 50 CDAA O=C(c1cc(O)cc(O)n1)N1CCC[C@@H](OCC2CC2)C1 613671722 RVTBXIQNXZMNPC-GFCCVEGCSA-N 292.335 1.524 0 50 CDAA Cn1cnc2c(c1=O)CCN(C(=O)C(C1CC1)C1CC1)C2 330086778 MQLASKOQQRXIRO-UHFFFAOYSA-N 287.363 1.101 0 50 CDAA Cc1ncncc1C(=O)N1CCN(c2ccc(O)cc2)CC1 332395869 OUMKMTJIVLNPRR-UHFFFAOYSA-N 298.346 1.453 0 50 CDAA N[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)C1 238066911 IJLHATVBWCREKW-LSDHHAIUSA-N 291.370 1.350 0 50 CDAA Cc1ccc(N2CCC[C@H](Nc3ncc(F)cn3)C2)nn1 676563526 XNIWABRPCWIKHI-LBPRGKRZSA-N 288.330 1.795 0 50 CDAA Cc1nccnc1N1CCN(C(=O)CC2CC2)CC1 253395252 VXFVACXYYWYHLQ-UHFFFAOYSA-N 260.341 1.234 0 50 CDAA Oc1ccc(CN2CCN(c3ncccn3)CC2)cc1 22779261 ZHYXOCHZQKQEKJ-UHFFFAOYSA-N 270.336 1.504 0 50 CDAA CC1(C)C[C@@H]1C(=O)Nc1ccc(-n2cc(CO)nn2)cc1 156817346 FJPCRYJVVALHLZ-CYBMUJFWSA-N 286.335 1.744 0 50 CDAA COc1ccc([C@@H](C)C(=O)N2CCOC[C@H]2C(=O)O)cc1 262526005 RSFVQVPTMLPDBZ-MFKMUULPSA-N 293.319 1.111 0 50 CDAA CC(C)(C)NS(=O)(=O)c1ccc2c(c1)OCCO2 4995390 KLTRZXNJWNWBAJ-UHFFFAOYSA-N 271.338 1.535 0 50 CDAA O=C(O)[C@H](CCc1ccccc1)N1CCn2ncnc2C1 903881681 IQAZEHDYKKSEME-ZDUSSCGKSA-N 286.335 1.180 0 50 CDAA COc1c(C)nc(C2CC2)nc1N1CC[C@H](C(=O)O)C1 910406410 PCABNWUVHYSVDP-JTQLQIEISA-N 277.324 1.582 0 50 CDAA OC[C@H](O)C1CCN(Cc2nc3c(s2)CCCC3)CC1 1772710177 PBHXREQYEPZMEN-ZDUSSCGKSA-N 296.436 1.587 0 50 CDAA Cc1ncc(CN2CCN(c3ncns3)CC2)o1 930632055 VQUGVSFCEFJPAA-UHFFFAOYSA-N 265.342 1.157 0 50 CDAA Cc1cc(C(=O)NC2(CC(N)=O)CCCCC2)co1 1120001965 KYNCUGWCJHTADE-UHFFFAOYSA-N 264.325 1.896 0 50 CDAA Cn1ncnc1CN1Cc2ncccc2N2CCC[C@H]2C1 934489407 ZSYOHRMIGXDUKT-LBPRGKRZSA-N 284.367 1.195 0 50 CDAA CNC(=O)C(C)(C)CNC(=O)c1cc(C=O)ccc1F 860297452 YBJROZBLHVQGIW-UHFFFAOYSA-N 280.299 1.140 0 50 CDAA COCCNC(=O)NC12CC3CC(CC(C3)C1)C2 3900103 CRBXSTMVHUJHBK-UHFFFAOYSA-N 252.358 1.901 0 50 CDAA CN1CCO[C@@H]2CN(Cc3ccc(F)cc3Cl)C[C@@H]21 121019858 BOGBYKNUFXZKDA-UONOGXRCSA-N 284.762 1.994 0 50 CDAA c1cc2c(cc1CNCC[C@H]1CCOC1)OCCO2 230162502 WWSRMVOHQXJGIC-LBPRGKRZSA-N 263.337 1.974 0 50 CDAA C/C=C1\C[C@H](CO)N(C(=O)c2ccc(O)c(OC)c2)C1 145123594 GAUJSMAGHDSDFE-QNDISFKXSA-N 277.320 1.554 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2[C@@H]2CCCCO2)C1 260313946 LGBGXVZENWFPTL-ZJUUUORDSA-N 265.313 1.255 0 50 CDAA C[C@H]1C[C@H](C(=O)NC2(C(=O)O)CCCCC2)CCO1 262621932 GTXCUPBEOGIAKJ-WDEREUQCSA-N 269.341 1.705 0 50 CDAA O=C(NCc1cc[nH]n1)[C@H]1COc2ccccc2C1 40444929 WDRCHZAGKZBMNK-LLVKDONJSA-N 257.293 1.277 0 50 CDAA CCc1cnc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)o1 613589080 JJZINOVPNBGZCB-VIFPVBQESA-N 274.324 1.381 0 50 CDAA Cc1noc(C)c1CNC[C@@H]1CCc2nccn2C1 328624232 CHKNXONWZWVVFA-LBPRGKRZSA-N 260.341 1.840 0 50 CDAA CC(C)[C@@H](CNC(=O)CCc1cn[nH]c1)N(C)C 534662749 ZMSDEPQTEZPDLQ-GFCCVEGCSA-N 252.362 1.045 0 50 CDAA CO[C@]1(C(=O)O)CCN(C(=O)c2cccc(C)c2Cl)C1 630254704 XSYRYAZIJOUCPP-CQSZACIVSA-N 297.738 1.964 0 50 CDAA C[C@H](C[C@H]1CCC(=O)N1)NC[C@H]1CCOC(C)(C)C1 926557017 FKBHZDYYWXTCIJ-FRRDWIJNSA-N 268.401 1.838 0 50 CDAA Cn1ccnc1[C@H](O)C1CCN(CCOC2CC2)CC1 930059001 VEENPXJEDNHVAH-CQSZACIVSA-N 279.384 1.345 0 50 CDAA CC1(C)C[C@@H](NC(=O)c2ccncc2)CCS1(=O)=O 888397510 DSPJIFPUSUZHOH-NSHDSACASA-N 282.365 1.167 0 50 CDAA COc1ccc(OC)c2c1c(C=O)c(C(=O)O)n2C 2299912226 SMRQYURFMUYQQG-UHFFFAOYSA-N 263.249 1.706 0 50 CDAA O=C(Nc1ccccc1)NC1(c2nn[nH]n2)CCC1 2325731118 QYUDGVFAYSHBMQ-UHFFFAOYSA-N 258.285 1.401 0 50 CDAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)c1ccn(C2CCC2)n1 2325803166 UVEMMZJGJBMGFW-KWQFWETISA-N 295.364 1.297 0 50 CDAA N[C@@]12CCOC[C@@H]1CN(CCc1ccc3c(c1)CCO3)C2 2325809907 ZMGBEWGUGGZBTG-DOTOQJQBSA-N 288.391 1.214 0 50 CDAA O=C(NCc1c[nH]c2ccccc12)NCC1OCCO1 2325810973 UHEUYVOGVQYTQU-UHFFFAOYSA-N 275.308 1.340 0 50 CDAA O=C(CCN1CCCC1)NC[C@@H]1OCCc2ccccc21 118778 DHEYIFFLMGXFGD-INIZCTEOSA-N 288.391 1.903 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c2c1 235682 VUTQTXIJKGTCHG-UHFFFAOYSA-N 296.348 1.897 0 50 CDAA Cc1ccc(NC(=O)CSCC(N)=O)cc1C 1059335 AKHAZTNCFSWKCN-UHFFFAOYSA-N 252.339 1.460 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)c2onc3ncccc23)CC1 2356146152 UUFJZHGXOUCHSJ-MGCOHNPYSA-N 275.308 1.910 0 50 CDAA CN1CCC[C@@]2(CCCN2Cc2cnsc2)C1=O 2356156489 DPQVAEXNSFBCAL-CYBMUJFWSA-N 265.382 1.730 0 50 CDAA COc1cc(CNCc2ccco2)ccc1OCC(N)=O 4488572 DCTCIDCCNXECQR-UHFFFAOYSA-N 290.319 1.442 0 50 CDAA COc1cc2c(cc1OC)[C@H](C(=O)O)CC(=O)N2 4698376 YXVMJMFYNJWXET-SSDOTTSWSA-N 251.238 1.214 0 50 CDAA COCCNC(=O)CCc1nc(-c2ccccc2F)no1 4921324 WVVWOMABVGXIRP-UHFFFAOYSA-N 293.298 1.571 0 50 CDAA CCOC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1 6154325 DSLCMJWJIJKORD-UHFFFAOYSA-N 253.298 1.537 0 50 CDAA O=C(NC[C@H]1CCCO1)Nc1ccc2c(c1)OCO2 6726849 AJDPSUCJANVVKF-SNVBAGLBSA-N 264.281 1.716 0 50 CDAA C/C=C/CC(=O)N(CCOC)Cc1cnn(C)c1 55310119 BUOCBSNEUDTAFA-SNAWJCMRSA-N 251.330 1.361 0 50 CDAA C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCC(=O)Cc1ccccc1 135264304 SZYMVZSFBKGAAB-WBMJQRKESA-N 287.359 1.920 0 50 CDAA 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CCn1cc(CN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)cn1 1775981671 CDDDSUXALDYBJC-AWEZNQCLSA-N 292.427 1.982 0 50 CDAA COc1cc(CNC2CCCC2)ccc1OCC(N)=O 5063328 SKIACZKNCHFNLM-UHFFFAOYSA-N 278.352 1.592 0 50 CDAA O=C(c1ccco1)N1CCC(C(=O)N2CCCC2)CC1 13955689 QGRKVYGYNRKIRW-UHFFFAOYSA-N 276.336 1.754 0 50 CDAA CSc1ccc(CNCCN2CCOCC2)cc1 19370621 WSHZTYITHLMQTA-UHFFFAOYSA-N 266.410 1.830 0 50 CDAA Cc1cc(Cl)ccc1OCCN1CCNCC1 19728633 KEYOOUFLZVCDPX-UHFFFAOYSA-N 254.761 1.932 0 50 CDAA C[C@@H]1CNCCN1C(=O)[C@H]1CC[C@H](c2ccccc2)N1 1857731522 UEBXZSPTRWXIMH-BPLDGKMQSA-N 273.380 1.300 0 50 CDAA CCc1nn(C)cc1C(=O)N1CCC(C)(OC)CC1 328592584 KKXTZVKCRWBYRY-UHFFFAOYSA-N 265.357 1.624 0 50 CDAA Cc1ccnc(N2CCN(Cc3ccc(CO)o3)CC2)c1 535080108 JHTUNONVAGDYSO-UHFFFAOYSA-N 287.363 1.798 0 50 CDAA Cc1ccc(CCCC(=O)N2CCO[C@H](C(=O)O)C2)s1 237692321 IKRMJPFQYOOFGJ-LBPRGKRZSA-N 297.376 1.691 0 50 CDAA C[C@H](NC(=O)N(C)CCC1CC1)c1nnnn1C1CC1 252498194 QWJWDMOMFCSENY-VIFPVBQESA-N 278.360 1.511 0 50 CDAA C[C@@H]1C[C@@H]1c1nc([C@H]2CCCN2S(C)(=O)=O)no1 252536161 HRZWCMLRXZGEQV-HRDYMLBCSA-N 271.342 1.290 0 50 CDAA CCc1nc(CN2C[C@H](C(N)=O)Cc3ccccc32)no1 264741212 UABUXGVDZBJEQI-LLVKDONJSA-N 286.335 1.296 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccc(F)c(Cl)c1 232320800 CXMHMHONUFKRCB-UHFFFAOYSA-N 274.528 1.733 0 50 CDAA C[C@@H](NC(=O)c1cnc(NC2CC2)s1)[C@@H]1CCOC1 900839784 FSNUTZRDPUNZKG-RKDXNWHRSA-N 281.381 1.872 0 50 CDAA O=C(N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1cc2n(n1)CCC2 910004541 JYIHDGCNZVJLQV-FIDNZITISA-N 289.335 1.058 0 50 CDAA O=C(O)c1ccnc(C(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 910993347 CTBQRYIZKZAOPM-TUAOUCFPSA-N 288.303 1.101 0 50 CDAA CCCN(CCC)C(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 225713471 CBLLLOOLSCFRGH-WYUUTHIRSA-N 269.341 1.513 0 50 CDAA NC(=O)C1CCN(C(=O)[C@H](N)CC2CCCCC2)CC1 312859407 XKHZYVZJLSZHCJ-CYBMUJFWSA-N 281.400 1.008 0 50 CDAA CN(C)[C@@H]1CCC[C@H]1N=c1cnc2ccccc2[nH]1 362676189 ULGGPJQQIRAJDG-ZIAGYGMSSA-N 256.353 1.946 0 50 CDAA COC(=O)c1ccc(-c2cccc3c2O[C@@H](CN)C3)nc1 299801948 ZEUBQAZTYVKHJM-GFCCVEGCSA-N 284.315 1.797 0 50 CDAA O=C(N[C@H]1C[C@@H]2C[C@]2(C(=O)O)C1)[C@H]1CCCS1 712994547 BGPGWINOXOZHQI-SREGZZRCSA-N 255.339 1.252 0 50 CDAA C[C@@H]1CCC[C@@H]([C@H](NCc2cn(C)nn2)C(=O)O)C1 2325792899 TVPKAFBNJCGDBF-FOGDFJRCSA-N 266.345 1.184 0 50 CDAA O=C(NC[C@H]1CCSC1)c1n[nH]cc1-c1ccncc1 2325798070 LIVIJJBEMUHFCG-SNVBAGLBSA-N 288.376 1.955 0 50 CDAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccccc1O 42298 UAEJHGCEFAFLIJ-INIZCTEOSA-N 283.283 1.805 0 50 CDAA Cc1cc(C)nc(SC[C@H](O)COC(C)C)n1 209809 SJLRAZGZZOIXDN-LLVKDONJSA-N 256.371 1.971 0 50 CDAA CCCCNC(=O)c1nc2ncc(Br)cn2n1 2496841 JLMQRENHYJDESF-UHFFFAOYSA-N 298.144 1.417 0 50 CDAA C[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)O)[C@H]3C1=O 4044128 SUEGUTGUZJAPEV-PVVBMZFRSA-N 299.326 1.614 0 50 CDAA biogenic CC(C)NC(=O)c1cc(S(=O)(=O)N(C)C)cs1 6680293 TUQQKTKQLLFENX-UHFFFAOYSA-N 276.383 1.137 0 50 CDAA CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O)C(C)(C)C 112737523 JXQDNPABVJXKMH-YUMQZZPRSA-N 261.318 1.371 0 50 CDAA CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C 8628365 HDCPZPQXUVDCPK-UHFFFAOYSA-N 282.369 1.506 0 50 CDAA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cc(C)on1 345823799 ZQSKURWYNVXHCD-SOUVJXGZSA-N 280.368 1.999 0 50 CDAA COc1ccc(C[C@H](C)N2CCN(C=O)CC2)cc1OC 23282290 RXLYWYRZRCTNCI-ZDUSSCGKSA-N 292.379 1.409 0 50 CDAA Cc1cc(C(=O)NCCC(N)=O)c2cccc(C)c2n1 55061196 YRFCQQFUMXAKGZ-UHFFFAOYSA-N 271.320 1.457 0 50 CDAA CCSc1nc(CC(=O)N[C@@H](C)c2ncn[nH]2)cs1 55282958 WAHGYEZBNRJIRQ-ZETCQYMHSA-N 297.409 1.793 0 50 CDAA Cc1nc([C@H](C)Nc2ccc(-c3nccn3C)nn2)n[nH]1 67966865 URVIGCWHBLFEMM-QMMMGPOBSA-N 284.327 1.477 0 50 CDAA CN1CCN(Cc2ccc3ccccc3n2)C[C@@H]1CCO 20785456 PJGBYORCFDGMPZ-INIZCTEOSA-N 285.391 1.733 0 50 CDAA C[C@]1(c2ccccn2)NC(=O)N(CCCF)C1=O 151674613 JVITYGDTTPRKRZ-GFCCVEGCSA-N 251.261 1.208 0 50 CDAA Clc1n[nH]c2c([C@@H]3NCCc4[nH]cnc43)cncc12 65371948 WPGRMEQFHIVMEK-JTQLQIEISA-N 274.715 1.570 0 50 CDAA Cn1ccnc1CCN1CCOc2ccc(CO)cc2C1 1506413678 LCOCTNNSDPXZOY-UHFFFAOYSA-N 287.363 1.350 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)CN2CCCCCC2=O)n[nH]1 178195223 ARYJZWIRXYFKPG-LLVKDONJSA-N 292.383 1.168 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)nc(O)n1 328608473 ANEFPWVKCSAJPI-PWSUYJOCSA-N 293.367 1.672 0 50 CDAA Nc1ncnc2[nH]nc(-c3ccc4c(c3)OCO4)c12 64479803 ZPULZIKXLVCVFG-UHFFFAOYSA-N 255.237 1.331 0 50 CDAA COc1ccc(Cn2c([C@H](C)n3cccn3)n[nH]c2=O)cc1 65434152 GPBMAFWQJSGOMO-NSHDSACASA-N 299.334 1.434 0 50 CDAA Cc1ccccc1S(=O)(=O)N1CCC(=O)CC1 32918762 GZYNUVPARLZYKL-UHFFFAOYSA-N 253.323 1.349 0 50 CDAA CC(=O)[C@H]1[C@@H](c2ccccc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 34772756 OZRZBGMRHUJCAZ-QZWWFDLISA-N 288.343 1.904 0 50 CDAA COc1cc(C(=O)NC2CCN(C)CC2)ccc1N 34618897 XBYFLVPPIOYEJF-UHFFFAOYSA-N 263.341 1.101 0 50 CDAA CC1(C)CN(C(=O)CN2CCC(O)=NC2=O)[C@@H]2CCC[C@@H]21 329463105 QJUHUVYIPFTJSB-WDEREUQCSA-N 293.367 1.806 0 50 CDAA O=C(CN1CCCCC1=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 77470841 IHHGKSBHEVHVCB-AVGNSLFASA-N 264.369 1.694 0 50 CDAA Cc1[nH]nc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1C 330793949 CYVXDYKEBMCEHN-CYBMUJFWSA-N 294.399 1.209 0 50 CDAA CC(C)(C)OC(=O)NC1CCN(C(=O)C2CC2)CC1 30822991 VVEUFBFEDFJPGE-UHFFFAOYSA-N 268.357 1.912 0 50 CDAA CNCC(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C 237207743 QZTVDKNBWDFGAZ-OCCSQVGLSA-N 262.353 1.503 0 50 CDAA O=C(O)[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 36365811 LIPRSPPCSIQIBP-ZDUSSCGKSA-N 286.331 1.965 0 50 CDAA Cc1ccc(C(=O)N2CC(S(C)(=O)=O)C2)c2c1CCC2 333767759 QUAISIBDOOKKTJ-UHFFFAOYSA-N 293.388 1.353 0 50 CDAA CN1C[C@@]2(CCCN(Cc3ccncc3)C2)OC1=O 72433629 MFKBXCJIMAGEAW-CQSZACIVSA-N 261.325 1.498 0 50 CDAA CCC1(CNC(=O)N2CCCC[C@@H]2CCO)COC1 334088786 NEGBRFDCEPJYSN-GFCCVEGCSA-N 270.373 1.360 0 50 CDAA CC(C)c1ncncc1C(=O)N[C@@H]1CCCNCC1 368720911 BYANRGDJEQBCMN-LLVKDONJSA-N 262.357 1.472 0 50 CDAA COC(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C 71973337 UCRLFGKYCFXSEA-VIFPVBQESA-N 257.286 1.128 0 50 CDAA C[C@@H](N[C@H](C)c1nnc2n1CCCC2)C(=O)OC(C)(C)C 241644325 PPYGTQMVFJBFPF-GHMZBOCLSA-N 294.399 1.995 0 50 CDAA COc1ccc(C(C)C)cc1CN1CC[C@H](CO)[C@H](O)C1 72133587 ZGYMCZSTXBNUKX-GDBMZVCRSA-N 293.407 1.994 0 50 CDAA COCc1n[nH]c([C@@H]2CCCCN2Cc2cncn2C)n1 288968349 BMJITCKTPPQQLG-LBPRGKRZSA-N 290.371 1.412 0 50 CDAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(O)cc1F 223705670 XBDBUZRILZHAEL-CHWSQXEVSA-N 283.299 1.455 0 50 CDAA Cn1ncc(Cn2nc(C(F)(F)F)c3cnccc32)n1 289403141 OIYGYCDVPYWAHR-UHFFFAOYSA-N 282.229 1.627 0 50 CDAA Cc1c(C(=O)N(C)[C@H]2CCNC2)cnn1Cc1ccccc1 179111747 GSOBUOZONHXTCJ-HNNXBMFYSA-N 298.390 1.674 0 50 CDAA Cc1cccc(N2CCN(C(=O)/C=C/CN(C)C)CC2)c1 264624661 MFPRWVLQIHCJDZ-VMPITWQZSA-N 287.407 1.761 0 50 CDAA CC(C)C[C@@H](O)C(=O)N(Cc1cnn(C)c1)C1CC1 220338966 BTVQCXRLEZKMBP-CYBMUJFWSA-N 265.357 1.318 0 50 CDAA CCCn1nc(C)c(C(=O)NCCCC(=O)O)c1C 236993522 SORCVYRARVSIRX-UHFFFAOYSA-N 267.329 1.505 0 50 CDAA COC[C@@H](Nc1nnc(C2CCC2)o1)c1ccnn1C 95354762 CWDWWERXGQFXCM-SNVBAGLBSA-N 277.328 1.870 0 50 CDAA O=C(Cn1ccccc1=O)NC[C@@H]1COc2ccccc2C1 91985578 MCFGAGVBSIMDDZ-CYBMUJFWSA-N 298.342 1.216 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1ccn(C(C)C)n1 426503635 XKRAZOMBUMHGIU-NSHDSACASA-N 290.371 1.957 0 50 CDAA CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCOCC1 91690468 RSIMLTTXNZKXTO-OAHLLOKOSA-N 274.364 1.292 0 50 CDAA O=C(c1cc[nH]n1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 91563136 GDQMJZORAGXUBL-ZIAGYGMSSA-N 288.395 1.746 0 50 CDAA CN(CCN1CCCCC1=O)Cc1nccs1 97772995 LYCNJKGVPHDZFD-UHFFFAOYSA-N 253.371 1.587 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)n(C)n1 97636616 GQQSZBFPUFQVRO-QWHCGFSZSA-N 290.411 1.710 0 50 CDAA CO[C@H](C)CCC(=O)N1CCOc2ncccc21 181629299 BDSVNMURUFRDHX-SNVBAGLBSA-N 250.298 1.622 0 50 CDAA COCCC[C@@]1(C(=O)O)CCCN(C(=O)CSC)C1 91933878 CTNXRYUWHANTQA-ZDUSSCGKSA-N 289.397 1.469 0 50 CDAA COC[C@@]1(C)CCN(C(=O)CCc2cnn(C)c2C)C1 622630440 QLMDCAKCOZWEJA-HNNXBMFYSA-N 279.384 1.546 0 50 CDAA COc1ccc(Cl)cc1CNC(=O)[C@H]1C[C@H]1C(=O)O 268885769 GFJKKWAZHCHGNW-VHSXEESVSA-N 283.711 1.686 0 50 CDAA Cn1nc2c(c1NC(=O)[C@H]1CCCO1)CSC2 604419484 DRAAGKHGINLUFD-SECBINFHSA-N 253.327 1.284 0 50 CDAA C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Nc1ccnnc1 297516994 XSUSMBBGLSIPGS-DGCLKSJQSA-N 275.356 1.567 0 50 CDAA O=C1C=C(Nc2cccc(NC(=O)c3cccnc3)c2)CN1 524733178 CDHNRCNCWBNUNJ-UHFFFAOYSA-N 294.314 1.760 0 50 CDAA Cc1cc(C(=O)NCC2(c3ccccn3)CC2)no1 184319665 MFSZUPIRDIBBFS-UHFFFAOYSA-N 257.293 1.840 0 50 CDAA CCc1occc1C(=O)N1CC[C@@H](c2n[nH]cc2N)C1 864386323 ZYNMAEWZVQDXDE-SECBINFHSA-N 274.324 1.777 0 50 CDAA CCCCS(=O)(=O)N[C@H](CC(C)C)c1ncnn1C 534589478 QZKBMAACDKZSIC-LLVKDONJSA-N 288.417 1.622 0 50 CDAA CCc1ccc(C(=O)NC[C@@H](C(C)C)N(C)C)[nH]1 534648287 XLPMJYONGLDBAE-ZDUSSCGKSA-N 251.374 1.893 0 50 CDAA CN1CCC[C@@H](CCC(=O)NC2(C(=O)O)CCCC2)C1 534590794 CHWFXMBFJJZOLB-LBPRGKRZSA-N 282.384 1.622 0 50 CDAA CN(CC(=O)NCC1CCCCC1)CC1(C)COC1 625788099 MHQMPECBLCJNBA-UHFFFAOYSA-N 268.401 1.651 0 50 CDAA COc1nn2cc(Br)cnc2c1C=O 642882271 NMQFSRQJDICNIB-UHFFFAOYSA-N 256.059 1.313 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)N(C)CC1(C)COC1 827879881 HGVFMGBBZLIOSC-NSHDSACASA-N 295.387 1.598 0 50 CDAA O=C1C[C@@H](NC(=O)CCn2cccn2)c2ccccc2N1 584892927 RQIOQLGJKDUIQX-CYBMUJFWSA-N 284.319 1.473 0 50 CDAA Cc1csc([C@@H](C)CNC(=O)c2cncc(=O)[nH]2)n1 584889694 INLYYLOQHBRGLT-ZETCQYMHSA-N 278.337 1.068 0 50 CDAA O=C(CN1CCc2nocc2C1)N1CCc2ccccc21 670467850 IHDPSDVCUYUBAP-UHFFFAOYSA-N 283.331 1.622 0 50 CDAA CNC(=O)C[C@@H]1CCN(C(=O)CCC(F)(F)F)C1 670440207 VYNSNNHWHNTSMN-QMMMGPOBSA-N 266.263 1.314 0 50 CDAA COc1ccccc1-n1cc(CNC(=O)[C@H]2C=CCN2)cn1 670463848 DWQKLTHPVFZVDD-CYBMUJFWSA-N 298.346 1.025 0 50 CDAA CC[C@H](NC(=O)Cn1ccnc1C)c1ncc(C)[nH]1 670437961 PQBDLFVIGVHBNK-NSHDSACASA-N 261.329 1.491 0 50 CDAA O=C(NCc1ccns1)[C@H]1Cc2ccccc2O1 1557522281 RQCIMPGKFQSLDL-GFCCVEGCSA-N 260.318 1.763 0 50 CDAA CC1(C)CCN(S(=O)(=O)CCO[C@H]2CCOC2)CC1 1875289643 GEWZDVMAMYGCBA-LBPRGKRZSA-N 291.413 1.244 0 50 CDAA OCc1cc(N[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)ccn1 1875399505 YEYLZSUBAXARTF-KCPJHIHWSA-N 288.351 1.022 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CC[C@H]2CC[C@@H](O)[C@H]21 1875302484 SANGNFHXWRWQQW-DYLAAIIWSA-N 289.335 1.045 0 50 CDAA Cc1cccc(CNCCN=c2cc[nH]cc2C)n1 952990291 HTAFLWGXNCYWQT-UHFFFAOYSA-N 256.353 1.717 0 50 CDAA NC(=O)C[C@]1(O)CCCN(CC2=CCCCC2)C1 888076904 WXTLDUGTYPTXTF-CQSZACIVSA-N 252.358 1.189 0 50 CDAA Cn1cc(C(=O)N2CC[C@H]2CO)c(C2CCCCC2)n1 889139492 XZEIGFSXMOOMDJ-LBPRGKRZSA-N 277.368 1.675 0 50 CDAA C[C@]1(O)CCN(Cc2cncn2C2CCCC2)C[C@H]1O 1565508634 PJBLINDHXDILEX-CABCVRRESA-N 279.384 1.316 0 50 CDAA CCS[C@H]1CCC[C@H]1NC(=O)c1cncnc1 273933017 KSPWQJUUMOEMSB-MNOVXSKESA-N 251.355 1.881 0 50 CDAA C[C@H](N)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 167705427 XXXILXDLMMSQFR-ZDUSSCGKSA-N 275.396 1.457 0 50 CDAA C[C@@H]1CC[C@H](C(=O)O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 169616333 XZTIGXRGMUHWCL-MGAJPHDKSA-N 287.315 1.923 0 50 CDAA in-vitro O=C(N[C@H]1CCCOc2c(F)cccc21)[C@@H]1CCCN1 169812972 MDVMLKNZHKKHBM-STQMWFEESA-N 278.327 1.908 0 50 CDAA COc1ccc2c(c1)CN(CCC(=O)NC(C)C)CC2 170593042 BQEDTQFGCHCOAH-UHFFFAOYSA-N 276.380 1.968 0 50 CDAA CCOc1cccc(N2CCN(C(=O)NC3CC3)CC2)n1 171687554 RLDNYSLVQSXVHS-UHFFFAOYSA-N 290.367 1.474 0 50 CDAA FC(F)n1ccnc1CN1CCC[C@H](Cn2cncn2)C1 171602325 QJCMBQXRADIPBF-NSHDSACASA-N 296.325 1.782 0 50 CDAA CN(CC1(O)CCCCCC1)C(=O)C[C@@H]1COC(=O)C1 186940834 HNQGNCBKNYPYDL-LBPRGKRZSA-N 283.368 1.483 0 50 CDAA Cc1cc(NC2CCN(c3cccnn3)CC2)ncn1 683197562 QVLILVJJWDNMFO-UHFFFAOYSA-N 270.340 1.656 0 50 CDAA O=C(O)C[C@@H]1CN(CC2=CCCCC2)C[C@@H]1c1cnn[nH]1 1076026449 LSSKGZUMYCNIOK-OLZOCXBDSA-N 290.367 1.795 0 50 CDAA CCOC(=O)NCCC(=O)N[C@H](CO)c1ccsc1 225390240 UXGRGOUUFRYQEV-SNVBAGLBSA-N 286.353 1.034 0 50 CDAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2CO)cn1 189631645 UJDBEIUGXRYQIE-GXFFZTMASA-N 278.356 1.843 0 50 CDAA CCO[C@H]1C[C@H](N(C)Cc2nnn(C)n2)C12CCCCC2 192985724 ULVLLCGIXCFXTP-STQMWFEESA-N 293.415 1.770 0 50 CDAA Cc1ccc(CC(=O)N[C@@](C)(C(N)=O)c2ccccc2)cn1 195193208 VAYWXHADHBASAF-QGZVFWFLSA-N 297.358 1.449 0 50 CDAA CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCc2cccnc21 195417483 TZLIBCIVPIORHH-AWEZNQCLSA-N 284.363 1.894 0 50 CDAA CC[C@@H](CO)NC(=O)N[C@H](C)c1c(C)noc1C 195571540 JUZPLQILWDAKQY-XCBNKYQSSA-N 255.318 1.423 0 50 CDAA O[C@@H](c1ccccc1)C1CCN(C[C@H]2COCCO2)CC1 751030079 IKFLYIVPTZCLGE-IRXDYDNUSA-N 291.391 1.847 0 50 CDAA O=C(NCc1ncc[nH]1)c1cccc2c1OCCO2 70989971 QGLRIFPSZKSOMI-UHFFFAOYSA-N 259.265 1.111 0 50 CDAA Cc1nn(C)cc1NC(=O)[C@H]1CCCCCN1C 1506407594 KDYCDCMUCXNDPW-GFCCVEGCSA-N 250.346 1.541 0 50 CDAA CN1CCCC[C@@H]1CC(=O)NC1(CO)CC=CC1 1857686277 OPJKDPXAQCCNSH-GFCCVEGCSA-N 252.358 1.058 0 50 CDAA CN(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccccc1 858966 VLEJSVXWQQVRQO-KBPBESRZSA-N 282.409 1.838 0 50 CDAA CCc1cnc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)s1 224739388 ZQCJCJOOTUJNPN-SFYZADRCSA-N 254.311 1.042 0 50 CDAA O=C(NC[C@H]1CCC[C@@H]1O)c1ccc(C(F)(F)F)[nH]1 450022211 AWDCIAHSMZIUDQ-APPZFPTMSA-N 276.258 1.924 0 50 CDAA Cc1nc(N2CCCC2)nc(NCCN(C)CCO)c1C 1704339104 DCEUTAGIPHSUAJ-UHFFFAOYSA-N 293.415 1.030 0 50 CDAA CSCC[C@@H](CO)Nc1nc(C)ncc1Cl 1704325066 CNDNXNLFQVZVDK-QMMMGPOBSA-N 261.778 1.964 0 50 CDAA COc1ccccc1N1CCN(CCCOCCO)CC1 2015729 CXTBTNLJQDHUKK-UHFFFAOYSA-N 294.395 1.216 0 50 CDAA C=CC(=O)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 1875367337 CGFCKYBJDXBGAL-OAHLLOKOSA-N 298.383 1.705 0 50 CDAA COc1ccc(-c2nnc3n2CCOC3)cc1OC 562879141 CEDMPNXQCJADGK-UHFFFAOYSA-N 261.281 1.493 0 50 CDAA COC(=O)[C@@H]1CN[C@@H]2Cc3cccc(OC)c3C[C@H]2C1 150025771 ZBWWOTROKLWPOH-MBNYWOFBSA-N 275.348 1.561 0 50 CDAA O=C(N[C@]1(C(=O)O)C[C@H](O)C1)c1cccc(Cl)c1 1601576990 IBGVZRIFBWUVNS-WVSHTKLVSA-N 269.684 1.048 0 50 CDAA CCOC(=O)[C@@H]1CNCC[C@H]1NC(=O)OC(C)(C)C 261215682 JEBCWKBYGDSWFR-NXEZZACHSA-N 272.345 1.052 0 50 CDAA COc1ccc(CN(C)C(=O)[C@H]2CSCN2)cc1C 157486715 PZSUHWIEBYILTD-GFCCVEGCSA-N 280.393 1.625 0 50 CDAA CN(Cc1ccc2c(c1)nnn2C)C1(C(=O)O)CCCC1 1615554389 NIYZRPJKMZARQA-UHFFFAOYSA-N 288.351 1.798 0 50 CDAA CO[C@@H]1CC[C@H](C)N(C(=O)c2cnn3ccc(N)cc23)C1 1615548113 QSARRGSEHBLWSE-CMPLNLGQSA-N 288.351 1.556 0 50 CDAA C[C@@H]1CN(C(=O)c2ccnc(C3CCCC3)n2)CC(=O)N1 1615627151 AGWWMSAFNHDPBT-SNVBAGLBSA-N 288.351 1.095 0 50 CDAA c1cnc([C@@H]2CCN(c3ccc4nccnc4n3)C2)cn1 1640453345 UCKKMLWJAJTDRI-LLVKDONJSA-N 278.319 1.809 0 50 CDAA C[C@]12C[C@H]1CN(C(=O)CN1CCc3ccccc3C1)C2 1775981681 MUKAIYMWCHCGAC-DOTOQJQBSA-N 270.376 1.913 0 50 CDAA OC[C@]12CNC[C@@H]1CN(CCCOc1ccc(F)cc1)C2 1772710807 WRMMOBREASERSA-CZUORRHYSA-N 294.370 1.108 0 50 CDAA CC(C)NC[C@@]1(O)CCCN(Cc2ccccc2F)C1=O 12716971 JJJSGDCWIPMPLN-INIZCTEOSA-N 294.370 1.677 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)c(C)c1 13124463 DFDSXSIGTTWVGK-LLVKDONJSA-N 285.307 1.417 0 50 CDAA CC(=O)Oc1cccc(C(=O)N2C[C@H](C)O[C@H](C)C2)c1 16488792 ABBJAMFPUZHSDU-PHIMTYICSA-N 277.320 1.861 0 50 CDAA Cc1cccc(C)c1OCCOCCNCCN 19772396 LQNWONRPSPKMJA-UHFFFAOYSA-N 252.358 1.247 0 50 CDAA COc1ccc(C(=O)O[C@@H](C)CN2CCOCC2)cc1 19928421 CWDHPEPIPPEJOC-LBPRGKRZSA-N 279.336 1.573 0 50 CDAA O=C(CSc1ncn(-c2ccccc2)n1)N1CCCC1 5059432 XLRWNDMMRZOTLZ-UHFFFAOYSA-N 288.376 1.982 0 50 CDAA CCOC(=O)c1c(C(=O)OC)noc1C(F)(F)F 169795023 ZVELBLLQEGSLLL-UHFFFAOYSA-N 267.159 1.657 0 50 CDAA CCCCN1C(=O)NC(=O)/C(=C\c2ccc[nH]2)C1=O 2282681 UIFMHNMOUHPZQN-CSKARUKUSA-N 261.281 1.277 0 50 CDAA Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H]1CCCO1 2943444 BSMHVYYUHBOQSU-SNVBAGLBSA-N 296.754 1.882 0 50 CDAA COCCNC(=O)c1cc(-c2ccc(OC)cc2)on1 3907838 MBPCWBIWTZQTFR-UHFFFAOYSA-N 276.292 1.726 0 50 CDAA O=C(N[C@H]1CCO[C@@H]1c1cc[nH]n1)c1ccc(Cl)cn1 1857530550 PHRMSFKZWQUVRF-CABZTGNLSA-N 292.726 1.718 0 50 CDAA Cc1ccc(C2(O)CCN(c3cncc(N)n3)CC2)nc1 1857678784 ANVIREUFRULAER-UHFFFAOYSA-N 285.351 1.250 0 50 CDAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)ccc1F 1857719289 IRLVQODUXBLCTN-YUTCNCBUSA-N 292.354 1.726 0 50 CDAA Cc1c(C(=O)N2CC[C@@H](c3cc[nH]n3)C2)nc2ccccn12 1857720588 AMDSSGQTHVJZOW-GFCCVEGCSA-N 295.346 1.996 0 50 CDAA CCc1nccc(-c2nccn2-c2cccc(C(N)=O)c2)n1 1857734027 AMGQNAVXCVDTFR-UHFFFAOYSA-N 293.330 1.991 0 50 CDAA O=C(c1ccncc1F)N1CCO[C@@H](COCC2CC2)C1 548582276 YSZWTIUERXMHND-GFCCVEGCSA-N 294.326 1.488 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(CCc3ccco3)n2CC1 601043906 KDKQUPGBFSZQDS-LLVKDONJSA-N 289.335 1.782 0 50 CDAA Cc1ccc([C@H](O)[C@@H](C)n2cc(Cn3cncn3)nn2)cc1 849150595 DXFPHOSPVXOVFY-IUODEOHRSA-N 298.350 1.521 0 50 CDAA Cc1ccc(N2C(=S)N(C)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 1110222 RWFBXSWDPBZFRJ-NEPJUHHUSA-N 296.417 1.197 0 50 CDAA CNc1nc(C)cc(C(=O)NCC(C)(C)C[C@H](C)O)n1 225505633 BOLXZVHAGPREDH-JTQLQIEISA-N 280.372 1.354 0 50 CDAA CC(C)CO[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1 236637081 VIQRJLUTKATOKR-CVEARBPZSA-N 290.407 1.830 0 50 CDAA O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(CO)c(F)c1 252481769 CROOXCWKLANVES-LLVKDONJSA-N 292.354 1.532 0 50 CDAA Nc1nc2c(s1)CN(C(=O)c1ccccc1)CC2 19961815 YTQJRKQYVDFSGS-UHFFFAOYSA-N 259.334 1.924 0 50 CDAA in-vitro COc1ncc(C(=O)NC2CCC(F)(F)CC2)cn1 575609032 XPJCDLKRVIKDHB-UHFFFAOYSA-N 271.267 1.793 0 50 CDAA C[C@H]1CN(C(=O)c2cc(F)cc3nccnc23)C[C@@H](C)N1 153594598 MNCQXMDLBMQFDV-AOOOYVTPSA-N 288.326 1.591 0 50 CDAA CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@@H]1O 34184471 XEPZKCVKBIJDII-KBPBESRZSA-N 263.337 1.433 0 50 CDAA in-vitro Cc1n[nH]c(C)c1CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704309005 UYFLQUPPXWWSPC-HZPDHXFCSA-N 292.427 1.305 0 50 CDAA CCn1cc(NC(=O)[C@@H]2NCCOc3ccccc32)cn1 912477771 CODZJVMJKBVJPU-CQSZACIVSA-N 286.335 1.565 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)N(C)C1CC1 912401902 DJZMWFHLRCWSLA-OAHLLOKOSA-N 260.337 1.416 0 50 CDAA CN(C)c1nc(Cl)c(C(=O)N2CCC23COC3)s1 854840698 USVFKAMSMKPOTE-UHFFFAOYSA-N 287.772 1.477 0 50 CDAA Cc1cccc(O[C@@H](C)C(=O)NCCN(C)C)c1 4832728 PSDSWADHTOYFLP-LBPRGKRZSA-N 250.342 1.440 0 50 CDAA CCc1ccccc1C(=O)N(CCN(C)C)CC(=O)O 230736834 OELWVIGJBUVSHE-UHFFFAOYSA-N 278.352 1.337 0 50 CDAA CN(C)S(=O)(=O)N(C)CC12CC3CC(CC(C3)C1)C2 12413964 OUNHTAXFJQJTFV-UHFFFAOYSA-N 286.441 1.941 0 50 CDAA COCc1cccc(C(=O)N2CC[C@@H](N)C[C@H]2C)c1 237223026 VTNMKXTUTNQXDW-BXUZGUMPSA-N 262.353 1.785 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C1(CO)CC1 253417531 RYPPQLNYGGAXTC-GFCCVEGCSA-N 274.364 1.421 0 50 CDAA CCOC(=O)N1CCN(CC(=O)c2ccccc2)CC1 36372797 JPIATYLMBQEIQM-UHFFFAOYSA-N 276.336 1.643 0 50 CDAA COc1nccc(CN2CC[C@H](O)CC(C)(C)C2)n1 295233256 OEFMBRDUZHSMBZ-LBPRGKRZSA-N 265.357 1.468 0 50 CDAA CC(C)n1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)n1 571805725 DWGNBUQLNGWVOD-NHCYSSNCSA-N 277.324 1.542 0 50 CDAA CO[C@H]1CCCN(c2ncc(C(=O)O)cn2)CC1 649392464 NYGLKKMIJOKLHW-JTQLQIEISA-N 251.286 1.180 0 50 CDAA CCOC(=O)c1ccncc1C(=O)Nc1nccs1 1075730 OYIFOLIYRNDRNL-UHFFFAOYSA-N 277.305 1.967 0 50 CDAA Cc1nn[nH]c1C(=O)N1CCN(C)C[C@@H]1Cc1ccccc1 846510308 IIYOEGFYOOHZOF-AWEZNQCLSA-N 299.378 1.112 0 50 CDAA CSCCCNC(=O)c1cnc2ccnn2c1C 2325790184 WMWKCEKXJSULPH-UHFFFAOYSA-N 264.354 1.521 0 50 CDAA Cn1cc(C(=O)N(Cc2nn[nH]n2)C2CC2)c2ccccc21 2325806800 HGDYKTZXAVUOHK-UHFFFAOYSA-N 296.334 1.496 0 50 CDAA O=C(NS(=O)(=O)c1cscn1)c1coc(C2CC2)n1 2325821685 PSFGKVNBEWAHNB-UHFFFAOYSA-N 299.333 1.127 0 50 CDAA CO[C@H]1C[C@H](OC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)C1 861301898 XMIOUPLZFFUYAV-XSPKLOCKSA-N 295.257 1.164 0 50 CDAA C=CS(=O)(=O)Cc1ccc(CS(=O)(=O)C=C)cc1 402541 GYUACAUXBRGNBU-UHFFFAOYSA-N 286.374 1.803 0 50 CDAA COc1cccc([C@H](C)NC(=O)c2cnccn2)c1 476130 HCQGTQVQBJFJQU-JTQLQIEISA-N 257.293 1.976 0 50 CDAA Cc1ccc(N(CC(=O)O)[C@H]2SC(=O)NC2=O)cc1 969692 GXHNVKMHIPKMAK-NSHDSACASA-N 280.305 1.195 0 50 CDAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 1856481 FPJDSGXSDUWPCQ-SECBINFHSA-N 256.346 1.958 0 50 CDAA CSc1nnc(-c2cccnc2)n1CCCO 10312614 OYOGQZAPFYGQIC-UHFFFAOYSA-N 250.327 1.444 0 50 CDAA Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccccc1 10314521 FRLRNANLHBTFME-UHFFFAOYSA-N 290.344 1.895 0 50 CDAA CC(C)[C@@H](C(=O)N1CCO[C@H](C)C1)N1C[C@H](C)O[C@@H](C)C1 248295748 XCIPGCDUKDMRPF-QPSCCSFWSA-N 298.427 1.368 0 50 CDAA O=C(Nc1cnc2n1CCCC2)[C@@H]1CC12CCNCC2 67654568 WPASLITXQFWLTB-NSHDSACASA-N 274.368 1.548 0 50 CDAA Cc1cc(=NC(=O)NCCC(=O)OC(C)C)[nH]n1C(C)C 421187715 WJOCEMMINYHRGP-UHFFFAOYSA-N 296.371 1.658 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)N(C[C@H]2CCCN2)C2CC2)C1 249134626 UESOBKZPHSOEKD-YNEHKIRRSA-N 265.401 1.247 0 50 CDAA Cc1nc2sccn2c1C(=O)N1[C@H]2CC[C@@H]1CCNC2 65370106 JIAXUBFXZQPCJU-MNOVXSKESA-N 290.392 1.671 0 50 CDAA O=C(CCOc1ccc(F)cc1)N1C[C@@H](F)C[C@@H]1CO 348804353 YAFXBFAHVUZDSE-NWDGAFQWSA-N 285.290 1.526 0 50 CDAA CC(C)[C@@H](CC(=O)O)NC(=O)Cc1ccc(N(C)C)cc1 219274726 IZXUGMVWNYRZJE-CQSZACIVSA-N 292.379 1.911 0 50 CDAA COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)O)cc1OC 252372640 KRWCATPNOOYSQM-JMJZKYOTSA-N 293.319 1.602 0 50 CDAA CC[C@@H](C)n1nccc1NC(=O)C1=NNC(=O)CC1 65528092 RPTLYMBMFOWSJL-MRVPVSSYSA-N 263.301 1.059 0 50 CDAA CCNc1ccnc(N(C)C[C@H](C)N2CCOCC2)n1 65500856 FECDPKLJMAIVNV-LBPRGKRZSA-N 279.388 1.065 0 50 CDAA CCN1CCN(CCOc2cccc(C)c2C)C(=O)C1=O 33359717 AMYNISOHKIHZCD-UHFFFAOYSA-N 290.363 1.373 0 50 CDAA CC(=O)[C@H]1[C@H](c2cccnc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 34798095 ZJZDWFLRWJXMLK-WCVJEAGWSA-N 289.331 1.299 0 50 CDAA biogenic C[C@@H](Oc1ccccc1F)c1ccnc2nc(N)nn12 1401851 HPWRHVHKMDGSHR-MRVPVSSYSA-N 273.271 1.986 0 50 CDAA COC(=O)c1ccc2c(=O)n3c(nc2c1)SCCC3 1430275 QHESFROOEZPTFF-UHFFFAOYSA-N 276.317 1.679 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)C2(C(=O)O)CC2)C1(CC)CC 154969340 OUHHHXVIESUBFQ-MNOVXSKESA-N 283.368 1.951 0 50 CDAA CC(F)(F)CC(=O)N1CCCC[C@@H]1CN1CCOCC1 328587893 IETKZCQSAWFBMW-GFCCVEGCSA-N 290.354 1.745 0 50 CDAA COc1cc(C(=O)C[S@@](C)=O)cc(OC)c1OC 71771462 VPIOLYAPZNACCB-SFHVURJKSA-N 272.322 1.274 0 50 CDAA COCCCN1CCC[C@H]1CN(C(C)=O)C1CC1 328638554 PDUDYAXVFGMHLB-AWEZNQCLSA-N 254.374 1.498 0 50 CDAA Cc1noc(C)c1C(=O)N(C)C[C@H]1CCn2ccnc2C1 328631263 QSIHTUGYYQCGNL-LBPRGKRZSA-N 288.351 1.823 0 50 CDAA CC[C@H](NCC1CCS(=O)(=O)CC1)C1CCOCC1 329198390 WOJPTSSIOYXRRI-AWEZNQCLSA-N 289.441 1.606 0 50 CDAA COc1ccc(Cn2c(=O)[nH]c3c(c2=O)CCCC3)cc1 71863978 NAACATHGRJGTKN-UHFFFAOYSA-N 286.331 1.472 0 50 CDAA CC(C)O[C@H]1C[C@@H](NC(=O)N[C@@H]2CCOC[C@@H]2C)C1 332483972 QBFGKLSBYFTQOM-WUHRBBMRSA-N 270.373 1.667 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2ccoc2Cl)C1 236439544 ULMJGSHWYZXXBR-SSDOTTSWSA-N 257.673 1.870 0 50 CDAA Cc1nc(CCN(C)CC(C)(C)CN2CCCC2)no1 215900609 YDVVYGPEKLCAPE-UHFFFAOYSA-N 280.416 1.974 0 50 CDAA CC(C)Nc1ncccc1C(=O)N[C@H](C)C(=O)O 236757851 ZRAOPPYRBIJMCF-MRVPVSSYSA-N 251.286 1.105 0 50 CDAA O=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)OCCO2 35636071 LUVXHMJTVXZFPD-ZDUSSCGKSA-N 288.347 1.282 0 50 CDAA in-vitro C[C@H](CN(C)C(=O)c1ccn(C2CCCC2)n1)C(=O)O 237582673 FKYXFNLOUUZDLN-SNVBAGLBSA-N 279.340 1.791 0 50 CDAA Cc1noc(C)c1Cn1ccnc1-c1cc2n(n1)CCNC2 72407019 VMHOLZJGBWWMMP-UHFFFAOYSA-N 298.350 1.503 0 50 CDAA Cc1ccc(NC(=O)CN2C[C@@H](C)CS2(=O)=O)c(C)c1 334965138 QRDNKFMHNLGJPK-LLVKDONJSA-N 296.392 1.523 0 50 CDAA O=C1CCCC[C@@H](C(=O)N2CCc3c(F)ccc(F)c32)N1 335827290 IQRCCEONMFNSJW-LBPRGKRZSA-N 294.301 1.913 0 50 CDAA O=C1CCC[C@H](CC(=O)N2CC(c3ccccc3F)C2)N1 335817970 IFZMOIXTEKDNCG-GFCCVEGCSA-N 290.338 1.810 0 50 CDAA Cc1nnsc1CN1CCCC[C@H]1CN1CCOCC1 77355002 QULTZHOASDABGL-ZDUSSCGKSA-N 296.440 1.533 0 50 CDAA CCOC(=O)C(=O)c1cc(OC)c(OC)c(OC)c1 43209651 AXRCXDFRVQRVDY-UHFFFAOYSA-N 268.265 1.458 0 50 CDAA Cc1cnn(CCCNC(=O)[C@@H](O)c2cccc(F)c2)c1 223269999 FXJZKYCJYPWIET-AWEZNQCLSA-N 291.326 1.571 0 50 CDAA c1ccc2c(c1)C[C@H](CNc1ncncn1)CCO2 222240533 WAFJXKHAUJJPOB-LLVKDONJSA-N 256.309 1.925 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)CC[C@H]2CCCOC2)C1 178267106 FSBIJOWQFWRCBE-MNOVXSKESA-N 255.314 1.126 0 50 CDAA Cc1nnc(CCNC(=O)C[C@H](C)n2ccnc2C)s1 426495568 DWRLXKWTNJFIBP-VIFPVBQESA-N 293.396 1.661 0 50 CDAA CO[C@H]1CCCN(C(=O)Cc2ccc(OCCN)cc2)C1 426728189 FKAKEQUROCLNMY-HNNXBMFYSA-N 292.379 1.204 0 50 CDAA Cc1cccc2c1cc(C(=O)N1CC=C[C@@H]1C(=O)O)n2C 426477398 NJSJGQKSJLTCAQ-CYBMUJFWSA-N 284.315 1.952 0 50 CDAA CN1CC[C@@H](CN(C)C(=O)Cc2ccsc2)C1 223888740 CFXFKFCALAJIPC-GFCCVEGCSA-N 252.383 1.701 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)NCc1nccn1C 426420363 QBROWDQZDAVSRK-GFCCVEGCSA-N 280.372 1.521 0 50 CDAA CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCCC1 238119825 WSFRQNIACWWUSE-JTQLQIEISA-N 286.397 1.919 0 50 CDAA Cc1ccnc(N2CCC[C@@H](c3nc(N(C)C)no3)C2)n1 239667889 BRURYQLHCYEIMK-LLVKDONJSA-N 288.355 1.618 0 50 CDAA C[C@]1(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CCCO1 426730342 GMYIDNPBKNPIST-OAHLLOKOSA-N 286.335 1.657 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)c2ncco2)C1 238130780 COOMDGHFOZBHLP-UWVGGRQHSA-N 268.313 1.965 0 50 CDAA Cc1cccc2c1N(C(=O)Cc1ccn(C)n1)CC2 181080231 VBAZSURRMPJCDH-UHFFFAOYSA-N 255.321 1.860 0 50 CDAA Cc1c(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)cnn1C 267473077 TUYLOJYINWBIIK-DGCLKSJQSA-N 265.357 1.519 0 50 CDAA O=C1C[C@@H](NNc2ccccc2)C(=O)N1c1ccccc1 95532010 HYALHRNUPPOXRO-CQSZACIVSA-N 281.315 1.935 0 50 CDAA O=C(CCCN1CCCCC1)NCCc1c[nH]cn1 95360202 SYPWDSFMIZZUPV-UHFFFAOYSA-N 264.373 1.335 0 50 CDAA Cc1c[nH]c(CN(C)CCn2cc(Cl)cn2)n1 244594158 DHMBWMZEOAEUEQ-UHFFFAOYSA-N 253.737 1.700 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](CC(=O)O)C2)O1 299752457 UEKJXNQXKLJMCV-IJLUTSLNSA-N 285.340 1.036 0 50 CDAA CC(C)c1cccc(CN2CCC([C@H](O)C(N)=O)CC2)n1 299748246 GORQNHQZIRCBLK-HNNXBMFYSA-N 291.395 1.263 0 50 CDAA c1cnc2nc(CN3CCOC4(CCCC4)C3)nn2c1 252488903 JBKCBEDQXXVXJY-UHFFFAOYSA-N 273.340 1.269 0 50 CDAA Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCCO)cc1 184890009 ZCOCACMOFVUOKA-GJZGRUSLSA-N 297.420 1.662 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 268962415 AHFYYJDQBFHOAI-AGIUHOORSA-N 293.294 1.241 0 50 CDAA COCC1(C(=O)N2C[C@@H]3CC[C@H]2CNC3)CCC1 534647991 XFDSGMPHOVOFQF-NEPJUHHUSA-N 252.358 1.014 0 50 CDAA CCc1csc(CCNC(=O)c2ccon2)n1 299793588 HHYKGNKTYLNTEB-UHFFFAOYSA-N 251.311 1.666 0 50 CDAA COc1ccc(NC(=O)N2CC[C@H]3CNC[C@H]32)c(C)c1 299798429 RZYPQNIQXKNUQN-SMDDNHRTSA-N 275.352 1.829 0 50 CDAA CN(Cc1cccc2cnccc12)C(=O)C(=O)N1CCCC1 299756630 GEVHPFDPFAXGPK-UHFFFAOYSA-N 297.358 1.816 0 50 CDAA CC[C@@H](C)Cc1nc(C2(C(N)=O)CC2)n(-c2cccnc2)n1 822620027 MIVIPULKOZHRRR-LLVKDONJSA-N 299.378 1.768 0 50 CDAA CCCCc1ncc(CN2CCOC[C@H](CN(C)C)C2)[nH]1 584900522 OAKCLQXLXQVIQK-CQSZACIVSA-N 294.443 1.762 0 50 CDAA O=C(O)c1cccc(CNC(=O)c2cnn(CC3CC3)c2)c1 630134054 NGJBZQBRJAPJIH-UHFFFAOYSA-N 299.330 1.921 0 50 CDAA CN1CC[C@H](Cn2cnc3cccc(F)c3c2=O)C1 584889179 FVCAVHJQTDTRAH-JTQLQIEISA-N 261.300 1.487 0 50 CDAA CO[C@@]1(C(=O)O)CCN(C(=O)c2cc(C)c(F)c(C)c2)C1 630255306 IDEMMYPCJILCPV-HNNXBMFYSA-N 295.310 1.758 0 50 CDAA C[C@@H](CC(=O)O)N1CCN(C(=O)CC2=CCCCC2)CC1 630223145 KFERWDASGMCILQ-ZDUSSCGKSA-N 294.395 1.884 0 50 CDAA CC(C)C(=O)N1CCC[C@@H](NC(=O)c2cccc(O)n2)C1 670472249 KCJNQDAEKMJJQP-LLVKDONJSA-N 291.351 1.164 0 50 CDAA CCCc1noc(CN(C)c2ncnc3[nH]ccc23)n1 670451849 LSCWNMBBQKYTEX-UHFFFAOYSA-N 272.312 1.930 0 50 CDAA O=C1OC[C@@H]2CN(Cc3noc(C4CCCC4)n3)CCN12 670452317 AGHJHTWJULZXAI-NSHDSACASA-N 292.339 1.364 0 50 CDAA O=C(NC1CC1)c1ccc(OC[C@H]2CCCNC2)cc1 66323494 OLUZGBVUIVZMMK-LBPRGKRZSA-N 274.364 1.957 0 50 CDAA in-vitro COC(C)(C)c1cn(CCN2CCCCC2)nn1 952883724 ZDXMZVIFJKWLEO-UHFFFAOYSA-N 252.362 1.646 0 50 CDAA O=C1C[C@@H](CN=c2ccc(F)n[nH]2)CN1c1ccccc1 1875288117 NUMOTGVZMUTIQE-NSHDSACASA-N 286.310 1.503 0 50 CDAA Cc1ccc2c(C(=O)N(C)[C@H]3CCN(C)C3=O)ccnc2c1 1875324775 AHPPGOABMXSMPM-HNNXBMFYSA-N 297.358 1.846 0 50 CDAA OC[C@H]1CCCCN1CCNc1ncnc2[nH]ccc12 952963273 IOKKTOJNFCNRPM-LLVKDONJSA-N 275.356 1.217 0 50 CDAA CC(C)CN1CCN(C(=O)c2cc[nH]c2)C[C@@H]1CCO 952967175 KVJOYBSLCBHBBR-AWEZNQCLSA-N 279.384 1.180 0 50 CDAA Cc1nnc([C@H]2CN(Cc3cc[nH]c3)C[C@@H](C)O2)o1 886077976 SSCRMRFLMKSZNX-BXKDBHETSA-N 262.313 1.668 0 50 CDAA O=C(N[C@H](c1ccncc1)C1CC1)c1cnn2c1OCCC2 890906566 HZJCWCBKJFHNHN-AWEZNQCLSA-N 298.346 1.942 0 50 CDAA C[C@H]1C[C@@H]1n1c(-c2cnccn2)nnc1N1CCCC1 1411714888 GIWMJPGAJGQSHA-JQWIXIFHSA-N 270.340 1.916 0 50 CDAA C[C@H](O)C[C@H](C)NC(=O)c1cc(-c2ccncc2)[nH]n1 1775997946 PTZVRZQOTCNYSV-UWVGGRQHSA-N 274.324 1.361 0 50 CDAA CN1C[C@H](NC(=O)[C@H]2CSCCS2)C(C)(C)C1 1363641183 KJHPLTBYWVSCQP-ZJUUUORDSA-N 274.455 1.291 0 50 CDAA CC(C)[C@H](NC(=O)c1ccnc(-c2ccccc2)n1)C(=O)O 1588958682 ORSGKJJJMMYGRJ-ZDUSSCGKSA-N 299.330 1.983 0 50 CDAA COC[C@@H]1CCC[C@@H]1NC(=O)Cc1cccc(O)c1 1074615528 JEHUOAHCEYPDAF-JSGCOSHPSA-N 263.337 1.866 0 50 CDAA COCc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)c1 170757140 FBPKRWTXSUUYNB-STQMWFEESA-N 277.320 1.258 0 50 CDAA C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@@H](C)OCC2(C)C)C1 222116766 DZAPLTOPLKIUME-MGPQQGTHSA-N 282.428 1.990 0 50 CDAA CCOC[C@H]1CCCN(C(=O)c2cnc(OCC)cn2)C1 188005988 QUBCCFCTDYJQON-LBPRGKRZSA-N 293.367 1.764 0 50 CDAA CCO[C@@H]1C[C@](CO)(NC(=O)c2cc(C)no2)C1(C)C 188836172 PKKZOGBFSSHOQC-BXUZGUMPSA-N 282.340 1.279 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)cn1 190002544 LZZNVOMCTFQWTJ-UONOGXRCSA-N 286.335 1.384 0 50 CDAA CCCNc1ccccc1NC(=O)[C@@H]1CCC(=O)N1 190121670 PMWYAOYMZGOSJM-LBPRGKRZSA-N 261.325 1.726 0 50 CDAA Cc1occc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 643752927 XGLAWPIRVATHDR-OAHLLOKOSA-N 280.368 1.393 0 50 CDAA NC(=O)N1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 191666161 WQWGXCLHLVGISY-CQSZACIVSA-N 287.363 1.837 0 50 CDAA CC(C)OC[C@H](O)CN1C(=O)N[C@](C)(C(C)(C)C)C1=O 193848822 KAULIVBBXVLQOT-YGRLFVJLSA-N 286.372 1.129 0 50 CDAA CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)O)cc2F)CO1 659168320 VRCNPXFQZXHEOU-SECBINFHSA-N 281.283 1.821 0 50 CDAA CCC(CC)(CNC(=O)[C@H]1CCCO[C@H]1C)C(=O)O 668280270 RXLWTEORUSLSHF-QWRGUYRKSA-N 271.357 1.809 0 50 CDAA COc1ccc(Cl)cc1Cn1cc(C(N)=O)nn1 772933953 QDQPRYZJEHLKDO-UHFFFAOYSA-N 266.688 1.087 0 50 CDAA Cc1cc(F)c(C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1F 677980100 XIEGQHYTHPLJRI-JTQLQIEISA-N 294.301 1.720 0 50 CDAA Cc1ccc(O)cc1C(=O)N1C[C@H](C)N(C)C[C@@H]1C 585135288 AGBYZSGOMGHARG-RYUDHWBXSA-N 262.353 1.865 0 50 CDAA O=C(NCc1nccn1CCc1ccccc1)[C@H]1C[C@@H](O)C1 585121998 JLOZYPXVVWLTMG-GASCZTMLSA-N 299.374 1.513 0 50 CDAA Cc1cc(C[C@@H]2CN(Cc3ccccn3)C[C@H]2O)n[nH]1 1529172419 HFUOUKCMISVJGK-IUODEOHRSA-N 272.352 1.149 0 50 CDAA O[C@@H]1CN(CC2CCCCC2)C[C@H]1Cc1cnccn1 1529151165 GWYQYCBFVUFNER-GDBMZVCRSA-N 275.396 1.892 0 50 CDAA CC[C@@H](C)CC(=O)N1CCN([C@H](C)CC(=O)O)CC1 630220057 LNHLIYIGUBUWTI-VXGBXAGGSA-N 270.373 1.430 0 50 CDAA CCCc1nnc(SCC(=O)Nc2nccs2)n1N 5605617 XMCQKYMCJDNZRF-UHFFFAOYSA-N 298.397 1.132 0 50 CDAA COC(=O)[C@@H]1[C@@H](O)CCCN1C[C@@H]1CC=CCC1 252549060 QRDSPMVLVNJYBD-AGIUHOORSA-N 253.342 1.341 0 50 CDAA CC(=O)NC1CCN(Cc2cncn2C(C)C)CC1 215690836 LJNHZOJFIJIFIU-UHFFFAOYSA-N 264.373 1.565 0 50 CDAA C[C@H](N)C(=O)N(CCN(C)C)Cc1ccccc1F 157674278 JPGMCEAQEJASBB-NSHDSACASA-N 267.348 1.063 0 50 CDAA C=C=CCNS(=O)(=O)c1cccc2c1OCC2 583651144 GAYYABUZUJUXEY-UHFFFAOYSA-N 251.307 1.241 0 50 CDAA Cc1nc(C(C)(C)NC(=O)[C@@H](C)n2cccn2)no1 264105433 ASKFPNRADQVNIJ-MRVPVSSYSA-N 263.301 1.187 0 50 CDAA O=C(NCCCN1CCOCC1)Nc1ccccc1 19681761 SFDIUGQLRUPHID-UHFFFAOYSA-N 263.341 1.530 0 50 CDAA O=C(O)c1cccc(C(=O)O)c1I 1559267 PBIDRTDEJPAXHY-UHFFFAOYSA-N 292.028 1.688 0 50 CDAA in-vitro Cc1cc(C)c(NC(=O)CSc2nncn2N)c(C)c1 5554956 VIDHYKUOAIZYNB-UHFFFAOYSA-N 291.380 1.648 0 50 CDAA CCOc1cc(C(=O)NC2(C(=O)O)CC2)ccc1C 236889327 BSHKUUUNJAKPEZ-UHFFFAOYSA-N 263.293 1.741 0 50 CDAA CNC(=O)C1(C(=O)Nc2cc(C(=O)O)ccc2F)CCC1 678982122 DUJXFWFBVXGXPP-UHFFFAOYSA-N 294.282 1.379 0 50 CDAA O=S(=O)(Nc1ccc(-c2cn[nH]c2)cc1)N1CCCC1 1875280948 HYBBWAMAUBNLPT-UHFFFAOYSA-N 292.364 1.829 0 50 CDAA Cc1cnc2c(c1)N(C(=O)c1cnc(N(C)C)cn1)CCO2 904075830 JOPZNPJGWHDAHI-UHFFFAOYSA-N 299.334 1.285 0 50 CDAA Cc1cc(CNC(=O)[C@@]23CCCC[C@H]2OCC3)no1 930659399 LTHQFECGAYQTFY-TZMCWYRMSA-N 264.325 1.949 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1CC12CCOCC2 128613952 SGYHZWIRWFRIDG-WDEREUQCSA-N 267.325 1.269 0 50 CDAA O=C(O)[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccccc1 238021256 GXFJEMCAAHTNPV-JHJVBQTASA-N 259.305 1.975 0 50 CDAA COCCCNS(=O)(=O)c1ccc(OC)c(Cl)c1 30288682 ZMDNRHOQMBAECC-UHFFFAOYSA-N 293.772 1.663 0 50 CDAA COc1ccccc1N1CCN(Cc2cc[nH]n2)CC1 157408395 HSFLMQVICQCYBY-UHFFFAOYSA-N 272.352 1.741 0 50 CDAA CN1CCCC[C@H]1C(=O)NC1(CC(=O)O)CCCCC1 426496895 KPVKIHCKLDHPAB-LBPRGKRZSA-N 282.384 1.765 0 50 CDAA COCc1noc(CNC2CSCCSC2)n1 534590045 LBGIINBAOOWVJN-UHFFFAOYSA-N 275.399 1.154 0 50 CDAA Cc1ccnc(Cn2cnc3c(C)csc3c2=O)n1 447298749 KHUJYQZRUWTDLH-UHFFFAOYSA-N 272.333 1.913 0 50 CDAA CCCN(C(=O)c1ccc(C(=O)O)cc1)[C@H]1CCNC1 583875297 CWRAXWODDAHREA-ZDUSSCGKSA-N 276.336 1.599 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N(C)[C@@H](C)CC(N)=O 952979920 PJFWSJSXBVRIAL-VIFPVBQESA-N 288.344 1.019 0 50 CDAA O=C(N=c1cc2n([nH]1)CCC2)c1ccc2nonc2c1 2325786809 FTGIRYBKZHOULI-UHFFFAOYSA-N 269.264 1.040 0 50 CDAA O=C(Nc1ncc(C2CC2)o1)C1Cc2nccnc2C1 2325800034 IUHJTYTUAVTGMW-UHFFFAOYSA-N 270.292 1.696 0 50 CDAA N[C@H](C(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccns1 2325829489 KYXZTBNXRCRKEG-CABZTGNLSA-N 297.380 1.246 0 50 CDAA CCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1 42378 APNJKCIWFNJLTA-UHFFFAOYSA-N 268.381 1.335 0 50 CDAA O=S1(=O)N=C(N2CCCCC2)c2ccccc21 60420 IMEAJVFQWMDASR-UHFFFAOYSA-N 250.323 1.621 0 50 CDAA CCC1=NN(C(=O)c2cccnc2)[C@@](O)(c2ccncc2)C1 302317 NUJILRVRKUMSAV-INIZCTEOSA-N 296.330 1.934 0 50 CDAA CC(C)CC(=O)NC(=S)Nc1ccccc1C(N)=O 307966 YQXALGBACGCTGI-UHFFFAOYSA-N 279.365 1.645 0 50 CDAA ON(Cn1nnc2ccccc21)Cn1nnc2ccccc21 366061 YHGUQKPPLHWKNV-UHFFFAOYSA-N 295.306 1.482 0 50 CDAA COc1ccc(N2C(=O)C[C@H](NC3CCCC3)C2=O)cc1 367033 KPYXNGHCODTBBE-AWEZNQCLSA-N 288.347 1.859 0 50 CDAA Cn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O 470249 QDUKZEUXUCGCGE-UHFFFAOYSA-N 284.290 1.888 0 50 CDAA COCCNS(=O)(=O)c1ccc(F)c(Cl)c1 1795941 AIYFYMGXGFLXBV-UHFFFAOYSA-N 267.709 1.404 0 50 CDAA CCCNS(=O)(=O)c1ccc2c(c1)nc1n2CCC1 2496547 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c1nc(N2CCOCC2)sc1CN1CCSCC1 126174393 YFWYUOJXSQTHKH-UHFFFAOYSA-N 285.438 1.529 0 50 CDAA Cc1csc(=O)n1C[C@@H]1CCCS(=O)(=O)C1 329005212 MMGWYJIMMKFSKP-VIFPVBQESA-N 261.368 1.043 0 50 CDAA C[C@H](C(=O)N(C)Cc1ncc[nH]1)n1cnc2ccccc21 67473153 ZVOAKVLMNRBDPO-LLVKDONJSA-N 283.335 1.979 0 50 CDAA Cc1nnc(SCCCNC(=O)[C@@H]2CCNC2)s1 65417866 SMHYDEWXVBWOPO-SECBINFHSA-N 286.426 1.054 0 50 CDAA CCc1nnc(CNC(=O)Cc2csc(C)n2)s1 72430935 PPXJTUWWZKTRTH-UHFFFAOYSA-N 282.394 1.724 0 50 CDAA C[C@H](COCC(F)(F)F)NC(=O)CC1CCNCC1 253433420 WQSVFWMGIZATLJ-SECBINFHSA-N 282.306 1.460 0 50 CDAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cncn1C 72435018 IFELZCDLXGLUQC-UHFFFAOYSA-N 297.318 1.742 0 50 CDAA Cc1nc2sccn2c1CN1CCN(C)[C@H](CCO)C1 39412708 VSQXXEXWWVJIPA-GFCCVEGCSA-N 294.424 1.203 0 50 CDAA CCn1ncnc1CN1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC 331626156 NXWXNILZSDLPTC-BFHYXJOUSA-N 294.399 1.314 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CN[C@H](C(=O)O)C2 72232778 VCWDXMPEVSUFHI-JTQLQIEISA-N 284.356 1.450 0 50 CDAA 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1.123 0 50 CDAA CCOc1ccc(C(=O)N2CCn3cncc3C2)cc1 290643923 ADFJMTNQFZVFMT-UHFFFAOYSA-N 271.320 1.938 0 50 CDAA Cc1nn[nH]c1C(=O)N[C@@H]1COC2(CCCCC2)C1 426435441 RXGPLYFDRDZIJJ-JTQLQIEISA-N 264.329 1.335 0 50 CDAA COCCN1C[C@H](Cc2ccc(CO)cc2)CC1=O 223359189 AJBNBNVZPHUOLM-CQSZACIVSA-N 263.337 1.216 0 50 CDAA CC(=O)c1cc(CN2CCN(C)[C@H](CCO)C2)cs1 43102938 KHDFNSHJXJEPQZ-CYBMUJFWSA-N 282.409 1.449 0 50 CDAA Cc1ccn2cc(C(=O)N(C)C[C@@H]3CCOC3)nc2c1 336546543 SWFWZAPGKFPCQU-LBPRGKRZSA-N 273.336 1.751 0 50 CDAA O=C(NCC[C@@H]1CCCN1)c1ccccc1-n1cnnc1 97776213 SESWBACKFWBCJB-LBPRGKRZSA-N 285.351 1.139 0 50 CDAA O=C(NC[C@@H]1CCCN(Cc2c[nH]cn2)C1)c1ccco1 95513065 FWGTZRBHMIPGCU-LBPRGKRZSA-N 288.351 1.645 0 50 CDAA CNC(=O)C[C@@H](C)N(C)C(=O)c1cc(CC(C)C)nn1C 92038956 YOAXGPLFUMOLHT-LLVKDONJSA-N 294.399 1.215 0 50 CDAA O=C(NCC1(O)CCOCC1)c1ccoc1Cl 236485793 JPWXIKYXPGEVKS-UHFFFAOYSA-N 259.689 1.204 0 50 CDAA C=CCN1C[C@@H](C(=O)NCCc2ccc(F)cc2)CC1=O 96682995 AHECGTFXYUXNJZ-ZDUSSCGKSA-N 290.338 1.519 0 50 CDAA 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COC1(OC)CC[C@@H]1N[C@@H]1CCN(c2ncccc2F)C1 864097258 RAMMOLPSMPDHBX-YPMHNXCESA-N 295.358 1.541 0 50 CDAA CCOC(=O)c1nc(=N[C@@H]2CCc3ncccc3C2)cc[nH]1 1875275226 GUFZNDUAGXRJKX-GFCCVEGCSA-N 298.346 1.440 0 50 CDAA O=C(N[C@@H]1CCO[C@H]1C1CC1)[C@H]1CCCCC[C@H]1C(=O)O 1875343177 FHCNHGOGKPPCCR-DGAVXFQQSA-N 295.379 1.951 0 50 CDAA O=C(O)CN1CCC[C@@H](NCc2cc(C3CCC3)on2)C1 1875317487 ZDJSELNWSLKILM-GFCCVEGCSA-N 293.367 1.581 0 50 CDAA COC(=O)c1ccc(NC(=O)C2CC2)c(F)c1C(=O)OC 1875324127 IOQJFIBNAHHVSQ-UHFFFAOYSA-N 295.266 1.747 0 50 CDAA NC(=O)N1CCC[C@H](C(=O)N2C[C@H]3CC=CC[C@H]3C2)C1 871515943 JSSKBGNSHFZBOB-XQQFMLRXSA-N 277.368 1.202 0 50 CDAA Cc1nn[nH]c1C(=O)NCc1nc2ccc(Cl)cc2[nH]1 789940892 DVGLQLMTWGFPKQ-UHFFFAOYSA-N 290.714 1.573 0 50 CDAA O=C(c1ccoc1)N1CCOc2ccccc2[C@H]1CO 887107315 FSWDFUJEGYSHKQ-CYBMUJFWSA-N 273.288 1.848 0 50 CDAA COc1ccnc(N2CCC[C@@H](n3ccnn3)CC2)n1 895106413 WHFAFTIOSLJNNE-LLVKDONJSA-N 274.328 1.308 0 50 CDAA Cc1ccc(C(=O)O[C@H]2CNC(=O)N(C)C2)c(F)c1 888099326 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Cc1oc(C(=O)NC[C@H]2CCc3cccnc32)cc1CO 636153320 XCDWGHLVTUTVLN-GFCCVEGCSA-N 286.331 1.935 0 50 CDAA CN(C)c1noc([C@H]2CC(=O)N(Cc3ccccn3)C2)n1 676236084 VCXRERUGELPHAR-JTQLQIEISA-N 287.323 1.047 0 50 CDAA CC(=O)NC[C@@H]1CCCN(c2nc(C3CC3)ns2)C1 301533487 SRPCGCLOTDZVLA-JTQLQIEISA-N 280.397 1.768 0 50 CDAA CC(C)OCCCC(=O)Nc1ccc(-n2cncn2)cn1 585061992 GJELERFVRDQSBS-UHFFFAOYSA-N 289.339 1.806 0 50 CDAA CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2)c1ccccc1 638912264 NUYBYCZILYLIQD-SOUVJXGZSA-N 258.365 1.999 0 50 CDAA O=S(=O)(Nc1cc(F)cc(F)c1O)N1CCCC1 585118806 CKSNOCQIAWQYJG-UHFFFAOYSA-N 278.280 1.423 0 50 CDAA CC1(C)C[C@H](NC(=O)CC[C@]2(C)CCC(=O)N2)CCO1 408190025 RRLYLEVOWSZQBW-IAQYHMDHSA-N 282.384 1.509 0 50 CDAA Cn1c(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)nnc1C1CC1 408335499 VMUMKAVELDJUTG-HFAKWTLXSA-N 290.367 1.266 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@@H]2CCCOC2)C1 408516388 VEAXDBATVHSXFS-ILXRZTDVSA-N 296.411 1.125 0 50 CDAA CC[C@@]1(CO)CCCN1C(=O)Cc1c(C)nn(C)c1C 189303247 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Cc1ccc(O)cc1C(=O)NCCN(C)c1ccccn1 1857532774 TXKUXKOZJFALSN-UHFFFAOYSA-N 285.347 1.962 0 50 CDAA COc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)cc1=O 1857667532 ATIBDHJSYBESRU-TUAOUCFPSA-N 290.363 1.940 0 50 CDAA CCCN1CCC[C@H](n2ccnc2[C@@H]2[C@H]3CNC[C@H]32)C1 1857723277 YESHGYVFKKTMEB-BYNSBNAKSA-N 274.412 1.863 0 50 CDAA C[C@@H]1C[C@H](NC[C@@H](O)CO)C[C@H](c2ccccc2)C1 216639737 YPSZPHVKLRDAEC-DRPJVOAASA-N 263.381 1.902 0 50 CDAA COc1ccc(O)cc1C(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 408439557 SKUJNZWIRQGPNU-AYRXBEOTSA-N 289.331 1.650 0 50 CDAA CC(C)OCCCNC(=O)C(=O)N[C@H](C)c1ccccc1 3002968 YBICCCFAXRITKT-CYBMUJFWSA-N 292.379 1.795 0 50 CDAA Cc1cc(C[S@](=O)CC(=O)N[C@@H]2CCCC[C@H]2C)no1 230096928 LQQSEQGXIIUOPQ-MZJFNTNISA-N 298.408 1.927 0 50 CDAA CO[C@@H](C)C(=O)N1CCC(c2ncc(C(=O)O)s2)CC1 630244607 BEIFOGXEIMCIDC-QMMMGPOBSA-N 298.364 1.582 0 50 CDAA O=C(O)Cn1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)n1 123030822 CBLYNPOUWVHZDT-IUCAKERBSA-N 263.297 1.342 0 50 CDAA 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336296598 KWUBPGAGWSIUQB-IUCAKERBSA-N 270.329 1.202 0 50 CDAA COCC1(CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC1 313932306 YIGQPVZIIBOHJV-AWEZNQCLSA-N 292.379 1.195 0 50 CDAA CCC(CC)Cn1ncc(N2CCOCC2)cc1=O 72166563 UVQCHJYNDYVKRX-UHFFFAOYSA-N 265.357 1.516 0 50 CDAA CCO[C@@H]1C[C@H](OC(=O)c2cncn2C)C12CCC2 241923296 UEULGHADFQILAB-NEPJUHHUSA-N 264.325 1.925 0 50 CDAA COc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)O)cc1F 129364307 ZDMSVXAQFPYSTP-JTQLQIEISA-N 297.282 1.150 0 50 CDAA Cc1ncsc1CCN(C)C(=O)c1ccc(=O)[nH]c1 215156884 FMFUVWAEJFSSNC-UHFFFAOYSA-N 277.349 1.455 0 50 CDAA CCN(C(=O)c1csc(SC)n1)[C@H]1COC[C@@H]1O 219232957 QBFAJIKGDYYGCW-IUCAKERBSA-N 288.394 1.087 0 50 CDAA CS(=O)(=O)N1CCCC[C@@H]1CCn1cccn1 77470563 FCROAZAACXHMMU-LLVKDONJSA-N 257.359 1.087 0 50 CDAA CC(C)CN1C[C@@H](C(=O)N(C)Cc2ccon2)CC1=O 606881645 SVEOGGVPTRCXKJ-NSHDSACASA-N 279.340 1.138 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)N=c2cc(C(C)C)o[nH]2)C1 459441867 IJOUDQIZMOENER-AOOOYVTPSA-N 267.329 1.909 0 50 CDAA O=C(NC[C@@H]1CCCC[C@H]1O)c1ocnc1C1CC1 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CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](O)CC2 828635875 LMCKNDHZTBEHHV-ZDUSSCGKSA-N 299.374 1.483 0 50 CDAA COC[C@@](C)(O)C(=O)N[C@H](CF)c1ccc(F)cc1 585139261 IVTJWJMJBLFUDL-DGCLKSJQSA-N 273.279 1.350 0 50 CDAA CC[C@H](NC(=O)c1cccc(N)n1)c1cnn(C)c1 584890253 XYFXSHKJMYPCJB-JTQLQIEISA-N 259.313 1.278 0 50 CDAA Cc1cc(CNC(=O)CCc2csc(=N)[nH]2)ccn1 584899104 DAFRFEFADSFYQV-UHFFFAOYSA-N 276.365 1.508 0 50 CDAA Cc1[nH]ccc1C(=O)NCCc1nc(C2CC2)no1 670465074 VZCQLQHBMYBFAV-UHFFFAOYSA-N 260.297 1.556 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)C1(N2CCCC2)CCCC1 670453180 XJJDAIGFLQMOKC-AWEZNQCLSA-N 280.412 1.890 0 50 CDAA Cc1nc(CC(=O)N2CC[C@@H]([C@H](F)C(=O)O)C2)cs1 1548598513 LCDGERNSXCRSSI-KCJUWKMLSA-N 286.328 1.265 0 50 CDAA O=C(c1cnns1)N1Cc2nc(C3CC3)nc(O)c2C1 1455387212 JCQHQOYATHANCM-UHFFFAOYSA-N 289.320 1.067 0 50 CDAA Cc1ccc(CNCCN2CCC3(C2)OCCO3)cc1C 952884374 ZKAYONDHOWQKND-UHFFFAOYSA-N 290.407 1.842 0 50 CDAA Brc1cnc2ccc(N3CCOCC3)nn12 71787930 ZHDRUVUETRNEBZ-UHFFFAOYSA-N 283.129 1.328 0 50 CDAA in-vitro CCc1nc(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O)co1 1875271009 IBOYIDHAEHKDIV-MDSNHJATSA-N 278.308 1.466 0 50 CDAA CN(Cc1cnn(C)c1)S(=O)(=O)C[C@@H]1C[C@H]1C(F)F 1875288513 IVRDPLRKOPNNMV-VHSXEESVSA-N 293.339 1.083 0 50 CDAA O[C@@H]1CC[C@H]2CCN(Cc3cnc4ccnn4c3)[C@H]1C2 1875276481 OQCKRLHCWHVMRL-FPMFFAJLSA-N 272.352 1.465 0 50 CDAA Cc1noc(=O)n1CC(=O)N[C@H](C)c1ccccc1 1875391344 OLJOALMTHOMQSI-SECBINFHSA-N 261.281 1.022 0 50 CDAA Cn1cc(C[N@]2C[C@H]2COc2ccc3c(c2)COC3=O)cn1 1875379489 RHQNVJHJUDHSOS-ORAYPTAESA-N 299.330 1.354 0 50 CDAA CN(C)C/C=C/C(=O)NCc1ccc(-c2nc[nH]n2)cc1 1875377427 ZXNUJYSKQINFRY-ONEGZZNKSA-N 285.351 1.206 0 50 CDAA C[C@@]1(C(=O)N[C@H](Cc2ccccc2O)C(=O)O)CC1(F)F 1875393840 MXAOKRRHVBFWNW-RNCFNFMXSA-N 299.273 1.549 0 50 CDAA Cc1csc(CCNC(=O)/C=C/CN(C)C)n1 1875375488 FJQNHIMECCVWAE-SNAWJCMRSA-N 253.371 1.228 0 50 CDAA CC(C)[C@H](N)C1(O)CCN(C(=O)OC(C)(C)C)CC1 958528836 WFQSEHNXRWRGCT-NSHDSACASA-N 272.389 1.732 0 50 CDAA CCO[C@@H](C)CNC(=O)CCCN1CCCCC1 952872382 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CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ncc[nH]2)C1 170594210 OPEAEMRFDVHYII-NSHDSACASA-N 280.372 1.756 0 50 CDAA COc1ccc(/C(C)=C/C(=O)N2CCN[C@H](C)C2)cc1 188428460 JGARUMSFFBYLGH-RSKUSDAESA-N 274.364 1.919 0 50 CDAA C[C@H]1CC(CCN2CC[C@@H](S(N)(=O)=O)C2)C[C@H](C)C1 408088204 ICMPXHFMZJGHDC-YRGRVCCFSA-N 288.457 1.812 0 50 CDAA O=C(NC[C@@H](O)Cc1ccccc1)c1ccc2[nH]ncc2c1 304536932 PJVXGZFULNRNAV-HNNXBMFYSA-N 295.342 1.896 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)NCc1cccc(OC)n1 408474271 NQEBVNOMEURWMR-STQMWFEESA-N 278.352 1.912 0 50 CDAA Cc1c(C(=O)NC[C@H]2CCCO2)sc2nnc(S)n12 585089405 KZEBZFJLZOABPY-SSDOTTSWSA-N 298.393 1.297 0 50 CDAA O=C(Nc1nc2ccsc2s1)C1CS(=O)(=O)C1 585089443 NCHZXVYKNRKGOP-UHFFFAOYSA-N 288.375 1.341 0 50 CDAA Cn1ncc2c1CCCN(CCOCC(F)F)C2 411851239 KWDOIUNTPMGJCX-UHFFFAOYSA-N 259.300 1.450 0 50 CDAA CSC[C@H](C)C(=O)NCCN=S1(=O)CCCC1 585130934 GHBXZHPDCPLTEM-JTQLQIEISA-N 278.443 1.364 0 50 CDAA CN(Cc1cccc2c1CCOC2)[C@@]1(CO)CCOC1 639594487 FQVJQOJNKBXLJZ-MRXNPFEDSA-N 277.364 1.343 0 50 CDAA C[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CNC(=O)N1C 585132300 SOVLIUMXHLZOGN-SWHYSGLUSA-N 287.363 1.450 0 50 CDAA Cc1csc2c(=O)n(Cc3ccn(C)c(=O)c3)cnc12 683739552 JNXSAHXUPORLBD-UHFFFAOYSA-N 287.344 1.513 0 50 CDAA Cc1cnccc1N1CCC[C@@](O)(CC(=O)N(C)C)C1 643719238 XBZQTMRVWHAXKX-OAHLLOKOSA-N 277.368 1.200 0 50 CDAA Cc1cc(C)cc(NC(=O)Cn2ncc(C)cc2=O)c1 195434014 KSFXFASKBSHBKO-UHFFFAOYSA-N 271.320 1.807 0 50 CDAA CCN(CC(F)F)S(=O)(=O)c1ccc(OC)nc1 195451751 HFVAYCYLBXMXHJ-UHFFFAOYSA-N 280.296 1.366 0 50 CDAA Cc1c[nH]cc1C(=O)N1CCC[C@@H](c2nnc(O)o2)C1 568740010 YKCTYBCOYBWZFN-SECBINFHSA-N 276.296 1.432 0 50 CDAA CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)O)C2)nc1 659164123 ONMUMFWGQJPJED-ZWNOBZJWSA-N 292.335 1.519 0 50 CDAA COc1cc(C)nc(Nc2cnn(C(C)(C)C(=O)O)c2)n1 662896013 QDCZJQCBPKOYPO-UHFFFAOYSA-N 291.311 1.553 0 50 CDAA COC(=O)c1nccc(N2CC[C@@H](c3ccncc3)C2)n1 599104892 VOQIASOYZPOEPV-GFCCVEGCSA-N 284.319 1.652 0 50 CDAA COCCCCN1CCN(c2nccnc2N(C)C)CC1 1506419682 IOGWSYTYMQBWBL-UHFFFAOYSA-N 293.415 1.091 0 50 CDAA Cc1cc(C(=O)Nc2ccnn2C2CCN(C)CC2)no1 1506419225 XKWKDHNXULURBY-UHFFFAOYSA-N 289.339 1.699 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)CCc1cccs1 209818020 QKIQBLZSTIGNCY-PWSUYJOCSA-N 297.376 1.206 0 50 CDAA COC(=O)/C=C/c1cccc(NS(C)(=O)=O)c1 314560 VMCLCMXWSFKFAX-VOTSOKGWSA-N 255.295 1.244 0 50 CDAA biogenic,in-vitro C[C@H]1CN(C(=O)CC[C@H](N)c2ccccc2)CCN1 237589697 IDTYUZQYQNTBGV-JSGCOSHPSA-N 261.369 1.287 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)c1ccc(Cl)s1 128250327 GCATWHMAKASMFO-ZETCQYMHSA-N 289.740 1.717 0 50 CDAA O=S(=O)(CC1CCC1)N1CCC[C@H]1[C@H]1CCCO1 334231479 LLYYYGQJGYGYMU-QWHCGFSZSA-N 273.398 1.760 0 50 CDAA Cc1cc(C[C@@H]2CN(CCCCCCO)C[C@@H]2O)on1 1704341498 UUJLNTMFOJYQGH-HIFRSBDPSA-N 282.384 1.371 0 50 CDAA O=C(Cc1ccsc1)N1CC[C@@]2(CO)CCCN[C@@H]2C1 1704303477 JXPGUYKJDMTXFL-UKRRQHHQSA-N 294.420 1.254 0 50 CDAA CC(=O)NCCCC(=O)N1CCC[C@]2(CCC[C@H]2O)C1 1704313327 LCZCZGWYKFNSKC-UKRRQHHQSA-N 282.384 1.056 0 50 CDAA C[C@@H](NC(=O)C(=O)c1ccc(F)cc1)[C@@H](C)C(=O)O 1614994324 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SOBSMXXCXFUTAW-DOMZBBRYSA-N 290.338 1.549 0 50 CDAA O=C1C[C@H](CC(=O)N2C[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2)CO1 521394715 HOEOMGLPRSOZIR-HTVCTNPSSA-N 275.348 1.610 0 50 CDAA CCOc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 4196951 QJVFZIGRWNKHPP-GFCCVEGCSA-N 297.376 1.344 0 50 CDAA Cc1occc1C(=O)N1CCC[C@H](c2n[nH]c(=N)o2)C1 636207529 UVPQTBRJRLPULT-VIFPVBQESA-N 276.296 1.403 0 50 CDAA NC(=O)C[C@@]1(O)CCCN(c2ncc(Cl)cc2F)C1 643713941 GYLRIGGXHDXBRR-LBPRGKRZSA-N 287.722 1.081 0 50 CDAA CCN1CN(C[C@@H](O)COc2c(C)cccc2C)CC1=O 252493448 NCFYOQTZNJVJRO-CQSZACIVSA-N 292.379 1.165 0 50 CDAA COCc1nocc1C(=O)NC[C@@]1(O)CCCC1(C)C 355775902 QVVXABJEOHVEEJ-AWEZNQCLSA-N 282.340 1.492 0 50 CDAA COc1cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)ccc1O 253426130 FUIGFZQMSNWVRF-WBMJQRKESA-N 293.363 1.781 0 50 CDAA CCOc1nc(C)ccc1C(=O)Nc1cn(C)cn1 585135672 VRNBDOUJLHJART-UHFFFAOYSA-N 260.297 1.775 0 50 CDAA Cc1cc(CNC(=O)c2cc([C@H]3CCCN3C)[nH]n2)no1 585121110 GGAAPMQUGGLSHT-CYBMUJFWSA-N 289.339 1.403 0 50 CDAA C[C@@H]1C[C@H](NC(=O)NCc2cccc(C(=O)O)c2)[C@@H](C)O1 384525506 BTLIJZMGRBJPKW-BREBYQMCSA-N 292.335 1.750 0 50 CDAA Cn1ccc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc21 36365898 XJXHWJFAAQRPMN-UHFFFAOYSA-N 285.347 1.516 0 50 CDAA C[C@H](NC(=O)c1c(C(=O)O)cnn1C)C1CCC(F)CC1 902072189 NCFYJONCLMDYGG-IDKOKCKLSA-N 297.330 1.765 0 50 CDAA Cc1ccnc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704298681 BVQQBMQLCOSBHC-UKRRQHHQSA-N 276.384 1.068 0 50 CDAA CN1CCC[C@]2(CO)CCN(C(=O)c3ccoc3)C[C@@H]12 1704337933 HNBACOMPBJDRJC-UKRRQHHQSA-N 278.352 1.198 0 50 CDAA C[C@@]1(C(=O)N2CC[C@@H](N)C2)CC(c2ccccc2)=NO1 911731362 USTAICJQEWHVEG-DOMZBBRYSA-N 273.336 1.129 0 50 CDAA O=C(C[C@@H]1CCCC1(F)F)NCc1cc(O)nc(O)n1 823380655 QCGKAJIGZQEJLR-ZETCQYMHSA-N 287.266 1.330 0 50 CDAA CC(C)c1nc(CCNC(=O)c2cc(=O)cc[nH]2)cs1 929083296 BHHCHQNXNXVCRD-UHFFFAOYSA-N 291.376 1.927 0 50 CDAA C[C@](C[C@H]1CCOC1)(C(=O)O)n1cc(C2CC2)cn1 1776007186 WLROQFJBDMEHCU-YGRLFVJLSA-N 264.325 1.987 0 50 CDAA COC(=O)[C@H](C)N[C@H](C)Cn1cc(Br)cn1 225413489 AWWPLMGNMLPHDF-SFYZADRCSA-N 290.161 1.185 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)N[C@H]2[C@@H]3CNC[C@@H]32)cc1 252418253 VJNYHEZCBNVBSM-WDNDVIMCSA-N 294.420 1.480 0 50 CDAA C[C@H](C(=O)O)N(C)Cc1cn(C)nc1C(F)(F)F 262768032 LNBSCXAWVXSNCP-ZCFIWIBFSA-N 265.235 1.344 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(F)c(F)c2F)C1 284871710 QIXARTCUBIVPSJ-JGVFFNPUSA-N 289.253 1.326 0 50 CDAA CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 53576177 PPXJNMPGWVKNKP-GFCCVEGCSA-N 278.327 1.766 0 50 CDAA CN(CC1(CO)CC1)S(=O)(=O)c1ccc(Cl)s1 188968832 ZPZKXDHLYUCTNR-UHFFFAOYSA-N 295.813 1.795 0 50 CDAA C[C@](O)(CN1CCC[C@H](Cn2cncn2)C1)C(F)(F)F 330381081 HZPKBOCXSDMPLO-QWRGUYRKSA-N 292.305 1.303 0 50 CDAA N[C@@H]1CCCN(Cc2nc(C(F)(F)F)no2)C1 534646510 VDNGRARVRZUHAP-ZCFIWIBFSA-N 250.224 1.012 0 50 CDAA CCCOC[C@@H]1CCN(CCN2CCCC2=O)C1 670460676 HMQDHQRUFFZFRN-CYBMUJFWSA-N 254.374 1.357 0 50 CDAA CO[C@H](C)c1nc(CN(C)Cc2cn(C)nn2)cs1 677762552 NDADUSXLTJJGGC-SECBINFHSA-N 281.385 1.611 0 50 CDAA N[C@H]1CCC[C@@H](C(=O)N2CCCC3(CCOCC3)C2)C1 361722700 BMJHRJJNZBACRK-KGLIPLIRSA-N 280.412 1.923 0 50 CDAA COc1ccc(NC(=O)CSC(N)=O)c(OC)c1 441277 GQGTTZOPJLWLHU-UHFFFAOYSA-N 270.310 1.454 0 50 CDAA COC(=O)[C@H]1CC12CCN(Cc1[nH]cnc1C)CC2 2356138442 BUXWLXGBYWNILV-LLVKDONJSA-N 263.341 1.493 0 50 CDAA CCO[C@]12NC(=O)CC(=O)N1C(c1ccccc1)=CS2 2867998 YMDGENNTWOQAIM-AWEZNQCLSA-N 290.344 1.728 0 50 CDAA Cc1cccc(C)c1OCCOCCN(C)CCO 2980663 BJBJBUIVGDONHF-UHFFFAOYSA-N 267.369 1.623 0 50 CDAA COc1cnc(C(=O)N2CCCc3cccc(O)c32)nc1 344559530 APYPHFZEIAZJBT-UHFFFAOYSA-N 285.303 1.784 0 50 CDAA CC1=CC[C@@H]2C(=O)N([C@H](CC(C)C)C(=O)O)C(=O)[C@@H]2C1 101515258 MZXRNJVEPRVAOA-QJPTWQEYSA-N 279.336 1.827 0 50 CDAA Cc1nonc1[C@H]1CCCN1C(=O)c1n[nH]c2c1CCC2 20907868 CJVNAQVCJLXPGP-LLVKDONJSA-N 287.323 1.567 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CC(=O)C(C)(C)C)C(=O)O 115623445 VKGFZGKYLCFHDH-QMMMGPOBSA-N 273.329 1.970 0 50 CDAA COc1cc(C)c(CN2CCN(CCO)CC2)cc1C 22454735 CPJXNWDSFUVVGG-UHFFFAOYSA-N 278.396 1.422 0 50 CDAA c1nc(N2CCCC2)ncc1CN1[C@H]2CC[C@@H]1CCNC2 65373097 HWHRXIGLLXAWCO-CABCVRRESA-N 287.411 1.403 0 50 CDAA Cc1nc(N(C)C)nc(N2CC[C@H](N(C)C)C2)c1C 65458133 YENCGHQMGQEYTK-LBPRGKRZSA-N 263.389 1.300 0 50 CDAA CC(C)Oc1ccc([C@@H]2NCCc3[nH]cnc32)cc1CO 65525811 ZFWFVDVNGGMPRW-HNNXBMFYSA-N 287.363 1.924 0 50 CDAA Nc1ncccc1CN1CCC[C@@H](c2ccn[nH]2)C1 67847265 ZQJKHTPYRIDMFA-LLVKDONJSA-N 257.341 1.767 0 50 CDAA COc1cc(N(C)CC[C@@H]2CCCCO2)ncn1 65529667 OLGHWKQOPMWTMA-NSHDSACASA-N 251.330 1.881 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)[C@H]1C[C@H]1C 252678008 CHGSXXRGUOSTJY-WYUUTHIRSA-N 253.342 1.881 0 50 CDAA CC(C)C[C@@H](C)NC(=O)N1CCN(C(=O)C2CC2)C1 333499382 HQCFBIUXEAFXNQ-LLVKDONJSA-N 267.373 1.642 0 50 CDAA COc1ccc2nc(CC(C)(C)CC(=O)O)c[n+]([O-])c2c1 1304622 FCAOOSMLUZTAOT-UHFFFAOYSA-N 290.319 1.920 0 50 CDAA Cn1cc([C@H](O)C(=O)OCc2cccc(F)c2)cn1 253427123 DGVLRPJTTJTCTJ-LBPRGKRZSA-N 264.256 1.336 0 50 CDAA C[C@H](CN(C)C(=O)[C@H]1CCCC1(C)C)c1nn[nH]n1 330070347 XAFHIXWQKCZAII-NXEZZACHSA-N 265.361 1.588 0 50 CDAA OC[C@@H]1CCCN1c1cc(NCC[C@H]2CCCO2)ncn1 257365196 HFIBCFSPSGJWCT-QWHCGFSZSA-N 292.383 1.419 0 50 CDAA Oc1cccc(CN2CCC(O)(CN3CCCC3)CC2)c1 215821296 VQAPAJNYVGCDKY-UHFFFAOYSA-N 290.407 1.815 0 50 CDAA Cc1cccc(-n2cc(C(=O)N3CCNC[C@@H]3C)nn2)c1 125760438 WERAZFGCWJNJHR-LBPRGKRZSA-N 285.351 1.010 0 50 CDAA O=C(CN1CCCC1)NCc1cc(-c2ccccc2)n[nH]1 219572345 WNHAAHOVYWUZOK-UHFFFAOYSA-N 284.363 1.789 0 50 CDAA C[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H]1CCCNC1=O 630030713 SQZPEXCIBGQCBX-UGFHNGPFSA-N 286.375 1.952 0 50 CDAA CCCn1cc(CNC(=O)c2ccc(N)nc2)cn1 219405875 GBZRRVASZCDHKL-UHFFFAOYSA-N 259.313 1.200 0 50 CDAA COc1ccc(/C=C/C(=O)N2CCNC[C@@H]2C)cc1F 126343996 RHWUQWYODQKAFK-MALLOTDXSA-N 278.327 1.668 0 50 CDAA N[C@H]1CCCN(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)C1 333276259 LLZVLIQFBATKAS-FQUUOJAGSA-N 263.385 1.721 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)COc2ccc(F)cc2F)C1 237414086 UPQBRZUAWOJWCK-QWRGUYRKSA-N 298.333 1.929 0 50 CDAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCNCC3)c2)n1 237666555 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C[C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)O 262980526 MYZSXBSCMMCUQX-GWCFXTLKSA-N 293.319 1.447 0 50 CDAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2nccc3ccccc23)C1 284969157 XDMQTKNYWVCITI-QWHCGFSZSA-N 286.331 1.457 0 50 CDAA CC(C)c1noc([C@@H]2CCCN2C(=O)N2CCOCC2)n1 72141878 RLCNSMXQMUGJMG-NSHDSACASA-N 294.355 1.782 0 50 CDAA CCOC(=O)[C@@H]1C[C@@H]2C[C@H](O)CC[C@H]2CN1C(=O)OC 216087800 JSKMPIBAINJONC-YFKTTZPYSA-N 285.340 1.167 0 50 CDAA CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CCNC(=O)C1 497121904 AMKIWHYUSGLRSE-GFCCVEGCSA-N 299.415 1.215 0 50 CDAA CC(C)OC(=O)N1CCC(OC(=O)n2ccnc2)CC1 40450062 CCVURSQOPPATDB-UHFFFAOYSA-N 281.312 1.877 0 50 CDAA Cc1cn(CCNC(=O)c2cc(-c3ccccc3)on2)nn1 82138895 SIIDJADHFGDKKQ-UHFFFAOYSA-N 297.318 1.672 0 50 CDAA O=C(Cn1nc(C2CC2)ccc1=O)NCc1ccccc1 289424419 QZFCEEPFHCQHCV-UHFFFAOYSA-N 283.331 1.437 0 50 CDAA CCN1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2)CC1 46465981 BOCNMOSWOLUSEX-CQSZACIVSA-N 276.380 1.926 0 50 CDAA CCc1c(C)nn(CCNC(=O)CN2CCCC2)c1C 220438410 KMWTUKPHNUQVRQ-UHFFFAOYSA-N 278.400 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192342 IIQLVLWFQUUZII-UHFFFAOYSA-N 272.260 1.914 0 50 CDAA biogenic CC(C)Oc1ccc(C(=O)NC(C)(C)CO)cc1 460287 OYWROEVVAOYLSK-UHFFFAOYSA-N 251.326 1.975 0 50 CDAA CN(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 1618834 BTJPZWSENGXSGK-UHFFFAOYSA-N 263.702 1.045 0 50 CDAA CCOC(=O)C(Cc1ccccc1)C(=O)OCC 1648200 ICZLTZWATFXDLP-UHFFFAOYSA-N 250.294 1.972 0 50 CDAA in-vitro COCCCNC(=O)COc1ccc(Cl)cc1 2181318 VYNDKBXRKVXFDA-UHFFFAOYSA-N 257.717 1.872 0 50 CDAA OC1CCN(c2nccn3c(-c4ccncc4)cnc23)CC1 2356140049 RIRRTIGTUMCNCY-UHFFFAOYSA-N 295.346 1.752 0 50 CDAA O=C(NOCONC(=O)c1ccccc1)c1ccccc1 2819788 CBKVNWSSJQTAHY-UHFFFAOYSA-N 286.287 1.667 0 50 CDAA CN=c1ccnc(Nc2cccc(N3CCN(C)C3=O)c2)[nH]1 2356159650 LGPAPIIMHFWVHZ-UHFFFAOYSA-N 298.350 1.556 0 50 CDAA CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 4029983 XQHGNKZBVDKZMT-ZDUSSCGKSA-N 297.358 1.628 0 50 CDAA biogenic c1cn(C[C@H]2CCCN(Cc3ccn4ncnc4c3)C2)cn1 2356166617 FZDUAGRBJRTQES-HNNXBMFYSA-N 296.378 1.838 0 50 CDAA CCc1cc(-c2nc(Cc3noc(C)n3)no2)n[nH]1 113709849 JWLKYWBEJACPPN-UHFFFAOYSA-N 260.257 1.304 0 50 CDAA Cc1cccc(CS(=O)(=O)N2CCC(C(N)=O)CC2)c1 24611667 LMOKMFWACAPXAU-UHFFFAOYSA-N 296.392 1.022 0 50 CDAA O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCSC1 20862509 JSHMAVBOUXEFPF-UHFFFAOYSA-N 286.356 1.704 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCCC[C@H]2C(=O)O)s1 136534615 WWRHGWBFYPSERH-QRGHLMKCSA-N 280.349 1.930 0 50 CDAA Cc1cnc(NC[C@@H]2CCN(C)C2)nc1-c1cnn(C)c1 63846169 WKTNNEYCELQAQU-LBPRGKRZSA-N 286.383 1.549 0 50 CDAA Cc1cccc(N([C@H](C)C(=O)O)S(C)(=O)=O)c1 20130846 CYLXBHAZRJHQSB-SECBINFHSA-N 257.311 1.234 0 50 CDAA CN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1(C)C 328590416 DVQWFOQBAABFQV-HNNXBMFYSA-N 287.407 1.818 0 50 CDAA Cc1cc(F)c(Br)cc1S(N)(=O)=O 67794467 UZJJWMNVEVZGIR-UHFFFAOYSA-N 268.107 1.544 0 50 CDAA C[C@@](NC(=O)Cc1ccncc1)(C(N)=O)c1ccccc1 355147063 XVFXGMOHIHQZLL-INIZCTEOSA-N 283.331 1.141 0 50 CDAA CCS[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 123377424 HQUSMQBCYOOVLS-JGVFFNPUSA-N 284.341 1.722 0 50 CDAA CCCCN(CCCC)C(=O)CCS(C)(=O)=O 123446742 WVSTXTRMQATWPE-UHFFFAOYSA-N 263.403 1.850 0 50 CDAA Cc1nc(CN)cc(NCCc2scnc2C)n1 67841264 XICHCDNCQWQBNA-UHFFFAOYSA-N 263.370 1.663 0 50 CDAA CCS(=O)(=O)CC(=O)NCc1cccc(C(C)C)c1 356042607 IKQVSGVISGLHFB-UHFFFAOYSA-N 283.393 1.861 0 50 CDAA CCc1n[nH]c(NS(=O)(=O)c2ccc(C)s2)n1 253430474 ZPTVEASLBWLMNE-UHFFFAOYSA-N 272.355 1.538 0 50 CDAA COC(=O)c1n[nH]cc1NC(=O)c1ccc2[nH]ccc2c1 357195284 DLBXMQDQQFPERT-UHFFFAOYSA-N 284.275 1.930 0 50 CDAA O=C(C1Cc2ccccc2C1)N1CCOC[C@@H]1c1ncon1 330297670 LAKMPUPXXHGAFJ-CQSZACIVSA-N 299.330 1.385 0 50 CDAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(CC2=CCCOC2)C1 284680180 YALXJWSFXAGLBU-OLZOCXBDSA-N 278.356 1.222 0 50 CDAA CC(C)CCc1noc(CN2CCO[C@H](C)[C@H]2C(=N)O)n1 330590389 YROQIFBETUFGEF-MFKMUULPSA-N 296.371 1.783 0 50 CDAA CC(C)Cn1cncc1CNC(=O)c1n[nH]c(N)c1Cl 219112531 HYWSSRNFPCEPMX-UHFFFAOYSA-N 296.762 1.428 0 50 CDAA Cc1ccc(-c2cnc(N3CCNCC3)nc2)cc1 71575869 LBHOUIKGUUAGQT-UHFFFAOYSA-N 254.337 1.862 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)o1 215598027 RAEDAMXYQHTFGN-LLVKDONJSA-N 287.319 1.691 0 50 CDAA COc1cccc(OCC(=O)N2CCC[C@H](C)[C@H]2CN)c1 156653065 YJQGTAUFYPLGMH-SWLSCSKDSA-N 292.379 1.660 0 50 CDAA O=C(COCc1ccccc1)NCc1cnc2cnccn12 219933796 NCEKNSMOTYONNP-UHFFFAOYSA-N 296.330 1.562 0 50 CDAA Cc1cc(F)ccc1[C@@H](O)CN1CCO[C@@]2(CCOC2)C1 372198078 WCMOAABAFFJQCW-HOTGVXAUSA-N 295.354 1.659 0 50 CDAA C[C@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)CC2(CCC2)O1 335362592 YKGQMTBTBZWQGN-NWDGAFQWSA-N 280.368 1.215 0 50 CDAA CC(C)OCCCC(=O)N1CCC[C@@](F)(CO)C1 376571577 BSPPYRQSWLBIKL-ZDUSSCGKSA-N 261.337 1.515 0 50 CDAA COc1cc(C(=O)N2CC[C@](F)(C(=O)O)C2)ccc1F 262604200 ABPHVFZHUAQBMN-CYBMUJFWSA-N 285.246 1.473 0 50 CDAA O=S1(=O)N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1 71772725 CQFMYKOPDSGUGD-KBPBESRZSA-N 274.345 1.907 0 50 CDAA CC(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 72446691 XAUODMQGRWDVLR-UHFFFAOYSA-N 289.383 1.135 0 50 CDAA Cc1nnc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)o1 343222200 JUUASOWCHLFZAT-NWDGAFQWSA-N 263.272 1.829 0 50 CDAA CN1C[C@H](NC(=O)c2cc(-c3ccccc3)no2)CCC1=O 133795941 AGBLZQNIXHAQOC-GFCCVEGCSA-N 299.330 1.692 0 50 CDAA C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1cnc(N(C)C)nc1 246612248 PVVAYOZJJOETQU-IJLUTSLNSA-N 291.399 1.742 0 50 CDAA COCc1cc(NC(=O)N[C@@]23C[C@@H]2COC3(C)C)ncn1 529024478 PXILYXCVXJIYJU-OTYXRUKQSA-N 292.339 1.312 0 50 CDAA CN(C)c1nc(N2CCC[C@H]2C(=O)O)nc2ccccc12 263405999 KRJHFNMCLWNXOF-LBPRGKRZSA-N 286.335 1.749 0 50 CDAA N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 136734403 HUNUUSDBQHRJFT-NXEZZACHSA-N 286.353 1.479 0 50 CDAA Cc1cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)no1 41257098 QCJBVZGXACQJMA-UHFFFAOYSA-N 280.328 1.315 0 50 CDAA COc1ccccc1OCCNC(=O)c1ccnc(O)c1 531852096 CBWZUHGOUYMWKG-UHFFFAOYSA-N 288.303 1.605 0 50 CDAA Cc1cc(C[C@@H](C)NC(=O)c2c[nH]c(=O)c(Cl)c2)n[nH]1 221408609 DFCILOHPIFZLLX-SSDOTTSWSA-N 294.742 1.421 0 50 CDAA CN(C)Cc1ccc(C(=O)NCC2(C)COC2)cc1 83519696 BXYXNBUROKECQP-UHFFFAOYSA-N 262.353 1.515 0 50 CDAA C[C@H](CCC(=O)NCc1ccncc1)N1CCCC1 426358685 XSVQCDZDPXALCM-CYBMUJFWSA-N 261.369 1.962 0 50 CDAA CC(C)n1nccc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 426690284 LASGRBPARXNKNS-JSGCOSHPSA-N 292.383 1.057 0 50 CDAA CCO[C@@H](C)C(=O)N(CC)Cc1nnc(CC)o1 426370314 XDPDLPUHPLDNDG-VIFPVBQESA-N 255.318 1.406 0 50 CDAA CO[C@H]1COCC[C@@H]1CC(=O)N1CCCc2ncccc21 294580841 WERVKDZHXZKKDD-DOMZBBRYSA-N 290.363 1.802 0 50 CDAA C[C@H](CC(=O)O)NC(=O)c1cc(C(C)(C)C)nc(O)n1 426584855 SIFYINJDXKFXBL-SSDOTTSWSA-N 281.312 1.073 0 50 CDAA COCc1cccc(C(=O)N(C)C2CCNCC2)n1 97076463 YBCKKCKNNDRCQO-UHFFFAOYSA-N 263.341 1.052 0 50 CDAA O=C(N1CCC[C@@H](CO)C1)N1CCc2ccccc21 239672780 BVFRWZBPPJBBHK-GFCCVEGCSA-N 260.337 1.873 0 50 CDAA C[C@@H](NC(=O)CSc1cn(C)c2ccccc12)C(=O)O 426506550 FMVVIKQPJWSTDF-SECBINFHSA-N 292.360 1.860 0 50 CDAA C[C@@]1(C(=O)N2CCC(O)(c3ccccn3)CC2)CCCO1 426431798 KBNJZFSAWYFKRM-HNNXBMFYSA-N 290.363 1.461 0 50 CDAA CSc1cc(I)ncn1 95740385 TXELSPZUGVLZON-UHFFFAOYSA-N 252.080 1.803 0 50 CDAA COc1ccccc1CCC(=O)N1C[C@H](C2CC2)[C@@H](N)C1 91707099 YKBLSAAGJSICJH-CABCVRRESA-N 288.391 1.824 0 50 CDAA CCN1C[C@H](NC(=O)c2ccc(C)nc2C)[C@@H](OC)C1 243893358 AQFNGSOPEGMABR-KBPBESRZSA-N 277.368 1.147 0 50 CDAA CC(C)c1nnc(CN(C)CCCc2nccn2C)o1 244601886 DTPKLRGZYMOCGV-UHFFFAOYSA-N 277.372 1.991 0 50 CDAA CCN(Cc1ccc(C)o1)Cc1nc(C(=O)NC)no1 252503678 VFOAGNACOJVXQU-UHFFFAOYSA-N 278.312 1.353 0 50 CDAA COC(=O)[C@@H](NC(=O)NC1CCCCC1)C(C)C 534701 RKWQHWNULYZMFP-NSHDSACASA-N 256.346 1.816 0 50 CDAA Cc1ccn2nc(C(=O)N3CCC[C@]4(CCNC4)C3)cc2c1 534640008 PXQWGMMGEYJOIX-QGZVFWFLSA-N 298.390 1.858 0 50 CDAA Cc1nn(C[C@H](C)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c(C)c1Cl 534589081 NTGLCPDFUKEKRH-CWPPHPDTSA-N 297.786 1.804 0 50 CDAA CC(C)N(C)S(=O)(=O)NCc1ccc2ccccc2n1 359364394 SZTUKYFMLWPJHM-UHFFFAOYSA-N 293.392 1.909 0 50 CDAA Cc1cnc(CN(C)C(=O)NCC2(N(C)C)CCCC2)[nH]1 534588163 BFPBYNXMEUWTHE-UHFFFAOYSA-N 293.415 1.734 0 50 CDAA Nc1nc(C(=O)N2CCC(c3ccncn3)CC2)cs1 299788602 VLSSMHWNOOZVOO-UHFFFAOYSA-N 289.364 1.535 0 50 CDAA CC[C@@H](OC)C(=O)NCCc1cc(OC)cc(OC)c1 299780821 BNXBMWQVWXZMFJ-CQSZACIVSA-N 281.352 1.788 0 50 CDAA OCc1ccc(-c2ncnn2CC(F)(F)F)cc1 828823015 RTURBPOAUSGGTG-UHFFFAOYSA-N 257.215 2.000 0 50 CDAA CCCS(=O)(=O)N(C)CCCc1c(C)n[nH]c1C 822989364 SXOLKUCATBIAPW-UHFFFAOYSA-N 273.402 1.631 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cc2ncccn2n1 584888021 DEIUCRGALZEXBN-MRVPVSSYSA-N 284.323 1.560 0 50 CDAA CC(C)N1CCCN([C@H]2CCNC(=O)CC2)CC1 828305657 RDRNRRMGKXQTCH-CYBMUJFWSA-N 253.390 1.071 0 50 CDAA O=C(CN1CCCC1=O)NCCCC[C@@H]1CCCO1 584899055 MBDOSQXQSWEDIB-GFCCVEGCSA-N 268.357 1.074 0 50 CDAA Cc1[nH]c(=N)sc1CC(=O)N1C[C@H]2CC[C@H](C2)C1 584897417 IGBXODGEZFYQIO-AOOOYVTPSA-N 265.382 1.665 0 50 CDAA Cc1nc(C)c(CC(=O)N[C@@H](C)c2nncn2C)s1 584899921 CBUCHBMBACPXRO-QMMMGPOBSA-N 279.369 1.308 0 50 CDAA CNC(=O)CCC(C)(C)NC(=O)c1ncccc1C 584903884 VLDIDAFFODTNED-UHFFFAOYSA-N 263.341 1.425 0 50 CDAA C[C@@H](NC(=O)Cn1ccccc1=O)C1=CCCCC1 670472119 AKGWRSURMXPBOA-GFCCVEGCSA-N 260.337 1.853 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)c2cn(C)c(C)cc2=O)n1 584903588 MGLGMQCMIUKSSJ-GFCCVEGCSA-N 299.374 1.758 0 50 CDAA CC/C=C/CC(=O)N1CCN(CCCCO)CC1 584887053 AYXMOMHHNBJNDX-ONEGZZNKSA-N 254.374 1.259 0 50 CDAA CCN1CC[C@H](CN(C)Cc2c(C)nn(CCO)c2C)C1 670446520 ZOUORGPCVSBCPM-OAHLLOKOSA-N 294.443 1.266 0 50 CDAA CCN(C)[C@H](C)C(=O)N(C)Cc1cc(C)cc(C)n1 670444965 FSSBEHHTOARGJY-CYBMUJFWSA-N 263.385 1.997 0 50 CDAA NC[C@@H]1CC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)NC1 757209906 GPSDDLHWXJHUCF-LNFKQOIKSA-N 265.323 1.244 0 50 CDAA COc1cccc(F)c1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553535954 VWPIXHGLMUPRHP-BONVTDFDSA-N 293.342 1.467 0 50 CDAA Cc1nc([C@](O)(CC(=O)O)C(F)(F)F)oc1C 1554770734 LWNLPPDADCNYSL-MRVPVSSYSA-N 253.176 1.516 0 50 CDAA CN1C[C@@H](C(F)(F)F)[C@@H](C(=O)N2CC=CCC2)C1 952992020 HVGWLJGCGPURMA-VHSXEESVSA-N 262.275 1.515 0 50 CDAA CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 71260667 WOCMUJFSDGAHNY-SECBINFHSA-N 259.302 1.185 0 50 CDAA in-vitro CCc1oc(C(=O)NC/C=C/C(=O)OC)cc1C 1875273325 PDLJLWDUGCSTRA-AATRIKPKSA-N 251.282 1.609 0 50 CDAA O=C(N[C@@H]1CCC[C@@H]2CNC[C@H]21)c1nc[nH]c2nccc1-2 1875292495 JZOZIAQQEXWJMM-YUSALJHKSA-N 285.351 1.027 0 50 CDAA CC(C)[C@H](NC(=O)/C=C/CN(C)C)c1nnc2n1CCC2 1875375913 UVDGIOTXGZNMTB-OWNNVSBGSA-N 291.399 1.155 0 50 CDAA C[C@@H]1COC[C@@](CO)(CNc2ncc(C3CCC3)o2)N1C 1875398260 JEMDCMKADUPSKS-ABAIWWIYSA-N 295.383 1.436 0 50 CDAA Cc1ccc(C2=NO[C@@H](CNCc3cnnn3C)C2)cc1 952992558 NWFOYVSTCKXUMQ-CQSZACIVSA-N 285.351 1.406 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(c2cc(C)nc3ncnn23)C1 888077736 RJHYCGJXSONNBM-GHMZBOCLSA-N 299.338 1.122 0 50 CDAA Cc1cnc2c(c1)N(C(=O)[C@H]1CCc3nccn3C1)CC2 888143442 WHZJVCLFCGUKDY-LBPRGKRZSA-N 282.347 1.738 0 50 CDAA CCOc1cccc(CC(=O)N[C@]23CCC[C@@H]2NCC3)n1 1775600090 JENHYQSVJWPBOK-BBRMVZONSA-N 289.379 1.424 0 50 CDAA C[C@@H](CO)N=c1nc[nH]c2[nH]c(C(=O)OC(C)(C)C)cc12 1775989121 DUSXARINXNPOSK-QMMMGPOBSA-N 292.339 1.128 0 50 CDAA Cc1cc(NCc2nc(C)c(C)[nH]2)n2nc(C)nc2n1 1339824809 UIEAALQUAOSBMT-UHFFFAOYSA-N 271.328 1.693 0 50 CDAA CC(C)(C)[C@H]1CCN(C(=O)c2cnsn2)CCO1 1529267792 IMWXCSXNFRQBKR-SNVBAGLBSA-N 269.370 1.815 0 50 CDAA CN(CCCc1nccn1C)C(=O)[C@@H]1CC[C@H](C(=O)O)C1 1565514454 KUNKAUIKAXRWGK-NEPJUHHUSA-N 293.367 1.312 0 50 CDAA Cc1ccccc1NC(=O)NCCN1CCNCC1 19861800 SYWGBNWTNZAIMR-UHFFFAOYSA-N 262.357 1.022 0 50 CDAA Cn1ncc2c1C[C@H](C(=O)N[C@@H]1CCCC1(F)F)CC2 672500817 OWRHMVWIMADXQY-BXKDBHETSA-N 283.322 1.829 0 50 CDAA CCOC1CC(O)(CNC(=O)Nc2ccc(Cl)cn2)C1 277807458 IKWHDDWDYHOBLM-UHFFFAOYSA-N 299.758 1.787 0 50 CDAA Cc1cc(C(=O)N2CCN(c3cnccn3)CC2)co1 187779078 XDMVRDMCDUOFKP-UHFFFAOYSA-N 272.308 1.340 0 50 CDAA Cn1c(C(=O)NC[C@@H]2CCCO2)cc(=O)c2ccccc21 585089301 CAJDMMULXWNGPY-NSHDSACASA-N 286.331 1.447 0 50 CDAA Cc1cccc2c1OCC[C@@H]2NC(=O)N1CCC[C@H]1CO 188570310 AJRWQQFJOOGKIL-JSGCOSHPSA-N 290.363 1.985 0 50 CDAA CC(=O)N1CCCC[C@H]1C(=O)NCCN1CCC(C)CC1 408061187 JENUIZVKOGMPAV-HNNXBMFYSA-N 295.427 1.236 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(CC2CC2)C1 408474896 XATCFKNNDHPPNA-ZFWWWQNUSA-N 294.395 1.476 0 50 CDAA CO[C@H](C)C(=O)O[C@@H](C)c1cnc(C2OCCO2)s1 225692134 YPYJNVRFZFTMTE-JGVFFNPUSA-N 287.337 1.828 0 50 CDAA COCCO[C@@H]1CCCN(Cc2ccnc(N)c2)C1 193455365 VZKFSJRWCDKXMI-CYBMUJFWSA-N 265.357 1.291 0 50 CDAA Cn1cc(-c2cc(CN3CCC[C@]3(C)C(=O)O)on2)cn1 652480595 KVECKBGPFXCLEW-CQSZACIVSA-N 290.323 1.514 0 50 CDAA O=C(O)[C@H]1CC[C@H](C(=O)N2CCC=C(c3ccco3)C2)O1 659165939 CIFDBTDDZKFFON-CHWSQXEVSA-N 291.303 1.528 0 50 CDAA OCc1cn(CCOc2ccccc2Br)nn1 664085440 CEXMGIHIZOHKOW-UHFFFAOYSA-N 298.140 1.612 0 50 CDAA Cc1nnc(N2CC[C@H](N(C)C)[C@@H](O)C2)c2ccccc12 1506418975 LIWFSFDWSKYQGH-GJZGRUSLSA-N 286.379 1.439 0 50 CDAA OC[C@@H]1C[C@H](F)CN1c1nc2cc(F)ccc2o1 336367510 PNBWVCMGBMHGAR-IUCAKERBSA-N 254.236 1.876 0 50 CDAA CCOCCCC(=O)N1CC[C@@H](CCN(C)C)C1 1615003089 DCCDDEGPPRVSMK-CYBMUJFWSA-N 256.390 1.603 0 50 CDAA CN(Cc1nccn1C)C(=O)[C@@H]1CCCN[C@@H]1C1CC1 1615045033 NRSWEDFYJWUTDH-TZMCWYRMSA-N 276.384 1.157 0 50 CDAA COC[C@H](C)n1cc(C(=O)NCCC2(CO)CC2)c(C)n1 1615621938 FHVCGBXAWPFKHK-NSHDSACASA-N 295.383 1.291 0 50 CDAA CC(C)(O)[C@H]1CCN(C(=O)Cc2cccc(O)c2)C1 215615246 LZKGXKQTRXXGDA-LBPRGKRZSA-N 263.337 1.554 0 50 CDAA Cc1cc(CN(C)C(=O)c2ccc3c(N)ncnc3c2)no1 1629849454 RWHGXHYEWCAGEL-UHFFFAOYSA-N 297.318 1.781 0 50 CDAA Nc1cc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)n[nH]1 218932181 WVAWPCXEKRIIHI-JTQLQIEISA-N 277.372 1.129 0 50 CDAA CN(C)Cc1nnc(NCCc2cccs2)o1 1772711123 FQFWUXZKPWUCSC-UHFFFAOYSA-N 252.343 1.847 0 50 CDAA O=C(O)c1ccc(C(=O)O)c(I)c1 5426956 LUZKKRPROWYBLR-UHFFFAOYSA-N 292.028 1.688 0 50 CDAA CCCN(C)S(=O)(=O)c1cccc(C(=O)NCC)c1 16623976 AEVXESBRVAVQCW-UHFFFAOYSA-N 284.381 1.467 0 50 CDAA Cc1ncoc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 19782108 GUUYCEXGEGUTDO-AWEZNQCLSA-N 285.347 1.987 0 50 CDAA CCOc1ccc(S(=O)(=O)n2cccn2)cc1C 4988177 GGEKCLZXKSTHNB-UHFFFAOYSA-N 266.322 1.827 0 50 CDAA COC(=O)CN1CCc2c(-c3ccccc3)nn(C)c2CC1 1857672032 FRHHHPSHTCEYLB-UHFFFAOYSA-N 299.374 1.661 0 50 CDAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCO[C@@]2(CCNC2)C1 1857704718 CIMLPYFZQTVPCV-ZMSDIMECSA-N 286.375 1.381 0 50 CDAA C[C@@H](C(=O)N1CCC[C@H]1CO)N1CCc2ccccc2C1 125147992 IUOAYNGQMAJONP-BBRMVZONSA-N 288.391 1.417 0 50 CDAA COCCOc1cccc(C(=O)N2CCNC[C@@H]2C)c1 126310191 CABVAUITXVAWTI-LBPRGKRZSA-N 278.352 1.146 0 50 CDAA CCCC[C@H](N)C(=O)N1CCC[C@H](Cc2nccn2C)C1 236771720 UWRJZXJWZLBNTP-KGLIPLIRSA-N 292.427 1.719 0 50 CDAA COCCOc1ccc(C(=O)N2C[C@@H](F)C[C@H]2CO)cc1 347380967 ARKPNDQHOUAVMF-STQMWFEESA-N 297.326 1.257 0 50 CDAA Cc1cc(=NC(=O)[C@H]2CCCN(c3ccccn3)C2)[nH]o1 363212956 DPGHQAMUNMQVQQ-LBPRGKRZSA-N 286.335 1.655 0 50 CDAA CC(C)Oc1cccc(CC(=O)N2CCC[C@H](N)C2)c1 157858311 IEMUWZWEFNILSY-AWEZNQCLSA-N 276.380 1.966 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NCc2nnc(O)n2C)CC(C)(C)C1 585130057 GPLGHKVFYMOXHW-NXEZZACHSA-N 280.372 1.599 0 50 CDAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)c1ccc2nccnc2c1 263454108 AJTJOWSYSLVJOD-JQWIXIFHSA-N 299.330 1.955 0 50 CDAA O=C(O)[C@@H]1COCCN(Cc2nc3c(s2)CCCC3)C1 1772814396 WSYZPVLGVJWXOA-JTQLQIEISA-N 296.392 1.555 0 50 CDAA CCC(=O)N1CCC(N[C@@H]2Cc3ccccc3[C@H]2N)CC1 902437489 JKZUIAFWTYNTSJ-NVXWUHKLSA-N 287.407 1.602 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc2c(c1)CCO2 124675512 UBXKCAHAEQIVCG-MFKMUULPSA-N 260.337 1.573 0 50 CDAA C[C@@H]1OCCN(C(=O)c2ccc(C(=O)O)cc2)[C@H]1C 237384482 RGWKZUOOXFBFDI-UWVGGRQHSA-N 263.293 1.634 0 50 CDAA CC(C)(C)n1cc(CN2CC[C@@]3(CNC(=O)C3)C2)cn1 279492846 UZPMJWUSMOVRGV-OAHLLOKOSA-N 276.384 1.350 0 50 CDAA Cc1nnc(CN2CCN(C3CCSCC3)CC2)s1 299767218 PLVKFTGJVNZWCB-UHFFFAOYSA-N 298.481 1.860 0 50 CDAA O=S(=O)(C1CCCCC1)N1CC[C@@H](c2ncc[nH]2)C1 404386392 NCKVLGHWHCQGBJ-LLVKDONJSA-N 283.397 1.862 0 50 CDAA CC[C@]1(O)CCCN(S(=O)(=O)c2cccnc2)C1 632665931 HLHFDKRIGILMQU-LBPRGKRZSA-N 270.354 1.007 0 50 CDAA CN(C(=O)c1coc(C(F)(F)F)n1)C1CC(N)C1 638256966 YIXROXJWVWLVOQ-UHFFFAOYSA-N 263.219 1.255 0 50 CDAA Cc1ccc(F)c(C(=O)N2CCO[C@](C)(C(=O)O)C2)c1 711528504 RQHFYFQSUPUVRH-AWEZNQCLSA-N 281.283 1.450 0 50 CDAA CC1(C)C[C@H](NC(=O)c2ccsc2)CCS1(=O)=O 888398328 YNRJGMBEMBTVQM-SNVBAGLBSA-N 287.406 1.834 0 50 CDAA Cc1cccc(NC(=O)CSc2nncn2C)c1 413186 IMDGYLUXBZBWTC-UHFFFAOYSA-N 262.338 1.854 0 50 CDAA CCCCNC(=O)CSc1ncnc2[nH]cnc12 4149675 CRBVGCFLASXMCV-UHFFFAOYSA-N 265.342 1.361 0 50 CDAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(CN(C)C)nc1 2325795240 SEIQEBDUCVQJGA-AAEUAGOBSA-N 276.384 1.095 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC1(O)CCC(C)(C)CC1 862218406 LLTXISPUJJTRPT-UHFFFAOYSA-N 282.384 1.078 0 50 CDAA CNC(=O)C(C)(C)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 248488885 MPZYGQRISHGQGJ-YNEHKIRRSA-N 280.412 1.696 0 50 CDAA Cc1ccc2c(c1)[C@@](O)([C@H]1COC(C)(C)CC1=O)C(=O)N2 229552 XNHZGZZHBFCLPG-MEDUHNTESA-N 289.331 1.519 0 50 CDAA biogenic Cc1ccc(S(=O)(=O)NCC(=O)O)cc1Cl 390711 XCKRPVDKNDUXRQ-UHFFFAOYSA-N 263.702 1.011 0 50 CDAA CCc1ccccc1N(CC(=O)NC1CC1)S(C)(=O)=O 452376 LFARVRCNAYKCKX-UHFFFAOYSA-N 296.392 1.294 0 50 CDAA C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOCC1 476127 DMZZLGGYWFHHDE-JTQLQIEISA-N 269.728 1.966 0 50 CDAA Cn1cncc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356149744 UIDAIOGXTBPELH-DZGCQCFKSA-N 285.347 1.411 0 50 CDAA CCCCN(C(=S)SC)[C@H]1CCS(=O)(=O)C1 3683651 KOILCBJGVGUPAC-VIFPVBQESA-N 281.468 1.924 0 50 CDAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4162332 OYRRYCDONHLKGG-LFSVMHDDSA-N 285.299 1.920 0 50 CDAA Cc1ccc(N2C[C@H](C(=O)N3CCCC3)CC2=O)cc1 4840579 JQGRZNNHJFJJMZ-CYBMUJFWSA-N 272.348 1.970 0 50 CDAA COc1ccc(NC(=O)CN2CCCC2)c(OC)c1 7786232 PWHQUFYETMZFNU-UHFFFAOYSA-N 264.325 1.738 0 50 CDAA OC1(CNCc2cc(F)ccc2F)CCOCC1 112717300 BJMWDVQOPKIOJI-UHFFFAOYSA-N 257.280 1.596 0 50 CDAA Cc1nc2c(N(C)Cc3c(C)n[nH]c3C)ncnc2o1 55343899 SVUOUQFIXKSOHR-UHFFFAOYSA-N 272.312 1.903 0 50 CDAA COC(=O)c1nn(C)c2c(Cl)nc(Cl)nc12 105640945 RUZYNSIYGLDIBT-UHFFFAOYSA-N 261.068 1.457 0 50 CDAA CC1=NN(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)O 100126725 PGDJQYVOKQBXJI-JTQLQIEISA-N 250.229 1.639 0 50 CDAA Cc1ccc2[nH]cc(-c3c(C)[nH]c(=O)[nH]c3=O)c2c1 67755148 NOILMHPUDIHVSZ-UHFFFAOYSA-N 255.277 1.828 0 50 CDAA CCS(=O)(=O)CCNC(=O)Nc1cc(F)ccc1C 69614176 IZXOYEHXIRHJRC-UHFFFAOYSA-N 288.344 1.690 0 50 CDAA COc1cc(C(C)=O)ccc1OCCN1CCN(C)CC1 20653297 VPJDJNISANLTJA-UHFFFAOYSA-N 292.379 1.524 0 50 CDAA COC1CCC(C(=O)NC[C@@H]2CCCN(C)C2)CC1 67967979 VMNSOKWZKRWGCD-HSBZDZAISA-N 268.401 1.650 0 50 CDAA C=CC(=O)N1CCCN(c2nc(CC)ns2)CC1 328594555 UBPUJFSSQGTDIM-UHFFFAOYSA-N 266.370 1.325 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(C(=O)C2=COCCC2)CCO1 328631351 KJULDNVAMZSNCA-OAHLLOKOSA-N 294.395 1.250 0 50 CDAA CC[C@H](OC)C(=O)N1CCN(Cc2cccc(F)c2)CC1 63855666 BRLPXPGWINUSCZ-HNNXBMFYSA-N 294.370 1.895 0 50 CDAA CCN(CC(=O)O)C(=O)[C@H]1SCCc2ccccc21 236960763 YWGPVTNAMVFTQZ-ZDUSSCGKSA-N 279.361 1.950 0 50 CDAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cccc2c1OCC2 67588479 RXLULFAFLVRVEC-ZDUSSCGKSA-N 288.347 1.314 0 50 CDAA CCc1ncc(NC(=O)N[C@H]2CCOC2(C)C)cn1 333510442 LXDAYHFSJRZLFM-JTQLQIEISA-N 264.329 1.728 0 50 CDAA COc1ccc(Cn2cnc3ncccc3c2=O)cc1OC 32603561 FTEIYYLDYYAAMW-UHFFFAOYSA-N 297.314 1.857 0 50 CDAA CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1ccnn1C 125177198 XOGNOLOTPADVCH-VHSXEESVSA-N 252.318 1.045 0 50 CDAA Cn1nccc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 125343319 UGOSOAWXFMBIAV-JLLWLGSASA-N 276.340 1.499 0 50 CDAA CC[C@H]1CN(C(=O)CC[C@@H]2CCC(=O)N2)C[C@@H](CC)O1 333656711 ANPBFCZXDKDWDL-RWMBFGLXSA-N 282.384 1.461 0 50 CDAA CC[C@@H](O)CN1CCOC[C@@H]1CC(=O)c1ccccc1 152732093 WVFBEFSOJDDFJT-LSDHHAIUSA-N 277.364 1.731 0 50 CDAA C[C@@H]1CC(=O)c2cc(C(=O)NC3CCCC3)c(=O)[nH]c2C1 71384592 SYNOSIVBPPCAIE-VIFPVBQESA-N 288.347 1.812 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCC2(CCOCC2)CC1 284522588 BZIACBDSNUEPCT-UHFFFAOYSA-N 291.395 1.988 0 50 CDAA CN(Cc1ccccc1OCCO)C1CCOCC1 216161161 BJDTXTGGOZSDOY-UHFFFAOYSA-N 265.353 1.669 0 50 CDAA C[C@H]1CCN(C(=O)c2cc([C@@H]3CCNC3)[nH]n2)CC1(C)C 335027770 JPQUQQVFUWAGSA-NWDGAFQWSA-N 290.411 1.995 0 50 CDAA Cc1cc(CC(=O)N2CC[C@@H](c3cnn(C)c3)C2)n(C)n1 335352897 FEXJVKVUGFCJGR-GFCCVEGCSA-N 287.367 1.021 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2cc(C)no2)C1 284772892 XNDRNNFUNLNGOF-JSGCOSHPSA-N 293.367 1.195 0 50 CDAA CCN1CC2(CCN(C[C@H]3CCCO3)CC2)OC1=O 77457274 UPFSYWZNODUCLI-GFCCVEGCSA-N 268.357 1.472 0 50 CDAA CC(C)COC[C@H](O)CN1CCCOC(C)(C)C1 371740744 VLYYTGCCTRYULU-CYBMUJFWSA-N 259.390 1.521 0 50 CDAA O=C(NC1CCCC1)[C@H](c1ccccc1)n1cnnn1 71385493 QWLFXDCZLRBQBH-ZDUSSCGKSA-N 271.324 1.321 0 50 CDAA Cc1nnsc1COC(=O)[C@H]1CCO[C@@H](C)C1 240407390 FLWQPNIYKNFVKA-CBAPKCEASA-N 256.327 1.705 0 50 CDAA CC(=O)c1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1O 240551534 GUKPQRWJATURJR-ZDUSSCGKSA-N 290.363 1.761 0 50 CDAA CO[C@@H](C(=O)N1CCC12CCC(CO)CC2)C1CC1 376056656 OUMAOMNTHXNGSU-GLWUULTISA-N 267.369 1.565 0 50 CDAA O=C([C@H]1CCn2cncc2C1)N1CCc2ccncc21 376824002 SLTRBGMRIZCXFF-LBPRGKRZSA-N 268.320 1.430 0 50 CDAA CC[C@H]1COCCN1C(=O)CCCn1cccn1 77452935 WAMAKZGDLYLUAH-LBPRGKRZSA-N 251.330 1.301 0 50 CDAA COc1c(C)cc(C(=O)N2CCO[C@H](C(=O)O)C2)cc1C 263292824 RMFNXFBZZJCLBZ-LBPRGKRZSA-N 293.319 1.238 0 50 CDAA COc1cc(Cl)cc(C(=O)N2CC[C@@H](N)[C@@H](OC)C2)c1 71765188 WRYAEYDKPNUWPR-OLZOCXBDSA-N 298.770 1.537 0 50 CDAA CCN(CC)C(=O)Cn1cc(-c2nc(C(C)C)no2)nn1 72149156 PASWPPBBDDHWJQ-UHFFFAOYSA-N 292.343 1.320 0 50 CDAA Cc1ccc(C[C@@H]2SC(NC(=N)N)=NC2=O)cc1 84460071 NNOYQGOHZDCZFF-VIFPVBQESA-N 262.338 1.019 0 50 CDAA CC(=O)CC[C@H]1C(=O)c2c(O)cc(O)cc2N(C=O)[C@@H]1C 44123107 FUKYMMXGVQFBLQ-MWLCHTKSSA-N 291.303 1.631 0 50 CDAA CCC[C@@H](NC(C)=O)C(=O)N(C)Cc1cn(CC)nc1C 426589697 BNPKRNYRNMCINX-CQSZACIVSA-N 294.399 1.475 0 50 CDAA Cc1c[nH]c(C(=O)N(C)[C@H](C)Cc2cnccn2)n1 223107143 VVBJFXMUECBTGK-SNVBAGLBSA-N 259.313 1.211 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)NCc1ccccc1F 222431044 TZUSAKDHNHPRTD-NDBYEHHHSA-N 291.278 1.096 0 50 CDAA O=c1c(Br)ccnn1-c1ccccc1 141816054 XMRNYULERNEEFD-UHFFFAOYSA-N 251.083 1.995 0 50 CDAA Cc1cc(C)nc(CNC(=O)CC[C@@H]2CCCN(C)C2)n1 95387655 AJNWRFMJQAQYAH-AWEZNQCLSA-N 290.411 1.832 0 50 CDAA COC(=O)C1(OC)CCN(C(=O)OC(C)(C)C)CC1 96321435 MPSOCQILFQVTCO-UHFFFAOYSA-N 273.329 1.576 0 50 CDAA CC(C)[C@]1(O)CN(C(=O)CN(C)C2CCCC2)C[C@H]1C 91593167 RSADJRPINWDFDH-CZUORRHYSA-N 282.428 1.726 0 50 CDAA CCCCn1ccnc1[C@H]1CCCN(CC(=O)N(C)C)C1 95367376 ZDXMBOLFNNDOIQ-AWEZNQCLSA-N 292.427 1.951 0 50 CDAA CCc1nc(CN2CC[C@H](n3nc(C)cc3C)C2)no1 244893020 YTXAHWVNWIIIIV-LBPRGKRZSA-N 275.356 1.892 0 50 CDAA C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@H]1O2)N1CCCCCC1 247679455 RPFZOBCYOHJRLX-RFQIPJPRSA-N 266.385 1.687 0 50 CDAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)COCC1CC1 257365718 IDJGFAUGPQHLFI-HUUCEWRRSA-N 280.412 1.888 0 50 CDAA COc1cc(N2CCN(CCc3cccnc3)CC2)ncn1 184069802 YQPWETSMRRAHGV-UHFFFAOYSA-N 299.378 1.245 0 50 CDAA C[C@@H](C(=O)N1CCOC[C@H]1C(=O)O)c1cccc(F)c1 299753443 YGAHCGKWVQZWRR-SKDRFNHKSA-N 281.283 1.241 0 50 CDAA CCCN1CCC(CNCc2cnc(C)nc2)CC1 356932934 ZRCQBCXXFPFIJA-UHFFFAOYSA-N 262.401 1.997 0 50 CDAA CCO[C@H]1C[C@@H]1C(=O)NCCc1c(C)noc1C 264486196 WOOXGKSOCVXYLB-RYUDHWBXSA-N 252.314 1.375 0 50 CDAA COc1cccc(N2C[C@H](N=c3cncc[nH]3)CC2=O)c1 375780635 ZGVYDFKXRLTZGJ-LLVKDONJSA-N 284.319 1.125 0 50 CDAA Cc1noc([C@@H]2CCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 299800908 TXYNDMHBBRIEIY-SNVBAGLBSA-N 298.306 1.279 0 50 CDAA CCc1cccc(OCCN(C)C[C@H]2COCCO2)c1 661603883 MAIZKAJUKJMYMZ-INIZCTEOSA-N 279.380 1.975 0 50 CDAA NC(=O)C1(NC(=O)Cc2cccc(O)c2)CCCCCC1 584901283 LCVAMIFENSXBDP-UHFFFAOYSA-N 290.363 1.629 0 50 CDAA CN1CC[C@@H]2CN(CC(=O)NCC3CCCCC3)C[C@@H]2C1 585136939 ZGCAAUUXRIMKNH-CVEARBPZSA-N 293.455 1.566 0 50 CDAA CCN1CCC(CNC(=O)c2c(Cl)cnn2C)CC1 667111962 QKLYRDCHSOXWIL-UHFFFAOYSA-N 284.791 1.535 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCOc3ccccc3C2)o1 584885049 GMCGJCGDXZHFAA-UHFFFAOYSA-N 285.299 1.983 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2ccn(CC)c(=O)c2)C1 584892212 IJKCOSYUTOHOAH-CYBMUJFWSA-N 292.379 1.757 0 50 CDAA O=C(NCCN1CCC[C@H](CO)C1)C1CCCCCC1 584889069 NSDLNGDJEIZCMA-AWEZNQCLSA-N 282.428 1.777 0 50 CDAA C[C@]1(C2CC2)COCCN1S(=O)(=O)c1ccoc1 908250491 SPTWGAGLDBFOOZ-GFCCVEGCSA-N 271.338 1.469 0 50 CDAA CNC(=O)C[C@@H]1CCN(Cc2noc(C(C)C)n2)C1 670466658 OXNCXEGZSPDSEU-JTQLQIEISA-N 266.345 1.151 0 50 CDAA COc1cccc2c(=O)n(CCn3ccnc3C)cnc12 584891039 KZGYZEKETPBZJV-UHFFFAOYSA-N 284.319 1.610 0 50 CDAA CN(C)C(=O)CN1CCN(C/C(Cl)=C/Cl)CC1 584907958 QFUGCUQPGPKSFC-YFHOEESVSA-N 280.199 1.011 0 50 CDAA OCc1ccc2c(c1)CN([C@@H]1CCSC1)CCO2 584890891 RIXVLKBNZCQSGK-CYBMUJFWSA-N 265.378 1.879 0 50 CDAA Cc1ccc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)cn1 670452412 MCHCOQFLMFWAHE-STQMWFEESA-N 264.325 1.000 0 50 CDAA CCCc1nc(NCCN2CCC[C@H](CO)C2)no1 670455463 FXFYLCJPZISQIG-NSHDSACASA-N 268.361 1.138 0 50 CDAA COCCn1cnnc1CN(C)Cc1nnc(C(C)C)o1 670457171 XKFCLOFJXLYUAP-UHFFFAOYSA-N 294.359 1.063 0 50 CDAA CCN(CCN1CCCC1)Cc1ncnn1CC 1506415851 AYNDWDKEFRBVCE-UHFFFAOYSA-N 251.378 1.216 0 50 CDAA CC(C)(C(=O)NCCCN1CCC[C@@H](O)C1)n1cccc1 670467087 NIGOFMMDXGJMJU-CQSZACIVSA-N 293.411 1.186 0 50 CDAA CCOc1cc(N[C@H](C)c2nn(C)cc2OC)ncn1 952877724 TVHGAHZEEFRZRJ-SECBINFHSA-N 277.328 1.791 0 50 CDAA COC(=O)C[C@@H](NS(C)(=O)=O)c1ccc(F)cc1F 1875259206 QITJLJWXBGUMGO-SNVBAGLBSA-N 293.291 1.118 0 50 CDAA Cc1occc1CNC(=O)N1C[C@@H]2[C@@H]3COC[C@@H]3[C@H]2C1 1875268532 SYTQRTHIGNFVLH-XDQVBPFNSA-N 276.336 1.622 0 50 CDAA Cc1ncc(C(=O)O)cc1C(=O)N1C[C@@H]2CC[C@]2(CF)C1 1875270815 IEXYEDBMZVFPJH-NHYWBVRUSA-N 292.310 1.910 0 50 CDAA CC(C)(NC(=O)c1cncc(C(=O)O)c1)[C@@H]1CCCCO1 1875281325 GYZZDINFKBIQKL-LBPRGKRZSA-N 292.335 1.857 0 50 CDAA O[C@@]1(c2cc[nH]n2)CCN(c2ncnc3c(F)cccc23)C1 1875288098 NIUNLRTUAKPQRS-HNNXBMFYSA-N 299.309 1.590 0 50 CDAA CCc1cnc2ccccc2c1C(=O)N1CC(O)C1 1875278188 GZLAAOPNHQOKLD-UHFFFAOYSA-N 256.305 1.614 0 50 CDAA COC(OC)c1ccc(C(=O)N[C@H]2C[C@H]2C)c(O)n1 1875335556 UACXNIMKNYDLLB-XCBNKYQSSA-N 266.297 1.217 0 50 CDAA O=C(O)CN1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 72169890 DAJILTJFNLOHGC-DJIMGWMZSA-N 286.375 1.633 0 50 CDAA CCCO[C@@H]1CCCN(C(=O)CN2CCCN(C)CC2)C1 952963255 GOVHRNBCMSAVMI-OAHLLOKOSA-N 297.443 1.042 0 50 CDAA Cn1cccc1CCNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 952968793 IHGKLZVFSRFHEH-GFCCVEGCSA-N 291.395 1.331 0 50 CDAA Cc1c[nH]nc1C(=O)N[C@H]1CCC[C@H]1Oc1cnn(C)c1 888094722 BQFSEGJAOHZLMA-NWDGAFQWSA-N 289.339 1.182 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cnn(C)c2)C1 888079136 CUPWTRSQLREISZ-VXGBXAGGSA-N 261.329 1.105 0 50 CDAA C[C@H](O)CN1CCN(Cc2cscn2)C[C@H]1C 247011228 CEYKKMCUQIFMFJ-MNOVXSKESA-N 255.387 1.030 0 50 CDAA CN[C@H]1CCCN(C(=O)Cc2csc(C)n2)C1 133868308 GVIWZQUIKLNIGU-JTQLQIEISA-N 253.371 1.204 0 50 CDAA CC(C)NC(=O)CCN[C@H]1CCCC[C@@H]1c1ccnn1C 1775994790 DDVAOXREPBLFTA-KBPBESRZSA-N 292.427 1.951 0 50 CDAA C[C@](O)(CNCC1(O)CCC1)c1cccc(F)c1 1336794624 LSBDRKSWDLXXPO-ZDUSSCGKSA-N 253.317 1.538 0 50 CDAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1sccc1Cl 1565515592 VZJZARZILVZSCY-CBAPKCEASA-N 284.768 1.951 0 50 CDAA CCn1cc([C@@H]2OCC[C@H]2CNc2cnccn2)cn1 665746169 ANSWGPNVTUJQOR-SMDDNHRTSA-N 273.340 1.883 0 50 CDAA CCCn1nccc1C(=O)N[C@@H]1CCc2nc(C)ncc2C1 666031192 JJPMQNQVROLBEL-CYBMUJFWSA-N 299.378 1.679 0 50 CDAA CCc1noc(C)c1CN1C[C@H](O)C[C@@H]1c1nc(C)no1 275340861 SMNDRPIFHXBCRY-ZWNOBZJWSA-N 292.339 1.545 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(=O)n(C)c1 277142593 CLTCBKKHGOPVPW-NEPJUHHUSA-N 264.325 1.529 0 50 CDAA C[C@H](NCC(=O)N(C)c1ccccc1)[C@@H]1CCCO1 170077357 RZCAUXHNAACWJN-JSGCOSHPSA-N 262.353 1.807 0 50 CDAA C[C@@](Cn1cnc2ccccc21)(NC(=O)C1CC1)C(=O)O 1592931333 UWPJGRAMLRRGJV-HNNXBMFYSA-N 287.319 1.406 0 50 CDAA C[C@@H](CCc1ccc(O)cc1)NC(=O)CCn1ccnn1 170591091 HPAJSMUIYGRXOC-LBPRGKRZSA-N 288.351 1.511 0 50 CDAA CCC(CC)(CN)C(=O)NCCc1c(C)nn(C)c1C 170687884 MJBJCSSQJKISAX-UHFFFAOYSA-N 280.416 1.461 0 50 CDAA Cc1cccc(CC2(O)CCN(C(=O)[C@H](C)O)CC2)c1 279770908 BNDYPMXGOWAAHW-ZDUSSCGKSA-N 277.364 1.272 0 50 CDAA C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)Cn2ccnc2)C1 282319679 YMZYQVYECNOBNM-BARDWOONSA-N 291.395 1.671 0 50 CDAA CC1(C)CN(C(=O)CCc2cnn[nH]2)[C@@H]2CCC[C@@H]21 633214125 QCVGVJYVQBQZPJ-NWDGAFQWSA-N 262.357 1.774 0 50 CDAA CN1CCC[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)CC[C@@H]21 187380267 GOJKHXYZKPUASE-OCCSQVGLSA-N 288.395 1.843 0 50 CDAA CC(C)C[C@H](CN)CC(=O)O[C@H](C(=O)N(C)C)C(C)C 408525645 NLQFVRDPQWXXCB-JSGCOSHPSA-N 286.416 1.654 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1CCCO1 223851734 JPBJUPZITWZTNP-CYDGBPFRSA-N 281.352 1.800 0 50 CDAA Cc1ccnc2nc(-c3nc(-c4ccccn4)no3)nn12 225555744 QVSXFAJRNCAZAW-UHFFFAOYSA-N 279.263 1.545 0 50 CDAA Cc1nc(-c2cn(C[C@]3(O)CCCOC3)nn2)cs1 641215773 BPKLRUCFZGGWCY-GFCCVEGCSA-N 280.353 1.252 0 50 CDAA CC(=O)NC1CN(C(=O)NCCc2ccc(C)cc2)C1 190128373 KCFVZIJDAJPSCQ-UHFFFAOYSA-N 275.352 1.067 0 50 CDAA CCc1nnc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)s1 585135329 BYJMTCUTUQLFBD-BDAKNGLRSA-N 268.386 1.265 0 50 CDAA Cn1cccc1C(=O)N[C@H]1C[C@H](N2CCOCC2)C1(C)C 585130186 KDGDHWJVXRKPQB-KBPBESRZSA-N 291.395 1.254 0 50 CDAA CC(C)C(=O)N1CCCN(C(=O)Nc2cnns2)CC1 192360675 UIYPSPCLFUNPDY-UHFFFAOYSA-N 297.384 1.260 0 50 CDAA CNC(=O)c1cccc(CCN[C@@H]2CCOC[C@H]2C)c1 192593854 PVROWHDGBXUMMR-IUODEOHRSA-N 276.380 1.603 0 50 CDAA Cc1nc2c([nH]1)C[C@H](C(=O)NC1C[C@H](C)O[C@@H](C)C1)CC2 681535593 WSTQMRRFBZCPCR-JBLDHEPKSA-N 291.395 1.895 0 50 CDAA CC1(C)CN(C(=O)[C@@]2(O)CCOC2)[C@H]1c1ccncc1 563815233 VMPYXGWBVBCMPO-SWLSCSKDSA-N 276.336 1.143 0 50 CDAA CO[C@@H]1CCC[C@H]([C@H](CO)NS(=O)(=O)C2(C)CC2)C1 657076249 OZZQJWWSAPYTGW-TUAOUCFPSA-N 291.413 1.024 0 50 CDAA Cc1cc(CC(=O)N2CCNC[C@H]2c2ccncc2)on1 662812588 IARCIRLVUPRYRH-AWEZNQCLSA-N 286.335 1.094 0 50 CDAA CNC[C@@H]1CCN(C(=O)c2c(F)cc(F)cc2F)C1 86997973 XVTUELJZXWQLCJ-QMMMGPOBSA-N 272.270 1.785 0 50 CDAA CCn1nccc1C(=O)N=[S@@](C)(=O)C(C)(C)C 906324978 NIDMKXFITXQIDA-KRWDZBQOSA-N 257.359 1.940 0 50 CDAA O=C(CN1CCCCCC1)NCC[C@@H]1CCCCN1 1506415724 BYMGJVULSFJCSA-AWEZNQCLSA-N 267.417 1.511 0 50 CDAA C[C@H]1CN(Cc2cncc(Cl)c2Cl)CC(=O)N1 1238007506 KSDUMDIWYIJRHD-ZETCQYMHSA-N 274.151 1.709 0 50 CDAA CC[C@]12COC(=O)N1CCN(Cc1cc(C)no1)C2 1857740203 DIAWOUFDRAKYHM-ZDUSSCGKSA-N 265.313 1.400 0 50 CDAA COCCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 213339389 WRDYCWIEDGTPHL-OLZOCXBDSA-N 295.310 1.489 0 50 CDAA CCc1ccc(CN(CCO)Cc2cnc(C)[nH]2)nc1 1704311385 HIPPOMLPICGBQS-UHFFFAOYSA-N 274.368 1.670 0 50 CDAA CC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)O 2560837 LDCUXIARELPUCD-SNVBAGLBSA-N 286.125 1.581 0 50 CDAA in-vitro CNc1nc(C(=O)NCCc2nnc(C)s2)cs1 215000545 LLRXUSUEMPKEDA-UHFFFAOYSA-N 283.382 1.317 0 50 CDAA CCOC(=O)C(C(=O)OCC)c1cccc(OC)n1 114867062 PNDBXDXYTZJETA-UHFFFAOYSA-N 267.281 1.300 0 50 CDAA in-vitro CCOC(=O)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 3633905 SHIWJJDJQZUXNY-UHFFFAOYSA-N 296.348 1.800 0 50 CDAA Cc1occc1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1054052 SPHXRQFHPCRWIO-CYBMUJFWSA-N 292.335 1.051 0 50 CDAA CC[C@H](NC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)[C@H](O)C(=O)OC 1615546911 IIQMGBSGSLMYAU-IAGXKZSMSA-N 283.368 1.241 0 50 CDAA Nc1ccn2ncc(C(=O)N3C[C@H]4[C@H](C3)C4(F)F)c2c1 1615554427 ROCKQYMLGCSGAC-UWVGGRQHSA-N 278.262 1.254 0 50 CDAA Cn1cc(CN(C(=O)C[C@@H]2CCCO2)C2CC2)cn1 1615587206 VIGJOYPNQRBJBG-ZDUSSCGKSA-N 263.341 1.480 0 50 CDAA CCOc1cccc(CC(=O)N2C[C@H]3CCC[C@@]3(N)C2)n1 1615544577 CBFLYEDEDOZHJL-MLGOLLRUSA-N 289.379 1.363 0 50 CDAA COC(=O)c1cnc(NC(=O)C[C@H]2CCCO2)c(O)c1 1615587350 YFIYVNFGOXFWBR-SECBINFHSA-N 280.280 1.081 0 50 CDAA N=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)CC1 1615612228 DPWZXXRKQOMPNA-UHFFFAOYSA-N 277.412 1.936 0 50 CDAA Cc1cc(C[C@H]2CN(Cc3cnn(C)c3C)C[C@@H]2O)on1 1615964990 XXQCPIMIRZSQDZ-WFASDCNBSA-N 290.367 1.060 0 50 CDAA CC(C)Cc1cc(C(=O)N2CCc3nc[nH]c3C2)n[nH]1 1565524681 SEJHZPWNUJEBTN-UHFFFAOYSA-N 273.340 1.530 0 50 CDAA CC[C@]12C[C@@H]1CN(c1ccc(CS(C)(=O)=O)cn1)C2 1775983283 JKWNOUMZNMXHIB-TZMCWYRMSA-N 280.393 1.863 0 50 CDAA COC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 5997224 UYJLJICUXJPKTB-LSDHHAIUSA-N 299.326 1.692 0 50 CDAA O=C(NCCN1CCOCC1)c1ccc(F)cc1F 16385275 NGJRIPJZYFINPT-UHFFFAOYSA-N 270.279 1.027 0 50 CDAA O=C(Cc1nc2ccccc2o1)N[C@H]1CCSC1 19226523 SBOKYGZKSHBPQL-VIFPVBQESA-N 262.334 1.992 0 50 CDAA CCOC1(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 169804456 VPMAFGGDBMPXNI-UHFFFAOYSA-N 298.383 1.635 0 50 CDAA CCCc1nc(NCCCOC)ncc1C(=O)O 169751206 BEBKVXSQKZREHT-UHFFFAOYSA-N 253.302 1.576 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CCCCCN)C(=O)O 168960011 NTXXFCGREVWJGJ-SECBINFHSA-N 260.334 1.483 0 50 CDAA Cc1ccc(Cl)cc1NC(=O)C[C@H](C(=O)O)N(C)C 4280156 BIHDTGWLCBUWHF-LLVKDONJSA-N 284.743 1.992 0 50 CDAA O=C(NCc1ccccn1)[C@@H]1CC(=O)N(c2ccccc2)C1 4418034 SWPQQYGSWKHUQS-CYBMUJFWSA-N 295.342 1.751 0 50 CDAA Cc1cc(CN2C(=O)[C@@]3(CCNC3)c3ccccc32)on1 1875250381 UFUHAXLBWBXLMK-MRXNPFEDSA-N 283.331 1.761 0 50 CDAA O=C(CCCc1ccc(Cl)cc1)N[C@H]1CCOC[C@@H]1O 629224528 GFMAVJWLTCFKEW-KBPBESRZSA-N 297.782 1.929 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cncc(F)c2)n1 331940260 MQUDJDMTDCAYCH-RNCFNFMXSA-N 292.314 1.874 0 50 CDAA N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 237882920 FRTGIECUKWOZDU-NXEZZACHSA-N 289.335 1.474 0 50 CDAA N[C@@H](C(=O)O)[C@@H](CC(=O)O)c1ccc(Cl)cc1 13818289 ZHXBCPSYEAQEHB-WCBMZHEXSA-N 257.673 1.310 0 50 CDAA in-vitro Cc1csc2ncnc(N3Cc4c(N)nn(C)c4C3)c12 663996083 XQSKISYYKMPHIL-UHFFFAOYSA-N 286.364 1.836 0 50 CDAA COCc1nc(C)cc(N2CCC[C@@H](c3nc[nH]n3)C2)n1 363604556 QVQCEKTWZNVMGM-LLVKDONJSA-N 288.355 1.434 0 50 CDAA Cn1ccc(C(=O)Nc2cccc(C3OCCO3)c2)n1 585126449 ZGKBULABKBAKBQ-UHFFFAOYSA-N 273.292 1.718 0 50 CDAA C=CC(=O)N1CCC[C@@H]([C@H](C)NC(=O)NC(C)(C)C)C1 390834580 FYBWUBVCFFUDKM-NWDGAFQWSA-N 281.400 1.897 0 50 CDAA CC[C@]12C[C@@H]1CN(Cc1cc(=O)n3ccsc3n1)C2 1772807093 PQPDHSNVCWTCOJ-QMTHXVAHSA-N 275.377 1.988 0 50 CDAA c1ccc(CCN(Cc2cnon2)[C@H]2CCOC2)cc1 851806020 GZDANYVLZOVVER-HNNXBMFYSA-N 273.336 1.903 0 50 CDAA O=C(O)c1ccc(N2CC[C@@H](N3CCCCC3)C2)nn1 110345466 ZBEKGNXWUJSSRU-LLVKDONJSA-N 276.340 1.239 0 50 CDAA C[C@H](O)C1CCN(C(=O)[C@@H](N)c2ccccc2)CC1 225415964 AMQDFIBDFHZQTM-FZMZJTMJSA-N 262.353 1.306 0 50 CDAA C[C@H](NS(=O)(=O)c1ccc(C(=O)O)cc1)c1ccon1 225586839 OSJNSNWHVSFHIL-QMMMGPOBSA-N 296.304 1.412 0 50 CDAA COc1ccc(Cl)cc1CC(=O)N1CCN[C@@H](C)C1 237081357 UDKPMPUMVKZLIK-JTQLQIEISA-N 282.771 1.711 0 50 CDAA C[C@@H](NC(=O)c1csc(C(C)(C)C)n1)C(=O)O 262441320 NFBHYBAWFWPRFW-ZCFIWIBFSA-N 256.327 1.644 0 50 CDAA O=C(O)[C@@H]1CC12CCN(C(=O)CC[C@@H]1CCCO1)CC2 262477693 TXXYLOMHCHZXPU-RYUDHWBXSA-N 281.352 1.659 0 50 CDAA O=C(Cc1c[nH]c2ccccc12)NC1(C(=O)O)CCC1 164829330 IPFCXKJHQIGASS-UHFFFAOYSA-N 272.304 1.834 0 50 CDAA OCC1(O)CCN(c2ncccc2C(F)(F)F)CC1 67818325 OCKMFZNNVIFWLS-UHFFFAOYSA-N 276.258 1.424 0 50 CDAA Cc1nc(=NCc2cn3c(n2)SCC3)s[nH]1 328589131 UVWUZEVPXZVLEH-UHFFFAOYSA-N 253.356 1.183 0 50 CDAA CN1CCC[C@@H](C(=O)NC2(CC(=O)O)CCCCC2)C1 426465487 QRRMGNIXMBTOFF-GFCCVEGCSA-N 282.384 1.622 0 50 CDAA CC(C)c1cc(CSc2nnc(CCN)n2C)on1 426698457 PRLQMZNOTJVWJO-UHFFFAOYSA-N 281.385 1.720 0 50 CDAA Cc1ccc(C(=O)N2C[C@@H](N)CC[C@H]2C(F)(F)F)cn1 379279240 PXUVKVHAGRBJTE-QWRGUYRKSA-N 287.285 1.884 0 50 CDAA COC(=O)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O 59879 LIXMAFAZCQHJRS-UHFFFAOYSA-N 288.284 1.730 0 50 CDAA Cc1cnc(Nc2cccn3cnnc23)nc1N(C)C 2100534279 AMEDTYZJZUMLTL-UHFFFAOYSA-N 269.312 1.637 0 50 CDAA CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 13777200 JGGDRYMPCVSLML-UHFFFAOYSA-N 254.337 1.895 0 50 CDAA CO[C@@H](C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)C)C1)C(C)C 1415337805 MOCQWHXLRJRUAK-QWHCGFSZSA-N 298.427 1.668 0 50 CDAA Cn1nc(-c2ccncc2)cc1NC(=O)[C@H]1C[C@H](N(C)C)C1 2325784745 HDMTVZIPDLVQJD-JOCQHMNTSA-N 299.378 1.761 0 50 CDAA Cc1c[nH]nc1-c1ccc(N2C[C@@H](CO)CC2=O)cc1 2325790512 RKCMWRBLHPRQFD-NSHDSACASA-N 271.320 1.730 0 50 CDAA O=C(O)[C@H]1C[C@H]1c1cn(C[C@@H](O)c2ccccc2)nn1 2325806862 LKKNRXMRKUDXMD-NTZNESFSSA-N 273.292 1.200 0 50 CDAA Cn1c(SCc2cnn[nH]2)nnc1C(F)(F)F 2325854151 QAGNDAZRZVRMQM-UHFFFAOYSA-N 264.236 1.244 0 50 CDAA CC(C)(C)OC(=O)N1CCC(CO)(C(=O)O)CC1 140759666 IHFIPZCVDNTGRZ-UHFFFAOYSA-N 259.302 1.081 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(F)c1 67461 ODQMJZXGLCEQHG-LLVKDONJSA-N 264.256 1.627 0 50 CDAA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCNC1=O 287705 MZURRFOUDOALSB-RISCZKNCSA-N 299.374 1.741 0 50 CDAA biogenic CC[C@@H](C)Nc1nc(Cl)nc(N2CCOCC2)n1 300340 ZPNRVMFCDLLZTG-MRVPVSSYSA-N 271.752 1.572 0 50 CDAA COC(=O)[C@@]1(O)CC(C(C)C)=NN1C(=O)c1ccccc1 301900 GOUIYSKCAYHCAC-HNNXBMFYSA-N 290.319 1.406 0 50 CDAA O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 4141476 WOBGMWQXUFMIBY-JTQLQIEISA-N 273.741 1.257 0 50 CDAA O=C(NCCO)c1c2c(nc3ccccc13)CCCC2 4523865 RZWJESLLBWVVPW-UHFFFAOYSA-N 270.332 1.836 0 50 CDAA Cn1c(=O)n(C)c2cc(Br)c(N)cc21 4708371 SXPRALARBJCCIH-UHFFFAOYSA-N 256.103 1.222 0 50 CDAA CCOC(=O)C[C@@H](N)c1ccc(OC)c(OC)c1 4990710 QJFIEJGVDLYEPY-SNVBAGLBSA-N 253.298 1.657 0 50 CDAA CCCCN1C[C@@H](C(=O)Nc2nncs2)CC1=O 8270682 XIABODJSSKAEQR-QMMMGPOBSA-N 268.342 1.125 0 50 CDAA COC(=O)[C@@H]1C[C@@H](C)C(=O)N1C(=O)OC(C)(C)C 22062742 YTLCHNBFNGFDSD-SFYZADRCSA-N 257.286 1.332 0 50 CDAA in-vitro CCOC(=O)C[C@H]1C(=O)NCCN1C1CCCCC1 55376664 VICFIEVHYJHQAA-LBPRGKRZSA-N 268.357 1.073 0 50 CDAA CC(C)CN1CCC(NCCSc2ncn[nH]2)CC1 67867747 UWTJCIFXWXJKCM-UHFFFAOYSA-N 283.445 1.607 0 50 CDAA O=C(NCc1ccc2c(c1)OCCCO2)[C@@H]1CCOC1 66549217 IRYXKCJWXDXPMC-GFCCVEGCSA-N 277.320 1.501 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCN(CC(C)C)C2)n[nH]1 67956410 MBGQAGWSRDTSCZ-LBPRGKRZSA-N 264.373 1.426 0 50 CDAA Cc1cc(OC[C@@H](O)CN[C@H](C)CCO)ccc1Cl 20109929 ZEOGYNAGHYBYCU-NEPJUHHUSA-N 287.787 1.749 0 50 CDAA COC[C@@H]1CCN1C(=O)c1ccc(OC(C)C)cn1 354028215 GKNMNKWANVRGNA-NSHDSACASA-N 264.325 1.730 0 50 CDAA COc1c(F)ccc(F)c1C(=O)N(C)C[C@H]1CCN(C)C1 152013076 YBUWKKMOEYDAFM-JTQLQIEISA-N 298.333 1.997 0 50 CDAA Cn1c(C(=O)N2CCNC(=O)CC2)ccc1-c1ccccc1 173509109 MQBSLDHIBDWJOV-UHFFFAOYSA-N 297.358 1.654 0 50 CDAA CO[C@H]1CCC[C@H](CC(=O)Nc2c[nH]c(C(N)=O)c2)C1 331051188 IIEIDLOVIRYINS-ONGXEEELSA-N 279.340 1.647 0 50 CDAA C[C@H]1CNCCN1C(=O)C[C@@H]1OCCc2ccccc21 125751151 IQAVOOPKGCYWIG-WFASDCNBSA-N 274.364 1.511 0 50 CDAA Cn1cc(CN2CCN=C(O)C[C@@H]2c2ccccc2)nn1 328604307 IMCMHCMHGVWUGV-CQSZACIVSA-N 285.351 1.719 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC12COC2 218494776 DHBYWVJOFBIKRG-QMMMGPOBSA-N 257.286 1.097 0 50 CDAA Cc1nn2cc(CCNc3ccnc(CO)c3)nc2s1 32498386 QCLVAGCCFVOVOY-UHFFFAOYSA-N 289.364 1.641 0 50 CDAA COc1nc(C)nc(N2CC[C@H]3OCCN(C)[C@H]3C2)c1C 285096072 QIRNPSMFKOCYHH-QWHCGFSZSA-N 292.383 1.011 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H](OCC3CC3)C2)cnn1 329828329 JHWDBHGZOIOZSL-CQSZACIVSA-N 275.352 1.816 0 50 CDAA O=C([C@@H](O)c1ccccc1)N1CCn2c(nnc2C2CC2)C1 364382938 PSPLMFWHLNJPCS-AWEZNQCLSA-N 298.346 1.231 0 50 CDAA Cc1ncccc1CNC(=O)N1CC[C@@H](n2cccn2)C1 528261239 TXFYRMNRWPLNIA-CQSZACIVSA-N 285.351 1.743 0 50 CDAA N[C@@H]1CCN(C(=O)c2csc(-c3ccccn3)n2)C1 132322556 OUUHRDHKOFIKIR-SECBINFHSA-N 274.349 1.378 0 50 CDAA CC1(CNC(=O)Cc2ccc(O)c(Cl)c2)COC1 217802780 BZIXZSBQPMPEQI-UHFFFAOYSA-N 269.728 1.741 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](N)CC(=O)O)C1 35629884 YMYPBFLZRYXYQL-UWVGGRQHSA-N 272.345 1.436 0 50 CDAA CCn1cc(C(=O)C(=O)Nc2cnc(C3CC3)nc2)cn1 129095566 GKYPGCWUXCYGOE-UHFFFAOYSA-N 285.307 1.392 0 50 CDAA CCO[C@@H]1C[C@@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)O 262541332 RKALTKGRLPHDFB-MJBXVCDLSA-N 289.331 1.622 0 50 CDAA C[C@]1(C(=O)N2CCN3CCCC[C@@H]3C2)CCCCO1 334558673 RAGOVWLAUIPKRQ-UKRRQHHQSA-N 266.385 1.642 0 50 CDAA N[C@H]1CC[C@H](C(=O)NCCNC2CCCCCC2)C1 237939755 YKNKEZGOBAZKJL-STQMWFEESA-N 267.417 1.542 0 50 CDAA Cc1nc(C)c(CCNC(=O)[C@@H]2CCCN[C@@H]2C)s1 377565618 QQFZCBCMLLCBGL-BXKDBHETSA-N 281.425 1.807 0 50 CDAA C[C@@H](c1cncs1)N(C)C(=O)c1cn2c(n1)CNCC2 72167680 CTXVTDNVVJDVFB-VIFPVBQESA-N 291.380 1.276 0 50 CDAA C[C@@H]1C[C@H]1NC(=O)N[C@H]1CCN(C(=O)c2cccnc2)C1 242302118 YPQAHPXHZVTKPW-KGYLQXTDSA-N 288.351 1.004 0 50 CDAA CO[C@@H](C)CS(=O)(=O)N1C[C@@H](C(=O)O)c2ccccc21 337756160 LYUVRDLNBRPGMR-GXSJLCMTSA-N 299.348 1.040 0 50 CDAA Cc1cc(=O)n2ccn(Cc3nnc(C(C)C)s3)c2n1 530172738 OZOQPIVXFJYVAT-UHFFFAOYSA-N 289.364 1.828 0 50 CDAA O=C(N[C@H]1CCCNC1=O)c1ccc2c(c1)CCCC2 49499260 QAIKUPGEWRODEG-AWEZNQCLSA-N 272.348 1.574 0 50 CDAA O=C(NCc1ccc2c(c1)CCO2)c1n[nH]c2c1CCC2 426652998 RNQJOFUAFPSSNE-UHFFFAOYSA-N 283.331 1.763 0 50 CDAA O=C(Nc1cccc2cnccc12)N1CCOC[C@@H]1CO 96131230 NQUNBCYBOJVPPT-LBPRGKRZSA-N 287.319 1.460 0 50 CDAA Cc1nc2c(C)cccc2cc1C(=O)NCCn1ccnn1 426377993 MRQHJWDSSFPBPS-UHFFFAOYSA-N 295.346 1.873 0 50 CDAA CCOC(=O)N1[C@H]2C=C[C@@H]([C@@H]3C=C[C@H]32)N1C(=O)OCC 230113888 RDLHYUWUQQZKHO-WYUUTHIRSA-N 278.308 1.941 0 50 CDAA OCc1nc([C@@H]2CCOC2)nn1-c1cccc2cccnc12 97323984 LGCMDPHHIXDWOX-GFCCVEGCSA-N 296.330 1.812 0 50 CDAA Cn1cc(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)cn1 91914696 ZURXYXDJYKZIFG-OAHLLOKOSA-N 299.374 1.617 0 50 CDAA Cn1cnc2cc(-c3nc([C@@H]4CCOC4)no3)ccc2c1=O 96149244 FGPHITRLGSAHEB-SNVBAGLBSA-N 298.302 1.487 0 50 CDAA COC(=O)c1ncnc2[nH]cc(Br)c12 97758662 KDGQYLHNPGFXMM-UHFFFAOYSA-N 256.059 1.507 0 50 CDAA CCO[C@H](C)C(=O)N(CC(=O)O)Cc1ccccc1 236906929 UHSCDMJMWMRUJC-LLVKDONJSA-N 265.309 1.525 0 50 CDAA CN(Cc1cnn(CCC(=O)O)c1)Cc1ccccn1 97696386 FJONZIPYAFBDCR-UHFFFAOYSA-N 274.324 1.385 0 50 CDAA COCc1noc([C@H](C)S(=O)(=O)c2ccc(O)cc2)n1 181424634 QPGAUFJBXXQJHY-QMMMGPOBSA-N 298.320 1.457 0 50 CDAA COc1cccc2c1OC[C@H](Cc1cc(C(N)=O)ccn1)C2 95499106 JLGFUYODAGQPMS-NSHDSACASA-N 298.342 1.983 0 50 CDAA COCCCN1CC[C@@H](CNc2nnc(C)o2)C1 95383002 UUBZJEDYDRUHTO-NSHDSACASA-N 254.334 1.148 0 50 CDAA COc1cccc([C@@H]2CCN2C(=O)CN2CCCC2=O)c1 95519231 XPJVCMYFISJTRZ-AWEZNQCLSA-N 288.347 1.591 0 50 CDAA CN(CCCn1cccn1)CC(=O)N(C)c1ccccc1 244691630 JGFVKALJHHXUCI-UHFFFAOYSA-N 286.379 1.868 0 50 CDAA COc1ccc([C@H](NC2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 244718830 LRPHSNSGOSGIRH-BJJXKVORSA-N 292.379 1.671 0 50 CDAA Cc1csc(CCCNC(=O)CN2C[C@@H]3CC[C@H]2C3)n1 244735096 NSYLCDIPEAPENQ-OLZOCXBDSA-N 293.436 1.985 0 50 CDAA Cn1cc([C@H](Nc2noc(C3CC3)n2)[C@H]2C[C@H](O)C2)cn1 244633533 GEOAQKHTNAFCOM-YUSALJHKSA-N 289.339 1.605 0 50 CDAA C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)O)Oc1ccc(F)cc1 268962271 ZVYCKEMZSDGNDU-ZHAHWJHGSA-N 281.283 1.430 0 50 CDAA COC(C)(C)CNc1cc([C@H]2C[C@@H](N)C2)nc(N)n1 252551378 UDKXWUFTQKGCKX-DTORHVGOSA-N 265.361 1.100 0 50 CDAA Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)cc1F 299753332 XVQHQIVWVWXUCB-NXEZZACHSA-N 251.257 1.471 0 50 CDAA Cc1nccn1CC1CCN(CCn2cc[nH]c2=O)CC1 252508651 XQIFNMNCQWSCHA-UHFFFAOYSA-N 289.383 1.094 0 50 CDAA O=C(Cc1ccncc1)NCC1(Cn2ccnc2)CC1 534670083 IONAOLYSCBPLOM-UHFFFAOYSA-N 270.336 1.417 0 50 CDAA COc1cccc(-c2cnn(CC(=O)O)c2C)c1OC 534661134 JYYSBQTWQGKBIG-UHFFFAOYSA-N 276.292 1.960 0 50 CDAA O=C1C[C@H](C(=O)N2CCn3cncc3C2)c2ccccc2N1 290900958 HIKLCVFLDFGISR-ZDUSSCGKSA-N 296.330 1.351 0 50 CDAA COCCN1C[C@@H](Cc2nccc(NC(C)C)n2)CC1=O 299793457 IDEXUULNBMXHBE-LBPRGKRZSA-N 292.383 1.334 0 50 CDAA Cc1cc(C(=O)N(C)[C@H](C)Cc2cnccn2)nc(C)n1 299770137 LWMMJPSRVSERLU-LLVKDONJSA-N 285.351 1.587 0 50 CDAA COC(=O)[C@H]1CCN1c1nccc2sc(C(=O)O)cc12 725344852 AIMNPQNDWXMANS-MRVPVSSYSA-N 292.316 1.746 0 50 CDAA Cc1cccc(NC(=O)CCNC(=O)c2cncn2C)c1 828066228 VPXMZNGIMUBQFW-UHFFFAOYSA-N 286.335 1.487 0 50 CDAA CC(C)S(=O)(=O)NC[C@H]1CCN(C2CCCCC2)C1 822034340 DNWWYFBBJBUQKB-CYBMUJFWSA-N 288.457 1.969 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1NC(=O)[C@]12CCC[C@H]1OCC2 1875311324 UROQLYWOVCOSPM-WMINBDIOSA-N 279.336 1.171 0 50 CDAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)CN1CCCCCCC1 584892458 AOZKMVLDOHNRND-GJZGRUSLSA-N 297.443 1.088 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCCn1cccn1 584888963 HWEXDHVSADYXEF-JTQLQIEISA-N 275.356 1.881 0 50 CDAA COCC1CCN(C(=O)C[C@@H]2CN(C(C)C)CCO2)CC1 584885557 CVCHVFPPZQYLQZ-OAHLLOKOSA-N 298.427 1.371 0 50 CDAA O=C(NCc1cc(O)nc(O)n1)[C@H]1C[C@@H]1Cc1ccccc1 869023220 UFMAHYZBMJBRDM-AAEUAGOBSA-N 299.330 1.383 0 50 CDAA C[C@@H]1CN(C(=O)c2cccn(C3CC3)c2=O)[C@H](C)[C@@H](C)O1 867662678 LUSYDCZFBCBNAL-IJLUTSLNSA-N 290.363 1.821 0 50 CDAA O=C(NCc1ccc2c(c1)CCO2)c1ccn2ncnc2c1 1155589896 NSPXSOJAKXQMQD-UHFFFAOYSA-N 294.314 1.594 0 50 CDAA Cc1ccncc1CCNC(=O)[C@H]1CC[C@@H](N)CC1 870953083 JMRWBGZRNCDQQA-XBXGTLAGSA-N 261.369 1.566 0 50 CDAA CCc1nn(C)cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 271569298 OSNGTRFFIHQGCK-LLVKDONJSA-N 288.355 1.905 0 50 CDAA O=C(O)[C@H](c1ccc(F)cc1Cl)N1CC[C@@H](CO)C1 1875319165 QYZXEDPTVPTHEY-PELKAZGASA-N 287.718 1.919 0 50 CDAA CC(C)(C)OC(=O)NC(C)(C)c1cc(CO)on1 1875391484 CGKXDVJVPCKOHF-UHFFFAOYSA-N 256.302 1.927 0 50 CDAA C=CC(=O)NCC(=O)N[C@]1(C)CCc2ccccc21 1875301451 KTHWRORFLCHTQH-OAHLLOKOSA-N 258.321 1.266 0 50 CDAA Cc1cc(C(=O)NC2(CC(N)=O)CCCCC2)ncn1 891319663 UFVIOEWDONVENM-UHFFFAOYSA-N 276.340 1.093 0 50 CDAA C=CC(=O)NCc1ccc(N2CCCNC2=O)cc1 1335324501 QVAMSQQLGROINB-UHFFFAOYSA-N 259.309 1.409 0 50 CDAA Cc1c(C(=O)O)cccc1N(C)Cc1ncnn1C 1775998124 SNFUGWVANWXILW-UHFFFAOYSA-N 260.297 1.458 0 50 CDAA O=C(Cc1ccc(F)cc1)NC1(c2nnc[nH]2)CCC1 170606214 GLMZCSRRXATLOJ-UHFFFAOYSA-N 274.299 1.682 0 50 CDAA CC1(C)CC[C@H](NCC2(C(N)=O)CCOCC2)C1 408191749 HUQJJPVBKXRBAL-NSHDSACASA-N 254.374 1.437 0 50 CDAA CN(C)S(=O)(=O)N[C@@H](c1ccccc1)C(C)(C)CO 225657843 FZNSZDFVQOWXDI-LBPRGKRZSA-N 286.397 1.142 0 50 CDAA C[C@H]1OCC[C@@H]1S(=O)(=O)NCCc1ccccc1F 188263692 HJVPEYMJSFAMMR-MFKMUULPSA-N 287.356 1.465 0 50 CDAA Cn1ncc2c1CN(Cc1n[nH]c3ccccc13)C2 639321403 SELLIKXNDFZGMG-UHFFFAOYSA-N 253.309 1.812 0 50 CDAA CN1CCC[C@@H](n2cc(-c3ccccc3F)nn2)C1=O 641085873 QVAMQISTFJETHS-CYBMUJFWSA-N 274.299 1.878 0 50 CDAA CC1(CNC(=O)N2CCC[C@H](CCO)CC2)CC1 643380277 DTSXKMCKZWTTKT-LBPRGKRZSA-N 254.374 1.981 0 50 CDAA NC(=O)C[C@@]1(O)CCCN(Cc2cc3ccccc3o2)C1 643745790 ULAMOTGFOJKJEK-INIZCTEOSA-N 288.347 1.635 0 50 CDAA COc1cccc([C@@H](NC(=O)[C@@H]2CCCCO2)C(=O)O)c1 659173580 CTVIFDADUDCCSL-QWHCGFSZSA-N 293.319 1.506 0 50 CDAA CN(c1cccnn1)C1CCN(CCC2(O)CCC2)CC1 571859971 NEWUJTLCUIROMJ-UHFFFAOYSA-N 290.411 1.682 0 50 CDAA Cn1nccc1[C@@H]1CCC[C@@H](NC[C@@H]2CNCCCO2)C1 576626868 LSRFKQVEIWHLLC-KFWWJZLASA-N 292.427 1.414 0 50 CDAA CCc1ncc(C(=O)Nc2ccc(C(=O)NC)cc2C)cn1 1506406206 FDVZPHFNFDBNLH-UHFFFAOYSA-N 298.346 1.959 0 50 CDAA CC(C)CNc1ccccc1C(=O)N1C[C@@H](O)CO1 1857696062 KTZWUUOBIRDDRO-LLVKDONJSA-N 264.325 1.503 0 50 CDAA COc1c(F)ccc(C(=O)NC2(CO)CC=CC2)c1F 1857706145 BLPSRLAWUWPAKU-UHFFFAOYSA-N 283.274 1.784 0 50 CDAA CC[C@@H](C(=O)Nc1cnn(CC)c1C)N(C)CC 1529092559 VBADJCCWKLFEMH-LBPRGKRZSA-N 252.362 1.880 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2cccc(F)c2Cl)CCO1 147379521 OTVSDQFCXSNXKZ-VIFPVBQESA-N 287.674 1.405 0 50 CDAA O=C(Cc1ccon1)NCCc1ccc(C(F)(F)F)cn1 1616022274 AUNZNFCRLURYEK-UHFFFAOYSA-N 299.252 1.990 0 50 CDAA N[C@@H]1CC12CC(NC(=O)c1cc(C(F)(F)F)ccn1)C2 1615545441 HRZNFVJQXXOYOQ-KRBLXSNTSA-N 285.269 1.710 0 50 CDAA N[C@@H]1CC12CC(NC(=O)Cc1ccc3c(c1)NCC3)C2 1615545248 FOFNPGTXJKVZHM-CXOJTPOUSA-N 271.364 1.193 0 50 CDAA Cc1cccc(NC(=O)C[C@H](C(=O)O)N2CCOCC2)c1 5041325 TYMTWRGZZIQNPB-CYBMUJFWSA-N 292.335 1.109 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccon3)n[nH]c21 1857529359 ZHKOYKQLYWFIBP-SFYZADRCSA-N 276.296 1.350 0 50 CDAA Cc1cc2c(cc1CN1C[C@@H]3CC(=O)N[C@@H]3C1)OCCO2 1857667704 VEBNYZUXTHCNHU-QWHCGFSZSA-N 288.347 1.087 0 50 CDAA Cc1cnnc(N2C[C@H](O)[C@@H](N3CCCCC3)C2)c1C 1857667564 HXJIDUAPCCNIKN-KBPBESRZSA-N 276.384 1.129 0 50 CDAA O=C(NCc1nc2ncccc2o1)c1ccc2c(c1)OCO2 1857702729 AZPOTFQLJLUVQP-UHFFFAOYSA-N 297.270 1.882 0 50 CDAA Cc1c(-n2ccnc2-c2ccccc2OCCO)cnn1C 1857704884 JOBZRUJVWHGQCL-UHFFFAOYSA-N 298.346 1.952 0 50 CDAA CCOc1cc(N(C)C[C@@H]2CCc3nccn3C2)ncn1 328635145 UORJKMOAHYMWRJ-LBPRGKRZSA-N 287.367 1.771 0 50 CDAA C[C@@H]1CN(S(=O)(=O)c2cccc3cnccc23)CCN1 391115 QGSCXAWTTISKLF-LLVKDONJSA-N 291.376 1.217 0 50 CDAA in-vitro CN(C[C@H]1CCn2ccnc2C1)C(=O)C[C@H]1CCCCO1 328626942 MFRLDAQEUHZLBQ-UONOGXRCSA-N 291.395 1.863 0 50 CDAA CC[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ncc[nH]1 632043926 UVAAESFOXDOQQC-NEPJUHHUSA-N 298.412 1.047 0 50 CDAA CCc1occc1C(=O)N1CCC[C@@H](c2n[nH]c(=N)o2)C1 636197439 DYRKMJRHDPRHLT-SECBINFHSA-N 290.323 1.657 0 50 CDAA Cn1nccc1S(=O)(=O)N[C@@H]1C[C@H]1C1CCCCC1 336130215 GHMUHHHSYWASLA-NWDGAFQWSA-N 283.397 1.667 0 50 CDAA COCc1ccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)o1 247906441 XAYRCUZSCJUFJV-NEPJUHHUSA-N 293.319 1.609 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2nonc2C)C1 818311482 KYXKWDSZARQUDU-KOLCDFICSA-N 263.301 1.063 0 50 CDAA O=C(c1cnsc1)N1CCC[C@H](C2(O)CC2)C1 1772805001 WHUDITANTVYHTC-JTQLQIEISA-N 252.339 1.520 0 50 CDAA O=C(CCc1ncccn1)NC[C@]12CCC[C@H]1OCC2 830765936 USVATCJJVPSAAJ-IUODEOHRSA-N 275.352 1.485 0 50 CDAA CCC1(C(=O)N(C)Cc2noc(C3CC3)n2)COC1 1142155049 IKLBRTWLLIBOKS-UHFFFAOYSA-N 265.313 1.332 0 50 CDAA CN(Cc1ccon1)CC(C)(C)CN1CCOCC1 124171042 RYWPUOWCZKXOSK-UHFFFAOYSA-N 267.373 1.465 0 50 CDAA CC(C)c1nc(C(=O)N2CCO[C@H](C(=O)O)C2)cs1 236824076 IZIIUFFVSXJGHM-VIFPVBQESA-N 284.337 1.192 0 50 CDAA CN(C(=O)NCc1ccc(C(=O)O)cc1)[C@H]1CCOC1 160387607 HTDDIMKWUPMQGH-LBPRGKRZSA-N 278.308 1.315 0 50 CDAA Cn1ccnc1C(=O)NCCOCc1ccccc1 83058892 PRKYFPWXVDJPEK-UHFFFAOYSA-N 259.309 1.367 0 50 CDAA CCc1nc(C)c(C(=O)N2CCCC[C@H]2C(=O)O)o1 426493126 GHCQZYFYGZXQOM-VIFPVBQESA-N 266.297 1.625 0 50 CDAA O=C([C@H]1CCc2nn[nH]c2C1)N1CC(C2CCC2)C1 334229280 PXSNJRYHRODEFX-JTQLQIEISA-N 260.341 1.168 0 50 CDAA CO[C@@H](C(=O)N1CCC(C)(C(=O)O)CC1)C1CCC1 659782308 QOWSGMMFRYYSPB-LLVKDONJSA-N 269.341 1.515 0 50 CDAA CO[C@H]1CCCN(Cc2nnc3n2CCCC3)C1 377532671 ZXHIEWQBZMAJGD-NSHDSACASA-N 250.346 1.225 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)[C@H]1CC=CCO1)C2 2325799594 KKHYFJLXURCEFQ-WISYIIOYSA-N 265.309 1.043 0 50 CDAA N[C@@H]1CCCN(S(=O)(=O)[C@H]2CCc3ccccc3C2)C1 2325801107 WIUJYAUJLJLSNW-CABCVRRESA-N 294.420 1.297 0 50 CDAA Cn1c2ccccc2c2nc(-c3ncc(O)cn3)nc(O)c21 2325866011 XUCDZDGSIBNUDH-UHFFFAOYSA-N 293.286 1.990 0 50 CDAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc[nH]c(=O)c1 123941167 ZZRHHJNPBBXFGO-LBPRGKRZSA-N 276.336 1.597 0 50 CDAA CN[C@@H]1CCN(S(=O)(=O)c2cccc3cnccc23)C1 133047609 XMHHQYPHTVJOIF-GFCCVEGCSA-N 291.376 1.217 0 50 CDAA O=C(CSC1=NCCS1)NCc1ccco1 243902 KQXXFURALBXSME-UHFFFAOYSA-N 256.352 1.732 0 50 CDAA CC(=O)Cc1nsc(NC(=O)c2ccccc2)n1 428878 DLMNQQBXDYRYHX-UHFFFAOYSA-N 261.306 1.922 0 50 CDAA COC(=O)c1ccc(OC(C)=O)c(C(=O)OC)c1 2512499 MZBAKPXGINZGLK-UHFFFAOYSA-N 252.222 1.185 0 50 CDAA Cc1ccccc1CC(=O)N1CCC[C@]12CCCNC2=O 2356136398 SNIMUZOVEVCTRY-KRWDZBQOSA-N 286.375 1.809 0 50 CDAA CCC[C@@]1(CO)CN(Cc2ccnc(OC)c2)CC[C@H]1O 2356151501 LAKRPVXZEGNTPC-ZBFHGGJFSA-N 294.395 1.436 0 50 CDAA CN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccc2c(c1)OCO2 4792753 VGQOMLZXAWLUNP-QPUJVOFHSA-N 263.249 1.019 0 50 CDAA O=C(NCCCn1ccnc1)c1nc(-c2ccccc2)no1 6700601 YNIZEBYWRTZROY-UHFFFAOYSA-N 297.318 1.753 0 50 CDAA CCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1 6742699 ZCOMDHKDJGBZIO-VXGBXAGGSA-N 268.357 1.042 0 50 CDAA CCC1=NO[C@@H](CNC(=O)CCC(=O)NC2CCCC2)C1 55200178 SITLZJFSGDZGIA-CYBMUJFWSA-N 295.383 1.497 0 50 CDAA Cc1[nH]c2nc(-c3ccco3)nn2c(=O)c1Cl 101207748 OVSBZAUWNJBMRD-UHFFFAOYSA-N 250.645 1.639 0 50 CDAA O=C1N[C@@]2(Nc3ccccc31)C(=O)Nc1ccccc12 8739329 BMSQIJFIMYFICP-OAHLLOKOSA-N 265.272 1.647 0 50 CDAA biogenic COCC1(NC(=O)CCN2CCCCO2)CCCC1 55211957 KCBVWGPHGBJAFO-UHFFFAOYSA-N 270.373 1.479 0 50 CDAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1cc(C)cc(C)c1 54253700 FHZOVUZTCNKEIM-AWEZNQCLSA-N 290.363 1.879 0 50 CDAA COC(=O)[C@H]1C(=O)CC(=O)C[C@@H]1c1ccc(OC)cc1 100324558 TVZUMOMYNHRQPO-TZMCWYRMSA-N 276.288 1.500 0 50 CDAA O=C(Cn1cc2ccccc2n1)NCC1(CO)CCCC1 67805034 WJGWDNWVNBDSFM-UHFFFAOYSA-N 287.363 1.705 0 50 CDAA NC(=O)Nc1cccc(I)c1 20362170 OSCNSMUGOQHBLN-UHFFFAOYSA-N 262.050 1.782 0 50 CDAA COCC1(C(=O)N[C@@H](C)c2cn3ncsc3n2)CCC1 65398891 GIFYVEWMTRSONT-VIFPVBQESA-N 294.380 1.785 0 50 CDAA CCCc1nnc(S)n1CC(=O)N1CC[C@H](CC)C1 120686581 YBVKBGXGCSNZHG-JTQLQIEISA-N 282.413 1.778 0 50 CDAA CCO[C@H]1COC[C@@H]1NC(=O)Cc1nc(C)sc1C 67820127 ZJTQGPPNGDSPEW-RYUDHWBXSA-N 284.381 1.223 0 50 CDAA O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(CCn2cccn2)C1 253394790 KDCOGIXRJNVITF-IUODEOHRSA-N 293.317 1.969 0 50 CDAA Cn1nnc2cc(C(=O)NCc3ccco3)ccc21 619469 YBBOMFVOUVGZEE-UHFFFAOYSA-N 256.265 1.491 0 50 CDAA CNCC(=O)N1CCCc2c(NC(=O)C(C)C)cccc21 253430512 FHIYJLVULNTQNP-UHFFFAOYSA-N 289.379 1.780 0 50 CDAA CCSCN1C(=O)c2ccccc2S1(=O)=O 253419680 AZQJUCGSCWTPDJ-UHFFFAOYSA-N 257.336 1.542 0 50 CDAA c1cnnc(NC[C@H]2CN(C[C@H]3CCCCO3)CCO2)c1 257366032 GSEDGNDYILBWOJ-KGLIPLIRSA-N 292.383 1.158 0 50 CDAA Cn1c([S@](C)=O)nc2c(Cl)cc(Cl)cc2c1=O 30836138 JVKTXHRFDFJDRX-QGZVFWFLSA-N 291.159 1.978 0 50 CDAA Cn1cccc1C(=O)N1CCC(N2CCOC2=O)CC1 856296782 VAOBPTJCKPXCIT-UHFFFAOYSA-N 277.324 1.082 0 50 CDAA CN[C@@H](CO)C(=O)N1CCC(Cc2ccc(F)cc2)CC1 77343828 ZKDKNPVPOCYRQH-HNNXBMFYSA-N 294.370 1.187 0 50 CDAA CNS(=O)(=O)c1cc(NC(=O)C2CCCC2)ccc1O 330838206 WZXNOZHYRUGIIS-UHFFFAOYSA-N 298.364 1.429 0 50 CDAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ccoc1 219853419 KAPFNHOETJMXKT-CHWSQXEVSA-N 288.303 1.641 0 50 CDAA Cc1cnn(C2CCN(C(=O)c3cnsn3)CC2)c1 363658289 AIUKQJJDAZAEHF-UHFFFAOYSA-N 277.353 1.520 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1C[C@H]1C(=O)O 331488951 IYUZUCYVRMHEDQ-KXNHARMFSA-N 269.341 1.419 0 50 CDAA Cc1cc([C@H]2CN(C(=O)C(=O)O)CCO2)ccc1F 368138833 MLPWUOSKQUCISH-LLVKDONJSA-N 267.256 1.119 0 50 CDAA Cc1c(Cl)c(C(=O)N2CCCc3n[nH]cc32)nn1C 333502986 SHNHZIQHNSKFMV-UHFFFAOYSA-N 279.731 1.698 0 50 CDAA CONC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 159562242 UGCXZGSJJYUQAP-LURJTMIESA-N 284.366 1.534 0 50 CDAA Cc1csc(SCC(=O)NC[C@H]2COCCO2)n1 215096467 OWIXRBAGALWYBS-VIFPVBQESA-N 288.394 1.075 0 50 CDAA CC[C@@H]1CN(C(=O)CC[C@@H]2CCC(=O)N2)C[C@@H](CC)O1 333656716 ANPBFCZXDKDWDL-YNEHKIRRSA-N 282.384 1.461 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)N2CCOC3(CCOCC3)C2)C1 333825678 JZGDKVGZWFIXBY-BETUJISGSA-N 298.383 1.145 0 50 CDAA CSc1ccccc1C(=O)N[C@@H](C)c1nc(=O)[nH][nH]1 215873694 RYEKZMHYQLIHOP-ZETCQYMHSA-N 278.337 1.311 0 50 CDAA Cc1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)n(C)n1 262391563 ZVRPRGKDIUKDEI-ZDUSSCGKSA-N 299.330 1.553 0 50 CDAA Cn1ncc(Br)c1CN1C[C@@H](F)C[C@H]1CO 335353457 RWYQUFLEICKTRY-YUMQZZPRSA-N 292.152 1.087 0 50 CDAA C[C@H]1C[C@H](C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)CCO1 262698625 FTYCHGQUSKHFKF-VHSXEESVSA-N 295.339 1.456 0 50 CDAA CO[C@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)CC[C@H]1N 71767949 HSQPGDXXTQOICU-OLZOCXBDSA-N 279.384 1.431 0 50 CDAA O=S(=O)(CC1CC1)N1CC[C@H]([C@@H]2CCOC2)C1 336172206 SASDTQNURYGSDP-NWDGAFQWSA-N 259.371 1.085 0 50 CDAA Cc1cc(O)ncc1C(=O)N1CCCC[C@H]1c1ncon1 378095833 CKAFXORQULZSDB-NSHDSACASA-N 288.307 1.846 0 50 CDAA CCCN(Cc1ncnn1CC)C[C@@H]1CCCO1 216362740 UGPYLTZIPMFBAO-LBPRGKRZSA-N 252.362 1.689 0 50 CDAA O=c1[nH]c(Br)ccc1Br 34349487 UWOBDDBEPIQXKC-UHFFFAOYSA-N 252.893 1.900 0 50 CDAA CNC(=O)c1ccc(CN(C)[C@H]2CCCC[C@H]2O)o1 239539254 AVYSPKCBHCKFIZ-NWDGAFQWSA-N 266.341 1.375 0 50 CDAA O=C(Cn1nc2ccccc2n1)NC[C@@H]1CCCCO1 215756119 WWVBOTGGQNFPTP-NSHDSACASA-N 274.324 1.117 0 50 CDAA CC[C@H](O)CNc1ccc(-c2nc(COC)no2)cn1 72434372 OFIZTCXKGNYGSK-JTQLQIEISA-N 278.312 1.461 0 50 CDAA CCOCCNC(=O)C(=O)NC[C@H]1CCCC[C@H]1C 340021817 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1.210 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)CCc1scnc1C 1565514229 YEXHVFMYMXAUGT-QWRGUYRKSA-N 284.381 1.304 0 50 CDAA CCCCSc1nc(N)cc(N[C@H]2CCNC[C@@H]2O)n1 1565509398 VRJRQOMIHRKRIA-UWVGGRQHSA-N 297.428 1.086 0 50 CDAA O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169619732 VPQWDGNJPXQZTL-ZDEQEGDKSA-N 272.304 1.221 0 50 CDAA O=C(N[C@H]1CCCOc2c(F)cccc21)[C@H]1CCCN1 169812975 MDVMLKNZHKKHBM-QWHCGFSZSA-N 278.327 1.908 0 50 CDAA Cc1ccccc1[C@@H]1CN(C(=O)NCC(C)(C)N)CCO1 579333746 ZNTVSJXKNBFMCK-AWEZNQCLSA-N 291.395 1.815 0 50 CDAA CCS(=O)(=O)c1ccc(N(C)C[C@@H]2CCOC2)cc1 170604494 DEEFWWPXEKJJNP-LBPRGKRZSA-N 283.393 1.953 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCCN(C)C(=O)C1 170604621 UWPFIXKFKJMOSY-SECBINFHSA-N 279.340 1.086 0 50 CDAA O=C1COc2ccc(/C=C/c3ccncn3)cc2N1 170619175 VCHGHPYFIWAHPL-HNQUOIGGSA-N 253.261 1.978 0 50 CDAA Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CC(C)(O)C1 170614778 RQLNHLVZKKUBRT-UWVGGRQHSA-N 251.351 1.753 0 50 CDAA CCc1cnc([C@H](C)NC(=O)NC[C@H](C)O)s1 170614785 FKOFPUKUPMQFFQ-YUMQZZPRSA-N 257.359 1.447 0 50 CDAA CSC1CCN(C(=O)c2ccc3nnc(O)n3c2)CC1 601693270 IBPFDPUCRQMKHK-UHFFFAOYSA-N 292.364 1.403 0 50 CDAA CC(C)(C)n1ncnc1CN1CCC[C@H](CC(N)=O)CC1 671506228 VUFMQFWDFKHPHG-LBPRGKRZSA-N 293.415 1.511 0 50 CDAA COC[C@H]1[C@@H](NC(=O)COc2ccccc2)[C@H]2CCO[C@H]21 1074602432 BWMJIGAOOQQGDC-BFJAYTPKSA-N 291.347 1.232 0 50 CDAA CC(C)=C(F)C(=O)N1CCO[C@H](C)[C@H]1c1nc(C)no1 583620923 GUMIMOHZQNJMFV-KCJUWKMLSA-N 283.303 1.930 0 50 CDAA Cc1nc(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)[nH]c1C 585079838 AFUBLYVLEHKWAH-SNVBAGLBSA-N 294.355 1.974 0 50 CDAA CN=[S@](C)(=O)CCNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585128033 QCVFZWCDRIYGPS-FNNWNWGMSA-N 272.414 1.657 0 50 CDAA O=C(NS(=O)(=O)Cc1cccnc1)[C@@H]1CC[C@H]2C[C@@H]2C1 408504567 VIGRAYVGSCFIIO-YNEHKIRRSA-N 294.376 1.464 0 50 CDAA C[C@H]1CCNC(=O)[C@H]1NCc1cccc2c1CCOC2 639625269 RTEMOISJVSPNNK-NHYWBVRUSA-N 274.364 1.374 0 50 CDAA CCN(CC)C(=O)[C@H](C)[S@](=O)c1ccoc1C 189655728 LRHDSPYOCIZASW-BTDLBPIBSA-N 257.355 1.953 0 50 CDAA COCCn1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)n1 190985914 WNYULFKNIQECIN-GHMZBOCLSA-N 267.329 1.283 0 50 CDAA Cc1ccccc1C1(CNC(=O)c2cncnc2N)CC1 192343614 FOIBDGRYGKFROT-UHFFFAOYSA-N 282.347 1.829 0 50 CDAA Cc1cc(C(=O)NC2(CO)CCC2)nn1C(C)C 649366453 UMVFREGRVGHKMX-UHFFFAOYSA-N 251.330 1.417 0 50 CDAA CNc1ncnc2c1cnn2C[C@@H](O)C1CCCCC1 193758181 RRTUQCQTKZGCIU-GFCCVEGCSA-N 275.356 1.809 0 50 CDAA Cc1nc(C)c(Cn2cnc([C@H]3COCCN3)n2)s1 567674186 BSIBMTURXSENAK-SNVBAGLBSA-N 279.369 1.061 0 50 CDAA O=C(NC1(C(=O)O)CC1)[C@H]1Cc2cc(Cl)ccc2O1 203652170 IPYZOYWXXXJKOX-SNVBAGLBSA-N 281.695 1.377 0 50 CDAA COc1nccc(I)c1C=O 2546092 GNBKAOHTTIVAMT-UHFFFAOYSA-N 263.034 1.507 0 50 CDAA in-vitro COCCn1cc(CN[C@@H]2COC(C)(C)C2)cn1 418158892 YNCMAXLWAXPXEX-LBPRGKRZSA-N 253.346 1.187 0 50 CDAA CN(Cc1ccccn1)C(=O)[C@H]1NCCOc2ccccc21 1615616283 ZSKQTRYOCVGRBH-INIZCTEOSA-N 297.358 1.763 0 50 CDAA CC(C)c1noc(CN(C)Cc2cccnc2N)n1 216295111 IIBHRPFPYGARGJ-UHFFFAOYSA-N 261.329 1.802 0 50 CDAA NS(=O)(=O)Nc1ccc(Br)cc1 13488094 GNUOARQRACPGBC-UHFFFAOYSA-N 251.105 1.065 0 50 CDAA O=C(/C=C/c1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1 14505068 VATOSFCFMOPAHX-ZAFLOJKISA-N 299.326 1.961 0 50 CDAA endogenous,in-man C[C@@H](CN1CCOCC1)OC(=O)CCc1ccccc1 19456357 DWMJRVGBQPYABD-AWEZNQCLSA-N 277.364 1.883 0 50 CDAA O=c1[nH]c(N2CCCC2)nc2nccc(-c3ccncc3)c12 19973882 VXWBNJBRIQILHT-UHFFFAOYSA-N 293.330 1.980 0 50 CDAA COC(=O)C(=O)Nc1cc(-c2cccc(OC)c2)no1 169620383 HOGJRRCBRMXDGA-UHFFFAOYSA-N 276.248 1.462 0 50 CDAA N=c1[nH]c(C(=O)NCc2cccn3nccc23)cs1 1857692062 MWBAGCCDSNDKMT-UHFFFAOYSA-N 273.321 1.133 0 50 CDAA CS[C@H](C)C(=O)N1CCN(C2CCCC2)C(=O)C1 1857703566 NABVHNMTHZCNFU-SNVBAGLBSA-N 270.398 1.351 0 50 CDAA COC(=O)c1c[nH]c(=N[C@H]2CCCCCC[C@@H]2O)cn1 1857667731 NKYLJUQMPTZBSB-JQWIXIFHSA-N 279.340 1.181 0 50 CDAA CC1(C)C[C@]1(c1n[nH]c(CC(N)=O)n1)c1cccs1 1857681383 BYGIGNBFFIXFEP-CYBMUJFWSA-N 276.365 1.610 0 50 CDAA O=C(C1CCCCCC1)N1C[C@@H]2[C@H](CO)[C@H]3CC[C@]2(C1)O3 1857711531 FEOWTQLEJSPODI-KLZNWCGWSA-N 293.407 1.955 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1sccc1C 73761 SJTTVGGXJBKMTI-VIFPVBQESA-N 266.322 1.857 0 50 CDAA COC[C@H](C)N[C@H](c1nc(C)no1)C1CCOCC1 328634844 UICHIUPJSXRLMU-CABZTGNLSA-N 269.345 1.470 0 50 CDAA C[C@](O)(CC(=O)N1CCC[C@@H]1c1ccc(O)nn1)C1CC1 530080316 QOTOZMIXHIZXMW-DOMZBBRYSA-N 291.351 1.397 0 50 CDAA CCc1ncncc1C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 530985840 APTLZHWRCXZHMV-SNVBAGLBSA-N 290.367 1.168 0 50 CDAA Cc1ccc(CCCC(=O)N2CCO[C@@H](C(=O)O)C2)cc1 237692118 GPJSRHMZDSOEFQ-CQSZACIVSA-N 291.347 1.630 0 50 CDAA O=C([C@@H]1C[C@@]12CCOC2)N1CCCc2occc2C1 334142388 NXGHFCSZMUOYCA-SWLSCSKDSA-N 261.321 1.981 0 50 CDAA CC(=O)Nc1ccn([C@H]2CCN(c3ncc(C)cn3)C2)n1 681819433 INLOWAVHLACYJQ-LBPRGKRZSA-N 286.339 1.391 0 50 CDAA C[C@@H](NC(=O)C1(C(=O)O)CC1)c1nc(C(C)(C)C)no1 154944538 ZIECTMWQMOGCTM-SSDOTTSWSA-N 281.312 1.409 0 50 CDAA Cc1cccnc1C(=O)N(C)C[C@@H]1CCn2ccnc2C1 583622913 GVRVKMSBYDUOSH-CYBMUJFWSA-N 284.363 1.921 0 50 CDAA O=C(Nc1ccc2nncn2c1)[C@@H]1CCn2cncc2C1 376876088 LOSYYOVIWJBOIC-SNVBAGLBSA-N 282.307 1.127 0 50 CDAA Cc1noc(CCNC(=O)c2cc(Cl)cc(F)c2N)n1 390833827 NPZLLIJNGFFZAC-UHFFFAOYSA-N 298.705 1.725 0 50 CDAA Cc1ccccc1[C@@H](C)C(=O)NCCc1nc(=O)o[nH]1 935706656 XUAXLZOHMNWZHI-SNVBAGLBSA-N 275.308 1.134 0 50 CDAA COC(=O)C[C@@H]1CSCCN1Cc1oc(C)nc1C 225678508 JZKUITOWOCNDQA-LLVKDONJSA-N 284.381 1.772 0 50 CDAA O=C1[C@@H](N2CCC[C@@H](CCO)C2)CCN1CC(F)(F)F 229711204 CJJGWJOCNLQSCC-QWRGUYRKSA-N 294.317 1.244 0 50 CDAA NC1(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)CCCCC1 237900212 OWJWMJMOIDWNJG-CHWSQXEVSA-N 282.384 1.054 0 50 CDAA CC(C)c1nc(C(=O)N2CCC[C@H]2C(=O)O)cs1 262887669 MZSFPZLVKMBEHD-VIFPVBQESA-N 268.338 1.956 0 50 CDAA C[C@@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1C 293267646 BUOJQFRTCIXFBF-GHMZBOCLSA-N 284.381 1.053 0 50 CDAA COc1ccc2c(c1)C[C@@]1(CC2)NCCc2[nH]cnc21 65396491 WHEASAASSFRGGF-MRXNPFEDSA-N 269.348 1.948 0 50 CDAA Cc1c(CN(C)CC(=O)NCc2cccs2)cnn1C 353466262 XWVZSGHREZEZEH-UHFFFAOYSA-N 292.408 1.538 0 50 CDAA Cc1cc(C(F)(F)F)cc(N2CCO[C@@H](CCN)C2)n1 534647830 QOOYHBCLTPRAPJ-NSHDSACASA-N 289.301 1.963 0 50 CDAA O=C1NCCN(Cc2cnns2)[C@@H]1c1cccs1 331650596 QRQJPKBKKYLSQZ-SNVBAGLBSA-N 280.378 1.273 0 50 CDAA CN(CCO)CCN(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 691251805 ZQIDYBWVVZINOH-MELADBBJSA-N 268.401 1.195 0 50 CDAA CCOc1ccccc1-c1nc(-c2nonc2N)no1 129151 QLJHWGZIPMJSLF-UHFFFAOYSA-N 273.252 1.768 0 50 CDAA COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 2877581 ILNWXMZIYSAMFC-UHFFFAOYSA-N 296.282 1.831 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)c1ccnc(CN)c1 2325737534 HZOOXKBYCBTFTL-UHFFFAOYSA-N 288.307 1.216 0 50 CDAA O=C(NCCSc1ccc(F)cc1)N1CCNCC1 2325752654 JWXOQAZHNZIJEU-UHFFFAOYSA-N 283.372 1.533 0 50 CDAA CCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 86867 DMGRHOZMGMKIBU-KRWDZBQOSA-N 296.326 1.909 0 50 CDAA CN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 93897 AXONVSGLFJYKHU-INIZCTEOSA-N 282.299 1.519 0 50 CDAA CCC1=NN(C(=O)C(C)C)[C@@](O)(C(F)(F)F)C1 108273 OZLVZPOXYMOILR-VIFPVBQESA-N 252.236 1.892 0 50 CDAA O=C(c1ccccc1)N1[C@@H](O)CC[C@]12CSCC2=O 246224 CSZSRTHSTXUTBK-GXTWGEPZSA-N 277.345 1.296 0 50 CDAA biogenic ON1[C@H](c2ccccc2)C[C@@]2(O)c3nonc3CC[C@@H]12 1226993 WLHHCRHOUSLOPF-SCRDCRAPSA-N 273.292 1.408 0 50 CDAA COCC(=O)N(c1c(C)cccc1C)[C@@H](C)C(=O)OC 1532070 ZQEIXNIJLIKNTD-LBPRGKRZSA-N 279.336 1.844 0 50 CDAA endogenous,in-man Cc1cc(=O)oc2cc(OS(C)(=O)=O)ccc12 1703050 CYBDGWFDZXOFSR-UHFFFAOYSA-N 254.263 1.440 0 50 CDAA COc1cc(C=O)c(Br)cc1OCCO 2027949 VHAPATNEFIOGOG-UHFFFAOYSA-N 275.098 1.641 0 50 CDAA O=C(OCCCC(=O)N1CCOCC1)c1ccccc1 2276065 ZVJNULARXXRCCS-UHFFFAOYSA-N 277.320 1.482 0 50 CDAA O=C(CCCOc1ccccc1)N[C@@H]1CCSC1=O 2992820 POEMXECLTTUQIS-GFCCVEGCSA-N 279.361 1.994 0 50 CDAA COC(=O)[C@H]1CC12CCN(C(=O)Cc1ccccn1)CC2 2356160338 NPARUEDQNFUCOQ-CYBMUJFWSA-N 288.347 1.426 0 50 CDAA CCS(=O)(=O)N1CCC(N2CCC[C@H](C)C2)CC1 4744106 KJHRSAIJHNPEJG-LBPRGKRZSA-N 274.430 1.532 0 50 CDAA CN1CCN(NC(=O)CSc2ccccc2)CC1 4750129 IBKVJDIIWFWYLA-UHFFFAOYSA-N 265.382 1.057 0 50 CDAA NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6678600 FURRSQJRILPGMI-UHFFFAOYSA-N 288.394 1.412 0 50 CDAA COc1cc(S(=O)(=O)n2ccnc2)c(OC)cc1C 6705482 OSSMYSVMHNRCRZ-UHFFFAOYSA-N 282.321 1.446 0 50 CDAA Cc1cc(F)ccc1CNCC1(O)CCOCC1 112717354 UQBVPNRWELCJBS-UHFFFAOYSA-N 253.317 1.765 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cnc[nH]2)n1 344860241 VWYGQEVZBZPBEU-KCJUWKMLSA-N 263.301 1.063 0 50 CDAA COCCNC1CCN(C(=O)OC(C)(C)C)CC1 8698506 JDQHOQBFYIPISR-UHFFFAOYSA-N 258.362 1.622 0 50 CDAA COc1cc(C)ccc1S(=O)(=O)n1cccn1 8714881 FODGGLJLKXTOEM-UHFFFAOYSA-N 252.295 1.437 0 50 CDAA CCc1c(C)nc(NC[C@@H]2CCCNC2)[nH]c1=O 57329940 ZGFVDNKDOBPABT-SNVBAGLBSA-N 250.346 1.052 0 50 CDAA O=C(O)CCCNC(=O)CCN1CCCCCCC1 55370864 BXJPHSJFLDIQFM-UHFFFAOYSA-N 270.373 1.624 0 50 CDAA Cc1nc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)c[nH]1 20861224 ZSTQLYCWZYBSFB-GFCCVEGCSA-N 271.320 1.794 0 50 CDAA C[C@]1(C(=O)O)[C@@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@H]1O3 100878102 SHILXQQNBXOABD-KOZAUXTDSA-N 285.299 1.448 0 50 CDAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCCO3)[C@H]1C=C[C@H]2C1 101654282 YTULDZRSORQMNU-CHPZLBCBSA-N 297.310 1.769 0 50 CDAA CC(=O)N1CC(c2nc(Cc3ccc(C)s3)no2)C1 347501365 XOTSYNIBBLZYNU-UHFFFAOYSA-N 277.349 1.976 0 50 CDAA Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCN(C)CC2)c1 20345422 VNKIGYKSQBQSBT-AWEZNQCLSA-N 276.380 1.845 0 50 CDAA Cn1ncc(C(=O)Nc2cc(Cl)cc3c2OCC3)c1N 135971545 RCNLUMROAHTFKH-UHFFFAOYSA-N 292.726 1.843 0 50 CDAA N[C@@H]1CC[C@@H](NC(=O)c2cccc3c2NCCC3)C1 67934915 BNYRXPWPTFLQKZ-VXGBXAGGSA-N 259.353 1.654 0 50 CDAA O=C(NCC(=O)N1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2N1 252487397 WLNFUCYBFSGRBD-MCIONIFRSA-N 293.411 1.036 0 50 CDAA O=S1CCN(C/C=C/c2ccc(F)cc2)CC1 119424284 ZSSAXMJAMKNGBA-OWOJBTEDSA-N 253.342 1.903 0 50 CDAA CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(C[C@@H](C)O)CC2)C1(C)C 229447606 VKHQEPYAGDBIKO-KFWWJZLASA-N 294.439 1.750 0 50 CDAA CNC(=O)[C@@H](N)Cc1c[nH]c2c(Cl)cccc12 214489836 OTSZNVZGULSCPG-JTQLQIEISA-N 251.717 1.437 0 50 CDAA CCc1nc(C)c(C(=O)NCc2cn3c(n2)SCC3)o1 215649284 IEVKPNZESXASEZ-UHFFFAOYSA-N 292.364 1.778 0 50 CDAA COc1ccc([C@H](C)C(=O)N2CC[C@@](F)(CO)C2)cc1 253392904 IUKBWUXFUFABID-NHYWBVRUSA-N 281.327 1.732 0 50 CDAA C[C@H](CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CCOC[C@H]1C 253370237 OCUWOJHJGIJUTM-LJIZCISZSA-N 296.455 1.889 0 50 CDAA c1n[nH]cc1CCCN1CCC(N2CCSCC2)CC1 32553506 JUDBQYSXZHEMQZ-UHFFFAOYSA-N 294.468 1.856 0 50 CDAA CNC(=O)[C@H]1CN(C(=O)/C(F)=C/C2CCCCC2)CCO1 253418319 MLKSRCLYJJUVGZ-KIWPFMIBSA-N 298.358 1.394 0 50 CDAA CCC(=O)N1CC[C@@H](NC(=O)c2cccc3c2OCO3)C1 153345549 LUSMDVZJEIHUNZ-SNVBAGLBSA-N 290.319 1.156 0 50 CDAA CN(C)C(=O)CN1CCCN(c2cccc(F)c2F)CC1 328598783 OLGWYQRCSULDRC-UHFFFAOYSA-N 297.349 1.565 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2c2nnc(C)o2)c1 284411055 BNGQNCPYCWJOGN-AAEUAGOBSA-N 275.308 1.699 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)ccc1-n1cncn1 154271179 SINVITHPOWNMBA-STQMWFEESA-N 299.378 1.398 0 50 CDAA Cc1noc([C@H]2C[C@H](O)CN2CCc2csc(C)n2)n1 328629529 OXLFOHBZJUBGKA-NWDGAFQWSA-N 294.380 1.493 0 50 CDAA CCO[C@H](C)C(=O)N(C)C[C@H]1CCc2nccn2C1 328624737 KCUBDQCSGSNBFC-VXGBXAGGSA-N 265.357 1.329 0 50 CDAA Cc1noc([C@@H]2CCN(Cc3ncnn3C(C)C)C2)n1 331506855 DFWDSBODRYXKOZ-LLVKDONJSA-N 276.344 1.540 0 50 CDAA CCOCC(=O)N1CCC(Cc2noc(C)n2)CC1 219299324 GXBCSPCSNZXREM-UHFFFAOYSA-N 267.329 1.196 0 50 CDAA O=C(CCC1CC1)N1CC[C@H](N=c2ccc3nccn3[nH]2)C1 329126341 YLQCHTRETOQNHW-ZDUSSCGKSA-N 299.378 1.354 0 50 CDAA O=C(O)[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CCN1 71497935 JXJIUDHXWJIBCR-ZDUSSCGKSA-N 284.319 1.006 0 50 CDAA COC(=O)[C@H]1CCn2c(nnc2-c2ccccc2OC)C1 260092357 CGUDRFMXWMKKFY-JTQLQIEISA-N 287.319 1.689 0 50 CDAA NC(=O)c1ccccc1CC(=O)N1CC[C@H](c2ccco2)C1 365212733 XJZNXGXVIFMRHU-ZDUSSCGKSA-N 298.342 1.937 0 50 CDAA COc1cccc(/C(C)=C/C(=O)N2CCN[C@H](C)C2)c1 155155654 ONPBGYAGLNTYHJ-CNELAYHGSA-N 274.364 1.919 0 50 CDAA C[C@H](CN(C)C(=O)c1ccc(F)c(Cl)c1)c1nnn[nH]1 124237984 QDLISSYNOCZBFX-SSDOTTSWSA-N 297.721 1.868 0 50 CDAA C=CC(=O)NCCC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 367848892 VSPURLRPQCZKBD-NSHDSACASA-N 296.758 1.002 0 50 CDAA CCOC[C@H](C)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 330528110 FCOGHITWLJNDMI-YWPYICTPSA-N 294.399 1.097 0 50 CDAA CC(C)(C(=O)N1CC[C@H](C(=O)O)C1)c1cccs1 236694551 MCQYMMOSMIPXCR-VIFPVBQESA-N 267.350 1.959 0 50 CDAA C[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H](C2CC2)O1 373428345 UIKVSQDXNYVWCE-NOZJJQNGSA-N 275.352 1.538 0 50 CDAA CC[C@@H]1CN(c2nc(O)c3c[nH]nc3n2)C[C@@H](CC)O1 333491305 DKDXXYVHFFFWLY-RKDXNWHRSA-N 277.328 1.452 0 50 CDAA N[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)c(F)c2)C1 158351332 HEJBKLFNKSASLM-GFCCVEGCSA-N 288.326 1.575 0 50 CDAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN[C@@H](C)C2)c1 237304012 URYWPTHNAMHVSU-CQDKDKBSSA-N 274.364 1.619 0 50 CDAA Cn1nccc1C1CCN(C(=O)[C@@H]2CCCCN2)CC1 237677554 LUZIKYHUBOXTII-ZDUSSCGKSA-N 276.384 1.268 0 50 CDAA CS(=O)(=O)CCC(=O)N1CCC[C@H]1c1ccccc1 75520024 HFZZSEPYJXEHRZ-ZDUSSCGKSA-N 281.377 1.785 0 50 CDAA O=C(c1cccc(Nc2cnccn2)c1)N1CCCNCC1 237874588 ZCLDWVNMPANYBG-UHFFFAOYSA-N 297.362 1.656 0 50 CDAA CCC[C@@H](C(=O)O)N1CCN(CC(F)(F)F)CC1 216576639 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CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(C)[nH]n1)C2 219851005 XVTQKMZSCLEBAJ-NEPJUHHUSA-N 290.367 1.191 0 50 CDAA CC[C@@]1(C)COCCN1C(=O)c1csc(O)n1 329896961 CTHQANLFYOUYIF-NSHDSACASA-N 256.327 1.490 0 50 CDAA CO[C@@H]1C[C@H](C(=O)N(C)Cc2c(C)noc2C)CC[C@@H]1O 1704354419 BWBMOQWWMOCZGB-KWCYVHTRSA-N 296.367 1.426 0 50 CDAA CC[C@@]12C[C@H]1CN(c1cc(-n3cccn3)ncn1)C2 1772805608 QLJWZUHMPMHAGS-FZMZJTMJSA-N 255.325 1.899 0 50 CDAA CC(C)c1cnc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)nc1 1857668871 LMTGXODEBAYTMX-SWLSCSKDSA-N 291.351 1.528 0 50 CDAA CN(Cc1ncc[nH]1)[C@@H]1CCOC2(CCNCC2)C1 1857672290 PLKIGVKGTVPURQ-GFCCVEGCSA-N 264.373 1.143 0 50 CDAA COc1cc(-c2nccn2[C@H]2CCOC[C@@H]2OC)ccn1 1857684122 ZSIMNZKZEHOARU-STQMWFEESA-N 289.335 1.930 0 50 CDAA N=c1ccc(C(=O)N2CCc3[nH]nc(C4CC4)c3CC2)c[nH]1 1857698324 LNZVLDRUDPZVEM-UHFFFAOYSA-N 297.362 1.336 0 50 CDAA O=C(CCc1cccnc1)NCc1nc2ncccc2o1 1857699029 FIUROZUTHGRLKK-UHFFFAOYSA-N 282.303 1.867 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)NCc2ncnn2C(C)(C)C)C1 252479655 BJIYEEBDOLRSRK-QWRGUYRKSA-N 295.387 1.400 0 50 CDAA O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccncc2)[C@H]2C=C[C@H]1C2 100631256 VPQWDGNJPXQZTL-CYDGBPFRSA-N 272.304 1.221 0 50 CDAA O=C(c1nc[nH]c2nccc1-2)N1CC([C@H]2CCOC2)C1 614254164 GFSYNURLZIVCQS-VIFPVBQESA-N 272.308 1.018 0 50 CDAA CN(CC1(N(C)C)CCC1)C(=O)N[C@H]1CCC[C@@H]1CCO 225472271 OJVNVVPSHDWSBP-KGLIPLIRSA-N 297.443 1.663 0 50 CDAA O=C(NC1(c2ccccc2)CCC1)[C@H]1C[C@H]1C(=O)O 225457626 CLDCQOAJGWQHCB-NWDGAFQWSA-N 259.305 1.903 0 50 CDAA COc1ccc(N2CCN(C(=O)c3ccncc3)CC2)nc1 332385538 JCCWTLXNVDSPKY-UHFFFAOYSA-N 298.346 1.448 0 50 CDAA O[C@H]1CCC[C@@H]1CNc1nccc(-c2cnccn2)n1 333508608 DQIDMTBQZIHAIM-MFKMUULPSA-N 271.324 1.507 0 50 CDAA Cc1nn(C)c(C)c1CN[C@H](C1CC1)[C@@H](CO)C1CC1 449498945 BVDMEIBAEOZKKX-JKSUJKDBSA-N 277.412 1.924 0 50 CDAA COC[C@H]1C[C@@H](O)CN1C(=O)[C@H](C)c1ccccc1 652821679 UNNMDDFFBBOOFP-MRVWCRGKSA-N 263.337 1.398 0 50 CDAA Cc1cnc(COCC(=O)NCCN2CCCC2(C)C)o1 457053874 KHEFGJNCGARKLB-UHFFFAOYSA-N 295.383 1.490 0 50 CDAA CN(C(=O)C1(C(=O)O)CC=CC1)[C@H]1CCN(C2CC2)C1 663117346 OHURROOFMHWDFO-LBPRGKRZSA-N 278.352 1.103 0 50 CDAA Cn1nc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)ccc1=O 248775076 RYZIHXFERYWBEY-MPLKPFFPSA-N 287.363 1.335 0 50 CDAA C[C@@H]1C[C@@H]1c1nc([C@@H]2CCCN2S(C)(=O)=O)no1 252536163 HRZWCMLRXZGEQV-VGMNWLOBSA-N 271.342 1.290 0 50 CDAA COc1cnc2ccccc2c1C(=O)N1CCC(N)CC1 569692128 ZJYGESAGHUIFJZ-UHFFFAOYSA-N 285.347 1.807 0 50 CDAA O=C(N[C@H]1CCc2cc(Cl)ccc21)[C@H]1C[C@@H](O)CN1 364258649 OWOFXAUDGLPHFQ-KGYLQXTDSA-N 280.755 1.166 0 50 CDAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@H]1CCCCO1 261914922 HPMCZUMRKGJMDD-CYBMUJFWSA-N 293.319 1.966 0 50 CDAA CCn1ncc2ccc(NC(=O)[C@H]3NC(=O)O[C@H]3C)cc21 496675684 FHWVJRKKKZSAFB-UFBFGSQYSA-N 288.307 1.492 0 50 CDAA CSc1ncc(C(=O)O)c(NC[C@H]2CCCO2)n1 35287582 RPLVMPJPENKZJQ-SSDOTTSWSA-N 269.326 1.488 0 50 CDAA in-vitro O=C(NCC1CC1)c1nnc(-c2cscn2)o1 902611842 HAUQGLBIELIVMU-UHFFFAOYSA-N 250.283 1.333 0 50 CDAA O=C(N[C@@H]1CCOC2(CC(C(=O)O)C2)C1)c1ccncc1 910620583 PGLWBELUJUJVSG-MQYJIDSJSA-N 290.319 1.224 0 50 CDAA O=C(O)C1CC2(C1)C[C@@H](NC(=O)C1CC3(CC3)C1)CCO2 910618488 PNXNYYUVMDBXSP-BGMSHATGSA-N 293.363 1.705 0 50 CDAA O=C(Cc1cncc(O)c1)N1CCC[C@H]1C(F)(F)F 913019363 ZHEXXHSDESLNOC-JTQLQIEISA-N 274.242 1.883 0 50 CDAA C[C@@H]1CN(Cc2cnon2)c2ccccc2N(C)C1=O 851849501 XWAFCGNPHGNOJB-SNVBAGLBSA-N 272.308 1.689 0 50 CDAA O=C1NCc2cc(NC(=O)N3CCC[C@@H](F)C3)cnc21 934970140 UHDUSLQYHYSQLV-SECBINFHSA-N 278.287 1.291 0 50 CDAA O=C(NCC1(O)CCCCCC1)[C@H]1C[C@H]2CC[C@H]1O2 225441663 HWRGXICAJMQYDW-FRRDWIJNSA-N 267.369 1.755 0 50 CDAA COC[C@@H](C)CNc1cccc(S(=O)(=O)N(C)C)c1 131787129 RUGGNZJNPHUCPD-NSHDSACASA-N 286.397 1.631 0 50 CDAA COC1(C(=O)NCc2ccc(C(=O)O)cc2)CCC1 262944904 CRECUSWDSWUVLU-UHFFFAOYSA-N 263.293 1.570 0 50 CDAA CN(C(=O)c1c[nH]nc1-c1ccccc1)[C@H]1CCNC1 179057316 MQRHNYDEZPKHFB-LBPRGKRZSA-N 270.336 1.511 0 50 CDAA NC(=O)c1ccc(CN(C[C@H]2CCCN2)C2CC2)cc1 328642933 RFGYWFYNQDOBER-CQSZACIVSA-N 273.380 1.502 0 50 CDAA Cc1cc(CN(C)CC[C@@H]2CCS(=O)(=O)C2)ccn1 670462933 WWGKQNYAELDCLC-CYBMUJFWSA-N 282.409 1.647 0 50 CDAA CC(C)n1ccc(C(=O)N2CCCC[C@@H]2CC(=O)O)n1 679397544 ZBFHEDXYMFEYCF-LLVKDONJSA-N 279.340 1.933 0 50 CDAA OC[C@]1(F)CCN(c2ncnc3c2CCCC3)C1 367210755 AGNGHLCVIHJLOZ-ZDUSSCGKSA-N 251.305 1.266 0 50 CDAA C[C@]1(C(F)(F)F)CCN(C(=O)CC2(N)CC2)C1 709547807 LLVAJVOQTFKWMZ-VIFPVBQESA-N 250.264 1.669 0 50 CDAA CCCn1cnnc1CN(C)CC[C@H]1CCOC1 823031044 RKZSLBXUBFIFLV-LBPRGKRZSA-N 252.362 1.547 0 50 CDAA C[C@@H]1CCOCCN1C(=O)c1ccnc2[nH]cnc12 890528722 RZTJFGIPDWJCHX-SECBINFHSA-N 260.297 1.209 0 50 CDAA C[C@H](CS(=O)(=O)N(C)CC1(O)CCC1)C(F)(F)F 2325804187 ZDFFDKNXKUXHNF-MRVPVSSYSA-N 289.319 1.361 0 50 CDAA COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1O 51042 LDZBEDYOKLEJAT-UHFFFAOYSA-N 297.266 1.979 0 50 CDAA CCn1c(N)c(C(=O)NC[C@@H]2CCCO2)sc1=S 203956 SZEPUGTVRSZVMX-ZETCQYMHSA-N 287.410 1.790 0 50 CDAA CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OC 332192 MRXBOWXJVSOPQX-CYBMUJFWSA-N 290.319 1.886 0 50 CDAA O=C(O)c1cc(N2C(=O)c3ccccc3C2=O)ccc1O 342324 WLZMRSKNPJOACF-UHFFFAOYSA-N 283.239 1.891 0 50 CDAA O=C1C=CC(=O)N1c1cccc(I)c1 859266 QCAJOCSRIKUUFE-UHFFFAOYSA-N 299.067 1.721 0 50 CDAA O=C(O)C[C@@H]1N=C(Nc2nc3ccccc3s2)NC1=O 2458622 OOKBFPXIGJABNN-ZETCQYMHSA-N 290.304 1.037 0 50 CDAA CCCCn1nc(CC(N)=O)nc1-c1ccc2cc[nH]c2n1 2356168704 BTBLWSJQJQFDCD-UHFFFAOYSA-N 298.350 1.649 0 50 CDAA CCN(O)C(=O)OCCNC(=O)Oc1ccc(OC)cc1 3876683 NREAJBRAXQSMKB-UHFFFAOYSA-N 298.295 1.631 0 50 CDAA Cn1nnnc1SCCNCc1ccc(Cl)cc1 4831838 BRUKTCLRAQJSAW-UHFFFAOYSA-N 283.788 1.745 0 50 CDAA CCOc1ccc(Cl)cc1CNc1nn[nH]n1 6697594 IXXWAUJWOLWSLE-UHFFFAOYSA-N 253.693 1.864 0 50 CDAA CCN(Cc1nc(COC)no1)C(=O)c1cccnc1C 55401396 UNBANJCBTDYWSH-UHFFFAOYSA-N 290.323 1.582 0 50 CDAA COc1cc(-c2noc(Cn3cc(C)cn3)n2)ncn1 351056357 LFJRITGSFQBIOL-UHFFFAOYSA-N 272.268 1.088 0 50 CDAA O=C(O)[C@H](O)c1cccc(I)c1 139900833 PWFDYHFRJKSBQO-SSDOTTSWSA-N 278.045 1.409 0 50 CDAA Cc1nnsc1CN(C)C(=O)c1cc(C2CC2)n[nH]1 67714379 KLXSUZZSWCVSSY-UHFFFAOYSA-N 277.353 1.719 0 50 CDAA COC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 114120951 RUUHVGIVFPCAHH-UHFFFAOYSA-N 292.335 1.114 0 50 CDAA OCC[C@@H]1CN(Cc2cc[nH]n2)CCN1C1CCCC1 20776690 SYOVIELTPPILJS-OAHLLOKOSA-N 278.400 1.221 0 50 CDAA O=C(Cc1ccoc1)NCCc1nnc2n1CCCCC2 119649755 YVSQJUWHNXOOAZ-UHFFFAOYSA-N 288.351 1.499 0 50 CDAA O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(CCn2ccnc2)C1 253394328 BWSAULNYLYTTCD-IUODEOHRSA-N 293.317 1.969 0 50 CDAA COc1cc(OC)nc(Oc2cccc(C(=O)O)c2)n1 154231 OOPDBWHZCPMFHO-UHFFFAOYSA-N 276.248 1.984 0 50 CDAA COc1ccccc1NC(=O)NC(=O)C(F)(F)F 290405 JMAHRLKNTQVTET-UHFFFAOYSA-N 262.187 1.906 0 50 CDAA biogenic Cc1ccc(S(=O)(=O)N2CCC(=O)CC2)cc1 401228 PCEBUFJFSAZGNQ-UHFFFAOYSA-N 253.323 1.349 0 50 CDAA biogenic,in-vitro CC(C)C(=O)N[C@H](C)c1nc2ccccc2n1CC(N)=O 32497943 LDZYFIDPVYLPIO-SNVBAGLBSA-N 288.351 1.355 0 50 CDAA CCC[C@]1(CO)CCN(C(=O)C2(O)CCCC2)C1 365613977 DLJIATJRMNEPJD-ZDUSSCGKSA-N 255.358 1.303 0 50 CDAA O=C(NCCc1cnc[nH]1)c1ccc([C@H]2CCCNC2)cc1 215305839 OSXNOLGTCPJOIE-HNNXBMFYSA-N 298.390 1.849 0 50 CDAA Cc1cnn(C2(C(=O)O)CCN(c3ccncc3)CC2)c1 72457224 ZMWNOLWTLGQPAK-UHFFFAOYSA-N 286.335 1.667 0 50 CDAA COCCn1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 368528900 VXCXGYUMPPXGPX-IHRRRGAJSA-N 279.384 1.433 0 50 CDAA Cc1cccc(CN2CCOC[C@@H]2CC(=O)O)n1 128704043 CYBGSPOBCWKXFV-LBPRGKRZSA-N 250.298 1.066 0 50 CDAA COCCN1C[C@H](Cc2ccc3c(c2)CCC3=O)CC1=O 218848440 IJCGTTXGDHNRLI-CYBMUJFWSA-N 287.359 1.853 0 50 CDAA O=C(O)C1(O)CCN(c2noc(-c3ccccc3)n2)CC1 71762338 NTHSKKDPUHVEFQ-UHFFFAOYSA-N 289.291 1.153 0 50 CDAA O=C(NC1CC1)[C@H]1CCCN1C(=O)C[C@H]1CCCC[C@@H]1O 373999887 UVCFSPXCLGDGAF-BNOWGMLFSA-N 294.395 1.197 0 50 CDAA CCCc1cc(NCCn2cccn2)n2nccc2n1 72151386 JKDGRUQDEHQAFL-UHFFFAOYSA-N 270.340 1.990 0 50 CDAA O[C@@H]1COCC[C@H]1NC1CCN(Cc2ccccc2)CC1 219833231 BQQNTMUVGADNQL-IAGOWNOFSA-N 290.407 1.390 0 50 CDAA CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)O 38528668 UCUKFQMRNHNNQY-RXMQYKEDSA-N 257.208 1.917 0 50 CDAA CC(C)(C)c1cc(C(=O)N2CC[C@@H](C(=O)O)C2)[nH]n1 236774450 NEBHRLLLGPFPBX-MRVPVSSYSA-N 265.313 1.254 0 50 CDAA O=C(N[C@H]1CCn2ccnc2C1)[C@@H](C1CC1)N1CCCC1 333034379 SPCQVEQXMCVHAG-DZGCQCFKSA-N 288.395 1.189 0 50 CDAA Cc1cnn(C)c1S(=O)(=O)N[C@@H](C1CCC1)C1CC1 333237850 ZLVNTSVZUBUUSQ-LBPRGKRZSA-N 283.397 1.586 0 50 CDAA CCO[C@H](C)C(=O)N1CCC[C@@H](CCC(=O)O)C1 236908053 VXXUTJHKPPMHOF-MNOVXSKESA-N 257.330 1.515 0 50 CDAA Cc1c[nH]cc1C(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1 262954067 IQTCRYXOSXKNMZ-NSHDSACASA-N 290.241 1.802 0 50 CDAA Cc1ccc(C)c(N2CCN(C[C@]3(O)CCNC3)CC2)c1 77301540 UYZJQWNRTXBEQF-KRWDZBQOSA-N 289.423 1.150 0 50 CDAA COc1ccc(/C=C/C(=O)N2CCNCC2)cc1F 237305697 BVKQOSAICIGSJZ-HWKANZROSA-N 264.300 1.279 0 50 CDAA CO[C@H]1CCN(C(=O)N[C@@H]2COCc3ccccc32)C1 333902880 JBFSNSAKIHCHQK-GXTWGEPZSA-N 276.336 1.688 0 50 CDAA CC(C)[C@H]1CN(CCC(=O)O)CCC(=O)N1CC1CC1 71681977 GCVPVFULPNBPTH-CYBMUJFWSA-N 282.384 1.430 0 50 CDAA N[C@H](CF)[C@H](O)c1ccc(I)cc1 40442732 RDKFSDYKXXYXJM-RKDXNWHRSA-N 295.095 1.621 0 50 CDAA CN(C)CCOc1ccccc1C(=O)N(C)[C@@H]1CCNC1 179071164 LAKDQKFRKFQYMR-CYBMUJFWSA-N 291.395 1.061 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 179213784 BDNGGPIKORYWLT-VXGBXAGGSA-N 284.363 1.829 0 50 CDAA Cc1nc(C(=O)N[C@H](C(N)=O)c2ccccc2)cs1 49303390 JCTMUHOCSLSAJF-NSHDSACASA-N 275.333 1.408 0 50 CDAA Cc1nc2cc(C(=O)N(C)CC(=O)O)ccc2s1 426493112 XSYBXCDLUXXJQZ-UHFFFAOYSA-N 264.306 1.761 0 50 CDAA O=C(CCCc1cn[nH]c1)N1CCC[C@@H](c2ncc[nH]2)C1 97766441 WNPVTKGGDBFXPO-CYBMUJFWSA-N 287.367 1.862 0 50 CDAA CCn1nc(CCOC)nc1CCc1cnccn1 96149155 BEZSIOUJTQLDSQ-UHFFFAOYSA-N 261.329 1.062 0 50 CDAA CCN1CCC[C@@](C)(C(=O)NCCc2ncc[nH]2)C1 426599774 RJKNWRHSDAEVAP-CQSZACIVSA-N 264.373 1.190 0 50 CDAA COc1cccc([C@H]2CCN2C(=O)c2cn[nH]n2)c1 96137666 VDASHPHZUUUCFC-GFCCVEGCSA-N 258.281 1.401 0 50 CDAA CN(Cc1cscn1)Cc1cccc(C(=O)O)n1 234301402 SMPQASCNLZZZBM-UHFFFAOYSA-N 263.322 1.868 0 50 CDAA CC(C)n1nccc1C(=O)N[C@H]1CCc2c[nH]nc2C1 330145917 HPEKUIYKFWNBSK-NSHDSACASA-N 273.340 1.474 0 50 CDAA COc1ccccc1CCNC(=O)[C@@H]1CC12CCNCC2 231327078 PXDHWNKSQQVQLS-AWEZNQCLSA-N 288.391 1.744 0 50 CDAA COC[C@H](OC(=O)c1nc(Cl)sc1C)C(=O)OC 864087427 SWCPXHRWQKTLKI-LURJTMIESA-N 293.728 1.450 0 50 CDAA COc1ccc(-c2ccnc3ncnn23)c(OC)c1OC 604419486 FCGFSNAPSZTJRC-UHFFFAOYSA-N 286.291 1.817 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1ncoc1C 534640125 BYGNXFPPMOVYHK-MRVPVSSYSA-N 263.301 1.476 0 50 CDAA CC[C@@]1(C(=O)O)CCCN(Cc2nc(C(=O)O)co2)C1 534655149 TUGJSKXUZASUCY-CYBMUJFWSA-N 282.296 1.450 0 50 CDAA COCCN1C(=O)N[C@@H](c2cccs2)C2=C1COC2=O 263617814 PTWITDIRYCNRDN-NSHDSACASA-N 294.332 1.272 0 50 CDAA CC[C@H](C)Cc1nc(-c2cnc(N)nc2C)n(CCO)n1 828778241 ARSKYMBOAWKVAE-VIFPVBQESA-N 290.371 1.207 0 50 CDAA O=C(O)CNC(=O)NC[C@@H]1CCCN(C2CCCC2)C1 828018569 VSVCMCNSJVTXCU-NSHDSACASA-N 283.372 1.025 0 50 CDAA O=C(NCCN1CCCC[C@@H]1CO)c1c(O)cccc1F 828710975 UASVMDADCHNPBJ-LLVKDONJSA-N 296.342 1.108 0 50 CDAA C[n+]1ccn(C[C@H]2CCCC[C@@H]2Cn2cc[n+](C)c2)c1 825636157 ISCBWZIRJSLAJH-HZPDHXFCSA-N 274.412 1.445 0 50 CDAA CC(C)CC(=O)N1CCC(NC(=O)C[C@H]2CCOC2)CC1 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272.308 1.828 0 50 CDAA CC[C@](C)(O)CN[C@@H]1CCN(c2ccccc2)C(=O)C1 193093651 BVQQAERQFDZAPU-CJNGLKHVSA-N 276.380 1.933 0 50 CDAA CCOC(=O)c1ccc(C(=O)N(C)[C@H](C)C(=O)O)nc1C 563132923 RPGSZQCUWUAXMK-SECBINFHSA-N 294.307 1.112 0 50 CDAA Cc1occc1[S@@](=O)CC(=O)NCc1ccco1 195577767 HEOQQBUUYPHERL-SFHVURJKSA-N 267.306 1.605 0 50 CDAA COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](C)C(=O)O)CCC2 655533680 LLAAATZFCPBOIK-CABZTGNLSA-N 277.320 1.704 0 50 CDAA Cc1nnc([C@H]2CN(Cc3ccco3)C[C@@H](C)O2)o1 668648876 MIZHFQSCBUGWMR-BXKDBHETSA-N 263.297 1.933 0 50 CDAA C[C@H]1CC(NC(=O)c2cnn3c(=O)cc[nH]c23)C[C@H](C)C1 585114124 INSULLCBOMCKNC-NXEZZACHSA-N 288.351 1.577 0 50 CDAA Cc1cccc(OC2CN(C(=O)CCn3cnnc3)C2)c1 1506417674 SJBJJTAROYAVPC-UHFFFAOYSA-N 286.335 1.266 0 50 CDAA C[C@H](CN(C)CCO)NCc1noc(C2CCCC2)n1 1506419637 UHPXTTWZEFTDPH-LLVKDONJSA-N 282.388 1.129 0 50 CDAA Cc1ccc2c(=O)cc(C(=O)N[C@H]3CC[C@H](N)C3)oc2c1 211503741 QCVUMEYALLIFKS-QWRGUYRKSA-N 286.331 1.711 0 50 CDAA Cc1cccc(OCCN2CC[C@H](C(=O)O)[C@H](O)C2)c1C 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CCOc1cc(N2C[C@H](COC)OC(C)(C)C2)ncn1 583616742 LOIPBMHLLIZHQH-LLVKDONJSA-N 281.356 1.506 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cccc(F)c2F)n[nH]1 215824400 DPGCOORYWKFCGR-ZCFIWIBFSA-N 266.251 1.882 0 50 CDAA O=C(O)[C@H](F)CNS(=O)(=O)c1sccc1Cl 837293201 FDJISFZKTMQJDA-RXMQYKEDSA-N 287.721 1.103 0 50 CDAA COc1cccc(OCCN(C)CC[C@@H]2COCCO2)c1 1775983141 SJDMRLOEZDAKJS-MRXNPFEDSA-N 295.379 1.811 0 50 CDAA CCCN1CCC[C@H](Nc2nnc(CNC)o2)C1 1772812066 HOUKDSUZOSTDDT-JTQLQIEISA-N 253.350 1.075 0 50 CDAA CC[C@H](O)CN1CCCN(C(=O)C2CCC2)CC1 1772813000 SRFWMOXWVXSJTP-ZDUSSCGKSA-N 254.374 1.092 0 50 CDAA Cc1nn(C)cc1-c1ccnc(N(C)Cc2nonc2C)n1 19731824 OICKURFSJCPHFE-UHFFFAOYSA-N 299.338 1.513 0 50 CDAA O=C(CN1CCNCC1)Nc1ccccc1Cl 19797589 PEUDTGQBHWMHRS-UHFFFAOYSA-N 253.733 1.184 0 50 CDAA Cc1ccc(C)c(NC(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169304302 VQWFIKFFDQRBPN-MQYQWHSLSA-N 287.315 1.896 0 50 CDAA NS(=O)(=O)CCc1ccc(Cl)c(Cl)c1 156956993 HDVWVMPYWILAPO-UHFFFAOYSA-N 254.138 1.824 0 50 CDAA CO[C@H]1CN(C(=O)N(C)C2CCCC2)C[C@@H]1c1cnn[nH]1 1857528075 CPXVQPQIJYDUSD-YPMHNXCESA-N 293.371 1.213 0 50 CDAA CC(C)NC(=O)NCCNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2 1857532392 SJGCEVKSKQEEMQ-HUBLWGQQSA-N 281.400 1.637 0 50 CDAA CN1C(=O)N(C)C2(CCN([C@H]3CCC(C)(C)C3)CC2)C1=O 1857673998 WPFWWDIGXZXBCY-LBPRGKRZSA-N 293.411 1.924 0 50 CDAA Cc1cc(O)ccc1C(=O)N[C@H]1C[C@H]2CO[C@H](C)CN2C1 1857735746 ISNUWSPONDSPOB-AGIUHOORSA-N 290.363 1.292 0 50 CDAA CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](N)C(C)(C)C)C1 519647636 FMTFBQADJGIZFU-HBNTYKKESA-N 296.371 1.040 0 50 CDAA CCc1cc(NC(=O)N[C@H](C)C2CCOCC2)n(C)n1 119038220 LKMOJVLUYSAKSW-SNVBAGLBSA-N 280.372 1.919 0 50 CDAA CC(C)N1C[C@@H](N=c2[nH]nc(-c3ccon3)s2)CC1=O 328815887 OKEXPWSTPFDDRF-QMMMGPOBSA-N 293.352 1.036 0 50 CDAA CCc1occc1C(=O)N1CCC[C@H](c2n[nH]c(=N)o2)C1 636197440 DYRKMJRHDPRHLT-VIFPVBQESA-N 290.323 1.657 0 50 CDAA COc1ccc(CC(=O)N2CCc3ncnc(O)c3C2)cc1 332657990 ZUZZPPAJBKGYIV-UHFFFAOYSA-N 299.330 1.318 0 50 CDAA Cc1cc(N2C[C@H]3CCCN[C@H]3C2)n2nc(C)c(C)c2n1 247840785 PTWZANUGXZTKDD-KGLIPLIRSA-N 285.395 1.843 0 50 CDAA CNc1ncccc1C(=O)N1CCC[C@H]1C1(O)CC1 1772808946 GOKDIXXNPHJTEP-NSHDSACASA-N 261.325 1.253 0 50 CDAA COCn1cc(NC(=O)c2ccc3nccn3c2)cn1 1201272875 UKTXUYMAUDEYTK-UHFFFAOYSA-N 271.280 1.387 0 50 CDAA O=C(c1nnc(-c2ccns2)o1)N1CC2(CC2)C1 902941101 KIUIUCHCEQNZQA-UHFFFAOYSA-N 262.294 1.429 0 50 CDAA CCN(C[C@H]1COc2ccccc2O1)C[C@@H]1C[C@H]1C(=O)O 903887412 QGTBXGLFJFLUMY-RWMBFGLXSA-N 291.347 1.869 0 50 CDAA CC(C)[C@](C)(NCc1ccc2c(c1)COC2)C(N)=O 839007324 GLBXTTZMQQXNJK-HNNXBMFYSA-N 262.353 1.706 0 50 CDAA CCOC1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)O)C2)CC1 111472939 XSEPGYBABKQHDB-NWDGAFQWSA-N 283.368 1.905 0 50 CDAA CCOC(=O)N1CCC(NCCN2CCCCC2)CC1 22455532 REJICKZINJKPSV-UHFFFAOYSA-N 283.416 1.683 0 50 CDAA C[C@@H](NC(=O)[C@H](C)C1CC1)c1cccc(S(N)(=O)=O)c1 148098434 TYJUHCNHVAZONC-NXEZZACHSA-N 296.392 1.557 0 50 CDAA CCN1CCN(CCOc2ccccc2C)C(=O)C1=O 32498060 RQGSRIWCSKTIHQ-UHFFFAOYSA-N 276.336 1.065 0 50 CDAA CC(C)=CC(=O)N1CCN(C)C2(CCN(C)CC2)C1 67803548 BOQAABUDQDEMTK-UHFFFAOYSA-N 265.401 1.191 0 50 CDAA C[C@@H]1CCCN(C(=O)COc2cccc(F)c2)[C@@H]1CN 408519271 YUGBOCYKIZGLCF-BXUZGUMPSA-N 280.343 1.790 0 50 CDAA O=C(O)CN(C(=O)C[C@H]1CCCNCC1)C1CCC1 653472664 XRNMWFLMNRJBFM-NSHDSACASA-N 268.357 1.232 0 50 CDAA CCCc1nc(C(=O)N2CC[C@H]2C(=O)O)cs1 95511793 AQXBJAVZGQWACA-QMMMGPOBSA-N 254.311 1.395 0 50 CDAA O=C(O)c1ccc(C(=O)NCC2=CCCOC2)cc1 379585246 YAXPYHLORBDHEF-UHFFFAOYSA-N 261.277 1.461 0 50 CDAA N[C@@H]1C[C@H](C(=O)N2CCCC(F)(F)CC2)[C@H]2C[C@H]21 1263165713 KVWJRUCBNDPVEG-ZRUFSTJUSA-N 258.312 1.618 0 50 CDAA Cc1noc(-c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)n1 2325706805 GRMGIMYOPKIJRN-JTQLQIEISA-N 287.275 1.483 0 50 CDAA CCn1ncc(C(=O)N[C@H]2C[C@H](CN)C2(C)C)c1C1CC1 2325799561 IAXPQEPESVASEU-YPMHNXCESA-N 290.411 1.884 0 50 CDAA Cc1cc(CNc2c3c(nc4ncnn24)CCC3)cc(O)n1 894238907 KOHXEBPJSUKZJV-UHFFFAOYSA-N 296.334 1.634 0 50 CDAA Cc1ncc([C@@H](C)NC(=O)c2c(C(=O)O)cnn2C)s1 902306980 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Cn1c(=S)n(CN2CCOCC2)c2ccccc21 19853194 ROWNCTDCSLOMBC-UHFFFAOYSA-N 263.366 1.999 0 50 CDAA CCOc1ccccc1NC(=O)CN1CCOCC1 19897722 DYUCXKOCWZPISZ-UHFFFAOYSA-N 264.325 1.356 0 50 CDAA C[C@@H]1C[C@H](NC(=O)N2CCOc3cccc(F)c3C2)CO1 335398089 QVRPIUIZAMRFCH-MNOVXSKESA-N 294.326 1.907 0 50 CDAA CCn1nnc(=NC(=O)[C@H](C)Oc2cccc(Cl)c2)[nH]1 1875243953 FUTOXOMXUNAJBW-QMMMGPOBSA-N 295.730 1.174 0 50 CDAA N=c1cc(-c2cccc(CC(=O)O)c2)nc(N2CCCC2)[nH]1 1875250666 VTHXDQVVZHVFCM-UHFFFAOYSA-N 298.346 1.783 0 50 CDAA COC1CCC(N(C)C(=O)[C@H]2CC(=O)N[C@H](C)C2)CC1 408207363 WHFHWTSKPSTQDG-OKZRHMCRSA-N 282.384 1.317 0 50 CDAA CCC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709976027 LGFNGVXFARWNPB-KBPBESRZSA-N 263.337 1.887 0 50 CDAA CCOC[C@@H]1CCCN(C(=O)c2nc(C)c(C)nc2O)C1 328828765 TXAQTLYSLSSFLU-GFCCVEGCSA-N 293.367 1.688 0 50 CDAA C1C[C@@H]2CO[C@H](c3noc([C@@H]4C[C@@]45CCOC5)n3)CN2C1 329598825 PTEGHCFINUVULS-OXJKWZBOSA-N 291.351 1.499 0 50 CDAA CCN1CN(C(=O)Cc2c[nH]c3c(C)cccc23)CC1=O 241911285 UBGCNKDYZAWAJN-UHFFFAOYSA-N 285.347 1.667 0 50 CDAA COc1cccc([C@@H]2CN(C(=O)c3c[nH]nn3)CCO2)c1 130845066 QJYPYDSAIZASQL-ZDUSSCGKSA-N 288.307 1.027 0 50 CDAA Fc1ccc([C@@H]2CN(Cc3cnn[nH]3)CCO2)c(F)c1 580522400 HQMBSLWIJOCPDD-ZDUSSCGKSA-N 280.278 1.656 0 50 CDAA O=C(c1cccc2nn[nH]c12)N1CC[C@H]2OCCC[C@H]2C1 163670899 KTGFVBXROBKCHL-GXFFZTMASA-N 286.335 1.599 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)c1nc(C)cs1 900645517 PGCPYSROVPLTNH-UHFFFAOYSA-N 267.354 1.449 0 50 CDAA CC1(C(=O)N2CCC(c3ccncn3)CC2)COC1 1120659930 LBXGANAWTBLKTP-UHFFFAOYSA-N 261.325 1.219 0 50 CDAA CC(=O)N1CCC[C@@H](CNC(=O)c2cc(C)c(C)cn2)C1 935753022 WHTIOYOEMFEIHL-AWEZNQCLSA-N 289.379 1.687 0 50 CDAA O=C(Nc1nccs1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 225635524 RDPDUAPMZVKZPJ-XSPKLOCKSA-N 266.322 1.829 0 50 CDAA CO[C@@H]1CCCN(C(=O)c2c(C)[nH]c(C(=O)O)c2C)C1 230313486 YVSWWROZFUOYCG-SNVBAGLBSA-N 280.324 1.581 0 50 CDAA Cc1ccccc1CC(=O)N1CCC2(CC1)OCCO2 6742427 RBMXERSENMJHRW-UHFFFAOYSA-N 275.348 1.903 0 50 CDAA C[C@@]1(NC(=O)NCc2cccc(C(=O)O)c2)CCOC1 162063989 BGHZXEYKCYMUBO-CQSZACIVSA-N 278.308 1.363 0 50 CDAA CN(C)CC(C)(C)CNC(=O)CCc1cn[nH]c1 629943296 IMDMBCFYARPTCB-UHFFFAOYSA-N 252.362 1.046 0 50 CDAA Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cn1 1358404628 SAKQVYMYFLFVJO-HUUCEWRRSA-N 267.332 1.745 0 50 CDAA O[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)C[C@@H]1F 1616116528 VDCUAXLCISHNFH-KBPBESRZSA-N 261.300 1.387 0 50 CDAA O=C(N[C@@H]1CC[C@@H]2C[C@]21CO)C1(c2cc[nH]n2)CCC1 2325806468 XMRGCJJCHJXXPP-HFAKWTLXSA-N 275.352 1.109 0 50 CDAA C[C@]1(C(=O)O)COC[C@H]1NC(=O)C[C@@H]1C[C@@H]2C=C[C@H]1CC2 2325810077 HZYMSMBIXVKCEJ-OHHDELOUSA-N 293.363 1.585 0 50 CDAA Cc1nc[nH]c1C(=O)N1C[C@@H](CC(=O)O)c2ccccc21 910367000 LXGPMIQACZFIAZ-SNVBAGLBSA-N 285.303 1.937 0 50 CDAA CCOn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21 102139 CNFIFBUFVXKOLL-UHFFFAOYSA-N 282.299 1.750 0 50 CDAA COc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1 170424 ZMEVUKYYWCUUJF-UHFFFAOYSA-N 263.293 1.632 0 50 CDAA NC(=O)C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 259502 SDVQKHRXXILSQK-UHFFFAOYSA-N 280.755 1.606 0 50 CDAA Cc1cc(C)cc(OCC(=O)NC[C@@H]2CCCO2)c1 282084 FTVLNWLXRYTRAE-ZDUSSCGKSA-N 263.337 1.977 0 50 CDAA C[C@@H]1CN(C(=S)NC(=O)c2ccc(F)cc2)C[C@@H](C)O1 458791 NSRZOCQNYBFRRI-NXEZZACHSA-N 296.367 1.950 0 50 CDAA CC(=O)NCCc1c[nH]c2ccc(OCC(=O)O)cc12 468353 KNAACSRGEOSADH-UHFFFAOYSA-N 276.292 1.310 0 50 CDAA C[C@H](CNC(=O)c1cccnc1)NC(=O)c1cccnc1 1817748 KTXBOOWDLPUROC-LLVKDONJSA-N 284.319 1.025 0 50 CDAA investigational NS(=O)(=O)c1ccc(Br)cc1Cl 2585388 BFZLQNCZBMUSRS-UHFFFAOYSA-N 270.535 1.750 0 50 CDAA in-vitro CNC(=O)c1ccc(=Nc2cccc(-n3cccn3)c2)[nH]n1 2356145819 JRWVCTFPCMROQQ-UHFFFAOYSA-N 294.318 1.187 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@@]23CCCN(C)C3=O)on1 2356154240 NQZNYPJEBZLUPW-OAHLLOKOSA-N 291.351 1.139 0 50 CDAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1ccc2c(c1)CCO2 2356168381 AYUCRZMSSIMCLN-MJHDQNEOSA-N 289.331 1.995 0 50 CDAA Cc1ccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1 4944777 SZUZKGNISXBIOL-SECBINFHSA-N 270.292 1.135 0 50 CDAA CCn1cc(S(=O)(=O)N2CCc3ccccc32)cn1 6699210 OHRAEGKABOMWME-UHFFFAOYSA-N 277.349 1.654 0 50 CDAA Cn1nccc1C(=O)Nc1nnc(C(F)(F)F)s1 6729679 MVAFJQPMUXPXTC-UHFFFAOYSA-N 277.231 1.543 0 50 CDAA COC(=O)[C@H]1[C@H]2CC[C@H]3[C@@H](C(=O)OC)[C@H]4CC[C@@H]1[C@H]4[C@@H]23 101139188 XDTJORHFMSZVDQ-WBRCCVPBSA-N 278.348 1.877 0 50 CDAA CC[C@@H](CO)N(Cc1ccsc1)C(=O)CCNC(C)=O 55088781 TUDUKDXAVBLOMA-ZDUSSCGKSA-N 298.408 1.374 0 50 CDAA OCCc1cn(C2CCN(Cc3cccnc3)CC2)nn1 20668477 ONBNPCHTKQCYCQ-UHFFFAOYSA-N 287.367 1.045 0 50 CDAA Cc1nnc(NC(=O)N(C)Cc2cn(C)nc2C)s1 63881797 CCDACXUPSLSBSI-UHFFFAOYSA-N 280.357 1.552 0 50 CDAA CCCCc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 22606646 WIWSUAGHUNMTPJ-UHFFFAOYSA-N 298.408 1.859 0 50 CDAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cnc(N)s1 1506420988 DCVYRFGMXSHPJT-JTQLQIEISA-N 292.364 1.580 0 50 CDAA OC[C@@H]1CCCN1C[C@@H](O)c1ccc(F)c(F)c1 229306617 LPONBCAXIWMQAR-GXFFZTMASA-N 257.280 1.455 0 50 CDAA CCn1ncnc1[C@H]1CC(=O)Nc2cc3[nH]ncc3cc21 67713565 HWTBHOQKMRWVBY-JTQLQIEISA-N 282.307 1.648 0 50 CDAA CC(C)[C@H]1CCO[C@H]1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 333489180 QOISGTUXIWTRQS-IJLUTSLNSA-N 278.356 1.182 0 50 CDAA C=CC(=O)N1CCO[C@H](COc2ccc(F)c(F)c2)C1 328598295 KYPOTCPKINQREL-NSHDSACASA-N 283.274 1.757 0 50 CDAA CCC(CC)NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 65362791 OOMPLIMXIRUWSR-NSHDSACASA-N 290.429 1.353 0 50 CDAA CN(C[C@@H]1CCc2nccn2C1)C(=O)c1cc[nH]c1 328621595 HWIOEJKVMIFNSL-NSHDSACASA-N 258.325 1.546 0 50 CDAA C[C@@H](NC(=O)c1cncnc1)c1ccc([S@](C)=O)cc1 354711246 CEENCJDHJLFBCK-SBKAZYGRSA-N 289.360 1.705 0 50 CDAA CC(=O)N(C[C@@H]1CCCN1CC[C@@H]1CCOC1=O)C1CC1 328629863 ISNLHETZRMOYGH-HIFRSBDPSA-N 294.395 1.415 0 50 CDAA COCCNC(=O)[C@@H](c1cccc(C)c1)N(C)C 65429198 WXKSRVAAJPLLML-CYBMUJFWSA-N 250.342 1.360 0 50 CDAA Cc1cc(C(=O)Nc2cnc(C(C)C)nc2)nn1C 331092262 XEGBYQDUUARZHF-UHFFFAOYSA-N 259.313 1.894 0 50 CDAA Cc1nc(=O)c(Cl)c(-c2ccccc2C(N)=O)[nH]1 216036943 FRFDTFZOUDGKJD-UHFFFAOYSA-N 263.684 1.498 0 50 CDAA CCn1nncc1C(=O)N1CCc2ccc(O)cc2C1 331971378 KZYOCNFOWOKTRW-UHFFFAOYSA-N 272.308 1.202 0 50 CDAA c1cncc(C2CN(c3ncnc4[nH]ccc34)C2)c1 72169643 HFUGOHVQDQCCEO-UHFFFAOYSA-N 251.293 1.957 0 50 CDAA O[C@H]1COCCN(CCCCOc2ccccc2)C1 77438508 MSOBCGVOANDRFJ-CQSZACIVSA-N 265.353 1.539 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)N(C)Cc2ncc[nH]2)O1 332342696 SSDLFEDDWWWNRG-GHMZBOCLSA-N 251.330 1.716 0 50 CDAA Cc1nc([C@H](C)NC(=O)CCC(F)(F)F)n[nH]1 216493016 YKRBZASUIOEZKR-YFKPBYRVSA-N 250.224 1.633 0 50 CDAA C[C@@H](CCn1cccn1)N[C@H]1CCO[C@@H]1c1ccnn1C 284586313 JSYAALROYAIWMN-YDHLFZDLSA-N 289.383 1.515 0 50 CDAA CCCc1nc(C)c(CNC(=O)[C@@H](N)CC)s1 219116103 SFTUTTXEOIGCJF-VIFPVBQESA-N 255.387 1.758 0 50 CDAA CSc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 417250772 GMEAEHAOVPAFAN-GFCCVEGCSA-N 295.408 1.196 0 50 CDAA Cc1nn(C)c2ncnc(NCCCCCCN)c12 72438511 ZZCIQHDOWORNKP-UHFFFAOYSA-N 262.361 1.603 0 50 CDAA O=C(C(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 215329310 CSLDARHFLTXCQD-HNNXBMFYSA-N 286.375 1.956 0 50 CDAA O=S(=O)(C1CC1)N1CCCN([C@@H]2C=CCCC2)CC1 336323291 OEXOCYFYGBYUCW-CYBMUJFWSA-N 284.425 1.595 0 50 CDAA N[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 157703164 OHOGREPVMOYWDX-DIECRNLCSA-N 288.347 1.421 0 50 CDAA FC(F)c1nc(N2CCOCCN2)c2ccccc2n1 240569408 HALAEFMSQVRMHT-UHFFFAOYSA-N 280.278 1.909 0 50 CDAA Cc1cccc(CCNc2cc(C3CC(O)C3)nc(N)n2)n1 219294848 NKXBVVJXBNNQLE-UHFFFAOYSA-N 299.378 1.655 0 50 CDAA O=C(c1ccccc1OC1CC1)N1CC(n2ccnn2)C1 376966982 IDSWUZUOXWPFSH-UHFFFAOYSA-N 284.319 1.516 0 50 CDAA CCc1cc(C(=O)NC[C@]2(C)CCC(=O)N2)ccc1O 457207625 DCUPWCWKMKBWEY-HNNXBMFYSA-N 276.336 1.353 0 50 CDAA O[C@@H]1COCCN(Cc2nnc(-c3cccc(F)c3)o2)C1 77440343 NJMUIVSCIRFDIB-LBPRGKRZSA-N 293.298 1.069 0 50 CDAA Cc1ccc(CN2CCO[C@H](CCO)C2)c(F)c1 215553952 USRGDYXHPRUTHO-CYBMUJFWSA-N 253.317 1.717 0 50 CDAA O=C1OCCN1CC(=O)N1CCCC[C@H]1c1ccccn1 215289651 YOVUXGCJRZMORY-ZDUSSCGKSA-N 289.335 1.587 0 50 CDAA Cc1nonc1Cn1cnc2scc(C)c2c1=O 289306599 CDKLSFPMHSBXHK-UHFFFAOYSA-N 262.294 1.506 0 50 CDAA O=C(O)CN1C(=O)[C@H]2C[C@H](c3ccccc3)CC[C@H]2C1=O 222432521 XFQVNCBMAAYFMD-UPJWGTAASA-N 287.315 1.640 0 50 CDAA Cc1ccccc1N1CCN(C(=O)C2CCC2)CC1=O 82097526 NSBSEEVHUKJOON-UHFFFAOYSA-N 272.348 1.970 0 50 CDAA Cc1ncccc1CN1CCO[C@@H]2C[C@H](CO)C[C@@H]21 1207147318 DMWTUDMXAGFLOQ-VHDGCEQUSA-N 262.353 1.362 0 50 CDAA Cn1cc(CCCNc2cc(C3CC(N)C3)ncn2)cn1 223449207 AMQGETYQQMDXCG-UHFFFAOYSA-N 286.383 1.460 0 50 CDAA CCNc1nc(C(=O)N2CCOCC(F)(F)C2)cs1 290693317 RUFCLWYVEXVSNQ-UHFFFAOYSA-N 291.323 1.683 0 50 CDAA CN1CC[C@H](NC(=O)CCCCc2ccccc2)C1=O 223541909 DPRKJXSEHTUOSU-AWEZNQCLSA-N 274.364 1.746 0 50 CDAA COC[C@@H](C)N1CCC2(CC1)Nc1ccccc1NC2=O 82097176 XPKRCBOPFXPGEW-GFCCVEGCSA-N 289.379 1.920 0 50 CDAA O=C(COC[C@@H]1CCCCO1)NCCCc1ccccn1 221353127 YTRIJGZTPBCYAU-HNNXBMFYSA-N 292.379 1.716 0 50 CDAA Cc1cccc2nc(C(=O)N3CC[C@H](C(=O)O)C3)c(F)n12 426434159 UNNFWRGATAMIFQ-VIFPVBQESA-N 291.282 1.329 0 50 CDAA CC(C)[C@H](NC(=O)CN(C)Cc1ccccc1F)C(=O)O 426477254 RHKKPLDFPYFKJC-AWEZNQCLSA-N 296.342 1.483 0 50 CDAA Nc1cc(O)nc(CCNC(=O)c2ccc(Cl)s2)n1 222746473 YYWCIPZUPMRHNH-UHFFFAOYSA-N 298.755 1.452 0 50 CDAA O=C(O)CCC1CCN(C[C@@H]2CCCOC2)CC1 86756044 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CC[C@H](C(=O)NCCc1ccccn1)n1cccn1 91829863 MMZJDBUZEPDLCQ-CYBMUJFWSA-N 258.325 1.588 0 50 CDAA Cc1nn(C)c(C)c1NC(=O)NC[C@H](C)n1ccnc1 95496973 CIYZWHYPENZAPD-VIFPVBQESA-N 276.344 1.616 0 50 CDAA COCc1nc(C)c(CNC(=O)[C@@H](C)n2ccnc2)s1 426359569 DOSIFJPMHXHQOP-SNVBAGLBSA-N 294.380 1.672 0 50 CDAA Cc1cccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2O3)c1C 239025311 BJWYYOGYFQTPEZ-AAVRWANBSA-N 287.315 1.896 0 50 CDAA Cc1c(CNC(=O)[C@H]2COc3ccccc3C2)cnn1C 95519201 YBINQZPLQUZQTD-CYBMUJFWSA-N 285.347 1.596 0 50 CDAA CC(C)c1cc(C(=O)NC[C@H](O)c2ccccn2)n(C)n1 91644630 UWSRTZOAUPTEAY-AWEZNQCLSA-N 288.351 1.402 0 50 CDAA O=C(C[C@H]1NC(=O)c2ccccc21)NCCCn1ccnc1 97655568 LALGYDYYLOVCJR-CQSZACIVSA-N 298.346 1.264 0 50 CDAA COCCc1noc([C@H](C)NC(=O)CCC(F)(F)F)n1 244795535 RIDAOPWZJIFWIQ-ZETCQYMHSA-N 295.261 1.778 0 50 CDAA CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2CCCC[C@H]2C1 246122733 DLTUYXLPLCDDAJ-RWMBFGLXSA-N 282.409 1.556 0 50 CDAA O=C(NCCc1cn[nH]c1)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 297030512 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C[C@@H]1C[C@H](N)CCN1S(=O)(=O)CCOc1ccccc1 534653101 JZGDREJERWCIJN-CHWSQXEVSA-N 298.408 1.207 0 50 CDAA COc1ccc(F)cc1C(=O)N1CCC[C@H](O)CC1 295050481 XVLGFYPJSNHJGX-NSHDSACASA-N 267.300 1.821 0 50 CDAA Cc1cc(C)nc(CCNC(=O)c2csc(C)n2)n1 825317538 VRKVBXZYDAZIDF-UHFFFAOYSA-N 276.365 1.831 0 50 CDAA O=C1N[C@@H](C2CC2)C(=O)N[C@H]1CC1CCCCC1 828321133 RCOTZLLQLYULBZ-RYUDHWBXSA-N 250.342 1.350 0 50 CDAA CC(C)[C@@H](CNC(=O)c1ccnnc1)N1CCCC1 820696460 XLSWRAKMDXRFSR-CYBMUJFWSA-N 262.357 1.327 0 50 CDAA O=C([C@@H]1NCCc2nc[nH]c21)N1C[C@H]2CC=CC[C@H]2C1 584892431 ZGWDHZBTKAAMPM-UHIISALHSA-N 272.352 1.021 0 50 CDAA CSCC(=O)N(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 584891822 RUVNILAXBUJRIZ-JTQLQIEISA-N 272.414 1.455 0 50 CDAA CSCc1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2)o1 584887638 HNCVQYSNLIAANK-SECBINFHSA-N 282.365 1.493 0 50 CDAA CCCOC(=O)N[C@H]1CCCN(c2nc(C)cc(O)n2)C1 952879262 CKETTYNTGMWEHR-NSHDSACASA-N 294.355 1.596 0 50 CDAA Cc1nc(-c2ccccn2)cc(=NC[C@H]2CC[C@@H](O)C2)[nH]1 1875261783 HZDSINQQISHADQ-QWHCGFSZSA-N 284.363 1.842 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cnn(C2CCCCC2)c1 1875273134 AUCLOKGEZSQSHE-VMPITWQZSA-N 291.351 1.847 0 50 CDAA CC[C@](C)(OC)C(=O)NCc1cncc(C(=O)OC)c1 1875275557 RRUAQTCKRIDRKZ-AWEZNQCLSA-N 280.324 1.300 0 50 CDAA Cc1nc(=NCc2cccc3c2OCC3)nc2[nH][nH]cc1-2 1875272074 OCZWAXQWOSQDRY-UHFFFAOYSA-N 281.319 1.582 0 50 CDAA C=CC(=O)N1CC(C(=O)NCc2cc(F)ccc2Cl)C1 1875387790 XKRSDVBENOOSCY-UHFFFAOYSA-N 296.729 1.740 0 50 CDAA CCc1ccc(C(=O)NCC(C)(C)c2nn[nH]n2)cc1 1875324314 RWPNUILWYMHNTH-UHFFFAOYSA-N 273.340 1.470 0 50 CDAA Cc1ccc2sc(NC[C@@]3(CO)COCCN3)nc2c1 1458577125 YDHIXUHEDHWHEN-CQSZACIVSA-N 293.392 1.368 0 50 CDAA O=C(NCC1CCN(c2ncc(Cl)cn2)CC1)C1CC1 952969002 QFLQMDIVGYCMSR-UHFFFAOYSA-N 294.786 1.873 0 50 CDAA O=C(CCSc1ccccc1)OC[C@@H]1COC(=O)N1 888099500 NHXBVOZERCDBOW-SNVBAGLBSA-N 281.333 1.820 0 50 CDAA Cn1ccc(C(=O)NC[C@H]2CNCc3ccccc32)n1 888101042 RIQAHAJLWFWCRF-GFCCVEGCSA-N 270.336 1.037 0 50 CDAA CCn1ncc(C(=O)NC[C@@H]2CCCC(C)(C)O2)n1 890125005 YEDUTOICXPCNPV-JTQLQIEISA-N 266.345 1.376 0 50 CDAA O=C(NCC(F)(F)C1(O)CCCCC1)c1csnn1 891352242 YNOTUPUZCZVWIJ-UHFFFAOYSA-N 291.323 1.598 0 50 CDAA c1cnc(N2CCC[C@H](Nc3nccn4ccnc34)C2)nc1 891893097 KRIURBUIEHMUFI-LBPRGKRZSA-N 295.350 1.600 0 50 CDAA CC(C)c1cnc(CN2CCS(=O)(=O)[C@H](C)C2)[nH]1 894033152 AXZHXHFVHYDNLI-SNVBAGLBSA-N 271.386 1.152 0 50 CDAA CN(C[C@H](O)C1CC1)C(=O)c1ccc2nc(Cl)nn2c1 1776005267 CHAPBNOAPNSDGT-JTQLQIEISA-N 294.742 1.226 0 50 CDAA CCOCCN1CCN(Cc2ccccn2)C[C@H]1C 247097380 HYDVCYWRQRHOTN-CQSZACIVSA-N 263.385 1.624 0 50 CDAA CCOC(=O)c1sc(NC(C)=O)c(C(=O)O)c1C 1591466714 KWWWOFUCVSCDFE-UHFFFAOYSA-N 271.294 1.890 0 50 CDAA Cc1cccnc1CNC(=O)c1c[nH]nc1[C@H]1CCOC1 275562276 PYPODEISRBJBJV-NSHDSACASA-N 286.335 1.547 0 50 CDAA CC(=O)N(C[C@@H]1CCCN1C(=O)c1cc[nH]c1C)C1CC1 276474980 NTIGLKOSKYINMO-AWEZNQCLSA-N 289.379 1.939 0 50 CDAA Nc1cc(CN2CCC(OC[C@H]3CCCO3)CC2)ccn1 170089299 YQVZEGBIOPTIAC-OAHLLOKOSA-N 291.395 1.824 0 50 CDAA O=C(N=c1ccc(C(F)(F)F)n[nH]1)N1CCC(F)(F)C1 408287810 UJWNVYCKYRQOHG-UHFFFAOYSA-N 296.199 1.790 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(C)n(C)c1=O 278446640 VKIYOOAWTMLHQJ-UONOGXRCSA-N 292.379 1.515 0 50 CDAA CC[C@@H](C)[C@@H](O)CNC(=O)c1nnc2ccccc2n1 281352772 VPQLXZCOCIZRGL-SKDRFNHKSA-N 274.324 1.162 0 50 CDAA C[C@H]1CN(C(=O)C2=CCCCCC2)CC(=O)N1C 282452167 SNLDJZJKZPJEIP-NSHDSACASA-N 250.342 1.566 0 50 CDAA O=C(Cc1cccc2c1CCNC2)NC[C@H]1CCC[C@H]1O 637964173 HSWIXWQCHHNXFW-GDBMZVCRSA-N 288.391 1.152 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCO1 188682940 NNMVUJGRFGKANF-WOPDTQHZSA-N 255.358 1.733 0 50 CDAA O=C(O)C1(C(=O)N=c2[nH][nH]c3c(Cl)cccc23)CC1 554267319 KLDULXGNMCGHEF-UHFFFAOYSA-N 279.683 1.442 0 50 CDAA CCC[C@@]1(C)C(=O)NCCN1C(=O)C[C@H]1C=CCC1 189858083 VKCSBQZFAFWNCH-WFASDCNBSA-N 264.369 1.860 0 50 CDAA Cc1ccc(CNC(=O)CN2CCCNC2=O)cc1F 642345756 MWNVDUFHMWBACO-UHFFFAOYSA-N 279.315 1.166 0 50 CDAA COc1cccc(CNC[C@H]2CN(CC(C)C)CCO2)n1 190694629 DOWNCDFHARDOPU-HNNXBMFYSA-N 293.411 1.537 0 50 CDAA O[C@@H]1CCN([C@H]2CCC[C@H]2NCCOc2ccccc2)C1 643963192 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0 50 CDAA O=C(CCN1CC[C@@H](c2nc[nH]n2)C1)Nc1ccccc1 408524900 PDJOPKWAXMMEMR-GFCCVEGCSA-N 285.351 1.623 0 50 CDAA Cn1c(=O)oc2c(C(=O)Nc3ccncc3O)cccc21 170593644 HHXODLAPBGSARJ-UHFFFAOYSA-N 285.259 1.484 0 50 CDAA Cn1nccc1CCN1CC[C@H](Oc2cccnc2)C1 170606262 FKHOXFJHNVJKKZ-HNNXBMFYSA-N 272.352 1.511 0 50 CDAA COC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 238296 CGSCFDOXBOYOGH-UHFFFAOYSA-N 265.237 1.861 0 50 CDAA NC(=O)C1(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 191488179 OUWFZWYPIFMUAG-HTQZYQBOSA-N 250.264 1.715 0 50 CDAA CCCc1noc(CN(C)CCc2cnn(C)c2)n1 23337768 VUVKGBBBUUWNFK-UHFFFAOYSA-N 263.345 1.430 0 50 CDAA CCO[C@H]1C[C@](NC(=O)c2ccoc2)(C(=O)O)C1(C)C 193024348 CHYACDIFUAVGJL-HZMBPMFUSA-N 281.308 1.668 0 50 CDAA COC[C@@H]1CN([C@H](CC(C)C)C(=O)O)C[C@@H](C)O1 566361156 FWUDTMGRQUQAKO-GRYCIOLGSA-N 259.346 1.221 0 50 CDAA Cc1cc(C(=O)N2CC[C@H](C(=O)O)[C@@H]3CCCC[C@H]32)n[nH]1 659194328 LQEZXQRRSUROJF-GMXVVIOVSA-N 291.351 1.824 0 50 CDAA O=C1CC[C@H]2CN(c3ncnc4[nH]ccc34)CC[C@@H]2N1 664337817 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C[C@@H]1O[C@H](C)[C@@H](C(=O)Nc2nc(CC(=O)O)cs2)[C@H]1C 252683581 ORSLQGXATYRDFX-SDCKUUTBSA-N 298.364 1.768 0 50 CDAA Cc1ccc(CNC(=O)C2(C(=O)O)CC2)cc1F 154768018 QBAADIURJJBNAW-UHFFFAOYSA-N 251.257 1.615 0 50 CDAA CSCC[C@H](NC(=O)N(C)Cc1cccnc1)C(=O)O 40579614 MWOQIOFAQOPHPU-NSHDSACASA-N 297.380 1.429 0 50 CDAA Cc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)n1C 181358829 OGAOWKIONJLFCF-NSHDSACASA-N 273.340 1.819 0 50 CDAA COCC1(O)CN(C(=O)Nc2ccccc2Cl)C1 296450378 UPHGZFAOCRRCMZ-UHFFFAOYSA-N 270.716 1.565 0 50 CDAA COCc1nc(CNC2CCN(C(C)C)CC2)no1 65370457 LTXCAGBCWGRZPW-UHFFFAOYSA-N 268.361 1.178 0 50 CDAA COc1ncccc1C(=O)N[C@@H](CO)C(C)(C)C 330597917 DCVAUXZUVNIDBX-JTQLQIEISA-N 252.314 1.227 0 50 CDAA CN1CCC[C@H](C(=O)NC2(CC(=O)O)CCCCC2)C1 426465488 QRRMGNIXMBTOFF-LBPRGKRZSA-N 282.384 1.622 0 50 CDAA O=C(NCCCc1ccccn1)[C@@H]1CCCNCC1 534647858 JYUROLKJYFSUFA-CYBMUJFWSA-N 261.369 1.520 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)C[C@@]1(C)C(=O)O 630306857 TXQCGMDNSUUUCV-AKWBHNSASA-N 273.332 1.896 0 50 CDAA 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O=C(NCc1cccs1)c1cnn2cccnc12 1063952 RNWKAOCINOGBNC-UHFFFAOYSA-N 258.306 1.721 0 50 CDAA COc1ccccc1CNC(=O)C(=O)NCC(C)C 2325932 XQGUHCLXFPGECI-UHFFFAOYSA-N 264.325 1.084 0 50 CDAA Cc1nnc2ncc(-c3ccc(CCN)cc3)cn12 2356162049 VGKLBZFRLKBELA-UHFFFAOYSA-N 253.309 1.601 0 50 CDAA O=C(O)CSc1nncc(-c2cccs2)n1 4206006 JSXXSHGRFHBECU-UHFFFAOYSA-N 253.308 1.777 0 50 CDAA CCCCNC(=O)C(=O)NCCc1ccc(OC)cc1 4725071 UAKXHWRPOWYZRR-UHFFFAOYSA-N 278.352 1.270 0 50 CDAA O=C(CCc1ccccc1)O[C@H]1CCS(=O)(=O)C1 4954814 LTEONMOBQDXPLW-LBPRGKRZSA-N 268.334 1.350 0 50 CDAA CC(C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1 6697421 UNRPFPKOLNTMEM-UHFFFAOYSA-N 284.381 1.834 0 50 CDAA Cc1ccc(N(CCCC(N)=O)S(C)(=O)=O)cc1 8495378 ZAFOOQABTSSAJZ-UHFFFAOYSA-N 270.354 1.027 0 50 CDAA CC[C@H](N=c1nc(O)c2cnn(C)c2[nH]1)[C@@H]1CC1(C)C 418988723 IWVMPBMFFBIGOL-UWVGGRQHSA-N 275.356 1.727 0 50 CDAA O=C(CCCn1cncn1)NCCc1cn2ccccc2n1 54152093 COCXSACMMMIUHH-UHFFFAOYSA-N 298.350 1.065 0 50 CDAA CCOCCN1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O 346062464 KSMIRWOJYSOYOP-BFHYXJOUSA-N 257.374 1.275 0 50 CDAA CCCCNC(=O)c1cccc(OCC(=O)O)c1 20229353 DUDTUZKLQHYRTK-UHFFFAOYSA-N 251.282 1.680 0 50 CDAA COc1cc(N2CCN(c3ccncc3C)CC2)ncn1 65375413 LFCLOYYAWYBMBA-UHFFFAOYSA-N 285.351 1.515 0 50 CDAA Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1C 21487180 QMRUCCSMFYERRP-OAHLLOKOSA-N 278.396 1.291 0 50 CDAA CCCC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)O 20149142 RLNVRFAFRGLCKK-MRVPVSSYSA-N 256.327 1.814 0 50 CDAA Cc1nn(C)c2nccc(N3CC[C@H](n4cccn4)C3)c12 333862181 QDRDABYFUJFCJC-LBPRGKRZSA-N 282.351 1.925 0 50 CDAA NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nnc(C2CC2)s1 428192943 XCMNOLLRGKEYFX-SCVCMEIPSA-N 292.408 1.501 0 50 CDAA Cc1nc(NC[C@@H]2COCCO2)cc(C2CCNCC2)n1 67755544 IXLSXWMUUHWCJJ-CYBMUJFWSA-N 292.383 1.079 0 50 CDAA CC(C)CO[C@@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 236635862 ONESPWAQHSQLEO-OLZOCXBDSA-N 256.390 1.633 0 50 CDAA C[C@@H](N)[C@H]1CCCCN1C(=O)/C=C/c1ccccn1 328596455 QZGWRFQKVMBVSQ-UWCZFHCBSA-N 259.353 1.823 0 50 CDAA Cc1cc(=NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)cc[nH]1 328637535 WAGGGEIDSVRHKS-TZMCWYRMSA-N 286.335 1.262 0 50 CDAA CC1=NN(C(=O)c2cccnc2)[C@](O)(C(F)F)C1 204494 GQJJGQYRGOMLRA-LLVKDONJSA-N 255.224 1.257 0 50 CDAA COc1nccnc1-c1cccc(CN2CCOCC2)c1 67872299 KXOIGKGNFYWMMD-UHFFFAOYSA-N 285.347 1.984 0 50 CDAA CN(CCc1ccccc1)CC(=O)Nc1cnccn1 521396531 SMXPWICFCKTYPC-UHFFFAOYSA-N 270.336 1.590 0 50 CDAA C[C@@H]1CCN(c2noc(-c3ccccc3)n2)C[C@H]1O 253369491 DCQOCNKAEUIDRP-ZYHUDNBSSA-N 259.309 1.944 0 50 CDAA CC(C)n1cncc1CN1CCS(=O)(=O)CC[C@@H]1C 333391408 CYXROPGHSJPOMA-LBPRGKRZSA-N 285.413 1.473 0 50 CDAA CC(C)[C@@H](CO)NC(=O)C1(c2ccccc2)CCOCC1 181011508 CELMICLHEITDNA-OAHLLOKOSA-N 291.391 1.868 0 50 CDAA biogenic CSCc1nc(CNC[C@]2(O)CCCNC2)cs1 72428448 KEJKDUUDNHQKLQ-LBPRGKRZSA-N 287.454 1.210 0 50 CDAA CCC[C@@H](NC(=N)O)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 331006274 SRNMPYZYDHZICJ-QJPTWQEYSA-N 284.404 1.179 0 50 CDAA CCCOCc1nc(C2(OC)CCOCC2)no1 331282080 CWYGCWPQGKLOOV-UHFFFAOYSA-N 256.302 1.648 0 50 CDAA Cc1noc([C@H]2CCN(Cc3ncnn3C(C)C)C2)n1 331506858 DFWDSBODRYXKOZ-NSHDSACASA-N 276.344 1.540 0 50 CDAA NC[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[C@H]2C2CCC2)C1 333601146 QLNOFFJOCWRUFG-CABNGKKXSA-N 265.401 1.849 0 50 CDAA Clc1ccc(-n2nnnc2SCc2nnn[nH]2)cc1 33447207 XWWAONXOFVNULU-UHFFFAOYSA-N 294.731 1.121 0 50 CDAA CC(=O)c1ccccc1-c1nc(N)nc2[nH]cnc12 32558337 PTLBUWBXIGNPNT-UHFFFAOYSA-N 253.265 1.805 0 50 CDAA O=C(COCC(F)(F)F)N1C[C@H]2CCCC[C@H]21 367754986 ABSQQGAETJJENW-RKDXNWHRSA-N 251.248 1.966 0 50 CDAA CNC(=O)C1CN(C(=O)C2(c3cccnc3)CCCC2)C1 334552412 YSPXQLOJZCUWHN-UHFFFAOYSA-N 287.363 1.098 0 50 CDAA O[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCOc1ccccc1 284627973 BISRDOJKNMCJOT-BRWVUGGUSA-N 291.391 1.927 0 50 CDAA Cc1cc(NC(=O)[C@@H]2CCCO2)n(-c2ccccn2)n1 156674780 AUQGNYUYXSRRHM-NSHDSACASA-N 272.308 1.693 0 50 CDAA C[C@H]1COCCN1C(=O)[C@H]1CCCN1c1ccccc1 335686795 ADAVEKBGDPASLL-DZGCQCFKSA-N 274.364 1.903 0 50 CDAA Oc1nc2ccccc2cc1CN1C[C@@H](O)C2(CC2)C1 336432101 PEHVUHZKOKTCHA-CQSZACIVSA-N 270.332 1.897 0 50 CDAA C[C@H](C(=O)N(C)CCC(C)(C)O)n1cc(Cl)cn1 71776630 WURZMJAMBWLXKL-SECBINFHSA-N 273.764 1.717 0 50 CDAA COc1cc(C(=O)O)cc(NC(=O)[C@@H](C)OC)c1OC 262476990 KBOMIOKUEQLZQF-SSDOTTSWSA-N 283.280 1.375 0 50 CDAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1C[C@@H]1C(=O)O 262664177 VGHVVPPVOPXKSU-KBPBESRZSA-N 299.330 1.551 0 50 CDAA Cc1cccc2[nH]c(CN(C)C(=O)c3cn[nH]c3)nc12 215100843 PZUREEXYCOBSEY-UHFFFAOYSA-N 269.308 1.867 0 50 CDAA O=C(CCCN1CCOC[C@H](CO)C1)c1ccc(F)cc1 77343325 JICZSNJEOBJDJL-ZDUSSCGKSA-N 295.354 1.729 0 50 CDAA O=C(NC1CC1)c1ccnc(N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)c1 71730369 OCHOWGIZTVPMEZ-PYHGIMPFSA-N 299.374 1.587 0 50 CDAA O=C(c1cccc(=O)[nH]1)N1CCC(c2ccn[nH]2)CC1 214985065 IOLJAOYTBNTFSG-UHFFFAOYSA-N 272.308 1.118 0 50 CDAA CC(C)c1ccoc1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 285432191 IJYLKTSYMWCZRS-MWLCHTKSSA-N 264.325 1.596 0 50 CDAA O=C1CCN(CC(=O)c2c[nH]c3ncccc23)CC1 45027528 HMAWKDYZZUBRBF-UHFFFAOYSA-N 257.293 1.411 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 221636036 RLKFVWILYFZZED-JTQLQIEISA-N 294.355 1.263 0 50 CDAA O=C1C[C@@H](CNCc2cncnc2)CN1Cc1ccccc1 179053565 ODZUEMAJOZPZQD-HNNXBMFYSA-N 296.374 1.615 0 50 CDAA Cn1c(=O)cc(C(=O)N2CCCC[C@H](N)C2)c2ccccc21 82107191 OOBULCZDXFOWQN-LBPRGKRZSA-N 299.374 1.492 0 50 CDAA Cc1c[nH]c([C@H](C)NC(=O)c2ccc3[nH]nnc3c2)n1 223012891 KXFYRJXKHHOQNJ-QMMMGPOBSA-N 270.296 1.480 0 50 CDAA C[C@H]1CN(C(=O)NCCCc2cccnc2)CCCO1 426649607 JQWOFOSKEABPLR-ZDUSSCGKSA-N 277.368 1.835 0 50 CDAA Cc1ccc(SCCN(C)C(=O)[C@@H]2COC(=O)N2)cc1 426677870 FGAUTINSWDPHJA-LBPRGKRZSA-N 294.376 1.654 0 50 CDAA Cc1cnc(CN(C)C(=O)NCC(C)(C)CN(C)C)[nH]1 426370443 KHLTUFZJKSCTEY-UHFFFAOYSA-N 281.404 1.447 0 50 CDAA CCOC(=O)C[C@@]1(N)CCN(C(=O)OC(C)(C)C)C1 238250601 BIENJLIIUBFKDP-ZDUSSCGKSA-N 272.345 1.278 0 50 CDAA CCc1cccc(OCCN(C)C(=O)N[C@H](C)C(=O)O)c1 426521188 HMCFSQBNDHLLNO-LLVKDONJSA-N 294.351 1.742 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccc(F)cc1 141859133 DQLLUVBHRLNJGL-FVCCEPFGSA-N 293.294 1.320 0 50 CDAA CN(C)Cc1ncnn1Cc1ccc2c(c1)OCO2 97675573 KBDGLYGIZDAUEF-UHFFFAOYSA-N 260.297 1.117 0 50 CDAA O=C(CCc1cn2ccccc2n1)N1CCSCC1 97568914 WDBQHKKIOIMTBM-UHFFFAOYSA-N 275.377 1.842 0 50 CDAA CCCn1cc(C(=O)N[C@H]2CCc3[nH]ncc3C2)c(C)n1 91915424 UOXRUYPOPXQJED-LBPRGKRZSA-N 287.367 1.612 0 50 CDAA O=C(NC[C@@H]1COc2ccccc2C1)c1ccno1 95497695 XSIXYXJBNCVFDW-SNVBAGLBSA-N 258.277 1.656 0 50 CDAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(O)cc1 239212607 TUFXXXBQHJYADM-PKCACUDHSA-N 281.311 1.950 0 50 CDAA Cc1ccc([C@H](CCO)NC(=O)Nc2cnn(C)c2)cc1 95509301 YPVFHWKSOAZTPZ-AWEZNQCLSA-N 288.351 1.974 0 50 CDAA CCN1CCC(CC(=O)NCc2cc(C)nn2C)CC1 95353693 CFKWDNDLJIIVTF-UHFFFAOYSA-N 278.400 1.467 0 50 CDAA C[C@]1(O)CCN(C(=O)c2cccc3c2NCCC3)C[C@@H]1O 96149621 QMPBLRANHBLBND-BBRMVZONSA-N 290.363 1.003 0 50 CDAA CC(C)Nc1ncc(C(=O)N[C@H]2CCSC2)cn1 97745028 YWKLSJZDEVEBEI-JTQLQIEISA-N 266.370 1.532 0 50 CDAA CC[C@H](C(=O)N(C)CCCc1cnn(C)c1)n1cccn1 91586821 IAEWCOZPXRGHGP-CQSZACIVSA-N 289.383 1.659 0 50 CDAA O=S(=O)(c1cccs1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 247359633 ZACOVLKABLFGPU-UKKRHICBSA-N 285.390 1.546 0 50 CDAA C[C@H]1Nc2nc(N)nc(O)c2N(C(=O)c2ccccc2)[C@@H]1C 253536330 SRBMRRQGJUYQAT-RKDXNWHRSA-N 299.334 1.614 0 50 CDAA CNC(=O)C[C@H](C)N(C)Cc1cncn1CC(C)C 252479834 BNMLNRHYZASBMN-LBPRGKRZSA-N 266.389 1.496 0 50 CDAA COc1cccc(C(=O)n2ncc(C)c2N)c1OC 252498541 REJKOOHJXRSXPM-UHFFFAOYSA-N 261.281 1.479 0 50 CDAA COc1cc(NCC2(CN3CCCC3)CC2)nc(OC)n1 534634278 CWDMWJBKXCNLPI-UHFFFAOYSA-N 292.383 1.782 0 50 CDAA Cc1nc(C)c(CC(=O)NCc2nnc(N)s2)s1 534663477 UJSLPNGEXAKZDX-UHFFFAOYSA-N 283.382 1.053 0 50 CDAA O=C(OCc1ccccc1)N1C[C@H](O)C(F)(F)C1 261509003 YYXSQDYMDGAHLV-JTQLQIEISA-N 257.236 1.635 0 50 CDAA O=C(CN1CCCCCCC1)NCC[C@H]1CCOC1 534671776 LIZYQILIEMOCKR-AWEZNQCLSA-N 268.401 1.795 0 50 CDAA Cc1csc([C@@H](C)CNC(=O)c2cnc[nH]2)n1 273269078 JEKLHGOQTQIEOC-ZETCQYMHSA-N 250.327 1.708 0 50 CDAA O=C(C[C@@H]1CCOC1)NC1CCN(C2CCCC2)CC1 370083613 RIGAMAAYOASUMM-ZDUSSCGKSA-N 280.412 1.936 0 50 CDAA Cc1nnsc1CNC(=O)N1CCSCC1 291859341 ITCXCYDEAAZQRA-UHFFFAOYSA-N 258.372 1.105 0 50 CDAA CCCc1nc(N(C)C[C@H](C)N2CCOCC2)no1 823023331 LFSBTZFCAFNCLU-NSHDSACASA-N 268.361 1.179 0 50 CDAA Cc1cc(C)nc(CN(C)C(=O)c2c[nH]c(=N)s2)c1 584895873 ZXUJHQWPSIVSMO-UHFFFAOYSA-N 276.365 1.840 0 50 CDAA Cc1csc(CN(C)CCn2cnnc2C)n1 584897699 DMMPWWHAFFQNEW-UHFFFAOYSA-N 251.359 1.483 0 50 CDAA Cc1ccccc1S(=O)(=O)N(C)CC1(CO)CCC1 670459286 PVYAKGOGQHLQLE-UHFFFAOYSA-N 283.393 1.778 0 50 CDAA Cc1nccn1CC[C@H](C)NCc1cnc2cnccn12 670443476 ZNRNJXRADNYCOZ-LBPRGKRZSA-N 284.367 1.803 0 50 CDAA COc1cccc([C@H]2CC(=O)Nc3nc(N)nc(N)c32)c1 670416183 WOUUHTAACCQGHY-SECBINFHSA-N 285.307 1.124 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3ncc[nH]3)n[nH]c21 1875288841 GENSFVFYZZRIRR-BDAKNGLRSA-N 289.339 1.128 0 50 CDAA Cc1ccccc1C(=O)N1CC[C@@]2(C1)OC(=O)N[C@H]2C 1875299351 IJXLPXNAFRXMMT-NHYWBVRUSA-N 274.320 1.708 0 50 CDAA CN1CCC[C@@]12CCN(C(=O)c1c[nH]c3nccc-3c1)C2 1875283845 DXBNVCFSHVRUIW-INIZCTEOSA-N 284.363 1.825 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3cnoc3)n[nH]c21 1875395232 SENIAPBHNMXYRQ-BDAKNGLRSA-N 290.323 1.392 0 50 CDAA N[C@H](Cc1cc2ccccc2o1)c1nc(-c2nc[nH]n2)no1 1875357810 XTXRTSIPKZOZGC-SNVBAGLBSA-N 296.290 1.843 0 50 CDAA CC(=O)c1ccc(NCCN2CCC[C@H](CO)C2)nc1 952984432 VGZYQPIALCMRDS-ZDUSSCGKSA-N 277.368 1.400 0 50 CDAA CC(C)(C)n1ncnc1-c1ccccc1-c1nn[nH]n1 952869410 SGRNMQZJECDECV-UHFFFAOYSA-N 269.312 1.880 0 50 CDAA Cc1cc(Br)cc(C(=O)NC2(C(N)=O)CC2)c1 133692653 CYPXAOWIHDTQRF-UHFFFAOYSA-N 297.152 1.505 0 50 CDAA CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)O 44137586 AAEZKWUAXIQWAS-QMMMGPOBSA-N 259.302 1.486 0 50 CDAA in-vitro COC(=O)c1c(NC(=O)C2CC2)c2cccnc2n1C 1361713468 JNLXCYGXAGHRJI-UHFFFAOYSA-N 273.292 1.708 0 50 CDAA C[C@@H](N)C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 166377853 TZJQBRDXONMIQE-UKRRQHHQSA-N 275.396 1.014 0 50 CDAA CCN(C)C(=O)CNc1nc(C)nc2c1CCCC2 274816902 ZJPZWKAYZLIIFA-UHFFFAOYSA-N 262.357 1.554 0 50 CDAA C[C@@H]1CCn2cc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)nc2C1 585138260 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CO[C@@H]1CC[C@H](c2nc(C)nn2CC(F)(F)F)C[C@H]1N 1857718077 MSLATJLVKTUHEU-IVZWLZJFSA-N 292.305 1.759 0 50 CDAA Cc1c(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cnn1C 1615555388 SHNNZKBKXIKOEM-GDBMZVCRSA-N 284.363 1.012 0 50 CDAA COC1CCN(C(=O)c2ccc(-c3cnn(C)c3)o2)CC1 1615589386 OVWISFCPWVCCKV-UHFFFAOYSA-N 289.335 1.931 0 50 CDAA C[C@@H](NC(=O)C1(C)CCOCC1)c1csnn1 1120745890 FIBAWHYHAGCGPA-MRVPVSSYSA-N 255.343 1.532 0 50 CDAA O[C@H]1CN(Cc2ccsc2)C[C@@H]1Cc1cnccn1 1615736770 MNUNASBVKSSUBO-JSGCOSHPSA-N 275.377 1.574 0 50 CDAA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(Cl)s1 131805535 VSRIBKJBSNIFKY-SFYZADRCSA-N 294.829 1.902 0 50 CDAA COc1cccc(C(=O)N2CCOC[C@H](C)C2)c1OC 372881683 OFNIWEACVUIJSZ-LLVKDONJSA-N 279.336 1.812 0 50 CDAA Cc1nc(C)c(CNC(=O)c2nsnc2C)s1 1775979289 KHLHBWXJSZFOSW-UHFFFAOYSA-N 268.367 1.850 0 50 CDAA CSCC(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 12300252 XLYCQKVLVWVWBP-LBPRGKRZSA-N 284.425 1.647 0 50 CDAA C[C@H]1CCCN(C(=O)c2cccc(NS(C)(=O)=O)c2)C1 13612120 CYWSBTUSOWUANS-NSHDSACASA-N 296.392 1.930 0 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COc1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 514338 LFOVKUHMYWDDPQ-NSHDSACASA-N 265.309 1.321 0 50 CDAA CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1 796195 JGUMHHQQVZVWSE-UHFFFAOYSA-N 282.365 1.297 0 50 CDAA C1C[C@H](N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)CO1 225542787 ZXZIBDZLPGKZBO-AJNGGQMLSA-N 250.386 1.582 0 50 CDAA C[C@@H](C(=O)O)N1CCCN(c2nccs2)CC1 237484730 SZEFSBAASYBHLS-VIFPVBQESA-N 255.343 1.128 0 50 CDAA O=C(O)c1cnc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 263505383 LWYGTWYABWEFSZ-FXAINCCUSA-N 275.308 1.544 0 50 CDAA c1cnc(N2CCN(Cc3ccsc3)CC2)nc1 55544043 JRSFRMCYAPKNGG-UHFFFAOYSA-N 260.366 1.860 0 50 CDAA CCc1ccc(CN2CCOC[C@@H](CO)C2)nc1 77524420 SHPMAPKJVHXVIR-CYBMUJFWSA-N 250.342 1.085 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)CC(F)(F)F 643849084 SISREILOUVLYRH-SECBINFHSA-N 269.219 1.031 0 50 CDAA Cc1n[nH]c([C@@H](C)Nc2cc(C(C)C)nc(N)n2)n1 91871312 ASKUIHLLPXBSSF-SSDOTTSWSA-N 261.333 1.782 0 50 CDAA OC[C@H]1CNCCN1Cc1nc2ccccc2s1 685943314 LGLQREDSFGGEQH-SNVBAGLBSA-N 263.366 1.062 0 50 CDAA O=S1(=O)CC[C@H](Nc2nnc(-c3ccccc3)s2)C1 828395680 YABHRLITVGIWEG-JTQLQIEISA-N 295.389 1.804 0 50 CDAA CCOC(=O)c1ccn2ncc(Br)c2n1 145690627 CCOZOQKGDLNIRK-UHFFFAOYSA-N 270.086 1.669 0 50 CDAA C[C@@H](Cc1c[nH]c2ccccc12)NC(=N)NC(=N)N 173319 UMCUSGNBKYXNDW-QMMMGPOBSA-N 258.329 1.106 0 50 CDAA CCOC(=O)[C@H]1CC=C(B(O)OC(C)(C)C(C)(C)O)CC1 232320378 KOAKVGKZCZTSLT-NSHDSACASA-N 298.188 1.862 0 50 CDAA Cc1cnn(C2CCN(C(=O)c3nc(C)co3)CC2)c1 2325776557 YPGRXYJJXYJKCL-UHFFFAOYSA-N 274.324 1.965 0 50 CDAA C[C@@](NC(=O)[C@@H]1CCOC1)(C(=O)O)c1ccc(Cl)cc1 2325812948 XBYISSWDGAELHK-OTYXRUKQSA-N 297.738 1.793 0 50 CDAA COc1cnc(C)nc1NS(=O)(=O)c1ccc(N)cc1 390733 HSONXIIEJAALKR-UHFFFAOYSA-N 294.336 1.177 0 50 CDAA Cc1ccc(C(=O)O)cc1S(=O)(=O)N1CCCC1 413813 YRTXMUYMWFEMSV-UHFFFAOYSA-N 269.322 1.478 0 50 CDAA O=C1OCC[C@@H]1Sc1nnnn1-c1ccccc1 618059 IPAZIKZSNCFZNP-VIFPVBQESA-N 262.294 1.070 0 50 CDAA O=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12 1061465 GBHYUTNSBXHCPK-UHFFFAOYSA-N 282.259 1.710 0 50 CDAA Cc1c(-c2nnc3n2[C@@H](C)C(=O)N2CCC[C@H]32)cnn1C 2356143374 FMEPNVGBJWWURE-GXSJLCMTSA-N 286.339 1.225 0 50 CDAA CCCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O 2479812 VBLZXGQFGDIFIP-LLVKDONJSA-N 271.338 1.608 0 50 CDAA O=C(N[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F 2522728 HFZWIEKMCFJKFB-NSHDSACASA-N 272.270 1.939 0 50 CDAA CCCc1cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)n[nH]1 2356167833 FDLPNQODXFSSHD-MGCOHNPYSA-N 279.340 1.735 0 50 CDAA C=CC(=O)NC(NC(=O)C=C)c1ccc(Cl)cc1 2983373 UBCKYNCDEJUEIZ-UHFFFAOYSA-N 264.712 1.943 0 50 CDAA CNC(=O)C(=O)Nc1ccc(Br)cc1C 4840120 KHEKTHZCDYTHKM-UHFFFAOYSA-N 271.114 1.442 0 50 CDAA CCN(C)[C@H](C(=O)N1CC[C@@H](C(=O)O)C1)c1ccccc1 247448439 YSNBVXKNYADDAM-KGLIPLIRSA-N 290.363 1.613 0 50 CDAA CCCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10314759 QZEJELALPPHJBM-UHFFFAOYSA-N 270.354 1.506 0 50 CDAA CN(CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C)C1CC1 248124876 LIRRQMWHNXVVMF-ZIAGYGMSSA-N 265.401 1.166 0 50 CDAA Cc1ccc(C)c(OCC(=O)N2CC[C@@H](O)C2)c1C 55099241 WYHLPBITAZPHNT-CYBMUJFWSA-N 263.337 1.584 0 50 CDAA CCc1ncnc(CC)c1C(=O)N(C)CCN(C)C1CC1 347070137 MZACGWDGBXUNGD-UHFFFAOYSA-N 290.411 1.768 0 50 CDAA CC(C)N1CCC(CC(=O)N(C)CCc2cn[nH]c2)CC1 67847459 QUQAJLBSJSCWSN-UHFFFAOYSA-N 292.427 1.921 0 50 CDAA Cc1noc(C)c1-n1c(CCC(F)(F)F)n[nH]c1=O 67804683 HNWPAVYEQSNXKS-UHFFFAOYSA-N 276.218 1.660 0 50 CDAA CCC1=NO[C@@H](CNC(=O)/C=C/c2cc(CO)cs2)C1 1506423458 FKONQLRNDBLZBE-AAOUONPWSA-N 294.376 1.925 0 50 CDAA O[C@@H]1CCCN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 229106595 AHSNMAFOVLSLQC-HUUCEWRRSA-N 299.798 1.674 0 50 CDAA Cc1ccc(C(N)=O)cc1-n1ncc2cccnc21 65383384 DARDUTLSSMUEHI-UHFFFAOYSA-N 252.277 1.828 0 50 CDAA CC[C@H](C(=O)Nc1cnn2c1NCCC2)n1cccn1 1506400900 GUMQHEOSPDRXTI-LLVKDONJSA-N 274.328 1.485 0 50 CDAA CCC(C)(C)[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 122034944 OEJFPNRVZXSHCD-MNOVXSKESA-N 252.358 1.692 0 50 CDAA NC[C@@H]1CC[C@@H](c2nc(COc3ccc(F)cc3)no2)O1 328608782 BFHQWXNQFJYPNJ-RYUDHWBXSA-N 293.298 1.967 0 50 CDAA CN(C)c1ccc(CCNC(=O)[C@@H]2CCCCO2)cc1 121756531 CVQZQWVFAPGTFD-HNNXBMFYSA-N 276.380 1.980 0 50 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COC(=O)[C@@H]1Cc2nc[nH]c2CN1C(=O)OC(C)(C)C 97756897 LGMBOMJYCVXRBA-JTQLQIEISA-N 281.312 1.245 0 50 CDAA CCC[C@]1(CO)CCCN(Cc2nnc(OC)s2)C1 91997238 AWURCCYJSKPTFF-ZDUSSCGKSA-N 285.413 1.921 0 50 CDAA CC(C)(C)OC(=O)[C@@H]1CCC2(CCNCC2)NC1 90411768 LBZJQOBUIXWLIZ-LLVKDONJSA-N 254.374 1.450 0 50 CDAA COCc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncn1 91547592 FDJWJLYJYWPHDS-YGRLFVJLSA-N 263.341 1.220 0 50 CDAA O=C(N[C@H]1CCCCNC1=O)c1cccc(-c2cn[nH]c2)c1 96131272 MJURBJYZHDMWKC-AWEZNQCLSA-N 298.346 1.475 0 50 CDAA Cc1cc2c(cc1CN1CC[C@](C)(O)[C@@H](O)C1)OCCO2 96141848 BVVRCIVZBDAOHK-HOTGVXAUSA-N 293.363 1.084 0 50 CDAA Cc1nnsc1C(=O)N1C[C@@H](C)[C@](O)(C(C)C)C1 91973982 ULMWDKVQRIGJQY-PRHODGIISA-N 269.370 1.326 0 50 CDAA Cc1ccc(N2C[C@H](C)N(CCC(=O)O)CC2=O)cc1 91255221 HFNSLFPLUISVDK-LBPRGKRZSA-N 276.336 1.507 0 50 CDAA Cc1nn(C)c2nc(N3CCC[C@H](CO)C3)sc12 95501962 MBBHNEQVXQURBM-VIFPVBQESA-N 266.370 1.547 0 50 CDAA CN(C[C@@H]1COCCO1)c1ncnc2cc(F)ccc12 91908183 LLVWGYKSACZYNE-LLVKDONJSA-N 277.299 1.621 0 50 CDAA O=C(c1ccon1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 247095005 VXPVMHSIJBENLI-SGMGOOAPSA-N 275.352 1.621 0 50 CDAA CC(C)(C)CCS(=O)(=O)N[C@H]1CCCOCC1 183382662 SLCARMHEUWHETJ-NSHDSACASA-N 263.403 1.911 0 50 CDAA Cc1nccc(N2CCN(Cc3ncc(C)s3)CC2)n1 183773766 RNLCXIIKFQBBCR-UHFFFAOYSA-N 289.408 1.872 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2ccncn2)C1 257297844 RIZFIYWRZLICDX-CYBMUJFWSA-N 299.378 1.765 0 50 CDAA CCc1ccc(CN(C)C(=O)N[C@@H]2CCN(C)C2=O)nc1 534672453 TXHVCFRVDUDGHD-CYBMUJFWSA-N 290.367 1.016 0 50 CDAA Cc1noc([C@H](C)NC(=O)Cc2ccc3nc(C)[nH]c3c2)n1 534648692 LAEKYRFHUFDWCF-QMMMGPOBSA-N 299.334 1.983 0 50 CDAA CCC[C@H](NC(=O)Nc1cc(C)nn1C(C)C)C(=O)NC 299794637 KXNHUGNSJSSYKR-NSHDSACASA-N 295.387 1.809 0 50 CDAA COc1nc(NCCc2nc(C3CC3)no2)ncc1F 824845775 JJJMTWHZUHHHSE-UHFFFAOYSA-N 279.275 1.539 0 50 CDAA COC(C)(C)CCNC(=O)Cc1c(C)n[nH]c1C 584898771 KRNOWPFEVQJGGN-UHFFFAOYSA-N 253.346 1.500 0 50 CDAA Cc1cccc(CCN2CCC[C@@H](c3nc[nH]n3)C2)n1 670454637 XUMHULKTMZBMBH-CYBMUJFWSA-N 271.368 1.930 0 50 CDAA CCc1cccnc1C(=O)N1CCN(c2cnccn2)CC1 271133833 STDDHIACSRBODD-UHFFFAOYSA-N 297.362 1.396 0 50 CDAA Cc1ncccc1CNC(=O)N1C[C@@H]2CC[C@]2(N)C1 1553514564 KZUPLGBGECYNBO-JSGCOSHPSA-N 260.341 1.023 0 50 CDAA CCC1(c2cn([C@H](C)C(=O)N3CCCC3)nn2)COC1 1875345354 YCRXZYXCYCKZAK-LLVKDONJSA-N 278.356 1.140 0 50 CDAA c1cnn([C@@H]2COCCN(c3ncnn4cccc34)C2)c1 1875394921 BGXAINYZLPAHKW-LBPRGKRZSA-N 284.323 1.004 0 50 CDAA C[C@@H]1COCC[C@H]1C(=O)N=c1[nH]oc2c1CCCCC2 1875302993 QIFNBEAPDIUYJZ-GHMZBOCLSA-N 278.352 1.977 0 50 CDAA c1ccc(Cn2nnnc2N2CCC[C@@H]2[C@@H]2CCCO2)cc1 952850495 XITSLKIRUIIKPN-CABCVRRESA-N 299.378 1.869 0 50 CDAA NC(=O)c1ccnc(NCc2cnn(CC3CCC3)c2)c1 1875272173 RLLFLXQQNSGYKG-UHFFFAOYSA-N 285.351 1.789 0 50 CDAA NCCCOC1CCN(C(=O)C2[C@@H]3CCC[C@@H]23)CC1 132835264 QMPUXEWKIPBJLX-CHWSQXEVSA-N 266.385 1.389 0 50 CDAA CN(C)CCNC(=O)c1cc2c(s1)CCCC2 16579915 QKBVASPZSGFJSJ-UHFFFAOYSA-N 252.383 1.918 0 50 CDAA C[C@H](c1cnn(C)c1)c1nc(-c2nn[nH]c2Cl)no1 1775985319 PPTZEDBIMLXRRT-RXMQYKEDSA-N 279.691 1.393 0 50 CDAA Cc1cc(C(=O)N2CCc3c(cccc3C(N)=O)C2)ccn1 1361823192 PZLHRAYVYLGYDW-UHFFFAOYSA-N 295.342 1.687 0 50 CDAA Cc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)O 1535639661 WSGLMLSMFAYKFA-UHFFFAOYSA-N 253.258 1.830 0 50 CDAA O=C(Cc1ccccc1Br)N1CCOCC1 38537648 BNIMNPAXLSQYBU-UHFFFAOYSA-N 284.153 1.850 0 50 CDAA in-vitro NC(=O)[C@@H]1CC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2[nH]1 1363563230 ZQEKHJPDBCVCON-HTQZYQBOSA-N 292.726 1.666 0 50 CDAA CC(=O)c1ccc(C(=O)N[C@H]2C[C@H]3OCC[C@@H]23)s1 1565525486 ZOGJURGMYVGSJZ-LPEHRKFASA-N 265.334 1.858 0 50 CDAA CNC(=O)CCN(C)CC(F)(F)c1ccc(F)cc1 1434459989 YNMNXFIFCMABQD-UHFFFAOYSA-N 274.286 1.985 0 50 CDAA CC1(C(=O)O)CCN(C(=O)Nc2cnn(CCF)c2)CC1 630568558 KGRMUDQBLMGDRC-UHFFFAOYSA-N 298.318 1.571 0 50 CDAA Cc1cn2nc(NC[C@@H]3CCc4nccn4C3)sc2n1 275504219 CSTJGGMXUSRKHE-JTQLQIEISA-N 288.380 1.970 0 50 CDAA O=C1CNC(=O)N1CC1(Sc2ccccc2)CC1 170592579 FBPNZBIGHFBPTH-UHFFFAOYSA-N 262.334 1.863 0 50 CDAA CCOCCCNS(=O)(=O)CCC(F)(F)F 170619827 RHFTWFPVNSYJHU-UHFFFAOYSA-N 263.281 1.285 0 50 CDAA CCn1nccc1CCN1CCN(c2cnn(C)c2)CC1 170607451 PSDAGSXTSZYBTD-UHFFFAOYSA-N 288.399 1.001 0 50 CDAA C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C2CC2)on1 172059391 VTLVMMTYWMZGIG-CMPLNLGQSA-N 275.352 1.861 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@H](C(N)=O)C2)C1 584907098 PQTKIJUOLFCAEZ-NEPJUHHUSA-N 297.399 1.051 0 50 CDAA c1ccc(-n2cnnc2CNC[C@@H]2CCCCO2)cc1 585117030 PKMCBALGMFYJIP-AWEZNQCLSA-N 272.352 1.926 0 50 CDAA Oc1ccc(CN2CCN(Cc3csnn3)CC2)cc1 585138218 WLMIZIKAOQLCHQ-UHFFFAOYSA-N 290.392 1.562 0 50 CDAA CC[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)C(C)C 408207963 YRKJACKFGMZAQN-MNOVXSKESA-N 255.362 1.341 0 50 CDAA CN(C(=O)CN1CCO[C@H]2CCCC[C@H]21)C1CC1 250373905 MPQSJUIHUVUCMZ-OLZOCXBDSA-N 252.358 1.251 0 50 CDAA Cc1cc(CN2C[C@@H](C)[C@H](C(N)=O)C2)ccc1F 408473659 GPLAXHFJZVJSPZ-ZYHUDNBSSA-N 250.317 1.687 0 50 CDAA CC(C)c1nccn1CCC(=O)N1CCN[C@H](C)C1 188395144 DGDKBTVFGXGDFM-GFCCVEGCSA-N 264.373 1.217 0 50 CDAA C[S@](=O)c1ccc(CC(=O)OCCc2cn[nH]c2)cc1 225389348 DHFKRNQXVOYNOI-FQEVSTJZSA-N 292.360 1.476 0 50 CDAA O=c1[nH]c(SCC[C@H]2CCCO2)nc2[nH]ncc12 189227590 JOADAQQBLVKGMT-SSDOTTSWSA-N 266.326 1.307 0 50 CDAA CC[C@]1(CO)CCCN1C(=O)Cc1c(C)nn(C)c1C 189303226 JSDCUTNNDSZXSM-OAHLLOKOSA-N 279.384 1.343 0 50 CDAA CCN1CCCN(Cc2ccc3c(c2)CCO3)CC1=O 191539860 BWLSBQKNOHZTTE-UHFFFAOYSA-N 274.364 1.676 0 50 CDAA O=C(O)C1CC(NS(=O)(=O)c2ccc(Cl)s2)C1 693453303 PVKPLTQGJHBAEZ-UHFFFAOYSA-N 295.769 1.543 0 50 CDAA CN(C(=O)c1ccc(C(F)(F)F)c(O)n1)[C@H]1CCOC1 668401554 YRZNRHSWLVSQBB-ZETCQYMHSA-N 290.241 1.667 0 50 CDAA CN(Cc1nncn1C)[C@H]1CCC(=O)N(CC2CC2)CC1 1506424177 ZDMOQXXNUIQWKW-ZDUSSCGKSA-N 291.399 1.038 0 50 CDAA C[C@@H](c1cccnc1)N(C)CC(=O)Nc1ccn(C)n1 1506420088 TWCIJVPCMNFWNS-NSHDSACASA-N 273.340 1.447 0 50 CDAA O=C1O/C(=C\C(=O)N2CCOCC2)c2ccccc21 88558 YQSCBGQGANVYNY-XFXZXTDPSA-N 259.261 1.057 0 50 CDAA C[C@H]1CN(C(=O)CN(C)CCC[C@@H]2CCCO2)C[C@@H](C)O1 1529195904 PZSRGGHRNQSOQS-QLFBSQMISA-N 298.427 1.513 0 50 CDAA CS(=O)(=O)c1cc(Br)ccc1C=O 154143 KMXMXSSAUZKLCE-UHFFFAOYSA-N 263.112 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O=C(NC[C@H]1CCCO1)c1cc(=O)[nH]c2ccccc12 218598 CDBGCPLHOAOUTR-SNVBAGLBSA-N 272.304 1.437 0 50 CDAA O=C(Cc1ccn[nH]1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253396143 LHCFBUQXRRWZJT-MGPQQGTHSA-N 277.368 1.494 0 50 CDAA CN1CCC(N2CCC[C@H](CN3CCCC3)C2)CC1 32565509 PZGWUEYTZIGAMX-OAHLLOKOSA-N 265.445 1.888 0 50 CDAA CO[C@H](C)CN1CCC[C@@H](Cc2noc(C)n2)C1 182126822 OTPPTLOLDXYZLM-PWSUYJOCSA-N 253.346 1.667 0 50 CDAA CCC1(C(=O)O)CCN(C(=O)[C@H](O)CCSC)CC1 426490346 SEMYWLFBJSRQNF-SNVBAGLBSA-N 289.397 1.204 0 50 CDAA CC(C)c1nc(CN(C)C(=O)C[C@@H]2CNCCO2)cs1 534647915 LVGUVVACHWUSKX-GFCCVEGCSA-N 297.424 1.603 0 50 CDAA Cc1nc(C)c(C(=O)Nc2cccc3nn(C)nc23)o1 2100480703 RHEMRFWJNIUGQL-UHFFFAOYSA-N 271.280 1.825 0 50 CDAA Cc1nc(CN)ccc1C(=O)NOCc1ccccc1 2325718814 QAIFYZBRPJUUJU-UHFFFAOYSA-N 271.320 1.710 0 50 CDAA C[C@@H]1CC/C(=C\C(=O)NC[C@]2(C)CCC(=O)N2)C1 837223924 NBAKROPOVYXBAX-JIGLYFGDSA-N 250.342 1.518 0 50 CDAA Cn1nc(C(=O)O)cc1CN1CCC[C@@H]2C[C@@H](O)CC[C@@H]21 2325789252 GYTDOIKZBOVVIJ-OSMZGAPFSA-N 293.367 1.244 0 50 CDAA C[C@@H](Cc1ccccn1)NC(=O)C[C@H]1C=C[C@@H](N)C1 2325797638 JVECZBZPGGLDIJ-RWMBFGLXSA-N 259.353 1.422 0 50 CDAA NC(=O)[C@@H](c1ccccc1)N1C[C@]23CCC[C@]2(COC3)C1 2325827337 CLWSYOFFSPXDGX-OIISXLGYSA-N 286.375 1.716 0 50 CDAA C=CC(=O)N(C)CC(=O)Nc1cc(C)c(OC)cc1C 861342395 WEGLHDFNQURZLU-UHFFFAOYSA-N 276.336 1.895 0 50 CDAA COCc1nnc(NC(=O)c2cccs2)s1 298922 ALTOIPJKVVQPCZ-UHFFFAOYSA-N 255.324 1.998 0 50 CDAA O=C(c1nc2ncccn2n1)N1CCc2ccccc2C1 338917 UVHURNBGIJZQSI-UHFFFAOYSA-N 279.303 1.323 0 50 CDAA COC(=O)C(CCCC1O[C@@H](C)[C@H](C)O1)C(=O)OC 393477 DDRIOKJVFMMWEC-IUCAKERBSA-N 274.313 1.269 0 50 CDAA O=C(Cn1nnc(-c2cccs2)n1)NCc1ccco1 418291 YAGAIXATBKGKBW-UHFFFAOYSA-N 289.320 1.311 0 50 CDAA O=C(NCc1ccccn1)C(=O)Nc1cccc(Cl)c1 2900839 BTLDBRPESJLDGB-UHFFFAOYSA-N 289.722 1.990 0 50 CDAA O=C(COc1ccc2c(c1)OCO2)Nc1cccnc1 4935651 YUPPZEMXNAEJIU-UHFFFAOYSA-N 272.260 1.828 0 50 CDAA COc1cc(S(=O)(=O)n2ccc(C)n2)c(OC)cc1C 6697453 XOAUDFJFJKZALZ-UHFFFAOYSA-N 296.348 1.754 0 50 CDAA 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CCC(CC)n1nc(C(=O)N(C)Cc2nnc[nH]2)cc1C 180575185 TWXRCGVXJNDUHO-UHFFFAOYSA-N 290.371 1.943 0 50 CDAA Cc1nc(N(C)C)ncc1C(=O)N1CCc2ncccc2C1 95384787 DWRXWFZPUKDLKQ-UHFFFAOYSA-N 297.362 1.445 0 50 CDAA Cc1noc([C@H]2CC(=O)N(Cc3ccccn3)C2)n1 96150772 OAMPNZXBDRZKPY-JTQLQIEISA-N 258.281 1.289 0 50 CDAA Cc1cc(C)c(NC(=O)N(C)C[C@@H]2COCCO2)c(C)n1 95502943 ZMLZYDMHSHVWAU-CYBMUJFWSA-N 293.367 1.886 0 50 CDAA CCN(CCOC)C(=O)c1cc(-c2cccn2C)n[nH]1 91974151 BAJQCFVNAZQVRI-UHFFFAOYSA-N 276.340 1.524 0 50 CDAA COc1c[nH]c(C(=O)Nc2cc(Cl)ccn2)cc1=O 524733196 DNGPKTFIJYTWJH-UHFFFAOYSA-N 279.683 1.684 0 50 CDAA CC(=O)Nc1cc(C(=O)NCC2(C(=O)O)CC2)ccc1C 621571909 SWAYCUHRJORVCP-UHFFFAOYSA-N 290.319 1.548 0 50 CDAA Cn1nncc1CN1CCC[C@H](c2ccncc2)C1 296005649 QDZLQEVMUFESNZ-ZDUSSCGKSA-N 257.341 1.590 0 50 CDAA Cc1nc(NC[C@@]2(O)CCOC2)ccc1Br 181978483 PLEYLSAZRQYDOO-NSHDSACASA-N 287.157 1.716 0 50 CDAA Cc1ccn(CCN2CCC(N3CCSCC3)CC2)n1 244748685 OMLICLOLTFOBGX-UHFFFAOYSA-N 294.468 1.705 0 50 CDAA Clc1cnn(CCN2CCc3[nH]cnc3C2)c1 252510279 ZGBBNGVPJCGPPT-UHFFFAOYSA-N 251.721 1.318 0 50 CDAA COC(=O)N1CCCC[C@H]1C(=O)NCC1(CO)CCCC1 534637674 XDVYJTQFMOZHCW-LBPRGKRZSA-N 298.383 1.276 0 50 CDAA NCc1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 364033179 UDXJEEZFMQMVBB-ZDUSSCGKSA-N 270.336 1.156 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H](C)C2)cc1F 271225059 HCKMGMIGTOCXMV-MNOVXSKESA-N 287.356 1.980 0 50 CDAA OC[C@H]1CCCN(CCN=c2cc[nH]c3ccccc23)C1 828711304 ZGLXCXAGYBZTQN-AWEZNQCLSA-N 285.391 1.773 0 50 CDAA CC(C)Cc1noc([C@H](C)n2cnc3cccnc3c2=O)n1 584889428 AXYPHWXRXJRKSA-JTQLQIEISA-N 299.334 1.982 0 50 CDAA N=c1nc2c(c(N)[nH]1)[C@@H](c1ccccc1Cl)CC(=O)N2 585655830 WZGJKPOOOZMTCX-SSDOTTSWSA-N 289.726 1.599 0 50 CDAA O=C(N[C@H]1CCC[C@@H](CO)C1)c1nc2ncccc2[nH]1 828784709 PEUNQLPYPYHWJS-ZJUUUORDSA-N 274.324 1.239 0 50 CDAA C[C@H](Oc1ccc(NC(=O)[C@@H]2CCCO2)cc1F)C(=O)O 630259958 SGQDXLAASFTVSB-UFBFGSQYSA-N 297.282 1.795 0 50 CDAA Cc1ccc([C@H]2CCCN2C(=O)[C@H](O)c2cnc[nH]2)o1 865915162 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289.375 1.523 0 50 CDAA Cc1c(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)oc2c(C)cccc12 1364887983 XMJQQCHRDRLIGD-UOJUARBOSA-N 289.331 1.664 0 50 CDAA O=C(CCN1CCOCC1)Nc1cccc(F)c1 19841605 CMRWPHPTHPRTJM-UHFFFAOYSA-N 252.289 1.487 0 50 CDAA CC[C@]1(CO)CCCN1C(=O)NCc1cccn1C 275968703 FDWBELNYGQJYAR-CQSZACIVSA-N 265.357 1.472 0 50 CDAA CO[C@H]1CNC[C@H]1NC(=O)CCc1ccc(C)cc1C 170051409 UWQQKZLRTVSOKP-CABCVRRESA-N 276.380 1.339 0 50 CDAA C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Cc2nc[nH]n2)C1 632832832 ZHYKKARRECVVRS-OAHLLOKOSA-N 288.326 1.677 0 50 CDAA C[C@H]1COCCN1C(=O)Cn1ccc2ccccc2c1=O 279054535 BILNLYYBMHUHOR-LBPRGKRZSA-N 286.331 1.249 0 50 CDAA C[C@@]1(C(=O)NCc2ccn(C3CCCC3)n2)CNC(=O)C1 170601255 IQJGPJSIYTWCMV-HNNXBMFYSA-N 290.367 1.141 0 50 CDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccnn1C 279258804 IMJKNFQFSCGERP-JTQLQIEISA-N 289.339 1.300 0 50 CDAA COc1ccc(C=O)cc1OC(=O)N1CCOCC1 35115 NRVUFSWVIXWMBG-UHFFFAOYSA-N 265.265 1.339 0 50 CDAA biogenic,in-vitro COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2ccc[nH]2)c1 282486140 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Cc1cc(C)cc(Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1 13521142 XJIGWDXRGZQUIF-UHFFFAOYSA-N 299.334 1.321 0 50 CDAA CC(=O)NC1CCN(c2ncccc2Cl)CC1 19943316 NOFVKQABVJSNPB-UHFFFAOYSA-N 253.733 1.840 0 50 CDAA O=C(CCCn1cccc1)NCc1nnc2ccccn12 158623573 WUINAUWBFGASNM-UHFFFAOYSA-N 283.335 1.627 0 50 CDAA Cc1cc(N2CCN([C@H]3CCC(C)(C)C3)CC2)nc(=N)[nH]1 1857677569 IHJBQFXGTHIAPQ-ZDUSSCGKSA-N 289.427 1.898 0 50 CDAA O=C(COC1CCCCC1)Nc1ccn([C@H]2CCNC2)n1 780014359 XVUUSQUJCIKZMW-LBPRGKRZSA-N 292.383 1.705 0 50 CDAA CN(C[C@H]1CCC[C@@H]1O)c1cc(NCC2CC2)ncn1 301826357 MYFHKUDCAKPLNG-OLZOCXBDSA-N 276.384 1.896 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O 2392276 ZVAFCKLQJCZGAP-WDEREUQCSA-N 281.308 1.698 0 50 CDAA in-vitro C[C@@H]1C[C@H]1C(=O)N[C@@](C)(COc1ccccc1)C(=O)O 237441495 VVMNCPGHGSTGHP-HCKVZZMMSA-N 277.320 1.681 0 50 CDAA CC[C@@H](C)[C@@H](O)C(=O)NCc1nccn1-c1ccccc1 253392792 FZIJXTONEZEKBU-IUODEOHRSA-N 287.363 1.896 0 50 CDAA O=C(NC1(CO)CCSCC1)[C@@H]1CCC[C@H]2CCCN21 585121959 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CC(C)CCS(=O)(=O)N1CCN2CCC[C@H]2C1 247494068 MICHYVBNVKSVMS-LBPRGKRZSA-N 260.403 1.142 0 50 CDAA OCC1(O)CCN(Cc2cc(-c3cccnc3)no2)CC1 67773248 WFFWENBMPYNCGP-UHFFFAOYSA-N 289.335 1.056 0 50 CDAA Cc1cc(C)n(C[C@H](C)Nc2cc(CCN)nc(C)n2)n1 67947833 VSOBMHYCNHMNTQ-NSHDSACASA-N 288.399 1.600 0 50 CDAA Cc1c([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)cnn1C 249332397 XAPHCLGEBSWALL-FATJJJSSSA-N 290.411 1.826 0 50 CDAA O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)[C@H]1C[C@H]1C(=O)O 249639677 XPWDNTSLHAZWRY-REWJHTLYSA-N 289.331 1.744 0 50 CDAA O=C1CS(=O)(=O)c2cc(Br)ccc21 115985159 QTXHBBJTEIPETO-UHFFFAOYSA-N 261.096 1.419 0 50 CDAA CC1(C)C[C@@H](NC(=O)C2CCNCC2)C(C)(C)O1 236646331 GEECQAWMSQOPAE-LLVKDONJSA-N 254.374 1.448 0 50 CDAA COC(=O)c1cc(Br)cc(C(=O)O)n1 66327889 QCOHUYJZSNJBBC-UHFFFAOYSA-N 260.043 1.329 0 50 CDAA Cc1nccn1CCNC(=O)CC(C)(C)CC(=O)O 312029882 YPCMLBQXIADQDV-UHFFFAOYSA-N 267.329 1.199 0 50 CDAA Cc1cc(F)ccc1NC(=O)CNC(=O)C(C)C 65365198 APBVXIWBPJCCBF-UHFFFAOYSA-N 252.289 1.845 0 50 CDAA CC(=O)N1CCC(N(C)CCN2CCCC[C@H]2C)CC1 65371147 HWWWWDSHDWFZSG-CQSZACIVSA-N 281.444 1.804 0 50 CDAA O=C(c1cccnc1)N1N=C(C(F)F)C[C@]1(O)C(F)F 204515 UEUWYNLTCGJIME-NSHDSACASA-N 291.204 1.502 0 50 CDAA COc1ccnc(N(C)C[C@H]2CCc3nccn3C2)n1 328617459 CUOJMBNSOPBTML-LLVKDONJSA-N 273.340 1.381 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)CC2=CCCCC2)C1 285881370 RWDLDSFOTLVOPF-OLZOCXBDSA-N 290.367 1.984 0 50 CDAA O=C(O)Cn1ccc(NC(=O)c2ccc3[nH]ccc3c2)n1 122936409 KQRMDDGKLSNPPA-UHFFFAOYSA-N 284.275 1.701 0 50 CDAA CC(C)c1cc(-n2c(Cl)cncc2=O)ncn1 408521953 ATJMXYVCZNPRSF-UHFFFAOYSA-N 250.689 1.799 0 50 CDAA C[C@H]1CN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CCN1 155102481 ZMZFMPKMHBFPGQ-GBXSZLQWSA-N 296.374 1.706 0 50 CDAA CC(C)Cc1cc(C(=O)N(C)CCN(C)C)n(C)n1 72430337 TYYPGKDCMKRAGX-UHFFFAOYSA-N 266.389 1.252 0 50 CDAA Cc1c[nH]nc1CN1C[C@@H](C)OC2(CCOCC2)C1 367972077 IEZKCBLATXVQKH-GFCCVEGCSA-N 265.357 1.488 0 50 CDAA O=c1cnnc(O)n1Cc1ccc(Cl)c(Cl)c1 71772386 PEERPCSTYSSRIB-UHFFFAOYSA-N 272.091 1.699 0 50 CDAA 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262189956 SEYLSZWIBCWTMK-MFKMUULPSA-N 293.319 1.318 0 50 CDAA C[C@]1(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)CCCO1 273106745 MRAMAFXCGZCBFX-CQSZACIVSA-N 275.308 1.042 0 50 CDAA Cc1nc(N[C@H]2C[C@H](C(=O)O)C2)cc([C@H]2CCOC2)n1 299801462 YLXIDMZQPMNCQI-DCAQKATOSA-N 277.324 1.564 0 50 CDAA Cc1ccc(C(=O)NCCN=c2cc[nH]cc2C)c(O)n1 825166293 SIPOPQRMUBCBIG-UHFFFAOYSA-N 286.335 1.063 0 50 CDAA O=C(O)C[C@@H]1CN(Cc2nc3ccccc3s2)C[C@H]1O 1875241086 OVTWLBTVNPOHKV-MWLCHTKSSA-N 292.360 1.564 0 50 CDAA CN1CC[C@@](C)(Cn2cnc3cccc(F)c3c2=O)C1 584897168 HAIJTHKWSIFTIZ-OAHLLOKOSA-N 275.327 1.877 0 50 CDAA CC1(C)CCC[C@H](NCCc2nc(N)cc(O)n2)C1 670463561 ZYURYBPJGRDMPU-JTQLQIEISA-N 264.373 1.865 0 50 CDAA Cc1cc(=NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)cc[nH]1 685940070 JVAJYLHBJJGONN-AAEUAGOBSA-N 273.340 1.428 0 50 CDAA Cn1ncc2cc(CN3CCc4c[nH]nc4C3)cnc21 876761610 XVBRJFUJDOXUES-UHFFFAOYSA-N 268.324 1.250 0 50 CDAA O=C(N=c1cc(-c2cccs2)o[nH]1)NC[C@@H](O)C1CC1 1875279079 USZYLDXTSRQBPK-SECBINFHSA-N 293.348 1.717 0 50 CDAA Cc1cc(NC(=O)NC2(c3ncccn3)CCC2)on1 1875270011 BOAZMAVRSBFVJY-UHFFFAOYSA-N 273.296 1.974 0 50 CDAA CCc1nc[nH]c1C(=O)NC[C@@H](N)c1ccc(F)cc1F 1875312031 GLWSIWIUMRTWFO-LLVKDONJSA-N 294.305 1.680 0 50 CDAA C=CC(=O)NC1(COC)CCN(C(=O)OC(C)(C)C)CC1 1875369965 SXRHBQRFHDKUPB-UHFFFAOYSA-N 298.383 1.705 0 50 CDAA Cn1c(=O)n(C)c2cc(NC(=O)C34CC3C4)ccc21 1875362228 WSMSBRGUHOLJPX-UHFFFAOYSA-N 257.293 1.226 0 50 CDAA CC(C)C[C@@H]1CN(C(=O)/C=C/c2cnc(N)nc2)CCO1 952964040 MNRVZGQCWMNXEF-ITDFMYJTSA-N 290.367 1.346 0 50 CDAA CCCCN(Cc1cccnc1)C(=O)[C@@H]1C=CCN1 952977982 ALOMIPPWPLVUCP-AWEZNQCLSA-N 259.353 1.738 0 50 CDAA Cc1nn(C)cc1NC(=O)C[C@H]1NC(=O)c2ccccc21 896606928 UGAPBDFXAOOTBT-GFCCVEGCSA-N 284.319 1.542 0 50 CDAA O=C(NCc1ccc(O)nc1)[C@H]1NCCOc2ccccc21 1775534924 JXRFZRZFAUPRJB-HNNXBMFYSA-N 299.330 1.127 0 50 CDAA N[C@]12CC[C@H]1CN(C(=O)c1cccc3c1CCN3)C2 1775961852 FHOAPUNRBKFEJF-BONVTDFDSA-N 257.337 1.218 0 50 CDAA Oc1nncc(N2CC[C@@H](Nc3cnccn3)C2)c1Cl 897433371 WQOYRVKDQRDJJQ-MRVPVSSYSA-N 292.730 1.316 0 50 CDAA CC(C)(O)[C@@H](O)CN1CCOc2cccc(F)c2C1 1337691370 HMEGSXFMIGOZLN-ZDUSSCGKSA-N 269.316 1.152 0 50 CDAA CC(C)[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cnsn1 1363678330 ROBCTSJXZKRXAO-DGCLKSJQSA-N 294.424 1.873 0 50 CDAA COc1ccccc1CN1C(=O)N[C@](C)(C2CC2)C1=O 271170457 CXFPWMRBWJPWBZ-OAHLLOKOSA-N 274.320 1.916 0 50 CDAA CC1(C)C[C@@H]1C(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 186208884 CNFKBTJVHQBGSU-GFCCVEGCSA-N 288.395 1.982 0 50 CDAA CCc1ocnc1C(=O)N1CC[C@H](OCCOC)C1 275470959 KKQGEUPMEOIWCD-JTQLQIEISA-N 268.313 1.115 0 50 CDAA C[C@H](O)[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccoc2)C1 583974349 WNHCVOVGXMFNPQ-WDEREUQCSA-N 289.335 1.903 0 50 CDAA O=C(O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C[C@@]23C=C[C@H]1O3 169676167 FFNNGZCWWSPFHR-BLTAXRJOSA-N 289.262 1.197 0 50 CDAA in-vitro C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc32)C[C@]1(C)C(=O)O 1599915782 TXQCGMDNSUUUCV-WNMQOVRZSA-N 273.332 1.896 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@@H]2[C@@H]1C(=O)O 95644230 KMDJCCBSGFKRFR-UJNFCWOMSA-N 269.297 1.286 0 50 CDAA in-vitro O=c1nc(N2CCC[C@H]2Cc2ccccc2)[nH]c2[nH]ncc12 170598807 CDQNAQNHPFGALI-LBPRGKRZSA-N 295.346 1.858 0 50 CDAA CN1C(=O)CC[C@@H]1C(=O)Nc1cccc(-c2cnco2)c1 187300102 DYDBOMWNUFUBEH-GFCCVEGCSA-N 285.303 1.901 0 50 CDAA NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCc2ccsc2)C1 172429103 UXBBIIHXIHKGEM-VXGBXAGGSA-N 280.393 1.841 0 50 CDAA COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CNCCO1 187656361 OHOPGQOATITGTK-DZGCQCFKSA-N 290.363 1.347 0 50 CDAA CCC1(CNC(=O)[C@@H](C)c2cncnc2)CCOCC1 553667997 GGDADPGSFXKECQ-LBPRGKRZSA-N 277.368 1.903 0 50 CDAA CNC(=O)[C@]1(COC)CCCN1Cc1cc(F)ccc1F 643765012 JYQHBOIGKOEEAJ-OAHLLOKOSA-N 298.333 1.692 0 50 CDAA Cc1ccccc1-c1nnn(C[C@@H](O)CC(F)(F)F)n1 193399404 RZBOTCSPVJXMIE-VIFPVBQESA-N 286.257 1.962 0 50 CDAA COC(=O)CC1(NS(=O)(=O)CC(C)(C)C)CCCC1 195474771 AOIUKTJIUXEZBS-UHFFFAOYSA-N 291.413 1.828 0 50 CDAA c1nc2[nH][nH]cc-2c(=NC[C@H]2CCC3(CCCC3)O2)n1 653475021 MBCRSBWNKWQFPN-SNVBAGLBSA-N 273.340 1.630 0 50 CDAA CS(=O)(=O)C1CN(C(=O)Nc2cccc(F)c2F)C1 567739754 AVLAGUZFPLDYNQ-UHFFFAOYSA-N 290.291 1.226 0 50 CDAA C[C@@H]1C[C@H]1N1C[C@H](N=c2ccnc(C3CC3)[nH]2)CC1=O 572453124 IJYGJBWQONQPFP-YUSALJHKSA-N 272.352 1.197 0 50 CDAA Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)nc(N)n1 72478115 PYWVZTKPCXUONH-SSDOTTSWSA-N 262.235 1.135 0 50 CDAA CC(C)c1cc(C(=O)Nc2nccn2C)nc2ncnn12 1506413607 JTNKGMWKNSLDKE-UHFFFAOYSA-N 285.311 1.234 0 50 CDAA Cc1cc(C(=O)Nc2c3c(nn2C)CSC3)nn1C 1506427209 XIEWFHRKJSBVQL-UHFFFAOYSA-N 277.353 1.461 0 50 CDAA CCc1nccn1C[C@H](C)NCc1nnc2ccccn12 1506420145 VZACJDMJCCKCFS-LBPRGKRZSA-N 284.367 1.667 0 50 CDAA CCC[C@@H](C)NS(=O)(=O)C[C@H]1C[C@@H]1C(=O)OCC 1857527193 ZSDXSFQJIIVJFK-MXWKQRLJSA-N 277.386 1.294 0 50 CDAA Cc1cccc(C(=O)N2CCC[C@H]2C2(O)CC2)c1O 1800410646 AAEVYYRIWJEDKP-LBPRGKRZSA-N 261.321 1.830 0 50 CDAA Cc1o[nH]c(=N)c1S(=O)(=O)NC1CCC(F)(F)CC1 408203890 FHIIZRLJLJFJHA-UHFFFAOYSA-N 295.311 1.252 0 50 CDAA CCOC(=O)NCS(=O)(=O)c1ccc(C)cc1 2061465 UTLABMWLBRDNAM-UHFFFAOYSA-N 257.311 1.472 0 50 CDAA in-vitro CC(C)CCC1CCN(C(=O)[C@H]2C[C@H](O)CN2)CC1 225489887 BPXRFISPDIQYDR-UONOGXRCSA-N 268.401 1.384 0 50 CDAA C[C@H](CNC(=O)C1(N)CC1)Oc1ccccc1F 237378427 ACOKDYRIIXCAMM-SECBINFHSA-N 252.289 1.201 0 50 CDAA Cc1cc(C)c(C(=O)NC[C@H]2CCNCC2(F)F)o1 334582949 QIXBCAUTMCGDCL-SNVBAGLBSA-N 272.295 1.871 0 50 CDAA Cc1cc(NC(=O)[C@H]2NCCOc3ccccc32)nn1C 1615553282 IHLRVSFPOXBNAX-AWEZNQCLSA-N 286.335 1.390 0 50 CDAA CC(C)(C)C(=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615738463 ZCDSDEQKFRPUMP-STQMWFEESA-N 262.353 1.801 0 50 CDAA CCC(=O)N1CCC2(CC1)CNCc1ccccc1O2 1616039036 SQUHOOFJEYKSDB-UHFFFAOYSA-N 274.364 1.940 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(N)CC2)C1 26896585 UMWHGGWSANLOKM-GFCCVEGCSA-N 269.389 1.419 0 50 CDAA in-vitro Cc1ccc(Cl)c(S(=O)(=O)N(C)CCC(=O)O)c1 262437399 PFUYQFIODAHVQX-UHFFFAOYSA-N 291.756 1.744 0 50 CDAA CCOC(=O)N1CC[C@H](NCc2conc2CC)C1 495795326 XYHHKLPOMMHHTH-NSHDSACASA-N 267.329 1.557 0 50 CDAA CC[C@@H](Nc1ncc(F)c(OC)n1)c1ccnn1C 1772705732 ZELPQVVLYUJLHL-SECBINFHSA-N 265.292 1.921 0 50 CDAA CN1C[C@@H](CN2CCc3sccc3C2)CCC1=O 1775979672 XWGPCBADFJUHQV-NSHDSACASA-N 264.394 1.975 0 50 CDAA O=C(COc1ccc2c(c1)OCO2)Nc1ccncc1 16527068 CWOWCGJXUIJNGO-UHFFFAOYSA-N 272.260 1.828 0 50 CDAA CCOc1cccc(CNCCN2CCOCC2)c1 19871909 DBVGFUXWZIPTOJ-UHFFFAOYSA-N 264.369 1.507 0 50 CDAA O[C@@H]1CNC[C@@H]1n1ccnc1-c1ccc2ncccc2c1 1857693709 IVZXUFZKWTWKFZ-LSDHHAIUSA-N 280.331 1.604 0 50 CDAA O=C([C@H]1CNCCOC1)N1CC=C(c2ccccc2)CC1 1857694469 PJNZFCRIYKLPDH-INIZCTEOSA-N 286.375 1.538 0 50 CDAA Cc1cnc(Cn2ccnc2-c2cnn3cccnc23)cn1 1857707800 ZWAMOSDYDMZVTL-UHFFFAOYSA-N 291.318 1.740 0 50 CDAA O=C1CC[C@H]2CN(c3nccc4occc34)CC[C@@H]2N1 664343242 LJUIDUQDNADZHI-JQWIXIFHSA-N 271.320 1.933 0 50 CDAA O=C1CC[C@H](c2noc(-c3cccc4nc(O)[nH]c34)n2)CN1 848707152 DCHSNPMTNUVPAD-ZETCQYMHSA-N 299.290 1.312 0 50 CDAA CN1CCN(C[C@H](O)COC[C@H]2C[C@H]3CC[C@H]2C3)CC1 105606610 AICFCFZWNLCFSD-JONQDZQNSA-N 282.428 1.048 0 50 CDAA C[C@@H](CC1CCCC1)C(=O)NCCn1cnccc1=O 521396401 USILMNRGNFZWCL-LBPRGKRZSA-N 277.368 1.576 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)[C@H]1CCCOC1 328630873 QJAXCYWXPWKZOD-OLZOCXBDSA-N 277.368 1.331 0 50 CDAA Cc1nn(C)cc1S(=O)(=O)N1CCc2ccccc2C1 6726407 GEHAEIXNZBEXAA-UHFFFAOYSA-N 291.376 1.476 0 50 CDAA O=C([C@@H]1CCc2c[nH]nc2C1)N1CCC(c2cnc[nH]2)CC1 333004066 DJKLWQXLYDWZAF-GFCCVEGCSA-N 299.378 1.644 0 50 CDAA O=C(O)CCN(C(=O)[C@H]1CC=CCC1)C1CCOCC1 238067388 WIFMTPGBZBOEHM-LBPRGKRZSA-N 281.352 1.825 0 50 CDAA CCN1CC[C@H](CNC(=O)N=c2ccc(C3CC3)n[nH]2)C1 448158594 VHWIGWLUHLAEFS-LLVKDONJSA-N 289.383 1.239 0 50 CDAA COc1ccc2cc(C(=O)NC3CCNCC3)cnc2c1 911630252 SEYXPBWCIITVEP-UHFFFAOYSA-N 285.347 1.725 0 50 CDAA O=C(NO[C@H]1CCCCO1)[C@H]1CCCn2nccc21 818738693 IPXQOLIZFRPEAZ-JQWIXIFHSA-N 265.313 1.335 0 50 CDAA CCOc1cccc(CC(=O)N[C@H]2COC(C)(C)C2)n1 855172032 HIPOLIGWGDKGHW-GFCCVEGCSA-N 278.352 1.707 0 50 CDAA C=CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 1120553417 YXAIRCYSKYJFIM-CYBMUJFWSA-N 258.321 1.480 0 50 CDAA CN(C[C@H]1CCCCO1)C(=O)c1ccn(C)c(=O)c1 226564648 CEFSGSZVSSUJBH-GFCCVEGCSA-N 264.325 1.026 0 50 CDAA N[C@@H]1CCCN(C(=O)CCOc2ccccc2F)C1 157936310 RDTYFPSQHGQUHN-LLVKDONJSA-N 266.316 1.544 0 50 CDAA Oc1cccc(CN2CCN([C@@H]3CCOC3)CC2)c1 271359528 NAGHNBKKEKZMRT-CQSZACIVSA-N 262.353 1.299 0 50 CDAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1(CO)CCOCC1 300416126 KIKKGTSALYUDCU-RWMBFGLXSA-N 267.369 1.470 0 50 CDAA CCn1nncc1CNCc1cc(F)cc(F)c1 417855348 KYIKIXHCBXOPNN-UHFFFAOYSA-N 252.268 1.866 0 50 CDAA COc1ccc(O)c(C(=O)N2CCOCC23CC3)c1 670008895 VVNRGBAJCWKLAJ-UHFFFAOYSA-N 263.293 1.406 0 50 CDAA COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 107108 XZECNVJPYDPBAM-ZDUSSCGKSA-N 260.293 1.388 0 50 CDAA biogenic,in-vitro O=C(C[C@H]1SCCNC1=O)Nc1cccc(Cl)c1 2219042 NOVSTNSQVOXPFL-SNVBAGLBSA-N 284.768 1.900 0 50 CDAA Oc1cc2ccc(-c3cnn([C@H]4CCCCO4)n3)cn2n1 2325798861 FPCLOMWWIHGILF-CQSZACIVSA-N 285.307 1.998 0 50 CDAA Cc1cc(CCC(=O)NCC[C@@H]2CC[C@H](N)C2)no1 2325842909 MRLYMBFAYWESRQ-RYUDHWBXSA-N 265.357 1.549 0 50 CDAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(O)c1 194271 ZWYQUQOTFJTIRZ-RYUDHWBXSA-N 261.277 1.998 0 50 CDAA in-vitro CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 382523 NXYVYEAJHFSFSQ-UHFFFAOYSA-N 270.137 1.910 0 50 CDAA N[C@@H](CCC(=O)O)C(=O)Nc1ccc2ccccc2c1 1736881 KRHKZHQADOKBFO-ZDUSSCGKSA-N 272.304 1.970 0 50 CDAA in-vitro C[C@@H]1C(=O)N(C2CC2)Cc2nnc(-c3cccnc3)n21 2356145022 XKTDTNISHZXFED-SECBINFHSA-N 269.308 1.406 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)c2ccnc3c2ncn3C)CC1 2356147318 QXJVZYMYAPWONM-XYPYZODXSA-N 288.351 1.656 0 50 CDAA COc1ccc(CCNC(=O)C(=O)NCC(C)C)cc1 2860327 NRFKNYJZHARFOK-UHFFFAOYSA-N 278.352 1.126 0 50 CDAA Cc1cc(NC(=O)CNC(=O)C2CCCCC2)no1 6559071 IQDDBRHASMDZGO-UHFFFAOYSA-N 265.313 1.618 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCC2)cc1F 6743666 JLKOUGWTAHNVHQ-UHFFFAOYSA-N 259.302 1.619 0 50 CDAA O=C(c1ccc(N2CCOCC2)cc1)N1CCCC1 7504750 VSJRNOYCIXNGCX-UHFFFAOYSA-N 260.337 1.759 0 50 CDAA CN(CCn1cccn1)C(=O)N[C@H](CN)C1CCCC1 418585449 DEWGAGJYVQRMNT-CYBMUJFWSA-N 279.388 1.042 0 50 CDAA CO[C@H]1C[C@@H](C(=O)NCCOCc2ccccc2)N(C)C1 345457267 XQPRRKAXMYPOPB-GJZGRUSLSA-N 292.379 1.039 0 50 CDAA OCc1ccccc1-n1ccc(-c2cnccn2)n1 65526365 WQIMEAGDKZMRJB-UHFFFAOYSA-N 252.277 1.822 0 50 CDAA CC(=O)N[C@@]12C[C@H]3C[C@@H](C1)C[C@](CC(=O)O)(C3)C2 100247712 WGQQQEFRSGVMSR-GBVPACDZSA-N 251.326 1.936 0 50 CDAA CC(C)OCC(=O)Nc1ccccc1CN1CCOCC1 64301078 YTASHDMMKXVZTD-UHFFFAOYSA-N 292.379 1.882 0 50 CDAA C[C@H](OCC1CC1)C(=O)N1CCC[C@@H](C(=O)O)C1 136146135 ZHQVBZDWRAEBKD-GXSJLCMTSA-N 255.314 1.125 0 50 CDAA COCCn1cnc2sc3c(c2c1=O)CCCC3 24239774 ZLKCVRUBACCXRZ-UHFFFAOYSA-N 264.350 1.983 0 50 CDAA CCC/C=C/CN1CCCN(C(=O)COC)CC1 67757027 PPZSRKFLPPMLKX-AATRIKPKSA-N 254.374 1.523 0 50 CDAA CCOC(=O)c1c(C)nc2ncnn2c1/C=C/N(C)C 66324467 WMVHXDOGEFNCKK-VOTSOKGWSA-N 275.312 1.142 0 50 CDAA Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@@H](C)OC3=O)C2)nn1 229351660 XGCUWEVGAAINFE-FRRDWIJNSA-N 290.367 1.047 0 50 CDAA COc1cc(F)c(-c2nccn2CCO)c(F)c1 67673163 MUOSCCBNJMJPQR-UHFFFAOYSA-N 254.236 1.829 0 50 CDAA Cc1noc([C@H](C)NC(=O)CCc2c(C)noc2C)n1 332298429 JAQUTUYBDPHLAW-QMMMGPOBSA-N 278.312 1.793 0 50 CDAA CN(C(=O)Cc1ccn(C)n1)c1nc2ccccc2n1C 120190963 PFCBPFFJKFNHEG-UHFFFAOYSA-N 283.335 1.512 0 50 CDAA Cc1nc2cc(C(=O)N(C)[C@@H]3CCN=C3O)ccc2o1 329971184 YGWDPGCNPALFTO-LLVKDONJSA-N 273.292 1.937 0 50 CDAA C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)[C@H]2CCCC[C@@H]12 333485696 GELBDXDDBVOLMD-RFGFWPKPSA-N 281.400 1.195 0 50 CDAA N#CN(CCN1CCCS1(=O)=O)c1ccc(F)cc1 331279788 FCHOIDDFRFPAJY-UHFFFAOYSA-N 283.328 1.149 0 50 CDAA C[C@H]1CC[C@@H](C(=O)NCCc2nnc(S)n2C2CC2)O1 153656067 JJXJUBFUIYDIAR-WPRPVWTQSA-N 296.396 1.128 0 50 CDAA CC(C)n1cc(C(=O)NCCNc2cccnc2)cn1 77298259 XSEGUQSLFOTKIR-UHFFFAOYSA-N 273.340 1.701 0 50 CDAA Cc1ccc(N(C)C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)nc1 366042146 QSRCMKJYURRQPV-MBNYWOFBSA-N 276.336 1.404 0 50 CDAA O=C(c1cc(C2CC2)no1)N1CCN[C@@H](c2ccncc2)C1 367086756 VIBXURCQTAPHKG-CQSZACIVSA-N 298.346 1.734 0 50 CDAA C[C@H]1CCCN(C(=O)/C=C/c2ccccn2)[C@H]1CN 156685756 PXLBDFBYEAZJHP-FCSZMHKNSA-N 259.353 1.681 0 50 CDAA Cc1ccccc1-n1cc(C(=O)N2CCC[C@H]2C(=O)O)cn1 237731424 SRUPSYXOBIHZSA-AWEZNQCLSA-N 299.330 1.870 0 50 CDAA C[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2)[C@@H]1CN 156972185 LEGIVNPTWOVCII-GOEBONIOSA-N 289.423 1.704 0 50 CDAA CC[C@@H](C(N)=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 246821555 SPIFXGHYVOEYNT-JSGCOSHPSA-N 264.344 1.954 0 50 CDAA CN1CN(C(=O)Nc2ccccc2Cl)CC1=O 334976538 YFLHXVWBSWPOME-UHFFFAOYSA-N 253.689 1.603 0 50 CDAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)C1CCCC1 238099972 KKQISDVODVOINE-GFCCVEGCSA-N 269.341 1.659 0 50 CDAA NC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nc1 32593135 XDBRGWZAMBPVFM-UHFFFAOYSA-N 293.330 1.978 0 50 CDAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1nonc1C 77304000 MSMIGMXZRAKZJX-JTQLQIEISA-N 281.312 1.326 0 50 CDAA O=C1[C@H](NCC2=CCCOC2)CCN1c1ccccc1F 127250768 PNFGNWSKELODDP-CQSZACIVSA-N 290.338 1.867 0 50 CDAA CCN(C(=O)/C=C/CN(C)C)[C@@H]1CCOC(C)(C)C1 493170293 XNNYLGVYOWGMIQ-SBDDDAINSA-N 268.401 1.910 0 50 CDAA CCc1c(C)cc(C(=O)NCc2ccon2)c(=O)n1C 215707228 SZMZCTBNLVYGAC-UHFFFAOYSA-N 275.308 1.174 0 50 CDAA C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@@](C)(O)C(=O)O 263385521 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Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(N)=O 4502518 SRUFYJJRGSIYPZ-UHFFFAOYSA-N 296.392 1.515 0 50 CDAA COCCNC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4505050 CXTWRHSZELTWLM-GFCCVEGCSA-N 282.727 1.596 0 50 CDAA Cc1cc(CN[C@@H]2CCC[C@H]2OC(F)F)n(C)n1 418139588 JZCOMWYJGXZVHW-GHMZBOCLSA-N 259.300 1.978 0 50 CDAA Cn1ccnc1SCC(=O)Nc1cccc(C(=O)O)c1 8025903 CULBPTFMVCRTBL-UHFFFAOYSA-N 291.332 1.849 0 50 CDAA C[C@H](SCCN1C(=O)NC2(CCCC2)C1=O)[C@@H](C)O 172951434 JBDGJWUSJAPXII-ZJUUUORDSA-N 286.397 1.354 0 50 CDAA COCCNC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1 115779844 HVQNOLCYMMMXBL-HNNXBMFYSA-N 291.395 1.943 0 50 CDAA CCc1nc2[nH]c(-c3cccc(OC)c3)cc(=O)n2n1 101400079 ATXQAZUHKYSFPR-UHFFFAOYSA-N 270.292 1.656 0 50 CDAA O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC1CCCC1 101425667 FKWSGVQHKYZYDC-STQMWFEESA-N 290.363 1.387 0 50 CDAA Cc1noc(C)c1S(=O)(=O)NCc1nc(C2CC2)no1 56121226 RIUZLPIIQZHKEN-UHFFFAOYSA-N 298.324 1.030 0 50 CDAA CC(C)(C(N)=O)c1nc(-c2ccc3c(c2)CCC3)no1 350437774 NEBIOYOGJZEDIW-UHFFFAOYSA-N 271.320 1.988 0 50 CDAA 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276479868 ZLDHPPIIYKZEMU-VIFPVBQESA-N 291.380 1.289 0 50 CDAA CC(=O)N(C[C@@H]1CCCN1Cc1nccc(N)n1)C1CC1 276529386 QXWHXEDEZZBTMC-ZDUSSCGKSA-N 289.383 1.034 0 50 CDAA CN1CCN(C(=O)[C@@H]2CC=CCC2)C[C@@H]1c1nccn1C 276709918 PPYSCJJAKMOPRV-ZIAGYGMSSA-N 288.395 1.592 0 50 CDAA Cc1noc([C@H]2CN(C/C=C/C3CC3)CCN2C)n1 583651155 IGKSRPQMEPBBRX-ITDFMYJTSA-N 262.357 1.633 0 50 CDAA c1cc(CNC[C@H]2COC3(CCOCC3)O2)cs1 170067353 YFHIHOGFXHKIEG-LBPRGKRZSA-N 269.366 1.760 0 50 CDAA CCN(CC)CCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 170607466 BRIYFEAZGSDLHR-KGLIPLIRSA-N 267.417 1.461 0 50 CDAA Cc1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1)CC2 171327899 UHLAMZULUUIDQV-LBPRGKRZSA-N 286.335 1.097 0 50 CDAA C[C@@H]1C(=O)N(C)CCN1Cc1ccc2ccccc2n1 187005633 LOEKXPXBCKQROV-GFCCVEGCSA-N 269.348 1.897 0 50 CDAA CCCCCOCC(=O)N1C[C@]2(C)CN(C)C[C@]2(C)C1 585128846 PCDJFVFWJZGOFK-IYBDPMFKSA-N 282.428 1.993 0 50 CDAA CON(C)CCNCc1c(C)nc2sc(C)cn12 585118339 LBDKGXBYJXFJHO-UHFFFAOYSA-N 268.386 1.595 0 50 CDAA O=C(Cc1c[nH]c2ccccc12)OCCc1cnn[nH]1 735131580 ZZKZXTRFGFZHRP-UHFFFAOYSA-N 270.292 1.614 0 50 CDAA COC(=O)C1(OC(=O)c2cnn(CC(C)C)c2C)CC1 225855740 PLHJUYDTQPGIOA-UHFFFAOYSA-N 280.324 1.710 0 50 CDAA O=C(COC1CCNCC1)N[C@@H]1C[C@H]1c1ccccc1 111797108 ZJLRJVUUOZSKCQ-LSDHHAIUSA-N 274.364 1.427 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(Cc2cccc(C)c2)CC1 191425663 SAKGYDAFBLTSSC-HNNXBMFYSA-N 276.380 1.976 0 50 CDAA Cc1ccc2c(CCNC(=O)NC[C@@H](C)O)cn(C)c2c1 192560649 XREBULYHICCZEL-GFCCVEGCSA-N 289.379 1.709 0 50 CDAA CCCCOCC(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1529189639 SKWOCCKAOGCUDY-HUUCEWRRSA-N 292.379 1.260 0 50 CDAA NC(=O)COc1ccc(Cl)cc1Br 577378 QSZOHTMLLFZIEX-UHFFFAOYSA-N 264.506 1.967 0 50 CDAA in-vitro CNCCN1CCN(c2cccc(Cl)c2)C1=O 215103514 OVQHLJDCYLEUEZ-UHFFFAOYSA-N 253.733 1.801 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccncc1Cl)C2 1704327355 CRVZQUHZFVMHTI-QWRGUYRKSA-N 295.770 1.138 0 50 CDAA COCC(=O)N[C@](C)(CO)c1cc(Cl)cc(Cl)c1 408523696 UVODAYQAGMLKGJ-GFCCVEGCSA-N 292.162 1.964 0 50 CDAA CCN(C)[C@@H](C)CCNc1nccnc1N(C)C 1704335871 HRDWVJQBFYMOKX-NSHDSACASA-N 251.378 1.685 0 50 CDAA Cc1ccn(-c2cccc(C(=O)NCCC(=O)O)c2)n1 1600594092 UXZUZNBNAXUPMV-UHFFFAOYSA-N 273.292 1.385 0 50 CDAA CC(=O)N1CC[C@H](C(=O)Nc2cccc(F)c2O)C1 530006709 UAUMMMIOUHCQOH-VIFPVBQESA-N 266.272 1.338 0 50 CDAA Cc1cc(CN2CC(S(C)(=O)=O)C2)ccc1F 334936380 PDLWTHJRGNKXMO-UHFFFAOYSA-N 257.330 1.363 0 50 CDAA COC(=O)/C=C/c1cc(Br)cnc1N 14400917 WJNCXHOWXDOKDL-NSCUHMNNSA-N 257.087 1.613 0 50 CDAA in-vitro Cc1ccccc1OCCCN1CCC(O)(CCN)CC1 1616036390 LJNUBVKYGQBJMV-UHFFFAOYSA-N 292.423 1.940 0 50 CDAA N[C@H]1C[C@H](C(=O)NCc2ccc(F)c(Cl)c2)C[C@@H]1O 1857732332 MBNBJFFSPOGYAY-UWJYBYFXSA-N 286.734 1.194 0 50 CDAA CCCc1cnc(C)nc1N1C[C@@H]2CCCN2C(=O)[C@H]1C 1772711654 BFQQXRVNZOHNHI-RISCZKNCSA-N 288.395 1.937 0 50 CDAA CCN(C)Cc1nnc2n1-c1ccccc1COC2 1772815969 FFINWFJXGJUVDX-UHFFFAOYSA-N 258.325 1.749 0 50 CDAA CCN1CCN(C(=O)c2cccc(C)c2C)CCC1=O 12163735 HLSRJPZETXBALS-UHFFFAOYSA-N 274.364 1.998 0 50 CDAA CCCCOC(=O)[C@@H](C)Nc1nnc(=S)[nH]c1O 5072896 BCYKHYUBEZWCKP-ZCFIWIBFSA-N 272.330 1.383 0 50 CDAA O=C1C[C@@H](NCC2CC2)CN1CCc1ccc(F)cc1 11816799 UOEFWZZVTXYLSA-OAHLLOKOSA-N 276.355 1.969 0 50 CDAA Cc1n[nH]c([C@H](C)NC(=O)[C@H]2CCc3ccccc3O2)n1 19223359 DNCMKXSGWOSRFU-TVQRCGJNSA-N 286.335 1.684 0 50 CDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1ccccc1C 19972770 KUMPBVLTAFKKSS-UHFFFAOYSA-N 287.315 1.796 0 50 CDAA COc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169364082 UDBOPXKFAIRNQR-LPWJVIDDSA-N 289.287 1.288 0 50 CDAA N=c1cc(-c2nccn2-c2cccc(CC(N)=O)c2)cc[nH]1 1857680962 SQUUOOJGJSNCNH-UHFFFAOYSA-N 293.330 1.375 0 50 CDAA C[C@H]1CN(C(=O)c2cc[nH]c2)CCN1c1ccc(F)cn1 1857696562 GULVGUFVPDULQU-NSHDSACASA-N 288.326 1.900 0 50 CDAA CC(C)[C@H]1OCCC[C@H]1C(=O)NCc1nncn1C(C)C 408474619 HGJHVVLQSWEKCT-TZMCWYRMSA-N 294.399 1.926 0 50 CDAA CN(CC(=N)O)C[C@H]1CN(C[C@@H]2CC=CCC2)CCO1 328631329 KIJGIHYZBDVZBZ-KGLIPLIRSA-N 281.400 1.511 0 50 CDAA C[C@H]1CN(CCCNCc2cncn2C)C[C@H](C)O1 237675259 MVXXACROOIRUFX-STQMWFEESA-N 266.389 1.009 0 50 CDAA CC(C)[C@](C)(CNC(=O)[C@H]1C[C@H]1C)NC(=O)[C@H]1C[C@@H]1C 241701774 QKZVSJNCMPRJID-UWHVMBRKSA-N 280.412 1.946 0 50 CDAA O=C(CC1CCOCC1)N[C@@H](Cc1ccncc1)C(=O)O 655599143 KOTZYYQEHZZDDX-ZDUSSCGKSA-N 292.335 1.010 0 50 CDAA CC(C)C1(O)CN([C@H](C(=O)NC2CC2)c2ccccc2)C1 773893345 MGGWCRYIUOCRPL-HNNXBMFYSA-N 288.391 1.709 0 50 CDAA Cc1c[nH]cc(Br)c1=NC(=O)[C@H]1CCCO1 585125328 NXQKFCJSWGGVDS-SECBINFHSA-N 285.141 1.692 0 50 CDAA O=C(NCC1CC1)[C@H]1CCCN(C(=O)C2CSC2)C1 585121725 XLCCTXRRHZVHLL-NSHDSACASA-N 282.409 1.114 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2ccc(C)cn2)C[C@@H]1O 1704311405 IBIWQFLDCQERPP-WFASDCNBSA-N 278.352 1.832 0 50 CDAA O=C(O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 910005252 CBLGNQBCYAWEQW-MKODESBFSA-N 289.335 1.129 0 50 CDAA Cc1nc(C(=O)N2CCc3occc3[C@H]2C(=O)O)co1 910206713 WVVBDVPJHWLESJ-NSHDSACASA-N 276.248 1.400 0 50 CDAA COc1nn(C)cc1CNC(=O)N1CCc2ccccc21 929169118 UERHGLAPGMXHSS-UHFFFAOYSA-N 286.335 1.701 0 50 CDAA Cn1nnc(NC(=O)N2CCC[C@@H]2c2ccsc2)n1 932274495 GMLKWZGJMDJEFY-SECBINFHSA-N 278.341 1.641 0 50 CDAA O=S(=O)(/N=c1\[nH]cccc1O)c1ccc(Cl)cc1 63724 QJXKDAXITMOZKI-UHFFFAOYSA-N 284.724 1.663 0 50 CDAA COc1ccc(N[C@H]2CC(=O)N(C(C)C)C2=O)cc1 101128764 HVSXPSAJGMIJDL-LBPRGKRZSA-N 262.309 1.643 0 50 CDAA C[C@H]1OCC[C@@]1(O)CNCc1cnn(C(C)(C)C)c1 227966650 VQUXOHCFKYKJDC-BXUZGUMPSA-N 267.373 1.268 0 50 CDAA O=C(c1cccnc1)N1CCN(CCCF)CC1 121489357 JYMXONLRSAYFOT-UHFFFAOYSA-N 251.305 1.199 0 50 CDAA CCOC[C@H](NCc1nnc2n1CCCC2)C(C)C 233781421 HJPBZUMYQQUWSG-LBPRGKRZSA-N 266.389 1.765 0 50 CDAA C[C@](O)(CNc1cccc(C(=O)O)n1)C(F)(F)F 263436157 VIORKAQFZSIKTG-VIFPVBQESA-N 264.203 1.505 0 50 CDAA Cc1nnc(CN2CCC[C@@H](N3CCCC3=O)C2)s1 71775807 ZBZCBVZNSRNVAL-LLVKDONJSA-N 280.397 1.433 0 50 CDAA O=C1CN(Cc2ccc3c[nH]nc3c2)CCN1C1CC1 328650325 JCTPARPZRYGNSI-UHFFFAOYSA-N 270.336 1.370 0 50 CDAA O=C(c1ccnc(O)c1)N1CCC[C@H]2COCC[C@H]21 328885991 ZKDCTEIBEBMTMO-NWDGAFQWSA-N 262.309 1.428 0 50 CDAA CO[C@H]1C[C@@H](CO)N(Cc2nccn2C(C)C)C1 332738003 XKWAJZYTCBKYMO-RYUDHWBXSA-N 253.346 1.046 0 50 CDAA CCN=c1[nH]c(C(=O)N2CC[C@H]([C@H]3CCOC3)C2)cs1 333141024 YRACHGCLOLNWKY-QWRGUYRKSA-N 295.408 1.495 0 50 CDAA Cc1nc(CN2C(=O)CC3(CCCC3)CC2=O)n(C)n1 95523426 QOMFRQYRPJVTCB-UHFFFAOYSA-N 276.340 1.333 0 50 CDAA CN(CC(=O)NC1CCCCCC1)Cc1ncon1 670460440 JZSLITNEXVAOSS-UHFFFAOYSA-N 266.345 1.340 0 50 CDAA N=c1cc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc[nH]1 377094510 VYRKCOMPUSORAA-GFCCVEGCSA-N 289.301 1.773 0 50 CDAA NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)cs1 6668829 KFQYYLFOXQHXAO-UHFFFAOYSA-N 288.394 1.458 0 50 CDAA c1cc(-c2cnn3c2CCCC3)nc(N[C@H]2CCNC2)n1 2325796779 KUOUTBFQROGKLG-NSHDSACASA-N 284.367 1.450 0 50 CDAA COC(=O)[C@H]1CN(C(=O)c2ccccn2)Cc2ccccc21 1438194708 UXZUIXWHASGPCN-AWEZNQCLSA-N 296.326 1.994 0 50 CDAA Cc1nc(N(C)Cc2ncccn2)c2cnn(C)c2n1 895063232 SMGVDRQIDZKLFZ-UHFFFAOYSA-N 269.312 1.098 0 50 CDAA Cc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1 141504 IAMZJEPIWQZBPO-SNVBAGLBSA-N 277.305 1.625 0 50 CDAA Cc1ccccc1-n1cc2c(=O)n(C)c(=O)n(C)c2c1 189001 SQARQPIFCJKNBZ-UHFFFAOYSA-N 269.304 1.336 0 50 CDAA CC[C@@H](C(=O)N1CCC(C(N)=O)CC1)c1ccccc1 311058 IEIILMNVKRKFOV-CQSZACIVSA-N 274.364 1.904 0 50 CDAA CSc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 619820 NJATVSQWFPRFIH-UHFFFAOYSA-N 283.401 1.641 0 50 CDAA O=C(NCCCNCc1ccccc1)c1cccnc1 1888785 ZSPOJVVBIKEBIU-UHFFFAOYSA-N 269.348 1.991 0 50 CDAA O=C1N([C@H]2CC[C@H](O)CC2)CCC[C@@]12CCCN2 2356146952 BHJOMOHKOWOMHE-OBJOEFQTSA-N 252.358 1.035 0 50 CDAA O=C(Cc1ccc(F)cc1)N1CCC[C@@]12CCCNC2=O 2356148674 MCXSGBCCAZPCRK-MRXNPFEDSA-N 290.338 1.639 0 50 CDAA C=COCCNC(=O)C(=O)Nc1cccc(F)c1 2810449 JRAYAUKTCVDQHW-UHFFFAOYSA-N 252.245 1.041 0 50 CDAA Nc1ccccc1NC(=O)C(=O)Nc1ccccc1N 3080999 QEGHMIZVTMBPCV-UHFFFAOYSA-N 270.292 1.428 0 50 CDAA CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5 3812983 BQJCRHHNABKAKU-KBQPJGBKSA-N 285.343 1.198 0 50 CDAA biogenic,fda COc1ccccc1CNC(=O)C(=O)Nc1nccs1 4503844 ZYTYFBOJCBFBIF-UHFFFAOYSA-N 291.332 1.407 0 50 CDAA COc1ccc(CN2CCC(C(N)=O)CC2)cc1C 4988839 MGZXKOOLTQZGIP-UHFFFAOYSA-N 262.353 1.701 0 50 CDAA O=C(COc1ccccc1)Nc1ccc(-n2cnnn2)cc1 6287570 AENPJZXNDRFFLP-UHFFFAOYSA-N 295.302 1.680 0 50 CDAA CCOC(=O)c1c(C)nn(-c2nc(C)cc(C)n2)c1N 10382156 IKNIRPGJQWIOLK-UHFFFAOYSA-N 275.312 1.346 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)c(C)c1 8714285 OVFXBTLXEHUSFP-LBPRGKRZSA-N 294.380 1.262 0 50 CDAA c1cncc(CN2CCCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)c1 102521649 OIPCSVVSOJHXHS-FVQHAEBGSA-N 286.423 1.055 0 50 CDAA CCc1c(C)nc(NC[C@H]2CCCNC2)[nH]c1=O 57329944 ZGFVDNKDOBPABT-JTQLQIEISA-N 250.346 1.052 0 50 CDAA COC(=O)[C@H]1CN1C(=O)c1cc(C)nc2cc(C)ccc12 55243971 ZNGVPBULTQMNBT-IKJXHCRLSA-N 284.315 1.849 0 50 CDAA CCc1cc(C(=O)NCC(=O)OC)cc(Cl)n1 228077499 RCZUONUKEPIEBP-UHFFFAOYSA-N 256.689 1.200 0 50 CDAA O=C(NCCn1cccn1)c1ccc2ncsc2c1 20782005 WNWCOKXUISPWOJ-UHFFFAOYSA-N 272.333 1.923 0 50 CDAA COc1ccnc(C(=O)NCc2cn3c(C)cccc3n2)c1 172291025 RQEPOAVKCGQICE-UHFFFAOYSA-N 296.330 1.976 0 50 CDAA O=C(CCn1cncn1)NC[C@H]1COc2ccccc2C1 54812037 NRRFMVOZCUKPBF-LBPRGKRZSA-N 286.335 1.036 0 50 CDAA CCn1nnnc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 249699687 XCDFUGDVAKMOIV-GMTAPVOTSA-N 297.428 1.869 0 50 CDAA O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1F 118942022 AIHOOIBPWORWFQ-MRVPVSSYSA-N 296.729 1.972 0 50 CDAA FCCn1ncnc1CN1CC[C@@H](Oc2ccccc2)C1 366941774 UEKHJJQSESHIFS-CQSZACIVSA-N 290.342 1.901 0 50 CDAA Cn1cc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)cn1 20913462 KIZTXNCXFVTRRP-LBPRGKRZSA-N 284.319 1.162 0 50 CDAA CC(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 120700492 QRSGAOIBFMMRDT-LLVKDONJSA-N 286.253 1.725 0 50 CDAA Cc1nonc1[C@H]1CCCN1Cc1ncccc1C(=O)O 65372277 OQPAXEDUOXMKLO-GFCCVEGCSA-N 288.307 1.808 0 50 CDAA CC(=O)NCCNC(=O)c1ccc([S@](=O)C(C)C)cc1 253431714 SYZPSDYGLDZQFF-HXUWFJFHSA-N 296.392 1.069 0 50 CDAA CO[C@H]1CCC[C@H](c2nc(-c3cnc(C)[nH]c3=N)no2)C1 328816418 CWEKAYDFTZJPJJ-UWVGGRQHSA-N 289.339 1.920 0 50 CDAA CCOC(=O)C1=C(N)CN(Cc2ccccc2)CC1 66348999 LXFAPROJUMIFNK-UHFFFAOYSA-N 260.337 1.668 0 50 CDAA COc1cc(C(=O)NC[C@@H]2CCOC2)ccc1F 219309735 SFKBMNMSUOGWDS-VIFPVBQESA-N 253.273 1.601 0 50 CDAA CN1CCCC[C@H]1CCn1cnc2ccncc2c1=O 32560977 DVQGFBXWHDCLOY-LBPRGKRZSA-N 272.352 1.666 0 50 CDAA CCCOc1ccc(CCNC(=O)[C@@H]2CNCCO2)cc1 216426879 XUXHBKLXJWKPKL-HNNXBMFYSA-N 292.379 1.123 0 50 CDAA COc1ncccc1CN1C[C@H](CO)Oc2ccccc21 365347463 ZYJOAHCIPGYCNG-CYBMUJFWSA-N 286.331 1.850 0 50 CDAA CCCCNC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 155372598 JDHDNOLZAYHZFU-CYBMUJFWSA-N 273.336 1.942 0 50 CDAA c1cnn([C@H]2CCCC[C@@H]2NCC2OCCO2)c1 128391506 JCNUJXUYCKURJX-RYUDHWBXSA-N 251.330 1.329 0 50 CDAA O=C(C[C@@H]1C=CCCC1)N[C@H]1CCc2nnnn2CC1 333732127 LCVFHAZBIPHZCF-NEPJUHHUSA-N 275.356 1.241 0 50 CDAA Cc1ccc(C)c(OCCN[C@H](CO)[C@@H]2CCCO2)c1 447908536 AJYGCQYPJHGTEO-CABCVRRESA-N 279.380 1.812 0 50 CDAA C[C@H](NC(=O)N1CCO[C@@H]2CCC[C@@H]21)c1ccn(C)n1 333868949 OVSQWJUOINVDMX-WCFLWFBJSA-N 278.356 1.444 0 50 CDAA CC(C)(C)C[C@@H](N)C(=O)NCCCc1csc(N)n1 219913172 DCFABUFRYVMMDV-SNVBAGLBSA-N 284.429 1.538 0 50 CDAA Cc1cc(F)ccc1[C@H](O)CN1CCO[C@@]2(CCOC2)C1 372198077 WCMOAABAFFJQCW-CVEARBPZSA-N 295.354 1.659 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2-n2cccn2)C1 237655022 SRBXTLJRSFFQRU-MRXNPFEDSA-N 299.330 1.809 0 50 CDAA CCn1c(CNC(=O)Cc2nonc2C)nc2ccccc21 216138639 UUVYQIRWLKXESY-UHFFFAOYSA-N 299.334 1.607 0 50 CDAA COc1ccc(/C=C/C(=O)N2CCC[C@H](N)C2)cc1F 157707639 ZZJYIOJVRCDEPO-PZBABLGHSA-N 278.327 1.797 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CCC(OC2CCCC2)CC1 262586648 GTFFXZIWHYKPDB-QWHCGFSZSA-N 281.352 1.657 0 50 CDAA COc1ccc(N2C[C@H](Nc3ncncn3)CC2=O)cc1 219563437 HJMRGKXNRJSJQU-SNVBAGLBSA-N 285.307 1.098 0 50 CDAA CN1Cc2ccc(CN(C)C(=O)c3cnc[nH]3)cc2C1 219131939 FVEOMHQECHKQSG-UHFFFAOYSA-N 270.336 1.627 0 50 CDAA Cc1nc([C@@H](C)NC(=O)COc2ccc(F)cc2)n[nH]1 71315075 VSODHRJECJTRHF-MRVPVSSYSA-N 278.287 1.508 0 50 CDAA CN(Cc1cnc(-c2ccccn2)nc1)Cc1cnccn1 215422483 XJEAWMPECKAXMK-UHFFFAOYSA-N 292.346 1.961 0 50 CDAA COc1cccc(NC(=O)Cn2nc(C)c(C)cc2=O)c1 72117605 BEUYWSMUBFWZGW-UHFFFAOYSA-N 287.319 1.507 0 50 CDAA Cn1cncc1C(=O)NCCN1CCCC1(C)C 457056482 OAPDOLYCQAUEDF-UHFFFAOYSA-N 250.346 1.024 0 50 CDAA CSCC(=O)N1CCCN(c2ccncc2C)CC1 82126296 AYZXHWHYKGTNFH-UHFFFAOYSA-N 279.409 1.792 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCC3(CCOCC3)CC2)[nH]1 426412223 IONVQHSIJQKDCQ-UHFFFAOYSA-N 290.363 1.716 0 50 CDAA CC(C)c1nnc([C@H](C)NC(=O)CCc2ccnn2C)o1 426421901 OTNQOPWNGPADFC-JTQLQIEISA-N 291.355 1.737 0 50 CDAA Cc1cc(S(=O)(=O)N[C@@H]2CCN(C)C2)c(C)s1 48907858 IGWIAWTYMUSHQL-SNVBAGLBSA-N 274.411 1.347 0 50 CDAA Cc1ccc2nc(CN3C(=O)COc4cccnc43)cn2c1 95367903 ROSGMWANJKZBTF-UHFFFAOYSA-N 294.314 1.963 0 50 CDAA c1cncc(CN2CCCN(Cc3cnc[nH]3)CC2)c1 97745131 GJDIWWUZALNBHB-UHFFFAOYSA-N 271.368 1.513 0 50 CDAA CN(C)C[C@H]1C[C@H](CO)CN(Cc2ccccn2)C1 91966349 YQPAMHDKSIMYEC-KGLIPLIRSA-N 263.385 1.074 0 50 CDAA COCCOCc1nc(C)nn1-c1ccc(F)cc1 96133099 HTTKAUDMZLSWMT-UHFFFAOYSA-N 265.288 1.878 0 50 CDAA Cc1nnc(NCc2ccc(C(=O)N(C)C)o2)o1 95387077 QIVUTHBISZVIFU-UHFFFAOYSA-N 250.258 1.285 0 50 CDAA O=C1COc2ccc(CN3CCC[C@@](F)(CO)C3)cc2N1 294003155 SWSLZWZKAXTXOH-HNNXBMFYSA-N 294.326 1.314 0 50 CDAA Cc1[nH]nc(CCc2nc([C@H]3CCOC3)no2)c1C 96165693 HSKLKXZDNMMSAN-JTQLQIEISA-N 262.313 1.699 0 50 CDAA Cn1c(=O)c(C(=O)NCC[C@@H]2CCCN2)cc2ccccc21 97402568 DFGMUQISLAKYGJ-ZDUSSCGKSA-N 299.374 1.410 0 50 CDAA COc1ccc(-c2ccc(CS(C)(=O)=O)cn2)cn1 97602348 CRSVMJVGCUSVJQ-UHFFFAOYSA-N 278.333 1.697 0 50 CDAA COCc1cc(CNc2nc3c(s2)c(C)nn3C)n[nH]1 95527426 UEUJZFFRRBNAFA-UHFFFAOYSA-N 292.368 1.820 0 50 CDAA O=C(c1cccc(-c2ncn[nH]2)c1)N1CCC[C@@H](O)CC1 294640638 DAXAVZUUYTYKAY-CYBMUJFWSA-N 286.335 1.459 0 50 CDAA COc1ccc(/C=C/CN2CC(N3CCOCC3)C2)cc1 97730018 MWTDNXUHZYIHBJ-NSCUHMNNSA-N 288.391 1.725 0 50 CDAA CC(C)Cc1cc(C(=O)NCCc2ccncc2)n(C)n1 92066345 XCYYXECLJVTFPC-UHFFFAOYSA-N 286.379 1.986 0 50 CDAA O=C(CCc1n[nH]c2c1CCCC2)N1CCSCC1 97602165 IUPJIFDQDWGSGC-UHFFFAOYSA-N 279.409 1.797 0 50 CDAA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)C(C)(C)N)C1 237682260 NABVAZOHCMCGMX-KGLIPLIRSA-N 281.444 1.837 0 50 CDAA Cc1cccc(C[C@@H](C)NC(=O)CCc2cn[nH]c2)n1 244716283 LMEBOGSGXCZZET-GFCCVEGCSA-N 272.352 1.793 0 50 CDAA O=C(CN1CCC(O)CC1)NCc1cnc2ccccc2c1 243893032 ANRWGQAHOLSORD-UHFFFAOYSA-N 299.374 1.308 0 50 CDAA CCC1=NO[C@H](C(=O)NCc2nc(CSC)no2)C1 244874560 XDDSKIKJAHYDRN-QMMMGPOBSA-N 284.341 1.104 0 50 CDAA C[C@@H](c1ccncn1)N(C)CC(=O)NC(C)(C)C 244795035 QYMABEFUNMWIHA-JTQLQIEISA-N 250.346 1.384 0 50 CDAA CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@]12CCc1ccccc12 247409909 IRPPLVNUBKFPCE-DAYGRLMNSA-N 298.386 1.628 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@H]2Cn2ccnn2)cn1 299742647 IAZNYEFGCFWMST-AWEZNQCLSA-N 285.351 1.215 0 50 CDAA C[C@@H](c1ccc(C#N)cc1)N1CCC([C@@H](O)C(N)=O)CC1 299748234 GNHPRALCZDPLNQ-XHDPSFHLSA-N 287.363 1.177 0 50 CDAA CCc1cccc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)c1 299740293 YCKPFYZYYDNKMD-YPMHNXCESA-N 282.409 1.749 0 50 CDAA O=c1cc(Br)ccn1C1CCOCC1 255187540 FFTRLINQGCXXEX-UHFFFAOYSA-N 258.115 1.962 0 50 CDAA CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(F)cc1 268882599 FCQMYKFBIWBYHD-NEPJUHHUSA-N 279.311 1.940 0 50 CDAA COc1cc(C(=O)NCC2(Cn3cccn3)CC2)ccn1 534658204 TVTOCONBRXDSFJ-UHFFFAOYSA-N 286.335 1.497 0 50 CDAA CCC[C@@H](NC(=O)c1cn2cccnc2n1)c1nccn1C 534658764 YVTHQABLRATAEQ-LLVKDONJSA-N 298.350 1.734 0 50 CDAA Cc1ncncc1C(=O)NC[C@H]1CCN(C2CCCC2)C1 534658245 QEJMMPHMUOKUOW-CYBMUJFWSA-N 288.395 1.779 0 50 CDAA O=S(=O)(c1cccc(F)c1)N1[C@H]2CC[C@@H]1[C@@H]1CNC[C@@H]12 534629978 JFPRSAMCWKZUFJ-KPWCQOOUSA-N 296.367 1.197 0 50 CDAA COc1cccc(C(=O)N[C@H](C)c2ncnn2C)c1OC 277039839 BPTXSWSLJKZEMA-SECBINFHSA-N 290.323 1.323 0 50 CDAA COc1cccc(S(=O)(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1 91391488 RWWGFUVGRGWQRE-KGLIPLIRSA-N 296.392 1.053 0 50 CDAA Cc1cc(CC(=O)N[C@H](C)Cc2cccc(C)n2)on1 299775269 HRIQFQYCAAFQOB-LLVKDONJSA-N 273.336 1.976 0 50 CDAA Cc1nc2ccccn2c1CN(C)C(=O)C[C@H]1CCNC1 299789535 WWWGQYHCGBNGAY-CYBMUJFWSA-N 286.379 1.601 0 50 CDAA Cc1cc(C)c(C(=O)N2CCC(C3(O)CC3)CC2)c(O)n1 652663915 SOTIXDDYMMIALW-UHFFFAOYSA-N 290.363 1.781 0 50 CDAA Cc1cc(CC(=O)N2CCC(c3cc[nH]n3)CC2)on1 576587372 CAIVGDLHDAHECM-UHFFFAOYSA-N 274.324 1.655 0 50 CDAA CCc1nccn1CCC(=O)NCCc1csc(N)n1 823557204 GSKZZBXPDXFYIK-UHFFFAOYSA-N 293.396 1.233 0 50 CDAA CC[C@H](CO)NC(=O)NCCc1nc2c(s1)CCC2 584892946 VCTOZZCLBMHMLY-SECBINFHSA-N 283.397 1.244 0 50 CDAA CCc1csc(CCN[C@H]2CCNC(=O)CC2)n1 584904032 KAWAZDSJOFFSED-LLVKDONJSA-N 267.398 1.506 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(c3ccc4nnc(C5CC5)n4n3)CC[C@H]21 906151099 UJXSDTSDPVUTNF-GBIKHYSHSA-N 299.334 1.159 0 50 CDAA C[C@H](CN1CCCC1)n1cnc2ncccc2c1=O 584895880 FSAUKWZBUPVOAU-LLVKDONJSA-N 258.325 1.448 0 50 CDAA CN(CCCN1CCOCC1)C(=O)[C@@]1(C)CCCCO1 584885003 TYLZGZHSWDNZDE-OAHLLOKOSA-N 284.400 1.126 0 50 CDAA COc1ccccc1O[C@H](C)CNC(=O)[C@H](C)CC(=O)O 585134384 QGOFPVIJGGRNDV-GHMZBOCLSA-N 295.335 1.690 0 50 CDAA CCc1nn(C)c2c(=O)n(CCc3cccs3)cnc12 584891120 LAHVLSLTQXTDKQ-UHFFFAOYSA-N 288.376 1.997 0 50 CDAA CC(C)O[C@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1O 584903957 FFVOZXIYOTVSFF-IUCAKERBSA-N 269.263 1.326 0 50 CDAA COc1cccc(Cn2cc(CN(C)C(C)=O)nn2)c1 675056823 PVBNCZBOAUUVAN-UHFFFAOYSA-N 274.324 1.313 0 50 CDAA CC(C)Cn1ccc(C(=O)N2C[C@H](C)Cn3ncnc32)n1 1548453220 BKXVZMRJMFWMIF-NSHDSACASA-N 288.355 1.427 0 50 CDAA Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H]([C@@H](C)N)C1 269231432 AOQWCKFXIRHPJK-MFKMUULPSA-N 294.399 1.002 0 50 CDAA CC1(C)CN(C(=O)c2cn(CCN)nn2)[C@H]1c1ccccc1 952894621 OMXDSCPFCXXVQC-AWEZNQCLSA-N 299.378 1.460 0 50 CDAA Cc1ncc2ccc(C(=O)N[C@H](C)Cn3cncn3)cn12 952845161 DEPIHJLXUMXCDF-SNVBAGLBSA-N 284.323 1.053 0 50 CDAA Cc1ccn(C[C@@H](C)C(=O)Nc2ccc(O)cc2O)n1 1558156857 WDURMCMCWBYYBK-SECBINFHSA-N 275.308 1.878 0 50 CDAA C[C@H]1CCN(C(=O)c2cc(C(N)=O)[nH]n2)c2ccccc21 1875292637 OFDBCTWUTMSAAQ-VIFPVBQESA-N 284.319 1.663 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cc(C(C)(C)C)nn1C 1875311592 GFFAYRIODBVNSF-VOTSOKGWSA-N 279.340 1.177 0 50 CDAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NC3(CN(C)C)CC3)n[nH]c21 1875396280 AOJDXZCTHGBMSK-ZJUUUORDSA-N 292.383 1.256 0 50 CDAA O=C(N[C@@H]1CCc2ccccc21)[C@@H](O)CN1CCCC1 1875308732 ULECYPVYRAAZHU-CABCVRRESA-N 274.364 1.247 0 50 CDAA COC[C@H](O)CN=c1[nH]c(Cl)cc2ccccc12 1875337677 ZATWOZZFRITBKX-SNVBAGLBSA-N 266.728 1.729 0 50 CDAA CSCC(=O)N1CCC(CNC(=O)c2ccoc2)CC1 948735782 QTMJKTAWIPJKSQ-UHFFFAOYSA-N 296.392 1.611 0 50 CDAA C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1ccccn1 877949170 WKUOFYGITYWUMD-IINYFYTJSA-N 270.336 1.787 0 50 CDAA CC1=C(C(=O)NC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)OCCO1 952980788 KUYHXVCIKCQLRO-CPWXYTRJSA-N 293.363 1.465 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)([C@@H](N)C2CCCC2)C1 958528675 RZRCQHNRFHZMKY-NSHDSACASA-N 270.373 1.486 0 50 CDAA C[C@@H](NC(=O)CCCn1cncn1)c1ccc(O)c(F)c1 952991167 YZZHXHRQWHILBT-SNVBAGLBSA-N 292.314 1.780 0 50 CDAA COCCNC(=O)c1cccc(NC(=O)[C@H](C)OC)c1C 952978554 YQECZWYPNGNQEZ-NSHDSACASA-N 294.351 1.345 0 50 CDAA COCC(C)(C)C(=O)N1Cc2c[nH]nc2C[C@H](C)C1 1303525582 ADNZCJSYIWKRAG-JTQLQIEISA-N 265.357 1.603 0 50 CDAA CC(C)c1nc([C@H]2CN(S(C)(=O)=O)C[C@@H]2C2CC2)n[nH]1 1775984782 IASDOAFAJCCCRZ-MNOVXSKESA-N 298.412 1.313 0 50 CDAA C[C@H](Cn1cc(C(=O)O)cn1)NC(=O)OC(C)(C)C 1772716115 QOQIFDGXHRRXNM-MRVPVSSYSA-N 269.301 1.495 0 50 CDAA COCCCN(C)C(=O)Nc1cc(C(F)(F)F)n(C)n1 1467435393 BGTHMLPHBXISRR-UHFFFAOYSA-N 294.277 1.939 0 50 CDAA CC(C)[C@]1(C)C[C@H]1C(=O)NS(=O)(=O)CC(F)(F)F 408481765 RXGWHSHZAWVDPM-CBAPKCEASA-N 287.303 1.677 0 50 CDAA Cn1ccnc1NC(=O)[C@H]1CCN1C(=O)OC(C)(C)C 408521051 GHSLBXMVFBXXTG-SECBINFHSA-N 280.328 1.368 0 50 CDAA O=C(N[C@@H]1CCCN(c2nccnc2O)C1)C1CC=CC1 275841167 WBMNAARQPHVLBC-GFCCVEGCSA-N 288.351 1.233 0 50 CDAA CNC(=O)CC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 186804378 QZUKYGRZNGIGAC-GFCCVEGCSA-N 278.327 1.353 0 50 CDAA O=C(Nc1ccc(OC(F)F)nc1)NC1CCNCC1 415695656 SQZBMMRRBNDXOV-UHFFFAOYSA-N 286.282 1.557 0 50 CDAA CC(=O)N[C@@H]1C(=O)N(Cc2cccc(F)c2)N=C1C 634590387 XVUKIHFOZSPPKD-LBPRGKRZSA-N 263.272 1.049 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1C 187974145 ZNMLHRSGONTHKR-PWSUYJOCSA-N 262.309 1.353 0 50 CDAA CC(C)[C@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 172842812 JXVHJKQXAXRHRY-RYUDHWBXSA-N 292.383 1.324 0 50 CDAA C[C@H]1CN(C(=O)c2ccncc2C(F)(F)F)CCO1 192138871 SYTXVJYNBFYXCV-QMMMGPOBSA-N 274.242 1.961 0 50 CDAA COCCN(Cc1cccs1)C(=O)C[C@H]1CCNC1 89744179 NNAIQQVSZFCJHA-GFCCVEGCSA-N 282.409 1.723 0 50 CDAA Cn1nnc(CN2CC[C@H](Oc3cccc(Cl)c3)C2)n1 193472662 UTAKGCUYWDBPEF-LBPRGKRZSA-N 293.758 1.517 0 50 CDAA Cn1cccc1C(=O)Cn1cnnc1[C@H](O)c1ccccc1 195177808 QARXRXKERPLEEH-OAHLLOKOSA-N 296.330 1.581 0 50 CDAA CCCCOC[C@@H](O)CN1CCC(C2OCCO2)CC1 195174416 WBORHAGVBIEDGK-AWEZNQCLSA-N 287.400 1.249 0 50 CDAA Cc1c(C(=O)N[C@@H]2CCc3[nH]ncc3C2)ccn1C 195262266 PSYIMRYOBFZACX-LLVKDONJSA-N 258.325 1.344 0 50 CDAA C[C@H](NC(=O)Cc1cc(F)c(F)cc1F)c1ncon1 195553060 RDIXEJRJHGHXAH-LURJTMIESA-N 285.225 1.907 0 50 CDAA Cc1nccnc1C(=O)N[C@@H]1CCc2c(O)cccc21 668715418 OXTSYJTUCRPKHT-GFCCVEGCSA-N 269.304 1.908 0 50 CDAA CSC[C@H](C)C(=O)N[C@H](c1csc(C)n1)[C@H](C)O 585130271 LZDYWJZOPFAHIM-LAEOZQHASA-N 288.438 1.989 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NCCCn2cnnc2O)CC(C)(C)C1 585130081 GYKBSSJBCDZAOU-VXGBXAGGSA-N 294.399 1.952 0 50 CDAA Cc1c(C(=O)N[C@@H]2CCSC2)nc2ccccn12 1857699410 TVHDHAFTUPZPSQ-SNVBAGLBSA-N 261.350 1.878 0 50 CDAA CN1CCOC2(CCN(C(=O)CC3=CCCC3)CC2)C1 1857704165 GSCZOLUJXHCKQK-UHFFFAOYSA-N 278.396 1.810 0 50 CDAA O=C1C=CC(=O)N1c1cccc(Br)c1 97995 KJJYDECLTBAKCK-UHFFFAOYSA-N 252.067 1.879 0 50 CDAA in-vitro CS(=O)(=O)CC(=O)c1cccc(C(F)(F)F)c1 153873 DKOAKSYPFZFHMT-UHFFFAOYSA-N 266.240 1.933 0 50 CDAA in-vitro C[C@@H]1N(Cc2nnnn2CC(F)(F)F)CCOC1(C)C 408378377 DMPVCRMSLWBADE-QMMMGPOBSA-N 293.293 1.235 0 50 CDAA COc1cc(CNC(C)(C)CO)cc2c1OCO2 109844910 OGRWQNHPRUWKLW-UHFFFAOYSA-N 253.298 1.284 0 50 CDAA C[C@@H]1C[C@@H](NS(=O)(=O)CCCC(F)(F)F)CCN1 235287427 IESAWXYZUNNYSU-BDAKNGLRSA-N 288.335 1.389 0 50 CDAA COC[C@H]1CCN1C(=O)c1cnc(C(C)(C)C)nc1 554577287 HGOAOGKBBNFVRV-LLVKDONJSA-N 263.341 1.635 0 50 CDAA CCc1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc1 1616040795 FCVVORSTLUISQH-CABCVRRESA-N 275.396 1.679 0 50 CDAA Cn1ncc(Cl)c1C(=O)NCc1[nH]nc2ncccc12 1772805946 RTYKHFTYRBNTOR-UHFFFAOYSA-N 290.714 1.275 0 50 CDAA CCN1CCN(C(=O)c2cc(C)cc(C)c2)CCC1=O 12165108 WXSPZYBUHIOZKQ-UHFFFAOYSA-N 274.364 1.998 0 50 CDAA CC(C)(C)C(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1 12381239 LVJCPYDKOCPRDL-CYBMUJFWSA-N 296.411 1.566 0 50 CDAA Cc1ccccc1O[C@@H](C)C(=O)NC1CCN(C)CC1 16603068 FBYVVYLPMJTPFG-ZDUSSCGKSA-N 276.380 1.973 0 50 CDAA Cc1[nH]c2ccccc2n2c(=O)c(CC(=O)O)cc1-2 19142582 COTIZQWIFOQEJC-UHFFFAOYSA-N 256.261 1.692 0 50 CDAA biogenic O=C1c2ccccc2S(=O)(=O)N1SC(F)(F)F 169811267 KNDYXRJLEZMPBC-UHFFFAOYSA-N 283.252 1.999 0 50 CDAA O=C(N[C@H]1CCCCCC[C@@H]1O)c1n[nH]c2c1COCC2 1857667225 MEVZZYHOSKEABK-STQMWFEESA-N 293.367 1.296 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)OCC12CC2 1857523548 JTEXOLYOMIHEJA-QMMMGPOBSA-N 257.286 1.240 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccoc2)n1 408052784 DFWIEHULMDECNR-KCJUWKMLSA-N 277.280 1.573 0 50 CDAA CNC[C@@H](C)C(=O)N1CCO[C@@H](c2ccccc2F)C1 237175892 KXDNLNUNUSYSKQ-BXUZGUMPSA-N 280.343 1.581 0 50 CDAA Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1CO 133212909 LVKMARPWZFKATR-AWEZNQCLSA-N 285.347 1.778 0 50 CDAA CCN1CCCN(C(=O)c2ccc(C(=O)O)cc2)CC1=O 263477314 ZMXBZWROSMDYCC-UHFFFAOYSA-N 290.319 1.079 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCC[C@@H]1c1ncc[nH]1 847646306 FTKCWDWRCZWUQQ-LLVKDONJSA-N 299.334 1.760 0 50 CDAA C=CC(=O)N(C)CC(=O)N=[S@@]1(=O)CCc2ccccc21 926039092 XKFOPSMWLUEUMQ-HXUWFJFHSA-N 292.360 1.241 0 50 CDAA CCn1cc(C(=O)NCc2cc(OC)ccc2F)nn1 826840998 ZLYZOOMZDKTWQZ-UHFFFAOYSA-N 278.287 1.376 0 50 CDAA Cc1ncc(CN2CC(=O)NC[C@H]2c2ccccc2)o1 933324573 YOXWMLAETYHWFD-AWEZNQCLSA-N 271.320 1.656 0 50 CDAA C=CC(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1 1120553415 YQRIQTSEGHVINC-LBPRGKRZSA-N 257.293 1.964 0 50 CDAA CN1CCO[C@H]2CN(Cc3cnc(C(C)(C)C)s3)C[C@H]21 230203127 ACJPGZQYCQZIEE-OLZOCXBDSA-N 295.452 1.955 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)C2Cc3ccccc3C2)C1 236452515 LFXJZDAVUJJBFI-CYBMUJFWSA-N 273.332 1.725 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](CN2CCCC2)C1 237912525 PRLPGJVGDMFGTF-MELADBBJSA-N 265.401 1.058 0 50 CDAA N[C@@H]1CCCN(C(=O)c2cnn3ccccc23)CC1 72161719 FEHWUHBKYKWUHS-LLVKDONJSA-N 258.325 1.288 0 50 CDAA CC(C)OCC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907941632 SXZOFDLNRPARPE-ZRUFSTJUSA-N 255.314 1.027 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)C(C1CC1)C1CC1 692311090 RFFGEPKRVWXOBQ-OAHLLOKOSA-N 281.352 1.515 0 50 CDAA O=C(Nc1noc(C2CC2)n1)c1ccnc(-n2cnnc2)c1 2100473163 CCRCGQXOFUDGCP-UHFFFAOYSA-N 297.278 1.175 0 50 CDAA O=C(Nc1ccc2c(c1)OCO2)N1CCOCC1 202547 ZQIKURSYQJVIRT-UHFFFAOYSA-N 250.254 1.279 0 50 CDAA CCOC(=O)Cc1c(C(=O)OCC)[nH]c(C)c1C(=O)O 402235 JGZGUPTWAYEWTL-UHFFFAOYSA-N 283.280 1.304 0 50 CDAA COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)C1 512157 WBJXRNXVAIUOIG-UHFFFAOYSA-N 289.287 1.657 0 50 CDAA CCCC(CCC)C(=O)Nc1c[nH]c(=O)[nH]c1=O 621020 YOAFNHKPLVJVIC-UHFFFAOYSA-N 253.302 1.218 0 50 CDAA Cc1c(Cl)cccc1N[C@H]1CS(=O)(=O)C[C@@H]1O 988927 OVRPPUYXOZPLPR-QWRGUYRKSA-N 275.757 1.218 0 50 CDAA O=C1C=C(Br)C(=O)N1c1ccccc1 1605526 XPWBLMOTTABVDZ-UHFFFAOYSA-N 252.067 1.839 0 50 CDAA Cc1nc2ccnn2c(N[C@@H]2CCCCNC2=O)c1C 2356152464 KRRQBPYGGVQQAE-LLVKDONJSA-N 273.340 1.427 0 50 CDAA CCCN1Cc2nnc(-c3coc(C)n3)n2[C@H](C)C1=O 2356161375 SJPXJYZDCUAKAM-MRVPVSSYSA-N 275.312 1.555 0 50 CDAA Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCO)cc1 2943113 YKGAAGAVPVDFBF-UHFFFAOYSA-N 298.342 1.969 0 50 CDAA CC[C@H](CNCCc1ccc(OC)c(OC)c1)C(=O)O 3124374 UZQOCFIVJRNSLM-GFCCVEGCSA-N 281.352 1.947 0 50 CDAA COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 4010840 HCHCWACJRUMOCP-UHFFFAOYSA-N 297.376 1.956 0 50 CDAA COc1ccc2nc(Nc3nc(O)cc(=O)[nH]3)nc(C)c2c1 4855423 JWVUKIDMWYCPKX-UHFFFAOYSA-N 299.290 1.479 0 50 CDAA CCCN1CCC(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)CC1 6741759 ZNMRQHDNTSWWQS-KBPBESRZSA-N 294.395 1.644 0 50 CDAA CCOC(=O)c1cccc(Nc2nncc(O)n2)c1 8997287 CGXVMYAMSUPNCQ-UHFFFAOYSA-N 260.253 1.498 0 50 CDAA O=C(CCN1CCCCO1)NCCCCc1ccccn1 55383949 LOPRSWOUTSXRFW-UHFFFAOYSA-N 291.395 1.938 0 50 CDAA CC(=O)N[C@H](C)C(=O)Nc1ccc(F)c(Cl)c1 25406752 IRUDQRJPMANDEK-ZCFIWIBFSA-N 258.680 1.942 0 50 CDAA CNCC(=O)NCc1cccnc1N(C)Cc1ccccc1 67784678 KRUUGKRBVRDYTR-UHFFFAOYSA-N 298.390 1.554 0 50 CDAA Cc1noc(C)c1CCC(=O)Nc1cnn(C)c1C 177245993 RLOKGDYIHOCZOQ-UHFFFAOYSA-N 262.313 1.905 0 50 CDAA NC(=O)NOCc1ccc(F)cc1Br 152158626 ORNXHTHOEGOAPI-UHFFFAOYSA-N 263.066 1.688 0 50 CDAA CCC[C@@H](NC(=O)/C=C/c1ccc(O)cc1)c1nnn[nH]1 126563679 WHNYPYSFWVTKTI-UVMWJGKXSA-N 287.323 1.576 0 50 CDAA C[C@H](c1nc(CCc2ccccc2)n[nH]1)n1cncn1 65528524 APJKPYZSRUSLEE-LLVKDONJSA-N 268.324 1.791 0 50 CDAA COc1ncc(C(=O)N[C@H]2CCCCNC2=O)cc1Cl 332274286 GYESPSWOGMHQMB-JTQLQIEISA-N 297.742 1.142 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccnc2ccnn12 428738568 FNJFWGUKVJRVLZ-WDEREUQCSA-N 274.324 1.873 0 50 CDAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1cccc(-n2cncn2)c1 122217319 XZKPBWZSBCLWKJ-WFASDCNBSA-N 299.378 1.609 0 50 CDAA Cc1cccc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 284676791 IAGXMIIYPLOYSF-AWEZNQCLSA-N 273.340 1.013 0 50 CDAA CCc1cccc(-n2c(-c3ccnn3C)n[nH]c2=O)c1 65463804 PCBWBOXDFMANLH-UHFFFAOYSA-N 269.308 1.524 0 50 CDAA CN(CC1CC1)C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)CCO1 328629218 HZBUDTMBRKLHNJ-HZPDHXFCSA-N 292.423 1.912 0 50 CDAA C[C@H](c1cnccn1)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 253370470 RGQIXNORXCMUOF-CTASWTNQSA-N 272.396 1.954 0 50 CDAA Cc1cc(CNC(=O)N[C@@H](C)[C@H]2CCCOC2)on1 332850385 SYEWTBTTXMRSQR-QWRGUYRKSA-N 267.329 1.597 0 50 CDAA COc1cc(F)c(CN2CCOC[C@H]2CO)c(F)c1 215672267 PVQVYQGFPOEJTH-SECBINFHSA-N 273.279 1.167 0 50 CDAA Cc1nc(CCN2CCC[C@H]2c2nc(N)n(C)n2)cs1 284435087 YUTAVYWPPVADJW-NSHDSACASA-N 292.412 1.542 0 50 CDAA CCCN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2N)C1 236763495 HIFOSNHLGVMIIQ-MJBXVCDLSA-N 267.417 1.304 0 50 CDAA C[C@]1(F)CCCN(C(=O)NCc2nc(C3CC3)n[nH]2)C1 334104781 XQBAQWOHAKZEIY-ZDUSSCGKSA-N 281.335 1.716 0 50 CDAA CN(Cc1cn2c(n1)CCCC2)C(=O)[C@]1(O)CCSC1 335699913 LGZGBWUSGLKADV-AWEZNQCLSA-N 295.408 1.046 0 50 CDAA C[C@@H]1CC[C@H](C(=O)NCCc2nc(C(=O)O)cs2)O1 157956415 WSBVPWYXNGSNPK-VXNVDRBHSA-N 284.337 1.068 0 50 CDAA C[C@@H](CN1CCCCC1)NC(=O)NCC1(N(C)C)CC1 864094032 ATJCXNUHTLWJKW-ZDUSSCGKSA-N 282.432 1.254 0 50 CDAA Ic1cccc(-n2ccnn2)c1 238853361 JIGOIJDJRMQQPT-UHFFFAOYSA-N 271.061 1.872 0 50 CDAA Cc1cnn(C)c1S(=O)(=O)N[C@H](C)c1cccc(O)c1 285346936 YXHNMBDYRJMOOI-SNVBAGLBSA-N 295.364 1.474 0 50 CDAA O[C@]1(C2CC2)CCN(c2ccc3nnc(C(F)F)n3n2)C1 377471854 XQAPLLKLMISJMD-CYBMUJFWSA-N 295.293 1.413 0 50 CDAA C[C@@H](C(=O)O)N(C)S(=O)(=O)C[C@@H]1CCCCC1(F)F 263210248 OVSSTHFYHXPDTL-IUCAKERBSA-N 299.339 1.547 0 50 CDAA COC[C@H]1CN(C(=O)c2cncc(C)c2)CC(C)(C)O1 285400581 GBDXOCWNWMVNQJ-CYBMUJFWSA-N 278.352 1.656 0 50 CDAA COc1ncc(C)cc1NC(=O)N[C@@H]1CCCC[C@@H]1O 174993196 FWARVSGQEIIJBI-PWSUYJOCSA-N 279.340 1.824 0 50 CDAA O=C(CCc1[nH]nc2c1CCCC2)N1CCn2cncc2C1 72168467 PFXCDCHVUIPNQG-UHFFFAOYSA-N 299.378 1.460 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCCn2ncnc21 177584232 ZHWBCYISPZZFIS-AAEUAGOBSA-N 286.335 1.697 0 50 CDAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1cccnc1C 220678335 YEQTZUWVHZVJOF-GFCCVEGCSA-N 261.325 1.083 0 50 CDAA COCC[C@@H]1COCCN1C(=O)CCc1ccco1 291103389 BBJPMBSHKQGCKY-GFCCVEGCSA-N 267.325 1.476 0 50 CDAA O=C(Cc1cc2ccccc2c(O)n1)N1CCN2CC[C@H]1C2 615574347 WHQJCYDQZVUCNW-AWEZNQCLSA-N 297.358 1.399 0 50 CDAA CC(=O)c1c(-c2ccc(S(C)(=O)=O)cc2)cnn1C 426402078 UOJDAMIKOTZLDF-UHFFFAOYSA-N 278.333 1.693 0 50 CDAA CCc1c(C)nn(CCNC(=O)c2cnc(C)nc2)c1C 426739016 HOBVCHBOBFCFMJ-UHFFFAOYSA-N 287.367 1.591 0 50 CDAA O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)[C@H](O)C1CC1 616353064 LDOYGWKKVZMBFM-GFCCVEGCSA-N 290.298 1.244 0 50 CDAA O=S1(=O)C(Br)=CC=C1Br 137659086 LKJJLFANVUXGGB-UHFFFAOYSA-N 273.933 1.887 0 50 CDAA in-vitro O=C([C@H]1CCCNC1)N1CCC(Cc2cccnc2)CC1 335566449 AVDWMCUWWGJKPC-INIZCTEOSA-N 287.407 1.862 0 50 CDAA O=C(O)c1cccc([C@@H]2CCCN(CCOCCO)C2)c1 95364333 PBWDZWAAQFTMJV-OAHLLOKOSA-N 293.363 1.573 0 50 CDAA Cc1ccccc1CC(=O)NCCn1cnc(C(=O)O)c1 231625561 YLHRGWVFLLJOGD-UHFFFAOYSA-N 287.319 1.249 0 50 CDAA COCCCNC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1 426535725 VJCNDQXHSQLVKH-UHFFFAOYSA-N 294.330 1.880 0 50 CDAA Cc1ncsc1CCC(=O)NC[C@@H](O)c1ccco1 97797684 SQZPKLNOSCHIGF-SNVBAGLBSA-N 280.349 1.827 0 50 CDAA CCN(C)[C@@H](C(=O)O)c1ccc(OC)nc1OC 95357139 PGRTZWZRNRGBLW-SNVBAGLBSA-N 254.286 1.176 0 50 CDAA Cc1cc(C)n([C@H](C)CNC(=O)Cn2ccccc2=O)n1 97602138 WXQWGVILKVQEGQ-CYBMUJFWSA-N 288.351 1.039 0 50 CDAA CCCCc1c(C)nc(N)nc1N1CC[C@H](OC)C1 91707005 PTJIJMDEGJNMHY-NSHDSACASA-N 264.373 1.935 0 50 CDAA CCN1C[C@H](C(=O)NCCCc2cccc(C)c2)CC1=O 95358029 CQINZUVWSODIPY-OAHLLOKOSA-N 288.391 1.912 0 50 CDAA CN(C)c1ccc(-c2nnc(/C=C/C(=O)O)o2)cc1 334160484 FRWLPPWUUCUWQN-BQYQJAHWSA-N 259.265 1.900 0 50 CDAA O=C(c1ccc(Cl)cc1)C12CN3CN(CN(C3)C1)C2 96316000 PBKBQCQUGFPIFR-UHFFFAOYSA-N 277.755 1.328 0 50 CDAA Cc1nn[nH]c1C(=O)N[C@H](CCN(C)C)c1ccccc1 534644086 IVQVYICGTFATFH-CYBMUJFWSA-N 287.367 1.536 0 50 CDAA O=C(NCCn1cncn1)c1ccc2c(c1)CCC2 263811746 NGTNLJGKXOKFQS-UHFFFAOYSA-N 256.309 1.197 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)CCn1ccnc1C 299772535 AUYPXZLGUWPQQQ-NSHDSACASA-N 290.371 1.461 0 50 CDAA CCCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)O)C2 299802545 ZBULFODEFXKVAD-LURJTMIESA-N 282.321 1.711 0 50 CDAA CCc1nc(CCNC(=O)[C@]2(C)CC(C)=NO2)cs1 299785651 RCUWXVBTEWPJCI-ZDUSSCGKSA-N 281.381 1.919 0 50 CDAA Cc1nc([C@H](C)NC2CCN(C(=O)C3CC3)CC2)n[nH]1 827911264 QRJQWPXBVLBTTC-VIFPVBQESA-N 277.372 1.165 0 50 CDAA CC1(C(=O)N2CCC(CN)(C(F)(F)F)CC2)CC1 725264737 QREWFFOVEABWER-UHFFFAOYSA-N 264.291 1.916 0 50 CDAA Cc1csc(CN(C)C(=O)CCc2nncn2C)n1 584894891 TVLFTTPQKDBUOL-UHFFFAOYSA-N 279.369 1.171 0 50 CDAA CC[C@@H](O)Cn1ncnc1-c1cnn2cc(C)cnc12 822619934 OAWYSVNRQVSRBI-SNVBAGLBSA-N 272.312 1.067 0 50 CDAA CN1CCCCC[C@H]1C(=O)NC1(CO)CCCC1 828686742 INPUJEVOSZYEGX-LBPRGKRZSA-N 254.374 1.282 0 50 CDAA Cc1cc(CC(=O)NCc2cc(C3CC3)n[nH]2)on1 584898055 IWJABGDDOZRQSO-UHFFFAOYSA-N 260.297 1.442 0 50 CDAA Cc1ccc2nc(CN(C)C(=O)N[C@@H](C)C(=O)O)[nH]c2c1 670435529 STTQPPSDRNHZHH-VIFPVBQESA-N 290.323 1.486 0 50 CDAA OC1(c2ccccn2)CCN([C@H]2CCSC2)CC1 670458515 CSZPLGGAZVNDNQ-LBPRGKRZSA-N 264.394 1.871 0 50 CDAA CC(C)OCC(=O)N1C[C@H]2CCC[C@@H](C1)N(C)C2 670445455 MUGBFMNSJBAIRB-STQMWFEESA-N 254.374 1.354 0 50 CDAA COc1cc(NC(=O)NC2CC(OC)(OC)C2)ccn1 685945079 SPILMNAWDZJCKK-UHFFFAOYSA-N 281.312 1.363 0 50 CDAA Nc1nc(NCCc2ccccc2O)nc(C2CC2)n1 1548508255 ZEMMDUQIHHHOSE-UHFFFAOYSA-N 271.324 1.691 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@H]2CCCNC2)CC1 68592354 PCCCSUUBJZRHGJ-LBPRGKRZSA-N 269.389 1.291 0 50 CDAA in-vitro O=C(CO)N1CCC[C@H](n2cnc3ccccc32)C1 1875265541 YAJMQGLBUKYOQY-NSHDSACASA-N 259.309 1.192 0 50 CDAA CCC1(c2cn([C@H]3CCN(C(=O)C4CC4)C3)nn2)COC1 1875344774 OQCCBBMIDKPJQW-LBPRGKRZSA-N 290.367 1.140 0 50 CDAA CC1(C)C[C@@H](CCN2Cc3nc(O)nc(O)c3C2)CO1 1875300643 LUVREYWPTATHDC-SECBINFHSA-N 279.340 1.409 0 50 CDAA O=C1NC2(CCCC2)C(=O)N[C@H]1c1cc(F)ccc1F 1875340301 VEDIYWTWOGYYGX-NSHDSACASA-N 280.274 1.565 0 50 CDAA O=C(O)c1cc(CCNC(=O)C2CCCCCC2)[nH]n1 1875306881 FPLIBOQYONNKRW-UHFFFAOYSA-N 279.340 1.737 0 50 CDAA CCn1ncc(C)c1NC(=O)c1cnn2cc(C)cnc12 898726031 VTSHAGKQGJDJLG-UHFFFAOYSA-N 284.323 1.815 0 50 CDAA CO[C@H]1CCN([C@H]2CCC[C@H]2NCCc2cnn(C)c2)C1 886082528 LLGAJWSLHWXNPE-XHSDSOJGSA-N 292.427 1.194 0 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O=C(c1ncccc1O)N1CCN(Cc2cccnc2)CC1 171241057 QWJYYVIDQSCXDY-UHFFFAOYSA-N 298.346 1.140 0 50 CDAA CC[C@@H]1C[C@@H](C(=O)N2CCc3n[nH]cc3C2)CCO1 408159132 PNHZPKVKBJIICN-CMPLNLGQSA-N 263.341 1.500 0 50 CDAA CCc1csc(S(=O)(=O)NC(=O)C2(C)CC2)n1 408491695 BFGBAGMVAKPGQV-UHFFFAOYSA-N 274.367 1.311 0 50 CDAA COc1cc(CCN=c2nc(C)[nH]s2)ccn1 408524373 SWQYMEHYLOHEJR-UHFFFAOYSA-N 250.327 1.327 0 50 CDAA CC(C)(C)n1nnnc1CN1CCCCC[C@H]1CO 585090903 YZCISZVCNUDIBI-NSHDSACASA-N 267.377 1.165 0 50 CDAA CCC[C@@H](C)CN1CC[C@@H](S(=O)(=O)NCC)C1 221755467 ZJXKONBRHZRZMI-VXGBXAGGSA-N 262.419 1.436 0 50 CDAA CN(Cc1ccns1)CC(C)(C)CN1CCOCC1 585117451 DOIIKFZVNQGQPG-UHFFFAOYSA-N 283.441 1.933 0 50 CDAA COC[C@@H]1CN(Cc2cc[nH]c2)C[C@H]1c1cnn(C)c1 585655614 KCMNSOAKDSCQJS-GJZGRUSLSA-N 274.368 1.610 0 50 CDAA O=C(Nc1ncccc1Cl)c1cn(C2CC2)nn1 637068668 OTDYVUFZNBXAKO-UHFFFAOYSA-N 263.688 1.914 0 50 CDAA CC(=O)N=c1cc[nH]cc1NC(=O)[C@H]1Cc2ccc(F)cc21 684474961 OVXVQSQKNSMPOY-ZDUSSCGKSA-N 299.305 1.879 0 50 CDAA 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1.214 0 50 CDAA OCCNc1ncncc1-c1nc(C2CCCCC2)no1 263619248 XRRMNUMTNVTTBM-UHFFFAOYSA-N 289.339 1.979 0 50 CDAA O=C(O)COc1ccccc1CN1CCc2nocc2C1 534672606 OWKYBDVQNRQVQH-UHFFFAOYSA-N 288.303 1.696 0 50 CDAA Cc1cccnc1C[C@H](C)N(C)CCC(=O)NC1CC1 299787385 WHCABHJMAALQHO-ZDUSSCGKSA-N 275.396 1.922 0 50 CDAA COc1cc(CN2CC[C@H](CO)[C@H](O)C2)ccc1C 564220712 OMAORAJSPVEEGY-ZIAGYGMSSA-N 265.353 1.179 0 50 CDAA Cc1ccccc1CC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 659777833 KDPXQDNWMZESKF-CZUORRHYSA-N 289.331 1.097 0 50 CDAA Cc1cccnc1NCCNC(=O)[C@H](C)Cn1cccn1 827628012 JVQOKJAAQBQAFD-CYBMUJFWSA-N 287.367 1.451 0 50 CDAA CC(=O)NCCCC(=O)Nc1ccc2c(c1)C[C@H](C)O2 828059981 NBNSPLNAKHFLSI-JTQLQIEISA-N 276.336 1.865 0 50 CDAA Cc1nc(C)c(C(=O)N(C)Cc2c(C)nn(C)c2C)o1 584893928 ZDUNBJYUTGFUJE-UHFFFAOYSA-N 276.340 1.914 0 50 CDAA O=C(O)c1nc(Br)cnc1Br 66351296 MJOLIBQBOIULPY-UHFFFAOYSA-N 281.891 1.700 0 50 CDAA in-vitro Cc1cc(N2CCN[C@H](c3ccccc3)C2)ncn1 685945047 QKNASVCWSGQZFC-AWEZNQCLSA-N 254.337 1.936 0 50 CDAA Cc1cc2c(N3CC(Nc4nccs4)C3)nccn2n1 1559303883 WZTYWOCALURDDJ-UHFFFAOYSA-N 286.364 1.795 0 50 CDAA O=C(C[C@@H](O)C1CCCC1)N1CCc2n[nH]cc2C1 1875274225 WEPNJDTWZOYZBD-CYBMUJFWSA-N 263.341 1.236 0 50 CDAA CCCCC[C@H]1NC(=O)[C@H](CCC(F)(F)F)NC1=O 1875281333 IHBZLYZVNCMQOB-BDAKNGLRSA-N 280.290 1.892 0 50 CDAA C[C@H]1CC[C@H](CS(=O)(=O)N2CCCc3n[nH]cc32)O1 1875298116 ORTBVJDUTKPRJS-VHSXEESVSA-N 285.369 1.060 0 50 CDAA Cc1csc(-c2cccc(C(=O)NS(C)(=O)=O)c2)n1 1875390964 AOTBEUAHIHWKOV-UHFFFAOYSA-N 296.373 1.808 0 50 CDAA C=CC(=O)NCC(F)(F)c1n[nH]c2c1CCCC2 1875376382 VEJQQWZEAZFKSJ-UHFFFAOYSA-N 255.268 1.683 0 50 CDAA CC[C@@H](C(=O)O)N(CC)C(=O)[C@@H]1C[C@H]1[C@@H]1CCCO1 1875334473 PCAUGXOGGVXCDS-WYUUTHIRSA-N 269.341 1.513 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCC23CCC3)CC1 1875366807 CIWBINDIOFGYAZ-UHFFFAOYSA-N 262.353 1.566 0 50 CDAA C[C@@H](CC(=O)NS(C)(=O)=O)c1ccc(F)cc1F 1875390215 RKUCCSWSTZZBPV-ZETCQYMHSA-N 277.292 1.534 0 50 CDAA Cn1nccc1C(=O)N(Cc1cccc(O)c1)C1CC1 952968431 MSDDVFUNMUZKFZ-UHFFFAOYSA-N 271.320 1.931 0 50 CDAA CCO[C@@]1(c2nnc(-c3cncn3C)o2)CCOC1 886082287 SWQBHCPCIJRFTL-LBPRGKRZSA-N 264.285 1.122 0 50 CDAA CC[C@H]1C(=O)NCCN1Cc1cn(C)nc1C1CCCC1 891922579 FWKFQQAXKJYWRN-AWEZNQCLSA-N 290.411 1.788 0 50 CDAA O=C(O)[C@@H]1CCN1S(=O)(=O)c1cc2ccccc2s1 899923587 JHEJDZMIKCOMCH-VIFPVBQESA-N 297.357 1.749 0 50 CDAA C=CC(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 1338394428 KWDRUKKBWIFSCO-OAHLLOKOSA-N 274.364 1.498 0 50 CDAA CC(C)(C)OC(=O)NC1(C2=NCCCN2)CCC1 1535645494 GWYPWTNJEFHGDS-UHFFFAOYSA-N 253.346 1.826 0 50 CDAA CC(C)(C)c1ccccc1NC(=O)N[C@H]1CNCC[C@@H]1O 1565531388 YDZAOZXLQJRQKZ-KBPBESRZSA-N 291.395 1.828 0 50 CDAA N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)c1scc2c1CCCC2 1565506556 MHVIPXFLFRDSQA-RNJOBUHISA-N 292.404 1.471 0 50 CDAA COc1cc(C)cc(NS(=O)(=O)c2ccnn2C)c1C 278535590 MCKOLAUXVIAFHH-UHFFFAOYSA-N 295.364 1.846 0 50 CDAA O=C(CCc1cnccn1)N(C[C@H]1CCOC1)C1CC1 280668916 UBMLOISKMSNAOQ-GFCCVEGCSA-N 275.352 1.437 0 50 CDAA Cc1ccc2ncnc(N(C)CC3(O)CCOCC3)c2c1 186762263 LIBMTNUTNMDZCA-UHFFFAOYSA-N 287.363 1.916 0 50 CDAA COC(CN1CCNC(=O)[C@@H]1c1ccc(F)cc1C)OC 189206693 DOGOLNLMGXXYDT-AWEZNQCLSA-N 296.342 1.226 0 50 CDAA CC(C)(O)[C@H]1CCCN1C(=O)C[C@@](C)(O)C1CC1 408039504 VYFDSFXDODXYRS-BXUZGUMPSA-N 255.358 1.299 0 50 CDAA Cc1nc[nH]c1CNC(=O)[C@@H]1CCCO[C@@H]1C(C)C 408474845 SWVZEGDEPDTZDN-DGCLKSJQSA-N 265.357 1.786 0 50 CDAA COC(=O)c1cnnc(N2C[C@H](C)O[C@H](C3CC3)C2)c1 408524224 RGXKUVQUDQTEIN-CABZTGNLSA-N 277.324 1.267 0 50 CDAA N=c1[nH]nc(S(=O)(=O)CCCc2ccccc2)s1 408514972 IMFCTBLWIGNVKL-UHFFFAOYSA-N 283.378 1.357 0 50 CDAA Cc1nc(O)nc(O)c1NC(=O)c1cnc2ccccc2n1 408513110 PVDHOYBBFUKZMS-UHFFFAOYSA-N 297.274 1.392 0 50 CDAA O[C@@H](CN1CCSC2(CCOCC2)C1)CC(F)(F)F 189989000 XUPVMLVRJWPQID-SNVBAGLBSA-N 299.358 1.898 0 50 CDAA COC(=O)[C@@H](C)N(C(=O)c1cscn1)C1CCC1 190368615 CYRWFKQKIAKNQA-MRVPVSSYSA-N 268.338 1.699 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(Cn2cncn2)CC1 190518251 BWJNFSHAXUYAJX-JSGCOSHPSA-N 292.383 1.332 0 50 CDAA CO[C@@H]1CN(C(=O)[C@H](C)C(=O)OC(C)(C)C)CC[C@H]1C 413743408 OVBXDSWHFULEAR-GRYCIOLGSA-N 285.384 1.848 0 50 CDAA Cn1cc(C(=O)NC2(C(=O)O)CCCCCC2)ccc1=O 191243289 CBVZRXVADZXJMZ-UHFFFAOYSA-N 292.335 1.293 0 50 CDAA O=C1CNC(=O)N1CCN[C@H]1CCCNc2ccccc21 193286501 QRDTUFYAVDAYMV-ZDUSSCGKSA-N 288.351 1.075 0 50 CDAA NC(=O)C1(NCCCc2ccc3c(c2)CCO3)CC1 193312755 CWHXQHHFHBPCIX-UHFFFAOYSA-N 260.337 1.162 0 50 CDAA N[C@@H]1CCCN(C(=O)COc2cccc(F)c2)C1 195107580 KAPSEGSMYGXLGN-LLVKDONJSA-N 252.289 1.154 0 50 CDAA CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1N[C@@H](C)CCOC 656857398 CCROIRFMOYZZDM-SLEUVZQESA-N 294.399 1.237 0 50 CDAA C[C@@H]1CCCCN1CCCNC(=O)C1(C(=O)O)CC=CC1 663100901 LKEUNZVYONUPBB-CYBMUJFWSA-N 294.395 1.788 0 50 CDAA CON(C)C(=O)CNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 585087409 OJRDUFZOBYSSNM-WDEREUQCSA-N 270.373 1.585 0 50 CDAA Cc1nc(COC(=O)Cc2ccc(C(N)=O)cc2)oc1C 585079407 XXNBOEQSPOHGFK-UHFFFAOYSA-N 288.303 1.676 0 50 CDAA OCc1ccnc(N2CC[C@](O)(c3ccc(F)cc3)C2)c1 585132930 HPDHNHOHDQYOIA-MRXNPFEDSA-N 288.322 1.811 0 50 CDAA CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)ccn1C 585125526 WJVOGMSDVAVYAX-SNVBAGLBSA-N 266.297 1.319 0 50 CDAA NC(=O)c1ccc(C(=O)Nc2ccccn2)nc1Cl 774322665 LLYZCPHFCZKMQT-UHFFFAOYSA-N 276.683 1.481 0 50 CDAA CNC(=O)C1(NC(=O)c2ccc3cc[nH]c3n2)CCCC1 779511539 QYMCHXVDXBDJIV-UHFFFAOYSA-N 286.335 1.352 0 50 CDAA CS(=O)(=O)N1CCCC[C@@H]1CCNc1cnccn1 1506429408 UJIHACTWUCKZQM-LLVKDONJSA-N 284.385 1.093 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3nccn3C)C[C@@H]21 1704343467 HRVXQARWKQOFLK-VNHYZAJKSA-N 263.385 1.793 0 50 CDAA COc1ccc(Cl)cc1[C@@H](C)NCCS(N)(=O)=O 1615057038 OXJWBXBEFUOVRH-MRVPVSSYSA-N 292.788 1.288 0 50 CDAA O=C(Cn1ccnc1-c1nccs1)N1CCCC1 1875249717 SHWRKJAHGKZCRR-UHFFFAOYSA-N 262.338 1.629 0 50 CDAA CN1CCN(Cc2ccc(F)c(Cl)c2)C[C@@H]1CO 216466548 IZSSHQHTOUHKLC-LLVKDONJSA-N 272.751 1.587 0 50 CDAA Cc1cnc(CNC(=O)c2ccc(N)nc2)c(C)c1O 218932983 NHUUDEZGAHUFMM-UHFFFAOYSA-N 272.308 1.311 0 50 CDAA C[C@H]1C(=O)N2CCC[C@@H]2CN1c1nc(-c2ccccc2)no1 1772704713 SKEWZWOYZGPFIQ-WCQYABFASA-N 298.346 1.936 0 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GVCJBDMXBYBJDJ-ZIAGYGMSSA-N 298.427 1.672 0 50 CDAA CCCCc1nc(Cn2nc(C)c(C)c(CO)c2=O)no1 253428915 LSCVTTONGCPLLL-UHFFFAOYSA-N 292.339 1.126 0 50 CDAA Cc1nc([C@H]2COCCN2C(=O)Cc2ccccc2)no1 369281094 VCKCTDIYFVMDKI-CYBMUJFWSA-N 287.319 1.521 0 50 CDAA CC1(c2ccccc2)CC(NC(=O)[C@@H]2C[C@@H]2C(=O)O)C1 263580228 VRLZTRFWDRXKPX-WULFKBJJSA-N 273.332 1.944 0 50 CDAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C 479679 IAJUNHFBXOPERJ-NSHDSACASA-N 285.365 1.461 0 50 CDAA c1cnc(N2CCN(Cc3cccs3)CC2)nc1 22591205 TUKLFXCFTQEXKG-UHFFFAOYSA-N 260.366 1.860 0 50 CDAA C[C@H]1CN(C(=O)COc2ccccc2F)C[C@@H](C)N1 153743993 KFKONPWBHAMQNS-PHIMTYICSA-N 266.316 1.413 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)[C@@H]1CNC[C@H]1C(F)(F)F 299740771 BRPFVCZMGWZQKO-HTQZYQBOSA-N 276.262 1.363 0 50 CDAA CC(C)=CCC[C@H](C)NCc1noc(C(N)=O)n1 534591942 OREJNFGNGDMYDH-VIFPVBQESA-N 252.318 1.393 0 50 CDAA Cc1cccc(C(=O)N2CC[C@@H]3NCCC[C@@H]3C2)c1O 715024618 WHIKPRMAWLWMSP-OCCSQVGLSA-N 274.364 1.915 0 50 CDAA COC(=O)c1cc(N2CCNCC2)nc2ccccc12 33812 RYPDJGVKFIXLDP-UHFFFAOYSA-N 271.320 1.431 0 50 CDAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NCc2nn[nH]n2)o1 2325726872 PBPMVWDDLFTUHL-XFWSIPNHSA-N 287.323 1.336 0 50 CDAA COC(=O)C[C@@]1(C)NN=C(c2ccccc2)S1 366890 OVPZUEOSSQZWNB-LBPRGKRZSA-N 250.323 1.964 0 50 CDAA Cc1ccc(C)c(N(CC(=O)O)S(C)(=O)=O)c1 379832 BDEZTHAKRNQYHQ-UHFFFAOYSA-N 257.311 1.154 0 50 CDAA CN(CC(=O)O)S(=O)(=O)c1ccc(F)c2ccccc12 381817 HHJDKKJPDLKEDN-UHFFFAOYSA-N 297.307 1.684 0 50 CDAA Cc1cc(N2C[C@H]3[C@@H](CN(C)C)[C@@H]4CC[C@@]3(C2)O4)ncn1 2356136200 KKFYLOBVSZXAHP-HOSILWTGSA-N 288.395 1.330 0 50 CDAA O=C1CCC(=O)N1NC(=O)C12CC3CC(CC(C3)C1)C2 4301489 JNPHFFQGRIRSOE-UHFFFAOYSA-N 276.336 1.383 0 50 CDAA C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2C(N)=O)C1 6725558 UEIASVUCIDAPRA-RYUDHWBXSA-N 289.379 1.702 0 50 CDAA Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CCc1ccoc1 346058621 BKBWLEJMBDFNSC-JSGCOSHPSA-N 289.335 1.592 0 50 CDAA CCCONC(=O)Cn1c(=O)sc2ccccc21 23115301 KKIYWFVMNJEYDZ-UHFFFAOYSA-N 266.322 1.521 0 50 CDAA 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COc1cccc(OC)c1CNC(=O)/C=C/CN(C)C 1875376877 LRPBNNFLOUIXMQ-RMKNXTFCSA-N 278.352 1.438 0 50 CDAA COCCc1nsc(NCCc2ccc(O)nc2)n1 882538121 YVYQITRQUHFRIP-UHFFFAOYSA-N 280.353 1.482 0 50 CDAA Cc1nc[nH]c1CN[C@@H]1CCCN(C(=O)c2ccco2)C1 952968476 MEILGBGQVFKRLQ-GFCCVEGCSA-N 288.351 1.706 0 50 CDAA Cc1cc(N2C[C@H](c3cnn(C)c3C)[C@@H](C(N)=O)C2)ccn1 886079875 ALEMIMOIHZYWBY-CABCVRRESA-N 299.378 1.137 0 50 CDAA COc1ccc(C(=O)N2CCC[C@@H](O)CC2)cn1 244873335 WOJHSEFYIHWAAY-LLVKDONJSA-N 250.298 1.077 0 50 CDAA C[C@H]1C[C@H](CCNC(=O)N2C[C@H](F)[C@H](F)C2)CCO1 1775987816 PNINJBLLYXXMGY-WHOHXGKFSA-N 276.327 1.893 0 50 CDAA COCc1cn([C@@H]2CCOc3ccc(OC)cc32)nn1 899719881 ZAVLEPUCZABFOW-CYBMUJFWSA-N 275.308 1.805 0 50 CDAA Cc1cccc(N2CCN(c3ccc4nncn4n3)CC2)n1 274684684 YAORCBWRQONFGG-UHFFFAOYSA-N 295.350 1.154 0 50 CDAA CN(C)c1cccc(NC(=O)c2ccc(=O)[nH]n2)c1 169818530 ZKBDWVZIVCLWLY-UHFFFAOYSA-N 258.281 1.088 0 50 CDAA CC(C)(C)OC(=O)N1CCn2ncc(C(=O)O)c2C1 91303727 XFFLLSTVIDHWSN-UHFFFAOYSA-N 267.285 1.332 0 50 CDAA in-vitro COC[C@H]1[C@@H](NC(=O)c2cncc(Cl)c2)[C@H]2CCO[C@H]21 1074566445 IDROYAFRMXKYKA-MROQNXINSA-N 296.754 1.515 0 50 CDAA CC[C@@H]1OCCC[C@@H]1C(=O)N1CCC(O)(COC)CC1 408387171 QRJSOSNWRVOYBG-STQMWFEESA-N 285.384 1.192 0 50 CDAA CN(C)CCCC(C)(C)NC(=O)c1ccc(C(N)=O)cc1 408520763 WBGHPPKCDKCRLT-UHFFFAOYSA-N 291.395 1.636 0 50 CDAA Cc1noc2ncnc(N3CC[C@]4(CCOC4)C3)c12 193399066 BAJOBSUWDKOSOI-ZDUSSCGKSA-N 260.297 1.543 0 50 CDAA Cc1ccc([C@@H]2CCCN2Cc2cn(CC(=O)O)nn2)o1 563816200 ANIVONWLNJKHFY-LBPRGKRZSA-N 290.323 1.601 0 50 CDAA COc1ccc2c(n1)N(C(=O)c1ccsn1)CC2 572098601 NKISXTMMKFTKOI-UHFFFAOYSA-N 261.306 1.750 0 50 CDAA CO[C@H]1CCCN(C(=O)C[C@H]2NCc3ccccc32)C1 662443057 ZEWFXQQEGFVEEW-DZGCQCFKSA-N 274.364 1.858 0 50 CDAA CCc1nc(CCNC(=O)C2(N(C)C)CC2)cs1 667921461 GALVUTOPYGLILS-UHFFFAOYSA-N 267.398 1.458 0 50 CDAA CCNC(=O)CCS(=O)(=O)C/C(C)=C/Cl 798199713 JDTYUSVRALMFMU-SOFGYWHQSA-N 253.751 1.070 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNc2nccnc2OC)CC1 1506423974 GZZMDWJMQCELPW-XYPYZODXSA-N 278.356 1.450 0 50 CDAA CN(C)c1ncccc1-c1ccc(CS(C)(=O)=O)cn1 1875248266 GZMMGZSRSRKTNQ-UHFFFAOYSA-N 291.376 1.754 0 50 CDAA CCC[C@]1(CO)CCN(Cc2nnc(C)s2)C[C@H]1O 1875248785 OOUAKDIRLVEMOK-DGCLKSJQSA-N 285.413 1.192 0 50 CDAA C[C@H](NC(=O)C(=O)c1ccc(F)cc1)[C@H](C)C(=O)O 1614994327 GUFTZVWFEDTFDC-YUMQZZPRSA-N 267.256 1.234 0 50 CDAA CC(=O)Nc1ccc(C(=O)NC[C@@H]2CC[C@H](C)N2C)nc1 1615622355 JIGBAMOQEHRERD-GWCFXTLKSA-N 290.367 1.253 0 50 CDAA CC(C)n1ncc(C(=O)N2CCNCC2)c1C(F)(F)F 236726631 ZZBLORAZCVZBTR-UHFFFAOYSA-N 290.289 1.528 0 50 CDAA CC=CCS(=O)(=O)[C@H](C)C(=O)N1CCC(C)CC1 1857532109 CSJDFLGUXJUODS-GFCCVEGCSA-N 273.398 1.624 0 50 CDAA COc1cnc(C)cc1-c1nc(C)nn1-c1ccnn1C 1857675573 DRRJIOSDEKLCTD-UHFFFAOYSA-N 284.323 1.688 0 50 CDAA Cc1nc(O)cc(CNC(=O)c2ccc(C)s2)n1 1857705324 BZVUQUPYYUVAKA-UHFFFAOYSA-N 263.322 1.791 0 50 CDAA COCC(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 12717621 DPXOMLCCHFOFMX-ZDUSSCGKSA-N 280.343 1.553 0 50 CDAA O=c1/c(=C\c2cccnc2)sc2nc3ccccc3n12 12956883 YAQCZGWDGGQMPX-MDWZMJQESA-N 279.324 1.852 0 50 CDAA CN1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1 19868135 LKHBZHSHFLHTGM-UHFFFAOYSA-N 293.436 1.600 0 50 CDAA COc1cc(OC)cc(C(=O)/C=C/[C@@H]2COCO2)c1 2519617 CCKQSOIWFIRDET-PGLGOXFNSA-N 264.277 1.816 0 50 CDAA COc1ccc(C)nc1N1CCC[C@@]2(CC1)CNC(=O)O2 1857678751 AGDGSBLUIVLEEB-OAHLLOKOSA-N 291.351 1.868 0 50 CDAA CC1(C)CN(C(=O)CCc2cnn[nH]2)[C@H]2CCC[C@H]21 633214124 QCVGVJYVQBQZPJ-NEPJUHHUSA-N 262.357 1.774 0 50 CDAA O=C(NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 101617579 VQHBAGIKUUNGTF-VXGBXAGGSA-N 270.288 1.283 0 50 CDAA C[C@H]1C[C@H](N)CCN1C(=O)c1ccc2c(c1)CCC(=O)N2 227289224 UNLYQUJEISMASP-GXFFZTMASA-N 287.363 1.523 0 50 CDAA O=C(c1ccc2c(n1)OCCO2)N1CC[C@@H]2CCC[C@@H]21 655010578 FBTNZFYZPAVZSY-JQWIXIFHSA-N 274.320 1.867 0 50 CDAA C=CC(=O)NCCc1nccn1Cc1ccccc1 820437567 XXMNPSGTPXFQRI-UHFFFAOYSA-N 255.321 1.776 0 50 CDAA Cc1nnc(CN2CCC[C@H](c3ccn(C)n3)C2)o1 932137428 VRUAFBYMMNBLSP-NSHDSACASA-N 261.329 1.491 0 50 CDAA CCO[C@H]1CCCN(C(=O)c2ccn(C)c(=O)c2)C1 144141712 JAGGSNHPLQASJM-LBPRGKRZSA-N 264.325 1.026 0 50 CDAA CC[C@@H]1CN(C(=O)[C@@H](CN)c2ccccc2)C[C@H](C)O1 269263568 SOAQWOOXMRAHPK-CFVMTHIKSA-N 276.380 1.755 0 50 CDAA c1coc(-c2nnc(CN3CCN(C4CC4)CC3)o2)c1 195221622 QHFMIJLLKPQPCM-UHFFFAOYSA-N 274.324 1.610 0 50 CDAA Cc1nn(C[C@H](O)Cn2cccn2)c(C)c1Br 330364449 OHUSZCLGSKZUGF-SNVBAGLBSA-N 299.172 1.520 0 50 CDAA O=C(NCCCc1cccnc1)N1CCC[C@H](O)C1 426397342 DTHRDHPTSIHMRK-ZDUSSCGKSA-N 263.341 1.181 0 50 CDAA OC[C@]1(F)CCN(Cc2ccc3c(c2)CCO3)C1 338999201 PSWPWLNBWNHEMG-AWEZNQCLSA-N 251.301 1.528 0 50 CDAA Cn1[nH]c(-c2cccc(C(=O)N3CCCCC3)c2)nc1=O 2100544700 FXMMPTBHTKXRFM-UHFFFAOYSA-N 286.335 1.402 0 50 CDAA C[C@H]1CCn2nccc2N1C(=O)CN1CCCCCC1=O 2325805765 UUGOSHOQBGQNNN-LBPRGKRZSA-N 290.367 1.411 0 50 CDAA Cc1cn2cc(-c3cn(C)c(=O)cc3N)cc(F)c2n1 2325852925 YPEFUEXUTNDSKE-UHFFFAOYSA-N 272.283 1.730 0 50 CDAA O=C(CCC(F)(F)F)N[C@H]1C[C@H]2C[C@@H](C(=O)O)C[C@@H]12 907942429 XBXVRCWEAWNPPQ-BGZDPUMWSA-N 279.258 1.944 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 38971 IADDQBQLLLTVFG-UHFFFAOYSA-N 256.327 1.332 0 50 CDAA CC1(C)C(c2ccccn2)=[N+]([O-])[C@@H](c2cccnc2)N1O 437401 HERLXZLGBGRHMD-CQSZACIVSA-N 284.319 1.958 0 50 CDAA CC(C)CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 470631 HHYJNUOEZXDVOY-UHFFFAOYSA-N 284.381 1.468 0 50 CDAA O=S1(=O)C=C(S(=O)(=O)c2ccccc2)CC1 1319024 LTSCPMPPJDLHBP-UHFFFAOYSA-N 258.320 1.120 0 50 CDAA CO[C@H]1C[C@@H](CN(C)Cc2nnc(C)n2C2CC2)N(C)C1 345148793 RKFWKKWGIHMSMO-KBPBESRZSA-N 293.415 1.072 0 50 CDAA COc1cccc(NC(=S)NN2CCN(C)CC2)c1 8578404 MGZLSIHNPNDFJD-UHFFFAOYSA-N 280.397 1.144 0 50 CDAA CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 22606519 UNUSSMYWOQFGOK-UHFFFAOYSA-N 294.735 1.309 0 50 CDAA Cc1cc2c(c(C)c1Cl)N(CC(=O)O)C(=O)CO2 9134530 SUZXIGFIHWADFB-UHFFFAOYSA-N 269.684 1.767 0 50 CDAA CC(=O)c1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 9329657 RGMKKWRJRZZDQG-SNVBAGLBSA-N 291.332 1.384 0 50 CDAA CC[C@@H](CN1CCCN(c2ccc(C)nn2)CC1)OC 419213480 LJMTZOIAXJRSPN-AWEZNQCLSA-N 278.400 1.722 0 50 CDAA CC[C@@]1(CO)CCCN(C(=O)Nc2nncs2)C1 55307820 IZBIYQOSNROPDP-LLVKDONJSA-N 270.358 1.555 0 50 CDAA O=C(Nc1ccncc1F)N[C@H]1CC[C@H](O)CC1 248729912 MEEOMLKVBSENRO-KYZUINATSA-N 253.277 1.646 0 50 CDAA CC(C)(C)OC(=O)N[C@]1(C(F)(F)F)CCNC1 25336429 CBRWRWRFOZZKCN-SECBINFHSA-N 254.252 1.806 0 50 CDAA O=C(O)c1cc2c(N3CCOCC3)ncnc2s1 20156516 KOSBICJGXXIVJV-UHFFFAOYSA-N 265.294 1.226 0 50 CDAA CC(C)Cc1cc(C(=O)NCCN2CCCOC2=O)on1 65370845 ICEFCUPRXOSYOO-UHFFFAOYSA-N 295.339 1.445 0 50 CDAA NCC(=O)N1CCc2onc(-c3ccccc3F)c2C1 67867781 PWEGIDQUMDCAJN-UHFFFAOYSA-N 275.283 1.324 0 50 CDAA O=C(c1cccc2nccnc12)N1[C@H]2CC[C@@H]1CCNC2 65386184 WNUMTIBERSFZHJ-NEPJUHHUSA-N 282.347 1.596 0 50 CDAA CCN1CCN(C(=O)CCc2ccc(OC)cc2)CC1 20166244 VSZAMQCWTOWIFP-UHFFFAOYSA-N 276.380 1.792 0 50 CDAA COc1nc(C)c(C(=O)NCC[C@@H]2CCCN(C)C2)s1 67559556 DTKUEECRBLZUEO-NSHDSACASA-N 297.424 1.922 0 50 CDAA CC[C@H](O)CNc1nc(CCN)nc2ccccc12 65403318 BTSVWDRXISMOBW-JTQLQIEISA-N 260.341 1.314 0 50 CDAA CC(C)COc1ncccc1C(=O)N1CCNCC1 236661400 BVMWWJAYAHMRFH-UHFFFAOYSA-N 263.341 1.162 0 50 CDAA C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 173149260 ZWACEQZNPOVOKG-ZIAGYGMSSA-N 293.411 1.925 0 50 CDAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1Cc1cc(C(C)C)no1 67819837 MQHWXMGYJWLBFP-FZMZJTMJSA-N 294.399 1.224 0 50 CDAA COC(=O)[C@H](C)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 328588574 IPCOAYZEVMCRJJ-CWRNSKLLSA-N 288.391 1.612 0 50 CDAA C[C@@H](c1nc(CCc2ccccc2)n[nH]1)n1cncn1 65528523 APJKPYZSRUSLEE-NSHDSACASA-N 268.324 1.791 0 50 CDAA CN(C)c1ccnc(C(=O)N[C@H]2C[C@H](N)C2(C)C)c1 864091919 JJPURZDWXFGCHD-RYUDHWBXSA-N 262.357 1.003 0 50 CDAA CC[C@@H](NC(=O)C1(COC)CCC1)c1ccnn1C 65399028 IXRZTFGCMTYOIQ-LLVKDONJSA-N 265.357 1.804 0 50 CDAA Cc1ncc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c(C)n1 257667656 GBYWTPUTSABIRP-ZJUUUORDSA-N 263.297 1.077 0 50 CDAA Cn1nccc1C1=CCN(C(=O)NCC2(N)CCC2)CC1 333478082 BSGQFHAEOJBMFF-UHFFFAOYSA-N 289.383 1.100 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1cc(-c2ccncc2)on1 124865547 KZSXORZRLMOCQF-SNVBAGLBSA-N 272.308 1.171 0 50 CDAA O=C(NC[C@H]1CCCC[C@@H]1O)c1cccnc1S 155797746 LJNGCVXUBJMLFX-KOLCDFICSA-N 266.366 1.651 0 50 CDAA Nc1noc2c1nnc1c(-c3ccccc3)cnn12 72406683 BNGNLAZWLNKRFO-UHFFFAOYSA-N 252.237 1.515 0 50 CDAA COCc1nocc1C(=O)N[C@@H]1CCC[C@H]1OC(F)F 488578105 YLFYURDHJVPAPV-PSASIEDQSA-N 290.266 1.711 0 50 CDAA CN(C(=O)c1nccn1C)[C@H]1CCOC(C)(C)C1 215353427 CMVJURWRDGNNJX-JTQLQIEISA-N 251.330 1.450 0 50 CDAA c1ccc(CN2CCO[C@@H](CN3CCCC3)C2)cc1 71619122 ZMCFQWJMHRVTFS-INIZCTEOSA-N 260.381 1.983 0 50 CDAA O=C(c1ccoc1)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 286285635 MOBKXKGBJPDUIO-YNEHKIRRSA-N 265.309 1.282 0 50 CDAA CC(C)(C)OC(=O)NCCCNc1cc(F)ncn1 229975841 SDORKDHARFWEQC-UHFFFAOYSA-N 270.308 1.942 0 50 CDAA CC1=NO[C@@H](C(=O)NCCOc2cccc(C(=O)O)c2)C1 426548795 OGPMDXLEBBQIOR-GFCCVEGCSA-N 292.291 1.045 0 50 CDAA Cc1nc([C@H]2CCOC2)cc(N(C)CCCN(C)C)n1 426574911 LYSFRDFDOWJENZ-ZDUSSCGKSA-N 278.400 1.677 0 50 CDAA Cc1ncn(CCNC(=O)c2cc(C)n(C)c2C)c1C 220260126 IXOIBMNSHBAYPU-UHFFFAOYSA-N 274.368 1.885 0 50 CDAA Cc1ccc(F)cc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225786702 PDOYOFIPRBTXAS-LPWJVIDDSA-N 291.278 1.727 0 50 CDAA COc1cc(C)ccc1C(=O)N(CCN(C)C)CC(=O)O 426618393 TWBNXGKXNKBMHY-UHFFFAOYSA-N 294.351 1.092 0 50 CDAA CCO[C@@H](C)C(=O)NCc1cc(C(C)(C)C)n[nH]1 426531515 ARLFISBFDGIRKL-VIFPVBQESA-N 253.346 1.748 0 50 CDAA O=C(c1cn[nH]c1)N1CC(OCCCc2ccccc2)C1 267504092 JUXKBAMFCVOPAC-UHFFFAOYSA-N 285.347 1.884 0 50 CDAA CCC(=O)N1CC[C@H](NC(=O)c2ccccc2NC)C1 293638161 FWFLQKIVXPQPEW-NSHDSACASA-N 275.352 1.469 0 50 CDAA CNc1ncccc1C(=O)N1CCCC[C@H]1CCC(=O)O 426597246 OWONFDMVWZGEHQ-NSHDSACASA-N 291.351 1.983 0 50 CDAA CCn1cnnc1CCn1cc(-c2ccc(OC)nc2)nn1 95392435 JEETZKSJDOFGPC-UHFFFAOYSA-N 299.338 1.203 0 50 CDAA CO[C@H]1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 91820312 FOBNWYVEYJPPNM-LBPRGKRZSA-N 276.311 1.888 0 50 CDAA Cc1c[nH]c(C(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)n1 91269721 UPYUGMSSGOCWFH-HNNXBMFYSA-N 299.374 1.915 0 50 CDAA Cc1cnn(-c2ccc(C(=O)N3CC[C@H](N)C3)cc2)c1 237914594 QKWZOIFZTQWDQV-ZDUSSCGKSA-N 270.336 1.354 0 50 CDAA CCOc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)O)cc1OC 268930974 YEMVMLWONJCITH-MNOVXSKESA-N 293.319 1.431 0 50 CDAA C[C@@H]1CN(CCN2CCCC2=O)C[C@@]1(O)C1CCC1 91757581 GRZUKDIXUSEXPC-DOMZBBRYSA-N 266.385 1.092 0 50 CDAA COc1ccc(-n2ncnc2CCCC(=O)O)cc1 96162993 QKHLDJLXTQMXIT-UHFFFAOYSA-N 261.281 1.683 0 50 CDAA Cn1ccnc1-c1cn(CCNc2ccccc2)nn1 91873221 POKMVDIOTNBGOY-UHFFFAOYSA-N 268.324 1.791 0 50 CDAA Cc1cc(F)ccc1NC(=O)CN(C)Cc1cnccn1 244741932 NZHGNHYWUKSRMX-UHFFFAOYSA-N 288.326 1.995 0 50 CDAA Cc1cccc(OCC(=O)N[C@H]2CCSC2=O)c1F 182955670 IRFFSJFDTYONPE-VIFPVBQESA-N 283.324 1.661 0 50 CDAA CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H](C)N)C1 299738715 FMRYHZJVWARLMI-BFHYXJOUSA-N 267.417 1.447 0 50 CDAA Cc1cc(C)nc(N2CCN(C3CCOCC3)CC2)n1 267067317 QETYDQOGGLODTG-UHFFFAOYSA-N 276.384 1.394 0 50 CDAA CN(C)CC[C@H](NC(=O)c1cnn[nH]1)c1ccccc1 299794783 KKMZYHHTRKTJHE-LBPRGKRZSA-N 273.340 1.228 0 50 CDAA CC[C@@H](NC(=O)c1n[nH]nc1C)c1ccc(C)cn1 299789985 AEQMKLIJOZILIN-SNVBAGLBSA-N 259.313 1.698 0 50 CDAA O=C1C[C@H](C(=O)O)Cc2nc(NC(=O)C3CC3)sc21 299776820 HIEBMVDPONXCSG-ZCFIWIBFSA-N 280.305 1.321 0 50 CDAA CCCn1cnnc1[C@H](C)NS(=O)(=O)CCC 823031054 YRVMXYWZFRGGSI-VIFPVBQESA-N 260.363 1.079 0 50 CDAA CCc1nc(CN(C)C(=O)[C@@H](C)Cn2cccn2)no1 584887810 LRWOWYVLESXMHS-JTQLQIEISA-N 277.328 1.123 0 50 CDAA CCNC(=O)N1CCC(NC(=O)c2cc[nH]c2C)CC1 584890615 BZPNRDPHBCTVDZ-UHFFFAOYSA-N 278.356 1.247 0 50 CDAA O=c1c2nccnc2ncn1CCC[C@@H]1CCOC1 584902676 IYNVCNXGZWZHTP-SNVBAGLBSA-N 260.297 1.003 0 50 CDAA CN(CC1CCCC1)C(=O)[C@H]1CSC(C)(C)C(=O)N1 670471425 ANKVEHXUSQSMGH-LLVKDONJSA-N 284.425 1.645 0 50 CDAA CCN1C[C@H](CN(C)C2CSCCSC2)CC1=O 670453873 GETFFFKBSYWUPB-NSHDSACASA-N 288.482 1.635 0 50 CDAA CCC[C@@H](CNC(=O)[C@H]1CC[C@H](O)CC1)N(C)C 670455810 NIIRTVONXVWFAP-AVGNSLFASA-N 256.390 1.384 0 50 CDAA c1cn(-c2cc(N3CCC[C@H]3c3nc[nH]n3)ncn2)cn1 1875286894 LVWUBIIGKYQLAC-JTQLQIEISA-N 282.311 1.122 0 50 CDAA Cc1c(CN(C)c2cccc(C(N)=O)c2)cnn1C 1875308011 POLCWOMNYRAJJO-UHFFFAOYSA-N 258.325 1.464 0 50 CDAA CCc1nc([C@@H]2COC[C@@H]2Nc2nccn3cncc23)n[nH]1 1875398796 FKVSXUDBUCYKEY-ZJUUUORDSA-N 299.338 1.004 0 50 CDAA C[C@H](NC(=O)[C@H]1COc2ccccc2C1)[C@H](C)C(=O)O 132569583 BCZSRYHRZDFZBM-JBLDHEPKSA-N 277.320 1.463 0 50 CDAA CCC(CC)CN(CC)C(=O)c1cnn(CCO)c1 952995193 DDFREEIDPBMRKB-UHFFFAOYSA-N 267.373 1.774 0 50 CDAA C=CC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1 888102437 ZASKTGAALWPKMR-SECBINFHSA-N 265.338 1.506 0 50 CDAA CN(C)C(=O)NCc1cn(Cc2ccc(Cl)s2)nn1 899699898 SRCUJQNZQDZMQJ-UHFFFAOYSA-N 299.787 1.813 0 50 CDAA C[C@H](Cn1cnc2c(cnn2C)c1=O)NCc1ccccc1 583652278 LAZYHORRHVWRIB-GFCCVEGCSA-N 297.362 1.308 0 50 CDAA COC[C@@]1(C)NC(=O)N(Cc2ccc3ncccc3c2)C1=O 274499734 KFHWXIOLPLCPBX-MRXNPFEDSA-N 299.330 1.692 0 50 CDAA CN(c1ccn(C)n1)S(=O)(=O)c1ccc(C(F)F)o1 585119268 ZRWKSEMAFVSLGS-UHFFFAOYSA-N 291.279 1.776 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)CC(C)(C)C1 585131060 KHNUBICTCGDXSY-GMTAPVOTSA-N 295.383 1.763 0 50 CDAA CCOC(=O)c1cn2cccc(C(=O)OCC)c2n1 89201745 UILHKIXKQILPDY-UHFFFAOYSA-N 262.265 1.688 0 50 CDAA in-vitro Cc1[nH]cnc1CC(=O)N(C)[C@@H](C)c1cccnc1 278826280 JIYYHNKTYGLGRG-NSHDSACASA-N 258.325 1.875 0 50 CDAA CCn1c(S)nnc1CNC(=O)[C@H]1C[C@@H]1C1CC1 170655855 XOKZWZOVSBKZAX-BDAKNGLRSA-N 266.370 1.249 0 50 CDAA CC[C@H](NC(=O)c1c[nH]nn1)c1nc(C)cs1 170889339 RVPRQCWTWINXKV-ZETCQYMHSA-N 251.315 1.451 0 50 CDAA CO[C@H]1CCCN(C(=O)NCCc2nccs2)C1 171242029 POARVRGFYIMWMI-JTQLQIEISA-N 269.370 1.506 0 50 CDAA CCS(=O)(=O)c1ccc(CNC(=O)N2CCC2)s1 280518550 XMCJNWSSIBAYMJ-UHFFFAOYSA-N 288.394 1.457 0 50 CDAA C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)C1CC1 171672538 OLMCQDWXLCQZMW-LBPRGKRZSA-N 288.395 1.362 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N1CCN(Cc2ccon2)CC1 188247780 QMJFPHXXCQMDMQ-OCCSQVGLSA-N 293.367 1.134 0 50 CDAA Cc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)n(C)n1 188701832 LMGLWCICFMSYKN-YPMHNXCESA-N 279.384 1.910 0 50 CDAA O=CN1CCC[C@@H]1C(=O)N1CCOC2(CCCCC2)C1 408524124 YDBFTSDXJDDDGJ-CYBMUJFWSA-N 280.368 1.169 0 50 CDAA O=C(c1cc(O)nc(C2CC2)n1)N1CCOC[C@H]1C1CC1 553544420 JYRBWWRRFSXOTG-LBPRGKRZSA-N 289.335 1.311 0 50 CDAA CC(C)[C@H](O)Cc1cn([C@@H](C)c2ccccn2)nn1 640995014 DIRFPBBTOCPFDE-SMDDNHRTSA-N 260.341 1.842 0 50 CDAA COc1cccc([C@@H]2C[C@@H](O)CN2CCn2cccn2)c1 225727278 UTQJVISSKLDAJG-ZBFHGGJFSA-N 287.363 1.700 0 50 CDAA CC[C@H](C(=O)O)N1CCn2c(nnc2-c2ccccc2)C1 191438388 MEQFLDWRSSPNFW-GFCCVEGCSA-N 286.335 1.624 0 50 CDAA CC[C@@H](C(=O)O)N1CCN(C(=O)CC2CCCCC2)CC1 191415475 PXCGBAFDKRTRRF-AWEZNQCLSA-N 296.411 1.964 0 50 CDAA Cc1cnc(CNC2CCN(c3ccncc3)CC2)[nH]1 693470253 PTSBHOACIXEQDX-UHFFFAOYSA-N 271.368 1.872 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)Nc1nncn1C1CC1 568102413 RJEWMTDIPCUPLA-MNOVXSKESA-N 264.329 1.757 0 50 CDAA Nc1nc(NCc2nccn2C(F)F)c2ncnc-2[nH]1 758853042 OARCEIPETMGLEK-UHFFFAOYSA-N 280.242 1.090 0 50 CDAA Fc1cccc(CN2CCN([C@@H]3CCNC3)CC2)c1F 97619248 DAJGLCSMSPWILN-CYBMUJFWSA-N 281.350 1.444 0 50 CDAA Cc1cccc(NC(=O)CC(=O)NCc2nnc(C)o2)c1 1506407373 NQCAYBOJMCWJKJ-UHFFFAOYSA-N 288.307 1.331 0 50 CDAA Cc1ccc(I)c(C(N)=O)c1 85137 QHNNDPKSKWFGRH-UHFFFAOYSA-N 261.062 1.699 0 50 CDAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(CCO)CC2)O1 1857699420 TXESLBFVJPKQFS-CHWSQXEVSA-N 257.374 1.009 0 50 CDAA Cn1c(N2CCOCC2)nc2cc(C(=O)O)ccc21 1800411161 HBNNJYPNHSFCCZ-UHFFFAOYSA-N 261.281 1.108 0 50 CDAA Cc1cccnc1C(=O)N1C[C@H](O)[C@H](Cc2ccncc2)C1 1704280432 CWJOZBHBLDKPQI-CABCVRRESA-N 297.358 1.461 0 50 CDAA O=C(O)[C@H]1CN(CCCOCc2ccccc2)CC[C@H]1O 1704340166 WINFMJAJZPNKLF-LSDHHAIUSA-N 293.363 1.361 0 50 CDAA O=C(CNC1CC1)NC[C@H]1CCc2ccccc2O1 215385685 SJNBVYPBEOQNEZ-CYBMUJFWSA-N 260.337 1.248 0 50 CDAA CN(CCc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H](N)C1 237213572 VGRXXYFLSCMJRL-GXTWGEPZSA-N 264.344 1.954 0 50 CDAA Cc1noc(C)c1CN1CCC[C@@H](CS(C)(=O)=O)C1 216181359 QTUYMEXZUFEEDD-GFCCVEGCSA-N 286.397 1.548 0 50 CDAA CCCC[C@H](CO)Nc1nc(NC)ncc1OC 1623331663 MRKKUGDWODATMF-SECBINFHSA-N 254.334 1.490 0 50 CDAA C[C@](O)(CNCc1cccc2nsnc12)C1CC1 1614994479 VULNGMAFASHFCN-ZDUSSCGKSA-N 263.366 1.942 0 50 CDAA CC(C)n1nccc1C(=O)NC[C@H]1CCNCC1(F)F 1615555413 CZCWIWDLCMYDCA-SNVBAGLBSA-N 286.326 1.439 0 50 CDAA C[C@H]1CCC[C@H](C)N1C(=O)COc1cnnc2ccnn12 1615588595 RNAPZNYHUZWDEO-QWRGUYRKSA-N 289.339 1.293 0 50 CDAA C[C@@]12C[C@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cc1)C2 1772819241 QXLNAGBAKKQBOR-FZMZJTMJSA-N 279.361 1.572 0 50 CDAA COc1ccccc1CCC(=O)N1C[C@H]2C[C@H](O)[C@H]2C1 1772701163 IXYYUQFSXPEYRS-RDBSUJKOSA-N 275.348 1.467 0 50 CDAA O=C(CCCn1cccn1)N1CCC[C@@H](C2(O)CC2)C1 1772819123 FGRYZMAUBTXDQB-CYBMUJFWSA-N 277.368 1.427 0 50 CDAA CCn1ccc(C(=O)N2C[C@@H]3C[C@]3(CC)C2)cc1=O 1772818767 YDIORMFIUJBFFH-SWLSCSKDSA-N 260.337 1.740 0 50 CDAA Cc1cccn2cc(CN3C[C@H]4CCCN4C(=O)[C@@H]3C)nc12 1772706798 UKVVSMLNLZQVCA-DZGCQCFKSA-N 298.390 1.838 0 50 CDAA Cc1nsnc1C(=O)N1CC[C@@H](O)C[C@@H]1C1CC1 1772709461 PVVUXQGECCXYOW-NXEZZACHSA-N 267.354 1.222 0 50 CDAA C[C@]12C[C@H]1CN(S(=O)(=O)c1cnc3ccccn13)C2 1772813021 SZAUKTWTSPGKRS-GXFFZTMASA-N 277.349 1.365 0 50 CDAA O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 5017858 GAABDRSLTXUNQW-UHFFFAOYSA-N 260.698 1.731 0 50 CDAA CCCC[C@H](CCCc1c(O)nc(O)nc1O)C(=O)O 5591142 PDOCFQKZAQUNGN-MRVPVSSYSA-N 284.312 1.807 0 50 CDAA COC(=O)C1CCN(C(=O)c2cccs2)CC1 5669536 AXJFDBZELZYVTN-UHFFFAOYSA-N 253.323 1.773 0 50 CDAA Cc1cc(=O)[nH]c(SCC(=O)NC2CCCCC2)n1 13424179 KHHFQNJSIPILGF-UHFFFAOYSA-N 281.381 1.619 0 50 CDAA CC(C)(C)CN1CCN(C2CCOCC2)C[C@@H]1CCO 19227351 IAOFDBSFDXJGHE-HNNXBMFYSA-N 284.444 1.580 0 50 CDAA COCCN1C[C@H](c2nc(-c3cccs3)no2)CC1=O 19229373 KHVQUUCUCBSBNK-SECBINFHSA-N 293.348 1.760 0 50 CDAA CC[C@H](O)c1cn(Cc2ncc(C)c(OC)c2C)nn1 162807590 AVQMDTJMPLARPO-ZDUSSCGKSA-N 276.340 1.790 0 50 CDAA Cc1cc([C@H]2NC(=O)[C@@H](CCF)NC2=O)ccc1F 1857529195 DPAMBDCTPARTQO-GHMZBOCLSA-N 268.263 1.149 0 50 CDAA COC(=O)CCCC(=O)N[C@@H]1CCCc2c1c(C)nn2C 1857691923 GUZBTNWLNXMGPG-LLVKDONJSA-N 293.367 1.565 0 50 CDAA O=C1N[C@H]2C[C@@H]1N(Cc1ccc(-c3cccnc3)cc1)C2 1857679933 BCQXHWXDCGLQLC-HOTGVXAUSA-N 279.343 1.821 0 50 CDAA CO[C@H]1COC[C@@H]1n1ccnc1-c1nccs1 1875250306 NUUMASBETNZJHQ-IUCAKERBSA-N 251.311 1.593 0 50 CDAA O=C(Cc1cc[nH]n1)N1CCC[C@H]1c1ccccn1 608355597 XVNYWKANPBADMR-ZDUSSCGKSA-N 256.309 1.711 0 50 CDAA NS(=O)(=O)c1cc(Br)c(F)cc1F 2388321 VUBHGNHDBFATNY-UHFFFAOYSA-N 272.070 1.375 0 50 CDAA in-vitro CCC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cccnc1 119824484 IKRLKGGGTDEMET-AWEZNQCLSA-N 289.379 1.831 0 50 CDAA C[C@@H](C(=O)O)N1C(=O)c2ccc(Cl)cc2C1=O 5275165 DUGOCVXBUDCXAK-YFKPBYRVSA-N 253.641 1.409 0 50 CDAA c1cc(=N[C@H]2CCCOC2)[nH]c(NC[C@@H]2CCCS2)n1 328622259 BASPIKIIWPYHGZ-RYUDHWBXSA-N 294.424 1.797 0 50 CDAA CCCn1cc(C(=O)N2CCCC[C@H]2[C@@H]2CCNC2)cn1 333884063 WUVOMSSRRXJGII-HIFRSBDPSA-N 290.411 1.897 0 50 CDAA O=C(c1ccc(-n2cccn2)c(F)c1)N1CCNCC1 237909097 KSDXUKJOKRSCOE-UHFFFAOYSA-N 274.299 1.057 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2CCOC2)c2ccccc21 133876425 PJKYBXWICWPTCC-MWLCHTKSSA-N 261.277 1.238 0 50 CDAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccc[nH]1 252505326 LCOBCJUZIBNBLH-FSZOTQKASA-N 262.309 1.332 0 50 CDAA C[C@@H]1Cc2cc(S(=O)(=O)N(C)[C@H](C)C(=O)O)ccc2O1 261674516 KXKYPHNHDMQDKQ-RKDXNWHRSA-N 299.348 1.104 0 50 CDAA NC(=O)c1nc2cc(OC[C@@H]3CCCOC3)ccc2o1 902576267 JWRCNBMUYKUWNB-SECBINFHSA-N 276.292 1.732 0 50 CDAA O=C(O)[C@H]1CCN(Cc2cc(F)cc(F)c2F)C[C@H]1O 1704313379 MDYVSUYLBNFUNR-GXSJLCMTSA-N 289.253 1.371 0 50 CDAA O=C(NCC1CCCC1)c1cccc2nc(CO)[nH]c12 906076213 ULFQEHBZQOHHEV-UHFFFAOYSA-N 273.336 1.975 0 50 CDAA O=C(c1nccc2occc12)N1CCc2nc[nH]c2C1 929076591 BLOOHWJDJISGER-UHFFFAOYSA-N 268.276 1.749 0 50 CDAA CN(CCNCc1cccc2cn[nH]c12)CC(F)F 1118884204 UYYWCXALFJKFRE-UHFFFAOYSA-N 268.311 1.849 0 50 CDAA CCN(C)c1nnc2c(C(=O)O)ccc(C(F)(F)F)n12 1857780939 IHVPUFQNOQPALR-UHFFFAOYSA-N 288.229 1.902 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC1CCC(F)(F)CC1 861546161 PGPGXQHKCILQBZ-UHFFFAOYSA-N 274.311 1.573 0 50 CDAA Cc1ocnc1C(=O)NC[C@@H](CC(C)C)C(=O)O 225550964 PKUHADMVHPVGNT-SECBINFHSA-N 254.286 1.460 0 50 CDAA Cn1ccnc1CCNC(=O)c1c(O)cccc1F 121875107 HEJQVKJMSYVBIQ-UHFFFAOYSA-N 263.272 1.237 0 50 CDAA Cc1ccc(OCCCC(=O)Nc2nc[nH]n2)cc1 6009344 NNKYZHUIQUTTMH-UHFFFAOYSA-N 260.297 1.911 0 50 CDAA c1cnc(N2CCC[C@@H](NCc3ccoc3)C2)nc1 12705350 JIRGDOKGEWRMID-CYBMUJFWSA-N 258.325 1.828 0 50 CDAA C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1ccc(F)cc1F 257366435 YSGOWBYUNSKGGG-LDYMZIIASA-N 290.335 1.193 0 50 CDAA Nc1cncc(N2CCC(N3CCCCC3)CC2)n1 168728650 SGXOTFORPMVRMR-UHFFFAOYSA-N 261.373 1.514 0 50 CDAA C[C@]1(N)CCCC[C@@H]1C(=O)NCc1ccc(F)cn1 263222615 MERXFJOGQNIJHV-OCCSQVGLSA-N 265.332 1.745 0 50 CDAA CN1CCC[C@H](CCNC(=O)CCc2cn[nH]c2)C1 534584967 UQYYGCGMLXENLJ-GFCCVEGCSA-N 264.373 1.190 0 50 CDAA Cc1ccc(N2C[C@@H](C(=O)NC3CC3)CC2=O)cc1 63082 GAZQNOPBFFOSEG-NSHDSACASA-N 258.321 1.627 0 50 CDAA O=C1Cc2ccc(-c3cnc4c(=O)[nH]ccn34)cc2N1 2100477089 DOWNIAVNKFVGCE-UHFFFAOYSA-N 266.260 1.184 0 50 CDAA C[C@H]1CN(C(=O)C[C@@H]2[C@@H](N)C[C@H]2O)c2ccccc21 2325800791 FTBQOAUJSMVXLT-WSXWTOPLSA-N 260.337 1.235 0 50 CDAA Cn1nc(Cn2c(=O)oc3cccnc32)cc1Cl 2325819713 NZBPQCOUJLFPNK-UHFFFAOYSA-N 264.672 1.425 0 50 CDAA Cc1cc2ncn(C(=O)N3CCOCC3)c2cc1C 30379 LAMNQJABHOOGIQ-UHFFFAOYSA-N 259.309 1.953 0 50 CDAA O=C(NCCc1ccncc1)[C@H]1CCCC[C@H]1C(=O)O 108323 SHFXMTJZLYNCPQ-QWHCGFSZSA-N 276.336 1.631 0 50 CDAA CCOC(=O)Cn1c(-c2nonc2N)nc2ccccc21 282646 MEXYDCGTNFLIOA-UHFFFAOYSA-N 287.279 1.232 0 50 CDAA Cc1ccc(C(N)=O)cc1S(=O)(=O)N1CCCCC1 300364 QVKVLKUXWMTXHZ-UHFFFAOYSA-N 282.365 1.269 0 50 CDAA COc1cc(-c2n[nH]c(=S)n2N)cc(OC)c1OC 988403 NALLUPJPVVQUMH-UHFFFAOYSA-N 282.325 1.347 0 50 CDAA CCOC(=O)C(=O)Nc1nnc(CC(C)(C)C)s1 2818873 WZMIBXADAWQNOL-UHFFFAOYSA-N 271.342 1.628 0 50 CDAA O=C(CCC(F)(F)F)NC[C@@H](O)c1cccc(O)n1 2356144439 XZURVKGLJGUONT-MRVPVSSYSA-N 278.230 1.279 0 50 CDAA COCCCNC(=O)C(=O)Nc1c(C)cccc1C 2994242 RKTUUYSPLXBOCR-UHFFFAOYSA-N 264.325 1.395 0 50 CDAA CCc1cc(C)cc(OCCNC(=O)c2nc[nH]n2)c1 4209721 HCWKTCVMMLPNFF-UHFFFAOYSA-N 274.324 1.484 0 50 CDAA CCOC(=O)C1=NN(c2ccc(C)cc2)C[C@@H]1C(=O)OC 4724529 JFHCGUPXYCSUKX-LBPRGKRZSA-N 290.319 1.523 0 50 CDAA CCCCCc1c(C)nc(SCC(=O)O)[nH]c1=O 8625487 OUVHQVZGAWVBQO-UHFFFAOYSA-N 270.354 1.988 0 50 CDAA Cc1c(C)n(Cc2ccncc2)c2ncnc(NCCO)c12 9419779 URQSPXKWRKDTAS-UHFFFAOYSA-N 297.362 1.896 0 50 CDAA C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H]1C(=O)N(C)C 248064827 ZQQIDBDIPBBOSZ-MCIONIFRSA-N 295.427 1.329 0 50 CDAA Nc1n[nH]c(C(=O)N2C[C@@H]3C[C@H]4C[C@H]2C[C@H](C4)C3)n1 101819398 MUEBPEMOYJVMGC-FIRGSJFUSA-N 261.329 1.038 0 50 CDAA COc1cccc(CCNC(=O)CCN2CCCCO2)c1 55196910 FMQGJHWQVIBLJW-UHFFFAOYSA-N 292.379 1.771 0 50 CDAA COc1cc(CNCC2CCNCC2)cc(OC)c1OC 10434701 GKYFPWYMTWZHAE-UHFFFAOYSA-N 294.395 1.802 0 50 CDAA COC(=O)c1c(OC)ccc(S(C)(=O)=O)c1F 306146045 LTNZZYNLHZJVMW-UHFFFAOYSA-N 262.258 1.024 0 50 CDAA NS(=O)(=O)c1ccc(Cl)c(Br)c1 67796614 NMUHWVSVCUNDCY-UHFFFAOYSA-N 270.535 1.750 0 50 CDAA c1cc2c(c(-c3nc([C@@H]4CCOC4)no3)c1)OCO2 120262466 SEEKRDQFFOEIEM-MRVPVSSYSA-N 260.249 1.969 0 50 CDAA O=C(O)c1cc2n(n1)CCN(Cc1ccccc1)C2 67642396 QZNJPIFPOLPHOM-UHFFFAOYSA-N 257.293 1.597 0 50 CDAA CCC/C=C/CN1CCC(n2cc(CO)nn2)CC1 20256213 IGJZKAGDNJLZSZ-SNAWJCMRSA-N 264.373 1.764 0 50 CDAA Cc1c(Cl)cnn1Cc1nnnn1C(C)(C)C 332737391 ZIDWUHRMUOHYFZ-UHFFFAOYSA-N 254.725 1.635 0 50 CDAA CC1(C)CCCN1C(=O)c1cc(CN2CCOCC2)on1 67678673 WKHVLLXXBJOPGU-UHFFFAOYSA-N 293.367 1.521 0 50 CDAA CN[C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[C@H]1OC 449179455 ZYDFJCUKJMHZFG-JHJVBQTASA-N 270.417 1.942 0 50 CDAA CCc1nc(CN2CCO[C@@H](c3nncn3C)C2)cs1 328630432 JJWMXYCFSQHBPO-LLVKDONJSA-N 293.396 1.408 0 50 CDAA CCCN(C(=O)c1occc1C)[C@H]1CC(=O)N(C)C1=O 283519943 LKWIZTCIZWKHNR-JTQLQIEISA-N 278.308 1.198 0 50 CDAA C[C@H](CN(C)C(=O)c1ccn(C2CCOCC2)n1)C(=O)O 630136280 YWMVSWRXNDJOHC-SNVBAGLBSA-N 295.339 1.027 0 50 CDAA CCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 35085256 HXHODAXGPPGITG-UHFFFAOYSA-N 272.345 1.152 0 50 CDAA CCCN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 35897980 FITPAIGONGKGFG-UHFFFAOYSA-N 282.409 1.711 0 50 CDAA O=c1[nH]c2ccc(Cn3cnc4ncccc4c3=O)cc2[nH]1 32519438 WYLJTKFBZBKCKC-UHFFFAOYSA-N 293.286 1.009 0 50 CDAA O=C(Cc1ccc(F)cn1)N1CCO[C@@H](c2ccco2)C1 253405884 SJFBIHPXXFKAHH-CQSZACIVSA-N 290.294 1.956 0 50 CDAA CCOC(=O)C[C@@H](O)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 253406298 XXBGXPZETXAOCM-ZDEQEGDKSA-N 283.368 1.243 0 50 CDAA COCCN(Cc1scnc1C)C(=O)[C@H]1CCC(O)=N1 329965667 UNIKKLXTQGHXMP-SNVBAGLBSA-N 297.380 1.545 0 50 CDAA Cc1cccc(OCC(=O)N2CCOC[C@H]2CC(=O)O)c1 129311038 DSZJPLUQBAPESW-GFCCVEGCSA-N 293.319 1.076 0 50 CDAA Cc1cnc(N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)nc1C 284481598 FOFWQPTYPZINMW-SQWLQELKSA-N 291.395 1.850 0 50 CDAA O=C(c1cccc2c1OCO2)N1CCC(CO)CC1 124898005 OWTHWUYXRBUJOT-UHFFFAOYSA-N 263.293 1.260 0 50 CDAA Cc1c[nH]c(C(=O)N[C@H](C)c2nc(-c3ccccn3)no2)n1 217343714 VORIIAHWSVFJNJ-SECBINFHSA-N 298.306 1.654 0 50 CDAA Cc1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)O)ccc1F 258606181 ABLIUDSQWGTCFM-NXEZZACHSA-N 251.257 1.471 0 50 CDAA CS[C@@H](C)CNC(=O)C[C@H](C)C1CCNCC1 125432433 ZPGCZKZWHYQHIT-QWRGUYRKSA-N 258.431 1.880 0 50 CDAA C[C@@H](C(=O)N1CCCCCC1)N1CC[C@@H](c2nc[nH]n2)C1 333325193 AFBTYUHNJFZQEV-QWHCGFSZSA-N 291.399 1.385 0 50 CDAA Cc1cnc2c(Br)c(C(=O)O)nn2c1 215674167 NRUBFKQPDDLQLA-UHFFFAOYSA-N 256.059 1.498 0 50 CDAA C[C@H](NC1CCN(C(=O)c2ccco2)CC1)c1ncc[nH]1 331833406 KSDBUWOJJDCERF-NSHDSACASA-N 288.351 1.958 0 50 CDAA CC(C)CONC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 128438565 YDJCKJZRFZTHDY-RYUDHWBXSA-N 272.345 1.163 0 50 CDAA O=C(c1c[nH]c(=O)cn1)N1CCCC[C@@H]1c1ccccn1 215887633 HRFGETROIMTVOY-CYBMUJFWSA-N 284.319 1.532 0 50 CDAA Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H](O)CC(C)C 215906307 XKADKMPIVMANKX-ZDUSSCGKSA-N 267.373 1.434 0 50 CDAA C[C@H](Cn1cc(Br)cn1)Nc1cnn(C)c1 157350276 MKACIUBKWROJOO-MRVPVSSYSA-N 284.161 1.880 0 50 CDAA Cc1cc(CC(=O)N2CCC[C@H](c3ccncn3)C2)on1 219091757 IATQSTJWHJLBSC-LBPRGKRZSA-N 286.335 1.722 0 50 CDAA CCN(CC)CCN(C)c1cc(C2CC(N)C2)nc(N)n1 219279643 ACXPVKGJFFAIHG-UHFFFAOYSA-N 292.431 1.042 0 50 CDAA CN([C@@H]1C[C@H](Oc2ccccc2)C1(C)C)S(N)(=O)=O 376314481 BTUGLUURYRCBLY-NEPJUHHUSA-N 284.381 1.368 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)Nc2cc3n(n2)CCCC3)C1 263009696 HKBODDYAHCMSJB-CQSZACIVSA-N 292.339 1.548 0 50 CDAA O=C(NCc1n[nH]c2c1CCC2)c1coc2c1C(=O)CCC2 71314996 OGTLFJRMUBQLJB-UHFFFAOYSA-N 299.330 1.940 0 50 CDAA O=S1(=O)CCC(NC2Cc3ccccc3C2)CC1 36331721 KYJIRSHFWWQWBQ-UHFFFAOYSA-N 265.378 1.321 0 50 CDAA CN(CCN1CCCOCC1)[C@@H](CCO)c1ccccc1 340277296 HQXUOSWHCFGISE-KRWDZBQOSA-N 292.423 1.764 0 50 CDAA CC1=C[C@H](N2C(=O)NC3(CCNCC3)C2=O)CC(C)(C)C1 77564524 VAYFLSXOWXFMSQ-LBPRGKRZSA-N 291.395 1.795 0 50 CDAA Cc1cc(N2CCN(C(=O)c3cccn3C)CC2)cc(C)n1 77392774 VOSLMSHEXRYIFW-UHFFFAOYSA-N 298.390 1.999 0 50 CDAA CC(C)[C@H](CC(=O)O)NC(=O)Cc1ccncc1 136183855 PJQNOMSKSTXRQD-NSHDSACASA-N 250.298 1.240 0 50 CDAA C=CC(=O)N(C)CC(=O)NCC1CCC(C)(C)CC1 860456882 OVOYENYTZRDBTI-UHFFFAOYSA-N 266.385 1.963 0 50 CDAA CN(Cc1cccc(O)c1)c1cc(C2CC(N)C2)nc(N)n1 223208222 ADFNQAZTIOWGBD-UHFFFAOYSA-N 299.378 1.606 0 50 CDAA Cc1nc(CNC(=O)c2cn(C)c(C)cc2=O)sc1C 426712013 JBOMPAKUFNBYBB-UHFFFAOYSA-N 291.376 1.697 0 50 CDAA N[C@H]1CCCN(C(=O)c2ccccc2N2CCOCC2)C1 178329146 YUZQIOBNUKWUIV-ZDUSSCGKSA-N 289.379 1.087 0 50 CDAA Cc1nn(C)cc1C(=O)N(C(C)C)[C@H]1CCOC1 291391933 CYHFZUSKKBVVSJ-NSHDSACASA-N 251.330 1.368 0 50 CDAA COC(=O)C[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O 43763580 BHXZITSVBFRGLM-NTZNESFSSA-N 252.266 1.025 0 50 CDAA CC[C@@H](NC(=O)c1ccn(C(C)C)n1)c1ncnn1CC 426583979 IAPYYRZPZCWUJY-LLVKDONJSA-N 290.371 1.957 0 50 CDAA CCO[C@@H](C)C(=O)NCCc1nc2ccccc2o1 426372089 ODJGRSUQRZELOO-JTQLQIEISA-N 262.309 1.912 0 50 CDAA CCO[C@@H](C)C(=O)NCc1nc(C)cc(C(F)(F)F)n1 426510596 GTXHJKOINWSWOO-QMMMGPOBSA-N 291.273 1.845 0 50 CDAA COc1ccc2c(C)c(C(=O)N3CC[C@@H](O)C3)oc2c1 97288780 NOZUHTDRPZYEQO-SNVBAGLBSA-N 275.304 1.957 0 50 CDAA CN1CC[C@H](NC(=O)c2ccc(-c3cnccn3)cc2)C1=O 426361701 NXTZEKNEQXLJBJ-ZDUSSCGKSA-N 296.330 1.104 0 50 CDAA CCc1nnc(N[C@@H]2CCCN(c3ncccn3)C2)o1 95367794 CUIMQPFTQNHSLY-SNVBAGLBSA-N 274.328 1.503 0 50 CDAA CS(=O)(=O)N1CCCC[C@@H]1CCNc1ccncn1 91713413 GHSQHUJXIXBXKY-LLVKDONJSA-N 284.385 1.093 0 50 CDAA CC(C)N(Cc1nccn1C)C(=O)[C@@H]1CCCCN1C 97619547 ZFYQNPVVVRSVDY-ZDUSSCGKSA-N 278.400 1.641 0 50 CDAA O=C(O)CCN(C(=O)C1[C@H]2CCC[C@H]12)C1CCOCC1 238061454 VXEUHPJESZTJCC-RYUDHWBXSA-N 281.352 1.515 0 50 CDAA Cn1c(SC[C@@H]2CCOC2)nnc1C1CCNCC1 426551786 JZZNABBFDNBYCH-SNVBAGLBSA-N 282.413 1.411 0 50 CDAA CCO[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 144084095 QUFSOGWFGFRBNO-STQMWFEESA-N 268.357 1.025 0 50 CDAA COc1cc2c(cc1OC)CC(=O)N(CC(=O)O)C=C2 96113685 ORUGOQCXPXKSBK-UHFFFAOYSA-N 277.276 1.144 0 50 CDAA biogenic CC(C)[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1C(=O)O 92066883 GIMSXKFXGATZFA-UONOGXRCSA-N 290.363 1.574 0 50 CDAA CCc1ccc([C@H](COC)NC(=O)[C@H]2C[C@@H]2C(=O)O)o1 268914604 OZMLFBWHYYYVLX-DCAQKATOSA-N 281.308 1.366 0 50 CDAA C[C@H](CN(C)C[C@H]1CC[C@@H](N)CC1)N1CCOCC1 244887822 YPDCGROXAXZILZ-KFWWJZLASA-N 269.433 1.156 0 50 CDAA O=C(O)[C@@H]1CCN1Cc1cnn(-c2ccccc2F)c1 244574774 CRGAMZBLGIXJCY-ZDUSSCGKSA-N 275.283 1.670 0 50 CDAA O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cnc[nH]1 244774100 PNZSKHAGPPVBSJ-MGPQQGTHSA-N 285.347 1.522 0 50 CDAA O=C(COC[C@@H]1CCCCO1)N1CC(c2ccncc2)C1 244795488 RHFTUMFPAAEGCL-HNNXBMFYSA-N 290.363 1.593 0 50 CDAA CCCc1cc(C[C@@H]2CC(=O)N(CCOC)C2)nc(C)n1 244594126 DGUNUDYRRUCPDH-CYBMUJFWSA-N 291.395 1.775 0 50 CDAA CN(CC(N)=O)Cc1ccc2c3c(cccc13)C(=O)OC2 244794888 QVRBZZQLHWPAGZ-UHFFFAOYSA-N 284.315 1.427 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1C1CCCCC1 299751351 QMAOGICYILNQFR-XQQFMLRXSA-N 281.352 1.515 0 50 CDAA CC(C)c1nocc1C(=O)NCC[C@]1(O)CCCOC1 628009053 GDWXWHBFOYNCDO-CQSZACIVSA-N 282.340 1.459 0 50 CDAA OC1CCN(CCCN=c2[nH]ccc3ccccc23)CC1 527851565 KZCDUQYZZSLWDT-UHFFFAOYSA-N 285.391 1.915 0 50 CDAA O=S(=O)(NC1(c2ccccc2)CC1)N1CCCC1 264199926 PGCUFWJMLYVJNM-UHFFFAOYSA-N 266.366 1.606 0 50 CDAA O=C(NC[C@@H]1CCN(C2CCCCC2)C1)C1(CO)CC1 534634743 SKUKEGVSEMPVNP-ZDUSSCGKSA-N 280.412 1.530 0 50 CDAA Cc1noc([C@@H](C)NC(=O)c2nc3ncccc3[nH]2)n1 534656101 PEKUXKJZMRRMGM-ZCFIWIBFSA-N 272.268 1.140 0 50 CDAA COCCc1noc(CNC(=O)[C@H]2CCOC(C)(C)C2)n1 534671655 JFWPZYPGQHCOIZ-JTQLQIEISA-N 297.355 1.080 0 50 CDAA Cc1nnc(CN2CCC[C@H]2C(=O)N2CCCCC2)o1 299802784 PQDSZZIMAVUEKX-LBPRGKRZSA-N 278.356 1.355 0 50 CDAA COc1cccnc1CN1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 299785891 OJSLMVSIRZYMNT-UHOFOFEASA-N 292.379 1.595 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CCCC3(CCOCC3)C2)o1 299755414 CEPXHBLLYSFUAW-UHFFFAOYSA-N 291.347 1.981 0 50 CDAA O=C([C@H]1NCCc2nc[nH]c21)N1C[C@H]2CC=CC[C@H]2C1 584892433 ZGWDHZBTKAAMPM-WDMOLILDSA-N 272.352 1.021 0 50 CDAA O[C@H]1CN(c2cnc3ccccc3n2)C[C@@H]1N1CCCC1 670436327 VBSFSKNEHQMXJG-GJZGRUSLSA-N 284.363 1.275 0 50 CDAA COC1CCC(CNC(=O)N2C[C@@H](N)C3(CCC3)C2)CC1 1553460267 PTAMYGCNDHLNHD-JXQTWKCFSA-N 295.427 1.714 0 50 CDAA CCNC(=O)NC1(c2ncc(OC)c(O)n2)CCCC1 952879163 GWSOLVKTCFOKQN-UHFFFAOYSA-N 280.328 1.279 0 50 CDAA CSCC(=O)N1CCC(CNC(=O)C2CCCC2)CC1 948735601 LFAIGSFKWMZKLV-UHFFFAOYSA-N 298.452 1.894 0 50 CDAA O=C(N=c1[nH][nH]c2cc(O)ccc12)[C@H]1CCC[C@@H](O)C1 1875267844 AABLTFYAGFODAG-DTWKUNHWSA-N 275.308 1.180 0 50 CDAA CC[C@H](C)[C@@H]1NC(=O)[C@H](c2ccc(OC)c(O)c2)NC1=O 1875278867 QQNWRHBKCNZUES-HJIKLVIJSA-N 292.335 1.103 0 50 CDAA O=C(Nc1ncc(C2(O)COC2)s1)[C@@H]1CC[C@@H]2C[C@@H]21 1875295798 QRTKHNORTMTLGA-HLTSFMKQSA-N 280.349 1.346 0 50 CDAA C[C@H]1c2cc(O)ccc2CCN1CCN1CCNC1=O 1875267273 ODRGTSGSYHBOHR-NSHDSACASA-N 275.352 1.337 0 50 CDAA Fc1cnc(N2CCN(c3cc(Cl)ccn3)CC2)cn1 1458618831 RZJKLZKNGWPPEK-UHFFFAOYSA-N 293.733 1.991 0 50 CDAA NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](C(F)(F)F)C2)C1 888028381 BXAVMRGPVCWIMZ-VGMNWLOBSA-N 278.274 1.299 0 50 CDAA CCNS(=O)(=O)c1cncc(Br)c1 38537113 ILGAHUKGIGEEMU-UHFFFAOYSA-N 265.132 1.142 0 50 CDAA in-vitro O=C(NC1CC1)N1CCC2(CC1)C(=O)Nc1ccccc12 1191459480 NFAYLKDGJMJCAD-UHFFFAOYSA-N 285.347 1.844 0 50 CDAA O=C(O)c1ccccc1-n1nnnc1C(F)(F)F 169194390 TVOAOWSNCNMBEF-UHFFFAOYSA-N 258.159 1.379 0 50 CDAA CCn1ccc(NC(=O)[C@H]2NCCOc3ccccc32)n1 1578353574 LRPOUPYFEMGBEI-AWEZNQCLSA-N 286.335 1.565 0 50 CDAA CCCc1nccn1Cc1nnnn1CC1CCOCC1 277554541 QZDMTGYDEAAMIE-UHFFFAOYSA-N 290.371 1.297 0 50 CDAA C[C@]1(O)C[C@@H](NS(=O)(=O)c2cccc(Cl)c2O)C1 632470191 XGHSAQBDBWSRGF-DGFRNANFSA-N 291.756 1.237 0 50 CDAA CC(=O)c1cccc(NC(=O)CCc2cnn(C)c2)c1O 408516625 JZZVQBQZAJSREF-UHFFFAOYSA-N 287.319 1.900 0 50 CDAA C[C@H]1CN(C[C@@H](C)O)CCN1Cc1ccncc1Cl 189553619 HEIOMEBPWIOLOD-NWDGAFQWSA-N 283.803 1.622 0 50 CDAA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc(C)o1 643764435 XXYGMZCZYMZXBK-AWEZNQCLSA-N 266.341 1.315 0 50 CDAA C=CC(=O)NC[C@]1(COC)OCCc2ccccc21 585141197 QYKDLWVBJIAUCZ-OAHLLOKOSA-N 261.321 1.403 0 50 CDAA Cc1cc(S(=O)(=O)N[C@H]2CCCNC2)c(F)cc1F 193351822 NEXLZURWDRHLCT-VIFPVBQESA-N 290.335 1.304 0 50 CDAA C=CC(=O)NCCCCCCNC(=O)C(F)(F)F 196110165 PPSMJZHSDCFBJH-UHFFFAOYSA-N 266.263 1.528 0 50 CDAA COc1cccc(C(=O)N2CCC(O)(C(=O)O)CC2)c1C 659135496 FXSWUALCFICXGH-UHFFFAOYSA-N 293.319 1.055 0 50 CDAA CN(Cc1cn(C)nn1)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 661242816 UPOGSOHFGBYQQC-ZFWWWQNUSA-N 299.378 1.760 0 50 CDAA Cc1cc(F)ccc1N1CCC(NCCOCCO)CC1 1506403323 XTXZUEULTJZHBI-UHFFFAOYSA-N 296.386 1.701 0 50 CDAA CCN(CCn1cccn1)C(=O)c1cnc(C(C)C)nc1 1506417460 JKXPCSWZZDIRGV-UHFFFAOYSA-N 287.367 1.959 0 50 CDAA CC1(NS(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 1857532419 DCBRKWVHMGSKAT-UHFFFAOYSA-N 277.349 1.703 0 50 CDAA C[C@@H](O)C[C@H]1CCCN1C(=O)CC1(O)CCCCC1 305234947 VYZFKPSOJXSROZ-CHWSQXEVSA-N 269.385 1.834 0 50 CDAA CCCC1(C(=O)N[C@H]2CCS(=O)(=O)C2)CCC1 408271939 UKUFSXRLSZUKGA-JTQLQIEISA-N 259.371 1.260 0 50 CDAA COC(=O)NCCCc1nc(-c2ccccn2)no1 109502981 QQIOVBQLGLTQGG-UHFFFAOYSA-N 262.269 1.420 0 50 CDAA CC(C)N(C)C(=O)[C@@H](C)[S@](=O)[C@H]1CCO[C@H]1C 225333216 OMIFODNRPZJKHM-UCSBCBTLSA-N 261.387 1.168 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1ocnc1C1CC1 630172716 NDMYVTSGIJNJQF-MRVPVSSYSA-N 250.254 1.241 0 50 CDAA CO[C@H]1CC[C@H](C)N(C(=O)c2cnn3ccc(N)cc23)C1 1615548115 QSARRGSEHBLWSE-JQWIXIFHSA-N 288.351 1.556 0 50 CDAA O=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 6926441 MBFQWKZGVWXLGM-UHFFFAOYSA-N 273.741 1.694 0 50 CDAA in-vitro CCOC(=O)CNC(=O)Nc1cc(OC)ccc1OC 1754083 QSMDOQCUYDCHAJ-UHFFFAOYSA-N 282.296 1.388 0 50 CDAA Cc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)nn1 35597927 AIYATLNIHJVCOQ-UHFFFAOYSA-N 262.357 1.480 0 50 CDAA CCN1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2F)CC1 16603518 GWQGHJUAQRGNIE-NSHDSACASA-N 298.333 1.896 0 50 CDAA Cc1c(-c2ccccc2)[nH][nH]c1=NC(=O)c1nccn1C 1875242982 KHVJBZRYTGWTRR-UHFFFAOYSA-N 281.319 1.793 0 50 CDAA CNC(=O)c1ccc(CN2CCCC[C@@H]2c2nc[nH]n2)cc1 121842120 AGGMHDXGLZADPB-CQSZACIVSA-N 299.378 1.892 0 50 CDAA CC1(C)CNCC[C@@H](NC(=O)c2ccc(C(=O)O)cc2)C1 630577162 VGDVDWQDUMZWMM-CYBMUJFWSA-N 290.363 1.893 0 50 CDAA C[C@]1(C(=O)O)CCN(C(=O)c2cc(C3CC3)[nH]n2)C1 237655302 LYYIUYRMUYJXFL-ZDUSSCGKSA-N 263.297 1.224 0 50 CDAA N[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 237980851 KABBMUUAEDEPCG-GFCCVEGCSA-N 252.745 1.832 0 50 CDAA Cc1ccc(Cc2nnn(CC(=O)NC(C)C)n2)cc1 240454710 FYGLGYCUAFKZPY-UHFFFAOYSA-N 273.340 1.097 0 50 CDAA Cc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)O)oc1C 655600339 CWFFTIJSPOLLDN-LBPRGKRZSA-N 288.303 1.717 0 50 CDAA Cc1cc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)n[nH]1 262425785 DEVAPSGMLIXUGK-UHFFFAOYSA-N 277.280 1.590 0 50 CDAA O=C(NC[C@H](C(=O)O)C1CCOCC1)c1ccc(F)cn1 263014343 SKLIOQQZPTWPJR-NSHDSACASA-N 296.298 1.078 0 50 CDAA Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccccc1 429362 BTFRNONECUQQRY-UHFFFAOYSA-N 279.365 1.515 0 50 CDAA O=C(NCc1nc(=O)o[nH]1)c1occc1-c1ccccc1 1253555228 UWKDVOQDDNHQNF-UHFFFAOYSA-N 285.259 1.553 0 50 CDAA Cc1cnc(CN2CC[C@@H](n3cc(C4CC4)nn3)C2)nc1 931120693 CLHCAYZDHDWKFB-CYBMUJFWSA-N 284.367 1.701 0 50 CDAA Cc1ccc([C@@H](C)C(=O)N2CC(=O)N[C@@H](C)C2)o1 834346397 KPQHMSOBRSXNPJ-WCBMZHEXSA-N 250.298 1.038 0 50 CDAA Cc1nnc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)s1 2749011 AMJSZHWUJLEZEJ-YUMQZZPRSA-N 267.310 1.452 0 50 CDAA COc1ccccc1OC[C@@H](O)CNC1CCCC1 8844713 QBFYTUOJUHHBLM-ZDUSSCGKSA-N 265.353 1.967 0 50 CDAA COc1cccc(CCC(=O)N2C[C@H](C)N[C@H](C)C2)c1 154061757 LRYZGUDRBYFFMD-BETUJISGSA-N 276.380 1.837 0 50 CDAA CNC(=O)[C@@H]1CCCCN1Cc1nc(C)cs1 176348600 FPAIGYZKNYYARZ-JTQLQIEISA-N 253.371 1.552 0 50 CDAA Fc1cccc(CN2CCN(C[C@@H]3CCOC3)CC2)c1 72157594 BIQDBLSMBUGEOC-HNNXBMFYSA-N 278.371 1.980 0 50 CDAA O=S1(=O)CCCN1CCN(Cc1cccnc1)C1CC1 328632810 ANRKMPVLBYSZME-UHFFFAOYSA-N 295.408 1.082 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)NCCCC(C)(C)CO 426403446 DJXOYEYDHHBKBD-NSHDSACASA-N 267.373 1.667 0 50 CDAA C[C@@H](CC(=O)N1CCC[C@@H](C(=O)O)C1)C(F)(F)F 630098278 QNSCMLXOJUAQKW-JGVFFNPUSA-N 267.247 1.898 0 50 CDAA CN1CCN(Cc2cc3ccccc3o2)C[C@@H]1C(=O)O 686098790 JEBCUDVUNYARCM-CYBMUJFWSA-N 274.320 1.633 0 50 CDAA O[C@@H]1CN(c2nnc(-c3ccccc3)s2)C[C@H]1F 1506425430 AXMBBKZPDCKORJ-NXEZZACHSA-N 265.313 1.724 0 50 CDAA COCCN(C)CC(=O)Nc1n[nH]cc1-c1ccccc1 2100477121 HRQUSNQYXBXYRB-UHFFFAOYSA-N 288.351 1.593 0 50 CDAA Cc1ccn2ncc(C(=O)N[C@@H]3C[C@@H](CN)C3(C)C)c2c1 2325800131 RJGINEWMUQNXPW-SMDDNHRTSA-N 286.379 1.746 0 50 CDAA O=C(c1cc[nH]c1C1CCCC1)N1CC(c2nn[nH]n2)C1 2325802279 WMHXBIXRPSUKLR-UHFFFAOYSA-N 286.339 1.425 0 50 CDAA Cc1nnc(SCC(=O)Nc2ncccn2)s1 209643 SYPWTIBVJQNYBP-UHFFFAOYSA-N 267.339 1.367 0 50 CDAA COc1ccc2sc(C)[n+](CCC(=O)O)c2c1 294942 MFCKADSULAZYFQ-UHFFFAOYSA-O 252.315 1.981 0 50 CDAA O=C(NC(=S)NC[C@H]1CCCO1)c1ccccc1 302060 GOVAVKKJJOYIJV-LLVKDONJSA-N 264.350 1.470 0 50 CDAA Cc1cc(N2CCCC2=O)cc(C)c1S(N)(=O)=O 381951 RHRHJUQBWPZSSS-UHFFFAOYSA-N 268.338 1.078 0 50 CDAA Fc1ccccc1Cn1nnc(-c2ccncc2)n1 415048 XZCDIOSIMLANBV-UHFFFAOYSA-N 255.256 1.923 0 50 CDAA O=C(NC(=S)N[C@@H]1CCSC1=O)c1ccc(F)cc1 459014 ADAREQPVNRNWRS-SECBINFHSA-N 298.364 1.462 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC 473598 HYGKDUJVCFVEKR-GFCCVEGCSA-N 292.360 1.661 0 50 CDAA COCCCNC(=O)C1CCN(CC(C)C)CC1 2828192 HYYYDVQHIJCKGE-UHFFFAOYSA-N 256.390 1.507 0 50 CDAA COc1cc(C)c(S(=O)(=O)n2ccnc2)cc1C 4745057 WGCAISNIDDTFSP-UHFFFAOYSA-N 266.322 1.746 0 50 CDAA COc1ccc(Cl)cc1NC(=O)C(=O)NC(C)C 4868069 FEPTZYBUDLJGII-UHFFFAOYSA-N 270.716 1.812 0 50 CDAA Cn1nccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 6730641 XMSCXDMJNWIZPZ-UHFFFAOYSA-N 298.346 1.908 0 50 CDAA O=C(c1ccoc1)N1CCCN(C[C@H]2CCOC2)CC1 55059783 KHTYXHMIEWDCCQ-CYBMUJFWSA-N 278.352 1.464 0 50 CDAA CN1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2 100025275 ZTVIKZXZYLEVOL-YDHLFZDLSA-N 275.348 1.888 0 50 CDAA biogenic,in-man C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CCC1OCCO1)C2=O 248639072 XJOHOBZNQGALRW-QHBPRCKVSA-N 296.367 1.496 0 50 CDAA CCCCc1nc(CN2CC[C@H](O)C[C@@H]2C(=O)O)c[nH]1 65397437 PHGUNWHQHGRGNG-NWDGAFQWSA-N 281.356 1.162 0 50 CDAA O=C(CNCc1cccnc1)NCCc1ccc(F)cc1 65525507 BRSYERFLTIHUOI-UHFFFAOYSA-N 287.338 1.669 0 50 CDAA Cc1nc2ccccc2n1CCN[C@H](C)c1cnn(C)n1 863982676 YFCUDHSHCSJCJK-LLVKDONJSA-N 284.367 1.824 0 50 CDAA CCC[C@H](CC)[S@](=O)CCCS(C)(=O)=O 359441542 QYXQICBPDFXFDJ-IINYFYTJSA-N 254.417 1.749 0 50 CDAA CO[C@@]1(C)CCCN(C(=O)c2cc(C(=N)O)c[nH]2)CC1 331665591 RAJAGUHUUMYCKA-AWEZNQCLSA-N 279.340 1.929 0 50 CDAA COc1ccc(-n2nc(C)c(C(C)=O)c2C)cc1C(N)=O 65433102 HCHFFEURTCKWGT-UHFFFAOYSA-N 287.319 1.799 0 50 CDAA CC(C)c1nnc([C@@H]2CN(Cc3ccn(C)n3)CCO2)o1 331841717 SXSGFKCVOAWXFU-LBPRGKRZSA-N 291.355 1.500 0 50 CDAA CC1(C)[C@H](NC(=O)NCCCOCC2CC2)[C@H]2CCO[C@H]21 230088465 ITFBPGXBVDXZQX-MGPQQGTHSA-N 296.411 1.916 0 50 CDAA CC1(C)[C@H](NC(=O)N2CCSCC2)[C@@H]2CCCO[C@H]21 230148353 XITWWXCWSSTPPS-QJPTWQEYSA-N 284.425 1.948 0 50 CDAA CC[C@@H](C)OCC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 125960024 AWTKJGUZBBLYNB-IUODEOHRSA-N 295.383 1.309 0 50 CDAA CO[C@]1(C)C[C@H](NC(=O)[C@]2(C)CCNC2)C1(C)C 430070100 WTPORTZLMROTLY-ZLKJLUDKSA-N 254.374 1.306 0 50 CDAA CCc1nc(CN2CCOC[C@@H]2[C@@H]2CCC[C@H]2OC)n[nH]1 328949003 HEKIZXGRGIWPCD-YNEHKIRRSA-N 294.399 1.383 0 50 CDAA c1n[nH]cc1CCCN1CCCC[C@@H]1CN1CCOCC1 32498399 RXJPXKFSYLTAKJ-MRXNPFEDSA-N 292.427 1.529 0 50 CDAA Cc1ncn(-c2ccc(NC(=O)c3cnn[nH]3)cc2)c1C 360937471 KYSONMRFDPUVFK-UHFFFAOYSA-N 282.307 1.860 0 50 CDAA Cc1cc(CS(=O)(=O)N2CCCc3occc3C2)on1 329352166 XMYMWNIUUCDKPB-UHFFFAOYSA-N 296.348 1.854 0 50 CDAA COC[C@H]1CN(Cc2cccc(C(N)=O)c2)CC(C)(C)O1 284452329 CXPUTXQVLAJCRU-CQSZACIVSA-N 292.379 1.411 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cocn1 330324715 IRRVJQDGXJKNID-GFCCVEGCSA-N 262.313 1.588 0 50 CDAA O[C@@]1(CN2CCCCC2)CCN(Cc2cccnc2)C1 77342534 XOJZXUJVCLLTKU-MRXNPFEDSA-N 275.396 1.504 0 50 CDAA CNC[C@@H]1CCCN(C(=O)c2cccc(-n3ccnc3)c2)C1 237262666 QPEMRSUTJOTNIM-AWEZNQCLSA-N 298.390 1.944 0 50 CDAA COc1ccccc1CC(=O)N[C@@H](C)c1n[nH]c(C)n1 215504789 SCKYNPBTSQTGRR-VIFPVBQESA-N 274.324 1.542 0 50 CDAA CO[C@H]1C[C@@H](CN(C)c2ccnc3c2cnn3C)N(C)C1 284674535 YYCWEVIMMLUJTE-RYUDHWBXSA-N 289.383 1.124 0 50 CDAA CNC(=O)CN1CCCN(c2cccc(Cl)c2C)CC1 284661158 GLXOOLUSKLKJKZ-UHFFFAOYSA-N 295.814 1.907 0 50 CDAA Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCC[C@@H](N)C1 237674269 IYFBIMQUPSHZCH-GZBFAFLISA-N 276.380 1.662 0 50 CDAA COc1c(C)cc(CN(C)C(=O)[C@H]2CSCN2)cc1C 157484603 JUFWIOIJYDGQSK-CYBMUJFWSA-N 294.420 1.933 0 50 CDAA C[C@@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)CC(=O)O 157790862 AYGDHGKZHGBOPL-SECBINFHSA-N 288.303 1.369 0 50 CDAA CCn1nccc1CN[C@H]1CCO[C@@H]1c1ccnn1C 284752374 OBEKWEKEZKMTOF-JSGCOSHPSA-N 275.356 1.256 0 50 CDAA CCC[C@H](NC(=O)c1cccc(=O)[nH]1)c1nccn1C 219176271 VHFGTGJXVNNGEF-JTQLQIEISA-N 274.324 1.380 0 50 CDAA O=C(N=c1cc[nH]cc1)N1CCC[C@H]1[C@H]1CCCOC1 335394040 GMADRCMARLGLCD-JSGCOSHPSA-N 275.352 1.926 0 50 CDAA Cc1ccsc1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)O)C1 263166263 RGTAIGLBNQIKGX-RKDXNWHRSA-N 289.378 1.398 0 50 CDAA CN(Cc1ccccc1)C(=O)[C@@H]1CCc2nncn2C1 336133394 WPNIVNONRNJJAG-CYBMUJFWSA-N 270.336 1.499 0 50 CDAA CC(C)[C@@](C)(CC(=O)O)NC(=O)[C@@H]1CCO[C@H](C)C1 262986685 NTHYJAWLUJUMRG-JTNHKYCSSA-N 271.357 1.807 0 50 CDAA CCN1CCC[C@@H](N2CCC[C@@H](CN3CCCC3=O)C2)C1 32541247 MSEIUFLSRDEAKW-HZPDHXFCSA-N 293.455 1.805 0 50 CDAA OC[C@@H]1COCCN(c2nnc(-c3ccccc3)s2)C1 77285164 JAFKESSVWQEGGM-LLVKDONJSA-N 291.376 1.650 0 50 CDAA CC(C)n1cc([C@@H]2CN(Cc3c[nH]cn3)C[C@H]2CO)cn1 285517911 QFWRCLMRXYJSRW-ZFWWWQNUSA-N 289.383 1.395 0 50 CDAA CCc1n[nH]c(=NC(=O)N[C@H]2C[C@@H](OC(C)C)C2)s1 459312707 SYZVHTXIJVSYRI-DTORHVGOSA-N 284.385 1.600 0 50 CDAA CCc1ccccc1OCC(=O)N1CCC[C@H](NC)C1 132981031 NYUFZLVTVRZQET-AWEZNQCLSA-N 276.380 1.838 0 50 CDAA Cc1noc(C)c1C(C)(C)NC(=O)CCn1ccnn1 286750244 SSTFWIQGSGUXTG-UHFFFAOYSA-N 277.328 1.325 0 50 CDAA O=C(O)[C@@H]1C[C@@H](O)CN(C(=O)OCc2ccccc2)C1 40845030 SLBOCRNMAOXNRL-VXGBXAGGSA-N 279.292 1.091 0 50 CDAA COC(=O)[C@H](CCNCc1ccccc1)[C@@H](C)O 43214666 JGNJXWYXCHOBBP-DGCLKSJQSA-N 251.326 1.336 0 50 CDAA COCc1nsc(NC(=O)[C@@](C)(OC)C2CC2)n1 291935385 OWDCWLSTIQWKBL-NSHDSACASA-N 271.342 1.438 0 50 CDAA Cc1c(CNC(=O)Nc2nc(C)n(C(C)C)n2)cnn1C 48257856 XWNUUVDZAMNXOO-UHFFFAOYSA-N 291.359 1.531 0 50 CDAA C[C@@H]1C(=O)N(CC(=O)O)CCN1C(=O)C1CCCCCC1 426517845 OGZWGVNVPNECCH-LLVKDONJSA-N 296.367 1.101 0 50 CDAA NC(=O)c1ccccc1-c1ccc(-n2ccnc2)nn1 426434150 SCHBUKBVIVKDQX-UHFFFAOYSA-N 265.276 1.428 0 50 CDAA Cc1[nH]ncc1C(=O)N1C[C@H](CC(=O)O)c2ccccc21 133370300 LNUZFEPEUBTGER-JTQLQIEISA-N 285.303 1.937 0 50 CDAA O=C(N[C@@H]1COCC[C@@H]1OCC1CCC1)c1ccon1 223541031 XYUHZFIOCFMKDJ-OLZOCXBDSA-N 280.324 1.379 0 50 CDAA C[C@H](C(=O)Nc1nnc[nH]1)c1ccc2c(c1)OCO2 293012887 MBFPNKZOKUPNKM-ZETCQYMHSA-N 260.253 1.276 0 50 CDAA CC(C)C[C@H](CC(=O)O)NC(=O)c1cc2ncccn2n1 426495624 NOLFYJQCNYYXSX-SNVBAGLBSA-N 290.323 1.349 0 50 CDAA O[C@H]1CN(c2noc(C3CC3)n2)CCN(C2CCCC2)C1 97831142 KSLZIBRJTFEERR-CYBMUJFWSA-N 292.383 1.373 0 50 CDAA CNCc1nnc(SCc2noc(C3CC3)n2)n1C 426535960 VOZGTWFHMGFHFH-UHFFFAOYSA-N 280.357 1.087 0 50 CDAA CCc1ncc(C(=O)NCc2cc(C)nn2C)cn1 97436837 BQHYCATWLVGOLX-UHFFFAOYSA-N 259.313 1.011 0 50 CDAA CCCn1ccnc1CNC(=O)c1c(C)[nH]c(C)cc1=O 426500104 MCALJICVIBCYBD-UHFFFAOYSA-N 288.351 1.528 0 50 CDAA CCc1ncc(C(=O)N[C@H](C)c2ccncn2)cn1 95357337 IVEXETGVKWZCOH-SECBINFHSA-N 257.297 1.320 0 50 CDAA COc1cc(C)ccc1OCCC(=O)N1CCN[C@@H](C)C1 237108361 TXFYJGNVIYDYMM-ZDUSSCGKSA-N 292.379 1.593 0 50 CDAA CCc1c(C)nn(CCNc2nc(N)ncc2C)c1C 91655954 PWCMHKRIFSRSMW-UHFFFAOYSA-N 274.372 1.855 0 50 CDAA c1c[nH]c(CN2CCCO[C@H](CN3CCCC3)C2)n1 97475655 ZXHBPDRBJFVLGW-CYBMUJFWSA-N 264.373 1.096 0 50 CDAA CO[C@@H]1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 91820309 FOBNWYVEYJPPNM-GFCCVEGCSA-N 276.311 1.888 0 50 CDAA C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)O 238856613 WOCMPGNCIWTDFK-VGRMVHKJSA-N 291.225 1.057 0 50 CDAA c1ccc2c(c1)ncn2CCN1CCN([C@@H]2CCNC2)CC1 244695613 JPIUCABRQUVLAG-OAHLLOKOSA-N 299.422 1.016 0 50 CDAA COC(=O)[C@@H]1[C@@H]2C3C4[C@@H]5C=C[C@@H]4[C@H]([C@H]52)[C@H]3[C@H]1C(=O)OC 247864154 WYRAKNKMWKSRHM-CKJWSSGCSA-N 274.316 1.119 0 50 CDAA O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 248902293 TUFCVPMAVUCZNT-YFKTTZPYSA-N 250.342 1.208 0 50 CDAA COCCN1C[C@H](Cc2cc(C)cc(C)n2)CC1=O 244873360 WOVNKVGIKYNIBS-CYBMUJFWSA-N 262.353 1.736 0 50 CDAA C[C@H]1C2=C([C@H]3CC[C@H]2C3)[C@H](C)n2c(=O)n(C)c(=O)n21 248021194 IBOYDARISLUQEC-XKNYDFJKSA-N 261.325 1.211 0 50 CDAA CN1CC[C@H]2[C@@H](CCCN2C(=O)CCc2ccncc2)C1 269123303 UPUCFZXJXBFHJH-HOTGVXAUSA-N 287.407 1.957 0 50 CDAA Cc1cc[nH]c1C(=O)N1CCC[C@H]1Cn1ccnn1 299746284 WIYYONBDTPVVNY-NSHDSACASA-N 259.313 1.219 0 50 CDAA CN(Cc1cscn1)Cc1nnc([C@H]2C[C@@H](N)C2)n1C 252537223 KTKGHHMDXVJUNU-AOOOYVTPSA-N 292.412 1.108 0 50 CDAA C[C@@H]1CCCCN1C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 252207987 VNHOPIWICLUPHA-JHJVBQTASA-N 292.379 1.563 0 50 CDAA Cc1cc(C(=O)NC[C@@H]2CCN(C3CCCC3)C2)nn1C 534658076 MUMQCUFFCGWTNZ-ZDUSSCGKSA-N 290.411 1.723 0 50 CDAA CCc1nnc(CNC(=O)CN2CCCCCCC2)o1 534660433 ATQFUVHDRKSYBQ-UHFFFAOYSA-N 280.372 1.514 0 50 CDAA O=C(O)CCCC(=O)N1CCC[C@@H](CN2CCCC2=O)C1 534651164 ZOPPRSZECGUYAQ-GFCCVEGCSA-N 296.367 1.102 0 50 CDAA Cc1ocnc1C(=O)N[C@@H](c1nccn1C)C1CC1 534661922 ORYNVEHTDGRYGB-LLVKDONJSA-N 260.297 1.598 0 50 CDAA Cc1cccnc1[C@@H](C)NC(=O)Cn1ccnc1C 534672461 SYAJBNJPMFGPIX-LLVKDONJSA-N 258.325 1.772 0 50 CDAA O=C(C1CCOCC1)N1CC(OCc2ccccc2F)C1 299789730 AGCAHLWQDGPHES-UHFFFAOYSA-N 293.338 1.980 0 50 CDAA COc1ccc(C[C@@]2(CCC(=O)O)CCC(=O)N2)c(F)c1 299757667 MERFUYVLUZBDKV-HNNXBMFYSA-N 295.310 1.890 0 50 CDAA O=C(Cc1n[nH]c2ccccc12)N1CCC(C2(O)CC2)CC1 652666596 MOWJJHNSJLXQIP-UHFFFAOYSA-N 299.374 1.869 0 50 CDAA CS(=O)(=O)C1=CN(c2ccccc2)C(=O)N2CCN=C12 828410794 AZWGLMWKVPODLO-UHFFFAOYSA-N 291.332 1.227 0 50 CDAA Cn1c(CN)nnc1SCc1ccc(CC(=O)O)cc1 827474273 VRPNAHMRFZWJIQ-UHFFFAOYSA-N 292.364 1.193 0 50 CDAA Cc1n[nH]cc1CN(C)CC(=O)NCC1CCCCC1 585136891 XXDCAXWOKVSGLU-UHFFFAOYSA-N 278.400 1.846 0 50 CDAA Cc1nc2c([nH]1)CN(Cc1cccc3nonc13)CC2 584894290 TXRVIRPGLGLBFU-UHFFFAOYSA-N 269.308 1.813 0 50 CDAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc2c(nc1O)CCC2 584885366 SIMVPSOWWYPXBM-NSHDSACASA-N 298.346 1.286 0 50 CDAA CCc1nnc2ccc(N3CCOC4(CCC4)C3)nn12 270806006 OTNCBFIAXVLXQN-UHFFFAOYSA-N 273.340 1.446 0 50 CDAA C[C@H](CCc1ccccc1)NCCc1nnc(O)n1C 670469489 FHYHBEFBXFTWKK-GFCCVEGCSA-N 274.368 1.674 0 50 CDAA CCCn1nccc1C(=O)N1[C@H]2CC[C@@H]1CCN(C)C2 670457696 WISHKOOXCLQRHT-OLZOCXBDSA-N 276.384 1.602 0 50 CDAA COc1nccc(I)c1OC 66054316 SOLADHVMMXSYGT-UHFFFAOYSA-N 265.050 1.703 0 50 CDAA in-vitro CC(C)c1nc(CCNc2cc(Cl)nc(O)n2)n(C)n1 1548521885 RDTDSUMEVZUSPR-UHFFFAOYSA-N 296.762 1.742 0 50 CDAA O=C(N[C@@H]1CCC[C@H]2CNC[C@@H]21)c1nc[nH]c2nccc1-2 1875292496 JZOZIAQQEXWJMM-ZMLRMANQSA-N 285.351 1.027 0 50 CDAA CN(C)c1nc2ccccc2c(=NC[C@H]2C[C@H](O)C2)[nH]1 1875286947 OHLFHXFVMDYXJE-XYPYZODXSA-N 272.352 1.301 0 50 CDAA COc1ccc(C)nc1CNC(=O)/C=C/CN(C)C 1875377112 SMXWHTWNJGXQOM-AATRIKPKSA-N 263.341 1.133 0 50 CDAA C[C@@H](CCc1ccncc1)NC(=O)/C=C/CN(C)C 1875377387 ZEJHKCXIXNBFKA-IHVVCDCBSA-N 261.369 1.637 0 50 CDAA C=CC(=O)N1CCC(C(=O)N2CCCOC[C@@H]2C)CC1 1875369533 UNSOKWIPGXCSMF-LBPRGKRZSA-N 280.368 1.048 0 50 CDAA c1c(CNC2CSCCSC2)nc2n1CCS2 952960531 ODFSUGRSSBPZSL-UHFFFAOYSA-N 287.479 1.927 0 50 CDAA OC[C@H]1CN(Cc2ccncc2)CCN1Cc1ccncc1 886373526 VCZUQVCZRGVNLC-QGZVFWFLSA-N 298.390 1.155 0 50 CDAA CCS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 888093421 LEQBDJKLJOWITP-UHFFFAOYSA-N 284.305 1.477 0 50 CDAA O=S1(=O)CCC(Nc2ncnc3ccc(F)cc23)CC1 892805329 IIFFURMMEFTNMB-UHFFFAOYSA-N 295.339 1.758 0 50 CDAA CO[C@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)c1ccccc1 246034815 PTSUVIJUOSNIQB-BZPMIXESSA-N 262.353 1.583 0 50 CDAA c1ccc(N2CCN(C3=NC[C@H]4CCCN34)CC2)cc1 1775996734 GLPMWXBVXYMLPS-OAHLLOKOSA-N 270.380 1.643 0 50 CDAA O=C(c1coc2c1[C@@H](O)CCC2)N1CC[C@@H](F)C1 1775999087 NQNYGQCLDLNASH-SCZZXKLOSA-N 253.273 1.833 0 50 CDAA CCOC(=O)CCC(F)(F)C(=O)N[C@H](C)C[C@H](C)O 1776005959 KXNPWWLXXRXIAG-BDAKNGLRSA-N 281.299 1.241 0 50 CDAA CC[C@H]1[C@H](NC(=O)c2cncs2)[C@H]2CCO[C@@H]12 1565531152 UJWJNAQYTYPMIO-OEIWMXHLSA-N 252.339 1.686 0 50 CDAA COC(=O)c1cc(NCc2cnnn2C)cc(C)c1C 170593071 QMLONBMTJRQALI-UHFFFAOYSA-N 274.324 1.831 0 50 CDAA CCN1CC[C@@H](CNS(=O)(=O)c2ccc(C)s2)C1 170641610 PDZSWZGWJIWHEF-NSHDSACASA-N 288.438 1.677 0 50 CDAA CC(C)c1cc(C(=O)NC[C@@H](C)c2nncn2C)n[nH]1 279745073 KPAQHUQQBYYMLT-SECBINFHSA-N 276.344 1.195 0 50 CDAA COC(=O)[C@@H]1C[C@@H](OC)CN1Cc1noc(C(C)(C)C)n1 225435788 DOYNALZVCKKQHH-ZJUUUORDSA-N 297.355 1.129 0 50 CDAA O=C(Nc1cccc2c[nH]nc12)N1CC[C@@H]2CNC[C@@H]21 1076084096 LSVZJQWTUPGREW-SKDRFNHKSA-N 271.324 1.389 0 50 CDAA CN(Cc1ccccc1OC(F)F)[C@H]1CNC[C@@H]1O 415104055 QNLXWIJWDYAVIA-QWRGUYRKSA-N 272.295 1.053 0 50 CDAA CN1CC[C@@H](NC(=O)c2nccc3ccccc23)CC1=O 190124392 QYKRYSGWJYIPPE-GFCCVEGCSA-N 283.331 1.585 0 50 CDAA COc1cccc2c1CC[C@@H](NC1(C(N)=O)CC1)C2 190522673 ZUXOQFWDTMZVDJ-LLVKDONJSA-N 260.337 1.160 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1occc1C 692323957 RXJYKGPWTAVTSF-ZDUSSCGKSA-N 253.298 1.654 0 50 CDAA COC[C@H](C)S(=O)(=O)NC(=O)c1cc(C)cc(F)c1 744137450 QFNGCWPEADHRMD-VIFPVBQESA-N 289.328 1.229 0 50 CDAA CC(C)n1cc(CN2CC[C@H](C)S(=O)(=O)CC2)cn1 192049592 PGWRNYKSDXHQDS-LBPRGKRZSA-N 285.413 1.473 0 50 CDAA Cc1cccc(C2=CCN(C[C@@](C)(O)C(=O)O)CC2)c1 563284526 XEYDPTKARHJWBN-MRXNPFEDSA-N 275.348 1.920 0 50 CDAA O=C(NCCCCO)c1cccc(OCC(F)(F)F)n1 194976320 BFYNUWKDDZWLJE-UHFFFAOYSA-N 292.257 1.525 0 50 CDAA C[C@H](CNC(=O)c1ccc(C(=O)O)nc1)Cn1ccnc1 653301058 LDUGOMKGJYDXNY-SNVBAGLBSA-N 288.307 1.042 0 50 CDAA COC(=O)c1cc(C)nc(N2CC[C@@H](c3ccncc3)C2)n1 599099870 FUZDNGFZLUCMRD-CYBMUJFWSA-N 298.346 1.961 0 50 CDAA Cc1cnn([C@@H]2CCCN(c3cc(=O)n(C)cn3)C2)c1 579128552 DTEILHILASQGRU-GFCCVEGCSA-N 273.340 1.127 0 50 CDAA C/C=C/[C@@H](O)C(=O)NCc1cccnc1OCCCC 585120985 AYEDYRLQIQYOAV-WXJAXGNASA-N 278.352 1.814 0 50 CDAA Cc1cc(C(=O)N[C@@H](CC(=O)O)C(F)(F)F)co1 829371205 MYOYYEQJIVTMKF-ZETCQYMHSA-N 265.187 1.723 0 50 CDAA Cc1nnc(C(=O)NC[C@@]23CCC[C@@H]2NCC3)s1 1857528941 SVHCUMSNQRTPNL-CABZTGNLSA-N 266.370 1.109 0 50 CDAA C[C@]1(C(=O)NCC(F)(F)F)CC12CCNCC2 1857707440 SHIMNJJYAUPETK-SECBINFHSA-N 250.264 1.445 0 50 CDAA Cc1nc(CN2CCN(CC(C)C)[C@@H](CCO)C2)cs1 1529146837 QWCTVUFDRZEVEZ-HNNXBMFYSA-N 297.468 1.976 0 50 CDAA Cc1cnc(C)c(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704315261 ZCJSDRJBVDBKRQ-GDBMZVCRSA-N 290.411 1.376 0 50 CDAA O=C(O)c1c(I)ccnc1F 2384119 QKPLTGKHTYHYLU-UHFFFAOYSA-N 266.997 1.524 0 50 CDAA in-vitro Cc1nnc([C@H]2CN(C(=O)CC3CC3)CCO2)o1 1875263153 MGEUVQGLZSZPGM-SNVBAGLBSA-N 251.286 1.078 0 50 CDAA Cc1ccc(N2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)nc1 1704312436 BEZOMSALOSRBKD-OCCSQVGLSA-N 272.352 1.461 0 50 CDAA C[C@H](NC1CC1)C(=O)NCc1noc2ccccc12 1615555527 RDMLJLHVYDCGQM-VIFPVBQESA-N 259.309 1.585 0 50 CDAA COc1nsc(OC)c1[C@H](C)NC[C@@H](C)CCO 1615587713 QIMXQYVFRUGXHW-IUCAKERBSA-N 274.386 1.829 0 50 CDAA CSCC[C@H](O)C(=O)NC1Cc2ccccc2C1 215043121 YGQCAJVLORQJJB-ZDUSSCGKSA-N 265.378 1.384 0 50 CDAA COC[C@@H]1CCCN1C(=O)c1ccn(C(F)F)n1 678853999 HDIFAKBQLPJSAF-QMMMGPOBSA-N 259.256 1.529 0 50 CDAA Cc1cnc(CCNC(=O)[C@@H]2CCCN[C@@H]2C2CC2)s1 1615044613 FUIGLGVHZDNKCL-TZMCWYRMSA-N 293.436 1.888 0 50 CDAA COc1cccc(CNC(=O)CS(=O)(=O)C(C)(C)C)c1 156791782 GWCRUPUWVZZLDZ-UHFFFAOYSA-N 299.392 1.525 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C2CC2)cc1 1772805207 JNZXBCIKCBXFMX-UKRRQHHQSA-N 295.404 1.919 0 50 CDAA COC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C)c1 16489943 YMRRDZZHCJKMDI-JTQLQIEISA-N 273.354 1.317 0 50 CDAA CN1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1ccc2c(c1)OCO2 19759832 ZRLAKDQKFWWAAZ-JKSUJKDBSA-N 285.347 1.852 0 50 CDAA O=C(CC1CCCCC1)NCCN1CCOCC1 19972671 FMHVRHSXEOMYHU-UHFFFAOYSA-N 254.374 1.405 0 50 CDAA CCc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169296919 CGXAEUHVOGPLNT-SYQHCUMBSA-N 287.315 1.842 0 50 CDAA c1cc(CN2CCOC3(CCNCC3)C2)n2nccc2c1 1857681626 HFYCQUVLIFCFTK-UHFFFAOYSA-N 286.379 1.289 0 50 CDAA CCC[C@@]1(CO)CN(C(=O)c2cncc(C)c2)CC[C@H]1O 1857716948 HIKOPDDKSCDCHI-ZBFHGGJFSA-N 292.379 1.376 0 50 CDAA CCC[C@H]1COC[C@H]2CN(Cc3cc(CC)no3)CCN12 1875242949 JIIDBHCSXWJOPT-LSDHHAIUSA-N 293.411 1.922 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccccc1C(=O)O)C2 1875247811 PETCFWZGYMFTES-OCCSQVGLSA-N 290.363 1.147 0 50 CDAA Cc1nn(C)c(=O)c(C(=O)N2CCC[C@H](C)[C@H]2C)c1C 225411792 WDMMNHPIZDACHP-JOYOIKCWSA-N 277.368 1.658 0 50 CDAA COC(=O)c1ccc(I)cc1O 3880852 WUFUURSWOJROKY-UHFFFAOYSA-N 278.045 1.783 0 50 CDAA in-vitro C[C@@H]1O[C@H](C)C[C@H]1NC(=O)Cc1cccc2c1CCNC2 638943359 JEAPTNOYAQIHTG-BFQNTYOBSA-N 288.391 1.557 0 50 CDAA Cn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cn1 334387731 PPCLULXRUOATSI-KBPBESRZSA-N 289.310 1.507 0 50 CDAA NC1(C(=O)N2CCC[C@H](Cn3cncn3)C2)CCCCC1 237887061 DDCRYGBJWHJZSR-ZDUSSCGKSA-N 291.399 1.178 0 50 CDAA O=C(CNC1CC1)N1CCO[C@@H](c2ccccc2F)C1 237879188 AGJGKTRTRHJBSQ-CQSZACIVSA-N 278.327 1.478 0 50 CDAA C[C@@H](c1nnnn1C)N1CCO[C@@H](c2cccc(F)c2)C1 249365328 OJHWULHHLMDDBD-GXFFZTMASA-N 291.330 1.484 0 50 CDAA Cc1ccc2cc(C(=O)N[C@H](C)c3nnnn3C)[nH]c2c1 252498906 RPRBTXUYPFAKIR-SECBINFHSA-N 284.323 1.491 0 50 CDAA CN(C1C[C@@H]2CC[C@H](C1)N2)S(=O)(=O)CCC1CC1 261557296 CMSJXMQIMSGNQU-FUNVUKJBSA-N 272.414 1.331 0 50 CDAA CO[C@@H](C)c1nsc(N2CCO[C@]3(CCCOC3)C2)n1 376187688 LRRPEFIRDIHGGD-GXFFZTMASA-N 299.396 1.631 0 50 CDAA CCn1ccnc1C(=O)N[C@H](CC(=O)OC(C)C)C(C)C 594409028 UBDFUKASHOPPJQ-GFCCVEGCSA-N 295.383 1.999 0 50 CDAA COc1cccc(OC[C@H](O)CN2CCCC2)c1 5092323 PWXXQKICNMWMQW-GFCCVEGCSA-N 251.326 1.531 0 50 CDAA CC(C)(NC(=O)c1cc(Cl)ns1)c1ncon1 2325774280 AJGFMIPFBQVISV-UHFFFAOYSA-N 272.717 1.845 0 50 CDAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1cnc[nH]1 858008138 KKJJZTRSTCWWNV-CMPLNLGQSA-N 289.339 1.041 0 50 CDAA O=C1NC[C@@H](C2CC2)n2cc(Br)cc21 1857778789 BXOPGAFQXFGMAX-VIFPVBQESA-N 255.115 1.945 0 50 CDAA O=C(CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)NCC1CC1 227219306 HLGIJXOARVOQNF-AVGNSLFASA-N 280.368 1.230 0 50 CDAA OC[C@H]1COCCN1Cc1cnn(-c2ccccc2)c1 168847269 QEILQAAPCGOOTG-HNNXBMFYSA-N 273.336 1.065 0 50 CDAA N[C@H]1CCCN(Cc2nc(C(F)(F)F)no2)C1 534646509 VDNGRARVRZUHAP-LURJTMIESA-N 250.224 1.012 0 50 CDAA Cc1cc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)on1 379271744 MNGGFSNQBGTINQ-VXNVDRBHSA-N 277.246 1.477 0 50 CDAA O[C@H](CN1CCC[C@H]([C@@H]2CCOC2)C1)c1cccnc1 828449536 WIMJUOURLQAHOZ-ARFHVFGLSA-N 276.380 1.864 0 50 CDAA CC(C)C[C@H](F)C(=O)N1C[C@@H](C(=O)O)[C@H](C2CC2)C1 2325774740 ORJOCDLIEYYZFW-TUAOUCFPSA-N 271.332 1.940 0 50 CDAA C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H]1CCC12CCC2)C(=O)O 2325788491 JNUYZFFVJPYJOV-GARJFASQSA-N 296.367 1.051 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn(C2CCC2)n1 2325800984 PJRDDHXPEWUHGV-WZRBSPASSA-N 289.335 1.686 0 50 CDAA C[C@@H]1CC[C@H]2CN=C(N[C@H](C)c3ccnn3C)N2C1 2325801804 XFRZWBFOJMAFFK-UTUOFQBUSA-N 261.373 1.541 0 50 CDAA C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H](C)O1 267641 HKQGEMDQGNFTOW-UWVGGRQHSA-N 263.293 1.665 0 50 CDAA Cc1sc2ccccc2[n+]1CCCS(=O)(=O)O 1877492 XSEOLEIVLCYZQR-UHFFFAOYSA-O 272.371 1.775 0 50 CDAA COc1ccc(OC)c(NC(=O)C(=O)NC2CCCC2)c1 2845484 GOLSGIVLAHFOCU-UHFFFAOYSA-N 292.335 1.701 0 50 CDAA CC(=O)[C@H](C)n1nc(Br)nc1Br 1405641 GPCXQAFMNHJJKX-VKHMYHEASA-N 296.950 1.953 0 50 CDAA CCOCCC(=O)N1CCN(c2ccccc2)CC1 4758010 QNLUJWBWCBUNDA-UHFFFAOYSA-N 262.353 1.762 0 50 CDAA CC(C)CNS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1 6742524 UOESTTNKAVEWOM-UHFFFAOYSA-N 296.392 1.969 0 50 CDAA O=C(NC[C@@H]1CCOC1)c1ccc(Cl)cc1O 57378647 DXMWLYCIOKJFGV-QMMMGPOBSA-N 255.701 1.812 0 50 CDAA CC[C@@](C)(OC)C(=O)NS(=O)(=O)c1cnccc1C 842396998 XSBYAOVFQNSVRZ-GFCCVEGCSA-N 286.353 1.010 0 50 CDAA Cc1ccc(/C=C/C(=O)NCCCN2CCOCC2)cc1 20149513 LQBUDAFVXLJWEG-BQYQJAHWSA-N 288.391 1.847 0 50 CDAA CCc1nnc(CN2CCC=C([C@H](C)N(C)C(C)=O)C2)o1 65404618 GJTOZBJWRKVLKU-NSHDSACASA-N 292.383 1.631 0 50 CDAA COc1ncccc1-c1ccc(OCC(N)=O)c(C)c1 67820568 ZHWCWXAUFDDAPR-UHFFFAOYSA-N 272.304 1.930 0 50 CDAA Cn1ccnc1CN(C(=O)CN1CCCCCC1)C1CC1 65452445 BGLAVEMWLFZAAT-UHFFFAOYSA-N 290.411 1.787 0 50 CDAA CCc1ncc2c(n1)CN(C(=O)c1cnn(C(C)C)c1)C2 67852364 MWNLWAMFJLTEAA-UHFFFAOYSA-N 285.351 1.972 0 50 CDAA C=CC(=O)N(C)C[C@H](O)CN1CCc2ccccc2CC1 328598183 KUPAAPFXRZHJPR-INIZCTEOSA-N 288.391 1.093 0 50 CDAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1CC1CCCC1 67457714 QUDMRSUXXWJICY-KGLIPLIRSA-N 267.417 1.447 0 50 CDAA CCc1cnccc1C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 328626663 LYHHCJGCDDTNBV-AWEZNQCLSA-N 299.378 1.496 0 50 CDAA CC(=O)N(C[C@H]1CCCN1CC[C@@H]1CCOC1=O)C1CC1 328629865 ISNLHETZRMOYGH-UKRRQHHQSA-N 294.395 1.415 0 50 CDAA CC1CCC(O)(CN2CCO[C@@H](c3nncn3C)C2)CC1 328632950 LPVGVEDIXZOAGO-JVWICGRDSA-N 294.399 1.130 0 50 CDAA CC1(C(=O)O)CC(C)(C(=O)O)CC(C)(C(=O)O)C1 56740 AZWHPGZNOIYGFB-UHFFFAOYSA-N 258.270 1.443 0 50 CDAA biogenic CC(C)(C)c1ccc(N(CC(=O)O)S(C)(=O)=O)cc1 76774840 HMKWURIRFCNOJV-UHFFFAOYSA-N 285.365 1.835 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)N1CCO[C@H](CC(=O)O)C1 237456730 BKAPRZNBNMIOLF-LDYMZIIASA-N 296.323 1.097 0 50 CDAA CNCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C 237208089 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CDAA CN(C)C[C@@]1(O)CCN(C(=O)c2cc3sccc3[nH]2)C1 72137168 CJCXPLBGJMFWJZ-AWEZNQCLSA-N 293.392 1.368 0 50 CDAA CC1=CC[C@@H]2CN(C(=O)CSc3nnnn3C)C[C@@H]2C1 71682064 LVWJQUNDSVXZPM-MNOVXSKESA-N 293.396 1.117 0 50 CDAA CSC[C@@H](C)C(=O)N1CCN(C2CCOCC2)CC1 175833675 JEOKVXUHJLQGAX-GFCCVEGCSA-N 286.441 1.309 0 50 CDAA O=C1CNc2ncc(I)cc2N1 44560056 HDLRHKZVYXQFHH-UHFFFAOYSA-N 275.049 1.050 0 50 CDAA CC1(CNC(=O)c2ccc(O)c(Cl)c2)COC1 83523331 QERZQQHXCMVFQP-UHFFFAOYSA-N 255.701 1.812 0 50 CDAA CN(C)CCCCCNc1cc(C2CC(N)C2)ncn1 223238766 KSDUCGUFZVXMGE-UHFFFAOYSA-N 277.416 1.825 0 50 CDAA COc1ccccc1OC1CN(C(=O)[C@H]2CCOC2)C1 82161427 NOZRJDCQWNMSAZ-NSHDSACASA-N 277.320 1.321 0 50 CDAA CSCC[C@H](NC(=O)CN(C)C1CCCC1)C(=O)O 426485521 BEHPYPDOYOPXIF-NSHDSACASA-N 288.413 1.183 0 50 CDAA C[C@@H]1C[C@H](N2CCO[C@@H](c3nccs3)C2)C(=O)O1 222212509 YRCHTDFMQKCPQP-KXUCPTDWSA-N 268.338 1.220 0 50 CDAA O=C(O)[C@@H]1C=CCN1C(=O)CCc1ccc2c(c1)OCO2 426533872 VHVIBIARVASUNQ-NSHDSACASA-N 289.287 1.200 0 50 CDAA COc1ccc([C@H](C)NC(=O)CN2CCCC2=O)cc1F 195175990 YFWQECWSYLZKKH-JTQLQIEISA-N 294.326 1.634 0 50 CDAA O=C1COc2ccc(CN3CCC[C@](F)(CO)C3)cc2N1 294003157 SWSLZWZKAXTXOH-OAHLLOKOSA-N 294.326 1.314 0 50 CDAA CCO[C@H]1C[C@@H](O)C12CCN(Cc1nnc(C)s1)CC2 91616263 NLBBTNYNGOMBGW-NEPJUHHUSA-N 297.424 1.598 0 50 CDAA O=C(C1CCOCC1)N1CCN[C@H](c2ccccc2)C1 97730199 CFCWMSUBMAXPRA-HNNXBMFYSA-N 274.364 1.586 0 50 CDAA CCCn1ncc(C(=O)N(C)CCCN(C)C)c1C 91351221 HUBXMVMUPWNAOU-UHFFFAOYSA-N 266.389 1.625 0 50 CDAA Cc1noc(C)c1C(=O)N1CCC[C@@H](OC(=O)N(C)C)C1 295730548 UTRBXXBRHAOIOS-LLVKDONJSA-N 295.339 1.594 0 50 CDAA CNC(=O)CCN(C)C[C@@H]1CCOc2ccccc2C1 95509773 UYKXAXYCDQEFRT-CYBMUJFWSA-N 276.380 1.696 0 50 CDAA COCCn1cnnc1CCNc1nnc(C2CCC2)o1 95389050 KYNQFRAELZJFGN-UHFFFAOYSA-N 292.343 1.230 0 50 CDAA c1cnnc(-c2noc(C3(Cn4cccn4)CC3)n2)c1 95501370 SGYGEOXKIOGYIU-UHFFFAOYSA-N 268.280 1.455 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)c2ncco2)C1 238130290 COOMDGHFOZBHLP-VHSXEESVSA-N 268.313 1.965 0 50 CDAA COc1cccn(CC(=O)N(C)[C@H](C)c2ccon2)c1=O 95498646 AXRGJRZTNNPAKT-SNVBAGLBSA-N 291.307 1.065 0 50 CDAA Nc1ccnc(C[C@@H]2CC(=O)N(c3ccccc3)C2)n1 244734727 NKXIBJRRSKNGTF-LLVKDONJSA-N 268.320 1.654 0 50 CDAA O=C(O)C1(c2ccccc2)CCS(=O)(=O)CC1 606242762 DUTQBTWYUYSSJL-UHFFFAOYSA-N 254.307 1.218 0 50 CDAA O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1nc[nH]n1 299742479 JMOYJTNUFQFXGX-JQWIXIFHSA-N 290.298 1.451 0 50 CDAA NC1(Cc2ccc(Cl)cc2)CCS(=O)(=O)CC1 255190193 VNWODLPGERZOTP-UHFFFAOYSA-N 273.785 1.789 0 50 CDAA Cc1cc([C@@H]2CCCN([C@H]3C[C@@H](C)OC3=O)C2)n[nH]1 299754184 MDXKIIHOOZCDOK-WZRBSPASSA-N 263.341 1.602 0 50 CDAA CCCc1cnc(NC[C@@H]2CN(C(C)=O)CCO2)nc1 534653098 IXILRSQBVPMWPE-CYBMUJFWSA-N 278.356 1.088 0 50 CDAA CN1CCN(CC2(CN[C@H]3CCSC3)CC2)CC1 534634244 QXSQLVQIFHDZHI-ZDUSSCGKSA-N 269.458 1.109 0 50 CDAA CC(C)c1cc(CNC(=O)CCCN2CCOCC2)no1 534668507 YPSQIOVLBPQMSM-UHFFFAOYSA-N 295.383 1.527 0 50 CDAA O=C(C[C@H]1CCOC1)NCCc1cnn(-c2ccccc2)c1 555498757 ZTAZRACYTUWBSE-CQSZACIVSA-N 299.374 1.958 0 50 CDAA COc1ccc(OC)c(CNC(=O)NCCF)c1 281397106 MEMNHBUTCNSJHM-UHFFFAOYSA-N 256.277 1.473 0 50 CDAA Cc1nc2ccccc2n1CC(=O)N[C@H](C)Cn1cncn1 299273650 WAJSZJHKYQSMMO-LLVKDONJSA-N 298.350 1.141 0 50 CDAA Cc1nc(-c2ccc(CNC(=O)[C@H]3CCOC3)cc2)no1 299789817 ADEYRCBWOPHQCI-ZDUSSCGKSA-N 287.319 1.698 0 50 CDAA OCc1cc(N2CCN(Cc3ccccn3)CC2)ccn1 828837197 AZUCQYFPKKSBRM-UHFFFAOYSA-N 284.363 1.291 0 50 CDAA O=C(c1ccc(Cn2cccc2)cc1)N1CC[C@H](CO)C1 584888008 BSFSVBISKVNOBL-HNNXBMFYSA-N 284.359 1.991 0 50 CDAA COCCC(=O)N1CCC(Nc2ncc(C)c(C)n2)CC1 270807209 VWLNCCZYSJHRBN-UHFFFAOYSA-N 292.383 1.533 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1cn2cccnc2n1 584903425 KZIABUFUHRQNFG-MRVPVSSYSA-N 284.323 1.560 0 50 CDAA CCCc1nnc(N(C)CCCN2CCOCC2)s1 670437321 LMRISVKTKHBECQ-UHFFFAOYSA-N 284.429 1.649 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)Cc1c(C)noc1C 584901435 FWZKDJAILWBWPX-GFCCVEGCSA-N 276.340 1.625 0 50 CDAA Cc1[nH]ccc1C(=O)NCCc1noc(C(F)(F)F)n1 670441452 ZUHMCYHTMRMVSA-UHFFFAOYSA-N 288.229 1.697 0 50 CDAA Cc1cc(CNC(=O)c2snnc2C)oc1C(=O)O 630333326 RBSSYGWFMMYHOX-UHFFFAOYSA-N 281.293 1.376 0 50 CDAA C[C@H]1CNc2c(C(=O)N3CCCc4n[nH]cc43)cnn2C1 1548698311 VENNYMPKYYBAER-VIFPVBQESA-N 286.339 1.261 0 50 CDAA CCn1ccc(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)n1 1550343575 LLFVUAXKDWOIBY-OCCSQVGLSA-N 299.330 1.946 0 50 CDAA CC(C)(C)OC(=O)N1CCN([C@@H]2CCCNC2)CC1 68592352 PCCCSUUBJZRHGJ-GFCCVEGCSA-N 269.389 1.291 0 50 CDAA in-vitro CC1(CC(F)(F)F)CN(C(=O)NC2CC3(C2)C[C@@H]3N)C1 1551597970 CYUCARWRGBASSC-XEVUQIKYSA-N 291.317 1.850 0 50 CDAA CN1C[C@@H](C(=O)Nc2c[nH]ccc2=O)[C@H](C(F)(F)F)C1 952880121 BRSNONYTFKMKPW-HTQZYQBOSA-N 289.257 1.054 0 50 CDAA NC[C@H]1C[C@@H](NC(=O)[C@H](N)Cc2cc3ccccc3o2)C1 1875276722 UPJWKXVDZIMHJB-SCDSUCTJSA-N 287.363 1.156 0 50 CDAA Cc1cc(CC(=O)NCc2cc(C(F)(F)F)no2)no1 1875276213 HQIBMYNVSAPMDL-UHFFFAOYSA-N 289.213 1.849 0 50 CDAA Cc1cc(C(=O)Cn2c(C)noc2=O)ccc1F 1875391652 PEAYNVZVZLMKEM-UHFFFAOYSA-N 250.229 1.475 0 50 CDAA C=CC(=O)N[C@@H](C)c1nn(-c2ccccc2)nc1C 1875368596 CRUGGRUJPXWMQQ-JTQLQIEISA-N 256.309 1.939 0 50 CDAA CCCOCC(=O)NCc1nc2cnccc2s1 1303484509 UDGDQBJUUGNEMJ-UHFFFAOYSA-N 265.338 1.734 0 50 CDAA Cc1c(F)cccc1C(=O)N[C@@]1(c2ncc[nH]2)CCOC1 886096586 MDIZTQAGCINSKS-HNNXBMFYSA-N 289.310 1.903 0 50 CDAA CC(C)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C 886085273 JFVJAEOSVRSYBW-TZMCWYRMSA-N 276.384 1.613 0 50 CDAA CC(=O)N1CCO[C@@H]2CCN(c3ncccc3Cl)C[C@@H]21 886051578 HCXZEQYQGAFFGB-QWHCGFSZSA-N 295.770 1.561 0 50 CDAA COc1cnccc1-c1noc([C@H]2CNC[C@@H](C)O2)n1 888078236 CBKYHCXRNVQGPH-LDYMZIIASA-N 276.296 1.190 0 50 CDAA Cc1cn(C(C)(C)C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)cn1 891089304 GTTONNVBHYNNOF-HUUCEWRRSA-N 299.374 1.701 0 50 CDAA C=CC(=O)NCc1nc(C)c(C(=O)OCC)s1 1335286713 GMWAAXVIQTZJEY-UHFFFAOYSA-N 254.311 1.430 0 50 CDAA O=S(=O)(NCc1ccnc(Cl)c1)C1(C(F)F)CC1 1775992298 RRVQIFVGVCQQEC-UHFFFAOYSA-N 296.726 1.952 0 50 CDAA COCc1ccnc(NC(=O)N2C[C@H](N)C3(CCC3)C2)c1 1775962417 JYHPNZMHXJDFKG-LBPRGKRZSA-N 290.367 1.573 0 50 CDAA O=C1NCc2ccc(C(=O)NC[C@H](O)C3CCC3)cc2N1 1776006535 VOBWEAPXTPJELW-ZDUSSCGKSA-N 289.335 1.213 0 50 CDAA COCc1noc(CNC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)n1 1565525414 LVKXFFUJOPCDAS-AEJSXWLSSA-N 263.297 1.044 0 50 CDAA C[C@@H](NC(=O)c1coc(C(C)(C)C)n1)c1nn(C)cc1O 1365120096 MJAOUCRDXYTVQO-MRVPVSSYSA-N 292.339 1.902 0 50 CDAA CCS(=O)(=O)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 275083138 ZBDOEJWRZQQBAJ-VIFPVBQESA-N 295.719 1.544 0 50 CDAA Cc1ncccc1OCc1nnnn1CC1CCOCC1 277571846 SXZYEKMCFSBVBV-UHFFFAOYSA-N 289.339 1.382 0 50 CDAA OCc1ccc(CN2CCN(Cc3ccncc3)CC2)o1 170079369 MWDYIIGWKPFFBY-UHFFFAOYSA-N 287.363 1.485 0 50 CDAA OCC[C@]1(NCc2cccc3c2OCCO3)CCOC1 278112349 BLTIEALXKFUTNL-HNNXBMFYSA-N 279.336 1.089 0 50 CDAA CCn1cc(NC(=O)[C@H]2CC=CCC2)c(C(N)=O)n1 278561217 MPVVETQEFOXKDO-VIFPVBQESA-N 262.313 1.297 0 50 CDAA CCS(=O)(=O)c1ccc(N2CC[C@H](C)[C@H](O)C2)cc1 170604527 IZRSLZQRORUENT-SMDDNHRTSA-N 283.393 1.687 0 50 CDAA Cc1ccsc1CNC(=O)C1(S(C)(=O)=O)CCC1 280541886 JGFCILNMQBRNER-UHFFFAOYSA-N 287.406 1.640 0 50 CDAA Cc1cnccc1CNC(=O)N[C@@H]1C=C[C@H](CO)C1 187099843 ZSGFFBRVDLGYPJ-WCQYABFASA-N 261.325 1.126 0 50 CDAA CCC(CC)NCCN=c1cc(C)nc(COC)[nH]1 585092116 GBQOJTRILBVCIX-UHFFFAOYSA-N 266.389 1.543 0 50 CDAA CCCCCOCC(=O)Nc1cnc2nccn2c1 585128354 ZBILHPDXHKUNIV-UHFFFAOYSA-N 262.313 1.875 0 50 CDAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(O)cc1F 189003293 HJHFMPRUAPHJJR-CYBMUJFWSA-N 294.326 1.518 0 50 CDAA COCCCN1CCC(CO)(NCC(C)C)CC1 408524835 ZUBVCOKNHZPIFK-UHFFFAOYSA-N 258.406 1.095 0 50 CDAA Cc1nn(C)c(=O)c(C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1C 225416604 BVVIGUNPKULLLV-PHIMTYICSA-N 275.352 1.125 0 50 CDAA CC1(C)C(=O)NCCN1C(=O)c1ccn(-c2ccccc2)n1 225543620 FQKYGEJIFUVOMQ-UHFFFAOYSA-N 298.346 1.223 0 50 CDAA Cc1cc(CN2CCCN(C[C@H]3CCCO3)CC2)ncn1 644656744 ONTSWWYWRSMYBP-MRXNPFEDSA-N 290.411 1.472 0 50 CDAA CCO[C@@H]1C[C@](O)(CNC(=O)c2ccoc2)C1(C)C 191755127 QWHRUDDWVAXUOO-RISCZKNCSA-N 267.325 1.576 0 50 CDAA C[C@H](O)[C@](C)(CNC(=O)c1cc[nH]n1)Cc1ccccc1 192051920 YVTDAYURAVJICO-LRDDRELGSA-N 287.363 1.769 0 50 CDAA Cc1ccccc1CC1(N[C@@H](C)CN(C)CCO)CC1 1506398722 SBLCHFAIWZWSRD-HNNXBMFYSA-N 276.424 1.972 0 50 CDAA CN(CC[C@H]1CCCCO1)C(=O)c1cc(N)n[nH]1 1506419950 NQLWUCRCZFNCOV-SECBINFHSA-N 252.318 1.023 0 50 CDAA CO[C@H]1CCCN(C(=O)CCN2CCCCC2=O)C1 1506410986 NHHSKIJRTJNMSW-LBPRGKRZSA-N 268.357 1.026 0 50 CDAA CCN(C)[C@H](C)CCNc1nccnc1N(C)C 1704335869 HRDWVJQBFYMOKX-LLVKDONJSA-N 251.378 1.685 0 50 CDAA CCc1cnc(N)nc1N[C@H](CO)CCSC 1704304745 IIFNGEVKWLJHIU-VIFPVBQESA-N 256.375 1.147 0 50 CDAA CO[C@H]1COC[C@H]1n1ccnc1-c1ccnc(C)n1 1857710859 UILKAJGMUOIDHU-NEPJUHHUSA-N 260.297 1.235 0 50 CDAA N[C@@H]1C[C@H](C(=O)NCc2c(F)cccc2Cl)C[C@H]1O 1857714854 OVWFXUHVMDDEIW-UPZJHPNMSA-N 286.734 1.194 0 50 CDAA Cn1cc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)nc1O 606444424 ZLIUKYWUXANCSP-MRVPVSSYSA-N 291.273 1.930 0 50 CDAA CC[C@@H](C)OCc1nc(C(C)(C)NC(C)=O)no1 151727740 HBNJNJKZAMWQGG-MRVPVSSYSA-N 255.318 1.756 0 50 CDAA OCc1nc2ccc(-n3ccnc3[C@@H]3CCOC3)cc2[nH]1 1775978114 LSANEYNHAUGVRF-SNVBAGLBSA-N 284.319 1.745 0 50 CDAA CCC(=O)c1ccc(OCCN2CCN(C)CC2)cc1 20639343 REHWMFIHOABAAO-UHFFFAOYSA-N 276.380 1.906 0 50 CDAA Cc1cc(S(=O)(=O)NCCO)c(C)cc1Cl 11566262 JFFCDLLJTICGJA-UHFFFAOYSA-N 263.746 1.227 0 50 CDAA CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)n2ncnc2N1 13125220 XZULBJTXLMIFIL-CYBMUJFWSA-N 299.334 1.914 0 50 CDAA O=C(CN1CCN(c2ccccc2)CC1)Nc1ccncc1 15952202 RJISHEZWTJQLJZ-UHFFFAOYSA-N 296.374 1.842 0 50 CDAA CCn1cnnc1CN(C)c1ccc(-c2nc(C)no2)cn1 19146477 UWDDTIKVQUNYIB-UHFFFAOYSA-N 299.338 1.688 0 50 CDAA COc1cc(F)ccc1CN1C[C@@H]2CCOC[C@]2(CO)C1 1857669693 WQBDIHGDWDGATH-XJKSGUPXSA-N 295.354 1.665 0 50 CDAA Cc1cc(C)n(CCC(=O)N=c2cc(C3CCC3)[nH][nH]2)n1 1875249237 MKFXTZNMCBMKJX-UHFFFAOYSA-N 287.367 1.941 0 50 CDAA C[C@H](NC(=O)C[C@@H]1CCOC1)c1ncc(C(=O)O)s1 621608917 BTSZMXSSXJYMLP-YUMQZZPRSA-N 284.337 1.445 0 50 CDAA Cc1cc(N2CCO[C@H](CN(C)CC3CC3)C2)ncn1 328625818 DNAJBSMVTSSMMD-CQSZACIVSA-N 276.384 1.332 0 50 CDAA CO[C@H]1C[C@@H](C(=N)O)N(Cc2cnc3c(C)cccn23)C1 331618860 PXWTYERPILNCDF-STQMWFEESA-N 288.351 1.767 0 50 CDAA CC[C@@H](NC1CCC(NC(C)=O)CC1)[C@@H]1CCCO1 133667597 XYHPBYKTNMMLEK-CVSAEHQPSA-N 268.401 1.981 0 50 CDAA CCn1cnnc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 367645704 RELAECWXQPTXKK-SNVBAGLBSA-N 285.307 1.363 0 50 CDAA Cn1c(SC[C@@H]2COC(=O)N2)nc2ccsc2c1=O 496677998 BUKHZAOSHLIQMT-LURJTMIESA-N 297.361 1.196 0 50 CDAA O=S1(=O)CCC(NC2C[C@@H]3CSC[C@H]3C2)CC1 1875292736 REEVAZVWXZIFAF-NXEZZACHSA-N 275.439 1.295 0 50 CDAA C=CC(=O)N1CC(C)(c2nnc(-c3cccnc3)o2)C1 820436958 VOHGFWFRYDHCDN-UHFFFAOYSA-N 270.292 1.418 0 50 CDAA CC(C)(C)NC(=O)c1cnc2sccn2c1=O 6186757 CWRUWAOXGSWSLE-UHFFFAOYSA-N 251.311 1.284 0 50 CDAA COc1ccc(CC(=O)NC[C@@H]2CCCNC2)cc1F 129746335 IBBRXIFGGMJKNR-GFCCVEGCSA-N 280.343 1.493 0 50 CDAA Cn1cccc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 239654300 BNJCDHPNZWPMFX-WZRBSPASSA-N 276.336 1.883 0 50 CDAA COCc1cccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1 154181843 DONAKIKZIPTXQQ-VXGBXAGGSA-N 262.353 1.655 0 50 CDAA CCOC(=O)CNC(=O)N1CCC[C@H]1c1cc(C)no1 35511362 JCJIGYVEOPERQO-JTQLQIEISA-N 281.312 1.393 0 50 CDAA CNC(=O)[C@H](C)N(C)Cc1cccc(C(=O)OC)c1 67695039 WFDKSWJIMSMCNP-JTQLQIEISA-N 264.325 1.040 0 50 CDAA Cc1cn2[nH]c(=N[C@H]3CCN(CC(C)C)C3)ccc2n1 515199914 JIQKWYRDYCTLFP-ZDUSSCGKSA-N 273.384 1.602 0 50 CDAA O=C(O)c1ccc(NCC[C@H]2CCCOC2)nn1 530174673 KPGOVWUNSXRLHB-SECBINFHSA-N 251.286 1.403 0 50 CDAA NCC[C@@H]1CN(Cc2ccc3nsnc3c2)CCO1 426498632 PSPFBEXEDDJJOD-LLVKDONJSA-N 278.381 1.241 0 50 CDAA Cn1nccc1[C@H]1CCCN1c1ncccc1C(=O)O 900976715 ONXXRYKIUXWJCH-GFCCVEGCSA-N 272.308 1.855 0 50 CDAA NCC[C@H]1CC[C@@H](NC(=O)[C@@H](O)c2ccccc2)C1 2325779183 MWRMZCMHZXQXEK-BNOWGMLFSA-N 262.353 1.354 0 50 CDAA C[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)[C@H]2C(=O)NC[C@H]12 2325791288 LAPIULIDMIRLTC-GAJTVXKRSA-N 298.346 1.160 0 50 CDAA C[C@@]1(C(=O)N2CC(O)(Cc3cc[nH]n3)C2)C=CCCC1 2325803410 FKMRHSFYPHAUGP-CQSZACIVSA-N 275.352 1.272 0 50 CDAA Cc1nc2ccc(C(=O)O)cc2c2c1C[C@@H](CN)O2 517628 XLPIRLQSGFVQRP-VIFPVBQESA-N 258.277 1.504 0 50 CDAA biogenic O=C(NCCc1ccccc1)c1cnn2cccnc12 1060270 OWLWJXOVNJWSIX-UHFFFAOYSA-N 266.304 1.702 0 50 CDAA Cc1n[nH]c(C)c1-c1nnc2n1[C@@H](C)C(=O)N1CCC[C@@H]21 2356143404 GKDQILVKLJHZLW-UWVGGRQHSA-N 286.339 1.523 0 50 CDAA O=C(O)CCCNC(=O)[C@](F)(Cl)C(F)(F)F 3093308 NZZDVCXCNADEAV-ZCFIWIBFSA-N 265.590 1.434 0 50 CDAA O=C(OCc1nnc(-c2ccccc2)o1)c1cnccn1 3526317 JZVLMUUJTKRBJZ-UHFFFAOYSA-N 282.259 1.884 0 50 CDAA O=C(O)CC[C@@H]1NC(=O)N(C2CCCCC2)C1=O 4169254 RFUJQJHOZWCXIN-VIFPVBQESA-N 254.286 1.104 0 50 CDAA COc1ccccc1NC(=O)C[C@@H](C(=O)O)N(C)C 4264036 ZWPCYGIILHIIJO-JTQLQIEISA-N 266.297 1.039 0 50 CDAA Cc1ccc(C(=O)NC2CC2)cc1NS(C)(=O)=O 10314404 KZYPLFGWRRWUCN-UHFFFAOYSA-N 268.338 1.259 0 50 CDAA O=C(Cc1ccsc1)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 227121807 IUWGLUXQRKSBOL-DJIHRAIXSA-N 279.361 1.906 0 50 CDAA C[C@@H](c1ccccn1)N(C)c1ncnc2c1nnn2C 521395312 FUDUAYZCXWUQGQ-VIFPVBQESA-N 269.312 1.351 0 50 CDAA CC1=NN[C@@]2(c3ccccc3)N(O)[C@@]1(C)N(O)C2(C)C 110280951 GZHMQQGFMJFGKK-KGLIPLIRSA-N 276.340 1.709 0 50 CDAA CCC[C@H](CC)[S@@](=O)CCCS(=O)(=O)N(C)C 359404142 FKKHPPJZQBGUMX-ZBEGNZNMSA-N 283.459 1.595 0 50 CDAA C[C@@H](C(=O)N(C)C)N1CCC[C@@H](c2noc(C3CC3)n2)C1 229302858 CGDIAVIVVHTMEA-CMPLNLGQSA-N 292.383 1.603 0 50 CDAA COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc(F)c(C)c1 252549064 QRESKCTYKULCBG-KBPBESRZSA-N 281.327 1.632 0 50 CDAA CCN(C(=O)COc1ccccc1Cl)[C@H]1COC[C@@H]1O 223516278 KWYSGKBGRUHYCU-RYUDHWBXSA-N 299.754 1.327 0 50 CDAA CNC(=O)N[C@@H]1CCN(C(=O)CCc2ccc(C)s2)C1 355727855 CPSCMJWJQQMALV-LLVKDONJSA-N 295.408 1.519 0 50 CDAA CCn1ncnc1[C@H](NC(=O)c1c(C)noc1C)C1CC1 222266226 LISSQKIINFYJEY-GFCCVEGCSA-N 289.339 1.784 0 50 CDAA O=C(CN1CCCCCC1)NCC1(CO)CCCC1 67641215 PSUTYVFTQQEHMV-UHFFFAOYSA-N 268.401 1.531 0 50 CDAA Cc1csc2ncn(CCN3CCCC3=O)c(=O)c12 32587217 CDARSDLMYOTOSK-UHFFFAOYSA-N 277.349 1.389 0 50 CDAA CC(=O)c1ccc(N2C(=O)[C@H]3COCCN3C2=O)cc1 328588752 OFOLVBZGCKNHAO-GFCCVEGCSA-N 274.276 1.057 0 50 CDAA NC(=O)[C@@]1(O)CCCN(Cc2ccc(Cl)cc2F)C1 284748870 FCWWPQNQAQJBHM-CYBMUJFWSA-N 286.734 1.291 0 50 CDAA O=S(=O)(C1CCCCC1)N1CCN2CCC[C@H]2C1 257365453 WYILOZJTNOHEKQ-LBPRGKRZSA-N 272.414 1.429 0 50 CDAA COCc1cc(C(=O)N2C[C@@H](C)N[C@H](C)C2)ccc1F 153291697 HREOTJNQQADBCA-GHMZBOCLSA-N 280.343 1.795 0 50 CDAA C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)C 39259501 FABGDABUBWEOOQ-JTQLQIEISA-N 250.298 1.390 0 50 CDAA in-vitro Cn1cnc2c(c1=O)CCN(C(=O)c1ccc(F)cc1)C2 328619298 FRJJFSZCHJRQEV-UHFFFAOYSA-N 287.294 1.118 0 50 CDAA Cc1cc(C)n([C@H](C)C(=O)Nc2cncnc2N(C)C)n1 126419809 RZFADMBVPTUBLR-LLVKDONJSA-N 288.355 1.556 0 50 CDAA O=C(c1ncccc1O)N1CC(Oc2ccccc2F)C1 215456370 RHFGVHVZGZWVFO-UHFFFAOYSA-N 288.278 1.830 0 50 CDAA C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@H](CF)C1 331305978 AYVGCDUSZQBBNO-ZYHUDNBSSA-N 268.288 1.046 0 50 CDAA CCOC(=O)[C@@H](C(C)=O)[C@@H]1c2ccccc2OC(=O)N1C 39254332 ZLDCJOXEUMIIBG-STQMWFEESA-N 291.303 1.940 0 50 CDAA COC(=O)[C@H]1CCCCN1C(=O)c1cncc(F)c1 124831691 KWMOOASHCYACBY-LLVKDONJSA-N 266.272 1.388 0 50 CDAA Cc1cc(C[C@@H](C)NC2CCC3(CC2)OCCO3)n[nH]1 156771318 VQGDQYPQJPKNBU-LLVKDONJSA-N 279.384 1.924 0 50 CDAA CC(C)=C(F)C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 370222725 NCYPCWYURLYVPE-VIFPVBQESA-N 255.289 1.963 0 50 CDAA O=C(N[C@@H]1CC(=O)N(CC2CCCCC2)C1)c1ccc[nH]1 72162159 ABSGWFUMSWRKNL-CYBMUJFWSA-N 289.379 1.926 0 50 CDAA CCN(CC)C(=O)c1ccc(C(=O)N[C@@H]2CCNC2)cc1 127384269 MATWHPORHHKDDS-CQSZACIVSA-N 289.379 1.260 0 50 CDAA CNC[C@H]1CCCN1C(=O)c1cc(C(C)C)n(C)n1 237253736 IEQMRWHEWPNUKM-LLVKDONJSA-N 264.373 1.368 0 50 CDAA C[C@@H]1NC(=O)[C@@H](C)N(C(=O)NCc2ccccc2)[C@@H]1C 864095448 LXFQKFVMPUIJNH-QJPTWQEYSA-N 275.352 1.494 0 50 CDAA O=C(CC1=CCCCC1)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 262489123 ZDGYRTBKTNEWFC-XJKSGUPXSA-N 293.363 1.827 0 50 CDAA O=S(=O)(Nc1cccc(F)c1-c1nc[nH]n1)C1CC1 375734988 YNUUDVMJZAFKGS-UHFFFAOYSA-N 282.300 1.515 0 50 CDAA CS(=O)(=O)N(Cc1ccccn1)Cc1ccccn1 180623353 ZFHFTMBQIJAWBL-UHFFFAOYSA-N 277.349 1.438 0 50 CDAA CN1CCC[C@]2(CCN(C(=O)CCc3cnc[nH]3)C2)C1 336150782 LMFIWAXVHQSIML-HNNXBMFYSA-N 276.384 1.287 0 50 CDAA CC(C)COC[C@H](O)CN1CC[C@]2(O)CCCC[C@H]2C1 241338526 MBLHMTWGCQWAGG-ARFHVFGLSA-N 285.428 1.647 0 50 CDAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](O)C1 77302562 BXNBNYAUJFWGDF-CYBMUJFWSA-N 257.293 1.079 0 50 CDAA CCCOc1nccnc1N1CCC(n2ccnn2)CC1 527952936 WKSKFDXPKYWFJW-UHFFFAOYSA-N 288.355 1.698 0 50 CDAA COc1csc(C(=O)N2CCC[C@@H](C)[C@H]2CN)c1 161696975 ZVOXAHFLQGNCEM-MWLCHTKSSA-N 268.382 1.956 0 50 CDAA CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@@H]1CCOC1 82126454 BGJCYCXGHSLLLM-SNVBAGLBSA-N 288.307 1.127 0 50 CDAA CC(C)(C)OC(=O)N1CC(C)(C)OS1(=O)=O 328577991 BYIAWCYJBINANP-UHFFFAOYSA-N 251.304 1.277 0 50 CDAA C[C@H](Oc1ccccc1)C(=O)NCCCN1CCOCC1 47465829 QBEYHHHOPDYLBI-AWEZNQCLSA-N 292.379 1.292 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@H]1CCN(c2ccccc2)C1 264600826 DPJIUAAIZFCIBO-RZIFZGNASA-N 287.407 1.747 0 50 CDAA CCc1ccc(C(=O)N(CC(=O)O)CC(C)C)[nH]1 426438953 XICGITFXVRQIFF-UHFFFAOYSA-N 252.314 1.760 0 50 CDAA COc1cccn(C[C@@H]2CCN(C(C)C)C2)c1=O 95529116 PLYYYMFIMWNHDP-GFCCVEGCSA-N 250.342 1.587 0 50 CDAA Cc1oc(=O)n(CCCOc2ccc(C(N)=O)cc2)c1C 95391982 OZZFIGJJOIRCNN-UHFFFAOYSA-N 290.319 1.626 0 50 CDAA CCOc1ncccc1Cn1cc(-c2nccn2C)nn1 91382234 RYSQRQRLAZRSKY-UHFFFAOYSA-N 284.323 1.521 0 50 CDAA COc1ccc(/C=C/C(=O)N2CCC[C@H]2CN)cc1OC 237305656 YJWWXMNTYOHCTM-CFNZNRNTSA-N 290.363 1.667 0 50 CDAA O=C(NCCc1cnn[nH]1)c1conc1-c1ccccc1 426383763 HWWUIJWIPJPBRX-UHFFFAOYSA-N 283.291 1.432 0 50 CDAA CN1CCCC[C@H]1C(=O)NCCOCc1ccccc1 97759336 KMRFAUGLSIZUGI-HNNXBMFYSA-N 276.380 1.804 0 50 CDAA Cc1cnc(CNC(=O)C(C)(C)N2CCCC2)cn1 426471380 NROVUWKXNAHFCY-UHFFFAOYSA-N 262.357 1.276 0 50 CDAA O=C(CCc1nc2ccccc2[nH]1)N1CC[C@@H]2COC[C@H]2C1 620153327 FKQPQLQCVSVISO-CHWSQXEVSA-N 299.374 1.990 0 50 CDAA O=c1c(C(F)(F)F)cccn1Cc1ncccn1 95377166 GVHWQOWQHLGXDH-UHFFFAOYSA-N 255.199 1.705 0 50 CDAA COC(=O)c1cccc(-n2cc(Cl)nc(N)c2=O)c1 95836415 OKWNSMVGULDNMH-UHFFFAOYSA-N 279.683 1.255 0 50 CDAA N[C@@H](CNC(=O)c1coc(-c2ccccc2)n1)C1CC1 238055143 GIFMHUOKHSZMOX-LBPRGKRZSA-N 271.320 1.809 0 50 CDAA COCC[C@@]1(CO)CCCN(Cc2nnc(C3CC3)o2)C1 91808663 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828760365 AKTFENLGPSUBHI-CYBMUJFWSA-N 278.400 1.464 0 50 CDAA CC(C)c1cc(CN(C)C(=O)c2nccn2C)on1 584900693 AEKVDAHJQLUPIU-UHFFFAOYSA-N 262.313 1.804 0 50 CDAA CC(C)(C)n1cc(/C=C/c2cnc(C(=O)O)cn2)nn1 585135948 JXVVJINQQATQSF-SNAWJCMRSA-N 273.296 1.692 0 50 CDAA Cc1nc(C(C)(C)N)n(-c2ccc3c(c2)OCO3)n1 825290820 OOZLYMDHKOUSMQ-UHFFFAOYSA-N 260.297 1.498 0 50 CDAA Cc1nc2c3ccccc3nc(CCC(=O)O)n2n1 585157913 KTIVEEKKBNCRJM-UHFFFAOYSA-N 256.265 1.603 0 50 CDAA COc1ccc(CCC(=O)N2CC[C@H](C(=O)O)C2)cc1F 269179979 KYJJXIJSDZYJBW-NSHDSACASA-N 295.310 1.700 0 50 CDAA CCC1=NO[C@H](C(=O)NCCc2cn3ccccc3n2)C1 584900349 QFPNKQIREWZRSY-ZDUSSCGKSA-N 286.335 1.548 0 50 CDAA OCc1nc(CCNC2CCN(C3CCCC3)CC2)no1 670443593 SPVUDFJCSZKFKP-UHFFFAOYSA-N 294.399 1.101 0 50 CDAA CC(=O)NCc1nc(C)nn1Cc1ccccc1C 670471766 TVKZDDBFSSNWDL-UHFFFAOYSA-N 258.325 1.579 0 50 CDAA CN(C)c1nc2ccc(C(=O)N3Cc4c[nH]nc4C3)cc2[nH]1 1875294931 YOEDASCJRXPYBT-UHFFFAOYSA-N 296.334 1.508 0 50 CDAA Cn1ncc2c1CC[C@H](F)[C@H]2NCC1(n2ccnn2)CC1 1875396574 NKTIVMMIHNDQQF-AAEUAGOBSA-N 290.346 1.116 0 50 CDAA Cc1nc(N2CC[C@]3(C2)OC[C@H]2C[C@H]23)c2cc[nH]c2n1 1875306575 KYTVLYZFOAOXRF-IXPVHAAZSA-N 270.336 1.882 0 50 CDAA Cc1cc(O)c(COC(=O)[C@@H]2[C@H]3CC(F)(F)C[C@H]32)nn1 1875307900 VWKHUWPSSOPONW-VROVMSAKSA-N 284.262 1.825 0 50 CDAA CC(=O)NCCNC(=O)c1cc(NC2CC2)ncc1Cl 1875311689 JZWJXVDRVOXRLT-UHFFFAOYSA-N 296.758 1.175 0 50 CDAA CC(C)CN1CC[C@@H](CNCc2ccc(CO)o2)C1 952980198 WKYXUNCNRAYTNK-ZDUSSCGKSA-N 266.385 1.839 0 50 CDAA CC(C)[C@H]1CCO[C@H]1C(=O)N1CC(c2cc(CO)on2)C1 886085314 CUFPBSQNGSMNOA-TZMCWYRMSA-N 294.351 1.154 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCOC2CCC2)C1 888079285 SRKFYLFGKAFKFU-CHWSQXEVSA-N 265.357 1.741 0 50 CDAA CC[C@H]1C(=O)NCCCN1C(=O)[C@H](C)c1ccccn1 886529839 XNMBJFFYGATOMP-YPMHNXCESA-N 275.352 1.312 0 50 CDAA Cc1noc2ncnc(NCC(C)(C)CS(C)(=O)=O)c12 896097926 RYXDRIVTAFGCQC-UHFFFAOYSA-N 298.368 1.409 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc3c(n2)CCCN3)C[C@H]1CO 899954231 KFGCGZLJGYPAOO-MNOVXSKESA-N 275.352 1.140 0 50 CDAA COCCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H](N(C)C)C1 1565511439 RDYQYDWPTQACDJ-CVEARBPZSA-N 290.407 1.888 0 50 CDAA COc1cc2c(cc1C(=O)N[C@H]1CCOC[C@@H]1O)CCC2 1565511263 UBKCKYMWIHYPJM-KBPBESRZSA-N 291.347 1.064 0 50 CDAA C[C@@]1(NC(=O)c2ncccc2O)CCO[C@H]1C1CC1 275115260 IRGOCFYMOTVYST-GXTWGEPZSA-N 262.309 1.475 0 50 CDAA Cc1cc(C(=O)NC2CCN(CC(C)C)CC2)cnn1 276027406 DJFWQJWCWLFCRW-UHFFFAOYSA-N 276.384 1.635 0 50 CDAA C[C@H](Oc1cccc(F)c1)C(=O)N[C@H]1CCN(C)C(=O)C1 170606096 DZWWPJRBSQDNNG-JQWIXIFHSA-N 294.326 1.330 0 50 CDAA O=C(Nc1cnns1)NC1Cc2ccccc2C1 170612386 RFPFEEQAYXVUBC-UHFFFAOYSA-N 260.322 1.827 0 50 CDAA CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1cccnc1 519407310 GBKAKFJRFHWHEG-RDBSUJKOSA-N 287.363 1.469 0 50 CDAA O=C([C@@H]1C[C@H]1C1CCC1)N1CCN(C2CC2)C(=O)C1 225452984 YFSBLEPLXBWLCL-QWHCGFSZSA-N 262.353 1.256 0 50 CDAA CN(C)C(=O)c1ccc(N2CCc3ccccc3CC2)nn1 520535134 JNFUZUQIXSBVKX-UHFFFAOYSA-N 296.374 1.784 0 50 CDAA O[C@@H](CNC[C@H]1CCC(F)(F)C1)CC1(O)CCOCC1 634713704 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CS(=O)(=O)c1ccc(C(F)(F)F)cc1C(=O)O 15443709 CBZHRYXIYMQKCF-UHFFFAOYSA-N 268.212 1.807 0 50 CDAA in-vitro C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC[C@H](C(=O)O)C1 136166158 OSQPIRUOUZILBX-FRRDWIJNSA-N 283.368 1.905 0 50 CDAA Cc1noc(C)c1C[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)O 136535448 HCXPBHXJTJJOIT-RNCFNFMXSA-N 294.351 1.936 0 50 CDAA C[C@@H](NCc1ncnn1C)[C@@H](c1ccccc1)N(C)C 585117755 VVLIFFBBSFKVTK-DOMZBBRYSA-N 273.384 1.596 0 50 CDAA O=C(Cc1nc[nH]n1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 585140242 AQBUHEUKBQZUMN-GZMMTYOYSA-N 294.717 1.812 0 50 CDAA NC(=O)[C@H](F)C1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 585128822 OFBAZQJYIOTDEQ-MUYACECFSA-N 296.386 1.875 0 50 CDAA CCc1cc(N2CCNC(=O)[C@@H]2C)nc(-c2ccncc2)n1 267301200 UPXWNEWCHUFTGO-NSHDSACASA-N 297.362 1.426 0 50 CDAA CCOC(=O)C=CN1CCN(C(=O)OC(C)(C)C)CC1 1857777826 KRMBOMQQBZQRPA-UHFFFAOYSA-N 284.356 1.616 0 50 CDAA C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cc(Cl)n(C)n1 1875279225 HELJCPVSVRYERD-HTQZYQBOSA-N 285.731 1.399 0 50 CDAA Cc1cnc([C@]2(NC(=O)c3[nH]ccc3C)CCOC2)[nH]1 818668904 XEKBULDYQMRIGA-AWEZNQCLSA-N 274.324 1.400 0 50 CDAA O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H]1c1nn[nH]n1 819443988 JQTDWWHPNRFXGQ-UONOGXRCSA-N 297.362 1.983 0 50 CDAA O=C([C@H]1CCCO1)N1CCc2nc[nH]c2C12CCC2 829076608 MFSWOULUGIPQSM-LLVKDONJSA-N 261.325 1.353 0 50 CDAA CC(C)NC(=O)CN(C)C[C@H]1CCN1C(=O)OC(C)(C)C 933473234 BDBFHVQYWMYPTM-GFCCVEGCSA-N 299.415 1.452 0 50 CDAA CCn1ccc(CNC(=O)C[C@](C)(O)c2ccccc2)n1 840494570 RLLRGGMVKSPXER-INIZCTEOSA-N 287.363 1.817 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CCOc2ccccc21 111184588 NGLLBGUPXHPKSD-VXGBXAGGSA-N 275.304 1.628 0 50 CDAA O=C(C1CC1)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1 225846511 NWFTWIAIHGYTBD-LLVKDONJSA-N 272.339 1.976 0 50 CDAA Cn1c(CNc2c(F)cccc2Cl)cc(=O)n(C)c1=O 122068177 WQJJYMUMSLQYDR-UHFFFAOYSA-N 297.717 1.489 0 50 CDAA CC(C)Oc1cccc(C(=O)N2CCN(C)CC2)c1 6701452 XKPIXQFJKCKXRQ-UHFFFAOYSA-N 262.353 1.861 0 50 CDAA C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)C[C@H](C)N1 153965485 QVQRRBYRVXWRIV-UWVGGRQHSA-N 280.393 1.643 0 50 CDAA O=C(Cc1ccn[nH]1)N1CCC[C@](O)(C(F)(F)F)CC1 287697780 DGCBPHJMCHPFGH-LLVKDONJSA-N 291.273 1.258 0 50 CDAA CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccns2)C1 404273476 MDWLWJHWGAYBSA-GXSJLCMTSA-N 274.411 1.589 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@@H]1CC[C@H](CN)C1 420456841 NQSVWDWRLWCZCE-WCQYABFASA-N 282.409 1.655 0 50 CDAA Cc1cncc(C(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)c1 379267793 KQSQTUTYKPUDOQ-GHMZBOCLSA-N 287.285 1.884 0 50 CDAA Cc1ccncc1NC(=O)[C@@H](CN)C1CCOCC1 864782146 CMHGREFWTZSRLZ-LBPRGKRZSA-N 263.341 1.330 0 50 CDAA O=c1oc(O)nc2c(Br)c(F)c(F)cc12 1772820884 CGHTXKMACVOZRA-UHFFFAOYSA-N 278.008 1.934 0 50 CDAA CC[C@H]1CN(c2[nH]cnc3nc(C(=O)O)cc2-3)CCS1 2325773078 QWFQUMXBHXEAHP-QMMMGPOBSA-N 292.364 1.940 0 50 CDAA CNS(=O)(=O)c1ccc(C)c(C(=O)NC2[C@@H](C)[C@@H]2C)c1 2325797759 ROTQKBZZXDUBGN-UWVGGRQHSA-N 296.392 1.287 0 50 CDAA O=C(CCc1ccc(F)cc1)N[C@@]12CC[C@@H](C1)[C@H](O)[C@@H]2O 2325803931 KPSLKUKWLFQRJY-DDWPSWQVSA-N 293.338 1.149 0 50 CDAA CCNC(=O)c1cc(=NCc2cnc(C(C)C)nc2)cc[nH]1 2325806699 AQJHSJVKJVRFJF-UHFFFAOYSA-N 299.378 1.779 0 50 CDAA CC[C@](C)(NC(=O)/C=C/c1cncc(C)c1)c1nn[nH]n1 2325807207 HSFVBOVKBGMBJY-GJBLVYBDSA-N 286.339 1.358 0 50 CDAA COc1ccc2[nH]ccc(=NC[C@H]3C[C@H](O)CN3C)c2c1 895233759 IMHBCCAFFYXAKL-NEPJUHHUSA-N 287.363 1.142 0 50 CDAA CC1(C)CNC(=O)c2sc(N3CCOCC3)nc2C1 229182 AGBPAAIJQBXSJG-UHFFFAOYSA-N 281.381 1.292 0 50 CDAA COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cccc(O)c1 463344 RWUFQCVPDQGVDD-LBPRGKRZSA-N 292.360 1.700 0 50 CDAA COc1ccc(NC(=S)N2CCN(C)CC2)cc1 37376 CIUDPBBVVQPHBO-UHFFFAOYSA-N 265.382 1.639 0 50 CDAA COc1ccccc1CNCCCN1CCOCC1 2380319 WWBKAIQMRPAGKO-UHFFFAOYSA-N 264.369 1.507 0 50 CDAA CCC[C@@]1(C(=O)O)CN(Cc2cncs2)CC[C@@H]1O 2356136527 YDJALEPNKRIFQP-WCQYABFASA-N 284.381 1.581 0 50 CDAA CCOC(=O)[C@H]1C(=O)NC(N2CCCCC2)=N[C@H]1C(C)C 2441155 QCAZAEYHWCNBBL-NEPJUHHUSA-N 295.383 1.162 0 50 CDAA O=C(c1cc[nH]n1)N1CCC[C@]12CCCN(C1CC1)C2=O 2356136592 AKRMHEJPVIBIIK-HNNXBMFYSA-N 288.351 1.169 0 50 CDAA N=C(N)Nc1nc(-c2ccccc2)c(CC(=O)O)s1 1385090 IIURDQDFVXXPSP-UHFFFAOYSA-N 276.321 1.743 0 50 CDAA Cn1cnc2nc(-c3cccc(S(C)(=O)=O)c3)ncc21 2356155409 FYNRHXBIVIEQNO-UHFFFAOYSA-N 288.332 1.434 0 50 CDAA O=S(=O)(NCCCn1ccnc1)c1cccs1 4386694 VIYAJUVQAGUYER-UHFFFAOYSA-N 271.367 1.313 0 50 CDAA CCN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1 6742700 ZCOMDHKDJGBZIO-NWDGAFQWSA-N 268.357 1.042 0 50 CDAA C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(N)s2)C1 7536026 HXUTWZFOPNBJLY-HTQZYQBOSA-N 286.426 1.717 0 50 CDAA c1cnc(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)nc1 104835261 OCUXVCQBAWIADX-IHRRRGAJSA-N 258.369 1.787 0 50 CDAA Cc1nc(C)n(C[C@@H](C)C(=O)Nc2cccnc2)n1 8714412 LWHUEMYPEOMANJ-SECBINFHSA-N 259.313 1.565 0 50 CDAA Cc1cccc(N([C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 65362825 FQBJBHXMVVALRL-GFCCVEGCSA-N 298.408 1.674 0 50 CDAA C[C@H]1CN(c2cc(NC3CC3)ncn2)CC[S@@](=O)C1 334052398 SNVPGGBRDVHKIB-APBUJDDRSA-N 280.397 1.256 0 50 CDAA Cc1cccc(CS(=O)(=O)N2CCN[C@@H](C)C2)c1 237690817 YXFHMTRCXZMVBP-LBPRGKRZSA-N 268.382 1.119 0 50 CDAA COc1ccccc1C[C@@H]1CCCN([C@@H](C)C(N)=O)C1 229494803 WJTUHWFZJVXOFR-STQMWFEESA-N 276.380 1.824 0 50 CDAA O=C(N[C@H](C(=O)O)C1CC1)c1ccnc(Br)c1 236444635 RKYGCABSEGHSKV-VIFPVBQESA-N 299.124 1.437 0 50 CDAA C[C@@H]1OCC[C@@H]1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 252477350 MNSWCOFXSXDSFR-SUNKGSAMSA-N 298.408 1.504 0 50 CDAA CN(C)CCCNC(=O)c1nc2ccccc2s1 22473344 NAPKFRKJFGJAFA-UHFFFAOYSA-N 263.366 1.978 0 50 CDAA Clc1ccc(-c2noc(N3CCNCC3)n2)cc1 21365110 JSUGHTIRFNMJLZ-UHFFFAOYSA-N 264.716 1.800 0 50 CDAA CC(C)=CC(=O)NCCn1c(S)nnc1C1CC1 152485378 HXLPWCZVGNMISU-UHFFFAOYSA-N 266.370 1.527 0 50 CDAA COc1cccc(C(=O)N2CCC[C@@]3(CCNC3)C2)c1O 67851419 YOINWFPTSNWJQS-INIZCTEOSA-N 290.363 1.617 0 50 CDAA CC(C)CNC(=O)c1cn(C)c(=O)c2ccccc12 62001442 IACQOGRLMWGFQC-UHFFFAOYSA-N 258.321 1.924 0 50 CDAA biogenic COCC(=O)NC[C@@H]1CCCN(Cc2cccc(O)c2)C1 67869178 PGZRSXCKGBEHNU-AWEZNQCLSA-N 292.379 1.367 0 50 CDAA COc1ccc([C@@H](CCO)NC(=O)c2cc(C)n[nH]2)cc1 122982114 AFOWSUOJQQNGNO-CYBMUJFWSA-N 289.335 1.580 0 50 CDAA Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CCNC2)s1 127948928 NDXLLKIXYDUPNC-SNVBAGLBSA-N 267.398 1.742 0 50 CDAA O=C1N[C@](CO)(c2ccccc2)Nc2ccccc21 168807 YNMVIRAYJOOCBK-OAHLLOKOSA-N 254.289 1.687 0 50 CDAA O=C(N[C@H]1CCCNC1=O)c1ccc(Cl)s1 69331326 IMPFHVGSFMNUSS-LURJTMIESA-N 258.730 1.410 0 50 CDAA CC(C)n1cc([C@@]2(O)CCN(c3ccc(F)cn3)C2)nn1 284452415 GRKFRZTYWXDFJG-CQSZACIVSA-N 291.330 1.491 0 50 CDAA CCOC(=O)[C@H](NCc1c(C)nn(C)c1Cl)C1CC1 253427280 DWLOKIZVZCYOQS-LLVKDONJSA-N 285.775 1.813 0 50 CDAA Nc1nccnc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253623459 VMBIXVXCYMICSJ-IJLUTSLNSA-N 290.367 1.215 0 50 CDAA Cn1ncnc1NC(=O)CSC[C@@H]1CCCCO1 151150293 PNZHIRRZBLZYIR-VIFPVBQESA-N 270.358 1.056 0 50 CDAA Cc1cccc2ncnc(N3C[C@@H](C)[C@H](C(N)=O)C3)c12 284570537 IRKFZBIOOJSYHZ-GHMZBOCLSA-N 270.336 1.496 0 50 CDAA O=C(CSc1n[nH]c(O)n1)N1CC[C@H](C2CCCC2)C1 333678334 DTTJMZLGPHONMH-JTQLQIEISA-N 296.396 1.641 0 50 CDAA CN1CC(=O)N[C@H]1c1ccc2c(c1)CCC(C)(C)O2 334604688 LMHDLCJMBYOMEC-CQSZACIVSA-N 260.337 1.850 0 50 CDAA Cc1n[nH]c(C)c1-c1nccc(N2CCC[C@H](O)C2)n1 215607925 QJJRJQOGSQJOHF-NSHDSACASA-N 273.340 1.445 0 50 CDAA CC(=O)N[C@H](CC(=O)N1CC(C)(O)C1)c1ccc(C)cc1 332480145 PAIINKORHNRUQA-CQSZACIVSA-N 290.363 1.156 0 50 CDAA Oc1nnc(C2CCN(C[C@@H]3CCCO3)CC2)o1 450914453 MHRGZHVPISPGMS-JTQLQIEISA-N 253.302 1.134 0 50 CDAA O=C(c1cccnc1N1CCCCC1)N1CCCNCC1 238170929 JWVNTQVZTIVWCD-UHFFFAOYSA-N 288.395 1.507 0 50 CDAA Cn1cnnc1[C@H]1CCCN1c1ncnc2[nH]ccc12 374312995 WYWJEETXDTYJLL-SNVBAGLBSA-N 269.312 1.428 0 50 CDAA CC(C)OCCNc1cc(C2CC(N)C2)nc(N)n1 219089204 BDFRRISUPBNFLB-UHFFFAOYSA-N 265.361 1.100 0 50 CDAA Cn1ncc2c(N)nc(N3CCC[C@H]3c3cccnc3)nc21 375525219 VSRKCPBHKBSXIZ-LBPRGKRZSA-N 295.350 1.682 0 50 CDAA Cn1ccc2c(-c3nccc(N4CC[C@H](O)C4)n3)ccnc21 72164092 GNPJFGIOVDCMRN-NSHDSACASA-N 295.346 1.601 0 50 CDAA CN(Cc1cc[nH]n1)C(=O)[C@@H](O)c1ccccc1Cl 217702000 CGPDHKVDNOFPKD-LBPRGKRZSA-N 279.727 1.755 0 50 CDAA CCc1cnc(C)nc1N1CCC(N2CCCC2=O)CC1 71524367 LDORMNGSDLCOMM-UHFFFAOYSA-N 288.395 1.939 0 50 CDAA O=C(O)CCNC(=O)CCn1ccc2ccccc21 40309828 ZBCUDSQXITVCEL-UHFFFAOYSA-N 260.293 1.622 0 50 CDAA biogenic Cc1nc(NCCNC(=O)C(C)C)cc(C2CC(O)C2)n1 223213918 QYDXXAKOPIIULW-UHFFFAOYSA-N 292.383 1.207 0 50 CDAA O=C(O)[C@H]1C[C@H]1C(=O)NCc1cc(F)cc(F)c1 177940772 QTZBDFUQDVOJQH-ZJUUUORDSA-N 255.220 1.302 0 50 CDAA O=C(CSc1ccncc1)NC[C@H]1CCCOC1 48810396 UEFXSVXGQQBIRA-LLVKDONJSA-N 266.366 1.717 0 50 CDAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)N2CCCO2)cn1 291556742 NHKYERMTFXQSQP-WCQYABFASA-N 293.323 1.267 0 50 CDAA C[C@]1(C(=O)O)CCCCN1C(=O)CCCn1cccn1 426581322 SIGZGCNMIMLPON-CQSZACIVSA-N 279.340 1.519 0 50 CDAA Cn1cc(Br)c(=O)c(Br)c1 84316966 LYSNTLIRWAIQGH-UHFFFAOYSA-N 266.920 1.910 0 50 CDAA Cc1nn(C)c2[nH]c(-c3cnc(N(C)C)nc3)nc12 48482850 OCEZIZMBAFLQHF-UHFFFAOYSA-N 257.301 1.128 0 50 CDAA O=C(Cc1ccncc1)N1CCC(Cn2ccnc2)CC1 222412767 RCYQENVTYFNDGO-UHFFFAOYSA-N 284.363 1.759 0 50 CDAA Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CCCCO2)c1 179113165 NGLNMZKIOIKDHB-GFCCVEGCSA-N 283.349 1.369 0 50 CDAA C[C@@H]1CCCN(C(=O)c2ccc3nccn3c2)[C@@H]1CN 179223482 MXNUFPGUPSUPEG-DGCLKSJQSA-N 272.352 1.534 0 50 CDAA Cc1nc(C(F)(F)F)ncc1CN1CC[C@H]2CNC[C@H]21 426368139 ACCOEVJPRPMPKY-GXSJLCMTSA-N 286.301 1.598 0 50 CDAA O=C(Cc1nc2ccccc2[nH]1)N1CC(N2CCCCC2)C1 426618050 BRNOWISPZQJAMV-UHFFFAOYSA-N 298.390 1.802 0 50 CDAA CN1C(=O)[C@H](CC(=O)NCCC2=CCCCC2)N(C)C1=O 91536898 RYJJEJIRKZIUNG-LBPRGKRZSA-N 293.367 1.276 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)CCc1cnccn1 426503552 MXUAQPQMOGDXSM-LLVKDONJSA-N 288.355 1.459 0 50 CDAA CN(CC1(C)COC1)C(=O)c1nc2ccccc2[nH]1 426648221 YILMGWPHSQFADD-UHFFFAOYSA-N 259.309 1.671 0 50 CDAA Cc1ccc(CC(=O)N(CC(=O)O)C2CCOCC2)s1 237666852 ADRFVTYMDTVYEV-UHFFFAOYSA-N 297.376 1.691 0 50 CDAA c1cc(N2CCCO[C@H](CN3CCCCC3)C2)ncn1 91594399 ZYVDRRAFUZVCMY-CQSZACIVSA-N 276.384 1.558 0 50 CDAA Cc1nc(-c2[nH]nc(C)c2Cl)n(CC(=O)O)n1 97634931 MIYPUXCGZJOREL-UHFFFAOYSA-N 255.665 1.023 0 50 CDAA Cc1cccc2nc(N[C@@H]3COC[C@H]3O)sc12 296125148 WEOIPRJLDXDXDD-NXEZZACHSA-N 250.323 1.776 0 50 CDAA Cc1nnc(-c2ccc(C(=O)N3CC[C@H](N)C[C@@H]3C)cc2)[nH]1 237524433 MQPSXHQGDPXQKD-HZMBPMFUSA-N 299.378 1.732 0 50 CDAA C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCCCC1 247679449 RPFZOBCYOHJRLX-AAVRWANBSA-N 266.385 1.687 0 50 CDAA C[C@@H]1CN(CCCCNc2ncc(F)cn2)C[C@@H](C)O1 269529607 YDTPLFGLKSZJHI-VXGBXAGGSA-N 282.363 1.917 0 50 CDAA CSCC[C@H](NC(C)=O)C(=O)NC1(C2CC2)CC1 534581844 GMNQPPLFMBLAHF-NSHDSACASA-N 270.398 1.303 0 50 CDAA COc1ccc2cc(S(=O)(=O)n3cncn3)ccc2c1 261490586 LYOFSAISMXELJQ-UHFFFAOYSA-N 289.316 1.677 0 50 CDAA CC(C)[C@@H](NS(=O)(=O)c1cccnc1)c1nccn1C 534649321 BXXYNVSAODYWIL-GFCCVEGCSA-N 294.380 1.491 0 50 CDAA Cc1nnc(NC(=O)[C@@H]2CC(=O)OC23CCCC3)nc1C 1940193470 VXXNIJQFYZWPPF-JTQLQIEISA-N 290.323 1.303 0 50 CDAA Cc1ncsc1CCC(=O)N[C@H]1CCc2c[nH]nc2C1 622433016 WQVDSKVQIXGXRQ-NSHDSACASA-N 290.392 1.781 0 50 CDAA COc1c[nH]c(C(=O)N[C@@H](C)c2c(C)n[nH]c2C)cc1=O 584885111 JULJKKBSJGMPIO-ZETCQYMHSA-N 290.323 1.214 0 50 CDAA Cc1nncn1CCN1CC[C@@H](O)CC(C)(C)C1 670456071 XHTKIKMAESTZCX-GFCCVEGCSA-N 252.362 1.069 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2C[C@H]23)C[C@H]1C1CC1 630202155 CVTFOJPUQLKDEU-GRUOELOHSA-N 289.375 1.848 0 50 CDAA COc1ccc(CCNC2=NCCCCN2)cc1F 849216002 PAMJTBFZWGDWQG-UHFFFAOYSA-N 265.332 1.706 0 50 CDAA Cc1ccnc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)c1 952890538 VYSYZQRMDRZRNH-JQWIXIFHSA-N 259.313 1.698 0 50 CDAA O=C(N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 1875292428 HYVYUUVGCAGWIU-KONJUVRLSA-N 261.321 1.258 0 50 CDAA Cc1noc(=O)n1Cc1ccc(F)c2cccnc12 1875391671 RFPWAQJBRXPFHP-UHFFFAOYSA-N 259.240 1.880 0 50 CDAA CN(C)C/C=C/C(=O)NCc1c(F)ccc2nc[nH]c12 1875376844 KIGYLEKZDWHYLT-ONEGZZNKSA-N 276.315 1.436 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1CC12CC(F)(F)C2 1875333336 OYGRCMHZRRKJLW-SGJFDWMWSA-N 259.252 1.267 0 50 CDAA C[C@@H]1C[C@H]1C(=O)NCc1c[nH]nc1-c1ccnn1C 1875312614 GSSKWDWDRYMWJZ-PSASIEDQSA-N 259.313 1.082 0 50 CDAA CS(=O)(=O)Nc1cc(F)ccc1NC(=O)CC1CC1 271539843 VUGSQTKZBXOUGK-UHFFFAOYSA-N 286.328 1.936 0 50 CDAA COc1ccc(CN2C[C@@H](O)[C@H](F)C2)c(Cl)c1OC 952972495 UYFBGTLJVUEMQP-NXEZZACHSA-N 289.734 1.872 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@]2(CCOC2)[C@@H](C(=O)O)C1 958720170 AIGLESZXGPKCOR-QMTHXVAHSA-N 285.340 1.735 0 50 CDAA O=C1NCc2ccc(C(=O)NC[C@@H](O)C3CCC3)cc2N1 1776006533 VOBWEAPXTPJELW-CYBMUJFWSA-N 289.335 1.213 0 50 CDAA N[C@]12CCC[C@@H]1CN(C(=O)Cc1cccc(O)c1)C2 1344101829 DJMMJBDMYYMEBB-DOMZBBRYSA-N 260.337 1.275 0 50 CDAA O=C(c1cnc2[nH]cnc2c1)N1CCC[C@H]1c1ncccn1 898967717 QRZIKUPZWDITFK-LBPRGKRZSA-N 294.318 1.725 0 50 CDAA COC(=O)[C@@H](N)CCCNC(=O)OCc1ccccc1 38202273 BJNJTVSXZUTHRA-LBPRGKRZSA-N 280.324 1.193 0 50 CDAA in-vitro C[C@@H]1C[C@@H](C(=O)N2CCO[C@H](c3nccs3)C2)CCO1 271809894 APOPGRNUASXHEK-WOPDTQHZSA-N 296.392 1.858 0 50 CDAA C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc(O)c1 272762315 QMQCXWMOJBCNEQ-YGRLFVJLSA-N 260.337 1.605 0 50 CDAA COCC1=CCN([C@@H](C)c2nc(COC)no2)CC1 185887456 CCFQYVALVKFYBI-JTQLQIEISA-N 267.329 1.556 0 50 CDAA CCCN(C)C[C@H]1CCN(C(=O)NCc2c[nH]nc2C)C1 274341322 CYODKJBIIMILOG-CYBMUJFWSA-N 293.415 1.591 0 50 CDAA O=C(Nc1cccnc1N1CCC(O)CC1)C1CC1 729270427 DGGSYAGFIJSICL-UHFFFAOYSA-N 261.325 1.391 0 50 CDAA CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1ccc[nH]1)C2 1073261022 HMJYBLNCVCKUNE-NEPJUHHUSA-N 290.367 1.233 0 50 CDAA O=C1NCCCC[C@H]1Sc1nc2ncncc2[nH]1 186767558 UBPGOYCLAGQYQW-MRVPVSSYSA-N 263.326 1.114 0 50 CDAA C[C@H](NC(=O)C1(S(C)(=O)=O)CCC1)c1cccnc1 280393553 WYNIZGVFLPMKMJ-JTQLQIEISA-N 282.365 1.226 0 50 CDAA CC(C)n1ncnc1CNC(=O)c1cc(Cl)cn1C 280885620 ZQSGYJXIKORKQY-UHFFFAOYSA-N 281.747 1.781 0 50 CDAA CCc1nsc(N2CCN(c3cc(C)ncn3)CC2)n1 301483628 XUHRSAGFJQWSLA-UHFFFAOYSA-N 290.396 1.526 0 50 CDAA OC[C@H](CNc1ncc(Cl)cc1F)[C@H]1CCOC1 281131336 YXKOSWDXZXYSDH-IUCAKERBSA-N 274.723 1.931 0 50 CDAA Cc1ncc(C(=O)NCc2cnn(C)c2)c(C(C)C)n1 172133923 DLUVJVKLECEJGV-UHFFFAOYSA-N 273.340 1.572 0 50 CDAA Cc1ccn2ncnc2c1NC(=O)COC[C@@H]1CCCO1 585124765 RAPZXCAKIDDHFR-NSHDSACASA-N 290.323 1.172 0 50 CDAA Cc1cc(NC(=O)COC[C@@H]2CCCO2)c(Cl)nn1 585125087 FZFSCJXUUJJKGC-VIFPVBQESA-N 285.731 1.573 0 50 CDAA C[C@@H]1C[C@@H](CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC(=O)N1 585127511 BUUPWUCRLWVPMF-XHJNMGKDSA-N 278.396 1.844 0 50 CDAA O=C(N[C@H]1CC[C@H](O)CC1)c1cnc2cnccc2c1 282633418 GIRDOMXBLOSTHV-JOCQHMNTSA-N 271.320 1.663 0 50 CDAA Cn1cncc1/C=C/C(=O)N1CCOC2(CCCCC2)C1 408523388 RJRNJACFPCJSAY-AATRIKPKSA-N 289.379 1.995 0 50 CDAA CCC[C@@H]1C[C@H](C(=O)N2C[C@H](C)O[C@H](CO)C2)CCO1 187981346 GDHROFPMQMKKCE-DGAVXFQQSA-N 285.384 1.190 0 50 CDAA COC1([C@@H](C)NC(=O)c2nn(C)cc2C)CCC1 412769896 UQFIYTFMVMCVFA-SNVBAGLBSA-N 251.330 1.416 0 50 CDAA CO[C@H](C)CS(=O)(=O)Nc1ncc(C)s1 225398793 PMQJTFGNHYBOOQ-ZCFIWIBFSA-N 250.345 1.228 0 50 CDAA C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCC1CCC1 225345118 DASODIWMXPICSN-DYEKYZERSA-N 268.401 1.384 0 50 CDAA Cc1nc(C)c(CCNS(=O)(=O)c2ccco2)s1 188678648 XITODIRWTDTKPF-UHFFFAOYSA-N 286.378 1.874 0 50 CDAA Cc1[nH]ccc1C(=O)NC[C@@H]1CCCO[C@H]1c1cc[nH]n1 644188099 RIMUDNOYESBZMR-SMDDNHRTSA-N 288.351 1.944 0 50 CDAA CCn1c(C)cc(C(=O)N2C[C@@H](C)[C@H](CO)C2)c1C 191857624 BIGNPDNULYMNST-MFKMUULPSA-N 264.369 1.825 0 50 CDAA Cn1cc([C@H]2CSCCN2C(=O)[C@@H]2CCCO2)cn1 191997090 HPTWSBOBVDMDMP-NEPJUHHUSA-N 281.381 1.216 0 50 CDAA CC(C)c1cc(C(=O)NC2(c3nnc[nH]3)CCC2)n[nH]1 193371077 RXLIKOCOACSYNH-UHFFFAOYSA-N 274.328 1.460 0 50 CDAA Cc1noc([C@@H](C)N(C)C(=O)N[C@H](C)Cn2ccnc2)n1 653480191 ZDKQVJLFNBJHOX-NXEZZACHSA-N 292.343 1.366 0 50 CDAA COCCN1CCCN(C(=O)C[C@@H]2C=CCC2)CC1=O 195577460 YDHJYQJLKCFNOF-CYBMUJFWSA-N 280.368 1.050 0 50 CDAA CC[C@H](C(=O)N[C@@H]1CNC[C@@H]1OC)c1ccc(OC)cc1 195554047 SCBATRITYQFNPX-ZNMIVQPWSA-N 292.379 1.292 0 50 CDAA C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)O)C2 668295201 LUEIGLFZRFMDMO-YYHQMBLXSA-N 281.352 1.513 0 50 CDAA C[C@@H](CNS(=O)(=O)N1CCCCC1)Oc1cccnc1 1506424578 AZQGEODFBUGOIF-LBPRGKRZSA-N 299.396 1.169 0 50 CDAA CN(C)[C@H]1CCCN(C(=O)/C=C/c2cnc(N)nc2)CC1 1506398874 YPROELPUGKSDNV-GFUIURDCSA-N 289.383 1.015 0 50 CDAA CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@@H]1CCCN1 1506408759 PPVVNOCJDGSHNR-NSHDSACASA-N 292.770 1.927 0 50 CDAA O=C(c1ccccn1)[C@@H]1CCCN(CCn2cnnc2)C1 1529162113 WFWRMUZWEAEZFK-CYBMUJFWSA-N 285.351 1.268 0 50 CDAA CCC=CCCN1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 1857528921 ITTKGIINTAKVFV-NXEZZACHSA-N 264.291 1.938 0 50 CDAA Cc1cc(C)c(C(=O)N(CCO)Cc2ncc[nH]2)cc1C 1704312168 MICLLVDLTVBNCO-UHFFFAOYSA-N 287.363 1.970 0 50 CDAA CNc1ncccc1C(=O)N1CC(Oc2nccs2)C1 1615591540 XUAXZFMMFBVYPB-UHFFFAOYSA-N 290.348 1.483 0 50 CDAA C[C@@H]1C[C@@H](CCNC(=O)N2C[C@H](F)[C@H](F)C2)CCO1 1615571791 PNINJBLLYXXMGY-KXNHARMFSA-N 276.327 1.893 0 50 CDAA COc1cc(C(=O)Nc2nc3ccccc3n2C)ncn1 1625621902 VETRLPQCLOQFQC-UHFFFAOYSA-N 283.291 1.624 0 50 CDAA CC(C)c1cc(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)cs1 216898393 RFDFFZODFBQQDP-JQWIXIFHSA-N 283.393 1.687 0 50 CDAA CNC(=O)[C@@H]1CN(c2ncc(Cl)cc2Cl)CCO1 225823385 YCROBIZJXLLYEZ-VIFPVBQESA-N 290.150 1.340 0 50 CDAA COc1ccc(Br)cc1[C@@H](N)C(=O)O 3676797 GCRUCIXWROVKQR-MRVPVSSYSA-N 260.087 1.542 0 50 CDAA biogenic,in-vitro Cc1c(CNC(=O)N(C)Cc2cscn2)cnn1C 121931903 ALJNNMPIOMPJAR-UHFFFAOYSA-N 279.369 1.527 0 50 CDAA CN(C)C(=O)C[C@]1(O)CCCN(CCC2CCOCC2)C1 643812970 XHRSXZBUULEUTM-MRXNPFEDSA-N 298.427 1.108 0 50 CDAA CN(Cc1noc(C2CC2)n1)C(=O)C1(O)CCCCC1 333947337 VMQKBTKPWVLNNX-UHFFFAOYSA-N 279.340 1.601 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@H](N)C2)nn1C 158043601 MYZOUHSPUORDJB-JTQLQIEISA-N 250.346 1.107 0 50 CDAA CN1CC[C@@H]2CN(C(=O)c3cc(Cl)cn3C)C[C@@H]2C1=O 1772811386 UDHOMJNXQHVGHO-KOLCDFICSA-N 295.770 1.229 0 50 CDAA Cn1cc(Cl)c(C(=O)NCc2cccn3nccc23)n1 1772805649 NXDZMZZCXRUQSO-UHFFFAOYSA-N 289.726 1.651 0 50 CDAA O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCCN1CCCC1=O 12343472 PMFGICCOQLNWPC-NEPJUHHUSA-N 296.367 1.006 0 50 CDAA COc1ccc(OC/C=C/CN2CCOCC2)cc1 16622018 SMAUBHQANSLNLI-NSCUHMNNSA-N 263.337 1.962 0 50 CDAA CCOc1cc(C=O)ccc1OCCN1CCOCC1 19737113 KSIGUWFSCPOXGJ-UHFFFAOYSA-N 279.336 1.609 0 50 CDAA COc1cccc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c1 19794757 NTXXWKAREKTDBY-MJBXVCDLSA-N 295.379 1.544 0 50 CDAA Cc1nc[nH]c1CC(=O)N[C@H]1CCCc2c1c(C)nn2C 1857675111 LGYJEZJPLFFAMV-NSHDSACASA-N 287.367 1.496 0 50 CDAA C[C@@H]1CN2C[C@H](NC(=O)c3ccc(F)cc3)C[C@H]2CO1 1857698785 IDBMGAOAUXNAQS-HONMWMINSA-N 278.327 1.417 0 50 CDAA Cc1cc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)no1 328631612 RCDGTDMRHAXZDC-UONOGXRCSA-N 276.340 1.645 0 50 CDAA CN(C)c1nc(N)c(C(=O)Nc2cccnc2)nc1Cl 7992851 RNGRUHWJJPTYNR-UHFFFAOYSA-N 292.730 1.426 0 50 CDAA in-vitro Cc1noc(C)c1C[C@@H](C)C(=O)NC1(C(=O)O)CC1 237469715 HHIJECRXFGLVDB-SSDOTTSWSA-N 266.297 1.203 0 50 CDAA C[C@H]1CCCCN1C(=O)[C@@H](C)NCc1cncn1C 237780749 ADDVCUWQYAZGHX-NWDGAFQWSA-N 264.373 1.299 0 50 CDAA Cn1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)ccc1=O 237756721 ZWBRKDVECYMXJL-NSHDSACASA-N 292.335 1.102 0 50 CDAA Cc1cc(S(=O)(=O)N2CCC[C@H]3CNC[C@H]32)ccc1F 334984241 VUHNONOALUUXDM-SMDDNHRTSA-N 298.383 1.507 0 50 CDAA COCCO[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 253392170 MRHNWTCRTFVGHF-QWHCGFSZSA-N 271.357 1.067 0 50 CDAA CCOC1CC(C(=O)N2CCOC[C@@H]2c2noc(C)n2)C1 376930479 HNPJIIOPGWSJQN-HTAVTVPLSA-N 295.339 1.093 0 50 CDAA Cc1cc([C@@H]2CN(Cc3cnn(C)n3)CCO2)ccc1F 377868690 KMWFYYCOPOIUIA-HNNXBMFYSA-N 290.342 1.836 0 50 CDAA C[C@@H]1CCC[C@H](CCN(C)C)N1C(=O)c1ccn(C)n1 585128240 WVCHUCQJWSTTIS-CHWSQXEVSA-N 278.400 1.755 0 50 CDAA COc1cc(C)nc(N[C@@H]2CCC[C@@H]2C(=O)O)n1 164109611 UCNILUMTKILOTM-DTWKUNHWSA-N 251.286 1.459 0 50 CDAA CSCC[C@H](O)C(=O)Nc1cc2cc[nH]c2cn1 594390246 YRIWXHRKFGPVND-JTQLQIEISA-N 265.338 1.615 0 50 CDAA CNc1ccc(C)cc1CN[C@@]1(CO)CCOC1 902481372 CDXGETIGCYZVHJ-CQSZACIVSA-N 250.342 1.278 0 50 CDAA CCc1cc(CC(=O)N2CC(=O)Nc3ccccc32)n(C)n1 929260738 DKUXGLIODSJBSU-UHFFFAOYSA-N 298.346 1.510 0 50 CDAA Cc1cnc(CNC[C@H](O)c2ccccc2F)o1 231652318 PMLIHNVEVROEJR-LBPRGKRZSA-N 250.273 1.945 0 50 CDAA CC(C)C[C@@H]1COCCN1C(=O)c1ccc(C(=O)O)o1 236644929 XXYCYUWBVQMFRP-SNVBAGLBSA-N 281.308 1.865 0 50 CDAA CC1(C)C[C@@H](O)CCN(c2ncnc(N)c2Cl)C1 296131298 WOFYSRMUDAYHKI-QMMMGPOBSA-N 270.764 1.700 0 50 CDAA CC(C)n1nccc1C(=O)N1CC[C@@H](O)C1(C)C 334687855 SCZNACHNIVXSJY-LLVKDONJSA-N 251.330 1.449 0 50 CDAA c1cnn(-c2ccc(-c3n[nH]c(N4CCOCC4)n3)cc2)c1 2100473145 AEXOADJZEAOWHF-UHFFFAOYSA-N 296.334 1.494 0 50 CDAA Cc1cc(F)c2c(c1)N[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)O)C1)C2 905292718 QVHYZUZTXUBZRO-VYUIOLGVSA-N 292.310 1.450 0 50 CDAA COC(=O)[C@@H]1CCCC2(CCC3(CC2)OCCO3)O1 953033792 LINQILFVWJDYGV-NSHDSACASA-N 270.325 1.784 0 50 CDAA CCc1nnc(NS(=O)(=O)c2ccccc2)s1 315586 SUVDTOPYLBFRLE-UHFFFAOYSA-N 269.351 1.901 0 50 CDAA COc1ccc(CNC(=O)CCC(=O)O)cc1OC 615900 MFOUOORWVOMNSF-UHFFFAOYSA-N 267.281 1.185 0 50 CDAA O=C(O)CCSc1nnc(-c2ccncc2)o1 800916 HSRJAFMGXXALCQ-UHFFFAOYSA-N 251.267 1.698 0 50 CDAA O=C(Cn1c(=O)sc2ccccc21)OCCF 2494428 YBTNMBIBJOMKAM-UHFFFAOYSA-N 255.270 1.576 0 50 CDAA Cn1cc(NC(=O)c2cccs2)nc1C(=O)O 2541361 IYVFSBFECHKKJX-UHFFFAOYSA-N 251.267 1.432 0 50 CDAA COc1cc2c(cc1-c1cc(CO)ccn1)OCO2 2356164134 GRGCTKGOPWVRIZ-UHFFFAOYSA-N 259.261 1.978 0 50 CDAA CCOc1ccc(CN[C@H](CC)CO)cc1OC 4840594 GAWWZMNWLLDFME-GFCCVEGCSA-N 253.342 1.954 0 50 CDAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc(C)n1 247983389 YESNXVJKPXCWRR-LSDHHAIUSA-N 288.395 1.874 0 50 CDAA OCC[C@@H]1CNCCN1Cc1c(F)cccc1Cl 20219131 XEVOTRDYGJQNRJ-SNVBAGLBSA-N 272.751 1.635 0 50 CDAA COc1ccccc1N1CCN(c2ncccc2CN)CC1 22263649 VCCABYVYLPNGBV-UHFFFAOYSA-N 298.390 1.876 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CC[C@H](C(N)=O)C1 141399157 UUVXUBXEHSIRJW-NWDGAFQWSA-N 297.399 1.193 0 50 CDAA CC(=O)Nc1nc(C(=O)N2CCN(C)CC2(C)C)cs1 346919822 WKBCEIBZHLGGRK-UHFFFAOYSA-N 296.396 1.268 0 50 CDAA Cc1cccnc1NC(=O)Cn1nnc2ccccc2c1=O 27651989 JTEXPYBPLOHWSL-UHFFFAOYSA-N 295.302 1.134 0 50 CDAA C[C@@H](Cn1ccnc1)NCc1ccc2c(c1)n(C)c(=O)n2C 67910281 BZDZWSJUAGNWRJ-LBPRGKRZSA-N 299.378 1.252 0 50 CDAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cc(C)no1 229556772 PYJZWQRMMFZXJE-HUUCEWRRSA-N 277.368 1.958 0 50 CDAA CCCOC[C@H]1CCN(c2cc(N(C)C)ncn2)C1 65465780 TUTMGHQBTURBAB-LBPRGKRZSA-N 264.373 1.796 0 50 CDAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCNC(=O)[C@H]2C)C1(C)C 230154846 UBVJULKGHIPRCX-IJLUTSLNSA-N 264.369 1.572 0 50 CDAA CNc1ccnc(N(C)CCN2CCCC[C@H]2C)n1 65405013 CQZPUYVQCBICBE-GFCCVEGCSA-N 263.389 1.829 0 50 CDAA CN1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 23017913 ICVRUIVYVCFYGR-UHFFFAOYSA-N 294.424 1.208 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H]1CCSC1 328634334 MPHPFZDZVJYMLL-WOPDTQHZSA-N 267.398 1.828 0 50 CDAA CCC(=O)c1ccc(OCCN2CCN[C@H](C)C2)cc1 33359730 DGTWDTJYFDFSEZ-CYBMUJFWSA-N 276.380 1.952 0 50 CDAA C[C@@H](C(=O)N1CCSCC1)N(C)CC(F)(F)F 431741923 DEIOQVXCCGDAHO-QMMMGPOBSA-N 270.320 1.444 0 50 CDAA O=c1c2ccncc2ncn1Cc1nnc2n1CCCCC2 432665867 DVFCZGCTWPNMHD-UHFFFAOYSA-N 296.334 1.158 0 50 CDAA CSc1ccc2c(c1)CCN(C(=O)[C@H]1CCNC1)C2 216433357 FXXKEMIOGMCKSN-LBPRGKRZSA-N 276.405 1.903 0 50 CDAA O=C(Nc1cc2cc[nH]c2cn1)[C@@H]1CCCS(=O)(=O)C1 606445571 SWLVBSBRRYMWBX-SNVBAGLBSA-N 293.348 1.326 0 50 CDAA CC(=O)N[C@@H](C(=O)N1CCC(C(=O)O)CC1)C1CCCC1 236712899 WGNQJBWYJDRJNR-CYBMUJFWSA-N 296.367 1.005 0 50 CDAA O=C(Cc1noc([C@@H]2C[C@@]23CCNC3)n1)Nc1ccccc1 261814384 SYPNQUXXXUCEEZ-BLLLJJGKSA-N 298.346 1.718 0 50 CDAA C[C@@H](c1ccccn1)N(C)Cc1cn[nH]c1C(=O)O 71774493 ISJMJAAHKJDXSE-VIFPVBQESA-N 260.297 1.696 0 50 CDAA COC1(C)CN(C(=O)Cc2cc(F)c(F)cc2F)C1 334154067 QFTSXROEJVCKSP-UHFFFAOYSA-N 273.254 1.894 0 50 CDAA O=C(Cc1ccc(O)cc1Cl)N1CCC[C@H]1CO 133437967 IPDFKQOMGAVKQU-JTQLQIEISA-N 269.728 1.571 0 50 CDAA O=C(c1csc(O)n1)N1CCOCC12CCC2 334630325 HZMFRALPDFZVHJ-UHFFFAOYSA-N 254.311 1.244 0 50 CDAA COc1cccc2c1OCCCN(C(=O)c1cn[nH]n1)C2 72128098 DPTNJSBEIXRNQP-UHFFFAOYSA-N 288.307 1.238 0 50 CDAA CC(C)CC1(C(=O)N2CCN([C@H]3CCNC3)CC2)CCC1 377529983 KNKIOOKBSQMPRU-HNNXBMFYSA-N 293.455 1.709 0 50 CDAA CC(C)c1nccn1C[C@@H]1CCCN1S(C)(=O)=O 377797670 YKRAURRDXBZJIE-NSHDSACASA-N 271.386 1.431 0 50 CDAA O=C1C[C@H](CN=c2cccc(-n3ccnc3)[nH]2)CN1C1CC1 378600728 QYIODAXJFXPMCZ-GFCCVEGCSA-N 297.362 1.112 0 50 CDAA O=C(NCc1cnn(Cc2ccccc2)c1)c1ccno1 215607850 GSEVYZPJRRPJIO-UHFFFAOYSA-N 282.303 1.849 0 50 CDAA CCn1cc(C(=O)N2CCC[C@]2(CO)CC(C)C)cn1 241926409 UFZYPRCMJNDNAA-OAHLLOKOSA-N 279.384 1.916 0 50 CDAA 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252.251 1.616 0 50 CDAA CCCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)CC)CC1 4712042 QOBOCJCVDYUSEQ-NSHDSACASA-N 290.429 1.353 0 50 CDAA CN(C)C(=O)CSc1nc2ccccc2[nH]c1=O 6700600 IOIVFWPWZQRSHK-UHFFFAOYSA-N 263.322 1.103 0 50 CDAA CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)C)cc1 7871979 CNJQLUGUHJFFPW-UHFFFAOYSA-N 270.354 1.174 0 50 CDAA Cc1cccc(CC(=O)NC[C@H]2CCCC(=O)N2)c1Cl 345549465 XFTZNDXSZDKYJK-GFCCVEGCSA-N 294.782 1.976 0 50 CDAA Cc1cnc(C)c(N2CCN(Cc3cc(C)on3)CC2)n1 20454464 RFCZXMVQJDBJGF-UHFFFAOYSA-N 287.367 1.712 0 50 CDAA CC(=O)Nc1ccc(CN2CCC[C@@H](CO)C2)cc1 23114710 WISZMOROTTWOPT-CQSZACIVSA-N 262.353 1.849 0 50 CDAA CCCc1cc(=O)n2nc(COc3ccccc3)nc2[nH]1 101294712 KIFXKFGKGQFISJ-UHFFFAOYSA-N 284.319 1.949 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NC2=O 51943361 XGZBXPKVWLHOFO-UHFFFAOYSA-N 268.313 1.050 0 50 CDAA O=C(NCCc1nc2ccccc2s1)N1CCOCC1 53909535 HQQLBJIRGDYANR-UHFFFAOYSA-N 291.376 1.881 0 50 CDAA O=C(Cn1c(NCCO)nc2ccccc21)c1ccco1 100001694 GCOMQFXQOVNZHD-UHFFFAOYSA-N 285.303 1.916 0 50 CDAA O=C(CCc1nc2ccccc2[nH]1)N1[C@H]2CC[C@@H]1CCNC2 67714358 ZMGNVNRVTGKYBS-OLZOCXBDSA-N 298.390 1.848 0 50 CDAA C[C@@H]1CCCN(Cc2cnc(N(C)C)nc2)[C@H]1C(=O)O 424417943 MPZAVTLZJXOHAS-ZYHUDNBSSA-N 278.356 1.228 0 50 CDAA Cc1cc(NCCN2CCNC2=O)nc(-c2ccccc2)n1 65382686 SPHXJHRMWPBPFU-UHFFFAOYSA-N 297.362 1.889 0 50 CDAA Cc1ncccc1CN1CC[C@@H](N(C)Cc2ncccn2)C1 328623654 CAXPWYWBMZQUNE-MRXNPFEDSA-N 297.406 1.886 0 50 CDAA CS[C@@H](C)CC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328626748 MASBZSRJJKGHGB-WDEREUQCSA-N 282.413 1.366 0 50 CDAA CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cscn1 328643784 YXKLKHUELCLBTC-SNVBAGLBSA-N 276.365 1.674 0 50 CDAA CC/C=C/CCN1C[C@H](OC)C[C@H]1c1ncn[nH]1 284602696 LOGNRYSCMUBHNT-RVAOTSRCSA-N 250.346 1.923 0 50 CDAA COc1cc(-n2cc(CCO)cn2)ccc1NC(C)=O 65488254 HNGORVZCDWLMKK-UHFFFAOYSA-N 275.308 1.374 0 50 CDAA CC(=O)N[C@@H]1CCN(C(=O)NCC2=CCCCC2)C1 333512440 JHOCSONEYWOXHP-CYBMUJFWSA-N 265.357 1.407 0 50 CDAA CN1CCc2onc(-c3cccc(CN)c3)c2C1=O 35605815 WDRFAAPRKVMACK-UHFFFAOYSA-N 257.293 1.428 0 50 CDAA CS(=O)(=O)C1(C(=O)N2CCC23CCC3)CCC1 330004778 BKBJAHMMNWTAPT-UHFFFAOYSA-N 257.355 1.109 0 50 CDAA C[C@H](CNS(C)(=O)=O)Oc1ccc(Cl)cc1 173933291 GZNCBGCGZRTGSY-MRVPVSSYSA-N 263.746 1.657 0 50 CDAA COCc1noc([C@H](C)N[C@H]2CCCC[C@@H]2CO)n1 124990367 RGSSMHKFNNLJBB-AXFHLTTASA-N 269.345 1.418 0 50 CDAA C[C@H]1c2ccccc2CN1C(=O)[C@@H]1CCCN(C(N)=O)C1 334439639 VAPFKWSDVLULLX-WCQYABFASA-N 287.363 1.881 0 50 CDAA O=C(NC1CC1)[C@@H]1CN(Cc2cc3ccccc3[nH]2)CCN1 72145698 ZYAWAMVCRRMESL-INIZCTEOSA-N 298.390 1.220 0 50 CDAA O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cnn[nH]1 72171211 MZLBTZFIJOSDAM-AWEZNQCLSA-N 285.351 1.372 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 155575474 BIRQPUPSEAMEFX-SNVBAGLBSA-N 289.314 1.667 0 50 CDAA COc1ccc(F)c(C(=O)N(C)Cc2ccn[nH]2)c1F 216141763 ZPPQPSBZOWAYOB-UHFFFAOYSA-N 281.262 1.969 0 50 CDAA COC(=O)/C=C\S(=O)(=O)c1ccc([N+](=O)[O-])cc1 33774533 RSCZGJWVZORLAL-SREVYHEPSA-N 271.250 1.055 0 50 CDAA COC(=O)C1CCN(C(=O)COc2ccc(C)cc2)CC1 35151703 UZUBLQBCDWFDLG-UHFFFAOYSA-N 291.347 1.785 0 50 CDAA COc1ccc(C(=O)N[C@@H](CCO)C2CCCCC2)nn1 129938853 UQNIFZCCLZWGTF-LBPRGKRZSA-N 293.367 1.546 0 50 CDAA CC(C)(C)OC(=O)NCC1CN([C@@H]2CCCNC2)C1 39952021 INADAXASGPTAFL-GFCCVEGCSA-N 269.389 1.195 0 50 CDAA Cc1cnc(CNC(=O)c2ccccc2[C@H]2CCNC2)cn1 72166865 IYRJKFKOCNCMAQ-ZDUSSCGKSA-N 296.374 1.792 0 50 CDAA O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCCN1 262647370 JLLYVBSZRMFTSA-SNVBAGLBSA-N 274.349 1.896 0 50 CDAA CO[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 376886554 HLVXVWPKZABLIA-UTUOFQBUSA-N 278.356 1.086 0 50 CDAA O=C(NCCn1cnc2ccccc2c1=O)c1cccnc1 32123890 RRENZDVKJXKZJE-UHFFFAOYSA-N 294.314 1.222 0 50 CDAA biogenic CCN1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H](C)CSC 241316717 LUHUULSRFSAWEP-YNEHKIRRSA-N 286.441 1.307 0 50 CDAA C[C@H](O)CNS(=O)(=O)c1cc(Cl)ccc1Cl 32498333 FJZXXUUAQXSJQG-LURJTMIESA-N 284.164 1.653 0 50 CDAA CCOCCNC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1C 340021816 BLQMNBITUOMFBD-RYUDHWBXSA-N 270.373 1.082 0 50 CDAA COCC1(NC(=O)Cn2nc(C)c(C)c2C)CCCC1 215610869 LKZIBYLWRMTZFQ-UHFFFAOYSA-N 279.384 1.884 0 50 CDAA CCc1nc(N[C@@H](C)c2n[nH]c(C)n2)c2cnn(C)c2n1 72147951 HOTGARAEGCRJMT-ZETCQYMHSA-N 286.343 1.525 0 50 CDAA CC(C)c1nncn1CCNC(=O)[C@H]1C[C@H]1C1CC1 176110817 CYCBWMJOPHCBBR-RYUDHWBXSA-N 262.357 1.564 0 50 CDAA Cn1cc(CCCNC(=O)[C@@]2(C)CCCO2)cn1 131480631 CCUPRFRHJLWHNW-CYBMUJFWSA-N 251.330 1.038 0 50 CDAA C[C@H]1CCCN(c2cc(N(C)C[C@@H](C)C(=O)O)ncn2)C1 263550288 KFPRECHVYPIYAR-NWDGAFQWSA-N 292.383 1.870 0 50 CDAA Cc1nc(CN2CCN(c3cnn(C)c3)C(=O)C2)cs1 177421037 DPKOUFUSEKSCAD-UHFFFAOYSA-N 291.380 1.034 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)C1[C@@H]2CCCC[C@@H]12 136526215 SJXXQTPPKPMSSW-GMTAPVOTSA-N 251.326 1.888 0 50 CDAA CN(C(=O)c1cc(C(C)(C)C)nn1C)[C@@H]1CCNC1 179108409 LLUHGLJFIVKYAA-SNVBAGLBSA-N 264.373 1.152 0 50 CDAA Cc1ccc2cc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)n(C)c2c1 426361296 OILOTIKDBFJSIA-JYAVWHMHSA-N 298.342 1.889 0 50 CDAA Cc1c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)[nH]c2ccccc12 426405083 DIDWMQNQAUHLIB-PJXYFTJBSA-N 284.315 1.879 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)CCc1cccc(F)c1F 269002656 ZYCQOZYYALNKTF-NSHDSACASA-N 299.273 1.209 0 50 CDAA CCN(CCO)C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 426635359 KXQCBBADOZVLCY-LBPRGKRZSA-N 282.388 1.322 0 50 CDAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1CCOC1=O 95511977 LIUZJUSFTQIFRW-SNVBAGLBSA-N 292.310 1.946 0 50 CDAA COCCc1noc(CN2C(=O)OC[C@@H]2C(C)C)n1 95525420 DNTKCXUQYFHVNJ-SECBINFHSA-N 269.301 1.235 0 50 CDAA CCOc1ccc(S(=O)(=O)CC(=O)OC)cc1 96511680 HRAOJMZGFKUPCO-UHFFFAOYSA-N 258.295 1.032 0 50 CDAA COC[C@]1(O)CCN(Cc2ncc[nH]2)CC1(C)C 91493272 IHLWFVHQOCXODG-CYBMUJFWSA-N 253.346 1.019 0 50 CDAA COc1ccc(-c2cc(N)ncn2)c(-n2cccn2)c1 97743376 CDSQEUMSDOCFKW-UHFFFAOYSA-N 267.292 1.920 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@]1(C)O 91445271 ZMNXJSWVPFQZTD-BMIGLBTASA-N 277.320 1.301 0 50 CDAA CC(=O)N1CCC(c2nc([C@H]3CCOC3)no2)CC1 96167116 VWBXSWQDUQRFGB-NSHDSACASA-N 265.313 1.299 0 50 CDAA CC(=O)NCCCc1nc2c3ccccc3ncn2n1 521398828 HFMWXBPRBVYZPC-UHFFFAOYSA-N 269.308 1.346 0 50 CDAA CC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ncnn1CC 244811687 SJJBMHAEXYSNEQ-SNVBAGLBSA-N 299.338 1.450 0 50 CDAA O=C(CC1(O)CCCCC1)N1CCO[C@@]2(CCOC2)C1 183827280 QPNPNESKHSALES-HNNXBMFYSA-N 283.368 1.090 0 50 CDAA O=C(c1ccnnc1)N1CCSC[C@H]1c1nccs1 184160457 IGKOKGSTSDGTPA-JTQLQIEISA-N 292.389 1.863 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](CC(=O)O)C2)O1 299752458 UEKJXNQXKLJMCV-UTUOFQBUSA-N 285.340 1.036 0 50 CDAA O=C([C@@H](O)c1cnc[nH]1)N1CCO[C@@H](c2ccccc2)C1 864698720 XRNRBTXDKRMOHS-KGLIPLIRSA-N 287.319 1.043 0 50 CDAA C[C@@H](NC(=O)c1nc[nH]n1)c1ccc2c(c1)OCCCO2 534649546 MSLSOPXNHINHKC-SECBINFHSA-N 288.307 1.457 0 50 CDAA C[C@@H](NC(=O)c1cn2cccnc2n1)c1nc(C2CC2)no1 534661883 WSZSJSOWFMAQGB-MRVPVSSYSA-N 298.306 1.481 0 50 CDAA COCC1(CNC(=O)c2nc(C)c[nH]2)CCCC1 534674690 XIUVZDPVWMCIPQ-UHFFFAOYSA-N 251.330 1.655 0 50 CDAA O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cn1 299872819 NWUUUTJFBHEOLX-HZQMYPQZSA-N 278.695 1.402 0 50 CDAA Cc1nonc1OCCNc1cc([C@H]2CCOC2)ncn1 299793643 HCFPSAHZQWPUSY-JTQLQIEISA-N 291.311 1.163 0 50 CDAA Cc1cccc([C@@H](NS(=O)(=O)N2CCCC2)C2CC2)n1 825230631 NAZUKSGENBYSRB-AWEZNQCLSA-N 295.408 1.771 0 50 CDAA C[C@@H](Cn1cncn1)C(=O)N1CCC(F)(F)CC1 820621590 XDZLZCXAJCJIHA-VIFPVBQESA-N 258.272 1.172 0 50 CDAA Cc1nc2nc(=N)n(-c3ccccc3)n2c(C)c1C 575009883 MUOGVCCCZQZSGZ-UHFFFAOYSA-N 253.309 1.925 0 50 CDAA C[C@@H](Cn1cncn1)c1ncnn1-c1ccncc1 822279757 BZQTVFVJXQMNSP-JTQLQIEISA-N 255.285 1.058 0 50 CDAA O=C(CC1CC1)NCC1(C(F)(F)F)CCNCC1 725264721 NDUJFEDNSQWCMD-UHFFFAOYSA-N 264.291 1.835 0 50 CDAA COc1nc(NCCCn2cc(Cl)cn2)ncc1F 824845730 BJXHNOFJHKLDLI-UHFFFAOYSA-N 285.710 1.976 0 50 CDAA COc1nc(N(C)CC2(CO)CCCC2)ncc1F 670469355 PYUNIYZIAACIIG-UHFFFAOYSA-N 269.320 1.613 0 50 CDAA c1ncc(-c2noc([C@@H]3CCc4nn[nH]c4C3)n2)s1 952895298 TYMUEUVYJXXVJB-ZCFIWIBFSA-N 274.309 1.584 0 50 CDAA O=C(N1CCC(c2noc(C(F)F)n2)CC1)C1(O)CC1 1875293333 MNHWGRAHYWHWTF-UHFFFAOYSA-N 287.266 1.238 0 50 CDAA COc1c(NC(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c(C)nn1C 1875292595 NIYPSSHDHNAXDK-ZJUUUORDSA-N 295.339 1.567 0 50 CDAA NS(=O)(=O)c1sccc1CN[C@@H]1CC=CCC1 1875285000 YRSRGBYQTZXQGO-SNVBAGLBSA-N 272.395 1.594 0 50 CDAA CCn1cc(S(=O)(=O)N=S2(=O)CCCC2)nc1C 1875280165 XYSNPYXFIYXSHJ-UHFFFAOYSA-N 291.398 1.162 0 50 CDAA Cn1cc(C[N@]2C[C@@H]2COc2ccc3c(c2)COC3=O)cn1 1875379487 RHQNVJHJUDHSOS-BFUOFWGJSA-N 299.330 1.354 0 50 CDAA Cn1cc(C[N@]2C[C@H]2COc2ccc3c(c2)CCOC3)cn1 1875379695 UVZFFQPHIPXNHV-OXJNMPFZSA-N 299.374 1.756 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)([C@H](N)c2nccs2)C1 958528534 PULZXOQQKAYQEG-MRVPVSSYSA-N 285.369 1.125 0 50 CDAA COCC(C)(C)c1noc(-c2cccc3nn[nH]c23)n1 952876173 DOVXKWNLVSOJDX-UHFFFAOYSA-N 273.296 1.932 0 50 CDAA O=C(NCCc1ccc2c[nH]nc2c1)[C@]12CCC[C@H]1NCC2 1775788444 RPPSPDFFEWJAOQ-WBVHZDCISA-N 298.390 1.754 0 50 CDAA Cc1noc(CNC(=O)C(F)(F)[C@@H](O)c2ccccc2)n1 1775994407 IWUGGLFRSQQIAK-NSHDSACASA-N 297.261 1.363 0 50 CDAA COC(C)(C)c1noc(-c2cnc3[nH]cncc2-3)n1 1775992126 JQVNZGCNZNXJEE-UHFFFAOYSA-N 259.269 1.841 0 50 CDAA Cc1c(C(=O)NC[C@H](CO)C(C)C)ccc2cncn12 1776002272 YZOZRTYIEKPPQO-GFCCVEGCSA-N 275.352 1.637 0 50 CDAA CCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C(=O)O)cc1 1565528556 MFMLDQSVPRINJE-STQMWFEESA-N 293.319 1.447 0 50 CDAA Cn1cc(NC(=O)c2ncnc3ccsc23)cn1 1463890647 VNYLQFMBUCLOLW-UHFFFAOYSA-N 259.294 1.677 0 50 CDAA CC(C)CN1CCN(c2ccnc(N(C)C)n2)[C@@H](C)C1=O 548615017 PDIUPHQZJRENDW-LBPRGKRZSA-N 291.399 1.236 0 50 CDAA COc1ccc2c(c1)[C@H](NC[C@@H](CO)[C@@H]1CCOC1)CC2 280798631 IFFYMOMUEBBSMJ-JKIFEVAISA-N 291.391 1.917 0 50 CDAA CN(C)CCc1ccc(NC(=O)[C@@]2(C)CCNC2=O)cc1 585121006 BOYXLHZFUFCUEW-INIZCTEOSA-N 289.379 1.255 0 50 CDAA COC(=O)C1(Cn2nc(Cl)cc(C3CC3)c2=O)CC1 585123110 VTUDATKUVMYCBO-UHFFFAOYSA-N 282.727 1.727 0 50 CDAA Cc1nc([C@@H](NC(=O)c2cccn2C)[C@H](C)O)cs1 585130446 QDWRVBQERINSSS-UFBFGSQYSA-N 279.365 1.642 0 50 CDAA COc1nccc(NC(=O)N2[C@@H](C)CC[C@H]2C)n1 407986869 VTMCSQQNPHQAPI-DTORHVGOSA-N 250.302 1.890 0 50 CDAA CC(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)CC1(O)CCOCC1 408474641 IKHDVVDBWVAXIN-KBPBESRZSA-N 299.411 1.438 0 50 CDAA CCn1c(SC[C@@H]2CNC(=O)O2)nnc1-c1ccco1 408526037 IGMZHAOXDRBZFB-QMMMGPOBSA-N 294.336 1.759 0 50 CDAA CCn1cnc2c(NCc3cnc(Cl)cn3)ncnc21 408524230 RIDJMYPPVWWUSW-UHFFFAOYSA-N 289.730 1.902 0 50 CDAA c1ccc([C@@H](NC[C@H]2CCN(C3CC3)C2)c2nnc[nH]2)cc1 225632356 MQYXXSAJIBRTAP-CZUORRHYSA-N 297.406 1.968 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CC[C@H](C)S(=O)(=O)CC1 192323139 AVZDVFQTNFIJOL-NSHDSACASA-N 299.367 1.783 0 50 CDAA Cn1cc(C(=O)NNc2cnc3ccccc3n2)ccc1=O 193497211 MVKOJZWKCXWRKF-UHFFFAOYSA-N 295.302 1.085 0 50 CDAA CNC(=O)NC1CCN(c2cnc3ccccc3n2)CC1 665752250 GRJDNDXIWWNSHF-UHFFFAOYSA-N 285.351 1.528 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCC=C(c2ccncc2)C1 908173446 KURRFIZTVPDCCR-UHFFFAOYSA-N 299.374 1.732 0 50 CDAA O=C(NCCOCCO)c1ccc2sccc2c1 92037354 SGOQCSOFPBMLJE-UHFFFAOYSA-N 265.334 1.640 0 50 CDAA Cc1nc(C)c(C(=O)Nc2nnc(CCN(C)C)s2)o1 1529179187 WCSMJGHRCHRVBA-UHFFFAOYSA-N 295.368 1.499 0 50 CDAA CCN1C[C@@H](CN(C)c2ncccc2C(=O)O)CC1=O 1529117936 FFGALSFRSQWNCX-SNVBAGLBSA-N 277.324 1.084 0 50 CDAA Cc1cc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)on1 1529110794 PBLOXMJILIGWCS-BXUZGUMPSA-N 276.340 1.050 0 50 CDAA CCCN1CCCC[C@H]1C(=O)N1CC[C@H](CNC)C1 408523356 RGTXIGOLOJSJPJ-KGLIPLIRSA-N 267.417 1.319 0 50 CDAA O=C(/C=C/CO)N[C@H]1CCOC2(CCCCC2)C1 1615586516 OFGJUKNTXLAZGQ-ITKZLYELSA-N 253.342 1.533 0 50 CDAA Cc1cc(C(=O)N2C[C@H](O)[C@@H](F)C2)cc2sc(N)nc12 1616097280 ZOMQHECXLYUJHI-IUCAKERBSA-N 295.339 1.342 0 50 CDAA CO[C@H]1CN(c2ccnc(C(C)C)n2)C[C@H]1OC 487063808 UXYMLIVLMHMGBQ-PHIMTYICSA-N 251.330 1.450 0 50 CDAA Cn1nccc1-n1nc([C@@H]2CCOC2)nc1C1CC=CC1 1772810070 IKPXJGKAYSSORC-GFCCVEGCSA-N 285.351 1.938 0 50 CDAA Cc1ncc(CO)c2cc(-[n+]3ccccc3)c(=N)oc12 1775973151 MBGIMPBBOOVDMA-UHFFFAOYSA-N 268.296 1.385 0 50 CDAA CN1CCN(C(=O)c2c(F)cccc2Cl)CC1 13329755 YKETVMDUQBILKX-UHFFFAOYSA-N 256.708 1.867 0 50 CDAA O=C(c1c[nH]cn1)N1CCO[C@H](Cc2cccc(F)c2)C1 15064973 IIONDCQSFOJKQN-CYBMUJFWSA-N 289.310 1.633 0 50 CDAA CCC[C@@H](C)NC(=O)c1cnc2sccn2c1=O 16649769 NATKOKCPWAUMFG-MRVPVSSYSA-N 265.338 1.674 0 50 CDAA O=C(c1cc2n(n1)CCC2)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 333339341 XRJXUIHGYPFQFP-GVXVVHGQSA-N 275.352 1.062 0 50 CDAA COc1cc(NC(=O)c2cccc3nccnc23)ncn1 1875249784 AQNZCVSKMVDMFZ-UHFFFAOYSA-N 281.275 1.681 0 50 CDAA O=S(=O)(NC1CC1)c1ccc(Br)cc1 186253 NSAVNBOCCCUKQS-UHFFFAOYSA-N 276.155 1.890 0 50 CDAA in-vitro C[C@]1(C(=O)Nc2cc3cc[nH]c3cn2)CCC(=O)NC1 606444814 FHMUVUPYDAOTSB-AWEZNQCLSA-N 272.308 1.418 0 50 CDAA CCOCCOCCOC(=O)c1ccccc1O 1596152 UHTJMBHXTUBHKT-UHFFFAOYSA-N 254.282 1.602 0 50 CDAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCN(c2ccccn2)CC1 225488694 LMGPHAWKDHUEBP-SOUVJXGZSA-N 283.375 1.942 0 50 CDAA O=C(C[C@@H]1CC[C@@H]2C[C@H]12)N[C@H]1CCc2nc[nH]c2C1 333380616 BCHUXALUUFKZDD-RHYQMDGZSA-N 259.353 1.819 0 50 CDAA CC(C)(C(=O)N1CCO[C@H](C(=O)O)C1)c1ccc(F)cc1 236692609 PANCBAMCBDLAES-LBPRGKRZSA-N 295.310 1.415 0 50 CDAA CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)O)s1 236664025 IYMPHRVAIICXNZ-SNVBAGLBSA-N 296.348 1.073 0 50 CDAA CCn1nccc1C(=O)N1CCC[C@H](c2nccn2C)C1 768142523 CFBCIAUYPVGZIG-LBPRGKRZSA-N 287.367 1.656 0 50 CDAA Cc1cc(C)c(C(=O)N2CC[C@H](CC(N)=O)C2)c(C)c1 377420351 NLVXREWLITUDCL-CYBMUJFWSA-N 274.364 1.949 0 50 CDAA CCS(=O)(=O)N(C)CCCNc1ncnc2[nH]ccc12 263811258 UFFJKVOYDVLPPL-UHFFFAOYSA-N 297.384 1.041 0 50 CDAA C[C@H]1CN(C(=O)c2cccn2Cc2ccccc2)CC(=O)N1 386973958 HCRKKBPFDFFLLY-ZDUSSCGKSA-N 297.358 1.497 0 50 CDAA Cc1nc(NC(=O)[C@H]2CCC(=O)N2C)nc2c1CCCC2 901753676 UZRBGMRYEHVBRC-GFCCVEGCSA-N 288.351 1.223 0 50 CDAA NC(=O)c1nc2cc(OC[C@H]3CCCOC3)ccc2o1 902576268 JWRCNBMUYKUWNB-VIFPVBQESA-N 276.292 1.732 0 50 CDAA Cc1nc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)n[nH]1 1704312346 PXRRNLUZCYCSNZ-ZDUSSCGKSA-N 280.372 1.009 0 50 CDAA Cc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)nn1 832415199 MUDGODBVZQYSCM-LBPRGKRZSA-N 291.351 1.243 0 50 CDAA C=CC(=O)N1CCC(Cc2nc(C(=O)O)cs2)CC1 1857786881 JSZDAAUXYWNJTN-UHFFFAOYSA-N 280.349 1.808 0 50 CDAA COc1cccc(OC)c1C(=O)NC[C@@H]1CCCO1 210496 XSTHYGSDIJACQM-JTQLQIEISA-N 265.309 1.613 0 50 CDAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(F)c(F)c1 131807905 LYGSOHLOULRBSG-IUCAKERBSA-N 290.335 1.465 0 50 CDAA CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 247960267 CZSNGVQLHXTHBD-DCAQKATOSA-N 288.413 1.074 0 50 CDAA biogenic CN(CC(=O)NC[C@H]1CCCO1)Cc1ccoc1 52442817 ISEFCMOUVMVNMY-GFCCVEGCSA-N 252.314 1.007 0 50 CDAA CC(=O)c1ccc(NC(=O)CSC(N)=O)cc1 67214 AEDGZRSPXUHWAW-UHFFFAOYSA-N 252.295 1.640 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](O)C(C)C)c(F)c1 2325776770 XEWPTYVNIQDUON-GWCFXTLKSA-N 289.372 1.818 0 50 CDAA CC1=C(C(N)=O)[C@H](c2c(F)cccc2Cl)NC(=O)N1 118331 KYYZXQOHAIIZDT-SNVBAGLBSA-N 283.690 1.592 0 50 CDAA CCCn1nnnc1NCc1ccc2c(c1)OCO2 140186 CVCXEYKWCLPSSZ-UHFFFAOYSA-N 261.285 1.424 0 50 CDAA CCOC(=O)c1ccc(CSc2nnc(C)n2N)o1 179294 PTZCQNYRANMGRK-UHFFFAOYSA-N 282.325 1.362 0 50 CDAA CCNC(=S)N1CCN(c2ccccc2OC)CC1 371476 UPGNLKOKZCKKOE-UHFFFAOYSA-N 279.409 1.712 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)Nc2ccccn2)c1 874394 CSOJEOIOHIORGC-UHFFFAOYSA-N 278.289 1.581 0 50 CDAA Cc1ccc(NC(=O)C[C@@H]2SC(=O)NC2=O)cc1 971783 UVVOTKPJEDRMFS-VIFPVBQESA-N 264.306 1.675 0 50 CDAA O=C(CN1C(=O)CSC1=O)Nc1ccc(Cl)cc1 1151951 VUZZMEKGLGDRAC-UHFFFAOYSA-N 284.724 1.974 0 50 CDAA CCc1nc(C)c(CN2CCC[C@]23CCCN(C)C3=O)[nH]1 2356140139 VWEDMBVVGUAHTK-INIZCTEOSA-N 290.411 1.867 0 50 CDAA O=C(CCCn1cccn1)N[C@H]1CC[C@@H](C(=O)O)CC1 2356150871 CZHLHZOEVAZSLT-TXEJJXNPSA-N 279.340 1.423 0 50 CDAA CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)O 2570035 ITDDYXBURGWVLE-QXEWZRGKSA-N 275.345 1.761 0 50 CDAA O=C(NCCO)C(=O)Nc1cc(Cl)cc(Cl)c1 2836979 HCTXYWNWQAPMDX-UHFFFAOYSA-N 277.107 1.040 0 50 CDAA CCCCNC(=O)C(=O)Nc1ccccc1OC 2898750 YPDDIRAGABCAFA-UHFFFAOYSA-N 250.298 1.550 0 50 CDAA Cc1nn2cccnc2c1-c1ccc(C(N)=O)cc1 2356167671 XLKNJFNSXGDBMU-UHFFFAOYSA-N 252.277 1.804 0 50 CDAA CN1CCN(NC(=O)c2cccc(C(F)(F)F)c2)CC1 4749929 HUYIFMZIXYKUER-UHFFFAOYSA-N 287.285 1.598 0 50 CDAA CCNC(=O)c1cc(C)c(C)c(S(=O)(=O)NCC)c1 4843009 CJHMHLSAXNIEQJ-UHFFFAOYSA-N 284.381 1.351 0 50 CDAA O=C(c1c[nH]nc1C1CCCCC1)N1CCOCC1 57823541 WRWAIYIPOGFUQX-UHFFFAOYSA-N 263.341 1.930 0 50 CDAA O=c1c2cnc3ncnn3c2ccn1Nc1ccc(F)cc1 9290496 CTULGSFGRJMZQV-UHFFFAOYSA-N 296.265 1.454 0 50 CDAA Cc1nc(N2CCN(C)CC2)[nH]c(=O)c1Cc1ccccc1 9348325 QOJNMYLYKDVUFY-UHFFFAOYSA-N 298.390 1.421 0 50 CDAA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)CCC(C)(C)C 227927688 PZDPVDRMBFTSBQ-QWRGUYRKSA-N 262.419 1.564 0 50 CDAA CNCCCNC(=O)CC(=O)Nc1ccccc1C 55357983 SVUJEXBXVWQHSM-UHFFFAOYSA-N 263.341 1.049 0 50 CDAA CCN(C/C=C/c1ccccc1)C(=O)C[C@@H]1CNCCO1 55060775 WQMDMGWCRFPOME-YXMGTMDOSA-N 288.391 1.927 0 50 CDAA CC(C)(C)OC(=O)N1CCC(O)(C[C@H]2CO2)CC1 59979370 UKPQAGHIODTKFO-JTQLQIEISA-N 257.330 1.537 0 50 CDAA Cc1c(NS(C)(=O)=O)cccc1C(=O)NC(C)(C)C 10314999 GJLZWRDZEBBZMA-UHFFFAOYSA-N 284.381 1.895 0 50 CDAA O=C(c1ccccc1N1CCOCC1)N1CCSCC1 64337060 WLDNEUVGIZUKSU-UHFFFAOYSA-N 292.404 1.712 0 50 CDAA CC(C)C[C@@H](N)C(=O)N1CCC(CCn2cccn2)CC1 71662005 KJZJJGPASMSXJR-OAHLLOKOSA-N 292.427 1.885 0 50 CDAA O=C(NCc1ccc(-n2cncn2)cc1)c1cnco1 219460248 ITSZVDJCLVILBF-UHFFFAOYSA-N 269.264 1.185 0 50 CDAA CC(C)(C)c1cc(CN2CCc3[nH]ncc3C2)[nH]n1 216407260 YIFNHBFFLUXPDG-UHFFFAOYSA-N 259.357 1.989 0 50 CDAA C[C@H](O)CCNC(=O)c1cnc(O)c2ccccc12 253536911 OKJHBLUOYNOOPC-VIFPVBQESA-N 260.293 1.441 0 50 CDAA C[C@@H]1CCCN(C(=O)Cc2cccnc2)[C@@H]1C(=O)O 235315468 WHRJKROFHKWQFE-MFKMUULPSA-N 262.309 1.336 0 50 CDAA CCOC[C@H](C)N[C@H]1CCO[C@H](c2cncn2C)C1 328620839 ADNDTYIVBWNGTJ-OBJOEFQTSA-N 267.373 1.655 0 50 CDAA CCCN1CCCN(C(=O)[C@@H]2CC2(C)C)CC1=O 365292031 QHPUCFSOLLIRAP-NSHDSACASA-N 252.358 1.503 0 50 CDAA O=C(CN1CCCC1)NCc1ccccc1-n1ccnc1 219280552 HEJAFLOQDKZWQT-UHFFFAOYSA-N 284.363 1.584 0 50 CDAA CC[C@@H](NC(=O)c1c(C)coc1C)C(=O)N1CCOCC1 285362250 SPXZIEDJZJLWGQ-GFCCVEGCSA-N 294.351 1.264 0 50 CDAA O=C(Cc1ccc2c(c1)N=C(O)C2)N1CC(=O)N(C2CC2)C1 329864680 STGVTXMTJQUKPS-UHFFFAOYSA-N 299.330 1.164 0 50 CDAA C[C@@H](CO)N(Cc1nsc(N(C)C)n1)C1CCCC1 329931814 IKNUVJKXLXHFGU-JTQLQIEISA-N 284.429 1.730 0 50 CDAA Cc1cccc(C(=O)Nc2nnc(C)n2C2CC2)n1 285448335 PVIDVWUUVMZDKN-UHFFFAOYSA-N 257.297 1.877 0 50 CDAA COCCN(C[C@@H]1CC=CCC1)C(=O)[C@H]1CCC(O)=N1 330085891 RNVVYHFMSANCIW-CHWSQXEVSA-N 280.368 1.937 0 50 CDAA C=CC(=O)NCCC(=O)N1CCC[C@@H]1c1cn(C)nc1C 372076234 GUNUIVPLRXDHPN-CYBMUJFWSA-N 290.367 1.084 0 50 CDAA C[C@@H]1CC[C@@H](CCC(=O)N2[C@H]3CCNC[C@H]2CC3)O1 262162965 BJLBXEZDWVWFCI-SYQHCUMBSA-N 266.385 1.687 0 50 CDAA Cc1cnn(C)c1CN1CCC(N2CCCC2)CC1 215297560 DWQICIGRZCEVLC-UHFFFAOYSA-N 262.401 1.789 0 50 CDAA CCOc1c(F)cccc1C(=O)N1CCNCC1 237021303 ZIKGXUOQSXFRAB-UHFFFAOYSA-N 252.289 1.270 0 50 CDAA O=S(=O)(CCC1CCOCC1)NC1C[C@H]2C[C@@H]2C1 333424223 JSEOGFVBVUEXPH-VXGBXAGGSA-N 273.398 1.521 0 50 CDAA CCC[C@H](N)C(=O)N1CCOC[C@@H]1c1ccccc1 376789930 PIGFLTSUJGSXSV-UONOGXRCSA-N 262.353 1.714 0 50 CDAA COCCCNC(=O)c1cn2c3c(cccc3c1=O)CC2 33088720 LNDVPGJBDBWVDC-UHFFFAOYSA-N 286.331 1.324 0 50 CDAA Cn1nnnc1CN1CC[C@H](c2cn(C)c3ccccc23)C1 377933207 UALQYOQWWITHIN-LBPRGKRZSA-N 296.378 1.691 0 50 CDAA CN1CC2(CCN(C(=O)c3cccs3)CC2)OCC1=O 216434632 OBBBLUSIQJFHSO-UHFFFAOYSA-N 294.376 1.212 0 50 CDAA Cn1cc(C(=O)NCCNC2CCCCCC2)ccc1=O 237758414 BDLCGVJVPNIBOO-UHFFFAOYSA-N 291.395 1.428 0 50 CDAA COC[C@]1(C(=O)O)CCCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C1 262943546 QAHZQNPMWIXWQD-QCQGSNGOSA-N 293.363 1.538 0 50 CDAA Nc1ncccc1CN1CC[C@](O)(CN2CCCCC2)C1 77379387 XVXIUACZBBREIS-INIZCTEOSA-N 290.411 1.087 0 50 CDAA C[C@H](Oc1ccc(O[C@H](C)C(=O)O)cc1)C(=O)O 71777864 SSGKBOVUWGMTBK-OCAPTIKFSA-N 254.238 1.390 0 50 CDAA Cc1nc(N)ncc1C(=O)N1CC[C@H](N2CCCCC2)C1 216186531 JVVYUWGFVDTDRE-LBPRGKRZSA-N 289.383 1.068 0 50 CDAA O=C(NC[C@@H]1CCOC1)[C@H](CO)c1ccc(F)cc1 240555665 GXBBWLOARYOZGY-GXFFZTMASA-N 267.300 1.054 0 50 CDAA O=C(CCc1ccccc1)NCC(=O)Nc1cccnc1 337597493 GZNMYZRZSVJJAE-UHFFFAOYSA-N 283.331 1.769 0 50 CDAA Cc1ccc(-n2nccc2NC(=O)[C@@H]2CCCCO2)nn1 133972468 QZWXUIRTNSFDSN-NSHDSACASA-N 287.323 1.478 0 50 CDAA Cc1nc2c(c(N(C)C[C@H](C)C(=O)O)n1)CCCC2 263539947 BZTOQCRHXLQZQV-VIFPVBQESA-N 263.341 1.821 0 50 CDAA Cc1ccc(CN(C)C(=O)[C@H]2CCc3nnn(C)c3C2)o1 290124416 YZVBJTWZYRYBLN-NSHDSACASA-N 288.351 1.480 0 50 CDAA CCC[C@H](NC(=O)c1cc(=O)cc(C)o1)c1nccn1C 223829501 ORNWQEVVTSWIFO-LBPRGKRZSA-N 289.335 1.953 0 50 CDAA O=C(NCCc1cscn1)c1ccn(C(F)F)n1 220160663 FMUKMRLSNMYJRG-UHFFFAOYSA-N 272.280 1.707 0 50 CDAA CCCCCN1CCC(Cn2cc(CNC)nn2)CC1 48284570 OKADBNYYLZUJMC-UHFFFAOYSA-N 279.432 1.900 0 50 CDAA OC[C@@H](NCCO[C@H]1CCCCO1)c1ccsc1 225532260 PMJUCVRJFXGTKZ-OLZOCXBDSA-N 271.382 1.914 0 50 CDAA Cn1c(CN)nnc1SC[C@@H]1CCCN2CCCC[C@H]12 426550707 YLYDSNAKVQAPIX-NWDGAFQWSA-N 295.456 1.630 0 50 CDAA O=C1C[C@H](Nc2ncnc3c2ncn3C2CC2)CN1C1CC1 292886951 ZOKQEILASAZMRH-VIFPVBQESA-N 298.350 1.336 0 50 CDAA CNC(=O)NCCC(=O)N[C@H]1CCCOc2ccccc21 293527492 WRQWCLLEJDPVLB-LBPRGKRZSA-N 291.351 1.336 0 50 CDAA O=C1[C@@H]2CC[C@@H](C2)N1CCS(=O)(=O)c1ccccc1 95522223 MKDCNXUPZXGFAC-NEPJUHHUSA-N 279.361 1.471 0 50 CDAA C[C@H]1CN(C(=O)Nc2ccc(F)cn2)C[C@@H](C)N1C 294299084 UEYSJOVCDBGIFX-AOOOYVTPSA-N 266.320 1.777 0 50 CDAA CCCCNC(=O)CN(C)c1ncnc(C)c1C 91594035 DYFHLYRXDQJIOM-UHFFFAOYSA-N 250.346 1.446 0 50 CDAA O=C(NC1CCCC1)[C@H]1CC[C@H](Cn2cnnn2)CC1 238950183 WVLDAICJGRCWRO-HAQNSBGRSA-N 277.372 1.538 0 50 CDAA CCC[C@@H]1CN(Cc2cc(=O)[nH]c(C)n2)C[C@H]1C(=O)O 91663004 XXMIDBFFDMTHJT-ZYHUDNBSSA-N 279.340 1.011 0 50 CDAA CNC(=O)Cn1cc(-c2cnn(Cc3ccccc3)c2)cn1 96136397 AJJHXLPVLWKQFK-UHFFFAOYSA-N 295.346 1.541 0 50 CDAA CCOCCNCc1cc(=O)c2cc(C)ccc2[nH]1 91643293 BMEBFOBJIWJEHK-UHFFFAOYSA-N 260.337 1.963 0 50 CDAA Cc1ccc2[nH]c(=O)cc(C(=O)NCCc3c[nH]cn3)c2c1 97694662 ZRRPWPUZSQFEBH-UHFFFAOYSA-N 296.330 1.532 0 50 CDAA CCCc1noc(CN(C)Cc2ccn(CC)n2)n1 244893047 YUJRCVVSDNOCAQ-UHFFFAOYSA-N 263.345 1.871 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1cccnc1O 240128283 IPIQXEMMCLYQDA-VIFPVBQESA-N 275.312 1.280 0 50 CDAA Cc1ncn(CC(=O)N2CC[C@](O)(c3ccccc3)C2)c1C 244718694 LPGPZBJPJJHHQR-QGZVFWFLSA-N 299.374 1.620 0 50 CDAA Cc1nccn1CC(=O)N[C@H]1COc2ccc(F)cc2C1 297471140 UTCXXPGOABCFCS-CYBMUJFWSA-N 289.310 1.451 0 50 CDAA Cc1ccc2nc(CN3CC[C@@H](N)C3)cc(O)c2c1 253537073 WLZZFAOODZBALR-LLVKDONJSA-N 257.337 1.782 0 50 CDAA Cc1cccc2[nH]cc(CCNC(=O)[C@H]3C[C@H]3C(=O)O)c12 299747424 CYMAQEGQMFOROU-NWDGAFQWSA-N 286.331 1.856 0 50 CDAA CCN1CC[C@H](N(C)C(=O)[C@H](C)CNC)[C@H](C)C1 299738736 FSKGAAAPBIAASQ-UPJWGTAASA-N 255.406 1.031 0 50 CDAA C[C@@H]1C[C@H]1C(=O)N[C@](C)(COc1ccccc1)C(=O)O 299752872 VVMNCPGHGSTGHP-IXPVHAAZSA-N 277.320 1.681 0 50 CDAA NC1CC(c2cc(NC[C@H]3CC[C@H](CO)CC3)ncn2)C1 252519067 AWBFFWTWNUALDF-HXZBBRIXSA-N 290.411 1.892 0 50 CDAA CN(C)CC[C@@H](NC(=O)c1cn[nH]c1)c1ccccc1 534581924 JYWGTJMDENBXIO-CQSZACIVSA-N 272.352 1.833 0 50 CDAA CC(C)C[C@H](NC(=O)c1csc(=N)[nH]1)c1ncnn1C 534651086 PGWNHSXFUGNHNX-QMMMGPOBSA-N 294.384 1.201 0 50 CDAA COC(=O)[C@H]1NN(C(=O)OC(C)(C)C)c2cnccc21 261507350 HRDHXHPOGCVEHC-JTQLQIEISA-N 279.296 1.555 0 50 CDAA Cc1ocnc1C(=O)N1CCC[C@H](c2ccncn2)C1 367343284 MPMSEOHUCYBMPU-NSHDSACASA-N 272.308 1.793 0 50 CDAA CC(C)c1nc(NC(=O)[C@@H]2COc3ccccc3O2)no1 1940197686 IYPXOTYNSZYFGN-NSHDSACASA-N 289.291 1.972 0 50 CDAA O=C(O)C[C@@H]1CN(c2nc3ccccc3s2)C[C@H]1O 1857737983 MFKMOLHJZRVOBK-PSASIEDQSA-N 278.333 1.568 0 50 CDAA COc1coc(CN2CCCC[C@@H]2C(=O)O)cc1=O 820881761 UGZUSPJPTPKXML-SNVBAGLBSA-N 267.281 1.088 0 50 CDAA CC(C)(O)Cn1ncnc1-c1ccc(CCN)cc1 827421152 RLVDZBIEGPXDHA-UHFFFAOYSA-N 260.341 1.217 0 50 CDAA Cc1cc(F)ccc1OC(=O)c1ccc(C(N)=O)cn1 165271941 JEFACWNRPMBEMB-UHFFFAOYSA-N 274.251 1.847 0 50 CDAA COCCNS(=O)(=O)c1ccc(OC)c(Cl)c1 2864280 CHJQZVBKSQOVDU-UHFFFAOYSA-N 279.745 1.273 0 50 CDAA CC(C)(C)n1ncnc1-c1ccc(-n2cnnc2)nc1 670447958 KLOMHDCLGFTBKE-UHFFFAOYSA-N 269.312 1.676 0 50 CDAA CC(C)(C)OC(=O)N1CC([C@@H]2CCCNC2=O)C1 950756216 ZTOBDWYFRFQILD-JTQLQIEISA-N 254.330 1.380 0 50 CDAA CO[C@@H](CN)C(=O)N1CCc2ccc(Cl)c(C)c2C1 1548449088 RPNFFBLHSBASJA-ZDUSSCGKSA-N 282.771 1.507 0 50 CDAA Cc1cncnc1N1CCC(Cc2nncn2C)CC1 1548522666 BPAAANSOURQDIV-UHFFFAOYSA-N 272.356 1.373 0 50 CDAA CC(C)(C)[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C(F)(F)F 874962565 IYERJBDVCZLTCI-WKEGUHRASA-N 294.273 1.132 0 50 CDAA CC[C@]1(C)CCCN(CC(=O)NC2CCN(C)CC2)C1 878147237 AUXQACSRGCSPED-MRXNPFEDSA-N 281.444 1.709 0 50 CDAA N[C@@H]1C[C@H](C(=O)O)CN(C/C=C/c2ccccc2)C1 1875302658 AWSWTMSAOCUSHN-QFVHEQCKSA-N 260.337 1.434 0 50 CDAA Cc1ccc(NC(=O)N2CCN[C@@H](c3cn[nH]c3)C2)cc1 1875321163 WQJGCVUXESWZOT-CQSZACIVSA-N 285.351 1.897 0 50 CDAA CN=c1ccc(NC(=O)c2cnc3c[nH]nc3c2)c[nH]1 1875344926 QKXZCHBEAUZBFV-UHFFFAOYSA-N 268.280 1.069 0 50 CDAA CCOCCC(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 952982711 YJSYGMIOXLMQQD-VIFPVBQESA-N 277.324 1.981 0 50 CDAA Cn1cccc1C(=O)N1CCC[C@@H]1c1ccc(N)nn1 888078606 AMAJKWBVENUZLN-LLVKDONJSA-N 271.324 1.375 0 50 CDAA CC(=O)N1CCO[C@H]2CCN(c3ncccc3F)C[C@@H]21 886051526 PYTHFNGHSQMSQY-STQMWFEESA-N 279.315 1.047 0 50 CDAA CC[C@@H]1CN2CCC[C@H]2CN1CCCN1CCOCC1 245442410 WGQBRMVSMXMOIC-CVEARBPZSA-N 281.444 1.267 0 50 CDAA O=C(N[C@]12CCC[C@@H]1NCC2)c1cc2cnccc2[nH]1 1775600663 RVWRTQQGPWAWBZ-ZFWWWQNUSA-N 270.336 1.577 0 50 CDAA Cc1ccc(C[C@@H](C)N(C)c2cc(=O)n(C)c(O)n2)cc1 1412867845 CUUYMQAQPASJST-GFCCVEGCSA-N 287.363 1.862 0 50 CDAA CCOc1cc(C(=O)N(CCN(C)C)C2CCCC2)[nH]n1 1417636841 WZIHIBYNZBSAJY-UHFFFAOYSA-N 294.399 1.755 0 50 CDAA COc1ccc(C[C@H](C)NN2CCN(C)CC2)cc1 19171939 MHQXKYGOHCUFRX-ZDUSSCGKSA-N 263.385 1.378 0 50 CDAA CS(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 19536338 FOVOVNHELYBDGP-VMPITWQZSA-N 280.393 1.277 0 50 CDAA COc1cc(I)c(OC)nc1OC 77011229 CSQOXTJFAZCQAV-UHFFFAOYSA-N 295.076 1.712 0 50 CDAA in-vitro CCNC(=O)[C@@H](CN1CCCCC1)NC(=O)OC(C)(C)C 390832786 PSZKDASRLPDTSK-GFCCVEGCSA-N 299.415 1.502 0 50 CDAA O=C(NCCCc1cccnc1)[C@@H]1CCC[C@H](O)C1 1074650002 ICQRPQFWGFUXNJ-KGLIPLIRSA-N 262.353 1.682 0 50 CDAA Cn1nnc2c(C(=O)NCC3(C(F)F)CC3)ccnc21 548880711 DIOVBLDRLDHAFP-UHFFFAOYSA-N 281.266 1.138 0 50 CDAA CO[C@H]1CN(C(=O)NCCc2ccsc2)C[C@H]1OC 277267472 RHXBSAGGHXEZBE-TXEJJXNPSA-N 284.381 1.346 0 50 CDAA CCO[C@@H]1C[C@H](N(C)S(N)(=O)=O)C12CCCCC2 169998681 UPHYDASEEPLCAW-WDEREUQCSA-N 276.402 1.250 0 50 CDAA c1cn2c(-c3noc([C@H]4CCOC4)n3)cnc2cn1 278025979 RUTSAENYABZRID-QMMMGPOBSA-N 257.253 1.283 0 50 CDAA Cc1nnc([C@H](C)N2CCN(C3CC3)CC2)s1 170616834 OHMHZTJUNQMXEM-VIFPVBQESA-N 252.387 1.688 0 50 CDAA O=C(NCCc1ccc(-n2cccn2)cc1)c1cc[nH]n1 170623797 MOBPNOKTOLIONE-UHFFFAOYSA-N 281.319 1.568 0 50 CDAA Cn1nccc1NS(=O)(=O)c1ccc2c(c1)CCO2 171153045 BQPOKHFMLCWKGC-UHFFFAOYSA-N 279.321 1.156 0 50 CDAA CS(=O)(=O)C1(C(=O)N2CCSc3ncccc32)CC1 280353398 IKNUGJCKHPPFBL-UHFFFAOYSA-N 298.389 1.098 0 50 CDAA O=C(N[C@H]1CCCc2occc21)N1CCn2cnnc2C1 111824106 CHTHIKZQANIDEI-NSHDSACASA-N 287.323 1.474 0 50 CDAA NCc1ccc(CNC(=O)N2CCC[C@@H](CO)CC2)cc1 646228326 LEETWWHNNWLETE-OAHLLOKOSA-N 291.395 1.449 0 50 CDAA CC[C@@H](NCCc1c(C)nn(C)c1C)C(=O)OC 192832541 MVEWGBVEPSYGFC-GFCCVEGCSA-N 253.346 1.121 0 50 CDAA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCc1ccsc1 193752562 LHDMCVAQVJOJLR-MWLCHTKSSA-N 281.381 1.114 0 50 CDAA COc1cccc([C@H]2C[C@H](O)CN2Cc2nncn2C)c1 563796862 SXKUASLPMHUDGR-GXTWGEPZSA-N 288.351 1.132 0 50 CDAA CC1(C)C[C@@H](NC(=O)NCc2cn3c(n2)CCCC3)CO1 660553549 ZMVNDSSZOZIRNA-LLVKDONJSA-N 292.383 1.586 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)NCCc1ccc(C(=O)O)cc1 668267355 LNXLZADMXFVJLM-RISCZKNCSA-N 291.347 1.859 0 50 CDAA Cc1cccc(N2CC[C@](O)(c3cn(C(C)C)nn3)C2)n1 583615037 TVEZZURPSQEDLK-OAHLLOKOSA-N 287.367 1.660 0 50 CDAA CN1CCC[C@H]1CCC(=O)NC1(CO)CCSCC1 585121863 CUKUWYXVIISLRS-LBPRGKRZSA-N 286.441 1.235 0 50 CDAA COC(=O)CCCC(=O)Nc1nccc2cccnc12 1875244447 KSNOLHIPTAWXRE-UHFFFAOYSA-N 273.292 1.912 0 50 CDAA O=S(=O)(c1ccccc1)n1cc(Br)cn1 6730193 SAQVJLOSQUFTDU-UHFFFAOYSA-N 287.138 1.883 0 50 CDAA in-vitro Cc1cccc(CNC(=O)C2(CO)CCOCC2)c1 457416040 JWVAODTYJXPNIF-UHFFFAOYSA-N 263.337 1.400 0 50 CDAA Cc1cc(O)cc(=O)n1CCc1noc(C2CC2)n1 1547201089 VSODINBMTSQYQA-UHFFFAOYSA-N 261.281 1.365 0 50 CDAA Cc1c(C)[n+]([O-])c([C@H]2CC=CCC2)n1CC(=O)O 1547201074 USOSBNSIIONCIZ-NSHDSACASA-N 250.298 1.647 0 50 CDAA O=C(O)/C=C/C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 4071355 GKEVMNYXOTYLMG-ODAVYXMRSA-N 265.231 1.865 0 50 CDAA COc1cnc(C)cc1C(=O)NCCCn1ccnc1 1857677664 LNXHOTCSTZWYOV-UHFFFAOYSA-N 274.324 1.415 0 50 CDAA Cc1ncn(CCNC(=O)[C@@]2(C)CCCCO2)c1C 1857683153 DLROJXMJZVMZLT-CQSZACIVSA-N 265.357 1.575 0 50 CDAA O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(F)c(O)c1 1615586151 JHGWKQJQXVAVCR-ZYHUDNBSSA-N 267.300 1.812 0 50 CDAA CCn1ncc(C(=O)NCC2(c3ccncc3)CC2)n1 1615565983 USOKNSFHCVMEPY-UHFFFAOYSA-N 271.324 1.155 0 50 CDAA CC(C)CNC(=O)[C@H]1CCCN(C2CCN(C)CC2)C1 12473969 VXJPQVZMRDVLRS-AWEZNQCLSA-N 281.444 1.565 0 50 CDAA CCOC(=O)c1s/c(=N/C(=O)c2ccncc2)[nH]c1C 16995579 ODETUOQNLWOPHL-UHFFFAOYSA-N 291.332 1.697 0 50 CDAA Brc1cccc(CNCCN2CCOCC2)c1 19872138 ZSZMJPXLLDZZQS-UHFFFAOYSA-N 299.212 1.871 0 50 CDAA COc1ccc(Cn2c(Cl)cc(=O)n(C)c2=O)cc1 167397288 NINZAMOQCXMUNF-UHFFFAOYSA-N 280.711 1.257 0 50 CDAA c1ccc(Cn2ncnc2[C@H]2CCn3ncnc3C2)cc1 1857730828 YWSBQGMUQMUDFC-ZDUSSCGKSA-N 280.335 1.648 0 50 CDAA COC[C@H]1CN(C(=O)c2ccn3c(C)cnc3c2)CCO1 569235143 GURKLCUWPHYOSL-CYBMUJFWSA-N 289.335 1.130 0 50 CDAA Cc1nc(C)n(C[C@@H](O)COc2ccc3c(c2)CCC3)n1 614526 FCXSCCSBMBLTCF-OAHLLOKOSA-N 287.363 1.824 0 50 CDAA C[C@H](C(=O)N1CCC(C(=N)O)CC1)N(C)Cc1ccoc1 330937573 APAFSALGQFRBOF-LLVKDONJSA-N 293.367 1.874 0 50 CDAA Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@@H](C)C(=O)O)C2 237472524 AUEFXQFGMRTUBT-ZWNOBZJWSA-N 277.320 1.444 0 50 CDAA Cn1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)ccc1=O 237756642 IIVQBFVIGYGDQJ-LBPRGKRZSA-N 292.335 1.245 0 50 CDAA O=C(Cn1ncc2ccccc21)N1CCC[C@](F)(CO)C1 335902509 AGDIFNGWBHQSCP-OAHLLOKOSA-N 291.326 1.359 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@H](C(=O)O)C2)cn1 133071262 WZCWJSKEDISOQG-LBPRGKRZSA-N 262.309 1.256 0 50 CDAA CN(CCC(=O)O)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 671543105 UYSAJMILDXSDFW-HOCLYGCPSA-N 292.379 1.465 0 50 CDAA Cc1nn(C)c(C)c1C(=O)NC1(CO)Cc2ccccc2C1 252481727 CRAKJLXWCNFJKA-UHFFFAOYSA-N 299.374 1.297 0 50 CDAA CCCCCOCC(=O)NCc1cn(C2CCC2)nn1 585127199 SPVMOBINSOJZJO-UHFFFAOYSA-N 280.372 1.826 0 50 CDAA Cc1cc([C@H](NC(=O)C2CCOCC2)C(=O)O)ccc1F 262976635 JEEKDJIRXKPILD-ZDUSSCGKSA-N 295.310 1.803 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)[C@@H]1SCCc2ccccc21 263322759 RTAARYZMNUDYPT-JOYOIKCWSA-N 279.361 1.949 0 50 CDAA C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@@](C)(O)C(=O)O 263451092 SJAPNVWLTHWUFM-LKFCYVNXSA-N 299.754 1.470 0 50 CDAA O=C(O)COCc1ocnc1C(=O)N1CCCCCCC1 901782973 JSIMLZZQOTWCLX-UHFFFAOYSA-N 296.323 1.682 0 50 CDAA Cc1nc(C(=O)NC2CC(=O)C2)nn1-c1ccc(F)cc1 818026642 FURUMPXMZQGBFP-UHFFFAOYSA-N 288.282 1.176 0 50 CDAA C[C@@H](O)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 824690563 UDWZGLLWPNXIBW-KOLCDFICSA-N 291.330 1.209 0 50 CDAA O=C(c1ccc(-n2cccn2)nc1)N1CCc2nc[nH]c2C1 929080629 LTBMAGKMAGGCPT-UHFFFAOYSA-N 294.318 1.189 0 50 CDAA c1coc(-c2noc(CN3CCn4ccnc43)n2)c1 931528174 VWGJKHSCIDPPQX-UHFFFAOYSA-N 257.253 1.546 0 50 CDAA Cc1ccccc1[C@H](C)C(=O)N1CC(=O)NCC1(C)C 935838889 DIQNBWGTOGPEBU-LBPRGKRZSA-N 274.364 1.836 0 50 CDAA CNC[C@@H]1CCCN1C(=O)COc1ccc(C)cc1C 237088065 XYHZRLYWYPMONQ-AWEZNQCLSA-N 276.380 1.893 0 50 CDAA CNC[C@H]1CCCN1C(=O)COc1ccc(C)cc1C 237227875 XYHZRLYWYPMONQ-CQSZACIVSA-N 276.380 1.893 0 50 CDAA C[C@H](Oc1ccccc1Cl)C(=O)N1CC[C@@H](N)C1 237688658 NXOFDJDJHXNYNQ-VHSXEESVSA-N 268.744 1.667 0 50 CDAA C[C@H]1C[C@H](C(=O)O)CN(S(=O)(=O)c2ccsc2)C1 263107580 DEXTUGOKQUQJDQ-IUCAKERBSA-N 289.378 1.479 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)O)c(F)c1 72145653 PJMDUSYHXGWPLH-SNVBAGLBSA-N 281.283 1.450 0 50 CDAA Cc1cccn2cc(CN3CCS(=O)CC3)nc12 609539624 SVAXTYQEOUQZIG-UHFFFAOYSA-N 263.366 1.207 0 50 CDAA Cc1nc(C2CCN([C@@H]3CCSC3)CC2)n[nH]1 670470550 ZMWNDMVVHRJUBQ-LLVKDONJSA-N 252.387 1.798 0 50 CDAA COc1ccc(Nc2ncc(C)c(N(C)C)n2)cn1 2100539363 FGZFWHDNKFBPOK-UHFFFAOYSA-N 259.313 1.998 0 50 CDAA C[C@@H]1[C@@H](C(=O)N2CCC[C@H](CCC(=O)O)C2)C1(F)F 1594229306 GNIHYXBXFBZOLZ-KKZNHRDASA-N 275.295 1.991 0 50 CDAA CC1([C@H](CO)NC(=O)Cn2ccc3c(N)cccc32)CC1 2325780291 WBLJDIUOWILLNQ-AWEZNQCLSA-N 287.363 1.501 0 50 CDAA CC1(C)[C@@H](NC(=O)c2cnn3ccsc23)C[C@H]1CN 2325800119 QKPGMIVCDWCDIC-WPRPVWTQSA-N 278.381 1.499 0 50 CDAA O=C(O)[C@H]1[C@H]2CN(C(=O)c3cnn(CC4CC4)c3)CC[C@H]21 910852776 WRVLWDFZQOREMP-FRRDWIJNSA-N 289.335 1.086 0 50 CDAA COc1ccc(NC(=O)[C@@H]2CSC(C)(C)N2C=O)cc1 47643 UCFXLVSDEWKUNL-LBPRGKRZSA-N 294.376 1.944 0 50 CDAA COC(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F 186894 HHTOQODNBLGVLO-UHFFFAOYSA-N 293.216 1.866 0 50 CDAA O=C(CS(=O)(=O)c1ccccc1)N1CCCCCC1 386131 WQVBNJTZWGRYDJ-UHFFFAOYSA-N 281.377 1.863 0 50 CDAA CN(C)CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2555032 KPXRFYHPDPDJSY-JTQLQIEISA-N 274.361 1.696 0 50 CDAA COc1ccc(-c2nc(=O)n(C)[nH]2)c2cccnc12 2356148210 LWFVQMOZXBSTEY-UHFFFAOYSA-N 256.265 1.332 0 50 CDAA COCCNC(=O)c1ccc(SC)cc1OC 2958374 GVMNKLHGFUAEOY-UHFFFAOYSA-N 255.339 1.793 0 50 CDAA Cn1nnnc1SCC(=O)NCc1ccc(Cl)cc1 3275481 GQWAEZBDZAVDBJ-UHFFFAOYSA-N 297.771 1.272 0 50 CDAA Cc1ccc(C(=O)NCCCNC(=O)c2cccnc2)cc1 4487329 IAULVNMGJYPPTA-UHFFFAOYSA-N 297.358 1.940 0 50 CDAA C[C@H]1CCC[C@H](C)N1C(=O)CN(C)[C@H](C)C(=O)O 227150821 NGXLRAKBGURHFI-GARJFASQSA-N 256.346 1.181 0 50 CDAA CCC1=NO[C@H](CNC(=O)CCC(=O)NC2CCCC2)C1 55200171 SITLZJFSGDZGIA-ZDUSSCGKSA-N 295.383 1.497 0 50 CDAA Cn1ncc2c(O)nc(=NC[C@@H]3C[C@H]3c3cccnc3)[nH]c21 521398526 MCMDLKIZJCUWHR-QWRGUYRKSA-N 296.334 1.101 0 50 CDAA CC(=O)Nc1nc2[nH]c(C)c(Cc3ccccc3)c(=O)n2n1 100644305 HYIDRMDEHIRZRD-UHFFFAOYSA-N 297.318 1.275 0 50 CDAA CC(=O)Nc1sc2c(c1-c1nnn[nH]1)CCCC2 67629761 SFUPJOMAHGIXGE-UHFFFAOYSA-N 263.326 1.765 0 50 CDAA Cc1nc(N2CCN(C)[C@H](CCO)C2)ccc1Cl 1506414089 NRFQQCUCEGJKMC-LLVKDONJSA-N 269.776 1.546 0 50 CDAA N=C(O)[C@H]1COCCN1C(=O)[C@H]1CCc2ccccc2O1 332526440 OYJUCXLNFVRGPS-DGCLKSJQSA-N 290.319 1.143 0 50 CDAA COc1cc(-n2nc(C(=O)O)cc2C)ccc1NC(C)=O 67713193 CNBQUMBKZZINTE-UHFFFAOYSA-N 289.291 1.846 0 50 CDAA CS(=O)(=O)N(Cc1cn2c(n1)CCCC2)CC1CCC1 328618486 DSLDMRVNJROVFU-UHFFFAOYSA-N 297.424 1.781 0 50 CDAA CC(=O)NC(C)(C)c1noc(Cc2cc(C)[nH]n2)n1 332717655 QITWPQUXAQAWSR-UHFFFAOYSA-N 263.301 1.063 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccco1 198485 IQIGXCCKCMDVJZ-SNVBAGLBSA-N 250.254 1.471 0 50 CDAA biogenic C[C@@H](C(=O)Nc1cncnc1)n1ccc2ccccc2c1=O 356151566 YLNYZPXNNPDSIS-NSHDSACASA-N 294.314 1.991 0 50 CDAA CN1Cc2ccc(CN(C)C(=O)c3cn[nH]c3)cc2C1 216103448 SNEKOYATIRBOSQ-UHFFFAOYSA-N 270.336 1.627 0 50 CDAA Cn1ccc2c(-c3nccc(N4CC[C@@H](O)C4)n3)ccnc21 72164093 GNPJFGIOVDCMRN-LLVKDONJSA-N 295.346 1.601 0 50 CDAA CC(C)n1ccc(CN2CCS(=O)(=O)C[C@H]2C2CC2)n1 333145816 ZUZZCCOZQIEUCF-AWEZNQCLSA-N 297.424 1.473 0 50 CDAA N[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCN2)C1 333133466 JWHYWBKTYMNYFG-QKGCVVFFSA-N 251.418 1.767 0 50 CDAA Cc1noc(C)c1CCn1ccnc1S(C)(=O)=O 128427192 IKHVZHVZBWLONY-UHFFFAOYSA-N 269.326 1.134 0 50 CDAA CCCc1cc(C(=O)NCCc2nnc(C)s2)n(C)n1 77422769 JAYIVECDDMALNY-UHFFFAOYSA-N 293.396 1.505 0 50 CDAA COC(=O)CCC(=O)NC1(c2cccc(F)c2)CC1 156484236 YHTKSFQUYZYDFP-UHFFFAOYSA-N 265.284 1.884 0 50 CDAA CC[C@@H](C(=O)O)N(c1cccc(Cl)c1)S(C)(=O)=O 39315693 GGIMOCLDSKQFOV-JTQLQIEISA-N 291.756 1.969 0 50 CDAA Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CC[C@H](N)C1 263097171 NRZSMYVWLJKDBD-HUBLWGQQSA-N 273.380 1.890 0 50 CDAA Nc1cc(O)nc2nc(-c3ccc(Cl)cc3)nn12 72415085 HHEGPLQDCOLCQZ-UHFFFAOYSA-N 261.672 1.733 0 50 CDAA Cc1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)c(=O)[nH]1 215322647 GODVKTOTHFQXJW-LBPRGKRZSA-N 298.346 1.493 0 50 CDAA CCOc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1 35188462 MOTPOGSKWAFYCT-JTQLQIEISA-N 273.354 1.135 0 50 CDAA Cn1cnnc1-c1ccc(NC(=O)[C@H]2CC[C@@H](N)C2)cc1 72421867 HQUAMRVPQNKLDB-NWDGAFQWSA-N 285.351 1.548 0 50 CDAA Cn1c(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)O)cccc1=O 262710115 CJIZHWGYTKWXKU-BMIGLBTASA-N 292.335 1.149 0 50 CDAA COCCN1CCC[C@@H]1CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 242284650 YIOJOBYLYDHOJH-FPCVCCKLSA-N 296.455 1.890 0 50 CDAA CCN1C[C@H](Cn2cnc3c(C)c(C)ccc3c2=O)CC1=O 32550934 USULYAKAPIQCHE-CYBMUJFWSA-N 299.374 1.882 0 50 CDAA Cc1cc(CC(=O)NCCN2CCCC2(C)C)n[nH]1 457049868 FQRIJOWAPQEILL-UHFFFAOYSA-N 264.373 1.251 0 50 CDAA Cc1cc(C(=O)N2C[C@H](O)CO2)c2ccc(C)c(C)c2n1 77321664 QMRGWNSKTVTCDB-LBPRGKRZSA-N 286.331 1.908 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)Cc1ccncc1 223467290 BTKPBUUPFCJIAV-JTQLQIEISA-N 259.313 1.113 0 50 CDAA COCc1cc(N2CC(O)C2)c2cc(F)ccc2n1 290653230 OYXNXYVHSRMGFR-UHFFFAOYSA-N 262.284 1.701 0 50 CDAA O=C(NCC1(C2CC2)CCC1)c1ccnc(-n2cncn2)c1 178666574 XPMXTEQFSQTCMN-UHFFFAOYSA-N 297.362 1.972 0 50 CDAA CCCN(CCOC)C(=O)[C@H](C)n1ccnc1C 426624705 BOSJTUAABNLKJG-NSHDSACASA-N 253.346 1.638 0 50 CDAA CCc1nc(CCNC(=O)[C@@H](O)CCSC)cs1 222960914 UJNTVLHCGLSPOE-JTQLQIEISA-N 288.438 1.478 0 50 CDAA Cc1cccc2cc(C(=O)NCc3nc(=N)[nH][nH]3)oc12 426387354 XGCJGOMTXDYEFK-UHFFFAOYSA-N 271.280 1.202 0 50 CDAA COC[C@@H]1CCCN1C(=O)NCc1ccc2nonc2c1 426716794 AIBJFMMEXCVXQP-NSHDSACASA-N 290.323 1.543 0 50 CDAA Cc1cnc(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)cn1 267477195 UKXNPUGKIVNQAM-DGCLKSJQSA-N 263.341 1.576 0 50 CDAA CCc1cnc(NCCN2CCC[C@H](CO)C2)nc1 95354987 LQACNSLGVALLHL-ZDUSSCGKSA-N 264.373 1.155 0 50 CDAA O=C(N1CCNCC1)C1(c2ccc(F)cc2F)CCC1 181321657 WJBCFBOSJLLNNA-UHFFFAOYSA-N 280.318 1.818 0 50 CDAA Cc1nc(Cn2c(=O)c(C)nc3ccccc32)no1 95376236 PHGJFSSFYZLKRW-UHFFFAOYSA-N 256.265 1.445 0 50 CDAA CCCN(CCO)C(=O)[C@H](c1ccc(C)cc1)N(C)C 95375465 SKAZYGMJZAITJW-HNNXBMFYSA-N 278.396 1.829 0 50 CDAA C/C(=C\C(=O)N1CCOC[C@@H]1C(=O)O)c1ccc(F)cc1 268989326 RGQPDEPALFAUGB-AORWBKJGSA-N 293.294 1.541 0 50 CDAA CNC(=O)C[C@@H](C)N(C)c1nc2c(s1)c(C)nn2C 96138109 SPGHBRNKAZIARP-SSDOTTSWSA-N 281.385 1.299 0 50 CDAA CCN1CCC(c2nnc(Cn3cncn3)n2CC)CC1 91943445 YRDIKZWADBKJKI-UHFFFAOYSA-N 289.387 1.137 0 50 CDAA Cc1[nH]cnc1CN1CCC(N2CCSCC2)CC1 244874406 XAUXQGFQCAKTLP-UHFFFAOYSA-N 280.441 1.731 0 50 CDAA COC(=O)[C@H]1[C@@H]2C3C4[C@@H]5CC[C@@H]4[C@H]([C@H]52)[C@H]3[C@@H]1C(=O)OC 247844312 PDIHXXLOKWQAAY-ZXIATTIMSA-N 276.332 1.343 0 50 CDAA C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)CCC(=O)O 299747586 DHAGRJNPIQJUIA-NOZJJQNGSA-N 263.293 1.484 0 50 CDAA Cn1ccc2c(OCC(=O)N3CCOCC3)cccc21 252510683 ZOBCGIGIFFWBCL-UHFFFAOYSA-N 274.320 1.416 0 50 CDAA COC(CNC(=O)c1cc(-c2ccco2)n[nH]1)OC 263618271 SAJNOANFMKUVSE-UHFFFAOYSA-N 265.269 1.018 0 50 CDAA Cc1csc([C@H](C)CNS(=O)(=O)N2CCCC2)n1 273400860 GQWWSOPETRSSHW-SECBINFHSA-N 289.426 1.485 0 50 CDAA CN1CCC[C@H](Nc2ccc(C(=O)N3CCCC3)cn2)C1 823771494 WAGCXABTVIAPSG-AWEZNQCLSA-N 288.395 1.824 0 50 CDAA CN1CCN(CC2(CN=c3cc[nH]cc3F)CC2)CC1 584895229 PQNUDNHHNKTZHP-UHFFFAOYSA-N 278.375 1.082 0 50 CDAA CC[C@H](C)[C@@H](NC(=O)NC(C)(C)CC(N)=O)C(F)(F)F 585135895 HOUJOOLJRKQDDU-IONNQARKSA-N 297.321 1.917 0 50 CDAA CN(C)c1nc2c(c(N3CCc4nocc4C3)n1)CCCC2 670471418 LQBPNFUCYYXGKS-UHFFFAOYSA-N 299.378 1.972 0 50 CDAA Nc1nc(CNC(=O)c2ccc3c(c2)CCCO3)cs1 670469521 MYMXHPIUJMUGRF-UHFFFAOYSA-N 289.360 1.980 0 50 CDAA Cc1cc(S(=O)(=O)NCc2nonc2C)c(C)s1 742325427 NUGOCNFFDDXLBC-UHFFFAOYSA-N 287.366 1.535 0 50 CDAA Cc1cnc(O)c(CNC(=O)N2C[C@H](N)C3(CCC3)C2)c1 1553550936 PZLWGTLDQOQKON-LBPRGKRZSA-N 290.367 1.118 0 50 CDAA Cc1ccc2c(=O)n([C@@H]3CCCNC3)cnc2c1C 757177935 OSNNSSSHGHGHHW-GFCCVEGCSA-N 257.337 1.938 0 50 CDAA C[C@@H](C(=O)O)C1CN(S(=O)(=O)CC2CC(F)(F)C2)C1 871726170 RJBHTIRXQXYIEX-SSDOTTSWSA-N 297.323 1.014 0 50 CDAA CCOC(=O)c1[nH]cnc1CNC(=O)Cc1ccco1 952883054 XRNUGHMEWYGAKS-UHFFFAOYSA-N 277.280 1.038 0 50 CDAA Cc1ccc2[nH]c(=N[C@H]3CCCC[C@H]3C(N)=O)sc2n1 1875286848 JKHPSTUMQBXJJE-ZJUUUORDSA-N 290.392 1.878 0 50 CDAA C=CC(=O)NCc1cc(F)ccc1N1CCCN(C)CC1 1875366328 ASVYZIRWAHNTRM-UHFFFAOYSA-N 291.370 1.770 0 50 CDAA Cc1ccccc1[C@]1(C)C[C@H]1NC(=O)[C@H](O)C(C)(C)N 1875319692 NZGGNXHBVNSOIQ-WWGRRREGSA-N 276.380 1.239 0 50 CDAA Nc1ncn(Cc2ccc(Cl)cn2)c2ncnc1-2 1875356911 RILIKBFMMNNYNO-UHFFFAOYSA-N 260.688 1.457 0 50 CDAA CN(C(=O)c1cccnc1Cl)[C@]1(C)CCOC1 1875374453 QWXKSBYOEBTMGP-GFCCVEGCSA-N 254.717 1.986 0 50 CDAA CCn1ccnc1/C=C/c1nnc([C@@]2(OC)CCOC2)o1 886086545 WESYHWQIWCZYHW-ISZGNANSSA-N 290.323 1.718 0 50 CDAA CC(C)(C)OC(=O)NCCn1cc(C(=O)O)cn1 1772717469 FRBKZYSQUJQBKA-UHFFFAOYSA-N 255.274 1.106 0 50 CDAA Cn1cc([C@@]2(CNC(=O)C3CC=CC3)CCCO2)cn1 890154436 SOCZQSFAPZBOMY-HNNXBMFYSA-N 275.352 1.508 0 50 CDAA NC(=O)[C@]12CCC[C@H]1CN(C(=O)NCC1CCCCC1)C2 891437578 UZWXGHBSGLZEBR-BBRMVZONSA-N 293.411 1.864 0 50 CDAA O=C(O)c1ccc(C2(F)CN(S(=O)(=O)C3CC3)C2)cc1 1776006898 ZAFRDUBXEUKTPP-UHFFFAOYSA-N 299.323 1.357 0 50 CDAA C=CC(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 1336722045 JLDDYSIIAYEONS-LBPRGKRZSA-N 262.284 1.575 0 50 CDAA CS(=O)(=O)[C@H]1CCCC[C@H]1NCCNc1ccccn1 271746112 WMFXJLOGWOLWBB-OLZOCXBDSA-N 297.424 1.439 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(C2CCCCC2)C1 38193265 AKDODHQNUBLKDI-JSGCOSHPSA-N 294.395 1.463 0 50 CDAA O=C(N[C@@H]1CNCC[C@@H]1O)c1csc2ccccc12 1565510059 HQPHZWVKJBLKCN-NEPJUHHUSA-N 276.361 1.354 0 50 CDAA Ic1ccc2c(n1)OCCN2 39961384 JMOGCZVMMIYNOX-UHFFFAOYSA-N 262.050 1.491 0 50 CDAA in-vitro Cc1nn(CCC(=O)O)c(C)c1NC(=O)[C@H](C)C1CC1 630332480 ZFVMNRKQBXEUGE-MRVPVSSYSA-N 279.340 1.959 0 50 CDAA CN(C)C(=O)CC1CCN(c2ncnc3[nH]ccc23)CC1 272842487 GPMARBICRINLLB-UHFFFAOYSA-N 287.367 1.653 0 50 CDAA CC(=O)NC1CCC(NCCc2ccc(O)cc2)CC1 275393052 YWTGYMNAGDTGDQ-UHFFFAOYSA-N 276.380 1.972 0 50 CDAA CC(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 275623143 JFODUDQIIUXWSW-LBPRGKRZSA-N 279.409 1.976 0 50 CDAA COc1ccsc1S(=O)(=O)NCc1conc1C 583650993 CWTFMQXNUFHWIX-UHFFFAOYSA-N 288.350 1.532 0 50 CDAA C[C@@H]1C(=O)N(c2ccc3c(c2)NC(=O)CC3)C(=O)N1C 278096478 KWMKCFMYVIFROL-MRVPVSSYSA-N 273.292 1.358 0 50 CDAA Cc1ccc(OCC(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc1 1074582617 GOUXVTZUUHZYBC-BFHYXJOUSA-N 261.321 1.667 0 50 CDAA Cn1ncnc1S(=O)(=O)Cc1cccc(Cl)c1 170610965 ZCDFCDBRGCSNAW-UHFFFAOYSA-N 271.729 1.442 0 50 CDAA C[S@](=O)C1(CNCc2ccc3c(c2)OCCO3)CCC1 280618617 KSVOZIQQPCZBDT-FQEVSTJZSA-N 295.404 1.849 0 50 CDAA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)[C@H](C)C(F)F 585115758 RCNXOFIYMMVCGT-HZGVNTEJSA-N 296.339 1.795 0 50 CDAA C[C@@H](CN(C)C)[C@H]1CCCCN1Cc1cnn(C)c1 585117011 OXKWCWHYPNZXAG-DZGCQCFKSA-N 264.417 1.972 0 50 CDAA CCCCCOCC(=O)N1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C 585126055 MTZNXYIACCWOEP-JHJVBQTASA-N 284.400 1.694 0 50 CDAA Cc1noc([C@H](C)NS(=O)(=O)CC(C)(C)C)n1 408428817 GRJPVHMSJJLINY-ZETCQYMHSA-N 261.347 1.405 0 50 CDAA CCc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CC 555027090 QGQRFYPLRONMNU-GFCCVEGCSA-N 287.367 1.913 0 50 CDAA CC[C@@H](SC)C(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1 189989621 HYWRBWODXVBMQU-QJPTWQEYSA-N 283.397 1.508 0 50 CDAA Cn1cc([C@@H]2CSCCN2CC(=O)OC(C)(C)C)cn1 191210074 VHZHOONIGXNBKM-LBPRGKRZSA-N 297.424 1.852 0 50 CDAA Cc1ccnc(NC(=O)c2cccc(-n3cccn3)n2)n1 194680183 BVGMTKZUAVBQOQ-UHFFFAOYSA-N 280.291 1.618 0 50 CDAA CN(Cc1cccc(C(F)(F)F)c1)C[C@](C)(O)C(=O)O 568061433 GONKJXRPZNQLLC-LBPRGKRZSA-N 291.269 1.973 0 50 CDAA CC(C)N1CCC[C@H]1CNc1ccc(C(=O)O)nn1 1506427669 OUVMNZGNQLLMTI-JTQLQIEISA-N 264.329 1.460 0 50 CDAA Cc1cnn(C2CCCC2)c1NC(=O)CN1CCOC1=O 1506407977 ZPVAPNUSUHBBPW-UHFFFAOYSA-N 292.339 1.697 0 50 CDAA CNc1ncccc1C(=O)N(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529188788 CXCKFWHEMZJTRR-MPZDIEGVSA-N 289.379 1.745 0 50 CDAA COCCC(=O)N1CCC[C@@]2(CCC[C@H]2OC)C1 1704297119 HRVGFUVPFIEGKP-OCCSQVGLSA-N 255.358 1.831 0 50 CDAA CN(Cc1cc(C2CC2)on1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704325227 JWLSFNRJYCLQCJ-MBNYWOFBSA-N 289.379 1.899 0 50 CDAA CCC[C@H]1CN(Cc2nc[nH]c2C)C[C@@H]1N(C)C 222073487 GVNYHODVNDPMCV-JSGCOSHPSA-N 250.390 1.880 0 50 CDAA COc1ccc(C(=O)N2CC[C@@H](C(=O)O)C2)c(F)c1 225946435 YOVFGIYMCBDWPX-MRVPVSSYSA-N 267.256 1.381 0 50 CDAA O=S(=O)(O)c1ccc(I)cc1 3619328 UBRJOJKCAVYQSH-UHFFFAOYSA-N 284.074 1.538 0 50 CDAA in-vitro COc1cccnc1CNC(=O)[C@@H](C)c1cnn(C)c1 1615590846 QFMUNAJJXNDNCE-JTQLQIEISA-N 274.324 1.244 0 50 CDAA Cc1nc(C)n(C2CN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)n1 333465915 MSYZPELLJOWSLA-OLZOCXBDSA-N 260.341 1.324 0 50 CDAA O=C(Cc1ccc2c(c1)CCC2)N[C@@H]1CCO[C@@H]1C(=O)O 1616001962 NQYYZJUCVPGXCO-HIFRSBDPSA-N 289.331 1.076 0 50 CDAA CNc1nc(C(=O)N[C@H]2COc3ccccc3C2)cs1 216209764 FCCVHUGUADMHTH-SNVBAGLBSA-N 289.360 1.918 0 50 CDAA C[C@]1(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CCOC1=O 585085389 QZFIPECLUSANPI-RMIALFOJSA-N 251.326 1.635 0 50 CDAA CC[C@]12C[C@H]1CN(C(=O)c1cn3cccnc3n1)C2 1772812582 LFWOQHRSTUVCBL-IINYFYTJSA-N 256.309 1.601 0 50 CDAA CCN(CC)CC(=O)N1CCO[C@@H](Cc2ccccc2)C1 12465402 RSSWVYDTQXTSML-INIZCTEOSA-N 290.407 1.798 0 50 CDAA COc1ccc(OC)c([C@H]2NCCc3nc[nH]c32)c1 5611081 OLJLGOINCQIVAB-CYBMUJFWSA-N 259.309 1.662 0 50 CDAA biogenic O=C(O)CCS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 18093800 YSBKYVZIVNGVDB-JTQLQIEISA-N 297.307 1.666 0 50 CDAA COc1cccc(OCCCN2CCOCC2)c1 19607529 CWKRCZONQGSVKI-UHFFFAOYSA-N 251.326 1.796 0 50 CDAA Nc1nc(NCCc2cscn2)cc([C@H]2C[C@@H](N)C2)n1 222304694 XLMHKTWDHRHVEN-KYZUINATSA-N 290.396 1.375 0 50 CDAA COc1ccc(F)c(CN2C[C@@H]3CCOC[C@]3(CO)C2)c1 1857668765 PJLOKILKSNCUAE-XJKSGUPXSA-N 295.354 1.665 0 50 CDAA CCN=c1ncc(-c2nccn2-c2c(C)n[nH]c2C)c[nH]1 1857683945 SAFVZAVHCVUDQQ-UHFFFAOYSA-N 283.339 1.523 0 50 CDAA C[C@@H](c1cccc(-c2nc(C(N)=O)n(C)n2)c1)N1CCCC1 1857710173 KIPDKKHJFMQOHT-NSHDSACASA-N 299.378 1.738 0 50 CDAA Cc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](N)[C@H](O)C2)cc1 1875247378 UNYOTRKWMGYVDN-RRFJBIMHSA-N 276.380 1.442 0 50 CDAA CCOC(=O)NS(=O)(=O)c1ccc(NC(C)=O)cc1 2529356 ONOVYVJUYZYMCH-UHFFFAOYSA-N 286.309 1.080 0 50 CDAA in-vitro CN(C(=O)CSc1nc(N)cc(=O)[nH]1)C1CCCCC1 4864950 WVGUGXPADFGOCA-UHFFFAOYSA-N 296.396 1.235 0 50 CDAA CCOc1nc(N2C[C@@H]3CCN(C)C[C@@H]3C2)ncc1Cl 631325569 GBYSNVCPZQGGSM-WDEREUQCSA-N 296.802 1.917 0 50 CDAA CC[C@H]1CN(c2cc(CO)c(F)cn2)C[C@@]2(CCOC2)O1 663862404 APCPVQINKCDTBH-SWLSCSKDSA-N 296.342 1.487 0 50 CDAA CNC(=O)CNC(=O)NCC[C@H](C)c1ccccc1 253392419 UDPRIQRPFFAOBW-NSHDSACASA-N 263.341 1.225 0 50 CDAA Cn1ccc(CCNC(=O)N2CCCc3occc3C2)n1 570894869 VLQOZPLYOAGLLZ-UHFFFAOYSA-N 288.351 1.714 0 50 CDAA O=C(NC[C@@H]1CCCO1)c1ccccc1-c1cn[nH]c1 585141354 UKHXXLQNQPKWRW-LBPRGKRZSA-N 271.320 1.986 0 50 CDAA Cc1ncc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cn1 264178574 XVYWDBBSPDRZSK-GXFFZTMASA-N 292.364 1.178 0 50 CDAA COc1ccccc1-c1cn(CCc2ccnn2C)nn1 900558483 MHUOOTATOROKJY-UHFFFAOYSA-N 283.335 1.930 0 50 CDAA Cc1cc(N)nc(N2CCN(C(=O)c3ccccc3)CC2)n1 825138935 NZUIKOHNNAAONL-UHFFFAOYSA-N 297.362 1.330 0 50 CDAA C[C@@H](CNC(=O)c1ccsc1C(F)F)S(N)(=O)=O 935182077 DBNLJKIAWIDMDH-YFKPBYRVSA-N 298.336 1.093 0 50 CDAA C[C@@H]1c2nncn2CCN1C(=O)c1cc2cccn2cn1 935618751 NUULWZCMLKOBLE-SNVBAGLBSA-N 282.307 1.143 0 50 CDAA COc1cc(O)ncc1C(=O)N1CC[C@@H](c2ccccn2)C1 935807103 HJODPOHVKQELJI-LLVKDONJSA-N 299.330 1.821 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(C2CCCC2)C1 219847 RLNDDYZKYVBPFV-AAEUAGOBSA-N 280.368 1.073 0 50 CDAA COc1ccccc1C[C@@H](C)N[C@H]1CCCCNC1=O 4022936 PRMOMIGBCGVQBO-OCCSQVGLSA-N 276.380 1.885 0 50 CDAA CC1CCN(C[C@@H]2CCCN(CCC(=O)O)C2)CC1 236709774 DIZQDLFTJVGNOV-CQSZACIVSA-N 268.401 1.905 0 50 CDAA C[C@H](C(=O)O)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F 263542190 DPBNTELBWLXXGG-LURJTMIESA-N 293.245 1.118 0 50 CDAA N[C@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 269103626 AZCKCDUDHZRIFR-LBPRGKRZSA-N 270.336 1.436 0 50 CDAA Cc1nn(C)c(Cl)c1CN1CC[C@]2(CCCNC2)C1 67742641 MKSLQIWQPSVLOB-AWEZNQCLSA-N 282.819 1.957 0 50 CDAA Cc1nnc(CN2Cc3ccccc3[C@H](C(=O)O)C2)[nH]1 312600276 YEWVDLOUAQDMNM-GFCCVEGCSA-N 272.308 1.297 0 50 CDAA C[C@@H]1CC(NC[C@@H]2CCc3nccn3C2)C[C@@H](C)O1 328646216 SNLZTCFUDHKOBY-UPJWGTAASA-N 263.385 1.991 0 50 CDAA c1nc(N2CCC[C@@]3(CCNC3)C2)c2cc[nH]c2n1 333546639 OPUWGMHWVMNYEV-AWEZNQCLSA-N 257.341 1.538 0 50 CDAA CC(C)C[C@H](Nc1ccnc(C(F)(F)F)n1)C(N)=O 91270561 PPWDNYIBPCNNEL-ZETCQYMHSA-N 276.262 1.807 0 50 CDAA CN(CCO)C1CCN(CC2=CCCCC2)CC1 450371813 KLJJSCNDYSHHIL-UHFFFAOYSA-N 252.402 1.875 0 50 CDAA Cc1cn(C)nc1C(=O)N1CC[C@]2(C(=O)O)CCC[C@H]12 723423166 MOJZDTPXNQOKHQ-IINYFYTJSA-N 277.324 1.198 0 50 CDAA CCc1nccn1CCC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2 2100482996 LBVLQYVWLATNNC-ZSOGYDGISA-N 291.395 1.598 0 50 CDAA Cc1cc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)ccc1F 665344890 ZBADIFLPKZJORE-IUODEOHRSA-N 279.311 1.667 0 50 CDAA CC1(C(=O)N2CCC(n3nc4ccccc4n3)CC2)CNC1 2325801642 QLYLYQDLDZGBHK-UHFFFAOYSA-N 299.378 1.204 0 50 CDAA CC[C@@](C)(NC(=O)/C=C/c1cncc(C)c1)c1nn[nH]n1 2325807208 HSFVBOVKBGMBJY-VBROQKIQSA-N 286.339 1.358 0 50 CDAA CO[C@@H]1CCN(C(=O)Cn2nnc3ccccc32)C[C@H]1C 1449867458 ZBRHXIYMFXJCIO-BXUZGUMPSA-N 288.351 1.315 0 50 CDAA CCC[C@@H](C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 30903 SRDIUQZKAHGSGB-SNVBAGLBSA-N 284.381 1.386 0 50 CDAA CCOC(=O)c1c(-n2cnnn2)sc(C)c1C 201766 HJGNQCLDKFXSBB-UHFFFAOYSA-N 252.299 1.517 0 50 CDAA O=S1(=O)N=C(Nc2nncs2)c2ccccc21 386206 AWGSASMHCRGOHV-UHFFFAOYSA-N 266.307 1.099 0 50 CDAA COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 380258 WIMDZNUGWTZETI-UHFFFAOYSA-N 271.338 1.025 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1C1CCCCC1 408685 HZXQPLQFSQKWSL-LLVKDONJSA-N 252.314 1.695 0 50 CDAA O=C(NCc1ccc2c(c1)OCO2)c1cnsn1 479776 IEBCUOJMHLKRTM-UHFFFAOYSA-N 263.278 1.197 0 50 CDAA CCNc1nc(NCC)nc(SCC(C)=O)n1 618804 GYNVGTWMUWHRJY-UHFFFAOYSA-N 255.347 1.416 0 50 CDAA OC[C@@]12COC[C@@H]1CN(CCCCOc1ccccc1)C2 2356165587 KLIAYOBBMIBTGH-RDJZCZTQSA-N 291.391 1.786 0 50 CDAA CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1 4833941 QFNSTOBXMPCGSI-CSKARUKUSA-N 260.249 1.390 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(CCSc2ccccn2)C1 65387339 BSMYSBAZHJQVKM-SECBINFHSA-N 266.322 1.107 0 50 CDAA Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)o1 62186082 QDPWWCQMTZCERX-UHFFFAOYSA-N 278.356 1.607 0 50 CDAA COCc1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)no1 173060447 OIMHBSQSBDAEQF-ZDUSSCGKSA-N 290.323 1.532 0 50 CDAA Cc1nc(CN(C)Cc2nc(-c3ccccn3)no2)c[nH]1 65394740 WOMBUXXYKMHMIA-UHFFFAOYSA-N 284.323 1.795 0 50 CDAA CCc1cc(N[C@@H](C)CN2CCOCC2)nc(N(C)C)n1 65429090 LTRQZHGVORHGKJ-LBPRGKRZSA-N 293.415 1.238 0 50 CDAA CC(=O)NC(C)(C)c1noc([C@@]2(F)CCOC2)n1 332360047 JFJNGISOOUGMAB-LLVKDONJSA-N 257.265 1.026 0 50 CDAA CCOCCN1CCN([C@H](C)C(=O)NC2CC2)C[C@H]1CC 252474891 OBPMBUCLZIIYDH-UKRRQHHQSA-N 297.443 1.086 0 50 CDAA CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2CCC2)C1 67801181 JLULMRXPOJJYGH-NSHDSACASA-N 268.357 1.912 0 50 CDAA C[C@H](O)CN1CCN([C@@H](C)c2cccnc2)C[C@H]1C 252475109 SRZSJHATCWPYQU-RDBSUJKOSA-N 263.385 1.530 0 50 CDAA CCNc1ncc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)s1 252511205 DYJXQYDBNJPIIZ-GUDRVLHUSA-N 295.408 1.712 0 50 CDAA NC(=O)c1ccc(CN2CCCC[C@H]2c2nc[nH]n2)cc1 121712532 ACPLJAYEGNWBEJ-ZDUSSCGKSA-N 285.351 1.631 0 50 CDAA COc1ccc(Cn2c(Cc3cccnc3)n[nH]c2=O)cc1 67910278 LYROUMGUMZUQLT-UHFFFAOYSA-N 296.330 1.614 0 50 CDAA CC(C)c1nc([C@@H](C)NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)n[nH]1 332766184 TWMURRGASPJSAF-CHWFTXMASA-N 293.371 1.608 0 50 CDAA CCc1nc(CN(C)C(=O)[C@@H]2CC(C(C)C)=NO2)no1 67786795 CQXQCENRQLNTNI-JTQLQIEISA-N 280.328 1.391 0 50 CDAA CC(C)CN1CCC(NCCc2nnc(N)s2)CC1 67843115 IJYRFQLGZWITLI-UHFFFAOYSA-N 283.445 1.373 0 50 CDAA COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)O)cc12 67613156 VUAHMLVEMBXQRZ-SSDOTTSWSA-N 292.291 1.388 0 50 CDAA Cc1nc(C)n(C2CN(C(=O)[C@@]3(C)C[C@H]4CC[C@H]3O4)C2)n1 329475257 BTWNRQUVWREQCR-NFAWXSAZSA-N 290.367 1.236 0 50 CDAA O=[S@](Cc1ncc(C2CC2)o1)[C@H]1CCCOC1 329570765 UPQUWHRLIKOQEE-DYZYQPBXSA-N 255.339 1.980 0 50 CDAA Cc1cc(C(F)(F)F)nc(-n2nc(C)cc2N)n1 32919423 KUDBZNSZDBKXEM-UHFFFAOYSA-N 257.219 1.880 0 50 CDAA CN1CCN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1c1nccn1C 366659990 IVVRORXFLJSLOV-GJBLVYBDSA-N 299.378 1.277 0 50 CDAA O=C(NC1CCN(CC2CC2)CC1)[C@H](O)c1ccccc1 174073083 JJCBZGOBKWWFNK-MRXNPFEDSA-N 288.391 1.711 0 50 CDAA Cc1noc([C@H]2CN(c3ncccc3Cl)CCN2C)n1 284401138 BDRWMOVCBZHFCT-LLVKDONJSA-N 293.758 1.920 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12 124370292 YNKPVIHQYYCZES-SECBINFHSA-N 289.310 1.101 0 50 CDAA O=C(N[C@@H]1CC[S@@](=O)C1)[C@@H]1CCCc2cccnc21 333344287 PWLDAUNQPFUPPU-HNYWDRBLSA-N 278.377 1.139 0 50 CDAA O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC(CC(F)F)C1 333463527 MEFPJXSEUYTEQT-VIFPVBQESA-N 285.294 1.641 0 50 CDAA Cc1ccc(-n2nccc2NC(=O)[C@@H]2CCCOC2)nn1 155709899 YTXQJHPCXRUTFS-LLVKDONJSA-N 287.323 1.336 0 50 CDAA O=C(Cc1cccs1)N1CCC(n2cnnc2)CC1 216228619 XSGIXFXKVMFVHY-UHFFFAOYSA-N 276.365 1.746 0 50 CDAA OCCCNc1cc(-c2ccncc2)nc2ccnn12 72476665 SSLVGKZRXCSUAC-UHFFFAOYSA-N 269.308 1.586 0 50 CDAA C[C@@H](CCNC(=O)CN1CCCC1)n1ccnc1 219028502 HJKDRTWMLSRITO-LBPRGKRZSA-N 250.346 1.046 0 50 CDAA N[C@@H]1CCCC[C@@H]1CC(=O)N1CCCn2nccc21 335069766 QXWZBOMNCLKYAV-VXGBXAGGSA-N 262.357 1.527 0 50 CDAA Nc1ccc(C(=O)N2CCC(c3ccnc(N)n3)CC2)cn1 216118643 LFMLEJVZVFSECL-UHFFFAOYSA-N 298.350 1.056 0 50 CDAA COc1cccc(F)c1C(=O)N1C[C@@H](C)[C@H](C(N)=O)C1 285532164 NRSPREUQIOACMP-RKDXNWHRSA-N 280.299 1.028 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ns1 373884531 WMDGBEGIPNVYFM-QXEWZRGKSA-N 279.365 1.178 0 50 CDAA NC(=O)c1ccc(NC[C@H]2CCCN2c2cccnn2)nc1 373964869 ILGMGKVCADDRIY-GFCCVEGCSA-N 298.350 1.051 0 50 CDAA CCc1ccccc1CN1C(=O)NC2(CCNCC2)C1=O 77452802 GHFVMFVCTPKYBG-UHFFFAOYSA-N 287.363 1.423 0 50 CDAA O=C(O)C[C@H]1COCCN1CCCc1ccccc1 72158849 OAPKLGZQXIORMY-AWEZNQCLSA-N 263.337 1.795 0 50 CDAA CC[C@@]1(O)CCCN(c2ncnc3c2c(C)nn3C)C1 72474651 PRYFKVXMSCPRPL-CQSZACIVSA-N 275.356 1.413 0 50 CDAA COCCCCC(=O)N[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 241930320 UHQFXFGRBXZTRR-YRRQLQLVSA-N 269.341 1.419 0 50 CDAA O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1CCc2ncnn2C1 131850851 FBGSFMBYKKQXCT-SNVBAGLBSA-N 299.338 1.082 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)COCCOc1ccccc1 263309891 PBGOHQYZLADHRS-CYBMUJFWSA-N 293.319 1.158 0 50 CDAA Cc1noc(C)c1CN1C[C@H](O)[C@@H](N2CCCCC2)C1 215764541 GFPDPWJTRGHHQZ-GJZGRUSLSA-N 279.384 1.322 0 50 CDAA O=S1(=O)C[C@@]2(N3CCCC3)c3ccccc3CC[C@H]21 45027593 BNOHGQQVODUVMR-HUUCEWRRSA-N 277.389 1.721 0 50 CDAA CCOC(=O)c1c(O)cc(C(F)(F)F)[nH]c1=O 85221551 NFLFXWQKMVHMAR-UHFFFAOYSA-N 251.160 1.276 0 50 CDAA COc1cc(F)c(C(=O)N2CC[C@@H](CN)C2)cc1OC 178522725 WXLVUMWNQLILFB-VIFPVBQESA-N 282.315 1.264 0 50 CDAA O=C(Nc1cc(C2CC2)ccn1)[C@H]1CCc2[nH]nnc2C1 292224037 MMZQNWXWVSCACH-NSHDSACASA-N 283.335 1.821 0 50 CDAA OC1CC(c2cc(NCCn3cccc3)ncn2)C1 222852507 OHIAWPPVUVPVNM-UHFFFAOYSA-N 258.325 1.629 0 50 CDAA Cc1nc2ccccn2c1CN1CCN(C)[C@H](CCO)C1 42628392 VWHKOZYKCBKVFS-CQSZACIVSA-N 288.395 1.141 0 50 CDAA CNCc1nnc(SC[C@H]2CC(F)(F)C2(F)F)n1C 426530795 KBGJQVTZNUNNOC-ZCFIWIBFSA-N 298.309 1.917 0 50 CDAA CC(C)n1nccc1C(=O)N1CCN(c2cccnc2)CC1 426409326 NIKKIMAVUCUEQD-UHFFFAOYSA-N 299.378 1.821 0 50 CDAA CCN(CCO)C(=O)c1ccc(-c2cc(=N)[nH]cn2)cc1 426444635 QARNMGNMODTDOZ-UHFFFAOYSA-N 286.335 1.011 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(SCCO)cc1 426361410 UMSBCRYXHBLKJE-LBPRGKRZSA-N 295.360 1.460 0 50 CDAA CCn1ncnc1[C@H](C)NC(=O)CCCN1CCCCC1 95372901 GQTALRGCFBPWCH-ZDUSSCGKSA-N 293.415 1.741 0 50 CDAA CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 95630377 AKHBRSJRXLGZJK-VHSXEESVSA-N 273.329 1.167 0 50 CDAA O=C(O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Cc2ccccc2)C1 268912405 NWBWIVHGAMDAGH-HZSPNIEDSA-N 273.332 1.798 0 50 CDAA COCC(=O)N1CCC[C@@H](c2nc(CSC)no2)C1 96165877 MAGXFSHDGOSHOL-SECBINFHSA-N 285.369 1.285 0 50 CDAA C[C@@H](NC(=O)c1cnc2ccccn2c1=O)C(F)(F)F 335555139 YXGCSMSPDRXLLW-SSDOTTSWSA-N 285.225 1.375 0 50 CDAA O=C(NCc1ccsc1)c1ccc(Cn2cnnn2)cc1 97674142 GPDWNQUPALLLKH-UHFFFAOYSA-N 299.359 1.713 0 50 CDAA CCc1cc(N[C@H](c2ncnn2C)C2CC2)ncn1 95352733 ZWIXIBNHMBPRMW-LBPRGKRZSA-N 258.329 1.731 0 50 CDAA COc1ccc([C@@]2(C(=O)NCCN)CC2(C)C)cc1 96142238 XHHBWYYOIYYCIO-OAHLLOKOSA-N 262.353 1.438 0 50 CDAA O=C(NCc1ccc2nonc2c1)c1cn2ccsc2n1 91769780 BZAWQTDAEJPIKX-UHFFFAOYSA-N 299.315 1.862 0 50 CDAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCS(C)(=O)=O 245339190 RCMVUTARNKFRHM-GRYCIOLGSA-N 273.398 1.601 0 50 CDAA CC(C)[C@H](C(=O)N1CCCC1)N1C[C@H](C)O[C@H](C)C1 248221375 HZKPJMMWRQBBNO-HZSPNIEDSA-N 268.401 1.743 0 50 CDAA COCCN1C[C@H](Cc2ccccc2F)CC1=O 244701304 KDUSUCIPVKFKMK-LLVKDONJSA-N 251.301 1.863 0 50 CDAA CC[C@H](NC(=O)c1ccc(O)cc1F)[C@H]1C[C@H](O)C1 244741994 OAGJLXSMNBNVCH-FWDPORAESA-N 267.300 1.811 0 50 CDAA CN(Cc1ccc(C(=O)O)cc1)C(=O)C[C@@H]1CCOC1 299749784 LMOUHPDPVQGMKM-LBPRGKRZSA-N 277.320 1.770 0 50 CDAA CC(C)n1cnc2ccc(NC3=CC(=O)NC3)cc2c1=O 524735268 MWQCZXMAFZHWPV-UHFFFAOYSA-N 284.319 1.403 0 50 CDAA CN1CCC[C@@H]1CCN(CCO)Cc1ccco1 252502810 UTHVBBAUFHCBIB-CYBMUJFWSA-N 252.358 1.558 0 50 CDAA O=C(CCN[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)N1CCOCC1 252890349 HJWZHUPFGNQYGP-RBGFHDKUSA-N 292.423 1.650 0 50 CDAA C[C@H](CCC(=O)NCC1(CO)CCCC1)N1CCOCC1 534652287 UNOLVEBLWKHPBV-CQSZACIVSA-N 298.427 1.156 0 50 CDAA CC(C)c1cc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)no1 534629713 DVTLFYRJKDWPJY-KPWCQOOUSA-N 261.369 1.980 0 50 CDAA Cc1nc(NC(=O)[C@H]2COc3ccccc3O2)ns1 1940198431 RWYHWIBGQMZDDD-SNVBAGLBSA-N 277.305 1.625 0 50 CDAA CN(C)Cc1cccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)c1 371959919 OUSKEVBATRHJQS-HNNXBMFYSA-N 298.390 1.759 0 50 CDAA CCc1csc(CNC(=O)c2ccc3nnnn3c2)n1 823543366 ZCQKZAWVFJYEGC-UHFFFAOYSA-N 288.336 1.073 0 50 CDAA COc1cccc(CN(C)CCn2cnnc2C)c1 824781046 OPMHOHWMJFISQK-UHFFFAOYSA-N 260.341 1.727 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)N1CCCC1 810975 QBVQBEIBIRPHIX-UHFFFAOYSA-N 255.339 1.788 0 50 CDAA CC[C@H]1CC[C@H](C(=O)N2C[C@H](O)[C@@H](OC)C2)CC1 584891341 UQEHISBMIDUMIH-CYDGBPFRSA-N 255.358 1.421 0 50 CDAA Cc1cc(C(=O)N2CCO[C@@H](C3CC3)C2)cnc1C 584884112 RWTQVVKHWQXHGY-CQSZACIVSA-N 260.337 1.949 0 50 CDAA CCO[C@H]1COC[C@@H]1n1cnc2cccc(F)c2c1=O 584884745 ICDUOTDPMLGOFO-RYUDHWBXSA-N 278.283 1.512 0 50 CDAA Cc1ncn(C)c1C(=O)NC[C@@H]1CCCN1C(C)C 670456842 ZLZCTLWQNARNMI-LBPRGKRZSA-N 264.373 1.331 0 50 CDAA CN(C)C[C@@H]1CCN(Cc2ccc3ncccc3c2)C[C@H]1O 670460102 HWWMTSALUBALAW-FUHWJXTLSA-N 299.418 1.979 0 50 CDAA COc1ccc(CN2CC[C@@H](C(C)(C)O)C2)cc1O 670445263 OGPICWMYBFGETD-GFCCVEGCSA-N 265.353 1.994 0 50 CDAA Cc1nc2ncccn2c1C(=O)N[C@@H]1CCc2c[nH]nc2C1 670473669 GFUVKCCLPSQWFF-LLVKDONJSA-N 296.334 1.048 0 50 CDAA COCCNCCOCCOc1ccccc1OC 2981067 LGYVKYUVHBXPGG-UHFFFAOYSA-N 269.341 1.327 0 50 CDAA CCn1nnc(C)c1CN1CC[C@H](CCN(C)C)C1 952880298 CIFPFWKNCSBTSY-ZDUSSCGKSA-N 265.405 1.380 0 50 CDAA COc1cn(C)nc1[C@@H](C)Nc1cc(F)ncn1 952995232 FNLSNUSZGGUHMV-SSDOTTSWSA-N 251.265 1.531 0 50 CDAA O=C(NCCc1ccncc1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 1875278127 AZVWLNJTCUMXRU-PYHGIMPFSA-N 287.363 1.443 0 50 CDAA C[C@@](NCC(=O)Nc1cccnc1)(C(N)=O)c1ccccc1 1875255107 VMPVNKITWMTXLA-INIZCTEOSA-N 298.346 1.010 0 50 CDAA Cc1nn(C)c2nc(C(=O)N3C[C@@H]4C[C@H]3[C@H]3C[C@H]34)cc(O)c12 1875302357 MIJZHKAAFCBWJA-GMOBBJLQSA-N 298.346 1.463 0 50 CDAA NC(=O)c1ccnc(C(=O)N2CC[C@H](c3ccccc3)C2)c1 1875336799 MWPMAJATUMINOX-AWEZNQCLSA-N 295.342 1.810 0 50 CDAA CN(CC1CCOCC1)C(=O)/C=C/CN1CCCC1 1875337587 AJYHGXQJPDKJOP-SNAWJCMRSA-N 266.385 1.523 0 50 CDAA CC(C)(C)OC(=O)N1CC(O)([C@H](N)c2ccccc2)C1 958528572 QTIVACPRABCKEF-GFCCVEGCSA-N 278.352 1.668 0 50 CDAA CCc1c(C(=O)N[C@@]2(c3ncc[nH]3)CCOC2)ccn1C 886096617 MMDXWVGZTLUTKB-HNNXBMFYSA-N 288.351 1.356 0 50 CDAA O=C(NC1(c2ccccc2)COC1)[C@H]1CCc2n[nH]cc2C1 888565170 ZJNIYWVHGIXONS-LBPRGKRZSA-N 297.358 1.557 0 50 CDAA C[C@@H](NC(=O)[C@@H]1Cc2ccc(F)cc21)c1nn(C)cc1O 1412772004 VIBXPRSWEQURSW-PRHODGIISA-N 289.310 1.782 0 50 CDAA Cc1cnn(CCC(=O)N2C[C@@H]3C[C@@]3(C(F)(F)F)C2)c1 1776002688 NWLPWERIYOVXCA-CMPLNLGQSA-N 287.285 1.992 0 50 CDAA CC[C@H](NS(=O)(=O)c1ccco1)[C@@H](O)C(F)(F)F 275443273 HHOCMVLJHJQBLO-POYBYMJQSA-N 287.259 1.260 0 50 CDAA O=C1C[C@H](CN2CCC[C@H](C(F)(F)F)C2)CN1 585094224 RYKWCKUWFKNANI-IUCAKERBSA-N 250.264 1.397 0 50 CDAA O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1cncc(O)c1 275680228 MAKPKWWQASKURD-UONOGXRCSA-N 285.303 1.442 0 50 CDAA Nc1ccnc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 275977680 OAXKSZQIBLIHKQ-ZDUSSCGKSA-N 298.394 1.998 0 50 CDAA CCOC(=O)C[C@@H](O)CN1CCC[C@H]1c1ccccn1 585123399 BSLBPMXCMNIBHB-OCCSQVGLSA-N 278.352 1.533 0 50 CDAA CN1CCN(C(=O)c2ccn(C)n2)C[C@H]1C(C)(C)C 585126904 KWPWCDAWYUFFCY-LBPRGKRZSA-N 264.373 1.222 0 50 CDAA Cc1nc(NCC[C@H](O)C(F)(F)F)c2cnn(C)c2n1 733893684 HIVTXORUWAYNOB-QMMMGPOBSA-N 289.261 1.397 0 50 CDAA CC1(C)CCC[C@@H]1NCC(=O)NCc1cccnc1 170607212 LKMVXRKVJVLGGA-ZDUSSCGKSA-N 261.369 1.866 0 50 CDAA O=S(=O)(NCCCF)c1cnc(-c2ccccc2)nc1 170602310 KMDAFMFYLMQWCA-UHFFFAOYSA-N 295.339 1.782 0 50 CDAA Cc1noc(C)c1C(=O)Cn1cnc2c(c1=O)CCC2 186701800 QERGMYXGKVODCA-UHFFFAOYSA-N 273.292 1.220 0 50 CDAA C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)Cn2ccnc2)C1 282319683 YMZYQVYECNOBNM-TUVASFSCSA-N 291.395 1.671 0 50 CDAA CC(C)c1nnc(CCC(=O)N2C[C@@H](C)N(C)C[C@@H]2C)o1 408071036 OTOPUEHCQIEJOJ-NEPJUHHUSA-N 294.399 1.677 0 50 CDAA C[C@@H](c1nnnn1C)N1CCO[C@H](c2cccc(F)c2)C1 189070623 OJHWULHHLMDDBD-GWCFXTLKSA-N 291.330 1.484 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)c2csnc2C)C1(C)C 191803718 WTAQKERGLMPYFV-SMDDNHRTSA-N 298.408 1.747 0 50 CDAA C[C@@H]1CN(C(=O)Cc2cnn3ccccc23)CCCO1 648270325 HKCXUYJTZFKNLY-GFCCVEGCSA-N 273.336 1.514 0 50 CDAA Cc1cc(C)nc(CN(C)c2ccc(C(N)=O)cn2)c1 1506416793 MDRPGQGKJWQJSL-UHFFFAOYSA-N 270.336 1.829 0 50 CDAA CC(C)C(=O)N1CCN2[C@@H](c3ccccc3)COC[C@H]2C1 1529133897 MSYRYJUNXXBUNI-HZPDHXFCSA-N 288.391 1.927 0 50 CDAA Cc1cc(Cl)ccc1C(=O)N1CC[C@H](C(=O)O)[C@H](O)C1 1704304387 MQCVCDGEACOGJW-NWDGAFQWSA-N 297.738 1.556 0 50 CDAA Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2CN)c1 237641055 WEFBFSDVNYGUHP-CYBMUJFWSA-N 268.382 1.248 0 50 CDAA Cc1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)on1 659201005 RKWOEBZRLARGCA-UHFFFAOYSA-N 278.268 1.252 0 50 CDAA CCC[C@H]1CN(c2cc(C(=O)O)ncn2)C[C@@H]1C(=O)O 222382853 UGHQASCOXRVHEV-IUCAKERBSA-N 279.296 1.112 0 50 CDAA NS(=O)(=O)c1cc(F)c(Br)cc1F 2574883 MINSVLXUGHJBPH-UHFFFAOYSA-N 272.070 1.375 0 50 CDAA in-vitro C1=C[C@@H]2[C@H](C1)C[C@H]2NCCc1nnc2ccccn12 216028175 GXMVTAFHYUDMKT-JHJVBQTASA-N 254.337 1.826 0 50 CDAA Cc1cc(NC(=O)C2(S(C)(=O)=O)CC2)nn1C(C)C 1615547637 KHCSXLSCWXXCQY-UHFFFAOYSA-N 285.369 1.288 0 50 CDAA C[C@H](NC(=O)Cn1nccc1N)[C@H]1C[C@H]2CC[C@H]1C2 1616037091 BRLMUHCQIWIMIW-FIQHERPVSA-N 262.357 1.406 0 50 CDAA COc1ccc(N[C@@H](C)c2cn(C3COC3)nn2)cn1 1616036900 AIBIGNOSRSIURG-VIFPVBQESA-N 275.312 1.426 0 50 CDAA O=C(O)CCCCC(=O)N1CCOC[C@H]1CC(F)F 1595031818 LGXGNZWBJWFPKF-SECBINFHSA-N 279.283 1.514 0 50 CDAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1nccn1C1CC1)C2 1772712766 YLWDIKOSVUCUIY-ABAIWWIYSA-N 291.351 1.141 0 50 CDAA CC(C)(C)CN1CCC[C@@](O)(CNCc2ccon2)C1=O 12315450 SWELMBSVBQKHST-OAHLLOKOSA-N 295.383 1.164 0 50 CDAA Cn1c(=O)[nH]c(=O)c2c(-c3ccccc3)ccnc21 13624200 XWAGIIFOCRJXHO-UHFFFAOYSA-N 253.261 1.289 0 50 CDAA CCC(=O)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 15068571 QBNPVAHWGOFGIY-GFCCVEGCSA-N 283.331 1.973 0 50 CDAA NC[C@H](Cc1ccc(Br)cc1)C(=O)O 16696848 GKIMDBLWVUDOQG-QMMMGPOBSA-N 258.115 1.651 0 50 CDAA COc1cccc(NC(=O)C[C@@H]2SC(=N)NC2=O)c1 18136952 UOAFXFFBVLYQIC-VIFPVBQESA-N 279.321 1.190 0 50 CDAA CCc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169296921 CGXAEUHVOGPLNT-MQYQWHSLSA-N 287.315 1.842 0 50 CDAA COC(=O)c1ccc(N2C[C@H](C)O[C@H](C3CC3)C2)nc1 408517063 DJRDLJYNBKAMMY-GWCFXTLKSA-N 276.336 1.872 0 50 CDAA Cn1c(CN2CCO[C@@H](CC(N)=O)C2)cc2ccccc21 639355662 XTVBIBBOOCFQOD-AWEZNQCLSA-N 287.363 1.255 0 50 CDAA CN(C)C(=O)N1CCC(C(=O)N[C@H]2CC[C@H](F)C2)CC1 334184850 BWCMBHFAECQNKI-RYUDHWBXSA-N 285.363 1.387 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc(-n2cccn2)cc1 238051262 UDSUFRRSIVBCBA-CQSZACIVSA-N 299.330 1.952 0 50 CDAA Cc1nc([C@H](C)N2Cc3ccccc3[C@H](C(=O)O)C2)n[nH]1 652469840 GBWOXZQJWKPSEH-TVQRCGJNSA-N 286.335 1.858 0 50 CDAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@H]1C(=O)O 262684482 ULEGGFUAJIEIHZ-SRVKXCTJSA-N 285.340 1.036 0 50 CDAA O=C(O)COc1ccc(CNC[C@@H]2CCCCO2)cc1 902160613 MQRSAYSALUEZPI-AWEZNQCLSA-N 279.336 1.809 0 50 CDAA COc1ccc(Cc2nc(CS(C)(=O)=O)no2)c(C)c1 903966374 KVUUEBAAEMAONE-UHFFFAOYSA-N 296.348 1.522 0 50 CDAA O=C(NCc1ncc2c(n1)CCC2)[C@H](F)C(F)(F)F 909680500 PKONRUKOFFMAMN-VIFPVBQESA-N 277.221 1.482 0 50 CDAA COc1c(C)ncnc1N1CCC2(CC1)C[C@H]2C(=O)O 910309362 PMOKVJSMHSNZIK-JTQLQIEISA-N 277.324 1.485 0 50 CDAA c1n[nH]cc1Cc1noc(COC[C@H]2CCCO2)n1 924135432 IRGGVTKJVHDKEQ-SNVBAGLBSA-N 264.285 1.079 0 50 CDAA COc1c(C)[nH]cc(CN(C)Cc2nocc2C)c1=O 931325254 BHYXNHRSJVWOMA-UHFFFAOYSA-N 277.324 1.620 0 50 CDAA COCCNCCNC(=O)c1ccc(F)c(F)c1F 212765881 MLMIVLPQQDDLLN-UHFFFAOYSA-N 276.258 1.070 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)CC2CCCCC2)C1 111713268 NCJJJMRNENSHOB-TZMCWYRMSA-N 288.457 1.956 0 50 CDAA O=C(NC[C@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1 143465934 HMKPXYOGKIEWHZ-GFCCVEGCSA-N 271.320 1.986 0 50 CDAA O=C(O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)NCc1ccoc1 229002343 ISFTVNSRIOJOQY-WOPDTQHZSA-N 278.308 1.674 0 50 CDAA O=C(C1CCOCC1)N1CCC(c2ccn[nH]2)CC1 125836408 ZXSBVMVOWGGTGS-UHFFFAOYSA-N 263.341 1.542 0 50 CDAA C[C@H](O)C[C@@H]1CCCCN1C(=O)CCn1ccnc1 279883867 UEZLRANKMKSDOO-STQMWFEESA-N 265.357 1.425 0 50 CDAA Cc1cc(C(=O)NCCc2nc3ccccc3[nH]2)[nH]n1 48623574 RHGXFHJWYBCTDP-UHFFFAOYSA-N 269.308 1.567 0 50 CDAA COC(=O)c1ccc(CN2C[C@H](OC)[C@@H](OC)C2)cc1 300175908 HKURUAYSSNFITK-KBPBESRZSA-N 279.336 1.319 0 50 CDAA CCCC[C@@H](CC(=O)O)NC(=O)c1c(C)ncnc1C 426678203 VNYCAFRHZNTBMH-NSHDSACASA-N 279.340 1.857 0 50 CDAA COCC1(C(=O)NC2(CO)CCCCC2)CCC1 534662714 JKKXLOGFDVMQPZ-UHFFFAOYSA-N 255.358 1.615 0 50 CDAA CC1(C)C[C@@H](O)CCN(CCN2CCCC2=O)C1 670450493 SGPQNDRGTWBKLA-LBPRGKRZSA-N 254.374 1.092 0 50 CDAA CC(C)N1CCCN(CCc2nccn2C)CC1 821751203 RWPJAFOKPYZIPG-UHFFFAOYSA-N 250.390 1.379 0 50 CDAA Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 2492431 VXSXNCFOMAYFEE-UHFFFAOYSA-N 272.304 1.220 0 50 CDAA O=C(NC[C@H]1CCCCO1)c1n[nH]cc1C1CCC1 2325784956 VZGGJJHKAQZFMX-LLVKDONJSA-N 263.341 1.976 0 50 CDAA C[C@@H]1CCn2nccc2N1C(=O)CN1CCCCCC1=O 2325805764 UUGOSHOQBGQNNN-GFCCVEGCSA-N 290.367 1.411 0 50 CDAA COC[C@@](C)(O)c1cn([C@H](C)c2cccc(F)c2)nn1 881269503 RMPDCTIOYQBPKV-QMTHXVAHSA-N 279.315 1.880 0 50 CDAA COc1ccccc1N1C(N)=NC(N)=NC12CCCCC2 146413 VBDGNAITTIPYBS-UHFFFAOYSA-N 287.367 1.805 0 50 CDAA O=C(N[C@H](O)C(Cl)(Cl)Cl)c1ccco1 247507 GRGOQUBKQQMSQV-ZCFIWIBFSA-N 258.488 1.698 0 50 CDAA O=C(NCc1ccccc1)c1ccc(-n2cnnn2)cc1 272429 PACFMLZLHBQTBX-UHFFFAOYSA-N 279.303 1.592 0 50 CDAA COC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 379830 RFRCBFCJHGLEGI-UHFFFAOYSA-N 271.338 1.242 0 50 CDAA CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 381926 QRLZRDWATLCERM-UHFFFAOYSA-N 297.785 1.042 0 50 CDAA O=C(O)c1cccc(N2C(=O)c3cccnc3C2=O)c1 509551 RMOQRHJKQBNGQL-UHFFFAOYSA-N 268.228 1.580 0 50 CDAA COc1ccc(C)cc1NC(=O)C[C@@H]1SCCNC1=O 2210911 DTQPDMKHCOIGOZ-LBPRGKRZSA-N 294.376 1.564 0 50 CDAA NC(=O)c1ccccc1OCc1ccc2c(n1)NCC2 2356143161 WWFTWCPCEHESGO-UHFFFAOYSA-N 269.304 1.728 0 50 CDAA CCCC[C@@H](CC)CNC(=O)C(=O)NC[C@@H]1CCCO1 2906299 NOZARZVBJZWMFG-OLZOCXBDSA-N 284.400 1.614 0 50 CDAA CSc1nsc(SCC(=O)N2CCCC2)n1 4434202 XKTYOTCWHUXMBX-UHFFFAOYSA-N 275.424 1.975 0 50 CDAA Cc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4791095 NCZWLIXTMOVGHZ-LLVKDONJSA-N 268.338 1.304 0 50 CDAA Cc1cc(NC(=O)C(N)=O)ccc1Br 4840272 XQOOEQBEVVEVBQ-UHFFFAOYSA-N 257.087 1.181 0 50 CDAA O=c1cc(CSCc2n[nH]c(=O)[nH]2)c2ccccc2[nH]1 4941950 KUYCWLDOKLFJKK-UHFFFAOYSA-N 288.332 1.373 0 50 CDAA COC(=O)C(=C/C(C)=C/c1ccco1)C(=O)OC 4956807 ITIHJQYNHWDUHF-VQHVLOKHSA-N 250.250 1.955 0 50 CDAA COc1ccc(OC)c(NC(=O)CN2CCCC2)c1 7786123 CWJOPGLGLMAAQX-UHFFFAOYSA-N 264.325 1.738 0 50 CDAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCCC1)C(=O)C2 100749015 ZMFWRRBSOAHXCC-SMDDNHRTSA-N 285.409 1.807 0 50 CDAA CCn1cc(CN2CCN(C(C)C)[C@@H](CCO)C2)cn1 23153396 YERCPNLFYDEVSO-HNNXBMFYSA-N 280.416 1.180 0 50 CDAA CO[C@H](C)CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248157272 WAKQZSROWCVAAJ-JHJVBQTASA-N 254.374 1.497 0 50 CDAA C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 248767360 XIHUEXSCZNMWKJ-UXXRCYHCSA-N 298.427 1.992 0 50 CDAA CCOC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(C)c1 55008593 WYGHCOXDEREONK-AWEZNQCLSA-N 290.363 1.249 0 50 CDAA CN1CCN(Cc2noc([C@H]3CCOC(C)(C)C3)n2)CC1 67723854 IXOZNZKXDRHGMA-LBPRGKRZSA-N 294.399 1.490 0 50 CDAA N[C@@H]1CCC[C@H](C(=O)N2[C@H]3CC[C@H]2CC(O)C3)C1 250652489 MRDGSDLNNXSALK-USZNOCQGSA-N 252.358 1.018 0 50 CDAA CNC(=O)NC(=O)CN1CCC[C@@H]2CCC[C@@H](C)[C@@H]21 229188903 ZRFFHGCZOLJLGX-MDZLAQPJSA-N 267.373 1.343 0 50 CDAA COC(=O)c1cc(OC)cc(OC)c1-c1ncc[nH]1 67919988 XBURRGUCLHNSCG-UHFFFAOYSA-N 262.265 1.881 0 50 CDAA CCN(c1ccc(C(=O)NC)cc1)S(=O)(=O)CC 65362318 FOQKCXOPKQKCAO-UHFFFAOYSA-N 270.354 1.222 0 50 CDAA O[C@H]1CCN(c2ccc(I)cn2)C1 147394242 BAWCCGJXPDCTCJ-QMMMGPOBSA-N 290.104 1.257 0 50 CDAA Cc1n[nH]c(C)c1CN1CCC[C@@H](N(C)C)CC1 215075005 CPVYGNODEQXLCN-CYBMUJFWSA-N 250.390 1.943 0 50 CDAA CN1CCO[C@H](CCNC(=O)c2cccc3cnccc23)C1 67934084 RFKBAVOWMXCJTO-CQSZACIVSA-N 299.374 1.685 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)c2cnn(C)c2)cc1 215005 DCOOZGFFTLHDPD-UHFFFAOYSA-N 272.308 1.655 0 50 CDAA CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 257366253 PLUJUVWAZQIWFQ-MFKMUULPSA-N 286.372 1.444 0 50 CDAA C[C@@H](N)[C@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 328596358 JDLGPTAELRLQNY-NAISLTENSA-N 259.353 1.681 0 50 CDAA NCCN1C(=O)O[C@H](Cc2cccc(Cl)c2)C1=O 39320078 MPIMDVJJNDUJPU-SNVBAGLBSA-N 268.700 1.189 0 50 CDAA COC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1 36135397 ZQROKTOCCZZEEX-GFCCVEGCSA-N 262.309 1.554 0 50 CDAA CCC[C@H](NC(=O)Cc1csc(C)n1)C(=O)O 36836252 YHUDLJYWBFFQJS-VIFPVBQESA-N 256.327 1.364 0 50 CDAA COCCOc1ccccc1NC(=O)[C@@]1(F)CCNC1 153235826 SNXUSJSFPMJBQZ-CQSZACIVSA-N 282.315 1.352 0 50 CDAA C[C@H]1OCCN(Cc2ccc(F)cc2F)[C@@H]1C(N)=O 284535319 GVZJIULJKVTCJX-PELKAZGASA-N 270.279 1.039 0 50 CDAA Cc1nc([C@@H]2CCCN2C(=O)c2ccc(O)nn2)cs1 330266798 AGYXQSXXPQIXNQ-NSHDSACASA-N 290.348 1.924 0 50 CDAA CCCn1ncnc1CN1C[C@H](COC)OC(C)(C)C1 330522502 IWFIBNDWHMLICF-GFCCVEGCSA-N 282.388 1.314 0 50 CDAA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)C1(C(=O)O)CC1 154906973 FRXFQZWMJYRAHO-GHMZBOCLSA-N 283.368 1.809 0 50 CDAA C[C@](O)(C(=O)N1CCC(Oc2cnccn2)CC1)C1CC1 367827480 WJUPKDIFCYJGSZ-OAHLLOKOSA-N 291.351 1.007 0 50 CDAA CC(C)[C@@H]1CN(CCC(=O)O)CCC(=O)N1CC1CC1 71681975 GCVPVFULPNBPTH-ZDUSSCGKSA-N 282.384 1.430 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)O)s1 261750084 WIXBODZICOQHHR-UHFFFAOYSA-N 277.367 1.409 0 50 CDAA O[C@@H]1CCCN(c2ccnc(-c3cccc4ccnn34)n2)C1 215900842 SXXMLLGNICFJGK-CYBMUJFWSA-N 295.346 1.752 0 50 CDAA CN[C@H](C)Cc1noc(-c2ccc3c(c2)CCC(=O)N3)n1 261907384 ZGTJXKKWYHQBIE-SECBINFHSA-N 286.335 1.772 0 50 CDAA O=C1CC[C@H](CC(=O)NCC2=CCCCC2)CN1 333595624 CBRLNCHTHUWBJM-GFCCVEGCSA-N 250.342 1.519 0 50 CDAA COc1ccc(C(=O)Nc2nccn2C)c(OC)c1OC 412730944 IDBYEUJYFUURPC-UHFFFAOYSA-N 291.307 1.698 0 50 CDAA C[C@@H](C(=O)O)N(C)C(=O)c1cccc(C[S@@](C)=O)c1 262213779 ULTDBQNNJVCKEE-ZRNGKTOUSA-N 283.349 1.110 0 50 CDAA CC[S@](=O)c1ccccc1C(=O)N(C)[C@@H](C)C(=O)O 263032196 YZYPCQABQYODJY-UGZDLDLSSA-N 283.349 1.359 0 50 CDAA O=C1CCC[C@H](C(=O)N2CCc3cccc(Cl)c3C2)N1 334507655 FOTQJIXTIMGUMQ-CYBMUJFWSA-N 292.766 1.893 0 50 CDAA O=C(CCn1cc(Cl)cn1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71776887 NLTXBKFVHUNSMB-FNFFVJSTSA-N 295.770 1.562 0 50 CDAA O=C(Cc1cc(F)ccc1F)NC1(C(=O)O)CC1 238085710 BUQBTRNGTBBCDE-UHFFFAOYSA-N 255.220 1.241 0 50 CDAA O=C(O)CN(C(=O)/C=C/c1ccccc1)C1CCOCC1 238106805 XMGGEASVFHBXDX-VOTSOKGWSA-N 289.331 1.792 0 50 CDAA Nc1nc(-c2cnc3ccccc3c2)cc2nncn12 215917485 DFUGQVXVGSJHKA-UHFFFAOYSA-N 262.276 1.922 0 50 CDAA OC[C@@H](O)CNc1ccc2c(Cl)ccnc2c1F 133466126 PHHZHTZINWQLFQ-ZETCQYMHSA-N 270.691 1.792 0 50 CDAA O=C(O)c1cccc(N2CC[C@@](CO)(c3ccccc3)C2)n1 262965654 ALJAIYYITGIHBL-QGZVFWFLSA-N 298.342 1.920 0 50 CDAA Cn1c(N2CCC(N3CCNC3=O)CC2)nc2ccccc21 241923281 UERDENPVBRLQHM-UHFFFAOYSA-N 299.378 1.567 0 50 CDAA CCO[C@H]1C[C@H](OC(=O)c2cncn2C)C12CCC2 241923298 UEULGHADFQILAB-RYUDHWBXSA-N 264.325 1.925 0 50 CDAA CNC(=O)c1cccc(NC(=O)NC[C@H]2CCOC2)c1C 44174288 BTJRBRRRCIOUQM-LLVKDONJSA-N 291.351 1.513 0 50 CDAA COC(=O)C1=C(C(=O)OC)C[C@]23CCCC[C@@]2(C1)O3 45072046 YVQPOKGCOWALER-OKILXGFUSA-N 266.293 1.505 0 50 CDAA Cc1c(C(=O)N2CC[C@H](N)C2)c(O)nc2ccccc12 132321088 HBEJHUCKJWQFLO-JTQLQIEISA-N 271.320 1.422 0 50 CDAA C[C@H](CNC(=O)c1ccc(=O)[nH]c1)N(C)c1ccccc1 46949989 IAXGLCFUPDOBAH-GFCCVEGCSA-N 285.347 1.630 0 50 CDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCC[C@@H](N)C1 82106066 SZDIIQFUDGKSGQ-GFCCVEGCSA-N 292.383 1.071 0 50 CDAA CSCC(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1 220265569 OLOJJHRPCOLZRX-XQQFMLRXSA-N 280.393 1.243 0 50 CDAA NCCOCCOCCOCCOCc1ccccc1 82046435 IYODTXXMZZZHEJ-UHFFFAOYSA-N 283.368 1.212 0 50 CDAA Cc1cnn([C@@H]2CCN(C(=O)c3ccncc3C)C2)c1 291406637 YNQDCTIFRFDATF-CYBMUJFWSA-N 270.336 1.982 0 50 CDAA CCOC(=O)C(=O)c1ccccc1C1OCCCO1 43209597 SQYFOEILOJORME-UHFFFAOYSA-N 264.277 1.868 0 50 CDAA CCN1CCC2(CC1)C[C@H]1C[C@H]3C=C[C@@]1(CN2C(C)=O)O3 222267532 ILVPOFGJZSFGPB-INMHGKMJSA-N 290.407 1.807 0 50 CDAA CNC[C@H]1CCN(C(=O)c2cccnc2NC(C)C)C1 178975126 OQHOFWZQJARHSM-GFCCVEGCSA-N 276.384 1.583 0 50 CDAA Cc1c[nH]c(C(=O)N2CCCC[C@H](N(C)C)C2)n1 82120945 AMXKCEBPSAZDSU-NSHDSACASA-N 250.346 1.274 0 50 CDAA CCOC(=O)c1csc(CN2CCc3[nH]ncc3C2)n1 292480181 ALHJPJGVKUPXJJ-UHFFFAOYSA-N 292.364 1.601 0 50 CDAA O=C(O)[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 426395918 GUJAVZVAFYAHBZ-SSDOTTSWSA-N 291.229 1.508 0 50 CDAA Cn1ncnc1CCNC(=O)[C@H]1Cc2ccccc2S1 426445438 DGPSCFRYXAZJAM-GFCCVEGCSA-N 288.376 1.191 0 50 CDAA Cc1cc(CNC(=O)N2CCC[C@@]3(CCNC3)C2)n[nH]1 426589741 ICOGOXTXSIPUBR-AWEZNQCLSA-N 277.372 1.003 0 50 CDAA Cc1ccc(O)c(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 239174643 QIYSCSCHGPVDOZ-NWINYUPESA-N 287.315 1.837 0 50 CDAA O=C(N[C@H]1CNCC[C@H]1O)c1cc2c(Cl)cccc2[nH]1 426501927 UKFFTXNMQBFELR-QWHCGFSZSA-N 293.754 1.274 0 50 CDAA CNCCCNC(=O)c1ccc([C@H]2CCCNC2)cc1 95370520 UNCOASOWZJPZKB-HNNXBMFYSA-N 275.396 1.493 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 239121218 JNHBKFAZBKSPLV-FOCJUVANSA-N 285.299 1.053 0 50 CDAA Cc1cc(CNC(=O)CC[C@H]2CCCN(C)C2)n(C)n1 91908381 SDITWYPNWNRDDK-CYBMUJFWSA-N 278.400 1.467 0 50 CDAA CC(C)c1nnsc1CNC(=O)[C@@]1(C)CCCO1 426668948 FUOOUTIIBZBBRT-GFCCVEGCSA-N 269.370 1.847 0 50 CDAA COCCn1cnnc1CN(C)Cc1nccs1 97757964 JWMXGVZHUYDMMN-UHFFFAOYSA-N 267.358 1.013 0 50 CDAA Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)c(C)c1 247895442 XCJIHYAZJOHNIN-AAVRWANBSA-N 269.300 1.746 0 50 CDAA COc1coc(CN(CC(=O)O)CC(C)C)cc1=O 534665406 GOCVZDAJFDGQCY-UHFFFAOYSA-N 269.297 1.191 0 50 CDAA COc1cccc2c1OCCCN(C(=O)[C@H]1C=CCN1)C2 534643570 SVHHEHSURSMXKK-CYBMUJFWSA-N 288.347 1.334 0 50 CDAA CCc1cccc(C)c1NC(=O)NC[C@@H]1CCNC[C@H]1O 534579850 DNLMCZJBEWFNAY-UONOGXRCSA-N 291.395 1.649 0 50 CDAA CCN=c1[nH]c(C)c(C(=O)N(C)Cc2cc(C)on2)s1 584904116 JUJZJRFVCFDGRI-UHFFFAOYSA-N 294.380 1.874 0 50 CDAA CC(C)CN1CCC(NCCc2ncnn2C)CC1 821246130 QJKMFXHBOPHGSQ-UHFFFAOYSA-N 265.405 1.068 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)COCc1ccccc1 584893396 UTPGYPVQUIDVGX-OAHLLOKOSA-N 287.363 1.995 0 50 CDAA O=C(CCC(F)(F)F)NCCN1CCC[C@@H](CO)C1 670455431 WTIPOEXXQXDSLA-SNVBAGLBSA-N 282.306 1.149 0 50 CDAA Cc1nn(C2CCOCC2)cc1NC(=O)[C@@H]1CCO[C@@H]1C 1548789381 KXIPGWRWXDTXLG-DGCLKSJQSA-N 293.367 1.907 0 50 CDAA Cc1ccncc1C(=O)NC[C@@H]1CCO[C@@H]1c1nc[nH]n1 952888144 DITKDNLLXZXJFM-JQWIXIFHSA-N 287.323 1.016 0 50 CDAA C[C@@H](C(=O)Nc1ccc2c(=O)[nH]ccc2c1)[C@@H]1CCNC1 1875287762 YJKRLNCGWATCCI-ZYHUDNBSSA-N 285.347 1.712 0 50 CDAA Cc1c(C(F)(F)F)n[nH]c1CN1CCC[C@@H]1C(=O)O 1875283076 FGMYQQDHFHLZLG-MRVPVSSYSA-N 277.246 1.786 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)Cc1nc(C)cs1 1875367214 QWLRLJKWKKQPOB-UHFFFAOYSA-N 281.381 1.444 0 50 CDAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2cc[nH]c2)C1 886082572 POACRLHGCSLJRV-ZNMIVQPWSA-N 291.395 1.729 0 50 CDAA O=Cc1sc(Br)nc1C1OCCO1 958720335 OPBFTSOQCUSOOH-UHFFFAOYSA-N 264.100 1.764 0 50 CDAA C=CC(=O)NCCc1ccc2c(c1)OC(F)(F)O2 1353214339 BWHMDAKIUTULBV-UHFFFAOYSA-N 255.220 1.853 0 50 CDAA Cc1ccc(OC[C@@H](O)CN2CCOCC2)cc1C 19607295 UZIVXTQGFKHZDO-AWEZNQCLSA-N 265.353 1.375 0 50 CDAA Fc1c[nH]ccc1=N[C@H]1COCC[C@@H]1Oc1ccccn1 1565508225 UMKLQSDFPWBMRG-KBPBESRZSA-N 289.310 1.686 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)NCc2cnc3c(c2)CCC3)C1 1565531331 MGLMWEQGZFWXDM-OLZOCXBDSA-N 288.347 1.687 0 50 CDAA CC1(C)[C@H](NC(=O)c2ccc(C(=O)O)o2)[C@@H]2CCO[C@H]21 271928659 GWCGTOJHBUFWGY-WHGOUJPWSA-N 279.292 1.521 0 50 CDAA O=C(Cc1cncs1)N1CCC[C@H]1[C@H](O)C(F)(F)F 276281805 SABGYTTXLYWSQM-WPRPVWTQSA-N 294.298 1.600 0 50 CDAA COC(=O)c1ccc(Br)cc1S(C)(=O)=O 42684522 OMTWUICAKUOXOV-UHFFFAOYSA-N 293.138 1.639 0 50 CDAA in-vitro c1ccc2oc(N3CC(CN4CCOCC4)C3)nc2c1 408518623 QHIRWLXVLCOTOM-UHFFFAOYSA-N 273.336 1.596 0 50 CDAA Cc1nn(C)c(C)c1CCCN1C(=O)N[C@@H](C(C)C)C1=O 170592641 OGHBGBOJIOKWKN-ZDUSSCGKSA-N 292.383 1.546 0 50 CDAA O=S(=O)(NC[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCC1 225244275 QPIBIYFUUBTYFB-SRVKXCTJSA-N 258.387 1.353 0 50 CDAA NC(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)c[nH]1 170621702 RFEJQGGTAMOUBH-ZDUSSCGKSA-N 283.331 1.921 0 50 CDAA FC(F)(F)c1ccn(Cc2nnnn2-c2ccccc2)n1 225517751 XDCGYKCAIGJYMI-UHFFFAOYSA-N 294.240 1.926 0 50 CDAA O=C(c1cnn2ccccc12)N1CC[C@H]2CC[C@@H](C1)N2 226280938 YFVSDSRPANXMGZ-NEPJUHHUSA-N 270.336 1.301 0 50 CDAA Cc1nonc1NC(=O)CN1CCc2ccccc2C1=O 279830816 NGYNURGEEDTORX-UHFFFAOYSA-N 286.291 1.015 0 50 CDAA CC(=O)NCc1ccc(C(=O)N[C@H]2CCCOC2)s1 171678596 RXDGEHLRQSXSBH-JTQLQIEISA-N 282.365 1.293 0 50 CDAA O=C(O)c1cnc(=NCc2ccc(N3CCCC3)nc2)[nH]c1 565038162 MVYSIELDSMZCMO-UHFFFAOYSA-N 299.334 1.204 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](C(C)(C)O)C1 721862991 MKESQONUUJYTPH-NSHDSACASA-N 265.357 1.188 0 50 CDAA Cc1cccc([C@H](O)CNc2cncc(-n3cncn3)n2)c1 767810440 IIRVGTRJANSWRV-CYBMUJFWSA-N 296.334 1.511 0 50 CDAA C[C@@H]1CN(Cc2ncnn2CC(F)F)CC2(CCC2)O1 583497954 QBVGAWDPMGYGPI-SNVBAGLBSA-N 286.326 1.687 0 50 CDAA COCc1nc(C)cc(N2CC(N3CCCC3)C2)n1 585092772 NBOOOSRDWHRJPN-UHFFFAOYSA-N 262.357 1.216 0 50 CDAA CCCCCOCC(=O)N1[C@H](C)CC[C@H](C(N)=O)[C@H]1C 585126056 MTZNXYIACCWOEP-UPJWGTAASA-N 284.400 1.694 0 50 CDAA O=C(NC1CC1)[C@@H](O)C1CCN(Cc2ccsc2)CC1 585655746 ZKVSGPMEMXGEKM-AWEZNQCLSA-N 294.420 1.600 0 50 CDAA Cc1cccc(CNC(=O)N2CC(F)(F)C[C@H]2CO)n1 681965294 WHJDSGYZEHAVCP-NSHDSACASA-N 285.294 1.302 0 50 CDAA COc1cc(C)nc(N2CCN(CC(C)(C)O)C[C@H]2C)n1 681987199 OLQDUVRBCQNUPI-GFCCVEGCSA-N 294.399 1.075 0 50 CDAA COc1cc(C)c(C)cc1S(=O)(=O)N1CC=CC1 1260764734 JRQMQTGIQBZERB-UHFFFAOYSA-N 267.350 1.873 0 50 CDAA O=C(CN1CCCN2CCC[C@H]2C1)NCC1CCCCC1 1506424841 NTMRFMYUZBODJR-INIZCTEOSA-N 293.455 1.853 0 50 CDAA Cc1nc(N)nc(N2CCC[C@@H](N(C)C)C2)c1Cl 1506411147 WZXWXAXQEZLION-SECBINFHSA-N 269.780 1.551 0 50 CDAA CN(C)C(=O)c1c[nH]nc1NCc1cscn1 902662374 PRUTWINETHWEEM-UHFFFAOYSA-N 251.315 1.180 0 50 CDAA CC1=C(C(=O)N2CCC[C@H](N(C)C)CC2)OCCO1 1506431403 NMKMCFZHSKWEDE-LBPRGKRZSA-N 268.357 1.207 0 50 CDAA Cc1ncc(CN(CCO)Cc2ccc3c(c2)CCO3)[nH]1 1704309256 LYHICZSGFYGNCD-UHFFFAOYSA-N 287.363 1.648 0 50 CDAA CCOCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 221023145 BFZJMXRKIBMNJT-DCAQKATOSA-N 255.314 1.267 0 50 CDAA O=S(=O)(c1cscn1)N1CCCC12CCC2 335381189 UPRJQTULYIAEFN-UHFFFAOYSA-N 258.368 1.850 0 50 CDAA O=C1C[C@@H](C(=O)N2CCC[C@@H](CC(F)(F)F)C2)CN1 335488180 OJMZZRDOLQSVNU-DTWKUNHWSA-N 278.274 1.314 0 50 CDAA NCC(=O)N1CCC2(CC1)OCCc1sccc12 1704297305 LVEQVVVSUQIMJT-UHFFFAOYSA-N 266.366 1.097 0 50 CDAA Cc1nc[nH]c1CN(CCO)Cc1cccc2nonc12 1704308855 MYJOTYLHSIXCOE-UHFFFAOYSA-N 287.323 1.249 0 50 CDAA CC[C@H](C)[C@@H](CN(C)C)Nc1nc(O)c2cnn(C)c2n1 1614995182 VVBZCGLGVNEADN-GXSJLCMTSA-N 292.387 1.457 0 50 CDAA Cc1ncccc1CNC(=O)[C@H]1C[C@@H]2[C@@H](N)C[C@H]2C1 1615001078 KWMLSAXKLUUJEB-MQYQWHSLSA-N 259.353 1.380 0 50 CDAA CC(C)[C@H]1CN(C(=O)c2cnn3ccc(N)cc23)CCO1 1615616199 KFANPPYPICZKSB-CQSZACIVSA-N 288.351 1.414 0 50 CDAA CCc1ccccc1CNC(=O)[C@]12CNC[C@H]1CCOC2 1615615492 QTMDEZQXRCSDBV-WBVHZDCISA-N 288.391 1.491 0 50 CDAA Clc1cccc(Cn2nnnc2N2CCCOCC2)c1 1616033303 NCAQSLLCMCUBMZ-UHFFFAOYSA-N 293.758 1.602 0 50 CDAA Cc1nsnc1C(=O)N(C)Cc1c(C)noc1C 1857687369 UIVGXHRAIDPQAQ-UHFFFAOYSA-N 266.326 1.724 0 50 CDAA c1nc(CN2C[C@@H]3C[C@@H]4COC[C@@H]4[C@@H]3C2)cs1 1857737279 FNGWIHFVEWTNPZ-YGNMPJRFSA-N 250.367 1.857 0 50 CDAA C[C@H](Cc1ccncc1)NC(=O)c1ccncc1O 219076746 GGIYAGBSGRQGRF-SNVBAGLBSA-N 257.293 1.543 0 50 CDAA O=C(c1ccc(Cl)o1)N1CCN2C(=O)OC[C@H]2C1 493670797 VOFNGTDLQFQBQS-SSDOTTSWSA-N 270.672 1.210 0 50 CDAA Cc1nc(Cc2ccc3c(c2)OCO3)n([C@H]2CCOC2)n1 1775980428 XLSXNPGFCRELAA-LBPRGKRZSA-N 287.319 1.867 0 50 CDAA CN1C[C@@H](CN2CCc3[nH]nc(C4CC4)c3C2)CCC1=O 1775978723 HKJQIVNFZUSIJB-NSHDSACASA-N 288.395 1.514 0 50 CDAA Cc1cc2[nH]c(=O)c(=O)[nH]c2c(Br)c1C 5593981 GIXSTHCPBMWZFI-UHFFFAOYSA-N 269.098 1.596 0 50 CDAA CC(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 12379374 OYEKTPLNCYSWFO-UHFFFAOYSA-N 274.364 1.604 0 50 CDAA CC(C)NS(=O)(=O)NC(=O)c1c[nH]c2ccccc12 12382649 PWIKJOPTSWDTEP-UHFFFAOYSA-N 281.337 1.141 0 50 CDAA Nc1nnc2c(n1)[nH]c1ccc(Br)cc12 12404614 SKMXJAYVKYKOOR-UHFFFAOYSA-N 264.086 1.851 0 50 CDAA CCN1CCN(C(=O)c2cc3ccccc3[nH]2)CCC1=O 14886764 YWFDRJCDVXYRPT-UHFFFAOYSA-N 285.347 1.862 0 50 CDAA CCNCC[C@H]1CCC(=O)N1CCCOC(C)C 14958747 YAIIKSHECRDLAO-CYBMUJFWSA-N 256.390 1.792 0 50 CDAA COc1ccccc1[C@@H]1CC(=O)Nc2nc(C)[nH]c(=O)c21 17027753 KAFXPJWECMUYMR-JTQLQIEISA-N 285.303 1.561 0 50 CDAA CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)C1 169676188 YHQVBIYAMICIEJ-MXWKQRLJSA-N 297.351 1.145 0 50 CDAA Cc1cnccc1[C@@H](C)NCC1(C(N)=O)CCOCC1 1857529146 CIUZAAYWQMAWTP-GFCCVEGCSA-N 277.368 1.323 0 50 CDAA COc1ccccc1-n1nc(C)nc1[C@H]1C[C@@H](N)[C@H](O)C1 1857720217 JUIFBCHBLRWFJE-DMDPSCGWSA-N 288.351 1.150 0 50 CDAA CCC[C@@]1(CO)CN(c2cncc3nccn23)CC[C@@H]1O 1875245964 UYBPUWIVFLSJRU-WFASDCNBSA-N 290.367 1.079 0 50 CDAA CN(C(=O)C[C@H]1CCCO1)[C@@H](C(=O)O)c1ccccc1 584908019 MOVZXEIVLHXAQG-TZMCWYRMSA-N 277.320 1.840 0 50 CDAA Cc1cc(N[C@H]2CCCN(CCF)C2)nc(C)n1 849478445 UQRLYXOYUKHPOD-LBPRGKRZSA-N 252.337 1.939 0 50 CDAA C[C@H]1CN(C(=O)[C@@H]2CCCN2)C[C@H](c2ccc(F)cc2)O1 161565244 YZBQTAMYLUTYLD-TUKIKUTGSA-N 292.354 1.866 0 50 CDAA CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@H](C)CO 1875273079 IZNYOGCAMSEJKK-UPJWGTAASA-N 286.416 1.992 0 50 CDAA CCc1csc([C@H](C)NC(=O)[C@H](C)NC(C)=O)n1 823542471 HAPVPNCFMZEYLZ-YUMQZZPRSA-N 269.370 1.407 0 50 CDAA CCc1nsc(N[C@H]2C(=O)NCC2(CC)CC)n1 928996254 QKDHISYGUIUYRH-VIFPVBQESA-N 268.386 1.817 0 50 CDAA Cc1cc(C(=O)N2CCC([C@H](O)CO)CC2)ccc1Cl 1772701438 LRIBIYKOMOINFN-CQSZACIVSA-N 297.782 1.854 0 50 CDAA CC(C)(C[C@H]1CCCN(CC2(O)CCOCC2)C1)C(N)=O 930608163 XVVFSBQHRCVRAB-CYBMUJFWSA-N 298.427 1.142 0 50 CDAA Cc1cncc(CN2CCc3nccc(N)c3C2)c1 931519928 VSMPSFCCYRJSLO-UHFFFAOYSA-N 254.337 1.926 0 50 CDAA OC[C@@H]1CN(C[C@H]2CCC3(CCCCCC3)O2)C[C@@H]1CO 931560293 PGSHOGOIKUNMCG-OWCLPIDISA-N 297.439 1.791 0 50 CDAA O=C(O)C[C@@H]1Cn2nc(-c3ccccc3)cc2NC1=O 1857780191 QQMUXABWCLWISZ-SNVBAGLBSA-N 271.276 1.593 0 50 CDAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CCOCC1 4011448 ZXCCYUWGIQEJMH-UHFFFAOYSA-N 264.369 1.997 0 50 CDAA C[C@@H]1CN(C[C@@H](O)Cn2cccn2)c2ccccc21 229862063 MQOUDUWQWXRVHG-CHWSQXEVSA-N 257.337 1.868 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1csc(C2CC2)n1 124323219 WOYOQIWVAMKFJE-MRVPVSSYSA-N 251.355 1.454 0 50 CDAA CCOc1ccccc1CCC(=O)N1CC[C@@H](N)C1 236906927 ZMZAPVYAEIGPKO-CYBMUJFWSA-N 262.353 1.578 0 50 CDAA COc1cc(OC)cc([C@H]2CCN([C@@H](C)C(=O)O)C2)c1 237224847 QWWIEDMQTVGTKV-QWRGUYRKSA-N 279.336 1.966 0 50 CDAA FC(F)(F)c1nnc2ccc(NC[C@@H]3CCCO3)nn12 12879251 CTSXWAPWHUVJTG-ZETCQYMHSA-N 287.245 1.734 0 50 CDAA COCc1nc(C(=O)N2CCCC[C@@H]2C(=O)O)cs1 158488108 PJIZFOCIEUNMLL-SECBINFHSA-N 284.337 1.369 0 50 CDAA C[C@@H]1CNCCN1C(=O)c1ccc2c(c1)OCCCO2 178498262 XQICARFPYOMTHM-LLVKDONJSA-N 276.336 1.282 0 50 CDAA c1ccc(O[C@@H]2CCN(Cc3cnns3)C2)nc1 296798011 OVLJPAMTIFSATP-SNVBAGLBSA-N 262.338 1.586 0 50 CDAA CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2N)C1 408519283 KOYCFHLOCZCNMO-HZSPNIEDSA-N 268.401 1.777 0 50 CDAA O[C@H]1CCC[C@@H]1N1CCN(CCc2ccccc2)CC1 363437764 WOKSUNPBRCARBP-IRXDYDNUSA-N 274.408 1.760 0 50 CDAA O=C(c1ccc(Cl)s1)N1CCO[C@@]2(CCNC2)C1 717490810 BMBQITCUTZETAT-GFCCVEGCSA-N 286.784 1.606 0 50 CDAA C[C@H]1CO[C@H](C)CN1c1nc(=N)[nH]c2c1CCCC2 1875290009 GNILREGTXZJGCA-VHSXEESVSA-N 262.357 1.382 0 50 CDAA CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCNC1)C(=O)O 15446417 GETPKHLMTQAZSX-NXEZZACHSA-N 272.345 1.354 0 50 CDAA CC(C)(C)c1cc(C(=O)N[C@H]2C=CC[C@H](C(=O)O)C2)[nH]n1 2325765503 JPZSXTSOUJHIJU-UWVGGRQHSA-N 291.351 1.856 0 50 CDAA C[C@@]1(CN=c2[nH]c3cccc(F)c3o2)CNCCOC1 2325814000 YHSFCGOHGNKIGQ-AWEZNQCLSA-N 279.315 1.427 0 50 CDAA C=CC(=O)N(CC)CC(=O)N(C)C[C@@H]1CCCCO1 900321074 OIQRVBWYXXGNBA-LBPRGKRZSA-N 268.357 1.048 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1 61884 KTVSQWTTXQPMFE-ZDUSSCGKSA-N 290.319 1.886 0 50 CDAA CS(=O)(=O)Nc1ccccc1C(=O)N1CCCC1 571709 ZUHMXZDSDLGYMS-UHFFFAOYSA-N 268.338 1.294 0 50 CDAA O=C(CS(=O)(=O)Cc1ccccc1)NCc1ccco1 620458 IICPXWNGANONLC-UHFFFAOYSA-N 293.344 1.511 0 50 CDAA COc1cccc(N2C(=O)c3ccncc3C2=O)c1 1075815 INVLJNCSJQLYGT-UHFFFAOYSA-N 254.245 1.891 0 50 CDAA CCCc1nc(C)cc(N2C[C@H]3COC[C@@]3(COC)C2)n1 2356134739 ZVMYUSXFYFDCCU-BBRMVZONSA-N 291.395 1.837 0 50 CDAA CC[C@@H](Oc1cccc(Cl)c1)C(=O)NN1CCOCC1 4749335 PHLZFJUUBRFXOD-CYBMUJFWSA-N 298.770 1.861 0 50 CDAA CCN(Cc1noc(CC(C)C)n1)C(=O)[C@H]1CCOC1 55282920 ZWPBNIOXXXLADW-NSHDSACASA-N 281.356 1.653 0 50 CDAA O=C(O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 100001981 UDUGSHGYQZDWDK-DEKYYXRVSA-N 291.328 1.115 0 50 CDAA Cc1cc(OCCOCCN2CCNCC2)ccc1Cl 20117998 ONCFQAYOFBTUHK-UHFFFAOYSA-N 298.814 1.949 0 50 CDAA O=C(O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100159342 OYRRYCDONHLKGG-UKJIMTQDSA-N 285.299 1.920 0 50 CDAA CC(C)CONC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 135339567 LLIMIBJGPHBTNC-CABZTGNLSA-N 272.370 1.144 0 50 CDAA O=C(O)CC[C@]1(c2ccc(Cl)cc2)NC(=O)NC1=O 59519667 ZTPASOPMPMWFCT-GFCCVEGCSA-N 282.683 1.240 0 50 CDAA O=C(O)c1cc(S(=O)(=O)/N=c2/cccc[nH]2)cs1 16623233 XHXAXHKJOFHWFU-UHFFFAOYSA-N 284.318 1.064 0 50 CDAA c1cncc([C@@H](c2nc(C3CC3)n[nH]2)N2CCOCC2)c1 65504586 IFSGRZBYAQZKTA-ZDUSSCGKSA-N 285.351 1.499 0 50 CDAA Fc1cc(CN=c2[nH]nco2)ccc1OC(F)F 351571058 RNVNHYURHQCIRE-UHFFFAOYSA-N 259.187 1.844 0 50 CDAA Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1cnc(N)nc1 67817386 JXOWHTQIVGQSDI-JTQLQIEISA-N 260.345 1.592 0 50 CDAA C[C@H](Cn1ccnc1)NCc1ccc2nonc2c1 67563161 QFKLWOVHYMYTJF-SNVBAGLBSA-N 257.297 1.598 0 50 CDAA O=C(CS(=O)(=O)C1CC1)N1CCCc2ccccc2C1 333554589 NBMVFAFAUUOSQF-UHFFFAOYSA-N 293.388 1.539 0 50 CDAA CN1CC[C@@H]2OCCN(c3nc4cc(F)ccc4o3)[C@H]2C1 328590770 ZCFCHTKOBYYADL-JSGCOSHPSA-N 291.326 1.876 0 50 CDAA Cn1cnnc1[C@H]1CN(C/C=C/c2ccccc2)CCO1 328655042 XZRZHZMBJYTBOA-SBJJXXPASA-N 284.363 1.902 0 50 CDAA Oc1nccnc1N1CCC[C@H](N[C@@H]2CCCSC2)C1 328646627 STNSZQIBFSABSX-NWDGAFQWSA-N 294.424 1.636 0 50 CDAA CCC[C@H](CCCc1c(O)nc(N)nc1O)C(=O)O 39438674 HRBUOJWEUDYCSY-SSDOTTSWSA-N 269.301 1.294 0 50 CDAA CC[C@@H](NCc1cn(-c2ccccc2C)nn1)[C@H](C)O 449542708 MYFKOPSQDVJLLE-GXTWGEPZSA-N 274.368 1.825 0 50 CDAA O=C(c1cccc(Oc2cnccn2)c1)N1CCNCC1 237885629 RZZWHECBDISXKE-UHFFFAOYSA-N 284.319 1.314 0 50 CDAA COc1ccc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)nn1 365042967 FFDUFUKUIKFUKA-CQSZACIVSA-N 298.346 1.402 0 50 CDAA CCc1csc(CCNC(=O)Cc2cc(C)no2)n1 219772470 MOHNPZHGVFLEAD-UHFFFAOYSA-N 279.365 1.903 0 50 CDAA CCOC(=O)[C@H]1CNCCc2c1[nH]c1ccccc21 71781440 CTOZCCZDPQNZFT-LBPRGKRZSA-N 258.321 1.960 0 50 CDAA CC[C@@H]1CN(CCCN2CCN(C(C)C)CC2)C[C@@H]1O 337313525 HCFBTYSCDLPTLE-CVEARBPZSA-N 283.460 1.105 0 50 CDAA O=C(N1CCC[C@H](OCC2CC2)C1)C1(O)CCC1 377259430 WHOZEDBPRQLREE-LBPRGKRZSA-N 253.342 1.319 0 50 CDAA CCc1cc(C(=O)N2CCOC[C@H]2C(=O)O)oc1CC 262728142 ACTMDRMIAKANIO-JTQLQIEISA-N 281.308 1.330 0 50 CDAA Cc1c[nH]nc1CN[C@@H]1CCN(C(=O)C2CCCCC2)C1 377770944 CODZVVXTVRRSFJ-CQSZACIVSA-N 290.411 1.989 0 50 CDAA CCOC(=O)CN1CCN(c2ccc(F)cc2)CC1 36276125 CACKSBIPBQOEKJ-UHFFFAOYSA-N 266.316 1.511 0 50 CDAA Cc1cnc2c(Cl)c(C(=O)NCC(F)(F)F)nn2c1 216163502 CZZCDEYVHYJSHV-UHFFFAOYSA-N 292.648 1.983 0 50 CDAA COc1cccc([C@H]2CCN2C(=O)c2ccc(=O)n(C)c2)c1 216348060 QWDXCUVMADJNTN-OAHLLOKOSA-N 298.342 1.981 0 50 CDAA Cn1cc(N2CCN(C(=O)Nc3ccccc3)CC2=O)cn1 175606167 UJKJSXGDWJEVDQ-UHFFFAOYSA-N 299.334 1.301 0 50 CDAA Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1cncc(F)c1 286884451 ONLHVCVQJFHORI-VXGBXAGGSA-N 290.298 1.671 0 50 CDAA CC[C@H](C)[C@H](O)C(=O)N1CCC[C@H]1c1ccc(O)nn1 530078322 FRHVEFCSKMSCNQ-GAFUQQFSSA-N 279.340 1.253 0 50 CDAA CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)O 196109989 FHBCSPANXVQYCP-BDAKNGLRSA-N 288.344 1.125 0 50 CDAA COc1ccccc1OC1CN(C(=O)[C@@H]2CCOC2)C1 82161425 NOZRJDCQWNMSAZ-LLVKDONJSA-N 277.320 1.321 0 50 CDAA COC[C@@H]1CCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 222692042 NKZCRVWVTATIHV-CQSZACIVSA-N 294.370 1.752 0 50 CDAA Cn1ccnc1CN(C(=O)Cc1cccnc1)C1CC1 222412304 PUMAYIJAOVWQLI-UHFFFAOYSA-N 270.336 1.549 0 50 CDAA COc1ccsc1C(=O)N1CCC[C@@H](C)[C@@H]1CN 161697723 SSKSDYPYKHKOND-ZJUUUORDSA-N 268.382 1.956 0 50 CDAA Cc1c(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)ccn1C 426389678 MTVQACZIRGXSKJ-NSHDSACASA-N 273.340 1.471 0 50 CDAA Cc1cnccc1CN(C)C(=O)NCc1nccn1C 426684584 WYYIYGMOZCEJEK-UHFFFAOYSA-N 273.340 1.465 0 50 CDAA Cc1nccn1CCN(C)C(=O)N[C@H](C)c1cnn(C)c1 426667297 BXELCPHGHFNBAL-LLVKDONJSA-N 290.371 1.328 0 50 CDAA CC[C@@H](C)[C@@H](NC(=O)CCc1cc(OC)no1)C(=O)O 223239822 ZJFQNIBNLNYQAO-PRHODGIISA-N 284.312 1.231 0 50 CDAA CCOC(=O)[C@H](F)C1CN(C(=O)c2cccc(OC)c2)C1 294172538 NHCHKXVQODBODS-CYBMUJFWSA-N 295.310 1.668 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Nc1nnc(-c2c(O)nnc3c2-c2ccccc2C3=O)s1 16712369 GJVAHPIITZUQFM-UHFFFAOYSA-N 297.299 1.494 0 50 CDAA COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc(C)c1 19799547 OGRNKPLEHNFREC-UHFFFAOYSA-N 287.315 1.796 0 50 CDAA Cc1[nH]nc2cc(NC(=O)C[C@@H]3CCN(C)C3=O)ccc12 1857527695 HUFABHJSODZVDW-JTQLQIEISA-N 286.335 1.678 0 50 CDAA CC(C)c1cnc(N2C[C@@H]3CCOC[C@]3(CO)C2)nc1 1857668912 OIUDJDCGJQIFOR-DZGCQCFKSA-N 277.368 1.435 0 50 CDAA O=C(O)c1ccccc1CN1C[C@@H]2CCOC[C@]2(CO)C1 1857669121 ATSBVQZUZGQDSI-XJKSGUPXSA-N 291.347 1.216 0 50 CDAA Cc1nc(N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)sc1C 1857681848 OZGJTYUHAYJFEC-BXUZGUMPSA-N 295.408 1.227 0 50 CDAA Cc1cc(C)c(-c2nc([C@@H](C)O)nn2-c2ccnn2C)cn1 1857706299 PNZLWRBVVMPFFY-LLVKDONJSA-N 298.350 1.733 0 50 CDAA C[C@H](NC(=O)CCc1ccc(C(=O)O)cc1)[C@H]1CCOC1 237615386 RMJGDEXAIWBDRF-FZMZJTMJSA-N 291.347 1.859 0 50 CDAA Cc1nc2ccccc2c(C)c1CC(=O)N1CC[C@@H](N)C1 237752693 DDXPRYIGRSQQLF-CYBMUJFWSA-N 283.375 1.954 0 50 CDAA Cc1nc(C)c(C(=O)Nc2ccnc3[nH]cnc23)o1 1875240052 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Cc1ccc(C)c(S(=O)(=O)NCC[C@H]2CCNC2)c1 110797860 ZVPVBJSXOWFXDW-CYBMUJFWSA-N 282.409 1.581 0 50 CDAA Cc1cc(C)c(S(=O)(=O)NCCN(C)C)c(C)c1 6703852 DYGQVDUPKYPXFU-UHFFFAOYSA-N 270.398 1.452 0 50 CDAA CNC[C@H]1CCCN1C(=O)COc1ccccc1OC 237228664 PUZXWGIXWOOYFW-GFCCVEGCSA-N 278.352 1.284 0 50 CDAA C[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2Cl)CCN1 237628399 XIEFHKLFFULDAW-QWRGUYRKSA-N 282.771 1.928 0 50 CDAA O=C(O)[C@H]1CN(C(=O)[C@H]2CCCCO2)c2ccccc21 131982034 HJHIVEKLUFZVMQ-WCQYABFASA-N 275.304 1.771 0 50 CDAA COC(=O)[C@@H](C)CS(=O)(=O)N(C)[C@@H](C)C1(C)CC1 152222208 UCWCKKKOYZISIS-UWVGGRQHSA-N 277.386 1.246 0 50 CDAA CCc1ccccc1S(=O)(=O)N(C)CCC(=O)O 262323408 CWELMOFJCMJVGJ-UHFFFAOYSA-N 271.338 1.344 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccc(C(F)(F)F)cc1 169980078 RHWYMBSUAYBMLS-UHFFFAOYSA-N 290.090 1.959 0 50 CDAA Cc1nc(CN(C)C(=O)[C@@H]2CCc3nn[nH]c3C2)cs1 328929695 HETDYHVVBSVFDJ-SECBINFHSA-N 291.380 1.333 0 50 CDAA Oc1nc2ccc(-c3noc(CC[C@H]4CCNC4)n3)cc2[nH]1 843188266 UJPVVXPQMUKVNS-VIFPVBQESA-N 299.334 1.861 0 50 CDAA CC(C)OC12CC(C1)N(C(=O)C1(C)CCN(C)CC1)C2 2325803799 BWZDEPOWDXSXCK-UHFFFAOYSA-N 280.412 1.887 0 50 CDAA CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 67828 FLTGILXVJHSPPS-UHFFFAOYSA-N 286.331 1.541 0 50 CDAA O=C(Oc1ccccn1)[C@@H]1COc2ccccc2O1 375770 YVWXZWVXWWUPCS-LBPRGKRZSA-N 257.245 1.827 0 50 CDAA Nc1ncc(-c2ccccc2)c(SCC(=O)O)n1 392493 YFRVLPDWULFMAU-UHFFFAOYSA-N 261.306 1.903 0 50 CDAA COc1ccc(C)cc1S(=O)(=O)NCc1ccncc1 615605 HSRUBLPYPXLMLE-UHFFFAOYSA-N 292.360 1.877 0 50 CDAA COc1cccc(C(=S)N2CCOCC2)c1OC 616672 QIRQJTBIJUUVNB-UHFFFAOYSA-N 267.350 1.712 0 50 CDAA CC(C)(C)CC(=O)NC(=S)NC[C@H]1CCCO1 1783149 PPWUHNLKQFAMAM-SECBINFHSA-N 258.387 1.592 0 50 CDAA CCN1C(=O)c2cccc3c(S(N)(=O)=O)ccc1c23 1926192 BZXBVZNWUAGBMW-UHFFFAOYSA-N 276.317 1.467 0 50 CDAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1n[nH]c2c1CCC2 2356168423 CNNHTSRKLFVENU-KYZUINATSA-N 277.324 1.272 0 50 CDAA CCCSC(=S)N[C@@H]1CCS(=O)(=O)C1 4304461 JJBRKDPOXLAAGG-SSDOTTSWSA-N 253.414 1.191 0 50 CDAA O=C(O)c1cc(=O)[nH]c2ccc(Br)cc12 4353787 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Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccccc1 36357827 ZDXOCPZAUKUBAX-UHFFFAOYSA-N 277.287 1.737 0 50 CDAA Cn1ccnc1-c1cccc(NC(=O)c2cccc[n+]2[O-])c1 363216013 XNRCOVCSMWETJC-UHFFFAOYSA-N 294.314 1.973 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)CC(C)(F)F)C1 284560703 JBUYBXZTYWEAOI-SFYZADRCSA-N 274.271 1.138 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2cccnc2)n1 331985586 YSPSNCQPOWUMOZ-MFKMUULPSA-N 274.324 1.735 0 50 CDAA COC(=O)/C(=C\N(C)C)NC(=O)c1cccs1 34914130 WYRBTXFWPVYSKA-BQYQJAHWSA-N 254.311 1.054 0 50 CDAA OC[C@@H]1[C@H]2CN(Cc3ccc(Oc4cnccn4)cc3)C[C@H]21 367827019 DIWARVXUIGDNHN-ZSHCYNCHSA-N 297.358 1.939 0 50 CDAA Cc1cccc2c(CC(=O)N3C[C@@H](F)C[C@H]3CO)c[nH]c12 334187252 GWYZRRVABWAEDU-STQMWFEESA-N 290.338 1.950 0 50 CDAA NC[C@@H]1CCCCN1C(=O)CCc1nc2cccnc2[nH]1 237828481 PEEHQUKHDPGIQP-NSHDSACASA-N 287.367 1.230 0 50 CDAA COc1ccc(F)c(F)c1CN1CCO[C@H](CCO)C1 216118707 NZLPEYMGTMNMCZ-SNVBAGLBSA-N 287.306 1.557 0 50 CDAA C[C@H](c1ccncn1)N(C)Cc1cn[nH]c1C(=O)O 215534774 SLBIGNCRIHGVFT-MRVPVSSYSA-N 261.285 1.091 0 50 CDAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccn(C)n1 335463325 QOEZJLSSNSEGTE-ZDUSSCGKSA-N 291.376 1.694 0 50 CDAA O=C(NC1CCN(Cc2ccncc2)CC1)c1cn[nH]c1 215108141 RUAZJMIVGAJAIK-UHFFFAOYSA-N 285.351 1.199 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 217347579 JBIMAHPIXSSPOO-FJJYHAOUSA-N 271.272 1.058 0 50 CDAA Cc1cc[nH]c1C(=O)N1CCSC[C@H]1c1cnn(C)c1 335699993 KVELXPLDINPKPS-LBPRGKRZSA-N 290.392 1.987 0 50 CDAA CC(C)(C)c1cc(CNC(=O)C(=O)c2ccco2)[nH]n1 215738227 PNFRAGHCQIQFOB-UHFFFAOYSA-N 275.308 1.799 0 50 CDAA C[C@@H]1CCO[C@@H]1C(=O)NCCc1cn2c(n1)CCCC2 157655383 SWJMXVFADGGJEQ-RISCZKNCSA-N 277.368 1.303 0 50 CDAA Cn1nnnc1CN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 377155973 WDICSUZNZLANTI-ILXRZTDVSA-N 299.378 1.215 0 50 CDAA C[C@@H]1CN(C(=O)NCC(=O)NC(C)(C)C)C[C@H](C2CC2)O1 239591293 BAOXMXJOVZZOTL-ZYHUDNBSSA-N 297.399 1.110 0 50 CDAA COC(C)(C)C(=O)N(C)c1ccc(OCC(=O)O)cc1 262918125 FBFZUSCBHUZRNQ-UHFFFAOYSA-N 281.308 1.538 0 50 CDAA 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Cc1nc(CN2C[C@@H](Cc3ccccc3)CC2=O)n(C)n1 95498802 ICHOBHFIZXRYRQ-AWEZNQCLSA-N 284.363 1.715 0 50 CDAA CC(=O)c1cnc(NCCSc2cnn[nH]2)nc1C 91966575 IHFFAHHJGUSFCJ-UHFFFAOYSA-N 278.341 1.310 0 50 CDAA CC[C@H](C(=O)NCCc1cccnc1)n1cccn1 91270166 OCYRFFXMNMPGLW-CYBMUJFWSA-N 258.325 1.588 0 50 CDAA Cc1nn(CC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c(C)c1Cl 91745540 RKYWQNROMCWCKB-NEPJUHHUSA-N 296.802 1.349 0 50 CDAA CN1CCCC[C@H]1CCn1ncc(N2CCCC2)cc1=O 95387818 FQVMPFYWBTYTDM-AWEZNQCLSA-N 290.411 1.718 0 50 CDAA O=C(O)c1ccc(OCCNC(=O)[C@@H]2CCCOC2)cc1 538584171 CWBJQBKNHZCWJE-GFCCVEGCSA-N 293.319 1.306 0 50 CDAA O=C1NCCC[C@]12CCN(C1Cc3ccccc3C1)C2 91713418 ZSEBFXMVGPVQJN-QGZVFWFLSA-N 270.376 1.756 0 50 CDAA O=C1CCCN1CC(=O)N1CC[C@@H]1c1ccccc1 95516990 HFXCLDKBYCLUNC-CYBMUJFWSA-N 258.321 1.582 0 50 CDAA Cn1cc(Br)cc1C(=O)Nc1nncn1C 164095558 KBAVVYKUWRKZED-UHFFFAOYSA-N 284.117 1.168 0 50 CDAA CC1=NNC(=O)[C@H]1[C@H](c1ccccc1)[C@H]1C(=O)NN=C1C 245377390 KOLCFQXKOSCDED-ITGUQSILSA-N 284.319 1.014 0 50 CDAA COCCN(C)C(=O)c1cnc(-c2ncccn2)s1 299560122 RRHWLTQDXLTJMA-UHFFFAOYSA-N 278.337 1.319 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)O)C12CCC2 299753453 YHAUXUFQQUXGMG-VPOLOUISSA-N 267.325 1.171 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 299740215 XCAGIQKYGQNJNR-KFWWJZLASA-N 292.354 1.853 0 50 CDAA CN(C)c1nc(CNC(=O)COC[C@@H]2CCCO2)cs1 252488977 JDDGCJFZSSGLRW-NSHDSACASA-N 299.396 1.021 0 50 CDAA Cc1ccn2nc(C(=O)N3C[C@@H]4CCN[C@@H]4C3)cc2c1 534654308 YUCBEXHJMIJLHJ-SMDDNHRTSA-N 270.336 1.077 0 50 CDAA CC(C)[C@H](NC(=O)c1cscn1)c1ncnn1C 534654389 XHUIZNXDOCFUCM-VIFPVBQESA-N 265.342 1.399 0 50 CDAA C[C@H](N=c1nc(N(C)C)[nH]s1)C1CCN(C)CC1 534591707 WICDVJIRJAWVMO-VIFPVBQESA-N 269.418 1.168 0 50 CDAA CCN1CCCC[C@@H]1CNc1nccc(OC)n1 264860841 LWWLTVJMRWSINJ-LLVKDONJSA-N 250.346 1.772 0 50 CDAA COc1ccnc(C(=O)NCC[C@H]2CCOC2)c1 534666881 HRCSGIONLOBELP-JTQLQIEISA-N 250.298 1.247 0 50 CDAA CN(C[C@H]1CCN(C)C1(C)C)C(=O)CCc1cn[nH]c1 299797023 PEUMSQARNVWZCW-CYBMUJFWSA-N 278.400 1.531 0 50 CDAA CCn1ncc(CN(C)S(=O)(=O)N(C)C(C)C)c1C 823603462 OLBNOKYLRHJHAR-UHFFFAOYSA-N 288.417 1.228 0 50 CDAA Cc1nc(CN2CCC[C@@H](CCC(N)=O)C2)n(C)c1C 826835089 WBNRBEZETZZUPK-ZDUSSCGKSA-N 278.400 1.514 0 50 CDAA CN1CCCC[C@H]1Cc1nc(CC(N)=O)nn1C(C)(C)C 826842491 WVXWLBFACPJUBZ-NSHDSACASA-N 293.415 1.088 0 50 CDAA Cc1nc([C@H](C)NC(=O)c2cn(C)c(C)cc2=O)cs1 584900720 VNHQFPLNENJUQD-VIFPVBQESA-N 291.376 1.950 0 50 CDAA CCCc1cnc(NCCN2CCCCC2=O)nc1 670460362 VGVNYVFATOKEAL-UHFFFAOYSA-N 262.357 1.854 0 50 CDAA CSCc1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)o1 670459824 VJUAJZQMZPNIAQ-VIFPVBQESA-N 296.348 1.419 0 50 CDAA CO[C@@H]1CN(Cc2c3c(nn2C)CCCC3)CCO1 685943550 VZBBBMASCKPZMO-AWEZNQCLSA-N 265.357 1.104 0 50 CDAA O=C(N[C@H]1CCCSC1)c1ccc(CO)nc1 1298534647 QBIAYMXXBAOUBZ-NSHDSACASA-N 252.339 1.199 0 50 CDAA CC1=C(c2nc(C(C)(C)C)no2)Cn2nnnc2N1C 952882711 OLHYKEYQYSVMHH-UHFFFAOYSA-N 275.316 1.235 0 50 CDAA CCc1ncc(CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)[nH]1 952884366 ZCGILZQUPPEGOE-NSHDSACASA-N 292.383 1.093 0 50 CDAA Cc1ccnc(-n2cc(S(=O)(=O)NC3(C)CC3)cn2)c1 1875255033 YDLHNKCBACYIEZ-UHFFFAOYSA-N 292.364 1.407 0 50 CDAA CC(C)c1cccc(CNC(=O)[C@@H]2COC(=O)O2)c1 1875293222 HECSQPOYTXJOND-LBPRGKRZSA-N 263.293 1.962 0 50 CDAA Cc1ccn(C[C@@H](C)CNC(=O)/C=C/CN(C)C)n1 1875379879 YSIFUFNNWSIDOM-FYJFLYSWSA-N 264.373 1.062 0 50 CDAA COc1cncc(CNC(=O)Nc2nc(C)c(C)s2)n1 1875313007 VSWYJCFMBQDBQE-UHFFFAOYSA-N 293.352 1.880 0 50 CDAA C=CC(=O)N1CCC(C(=O)NCCn2cccc2)CC1 1875365709 RBJWHIBUWZAXHT-UHFFFAOYSA-N 275.352 1.029 0 50 CDAA Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)N3C)oc1Br 1875329427 VOHTWGQNXYKLTF-DTORHVGOSA-N 299.168 1.879 0 50 CDAA Cn1nccc1C(=O)NCc1ccc(-c2ncon2)cc1 952974025 STIQMNLGMYNKAO-UHFFFAOYSA-N 283.291 1.400 0 50 CDAA CCCn1cc(CNC(=O)c2cc(C)nc(C)n2)cn1 952869601 JZNYBKCAIKIEEG-UHFFFAOYSA-N 273.340 1.630 0 50 CDAA Cc1ccccc1OC[C@@H](O)C(=O)N(C)CC1(C)COC1 952860720 SVKDQODMEBYPFM-CYBMUJFWSA-N 293.363 1.230 0 50 CDAA Fc1cnccc1-c1cn(CCO[C@H]2CCOC2)nn1 899735929 RLKAHWMKXXAUOM-JTQLQIEISA-N 278.287 1.285 0 50 CDAA CN[C@@H]1CCCN(C(=O)CCOc2ccccc2F)C1 133207593 OJGVCZBDYRRWHJ-GFCCVEGCSA-N 280.343 1.805 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)NC[C@H]1CCCCO1 275296854 BHSYVBGCFGEKLV-QWHCGFSZSA-N 292.383 1.314 0 50 CDAA CC(C)n1ccnc1S(=O)(=O)CC[C@H]1CCCO1 276434021 ZECVQBFWJNLTNQ-LLVKDONJSA-N 272.370 1.807 0 50 CDAA CN(CCn1cccn1)c1cc(N2CCCC2)ncn1 277310169 CUGIXGQQHXGTOQ-UHFFFAOYSA-N 272.356 1.410 0 50 CDAA CCc1ccsc1C(=O)O[C@@H](COC)C(=O)OC 170599458 CTPUTGKWRLGOPS-VIFPVBQESA-N 272.322 1.655 0 50 CDAA CN(CC[C@H]1CCCO1)C(=O)CCCn1ccnc1 170604603 GPKOYOCUQJPGDS-CYBMUJFWSA-N 265.357 1.691 0 50 CDAA CC(C)(C)[C@H]1CN(C(=O)Nc2cnns2)CCO1 279648546 WOJYGVHBZZTKOD-MRVPVSSYSA-N 270.358 1.817 0 50 CDAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCC(F)F 279860623 FPOHRODYCBSYTE-QMMMGPOBSA-N 288.298 1.701 0 50 CDAA C[C@H](CNC(=O)[C@H]1COc2ccccc21)CC(=O)O 211759617 BGHUHIQIHNFSFU-ONGXEEELSA-N 263.293 1.390 0 50 CDAA CN(C)c1nc2cc(C(=O)NCc3cncn3C)ccc2o1 585085066 BAAXVWDDMHRMCJ-UHFFFAOYSA-N 299.334 1.557 0 50 CDAA CC1(C)[C@H](C(F)(F)F)CCN1C[C@@H]1CNC(=O)C1 585094336 LAQZRBYQEKJSNF-DTWKUNHWSA-N 264.291 1.785 0 50 CDAA COCCO[C@@H]1CCN(c2noc(C(C)(C)C)n2)C1 302513241 GPFISXOGVHAOGQ-SNVBAGLBSA-N 269.345 1.609 0 50 CDAA CCc1ccccc1S(=O)(=O)NCCc1cn[nH]c1 585139902 KEKPXLLULBNZMN-UHFFFAOYSA-N 279.365 1.493 0 50 CDAA CNc1ccc(C(=O)NCc2cnn(C)c2C)cc1F 585132287 SIJFXVZDIUVGFS-UHFFFAOYSA-N 276.315 1.839 0 50 CDAA COC(=O)[C@@H](Cc1c[nH]c2ccc(F)cc12)NC(C)=O 42684337 RSYLOHPJSHEYDP-CYBMUJFWSA-N 278.283 1.527 0 50 CDAA in-vitro C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccn[nH]2)CC1 187864204 MGCOIQLKXBMXKI-AAEUAGOBSA-N 277.368 1.931 0 50 CDAA CCS(=O)(=O)C1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CC1 408357875 CKNJSHLIZOQQDS-OBJOEFQTSA-N 297.420 1.624 0 50 CDAA O=C(COC1CCNCC1)N1CCCC[C@H]1c1ncc[nH]1 645813318 FGFDELRPFQCPFT-ZDUSSCGKSA-N 292.383 1.232 0 50 CDAA CC[C@@H](N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)OC 192859647 KJXNOLXFPLBOCN-RKDXNWHRSA-N 296.289 1.081 0 50 CDAA COc1ncncc1CN1CCC[C@H]1[C@H]1CCCN1C 648007860 DIQZMHZZPYRCPW-KGLIPLIRSA-N 276.384 1.544 0 50 CDAA Cc1nc([C@H]2CCCN2Cc2nnn(C)n2)cs1 193487775 XNCVYFXHSXWMAH-SNVBAGLBSA-N 264.358 1.312 0 50 CDAA CCCNC(=O)c1ccc(N2CCC(CCN)CC2)nc1 568635104 RNUUGAZGSWXDHX-UHFFFAOYSA-N 290.411 1.787 0 50 CDAA C[C@@H](N)c1ccc(NC(=O)[C@@H]2OCCO[C@@H]2C)cc1 911848219 WFCCVKAPBLIUII-GIPNMCIBSA-N 264.325 1.449 0 50 CDAA C[C@@H]1C(=O)N(C)CCN1C(=O)Cc1nc2ccccc2o1 1506420921 MLGXQZDZIPSUKC-SNVBAGLBSA-N 287.319 1.059 0 50 CDAA Cc1ccc(OC2CN(c3ncnc4n[nH]cc34)C2)cc1 1529119208 DBHIIHZVGBLGLS-UHFFFAOYSA-N 281.319 1.929 0 50 CDAA CO[C@H](C)c1nnc(NC(=O)C2CCOCC2)s1 1529167403 IEVHFTFYPQQNLA-SSDOTTSWSA-N 271.342 1.611 0 50 CDAA Cc1ccsc1-c1nccn1[C@H]1CS(=O)(=O)C[C@@H]1O 214932438 YAUZHPSAAWYQKY-UWVGGRQHSA-N 298.389 1.250 0 50 CDAA CC1CCC(=CC(=O)N2CCO[C@@H](C(=O)O)C2)CC1 236656091 JGKWZJQFHNFONZ-TVKKRMFBSA-N 267.325 1.435 0 50 CDAA COC[C@H]1CC[C@H]1NC(=O)c1ccc(CN(C)C)nc1 1615000915 GTZKADTUYXFBLI-TZMCWYRMSA-N 277.368 1.298 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@H](C)[C@@H](C(=O)O)C2)cc(O)n1 1615629916 RUTZIMPEDLGRAS-ONGXEEELSA-N 292.335 1.703 0 50 CDAA CCc1ccc(NC(=O)N2C[C@H](O)[C@@H](F)C2)cc1 1615697927 LYAVZVPOQSAWPX-RYUDHWBXSA-N 252.289 1.796 0 50 CDAA CCn1ncc2ncn(Cc3cc(C)ns3)c(=O)c21 1641230482 ZMXOIQURNBLFBB-UHFFFAOYSA-N 275.337 1.426 0 50 CDAA CSCC(=O)N1CCC[C@@H](CCC(=O)NC2CC2)C1 11708776 OENHXSIPTNIKBD-NSHDSACASA-N 284.425 1.647 0 50 CDAA Cc1nnc(N2C[C@H](C(=O)N3CCCCC3)CC2=O)s1 1857730238 NQKVPPXSVFZLLX-SNVBAGLBSA-N 294.380 1.212 0 50 CDAA CCN(CC)CC(=O)N1CCO[C@H](Cc2ccccc2)C1 12465406 RSSWVYDTQXTSML-MRXNPFEDSA-N 290.407 1.798 0 50 CDAA O=C(NCCN1CCOCC1)c1c(F)cccc1F 13744411 IYOCYAVDERCMBM-UHFFFAOYSA-N 270.279 1.027 0 50 CDAA Cn1cc(CCN2CCS(=O)(=O)CC2)c2ccccc21 19145154 CUQWPDFBYUBODI-UHFFFAOYSA-N 292.404 1.451 0 50 CDAA Cc1nc(O)cc(CN2CCc3[nH]nc(C4CC4)c3CC2)n1 1857697133 WNJMLISBXYLXNL-UHFFFAOYSA-N 299.378 1.692 0 50 CDAA CCCCn1nc(C)nc1-c1cc2n(n1)CCN(C)C2=O 1857727561 UIDIEMCHURELKH-UHFFFAOYSA-N 288.355 1.336 0 50 CDAA Cc1nc([C@H]2CCc3ncnn3C2)n(Cc2ccccc2)n1 1857674306 CQCRYBWJIWYREI-AWEZNQCLSA-N 294.362 1.956 0 50 CDAA COC(=O)[C@@H](Sc1nnc(O)[nH]1)c1ccsc1 252502144 UMYKZIWMIVHLSY-LURJTMIESA-N 271.323 1.578 0 50 CDAA CN1CCc2cc(-c3nnnn3-c3ccccc3)cnc21 1875249680 PHFNDIAADQPQCP-UHFFFAOYSA-N 278.319 1.717 0 50 CDAA O=C(O)[C@H]1CCN(c2cccc(Br)c2)C1=O 11891062 IATZMARXQCZWSG-VIFPVBQESA-N 284.109 1.887 0 50 CDAA in-vitro Cn1cnc(S(=O)(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c1 333103283 QJDRYRHAWSSZEH-CZXHOFHRSA-N 295.408 1.477 0 50 CDAA Cc1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)ns1 335665308 YKQHYOFINIIFNZ-JOYOIKCWSA-N 279.365 1.239 0 50 CDAA O=C(CCN1C(=O)CCC1=O)Nc1ccc(F)cc1 11637699 MCNFWQSWHABLQZ-UHFFFAOYSA-N 264.256 1.303 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCCN[C@H]1CCc2ncnn2C1 257365870 XMNATQXWAPVZJM-RDBSUJKOSA-N 278.400 1.778 0 50 CDAA O=c1cc(N2CC[C@@]3(CCCOC3)C2)nc2ccccn12 376483552 FGLZVHBYKXTNNF-INIZCTEOSA-N 285.347 1.701 0 50 CDAA C[C@@H]1OC[C@H](NCc2nncn2-c2ccccc2)[C@@H]1C 585117586 MBONKBOJZTUFAQ-DYEKYZERSA-N 272.352 1.780 0 50 CDAA NC(=O)[C@@H]1CCN(C[C@H]2C[C@H]2c2ccc(F)cc2)C1 585140648 HXAPIPIDIYPYEL-BZPMIXESSA-N 262.328 1.736 0 50 CDAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@]1(C)C(=O)O 263367483 AJOBEOWXYPDJDA-MISXGVKJSA-N 285.340 1.036 0 50 CDAA CC1(Cn2cc([C@@H](O)Cc3ccccc3)nn2)COC1 849145955 MRSRYOAKMNUJHG-AWEZNQCLSA-N 273.336 1.591 0 50 CDAA Cc1cnc(CNC(=O)CCNC(=O)OC(C)(C)C)nc1 818028403 NEOWJJCOYASDEQ-UHFFFAOYSA-N 294.355 1.316 0 50 CDAA C[C@@H]1C(=O)N(C)CN1C(=O)c1c[nH]cc1Cc1ccccc1 823704193 LQVXSZLWZKTYRD-GFCCVEGCSA-N 297.358 1.866 0 50 CDAA COCc1csc(C(=O)NC[C@H]2CCN2C)c1 928552516 VILFHEDLGZSOQU-SNVBAGLBSA-N 254.355 1.328 0 50 CDAA CCOc1ccc(N2CCN(CCOC3CC3)CC2)nn1 931072615 KHYGOISPXCBXHF-UHFFFAOYSA-N 292.383 1.176 0 50 CDAA CC1(C)[C@H]2CC[C@]13CS(=O)(=O)[N@@]1O[C@]13C2(Cl)Cl 1857777583 HAMBQYFZDBYWHU-FIIPPMMWSA-N 298.191 1.883 0 50 CDAA OCC1(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)COC1 384487875 JCFHIXFRVYZFHA-BFHYXJOUSA-N 269.385 1.011 0 50 CDAA CCOC(=O)CN1N[C@](CC)(c2ccccc2)NC1=S 53454 GOIWZLDCCBHCSA-CQSZACIVSA-N 293.392 1.507 0 50 CDAA O=C(Cc1noc2ccccc12)N1CC[C@H]2CNC[C@H]21 36236863 JUODWYKMEPBYTK-GXFFZTMASA-N 271.320 1.191 0 50 CDAA Cc1cc(O)c(NC(=O)C[C@@H](O)CN)cc1Cl 2325778746 MZRNIPLCMHMKSS-SSDOTTSWSA-N 258.705 1.002 0 50 CDAA COCc1nnc(NC(=O)c2cccnc2)s1 381914 VHCBGIKLOZGGNV-UHFFFAOYSA-N 250.283 1.332 0 50 CDAA CCCCN(CC)C(=O)CN1C(=O)c2ccccc2C1=O 1795898 YNTAZECPJDMLFK-UHFFFAOYSA-N 288.347 1.931 0 50 CDAA COC(=O)c1ccc(NC(=S)NCCCN(C)C)cc1 2211962 DYALFZWPHUNHCM-UHFFFAOYSA-N 295.408 1.711 0 50 CDAA CCOC(=O)[C@@H]1CN(C(=O)c2ccccc2)CCC1=O 2575254 PVXIEUAIMGNDDW-GFCCVEGCSA-N 275.304 1.281 0 50 CDAA COc1ccc(N2C[C@H](C(=O)NCC(C)C)CC2=O)cc1 2997779 ZBGHRUNJWVUIMN-GFCCVEGCSA-N 290.363 1.820 0 50 CDAA O=C(CCc1ccccn1)N1CCC[C@@]12CCCNC2=O 2356170248 AICOABCPSQXRQD-MRXNPFEDSA-N 287.363 1.285 0 50 CDAA Cc1cc2c(cc1C)[C@H](C(=O)NCC1(N(C)C)CC1)CO2 416310365 ZONNANYEWOUJIM-CQSZACIVSA-N 288.391 1.990 0 50 CDAA c1ccc(-c2nnc3sc(-c4csnn4)nn23)nc1 61718706 QWWQTTXQFWRVQV-UHFFFAOYSA-N 287.333 1.766 0 50 CDAA CCN1C[C@H](C(=O)NCc2ccc(SC)cc2)CC1=O 56998991 NYHOBORLKNPKCZ-GFCCVEGCSA-N 292.404 1.893 0 50 CDAA Nc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)CC(=O)N2 9138166 UDTFEFBNTGRHRZ-ZETCQYMHSA-N 290.710 1.480 0 50 CDAA COC(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1 20783911 LPDJVNFTBGTQCQ-AWEZNQCLSA-N 290.363 1.574 0 50 CDAA COc1ccc(NC(=O)CCNC(=O)C(C)C)cc1 65365072 JWHKBNQOZABTOE-UHFFFAOYSA-N 264.325 1.796 0 50 CDAA O=C(NCCc1nccs1)c1ncc(F)cc1F 20324178 BTKKFRCHQZOMGW-UHFFFAOYSA-N 269.276 1.789 0 50 CDAA CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1O2 365076389 GNXUUSQBMXGYIO-SLVJWFQDSA-N 253.342 1.220 0 50 CDAA Cc1nn(C)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)O 128212246 QTWILOLIZPDDTK-VIFPVBQESA-N 269.301 1.379 0 50 CDAA O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccsn1 333683313 LORVYCVIGDWZKW-GXSJLCMTSA-N 252.339 1.831 0 50 CDAA CCc1ccc(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c(O)c1 332498866 YWTFLXLXHRLJLA-CHWSQXEVSA-N 263.337 1.844 0 50 CDAA N=C(O)c1cnn2c1CC[C@H](CN[C@@H]1CCSC1)C2 328626041 DTEQOXZNYGKXKC-NXEZZACHSA-N 280.397 1.424 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 63276 CGPHGPCHVUSFFA-NSHDSACASA-N 269.322 1.233 0 50 CDAA biogenic,in-vitro O=C(O)[C@@H]1CS[C@@H](C(=O)O)CC(c2ccccc2)=N1 187362 CNFDHDGTMZDLAH-WDEREUQCSA-N 279.317 1.519 0 50 CDAA biogenic C[C@@H]1OCC[C@@H]1S(=O)(=O)Cc1ncc(C2CC2)o1 328812199 BIVKOVYLRHXQMZ-KWQFWETISA-N 271.338 1.644 0 50 CDAA Cc1cc(CNC(=O)C(=O)N2CCCC2)ccc1F 283346010 WZNSFGLURVEPPF-UHFFFAOYSA-N 264.300 1.373 0 50 CDAA Cc1cc(F)cc(C(=O)N(C)C[C@H](C)c2nnn[nH]2)c1 123951372 QOCBKNRZSQYQKS-VIFPVBQESA-N 277.303 1.523 0 50 CDAA O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCc2cnccc21 333218340 VWMBYFMVLQSHMF-SUNKGSAMSA-N 278.377 1.963 0 50 CDAA CO[C@H]1CCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 332765163 LKCCWFGALVPUPN-UGQVUOCMSA-N 289.375 1.966 0 50 CDAA CC[C@@H]1CN(C(=O)NCc2snnc2C)C[C@@H](CC)O1 333496145 HIJBQOKGHGOZPT-GHMZBOCLSA-N 298.412 1.946 0 50 CDAA NC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 30714516 KYJCXQATHSBDPJ-CQSZACIVSA-N 259.353 1.363 0 50 CDAA O=C(CCc1nc[nH]n1)NC1CCC(F)(F)CC1 330504396 HMCNYRYULLSKKR-UHFFFAOYSA-N 258.272 1.431 0 50 CDAA O=C(Nc1cnn(Cc2ccncc2)c1)[C@@H]1C[C@@]12CCOC2 363795378 GFLSSBGIEJDVQC-GOEBONIOSA-N 298.346 1.692 0 50 CDAA CC(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)CCO1 39172602 IYDYAXXGLUZOJN-CQSZACIVSA-N 266.316 1.163 0 50 CDAA O=C1NCCc2c1ccc(NC(=O)N1CCCC1)c2F 285074624 XETJBGGIHPRBJZ-UHFFFAOYSA-N 277.299 1.739 0 50 CDAA CC(C)OC[C@@H]1CN(Cc2cnc3[nH]ccnc2-3)CCO1 368215489 MMDCDTCHVAXAFJ-ZDUSSCGKSA-N 290.367 1.535 0 50 CDAA Cc1cc(NC(=O)COc2c(C)nn(C)c2C)no1 157010862 KNFXGWTUVKLTRR-UHFFFAOYSA-N 264.285 1.351 0 50 CDAA CCn1ccnc1CN(C)Cc1c(C)nn(CCO)c1C 215320854 CTXWEVICWDYYPZ-UHFFFAOYSA-N 291.399 1.341 0 50 CDAA CCCNCc1nc(-c2cccc(C(N)=O)c2)no1 34925180 SSRBVENDMFAUHG-UHFFFAOYSA-N 260.297 1.335 0 50 CDAA COc1ccc([C@@H](NC(=O)C2CC=CC2)C(=O)O)cc1 262203552 SNCQBHRPMGGANJ-CYBMUJFWSA-N 275.304 1.903 0 50 CDAA COC[C@@H]1CN(C(=O)c2ccc(O)nc2C)CC(C)(C)O1 285546892 QJGUHFIXUYJUBF-NSHDSACASA-N 294.351 1.362 0 50 CDAA CC1(C)NC(=O)N(CCN2CC[C@H](c3ccco3)C2)C1=O 374004026 UBRJXERIOMDKEO-NSHDSACASA-N 291.351 1.399 0 50 CDAA CC(C)Oc1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1 285685972 VCKIHJNEKRGSNR-HUUCEWRRSA-N 265.353 1.665 0 50 CDAA Cc1nnc(-c2ccc(C(=O)N3CCC[C@H](N)C3)cc2)[nH]1 158380136 WKQAJKSGRDJSHE-ZDUSSCGKSA-N 285.351 1.343 0 50 CDAA CC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 241439858 NMXMATKTBOXEKV-JRPNMDOOSA-N 295.383 1.402 0 50 CDAA Cc1c(Cl)ccc(S(=O)(=O)NC[C@H](C)O)c1Cl 36636431 ZPNCCCNZGHNCNY-LURJTMIESA-N 298.191 1.961 0 50 CDAA CCN(C)C(=O)[C@H](C)Nc1ccnc2c1cnn2C 287762107 NFUQONYUKOTSLC-VIFPVBQESA-N 261.329 1.247 0 50 CDAA O=C(c1ccnnc1)N1CCCC[C@H]1CCn1cccn1 221288831 JNXVZPGZZHASNM-AWEZNQCLSA-N 285.351 1.758 0 50 CDAA C[C@H]1SCCN(C(=O)CCc2cncnc2)[C@@H]1C 292819252 OIYSFOKCDCGWAG-GHMZBOCLSA-N 265.382 1.762 0 50 CDAA CCOC(=O)Cc1nc(N)sc1C(=O)OCC 45922740 AOTIWZHONHECSJ-UHFFFAOYSA-N 258.299 1.008 0 50 CDAA CNC(=O)[C@@]1(C)CCN(C(=O)c2onc3c2CCCC3)C1 614363059 SZKIUHCZFKUNNM-HNNXBMFYSA-N 291.351 1.152 0 50 CDAA CSCC(=O)NCCc1nc(Cc2ccccc2)no1 223099343 KCEGEAKDABDXMM-UHFFFAOYSA-N 291.376 1.682 0 50 CDAA NC[C@@H]1CCN(C(=O)COCc2ccccc2Cl)C1 178518294 YCVCHFQSXGLXNH-NSHDSACASA-N 282.771 1.664 0 50 CDAA Cc1ncsc1CCC(=O)N1CCCC[C@H]1C(=O)O 426538400 PFMCUTVKGOFJIR-JTQLQIEISA-N 282.365 1.850 0 50 CDAA Cc1cc(CN(C)C(=O)CN(C)Cc2ccncc2)no1 223433221 BWATVGJVFSCDHT-UHFFFAOYSA-N 288.351 1.468 0 50 CDAA CO[C@@H]1COCC[C@H]1NC(=O)c1ccncc1Cl 220739537 LXROGNZFMRHAAH-GHMZBOCLSA-N 270.716 1.269 0 50 CDAA Cc1cc(=O)c(C(=O)N(C)[C@H](C)c2ccon2)c(C)[nH]1 426589166 XEFFGANTTPADLN-SNVBAGLBSA-N 275.308 1.813 0 50 CDAA O=C(Nc1cccc2c1CCC2)N[C@H]1C=CS(=O)(=O)C1 95521864 CEAVGUQCTNJZHJ-NSHDSACASA-N 292.360 1.608 0 50 CDAA O=C(c1ccc[nH]1)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 95518970 SEQWWNBFFUOPEP-CXAGYDPISA-N 298.342 1.625 0 50 CDAA Cc1cc(CN(C)Cc2cnn(CCC(=O)O)c2)[nH]n1 97601031 FRRCWFVEUONURN-UHFFFAOYSA-N 277.328 1.021 0 50 CDAA Cn1cc(CCC(=O)N2CCC[C@]3(CCCO3)CC2)cn1 97657069 OOAGVIPKBQQZHU-INIZCTEOSA-N 291.395 1.914 0 50 CDAA Cc1cnc(CNC(=O)Nc2cn(C)nc2C)cn1 96165534 PDPADHYLICSKGY-UHFFFAOYSA-N 260.301 1.149 0 50 CDAA CCc1cc(-c2nc(-c3ccncc3)nn2CCO)ccn1 96138922 OLNLCOPEKNKXQY-UHFFFAOYSA-N 295.346 1.957 0 50 CDAA CC(C)(C)OC(=O)N1CCCC[C@@]12CNC(=O)C2 91304188 UDYQKDLGHFIANF-CYBMUJFWSA-N 254.330 1.666 0 50 CDAA CN(CC1CCOCC1)[C@@H](C(=O)O)c1ccc(CO)cc1 95370803 AZBHDANJRBAASN-OAHLLOKOSA-N 293.363 1.663 0 50 CDAA CC(C)Nc1ncc(C(=O)NCC2(O)CCCCC2)cn1 97117621 YKNWQKPVWPLISF-UHFFFAOYSA-N 292.383 1.722 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)c1cncnc1C1CC1 622530051 MIJITIKYVSMFKD-NSHDSACASA-N 297.362 1.543 0 50 CDAA C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC(O)CC1 245397836 QOZAEMIGMVNJAI-CXTNEJHOSA-N 282.428 1.773 0 50 CDAA CC[C@H](NC(=O)Cc1c(C)n[nH]c1C)[C@H]1C[C@H](O)C1 244748858 OPSMIONKLNQJJI-GVXVVHGQSA-N 265.357 1.235 0 50 CDAA Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3C[C@H]3C(=O)O)c12 299747426 CYMAQEGQMFOROU-VXGBXAGGSA-N 286.331 1.856 0 50 CDAA C[C@H](O)Cn1cc(C(=O)c2ccc(C(F)(F)F)cc2)nn1 864627593 OYZVNLQTGYNBIB-QMMMGPOBSA-N 299.252 1.909 0 50 CDAA CNC(=O)c1cccnc1NCC[C@H]1CCCOC1 528075705 ZJMRJPOJNJXELW-LLVKDONJSA-N 263.341 1.670 0 50 CDAA CCc1ccc(C(=O)N[C@H](CC)[C@H]2C[C@H](O)C2)[nH]1 252536276 IAUFJYBHXPTQNV-YUSALJHKSA-N 250.342 1.856 0 50 CDAA COc1ccc(-c2nccc(=NCC(=O)O)[nH]2)cc1F 534639287 IZPFWPQDSSGECF-UHFFFAOYSA-N 277.255 1.210 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)c1[nH]cnc1C 534653107 UMSMLBGHLRSTGS-SECBINFHSA-N 262.317 1.211 0 50 CDAA Cc1c[nH]c(CNC(=O)[C@@]2(C)CCCCO2)c(C)c1=O 534676899 XXQMPWUMWSRBAC-OAHLLOKOSA-N 278.352 1.567 0 50 CDAA CC(C)(C)OC(=O)N1[C@H](C(=O)O)CO[C@@H]2[C@H]1C2(F)F 380881735 GBBWKZOBCAPOHX-LYFYHCNISA-N 279.239 1.093 0 50 CDAA Cc1ccnn1CCC(=O)N(C)C[C@@H]1CCCCO1 299763116 ZMINRJLUWBSJEW-ZDUSSCGKSA-N 265.357 1.609 0 50 CDAA C[C@H]1Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2NC1=O 394751579 NCJQRPLCUOATGN-SECBINFHSA-N 289.140 1.705 0 50 CDAA CCN(Cc1ccc2c(c1)OCCO2)[C@H]1COC[C@@H]1O 97698641 MLACOVHVJXTYEQ-STQMWFEESA-N 279.336 1.039 0 50 CDAA CCc1ocnc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1OC 299787554 NGCJOTGYMRRGJT-JQWIXIFHSA-N 281.356 1.074 0 50 CDAA Cn1cc(Cl)c(-c2nc(-c3ccco3)nn2CCO)n1 828778247 BGLLHCDPQRFUTQ-UHFFFAOYSA-N 293.714 1.584 0 50 CDAA CS(=O)(=O)N[C@@H](Cn1ccnc1)c1ccccc1 824864417 BOSRGHKTOIXRTN-LBPRGKRZSA-N 265.338 1.174 0 50 CDAA CN(C)c1nc(NCC[C@@H]2CCCCN2C)ncc1F 823777747 NNWHMKWBUSMEDM-NSHDSACASA-N 281.379 1.968 0 50 CDAA CCN(CC)CC1(NC(=O)CCN2C[C@@H]3CC[C@H]2C3)CC1 823076024 KCRBTANRYZUASV-CABCVRRESA-N 293.455 1.851 0 50 CDAA O=C(c1ccc2nc(O)[nH]c2c1)N1Cc2cncnc2C1 1152367729 IBHVAEJQVBRWEF-UHFFFAOYSA-N 281.275 1.215 0 50 CDAA CN(CCN(C)C1CCCC1)C(=O)C[C@H]1CCOC1 584894457 ZUJQOCZXMLZVAE-CYBMUJFWSA-N 268.401 1.746 0 50 CDAA CCO[C@H]1COC[C@@H]1n1cnc2c(C)cc(C)cc2c1=O 584889734 YALOGBSQZDKRBF-KBPBESRZSA-N 288.347 1.990 0 50 CDAA Cc1nonc1CN(C)C[C@H]1CC(=O)N(C2CCCC2)C1 670462186 UFROECLZTWCPSM-GFCCVEGCSA-N 292.383 1.601 0 50 CDAA Cc1cccc(NC(=O)N2C[C@H](O)C[C@]2(C)CO)c1 698199971 RGTKHWYDCANWGB-TZMCWYRMSA-N 264.325 1.345 0 50 CDAA Cc1csc(CN2C[C@H](C)O[C@@]3(CCNC3)C2)n1 952881817 MZRYPVMOLHSCBM-WCQYABFASA-N 267.398 1.404 0 50 CDAA COC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)c1nn[nH]n1 952992860 DHANXXJXXQVKEM-VWYCJHECSA-N 281.360 1.220 0 50 CDAA O=C1CCN(Cc2cncc(Cl)c2)[C@H]2CCCN12 952995686 VIHYZFLHOPQFAQ-GFCCVEGCSA-N 265.744 1.889 0 50 CDAA O=C1C[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1 1875290277 NEHHWCXCPPBEPA-OLZOCXBDSA-N 258.321 1.109 0 50 CDAA O=C(NCc1nc(-c2ccco2)n[nH]1)N1C[C@@H]2C[C@H]1[C@H]1C[C@H]12 1875300951 XGBCVRCBLVAPKO-NAKRPEOUSA-N 299.334 1.615 0 50 CDAA CCc1nsc(N2CCC(c3ncon3)CC2)n1 952988913 PIDNKGBMLNJQJP-UHFFFAOYSA-N 265.342 1.868 0 50 CDAA CNC(=O)c1ccc(N2CCC([C@H]3CCCN3)CC2)nc1 1149389521 WLUPIVSGVGPENA-CQSZACIVSA-N 288.395 1.410 0 50 CDAA CC(=O)c1c(F)cncc1N1CCO[C@H](C(F)F)C1 893707730 CHYPGOBDMVLVRC-JTQLQIEISA-N 274.242 1.894 0 50 CDAA C[C@@]1(C2CCN(Cc3cncnc3)CC2)COC(=O)N1 896459694 NFQWUFTXPTWQFI-AWEZNQCLSA-N 276.340 1.187 0 50 CDAA Cn1cnc(CNC(=O)[C@@H]2CNCC23CCCCC3)c1 1775961377 WKAQBQYKPZSPJH-ZDUSSCGKSA-N 276.384 1.206 0 50 CDAA Cc1ncccc1Cc1noc([C@@H]2CCCc3nn[nH]c32)n1 1775988023 WSUPXCOADLPENH-LLVKDONJSA-N 296.334 1.950 0 50 CDAA Cn1ncc2c(Nc3ccc(CCC(N)=O)cc3)ncnc21 1338462655 YTMMIINWSYJYMC-UHFFFAOYSA-N 296.334 1.525 0 50 CDAA C=CC(=O)NCc1cc2c(cc1OC(F)F)OCO2 1356509294 OXPQDSXPTOGTCM-UHFFFAOYSA-N 271.219 1.819 0 50 CDAA Cc1cnc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)o1 275281908 KMJUEGNVOQEARE-WFASDCNBSA-N 290.367 1.953 0 50 CDAA CC(C)C[C@H](NC(=O)C1CCCC1)c1nn[nH]n1 735769635 IPKAHXGHCBIFFR-JTQLQIEISA-N 251.334 1.593 0 50 CDAA COc1cc(C)cc(NS(=O)(=O)c2cn(C)cn2)c1C 278637472 YUFBMELOTVZHLN-UHFFFAOYSA-N 295.364 1.846 0 50 CDAA O=C(N1CCCC1)[C@]1(O)CCCN(c2ncccc2F)C1 408035581 LSZDBALSVLFHOL-HNNXBMFYSA-N 293.342 1.174 0 50 CDAA C[C@@]1(c2ccccc2)CCN(C(=O)CN2CCNCC2)C1 638026886 RJGBDLQTOFMKQJ-QGZVFWFLSA-N 287.407 1.082 0 50 CDAA Cc1occc1[S@](=O)CC(=O)N1CCC(C)CC1 189650454 ZONYPEICFZFTEJ-GOSISDBHSA-N 269.366 1.954 0 50 CDAA COCc1cccc(-c2cn(CCn3cncn3)nn2)c1 641026716 WJYXRLHAUGIQNQ-UHFFFAOYSA-N 284.323 1.383 0 50 CDAA O=C(NCc1ccccc1F)Nc1cnns1 190797779 AMGCTERYZBSSJQ-UHFFFAOYSA-N 252.274 1.999 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)CCc1cccs1 643847477 HWHJHWRNEODQMA-AWEZNQCLSA-N 297.376 1.773 0 50 CDAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccoc1C1CC1 643938836 YWPOHQYHGQZGJJ-HNNXBMFYSA-N 292.335 1.264 0 50 CDAA CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccco1 191552807 VGPIORBRFDWAFN-UHFFFAOYSA-N 292.360 1.750 0 50 CDAA Oc1nnc(SCCc2ccc3c(c2)CCO3)[nH]1 194633959 ALYFMSCJJBKZME-UHFFFAOYSA-N 263.322 1.780 0 50 CDAA Cc1cccc(C)c1NC(=O)NC[C@H]1COCO1 583650784 BCINLMYBURPRSK-NSHDSACASA-N 250.298 1.798 0 50 CDAA CN(C)c1ncc(CNCCCc2csc(N)n2)cn1 1506397989 QVBOMCWUFYEYIQ-UHFFFAOYSA-N 292.412 1.304 0 50 CDAA CC(C)C(=O)N1CCC[C@@H](Nc2nc(C(=O)O)co2)C1 1506401481 ILRNIZXXTGSFOB-SECBINFHSA-N 281.312 1.432 0 50 CDAA NCC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704299831 KTIGCIUWMMCSAD-UHFFFAOYSA-N 299.374 1.517 0 50 CDAA COc1cccc(CN(CCO)Cc2[nH]cnc2C)c1F 1704334324 HTTYEIKJHHKVRC-UHFFFAOYSA-N 293.342 1.860 0 50 CDAA CCOC[C@@H](O)Cn1nnnc1C=Cc1ccccc1 1857533215 JRSMRUTXNZUPOI-ZDUSSCGKSA-N 274.324 1.241 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1Cl)C2 1704307994 BKWGDTFOZXFNIA-NEPJUHHUSA-N 294.782 1.743 0 50 CDAA CCc1nc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)ncc1C 1704340091 UDPCVFOAIAEXHK-CZUORRHYSA-N 298.390 1.782 0 50 CDAA CC1=CCN(CCNc2ccc(C(=O)O)cn2)CC1 1615045999 PIBSBNXCBHKUPK-UHFFFAOYSA-N 261.325 1.844 0 50 CDAA COC(=O)N1CC[C@@H](NCC2([C@H](O)C(C)C)CC2)C1(C)C 1615587705 JQOKGFUUUOQSIF-CHWSQXEVSA-N 298.427 1.992 0 50 CDAA Cc1cc(CCC(=O)N2C[C@@H](N)C3(CCC3)C2)no1 1615552149 CIWIVYSALUPDHK-GFCCVEGCSA-N 263.341 1.255 0 50 CDAA Cc1nc(N2CC[C@H](O)C2)ccc1Br 223782209 HNPQRZHQNHCEEX-QMMMGPOBSA-N 257.131 1.724 0 50 CDAA CCS(=O)(=O)CCn1nnc(-c2ccc(F)c(C)c2)n1 118176190 YWUUDCFSIOFNLQ-UHFFFAOYSA-N 298.343 1.222 0 50 CDAA CCOC(=O)c1ccc(NC(=O)CSCCO)cc1 5014067 DCRWNTHZEAZWJI-UHFFFAOYSA-N 283.349 1.527 0 50 CDAA Cc1cc(C)c(S(=O)(=O)N(C)C)c(C)c1CC(=O)O 122557656 FTSWCZJBYTUDBN-UHFFFAOYSA-N 285.365 1.489 0 50 CDAA COCC1(NC(=O)[C@@H]2CCCNCC2)CCCC1 662847382 CBWHZJDBDNDAQB-GFCCVEGCSA-N 254.374 1.452 0 50 CDAA Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)CO)CCO1 568899924 UREACFXRJUKAAN-CQSZACIVSA-N 277.364 1.913 0 50 CDAA C[C@@H](CS(C)(=O)=O)N(C)c1nc2c(F)cccc2o1 683748416 BGSZAQKWNWCQSA-QMMMGPOBSA-N 286.328 1.836 0 50 CDAA Cn1nccc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 15069285 CURBTBRBIRDXPO-AWEZNQCLSA-N 285.347 1.504 0 50 CDAA C[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O 15657686 HFJUQSUBZOKELZ-FITDYDNJSA-N 290.315 1.046 0 50 CDAA in-vitro CC(C)(C)c1nc(CN2CCOCC2)ccc1O 19300357 PBCVLDWUVBMURW-UHFFFAOYSA-N 250.342 1.917 0 50 CDAA Cc1ccc(C)c2c1O[C@@]13CCO[C@@H]1[C@H]2NC(=O)N3C 1857533403 ALIGPHKOTSYRNF-LNSITVRQSA-N 274.320 1.877 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N2CC(c3ccncc3)C2)CC[C@H]1O 1857684386 LUUMIXDFAWBSRE-CFVMTHIKSA-N 290.363 1.183 0 50 CDAA CCc1ccc(O)c(NS(=O)(=O)c2c(C)cnn2C)c1 330606236 ZVHXKUYZZXMDCR-UHFFFAOYSA-N 295.364 1.797 0 50 CDAA CCCc1nc(NC(=O)Cn2nc3ccccc3n2)n[nH]1 1875243513 JXLSVMSHCITZMN-UHFFFAOYSA-N 285.311 1.141 0 50 CDAA c1c[nH]c(-c2nccn2[C@H]2COC3(CCNCC3)C2)n1 1875240905 KKCLLGYNALZESF-LLVKDONJSA-N 273.340 1.357 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCc1ccccc1 100614588 ZPHBCOITRGMVGO-XQLPTFJDSA-N 285.343 1.868 0 50 CDAA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)cc1 2473888 FZELDDAQGDMDHV-NSHDSACASA-N 278.333 1.358 0 50 CDAA CC(C)OCCC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 328627586 MYJDEBSIUXSJRM-GFCCVEGCSA-N 280.372 1.040 0 50 CDAA CO[C@@H]1CC[C@H](NC(=O)c2cccc(C(=O)O)c2)C1 234940061 IBJKVTHUSXLDOU-NWDGAFQWSA-N 263.293 1.682 0 50 CDAA CC(C)CC1(C(=O)N2CCO[C@@H](C(=O)O)C2)CCC1 236663770 ZAVCMLFEPSDPDA-LLVKDONJSA-N 269.341 1.515 0 50 CDAA Cc1cc(C)cc([C@H](NC(=O)c2ccnn2C)C(=O)O)c1 263152601 UXUVLYPTARXWDK-ZDUSSCGKSA-N 287.319 1.593 0 50 CDAA O=C(c1ccc2nn[nH]c2c1)N1CCC[C@@H]1C1(O)CC1 1772812957 RZVRWHSRJMXHLI-GFCCVEGCSA-N 272.308 1.087 0 50 CDAA Cc1nc(C(=O)N2CCc3occc3[C@H]2C(=O)O)c(C)o1 910206705 WMCBBCUIMAUABJ-LBPRGKRZSA-N 290.275 1.709 0 50 CDAA N[C@H]1CN(C(=O)NCC(F)(F)F)CC12CCC2 1775961931 JDDGUYJHPQVFCW-ZETCQYMHSA-N 251.252 1.072 0 50 CDAA O=C(NOC[C@@H]1CCOC1)[C@H]1CCc2cccnc21 819935029 PGMPRAAQWOKYKQ-PWSUYJOCSA-N 262.309 1.196 0 50 CDAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1cccc(F)c1F 823089413 OLCBUSKCXYQUJD-SSDOTTSWSA-N 293.291 1.449 0 50 CDAA CNC(=O)c1cccc(CN2CCc3nccc(N)c3C2)c1 931511867 CCWUXKZFGZYCPZ-UHFFFAOYSA-N 296.374 1.582 0 50 CDAA C[C@@H]1CCN(C[C@@H](O)COC[C@H]2CCCO2)C[C@H](C)C1 932120762 DPMGURSSNBNWOV-KLHDSHLOSA-N 285.428 1.911 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)Cc1ccncc1 219706285 SXLLBIIFHGOXCA-UHFFFAOYSA-N 272.352 1.713 0 50 CDAA CCc1cc(C(=O)NC2(C(=O)O)CC2)sc1C 203648168 IWPXKCNTUWEPAC-UHFFFAOYSA-N 253.323 1.966 0 50 CDAA Cc1cccc(C(=O)N2CCC[C@](O)(C(N)=O)C2)c1Cl 225487326 MHNJVWBNTBHYAJ-CQSZACIVSA-N 296.754 1.101 0 50 CDAA CC(C)N1CC[C@@H](N(C)CCc2ccccn2)C1=O 120276207 ZGSJDLNATFNSGW-CQSZACIVSA-N 261.369 1.565 0 50 CDAA COC[C@H](O)CN1CCC[C@@H](CN2CCCC[C@H]2C)C1 126867946 MONGLGSQUFTSFX-BZUAXINKSA-N 284.444 1.580 0 50 CDAA CCNC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341385 NXKXDOCUGCJNNL-UHFFFAOYSA-N 278.327 1.814 0 50 CDAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@H](N)C1 237470205 NFDRSTFMVGRXFE-PWSUYJOCSA-N 282.771 1.975 0 50 CDAA Nc1cc(=O)[nH]c(SCC(=O)NC2CCCCCC2)n1 13945890 QJNBVIRBJSVKOF-UHFFFAOYSA-N 296.396 1.283 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@H]1O2 239173720 ONILNZAYAKHDQE-DDHJBXDOSA-N 293.706 1.933 0 50 CDAA COc1ccc(CCN2C[C@@H](C(=O)O)CCC2=O)cc1 51602898 FWXBIYWCOSQKEB-LBPRGKRZSA-N 277.320 1.561 0 50 CDAA COC[C@@H]1CN(Cc2nc(C)ccc2O)CC(C)(C)O1 330529863 MJOWXFPGEREPID-LBPRGKRZSA-N 280.368 1.721 0 50 CDAA O=C(c1cc(O)ccc1F)N1CCC[C@@H](O)CC1 584894727 PXMPIDKRAGETPR-SECBINFHSA-N 253.273 1.518 0 50 CDAA Cc1cccc(CCSc2nnc(CN)n2C)n1 399803055 WYLLRAAHNXNLSN-UHFFFAOYSA-N 263.370 1.312 0 50 CDAA Cn1cnc2nc(=NCCCNc3cccnc3)[nH]cc21 2100554953 JENCKFGRHXSJRW-UHFFFAOYSA-N 283.339 1.094 0 50 CDAA CCc1cnc(NC(=O)[C@H]2CCCC(=O)N2C)s1 906835905 FCEBTUPJWVBGQZ-SECBINFHSA-N 267.354 1.655 0 50 CDAA COc1ccc(C2(CNC(C)=O)CCOCC2)cc1OC 207109 HOTQCBMEHPVNCN-UHFFFAOYSA-N 293.363 1.888 0 50 CDAA biogenic O=C(CSc1nnnn1-c1ccccc1)C1CC1 269293 SVINSXNISFDNHU-UHFFFAOYSA-N 260.322 1.734 0 50 CDAA CCCc1oc(C(=O)O)cc1CN1CCOCC1 528764 YGFYCKVYNCRJHA-UHFFFAOYSA-N 253.298 1.763 0 50 CDAA COc1cc(F)ccc1S(=O)(=O)NCc1cccnc1 836072 RFEPTXXKGBYTIO-UHFFFAOYSA-N 296.323 1.708 0 50 CDAA CC(C)(C)NC(=O)[C@@H]1CC(c2ccccc2O)=NO1 814993 OXMDLZIKTPUUFK-LBPRGKRZSA-N 262.309 1.800 0 50 CDAA CC(=O)Nc1cc(C(=O)O)ccc1N1CCOCC1 874600 RFVGLZKCGGAOQC-UHFFFAOYSA-N 264.281 1.180 0 50 CDAA CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O 1735316 KQGQONPKSKUHHT-AWEZNQCLSA-N 274.320 1.778 0 50 CDAA O=C1NC[C@H]2CN(c3nc(-c4ccccc4)cs3)C[C@@H]12 2356167169 JGXPKYMVBMPXHX-NWDGAFQWSA-N 285.372 1.992 0 50 CDAA CCCCN1C(=O)CC2(Oc3ccccc3O2)C1=O 2814007 BQPNTUXIYOBOQN-UHFFFAOYSA-N 261.277 1.713 0 50 CDAA C[C@@H](C(=O)NC(C)(C)C)N(c1ccccc1)S(C)(=O)=O 2989434 OJUFVMKIAZOPGZ-NSHDSACASA-N 298.408 1.756 0 50 CDAA CC(=O)N1CCN(C(=S)c2ccccc2O)CC1 4387596 NPSAKNJILXXBRE-UHFFFAOYSA-N 264.350 1.232 0 50 CDAA Nc1nnc(CS(=O)(=O)Cc2ccccc2)s1 4943318 VFLUOELDNACNLU-UHFFFAOYSA-N 269.351 1.235 0 50 CDAA O=C(CSC[C@H]1CCCCO1)N=c1cccn[nH]1 346050003 HYMHHHOJAJVWDW-SNVBAGLBSA-N 267.354 1.139 0 50 CDAA CCOC(=O)C1(C(=O)OCC)CCC2(CC1)OCCO2 117187636 BTDNFERLAOCGJH-UHFFFAOYSA-N 286.324 1.416 0 50 CDAA CCO[C@H]1C[C@](O)(CNC(=O)c2cccc(O)n2)C1(C)C 283033953 OTWODOCHZOMDOK-NHYWBVRUSA-N 294.351 1.083 0 50 CDAA CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 9329658 RGMKKWRJRZZDQG-JTQLQIEISA-N 291.332 1.384 0 50 CDAA CCC(CC)NC(=O)C1CCN(S(=O)(=O)CC)CC1 65363599 HCFHYWWVUCWUAM-UHFFFAOYSA-N 290.429 1.353 0 50 CDAA COc1ccc(-n2c(CCn3cccn3)n[nH]c2=O)c(C)c1 65374003 DMIHZKCQXXQODS-UHFFFAOYSA-N 299.334 1.317 0 50 CDAA CNC(=O)[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(C)o1 20542273 MTWOXHMRUFTHQO-KBPBESRZSA-N 292.379 1.799 0 50 CDAA Cc1cc(=O)c(C(=O)N(C)Cc2nc(C(C)C)no2)c[nH]1 20542771 BLUYXAKNHIZOTN-UHFFFAOYSA-N 290.323 1.462 0 50 CDAA Nc1nc(Br)cnc1Br 63772306 ZEDFFSRZLCREEN-UHFFFAOYSA-N 252.897 1.584 0 50 CDAA in-vitro CC(=O)N(C)C1CCN(C[C@@H](C)C(=O)OC(C)(C)C)CC1 252482791 DNXMXTQBDDVLDI-GFCCVEGCSA-N 298.427 1.907 0 50 CDAA C[C@@]1(F)CNCCN(C(=O)c2cc3c(cn2)OCCC3)C1 423675070 DUSNNMNHUDUBHF-OAHLLOKOSA-N 293.342 1.180 0 50 CDAA CN(C)c1ccc(C(=O)NCCCc2ccccn2)cn1 20998200 LOFJTZRKJZTQCT-UHFFFAOYSA-N 284.363 1.905 0 50 CDAA Nc1nnc(CCNC(=O)c2ccccc2Cl)s1 20201194 WQUYYECWSUHRGZ-UHFFFAOYSA-N 282.756 1.746 0 50 CDAA COCCCN(C)CCNC(=O)N(C)Cc1ccccc1 173584666 QHXHHMSEGGIKHB-UHFFFAOYSA-N 293.411 1.796 0 50 CDAA C[C@@H](C(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1)c1cccnc1 328630247 PQTBIKRPPDYBPD-TZMCWYRMSA-N 299.378 1.424 0 50 CDAA CCOc1ccc([C@H](COC)NC(=O)[C@H]2CCOC2)cc1 253416728 KGFDWQFJLHFZKR-ZFWWWQNUSA-N 293.363 1.926 0 50 CDAA O=C(c1cccc2c1OCC2)N1CC[C@]2(CCCNC2)C1 67713613 YSBAOMWKRFJGSI-KRWDZBQOSA-N 286.375 1.837 0 50 CDAA O=C(NCc1nccs1)c1ncn(-c2ccccc2)n1 153721447 FIUSHGYWOLEPQD-UHFFFAOYSA-N 285.332 1.654 0 50 CDAA COc1ccc(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)cc1C 219364249 OJIFPEJIBBHPBC-BZPMIXESSA-N 261.321 1.911 0 50 CDAA Cn1cccc1C(=O)N1CCCN(Cc2cccnc2)CC1 77469907 TWNKYBDQXZFWNC-UHFFFAOYSA-N 298.390 1.768 0 50 CDAA CCNc1ncc(CN(C)CCc2ccccn2)cn1 215095571 XEHYIQQPFVYFMO-UHFFFAOYSA-N 271.368 1.978 0 50 CDAA CN(Cc1nnc[nH]1)C(=O)C[C@@H]1CCOc2ccccc21 174176521 UGQCXPJTXZVTBL-NSHDSACASA-N 286.335 1.720 0 50 CDAA CC[C@H](C)n1nc(C(=O)N=c2nc(C)n(C)[nH]2)cc1C 330670176 LLMQVQACMPTKQJ-QMMMGPOBSA-N 276.344 1.274 0 50 CDAA COc1ccc2nc(C(=O)N3CCNC[C@@H]3C)ccc2c1 125568179 IFSDIMUQELVTFC-NSHDSACASA-N 285.347 1.677 0 50 CDAA CN(CC(=O)O)S(=O)(=O)Cc1ccc(F)c(Cl)c1 261921831 YYXVJHVMEYKMJM-UHFFFAOYSA-N 295.719 1.325 0 50 CDAA CSC[C@@H](C)C(=O)N1CCN(c2ccc(F)cn2)CC1 368596862 WHBZKNVPBPYYPH-LLVKDONJSA-N 297.399 1.868 0 50 CDAA CNC(=O)CC1CCN(C(=O)Cc2ccoc2)CC1 127698985 LKDNDLPZRLACQP-UHFFFAOYSA-N 264.325 1.197 0 50 CDAA CCc1nnc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)o1 72152876 LOPOKJPJZGPQML-NSHDSACASA-N 280.372 1.321 0 50 CDAA C[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)c1nc[nH]n1 176210539 LOGQOWGAKPJRTM-HOTUBEGUSA-N 288.307 1.210 0 50 CDAA Cn1c(C(F)F)nc2cc(C(=O)N3CC[C@H](O)C3)ccc21 336119997 MFADDGVIUFBMSA-VIFPVBQESA-N 295.289 1.718 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ncccc1C 222330560 LAPDCSZKYRYBIG-UNJBNNCHSA-N 276.336 1.170 0 50 CDAA Cc1ncc(C(=O)NCC2CC2)c(O)c1Br 178116155 WTMAUONYTHRLOZ-UHFFFAOYSA-N 285.141 1.998 0 50 CDAA CCOc1c(F)cccc1C(=O)NC[C@H]1CCCN1 178723812 LLGSONCZWQXAES-SNVBAGLBSA-N 266.316 1.706 0 50 CDAA Cn1cc([C@@H](NC(=O)C2CCCC2)C2CC(O)C2)cn1 220481945 XQTJWCDUTANLEK-UBHUBRDASA-N 277.368 1.539 0 50 CDAA COC(=O)N[C@H](C)C(=O)NCCCc1nc(C)cs1 223364744 NOOXEKZTKZHOST-SECBINFHSA-N 285.369 1.245 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CCOc2ccc(CO)cc2C1 426746107 NQUGAQYFJZAIQC-ZDUSSCGKSA-N 291.347 1.327 0 50 CDAA O=C(NCCc1cccnc1)[C@H]1CC[C@@H](C(=O)O)C1 236450020 ITGXZCIILKKWDI-NWDGAFQWSA-N 262.309 1.241 0 50 CDAA CC[C@H](C)[C@H](CO)NC(=O)c1cc(CC(C)C)nn1C 230211941 SHWQQPOMKPDJIA-AAEUAGOBSA-N 281.400 1.755 0 50 CDAA CCCN1C[C@@H](CNC(=O)c2[nH]c(C)nc2C)CC1=O 622109934 HQYVYWSKQLPGPU-LLVKDONJSA-N 278.356 1.015 0 50 CDAA Cc1c(CN(C)Cc2cnn(CCC(=O)O)c2)cnn1C 97657202 HEYOFYYYNLMSEA-UHFFFAOYSA-N 291.355 1.032 0 50 CDAA COCc1cc(NCc2ccccc2-n2cncn2)ncn1 91390660 ZVKMUVIXARMHSY-UHFFFAOYSA-N 296.334 1.816 0 50 CDAA O=C1CCCCN1CCCc1nc([C@H]2CCOC2)no1 96179695 GLUOJFQUGSGWMQ-NSHDSACASA-N 279.340 1.519 0 50 CDAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)N)nn1C 236883572 MAYCAPIWAVUQGF-DGCLKSJQSA-N 278.400 1.885 0 50 CDAA COCc1cc(CNC(=O)[C@@H]2CCCCCN2C)n[nH]1 91289094 PAPALQOJCYFDGF-ZDUSSCGKSA-N 280.372 1.047 0 50 CDAA CC(C)c1ncc(Cl)c(C(=O)N2CC(=O)N[C@@H](C)C2)n1 295795750 AUFQWZOJWIQCTJ-QMMMGPOBSA-N 296.758 1.214 0 50 CDAA CCCN1C[C@@H](CNC(=O)N[C@H]2CC2(C)C)CC1=O 333520540 KOYFFYLFAXFUFZ-MNOVXSKESA-N 267.373 1.343 0 50 CDAA O=C(NCc1nc(C2CC2)n[nH]1)Nc1nccs1 296088581 DZNKCSLQPOVYHG-UHFFFAOYSA-N 264.314 1.460 0 50 CDAA CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]2CCC[C@H]21 246771033 MCKKBZZVIBUJIE-JHJVBQTASA-N 282.409 1.699 0 50 CDAA C[C@H](c1ccc(C#N)cc1)N1CCC([C@H](O)C(N)=O)CC1 299748231 GNHPRALCZDPLNQ-ABAIWWIYSA-N 287.363 1.177 0 50 CDAA CCCn1ncnc1[C@H](C)NC(=O)c1ccncc1F 534643831 YWORNIVURXKTQY-VIFPVBQESA-N 277.303 1.713 0 50 CDAA COCC1(C(=O)NCc2cc(C3CC3)on2)CCC1 534652492 VRGRGHIEEQAMHV-UHFFFAOYSA-N 264.325 1.985 0 50 CDAA CCCn1ccnc1CNC(=O)CN(C)C1CCCC1 534665408 MUGBOZPLKFPKNT-UHFFFAOYSA-N 278.400 1.784 0 50 CDAA CCn1cc(NC(=O)N2CCC[C@@H]2Cn2cccn2)nn1 299792431 FOQWLBCZHWQTST-LLVKDONJSA-N 289.343 1.191 0 50 CDAA CCCCNC(=O)CC1(Cn2cnnn2)CCCCC1 649478259 ABCMETUTGDBYHP-UHFFFAOYSA-N 279.388 1.930 0 50 CDAA O=C(NC1(C(=O)O)CCCC1)c1cnc(O)c(Cl)c1 299761337 VHIKMIRWNIJQSW-UHFFFAOYSA-N 284.699 1.568 0 50 CDAA Cc1cc(CC(=O)N[C@@H](C)Cc2cccc(C)n2)on1 299775273 HRIQFQYCAAFQOB-NSHDSACASA-N 273.336 1.976 0 50 CDAA OCCn1ncnc1CCc1ccccc1Cl 828778255 BWYHFWUKAABWSU-UHFFFAOYSA-N 251.717 1.709 0 50 CDAA CC(C)n1cnnc1[C@H](C)NC(=O)CN1CCCCC1=O 584899682 GRFILUAJTCGURP-NSHDSACASA-N 293.371 1.049 0 50 CDAA CCc1nc(CNC(=O)c2noc(C)c2CO)cs1 823577384 KPIMNTPEYAAOIH-UHFFFAOYSA-N 281.337 1.424 0 50 CDAA CC1(C)C[C@@H](O)CCN(C(=O)CCCc2cn[nH]c2)C1 584892945 STBSPUPOONIEJA-ZDUSSCGKSA-N 279.384 1.742 0 50 CDAA COCC1(CNc2cc(O)nc(=N)[nH]2)CCCC1 584884605 RJIJABXNINILAW-UHFFFAOYSA-N 252.318 1.213 0 50 CDAA Cc1csc(CNC(=O)c2c(C)ncn2C)n1 670444897 VBARMRHAXXLOIB-UHFFFAOYSA-N 250.327 1.423 0 50 CDAA CCCn1cnnc1CN(C)Cc1noc(CC(C)C)n1 670439970 WVUWNSHLBIBBMJ-UHFFFAOYSA-N 292.387 1.902 0 50 CDAA Cc1ncn(CCNC(=O)[C@H]2CCCCCN2C)c1C 670437228 PZMKJRQJKFJJAI-CQSZACIVSA-N 278.400 1.491 0 50 CDAA CNC(=O)C[C@H]1CCN(c2nnc(C(C)C)s2)C1 670447772 YCXLUQQJMJBVJD-SECBINFHSA-N 268.386 1.624 0 50 CDAA C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)O)CCOCC1 685939203 DEIBFKXRYNEZQF-VIFPVBQESA-N 273.329 1.781 0 50 CDAA CCOc1ccccc1C1=CCN(c2nnnn2C)CC1 1875256532 WXGMKOVGUFBCSE-UHFFFAOYSA-N 285.351 1.903 0 50 CDAA CCc1nn(C)c(CC)c1NC(=O)N=c1[nH]occ1C 1875277658 WUTXMLHTHNEPGY-UHFFFAOYSA-N 277.328 1.907 0 50 CDAA 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Cc1nc(C(=O)NC2CCN(CC(F)(F)F)CC2)c[nH]1 264905020 XWUUPMXMDHDMEB-UHFFFAOYSA-N 290.289 1.475 0 50 CDAA C[C@@H](O)c1nnnn1Cc1cc(F)ccc1OC(F)F 853695161 RYNHMAUBCWERDO-ZCFIWIBFSA-N 288.229 1.515 0 50 CDAA CN(C)c1ncc(CN2CCC[C@@H]2C(N)=O)c2ccccc12 930649973 IKGMLGSIICVVHP-OAHLLOKOSA-N 298.390 1.751 0 50 CDAA Cc1cccc([C@H](O)CN[C@@H]2CCO[C@H]2c2cc[nH]n2)c1 931110229 AJVAHOJADMUWSL-FVQBIDKESA-N 287.363 1.871 0 50 CDAA Cc1ccnc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 100547235 RFUMBSXPMHJTPL-DJIHRAIXSA-N 272.304 1.851 0 50 CDAA Cn1ccc(CCN[C@H]2C[C@@H](N)c3ccccc32)n1 227220868 WQOWSBRSMYISFG-CABCVRRESA-N 256.353 1.697 0 50 CDAA CCOC(=O)[C@H](C)N1CCC(N2CCO[C@@H](C)C2)CC1 229781362 CXKWLHUVTJLHIU-STQMWFEESA-N 284.400 1.123 0 50 CDAA N[C@@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 237981617 JEWBOTLXWBWDPL-MRVPVSSYSA-N 289.162 1.932 0 50 CDAA O=C(O)CN(C(=O)[C@H]1CC=CCC1)C1CCOCC1 238102607 BXWPHKVNLMHIJJ-NSHDSACASA-N 267.325 1.435 0 50 CDAA C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 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1.447 0 50 CDAA Cc1cc(NC2CCN(Cc3ccccn3)CC2)nc(N)n1 52407588 PKPOVXNDOMABFS-UHFFFAOYSA-N 298.394 1.839 0 50 CDAA COC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C 22014350 QRPNTBDWQKLOBS-NSHDSACASA-N 280.324 1.690 0 50 CDAA CC(=O)N1CC[C@H](CN(C)C(=O)c2sc(C)nc2C)C1 119945009 GYIVLGGXVPZFCA-GFCCVEGCSA-N 295.408 1.700 0 50 CDAA CCN(CC)C[C@@H](O)CN1CCC[C@@H](c2ccnn2C)C1 229748771 VHTQDULUWSOZAR-HUUCEWRRSA-N 294.443 1.302 0 50 CDAA c1ccc(-n2nccc2[C@H]2NCCc3[nH]cnc32)cc1 65386981 QBHQDVWGUDHWSY-OAHLLOKOSA-N 265.320 1.831 0 50 CDAA C=CC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 328600551 YOCYLXZMKZPXOK-CYBMUJFWSA-N 287.363 1.848 0 50 CDAA Cc1nc(C)n(C2CN(C(=O)[C@]3(C)C[C@H]4CC[C@H]3O4)C2)n1 329475258 BTWNRQUVWREQCR-UMVBOHGHSA-N 290.367 1.236 0 50 CDAA COc1nc(C)ccc1C(=O)NC(C)(C)c1noc(C)n1 330683326 RFYXTRRZKVPXTK-UHFFFAOYSA-N 290.323 1.755 0 50 CDAA CCn1ncnc1CN1CCC[C@H](CN2CCCCC2)C1 216199593 LZZNIWXQRWOCNR-OAHLLOKOSA-N 291.443 1.996 0 50 CDAA COc1cccc([C@@H]2CCCCN2C(=O)CNC(N)=O)c1 77455929 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Cc1nc([C@H]2CCOC2)cc(N(C)Cc2cc[nH]n2)n1 426465183 LZONHFMRLFJCLB-NSHDSACASA-N 273.340 1.648 0 50 CDAA NC[C@@H]1CCN(C(=O)COc2ccccc2Cl)C1 178555845 SXDXRCSLGUSJHY-JTQLQIEISA-N 268.744 1.526 0 50 CDAA C[C@@H](c1nccs1)N(C)C(=O)NCCc1cnc[nH]1 426513723 QOFMVGRURIGENB-VIFPVBQESA-N 279.369 1.811 0 50 CDAA COc1ccc(CN2CC[C@H](OC)C2)cc1C(=O)O 234899101 KWMDYWRSFPUAKK-NSHDSACASA-N 265.309 1.614 0 50 CDAA COCCc1nc(-c2cn(C)nc2C(F)(F)F)no1 293008217 LVTNKZXGHIPHBW-UHFFFAOYSA-N 276.218 1.678 0 50 CDAA N[C@H]1CCCN(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2CC3)C1 333276262 LLZVLIQFBATKAS-XUXIUFHCSA-N 263.385 1.721 0 50 CDAA OCCn1ncnc1Cc1cc(F)cc(Cl)c1 91780803 ABVVQXBYIAADJM-UHFFFAOYSA-N 255.680 1.654 0 50 CDAA CC(C)c1nccn1[C@@H](C)C(=O)NCCc1cnccn1 95368516 YJLWAYMOSAQOCA-LBPRGKRZSA-N 287.367 1.716 0 50 CDAA CN(C)CCN1C[C@H](C(=O)NCC2=CCCCC2)CC1=O 95367379 DGMWDTUFIGLETB-CQSZACIVSA-N 293.411 1.013 0 50 CDAA Cc1cc(C)nc(CCNC(=O)C[C@@H]2CCCOC2)n1 426740377 GDWKGDCOCMQEOX-ZDUSSCGKSA-N 277.368 1.569 0 50 CDAA CSCCCNC1CCN(c2cc(C)nc(N)n2)CC1 95384619 CNWWDROGZKCNGH-UHFFFAOYSA-N 295.456 1.679 0 50 CDAA CC(C)CN1CCN(C(=O)C2CC=CC2)[C@@H](C)C1=O 336547786 QIQOSJMYTHWNQG-LBPRGKRZSA-N 264.369 1.668 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)CCCc1cn[nH]c1 97785546 CRDXRVSIRWSCLK-CYBMUJFWSA-N 264.373 1.333 0 50 CDAA OC[C@H]1CCN(Cc2ccc(F)cc2F)C[C@H]1O 336522443 MXXTYTJZJLKUEV-ZWNOBZJWSA-N 257.280 1.140 0 50 CDAA C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@]1(O)C1CCC1 91663237 GMUJXSKJCWFEHS-WBMJQRKESA-N 291.395 1.362 0 50 CDAA Cn1ccnc1C(=O)N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 244794867 QVIZDXZMBSUQJP-HZSPNIEDSA-N 285.347 1.662 0 50 CDAA C[C@@]1(C(=O)O)[C@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 257372298 SHILXQQNBXOABD-BHTHQVBYSA-N 285.299 1.448 0 50 CDAA Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c(C)o1 363161678 ZZRRAMIRYJYSRM-SNVBAGLBSA-N 264.281 1.173 0 50 CDAA CCc1nccn1CCC(=O)N(C)C[C@H]1CCCCO1 299779288 KMVBAJNDAXUODI-CYBMUJFWSA-N 279.384 1.863 0 50 CDAA Cc1ccccc1CCc1cc(=NC(=O)[C@@H](C)N)[nH][nH]1 568389005 IWZNHKLURFNTCS-LLVKDONJSA-N 272.352 1.211 0 50 CDAA CC[C@@H](O)Cn1nc(COC)nc1C1CCCC1 824490832 SOUXFOCPDNTOAZ-LLVKDONJSA-N 253.346 1.853 0 50 CDAA O=C(N1CCCCC1)N1CCC(N[C@@H]2CCCOC2)CC1 827937590 JYCWTENYFDGJID-OAHLLOKOSA-N 295.427 1.825 0 50 CDAA CN(Cc1nccs1)C(=O)[C@H]1CC(=O)OC12CCCC2 828244541 LMZMGJUEPABLQV-SNVBAGLBSA-N 294.376 1.977 0 50 CDAA C[C@@H]1CCN[C@H](C)[C@H]1NC(=O)C[C@@H](O)c1ccccc1 585136736 QYLBBEAQZSIIMX-NCZKRNLISA-N 276.380 1.613 0 50 CDAA CCCOC[C@@H]1CCN(C(=O)c2c(C)ncnc2C)C1 584894747 OGFWDLTWXDVIQV-CYBMUJFWSA-N 277.368 1.982 0 50 CDAA CN(C)C[C@H]1CCN(C(=O)c2cccc3c2CCC3=O)C1 584902402 GKXYTCFGDXXKOA-GFCCVEGCSA-N 286.375 1.839 0 50 CDAA CC(C)=CCN1CCC2(CC1)CC(=O)NC(=O)C2 670454084 IUXHTDGXLDLZOS-UHFFFAOYSA-N 250.342 1.471 0 50 CDAA O=C(NC[C@H](O)CCC1CC1)c1cc2n(c1)CCOC2 1875299310 HHEOPHPJJPZDSS-CQSZACIVSA-N 278.352 1.299 0 50 CDAA CN(C(=O)Cn1ncc2cccnc21)[C@H]1CCCNCC1 876825270 TWUVKKQOWGDKHO-ZDUSSCGKSA-N 287.367 1.032 0 50 CDAA COC(=O)/C=C/CCNC(=O)c1cc(C(C)(C)C)nn1C 1875311593 GHEKSDPSZUBNDQ-SOFGYWHQSA-N 293.367 1.567 0 50 CDAA O=C(c1cc[nH]c1)N1CCOc2ccccc2[C@@H]1CO 887109459 MCCKXEYDWJFMGN-ZDUSSCGKSA-N 272.304 1.583 0 50 CDAA O=S(=O)(NCc1ccncc1)c1ccccc1F 4414303 GJXDCYILURRVGY-UHFFFAOYSA-N 266.297 1.699 0 50 CDAA CN(C)C[C@]1(O)CCN(c2nc3cccc(F)c3s2)C1 895010291 OGLHFXCGUSRNKM-CQSZACIVSA-N 295.383 1.938 0 50 CDAA Cc1[nH]ncc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 246137384 JVTCCZODVZCLJP-JLLWLGSASA-N 277.324 1.576 0 50 CDAA O=C(N[C@]12CCC[C@H]1NCC2)c1nccc2cccnc12 1775599760 DGJCLVYLFTYXGG-WBMJQRKESA-N 282.347 1.644 0 50 CDAA CC(=O)N1CC[C@@H](NC(=O)c2c(F)ccc3nc[nH]c23)C1 1363485125 LNTJVCZATVJIQH-SECBINFHSA-N 290.298 1.053 0 50 CDAA O=C(N[C@]12CCC[C@H]1CNC2)c1ccc(-c2cnc[nH]2)cc1 1580756793 MDXXGADVXYNSRC-YOEHRIQHSA-N 296.374 1.949 0 50 CDAA CCn1ncc2ncn(C[C@H]3CCCOC3)c(=O)c21 631018761 DTNFRZAZQHCTHV-SNVBAGLBSA-N 262.313 1.040 0 50 CDAA CC(=O)NC(C)(C)c1noc([C@@H](C)c2c(C)n[nH]c2C)n1 186402284 YPKVWSAWBDPBGM-ZETCQYMHSA-N 291.355 1.933 0 50 CDAA CC(C)(C)OC(=O)N1CCn2c(CO)cnc2C1 91304223 IYSZGILROVDDEJ-UHFFFAOYSA-N 253.302 1.126 0 50 CDAA in-vitro CC(C)(C)NC(=O)CNC(=O)c1coc(CC2CC2)n1 170597749 WGYLMDKSKVHNMX-UHFFFAOYSA-N 279.340 1.272 0 50 CDAA CC[C@@H]1C[C@H](C(=O)NCc2nnc(C(C)C)n2C)CCO1 170595020 YNUZMOCAIZWDER-VXGBXAGGSA-N 294.399 1.760 0 50 CDAA CC(C)(C)SCCNC(=O)NC[C@H]1CC[C@@H](O)C1 170608202 GZMHPSWAGSMMNC-WDEREUQCSA-N 274.430 1.978 0 50 CDAA CCOCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O 170611788 NYVQYVATKZOKOT-CQSZACIVSA-N 290.363 1.249 0 50 CDAA COC(=O)[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1C 187897355 AYTJWFPNYOLDMX-JQWIXIFHSA-N 262.309 1.353 0 50 CDAA Cc1nc([C@H]2CCCCN2c2nccn3cnnc23)n[nH]1 408469789 RAROWQLUCNWXRU-SNVBAGLBSA-N 284.327 1.282 0 50 CDAA COc1cc(Cl)ccc1CNC(=O)[C@H]1C[C@H](F)CN1 188535912 FHIGLBDRUJXWCS-WDEREUQCSA-N 286.734 1.665 0 50 CDAA CN1CCN(C(=O)c2ccn(C)n2)C[C@@H]1C(C)(C)C 585126903 KWPWCDAWYUFFCY-GFCCVEGCSA-N 264.373 1.222 0 50 CDAA COC(=O)c1cc(CNC(=O)[C@H](C)OCC(C)C)ccn1 585131576 ZPFWTCAICHYCQS-NSHDSACASA-N 294.351 1.546 0 50 CDAA CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)CCn1cccn1 189047770 HGOGZYYKCNLKNM-OCCSQVGLSA-N 279.384 1.841 0 50 CDAA Cc1cccc2c1OC[C@H](NCc1cn(C)nn1)C2 554982336 LWUXKLMIYLVNAS-GFCCVEGCSA-N 258.325 1.217 0 50 CDAA COCc1cc(N(C)C[C@@H]2CCCN2C)ncn1 562927251 KISZIGCWDVZGRQ-LBPRGKRZSA-N 250.346 1.153 0 50 CDAA CC[C@@H](N)C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1 563098618 ZPKQFXGEIPABOT-SNVBAGLBSA-N 277.303 1.210 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)Cc1cnn2ccccc12 649450831 XVJCBLMAXHQJIV-YRGRVCCFSA-N 299.330 1.341 0 50 CDAA O=C(CCCc1ccc(F)cc1)NCCc1nc(=O)o[nH]1 563395273 SWQUWLOAKHWVSH-UHFFFAOYSA-N 293.298 1.184 0 50 CDAA O=C(c1ccc2nccn2c1)N1CCO[C@@H](C(F)F)C1 194131202 IHXHKZZAVHGPEL-SNVBAGLBSA-N 281.262 1.440 0 50 CDAA COc1cccc(N2CC[C@H](N[C@@H](C)[C@@H](C)O)C2)c1 570156019 VAJPNAVNVOYBEF-XQQFMLRXSA-N 264.369 1.633 0 50 CDAA Cn1ncc2c(N[C@@H]3CCc4ccccc4C3)[nH]c(=N)nc21 572422611 DGYRYCPJMMCYCD-GFCCVEGCSA-N 294.362 1.745 0 50 CDAA C[C@@]1(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)C[C@H]2CC[C@H]1O2 575992223 VGPDGZCRDXVJIU-OSBCOHAKSA-N 279.336 1.408 0 50 CDAA O=C(O)c1cccc(OCCN2CCOC[C@H]2C2CC2)c1 578076434 HZFPVINKLZMDFT-HNNXBMFYSA-N 291.347 1.874 0 50 CDAA O=C(NCc1coc(-c2ccccc2)n1)[C@@H](O)C1CC1 669165442 VPVZFVOHSVKCJW-ZDUSSCGKSA-N 272.304 1.729 0 50 CDAA Cc1nnc(CCNc2cc(C(C)C)nc(N)n2)s1 95391093 MDESGZKIZJRLBD-UHFFFAOYSA-N 278.385 1.997 0 50 CDAA Cn1ncnc1CCNC1CCN(Cc2ccco2)CC1 1506425799 RTKPBKGKDKKWHY-UHFFFAOYSA-N 289.383 1.205 0 50 CDAA CCN1CCCC[C@@H]1CNc1cc(OC)nc(N)n1 1529171936 BAMGUNZWSMUNCA-SNVBAGLBSA-N 265.361 1.354 0 50 CDAA CCC(CC)(CO)CN(C)c1ncc(OC)cn1 1529144032 DJNKECBSDKLDPS-UHFFFAOYSA-N 253.346 1.720 0 50 CDAA Cc1cnc([C@H](C)NC(=O)c2nsnc2C)[nH]1 1857703201 MQCAGZNJBQUMGG-ZETCQYMHSA-N 251.315 1.369 0 50 CDAA CN1C[C@H]2COC[C@@H]1CN(c1ncnc3sccc13)C2 1704314822 VBFCPCBSMHPMRA-MNOVXSKESA-N 290.392 1.458 0 50 CDAA Cc1ncc2c(n1)[C@]1(CCCN(CC(=O)O)C1)CC2 1704314303 XSUORAVZSCNWOM-CQSZACIVSA-N 261.325 1.149 0 50 CDAA CCn1ccc(CN2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704360462 ZWZKLQBQWGJBIN-HZPDHXFCSA-N 292.427 1.182 0 50 CDAA Cc1cccc(CS(=O)(=O)NC[C@H]2CCCO2)c1 16578249 CUEJWCHPPGJWTI-CYBMUJFWSA-N 269.366 1.593 0 50 CDAA CCOc1cccc(CC(=O)N[C@@H]2CCNC23CCC3)n1 1615549092 VDXOMMYJVWXCSQ-CYBMUJFWSA-N 289.379 1.424 0 50 CDAA O=C(NCCc1cn[nH]c1)c1ccc2c(c1)OCO2 216001684 MRPIDWDAXPDHTB-UHFFFAOYSA-N 259.265 1.111 0 50 CDAA CCc1ccnc(C(=O)N2CCC[C@@H]3C[C@@]32C(N)=O)c1 1615605245 JGVRFRUYCLMOIT-ABAIWWIYSA-N 273.336 1.124 0 50 CDAA O=S(=O)(N[C@@H]1[C@H]2COC[C@H]21)[C@H]1C[C@H]1c1ccccc1 1616028898 JMBLOFHKBQWYOK-PDWCTOEPSA-N 279.361 1.107 0 50 CDAA COc1ccc(CCNC(=O)c2cncn2C)cc1 225469941 NPUYFYPDWZBOGE-UHFFFAOYSA-N 259.309 1.401 0 50 CDAA CC(C)[C@H]1CN([C@H]2CCN(C3CCC3)C2=O)CCN1 631824880 STPQMTFGEXXOPV-KGLIPLIRSA-N 265.401 1.070 0 50 CDAA CCC1(CC)[C@@H](N(C)C(=O)CNC2CC2)C[C@H]1OC 236861897 KSZCVJACHFZUQH-QWHCGFSZSA-N 268.401 1.791 0 50 CDAA CNC[C@@H]1CCCN(S(=O)(=O)c2cc(C)oc2C)C1 237207510 DMUWMQRSTIWINP-LBPRGKRZSA-N 286.397 1.517 0 50 CDAA C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC[C@@H](N)C1 237492126 NYMVYTZPSFHQOT-PSASIEDQSA-N 286.734 1.806 0 50 CDAA Fc1ccc2c(c1)CCc1nnc(CCn3cccn3)n1-2 1772806522 AVBGTDMTZDTTSA-UHFFFAOYSA-N 283.310 1.944 0 50 CDAA CN1CC[C@@H]2CN(C(=O)CCC(F)(F)F)C[C@@H]2C1=O 1775978589 ALXBDQLRHZXLFI-BDAKNGLRSA-N 278.274 1.266 0 50 CDAA C[C@]12C[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cc1)C2 1772819239 QXLNAGBAKKQBOR-BXUZGUMPSA-N 279.361 1.572 0 50 CDAA O=C(O)CCn1nnnc1-c1ccc(Cl)cc1 12954850 ZPSSTGDWTACLRV-UHFFFAOYSA-N 252.661 1.468 0 50 CDAA CCN1CCC[C@](C)(CN2CCC(CO)CC2)C1 19642388 OLMDMUBUWKXJLF-HNNXBMFYSA-N 254.418 1.813 0 50 CDAA O=C(NC[C@H]1CC1(F)F)c1cnnn1-c1ccccc1 1857687551 YJNWVAGDSGGBEC-SECBINFHSA-N 278.262 1.652 0 50 CDAA Cc1ccc2nc[nH]c(=NCCCN3CCCC3=O)c2n1 1857709268 OTAQPBVBPTYLIL-UHFFFAOYSA-N 285.351 1.180 0 50 CDAA Cc1nc(CN(C)C(=O)[C@@H]2CCn3nccc3C2)cs1 1857714357 QUQIDQRHZHGGPB-LLVKDONJSA-N 290.392 1.869 0 50 CDAA COc1cccc2ccc(N3CC4(CNC(=O)N4C)C3)nc12 1857728195 RIFMSBNRWABKGB-UHFFFAOYSA-N 298.346 1.457 0 50 CDAA CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ncccc2c1 125918333 FKKCTUVCMAFTJF-OAHLLOKOSA-N 297.358 1.928 0 50 CDAA CN(C)C(=O)COc1ccc(Br)cc1 449484 PWQVGQOGVQYWOC-UHFFFAOYSA-N 258.115 1.916 0 50 CDAA CCOC[C@H](C)N[C@@H](c1nc(C)no1)C1CCOCC1 328618346 DQMSFJNGSGNPJR-GXFFZTMASA-N 283.372 1.860 0 50 CDAA C[C@@H](c1cccnc1)N1CCO[C@H](Cn2ccnn2)C1 639861786 QXPKPPIPABWBLQ-JSGCOSHPSA-N 273.340 1.135 0 50 CDAA CC(C)NCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 659323009 BWSJLSWCVVABKP-DZGCQCFKSA-N 277.368 1.416 0 50 CDAA COC(=O)C1CCN(C(=O)c2cccnc2Cl)CC1 19507481 WEOOJAIFBCTSIS-UHFFFAOYSA-N 282.727 1.760 0 50 CDAA in-vitro CSCC[C@@H](NC(=O)CN1CCCCCC1)C(=O)O 32055549 QWNNVICYPLZRCI-LLVKDONJSA-N 288.413 1.185 0 50 CDAA O=C(O)Cc1ccc(NC(=O)[C@H]2CCCO2)cc1F 263095499 CKNFLPLXPJPEIT-LLVKDONJSA-N 267.256 1.570 0 50 CDAA CCn1[nH]c(C)nc1=NCc1cccc2c1OCC2 902113617 HBRKXYWCXJCZMN-UHFFFAOYSA-N 258.325 1.575 0 50 CDAA CO[C@@H](C)CS(=O)(=O)Nc1cccnc1C1CC1 903681583 KNSIYABNQQEZGC-VIFPVBQESA-N 270.354 1.736 0 50 CDAA O[C@@]1(c2ccc(F)cc2)CCN(c2ccc3nncn3n2)C1 827873337 UGUHRRPXCKHAFY-HNNXBMFYSA-N 299.309 1.361 0 50 CDAA CC(=O)N(C)c1ccc(NC(=O)N2CCOCC2)cc1 31699 SBQCKDAZEABOSG-UHFFFAOYSA-N 277.324 1.533 0 50 CDAA COc1ccc(OC[C@H](O)Cn2nc(C)cc2C)cc1 267554 YHDBGGUPNKTMCZ-CYBMUJFWSA-N 276.336 1.948 0 50 CDAA CN(CCCC(=O)O)C(=O)[C@H]1CC12CCOCC2 237277343 SOFCHKIUOYCJSD-SNVBAGLBSA-N 255.314 1.126 0 50 CDAA NCCCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 37822440 YJNIPSFJTFWNCE-CYBMUJFWSA-N 282.771 1.979 0 50 CDAA CC(=O)Nc1nc(C(=O)N2CC[C@H](O)C2(C)C)cs1 311791307 JGNBEYAXQNVJIO-VIFPVBQESA-N 283.353 1.087 0 50 CDAA Cn1cncc1C(=O)N1CCC(c2cc[nH]n2)CC1 329665362 KLDGTCJGGUKSCA-UHFFFAOYSA-N 259.313 1.163 0 50 CDAA O=C(CCC(F)(F)F)N1CCC[C@H](c2nc[nH]n2)C1 331306844 ZTONWPZJCWRBOK-QMMMGPOBSA-N 276.262 1.853 0 50 CDAA NCc1nc(C(=O)NCc2noc3c2CCCC3)cs1 639033662 ONBWBVCVGNJAEG-UHFFFAOYSA-N 292.364 1.399 0 50 CDAA COc1ccc(CN2CCNC(=O)C[C@H]2C)cc1F 369453109 SIUCBCLRFIQSAZ-SNVBAGLBSA-N 266.316 1.545 0 50 CDAA O=C1OC[C@H]2CN(Cc3ccc4c(c3)CCO4)CCN12 371988807 WFHJATXUOFTDOK-CYBMUJFWSA-N 274.320 1.258 0 50 CDAA C[C@H]1CCOCCN1C(=O)c1ccnc2[nH]cnc12 890528723 RZTJFGIPDWJCHX-VIFPVBQESA-N 260.297 1.209 0 50 CDAA Cn1cnc2nc(-c3cccc(C(N)=O)c3)ncc21 2100484015 ZEHNMBJNGULNNU-UHFFFAOYSA-N 253.265 1.129 0 50 CDAA CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCNC1)C(=O)O 2583451 GETPKHLMTQAZSX-VHSXEESVSA-N 272.345 1.354 0 50 CDAA COC(=O)c1cc(NC(=O)Cn2nccn2)cc2[nH]ccc12 2325744676 SRUBSQBAQYIYGQ-UHFFFAOYSA-N 299.290 1.185 0 50 CDAA Cc1ccoc1CNC(=O)c1sc(CCN)nc1C 2325795386 CSEUYKNUFPIYHT-UHFFFAOYSA-N 279.365 1.784 0 50 CDAA CNC(=O)N(O)[C@H]1N(C)C(=O)N(C2CCCCC2)C1(C)C 1504634 ULFRDZGCCAXYFA-LLVKDONJSA-N 298.387 1.822 0 50 CDAA CC(C)c1nc(NC(=O)COC[C@@H]2CCCO2)no1 2356137560 PQBQDGHBPUIIDV-VIFPVBQESA-N 269.301 1.327 0 50 CDAA Cc1nnc(CN(C)c2c(C)c(C)nc3ccnn23)o1 2356148909 ZOHTVUQCQDPTEK-UHFFFAOYSA-N 272.312 1.674 0 50 CDAA Cc1ccc(N)cc1S(=O)(=O)N1CCCCC1 3885368 UUQUXIXDLSWYTC-UHFFFAOYSA-N 254.355 1.752 0 50 CDAA Nc1cc(O)nc2nnc(SCc3ccccc3)n12 8971850 FIZXFIDTXATGGG-UHFFFAOYSA-N 273.321 1.704 0 50 CDAA CCc1nocc1CN(CCOC)[C@H]1CCOC1 353232645 UKZQLOAQMURBHW-LBPRGKRZSA-N 254.330 1.474 0 50 CDAA O=C(Nc1cccc(Cl)c1)C(=S)N1CCOCC1 20437449 BCTMVIDWBHIERH-UHFFFAOYSA-N 284.768 1.938 0 50 CDAA CC[C@H](C)NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10364004 ANBXGTUCNKGSAS-JTQLQIEISA-N 284.381 1.895 0 50 CDAA CC(C)c1cc(C(=O)NC[C@]2(N(C)C)CCSC2)no1 65488642 FPGNWDCQQMGRAP-CQSZACIVSA-N 297.424 1.965 0 50 CDAA CCN(CC)S(=O)(=O)Cc1ccc(CN)cc1 21038660 BZXVBGYJXXZNOO-UHFFFAOYSA-N 256.371 1.317 0 50 CDAA O=C1CC2(CCN(c3ccc(Cl)cn3)CC2)CN1 65397613 NHRIOGSSSJTFPV-UHFFFAOYSA-N 265.744 1.842 0 50 CDAA CC[C@@H]1CN(C[C@@H](O)c2ccccc2)CCN1C[C@@H](C)O 229377379 FDVMHAJBRCOAMI-DJIMGWMZSA-N 292.423 1.497 0 50 CDAA CSCc1nc(CNC(=O)[C@H]2CCOC2)cs1 67603772 HXXGMSADLYPLJZ-QMMMGPOBSA-N 272.395 1.659 0 50 CDAA CCOc1ccccc1-n1c(-c2ccn(C)n2)n[nH]c1=O 65376114 NEUMPXTWFGWKDJ-UHFFFAOYSA-N 285.307 1.360 0 50 CDAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1Cc1c(C)noc1C 67561743 IVIHEAOGFZTJIJ-OCCSQVGLSA-N 294.399 1.061 0 50 CDAA CN1CCO[C@H](CN(CC(=N)O)Cc2ccsc2)C1 328632972 LQQQAFSJPRWDFO-LBPRGKRZSA-N 283.397 1.416 0 50 CDAA CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)c1ncccc1O 253369246 AFROEJYSXOKYSX-FQKDVGPYSA-N 296.392 1.597 0 50 CDAA Cc1noc(-c2ccc(N3CCC[C@H]3CO)nc2)n1 39430048 GVSVTDXFSFZTAE-NSHDSACASA-N 260.297 1.401 0 50 CDAA COP(O)(=NS(=O)(=O)c1ccccc1)OC 409415866 ZINLGPOCIKCSQU-UHFFFAOYSA-N 265.227 1.607 0 50 CDAA Cc1cc(CN2CC[C@@](O)(c3cn(C(C)C)nn3)C2)on1 284951922 RBTXZEAYWPVICI-AWEZNQCLSA-N 291.355 1.249 0 50 CDAA O=C(O)C1(C(=O)NCCc2cnn(-c3ccccc3)c2)CC1 154771492 ITQXMGDRPPTIFQ-UHFFFAOYSA-N 299.330 1.396 0 50 CDAA Cc1nn(C)c(C)c1OCC(=O)N(C)[C@H]1CCCNCC1 364643355 VEAVAQMWTKXSNU-ZDUSSCGKSA-N 294.399 1.016 0 50 CDAA COCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33088800 LIYFASMFFPKPCG-JTQLQIEISA-N 286.331 1.495 0 50 CDAA Fc1cccc(CN2CCN(C[C@@H]3CCCNC3)CC2)c1 72456776 NJTZOQCMGHOBMH-MRXNPFEDSA-N 291.414 1.943 0 50 CDAA O=C(N1CCC[C@H](CO)C1)C1(C2CC2)CCOCC1 372079061 VRZVQZXHPFJTNP-LBPRGKRZSA-N 267.369 1.424 0 50 CDAA Cc1ccc(C(=O)N2CCN(C(=O)N(C)C)CC2)nc1C 334804551 CGMUAXRMOYQAGB-UHFFFAOYSA-N 290.367 1.138 0 50 CDAA CCN1CCN(CC(=O)N2C[C@H]3CC=CC[C@H]3C2)CC1 73990726 YNTFCWJIXBHXAH-GASCZTMLSA-N 277.412 1.049 0 50 CDAA CNC(=O)Cc1cccc(C(=O)c2ccccc2)c1N 71772194 GAQARSOLIPKSCK-UHFFFAOYSA-N 268.316 1.788 0 50 CDAA FC(F)(F)CN1CC[C@H](N[C@H]2CCN3CCC[C@H]3C2)C1 240471632 GDILOLXJPWOZLM-AVGNSLFASA-N 291.361 1.839 0 50 CDAA CO[C@@H]1CCN(Cc2cnc(N3CCCC3)s2)C1 215789481 RVTBQNCUEDNLHA-LLVKDONJSA-N 267.398 1.964 0 50 CDAA CCc1ccc([C@H](O)CNC2CCS(=O)(=O)CC2)cc1 291062612 DEAIWOVZURCIDC-OAHLLOKOSA-N 297.420 1.449 0 50 CDAA Cc1cn2cc(C(=O)N[C@@H]3CCSC3)ccc2n1 82115563 BLOZGKQSOQBMPN-LLVKDONJSA-N 261.350 1.878 0 50 CDAA CN1C(=O)COc2cc(NC(=O)c3ccnc(O)c3)ccc21 532531907 INTVYVXJLUQQBW-UHFFFAOYSA-N 299.286 1.395 0 50 CDAA CC[C@H](CO)NC(=O)c1ccc2cccc(F)c2n1 82263252 KBEJJPXFGTUVKV-SNVBAGLBSA-N 262.284 1.875 0 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COCC(=O)N[C@H]1CN(Cc2coc(C)n2)C[C@@H]1C(C)C 91713607 SXYGZKSXQODOJS-KGLIPLIRSA-N 295.383 1.202 0 50 CDAA O=C1[C@H]2CC[C@H](CN(Cc3c[nH]cn3)C2)N1CC1CCC1 92061981 POZYJDRCUPUERW-DZGCQCFKSA-N 288.395 1.633 0 50 CDAA NC(=O)c1cc2c(nc1C[C@@H]1CCCCO1)CCC2 91505194 ABUPZZSYFJSRMT-NSHDSACASA-N 260.337 1.781 0 50 CDAA CN(C)C[C@@H]1CN(c2ncnc3sccc23)C[C@@H]1CO 91713084 RJCDIGDQVRIBIT-GHMZBOCLSA-N 292.408 1.298 0 50 CDAA Cc1nc(N2CCN(C)CC2)ccc1Br 95944435 WHSLCLOMSJQONW-UHFFFAOYSA-N 270.174 1.904 0 50 CDAA CCCc1nnc(N2CCC(O)(c3cccnc3)CC2)o1 95354553 IUMVRGQCNLNBGG-UHFFFAOYSA-N 288.351 1.905 0 50 CDAA c1cnc(N2C[C@@H]3CC[C@H](C2)N(Cc2ncc[nH]2)C3)cn1 91351162 DCQMGZMDKAUQMP-CHWSQXEVSA-N 284.367 1.301 0 50 CDAA Cn1cnc(CN[C@@H]2CCCOc3cc(F)ccc32)n1 182177453 SWHKWPJIXPRCRT-GFCCVEGCSA-N 276.315 1.958 0 50 CDAA Nc1cccc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)n1 243893737 ATLZNZNGBUSUTK-UEKVPHQBSA-N 298.346 1.301 0 50 CDAA Cc1nnc(CN(C)CCn2cnc3ccccc32)o1 244734535 NHMDVTNHAZUMAM-UHFFFAOYSA-N 271.324 1.860 0 50 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263.297 1.177 0 50 CDAA CNC(=O)C[C@@H]1CCN(CCc2cccc(C)n2)C1 670450017 HSPCLBYFNTXFMB-ZDUSSCGKSA-N 261.369 1.391 0 50 CDAA Cc1cccn2ncc(C(=O)NCc3cc[nH]n3)c12 1155632621 VLPILYQMWYJHKL-UHFFFAOYSA-N 255.281 1.296 0 50 CDAA CCOC(=O)c1n[nH]c(CC)c1I 685949922 WMFUCJQXJGGCBX-UHFFFAOYSA-N 294.092 1.753 0 50 CDAA Nc1nc(NC[C@@H]2CCCCO2)nc(C(F)F)n1 872423630 ZDBFGYWANNNKTO-LURJTMIESA-N 259.260 1.372 0 50 CDAA CCc1nc(CN[C@@H](C)C2(O)CCOCC2)co1 1875284584 ALIDMPZGVHLHHL-JTQLQIEISA-N 254.330 1.257 0 50 CDAA COCCS(=O)(=O)N1CCC[C@H]1CCc1ccccn1 1875275510 GFTZADDKELKVAN-AWEZNQCLSA-N 298.408 1.455 0 50 CDAA O=C(N=c1nc(C2CC2)[nH]s1)N1CCCCO1 1875267666 VDKIEYNVBFCJRX-UHFFFAOYSA-N 254.315 1.397 0 50 CDAA CNC(=O)c1cc(C)nc2onc(-c3c(C)nn(C)c3C)c12 1875321625 OTQXLWFLHCBNAN-UHFFFAOYSA-N 299.334 1.908 0 50 CDAA COC(=O)/C=C/CNC(=O)c1cc(C2CCC2)on1 1875333136 CPFQJEKHNKUZAC-ZZXKWVIFSA-N 264.281 1.401 0 50 CDAA COC(=O)/C=C/CNC(=O)C1(Cc2ccc(F)cc2)CC1 1875333219 JGKWDDSNJGRLNP-NSCUHMNNSA-N 291.322 1.994 0 50 CDAA CC(C)[C@H](NCCCOCC(F)F)c1nncn1C 888096048 IPFRWUOUYJOJQO-NSHDSACASA-N 276.331 1.774 0 50 CDAA CC[C@H](NC(=O)c1cnn(CCO)c1N)C1CCCCC1 1775997853 NVESQAQSZGXUNP-ZDUSSCGKSA-N 294.399 1.546 0 50 CDAA C=CC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C 1336674915 AFXZQBPFZJKHDF-UHFFFAOYSA-N 274.320 1.592 0 50 CDAA Cc1nc2c([nH]1)CC[C@H](C(=O)NCCc1ccc[nH]1)C2 165420873 CEPYLILORMGJOD-NSHDSACASA-N 272.352 1.510 0 50 CDAA OCCN1CCN(C2C3CC4CC(C3)CC2C4)CC1 19637350 CVEPXVYVNCXUGY-UHFFFAOYSA-N 264.413 1.421 0 50 CDAA CC1(C)[C@H](NC(=O)c2ccc(C(=O)O)o2)[C@H]2CCO[C@H]21 271928657 GWCGTOJHBUFWGY-AVPPRXQKSA-N 279.292 1.521 0 50 CDAA Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](O)C[C@@H]1C 170091070 YZFUQGGLJKOTCG-CMPLNLGQSA-N 287.356 1.668 0 50 CDAA CC(C)Cc1nsc(NC2CCN(CC(N)=O)CC2)n1 170598655 AMRJJHKEFHUKGH-UHFFFAOYSA-N 297.428 1.098 0 50 CDAA C[C@@H]1CC[C@@H](CCC(=O)NCc2nnc(S)n2C)O1 170644170 BLEOZABCANIAHZ-BDAKNGLRSA-N 284.385 1.068 0 50 CDAA COC(=O)c1[nH]c(CN[C@@H](C)[C@H]2CCCO2)cc1C 602511237 OGSQZJVFGRQMMI-CMPLNLGQSA-N 266.341 1.767 0 50 CDAA CC(C)S(=O)(=O)NC(=O)[C@H]1Cc2ccccc21 408490164 ZGNYRSYCHJHZKN-NSHDSACASA-N 253.323 1.181 0 50 CDAA Cc1nc(=NCCC(=O)Nc2ncccc2C)s[nH]1 408522580 BLWZZCGUUBPFAO-UHFFFAOYSA-N 277.353 1.413 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1Cc2c[nH]nc2C1 408522625 KRKXCUGZLWXPSL-LLVKDONJSA-N 292.339 1.261 0 50 CDAA COc1cccc(C(=O)N(CC(F)F)C[C@H](C)O)c1 408520723 ULFJFMCUQAEWFF-VIFPVBQESA-N 273.279 1.783 0 50 CDAA COC(=O)c1cnnc(N2C[C@H](C)O[C@@H](C3CC3)C2)c1 408524225 RGXKUVQUDQTEIN-JOYOIKCWSA-N 277.324 1.267 0 50 CDAA CC(C)C[C@H](CN)CC(=O)OCCOC(=O)N(C)C 408525652 OGWVQECJXXXUPH-NSHDSACASA-N 274.361 1.239 0 50 CDAA C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](CCC(=O)O)C2)O1 222254232 MQYLXZDEMQDZPJ-WOPDTQHZSA-N 269.341 1.657 0 50 CDAA CCCCCOCC(=O)NCc1ccnc(C(=O)OC)c1 585128244 WWCXBBNMXFZKMH-UHFFFAOYSA-N 294.351 1.691 0 50 CDAA CN(C)CCc1cn(Cc2cccc(-n3cccn3)c2)nn1 641039363 CPYAUFKSAIJKRX-UHFFFAOYSA-N 296.378 1.616 0 50 CDAA CC/C=C/CCN1CCC[C@](O)(CC(=O)N(C)C)C1 643812116 HECGRYDWCPBHDC-NFAHFFEMSA-N 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COc1cccc(F)c1C(=O)N[C@H]1C[C@H]2OCC[C@@H]12 1565508466 PVNGPMSDLPOZOZ-PTOFAABTSA-N 265.284 1.742 0 50 CDAA Cc1cc(S(=O)(=O)NCC(F)(F)CO)sc1C 274283677 WWEVALPFELJQAN-UHFFFAOYSA-N 285.337 1.271 0 50 CDAA CCOc1cc(S(=O)(=O)N(C)C)c(C)cc1C 170624001 WVWYALAGOLIHJE-UHFFFAOYSA-N 257.355 1.952 0 50 CDAA C[C@@H](NC(=O)Cn1cc(F)ccc1=O)c1cccs1 170606291 MPMCFSZKNOFKAU-SECBINFHSA-N 280.324 1.926 0 50 CDAA CC(C)(C)OC(=O)N1CCCc2nc(N)ncc21 95635049 HJEYVNMAGFIZOX-UHFFFAOYSA-N 250.302 1.747 0 50 CDAA in-vitro CC(=O)N1C[C@@H](N=c2[nH]nc(C)o2)CC[C@H]1C(F)(F)F 583616691 CROBHHABLYAIDC-IUCAKERBSA-N 292.261 1.154 0 50 CDAA CC1(C)[C@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 408103884 NUGWNFQGSIMRFD-QWRGUYRKSA-N 266.366 1.577 0 50 CDAA CC[C@H]1C(=O)NCCN1Cc1c(Cl)n[nH]c1C 585117212 UXDXZIUHBVNVLP-VIFPVBQESA-N 256.737 1.082 0 50 CDAA CN(CC(C)(C)CN1CCOCC1)C(=O)NCC(F)F 585119319 BWCUWICQUAUKCS-UHFFFAOYSA-N 293.358 1.251 0 50 CDAA C[C@H]1C(=O)N(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C(=O)N1C 585128251 XAIUUGFRCHVFPH-NAKRPEOUSA-N 279.340 1.126 0 50 CDAA C[C@@H]1C[C@@H](N(C)C[C@H](O)CO)CCN1Cc1ccccc1 585116789 IMUABNCEBOZPJN-PVAVHDDUSA-N 292.423 1.325 0 50 CDAA CCN1CCCN(c2ncnc3c2ncn3CC)[C@H](C)C1 408523514 KSBQYSMPGKNDKJ-GFCCVEGCSA-N 288.399 1.767 0 50 CDAA Oc1nnc(O)n1-c1ccc(OCC[C@H]2CCCO2)cc1 408518368 DLIVUDBZYOLNJV-LLVKDONJSA-N 291.307 1.626 0 50 CDAA O=[S@]1CC[C@@H](Nc2ncncc2Br)C1 306760661 QXLGMEDGEUJWGL-RCNPXXIZSA-N 276.159 1.172 0 50 CDAA NCC(F)(F)CNC(=O)[C@H]1C[C@@]12CCc1ccccc12 190256893 QRYWYFDAZRUGHX-TZMCWYRMSA-N 280.318 1.601 0 50 CDAA O=C(c1cnc[nH]1)N1CCN(c2c(F)cccc2F)CC1 648944564 IGSUWIDEZSHWCY-UHFFFAOYSA-N 292.289 1.650 0 50 CDAA Cc1cc(F)cc(C(=O)NC[C@H](C)c2nncn2C)c1 194267487 LPBLITNKRNMYAU-JTQLQIEISA-N 276.315 1.796 0 50 CDAA CCOC(=O)[C@]1(C(C)C)CCN(Cc2nccn2C)C1 194874032 KAYURZQWTIVROX-OAHLLOKOSA-N 279.384 1.831 0 50 CDAA O=C(C[C@@H]1CCOC1)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653334030 WSZHWKCQKDVYLE-BPNCWPANSA-N 289.331 1.842 0 50 CDAA CCc1ccc(O)c(C(=O)N2CC(n3ccnn3)C2)c1 779554081 VAFIPJWGGDEEPD-UHFFFAOYSA-N 272.308 1.243 0 50 CDAA CC(=O)c1ccc(NC(=O)N2CCOC[C@@H](O)C2)cc1 95529982 FITQGGHHGMUZHW-ZDUSSCGKSA-N 278.308 1.114 0 50 CDAA O=C1C[C@H](C(=O)NC2(C(=O)O)CCCC2)C2(CCCC2)O1 1506398390 ZBPWDLAKLWKXDY-SNVBAGLBSA-N 295.335 1.376 0 50 CDAA O=C(c1cc(Cl)ccc1F)N1C[C@H]2[C@@H](O)C[C@H]2C1 1857706978 DVBPSAKCAQKXGN-KOLSJAJHSA-N 269.703 1.932 0 50 CDAA C[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)[C@H]1C(=O)O 300274185 RIAWKBOUZWNOPG-OUAUKWLOSA-N 255.314 1.125 0 50 CDAA CC(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 441390 OZXIYFGFPDSQAR-UHFFFAOYSA-N 256.327 1.319 0 50 CDAA COc1cc2c(cc1CNC(=O)[C@@H]1CC[C@H](N)C1)CCC2 215279274 ILDAAWRFWHLADG-HIFRSBDPSA-N 288.391 1.928 0 50 CDAA CCCC1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCC1 408271160 MMNCNPVNOBIDJS-NSHDSACASA-N 288.413 1.107 0 50 CDAA CC1(C)C[C@H](C(=O)N2CC(OC(F)F)C2)CCO1 1262622127 KVTICTHXOJNTDD-MRVPVSSYSA-N 263.284 1.642 0 50 CDAA CN(Cc1cccnc1)C(=O)[C@@H]1CCCN[C@@H]1C1CC1 1615045130 XRDXCSVTXMHWRP-HUUCEWRRSA-N 273.380 1.818 0 50 CDAA C/C(=C\c1cnc[nH]1)C(=O)N1C[C@@H](C)OC(C)(C)C1 1875335381 GDPIDHNJVIBSHX-IGLBNKAOSA-N 263.341 1.839 0 50 CDAA N=c1ccn(CC(=O)N2CCc3ccccc32)cc1 368130218 JSHNWXKAVVGDBO-UHFFFAOYSA-N 253.305 1.557 0 50 CDAA CNCc1nnc(NC2CCN(c3ccccc3)CC2)o1 1772707203 WVAVDCWCTZKUCN-UHFFFAOYSA-N 287.367 1.870 0 50 CDAA CN(C)CC(=O)N[C@H]1CCCN(C2CCCCCC2)C1 11840358 OFQULTBYJYDJSZ-AWEZNQCLSA-N 281.444 1.851 0 50 CDAA CCOc1ccc(S(=O)(=O)Nc2nnc[nH]2)cc1 15880003 JILSMSZFVTUUHL-UHFFFAOYSA-N 268.298 1.004 0 50 CDAA CNC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 16624467 PPFASMVPOZYTFW-UHFFFAOYSA-N 296.392 1.150 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1cc(Cl)ccc1OC 16651268 WDTYBBQCVXQGPG-SECBINFHSA-N 293.772 1.398 0 50 CDAA O=C(Cc1c(O)[nH]c2ccccc2c1=O)NC1CCCC1 18142816 SXMMZIYVHISMOM-UHFFFAOYSA-N 286.331 1.835 0 50 CDAA CC(C)(O)C(C)(C)OB(O)c1ccc(Cl)cc1 169747325 MTXXHOHIVHQVKP-UHFFFAOYSA-N 256.538 1.594 0 50 CDAA Cc1cc2c(cc1-c1nccn1[C@@H]1CCN(C)C1=O)OCO2 1857674998 HCUJUJCVMOZNFN-GFCCVEGCSA-N 299.330 1.990 0 50 CDAA Cc1nc(NC(=O)[C@H]2CCOC2)sc1C(=O)N(C)C 1857714898 RIJWJUOFPGHWQS-QMMMGPOBSA-N 283.353 1.128 0 50 CDAA COC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C 2555029 UEBNVLLIWJWEKV-VIFPVBQESA-N 260.334 1.182 0 50 CDAA in-vitro O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC2(CC1)OCCO2 5562237 YDLSVFXNAGAFOU-NWDGAFQWSA-N 297.351 1.243 0 50 CDAA Cc1noc(C)c1[C@@H](C)C(=O)NC1(C(=O)O)CC1 237461671 GBBFXEFUGOXVFT-ZCFIWIBFSA-N 252.270 1.128 0 50 CDAA O=C(O)CCCNC(=O)[C@H]1SCCc2ccccc21 237976344 ZDCTVNNWDHICFD-ZDUSSCGKSA-N 279.361 1.998 0 50 CDAA C[C@H](CC(=O)N1CC(C)(C(N)=O)C1)Cc1cccc(F)c1 580076669 CWUJOXYKQUMWKC-NSHDSACASA-N 292.354 1.728 0 50 CDAA CCC(=O)N1CCN(c2cccc3n[nH]cc23)CC1 1142718892 UJJONFWRXJTTQN-UHFFFAOYSA-N 258.325 1.622 0 50 CDAA CN(C(=O)C(F)F)c1ccc(S(=O)(=O)N(C)C)cc1 844499653 PFGKVAJJECLYEJ-UHFFFAOYSA-N 292.307 1.165 0 50 CDAA COc1ccc(-c2noc([C@](C)(O)C3CC3)n2)cn1 804607763 VWQVQNWMUQCJBS-CYBMUJFWSA-N 261.281 1.758 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(Cl)cn1)C2 1704355934 YHTBRGVZUQNCOR-JQWIXIFHSA-N 295.770 1.138 0 50 CDAA CC1(OCC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)O)C[C@@H]32)CCC1 907943899 GGMXQTXVZNFAAW-FIQHERPVSA-N 281.352 1.561 0 50 CDAA CCn1nc(C2CC2)cc1C(=O)N1CC[C@H](NC)C1 911660182 HNXNBTSAHBOHMD-NSHDSACASA-N 262.357 1.214 0 50 CDAA Cc1cnc([C@@]2(NC(=O)c3[nH]ccc3C)CCOC2)[nH]1 818668905 XEKBULDYQMRIGA-CQSZACIVSA-N 274.324 1.400 0 50 CDAA CC(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@H]32)o1 923193191 FZMISBKFQGZLNY-QCLAVDOMSA-N 277.276 1.321 0 50 CDAA O=C(CN1CCC(c2ncco2)CC1)Nc1cccnn1 931442960 QXDVUSRHUKOLDX-UHFFFAOYSA-N 287.323 1.283 0 50 CDAA O=C1C(=O)N(CN2CCC[C@H](CF)C2)c2ccccc21 1262051469 PWALERNBPLBUJM-LLVKDONJSA-N 276.311 1.855 0 50 CDAA C[C@@H]1OCC[C@H]1C(=O)N(CCc1ccccc1)CC(=O)O 833632924 AUZMCQVMTDGWAF-GXTWGEPZSA-N 291.347 1.567 0 50 CDAA COCCc1noc(CN(C)Cc2ccsc2)n1 103465358 VWFZESDMBKBWBM-UHFFFAOYSA-N 267.354 1.952 0 50 CDAA CCOC1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 226563396 NHZPVTBVMMWDCQ-UHFFFAOYSA-N 264.325 1.026 0 50 CDAA COc1ncc(Cl)c(N(C)CC2(O)CCOCC2)n1 162165983 RBDPHSOFBZXTQM-UHFFFAOYSA-N 287.747 1.116 0 50 CDAA C[C@@]1(CO)CCCN(C(=O)c2ccc(O)cc2F)C1 165300338 BUGKIJIXPNQCGI-CQSZACIVSA-N 267.300 1.766 0 50 CDAA Cc1cccc(S(=O)(=O)N(C)CC2(CO)CC2)c1F 188979446 NZULHNSAIJICEF-UHFFFAOYSA-N 287.356 1.527 0 50 CDAA COc1cccc([C@@H]2CCCN2Cc2nnn(C)n2)c1 194442277 OJJMUOXTTGXDQW-ZDUSSCGKSA-N 273.340 1.556 0 50 CDAA CCCOc1ccc(OCCN2C[C@H](O)CO2)cc1 311817971 JMPWBLAFBHDXEU-LBPRGKRZSA-N 267.325 1.462 0 50 CDAA COC[C@H]1CN(c2ccc(F)cc2C(C)=O)CCO1 408516837 QXQFNOOEGCYUCO-GFCCVEGCSA-N 267.300 1.880 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)CCO1 567408814 DUWYYIWBJXIROT-FHUSYTEZSA-N 281.352 1.513 0 50 CDAA CCC[C@H](CNc1cc(OC)nc(=N)[nH]1)N(C)C 534587718 BWIYYCDAQYHGSN-SECBINFHSA-N 253.350 1.040 0 50 CDAA CC1(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)CC=CC1 907950842 ZYRWJYJZMYCGLE-WHOHXGKFSA-N 263.337 1.958 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1cnc2[nH]ccc2n1 2325799037 OVLDWMGBMCFTKI-CYBMUJFWSA-N 262.313 1.239 0 50 CDAA O=C(N1CC(c2cc(O)no2)C1)C1(c2cnco2)CC1 2325803622 QVFLIJWVPBEPPA-UHFFFAOYSA-N 275.264 1.026 0 50 CDAA CNC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(C)cc1 307258 LOQMZFAIGCOSJK-GFCCVEGCSA-N 275.377 1.534 0 50 CDAA COC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 379507 IQMCVRDRJAJDKF-UHFFFAOYSA-N 277.729 1.279 0 50 CDAA CCOC(=O)Cc1nnc(-c2ccc(OC)cc2)o1 409482 WFJBBLBJVAZSSV-UHFFFAOYSA-N 262.265 1.851 0 50 CDAA CC(=O)c1ccc(N(C(F)F)S(C)(=O)=O)cc1 615108 PKQFJRCFGWINBO-UHFFFAOYSA-N 263.265 1.878 0 50 CDAA N[C@H](CC(=O)O)Cc1ccccc1Br 2506646 GKIOKKDLKBJXIS-QMMMGPOBSA-N 258.115 1.794 0 50 CDAA Cn1c(SCC(=O)O)nnc1-c1ccccc1F 2523680 BLERKUNSBFDKJC-UHFFFAOYSA-N 267.285 1.798 0 50 CDAA COCCCNS(=O)(=O)c1ccc(OC)cc1 2742928 RJKUWVUMCPQBKR-UHFFFAOYSA-N 259.327 1.010 0 50 CDAA Cc1cnccc1C(=O)N[C@H]1CCC(=O)NC12CCC2 282919363 VTJJSGBLVLPHHO-LBPRGKRZSA-N 273.336 1.321 0 50 CDAA CS(=O)(=O)c1ncn(C23CC4CC(CC(C4)C2)C3)n1 9142791 UXPUGTUYVYAFLV-UHFFFAOYSA-N 281.381 1.607 0 50 CDAA C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 248896721 LDMMQYLIWXAMLS-WOPDTQHZSA-N 267.373 1.472 0 50 CDAA CC(C)SCC(=O)NCC[C@H]1CCCN(C)C1 67743106 GQORYJLATHQZQL-GFCCVEGCSA-N 258.431 1.976 0 50 CDAA CC(C)c1cc(C(=O)N2CCCC[C@H]2C(=O)O)nn1C 136526394 SMMUXIQRSATXIC-NSHDSACASA-N 279.340 1.623 0 50 CDAA Cc1cccc2c1nc(CCO)n2-c1cccc(N)n1 65430605 XNUMPIAKSOTHAP-UHFFFAOYSA-N 268.320 1.846 0 50 CDAA CNc1ccnc(N(C)CCCn2nc(C)cc2C)n1 65493845 ZIHKYZLWQYRPRK-UHFFFAOYSA-N 274.372 1.858 0 50 CDAA CCCC[C@@H](C(N)=O)N1CC[C@@H](Oc2ccccn2)C1 229891011 HWAUFOAKFAUXJD-OLZOCXBDSA-N 277.368 1.579 0 50 CDAA O=C(NC[C@@H]1C[C@H]1C1CCC1)C1(CO)CCOCC1 333343456 YPSMKWITDAIYHS-STQMWFEESA-N 267.369 1.328 0 50 CDAA Cn1cc(C(=O)Nc2cc(-c3ccco3)nn2C)cn1 252510953 ZSOYBWKNAWGOJX-UHFFFAOYSA-N 271.280 1.666 0 50 CDAA CCOC[C@@H](C)NC[C@@H]1CCO[C@H]1c1ccnn1C 328654672 XPNPGIYSRLJPPX-MBNYWOFBSA-N 267.373 1.512 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CNCc1ccnc(N(C)C)n1 328628525 NTZGSYHEUGDSPB-TZMCWYRMSA-N 278.400 1.693 0 50 CDAA O=C([C@@H]1C[C@H]1C1CC1)N1CCOC[C@H]1c1ncon1 329467307 WNZLFERGAGDSSX-AXFHLTTASA-N 263.297 1.016 0 50 CDAA Cc1ccccc1CC(=O)N1CCC(n2cnnc2)CC1 215725679 LDAQATSSRAXZGG-UHFFFAOYSA-N 284.363 1.993 0 50 CDAA Cc1ccccc1OC[C@@H](O)C(=O)N(C)Cc1ccon1 217154464 FJXPMQHEVUWAOM-CYBMUJFWSA-N 290.319 1.381 0 50 CDAA CCc1ccc(CN2CCOC[C@@H](CN(C)C)C2)nc1 72156309 VGHUQYKTXZQCHA-HNNXBMFYSA-N 277.412 1.654 0 50 CDAA C[C@@H]1CN(c2nccc(-c3cc(C(=O)O)ccn3)n2)CCN1 72419052 APFOCBZUCOQDSY-SNVBAGLBSA-N 299.334 1.035 0 50 CDAA C[C@H]1Cc2cccc3c(=O)c(C(=O)NCCCO)cn1c23 33089067 NUBPOFAUTRAMTM-JTQLQIEISA-N 286.331 1.231 0 50 CDAA CCO[C@H]1C[C@H](NC(=O)C2(C(=O)O)CC2)C1(CC)CC 154969434 OUHHHXVIESUBFQ-QWRGUYRKSA-N 283.368 1.951 0 50 CDAA CCC[C@@H](N)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 236909318 DKKGVDYGIDFWLZ-VHSXEESVSA-N 281.322 1.209 0 50 CDAA CC(C)c1scnc1C(=O)N1CCN2C(=O)OC[C@@H]2C1 368112272 IDBZHMKOGVBWIJ-VIFPVBQESA-N 295.364 1.543 0 50 CDAA Cc1cccnc1[C@H](C)NC(=O)c1cn2c(n1)CNCC2 72138689 WHBDUBUYXXOVGI-NSHDSACASA-N 285.351 1.181 0 50 CDAA Cc1ccnn1CCC(=O)N(C)[C@@H](C)c1ccncn1 219649099 UDUAGFRDUATUII-LBPRGKRZSA-N 273.340 1.591 0 50 CDAA O=C(Nc1cnn(CCN2CCCCC2)c1)[C@@H]1CCCN1 238096811 BHTQQUQBZSFAIM-AWEZNQCLSA-N 291.399 1.060 0 50 CDAA CN1CCC(N(CCc2ccccc2)S(C)(=O)=O)CC1 72154034 WKARTLMLNXWREA-UHFFFAOYSA-N 296.436 1.585 0 50 CDAA O=C(CCc1ccccc1C(=O)O)N[C@H]1CCCOC1 262281034 ZNZSIBBWWVPGBP-LBPRGKRZSA-N 277.320 1.613 0 50 CDAA COC[C@@]1(C(=O)N2CCc3cc(F)ccc3C2)CCNC1 335196632 QQDTYAIFBVIPRF-MRXNPFEDSA-N 292.354 1.337 0 50 CDAA CSc1ncc(CN2CCCC[C@@H]2CO)cn1 216154744 ZEVMUBUFGYWAMY-LLVKDONJSA-N 253.371 1.545 0 50 CDAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2C[C@H]3CC[C@H]2O3)C1 245935706 JBKLVVWPDJQARN-XPABHHOTSA-N 293.411 1.432 0 50 CDAA CN1CCOc2ccc(C(=O)N3CC[C@](F)(CO)C3)cc21 377250105 BGJHVTDOBOAGCH-OAHLLOKOSA-N 294.326 1.062 0 50 CDAA CCSCN1C(=O)C(=O)N(C2CCCCC2)C1=O 241409049 NEDMOUIOIOTZEN-UHFFFAOYSA-N 270.354 1.821 0 50 CDAA Cc1oc2ccccc2c1CNC(=O)N[C@H](CO)[C@@H](C)O 458637194 GNPNLPKOQKSFBS-NOZJJQNGSA-N 292.335 1.282 0 50 CDAA CCCc1cc(C(=O)N2CC[C@@H](N)[C@@H](OC)C2)ccn1 71770994 DVWTZGZKHYBZOL-KGLIPLIRSA-N 277.368 1.222 0 50 CDAA CCC[C@@H](CC(=O)O)NC(=O)c1ncccc1C 135712392 YHSGALVUNXCIGT-JTQLQIEISA-N 250.298 1.763 0 50 CDAA COC(C)(C)C(=O)N1CCN(CC(F)(F)F)CC1 224034650 CJMKJUARFQIVOU-UHFFFAOYSA-N 268.279 1.118 0 50 CDAA CC[C@H](CNC(=O)c1cc(=O)cc(C)[nH]1)N1CCCCC1 426428031 NKVHQSPEVHMPAH-CYBMUJFWSA-N 291.395 1.678 0 50 CDAA O=C(NC1(C(=O)O)CCC1)[C@H](O)C1CCCCC1 426372010 JKEDMGXCRMUOGX-SNVBAGLBSA-N 255.314 1.051 0 50 CDAA CS(=O)(=O)c1ncc(Br)cc1F 143247816 WWDRCENTMVWGSB-UHFFFAOYSA-N 254.080 1.387 0 50 CDAA NCCOc1ccc(F)cc1C(=O)N[C@H]1CC[C@H](O)CC1 426739713 JIGNZMUGSMITIB-HAQNSBGRSA-N 296.342 1.197 0 50 CDAA Cc1ccc([C@H]2CN(C(=O)c3cccc(O)c3)C[C@@H]2N)o1 91997651 LYEBUOFAIRCGPD-KBPBESRZSA-N 286.331 1.861 0 50 CDAA CC(C)Cc1cc(C(=O)N[C@@H](C)CC(=O)O)on1 95502033 VXQKNQNTHDYQLI-QMMMGPOBSA-N 254.286 1.466 0 50 CDAA CCOC(=O)c1cc2n(n1)CCN2C(=O)OC(C)(C)C 96029103 GKRDRKRLEUQWGO-UHFFFAOYSA-N 281.312 1.815 0 50 CDAA CCn1ncc(C(=O)NCc2csc([C@H](C)OC)n2)n1 294971157 NCEFHGMKWGCYIB-QMMMGPOBSA-N 295.368 1.392 0 50 CDAA O=C(NCc1nc(C2CC2)no1)[C@@H]1COc2ccccc2C1 95526686 XCXPVTHPHKUQDB-LBPRGKRZSA-N 299.330 1.815 0 50 CDAA O=c1c2cccn2cnn1CCCc1cccnc1 95360231 FYZVUXVNPJGTIO-UHFFFAOYSA-N 254.293 1.524 0 50 CDAA Cc1nc(CCCc2cn[nH]c2)n(CCc2cnc[nH]2)n1 97156076 GAXAIDCCFBHDBL-UHFFFAOYSA-N 285.355 1.451 0 50 CDAA Cn1cc(CCC(=O)Nc2ccccc2CC(=O)O)cn1 237773352 YCALJAYQGFHGEY-UHFFFAOYSA-N 287.319 1.619 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2CCNC2)[C@H](c2ccccc2)CO1 269237441 XKGMPSHIVWERIK-SNPRPXQTSA-N 274.364 1.585 0 50 CDAA CCCC[C@H](C(N)=O)N1CCC[C@H]1[C@H]1CCCN1C(C)=O 299754277 DZJJBYHRPXAQOC-QLFBSQMISA-N 295.427 1.506 0 50 CDAA C[C@@H](C(=O)O)N1CCC[C@H](N2CCCCCC2)C1 299750050 MNKMODSDNADTRD-STQMWFEESA-N 254.374 1.800 0 50 CDAA O=S1(=O)CCCC[C@@H]1CN=c1cc[nH]c2ccncc12 543189470 RAGYYCDLMBYOST-LLVKDONJSA-N 291.376 1.431 0 50 CDAA Cc1cc(C(F)F)oc1C(=O)NC1COCCOC1 627484691 GKBNKHXUEDHEPO-UHFFFAOYSA-N 275.251 1.671 0 50 CDAA CN(Cc1cnc(N)s1)C[C@@H]1COc2ccccc2O1 261731199 HFFLCRJLVQGZLL-SNVBAGLBSA-N 291.376 1.997 0 50 CDAA Cc1cccc(C2(NC(=O)CCn3cnnn3)CC2)c1 534646703 XASBEACLMNCVHR-UHFFFAOYSA-N 271.324 1.177 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C)C[C@@H](CO)C2)ns1 630030584 BLWNXXODUJRFKH-PSASIEDQSA-N 254.355 1.542 0 50 CDAA CN(C[C@H]1CCCO1)C(=O)c1cnc2cnn(C)c2c1 1940195356 OBFDMUONRXVYFY-LLVKDONJSA-N 274.324 1.219 0 50 CDAA CO[C@H]1CCN(CC(=O)Nc2cccc(C(=O)O)c2)C1 299765205 KHSSNVNYDQOWHX-LBPRGKRZSA-N 278.308 1.044 0 50 CDAA COc1ccc(-n2ncnc2[C@@H]2CCCNC2=O)cc1 824698909 CNNWNNZDCGOSHW-LBPRGKRZSA-N 272.308 1.270 0 50 CDAA O=C1C[C@@H](C(=O)NCCc2ccncc2)C2(CCCC2)O1 827693845 WEXGTNZUAGSRQC-ZDUSSCGKSA-N 288.347 1.616 0 50 CDAA NCCc1ccc(C(=O)NCc2cncn2C2CC2)cc1 584900784 QLHXPSQLCSZPDH-UHFFFAOYSA-N 284.363 1.649 0 50 CDAA CC(C)(CN1CCCC1)NC(=O)[C@H]1CC[C@@H](O)CC1 584889404 RKDARFUVNUTIFJ-BETUJISGSA-N 268.401 1.528 0 50 CDAA Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)cnc1C 584886225 BAHMUWQVENMEHK-NSHDSACASA-N 258.325 1.923 0 50 CDAA CN1C[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2 584894240 LZOZNUBFYTZVSY-AJNGGQMLSA-N 280.412 1.480 0 50 CDAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(C)C[C@H]1C 685939469 WOKZAHMYMUQXGK-SNPRPXQTSA-N 288.391 1.961 0 50 CDAA CC[C@H](C(=O)NC[C@@H]1CNCc2ccccc21)N(C)C 952852325 WAGIHBITGQITOL-DZGCQCFKSA-N 275.396 1.330 0 50 CDAA Cc1nc(NC(=O)[C@@H]2CCCOC2)c2cc[nH]c2n1 1875275004 MKOQLJFSKKCFMP-SECBINFHSA-N 260.297 1.631 0 50 CDAA O=C(N[C@H]1CCc2ccccc21)[C@H](O)CN1CCCC1 1875308735 ULECYPVYRAAZHU-LSDHHAIUSA-N 274.364 1.247 0 50 CDAA Cc1noc(C2CCN(c3ccnc4c3C(=O)NC4)CC2)n1 1875310725 ZYLMZFJTGDEJNZ-UHFFFAOYSA-N 299.334 1.400 0 50 CDAA COCc1cc(C2CN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)no1 886084827 KFZBEPOOSOXHBH-OLZOCXBDSA-N 276.336 1.793 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccnc(N)c2)C1 888079279 SBYYJHGFZFVXKW-VXGBXAGGSA-N 273.340 1.349 0 50 CDAA Cc1c(CC(=O)N2CC(Cc3ccoc3)C2)cnn1C 890573577 ANZVBDZGSAWHQW-UHFFFAOYSA-N 273.336 1.565 0 50 CDAA c1cc(N2CCN(c3cc(C4CC4)ncn3)CC2)cnn1 895959693 CGUPMWLXQKKHNX-UHFFFAOYSA-N 282.351 1.471 0 50 CDAA O=C(O)c1[nH]c2ccccc2c1CCNC(=O)[C@H]1C[C@H]1F 1776003172 DOLJCDNIQINVPZ-WDEREUQCSA-N 290.294 1.883 0 50 CDAA NC(=O)c1csc(Cn2cc(C3CCC3)nn2)n1 899725959 VETAELYMGMNHLT-UHFFFAOYSA-N 263.326 1.149 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)c1cccc(N(C)C)c1 1565510515 SRVUOPSHLKRTJA-KBPBESRZSA-N 278.352 1.286 0 50 CDAA COc1ccc(CN2CCNC(=O)[C@H]2C)c(OC)c1 79045487 VRRFLEAHVFVBIE-SNVBAGLBSA-N 264.325 1.024 0 50 CDAA in-vitro CC1(C(=O)N2CCCN(Cc3ccccc3)CC2)COC1 272864114 SPOBWMZDVCOILL-UHFFFAOYSA-N 288.391 1.757 0 50 CDAA CN(C(=O)c1ccnn1C1CCCC1)[C@H](CN)C1CC1 579110787 AYVHPOUAHBCONA-CQSZACIVSA-N 276.384 1.808 0 50 CDAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ncc[nH]1 275639667 SWUVZYDKUCJOCY-SMDDNHRTSA-N 275.356 1.494 0 50 CDAA C[C@@H]1OCC[C@@H]1[S@@](=O)Cc1nnnn1-c1ccccc1 170689294 VXKVAVHNPDNLRV-QARYCYADSA-N 292.364 1.088 0 50 CDAA Cc1noc(-c2ccnc(NC[C@]3(O)CCOC3)c2)n1 301848022 NTHJHCLTRBEAJI-CYBMUJFWSA-N 276.296 1.003 0 50 CDAA CCCNC(=O)[C@@H]1CCCN(C(=O)NC2CCC2)C1 407967235 PNCUZXFKNQUHFT-LLVKDONJSA-N 267.373 1.487 0 50 CDAA C[C@@H]1CCN(CC(=O)NC(C)(C)C)[C@H]([C@@H](C)O)C1 408434973 UDAHDVIEIKCQOI-UTUOFQBUSA-N 256.390 1.382 0 50 CDAA C[C@@H](C(=O)NC/C=C/CNC(=O)[C@H](C)C1CC1)C1CC1 585087875 ZAXJKBUSLVZKGB-BLDJZWNYSA-N 278.396 1.867 0 50 CDAA COc1cncc(CN=c2cc(Cl)nc(C)[nH]2)c1 585117987 NDGXWUXIPPLEJN-UHFFFAOYSA-N 264.716 1.876 0 50 CDAA Cc1ccc(O)cc1C(=O)N1C[C@@H](C)N(C)C[C@@H]1C 585135286 AGBYZSGOMGHARG-NEPJUHHUSA-N 262.353 1.865 0 50 CDAA CCO[C@H]1C[C@](CO)(NC(=O)c2ccoc2)C1(C)C 188803638 TVZLGMXTHRONCU-SMDDNHRTSA-N 267.325 1.576 0 50 CDAA C[C@H](NC[C@]1(O)CCC[C@H]1C)C(C)(C)n1cncn1 639210011 GJIPXWOIGKXIKM-MBNYWOFBSA-N 266.389 1.542 0 50 CDAA COCC(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 225449047 GFMJHNYKTNXADS-UHFFFAOYSA-N 280.715 1.565 0 50 CDAA CC(C)[C@@H](C)S(=O)(=O)Cc1nnc2n1CCCCC2 683921715 DQJSOWRPORPQCH-LLVKDONJSA-N 285.413 1.964 0 50 CDAA O=C(NS(=O)(=O)CCc1ccccc1)c1ccco1 195082606 KKZAZCSSWWWTBH-UHFFFAOYSA-N 279.317 1.582 0 50 CDAA CC1(C)C[C@@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)O 655596560 HFAFUXNBOCXFAP-GHMZBOCLSA-N 262.309 1.240 0 50 CDAA CO[C@@H]1CN(C(=O)N2CCC(C)CC2)C[C@H]1c1cnn[nH]1 657145669 OSOGFRPCUKUKIB-WCQYABFASA-N 293.371 1.071 0 50 CDAA O=C(Nc1nc2cnccc2[nH]1)[C@@H]1CCc2n[nH]cc2C1 760949982 MPFPBCFDYIALHF-MRVPVSSYSA-N 282.307 1.425 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1ccc2cccnc2n1 699248018 WWMCDRMXKYENJT-NSHDSACASA-N 271.276 1.319 0 50 CDAA COc1ncc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)cn1 1529168006 TZVMRFUJVMINFL-KPWCQOOUSA-N 277.368 1.467 0 50 CDAA CCC[C@H]1COC[C@H]2CN(C(=O)c3ccoc3)CCN12 1529103425 BJKZZWJVLOEGRV-UONOGXRCSA-N 278.352 1.605 0 50 CDAA OC(O)(c1cncc(Br)c1)C(F)(F)F 1535646104 VVADTYSQMRWSOY-UHFFFAOYSA-N 272.020 1.544 0 50 CDAA C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H](CO)[C@@H]1CO 1857529807 JSDCKCXSHHCJOW-BARDWOONSA-N 283.412 1.795 0 50 CDAA CCO[C@H]1COC[C@@H]1Nc1nccc(N(C)CC)n1 1704315608 MAPURABVUWMICX-QWRGUYRKSA-N 266.345 1.149 0 50 CDAA CO[C@H]1CN(C(=O)c2csc3ccccc23)C[C@@H]1O 1615970381 YDGJGPSYPFXPDE-RYUDHWBXSA-N 277.345 1.733 0 50 CDAA COC(=O)c1nnc2ccc(Br)cc2c1O 527430628 YCRPLDYXCLBWGR-UHFFFAOYSA-N 283.081 1.885 0 50 CDAA CC(C)c1cc(C(=O)N(C)Cc2ncc[nH]2)nn1C 330969341 CACWLIZEVUWMAZ-UHFFFAOYSA-N 261.329 1.539 0 50 CDAA COC(=O)/C=C/CNC(=O)CCc1cc(F)ccc1F 1875273324 PCNPGKOONKHFNR-NSCUHMNNSA-N 283.274 1.743 0 50 CDAA CC(C)c1noc(CN(C)C[C@H]2CCC(=O)N(C)C2)n1 1775984103 HRHWAZOMJCPXQG-LLVKDONJSA-N 280.372 1.493 0 50 CDAA CN1C[C@@H](c2nnc3n2-c2ccccc2OC3)CC1=O 1775983209 IUAUQMIWOVFZAM-VIFPVBQESA-N 270.292 1.105 0 50 CDAA N[C@H](Cc1ccccc1)c1nnc(NCCCCCO)o1 1772704417 RDZSJHVOMFUSIE-CYBMUJFWSA-N 290.367 1.887 0 50 CDAA CN1Cc2nnc(-c3cccnc3)n2-c2ccccc2C1=O 1772817868 YJBLPUQWXRODRM-UHFFFAOYSA-N 291.314 1.915 0 50 CDAA CN(C)S(=O)(=O)c1cc(Cl)c(N)cc1Cl 5965104 RVDTXDMZBHZDCD-UHFFFAOYSA-N 269.153 1.826 0 50 CDAA CCc1c(C)n(CC(=O)OC)c2nc3ccccc3n2c1=O 12323312 QGRHLPKKAJCVSV-UHFFFAOYSA-N 299.330 1.693 0 50 CDAA COC(C)(C)CNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12429273 KOFSXQSQKZQGLK-LBPRGKRZSA-N 296.411 1.709 0 50 CDAA COC(=O)CCOc1ccc(OCCC(=O)OC)c(N)c1 15108870 DIVBWMFUOLZMMK-UHFFFAOYSA-N 297.307 1.153 0 50 CDAA Cc1ccccc1CNC(=O)c1ncoc1[C@@H]1[C@H]2CN[C@H]1C2 1857528867 JPEFTKAPJZSFAT-HZSPNIEDSA-N 297.358 1.988 0 50 CDAA Cc1[nH]c(=N)[nH]c1C(=O)N[C@H](C)c1cc(F)cc(F)c1 1857684458 OPZCIAMVQLFKNK-ZCFIWIBFSA-N 280.278 1.900 0 50 CDAA Cn1nc2c(c1-c1ccccc1)CCN(C(=O)CO)CC2 1857713847 UKNFBXNSCMNVOZ-UHFFFAOYSA-N 285.347 1.007 0 50 CDAA Cc1cc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)c(C)o1 636223911 HVSHOBOPTUMLEL-LBPRGKRZSA-N 290.323 1.029 0 50 CDAA CCc1ccccc1OCC(=O)N1CC[C@H](N)C[C@H]1C 237033669 GIRDVVNCGLQDLK-OCCSQVGLSA-N 276.380 1.966 0 50 CDAA CO[C@H](CNC(=O)N1CCC[C@H]1c1nncn1C)C(C)C 241515560 OGGZAPLGCHVVEM-NWDGAFQWSA-N 295.387 1.333 0 50 CDAA O=C(N[C@H]1C[C@H](C(=O)O)C1)[C@H]1CCc2cc(F)ccc21 567917384 KJYVKMCCPPBYKD-GAFUQQFSSA-N 277.295 1.835 0 50 CDAA Cc1cnc(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)cn1 262013891 WRPVFJINZHFFKG-AWEZNQCLSA-N 297.314 1.609 0 50 CDAA O=C(O)[C@H]1CCCN1c1nc(C2CC2)nc2[nH]ccc12 900941864 YYZCNBUWHQTTAH-SNVBAGLBSA-N 272.308 1.889 0 50 CDAA O=C(COc1cncnc1)N(C1CCCC1)C1CC1 901705324 BAALQQOUUNAXEO-UHFFFAOYSA-N 261.325 1.789 0 50 CDAA O=c1nc(-c2cnccn2)ccn1CCO[C@@H]1CC1(F)F 902653265 YONJVDSOHWLNCI-LLVKDONJSA-N 294.261 1.125 0 50 CDAA Cc1nc([C@H]2OCC[C@H]2CNCc2c(C)n[nH]c2C)n[nH]1 825292214 BURKEBYOPGQYCV-AAEUAGOBSA-N 290.371 1.320 0 50 CDAA Cc1nc([C@@H]2CCN(C(=O)c3cccc(F)c3O)C2)no1 829928086 WEKFEMMNNDAQKT-SECBINFHSA-N 291.282 1.852 0 50 CDAA Cc1nonc1CNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 838621191 USTAVPDKGAKJGW-STQMWFEESA-N 286.335 1.981 0 50 CDAA COCC[C@](C)(O)CNC(=O)c1ccc(O)c(C)c1 227036721 GUTHHPCYILJXLL-AWEZNQCLSA-N 267.325 1.218 0 50 CDAA CN1CCCN(C(=O)Cc2ccccc2F)CC1 6731172 XLLLLROEDACPGP-UHFFFAOYSA-N 250.317 1.532 0 50 CDAA C[C@@H](O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 154835217 JFXURQXWEAXIPS-CJNGLKHVSA-N 276.380 1.538 0 50 CDAA O=C(Cc1cccnc1)N1CCC([C@H]2CCNC2)CC1 290065299 HXHGECYLGYBLCQ-HNNXBMFYSA-N 273.380 1.472 0 50 CDAA C[C@@]1(C(=O)O)CCCCN1CCCn1cccn1 534631757 UXAWGRONGPULEL-ZDUSSCGKSA-N 251.330 1.602 0 50 CDAA N[C@@H]1CCCCCN(C(=O)c2ccc(C(=O)O)cc2)C1 630575595 PURQMKGOBGASFT-CYBMUJFWSA-N 276.336 1.728 0 50 CDAA COC[C@]1(C(=O)O)CCCN1Cc1noc(C2CC2)n1 643879352 QDVPLOUWZXOALD-ZDUSSCGKSA-N 281.312 1.013 0 50 CDAA Cc1cc(C(=O)N(CCC(=O)O)Cc2ccccc2)ncn1 678974171 UXTFSKHAPJKLLA-UHFFFAOYSA-N 299.330 1.902 0 50 CDAA CCc1cc(N2CC[C@](COC)(C(=O)O)C2)nc(C)n1 394271036 MGJBGCDUVCBGCK-AWEZNQCLSA-N 279.340 1.275 0 50 CDAA Cn1nncc1CNc1ncc(Br)cc1CO 952880326 NSIYUPUUZZIEBF-UHFFFAOYSA-N 298.144 1.077 0 50 CDAA COc1cc(S(=O)(=O)/N=c2/cccc[nH]2)ccc1Cl 36385 YDFWVQDTODNHNL-UHFFFAOYSA-N 298.751 1.966 0 50 CDAA COc1cc(Nc2ncc(C)c(N(C)C)n2)ncn1 2100534910 ZNGKHZYPGAKHTQ-UHFFFAOYSA-N 260.301 1.393 0 50 CDAA Cc1cccnc1NCCNC(=O)c1cccc2ncnn12 2100539798 YXHLIKQVJKURRL-UHFFFAOYSA-N 296.334 1.275 0 50 CDAA OC1(Cn2ccnn2)CCN(c2ccc(Cl)cn2)CC1 2325713641 RVCQHKNMMKLWIJ-UHFFFAOYSA-N 293.758 1.358 0 50 CDAA 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CN(C[C@@H]1CCCO1)c1cncc(C(=O)N2CCCC2)n1 670436155 CBIZQXMFYBPRAN-LBPRGKRZSA-N 290.367 1.328 0 50 CDAA CO[C@H]1COCC[C@@H]1NC(=O)C1CCCCCC1 670439065 BKZBOJWSJWEVEI-STQMWFEESA-N 255.358 1.877 0 50 CDAA Cc1cnc(N2CCC(N3CCNC3=O)CC2)nc1C 270663828 DDVUTXSXMPGBLK-UHFFFAOYSA-N 275.356 1.087 0 50 CDAA COc1cc(F)c(N2C(=O)[C@H](C)CN(C)C2=O)cc1OC 685944357 OSCICQVJNSDYAD-MRVPVSSYSA-N 296.298 1.877 0 50 CDAA Cc1cc(C(=O)N2CCC(c3ccncn3)CC2)on1 1548433643 HURFPFIWRXRLGW-UHFFFAOYSA-N 272.308 1.793 0 50 CDAA Cc1ccc(NC(=O)NCc2nc(C(C)(C)O)n[nH]2)cc1 1875289506 XQQPJFHAIISWGU-UHFFFAOYSA-N 289.339 1.662 0 50 CDAA CC(=O)Nc1nc(CN2CC[C@H](c3cc[nH]n3)C2)cs1 1875273811 LUSJZYISBFUWAS-JTQLQIEISA-N 291.380 1.814 0 50 CDAA C[C@H](NC(=O)/C=C/CN(C)C)c1nc(C(F)(F)F)no1 1875376899 MKYBASSTOSLYKE-KPJROHGDSA-N 292.261 1.383 0 50 CDAA CN(C)[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)O)s2)C1(C)C 887557619 YSSMLPGXGWTNGH-GHMZBOCLSA-N 296.392 1.905 0 50 CDAA C[C@H](NCc1cnn(C)c1C1CC1)C(=O)N1CCCC1 894233978 GZBNSHHXHBZHJA-NSHDSACASA-N 276.384 1.398 0 50 CDAA COC[C@@H](NC(=O)c1c[nH]cc(Cl)c1=O)C1CC1 1776002139 VAGIKINWXHXPIP-SNVBAGLBSA-N 270.716 1.183 0 50 CDAA Cn1nc(C2CC2)cc1C(=O)NCc1ccc(C(=O)O)cc1 899298386 LSCUEXUEDYEDOA-UHFFFAOYSA-N 299.330 1.926 0 50 CDAA CCN(C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)C2CCCC2)C1 1190328347 HECXPZFAXRSJCL-JSGCOSHPSA-N 295.427 1.234 0 50 CDAA Cc1cc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)ccc1Cl 135575740 AUWQMLWXDYWPIX-JQWIXIFHSA-N 283.755 1.870 0 50 CDAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCc1ccco1 135664983 AAGKECVCOPVRLG-GAIPPQHRSA-N 263.293 1.643 0 50 CDAA Cc1cc(CN(C)C[C@H]2COc3ccccc3O2)n[nH]1 19866223 JJWSAOIEPNVKCK-ZDUSSCGKSA-N 273.336 1.990 0 50 CDAA C[C@@]1(NS(=O)(=O)c2cccs2)CCO[C@H]1C1CC1 273111224 QDCGOLLONMZKSJ-NWDGAFQWSA-N 287.406 1.984 0 50 CDAA CCC[C@H](NC(=O)C1=Cc2ccccc2OC1)c1nnn[nH]1 170025050 SMWZCYMHCOMPBI-LBPRGKRZSA-N 299.334 1.633 0 50 CDAA CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 170618075 PKUVGBNWUFQCOR-NEPJUHHUSA-N 252.358 1.694 0 50 CDAA COC[C@@H](CO)NC(=O)c1c[nH]cc1-c1ccc(C)s1 280154287 YBZBJVHPYRQDOS-SNVBAGLBSA-N 294.376 1.789 0 50 CDAA OC[C@@H](CNc1ccncc1Cl)[C@@H]1CCOC1 281107475 XHJJFGSIKFTIHH-NXEZZACHSA-N 256.733 1.792 0 50 CDAA CCn1c(=O)c(=O)n(Cc2cc(C)on2)c2ccccc21 408525155 NPHMMYJVGDIMJH-UHFFFAOYSA-N 285.303 1.528 0 50 CDAA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2ccc[nH]2)c1 282486146 MFNYOOKSHYNUMT-WFASDCNBSA-N 286.331 1.971 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N1CCC(Cn2cccn2)CC1 187868049 BRDHNRRDYUFUJR-HIFRSBDPSA-N 291.395 1.937 0 50 CDAA CC(C)=CCNC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 190595992 KAMJCFPOTDZION-CQSZACIVSA-N 292.383 1.568 0 50 CDAA Cc1nnnn1CCC(=O)Nc1cccc(Cl)c1 193414131 XDTBHPFEBYPZFS-UHFFFAOYSA-N 265.704 1.664 0 50 CDAA COC(=O)c1nccnc1N1CC[C@H](c2ccncc2)C1 599101966 OAJMXVYZTIOWGG-LBPRGKRZSA-N 284.319 1.652 0 50 CDAA COC[C@@H]1CCCCN1C(=O)c1cc(O)nc(C2CC2)n1 565209128 NYFIAGJUQNPKPQ-NSHDSACASA-N 291.351 1.701 0 50 CDAA O=C1NCC[C@H]1Oc1cc(Br)cc(F)c1F 195446348 SSLSPLMIHYDSGX-SSDOTTSWSA-N 292.079 1.995 0 50 CDAA Cc1cccc(OCCC(=O)N2CC(C)(C(N)=O)C2)c1 569224790 JPUIZKNTLVVVSZ-UHFFFAOYSA-N 276.336 1.098 0 50 CDAA NCCn1cc(C(=O)Nc2ccc3c(c2)C=CCCC3)nn1 659368905 QHYSEFUIRLTLQO-UHFFFAOYSA-N 297.362 1.839 0 50 CDAA COC[C@H](O)CN=c1cccc(-n2cnc3ccccc32)[nH]1 585133143 WULQSZNJWCOAFX-GFCCVEGCSA-N 298.346 1.262 0 50 CDAA Cc1ccc(C(=O)O)c(NC[C@@H]2CC(=O)N(C3CC3)C2)n1 1506421599 RJHYKELVICHSQC-JTQLQIEISA-N 289.335 1.511 0 50 CDAA c1cncc(COC2CCN(CCn3ccnc3)CC2)c1 1506426205 DSNSFNQVDCRXQS-UHFFFAOYSA-N 286.379 1.959 0 50 CDAA CCCc1cc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)n[nH]1 1364656345 OXFUXHWMSVBZMY-JTQLQIEISA-N 288.355 1.500 0 50 CDAA Cc1cc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)no1 1529186237 WLRSVEQQKWVSOB-TZMCWYRMSA-N 287.319 1.366 0 50 CDAA O=C(c1n[nH]cc1Cl)N1Cc2ccccc2[C@@H](O)C1 1857685660 OHPUXZJVTOEETL-NSHDSACASA-N 277.711 1.753 0 50 CDAA CO[C@@H]1CCC[C@]12CCCN(c1cc(O)ncn1)C2 1704312564 VJPOZXFDNPUWJI-BXUZGUMPSA-N 263.341 1.968 0 50 CDAA Cn1cccc1C(=O)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1704354976 NOTVOIADLBIJHC-IUODEOHRSA-N 285.347 1.096 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)CNC(=O)O2 781852286 AUJWTEGAWSQMOT-UHFFFAOYSA-N 263.297 1.038 0 50 CDAA CNC(=O)c1cccc(CNc2ncc(F)c(OC)n2)c1 1772706967 YNZAVGFNIRIHBW-UHFFFAOYSA-N 290.298 1.596 0 50 CDAA CN(CCO)c1ccc(C(=O)C2CCOCC2)cc1 1772817670 UJBJOXMCVZLWCF-UHFFFAOYSA-N 263.337 1.724 0 50 CDAA O=C1C[C@@H](NCC2CC2)CN1Cc1cccc(F)c1 12763600 RAAOLDYXYFUHCG-CQSZACIVSA-N 262.328 1.926 0 50 CDAA CC(C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 17301593 VIXPRKOAOWOKGD-NSHDSACASA-N 264.325 1.826 0 50 CDAA CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 19773018 MIIMYAMMPOHQLH-UHFFFAOYSA-N 252.745 1.657 0 50 CDAA CSCC[C@H](CO)NC(=O)c1cc(C(C)(C)C)n[nH]1 154965918 PYKHKBQPIVRJPX-SECBINFHSA-N 285.413 1.551 0 50 CDAA CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)on1 1857689336 BDVCYZQKOVXQPB-TUAOUCFPSA-N 293.367 1.389 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 169239 YJRQMKSUAIKDDF-UHFFFAOYSA-N 283.349 1.480 0 50 CDAA in-vitro O=C(CCCn1cncn1)N[C@@H]1CCCCC[C@H]1C(=O)O 252550358 SLRHYALUWYSIBG-VXGBXAGGSA-N 294.355 1.208 0 50 CDAA CC(C)n1cc(CNC(=O)c2ccn(C(C)C)n2)nn1 408517241 DAKQKSGLIXYHKO-UHFFFAOYSA-N 276.344 1.566 0 50 CDAA CCC[C@](C)(COC(N)=O)COC(=O)NC1CC1 1722646 PTEUWWFEEPASRM-GFCCVEGCSA-N 258.318 1.777 0 50 CDAA in-man COc1ccccc1OC[C@@H](C)CNC(=O)[C@H]1CCCN1 225485378 LXAUUNWICKZBSW-QWHCGFSZSA-N 292.379 1.578 0 50 CDAA Cc1cc(OCC(=O)N[C@@H](CO)CCO)ccc1C(C)C 225500083 AKTVIONSTYMXKN-CYBMUJFWSA-N 295.379 1.357 0 50 CDAA CO[C@@H](C)C(=O)N1CCOc2cccc(F)c2C1 225765336 FTRJEXWVKGPVCO-VIFPVBQESA-N 253.273 1.582 0 50 CDAA C/C=C/Cn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 8765289 IJCFRSHHARNGPR-AATRIKPKSA-N 288.307 1.134 0 50 CDAA biogenic COCc1cc(C(=O)N2CC[C@H](C(=O)O)C2)ccc1F 237190162 WQSPQEYMWHRMIL-JTQLQIEISA-N 281.283 1.519 0 50 CDAA CC(C)(C)[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCO1 548397404 RNWNHGDZAVVPCH-NSHDSACASA-N 289.339 1.011 0 50 CDAA CCCn1nc(N2C[C@H](C(=O)O)CC2=O)cc1C 12404937 YPGGDBULEADDQB-SECBINFHSA-N 251.286 1.039 0 50 CDAA in-vitro O=C(CCCn1cncn1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 247797609 SMWIVSHDFHJKAF-CAEXGNQWSA-N 288.395 1.999 0 50 CDAA C[C@H](CC(=O)Nc1cc(C(N)=O)[nH]n1)c1ccccc1 676107782 ZVSRCXJNKGHMMJ-SECBINFHSA-N 272.308 1.641 0 50 CDAA O=C(c1ccc2c(c1)OCCCO2)N1C[C@@H](F)C[C@H]1CO 366661756 KSJQKJUGQJTNRF-RYUDHWBXSA-N 295.310 1.393 0 50 CDAA COc1ccc2ccccc2c1CCNC(=O)[C@@H]1CC(=O)N1 830542909 HRKIYGMSBOILKH-AWEZNQCLSA-N 298.342 1.396 0 50 CDAA O=C(Nc1cncc(F)c1)N[C@@H]1CCN(CC(F)F)C1 931261369 VFHBWYVBVJIDJV-SECBINFHSA-N 288.273 1.682 0 50 CDAA CC(C)(C)OC(=O)NCc1nnc(CCC(=O)O)s1 1857780997 COMYFTQRYFIKCS-UHFFFAOYSA-N 287.341 1.580 0 50 CDAA Cc1nn(C)cc1C(=O)N1CCCC[C@H]1CCC(=O)O 225901902 BOCYNOIUHUAULN-NSHDSACASA-N 279.340 1.588 0 50 CDAA CN(C(=O)c1cc(C2CC2)on1)C1C[C@@H]2CC[C@H](C1)N2 252539882 OPXBMRKHUPLZRD-FOSCPWQOSA-N 275.352 1.907 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)Cc1cccc(F)c1 129449856 GCCYZQZTSHBVLB-LBPRGKRZSA-N 281.283 1.070 0 50 CDAA Cc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc1F 262046189 ZEESXJGTPUWCJY-MFKMUULPSA-N 266.316 1.127 0 50 CDAA CS(=O)(=O)CCC(=O)NCCc1c[nH]c2ccccc12 62090064 YTTIIHDCIMEMGO-UHFFFAOYSA-N 294.376 1.261 0 50 CDAA COc1ccc(F)cc1CN1C[C@H]2[C@@H](C1)OCCN2C 352069288 WKJUTNATUYIXIE-DZGCQCFKSA-N 280.343 1.349 0 50 CDAA CNc1cc(C(=O)N2CCC3(CCO3)CC2)ccn1 97475021 RDBFWGFRDPNNEZ-UHFFFAOYSA-N 261.325 1.518 0 50 CDAA CCOc1ccnc(N2CCC[C@]3(CCNC3)C2)n1 534652968 BKGBSPWNHWWMQN-CQSZACIVSA-N 262.357 1.455 0 50 CDAA CCNC(=O)CN(C)Cc1sncc1Br 719812539 NLRHURZXJUFXFD-UHFFFAOYSA-N 292.202 1.474 0 50 CDAA CC[C@@H]1COCc2nnc(Cn3nc(C)c(C)c3C)n21 2100556212 IPLCTJAUGQPZBN-GFCCVEGCSA-N 275.356 1.929 0 50 CDAA COc1ccc(CCNC2=NCCCCN2)c(OC)c1 849215403 HPDBOGYCHHIUNR-UHFFFAOYSA-N 277.368 1.575 0 50 CDAA Cn1ncnc1C1(O)CCN(c2ccc(Cl)cn2)CC1 2325790621 YWLUQIZYMVCIHV-UHFFFAOYSA-N 293.758 1.352 0 50 CDAA CCc1nc(CCNC(=O)C[C@H]2C=C[C@@H](N)C2)sc1C 2325797504 ATXAOGSNIIXBPU-NWDGAFQWSA-N 293.436 1.966 0 50 CDAA CO[C@@H]1CC(N2CC[C@H](n3cc(Cl)cn3)C2)C[C@H]1OC 2325806116 VVXFEKDXHYDNBD-IACUBPJLSA-N 299.802 1.976 0 50 CDAA Cc1nn(C)c(C)c1CC(=O)N1C[C@@]2(N)CCC[C@@]2(F)C1 2325809217 QZXBRVXLUIKHOF-CABCVRRESA-N 294.374 1.011 0 50 CDAA Cc1cn2cc(-c3cnn(C)c(=O)c3)cc(F)c2n1 2325852361 BUCJJFUKACRNMD-UHFFFAOYSA-N 258.256 1.543 0 50 CDAA NC(=O)c1cnc(NC(=O)[C@@H]2CC3(CC[C@@H]2N)CC3)s1 2325865592 IGLDYFCBQRFVPL-SFYZADRCSA-N 294.380 1.088 0 50 CDAA NC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 923277217 MTMFCPBGHVFUJZ-CYBMUJFWSA-N 284.787 1.503 0 50 CDAA COc1c2c(nc3ccccc13)O[C@H]([C@](C)(O)CO)C2 35530 NETGEQWGGLFVRL-SWLSCSKDSA-N 275.304 1.290 0 50 CDAA biogenic,in-vitro COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 56802 BLQYEDXWEDWCNJ-LBPRGKRZSA-N 263.293 1.961 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N(C=O)[C@H]1c1ccccc1 139102 OCDYWBIASPWQFH-ZDUSSCGKSA-N 288.303 1.746 0 50 CDAA O=C(NCc1cccnc1)c1ccc2c(c1)OCO2 263520 ZXUNOMDWKHCOLC-UHFFFAOYSA-N 256.261 1.740 0 50 CDAA Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 283778 KFRYAJUTOBAFDT-MRXNPFEDSA-N 282.299 1.682 0 50 CDAA biogenic O=C(NCCOC(=O)c1cccs1)c1cccnc1 2315454 RQAPYZZJBBMLHB-UHFFFAOYSA-N 276.317 1.730 0 50 CDAA C[C@H]1C(=O)N2CCC[C@H]2c2nnc(-c3ccc(O)cc3)n21 2356136794 KGLJMTIFBUZNJP-CABZTGNLSA-N 284.319 1.889 0 50 CDAA CC(C)(C)OC(=O)N[C@@H](CO)[C@@H](O)c1ccccc1 2518278 WEIHMMMBXBQYNT-RYUDHWBXSA-N 267.325 1.606 0 50 CDAA Cc1ccncc1C(=O)N1CCC[C@@]12CCCN(C)C2=O 2356152997 MBXLNAGBKSWCLQ-MRXNPFEDSA-N 287.363 1.617 0 50 CDAA O=C1N(Cl)C2C(N1Cl)N(Cl)C(=O)N2Cl 4786872 TWVLNKKMSLYUQQ-UHFFFAOYSA-N 279.898 1.729 0 50 CDAA COC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 4845307 SAWAPSYINMPERO-UHFFFAOYSA-N 294.307 1.103 0 50 CDAA Cc1cc(Br)ccc1NC(=O)C(N)=O 4867670 JISAUDUUEKQEIX-UHFFFAOYSA-N 257.087 1.181 0 50 CDAA CC(=O)N1CCN(c2c(N)cccc2Cl)CC1 6659266 AEDZKZARKRFPHG-UHFFFAOYSA-N 253.733 1.591 0 50 CDAA C[C@H]1C[C@@H](C)CN(CC(=O)Nc2ccccc2C(N)=O)C1 6725557 UEIASVUCIDAPRA-TXEJJXNPSA-N 289.379 1.702 0 50 CDAA CC(C)N(Cc1ccccc1Cl)C(=O)[C@@H](N)CCN 55088839 SKJNJBZALIGLMX-ZDUSSCGKSA-N 283.803 1.753 0 50 CDAA C=CC(=O)N(CC)[C@@H](c1cccnc1)c1nccn1C 328599171 QFOLUJBHXDHPOT-AWEZNQCLSA-N 270.336 1.939 0 50 CDAA Cc1ccc(-n2cnnc2)cc1NC(=O)CN(C)C 65383224 KQMCORGYVQFOJY-UHFFFAOYSA-N 259.313 1.076 0 50 CDAA CC(=O)N(C)CC1=CCCN(Cc2nc(C)cc(C)n2)C1 65507224 KJUPWBXWYXXSAP-UHFFFAOYSA-N 288.395 1.704 0 50 CDAA Cn1c(CN2CC[C@](N)(C(=O)O)C2)cc2ccccc21 67833625 QBZKCFFNHAIHLU-OAHLLOKOSA-N 273.336 1.166 0 50 CDAA O=C(O)c1c(F)cccc1NS(=O)(=O)c1ncc[nH]1 311711171 NQHZSLYTSWQXEQ-UHFFFAOYSA-N 285.256 1.048 0 50 CDAA CC(C)CONC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 135339628 LLIMIBJGPHBTNC-BXKDBHETSA-N 272.370 1.144 0 50 CDAA Cc1nn(C)cc1CN(CC1CC1)C[C@@H]1CN(C)CCO1 328647190 TUQUSBCPYNMPID-INIZCTEOSA-N 292.427 1.271 0 50 CDAA Cc1ccncc1C(=O)N1CC[C@H](O)C12CCCC2 329468304 XHKXOQKDSHBFJS-ZDUSSCGKSA-N 260.337 1.910 0 50 CDAA COc1ccc(C(=O)NC[C@@H]2CCN(C)C2)cc1F 67712786 WYDNCFWFTOPPFI-JTQLQIEISA-N 266.316 1.516 0 50 CDAA O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)C(=O)c1cccs1 67895990 LFGSZKDFVVOHFX-VIFPVBQESA-N 292.360 1.058 0 50 CDAA CN(C)c1ccnc(C(=O)N[C@@H]2C[C@@H](N)C2(C)C)c1 864091920 JJPURZDWXFGCHD-VXGBXAGGSA-N 262.357 1.003 0 50 CDAA COCc1ncc(-c2noc(-c3ccccc3O)n2)c(=N)[nH]1 350565500 JPGWJPYNJWQDMZ-UHFFFAOYSA-N 299.290 1.458 0 50 CDAA CO[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C)c2)C[C@H]1O 451750510 RFUVVMWUGRNXGQ-MRVWCRGKSA-N 278.352 1.014 0 50 CDAA OC[C@@H]1CCCC[C@@H]1NCc1ncn(-c2ccccc2)n1 125217054 HVTOTADMQBJQMU-ZFWWWQNUSA-N 286.379 1.908 0 50 CDAA Cc1nc(CCN(C)C(=O)C2(C)CCCC2)no1 330683788 JFMWOIIBDRPRGU-UHFFFAOYSA-N 251.330 1.959 0 50 CDAA C[C@H]1OCCN(CCc2ccc3ccccc3c2)[C@@H]1C(N)=O 285178700 MQGMTFITTKEACK-DYVFJYSZSA-N 298.386 1.957 0 50 CDAA NC(=O)c1ccc(N2CCC(Cn3ccnc3)CC2)nc1 32592890 FVOHYEQAMVQBJX-UHFFFAOYSA-N 285.351 1.294 0 50 CDAA CC(C)CCN1C[C@@H](C(=O)N2CCCC2)CC1=O 34918471 YFZIWMXTBITILL-LBPRGKRZSA-N 252.358 1.503 0 50 CDAA CC(C)(C)N1CCC(NC(=O)c2ccnnc2)CC1 130635392 BSPRLCWJHYKMGP-UHFFFAOYSA-N 262.357 1.469 0 50 CDAA COCc1noc([C@@H](C)N2CCN(C3CC3)C[C@H](C)C2)n1 333449454 RKEPFNQLFHPMRT-VXGBXAGGSA-N 294.399 1.693 0 50 CDAA Cc1cncc(C(=O)N2CCC[C@@](O)(CN(C)C)CC2)c1 72166784 ZCASXLGGUQCBKX-INIZCTEOSA-N 291.395 1.309 0 50 CDAA NCC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 237954622 OPTQXWNWCTYBAO-LBPRGKRZSA-N 287.363 1.088 0 50 CDAA C[C@H]1CN(CCN2CCCC[C@H]2c2ccnn2C)CCO1 253398430 POSADKDFIMECRH-HOCLYGCPSA-N 292.427 1.668 0 50 CDAA c1ccc(-c2n[nH]c(CNc3ncncn3)n2)cc1 219930086 UFCPKTBPZHRUPM-UHFFFAOYSA-N 253.269 1.269 0 50 CDAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NC(C)(C)C(N)=O)o1 360973960 WNVIDHPXNAOTNE-RCWTZXSCSA-N 290.363 1.887 0 50 CDAA Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1CN 131693019 WZQSWYRPEICJOK-NSHDSACASA-N 288.800 1.760 0 50 CDAA COc1ccc(C(=O)NC(C)(C)c2c(C)noc2C)nn1 286348279 BHRKGRNOIJHROM-UHFFFAOYSA-N 290.323 1.755 0 50 CDAA Cc1nn(C)cc1[C@H](C)Nc1ncnc2[nH]cnc12 32561802 XNOPPSBPXGCVMD-ZETCQYMHSA-N 257.301 1.568 0 50 CDAA O=C(CCc1ccco1)N1CCC(c2nnc(O)o2)CC1 339194075 AYYJBXNRAFFSDB-UHFFFAOYSA-N 291.307 1.707 0 50 CDAA Cc1nn(C)c(C)c1OCC(=O)N(C)[C@@H]1CCCNCC1 364643352 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CDAA CC[C@H](NC(=O)CCn1nccc1C)c1ncc(C)[nH]1 670459586 ZHBVDSGDSSTCKG-LBPRGKRZSA-N 275.356 1.881 0 50 CDAA CCc1ccc2ncn([C@@H]3CCCNC3=O)c(=O)c2c1 584897632 LQLBVIUKJIUQJQ-CYBMUJFWSA-N 271.320 1.410 0 50 CDAA O=C(Nc1ccc2c(n1)CCCC2)N[C@H]1C[C@H](C(=O)O)C1 871656905 AKWUTVXRHUNJOJ-XYPYZODXSA-N 289.335 1.945 0 50 CDAA CCCCCN1CCC(=O)N(Cc2cnn(C)c2)C1=O 1875293149 FAGGEXBZUIIGRY-UHFFFAOYSA-N 278.356 1.765 0 50 CDAA Cn1ncnc1C(=O)NCc1ccc(C(C)(C)C)nc1O 1875282738 QKDHFPVTBCRJIT-UHFFFAOYSA-N 289.339 1.143 0 50 CDAA CCNC(=O)NC(=O)[C@@H](SC[C@@H](C)O)c1ccccc1 1875265992 JIMYKSCEBOYELQ-PWSUYJOCSA-N 296.392 1.687 0 50 CDAA Cc1nnsc1[C@@H](C)Nc1cnn(CCO)c1 1875285705 WVAURUQPUJJOFT-SSDOTTSWSA-N 253.331 1.208 0 50 CDAA CC(=O)N1C[C@H](C)[C@H](NC(=O)c2n[nH]cc2C2CCC2)C1 1875344249 IAGFCBFSTJRTLR-TVQRCGJNSA-N 290.367 1.274 0 50 CDAA C[C@@H]1CC[C@@H](C)N1C(=O)CCC1=NNC(=O)CC1 952869663 KZVVPNUXKYJTDE-NXEZZACHSA-N 251.330 1.432 0 50 CDAA O=C(Cn1ccc2ccccc21)N1C[C@@H](O)[C@H](F)C1 952862754 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O=C(N[C@H]1CCO[C@@H]1c1cccnc1)c1cscn1 275288259 AKRBVCWESZUIHS-CMPLNLGQSA-N 275.333 1.798 0 50 CDAA O=C(NCc1ccccc1F)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169306101 ZCWNOFNGHFABLS-TXFQPVFDSA-N 289.306 1.965 0 50 CDAA CC1CCN(S(=O)(=O)N[C@@H](C)C2CCOCC2)CC1 408302364 FYVTUUWZEOKWBE-LBPRGKRZSA-N 290.429 1.368 0 50 CDAA Cc1ccc(NC(=O)N[C@H](CO)C(C)(C)C)c(N(C)C)n1 170072992 CIXZWDYJQLTGQH-GFCCVEGCSA-N 294.399 1.985 0 50 CDAA Cn1cnnc1CN1CCC(C2CCOCC2)CC1 170052329 IOHCFGMBEGKQCA-UHFFFAOYSA-N 264.373 1.454 0 50 CDAA CCOC(=O)c1ccc(N[C@@H]2CCC[C@@H]2O)nc1 170087792 AAPDBPDRRMAJDA-MNOVXSKESA-N 250.298 1.584 0 50 CDAA OC[C@@H](CNc1cc(NC2CC2)ncn1)c1cccnc1 413300096 NBQKIBSOMZSVLK-GFCCVEGCSA-N 285.351 1.634 0 50 CDAA Cc1ocnc1-c1noc(-c2nc3nccc(C)n3n2)n1 225556191 JXFXZUIKUBNHGU-UHFFFAOYSA-N 283.251 1.446 0 50 CDAA O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H](O)C1CCCCC1 188121616 GPMLLEGLEOSUIZ-MELADBBJSA-N 269.385 1.595 0 50 CDAA CCc1nc(CN2C(=O)C[C@H](Cc3ccccc3)C2=O)no1 190752118 OTQQRXJTPLGFPG-LBPRGKRZSA-N 299.330 1.750 0 50 CDAA COC[C@](C)(NC(=O)c1ccc(Cl)c(F)c1)C(=O)O 191099322 ITXPOONEHSEHFG-LBPRGKRZSA-N 289.690 1.699 0 50 CDAA O=C(CCc1cccc2c1OCO2)NC[C@H]1CC[C@@H](O)C1 191177983 IBAMFXWBOYQIBL-WCQYABFASA-N 291.347 1.625 0 50 CDAA O=C(CN1CCCC[C@@H](O)C1=O)NC1CCC2(CC1)CC2 644451394 NSDWCHFLGXHGSV-CYBMUJFWSA-N 294.395 1.199 0 50 CDAA Nc1ccc(CNC(=O)c2ncn(-c3ccccc3)n2)cn1 192030548 ILAGXXXFEOWXTA-UHFFFAOYSA-N 294.318 1.175 0 50 CDAA CCc1cc(=N)[nH]c(SC[C@H]2CCCN(C)C2=O)n1 576122672 IWVVMLIPVRNYDS-SECBINFHSA-N 280.397 1.412 0 50 CDAA CCS[C@H]1CCCCN(C(=O)[C@@H]2CNC(=O)N2C)C1 585132369 UZGAVHVVNBRIAA-QWRGUYRKSA-N 285.413 1.144 0 50 CDAA O=C(c1cnn(-c2ccccc2)n1)N1CCc2ccncc21 779446221 FPLPOQIKBRHTGT-UHFFFAOYSA-N 291.314 1.865 0 50 CDAA CNc1snc(C)c1C(=O)N1CC(C)(C(=O)O)C1 910058071 GNARDDHQLKJPNC-UHFFFAOYSA-N 269.326 1.040 0 50 CDAA CO[C@H]1CN(Cc2cnc[nH]2)C[C@H]1Cc1cc(C)no1 1529159673 XEHKIYWKQPORBB-RISCZKNCSA-N 276.340 1.396 0 50 CDAA c1nnc(N2CCc3[nH]nc(C4CC4)c3CC2)s1 1857696767 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292.423 1.946 0 50 CDAA COc1ccc(Cl)cc1CNCCN1CCOCC1 19872383 KPKSCNMFHDIAGQ-UHFFFAOYSA-N 284.787 1.770 0 50 CDAA Cc1cccc(N2CCN(c3cncc(N)n3)CC2)n1 1857676448 NZQBSPJEIZCIKJ-UHFFFAOYSA-N 270.340 1.089 0 50 CDAA O=C(CCc1ccsc1)N[C@H]1COC2(CCNCC2)C1 1857690368 JDXAHOZBMAJRID-CYBMUJFWSA-N 294.420 1.708 0 50 CDAA CN(CCc1cn[nH]c1)[C@@H]1CCOC2(CCNCC2)C1 1857697453 VQYBMJAEHDYREP-CQSZACIVSA-N 278.400 1.185 0 50 CDAA CC(C)(C)n1ccc(C(=O)N[C@H]2CCCCNC2=O)c1 1857705331 CKWUMMBFXBDICX-LBPRGKRZSA-N 277.368 1.642 0 50 CDAA CS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 6706494 LHXHJEPSKWBZCG-UHFFFAOYSA-N 255.217 1.957 0 50 CDAA COc1cc(OC)nc(Oc2ccccc2C(=O)O)n1 154230 KPJNHFDQZKAJKW-UHFFFAOYSA-N 276.248 1.984 0 50 CDAA in-vitro COc1ccc(C(=O)NC(=S)NC[C@@H]2CCCO2)cc1 316110 PTLPQNFQPNRIRQ-LBPRGKRZSA-N 294.376 1.479 0 50 CDAA C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@@H](C(=O)O)C1 218294783 MXEZJZHAVBMVTB-DGCLKSJQSA-N 288.347 1.371 0 50 CDAA COC(=O)CCc1cccc(NC(=O)c2cc[nH]n2)c1 225526022 UUEOUULLMDGYOY-UHFFFAOYSA-N 273.292 1.768 0 50 CDAA O=C(N[C@H]1C[C@@H]2C[C@@H]2C1)c1cc2c(O)ncnc2cn1 333525765 XBHBEHAOJDKMAG-AYMMMOKOSA-N 270.292 1.259 0 50 CDAA Cc1ccc(CCC(=O)N2CCC[C@@H](C(=O)O)C2)o1 237676371 SQBQIWNWLBHDSS-LLVKDONJSA-N 265.309 1.844 0 50 CDAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(C)c1 353246553 HALGYLKIRYKXOJ-KBPBESRZSA-N 263.337 1.919 0 50 CDAA CC[C@@]1(C(=O)NCc2ccc(CO)c(F)c2)CCNC1 370846140 KKSSQBFSUNLKAI-OAHLLOKOSA-N 280.343 1.324 0 50 CDAA O=C1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)=NN1 30952933 UPDHEXDKZXQBFQ-UHFFFAOYSA-N 275.352 1.193 0 50 CDAA OC[C@@H]1CCCCN(Cc2ccc(-n3cncn3)cc2)C1 377234668 ARSDJROKTIDTRL-OAHLLOKOSA-N 286.379 1.862 0 50 CDAA C[C@@]12C[C@H]1CN(CC(=O)N1CCc3ccccc31)C2 1772810540 JLGSGGPPQNFXTQ-BBRMVZONSA-N 256.349 1.918 0 50 CDAA Cc1nc([C@@H]2CCN(CCc3cnccn3)C2)no1 931936960 SKRYTDCKCTWIKF-LLVKDONJSA-N 259.313 1.200 0 50 CDAA CN(C[C@H](O)CO)C(=O)c1cc(-c2ccccc2)ccn1 935193634 UUGAHHKRBWBWOL-AWEZNQCLSA-N 286.331 1.174 0 50 CDAA O=C(NCCn1cccc1)[C@H]1CC[C@@H](C(=O)O)C1 231763963 BFNXYODOQYDVNB-WDEREUQCSA-N 250.298 1.105 0 50 CDAA CC1(CNS(=O)(=O)c2cccc(F)c2)CCNCC1 129252365 SJEUSIPPDWXGDI-UHFFFAOYSA-N 286.372 1.494 0 50 CDAA COC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O 158315214 AJHOVIYFYRNKMV-SECBINFHSA-N 291.225 1.535 0 50 CDAA Fc1ccc(N2CCN([C@H]3CCCNC3)CC2)cc1 37246731 QTUSPEVNIWRLGQ-HNNXBMFYSA-N 263.360 1.700 0 50 CDAA CCN(Cc1ccccn1)C(=O)[C@@H]1CC(F)(F)CN1 262931960 HYXRTESVMWNRLQ-NSHDSACASA-N 269.295 1.427 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CCCNCC1 534660296 ZFNVKZMXDDJDTO-LBPRGKRZSA-N 264.373 1.075 0 50 CDAA CCCOC[C@@H]1CCN(c2cc(C)nc(N)n2)C1 91551263 MOTWRVDLUMCZJA-LLVKDONJSA-N 250.346 1.620 0 50 CDAA Cc1nnc(CN(C)Cc2cnn(C)c2C)s1 576459485 IKYMASGDILQQJF-UHFFFAOYSA-N 251.359 1.520 0 50 CDAA Cc1nc(C2CCN(Cc3nnc(C)s3)CC2)n[nH]1 371441883 DRCAJOUXOYMTGZ-UHFFFAOYSA-N 278.385 1.653 0 50 CDAA CO[C@@H]1CCCN(Cc2nnc3n2CCCC3)C1 377532670 ZXHIEWQBZMAJGD-LLVKDONJSA-N 250.346 1.225 0 50 CDAA CCOC(=O)c1ncn(CC(=O)c2ccccc2)n1 1775973080 IZIIEFZXAGORAS-UHFFFAOYSA-N 259.265 1.338 0 50 CDAA CC[C@H](C(=O)O)N(C)Cc1nc2c(n1C)CCCC2 2325798366 WDAKGVBDFDZWPQ-LLVKDONJSA-N 265.357 1.594 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C)[C@H]1C[C@](C)(OC)C1(C)C 859750379 PQZWFBKGPSWOGA-NHYWBVRUSA-N 282.384 1.293 0 50 CDAA C[C@H](C(=O)NCc1cc(=O)c(O)co1)N1CCCCCC1 1472229143 KZCSNJGEYZAEIB-LLVKDONJSA-N 294.351 1.226 0 50 CDAA C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)O 166176 KLBAFJQIONZMRJ-LURJTMIESA-N 263.702 1.091 0 50 CDAA CC(C)CNC(=O)C(=O)NCc1ccccc1Cl 2356114 VJFXLVZCMVKYRW-UHFFFAOYSA-N 268.744 1.728 0 50 CDAA CCN(CC)C(=O)C(=O)Nc1ccc(NC(C)=O)cc1 2382557 GIGHZBVPVKLBEW-UHFFFAOYSA-N 277.324 1.452 0 50 CDAA CCCN1Cc2nnc(-c3cnco3)n2[C@H](C)C1=O 2356144314 RFEKUELCAVFDSH-MRVPVSSYSA-N 261.285 1.246 0 50 CDAA CCCOc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 2812078 ICGKOUKNYYVNGH-JTQLQIEISA-N 263.293 1.913 0 50 CDAA COC(=O)[C@@](O)(c1ccc(N)c(OC)c1)C(F)(F)F 3103081 ALUXNDKOCCYMEV-JTQLQIEISA-N 279.214 1.200 0 50 CDAA O=C1OCC[C@H]1Sc1nc2ccccc2c(=O)[nH]1 3984602 DICBSOIWEMJUEY-SECBINFHSA-N 262.290 1.331 0 50 CDAA biogenic CC(C)(C)OC(=O)CN1C(=O)[C@@H](N)CCc2ccccc21 53112900 QTEDVVHLTMELTB-LBPRGKRZSA-N 290.363 1.635 0 50 CDAA in-vitro CN(C(=O)c1ccc2c(c1)OCCCO2)c1cnn(C)c1 173196706 KVORYGXWFSUVSU-UHFFFAOYSA-N 287.319 1.858 0 50 CDAA C=CC(=O)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 863971249 LRSBRCXATGJQMN-AWEZNQCLSA-N 298.346 1.412 0 50 CDAA CN(C)C[C@@H]1CCN(CC(=O)NCC2CCCCC2)C1 113516561 MRJMMBWGEOCFFY-HNNXBMFYSA-N 281.444 1.566 0 50 CDAA Cc1cc(CNC(=O)c2ccc3c(=O)oc(C)nc3c2)no1 20637455 FMICJQCQNSJNCB-UHFFFAOYSA-N 299.286 1.723 0 50 CDAA CCc1cnc([C@H](C)NC(=O)[C@@H]2CCNC2)s1 135286327 POULXGOVLDMYEP-DTWKUNHWSA-N 253.371 1.492 0 50 CDAA Cc1cccc2c(=NC[C@H]3CCN(C)C(=O)C3)[nH]cnc12 425269149 RXJVKYQDKZWJMB-LBPRGKRZSA-N 284.363 1.640 0 50 CDAA Cc1ncsc1COC(=O)[C@H]1CCC(=O)N1C 328593798 KWZGKZRAFQWBHB-MRVPVSSYSA-N 254.311 1.116 0 50 CDAA O=C(NCCNC[C@H]1CC=CCC1)c1ncccc1O 230459360 LINFQBYSYBOKKQ-LBPRGKRZSA-N 275.352 1.463 0 50 CDAA CN1C[C@H](C(=O)Nc2cccnc2)c2ccccc2C1=O 335894599 NKWGLALUSHFYID-AWEZNQCLSA-N 281.315 1.890 0 50 CDAA C[C@H](C(=O)N(C)C)N(C)Cc1cccn1-c1ncccn1 65526078 DOMBKJMDRVLANP-GFCCVEGCSA-N 287.367 1.176 0 50 CDAA O=C(O)CC[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O 170622855 POHZOCSQIHWITM-LLVKDONJSA-N 294.282 1.153 0 50 CDAA Cc1ccc(Cl)cc1N([C@@H](C)C(=O)O)S(C)(=O)=O 20130819 VVZWHMKNTJFJDJ-QMMMGPOBSA-N 291.756 1.888 0 50 CDAA CCn1nncc1C(=O)N(CCOC)[C@H]1CC[C@@H](C)C1 330583384 SITBCJWRTTVRPN-NEPJUHHUSA-N 280.372 1.575 0 50 CDAA COC[C@@H]1CN(CC(=O)NC(C)(C)C)CC(C)(C)O1 330523674 JMKFOVJODVHOGP-NSHDSACASA-N 272.389 1.027 0 50 CDAA CCc1ccccc1O[C@@H](C)C(=O)NCCOC 20494119 NCMUHTOAUGOYBA-NSHDSACASA-N 251.326 1.779 0 50 CDAA O=C(N1CCC[C@@H]([C@@H]2CCCCN2)C1)C(F)(F)F 306254363 OTDXOACONCIDHG-ZJUUUORDSA-N 264.291 1.929 0 50 CDAA Cn1cnnc1NC(=O)Cc1cccc(Cl)c1F 336406091 BYEAJBHTLMRCNE-UHFFFAOYSA-N 268.679 1.789 0 50 CDAA COc1ncccc1C(=O)NC[C@H](C)Oc1cccnc1 67739883 SOMZJAWVAMZMNT-NSHDSACASA-N 287.319 1.683 0 50 CDAA CN1CCN(CC[S@](C)=O)c2ccc(F)cc21 606444198 WIEKADWSIMXZQT-KRWDZBQOSA-N 256.346 1.460 0 50 CDAA C[S@@](=O)C1(CNC(=O)[C@H]2CCCOCC2)CCC1 332683325 KTHNGUMIGIJPNQ-BBATYDOGSA-N 273.398 1.221 0 50 CDAA CC(C)CN1C[C@H](C(=O)N(C)Cc2ccon2)CC1=O 606881644 SVEOGGVPTRCXKJ-LLVKDONJSA-N 279.340 1.138 0 50 CDAA CC(=O)N1CC(Nc2ccc(F)c(C(=O)O)c2)=CC1=O 218489342 JBBSOISOHICTKN-UHFFFAOYSA-N 278.239 1.208 0 50 CDAA O=S(=O)(c1ccsc1)N1CC[C@H](c2nc[nH]n2)C1 333520752 VZNUYIPRCGMCEM-QMMMGPOBSA-N 284.366 1.044 0 50 CDAA NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 130951550 HBBGAADOUCDKHR-CYBMUJFWSA-N 287.363 1.525 0 50 CDAA Cc1noc(C)c1CNc1cc(C2CC(N)C2)nc(N)n1 219364148 QBBSHJSPTBEMPX-UHFFFAOYSA-N 288.355 1.480 0 50 CDAA C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CCCSCC1 128520761 DBRVJZJVVHXAQQ-RYUDHWBXSA-N 288.413 1.329 0 50 CDAA Cc1nc(O)cc(CCNC(=O)CCC(F)(F)F)n1 219455475 BPQCBGBYRRZWSC-UHFFFAOYSA-N 277.246 1.492 0 50 CDAA Cc1nnc(-c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)[nH]1 237566443 QZFMYCHBZYTOHS-JTQLQIEISA-N 285.351 1.214 0 50 CDAA Cc1nc([C@H](C)NC(=O)CN2CCc3ccccc3C2)n[nH]1 215549997 TVMMWVLBZLYFSE-NSHDSACASA-N 299.378 1.349 0 50 CDAA CN1CC(=O)N[C@@H]1c1ccc2c(c1)CCC(C)(C)O2 334604686 LMHDLCJMBYOMEC-AWEZNQCLSA-N 260.337 1.850 0 50 CDAA Cc1ccnc(NCCNc2ncnc3c2CCNCC3)c1 72422935 KKNKQWTXWURNHW-UHFFFAOYSA-N 298.394 1.392 0 50 CDAA CCOCc1nc2c(c(N3CC=CCC3)n1)CCNCC2 72428096 GUSLJDNSSJXBPR-UHFFFAOYSA-N 288.395 1.468 0 50 CDAA C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1C[C@H]1c1ccco1 240897346 ISHYXLRWOVFKRZ-KXNHARMFSA-N 276.336 1.496 0 50 CDAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)c1ccc(F)cc1 241213362 KOIBGVGQXYWDPX-MCIONIFRSA-N 289.306 1.810 0 50 CDAA O=C(O)C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccs1 238142795 GXMRHJOWOBPZFS-BDAKNGLRSA-N 269.322 1.559 0 50 CDAA Cc1cc(=O)cc(C(=O)N2CC[C@H](N3CCCCC3)C2)o1 215748771 LSLJIUFHMLMMLT-ZDUSSCGKSA-N 290.363 1.649 0 50 CDAA CC(C)n1nccc1C(=O)N(C)C[C@@H]1CCOC1 126464139 UGGVUGNDEDARIC-NSHDSACASA-N 251.330 1.573 0 50 CDAA Cn1nccc1C(=O)N[C@@H]1CCc2ccccc2OC1 253393260 LCSKSCUNJVXOLC-GFCCVEGCSA-N 271.320 1.544 0 50 CDAA Cn1ccnc1CNC(=O)N1CCC([C@@H]2CCOC2)CC1 363650731 IIISFJGSHFASSH-CYBMUJFWSA-N 292.383 1.378 0 50 CDAA CN(Cc1cccc(OCC(N)=O)c1)[C@@H]1CCCC[C@@H]1O 216258988 DFXMLALYBQXXPU-CABCVRRESA-N 292.379 1.286 0 50 CDAA COC(C)(C)C[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1O 245590832 AZTWYEWSLWODKO-SDDRHHMPSA-N 272.389 1.793 0 50 CDAA Cc1cc(Br)cc(C(=O)OCC(N)=O)c1 155369855 PNKWAMFWQBILCL-UHFFFAOYSA-N 272.098 1.400 0 50 CDAA CCOC1(C(=O)N2CC(OC(F)F)C2)CCCC1 342505537 HHUMEFIUHHPNMA-UHFFFAOYSA-N 263.284 1.786 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N)cc1 31892842 VVOFSHARRCJLLA-STQMWFEESA-N 268.382 1.543 0 50 CDAA CCOCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C 261946610 NQNUUSGMXXNNNO-DOMZBBRYSA-N 292.379 1.216 0 50 CDAA CCCn1cnnc1[C@H](C)NC(=O)C(C)(C)N1CCCC1 426641538 NABRRZZFLZEHDN-LBPRGKRZSA-N 293.415 1.740 0 50 CDAA Cc1[nH]ccc1C(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 222794596 LNOHMNMVLZIYDR-SUHUHFCYSA-N 288.351 1.299 0 50 CDAA COCCN(Cc1nccs1)C(=O)C[C@@H]1CCCOC1 426495570 DYTDZGAKVJAZLI-LBPRGKRZSA-N 298.408 1.935 0 50 CDAA Cc1ccc(C[C@H]2SC(NC(=N)N)=NC2=O)cc1 84460070 NNOYQGOHZDCZFF-SECBINFHSA-N 262.338 1.019 0 50 CDAA O[C@@H]1COCCN(CCn2ccc3cc(Cl)ccc32)C1 295745795 WYXHWGQWRNGYIU-AWEZNQCLSA-N 294.782 1.988 0 50 CDAA COCc1ncc(CN2C[C@@H](C(=O)O)[C@H](C(C)C)C2)cn1 91519064 HRKISNKGSFLPBP-QWHCGFSZSA-N 293.367 1.412 0 50 CDAA N=c1nc(CNC(=O)c2[nH]c3ccccc3c2Cl)[nH][nH]1 426508140 SSLYKXVMBAUISI-UHFFFAOYSA-N 290.714 1.282 0 50 CDAA CC(C)(C)OC(=O)NCC1(CC(=O)O)CSC1 96024421 SUNWPXHXXDRCFT-UHFFFAOYSA-N 261.343 1.719 0 50 CDAA N[C@H]1CN(C(=O)c2cccc(C(=O)O)c2)C[C@@H]1C1CC1 91708232 BUTPNRJHSXECNT-OLZOCXBDSA-N 274.320 1.194 0 50 CDAA Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2CCNC2)s1 237599312 YLUQNJSLWWOFFQ-GXSJLCMTSA-N 267.398 1.889 0 50 CDAA CC(C)=CC[C@@]1(C(=O)O)CCCN(C(=O)c2cn[nH]n2)C1 91644801 ZLNDDNMFDUDVLC-AWEZNQCLSA-N 292.339 1.468 0 50 CDAA O=C(c1ccc(F)cn1)N1CCC[C@@H](c2ccn[nH]2)C1 182395623 CPBAKSAWBNRLQL-SNVBAGLBSA-N 274.299 1.964 0 50 CDAA C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(=O)O 268908510 QIEKXIAAGCQSNH-IEBDPFPHSA-N 291.303 1.151 0 50 CDAA NC(=O)[C@@H]1CCC[C@@H]1Nc1ncnc2cccc(F)c12 92046404 LYJVLPLPIAAGHE-SCZZXKLOSA-N 274.299 1.835 0 50 CDAA Cc1ncn(CCNC(=O)CCN2CCCCC2=O)c1C 244787937 QGPBYPDRGMAWIC-UHFFFAOYSA-N 292.383 1.019 0 50 CDAA CN(CCC(=O)NCc1cccs1)CC1(C)COC1 243932266 BTXPMRWAXMYHGV-UHFFFAOYSA-N 282.409 1.723 0 50 CDAA C[C@H](c1cnccn1)N1CCC(Nc2cccnn2)CC1 184517266 DEIGVEMJFLRALU-GFCCVEGCSA-N 284.367 1.904 0 50 CDAA Cc1nc(CN2[C@H]3CC[C@@H]2[C@@H]2CNC[C@@H]23)c(C)s1 534646636 ZTHXNEQWLLCMJE-WVKUQDAKSA-N 263.410 1.942 0 50 CDAA Cc1nnc(N2CC3(COc4ccccc4C3)C2)o1 1940195780 MDXXZXCXUSVGGT-UHFFFAOYSA-N 257.293 1.820 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](C)(O)CO2 575447817 BVUYXBAWQFGQIX-CYBMUJFWSA-N 271.357 1.927 0 50 CDAA CC(C)N1CCC(CNC(=O)C[C@H]2CCOC2)CC1 584890219 OYASTOAQHHUPCA-CQSZACIVSA-N 268.401 1.650 0 50 CDAA CC(C)(CN[C@H]1CCNC(=O)CC1)N1CCCC1 584897077 DZEYVTNXSDSKHU-GFCCVEGCSA-N 253.390 1.119 0 50 CDAA CO[C@H]1CN(C(=O)NC2(c3ccccc3C)CC2)C[C@@H]1O 584901896 BAVPKEPRWIDGCP-KBPBESRZSA-N 290.363 1.385 0 50 CDAA CO[C@@H]1CCN(C2CCN(Cc3ccco3)CC2)C1 670453313 UTNYKCKRUBVDOS-CQSZACIVSA-N 264.369 1.965 0 50 CDAA C[C@@H](CCc1ccccc1)NCCc1nnc(O)n1C 670469491 FHYHBEFBXFTWKK-LBPRGKRZSA-N 274.368 1.674 0 50 CDAA COCC[C@H]1CN(Cc2nc(C)c(C)n2C)CCO1 670474092 ZRBXUZAETWVPOV-ZDUSSCGKSA-N 267.373 1.274 0 50 CDAA O=C(c1ccoc1)N1CCCN([C@@H]2CCSC2)CC1 670460752 GMEAWQYAJVFYAA-CYBMUJFWSA-N 280.393 1.933 0 50 CDAA CCOc1ncccc1C(=O)N1CC[C@H]([C@@H](F)C(=O)O)C1 1548596599 BMGUCDSSZZSYER-GXSJLCMTSA-N 296.298 1.365 0 50 CDAA Cc1cc(=NC(=O)[C@H]2CCCN(C)C2)[nH]n1-c1ccccc1 1875256305 YKNGARDEGHXSBR-AWEZNQCLSA-N 298.390 1.883 0 50 CDAA CCNC(=O)N[C@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 1875273593 OEDXXWKYRRKBOA-HTRCEHHLSA-N 276.262 1.690 0 50 CDAA O=S(=O)(c1ccc(CF)cc1)N1C[C@H]2CC[C@H]1CN2 1875283854 FUOAMODAOIWUKL-NEPJUHHUSA-N 284.356 1.281 0 50 CDAA Cc1nc(=NC(=O)C2=NO[C@@H](C)C2)[nH]n1-c1ccccc1 1875318727 UKNVSSIOPOXXIV-VIFPVBQESA-N 285.307 1.101 0 50 CDAA Cn1cc(C[N@]2C[C@H]2COc2ccc3c(c2)C(=O)OC3)cn1 1875378416 CQMMADRLMYWRDI-ORAYPTAESA-N 299.330 1.354 0 50 CDAA C[C@H](NC(=O)Cn1c(C(C)(C)C)noc1=O)c1ccco1 1875391561 BXHQVQRERRDRTP-VIFPVBQESA-N 293.323 1.604 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 1875339703 UUNNSCRTVFCVBH-UPJWGTAASA-N 259.305 1.869 0 50 CDAA CN(C(=O)[C@@H]1CC1(C)C)C1CCS(=O)(=O)CC1 952981088 GMNCURSOXAPQQJ-JTQLQIEISA-N 259.371 1.068 0 50 CDAA Cc1[nH]nc(CNCCN=c2cc[nH]cc2C)c1Cl 952983084 OEBCSYJVHURUPL-UHFFFAOYSA-N 279.775 1.699 0 50 CDAA OC[C@@H]1CCCCN1CCNCc1ccc(F)cc1F 952964832 QPPGXEXWHAFUJV-AWEZNQCLSA-N 284.350 1.901 0 50 CDAA CC(C)[C@@H](N)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 958528425 OPCBBJZQVXDNLK-MFKMUULPSA-N 258.362 1.342 0 50 CDAA CCO[C@H]1C[C@@H](NC(=O)c2nc[nH]c2C(F)(F)F)C1 1412216416 LEORPDOIMCZTRK-KNVOCYPGSA-N 277.246 1.726 0 50 CDAA C/C(=C\Cl)CS(=O)(=O)Cc1nnc2n1CCCC2 899496897 PMRMLESDPLOCCK-RMKNXTFCSA-N 289.788 1.672 0 50 CDAA c1cc(-c2noc(Cc3nc(C4CC4)n[nH]3)n2)ccn1 1775991546 GUKWGVIVWRSLEW-UHFFFAOYSA-N 268.280 1.718 0 50 CDAA 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1.257 0 50 CDAA CCCc1nnc(NC[C@@H](CO)Cc2ccco2)o1 95385871 DKMUBUNOONCOSY-JTQLQIEISA-N 265.313 1.878 0 50 CDAA c1cc2c(cc1Cn1cc([C@@H]3CCOC3)nn1)OCO2 91575036 PEFZRIQOIJUSKH-LLVKDONJSA-N 273.292 1.559 0 50 CDAA Cn1cncc1C(=O)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 244817234 SWVURHLZOJPXSP-UHIISALHSA-N 286.335 1.057 0 50 CDAA CC[C@H](NS(=O)(=O)c1cccc(OC)c1)[C@H]1C[C@H](O)C1 244872791 WELSTTUVMKUKHW-MJVIPROJSA-N 299.392 1.523 0 50 CDAA O=C(c1ccc2nccn2c1)N1CCC[C@H]1Cn1ccnn1 299742107 GXNDEASKMIKNOE-ZDUSSCGKSA-N 296.334 1.231 0 50 CDAA CCO[C@@H]1C[C@H]1C(=O)N(C[C@H](C)C(=O)O)C1CC1 299739754 AQODPSHLNDCDCH-JMJZKYOTSA-N 255.314 1.123 0 50 CDAA O=C(C[C@@H]1CCOC1)N1CC(Oc2ccccc2)C1 606840984 IXBOCAOAOGKLMY-LBPRGKRZSA-N 261.321 1.703 0 50 CDAA CC(=O)OC[C@@H]1[C@H](COC(C)=O)[C@H]2[C@H]3[C@@H]4[C@H]5[C@@H]([C@@H]52)[C@@H]1[C@H]43 253488334 AHCRTLMRMORPHT-KYPYEOJQSA-N 276.332 1.343 0 50 CDAA Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2N 534633055 GEZOWOWBBOFHPQ-YABSGUDNSA-N 298.383 1.492 0 50 CDAA Cc1ccc(C(=O)NCc2n[nH]c(=N)s2)n1C(F)F 534578573 MXGHDVFRHPGTOG-UHFFFAOYSA-N 287.295 1.386 0 50 CDAA CCOC(=O)[C@H](C)OC1CN(C(=O)OC(C)(C)C)C1 260207034 RWVIBLCKDZWTFI-VIFPVBQESA-N 273.329 1.574 0 50 CDAA O=C(NCCc1nc(=O)o[nH]1)c1ccc2c(c1)CCCC2 280077536 KENAZHRCIFRTRY-UHFFFAOYSA-N 287.319 1.214 0 50 CDAA Cc1scnc1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 299757017 GXJVNHIDSVDFDN-STQMWFEESA-N 291.380 1.389 0 50 CDAA CC(C)SCCN1CC[C@H]2[C@H](C1)OCc1cnnn12 299778405 GHJVBUHZAJRIBQ-STQMWFEESA-N 282.413 1.565 0 50 CDAA C[C@H](c1ccncn1)N(C)C(=O)c1c2c(nn1C)CCCC2 299787638 PZLMOMVSGJKZPE-LLVKDONJSA-N 299.378 1.922 0 50 CDAA CCCCc1ccc(NC(=O)NC[C@@]2(O)CCNC2)cc1 299783701 XPJKEYPNIZRLCU-MRXNPFEDSA-N 291.395 1.875 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@@H](C)c2nc(C)sc2C)n1 299759274 PTXDJFRAWISTGM-QMMMGPOBSA-N 293.396 1.724 0 50 CDAA O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCCC[C@H]12 828321130 IXEMCQZKCHQACK-LSDHHAIUSA-N 297.358 1.590 0 50 CDAA Cc1nonc1CN(C)C[C@H]1CCN(C(C)C)C1 823719829 KWSPDGIPKOOORS-GFCCVEGCSA-N 252.362 1.540 0 50 CDAA CC(C)n1cnnc1[C@@H](C)NC(=O)N(C)CC1(C)COC1 827879880 HGVFMGBBZLIOSC-LLVKDONJSA-N 295.387 1.598 0 50 CDAA CN(C)CC(C)(C)Cn1cnc2ccncc2c1=O 584889567 SRDJHEVLILEXFY-UHFFFAOYSA-N 260.341 1.379 0 50 CDAA COc1c(F)cccc1CN(C)Cc1nncn1C 670445411 ZNLWKFMMZKKXBN-UHFFFAOYSA-N 264.304 1.595 0 50 CDAA CN1C[C@@]2(CCN(CC3=CCCCC3)C2)OCC1=O 670428822 AYGLBVKZUOIAHR-OAHLLOKOSA-N 264.369 1.420 0 50 CDAA CCn1nc(C)c([C@@H](C)NC(=O)c2cncn2C)c1C 584889558 LWHGBXVWVKWSCM-SECBINFHSA-N 275.356 1.744 0 50 CDAA Cc1ccnc(N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)n1 585132676 KWEIONVVFKOYIZ-OLZOCXBDSA-N 293.754 1.945 0 50 CDAA CNC(=O)C[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C1 670447826 VSYDAVLOTWOOSG-CYBMUJFWSA-N 290.363 1.416 0 50 CDAA O=C(Nc1cn[nH]c1)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 682358536 HRGZOQHKCXFILG-FNCVBFRFSA-N 275.230 1.704 0 50 CDAA CN(C)c1ccc(CNC(=O)c2cc(Cl)no2)cn1 873985895 FHKVXTCXKPNROC-UHFFFAOYSA-N 280.715 1.719 0 50 CDAA O=C(CC1CCC=CCC1)N1CCS(=O)(=O)CCO1 1875276410 DKJCXIYXRDGYEU-UHFFFAOYSA-N 287.381 1.312 0 50 CDAA CC1(CCC(=O)NCC2CCN(CCO)CC2)CC1 952868748 SOKJIRMHTAPPHI-UHFFFAOYSA-N 268.401 1.387 0 50 CDAA COCCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1C 952973377 IRRFGIXPYUMDRI-HNNXBMFYSA-N 294.370 1.895 0 50 CDAA CCC[C@@H](C)C(=O)NS(=O)(=O)Oc1ccccc1 1775996852 KRYBINSFFGZBHW-SNVBAGLBSA-N 271.338 1.863 0 50 CDAA Cc1nc2c(C(=O)N[C@@H]3C[C@H](N)C34CCC4)ccnc2[nH]1 1775961359 VEMUOABLJMIZER-WDEREUQCSA-N 285.351 1.266 0 50 CDAA C[C@H](CC(=O)N(C)Cc1noc(C2CC2)n1)n1cccn1 579944428 SIIPAPZVZNRBRL-SNVBAGLBSA-N 289.339 1.753 0 50 CDAA COc1nc(C)ccc1C(=O)Nc1nnc(C)n1C1CC1 671597204 HZVWGXCLQWFPLJ-UHFFFAOYSA-N 287.323 1.886 0 50 CDAA COc1ccc(Br)cc1S(C)(=O)=O 82163847 XMGUUWRHYPQTHF-UHFFFAOYSA-N 265.128 1.861 0 50 CDAA in-vitro CCc1nn(C)cc1NC(=O)NCc1c[nH]nc1C 274159867 USFVGLRALXFKCV-UHFFFAOYSA-N 262.317 1.336 0 50 CDAA O=C(NC(C1CC1)C1CC1)c1c[nH]nc1[C@@H]1CCOC1 275249614 GIELZPLABPOPBW-LLVKDONJSA-N 275.352 1.832 0 50 CDAA CC[C@H]1OCCC[C@H]1C(=O)N(C)c1ccn(C)n1 277523860 RZUOXURUGLCGBO-GHMZBOCLSA-N 251.330 1.588 0 50 CDAA CO[C@H]1CCN(C(=O)c2ccc(C(C)=O)cc2)[C@H](CN)C1 170073187 DULVJIWDSMQPJX-GJZGRUSLSA-N 290.363 1.468 0 50 CDAA C[C@@H]1C(=O)N(C)CCN1c1nc(C2CC2)ns1 170085521 LFXNZWNPZNWXFD-SSDOTTSWSA-N 252.343 1.082 0 50 CDAA CCCc1nc(Cn2cnc3cnccc3c2=O)no1 170603018 YNSFYLKWTGNLIO-UHFFFAOYSA-N 271.280 1.175 0 50 CDAA O=C(O)CSc1ncn(-c2ccc(F)cc2)c1CO 170624841 MUDRGJFNGCPKPL-UHFFFAOYSA-N 282.296 1.680 0 50 CDAA COC(=O)[C@@H]1C[C@H]1C(=O)Nc1nnc(C(F)(F)F)s1 170752867 XYYITOHOWCIYBL-QWWZWVQMSA-N 295.242 1.305 0 50 CDAA COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(OCC(C)C)CC1 170762388 WLYFOWKBPGTXMS-QWHCGFSZSA-N 283.368 1.459 0 50 CDAA CCOc1ccc(NC(=O)N2C[C@@H](N)C[C@H]2C)nc1C 632957386 XSLQJDVQZBKXKO-KOLCDFICSA-N 278.356 1.742 0 50 CDAA O=C(COCC1CC1)Nc1ccc(O)c(C(=O)O)c1 633138729 VPTLCYXEAVYJDQ-UHFFFAOYSA-N 265.265 1.456 0 50 CDAA CSC[C@@H](C)C(=O)N1CC[C@@H](c2cc(O)n[nH]2)C1 585129973 DBWOYABQRCUJIP-RKDXNWHRSA-N 269.370 1.430 0 50 CDAA CCc1cnc(CC(=O)N2CCCN(C)C[C@@H]2CC)[nH]1 635884239 GNDRGMAMPQYOSZ-ZDUSSCGKSA-N 278.400 1.457 0 50 CDAA Cc1cc(C(=O)N2CCO[C@H](C)[C@H]2c2nc(C)no2)on1 408055903 YAKBLWHEGZNUBS-KCJUWKMLSA-N 292.295 1.277 0 50 CDAA CC(C)c1nnc2n1CCN(Cc1cn(C)nn1)[C@@H]2C 408420745 ZQEBEVHAIUEAEK-SNVBAGLBSA-N 275.360 1.107 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)[C@H]2CCCOC2)C12CCC2 408520044 RDKTWEZQYDGTSP-SDDRHHMPSA-N 253.342 1.487 0 50 CDAA CN(C(=O)[C@H]1COc2cc(F)ccc2C1)C1(CN)CCC1 638261713 ISLOXWIVNLSSRF-GFCCVEGCSA-N 292.354 1.717 0 50 CDAA CC1=C(C)CN(C(=O)CN2CCCCC2=O)CC1 225469724 PUAGXUIXHIHHAJ-UHFFFAOYSA-N 250.342 1.568 0 50 CDAA CCN1CC(=O)N[C@@H]1c1cccc(OC)c1OC 189896559 WXWDVCYBOSMMMF-ZDUSSCGKSA-N 250.298 1.154 0 50 CDAA NC(=O)CN1CCC[C@H](c2cc(F)ccc2F)C1 191680244 OCDXSUFCSDIEDG-VIFPVBQESA-N 254.280 1.630 0 50 CDAA O=C1Cc2c(C(=O)N3CCCCCC3)ccnc2N1 665059376 ZZQISXRBYQNWIR-UHFFFAOYSA-N 259.309 1.592 0 50 CDAA COc1ccccc1OCCSc1nnc(CN)n1C 88402435 AHCORMOREKCSAQ-UHFFFAOYSA-N 294.380 1.454 0 50 CDAA O=C(/C=C/c1ccco1)NC(=S)N1CCSCC1 324682 YSCJVISGUSJPEY-ONEGZZNKSA-N 282.390 1.743 0 50 CDAA C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@H]2CCOC2)C1 225398674 SJXIOGCVYXQCCV-OLZOCXBDSA-N 268.401 1.650 0 50 CDAA COc1ccc(-c2noc(CCCCC(N)=O)n2)cc1 225404795 QWJFGUGCMZMGBL-UHFFFAOYSA-N 275.308 1.943 0 50 CDAA Cc1oc(C(C)C)nc1C(=O)N1CCC[C@@](O)(CO)C1 622689662 NVGBUGPUPFPGNI-AWEZNQCLSA-N 282.340 1.066 0 50 CDAA CC1CCC(=CC(=O)N2CCO[C@H](C(=O)O)C2)CC1 236656156 JGKWZJQFHNFONZ-KFJBMODSSA-N 267.325 1.435 0 50 CDAA COC(=O)c1cncc(CNc2nc(C)ns2)c1 1615586198 RCGUMEPVOWZNQL-UHFFFAOYSA-N 264.310 1.640 0 50 CDAA CCc1ccccc1-n1cc(C(=O)N(C)C2COC2)nn1 1615585775 DXSAMPSTKDPVQL-UHFFFAOYSA-N 286.335 1.301 0 50 CDAA O[C@]1(CCN=c2c(F)c[nH]cc2Cl)CCCOC1 1857530680 AFNGOHMDMDINNZ-LBPRGKRZSA-N 274.723 1.640 0 50 CDAA CS(=O)(=O)Cc1ccc(-c2cncc(O)c2)nc1 1857737899 ILFFTMJQCXOFOR-UHFFFAOYSA-N 264.306 1.394 0 50 CDAA COc1ccnc(N2CCN(C(=O)C3CC3)CC2)c1 264186023 NJOJZAPULZTWHG-UHFFFAOYSA-N 261.325 1.149 0 50 CDAA CCC[C@H](NC(=O)c1ccc2cncn2c1C)C(N)=O 1647193415 FIYMGQIUZJERAK-LBPRGKRZSA-N 274.324 1.027 0 50 CDAA CCN1CCn2c(Cc3c[nH]c4ccccc34)nnc2C1=O 1772809777 DRQFPNVMKWCBPM-UHFFFAOYSA-N 295.346 1.826 0 50 CDAA OCc1nc2ccc(-n3ccnc3[C@H]3CCOC3)cc2[nH]1 1775978109 LSANEYNHAUGVRF-JTQLQIEISA-N 284.319 1.745 0 50 CDAA CC[C@H](C(=O)O)S(=O)(=O)c1ccc(C(=O)O)cc1 5954022 WKLJEXGGVMIWEB-SECBINFHSA-N 272.278 1.022 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccccc2NS(C)(=O)=O)C1 13672611 XNOZERLRCMADOP-NSHDSACASA-N 296.392 1.930 0 50 CDAA CCc1ccc(CN2CC3(CNC(=O)N3C)C2)s1 1857708331 OFXPFDCXMIRKKG-UHFFFAOYSA-N 265.382 1.520 0 50 CDAA CSCC[C@@H](NC(=O)N1C[C@@H](C)C[C@@H](C)C1)C(=O)O 15970114 OVFIUQGJCHMKMT-OUAUKWLOSA-N 288.413 1.880 0 50 CDAA O=C(CCNC(=O)c1cccs1)Nc1nccs1 19161676 UWQMCPMUMXRVHL-UHFFFAOYSA-N 281.362 1.963 0 50 CDAA O=C(/C=C/c1ccc(Cl)cc1)NCCN1CCOCC1 19720611 OXXYAQMRHNUGGX-ZZXKWVIFSA-N 294.782 1.802 0 50 CDAA COc1nc(C)cc(C)c1CNC(=O)c1c[nH]c(C)n1 19731116 GSKVIIGDTVVTRC-UHFFFAOYSA-N 274.324 1.669 0 50 CDAA CC(C)n1ncc(C(=O)O)c1I 162124218 JITAJYTVAWNICE-UHFFFAOYSA-N 280.065 1.767 0 50 CDAA Cc1cc2n(n1)CCN(C(=O)CSc1nccn1C)C2 1857682573 WNBHBEGDKWTCRL-UHFFFAOYSA-N 291.380 1.060 0 50 CDAA Cc1cc(N2CC[C@](C)(O)C2)nc(-c2cccnc2)n1 301489686 LOPLBDZUPLJILO-HNNXBMFYSA-N 270.336 1.808 0 50 CDAA Cc1cc(CO)cc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1 408524001 PGMDBRVSCVPIAQ-RISCZKNCSA-N 262.353 1.886 0 50 CDAA COc1cc(F)cc(-c2nc(=NCCC(=O)O)o[nH]2)c1 629765177 YMBSBXJXFOJZIZ-UHFFFAOYSA-N 281.243 1.193 0 50 CDAA CC[C@@H](CNC(=O)[C@@H]1CSCN1)Oc1ccccc1C 121837315 UZQLTTQKMYZHRD-STQMWFEESA-N 294.420 1.931 0 50 CDAA O=C(c1ccc2cc[nH]c2n1)N1CC[C@@]2(CCOC2)C1 329282752 NAFBMIGGNPDTKB-OAHLLOKOSA-N 271.320 1.816 0 50 CDAA COC(=O)[C@](C)(CNC(=O)N1CCC1)c1ccccc1 240897305 ISBASJZHGUGGSM-OAHLLOKOSA-N 276.336 1.533 0 50 CDAA OC[C@@H](O)C1CCN(CCOc2ccccc2)CC1 1772708047 CIIMJOXUZRGORY-OAHLLOKOSA-N 265.353 1.131 0 50 CDAA Cc1cc(Cn2cc([C@H](O)Cc3ccccc3)nn2)no1 849141532 ATTNATJGQZFEPF-OAHLLOKOSA-N 284.319 1.899 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccsc1)C2 1704325428 LJBTWXFEZJCSRO-STQMWFEESA-N 280.393 1.080 0 50 CDAA COCC1(C(=O)Nc2cccc3nn[nH]c23)CCOCC1 908698811 CLQMRFJNBWIAMP-UHFFFAOYSA-N 290.323 1.340 0 50 CDAA O=C(NOCc1ccccn1)[C@H]1CCCn2nccc21 909543643 IEFSSWPCSOYWRS-LBPRGKRZSA-N 272.308 1.404 0 50 CDAA CN1CCC(CC(=O)Nc2nn(C)cc2Cl)CC1 925805236 RLWCILQCZQFFRL-UHFFFAOYSA-N 270.764 1.744 0 50 CDAA Cc1[nH]nc2c1CCCN2Cc1ncnn1CC(C)C 934312696 ZEVQJVULRWCVIK-UHFFFAOYSA-N 274.372 1.918 0 50 CDAA O=S(=O)(NCC[C@H]1CCNC1)c1cc(F)ccc1F 110797219 GSOWMTIIIIBNON-SECBINFHSA-N 290.335 1.243 0 50 CDAA O=C(O)[C@H]1[C@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc(F)c1 169616540 HQZWLGTTYNKBIB-WYUUTHIRSA-N 277.251 1.418 0 50 CDAA COCC1(C(=O)N2CCC[C@@H](CCC(=O)O)C2)CCC1 263516967 FDCLATHPRUAULG-LBPRGKRZSA-N 283.368 1.907 0 50 CDAA C[C@@H]1CN(Cc2cc(-c3ccccc3)on2)CC(=O)N1 296152722 JUQPRLXCRAJNPT-LLVKDONJSA-N 271.320 1.662 0 50 CDAA O=C(O)[C@@H]1COCCN(Cc2cc3ccccc3o2)C1 700455518 CCFGBYXFCZPGGD-LBPRGKRZSA-N 275.304 1.966 0 50 CDAA Nc1ccc2[nH]c(=NCC3(CO)CCOCC3)sc2c1 408516863 ZFCHNXOSNKYDLF-UHFFFAOYSA-N 293.392 1.501 0 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C[C@H]1CN(C(=O)c2ccco2)CCN1C(=O)c1ccco1 308682 OVUGQSAUSFOETN-NSHDSACASA-N 288.303 1.859 0 50 CDAA CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(N)=O 309502 RQPHCCKFWKNWNX-UHFFFAOYSA-N 279.365 1.645 0 50 CDAA CC(=O)OCCN(CCOC(C)=O)c1ccc(C=O)cc1 1568758 HYLXLGFSGXFLFE-UHFFFAOYSA-N 293.319 1.432 0 50 CDAA Cc1nc(=Nc2cccc(N3CCN(C)C3=O)c2)[nH]n1C 2356141584 ICSHXJYORUMIEL-UHFFFAOYSA-N 286.339 1.161 0 50 CDAA CCOC(=O)CNC(=S)Nc1ccc(F)cc1 2571590 YQFPVIBQSGHPKU-UHFFFAOYSA-N 256.302 1.675 0 50 CDAA O=C1Nc2ccccc2/C1=C/NCCCn1ccnc1 6681985 SYIDKULQJVVKGA-RAXLEYEMSA-N 268.320 1.856 0 50 CDAA Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)c1 101115597 SEXDDVCKKZIAFB-FDYHWXHSSA-N 255.273 1.438 0 50 CDAA O=C1CC[C@H](C(=O)N2CCC[C@H]3CCC[C@@H]32)CN1 227863254 RCBFWNFQBIZNQK-WOPDTQHZSA-N 250.342 1.304 0 50 CDAA CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C[C@@]23C=C[C@H]1O3 100833467 HAAXOVZVIGJHJY-WBOJAVRRSA-N 299.326 1.536 0 50 CDAA CO[C@@H]1CN(C(=O)CSCC(C)=O)CC[C@H]1C 427480840 RESGVSHSAFJFRQ-MWLCHTKSSA-N 259.371 1.192 0 50 CDAA CCN(Cc1nc(COC)no1)Cc1[nH]cnc1C 55167966 OLNUJRROEMFGNX-UHFFFAOYSA-N 265.317 1.270 0 50 CDAA COC[C@@H](C)NS(=O)(=O)c1cc(F)ccc1OC 10302103 PSOZAASNOCVKNU-MRVPVSSYSA-N 277.317 1.148 0 50 CDAA C[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(C)c3ccccc32)C1 101261365 KFAODQBIWKOKBZ-SIVJFFJCSA-N 273.332 1.856 0 50 CDAA Cc1[nH]c2ccccc2c1C(=O)CN1CCC(C(N)=O)CC1 54201795 GOIFAHJRZQPOBV-UHFFFAOYSA-N 299.374 1.856 0 50 CDAA CN1C(=O)N[C@@](Cc2ccccc2)(C2CCNCC2)C1=O 67883631 GRMLZSWAEWMJPX-INIZCTEOSA-N 287.363 1.149 0 50 CDAA CN(Cc1ccco1)C(=O)c1nc2ccccc2c(=O)[nH]1 20820672 LVFUDLXSKUHXIL-UHFFFAOYSA-N 283.287 1.788 0 50 CDAA CSCCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1 67855821 GRNHRVGIUDPTPC-UHFFFAOYSA-N 294.420 1.953 0 50 CDAA CCC1(CC)CN(C(=O)[C@H]2CCN(CCOC)C2)CCO1 65419853 GANFBFLVIALRKU-AWEZNQCLSA-N 298.427 1.372 0 50 CDAA C[C@]1(NCC(=O)O)CCN(CCCOc2ccccc2)C1 328603945 HQDRISQGQSFBRI-INIZCTEOSA-N 292.379 1.594 0 50 CDAA CCCNC(=O)c1cccc(N(C)S(C)(=O)=O)c1 65365430 YWMMICVPNPOMDX-UHFFFAOYSA-N 270.354 1.222 0 50 CDAA O=C1c2ccc(-n3cnnc3)cc2C(=O)N1C[C@@H]1CCCO1 65504371 IRGXWCVAMDZTEM-NSHDSACASA-N 298.302 1.042 0 50 CDAA CC[C@H]1CN(C(=O)Nc2ccncn2)C[C@@H](CC)O1 333625384 ADPZKHMBTSXNOG-PHIMTYICSA-N 264.329 1.898 0 50 CDAA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CNCCO2)C1 237488924 OBMWJTAAOCXTGY-UGFHNGPFSA-N 292.354 1.724 0 50 CDAA CNC(=O)[C@H]1CCCCN1C(=O)Cc1nc(C)sc1C 129806827 POBJVJFDVGKPEW-GFCCVEGCSA-N 295.408 1.430 0 50 CDAA O=C(N=c1cc[nH][nH]1)[C@@H]1CCCN1c1ccccc1 336043887 QCJZAWUDAHWZRC-LBPRGKRZSA-N 256.309 1.439 0 50 CDAA CCCc1cnc(C)nc1N1CC[C@@H](N)[C@@H](OC)C1 71639714 JLFUHZYTFKRLPY-OLZOCXBDSA-N 264.373 1.290 0 50 CDAA Cc1cc(NCCc2c[nH]cn2)n2nc(C)cc2n1 72422929 KESJFOWLTDHZBN-UHFFFAOYSA-N 256.313 1.724 0 50 CDAA Cn1c(O)nc(=O)c2nc(/C=C/c3ccccc3)c(O)nc21 253536297 RLYPSMSVNQEEGY-BQYQJAHWSA-N 296.286 1.305 0 50 CDAA CN(C(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccccn1 363182155 QOUUXUPYPDVJRX-CYBMUJFWSA-N 297.362 1.751 0 50 CDAA Cc1cccc(CN2CCC[C@@](O)(CN(C)C)CC2)n1 72168518 QJDJSENTGOJDKT-INIZCTEOSA-N 277.412 1.669 0 50 CDAA COc1cnc(C(=O)N2CCO[C@@H](c3ccco3)C2)nc1 342547992 POYZMVSNNYBMCB-GFCCVEGCSA-N 289.291 1.292 0 50 CDAA CCn1cc(N[C@H]2CCN(C3CCOCC3)C2=O)cn1 368347712 XGHBMWILSWYQFV-ZDUSSCGKSA-N 278.356 1.095 0 50 CDAA O=C([C@@H]1CCCN1CCO)N1CCC[C@@H]1C1CCCC1 371154263 JJIHVIFJABARIH-CABCVRRESA-N 280.412 1.624 0 50 CDAA O=C(N1CCC[C@@H](CO)C1)C1(C2CC2)CCOCC1 372079060 VRZVQZXHPFJTNP-GFCCVEGCSA-N 267.369 1.424 0 50 CDAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CCCNC3)C2)no1 158643345 YNJPHMDIKOKMNE-STQMWFEESA-N 292.383 1.159 0 50 CDAA O=C([C@@H](O)c1ccc(F)cc1)N1CC(c2ccncc2)C1 72130619 MLEZMOAKWIIKCI-HNNXBMFYSA-N 286.306 1.880 0 50 CDAA COCCC1(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 263264778 NFYVTGLWXSDJFC-CYBMUJFWSA-N 291.347 1.615 0 50 CDAA COCCN(Cc1cccnc1)C(=O)[C@@H](C)n1cccn1 75560818 ZFDXTZOCMAFWOP-CYBMUJFWSA-N 288.351 1.514 0 50 CDAA COC[C@H]1CN(C(=O)Nc2ccsc2)CCO1 177699714 WMLRAQMCQDVKKU-SNVBAGLBSA-N 256.327 1.627 0 50 CDAA Cn1cc([C@H](NC(=O)CC2=CCCC2)[C@H]2C[C@H](O)C2)cn1 222254724 BIOOZJQRLCPLCQ-IVMMDQJWSA-N 289.379 1.849 0 50 CDAA CCc1[nH]nc(C(=O)NCc2ccc(C(=O)O)o2)c1C 426730376 HMFGFFVJQITCSS-UHFFFAOYSA-N 277.280 1.502 0 50 CDAA CCCO[C@H](C)C(=O)NCc1cnn(C(C)C)c1 222568948 WFKATZJHPDDIFV-LLVKDONJSA-N 253.346 1.895 0 50 CDAA CNC[C@H]1CCN(C(=O)COc2ccccc2Cl)C1 178994526 BBPFUAIJFCBKMW-LLVKDONJSA-N 282.771 1.787 0 50 CDAA O[C@H]1CN(Cc2ccco2)C[C@@H]1N1CCCCC1 97679960 JFNXTLSZEGBUGK-KBPBESRZSA-N 250.342 1.311 0 50 CDAA CCCN(CC1CC1)C(=O)c1cnc2ccccn2c1=O 338145351 VWUBKADFTHHFPX-UHFFFAOYSA-N 285.347 1.957 0 50 CDAA CC[C@H](CSC)NC(=O)N1C[C@@H](C)O[C@H](C)C1 181492180 VRUCDFZQGPAGGV-GMTAPVOTSA-N 260.403 1.947 0 50 CDAA CCc1cc(N2CCc3[nH]nc(C(=O)OC)c3C2)ncn1 95366045 OASUYPWUOUITHS-UHFFFAOYSA-N 287.323 1.111 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)NCc1nc2cc(F)ccc2[nH]1 236896407 WXIZCPGOENVQEC-SDBXPKJASA-N 278.331 1.692 0 50 CDAA COc1ccc(-c2cn([C@H](CO)CC(C)C)nn2)cn1 95352188 BUMALUZXLTVEHM-LBPRGKRZSA-N 276.340 1.928 0 50 CDAA Cc1cnc(N)nc1N[C@@H]1CCOC2(CCOCC2)C1 91724437 ZRWPKEAKNLGMME-LLVKDONJSA-N 278.356 1.507 0 50 CDAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 237453186 UPCGQYDCLLRISX-JSGCOSHPSA-N 299.378 1.467 0 50 CDAA COCCc1noc(C2CCN(C(=O)C3CCC3)CC2)n1 96142351 LRMFTRWRXUSAPN-UHFFFAOYSA-N 293.367 1.765 0 50 CDAA CC1(C)CNC(=O)c2nc([C@@H](O)c3ccccc3)[nH]c2C1 95353505 QRZXTSZSXDNUSL-ZDUSSCGKSA-N 285.347 1.804 0 50 CDAA COCC1(C(=O)NCc2cccc(OC)c2OC)CC1 97813675 XYZNMMKFQOKUEG-UHFFFAOYSA-N 279.336 1.747 0 50 CDAA COc1ccc(-c2cnn([C@H](C)C(N)=O)c2)cc1F 96165227 NMNNSHKCWQGULC-MRVPVSSYSA-N 263.272 1.744 0 50 CDAA CC(=O)NCC(=O)N[C@H](C)c1nc2cc(C)ccc2[nH]1 244774216 PPTNNLLFFABYFO-SECBINFHSA-N 274.324 1.185 0 50 CDAA CN(CCC[C@H]1CCCO1)CC(=O)Nc1ccn(C)n1 252494895 OHOIZBDHGWEJCS-LBPRGKRZSA-N 280.372 1.250 0 50 CDAA C[C@@H]1O[C@H](Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O 252009608 RENWKKKXUKFSRO-FSDJSFAOSA-N 289.331 1.079 0 50 CDAA CCCC[C@@H](N)C(=O)NCCn1cc(Cl)cn1 299773116 AOUSOTYZQPDWND-SNVBAGLBSA-N 258.753 1.170 0 50 CDAA COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)c2ccccc2O1 603284150 VMLBNESYJRYVIL-BREBYQMCSA-N 275.304 1.610 0 50 CDAA CN(Cc1noc2c1CCCC2)C(=O)[C@H]1C=CCN1 534587864 KLOIEKYNSCXMNY-LLVKDONJSA-N 261.325 1.040 0 50 CDAA Cc1cccnc1[C@@H](C)NC(=O)Cn1ccc(=O)cc1 534660424 MVZRCRUVLMCSIL-GFCCVEGCSA-N 271.320 1.429 0 50 CDAA CCOC1CC2(C1)C[C@@H]2NC(=O)c1ccc(C(=O)O)cn1 1605612090 JIKCLSKBFFSHMA-JYHUIVOISA-N 290.319 1.467 0 50 CDAA CC(C)C[C@@H](C(=O)O)N1CCN(c2cncc(F)c2)CC1 629487910 DGOHUVGWMNQMON-AWEZNQCLSA-N 295.358 1.842 0 50 CDAA O=C(C[C@H]1CCNC1)NCCOc1cccc2cccnc12 299775651 GIJYYCSSHSRPRR-CYBMUJFWSA-N 299.374 1.729 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 299797563 OFEGXTYDPZNJGZ-AWEZNQCLSA-N 273.332 1.725 0 50 CDAA COCCN1C[C@H](Cc2nccc(NC(C)C)n2)CC1=O 299793448 IDEXUULNBMXHBE-GFCCVEGCSA-N 292.383 1.334 0 50 CDAA Cc1nc(Cc2c(C)n[nH]c2C)n(-c2cccnc2)n1 825273312 ZYUWPSLCMFIDBZ-UHFFFAOYSA-N 268.324 1.901 0 50 CDAA C[C@@H](Cn1cccn1)C(=O)NCCc1cccs1 820631978 IXGORQBPFIWOBD-NSHDSACASA-N 263.366 1.940 0 50 CDAA Cc1cc(N[C@H]2Cc3ccccc3N(C)C2)n2ncnc2n1 585132680 KYJINAXHAYVKEX-ZDUSSCGKSA-N 294.362 1.906 0 50 CDAA Cc1nc([C@H]2CCCN(c3ncnc4[nH]cnc34)C2)n[nH]1 825261563 ISUOCRKZQZALPE-VIFPVBQESA-N 284.327 1.163 0 50 CDAA Cn1nc(CO)c2c1CCN(C1Cc3ccccc3C1)C2 584885209 VCKQWAJKLBCMCA-UHFFFAOYSA-N 283.375 1.438 0 50 CDAA CCCOC[C@H]1CCN(C(=O)CCc2nncn2C)C1 584888192 QDMFZIOWZLNPEL-LBPRGKRZSA-N 280.372 1.023 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)c2c(C)ncn2C)cn1 584898026 FJMBXARMOOOXBC-SNVBAGLBSA-N 258.325 1.923 0 50 CDAA CC(=O)N1CCC(Cn2cnc3ncccc3c2=O)CC1 584885861 BHVKKUNPPULERR-UHFFFAOYSA-N 286.335 1.050 0 50 CDAA Cc1cnccc1C(=O)N[C@H](C)c1nnc(N)s1 670438600 DWGVAPFDFJIBIB-SSDOTTSWSA-N 263.326 1.315 0 50 CDAA CC(C)c1ccccc1CNC(=O)C[C@@H]1COC[C@H]1O 1875293104 CJKADYCGLUZLQW-UKRRQHHQSA-N 277.364 1.824 0 50 CDAA O=C(NC[C@H](O)C1CCCC1)c1cc2cccnc2[nH]1 1875265922 QRUALNSEQSJOOY-ZDUSSCGKSA-N 273.336 1.844 0 50 CDAA NC1CC2(C1)[C@@H]1CCCN1CCN2CCc1ccccc1 1875274105 HLEAQQIYAABTRQ-ADKAHSJRSA-N 285.435 1.869 0 50 CDAA NC(=O)[C@H](NC(=O)NC1CC1)c1ccc2ccccc2c1 1875304569 NZCRKQRLXZQOLN-CQSZACIVSA-N 283.331 1.828 0 50 CDAA COCCN(C)CCC(=O)N(C)Cc1sccc1C 952873059 FNVIIUNMMZKCCS-UHFFFAOYSA-N 284.425 1.983 0 50 CDAA COCCCN1CCC(CNC(=O)[C@H]2CC23CC3)CC1 952982266 QYJJICNYLBNOGM-CQSZACIVSA-N 280.412 1.651 0 50 CDAA CCCO[C@H]1CCCN(C(=O)CN2CCCN(C)CC2)C1 952963246 GOVHRNBCMSAVMI-HNNXBMFYSA-N 297.443 1.042 0 50 CDAA O=C(NCc1cnn(CCF)c1)c1cnc2n1CCCC2 888324814 NGIUZCYYYHOSGW-UHFFFAOYSA-N 291.330 1.315 0 50 CDAA C[C@@H](C(=O)N1CCCC[C@H]1Cc1nn[nH]n1)C1CC1 1775987592 FDHNKIMJSXSHTD-KOLCDFICSA-N 263.345 1.169 0 50 CDAA NC(=O)[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[C@@H]3CCC[C@@H]32)C1 895259146 AFAFZABANALHJF-KZZRWZIVSA-N 265.357 1.128 0 50 CDAA CC(C)(C)OC(=O)c1cc(C(=O)N2CC[C@@H]3C[C@@H]3C2)[nH]n1 1773644916 DPCYXZVLUGCNPV-NXEZZACHSA-N 291.351 1.847 0 50 CDAA COc1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)c(C)c1 892077654 WSTMHMOUMTXCNA-ZDUSSCGKSA-N 298.408 1.127 0 50 CDAA c1cc2cn[nH]c2cc1CNCCCN1CCOCC1 134518744 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COC(=O)c1cc(CN[C@H](C)C2CCOCC2)cn1C 225639891 UPGDNBANUSBHSC-LLVKDONJSA-N 280.368 1.716 0 50 CDAA CN(C[C@H]1CCCOC1)C(=O)NCC1CCOCC1 171684494 OMNMMBDTIBANLU-CYBMUJFWSA-N 270.373 1.481 0 50 CDAA Nc1ccncc1C(=O)N1CCC[C@@H](N2CCCC2)CC1 188225619 FDRXXYFOENPIBG-CYBMUJFWSA-N 288.395 1.754 0 50 CDAA FC(F)(F)CN1CCC(CNCc2cncnc2)CC1 189458699 SEAQZODAJSUHGM-UHFFFAOYSA-N 288.317 1.841 0 50 CDAA Cc1nn(C)cc1NC(=O)NC[C@H](c1ccco1)N(C)C 189667170 MXOAHTMRIMITPI-GFCCVEGCSA-N 291.355 1.746 0 50 CDAA CCc1ccc(C(=O)N(C)C[C@H](C)c2nnn[nH]2)c(O)c1 189690560 SOFCSFPAFXMTJX-VIFPVBQESA-N 289.339 1.343 0 50 CDAA CCC[C@]1(C)C(=O)NCCN1C(=O)c1cscn1 189811152 PYRQXBVMJZNQIB-GFCCVEGCSA-N 267.354 1.274 0 50 CDAA C[C@@H]1OCCC[C@@H]1C(=O)NCCc1cccc(C(N)=O)c1 191041004 JBHWAIOFNPGJAJ-FZMZJTMJSA-N 290.363 1.259 0 50 CDAA OC[C@]1(NCc2ccc(Br)o2)CCOC1 191592851 QOWMEAAZZWTDAT-SNVBAGLBSA-N 276.130 1.283 0 50 CDAA Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cncnc2N)s1 192347719 WVDQINFNMZRCCJ-MRVPVSSYSA-N 291.380 1.965 0 50 CDAA O=C(O)[C@H]1CC[C@@H](C(=O)NCCCc2ccccn2)C1 693656724 QYUJDNXPNMHJPV-NEPJUHHUSA-N 276.336 1.631 0 50 CDAA Cc1ccc(F)c(CN(C)C[C@@](C)(O)C(=O)O)c1 581494289 GJRCYRJMUCRNRG-CYBMUJFWSA-N 255.289 1.402 0 50 CDAA Cc1c(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cnn1C 1529104276 NEIMZBFMQNHUBA-NSHDSACASA-N 293.371 1.061 0 50 CDAA COc1ccc(C)nc1N1CCC[C@@H](CS(C)(=O)=O)C1 1857666931 ZDMAJQSKCCOCQN-GFCCVEGCSA-N 298.408 1.660 0 50 CDAA CC(=O)N1CC(NC(=O)c2ccc3c(c2)CC(C)(C)O3)C1 1615046859 HCFNPOIODSBXJR-UHFFFAOYSA-N 288.347 1.361 0 50 CDAA CC(C)n1ncc(=NC(=O)CCc2cccc(F)c2)[nH]1 1875246768 MHBISCQYYASBSY-UHFFFAOYSA-N 276.315 1.991 0 50 CDAA C[C@H](CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[S@](C)=O 242100107 WEIYYPXDJDGTLF-WUILDGTKSA-N 271.426 1.691 0 50 CDAA CS(=O)(=O)Nc1ccc(Br)cc1N 20521002 FGUREUBPTZSCIG-UHFFFAOYSA-N 265.132 1.403 0 50 CDAA in-vitro O=C(N[C@@H]1CCOC[C@H]1O)C1(c2ccc(Cl)cc2)CC1 219289196 QJWQZGYCYQPSST-CHWSQXEVSA-N 295.766 1.638 0 50 CDAA CCN1CCn2c(nnc2[C@H](C)OC(C)C)C1=O 1772817530 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CKDJHBANQFCUSA-LLVKDONJSA-N 286.335 1.389 0 50 CDAA O=C(NC[C@H]1CCCO1)C(=O)c1c[nH]c2ccccc12 4163133 AMBVVVXOTTVQGJ-SNVBAGLBSA-N 272.304 1.646 0 50 CDAA NC(=O)C[C@]1(O)CCCN(Cc2cccc3cc[nH]c23)C1 643746907 XTSVQDFZPPTMLL-MRXNPFEDSA-N 287.363 1.370 0 50 CDAA COCc1cc(C(=O)N2CC[C@@H](C(=O)O)C2)ccc1F 237189975 WQSPQEYMWHRMIL-SNVBAGLBSA-N 281.283 1.519 0 50 CDAA COCc1cc(C(=O)NC2(C(=O)O)CC2)ccc1F 237190453 PBJGJYYFRFFCKG-UHFFFAOYSA-N 267.256 1.319 0 50 CDAA COCCOc1ccc(Cl)cc1C(=O)N1CC[C@H](N)C1 237108333 DJBIRYNZPXLQBA-NSHDSACASA-N 298.770 1.538 0 50 CDAA Cn1cnc2nc(O)cc(C(=O)NCc3ccsc3)c21 557524073 AZTPQZSVXPFDQW-UHFFFAOYSA-N 288.332 1.665 0 50 CDAA COc1cccc(OC)c1CC(=O)N1CCOC[C@H](C)C1 366757600 LASDRJKZTCEQFV-GFCCVEGCSA-N 293.363 1.741 0 50 CDAA Cc1nccn1CCn1cc(CO[C@H]2CCCCO2)nn1 905795318 OTAXPOIQCBLDDB-AWEZNQCLSA-N 291.355 1.526 0 50 CDAA COc1cccc2[nH]c(C(=O)N3CCC[C@H](O)C3)cc12 906045622 WVNAKUVPTBYQPF-JTQLQIEISA-N 274.320 1.773 0 50 CDAA COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cnn[nH]2)cc1 935595658 OGBJNOFRKPRVGO-WDEREUQCSA-N 258.281 1.556 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H]([C@@H]2CCOC2)C1 1857778251 RRRJNVRBOZWEQI-OUAUKWLOSA-N 285.340 1.591 0 50 CDAA CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2(C(=O)O)C1 1857783363 HBDBCTHLDTVLBJ-ZANVPECISA-N 271.313 1.487 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CCCCO2)c2ccccc21 131981803 HJHIVEKLUFZVMQ-DGCLKSJQSA-N 275.304 1.771 0 50 CDAA NC(=O)C[C@@H]1CN([C@@H]2CCc3c(Cl)cccc32)C[C@H]1O 2325785752 MFQXFLXABAIRQX-OWYVNGRQSA-N 294.782 1.495 0 50 CDAA O[C@H]1CCCN(Cc2cn(-c3ccc4[nH]ncc4c3)nn2)C1 2325807903 DZQSIADHBRNXNY-AWEZNQCLSA-N 298.350 1.100 0 50 CDAA C[C@](N)(CO)Cc1ccc(-c2cnn3cccnc23)cc1 864542009 ZTLPHJDZGXJZSL-MRXNPFEDSA-N 282.347 1.649 0 50 CDAA CCOC(=O)c1sc(NC(=O)COC)nc1C 148263 YZTVYKJYVBICKH-UHFFFAOYSA-N 258.299 1.213 0 50 CDAA COc1ccc(OCC(=O)NCc2cccnc2)cc1 195374 YVYDXAHLVNLXDZ-UHFFFAOYSA-N 272.304 1.785 0 50 CDAA CC(C)(C)NC(=O)[C@@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 202756 PLNPBKIDHMPJCC-ZUZCIYMTSA-N 283.368 1.792 0 50 CDAA COc1ccc2c(c1)[C@]1(NC(=O)c3ccccc3N1)C(=O)N2 209948 ULFPRSXGJFRYCQ-INIZCTEOSA-N 295.298 1.656 0 50 CDAA CCOc1ccc(S(=O)(=O)n2cnc(C)c2)cc1 308840 CLYKBNWNCUKPMV-UHFFFAOYSA-N 266.322 1.827 0 50 CDAA O=C(Nc1ncn[nH]1)c1cccc(Br)c1 441138 JYJLDQFTPOJOFF-UHFFFAOYSA-N 267.086 1.820 0 50 CDAA Nc1nc(N2CCCCC2)c(C=O)c(N2CCCCC2)n1 1387166 WZTGLILZTYIPPG-UHFFFAOYSA-N 289.383 1.852 0 50 CDAA CCOc1ncccc1C(=O)N=c1nc(C)s[nH]1 2356151371 FWSYFHFPJAYJTQ-UHFFFAOYSA-N 264.310 1.314 0 50 CDAA CCOCCCNC(=O)c1c(OC)cccc1OC 2805308 VMYBMAFIXYVZBS-UHFFFAOYSA-N 267.325 1.860 0 50 CDAA Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(C)nn32)c(C)c1 4731501 VXWYAWUOLFPCNW-GFCCVEGCSA-N 299.334 1.725 0 50 CDAA COc1ccccc1NC(=O)N1CCC[C@@H](C(N)=O)C1 4820784 IQHVDKFVLUCUBM-SNVBAGLBSA-N 277.324 1.424 0 50 CDAA O=C(C[C@H]1COC(=O)C1)Nc1ccc2nc(S)[nH]c2c1 121783435 RGKRGZCNOPIPQS-SSDOTTSWSA-N 291.332 1.743 0 50 CDAA COc1ccc(C)cc1-n1cnnc1Cn1ccnc1 67879580 AXCOHVDAUQAYNE-UHFFFAOYSA-N 269.308 1.829 0 50 CDAA Cc1ccc(C)c([C@H]2CN(C(=O)[C@H](C)N)[C@@H](C)CO2)c1 119065771 FUKXZIYTYDHLJE-KCQAQPDRSA-N 276.380 1.939 0 50 CDAA COCCN(C)Cc1nc(C)nn1-c1ccccc1OC 65372646 SDHLXJRSRHJLFO-UHFFFAOYSA-N 290.367 1.663 0 50 CDAA Cc1ccc([C@H](C)CCN2CCN(CCO)CC2)o1 22077685 YLCXWHVBAKFNAY-CYBMUJFWSA-N 266.385 1.692 0 50 CDAA COC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 22880961 AHMWGDOBUQLFSF-UHFFFAOYSA-N 257.311 1.160 0 50 CDAA Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccncc2F)cn1 328626308 LNZQTWITRMBUJM-QWHCGFSZSA-N 290.298 1.214 0 50 CDAA CC(=O)NCCNc1cc(C)nc(N2CCCCC2)n1 65380480 CRQMXCCNWKHVMT-UHFFFAOYSA-N 277.372 1.323 0 50 CDAA O=C1CCCC[C@H](C(=O)N2CCc3c(F)ccc(F)c32)N1 335827288 IQRCCEONMFNSJW-GFCCVEGCSA-N 294.301 1.913 0 50 CDAA CC(C)=CCN1CCN(Cc2c[nH]c(C)n2)C[C@H]1CCO 39447290 FKHXLCLVMVTHCZ-MRXNPFEDSA-N 292.427 1.553 0 50 CDAA CC(=O)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 1211785 JMZOHIUFWAZBKL-NSHDSACASA-N 272.226 1.894 0 50 CDAA CO[C@H]1CN(C(=O)C=C(C2CC2)C2CC2)[C@](C)(CO)C1 864233117 GRRIHOJJKQUHEP-CJNGLKHVSA-N 279.380 1.731 0 50 CDAA CN1CC[C@@H]2CCN(c3nnc(C4CC4)s3)[C@@H]2C1 352080877 BNWWETCYVDMSHA-MWLCHTKSSA-N 264.398 1.946 0 50 CDAA Cc1cc(C[C@H](C)N[C@H]2CCNCC[C@@H]2C)n[nH]1 333347045 ZNFTZGPOEKWVHY-MJVIPROJSA-N 250.390 1.627 0 50 CDAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[C@H](C(=O)O)C1 237503869 AQWIEEBTVHFAJY-CABZTGNLSA-N 293.367 1.149 0 50 CDAA C[C@@H]1C(=O)N(C)CCN1Cc1cc2cccnc2o1 449258048 LFUZZIXNACBUHB-SNVBAGLBSA-N 259.309 1.490 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2cncc(C)c2)C1 284671279 QXMMHEKCCWYFOP-OLZOCXBDSA-N 273.340 1.470 0 50 CDAA O=C(c1ccnnc1)N1CC[C@H](N2CCCCC2)C1 219117199 ZHOVXNJCNWRRCJ-ZDUSSCGKSA-N 260.341 1.177 0 50 CDAA CN(C)c1ncc(NC(=O)NCC(F)(F)F)cn1 241126028 JJAIBYTXGWBZTR-UHFFFAOYSA-N 263.223 1.226 0 50 CDAA O=C(O)Cn1cc(NC(=O)c2ccccc2F)cn1 38029657 IUUPPKWHVCEZGH-UHFFFAOYSA-N 263.228 1.359 0 50 CDAA COc1ccc(N2C[C@@H](Nc3ncncn3)CC2=O)cc1 219563361 HJMRGKXNRJSJQU-JTQLQIEISA-N 285.307 1.098 0 50 CDAA O=C(N[C@H]1CCc2ccccc2C1)c1nc2ncccn2n1 215620394 ARIJNEXGHKDNOR-ZDUSSCGKSA-N 293.330 1.412 0 50 CDAA CC[C@](C)(CO)NC(=O)CNC(=O)c1cc(C)cc(C)c1 155498720 KPLJWNPMPIDDGD-MRXNPFEDSA-N 292.379 1.310 0 50 CDAA c1ccc(-n2nnnc2N2CCC[C@H](c3nc[nH]n3)C2)cc1 371270840 JGTKQUMXZJXDOC-NSHDSACASA-N 296.338 1.164 0 50 CDAA CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(N)nc21 35308805 RGHYDLZMTYDBDT-UHFFFAOYSA-N 270.296 1.092 0 50 CDAA investigational COc1ccccc1[C@H]1CCCN1CCN1CCNC1=O 377275224 GZPHDQXXCULVJN-CQSZACIVSA-N 289.379 1.857 0 50 CDAA Cc1cc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)n[nH]1 262943549 QALNEWOXNGIPHJ-STQMWFEESA-N 299.330 1.659 0 50 CDAA CC(C)c1cc(C(=O)N2C[C@H](C)N(C)[C@H](C)C2)on1 293897101 DZERINUKORZHHZ-PHIMTYICSA-N 265.357 1.963 0 50 CDAA O=C(N[C@H]1CCN(c2ncncn2)C1)OCc1ccccc1 223568599 TUHVKKJTBXEKMS-ZDUSSCGKSA-N 299.334 1.377 0 50 CDAA COC1(C(=O)N(C)Cc2ccccc2F)CCNCC1 178329645 MQKWNFZKXCNTLH-UHFFFAOYSA-N 280.343 1.553 0 50 CDAA C[C@H]1CN(c2nc(O)c3cn[nH]c3n2)CCC1(F)F 291101587 KNXYZPZHWBOVFJ-LURJTMIESA-N 269.255 1.540 0 50 CDAA CNC[C@@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 178992160 DLTKTBQPEBUIHO-JDGPPOGSSA-N 263.316 1.302 0 50 CDAA Cc1nnc(CN(C)C(=O)NCCC2CCN(C)CC2)o1 426571447 INUQOXAKHGLECF-UHFFFAOYSA-N 295.387 1.251 0 50 CDAA C[C@@]1(C(=O)NCc2ccccc2-n2cncn2)CCCO1 426656833 BZMBBBIQBHTKQL-HNNXBMFYSA-N 286.335 1.453 0 50 CDAA Cc1c(C(=O)NC[C@@H](C)Oc2cccnc2)ccn1C 426403570 RWYWEDMSUJGFLU-LLVKDONJSA-N 273.336 1.926 0 50 CDAA COc1ccccc1OCCN(C)C(=O)[C@H]1CC[C@@H](N)C1 237145555 WKCNYNSLKYDISK-QWHCGFSZSA-N 292.379 1.660 0 50 CDAA Cc1nccn1CCCC(=O)N1CC[C@](C)(O)[C@H](C)C1 91526910 OJSMPXDXYZRCPU-DOMZBBRYSA-N 279.384 1.591 0 50 CDAA CCC[C@H](N)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 299747619 DKKGVDYGIDFWLZ-ZJUUUORDSA-N 281.322 1.209 0 50 CDAA Cc1nc([C@@H]2CN(c3noc(C(C)(C)C)n3)CCO2)no1 253419535 OQALGWCBYTWIDR-VIFPVBQESA-N 293.327 1.636 0 50 CDAA Cc1ccccc1CC1(NC(=O)C2(CO)CC2)CC1 534633686 FEOPSNWNIZBBHI-UHFFFAOYSA-N 259.349 1.959 0 50 CDAA Cn1ccnc1CCN1CCN(c2ccncc2)CC1 1506418480 RYGAPTIYJPLSNJ-UHFFFAOYSA-N 271.368 1.180 0 50 CDAA O=C(CN1CCCCCCC1)NCc1cc[nH]n1 534590830 WQYREKCYSNPTNA-UHFFFAOYSA-N 250.346 1.292 0 50 CDAA CC(C)C[C@@H](NC(=O)c1csc(=N)[nH]1)c1ncnn1C 534651084 PGWNHSXFUGNHNX-MRVPVSSYSA-N 294.384 1.201 0 50 CDAA C=CC(=O)N(C)CC(=O)N(C(C)C)C1CCCC1 859189546 FFPBJECKSVTETD-UHFFFAOYSA-N 252.358 1.810 0 50 CDAA CCN(C)C(C)(C)CNC(=O)[C@H](C)n1cc(Cl)cn1 299767642 IOPVHBPVEDEBME-JTQLQIEISA-N 286.807 1.944 0 50 CDAA Cc1ccnc(NCCNC(=O)C2CCOCC2)c1 299764310 UDNGEGDEYTVZJS-UHFFFAOYSA-N 263.341 1.345 0 50 CDAA Cn1cncc1C(=O)Nc1ccnn1C1CCCC1 813433050 BIXCRYMAGIWOCS-UHFFFAOYSA-N 259.313 1.984 0 50 CDAA CCOC(=O)c1nn(C2CCOCC2)cc1C=O 725343465 GNKZODNOKNXKSA-UHFFFAOYSA-N 252.270 1.224 0 50 CDAA C[C@@H]1CCN[C@H](C)[C@@H]1NC(=O)C[C@H](O)c1cccc(F)c1 585136913 YLIFJFXVUZISMR-TWINXVHLSA-N 294.370 1.752 0 50 CDAA CCCn1ncnc1[C@@H](C)NC(=O)COC(C)C 823036191 SWZDAPHTUWISRA-SNVBAGLBSA-N 254.334 1.290 0 50 CDAA CCOC1CCN(C(=O)COC[C@@H]2CCCCO2)CC1 584898671 OMBYQWURIFSCIF-AWEZNQCLSA-N 285.384 1.600 0 50 CDAA COc1ccc(-c2cnc(C(=O)O)nc2)c(CN)c1 675068992 AIZBQADMNPQUNR-UHFFFAOYSA-N 259.265 1.309 0 50 CDAA CC1(CNC(=O)c2c(Cl)n[nH]c2C2CC2)COC1 865774276 AAHMTVJXXVUAGH-UHFFFAOYSA-N 269.732 1.707 0 50 CDAA COCCn1cncc1CNC(=O)[C@H]1CCOC(C)(C)C1 670458340 ZXMOFLBLQORONQ-LBPRGKRZSA-N 295.383 1.351 0 50 CDAA Cc1nonc1CNC(=O)c1nc2ccccc2o1 1153580808 NIIABUHSZLJTTC-UHFFFAOYSA-N 258.237 1.449 0 50 CDAA CC(C)[C@H](NC(=O)CCCn1cnnn1)c1ccccc1 670436156 GOWXCNPEXHZQQJ-HNNXBMFYSA-N 287.367 1.967 0 50 CDAA COCc1cc(C2CN(C[C@H](O)C(F)(F)F)C2)no1 952823070 PYKCEFNXJNWJEY-JTQLQIEISA-N 280.246 1.143 0 50 CDAA COC(=O)/C=C/CNC(=O)[C@@H]1CCO[C@H]1c1ccccc1 1875272895 CRRLRLHNONUUQH-JGOVJGDKSA-N 289.331 1.610 0 50 CDAA CCOc1ccc(C2(C)CC2)cc1S(N)(=O)=O 1875304584 OISSBCQSIUKFSZ-UHFFFAOYSA-N 255.339 1.784 0 50 CDAA CCN1CCN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)CC1 1875392504 GACAXQOEDJOJBU-WDEREUQCSA-N 292.383 1.210 0 50 CDAA COc1ccc(-c2cn(CCN3CCCCC3)nn2)nc1 1875326349 HPAGDDSLPRBHEL-UHFFFAOYSA-N 287.367 1.835 0 50 CDAA CCCc1cc(C(=O)N2CCCC[C@@H]2C(=O)NC)n(C)n1 952965122 FPEUVXWVDMJZCW-GFCCVEGCSA-N 292.383 1.113 0 50 CDAA CN[C@H]1CCCN(C(=O)COc2ccc(C)cc2C)C1 133889333 YCTJOAHOXXEACC-AWEZNQCLSA-N 276.380 1.893 0 50 CDAA C=CC(=O)Nc1cnn(Cc2nc3ccccc3n2C)c1 1775999283 HTLRUSXEWAFGDO-UHFFFAOYSA-N 281.319 1.943 0 50 CDAA CCN1CCN(C(=O)c2ccc3nc(Cl)nn3c2)CC1 1775991936 PDAHQTVSIFYNMJ-UHFFFAOYSA-N 293.758 1.160 0 50 CDAA COC[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1nn[nH]n1 1775984876 FVUYYBMQNPNRNU-SRVKXCTJSA-N 293.371 1.220 0 50 CDAA Cn1ccc2ccc(CN3C[C@H](CO)[C@@H](CO)C3)cc21 1565515734 RRBKZHXPSMGQIP-HUUCEWRRSA-N 274.364 1.211 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CNC2)C(F)(F)C1 79035619 DPKMOHMENJEEJV-UHFFFAOYSA-N 262.300 1.852 0 50 CDAA in-vitro O=Cc1ccc(N2CCN(CCO)CC2)cc1Cl 85477335 NQXLAWAVTILXMS-UHFFFAOYSA-N 268.744 1.267 0 50 CDAA in-vitro Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1cccnc1 275521559 METIYLZQBYHNQG-RYUDHWBXSA-N 287.323 1.467 0 50 CDAA CC(C)(CC(=O)Nc1ccc2c(c1)CC(=O)N2)C(=O)O 169987624 YWSYKQQMEZSWFX-UHFFFAOYSA-N 276.292 1.621 0 50 CDAA COC(=O)CCC(C)(C)NC(=O)c1ccnc(C)n1 170626779 CUKJXGDQIBOHGL-UHFFFAOYSA-N 265.313 1.247 0 50 CDAA C[C@H](C(=O)OC[C@H]1CCCO1)N(C)CC(F)(F)F 170619247 PVDDSWTYHRUEIQ-RKDXNWHRSA-N 269.263 1.591 0 50 CDAA C[C@H](CNC(=O)c1ccc[n+]([O-])c1)Nc1ccccc1 170651703 QAGXCUFOHBAVTE-GFCCVEGCSA-N 271.320 1.550 0 50 CDAA COC(=O)[C@H]1C[C@H]1C(=O)Nc1nnc(C(F)(F)F)s1 170752869 XYYITOHOWCIYBL-DMTCNVIQSA-N 295.242 1.305 0 50 CDAA CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 635426708 ZOAIHJZCZBAIRE-YNEHKIRRSA-N 278.400 1.606 0 50 CDAA COC(=O)c1cc(-c2noc([C@](C)(O)C3CC3)n2)cn1C 585120511 RRWOCOGPUMFYGP-CQSZACIVSA-N 291.307 1.479 0 50 CDAA O=C(NCCc1ccccn1)[C@@H]1CCN1C1CCCC1 585121545 RWQZPCRVBOCEJQ-HNNXBMFYSA-N 273.380 1.757 0 50 CDAA C[C@H]1C(=O)NCCCN1Cc1ccn(-c2ccccc2)n1 189104021 IBHWJJBHMCCWNN-ZDUSSCGKSA-N 284.363 1.583 0 50 CDAA C[C@@H]1CCC[C@H](CCN2C[C@@H](O)C[C@@H]2C(N)=O)C1 222098391 KNSWWDSUJMWVIR-FVCCEPFGSA-N 254.374 1.123 0 50 CDAA COc1ccc2nc(-c3ccncn3)[nH]c(=O)c2c1 225566617 XPENIPASUZOVLO-UHFFFAOYSA-N 254.249 1.389 0 50 CDAA CCS(=O)(=O)C1CCN(C(=O)c2ccsc2)CC1 195289408 OMUJBYFIDOCNNW-UHFFFAOYSA-N 287.406 1.787 0 50 CDAA CO[C@H](C)CS(=O)(=O)N1CCCC[C@@H]1c1ncc[nH]1 195346118 SSIBXPLEBDNUSA-GHMZBOCLSA-N 287.385 1.301 0 50 CDAA O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1nc[nH]n1 568146217 HBIGHHDHHQDZTI-XYPYZODXSA-N 286.339 1.353 0 50 CDAA CO[C@@]1(C)CCCN(C(=O)CCc2ncccn2)CC1 577155829 ODXPADPNAVBUDV-HNNXBMFYSA-N 277.368 1.827 0 50 CDAA CO[C@](C)(C(=O)N[C@@H](C)CC(=O)O)c1ccccc1F 668272404 CUWZYIQKJCYPCH-XPTSAGLGSA-N 283.299 1.667 0 50 CDAA O=C(Nc1cnn2c1NCCC2)c1cncc(Cl)c1 1506406483 LPHNRRDOTQQPFX-UHFFFAOYSA-N 277.715 1.999 0 50 CDAA CN(CC[C@H]1CCCCO1)c1ncnc2[nH]cnc12 1506401757 NTVSMYIJILKIRK-SNVBAGLBSA-N 261.329 1.748 0 50 CDAA CCN1C[C@H](NC(=O)[C@@H]2CSCCS2)C(C)(C)C1 1363662591 QBCWZULEUOINSL-QWRGUYRKSA-N 288.482 1.682 0 50 CDAA Cc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)s1 1704325547 PJQZXRQSNGXJCH-UHFFFAOYSA-N 292.408 1.984 0 50 CDAA Cc1cccc(Cl)c1C(=O)N1C[C@@H](O)[C@H](F)C1 1857687555 YLLCFOIQSOAFPW-NXEZZACHSA-N 257.692 1.803 0 50 CDAA Cc1cccc(=O)n1CCCNc1nccnc1N(C)C 1704299089 MNQFXCSUFZEBGK-UHFFFAOYSA-N 287.367 1.515 0 50 CDAA COc1nscc1[C@H](C)NC[C@H](O)CN1CCCCC1 1615551037 NVBRUTXCTPNNSK-RYUDHWBXSA-N 299.440 1.649 0 50 CDAA COc1cc(CCNC(=O)[C@@H]2C[C@@H]3C[C@H](N)[C@@H]3C2)ccn1 1615544363 AZJPYHIJVHPYDG-SYQHCUMBSA-N 289.379 1.122 0 50 CDAA C[C@@H]1CCCN(C(=O)CCOC2CCOCC2)[C@@H]1CN 237491314 UGJUZCQOOHIFTC-TZMCWYRMSA-N 284.400 1.158 0 50 CDAA Cc1noc(C)c1CN1CCC[C@H](CS(C)(=O)=O)C1 216181321 QTUYMEXZUFEEDD-LBPRGKRZSA-N 286.397 1.548 0 50 CDAA Cc1c(CNC(=O)c2ncoc2C(C)(C)C)cnn1C 585089605 BYWSJZNGQIVPFB-UHFFFAOYSA-N 276.340 1.944 0 50 CDAA O=C(C1CCN(CC[C@H]2COCCO2)CC1)N1CCCC1 1775979345 LEMLJDINJLMLIX-HNNXBMFYSA-N 296.411 1.126 0 50 CDAA O=C(c1cc(C2CC2)[nH]n1)N1CCC[C@H](C2(O)CC2)C1 1772805360 LZYAWOOVNUIZQA-NSHDSACASA-N 275.352 1.664 0 50 CDAA CN(C)Cc1nnc(N(C)CC[C@H](O)c2ccccc2)o1 1772710216 MPKPNXONSMWHDT-ZDUSSCGKSA-N 290.367 1.691 0 50 CDAA CCCN1CCC(CNc2nnc(CN)o2)CC1 1772810157 INEPNARQCBPGJF-UHFFFAOYSA-N 253.350 1.062 0 50 CDAA C[C@@H]1CN(CC(=O)NCc2ccco2)C[C@@H](C)O1 20572399 AVPITCZNABFOAI-GHMZBOCLSA-N 252.314 1.005 0 50 CDAA CC(C)(C)OC(=O)N1CCN[C@H](c2cccnc2)C1 15020848 YTZNVXDPMKDFHB-LBPRGKRZSA-N 263.341 1.963 0 50 CDAA O=C(c1cc(-c2ccccc2O)on1)N1CCOCC1 15936950 TZJLDYUELMLEES-UHFFFAOYSA-N 274.276 1.520 0 50 CDAA Cc1nonc1CC(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 19866907 CBDZXRIYHVMMDN-GRYCIOLGSA-N 261.325 1.639 0 50 CDAA O=C(O)c1cc(N2C[C@@H](O)[C@H](Cc3ccncc3)C2)ccn1 1875246328 LTFUPQRYOWMNPS-IUODEOHRSA-N 299.330 1.215 0 50 CDAA Nc1ncnc(N2CCC[C@H](c3ccn[nH]3)C2)c1Cl 302043575 JHNDJXRKROLCGW-QMMMGPOBSA-N 278.747 1.819 0 50 CDAA Cc1cc([C@@H]2CCCN2C(=O)c2c[nH]cc(C)c2=O)on1 408167223 CNXXJLYUGQNQEV-LBPRGKRZSA-N 287.319 1.957 0 50 CDAA CCOc1ccc(NC(=O)N2C[C@H](CN)[C@@H](C)C2)nc1C 632954868 GDTFYXYZPUOIPS-JQWIXIFHSA-N 292.383 1.847 0 50 CDAA CC[C@@H](C)c1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 638467695 OHSOMHVBUNAWBT-LERXQTSPSA-N 262.353 1.861 0 50 CDAA COc1ccc(CN2CCC(Nc3cccnn3)CC2)cn1 131443164 UZDGODKHLBPWMV-UHFFFAOYSA-N 299.378 1.957 0 50 CDAA CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC1=O 16697886 FRNZCPLVDNHRIH-LBPRGKRZSA-N 291.303 1.387 0 50 CDAA in-vitro CSCCCCNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N 252532979 FPPRXQOIQMHGAA-NNYUYHANSA-N 256.415 1.619 0 50 CDAA CC[C@@](NC(=O)[C@H]1CCCOC1)(C(=O)O)c1ccccc1 262164520 OIVWNMYSDALLMN-LRDDRELGSA-N 291.347 1.919 0 50 CDAA Oc1ccc2c(c1)CN(CC[C@H]1COCCO1)CC2 1775976880 AYYKKRJGDONMGC-HNNXBMFYSA-N 263.337 1.556 0 50 CDAA Nc1cccc(C(=O)N2CCC(C3(O)CC3)CC2)n1 1772813982 DLYAUVIUXJVZAP-UHFFFAOYSA-N 261.325 1.041 0 50 CDAA Cn1ccnc1CN1CCC[C@]2(CCc3cnc(N)nc32)C1 1704331723 UIHUSDRTDCDDGJ-INIZCTEOSA-N 298.394 1.272 0 50 CDAA CCc1[nH]ccc1C(=O)N[C@@]1(CC(=O)O)CCCOC1 909693582 RFEGVXKYLVXRLX-CQSZACIVSA-N 280.324 1.331 0 50 CDAA CCCC(=O)N1CCOc2ccccc2[C@H]1C(=O)O 911053241 SKBJVGIDFZOSGO-ZDUSSCGKSA-N 263.293 1.833 0 50 CDAA CC1(C)[C@H]2CCC[C@H]2[C@H]1NCCS(=O)(=O)C1CC1 850474809 QNMZRANDCYPSRH-FRRDWIJNSA-N 271.426 1.978 0 50 CDAA NC(=O)c1ncn2c(-c3ccccc3)cc(C(=O)O)nc12 1857784645 UJQVKBCREBIVIC-UHFFFAOYSA-N 282.259 1.193 0 50 CDAA OCCN1CCN(c2ncc(C(F)(F)F)s2)CC1 252489528 JSPGPBRLCBCUQY-UHFFFAOYSA-N 281.303 1.276 0 50 CDAA COc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)ccc1F 127514096 KYXYCYWJOGCONK-LLVKDONJSA-N 281.283 1.914 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2CC23CCOCC3)C1 128540110 YGRVQVUSRRAOGS-MNOVXSKESA-N 267.325 1.126 0 50 CDAA C[C@H](CNC(=O)c1cccc2c1OCCO2)CC(=O)O 157916331 FOGHBPGUBPKZMB-VIFPVBQESA-N 279.292 1.298 0 50 CDAA CNC(=O)[C@H]1CCCCN1Cc1nc(C)cs1 176348584 FPAIGYZKNYYARZ-SNVBAGLBSA-N 253.371 1.552 0 50 CDAA CC1(C)C[C@H](CN2CCC3(CC2)CNCCO3)CCO1 426504006 NSJLDLWUBJGLEP-CQSZACIVSA-N 282.428 1.646 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)CC1=CCCCC1 643852569 GFLRRSXNLSGWOS-OAHLLOKOSA-N 281.352 1.969 0 50 CDAA O=C1OC[C@@H]2CN(C/C=C/c3ccccc3)CCN12 370555986 FVIXHDAXKXEHIJ-GBXSZLQWSA-N 258.321 1.836 0 50 CDAA Cc1cc(N)nc(N(C)C2Cc3ccccc3C2)n1 891975067 VMJJGUUSHQOGNQ-UHFFFAOYSA-N 254.337 1.971 0 50 CDAA Nc1cc(-c2ccc(C(=O)O)c(N)c2)ccc1C(=O)O 114437554 YYHRJJWMKQMOFN-UHFFFAOYSA-N 272.260 1.914 0 50 CDAA in-vitro Cc1nnc(NC(=O)CSc2ccccn2)s1 51542 KJWBSXIVNBCEIP-UHFFFAOYSA-N 266.351 1.972 0 50 CDAA c1ccc(-c2cc(-c3cnn(-c4nn[nH]n4)c3)on2)cc1 2100483037 NMVOJBQPMJJAHM-UHFFFAOYSA-N 279.263 1.707 0 50 CDAA c1cc(N2CCO[C@@H](c3nc(C4CC4)no3)C2)ncn1 2325775655 XLERZJRTXHXSGC-SNVBAGLBSA-N 273.296 1.315 0 50 CDAA COc1ccc(CCCNC2=NCCCCN2)cc1 849215718 ZQCKXRSDLMDTOF-UHFFFAOYSA-N 261.369 1.957 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 2325810123 WQBKUYKSUMXMLU-XQHKEYJVSA-N 263.337 1.912 0 50 CDAA COc1ccc(Cl)c(CN2C[C@H](O)C[C@@H]2CO)c1 225400138 APDWMRDKELUCHH-GHMZBOCLSA-N 271.744 1.276 0 50 CDAA C[C@H](Sc1nnnn1C1CCCCC1)C(=O)O 37735 ZUJQHSWZNUSBNZ-ZETCQYMHSA-N 256.331 1.744 0 50 CDAA CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O 196801 HUJSFPJYVLVLAP-SECBINFHSA-N 277.729 1.482 0 50 CDAA O=S(=O)(c1ccc2cc(O)ccc2c1)N1CCOCC1 227506 QTZIQEXNEOAVKU-UHFFFAOYSA-N 293.344 1.566 0 50 CDAA CCOC(=O)CC(=O)Nc1ccc(C(=O)OCC)cc1 240934 XLQXDRKONKJVRW-UHFFFAOYSA-N 279.292 1.755 0 50 CDAA COc1cc(OC)c([C@@H]2NC(=O)[C@@H](C)S2)c(OC)c1 289634 AFBLGHYAIVSNIF-FUXBKTLASA-N 283.349 1.963 0 50 CDAA NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)C1 247129403 NMCQEBHVPJQZPZ-NDMJEZRESA-N 280.318 1.876 0 50 CDAA CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 2943519 FBHVLJIBDAQWBZ-ZDUSSCGKSA-N 276.336 1.483 0 50 CDAA CCOC(=O)c1c(NC(=O)CN(C)C)sc2c1CCC2 3684619 AHKCWBCTPZOQKN-UHFFFAOYSA-N 296.392 1.914 0 50 CDAA O=C(Nc1nncs1)[C@H]1CC(=O)N(c2ccccc2)C1 4731684 YFZJZERXOZIQTB-VIFPVBQESA-N 288.332 1.530 0 50 CDAA CCC(CC)NS(=O)(=O)c1ccc2c(c1)OCCO2 7375887 OVPXMICGBJAIET-UHFFFAOYSA-N 285.365 1.925 0 50 CDAA COC(=O)N1C[C@H]2[C@H](CN(C)Cc3ccno3)[C@H]2C1 101771184 NAUZDXZQBQSHDN-CNDDSTCGSA-N 265.313 1.051 0 50 CDAA Fc1cccc(CN2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)c1 102200190 OZVYSRAAWQCOGD-FVQHAEBGSA-N 289.398 1.409 0 50 CDAA COC[C@@H](NC1CCSCC1)c1ccnn1C 65410996 GCIQWNLSTGFVOA-LLVKDONJSA-N 255.387 1.593 0 50 CDAA CC(C)S(=O)(=O)Cc1nc2c([nH]1)CC(C)(C)CNC2=O 65396329 VXRQVUWSKGZUBC-UHFFFAOYSA-N 299.396 1.045 0 50 CDAA Cc1cc(C(=O)N(C)[C@@H]2CCNC2)c(F)cc1F 135228333 CFFHYCSTNYMVCY-SECBINFHSA-N 254.280 1.707 0 50 CDAA O=c1c(CN2CCNCC2)cc2cccc3c2n1CCC3 22465692 INSZZUWSTXKVCC-UHFFFAOYSA-N 283.375 1.353 0 50 CDAA CC(C)[C@@H](C(=O)N=c1cc(C2CC2)[nH][nH]1)N1CCCC1=O 328923161 CWIYPBAABZNBEP-AWEZNQCLSA-N 290.367 1.295 0 50 CDAA O=C(O)[C@H]1C[C@@H](O)CCN1C(=O)c1ccc(O)c(Cl)c1 65529425 BNBRMQNKDOPEPX-WCBMZHEXSA-N 299.710 1.096 0 50 CDAA CCOCC(=O)N1C[C@H](NC(C)=O)CC[C@H]1C(F)(F)F 330584604 UDWWEEUTAGPZRW-ZJUUUORDSA-N 296.289 1.081 0 50 CDAA O=C(N1CCC[C@H]([C@H]2CCCCN2)C1)C(F)(F)F 306254361 OTDXOACONCIDHG-VHSXEESVSA-N 264.291 1.929 0 50 CDAA C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H](C)C1CCC1 252477291 LKUJHVMUFRZARL-WZRBSPASSA-N 270.373 1.668 0 50 CDAA CO[C@H]1C[C@@H](C(N)=O)N(C/C=C/c2ccccc2)C1 284654693 VROOSDMPTSQZFP-NSDHSQQOSA-N 260.337 1.274 0 50 CDAA O=C(c1ccccc1O)N1CCCC[C@H]1c1nc(O)n[nH]1 333226533 FWLTUTBDHBSGPL-JTQLQIEISA-N 288.307 1.583 0 50 CDAA COCCNCC(=O)N1Cc2ccccc2N(C)C[C@@H]1C 237167829 ZKCXTWLXQNTSLQ-ZDUSSCGKSA-N 291.395 1.090 0 50 CDAA C[C@@H]1CN(CCN2CCC[C@@H](c3nccn3C)C2)CCO1 253398499 UKHJZGFHMQZQAB-HUUCEWRRSA-N 292.427 1.320 0 50 CDAA CC(C)c1noc(N2CC[C@H](C(=O)N(C)C)C2)n1 334130066 STSYTMZAAZBGGA-VIFPVBQESA-N 252.318 1.108 0 50 CDAA CC(=O)Nc1ccc(N=c2[nH]ccn3cnnc23)cc1 356514792 DVLBWPKMFIWLKK-UHFFFAOYSA-N 268.280 1.248 0 50 CDAA Cc1ccc(NCCNC(=O)c2cccnc2)nn1 32593258 PRRGXJBRFWIZRM-UHFFFAOYSA-N 257.297 1.022 0 50 CDAA Cn1ccnc1[C@H]1c2[nH]cnc2CCN1Cc1cccnc1 71775559 CDOWICWQPUCYGJ-OAHLLOKOSA-N 294.362 1.686 0 50 CDAA Cc1nnc(N2CC[C@]3(C2)OCc2ccccc23)n1C 337705097 ISCHJPYBCOWUNU-OAHLLOKOSA-N 270.336 1.759 0 50 CDAA C[C@@H](c1nnnn1C)N(C)CC1(O)CCCCCC1 364957146 VBJVAKBBLAREQD-NSHDSACASA-N 267.377 1.288 0 50 CDAA O=C(N[C@H]1COc2ccccc2C1=O)c1ccnc(O)c1 367738869 CUBBXAZBRUUSHF-NSHDSACASA-N 284.271 1.161 0 50 CDAA CCOC(=O)[C@@H](Cc1ccccc1)N1C[C@@H]1C(=O)OC 35337216 VYHXXEAMSGRODS-SXMVJOELSA-N 277.320 1.018 0 50 CDAA C/C=C(\CC)C(=O)N1C[C@@H](O)C[C@@H]1c1nc(C)no1 369593054 DPEZIZLIFXTIEA-LTJOXERKSA-N 265.313 1.369 0 50 CDAA C[C@H](C[C@@H](O)c1ccco1)Nc1ccnc(C(N)=O)c1 132724579 GKNCLLPUVWDGSG-BXKDBHETSA-N 275.308 1.698 0 50 CDAA Cc1nc(CN2CCNC(=O)[C@H]2Cc2ccccc2)co1 216171631 ONZXOEBJJBEFMB-OAHLLOKOSA-N 285.347 1.526 0 50 CDAA C[C@@H](NC(=O)/C=C/CN(C)C)c1ccc(-n2ccnn2)cc1 492244649 UVEFWDIEZLQRSS-MUBLQREKSA-N 299.378 1.562 0 50 CDAA Cn1ncc2c(N)nc(N3CCC[C@@H]3c3cccnc3)nc21 375525218 VSRKCPBHKBSXIZ-GFCCVEGCSA-N 295.350 1.682 0 50 CDAA CC(=O)NCCNc1nc(C(C)C)nc2c1cnn2C 72150712 OOTVDAVBUYRNHG-UHFFFAOYSA-N 276.344 1.035 0 50 CDAA C[C@H](c1nncn1C)N1CCN(c2ccc(F)cn2)CC1 376538249 FDLXAMRCYGXJTE-LLVKDONJSA-N 290.346 1.232 0 50 CDAA Cc1c[nH]nc1CN[C@@H]1CCN(C(=O)Cc2ccccc2)C1 377775011 ZKTIYKOEMKZQGB-OAHLLOKOSA-N 298.390 1.651 0 50 CDAA CN(C)C/C=C/C(=O)N1CCO[C@@H]2CCCC[C@@H]21 377773327 DJWOIYBODBTEAE-DGYDABPTSA-N 252.358 1.274 0 50 CDAA CC[C@H](C)[C@H](N)C(=O)NCc1c(C)ncc2c1CCNC2 72473965 FPUXTZFOFKBLRP-BONVTDFDSA-N 290.411 1.025 0 50 CDAA Cc1n[nH]c(CNC(=O)c2ccccc2N(C)C)n1 82286028 AABLFAQDBWRROL-UHFFFAOYSA-N 259.313 1.109 0 50 CDAA COC(=O)CNCCCc1cc(Cl)ccc1O 222089904 BAHGCYPLANVVBV-UHFFFAOYSA-N 257.717 1.741 0 50 CDAA COCC(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 496935978 CLXRRLPANXUOLM-NEPJUHHUSA-N 298.383 1.348 0 50 CDAA Cc1ccc(C(=O)NS(=O)(=O)Cc2ccon2)cc1C 177699930 COXCTVBDZFOFMV-UHFFFAOYSA-N 294.332 1.551 0 50 CDAA CO[C@H](CNC(=O)c1cn(C)nn1)c1ccc(Cl)cc1 289832104 UBTKQZIAIDIAAR-GFCCVEGCSA-N 294.742 1.586 0 50 CDAA O=C(CCC(F)(F)F)N[C@H]1CCC[C@@H](CO)C1 383749795 JROHEAWMYHQREB-BDAKNGLRSA-N 253.264 1.996 0 50 CDAA CN1C(=O)C[C@H](CNC(=O)c2cnc[nH]2)c2ccccc21 220132644 DITPIDQWPDBZHQ-SNVBAGLBSA-N 284.319 1.290 0 50 CDAA O=C1CCc2cc(C(=O)N3CC[C@H](C(=O)O)C3)ccc2N1 178268783 JDCVPCXRZJBHQK-NSHDSACASA-N 288.303 1.118 0 50 CDAA N[C@@H]1[C@H]2CC[C@@H]1CN(C1CSCCSC1)C2 426370925 IMCWSOOUPNDSRT-IAZYJMLFSA-N 258.456 1.504 0 50 CDAA COC(=O)Cn1nc(-c2ccccc2F)ccc1=O 40287187 VOYBRRBDXUTWSR-UHFFFAOYSA-N 262.240 1.222 0 50 CDAA CNC[C@@H]1CCN(C(=O)Cc2cc(F)ccc2F)C1 178987586 WLSHAHXVBUHLFS-JTQLQIEISA-N 268.307 1.575 0 50 CDAA CC(C)c1cc(C(=O)N2CCC(F)(F)[C@H](CO)C2)no1 292308364 NHJUNZIBAUCODQ-VIFPVBQESA-N 288.294 1.888 0 50 CDAA Cc1nc[nH]c1CNC(=O)CC[C@@H](C)N1CCCC1 426491018 HAAGQLSXXGZPHA-LLVKDONJSA-N 264.373 1.599 0 50 CDAA O=C(N[C@@H]1CCCNC1)c1cnc2c(c1)CCCC2 97619403 LCKLUJNTHSIUAR-CYBMUJFWSA-N 259.353 1.442 0 50 CDAA O=C(CCc1ccsc1)NC[C@H]1CC[C@@H](CO)O1 293781138 WPJLWWYOYPKZAV-NEPJUHHUSA-N 269.366 1.337 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)O)[C@H](O)C1 97759111 XLRDLXKAKYGCOY-PRHODGIISA-N 259.302 1.079 0 50 CDAA COC(=O)CC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 96898507 YTCSCDOENDCHCN-SECBINFHSA-N 271.313 1.376 0 50 CDAA COCCN(C)[C@H](C(=O)O)c1cccc2c1OCC2 95389478 OYWRSGJITNVBBU-LBPRGKRZSA-N 265.309 1.325 0 50 CDAA COCC1(CNC(=O)[C@H](c2cccc(F)c2)N(C)C)CC1 95382253 FYLSSHZXBNEQGF-AWEZNQCLSA-N 294.370 1.971 0 50 CDAA O[C@H]1CN(CCCc2cccnc2)C[C@@H]1N1CCCCC1 244678751 IJEWNUGCCOKROG-IRXDYDNUSA-N 289.423 1.545 0 50 CDAA Cc1cc(N2CCCN(C[C@H]3CCOC3)CC2)ccn1 244900019 ZUPAMLROIQTGSE-OAHLLOKOSA-N 275.396 1.939 0 50 CDAA C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCOC1 246354024 GEOFNDXKKIDFQM-JSGCOSHPSA-N 274.364 1.890 0 50 CDAA COC(=O)C1[C@H]2C=C[C@H]3C(C(=O)OC)[C@@H]4C=C[C@H]1[C@H]4[C@@H]23 247655330 OWWNLADWOGGFSI-BWIIJZCESA-N 274.316 1.429 0 50 CDAA CCc1cnc(C)nc1C[C@@H]1CC(=O)N(CCOC)C1 244874612 XEFHASAWMFGTMM-GFCCVEGCSA-N 277.368 1.385 0 50 CDAA O[C@@]1([C@@]2(O)[C@H]3C=C[C@@H]4C=C[C@@H]2[C@H]34)[C@H]2C=C[C@@H]3C=C[C@@H]1[C@H]23 247777433 YEIRPFJKGOBAFF-PTUNGFEXSA-N 266.340 1.685 0 50 CDAA C[C@@H](CC(=O)OC(C)(C)C)NCc1nnc2ccccn12 183818745 LFGPSGZKCKSDKX-NSHDSACASA-N 290.367 1.939 0 50 CDAA CN(Cc1csc2ccccc12)C(=O)[C@@H]1C[C@@H](O)CN1 299748507 HGSJVZJSUOUEAJ-YPMHNXCESA-N 290.388 1.583 0 50 CDAA CC[C@H](C)[C@@H](CO)NC(=O)c1cc(CC(C)C)[nH]n1 252527477 CQCUJTNAQLSDBL-GXFFZTMASA-N 267.373 1.745 0 50 CDAA CC(C)[C@@H]1CCO[C@@H]1C(=O)Nc1cnn(CCF)c1 628767798 DXRQDVFSDMJXKP-RYUDHWBXSA-N 269.320 1.852 0 50 CDAA CCCc1nnsc1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O 534583412 KBEDTHYPUVCKFU-RKDXNWHRSA-N 294.380 1.041 0 50 CDAA c1c[nH]c(CCNC2CCN(C3CCCC3)CC2)n1 534661972 YNYZRROTCPGNSH-UHFFFAOYSA-N 262.401 1.949 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)CC1CC(C)(C)NC(C)(C)C1 534588379 DBPXLUIRRVEHRU-STQMWFEESA-N 298.427 1.463 0 50 CDAA CCOCCN1C[C@H](NC(=O)OC(C)(C)C)CC1=O 381966427 IPNQFOPRBUTJQZ-SNVBAGLBSA-N 272.345 1.149 0 50 CDAA Cc1nc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)[nH]c1C 299781387 DNUOUGZPEJTBSA-ZDUSSCGKSA-N 278.400 1.715 0 50 CDAA Cc1cc(C(=O)N(C)C2CCSCC2)c(=O)n(C)c1C 299759683 MQCCTLVBIPHXCG-UHFFFAOYSA-N 294.420 1.970 0 50 CDAA CCc1ocnc1C(=O)N1CC[C@H](c2nc(C)no2)C1 299800294 VOQGGTZRAUICPM-VIFPVBQESA-N 276.296 1.558 0 50 CDAA CCCc1cnc(N[C@@H]2CCS(=O)(=O)C2)nc1 823012052 NOLOJKQHWISIDR-SNVBAGLBSA-N 255.343 1.028 0 50 CDAA CCCCNC(=O)NCC1(N)CCC(F)(F)CC1 725254991 MSAVRBNTQKAWQJ-UHFFFAOYSA-N 263.332 1.993 0 50 CDAA Cc1cc(CNC(=O)Cc2sc(=N)[nH]c2C)ccn1 584887418 JHRDRQYKUMEMMW-UHFFFAOYSA-N 276.365 1.426 0 50 CDAA Cc1nc2c([nH]1)CN(C(=O)c1ccc3nn[nH]c3c1)CC2 584887165 LBSDPWQCHCOYLS-UHFFFAOYSA-N 282.307 1.188 0 50 CDAA CC(C)[C@@H](CO)CNC(=O)c1cc(C(C)(C)C)nc(O)n1 670440226 YMSUGXWUVAPFJE-SNVBAGLBSA-N 295.383 1.474 0 50 CDAA Cc1nccc(C(=O)NC[C@@H](C(=O)O)C2CCCCC2)n1 630264886 JZIBVIXJCNYMEP-GFCCVEGCSA-N 291.351 1.796 0 50 CDAA Cn1ccnc1C1(O)CCN(c2ncc(Cl)cn2)CC1 1548520467 PBFSJMFFJLGSTK-UHFFFAOYSA-N 293.758 1.352 0 50 CDAA CC1(Cn2cc(CC3(CO)CCC3)nn2)COC1 1875267018 ZCSANYLCKPYSSY-UHFFFAOYSA-N 251.330 1.020 0 50 CDAA c1cc(-c2n[nH]c(=N[C@@H]3CCN4CCCC[C@H]34)s2)no1 1875275364 CELQAJZSLWWARA-MWLCHTKSSA-N 291.380 1.654 0 50 CDAA Cc1nc2cc(F)ccc2cc1C(=O)N1CC2(N)CC1C2 1875305818 JDTOESRMGDGCFO-UHFFFAOYSA-N 285.322 1.998 0 50 CDAA Cc1cc(Cl)ccc1CN(C=O)C[C@](C)(O)CN(C)C 1875325311 LRYHMAZBPNUUMN-OAHLLOKOSA-N 298.814 1.919 0 50 CDAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CCc3ccccc31)C2 885938893 GVNOXVFYVCANRH-CLWVCHIJSA-N 270.376 1.912 0 50 CDAA CC(C)(C)c1nc(N)nc(N2CCO[C@H](C(F)F)C2)n1 893708315 HWTDIZMAEPIIBF-ZETCQYMHSA-N 287.314 1.222 0 50 CDAA CCn1nccc1CN1CCO[C@H](C)[C@H]1c1nc(C)no1 1775961430 ZDXVADRYHHDBHR-MFKMUULPSA-N 291.355 1.556 0 50 CDAA COc1cc(NC(=O)c2ccc(OC)nc2OC)ncn1 1190233929 ZPIMAYAHBBJDSO-UHFFFAOYSA-N 290.279 1.150 0 50 CDAA Cc1oc(C(C)C)cc1C(=O)N1CC[C@](C)(O)[C@H](O)C1 1565507629 BIAZFWDJAZIVCE-HIFRSBDPSA-N 281.352 1.669 0 50 CDAA COc1ccc2c(n1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 1535645756 KEPOFCHCGFTVGT-VIFPVBQESA-N 294.307 1.841 0 50 CDAA C[C@H](NC(=O)c1nc(C2CC2)no1)c1ccccn1 631320612 GAMQWWIRYGOHFE-QMMMGPOBSA-N 258.281 1.833 0 50 CDAA COC1(CNC(=O)c2cn(C)nc2[C@H]2CCOC2)CCC1 276240908 KSNKICZOBNMUGF-NSHDSACASA-N 293.367 1.223 0 50 CDAA O=C(NCC1=CCNCC1)[C@H]1COc2ccccc2C1 169255923 GPFFIYZYASJKCC-CQSZACIVSA-N 272.348 1.274 0 50 CDAA Cc1cc(S(=O)(=O)NC(C)(C)CC(N)=O)c(C)s1 186708662 QKBFQUWDSINGAV-UHFFFAOYSA-N 290.410 1.297 0 50 CDAA Cc1cccc2nc(C(=O)NCc3ccc(C(=O)O)o3)cn12 170025719 JPWCIVXLOFZUHW-UHFFFAOYSA-N 299.286 1.864 0 50 CDAA COC(=O)[C@@H]1CCN(C(=O)c2ccoc2)C[C@@H]1C 170610025 MGEMLJBCHLOQSZ-GXSJLCMTSA-N 251.282 1.551 0 50 CDAA C[C@@]1(O)CCN(C(=O)c2c[nH]c3cc(F)ccc23)C1 170611828 QXVLEZPVYCLLFH-CQSZACIVSA-N 262.284 1.904 0 50 CDAA COC(=O)C1(C(=O)N2CCOC[C@H](C3CCC3)C2)CC1 408122286 VPKQQPGUKMZADV-GFCCVEGCSA-N 281.352 1.215 0 50 CDAA CC(C)c1ncsc1C(=O)N1CCO[C@H]([C@@H](C)O)C1 408471531 SQEQSQIAZAXLDP-ZJUUUORDSA-N 284.381 1.488 0 50 CDAA O=C(NS(=O)(=O)C1CCC1)c1ccc(Cl)o1 408480495 CTWIVJLADITMEJ-UHFFFAOYSA-N 263.702 1.545 0 50 CDAA COc1ccccc1S(=O)(=O)N[C@@H]1CCCOC1 171541720 BEOCZGFQOTVPBA-SNVBAGLBSA-N 271.338 1.153 0 50 CDAA CO[C@H](C)[C@H](C)NC(=O)c1ccc(N(C)C)cc1 188300600 JWXALSOJVNIEDJ-WDEREUQCSA-N 250.342 1.906 0 50 CDAA CN(C(=O)CCc1cncs1)C1CCOCC1 556460713 WERGDKNSNDGQEW-UHFFFAOYSA-N 254.355 1.713 0 50 CDAA CN(C)c1ccc([C@H]2CCCN2Cc2cc[nH]n2)nn1 643707500 YPVKYBVURVFIMW-CYBMUJFWSA-N 272.356 1.603 0 50 CDAA COC(=O)[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](C)O 191960721 UIWXCHJXSIYADN-UTINFBMNSA-N 283.290 1.620 0 50 CDAA Nc1ncncc1C(=O)N[C@@H]1CCOc2ccc(F)cc21 192348802 NFLXJWKYFUTWEW-LLVKDONJSA-N 288.282 1.452 0 50 CDAA O=C(NC[C@@H]1CCNCC1(F)F)c1c[nH]nc1C1CC1 566211214 GVVXMXWUGXOMBV-VIFPVBQESA-N 284.310 1.262 0 50 CDAA O=C(Cc1c[nH]c2cc(F)ccc12)NC1CCNCC1 569860244 SHWOVFTTZUWBFH-UHFFFAOYSA-N 275.327 1.718 0 50 CDAA OCC1CC(Nc2nccc(-c3cnccn3)n2)C1 664648490 HGLUBROOUSHRTE-UHFFFAOYSA-N 257.297 1.116 0 50 CDAA O=C1O[C@@H](CSc2nc3cncnc3[nH]2)CC12CC2 762970800 XBKPACPBTZPLLX-SSDOTTSWSA-N 276.321 1.541 0 50 CDAA CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc(C(N)=O)n2)C1 582344718 UGEXWQPTWDQIDH-WDEREUQCSA-N 275.352 1.831 0 50 CDAA C[C@@H]1C[C@@H](C(=O)NCCn2ccnn2)CC(C)(C)C1 584908509 VVCASRUDBGWKOX-VXGBXAGGSA-N 264.373 1.857 0 50 CDAA CC[C@H]1C(=O)N(C)CCN1c1cc(Cl)nc(C)n1 585098813 DXKHRDZGMOWZHO-VIFPVBQESA-N 268.748 1.495 0 50 CDAA CC(C)n1cc(NC(=O)[C@@H]2CCC(=O)N2C)cn1 585083016 CAZVTQDOGGCYOV-JTQLQIEISA-N 250.302 1.023 0 50 CDAA Cn1ncc2c(N)nc(NCCCC[C@H]3CCCO3)nc21 1506404984 GZQMOOWQIRCYSS-JTQLQIEISA-N 290.371 1.707 0 50 CDAA CCn1nc(CO)c2c1CCN(c1ncccc1F)C2 1506424675 MMBZYADXVCTRQB-UHFFFAOYSA-N 276.315 1.492 0 50 CDAA CN(C)C[C@@H]1COCCN(c2ncccc2F)C1 1506412727 MSYLGCVTMXLLJZ-NSHDSACASA-N 253.321 1.235 0 50 CDAA CCC(CC)(CO)CN(C)C(=O)c1ccncc1O 1506431314 IAJJQBGXQCNQKQ-UHFFFAOYSA-N 266.341 1.658 0 50 CDAA Cc1nncn1CCN1CCOc2ccccc2C1 1506404040 ARRKNSIUXXERLV-UHFFFAOYSA-N 258.325 1.481 0 50 CDAA Cc1nc(-c2nccn2[C@H]2CCN(C)C2=O)n(C)c1C 1857708580 AYFCWYQUYYRHSE-NSHDSACASA-N 273.340 1.304 0 50 CDAA Cc1ncc(CN(C)CC2(O)CCOCC2)s1 123176590 HNHUSODDKOCQIY-UHFFFAOYSA-N 256.371 1.425 0 50 CDAA CN(C)c1nc(NC(C)(C)CN2CCOCC2)ncc1F 1704325747 QMFDFTRYCXFPIS-UHFFFAOYSA-N 297.378 1.204 0 50 CDAA CC(C)COCCN1CCS(=O)(=O)c2ccccc2C1 253398420 OOVXIHMUEOAAJC-UHFFFAOYSA-N 297.420 1.949 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)O)cc1Cl 261708468 PIXRCGRDOFKELQ-QMMMGPOBSA-N 291.756 1.742 0 50 CDAA CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(C(=O)O)c1 262801824 RQJYQOSZXOVKMB-UHFFFAOYSA-N 299.348 1.537 0 50 CDAA COC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 32629080 FRSJJRXFHYGDSO-RKDXNWHRSA-N 273.329 1.920 0 50 CDAA in-vitro CC(C)c1oncc1NC(=O)[C@H](C)CS(C)(=O)=O 1615548424 MTXBXZIRKOMDIH-MRVPVSSYSA-N 274.342 1.417 0 50 CDAA COc1cccc2c1CC[C@]2(N)C(=O)NCC(C)(F)F 1615553532 LRKFGZJJMFOPOJ-CQSZACIVSA-N 284.306 1.567 0 50 CDAA Cc1cnn(C2CCN(S(=O)(=O)C3(C)CC3)CC2)c1 1615626248 GIKXOZJZCZKGBA-UHFFFAOYSA-N 283.397 1.711 0 50 CDAA COc1nccc(CNC(=O)N2CCC3(CCCC3)C2)n1 1615627645 SWTVKYJHIIBLMQ-UHFFFAOYSA-N 290.367 1.961 0 50 CDAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1cc(C)c(O)c(C)c1 1772711662 CBTZWLCMYVYPCJ-QWHCGFSZSA-N 278.352 1.116 0 50 CDAA Cc1cccc(C)c1NC(=O)N1C[C@@H]2CNC[C@@]2(CO)C1 1772702045 QHDSSKOELDLMFT-BBRMVZONSA-N 289.379 1.349 0 50 CDAA O=C(O)c1cccc(OCCN2CCOCC2)c1 11802321 VWYBZJICHYTQGB-UHFFFAOYSA-N 251.282 1.096 0 50 CDAA 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C[C@H]1CCc2ccccc2N1C(=O)COCc1nn[nH]n1 585122858 CFASZNUSHIQORV-JTQLQIEISA-N 287.323 1.084 0 50 CDAA O=C(/C=C/c1ccco1)N1CCC(c2nnc(O)o2)CC1 773496859 KOWPSGWTJXZXMF-ONEGZZNKSA-N 289.291 1.788 0 50 CDAA CCOCC(=O)N(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 1506404415 XSZTYEGWUXFGEB-NSHDSACASA-N 270.373 1.128 0 50 CDAA Nc1nc(NCCCC[C@H]2CCCO2)c2ncnc-2[nH]1 1506419541 RZWRUWFZPQUVLQ-VIFPVBQESA-N 276.344 1.648 0 50 CDAA CN(CC1(CO)CCCC1)c1ccc(C(=O)O)nn1 1506400157 ANPUNWWEJZEWPG-UHFFFAOYSA-N 265.313 1.164 0 50 CDAA CCCn1nc(C)c(NC(=O)c2ccc(=O)n(C)c2)c1C 1529190196 GIEXSNJGSWNYNB-UHFFFAOYSA-N 288.351 1.861 0 50 CDAA Cc1ncc(CN(CCO)C(=O)Cc2ccsc2)[nH]1 1704337079 UFBUJMLTPHWTOA-UHFFFAOYSA-N 279.365 1.343 0 50 CDAA CC(C)CCCN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704340797 MLWZZHYGMGLRNZ-UKRRQHHQSA-N 263.385 1.748 0 50 CDAA CCC1(CC)[C@@H](NC(=O)[C@H]2CSCN2)C[C@H]1OC 236634137 RPSLWYAPEUOTSM-OUAUKWLOSA-N 272.414 1.359 0 50 CDAA COc1cc(C)c(C(=O)N2CC[C@H](N)C2)cc1OC 237281325 MSHUDAGKRWTCDX-JTQLQIEISA-N 264.325 1.185 0 50 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COC(=O)CCN1C(=O)c2cccc3cccc(c23)C1=O 3892633 ZTHWUGADPLOCHI-UHFFFAOYSA-N 283.283 1.999 0 50 CDAA CN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccc2c(c1)OCO2 4792749 VGQOMLZXAWLUNP-PRHODGIISA-N 263.249 1.019 0 50 CDAA C[C@H](O)CN1CCN(c2cnc3ccccc3n2)[C@@H](C)C1 230145829 UJQBZTXNEFJCJO-STQMWFEESA-N 286.379 1.521 0 50 CDAA CN(C[C@H]1CCOC1)C(=O)NCCOCc1ccccc1 176404524 UBAMBKJACDIOOB-OAHLLOKOSA-N 292.379 1.881 0 50 CDAA CCOCCN1CCN([C@H](C)C(=O)N2CCCC2)C[C@H]1C 248266865 FKBBFNQMXQHPFU-HUUCEWRRSA-N 297.443 1.040 0 50 CDAA CC(C)Oc1ccc(CCN2C[C@H](C(=O)O)CC2=O)cc1 65527568 FGXTUXIMMZUNMW-CYBMUJFWSA-N 291.347 1.949 0 50 CDAA CC(C)[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)C(N)=O 135490058 DVADZEOULDWOGP-RYUDHWBXSA-N 297.399 1.287 0 50 CDAA CC[C@H](NC(=O)C1CCN(C(C)=O)CC1)c1ccnn1C 67654504 QZZFJQDDRSNJFD-ZDUSSCGKSA-N 292.383 1.246 0 50 CDAA COC(=O)[C@@H](C)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 328588573 IPCOAYZEVMCRJJ-BMFZPTHFSA-N 288.391 1.612 0 50 CDAA Cn1cc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cn1 328592135 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O=C(NCc1ccc(C(=O)O)cc1)N[C@H]1CCCOC1 109551011 WDDBQESKYZQJCC-LBPRGKRZSA-N 278.308 1.363 0 50 CDAA CN1CCCN(Cc2cc(F)cc(F)c2)CC1=O 225528643 CQMOEUSVBJKVRF-UHFFFAOYSA-N 254.280 1.629 0 50 CDAA O=C(CN1CCO[C@H]2CCCC[C@H]21)Nc1nccs1 230126997 KZPDSQPDMLGQRB-MNOVXSKESA-N 281.381 1.725 0 50 CDAA CC(C)c1ncc(Cl)c(C(=O)N2CCC(N)CC2)n1 236863269 DLLFCPGIXHFENN-UHFFFAOYSA-N 282.775 1.817 0 50 CDAA Cc1cc(N2CCN(Cc3cccs3)CC2)nc(N)n1 32517972 BDNKNVVCRYVEDA-UHFFFAOYSA-N 289.408 1.751 0 50 CDAA CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccncc2)C1 164536893 BMDSSSDLQHDZCX-KGLIPLIRSA-N 259.353 1.638 0 50 CDAA O=C(O)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 71749869 VTZFNIXLTKXCHU-UHFFFAOYSA-N 290.241 1.516 0 50 CDAA CCCc1nc(C(=O)N2CC[C@@](O)(CN(C)C)C2)cs1 72150288 OVZDPQFAUMJMRD-CQSZACIVSA-N 297.424 1.234 0 50 CDAA CCN(Cc1nc(C)cc(C)n1)[C@H]1CCS(=O)(=O)C1 77286344 AJOICIABKQJHHR-LBPRGKRZSA-N 283.397 1.102 0 50 CDAA O=C([C@H]1CCCO1)N1C[C@H]2CCCC[C@@]2(C(=O)O)C1 621613232 ZEVHVWOVOUEELN-JTNHKYCSSA-N 267.325 1.269 0 50 CDAA CC1(CO)CN(C(=O)COc2ccc(F)cc2)C1 622649609 ZEWYOFUAUXCCEI-UHFFFAOYSA-N 253.273 1.045 0 50 CDAA CC(C)[C@@H](CNC(=O)c1ccc(F)c(O)c1)N(C)C 534637904 XLCXVNIWXRBVDI-GFCCVEGCSA-N 268.332 1.847 0 50 CDAA Cc1nnc(CN(C)Cc2nnc(C3CC3)n2C)s1 678624688 KPZQIYOPZNUDMG-UHFFFAOYSA-N 278.385 1.484 0 50 CDAA O=C(CCc1cn[nH]c1)N[C@@H]1COc2ccccc2C1 584886577 AUBGGVMQGQKFQA-ZDUSSCGKSA-N 271.320 1.462 0 50 CDAA c1c[nH]c(-c2noc([C@@]34CCCC[C@@H]3NCC4)n2)n1 900014914 FMGBXFFVFCLGSJ-TVQRCGJNSA-N 259.313 1.633 0 50 CDAA C[C@@H](C(=O)Nc1nnc2ccccn12)n1cc(Cl)cn1 2100548045 TUMNDTBTELAOEX-QMMMGPOBSA-N 290.714 1.779 0 50 CDAA C=CC(=O)N1CCC[C@H](n2cc(C(=O)OCC)cn2)C1 2325885643 QBEXDDPLZQCBNM-LBPRGKRZSA-N 277.324 1.409 0 50 CDAA Cn1cc(CC(=O)N2CCc3ccc(C(=O)O)cc32)cn1 908066551 BEIKHGLSVRXMKD-UHFFFAOYSA-N 285.303 1.250 0 50 CDAA COC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C 49985 CXFWIQZDHLLQLK-NSHDSACASA-N 271.338 1.163 0 50 CDAA O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccccc1 108626 BGKBKUSKONZRQR-UHFFFAOYSA-N 293.330 1.657 0 50 CDAA NC(=O)COc1ccc(Br)cc1Cl 458153 UCTUQVVYCXHAES-UHFFFAOYSA-N 264.506 1.967 0 50 CDAA Cc1nnc(SCC(=O)NCc2ccco2)s1 466320 JRQRWPJOMNDGGX-UHFFFAOYSA-N 269.351 1.848 0 50 CDAA N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)O 1707768 CKGCFBNYQJDIGS-GFCCVEGCSA-N 280.324 1.495 0 50 CDAA CCOC(=O)n1cc(C(=O)OC)c(C(=O)OC)c1 2518991 LIVVNHGPUWPDNO-UHFFFAOYSA-N 255.226 1.066 0 50 CDAA Cc1nc(CN2CCC[C@]23CCCN(C)C3=O)cn1C 2356164331 OZROPUZTOATYNK-HNNXBMFYSA-N 276.384 1.315 0 50 CDAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 3865035 UFFAQFGECWPIEZ-JTQLQIEISA-N 299.348 1.181 0 50 CDAA CC(=O)SCCC(=O)N1[C@H](C(=O)O)CCC[C@H]1C 3882555 JHFOAISYWJRTIM-SCZZXKLOSA-N 273.354 1.510 0 50 CDAA in-vitro COc1ccccc1[C@@H]1[C@@H](C(=O)O)CCC(=O)N1C 4759758 YWQGBDPCWHYSAV-GXFFZTMASA-N 263.293 1.689 0 50 CDAA CCOC(=O)c1[nH]c(Br)c(C(=O)O)c1C 4831046 BOXSDYOFVFBKGG-UHFFFAOYSA-N 276.086 1.961 0 50 CDAA C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(N)=O 4957912 FNCUVGCMJDEBON-MTXFGMJDSA-N 250.342 1.193 0 50 CDAA COC(=O)c1cccc(NC(=O)CCC(=O)O)c1 6698549 FXYTWWGVMMDECP-UHFFFAOYSA-N 251.238 1.277 0 50 CDAA CCOC(=O)c1cccc(NC(=O)CCC(=O)O)c1 6726692 SSUIKJLETKMPOR-UHFFFAOYSA-N 265.265 1.667 0 50 CDAA CCn1cc(S(=O)(=O)NCc2ccc(OC)cc2)cn1 6742462 ZMMFVBJULMUVOD-UHFFFAOYSA-N 295.364 1.390 0 50 CDAA O=C(NCc1ccccn1)c1cc(=O)[nH]c2ccccc12 7988570 MOLSYKOPOFPDNJ-UHFFFAOYSA-N 279.299 1.853 0 50 CDAA O=C(NCCc1cccc(Cl)c1)NC[C@@H]1CNCCO1 416870916 NADVZMFBFYIGGQ-ZDUSSCGKSA-N 297.786 1.170 0 50 CDAA CCC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2843963 WFFFQDVRMNZBKX-UHFFFAOYSA-N 270.354 1.709 0 50 CDAA CCOC(=O)[C@@H]1C[C@H](O)CCN1C(=O)OC(C)(C)C 59798263 ZGUGBQXPZDHWHV-ZJUUUORDSA-N 273.329 1.310 0 50 CDAA Cc1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 20367151 FDKTWPDSEGJALZ-MRXNPFEDSA-N 288.391 1.818 0 50 CDAA aggregator CC(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 23282565 MLNALDQTTAADNX-MRXNPFEDSA-N 258.365 1.708 0 50 CDAA CCCc1[nH]ccc1C(=O)NCCN1CCOC[C@@H]1C 421759946 FCTCXQDTEDJNNG-LBPRGKRZSA-N 279.384 1.418 0 50 CDAA COc1ccc(CNCCCN(C)C)c(OC)c1 54979088 QFECSZWXESTQTG-UHFFFAOYSA-N 252.358 1.745 0 50 CDAA CC[C@@H](C(N)=O)N(c1cccc(C)c1)S(C)(=O)=O 65365923 ZDMANCQTVSCEKG-NSHDSACASA-N 270.354 1.025 0 50 CDAA CC(=O)c1cccc(OCCN2CCN(C)CC2)c1 20325813 HGFDKXOAZMRFDN-UHFFFAOYSA-N 262.353 1.515 0 50 CDAA CCN(CC)[C@H]1CCc2c(c(C(=O)NC)nn2CC)C1 20208927 KCBMWLSAUPEVMD-NSHDSACASA-N 278.400 1.462 0 50 CDAA CCN(C)c1ccc(C(=O)NC[C@H]2CN=C(O)O2)cc1 328589592 SGXDSHBHSYJNFP-LBPRGKRZSA-N 277.324 1.185 0 50 CDAA CCS(=O)(=O)C[C@H](C)NC[C@H]1CCO[C@@H]1C(C)(C)C 328618769 FBUDAMXJONHJHE-XQQFMLRXSA-N 291.457 1.850 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ccon2)n1 331693648 ZKRJOQZNQHIRGU-KCJUWKMLSA-N 264.285 1.328 0 50 CDAA Cc1noc([C@H]2COCCN2C(=O)c2csnc2C)n1 121124504 JHZSELHEPJBVFT-SNVBAGLBSA-N 294.336 1.357 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1 97640 ZYFUNXTYNIYYJI-LLVKDONJSA-N 271.338 1.383 0 50 CDAA biogenic,in-vitro CN(C)c1nccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)n1 332812114 UEUBSOGRIOKUHE-NEPJUHHUSA-N 260.341 1.205 0 50 CDAA NC1CC(c2cc(NCCn3cc(Cl)cn3)ncn2)C1 219284887 VYSHKRACKCEEDF-UHFFFAOYSA-N 292.774 1.643 0 50 CDAA Cc1nc(C2CC2)ccc1C(=O)N1C[C@@H](F)C[C@@H]1CO 333390636 GWHQMFQDMVFFCG-NWDGAFQWSA-N 278.327 1.812 0 50 CDAA Cc1ccc(S(=O)(=O)N2CC[C@@H]([C@H]3CCOC3)C2)cn1 333344439 UHSBJVRRESMBAY-OLZOCXBDSA-N 296.392 1.437 0 50 CDAA Cc1c(NC(=O)N[C@H]2c3ccccc3O[C@H]2C)nnn1C 333361292 LCOCCLBDUCKFEL-JOYOIKCWSA-N 287.323 1.767 0 50 CDAA CO[C@@H]1CN(C(=O)Nc2ccc(C3CCC3)cn2)C[C@H]1O 333686471 PZASSUGSVOVXOP-CHWSQXEVSA-N 291.351 1.573 0 50 CDAA Cc1n[nH]c(C)c1CN(C)CCN1CCCCC1=O 216341319 UTGKMNRRJBAZPY-UHFFFAOYSA-N 264.373 1.471 0 50 CDAA CCn1nnc(C)c1C(=O)N1C[C@@H](C2CC2)[C@H]1C1CC1 333962042 MOUWVJHQIPMTLS-GXTWGEPZSA-N 274.368 1.867 0 50 CDAA O=C(NCc1ccc(F)c(F)c1)N1C[C@@H](F)C[C@H]1CO 334421090 CRPUZCOKDFYYDY-UWVGGRQHSA-N 288.269 1.579 0 50 CDAA CCc1noc([C@H](C)N[C@H]2CCCCC[C@H]2C(N)=O)n1 252586065 NETYIZCHLNVOFQ-AXFHLTTASA-N 280.372 1.717 0 50 CDAA O=C(O)CCN(C(=O)C1[C@@H]2CCC[C@@H]12)C1CCOCC1 238061368 VXEUHPJESZTJCC-VXGBXAGGSA-N 281.352 1.515 0 50 CDAA O=C(N1CCN2CCC1CC2)[C@]1(c2ccccc2)CCNC1 335045486 AAQLOPIIRLKOED-GOSISDBHSA-N 299.418 1.224 0 50 CDAA C[C@H]1CN(c2ccnc(C3CC3)n2)C[C@@H](C)N1CCO 450796008 PQNJAMOBOIQLEV-TXEJJXNPSA-N 276.384 1.245 0 50 CDAA NC(=O)c1cccnc1-c1cccc2c1CCNC2 71755218 MBGQASHWWFQLIS-UHFFFAOYSA-N 253.305 1.493 0 50 CDAA c1cncc(CO[C@H]2CCCN(Cc3c[nH]cn3)C2)c1 72149876 KUPNWHRELBRASL-HNNXBMFYSA-N 272.352 1.986 0 50 CDAA COc1ccc(F)c(F)c1C(=O)NC[C@H]1CCOC1 219794683 BETXFHCZWSCPCZ-MRVPVSSYSA-N 271.263 1.740 0 50 CDAA O=C(N[C@@H]1CCCCNC1=O)c1cccc(-n2cccn2)c1 77540769 FNRFVRQLBSWYSU-CQSZACIVSA-N 298.346 1.271 0 50 CDAA CN(C[C@H]1CCCN([C@H]2C=CCCC2)C1)S(C)(=O)=O 253417342 XDRNTGIBIUYOCI-KGLIPLIRSA-N 286.441 1.699 0 50 CDAA C[C@@H](C(=O)NCCCc1ccco1)N1CCCC1=O 215533164 CVCQLVJAFXTCCW-NSHDSACASA-N 264.325 1.339 0 50 CDAA CC(=O)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 39404042 IFRPMPMOIRLYIX-LBPRGKRZSA-N 258.277 1.184 0 50 CDAA biogenic C[C@H]1CN(C(=O)Cc2ccc(-n3cccn3)cc2)C[C@H](C)N1 153799675 SWWVKUACALATRO-KBPBESRZSA-N 298.390 1.624 0 50 CDAA COC[C@@H]1CN(Cc2nc(C)c(C)o2)CC(C)(C)O1 343351038 VIDXPELWRQZWFH-LBPRGKRZSA-N 268.357 1.917 0 50 CDAA CC(=O)NCCNc1ccc(Nc2ccc(C)cn2)nn1 72434118 NVYBNGYZIGFOHR-UHFFFAOYSA-N 286.339 1.472 0 50 CDAA CCNC(=O)N1CC[C@H](Cc2ccc(C(=O)O)cc2)C1 72431211 RSLJBGQIMJRMIM-GFCCVEGCSA-N 276.336 1.979 0 50 CDAA NC(=O)c1cnc(NC(=O)CCC2CCOCC2)s1 175087963 ALIAZARQJMIJDF-UHFFFAOYSA-N 283.353 1.387 0 50 CDAA C[C@@H](N)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 261884994 SFQKXPCVCRXKOP-LLVKDONJSA-N 270.336 1.104 0 50 CDAA CNCC(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 72468145 SGDFCEGSIAIUFL-CQSZACIVSA-N 295.814 1.640 0 50 CDAA CN(CCn1ccnc1)Cc1ccccc1OCCO 215770699 BLQIMQMTSPISJQ-UHFFFAOYSA-N 275.352 1.386 0 50 CDAA Cn1cc([C@H](NC(=O)CC2=CCCC2)[C@H]2C[C@@H](O)C2)cn1 218972147 BIOOZJQRLCPLCQ-XNRPHZJLSA-N 289.379 1.849 0 50 CDAA COc1ccc2c(c1)OCC[C@H]2N=c1[nH]nc(C)o1 376456006 SSQWRFSSMQLBKE-LLVKDONJSA-N 261.281 1.744 0 50 CDAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)[C@H]1COCCN1 262628119 LWNRJJMSFBIXKR-VHDGCEQUSA-N 274.364 1.379 0 50 CDAA Cc1cn(CC(=O)Nc2cnn(C)n2)nc1-c1ccccc1 48135014 XMPFNRHAYYTVLS-UHFFFAOYSA-N 296.334 1.626 0 50 CDAA Cc1csc([C@@H]2CN([C@H]3C[C@@H](C)OC3=O)CCO2)n1 225214879 LPIRMWHADVIRNS-VWYCJHECSA-N 282.365 1.529 0 50 CDAA CC(C)n1cnnc1CN(C)C(=O)CCc1cnn(C)c1 82138329 VFDCGJSFWFQTCN-UHFFFAOYSA-N 290.371 1.184 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)O)c(O)cn1 426397393 LKAQKTMFGCFVLL-ZDUSSCGKSA-N 264.281 1.175 0 50 CDAA CN(C(=O)c1cccc(Oc2cnccn2)c1)[C@@H]1CCNC1 179083919 KXXUWSKTWJODHZ-CYBMUJFWSA-N 298.346 1.703 0 50 CDAA CCN(C(=O)[C@@H](C)NC(=O)C1CCCC1)[C@H]1CCN(C)C1 617557602 OZDMMQXMFBKZLJ-OCCSQVGLSA-N 295.427 1.234 0 50 CDAA CC[C@H](NC(=O)c1cnco1)c1cn2cccnc2n1 221357916 XOXFWMPLWQOZKF-VIFPVBQESA-N 271.280 1.598 0 50 CDAA CC(C)OCCCN=c1cc([C@@H]2CCOC2)nc[nH]1 426388418 OHWUFYTWWAOZFW-GFCCVEGCSA-N 265.357 1.629 0 50 CDAA CN(Cc1ccccc1)c1cc(C2CC(N)C2)nc(N)n1 220713290 MECHXJCNXJCAAD-UHFFFAOYSA-N 283.379 1.900 0 50 CDAA Cc1nn2cc(CNC(=O)[C@@H](C)n3cccn3)nc2s1 426442735 VOMBKEUVUMWEKN-MRVPVSSYSA-N 290.352 1.173 0 50 CDAA Cc1cnc(CNC(=O)c2cc(-c3ccncc3)n[nH]2)cn1 97087997 IIUDLVIXNVEQMB-UHFFFAOYSA-N 294.318 1.500 0 50 CDAA COC(=O)c1cnc2c(Br)cccn12 238333144 HABCACFGQHBGPE-UHFFFAOYSA-N 255.071 1.883 0 50 CDAA COc1ccc(F)c(-c2cc(N)nc(N(C)C)n2)c1 97425297 UFBJIGGNOCECEL-UHFFFAOYSA-N 262.288 1.940 0 50 CDAA COc1ncccc1-c1nc(-c2cccnc2)nn1C 95531171 IEHWBHSOPFWMOG-UHFFFAOYSA-N 267.292 1.948 0 50 CDAA COc1cccc(C(=O)[C@H]2CCCN(CCC(N)=O)C2)c1 91663708 OLMOYPZYRWHIAB-ZDUSSCGKSA-N 290.363 1.465 0 50 CDAA Cc1cc(C)n([C@@H](C)c2nc(-c3cccnn3)no2)n1 91391218 PVTMQNMSPQNITN-JTQLQIEISA-N 270.296 1.949 0 50 CDAA C[C@@H](NC(=O)CCc1cccc(F)c1F)C(=O)O 237582895 PWKNRWDAVVHJDE-SSDOTTSWSA-N 257.236 1.487 0 50 CDAA COCc1nc(CNC(=O)c2cc(CC(C)C)no2)no1 91966202 WRGQGXNTJINNFP-UHFFFAOYSA-N 294.311 1.333 0 50 CDAA CCc1nc(N)nc(NCCNc2cccnc2)c1C 95377799 KNCHAICFGZJWSP-UHFFFAOYSA-N 272.356 1.849 0 50 CDAA CS(=O)(=O)c1ccc(-c2nc([C@H]3CCOC3)no2)cc1 96140396 MCJFLIIXOBYSPH-JTQLQIEISA-N 294.332 1.644 0 50 CDAA C1CCN([C@H]2COC[C@@H]2Nc2nnc(C3CC3)o2)C1 95389217 KXMFQTHABMBWCN-QWRGUYRKSA-N 264.329 1.222 0 50 CDAA Cc1ccccc1[C@@H](O)CNC(=O)[C@@H](N)CC(C)C 236699609 JHHWKBFXRVOILL-KBPBESRZSA-N 264.369 1.518 0 50 CDAA O=C1[C@H]2CC[C@H](CN(c3ncccn3)C2)N1CC1CCC1 91326357 SMMULNHZOSZARR-UONOGXRCSA-N 286.379 1.704 0 50 CDAA COc1ccc([C@@H](NC(=O)CSC)[C@H]2C[C@@H](O)C2)cn1 252527834 DLYXAJDKLLEJQG-UHIISALHSA-N 296.392 1.381 0 50 CDAA Cn1ncc(Br)c1[C@]12CCOC[C@H]1O2 521399631 ZXSDPHLCAMFTKX-APPZFPTMSA-N 259.103 1.197 0 50 CDAA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cnc[nH]1 252489324 JOFOAPUHGANADZ-MRVPVSSYSA-N 262.338 1.982 0 50 CDAA CC[C@@H](NC(=O)c1[nH]nnc1C)c1ncccc1C 534584219 NYSQXQISJJQPKR-SNVBAGLBSA-N 259.313 1.698 0 50 CDAA O=C(c1cnc[nH]1)N1CCCN(C2CCCC2)CC1 299790660 CEQLLCCUKGLDKM-UHFFFAOYSA-N 262.357 1.500 0 50 CDAA CCn1cc(C(=O)N2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cn1 299764298 TZGVYSGWCWHQTL-KCQAQPDRSA-N 293.367 1.048 0 50 CDAA Cc1ncnc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1C 299762252 SMLYRLAWCPMDMZ-STQMWFEESA-N 286.339 1.035 0 50 CDAA Cn1c(Sc2ccncc2)nnc1C1CCNCC1 825631139 FQYKMHVDOIFICC-UHFFFAOYSA-N 275.381 1.828 0 50 CDAA Cc1cc(CN[C@@H](C)CN2CCOCC2)cnc1C 584902720 WLIAATHYJSMVHK-ZDUSSCGKSA-N 263.385 1.509 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)COc1ccc(C)c(C)c1 824506766 QAZANNXJMCAPLK-KBPBESRZSA-N 279.336 1.212 0 50 CDAA Cc1[nH]c(=N)sc1CC(=O)N(C)CCCn1cccn1 584899491 PIUHYLZWWLQJHR-UHFFFAOYSA-N 293.396 1.152 0 50 CDAA N[C@]1(CO)CCCN(c2nc(C3CCCC3)ns2)C1 900375594 IYQNLBQOZVCZSD-CYBMUJFWSA-N 282.413 1.486 0 50 CDAA CCCc1cc(CNS(=O)(=O)N2CCCC2)on1 670469359 IKORDNLGVFRZBB-UHFFFAOYSA-N 273.358 1.057 0 50 CDAA COCCCC1CCN(CC(=O)N2CCCC2)CC1 670457181 LBYYUONMFOOVBT-UHFFFAOYSA-N 268.401 1.747 0 50 CDAA CC(C)c1csc(C(=O)NCCc2nnc(O)n2C)n1 584892701 NANPWUAUMFUTCT-UHFFFAOYSA-N 295.368 1.073 0 50 CDAA CC[C@H](Cn1ccnc1)NC(=O)c1cc(=O)cc(C)o1 584897257 VOCIAGCQXYIDHH-LLVKDONJSA-N 275.308 1.353 0 50 CDAA CC[C@@H](C(=O)N[C@@H](CC1CC1)C(=O)O)C1CCOCC1 1875291555 DLWWXJIMGNNWIH-OLZOCXBDSA-N 283.368 1.809 0 50 CDAA COCC[C@H]1CN(c2nc(=N)[nH]c3c2CCCC3)CCO1 1875275904 LOKHCNVNJNVJCG-NSHDSACASA-N 292.383 1.010 0 50 CDAA C[C@@]1(NC(=O)c2cc(F)c3nc(O)ccc3c2)CCNC1 1875304484 LOJFTPFLNQAHAT-OAHLLOKOSA-N 289.310 1.561 0 50 CDAA O=C1N[C@H](CC(F)(F)F)C(=O)N[C@H]1CC1CCCCC1 1875304395 JGEUIHBZOPNUEV-VHSXEESVSA-N 292.301 1.892 0 50 CDAA Cc1cc(O)nc(N2CC(O)(c3c(F)cccc3F)C2)n1 1875317928 GMHHGAKXGGUDLX-UHFFFAOYSA-N 293.273 1.477 0 50 CDAA Cc1nc[nH]c1CNCc1csc(-c2cnccn2)n1 952975055 XUMUXVDVDJXLEE-UHFFFAOYSA-N 286.364 1.921 0 50 CDAA Cc1cc(C(=O)NC2(c3ncccn3)CCOCC2)no1 886935110 YCUFCYMSUBLZDD-UHFFFAOYSA-N 288.307 1.209 0 50 CDAA Cc1nc(C)c(C)c(N2CCN(c3ccnnc3)CC2)n1 895961966 BLAYISMITRXGRG-UHFFFAOYSA-N 284.367 1.518 0 50 CDAA COC(C)(C)c1noc(COc2ccsn2)n1 1775998664 HNCPIKQPGFDQEN-UHFFFAOYSA-N 255.299 1.987 0 50 CDAA COC(=O)Cn1cc([C@H](C)OC(=O)/C=C(\C)C(C)C)nn1 1775987105 ZDYNIPXYVRNETB-RUYJGKKWSA-N 295.339 1.658 0 50 CDAA CCOc1cc(C(=O)NCC[C@H]2CCCO2)[nH]n1 1353866739 UWXRPOAJZBANCI-SECBINFHSA-N 253.302 1.107 0 50 CDAA CC[C@@](C)(CC(=O)O)C(=O)N[C@@]12CCCC[C@@H]1NC(=O)C2 899855100 BSQDTZYGQMRWCM-NZVBXONLSA-N 296.367 1.195 0 50 CDAA Cn1[nH]c([C@H]2CCCN2C(=O)OC(C)(C)C)nc1=N 1535645773 WSBNRKHMRURKBR-MRVPVSSYSA-N 267.333 1.300 0 50 CDAA CSCC[C@@H](N)C(=O)NCc1nc(C2CC2)cs1 170678149 OEVMAGOCBCZUBW-SECBINFHSA-N 285.438 1.717 0 50 CDAA C[C@@]1(CCNC(=O)c2ccc3c(c2)COB3O)CC1(F)F 585007120 JYFRVMHYRCURFF-CYBMUJFWSA-N 295.094 1.070 0 50 CDAA Cc1nnc([C@H](C)N2CCC[C@@](O)(C(F)(F)F)C2)o1 408188178 DITPJUAMNAIUAO-XVKPBYJWSA-N 279.262 1.828 0 50 CDAA Cn1cc(CC2CN(c3ccc4nccnc4n3)C2)cn1 585117963 KADOJQFVCJGIPH-UHFFFAOYSA-N 280.335 1.437 0 50 CDAA C[C@@H]1CCC[C@H](CNC(=O)NCC2CS(=O)(=O)C2)C1 585137729 RDBYFBMYPVMYPA-MNOVXSKESA-N 288.413 1.157 0 50 CDAA O=C(c1cnn2c1OCCC2)N1CCOCC12CCCC2 551922587 SVOYSLCVCCNDET-UHFFFAOYSA-N 291.351 1.451 0 50 CDAA CN(C[C@@H]1CCCO1)C(=O)c1cn(C)nc1C1CCC1 413337667 SENLUCZWVCSYBB-LBPRGKRZSA-N 277.368 1.939 0 50 CDAA COC(=O)C1(CNC(=O)[C@H](C)C(=O)OC(C)(C)C)CC1 413733053 YYOFOOZNDLSBHZ-VIFPVBQESA-N 285.340 1.034 0 50 CDAA COC(=O)c1cc(C)nc(N2CCC([C@@H](C)O)CC2)n1 225540577 GRJVANQKIBRZEN-SNVBAGLBSA-N 279.340 1.169 0 50 CDAA CNc1ccc(Nc2nc(CCOC)ns2)cn1 225543997 JSIKTHBHVSNXTC-UHFFFAOYSA-N 265.342 1.907 0 50 CDAA CCC1(CC)CN(CC(OC)OC)CC[S@]1=O 189221373 PKKVDAFSDPXVSD-QGZVFWFLSA-N 263.403 1.228 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NCc2noc(C)n2)C1(C)C 190012653 TVIOOJCNADAHNS-MFKMUULPSA-N 269.345 1.034 0 50 CDAA CC(=O)Nc1cccnc1NC(=O)[C@H]1CCCO[C@@H]1C 190195210 YBTBODRCJVRTEH-KOLCDFICSA-N 277.324 1.794 0 50 CDAA O[C@H](CN1CCN(c2cccnn2)CC1)C1CCCCC1 191329926 BVRDEBPTNFNUJD-OAHLLOKOSA-N 290.411 1.540 0 50 CDAA Nc1ncncc1C(=O)NCC1(c2ccccc2)CC1 192330163 XLZVJUSXAWJUKZ-UHFFFAOYSA-N 268.320 1.520 0 50 CDAA C[C@H](CO)C1CCN(C(=O)c2cccn2C)CC1 652864285 GAOPNANJFAVKHV-LLVKDONJSA-N 250.342 1.506 0 50 CDAA CC(C)c1cc(C(=O)N2CCNC[C@@H]2c2ccncc2)n[nH]1 567659042 DYZMLHORARATHQ-OAHLLOKOSA-N 299.378 1.715 0 50 CDAA Cn1ncc(C2CCC2)c1C(=O)N1CC[C@@H](C(=O)O)C1 659142888 HYVNYDNDSFQELF-SNVBAGLBSA-N 277.324 1.234 0 50 CDAA O=C(Cc1ccn(-c2ccccc2)n1)NC[C@@H]1CCC[C@H]1O 571379420 VMSFBMVSCFQSEW-XJKSGUPXSA-N 299.374 1.692 0 50 CDAA CN1C(=O)CCc2cc(NC(=O)Cc3ccnn3C)ccc21 574452953 VOTFNAXPXLYNBK-UHFFFAOYSA-N 298.346 1.510 0 50 CDAA CCn1cc(CN2CCN(C3CCOCC3)CC2)cn1 97766758 JQXAXHAXTZMZGV-UHFFFAOYSA-N 278.400 1.200 0 50 CDAA C[C@H](CN(C)CCO)NCc1cc2cc(F)ccc2[nH]1 1506413205 HZOTWHPTFQTVKW-LLVKDONJSA-N 279.359 1.709 0 50 CDAA Cn1ccnc1CCN1CCC(Oc2ncccn2)CC1 1506410371 SVBGTZIMZPEDEI-UHFFFAOYSA-N 287.367 1.296 0 50 CDAA Cc1cnc(CN[C@@H](C)Cn2nc(C)cc2C)cn1 1506411634 SHULQSZBTREGEX-LBPRGKRZSA-N 259.357 1.777 0 50 CDAA CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 2391157 PHJDCONJXLIIPW-QMMMGPOBSA-N 289.328 1.696 0 50 CDAA in-vitro O=C(NCCNC(=O)c1cccs1)c1cccs1 2779320 YIYNHWGBAFLWIU-UHFFFAOYSA-N 280.374 1.969 0 50 CDAA Cc1nc(C2(NC[C@H](O)C(F)(F)F)CCC2)no1 120274060 ACMAJXVXQPQVCU-ZETCQYMHSA-N 265.235 1.270 0 50 CDAA O=C(O)[C@H]1CCN(C(=O)CCC2CCOCC2)C1 237955082 AIEMLVFJQYFIEO-NSHDSACASA-N 255.314 1.126 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCCN)C2 1704297346 NOJWUPSYSJWNCY-OCCSQVGLSA-N 254.374 1.533 0 50 CDAA C[C@@H](C(=O)NS(C)(=O)=O)c1ccccc1C(F)(F)F 1875390991 CEPFBASROVNOEB-SSDOTTSWSA-N 295.282 1.885 0 50 CDAA CCOCCC1(C(=O)N2C[C@@H](O)C3(CC3)C2)CCCC1 372368583 RPAZADSXQLPRHR-CYBMUJFWSA-N 281.396 1.957 0 50 CDAA CC[C@@H]1CCN1C(=O)NCc1c(C)nn(CCOC)c1C 1615609149 QRLVERCUKBRBMH-CYBMUJFWSA-N 294.399 1.840 0 50 CDAA CCCCS(=O)(=O)NCc1cn2c(n1)CCCC2 263813368 UYIAUEFPDADCOW-UHFFFAOYSA-N 271.386 1.439 0 50 CDAA CCc1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc1 1616040800 FCVVORSTLUISQH-LSDHHAIUSA-N 275.396 1.679 0 50 CDAA CC(=O)Nc1cc(NC(=O)/C=C\C(=O)O)ccc1Cl 5102456 WVNPPAKHAGEFPB-PLNGDYQASA-N 282.683 1.878 0 50 CDAA O=C(O)CC[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 218605697 RCXPMBPHUIYBOA-SNVBAGLBSA-N 278.308 1.092 0 50 CDAA CCc1nc(N)nc(NCCNC(=O)C(C)C)c1C 1772705259 XVRHRQFRHCZKEQ-UHFFFAOYSA-N 265.361 1.114 0 50 CDAA NCCc1nc(-c2ccc(O)c(C(N)=O)c2)cs1 1857532129 BHRGAVGEBYEMTD-UHFFFAOYSA-N 263.322 1.116 0 50 CDAA Cc1nc(CNC(=O)c2cnsc2)n(C)c1C 1857698742 GRHVGISSYYEWMA-UHFFFAOYSA-N 250.327 1.423 0 50 CDAA CCOc1ccc(CNc2nn[nH]n2)cc1OCC 5019211 ARRHXRMWYGIQCI-UHFFFAOYSA-N 263.301 1.609 0 50 CDAA CCC(=O)Nc1nc(O)c(CCCCC(=O)O)c(O)n1 5501003 QOCPRRJHUYXDIW-UHFFFAOYSA-N 283.284 1.034 0 50 CDAA COc1ccccc1N1C(=O)CC(=O)N=C1S 12394874 WFBFJACLEUTVGF-UHFFFAOYSA-N 250.279 1.244 0 50 CDAA O=C(N[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccco1 12457607 MQKSLEDHMAEGGK-CQSZACIVSA-N 298.342 1.853 0 50 CDAA C[C@@H]1CC(=O)NN=C1c1ccc(-n2ccnc2)cc1 13609777 AEZZPAQOEUQNBB-SNVBAGLBSA-N 254.293 1.732 0 50 CDAA in-vivo Cc1ccc(C[n+]2csc(CCO)c2C)c(N)n1 13983227 GPDGHBFOHMKNMQ-UHFFFAOYSA-N 264.374 1.213 0 50 CDAA Cc1nn(C)c2c1[C@H](NC(=O)CNc1cccnc1)CCC2 1857670294 GCEKTLRJOLCKMA-CYBMUJFWSA-N 299.378 1.729 0 50 CDAA CCOC(=O)C[C@H](N)c1ccc2c(c1)OCCO2 3678391 UPDOMKNNTODYIN-JTQLQIEISA-N 251.282 1.411 0 50 CDAA in-vitro Cc1cccc(Cl)c1CN1CCC[C@](O)(CC(N)=O)C1 643808128 RMAVWPXKNFDDNC-HNNXBMFYSA-N 296.798 1.851 0 50 CDAA Cn1ccnc1[C@H]1CCCN(Cc2ncnn2CCF)C1 242284664 YIRSEBRNSTWXQW-LBPRGKRZSA-N 292.362 1.361 0 50 CDAA C[C@H](Cc1ccccc1)CN1CCCN(C(N)=O)CC1 132265431 KGMFQPSWOHKWCD-CQSZACIVSA-N 275.396 1.952 0 50 CDAA Cc1cc(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)no1 132506860 RROTZRKVZPSHEU-SNVBAGLBSA-N 281.356 1.857 0 50 CDAA CCC[C@@H]1C[C@@H]1C(=O)NCC1CCN(CCO)CC1 360382825 VBYYBZXINDGWIY-KGLIPLIRSA-N 268.401 1.243 0 50 CDAA OCCC1CN(Cc2ccc(Cl)cc2-n2cncn2)C1 578962870 LBRRJVXODRAGGP-UHFFFAOYSA-N 292.770 1.735 0 50 CDAA Cc1n[nH]cc1C1CCN([C@H]2CCN(C(C)C)C2=O)CC1 375337793 UUFZYJXFSGJNQU-HNNXBMFYSA-N 290.411 1.907 0 50 CDAA CCOc1ccncc1S(=O)(=O)Nc1cc(C)nn1C 585141093 PHJQITQOHNEASI-UHFFFAOYSA-N 296.352 1.323 0 50 CDAA Cc1n[nH]cc1C(=O)N1CCc2occc2[C@H]1C(=O)O 910203338 VNIKGNAJSPYKHB-NSHDSACASA-N 275.264 1.135 0 50 CDAA C[C@](CN)(NC(=O)c1n[nH]cc1C(F)(F)F)C1CC1 911802893 MGEWVFZXDBOLGN-SNVBAGLBSA-N 276.262 1.286 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(CC2CCC3(CC2)CC3)C1 930777165 IWPJDMLZCHTSBM-KRWDZBQOSA-N 294.439 1.920 0 50 CDAA COc1ccc(S(=O)(=O)Nc2ncccc2O)cc1 5260064 ZAQBWCNAGIPSGO-UHFFFAOYSA-N 280.305 1.597 0 50 CDAA COC[C@H](O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 126238254 LMMIKHHGKFBOQN-KGLIPLIRSA-N 285.771 1.721 0 50 CDAA Nc1ccncc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 127554875 SXXKBZWDRFXKDD-STQMWFEESA-N 261.325 1.447 0 50 CDAA Cc1ccc(OC[C@H](O)CN[C@H]2CCO[C@H]2C)c(C)c1 32523769 YEGOIUNTNBMTEZ-ZNMIVQPWSA-N 279.380 1.810 0 50 CDAA CNC[C@H]1CCCN(S(=O)(=O)CC2CCCC2)C1 262157265 ZKRWQOONGMEMGZ-CYBMUJFWSA-N 274.430 1.438 0 50 CDAA CCN(C(=O)c1ccc2cc[nH]c2c1)[C@H]1CCNC1=O 282566969 ARQYYKHHTBKKCC-ZDUSSCGKSA-N 271.320 1.519 0 50 CDAA C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(F)cc1N 311891112 WIRNIPWDLPJXDQ-KOLCDFICSA-N 266.316 1.783 0 50 CDAA O=C(c1ccns1)N1CCC(C2(O)CC2)CC1 1353728264 VDXOYLKOQOXCPN-UHFFFAOYSA-N 252.339 1.520 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](O)C(C)C)c(F)c1 2325776772 XEWPTYVNIQDUON-MFKMUULPSA-N 289.372 1.818 0 50 CDAA CCN1CCN=C1NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21 2325820562 AMDOZRNAFASPLJ-RBSFLKMASA-N 255.365 1.853 0 50 CDAA N=c1[nH]n(C(=O)C2(O)CCCCC2)c2ccc(F)cc12 2325860633 ODHMLVZOXWXPNS-UHFFFAOYSA-N 277.299 1.923 0 50 CDAA O=C(c1ccncc1-n1cccn1)N1CC=C(F)C1 2325862575 ZNKKRFOTTREYIU-UHFFFAOYSA-N 258.256 1.577 0 50 CDAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1 61885 KTVSQWTTXQPMFE-CYBMUJFWSA-N 290.319 1.886 0 50 CDAA COc1ccc(Cc2nnc(N)s2)cc1OC 177413 BKKKEBSOCPEXSG-UHFFFAOYSA-N 251.311 1.728 0 50 CDAA O=C(Nc1ccc2c(c1)OCCO2)C(=O)N1CCCCC1 2846055 HWMFKLHXYZIRGZ-UHFFFAOYSA-N 290.319 1.409 0 50 CDAA C[C@]1(NC(=O)N2CCCCCC2)CCS(=O)(=O)C1 4559432 RPEXTOVIMXFXSX-LBPRGKRZSA-N 274.386 1.149 0 50 CDAA CC(C)c1nnc(Cn2ccc([C@@H](C)O)n2)s1 863466861 DNGHMCBSNIEIQS-MRVPVSSYSA-N 252.343 1.960 0 50 CDAA CCCNC(=O)[C@@H]1CC(c2cnn(CC)c2C)=NO1 6804879 MKIYANUEFUDKQZ-LBPRGKRZSA-N 264.329 1.231 0 50 CDAA CCOC(=O)N1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1 23282402 HLABMGJVARLIJR-VXGBXAGGSA-N 270.373 1.717 0 50 CDAA COC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 107789425 GZEINRBGCAXDSU-SNVBAGLBSA-N 296.710 1.718 0 50 CDAA Cc1cc(-c2nnc3sc(-c4cc(C)on4)nn23)[nH]n1 22501949 UKCHAJQOPBTCNO-UHFFFAOYSA-N 287.308 1.848 0 50 CDAA CC1=NN([C@@H](NC(N)=O)c2ccccc2)C(=O)C1(C)C 22289108 UGJCEUINZUTMPX-LLVKDONJSA-N 274.324 1.598 0 50 CDAA CCCCCN1CCC[C@H](Cn2cc(CO)nn2)C1 55108874 FCQCNIPHIDAIJP-ZDUSSCGKSA-N 266.389 1.673 0 50 CDAA O[C@H](CN1CCC[C@H]1Cc1ccccc1)Cn1cccn1 247798309 SVAPIBULUZOITC-DLBZAZTESA-N 285.391 1.951 0 50 CDAA CCc1ccc(N(CCCC(=O)NC)S(C)(=O)=O)cc1 67613603 GMVLJANIWMGRIO-UHFFFAOYSA-N 298.408 1.541 0 50 CDAA Cc1ccc(OCCNCCN)c(Br)c1 20117871 CWDIVTPUATZCHC-UHFFFAOYSA-N 273.174 1.685 0 50 CDAA COc1nc(C)cc(C)c1CNC(=O)CCn1cncn1 66780586 PYTLPTUOTXYSAW-UHFFFAOYSA-N 289.339 1.005 0 50 CDAA CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](O)C1CC1 229843558 DMUWDVHXYUKMON-IJLUTSLNSA-N 256.346 1.014 0 50 CDAA CC(C)[C@H]1OCC[C@@H]1CN[C@H](C)CC(=O)N1CCOCC1 328615374 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Cc1ncc(C(=O)N2C[C@H](C)N[C@H](C)C2)c(C(C)C)n1 179162210 KBTJNVCMDVOYFG-PHIMTYICSA-N 276.384 1.731 0 50 CDAA Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1 226628170 WOVSZDGHGOYTMQ-CLROSIBMSA-N 299.326 1.190 0 50 CDAA Cc1ncsc1CCC(=O)NCCSc1ncn[nH]1 82097755 VAVQWLLSEISMMG-UHFFFAOYSA-N 297.409 1.411 0 50 CDAA CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H]1CSCN1 161951817 RFBQGZNAUDUUFJ-ZIAGYGMSSA-N 294.420 1.539 0 50 CDAA CN(Cc1ccccc1)c1cc(C2CC(O)C2)nc(N)n1 222935881 GDVRRWLEHLTTPW-UHFFFAOYSA-N 284.363 1.934 0 50 CDAA CC(C)(C)N1C[C@H](C(=O)N[C@H]2CC[C@H](O)CC2)CC1=O 512675682 PWSRYCGPNOHKAL-IJLUTSLNSA-N 282.384 1.053 0 50 CDAA CN1CCCC[C@@H]1CC(=O)N1CC(c2ccncc2)C1 426399019 KQKAPHKPNKWFIW-OAHLLOKOSA-N 273.380 1.882 0 50 CDAA COc1cc(C)c(-c2cc(=NCCO)[nH]cn2)c(C)c1 426573360 ZOLWEPNNUWAOPA-UHFFFAOYSA-N 273.336 1.595 0 50 CDAA CCS(=O)(=O)CCNC(=O)c1ccc2c(c1)CCCO2 426667734 ZXEYUMBJHLEOPV-UHFFFAOYSA-N 297.376 1.176 0 50 CDAA CCCn1cc(C(=O)N(C)[C@H](C)CC(=O)NC)c(C)n1 91713199 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263326719 OWCXYOPVASLTCQ-JGZJWPJOSA-N 288.278 1.967 0 50 CDAA CCOC(=O)CCCOc1ccc(C=O)c(O)c1 138692545 QVNCWTDCVZRKAD-UHFFFAOYSA-N 252.266 1.927 0 50 CDAA CCn1ncnc1CN1CCN(Cc2ccccn2)CC1 193299672 PCSYWTUVTFSDQX-UHFFFAOYSA-N 286.383 1.011 0 50 CDAA CC(C)(C)n1cc2c(n1)C(=O)CC1(CCNCC1)O2 40450074 SLXKRKVAXHFBEN-UHFFFAOYSA-N 263.341 1.726 0 50 CDAA COC(=O)c1cc(Br)cc(OC)c1N 82315785 RVTIPPUCNSLRLU-UHFFFAOYSA-N 260.087 1.827 0 50 CDAA C[C@H](O)CSc1nnc(CCN)n1-c1ccc(F)cc1 426368307 MJMCKLMHFIXHPI-VIFPVBQESA-N 296.371 1.381 0 50 CDAA NC[C@@H]1CCCN1C(=O)COc1cccc(F)c1 178274593 TVZPMGZQUIGFAI-NSHDSACASA-N 252.289 1.154 0 50 CDAA COc1cc(C)ccc1OCC(=O)N1CC[C@H](CN)C1 178567292 CBQXRSLRVWTHOH-GFCCVEGCSA-N 278.352 1.190 0 50 CDAA Cn1cncc1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1 426563177 UAAILNZWSZPFMB-CQSZACIVSA-N 285.347 1.996 0 50 CDAA CN(CCc1cnn(C)c1)c1cc([C@@H]2CCOC2)ncn1 426430648 HSCUJXAJUJADGN-CYBMUJFWSA-N 287.367 1.393 0 50 CDAA CCCc1cc(C(=O)N2CCO[C@@H](CCOC)C2)n(C)n1 82108023 PUPHIWYLIDGJOE-ZDUSSCGKSA-N 295.383 1.250 0 50 CDAA CC1(C)C[C@@]1(C(=O)NCCc1cnn[nH]1)c1ccccc1 426497509 XCOSRASHBDTGLC-INIZCTEOSA-N 284.363 1.831 0 50 CDAA CC[C@H](C)[C@H](NC(=O)CCn1nccc1C)C(=O)O 426598907 OXUIHPFSYHIDAH-CABZTGNLSA-N 267.329 1.197 0 50 CDAA CCC[C@H](NC(=O)c1cccnc1NC)C(=O)O 426478153 RZKJQWVUWOAEBO-VIFPVBQESA-N 251.286 1.106 0 50 CDAA COC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 97972174 NHXKEXCIHANXFH-UHFFFAOYSA-N 282.771 1.631 0 50 CDAA OCc1cccc(-c2nccc(N3CC[C@@H](O)C3)n2)c1 97463612 PYOHJMZHXMJSJL-CYBMUJFWSA-N 271.320 1.207 0 50 CDAA O=C(NCc1ccoc1)[C@@H]1CCCN(C2CCOCC2)C1 97655453 FYWFMAVFCLTDLE-CQSZACIVSA-N 292.379 1.787 0 50 CDAA CC[C@H](c1nc(-c2cccnn2)no1)N1CCOCC1 95501028 LWUALIGBWRCHFM-LLVKDONJSA-N 275.312 1.310 0 50 CDAA CC1(C(=O)Nc2nnc(-c3ccccn3)[nH]2)CCC1 267527285 OLIQOMJDZGBRPW-UHFFFAOYSA-N 257.297 1.995 0 50 CDAA Cc1ccc([C@H](C(=O)NCc2cc(C)[nH]n2)N(C)C)cc1 95390082 VRNXBFOYAGELQI-OAHLLOKOSA-N 286.379 1.946 0 50 CDAA O=C(c1ncoc1C1CC1)N1CCc2ccnc(O)c2C1 295406999 RGWPSKGIELJZMG-UHFFFAOYSA-N 285.303 1.851 0 50 CDAA CCc1nc(C)c(C(=O)N[C@H]2C=CS(=O)(=O)C2)s1 97773127 RGYWQDJIQZJTRW-QMMMGPOBSA-N 286.378 1.054 0 50 CDAA O=C(O)[C@@H]1CN(c2ncccc2F)C[C@H]1c1cccnc1 91518804 HVDXPIMNNRJXQY-NWDGAFQWSA-N 287.294 1.920 0 50 CDAA CCCCSc1nc(N)cc(N2CC[C@H](CN)C2)n1 95379932 ZTNLADYXNAAHPR-SNVBAGLBSA-N 281.429 1.736 0 50 CDAA CC1(C)CNC(=O)c2nc(CCc3ccccn3)[nH]c2C1 95379580 ZPEOFRNLKJYXAQ-UHFFFAOYSA-N 284.363 1.902 0 50 CDAA Cc1nnc(CCNC(=O)CC[C@@H]2CCCCN2C)s1 95371019 ZQSDZVGSBMOTSY-LBPRGKRZSA-N 296.440 1.770 0 50 CDAA CN(C)[C@@H](C(=O)N[C@H]1CC[C@@H](N)CC1)c1cccc(F)c1 248044769 WCHIWQZNLMFAQJ-QLFBSQMISA-N 293.386 1.815 0 50 CDAA O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)[C@H]3OC[C@@H](O3)[C@H]12 247656309 PQKCJNCEYJTPAS-WCCFOQQASA-N 278.691 1.709 0 50 CDAA c1ccc(COC2CCN(C[C@@H]3COCCO3)CC2)nc1 244723645 MEYQQQPFPQEDIR-MRXNPFEDSA-N 292.379 1.478 0 50 CDAA Cn1ccc(CC(=O)N2CCOc3ccc(F)cc32)n1 181685716 KWSFPUKQOXZPIK-UHFFFAOYSA-N 275.283 1.527 0 50 CDAA CC(C)C(=O)Nc1ccc(NC2=CC(=O)NC2)cc1 524733118 WEFFFQXIUJHJKC-UHFFFAOYSA-N 259.309 1.707 0 50 CDAA CCCCN(Cc1ccccn1)C(=O)NCC(=O)N(C)C 534659329 VBCPBUDOBONAKG-UHFFFAOYSA-N 292.383 1.482 0 50 CDAA OCC1(CNC2CSCCSC2)CCCC1 534637743 ZAFNSGIITSSXIB-UHFFFAOYSA-N 261.456 1.977 0 50 CDAA O=C(NCC[C@@H]1CCCCN1)[C@H]1CC[C@@H](O)CC1 534637779 IVBWGYAYPYGKPP-RWMBFGLXSA-N 254.374 1.186 0 50 CDAA CCc1n[nH]c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)c1C 299786185 UERUSXSPRMOWHK-STQMWFEESA-N 294.399 1.118 0 50 CDAA Cc1n[nH]c(C)c1CCNC(=O)c1cnc(O)c(Cl)c1 828198175 ROPBAADSYDILCF-UHFFFAOYSA-N 294.742 1.753 0 50 CDAA Cc1ccc([C@@H](C)NC(=O)CNC(=O)C(C)C)cn1 584903680 BWDOMTRAUDORBH-LLVKDONJSA-N 263.341 1.339 0 50 CDAA c1ccn2cc(CCN[C@H]3CN4CCC3CC4)nc2c1 584895977 HXRADYOAMWPOHC-HNNXBMFYSA-N 270.380 1.561 0 50 CDAA Cc1cc(C)n(CCCC(=O)N[C@@H](C)c2cnn(C)c2)n1 584889142 XYQOOORGNJCFEY-ZDUSSCGKSA-N 289.383 1.891 0 50 CDAA COc1nc(N(C)C[C@@H]2CCCN2C)ncc1F 670461003 UMTGAPPCJPYSQE-VIFPVBQESA-N 254.309 1.155 0 50 CDAA C[C@@H]1C[C@H](Nc2nccn3cnnc23)CN1C1CC1 271295911 FQCBIAIAPDNYSW-ZJUUUORDSA-N 258.329 1.161 0 50 CDAA Cc1ccc2ncn([C@H]3COC4(CCNCC4)C3)c(=O)c2c1 670451526 OSIDPTDNVOPGPK-CYBMUJFWSA-N 299.374 1.789 0 50 CDAA Cc1nc(C2CC2)ncc1C(=O)NS(=O)(=O)[C@@H]1C[C@H]1C 1875285723 XEBILHQLZZZWPX-RDDDGLTNSA-N 295.364 1.130 0 50 CDAA O=C(NO[C@@H]1CCOC1)[C@@H]1CCOc2ccccc21 1875259455 WZYXAINWHKBKRY-ZYHUDNBSSA-N 263.293 1.389 0 50 CDAA O=C(N[C@H]1C(F)(F)C12CC2)c1cnc(C2CCC2)nc1O 1875311617 HHPBOMGPJUDLQC-GFCCVEGCSA-N 295.289 1.977 0 50 CDAA C=CC(=O)N1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1 1875387157 RJLARAXTAAJZKV-ZDUSSCGKSA-N 294.376 1.018 0 50 CDAA CCSCCN1C(=O)CN(Cc2ccoc2)C1=O 1875308184 TUGGFOZSWDDNQQ-UHFFFAOYSA-N 268.338 1.797 0 50 CDAA CC(C)C1=NO[C@H](C(=O)NCc2ccc3nc[nH]c3c2)C1 952970255 SDRFIHWBXNOADP-AWEZNQCLSA-N 286.335 1.980 0 50 CDAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCC 952868785 ARMYACUQMNCIFD-NSHDSACASA-N 276.402 1.059 0 50 CDAA Cc1cnccc1C(=O)N[C@@H]1C[C@@H](O)C12CCOCC2 886995744 OLQIQZKXUNXDGX-CHWSQXEVSA-N 276.336 1.050 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2c(C)noc2C)C1 888079184 IPNGSDISQKHXEY-DGCLKSJQSA-N 276.340 1.977 0 50 CDAA COC(C)(C)c1nsc(NCc2nc(C)cc(O)n2)n1 894377089 LDKJYBBUEWJHKT-UHFFFAOYSA-N 295.368 1.836 0 50 CDAA C[C@@H](CN)NC(=O)N1CCC(C)(N2CCCCC2)CC1 892093921 RHQHGDNVNZIGMF-ZDUSSCGKSA-N 282.432 1.384 0 50 CDAA O=c1c2c(F)ccc(O)c2cnn1[C@H]1CCCOC1 899354745 JHTMGDZBHNEBFW-QMMMGPOBSA-N 264.256 1.593 0 50 CDAA CCOC(=O)[C@H](C)Sc1ncnc2nc[nH]c12 5074858 QVAYDLOUQXOGFH-LURJTMIESA-N 252.299 1.397 0 50 CDAA CC(C)(C)N1CCC(NC(=O)NCc2cnccn2)CC1 1434770665 MRESOTJLCIVPIJ-UHFFFAOYSA-N 291.399 1.539 0 50 CDAA CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2CO)cc1 170088800 LFPQZOQUQBTAKR-ZWNOBZJWSA-N 283.393 1.643 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@@H](NC2CCNCC2)C1 90635764 XQUKBFCAOSSEKZ-GFCCVEGCSA-N 269.389 1.337 0 50 CDAA in-vitro COC(=O)C[C@H](O)CNC(=O)C[C@H](C)c1ccc(F)cc1 600467317 JORLOFBIYRLFCC-GWCFXTLKSA-N 297.326 1.360 0 50 CDAA O=C(CN1CCc2ccccc2C1)N[C@@H]1C[C@H]2OCC[C@@H]12 1076052308 OOBKMRCNOFXYKU-ARFHVFGLSA-N 286.375 1.338 0 50 CDAA O=C(NC1CCC(Oc2cnccn2)CC1)c1cccnc1 188637557 GUVQLHNEZMOXLR-UHFFFAOYSA-N 298.346 1.992 0 50 CDAA O=C(c1ccc[nH]1)N1CCC[C@H](c2nnc3n2CCC3)C1 408097001 IEEOMHWRNZYROU-NSHDSACASA-N 285.351 1.572 0 50 CDAA CCCN(CCO)CC(=O)N1C[C@H](C)C[C@@H](C)C1 219235003 NNRXNFWKLCTECY-CHWSQXEVSA-N 256.390 1.195 0 50 CDAA CCc1cc(C)nc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 221802949 JGFNZULREWEKLQ-QWHCGFSZSA-N 278.400 1.239 0 50 CDAA COCCCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 223851994 CAWMRPQUEXQOBY-SRVKXCTJSA-N 269.341 1.657 0 50 CDAA CN(Cc1cnc2ccccn12)CC1(O)CCOCC1 189783022 VLONWTYZTFLXMJ-UHFFFAOYSA-N 275.352 1.308 0 50 CDAA CC[C@H](C(=O)O)N1CC[C@H](CNc2cccc(C)n2)C1 191438990 NELRWQPZGWPYAU-CHWSQXEVSA-N 277.368 1.987 0 50 CDAA C[C@@H](NS(=O)(=O)N1CCC[C@H]1C)c1cccc(O)c1 192240753 QQCLXNDBAMKWBI-GHMZBOCLSA-N 284.381 1.772 0 50 CDAA C[C@H](O)Cn1nnnc1Cc1ccc(Br)cc1 193090563 UJTSMJOCCIUQTA-QMMMGPOBSA-N 297.156 1.407 0 50 CDAA Cc1oc(CNC(=O)c2ccc(C)n2C)cc1C(=O)O 193496709 LLUNKEQMNUEPRE-UHFFFAOYSA-N 276.292 1.863 0 50 CDAA C[C@@H]1C[C@H]1N1C[C@@H](N=c2ccnc(C3CC3)[nH]2)CC1=O 572453121 IJYGJBWQONQPFP-ADEWGFFLSA-N 272.352 1.197 0 50 CDAA CC(C)(C)N1CC[C@H]1C(=O)NCCc1ccccn1 585120679 AQXSGZPAMITGQS-ZDUSSCGKSA-N 261.369 1.613 0 50 CDAA CNc1cc(C(=O)NCc2cc(C)nn2C)ccn1 97601096 QUIPNHGJXMYGQM-UHFFFAOYSA-N 259.313 1.095 0 50 CDAA O=C(O)CNc1ccc(Br)cc1C(=O)O 56486 NGTZRRAYYJFRDA-UHFFFAOYSA-N 274.070 1.644 0 50 CDAA in-vitro Cc1noc(C)c1NC(=O)[C@@H]1CCN(C)C(=O)C1 408008827 JCWPUMPGFPWSPE-SECBINFHSA-N 251.286 1.098 0 50 CDAA CCc1nc(N)nc(N[C@H]2CC(=O)N(C(C)C)C2)c1C 1704309629 ZTLRJSQZVJXFRV-JTQLQIEISA-N 277.372 1.351 0 50 CDAA Cc1ncccc1CN1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704328248 LRIUZGAIOVJNST-GDBMZVCRSA-N 284.363 1.215 0 50 CDAA Cc1ncccc1CCNC(=O)[C@@H]1C[C@@H]2C[C@@H](N)[C@@H]2C1 1615002169 OCUYNCFFKMAHAJ-KBUPBQIOSA-N 273.380 1.422 0 50 CDAA C[C@@H](C(=O)O)N(Cc1cccc(F)c1)Cc1cn(C)nn1 1616035871 IDXIFPXSQMOUAM-JTQLQIEISA-N 292.314 1.430 0 50 CDAA Cc1nonc1CN(C)Cc1ncc(Br)cn1 931865812 PKMDMZYECVPRQY-UHFFFAOYSA-N 298.144 1.563 0 50 CDAA CCCS(=O)(=O)N[C@@H]1CCCc2c1c(C)nn2C 1857676122 JXOFZCYFUHHGAD-SNVBAGLBSA-N 271.386 1.435 0 50 CDAA N[C@@H](CC1CCCCC1)C(=O)N(CCO)Cc1ncc[nH]1 1772702223 AMANCWRIAVWIIZ-ZDUSSCGKSA-N 294.399 1.028 0 50 CDAA C=CC(=O)N1CCC([C@H]2CCC[C@@H]2C(=O)O)CC1 1857787011 XITJLORVYDZMSS-NEPJUHHUSA-N 251.326 1.912 0 50 CDAA O=C(O[C@H]1CCS(=O)(=O)C1)c1ccccc1F 5344653 QBJXDICCBNOSHW-QMMMGPOBSA-N 258.270 1.170 0 50 CDAA CCS(=O)(=O)N[C@H]1CC(=O)N(CC2CCCCC2)C1 11841505 CVLDVDSVTFGYPW-LBPRGKRZSA-N 288.413 1.107 0 50 CDAA NC(=O)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccsc2)CC1 1857531881 HEKQDDFHFNZHFP-NEPJUHHUSA-N 293.392 1.465 0 50 CDAA Cc1ccc(C2(O)CCN(c3n[nH]c(=N)s3)CC2)nc1 1857671383 VXHPVBBHXYZGRB-UHFFFAOYSA-N 291.380 1.142 0 50 CDAA Cc1noc([C@H]2CCCN2C(=O)CNc2cccnc2)n1 1857686053 GDRIVFQZOSYTHA-GFCCVEGCSA-N 287.323 1.549 0 50 CDAA Cc1ccc2oc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N4)c(C)c2c1 1857710924 AYFVZDUPFYGDFM-JQWIXIFHSA-N 284.315 1.763 0 50 CDAA N=c1[nH]nc(-c2ccc(-c3cccc(CC(=O)O)c3)o2)[nH]1 1875244455 LFOZOPJVTHJXNL-UHFFFAOYSA-N 284.275 1.771 0 50 CDAA O=S(=O)(c1ncc[nH]1)N1CCC[C@@H]1CN1CCCCC1 631895893 ZREXHSSSZDYFDR-GFCCVEGCSA-N 298.412 1.049 0 50 CDAA CO[C@@]1(CO)CCCN(Cc2cccc3c2CCOC3)C1 639798496 GMXYQYYTIDTPSO-KRWDZBQOSA-N 291.391 1.733 0 50 CDAA O=C(N=c1ccc(C2CC2)n[nH]1)N[C@H]1CCc2c[nH]nc2C1 333254076 ZABHXVRXCGBORJ-NSHDSACASA-N 298.350 1.178 0 50 CDAA COc1cc(OC)cc([C@@H]2NCCc3nc[nH]c32)c1 12243710 GKPQGYHEHZJQHQ-ZDUSSCGKSA-N 259.309 1.662 0 50 CDAA biogenic,in-vitro O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCn1ccnc1 250256098 SUFZNMCYTOMLEB-XQQFMLRXSA-N 291.351 1.518 0 50 CDAA O=C(NCc1nc(O)n[nH]1)c1csc2ccccc12 359276031 PYCMDUIHKJVXIK-UHFFFAOYSA-N 274.305 1.655 0 50 CDAA Cc1nc(C2CCN(CC[C@@H]3COCCO3)CC2)no1 1775980801 AZJZBRGVDBNDLV-CYBMUJFWSA-N 281.356 1.363 0 50 CDAA CCS(=O)(=O)CC(=O)c1ccc(N2CCOC2=O)cc1 917970711 DSWXQPNYQCFHLT-UHFFFAOYSA-N 297.332 1.261 0 50 CDAA O=C(NOC[C@H]1CCOC1)[C@H]1CCc2cccnc21 819935027 PGMPRAAQWOKYKQ-JQWIXIFHSA-N 262.309 1.196 0 50 CDAA O=C(NOc1ccccc1)[C@@H]1CCc2ncncc2C1 854536075 OKEHNVABVRLILJ-LLVKDONJSA-N 269.304 1.692 0 50 CDAA CN(Cc1n[nH]c2c1COCC2)[C@H]1CCSC1 930093855 NRERYHDNKMLWGS-VIFPVBQESA-N 253.371 1.420 0 50 CDAA O=C(c1nccc2occc12)N1CCN2C(=O)CC[C@@H]2C1 831503241 CVXHFKDGIRGLJM-SNVBAGLBSA-N 285.303 1.275 0 50 CDAA C[C@H]1CN(CC(=O)Nc2ccccn2)Cc2c[nH]nc21 931468236 WNDJGVWBMRYYLY-JTQLQIEISA-N 271.324 1.363 0 50 CDAA CNC(=O)c1ccsc1NC(=O)CCOCC(F)F 1289083913 LHLOKUGTNKYTDM-UHFFFAOYSA-N 292.307 1.718 0 50 CDAA O=C(NCc1ccncn1)c1ccc2cc[nH]c2c1 220498458 RZYCXVGDWGVEFM-UHFFFAOYSA-N 252.277 1.888 0 50 CDAA Cc1n[nH]c(C)c1CCCNC(=O)c1c(C)noc1C 222979025 BSFHWYXZYZHVEW-UHFFFAOYSA-N 276.340 1.994 0 50 CDAA COCC[C@@H](CO)NC(=O)c1ccc(OC(F)F)cc1 225564515 DCLWERFMVFCQHM-JTQLQIEISA-N 289.278 1.415 0 50 CDAA NS(=O)(=O)c1ccc(CCN[C@@H]2CCC23CCC3)cc1 225732224 UEYAUCRAGYICLM-CQSZACIVSA-N 294.420 1.799 0 50 CDAA COc1cccc(C(=O)N2CCCC[C@@H]2C(=O)O)c1F 237356976 WALKCAGMVVGWED-SNVBAGLBSA-N 281.283 1.914 0 50 CDAA NCC1(C(=O)N[C@@H]2COc3ccccc3C2)CCCC1 238060958 WLCGYPBCLWGGLA-ZDUSSCGKSA-N 274.364 1.625 0 50 CDAA O=C(N[C@H]1CCCNC1=O)c1cc2ccccc2[nH]1 50392794 XCUHRAQRZGJNKK-NSHDSACASA-N 257.293 1.176 0 50 CDAA C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(N)=O 53393682 GWNBXUOMJWQXJM-RXOVYUGGSA-N 264.369 1.583 0 50 CDAA C[C@H]1COCC[C@H]1NCc1ccc(S(C)(=O)=O)cc1 191752827 MDAWBTPEJDIOLW-SMDDNHRTSA-N 283.393 1.605 0 50 CDAA N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](CN2CCCC2)C1 328596055 PRLPGJVGDMFGTF-HZSPNIEDSA-N 265.401 1.058 0 50 CDAA CN(C[C@H](O)CN1CC(O)=N[C@H]2CCCC[C@H]21)C1CC1 328683368 WFEJAVKGZRAWCG-MELADBBJSA-N 281.400 1.025 0 50 CDAA CN(C(=O)CCc1cn[nH]c1)C1Cc2ccccc2C1 629951602 JAHFGIUQCJFIDI-UHFFFAOYSA-N 269.348 1.968 0 50 CDAA CN1CCC2(CC1)CCN(C[C@H]1CCCCO1)C2 639757354 GUXNZELQYHQUIC-CQSZACIVSA-N 252.402 1.973 0 50 CDAA C[C@@H]1NCCN(C(=O)c2ccc(C(=O)O)cc2)[C@H]1C 583267426 VVCSJTIABBWWPE-UWVGGRQHSA-N 262.309 1.207 0 50 CDAA Cc1cc(C)c(CNC(=O)c2cccc(O)n2)cn1 397092686 KYYCNFUUJMDGKA-UHFFFAOYSA-N 257.293 1.729 0 50 CDAA CCN(Cc1ccncc1)C(=O)N[C@@H](CSC)C(=O)O 824913647 RZBCWCJPASZNGU-NSHDSACASA-N 297.380 1.429 0 50 CDAA C[C@@H]1CN(C[C@@](C)(O)C(=O)O)CCN1c1ccccc1 903957925 RRBVLIORAZOJKI-IUODEOHRSA-N 278.352 1.033 0 50 CDAA COc1ccc(F)cc1S(=O)(=O)NCc1ccncc1 6140609 IMBZZCBHNIRFQY-UHFFFAOYSA-N 296.323 1.708 0 50 CDAA Cc1cccc2nc(NC(=O)CN3CCN(C)C3=O)[nH]c12 2100541012 TUKURXRSNSIXHV-UHFFFAOYSA-N 287.323 1.177 0 50 CDAA COc1c(CNC(CO)CO)ccc2ccccc12 2325750486 GUJGEFVFTMYPDU-UHFFFAOYSA-N 261.321 1.291 0 50 CDAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2)C(=O)C1CCCC1 2325811217 CXLUPHUDXOAUKQ-LPTSXCQYSA-N 265.353 1.269 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H]1CSc2ccccc21 900746762 DMUGIGLJCATGTN-LBPRGKRZSA-N 290.388 1.984 0 50 CDAA COC(=O)[C@H]1CCC2(CCC3(CC2)OCCO3)O1 953033810 NQDGKQXXCYVOLN-SNVBAGLBSA-N 256.298 1.394 0 50 CDAA Cn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1 27497 PGUUWGJUCVQTIP-UHFFFAOYSA-N 293.330 1.981 0 50 CDAA COc1ccc(OC(=O)N(C)C)c(CN(C)C)c1 317594 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HGMKKGIHIMIKCB-NSHDSACASA-N 278.356 1.556 0 50 CDAA Cc1ccc2[nH]nc(CN(C)C[C@@H]3COCCO3)c2c1 23340222 VQLMLFMXVJGQLQ-GFCCVEGCSA-N 275.352 1.719 0 50 CDAA CSCC[C@@H](CO)NC(=O)CCc1c(C)noc1C 119311510 CRRDKWLRMKWPCI-NSHDSACASA-N 286.397 1.454 0 50 CDAA Cc1cc(C(=O)N2CCC[C@@H]2C(=O)O)c(F)cc1F 135208737 LKXVQFLXWKELCV-LLVKDONJSA-N 269.247 1.962 0 50 CDAA O=C1CCCN1CCc1noc(-c2ccc3[nH]cnc3c2)n1 20109974 YKDQPXRCIBLRJX-UHFFFAOYSA-N 297.318 1.778 0 50 CDAA Cc1cnn([C@H](C)[C@H](C)N[C@@H]2C[C@@H](C)OC2=O)c1 229570018 HPMNODGYQYOTHD-WRWGMCAJSA-N 251.330 1.435 0 50 CDAA CC(C)(C)OC(=O)NC1(C(=O)N2CCOCC2)CCCC1 170709177 OSQBETSHVLRBRN-UHFFFAOYSA-N 298.383 1.683 0 50 CDAA CO[C@@H]1CN(C(=O)CSCC(C)=O)CC[C@@H]1C 427480838 RESGVSHSAFJFRQ-GXSJLCMTSA-N 259.371 1.192 0 50 CDAA NS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)[n+]([O-])c2c1 170626180 KBCRTLBWTHEYFJ-UHFFFAOYSA-N 289.316 1.116 0 50 CDAA Cc1nnc(C(=O)N2CCC(c3cnc[nH]3)CC2)s1 329778019 KWILUXBHTPGJKL-UHFFFAOYSA-N 277.353 1.589 0 50 CDAA CCO[C@@H](CC)CNC(=O)c1c(O)cccc1O 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COc1cc(OC)nc(N2CC(c3cccnc3)C2)n1 72167125 UZWIWYOLRPKITB-UHFFFAOYSA-N 272.308 1.493 0 50 CDAA COc1cncc(C(=O)Nc2ccc3c(=O)cc[nH]c3c2)n1 357131168 YHAPSKOSDYZJMU-UHFFFAOYSA-N 296.286 1.579 0 50 CDAA CC(C)[C@H](O)C(=O)N1CCC(CN2CCCCC2=O)CC1 366008741 OGVPXQWQTMKWAB-HNNXBMFYSA-N 296.411 1.254 0 50 CDAA C[C@H](N)[C@@H]1CCCN(C(=O)c2cc(-n3cccn3)ccn2)C1 156180413 WYXNZGGRQJMARC-QWHCGFSZSA-N 299.378 1.467 0 50 CDAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1ccc(O)cc1 218843350 HVEYGSLLBDUVSL-XNISGKROSA-N 291.347 1.101 0 50 CDAA CCn1cnnc1[C@@H]1CN(C(=O)/C=C/C2CC2)CCO1 368804960 HBXDQWMQCZGSOS-FYJFLYSWSA-N 276.340 1.164 0 50 CDAA CC1(C)C[C@H](Nc2ncnc3c2NC(=O)CS3)CCO1 370552538 VDAAHTAELPFXSJ-MRVPVSSYSA-N 294.380 1.890 0 50 CDAA O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC[C@@H](Cn2ccnn2)C1 246411393 ZVEQUZLYVSHBSW-MGPQQGTHSA-N 288.395 1.953 0 50 CDAA c1nc(N2CC[C@@H]([C@@H]3CCOC3)C2)c2cc[nH]c2n1 372722895 BOJLTQKOYXWKBZ-GHMZBOCLSA-N 258.325 1.821 0 50 CDAA CN(C)Cc1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cn1 376154234 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MAGNTJMEGNZDSN-QWHCGFSZSA-N 291.347 1.942 0 50 CDAA CSc1nc(C(=O)N(C)CCn2ccnc2)cs1 222379952 BCJXNVDMFJJHHT-UHFFFAOYSA-N 282.394 1.834 0 50 CDAA CN(CCc1ncon1)C(=O)[C@@H]1Cc2ccccc2S1 426422059 WVOQSBKEYPMYJI-LBPRGKRZSA-N 289.360 1.788 0 50 CDAA CN(C(=O)[C@H]1CC[C@@H](C(=O)O)C1)C1CCOCC1 234243814 RJSYCGKAOWGXEA-VHSXEESVSA-N 255.314 1.125 0 50 CDAA Cc1ccc2ncccc2c1CN1CCOC[C@H]1CO 97307799 JWHRRFLSKVGOAW-CYBMUJFWSA-N 272.348 1.736 0 50 CDAA CC(C)c1nccc(C(=O)NCCSc2nc[nH]n2)n1 426573298 PNASQJJSLICJBJ-UHFFFAOYSA-N 292.368 1.240 0 50 CDAA COc1ccc(-c2ccc(-n3ccnc3)nn2)c(OC)n1 426496990 OIUINRSSPBZZDM-UHFFFAOYSA-N 283.291 1.742 0 50 CDAA Cc1ncc(C(=O)N2CCN[C@H](c3ccccc3)C2)cn1 96149386 ISBRPIJWMDOVPB-HNNXBMFYSA-N 282.347 1.572 0 50 CDAA CS(=O)(=O)CCC(=O)N1CCC[C@@H]1c1cccnc1 330450709 JMXQVOTUDNHCGP-GFCCVEGCSA-N 282.365 1.180 0 50 CDAA CN(C)C(=O)c1cccc(-c2ccc(=O)n(C)n2)c1 96180023 IHQLRHQNIUHNNG-UHFFFAOYSA-N 257.293 1.149 0 50 CDAA CC(=O)NC[C@H]1CN(Cc2cc(F)ccc2C)CCO1 180164418 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267.281 1.329 0 50 CDAA CCN(CC)CC1(NC(=O)c2cncn2C)CC1 534663362 KQOKPBFWRJMYJJ-UHFFFAOYSA-N 250.346 1.024 0 50 CDAA CN[C@@H]1CNC(=O)c2cc(-c3ccc(C)cc3)nn21 263618882 VYINAJWSOUZTBX-ZDUSSCGKSA-N 256.309 1.320 0 50 CDAA CCOC(=O)[C@@]1(C(=O)O)Cc2ccc(F)cc2C1 261508932 YKOMTFMXHAWMMI-ZDUSSCGKSA-N 252.241 1.558 0 50 CDAA O=C(Cc1cccs1)N[C@H]1COC[C@@H]1N1CCCCC1 534662592 JJXFOLAJVBGVLZ-KBPBESRZSA-N 294.420 1.660 0 50 CDAA CCCSCC(=O)NCc1nc(-c2ccccn2)no1 299786868 OCKSQHLLDGAPJK-UHFFFAOYSA-N 292.364 1.891 0 50 CDAA CN1CCC2(CC1)CN(C(=O)c1ccncc1)CCO2 649136806 ZAOQFRYYRCNXEB-UHFFFAOYSA-N 275.352 1.018 0 50 CDAA O=C(N1CCC[C@H](C2CCNCC2)C1)C(F)(F)F 390822120 GUNMZMXOTPEPKA-JTQLQIEISA-N 264.291 1.787 0 50 CDAA CCC[C@@H](NC(C)=O)C(=O)NCc1cncn1C1CC1 584898622 MMDNCETUILPZHQ-CYBMUJFWSA-N 278.356 1.139 0 50 CDAA CCOCC(=O)NCC1(N2CCCCC2)CCCC1 584888243 XRQASECNELCASW-UHFFFAOYSA-N 268.401 1.938 0 50 CDAA CSCCN1CCN(C(=O)CN2CCCCCC2)CC1 670441819 IBLPUINYRKJADS-UHFFFAOYSA-N 299.484 1.370 0 50 CDAA Cc1cccc(OC2CN(CCn3cnnc3C)C2)c1 670470303 OZLUPXLVPUSHTN-UHFFFAOYSA-N 272.352 1.658 0 50 CDAA CCC1CCN(CCNC(=O)C[C@H]2CCOC2)CC1 670470907 JYPHSBVAYUIXEG-CQSZACIVSA-N 268.401 1.651 0 50 CDAA Cc1cnc([C@H](C)NC(=O)[C@H]2CCCC(=O)N2)s1 270379982 PIWFBVUFNGMVLN-DTWKUNHWSA-N 267.354 1.297 0 50 CDAA NC[C@@H]1CCN[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 757216238 ZISZUACPNHCOLW-RCWTZXSCSA-N 265.323 1.244 0 50 CDAA CCN(C)C(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)F 1548623537 DJNKLZHEXNIBLZ-CBAPKCEASA-N 272.299 1.985 0 50 CDAA COc1ccccc1CN(OC)C(=O)c1cc(O)nn1C 1875294755 VYEVGYIVVURFOE-UHFFFAOYSA-N 291.307 1.338 0 50 CDAA c1ncc2c(n1)CCN(C1=NC[C@@H](C3CCCC3)N1)C2 1875280660 JIZCCMJPZRXJLU-AWEZNQCLSA-N 271.368 1.353 0 50 CDAA C=CC(=O)NCCc1ccc(N2CCN(C)CC2)cc1 1875367979 FHOGIOPSSJYKJF-UHFFFAOYSA-N 273.380 1.283 0 50 CDAA CCc1ccc(O)c(C(=O)NCCc2cnco2)c1 1875326912 KUXZVMBLBDKWFI-UHFFFAOYSA-N 260.293 1.915 0 50 CDAA c1cc2c[nH]nc2cc1-c1cn(CC23CCN(CC2)C3)nn1 1875324544 CKPMUPCBBVTPPO-UHFFFAOYSA-N 294.362 1.917 0 50 CDAA Cc1nc(C)c(C(=O)N2CCCN(CC(C)C)CC2)[nH]1 952972761 LXLTWFGKHHVQMS-UHFFFAOYSA-N 278.400 1.830 0 50 CDAA Cc1cc(CS(=O)(=O)c2cccnc2)c(C)nn1 1166854154 YVOGELLXLCVRGI-UHFFFAOYSA-N 263.322 1.462 0 50 CDAA CC(=O)NCCC(=O)Nc1ccc2nc([C@H](C)O)[nH]c2c1 952966516 KBPLPUDUVYMBFW-QMMMGPOBSA-N 290.323 1.081 0 50 CDAA CC1(C)CC(O)([C@H](N)c2ccns2)CC(C)(C)N1 958528907 YHXINRJJDLNUTJ-SNVBAGLBSA-N 269.414 1.815 0 50 CDAA O=C1CN([C@@H]2CCOC2)CCN1Cc1ccccc1F 952868196 DLWXASSVNXSFOF-CYBMUJFWSA-N 278.327 1.259 0 50 CDAA O=C(NC1(c2ncccn2)CCOCC1)c1ccsc1 886936244 PYCHJDONYVBMOM-UHFFFAOYSA-N 289.360 1.974 0 50 CDAA NC1(c2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)CC1 900017566 MBMNQRCFGNFDNL-OUAUKWLOSA-N 262.357 1.858 0 50 CDAA CCC1(CNC(=O)c2cccnc2OCCO)CCC1 1362061745 XAXPOVOHCUPNDI-UHFFFAOYSA-N 278.352 1.763 0 50 CDAA COc1ncc(Cl)c(N(C)[C@H](CO)CC(C)C)n1 274645638 BQXANIRKIWTSCK-VIFPVBQESA-N 273.764 1.982 0 50 CDAA O=C(COc1cccnc1)NC[C@@H]1CCc2nccn2C1 275399640 RZUUDXJQYYQERJ-LBPRGKRZSA-N 286.335 1.036 0 50 CDAA COc1ccc(CCC(=O)N2CCN[C@@H](C)C2)cc1F 275784932 QNUNRFVBQSGMOC-NSHDSACASA-N 280.343 1.587 0 50 CDAA CC(C)(C)OC(=O)N1CCn2c(C(=O)O)cnc2C1 91303726 QYFDJATXKTZVOY-UHFFFAOYSA-N 267.285 1.332 0 50 CDAA in-vitro NS(=O)(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 278772678 WFGPPNGMSSQVCV-UHFFFAOYSA-N 285.756 1.314 0 50 CDAA CN(c1cnccn1)S(=O)(=O)c1cccc(F)c1 170619597 BPNFWQCZFGCEER-UHFFFAOYSA-N 267.285 1.441 0 50 CDAA C[C@@H](CN(C)CCCOc1ccccc1)S(C)(=O)=O 408519499 HDLKPJLYHKISCM-ZDUSSCGKSA-N 285.409 1.820 0 50 CDAA CN(Cc1cnn(C)c1)C(=O)C[C@@H]1CCCC[C@H]1O 280825226 SDNWXTYDZWXOIC-QWHCGFSZSA-N 265.357 1.320 0 50 CDAA C[C@@]12CNC[C@]1(C)CN(C(=O)c1ccc3nn[nH]c3c1)C2 634743773 DHRLZYHMUSGGMM-GASCZTMLSA-N 285.351 1.030 0 50 CDAA Cc1[nH]ncc1-c1nnc(NC(=O)c2cc[nH]n2)s1 225447889 JTKXFBNXUGWASU-UHFFFAOYSA-N 275.297 1.212 0 50 CDAA c1ccc(NC[C@H]2CCN(c3ncnc4nc[nH]c34)C2)nc1 225540371 LWEYYKOBMKYAHZ-LLVKDONJSA-N 295.350 1.686 0 50 CDAA CCC[C@H](C(=O)NCC(=O)OCC)c1ccccn1 225801298 UKRVGGRLTHOVSR-NSHDSACASA-N 264.325 1.645 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1ccc(F)cc1F 643847798 PATYWMYRXYQZGS-CQSZACIVSA-N 299.273 1.671 0 50 CDAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cccc(OC)c1 643847888 RCWQEOJMHQCUGD-OAHLLOKOSA-N 293.319 1.401 0 50 CDAA CCn1c(C)nnc1CN1C[C@H](OC)C[C@H]1c1ncc[nH]1 643857091 PYVVFYXEPRXNDN-NEPJUHHUSA-N 290.371 1.292 0 50 CDAA O=C(NCc1cccc(OCC(F)F)n1)[C@@H]1CCCN1 195555032 KLRGJYSEGMSIFW-JTQLQIEISA-N 285.294 1.094 0 50 CDAA CN(Cc1cccc(O)c1)C(=O)[C@H]1CCc2cncn2C1 572124344 RSZFXQOTSCCWRR-ZDUSSCGKSA-N 285.347 1.810 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C=O)C1 675050211 KYLXASBAYRZTNJ-SNVBAGLBSA-N 280.328 1.663 0 50 CDAA C[C@H]1C[C@@H](C)CN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)[C@H]1C 408451799 MQWCCZLZFIFTRP-RHYQMDGZSA-N 290.429 1.159 0 50 CDAA Oc1nc(Cl)cc(=N[C@H]2C[C@@H](c3ncc[nH]3)C2)[nH]1 1875294659 LTVHKNCJPHKYOG-KNVOCYPGSA-N 265.704 1.339 0 50 CDAA COCc1ccnc(NC(=O)NC2CC(F)(F)C2)n1 1875296834 RBNNAEZXSKITLQ-UHFFFAOYSA-N 272.255 1.542 0 50 CDAA CC(C)(C)c1nnc(NC(=O)[C@@H](N)Cc2ccco2)s1 1875307957 XNSFUHRGSLVDLC-VIFPVBQESA-N 294.380 1.937 0 50 CDAA CS(=O)(=O)c1cc(Br)ccc1F 16158653 VXQZZSWCUVJUEG-UHFFFAOYSA-N 253.092 1.992 0 50 CDAA in-vitro O=C(Nc1ccc(F)c(C(=O)O)c1)c1ccnnc1 135790017 AIKYDQPECPFBGF-UHFFFAOYSA-N 261.212 1.566 0 50 CDAA CC1(C)C(C(=O)N(CCO)Cc2ncc[nH]2)C1(C)C 1704309001 UVGCSUUDJJFWHU-UHFFFAOYSA-N 265.357 1.413 0 50 CDAA CC(C)n1ccc(CNC(=O)CC2(CN)CC2)n1 567811124 SYKMPZOFCUDAMH-UHFFFAOYSA-N 250.346 1.209 0 50 CDAA OCCn1cc(-c2nc(-c3ccc4c(c3)CCO4)no2)cn1 1615589534 YPSVCDDYVHLWQP-UHFFFAOYSA-N 298.302 1.527 0 50 CDAA CCc1ccc(-c2noc(C[C@H]3CC(=O)NC3=O)n2)cc1 1616037744 BKWOXSVIDSLWRI-LLVKDONJSA-N 285.303 1.504 0 50 CDAA COCc1ccc(C(=O)N(C)CC2(O)CCOCC2)cc1 162068706 QHKYZUUFDYRMNB-UHFFFAOYSA-N 293.363 1.447 0 50 CDAA Cc1nonc1C(=O)N1CCC[C@]2(CCc3c[nH]nc32)C1 1775982866 UCTOSTPZXUDIDL-AWEZNQCLSA-N 287.323 1.221 0 50 CDAA COCC1(CNc2nnc(CN(C)C)o2)CCCC1 1772711391 XQOSXPGVDUJCHF-UHFFFAOYSA-N 268.361 1.750 0 50 CDAA Cn1cnc2ncnc(SCCCCC(=O)O)c21 5713020 XLGXYRBEMDFOKB-UHFFFAOYSA-N 266.326 1.710 0 50 CDAA CC[C@@H](C(=O)N(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13712971 ADYZBWGYFXTPCQ-ZDUSSCGKSA-N 298.408 1.628 0 50 CDAA CCN1CCC(NC(=O)c2cccc(OC)c2OC)CC1 16603813 BVVVRTIZOHCKJM-UHFFFAOYSA-N 292.379 1.918 0 50 CDAA CN1CCN(CCOc2cccc(Cl)c2)CC1 19590048 WJXJUTQPXNUQEP-UHFFFAOYSA-N 254.761 1.966 0 50 CDAA Fc1ccc(CNCCN2CCOCC2)c(F)c1 19953856 CPUUXKRZCKRQMZ-UHFFFAOYSA-N 256.296 1.387 0 50 CDAA COC(=O)c1n[nH]c2cncc(Br)c12 206025588 HUIFPZAYDBOEJW-UHFFFAOYSA-N 256.059 1.507 0 50 CDAA O=C(N[C@H]1C[C@H](Cn2cc(Cl)cn2)C[C@@H]1O)N1CCC1 1857531201 KUJKKCYLGZHIAH-DLOVCJGASA-N 298.774 1.091 0 50 CDAA COc1ccc(CN2CCO[C@H]3C[C@H](CO)C[C@@H]32)c(F)c1 1857699170 QFDSNPVXDYGODT-RLCCDNCMSA-N 295.354 1.806 0 50 CDAA Cc1cccn2ncc(C(=O)NCc3cnn(C)c3)c12 1857706584 MCSZIGBUPDBALE-UHFFFAOYSA-N 269.308 1.306 0 50 CDAA Cc1c(C(=O)NCCCc2cnn(C)c2)nc2ccccn12 1857728804 DZOYOPGZAGNCGC-UHFFFAOYSA-N 297.362 1.739 0 50 CDAA Cc1ncn(C)c1-c1nc(CC(C)C)nn1-c1cnn(C)c1 1857736831 YKHUDURQCFCZES-UHFFFAOYSA-N 299.382 1.908 0 50 CDAA Cc1cccc(CNC(=O)CN2CCC[C@H]2c2nc[nH]n2)c1 408523656 MFYSWKWUYNKESX-AWEZNQCLSA-N 299.378 1.566 0 50 CDAA CCc1sc(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)cc1C 225555221 VXALGDIDNNNCLD-SSDOTTSWSA-N 280.353 1.521 0 50 CDAA CC(C)[C@H](NC(=O)OCc1ccccc1)C(N)=O 2556717 LWAHIZLDUQONHV-NSHDSACASA-N 250.298 1.423 0 50 CDAA in-vitro C[C@@](O)(CC(=O)N1CCC[C@H]1c1ccc(O)nn1)C1CC1 530080319 QOTOZMIXHIZXMW-SWLSCSKDSA-N 291.351 1.397 0 50 CDAA O=C(Cc1ccc(O)c(Cl)c1)N1CCN2CC[C@H]1C2 633251193 RHWRQPXQBISPSL-NSHDSACASA-N 280.755 1.505 0 50 CDAA C[C@@H](Oc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 123150730 HRPDKQCSLCXIJG-LYRGGWFBSA-N 298.342 1.623 0 50 CDAA O=C(NC[C@H]1CN(C2CC2)CCO1)c1ocnc1C1CC1 368050285 FFAGGDZVHNQBKI-LBPRGKRZSA-N 291.351 1.145 0 50 CDAA CCN1CCN(C(=O)C[C@H](O)C(C)C)C[C@@H]1c1ncc[nH]1 583623240 ZPAFACJXFFBVCX-OLZOCXBDSA-N 294.399 1.022 0 50 CDAA COc1ccc(-c2nnc(N3CC(C)(OC)C3)o2)cc1 585092565 FAVDYMUHQUXRCE-UHFFFAOYSA-N 275.308 1.970 0 50 CDAA C=CC(=O)N(CCNC(=O)OC(C)(C)C)C(C)C 1875281422 ACXKWAGODBUCOF-UHFFFAOYSA-N 256.346 1.934 0 50 CDAA C[C@H]1OCCC[C@@H]1C(=O)N1CC(O)(c2ccc(F)cc2)C1 802621597 GEFKJHUMQQFQNO-RISCZKNCSA-N 293.338 1.671 0 50 CDAA CCC(CC)(CO)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)O)C[C@@H]21 907956629 HIIRDTYRHYDTEO-WHOHXGKFSA-N 283.368 1.401 0 50 CDAA C=C=CCNC(=O)NC1CC(C)(C)NC(C)(C)C1 1119554543 CQRNNEMYERQEAV-UHFFFAOYSA-N 251.374 1.936 0 50 CDAA CC(C)(C)OC(=O)N[C@@H]1CCc2c(C(=O)O)n[nH]c2C1 1857783538 XDDAUCUGJXSFEP-SSDOTTSWSA-N 281.312 1.490 0 50 CDAA CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(OC)C(=O)O 1857781986 CBNTVKSVGSJTFW-RNCFNFMXSA-N 289.328 1.112 0 50 CDAA CC(C)C[C@H](N)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 236647890 SKTDUHDYOZTILC-AVGNSLFASA-N 255.406 1.301 0 50 CDAA CCOCCN1CCN(Cc2cnc(C)cn2)C[C@H]1C 241124222 JGMBTDCJVVTECV-CQSZACIVSA-N 278.400 1.328 0 50 CDAA Cc1ccc(Cl)c(O[C@@H]2CCN(CC(=O)O)C2=O)c1 663218509 FYRLAYYODAZADM-SNVBAGLBSA-N 283.711 1.713 0 50 CDAA Cc1nc([C@H]2CN(Cc3c(Cl)cnn3C)CCO2)n[nH]1 328600545 YMEYOXPPGIAYGN-LLVKDONJSA-N 296.762 1.074 0 50 CDAA COc1cc(NCCCn2cc(Cl)cn2)[nH]c(=N)n1 382333887 VQHSFSIFNUYOPV-UHFFFAOYSA-N 282.735 1.250 0 50 CDAA Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC(C)C 1423901 FUXPAGJBQFNWDK-UHFFFAOYSA-N 296.392 1.809 0 50 CDAA c1cnc2c(c1)COC[C@@H]2N=c1nc(C2CCC2)[nH]o1 2325809831 RLFWIMSELFBOGH-NSHDSACASA-N 272.308 1.837 0 50 CDAA CN=c1[nH]cncc1NC(=O)[C@H]1Cc2ccc(Cl)cc21 2325849973 HSNNLSHGZLWLMY-NSHDSACASA-N 288.738 1.872 0 50 CDAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCOC[C@H]1C(=O)O 907578543 IUMBVJBNAGSHRC-NSHDSACASA-N 295.335 1.811 0 50 CDAA CC(C)(CNC(=O)[C@@H]1CO[C@H](CN)C1)c1ccc(F)cc1 2332237717 IWTCNNYDHKZSGF-FZMZJTMJSA-N 294.370 1.583 0 50 CDAA NS(=O)(=O)c1nn2cc(-c3ccccc3)nc2s1 75086 MQUYTXDAVCOCMX-UHFFFAOYSA-N 280.334 1.105 0 50 CDAA in-vitro CC(C)Nc1nc(NC(C)C)nc(SCC(N)=O)n1 376902 QCBQQGJBOVXOOK-UHFFFAOYSA-N 284.389 1.090 0 50 CDAA COCCCNc1nc(NC(C)C)nc(SC)n1 2040313 DDUIUBPJPOKOMV-UHFFFAOYSA-N 271.390 1.862 0 50 CDAA in-vitro Cc1ncoc1C(=O)N1CCC2(CC1)C[C@](C)(O)CCO2 2356142464 STYGIMKHQXCCFK-CQSZACIVSA-N 294.351 1.519 0 50 CDAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)c1n[nH]c2c1CCC2 2356165522 CNNHTSRKLFVENU-DTORHVGOSA-N 277.324 1.272 0 50 CDAA Cc1cccc(NC(=O)C(=O)NCc2cccnc2)c1C 2995665 ABSYSUCATZZBEF-UHFFFAOYSA-N 283.331 1.953 0 50 CDAA CCc1nc(CN2CCC(CN(C)C)(OC)CC2)no1 2356167599 URXPBPSRXMSFGC-UHFFFAOYSA-N 282.388 1.175 0 50 CDAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1N 3885494 CDLUSPMUARXZBB-UHFFFAOYSA-N 270.354 1.452 0 50 CDAA CCOc1ccc(C[C@H]2SC(=N)NC2=O)cc1 4075850 BXAFQNAEYXEBHY-SNVBAGLBSA-N 250.323 1.794 0 50 CDAA C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H]([C@@H](C)N)C1 247114930 LYTVFLHLPODGPA-AGIUHOORSA-N 277.368 1.435 0 50 CDAA O=C(NCCNC(=O)c1ccccn1)c1ccc(F)cc1 4487343 VLEVOIWAAKVMCJ-UHFFFAOYSA-N 287.294 1.381 0 50 CDAA C1CN=C(SCCCSC2=NCCCN2)NC1 4599945 WBNDSZVXLYJJMO-UHFFFAOYSA-N 272.443 1.542 0 50 CDAA O=C(CCCC(=O)Nc1nncs1)Nc1nncs1 4902673 ASGOPSLNDSUCQK-UHFFFAOYSA-N 298.353 1.137 0 50 CDAA Nc1c(C(=O)N2CCOCC2)sc2ncccc12 10010517 TXOWCRAGUXJVBF-UHFFFAOYSA-N 263.322 1.351 0 50 CDAA N=c1c2c3c(sc2ncn1CCCO)CCCC3 100610979 OWQXNRXDBMYHCZ-UHFFFAOYSA-N 263.366 1.838 0 50 CDAA CCNC(=O)C(C)(C)CNC(=O)Nc1ccc(F)cn1 123437909 QNVHUOAVCOGIBA-UHFFFAOYSA-N 282.319 1.505 0 50 CDAA C[C@@H]1CCCN(C(=O)CCNCCSc2cnn[nH]2)C1 65452847 UOQRBCBZNVJGKJ-LLVKDONJSA-N 297.428 1.135 0 50 CDAA CC(=O)c1c(C)nn(CC(=O)N[C@H]2CCSC2)c1C 20916700 DWOCDIPUDCWIJE-NSHDSACASA-N 281.381 1.324 0 50 CDAA CCC(=O)NCCC(=O)Nc1cc(F)ccc1F 65363030 XWNMBIRCQOFVML-UHFFFAOYSA-N 256.252 1.820 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(Cc2cccc(-n3cccn3)c2)C1 65372753 IGDIFWMHSVVNOX-GFCCVEGCSA-N 285.303 1.305 0 50 CDAA C[C@H]1CC(N[C@H]2CCO[C@@H]2c2nccn2C)C[C@H](C)O1 328646172 SLNLXARXGBMDCZ-IMIFBBOLSA-N 279.384 1.796 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)N=c1cco[nH]1 328636510 VNFRVXQJXGKZIE-JTQLQIEISA-N 275.312 1.019 0 50 CDAA Cc1nn(C)c(C)c1S(=O)(=O)N(C)c1ncccc1F 135579586 ZMMMPTNGXCUMQI-UHFFFAOYSA-N 298.343 1.396 0 50 CDAA CO[C@H]1CN(C(=O)CSCC(C)=O)CC[C@H]1C 427480839 RESGVSHSAFJFRQ-KOLCDFICSA-N 259.371 1.192 0 50 CDAA CCOC(=O)c1csc(CCn2cnnc2)n1 65436296 DJBFUKPOERLCSB-UHFFFAOYSA-N 252.299 1.154 0 50 CDAA CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCCCC(=O)N(C)C)C1(C)C 332067032 SRHHIVHVXCWIPB-CYZMBNFOSA-N 299.415 1.214 0 50 CDAA Cc1cccnc1[C@H](C)NC(=O)CCN1CCCO1 67820430 MAECKHOTKLAMOC-LBPRGKRZSA-N 263.341 1.595 0 50 CDAA N[C@@H]1CCCN(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2CC3)C1 333276260 LLZVLIQFBATKAS-IGQOVBAYSA-N 263.385 1.721 0 50 CDAA C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)[C@@H]2CCCC[C@@H]12 333485699 GELBDXDDBVOLMD-ZOBORPQBSA-N 281.400 1.195 0 50 CDAA CSCc1noc(CNC(=O)Cc2cccnc2)n1 67770471 HSECCIDONWJQFX-UHFFFAOYSA-N 278.337 1.187 0 50 CDAA CO[C@@H](CN1CCN(C)[C@@H](c2nc(C)no2)C1)C1CC1 333781179 UMUPIFOLTDRGJC-OLZOCXBDSA-N 280.372 1.092 0 50 CDAA CSc1nnc(NC(=O)CSc2ncccn2)s1 32696579 SXQWAWFYGYDHSK-UHFFFAOYSA-N 299.406 1.781 0 50 CDAA Cc1cc(CN2CCCO[C@@H](Cn3cccn3)C2)on1 215684038 GDUFXOWFIPJANU-CQSZACIVSA-N 276.340 1.471 0 50 CDAA Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(OC(F)(F)F)c1 32587190 VVIABKOBONBDET-UHFFFAOYSA-N 286.209 1.937 0 50 CDAA O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC2(CCOC2)C1 335126590 FXSMWCUERJMFLV-GFCCVEGCSA-N 292.379 1.026 0 50 CDAA CC(C)c1occc1C(=O)N1CC[C@](O)(c2c[nH]nn2)C1 284702280 UFBDXMHAUHWRCW-CQSZACIVSA-N 290.323 1.255 0 50 CDAA O=C(CC1(O)CCCCC1)N1CCC[C@H]1Cn1cncn1 374097674 SXYWYYYTAHLDMY-ZDUSSCGKSA-N 292.383 1.354 0 50 CDAA Cc1c[nH]cc1C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O 262426694 LVTVGSZSTZUSKI-LLVKDONJSA-N 262.309 1.650 0 50 CDAA OC[C@]1(O)CCCN(Cc2cccc3cc[nH]c23)CC1 214966193 NZWCSFZMUGVOND-INIZCTEOSA-N 274.364 1.877 0 50 CDAA CC(=O)N1C[C@@H](C)CN(Cc2cnnn2C)c2ccccc21 377839782 MGWZOXSDPPPEBR-LBPRGKRZSA-N 299.378 1.824 0 50 CDAA COC1(CC(=O)N2CC[C@@](CO)(C(C)C)C2)CCC1 378019531 XIGUQGQFIOASFL-CQSZACIVSA-N 269.385 1.813 0 50 CDAA O=c1[nH]c2ccc(-c3ccnc4[nH]ccc34)cc2[nH]c1=O 72128237 YOXUKCKWYPMASG-UHFFFAOYSA-N 278.271 1.760 0 50 CDAA CC(C)c1nc(N[C@@H](C(=O)O)C(C)C)nc(N(C)C)n1 263395775 HPKDAWDZOLXRGJ-SECBINFHSA-N 281.360 1.582 0 50 CDAA O=C(N[C@H]1CCNC1=O)c1cc2cc(Cl)ccc2[nH]1 219931473 BVPKPJAGZBODFU-JTQLQIEISA-N 277.711 1.440 0 50 CDAA Cc1cnc(CN[C@H]2CCOC3(CCOCC3)C2)cn1 77488573 QSHIRVQFWWZZMD-ZDUSSCGKSA-N 277.368 1.603 0 50 CDAA O=C(Cn1ccnc1)N(Cc1ccccn1)C1CC1 222264114 BAZGESBCMHJMEZ-UHFFFAOYSA-N 256.309 1.469 0 50 CDAA O=C(NCCc1ccco1)c1cnc2ccccn2c1=O 44896115 XYFLWXUFYRUVRI-UHFFFAOYSA-N 283.287 1.260 0 50 CDAA Cc1nc(CCN(C)C(=O)[C@@H](C)n2ccnc2C)no1 426388406 MCVOJJUVWZQTEK-SECBINFHSA-N 277.328 1.145 0 50 CDAA CC(=O)NCCCc1nc(C2CC2)nn1C(C)(C)C 96180142 MZAJITSOFKTCID-UHFFFAOYSA-N 264.373 1.979 0 50 CDAA CNc1ncc(CN(C)c2ncnc3onc(C)c23)cn1 95385474 OZQXPBVYLTUKER-UHFFFAOYSA-N 285.311 1.394 0 50 CDAA CCCC1(C(=O)O)CCN(C(=O)C2(C)COC2)CC1 426526005 HJSSDYHQJSQGER-UHFFFAOYSA-N 269.341 1.516 0 50 CDAA CC(C)CN1CCn2nc(CNc3ncccn3)cc2C1 95373742 STVGRBYBKZJZEK-UHFFFAOYSA-N 286.383 1.757 0 50 CDAA CC(C)=CC[C@]1(CO)CCCN(CCC(=O)O)C1 91444997 RQEHSQAVCBXWTQ-CQSZACIVSA-N 255.358 1.892 0 50 CDAA CCNc1ncc(C(=O)NCc2nc(C)cc(C)n2)cn1 91636804 DOIUXIZVZSAPDG-UHFFFAOYSA-N 286.339 1.245 0 50 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1875300885 VAJHCWILLOYIEX-ROUNHJLISA-N 299.392 1.122 0 50 CDAA COC(=O)/C=C/CNC(=O)c1ccc2c(c1)CCN2C 1875333403 SCAAEMPSRPEDNW-ONEGZZNKSA-N 274.320 1.138 0 50 CDAA CC(C)c1c(C(=O)Nc2cccnc2)cnc2ncnn12 1875331831 DPAXOHPIWCZHRD-UHFFFAOYSA-N 282.307 1.895 0 50 CDAA CC1=C(C(=O)NCc2cc(F)c(F)cc2F)OCCO1 952974212 TUUBSCRDSUODCL-UHFFFAOYSA-N 287.237 1.998 0 50 CDAA COCC(C)(C)C(=O)N1Cc2c[nH]nc2C[C@@H](C)C1 1303525583 ADNZCJSYIWKRAG-SNVBAGLBSA-N 265.357 1.603 0 50 CDAA Cc1cc(=N[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc[nH]1 886039199 UJEANRRVGPIJJT-LSDHHAIUSA-N 272.352 1.796 0 50 CDAA CCc1nn(C)cc1NC[C@H]1CCO[C@@H]1c1cnn(C)c1 886085433 PHGKDYLFTDKVDD-ABAIWWIYSA-N 289.383 1.906 0 50 CDAA O=C(NC1(c2ccccc2)COC1)c1ccn(C(F)F)n1 888564857 NPTPIBMJCBABOL-UHFFFAOYSA-N 293.273 1.934 0 50 CDAA O=C(O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 1772716224 ZXPOJTSLOPXWGR-UHFFFAOYSA-N 274.158 1.259 0 50 CDAA CCNC(=O)[C@@H](N[C@@H]1COC2(CCC2)C1)C(C)C 894613851 SDGUITMFFBVJQU-RYUDHWBXSA-N 254.374 1.448 0 50 CDAA C[C@H]1CN(c2cc(C(F)F)ncn2)C[C@@H]1N1CCOCC1 892856395 PVEQSRCNGVUTOZ-JQWIXIFHSA-N 298.337 1.571 0 50 CDAA Cc1nc(C2CN(c3cc(C4CC4)ncn3)C2)n[nH]1 895331067 UUSGPHIZLXVMKF-UHFFFAOYSA-N 256.313 1.384 0 50 CDAA CN(C)[S@](C)(=O)=NC(=O)/C=C/c1ccccc1 1775998447 DGZKMRQHDWHZPG-OAGJVSPASA-N 252.339 1.801 0 50 CDAA CN(CC(N)=O)C(=O)NC1CCC(c2ccccc2)CC1 1775986196 GIHXDFAIZLPJTJ-UHFFFAOYSA-N 289.379 1.840 0 50 CDAA C[C@@H](NC(=O)N=S(C)(C)=O)C(=O)NCc1ccccc1 1775989741 RDDUJCRARBYTHD-SNVBAGLBSA-N 297.380 1.129 0 50 CDAA CC[C@@H]1C[C@H](C(=O)Nc2c[nH]c(C(N)=O)c2)CCO1 272709644 DMIPIDGQHADTCA-PSASIEDQSA-N 265.313 1.257 0 50 CDAA Cn1nncc1CN[C@@H]1CCOC2(CCCC2)C1 136696212 QBMHSJRQVLLMAX-LLVKDONJSA-N 250.346 1.397 0 50 CDAA C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCOC1)c1cccnc1 275254468 HBTHJEWXABVWCQ-CMPLNLGQSA-N 286.335 1.800 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)N(C)c1ccn(C)n1 277523883 RZUOXURUGLCGBO-MNOVXSKESA-N 251.330 1.588 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](CN)CO2)C1 91303591 CYIJGWKOFZHWLD-BXUZGUMPSA-N 270.373 1.751 0 50 CDAA in-vitro O=C(c1ccc2c(c1)B(O)OC2)N1[C@H]2CCC[C@H]1CC2 584960954 ORWYXRKMYJNKTR-STQMWFEESA-N 271.125 1.061 0 50 CDAA O=C(N[C@@H]1Cc2cccc(O)c2C1)[C@H]1C[C@H]2CC[C@H]1O2 408382926 FPUZWULFJCFJJV-UQFNBPPOSA-N 273.332 1.543 0 50 CDAA C[C@H](CC(=O)N1CCO[C@H]([C@@H](C)O)C1)c1ccc(F)cc1 408520882 AAPQBYOWZHYWNL-JMSVASOKSA-N 295.354 1.928 0 50 CDAA CC(C)=CC(=O)NCc1cnc(Br)cn1 408516096 NKESCHKPKJXLHA-UHFFFAOYSA-N 270.130 1.822 0 50 CDAA NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCOC2(CCCCC2)C1 408517118 MOMBEGKATADGGU-RYUDHWBXSA-N 280.368 1.060 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NC(=O)c2cc(C)on2)C1(C)C 188820616 ROXIUHLKPJXVHY-RISCZKNCSA-N 282.340 1.279 0 50 CDAA COc1ccc(NC(=O)C2=CCOCC2)cc1OC 225384826 NCNABJCPMWZSAM-UHFFFAOYSA-N 263.293 1.989 0 50 CDAA CS(=O)(=O)C[C@@H]1CCCN(C(=O)C2CC=CC2)C1 1325011930 VAZOWXDMGMCFCQ-LLVKDONJSA-N 271.382 1.236 0 50 CDAA Cn1nnc2cc(CN[C@@H]3CCc4nc[nH]c4C3)ccc21 554982399 LJPOSDDZHYYCKE-LLVKDONJSA-N 282.351 1.339 0 50 CDAA Cc1ccc(O[C@@H](C)C(=O)NC[C@H]2CCCC(=O)N2)cc1 683973583 SAPMHPUVMNTCHN-QWHCGFSZSA-N 290.363 1.547 0 50 CDAA N[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1 191339527 VLHSFHDUHIXTMC-SNVBAGLBSA-N 268.744 1.669 0 50 CDAA N[C@H]1CCC[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)C1 61950935 KFLCNEKFIDCHNN-MNOVXSKESA-N 293.333 1.210 0 50 CDAA Cc1cc(Br)cn(CC2OCCO2)c1=O 194654986 PUFQKIKFYZVSGP-UHFFFAOYSA-N 274.114 1.292 0 50 CDAA Cc1ccc(O)c(CNC[C@H]2CC(=O)N(C3CC3)C2)n1 567240799 BLYSJIJMLACBFD-LLVKDONJSA-N 275.352 1.196 0 50 CDAA O=c1ccn(-c2ccccn2)n1CCO[C@@H]1CC1(F)F 664091164 JAZWWWUCDIFGTH-SNVBAGLBSA-N 281.262 1.458 0 50 CDAA CO[C@@H]1CCC[C@H](CC(=O)N2C[C@@H](C)O[C@@H](C(=O)O)C2)C1 668294102 QBIXDXKJAKBMEW-YVECIDJPSA-N 299.367 1.282 0 50 CDAA CSc1ncc(CNc2nc[nH]c3ncnc2-3)n1C 1506422289 NNPJLSMSMWLNKS-UHFFFAOYSA-N 275.341 1.372 0 50 CDAA Cc1nc(N)nc(N2CCOC[C@@H](CN(C)C)C2)c1Cl 1506415357 XOUDWSOMHZNUCY-JTQLQIEISA-N 299.806 1.035 0 50 CDAA Cc1noc(Cl)c1CC(=O)N1CCO[C@H](C)CC1 928536818 YVKVKHIRJFDXED-MRVPVSSYSA-N 272.732 1.816 0 50 CDAA CCn1c(=O)oc2cc(S(=O)(=O)NC3(C)CC3)ccc21 1857528164 HTYVOZBYSFWJIH-UHFFFAOYSA-N 296.348 1.445 0 50 CDAA CCCCCCOC(=O)[C@@H]1C[N@]1[C@H](CC)C(=O)OC 1857666510 YATMUZOFWQFISU-TYNCELHUSA-N 271.357 1.746 0 50 CDAA Cc1[nH]nc(O)c1CC(=O)N[C@H](C)c1ccsc1 1857682446 KMOUFGNPOOEXRH-SSDOTTSWSA-N 265.338 1.905 0 50 CDAA CN(C)c1nccnc1N1CC(c2ccncc2)C1 1704313209 HDGPINGYOCKGQN-UHFFFAOYSA-N 255.325 1.541 0 50 CDAA O=C(CS(=O)(=O)C1CC1)N1CCc2ccsc2C1 1615554988 ZTCFNIOFHAYJOF-UHFFFAOYSA-N 285.390 1.210 0 50 CDAA CC(C)(C)OC(=O)N1CCC(O)(Cn2ccnn2)CC1 1615564059 GXXVJPKUWSNQCW-UHFFFAOYSA-N 282.344 1.040 0 50 CDAA COc1nc2ccccc2cc1-c1ncn(CCO)n1 1875251424 IQZKPRRKIQXIJP-UHFFFAOYSA-N 270.292 1.494 0 50 CDAA CCSc1nnc(-c2ccc(OC)cc2)n1N 151029 ODNPPRKUJUOSJL-UHFFFAOYSA-N 250.327 1.780 0 50 CDAA Cc1occc1CN(C)S(=O)(=O)c1cnccn1 1615606166 ULMWCXVVTHEZIM-UHFFFAOYSA-N 267.310 1.199 0 50 CDAA Cn1cc(Cl)cc1C(=O)NC[C@@H]1C[C@@H]1C(=O)O 715307584 GVGZJWDQWOCGME-XPUUQOCRSA-N 256.689 1.129 0 50 CDAA CN(Cc1nccn1Cc1ccccc1)C(=O)c1cn[nH]c1 216281123 ZHVDJSCXFYBFSR-UHFFFAOYSA-N 295.346 1.927 0 50 CDAA CC(C)(C)c1nnc(CN2CCO[C@H](C(F)F)C2)o1 585080191 DTCXKNACIOWGFL-QMMMGPOBSA-N 275.299 1.833 0 50 CDAA Cc1ncc(Cl)c(N2CCC[C@](O)(CN(C)C)C2)n1 1772709380 GTVKGWBKYOJBFV-ZDUSSCGKSA-N 284.791 1.331 0 50 CDAA Cc1ccc(Nc2nc3nonc3n3nnnc23)cc1C 5330953 DHUOJPGNITYNEZ-UHFFFAOYSA-N 282.267 1.416 0 50 CDAA Cc1ccccc1NC(=O)C[C@@H]1SC(=N)NC1=O 18122863 DQAFMCGNQFMKOC-VIFPVBQESA-N 263.322 1.490 0 50 CDAA COC(=O)[C@@H]1CCCCN1C(=O)c1cnc(C)nc1C 19537630 MWHOUKSGORVUSB-LBPRGKRZSA-N 277.324 1.261 0 50 CDAA CCOc1ccccc1N1CCN(c2cncc(N)n2)CC1 1857674897 CCSYJEPGEZVJKK-UHFFFAOYSA-N 299.378 1.784 0 50 CDAA O=C(O)Cn1ccc(NC(=O)[C@@H]2COc3ccccc32)n1 122877773 WMKFBYWSWHBQFN-SNVBAGLBSA-N 287.275 1.082 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cc(C)on2)n1 408055314 SWSQCWLDVCKDIC-KCJUWKMLSA-N 292.295 1.277 0 50 CDAA CC[C@H](NC(=O)C[C@@H](C)c1ccccc1OC)C(=O)NC 408520585 MYKZQIWKIBQYBA-YPMHNXCESA-N 292.379 1.830 0 50 CDAA Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CCC[C@H]1CN 416433329 OPBXTWJIEGJNCZ-WCQYABFASA-N 279.388 1.077 0 50 CDAA CCOC[C@@H](C)N[C@H](c1nc(C)no1)C1CCOCC1 328618347 DQMSFJNGSGNPJR-MFKMUULPSA-N 283.372 1.860 0 50 CDAA CSc1nc(O)nc(C)c1C(=O)NC1C[C@@H]2C[C@H]2C1 333418440 INVVLUHDFNSIEM-YUMQZZPRSA-N 279.365 1.741 0 50 CDAA CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccncc2)C(=O)O)C1 570106763 QDAWUBOSPBXIJZ-XQQFMLRXSA-N 292.335 1.470 0 50 CDAA COc1cccc([C@H](C)C(=O)N2CCC[C@H](N)C2)c1 157855594 OPYIJWUQUAEWCE-AAEUAGOBSA-N 262.353 1.748 0 50 CDAA Cc1ccnc(N2CCN(CC[C@@H]3CCCN3C)CC2)c1 163351265 OSBWKAJBPBXRTR-INIZCTEOSA-N 288.439 1.996 0 50 CDAA CC[C@@H](NC(=O)c1conc1C1CCCC1)C(=O)O 901467625 SNRDNDYHDOLCKL-SNVBAGLBSA-N 266.297 1.925 0 50 CDAA CCCN(C)C(=O)[C@@]1(N)CCc2c(OC)cccc21 912262815 FBHRGZPXQFQTTM-OAHLLOKOSA-N 262.353 1.664 0 50 CDAA C[C@H]1Cc2cc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)ccc2O1 851625790 VQPUOVSUEQLQJE-UWJYBYFXSA-N 275.304 1.603 0 50 CDAA Cc1cccc(CN(C)C(=O)Nc2nnn(C(C)C)n2)n1 933456581 MGCHDTPDPABVIE-UHFFFAOYSA-N 289.343 1.621 0 50 CDAA CN(c1nccc(Cl)n1)[C@@H](O)c1cccnc1 1857795311 OACAQVZBYNDGOJ-JTQLQIEISA-N 250.689 1.652 0 50 CDAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)[C@H](C)C(=O)O 252457989 DRLIPOLBDQHMCK-VDDIYKPWSA-N 279.292 1.146 0 50 CDAA CCc1ccc(C(=O)NCCn2cnc(C(=O)O)c2)s1 231631025 LFRFBVWJGLHVJG-UHFFFAOYSA-N 293.348 1.635 0 50 CDAA O=C(CNC(=O)c1ccccc1F)Nc1nccs1 6728049 PIZFAYVLCMSMDN-UHFFFAOYSA-N 279.296 1.651 0 50 CDAA N[C@@H]1CC[C@H]2CN(C(=O)c3cc(Cl)ccn3)C[C@@H]12 170078562 YPIHEGPZCTYZTH-JMJZKYOTSA-N 265.744 1.544 0 50 CDAA CCc1ccccc1S(=O)(=O)N[C@@H]1CCCN[C@H]1C 193451010 AXVRYIMJJRHDGW-WCQYABFASA-N 282.409 1.668 0 50 CDAA CCN1C[C@H](N[C@@H]2C[C@H](N)c3ccccc32)CC1=O 333526545 IDAKOMFEEHRMBA-DDTOSNHZSA-N 259.353 1.342 0 50 CDAA CN(C)C(=O)c1ccc(NC2CC(S(C)(=O)=O)C2)cc1 716119564 AIBLMPMMCQXHIX-UHFFFAOYSA-N 296.392 1.376 0 50 CDAA CCc1nccn1CCCNc1ccc(C(N)=O)cn1 952867269 LLQZPGRDYMUWPH-UHFFFAOYSA-N 273.340 1.442 0 50 CDAA CN(C)CCCn1nnc2c(=O)oc3ccccc3c21 198780 SJOYOFRLZWWACK-UHFFFAOYSA-N 272.308 1.489 0 50 CDAA O=C(O)C[C@@H]1CN(Cc2ccc(F)c3ccoc23)C[C@H]1O 2325773442 ZGYWWGRBAUKESR-ZWNOBZJWSA-N 293.294 1.839 0 50 CDAA Cc1cccn2c(=O)cc(N3CCO[C@H](C)[C@@H]3C)nc12 2325789305 IYXKFAJOEJUUDC-NWDGAFQWSA-N 273.336 1.617 0 50 CDAA C[C@@H]1C[C@@]2(C(=O)N3C[C@H](C(=O)O)C[C@@H]4COCC[C@H]43)C[C@@H]12 2325797868 ZLHKIXIMZNGNLG-WAAIHABXSA-N 293.363 1.371 0 50 CDAA CCc1c[nH]c2ncnc(N(C)C[C@@H]3[C@H]4CNC[C@H]43)c12 2325800108 PUCLCGNHJOJJRM-GDNZZTSVSA-N 271.368 1.422 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N)S2)cc1 216229 ZRRVAFHXZSACSY-VIFPVBQESA-N 263.322 1.280 0 50 CDAA Cc1ccc(C)c(NC(=O)CSc2nnnn2C)c1 306104 CDJWPOSJSCQBFS-UHFFFAOYSA-N 277.353 1.558 0 50 CDAA COc1ccc(CCNC(=O)c2cc(C)on2)cc1OC 426261 HRSUZODIAXSVGL-UHFFFAOYSA-N 290.319 1.973 0 50 CDAA biogenic Cn1nc(O)c2c(-c3ccccc3)c3c(O)nn(C)c3nc21 431557 QGSWJCLQJQLWNC-UHFFFAOYSA-N 295.302 1.933 0 50 CDAA COC(=O)c1ccc(C(=S)N2CCOCC2)cc1 615604 JRKMHEKLMQFLCG-UHFFFAOYSA-N 265.334 1.481 0 50 CDAA Cc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1 818875 PSACMDHUKWGXEA-UHFFFAOYSA-N 290.304 1.393 0 50 CDAA COCCCNC(=O)c1ccc(NC(C)=O)cc1 2633692 VHJCUBHHRKRRTM-UHFFFAOYSA-N 250.298 1.411 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1 2854921 NTYBNCQWAGMSGA-CYBMUJFWSA-N 293.342 1.365 0 50 CDAA O=C(O)c1cccc(S(=O)(=O)NCc2cccnc2)c1 3336142 NWCVQSMJDGOZBY-UHFFFAOYSA-N 292.316 1.258 0 50 CDAA CC(C)N(CCCNC1=NCCCCN1)C(C)C 521396916 FECHETDBELDLMX-UHFFFAOYSA-N 254.422 1.824 0 50 CDAA CCOC(=O)CN(C)[C@H](C)Cc1cc(C)ccn1 55309952 QDZWVXNIYCYMEI-GFCCVEGCSA-N 250.342 1.816 0 50 CDAA CC(C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 100613642 JGPMRRFYEISBCR-UHFFFAOYSA-N 286.331 1.792 0 50 CDAA biogenic CN(C[C@H]1COCCO1)C(=O)c1nccc2ccccc12 20683556 AMPKXZURUFYHSV-ZDUSSCGKSA-N 286.331 1.722 0 50 CDAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2cccnc2)C1 109972541 AWNPXOVHOPWQFP-GJZGRUSLSA-N 281.359 1.863 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(c2nc(C)ns2)C1 328591139 QGGQEFYUEIOFFN-RYUDHWBXSA-N 282.413 1.536 0 50 CDAA Cc1cccc(C)c1OC[C@H](O)CN1CCC[C@@H](O)C1 229106494 TYFXLGFJCDVAIB-HUUCEWRRSA-N 279.380 1.500 0 50 CDAA CNC(=O)c1ccc(N2CCc3ccccc3CC2)nn1 301441252 OVCSBHASMIDXMT-UHFFFAOYSA-N 282.347 1.441 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCCN1CCO[C@@H](CN(C)C)C1 230232317 GNZGUMMPJIJLEQ-PMPSAXMXSA-N 284.444 1.844 0 50 CDAA C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccn(CC(=O)O)n2)C1 123081139 AXNLGLMZGXUTNI-GHMZBOCLSA-N 295.339 1.502 0 50 CDAA CO[C@H]1COC[C@@H]1Nc1cc(C(C)C)nc(C)n1 65396361 KFBMEJPHNSMHFX-RYUDHWBXSA-N 251.330 1.734 0 50 CDAA COc1ncccc1CN1CC[C@@H](c2nc(C)no2)C1 332086123 RBZYTJLERVGRGW-GFCCVEGCSA-N 274.324 1.771 0 50 CDAA Cc1cc(F)ccc1C(=O)N1CCOC[C@@H]1C(=O)O 126908303 XWLZZUNQNHTDOV-LLVKDONJSA-N 267.256 1.060 0 50 CDAA C[C@@H]1C[C@@H](NS(=O)(=O)CC[C@H]2CCCO2)CCO1 242196975 XGQOHPKXRRSKPS-GRYCIOLGSA-N 277.386 1.042 0 50 CDAA CC(C)CCC[C@@H]1CN(S(=O)(=O)N(C)C)CCO1 39552332 WTJJUHLFEOVFRC-GFCCVEGCSA-N 278.418 1.320 0 50 CDAA O=C([C@H]1CC12CCCC2)N1CC[C@@H](N2CCCC2=O)C1 335873203 DLBPJGVFLFBXEJ-CHWSQXEVSA-N 276.380 1.790 0 50 CDAA CN1C(=O)[C@@]2(CCCN(Cc3ncc[nH]3)C2)c2ccccc21 72127153 VSHVWDBPLRXVIY-QGZVFWFLSA-N 296.374 1.920 0 50 CDAA CN1C[C@]2(CCN(C(=O)CCc3cccnc3)C2)OC1=O 72143881 SHQDRDMNNYDTCI-HNNXBMFYSA-N 289.335 1.067 0 50 CDAA CCOc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](C)O 36638815 RTOMPKTUIPRSOJ-LLVKDONJSA-N 287.381 1.361 0 50 CDAA CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccnc1 246878782 GMAGAYSUHSJNRA-OLZOCXBDSA-N 295.408 1.329 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CN[C@@H](C(=O)O)C2 72232777 VCWDXMPEVSUFHI-SNVBAGLBSA-N 284.356 1.450 0 50 CDAA CCn1ccnc1C(=O)N1CCCC[C@@H](CO)C1 365857839 SXVJWCQOVDQHGD-LLVKDONJSA-N 251.330 1.138 0 50 CDAA CCN1CCC(CNC(=O)c2ccc3c(c2)CNC3)CC1 156744720 CEADIXFVTXGYOX-UHFFFAOYSA-N 287.407 1.752 0 50 CDAA Oc1ccc(Cl)c(CN2CCOC[C@@H](O)C2)c1Cl 77424123 YHBYBLQCOGOHNS-QMMMGPOBSA-N 292.162 1.892 0 50 CDAA CCCN(CC(=O)O)C(=O)c1cccc(C(=O)O)c1 262354720 HBLUDYNVNBCPPH-UHFFFAOYSA-N 265.265 1.322 0 50 CDAA CCN1CCN([C@@H]2CCN(C[C@@H]3CCSC3)C2)CC1 375749179 MTRDMPWNQROHFW-LSDHHAIUSA-N 283.485 1.451 0 50 CDAA Cc1ccc(NC(=O)C2CCN([C@@H](C)C(=O)O)CC2)nc1 262673728 SSERWACGGVWCTR-NSHDSACASA-N 291.351 1.514 0 50 CDAA O=C([C@H]1CCOC1)N1CCC12CCC(CO)CC2 378444185 LNMAGGCZRVAKDE-LXVYMNJGSA-N 253.342 1.177 0 50 CDAA C[C@H](O)Cn1ncc(N(C)Cc2ccccc2)cc1=O 72148019 UBWRHYWKVSEAIM-LBPRGKRZSA-N 273.336 1.261 0 50 CDAA CCC[C@@]1(CO)CCN(c2ccc(C(=O)N(C)C)cn2)C1 288848560 JSKJNYKMRINWMS-MRXNPFEDSA-N 291.395 1.772 0 50 CDAA CCN1CCN(c2nc(C(C)C)nc3c2cnn3C)CC1 72141649 SKRDJIZPAYASKI-UHFFFAOYSA-N 288.399 1.629 0 50 CDAA O=C(NCC1CCN(c2ncccn2)CC1)C1CCCC1 43976679 WIRTZAZHNODLBU-UHFFFAOYSA-N 288.395 1.999 0 50 CDAA CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)ncn2C)C(=O)O 263453804 UAMFUIIRWYONLH-ZANVPECISA-N 289.335 1.802 0 50 CDAA Cc1cccnc1NCCNc1cc(C2CC(O)C2)ncn1 222385096 CHAIGZOXHGNVLS-UHFFFAOYSA-N 299.378 1.942 0 50 CDAA O=C(NOCc1cccnc1)[C@H]1COc2ccccc2O1 160794607 VZCBTCDLSBSJKS-CQSZACIVSA-N 286.287 1.469 0 50 CDAA CCN(C)C[C@@H]1CCN(C(=O)NCCn2cc(C)cn2)C1 177879188 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293.367 1.392 0 50 CDAA COc1ccc(-c2nc[nH]n2)cc1N1CCOCC1 670472345 ZYQLPOOHEHUETA-UHFFFAOYSA-N 260.297 1.317 0 50 CDAA O=C1N[C@H]2CCC[C@@H]1CN(CCOCc1ccccc1)C2 670456846 GSQUPMBRQDHAII-CVEARBPZSA-N 288.391 1.804 0 50 CDAA COc1ccc2[nH]cc(CCNC(=O)c3nccn3C)c2c1 741262219 BLRCJPNSUVVCIT-UHFFFAOYSA-N 298.346 1.883 0 50 CDAA CN1C[C@@H](C(=O)N2CC=CCC2)[C@H](C(F)(F)F)C1 952992018 HVGWLJGCGPURMA-NXEZZACHSA-N 262.275 1.515 0 50 CDAA Cc1cc(C(=O)N=c2[nH][nH]cc2C(C)C)cc2nn[nH]c12 1875293984 JQRNELHWXCFQNV-UHFFFAOYSA-N 284.323 1.787 0 50 CDAA O=C(NCCn1cccnc1=O)C1CCCCCCC1 1875276188 BBBYWOOKUPRENY-UHFFFAOYSA-N 277.368 1.720 0 50 CDAA Cc1cccn2c(C(=O)Nc3nnc(C4CC4)n3C)cnc12 1875309240 ZREPRLDYYRMNGR-UHFFFAOYSA-N 296.334 1.901 0 50 CDAA Cc1ccc(C(=O)NCC(=O)NCc2ccnc(C)n2)cc1 1875363385 OMWFTUAKXCMTES-UHFFFAOYSA-N 298.346 1.140 0 50 CDAA c1nc2nsnc2cc1-c1ncn(CC2CC2)n1 1875322991 QYRNLYJLSVXCCX-UHFFFAOYSA-N 258.310 1.755 0 50 CDAA c1cn(-c2ccc(OC[C@@H]3C[N@@]3C3CCC3)cc2)nn1 1875380409 NXKQEJFXFZDWIW-KSSFIOAISA-N 270.336 1.883 0 50 CDAA CCOC(=O)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1 169980130 WFLBNYCGIQWONC-UHFFFAOYSA-N 294.156 1.117 0 50 CDAA CCc1csc(N2CCC(O)(c3ncnn3C)CC2)n1 1775276199 GSJJPSGHTSRIAK-UHFFFAOYSA-N 293.396 1.322 0 50 CDAA C=CC(=O)NCc1cc(Cl)ccc1N1CCOCC1 1335868036 YJTWEIUAWHWBMV-UHFFFAOYSA-N 280.755 1.979 0 50 CDAA Cc1ncc(Cl)c(N[C@@H]2CCS(=O)(=O)C2)n1 1162490548 NWNMEUFZSRELCH-SSDOTTSWSA-N 261.734 1.037 0 50 CDAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)CNC)C1 168340351 DGMWIAHOUMRRRU-CHWSQXEVSA-N 278.400 1.465 0 50 CDAA O=C(Cn1cccn1)N[C@H]1CCCO[C@@H]1c1ccncc1 275637086 OAABASSHNHCVQU-DZGCQCFKSA-N 286.335 1.315 0 50 CDAA CCOC(=O)C1(S(=O)(=O)NCC2(CC)CC2)CCC1 585115662 MIEBILBXEHRYEZ-UHFFFAOYSA-N 289.397 1.582 0 50 CDAA CC[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(C(N)=O)nc1 277715460 SOMWQOQDWMKIJK-CMPLNLGQSA-N 277.324 1.324 0 50 CDAA COc1cccc(NC(=O)CCC(=O)O)c1OC 170091287 YYCXMYAJDAUQNU-UHFFFAOYSA-N 253.254 1.507 0 50 CDAA C[C@H](CC(=O)N[C@H]1CCNC1=O)Cc1cccc(F)c1 585113009 VMHRHCZKVBUGDR-GWCFXTLKSA-N 278.327 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CC[C@]1(O)CCN(C(=O)c2sc(C)cc2OC)C[C@@H]1O 216941779 QOWMTHFPIFGAJV-FZMZJTMJSA-N 299.392 1.413 0 50 CDAA CC(F)(F)CNC(=O)[C@H]1NCCOc2ccccc21 1615555041 XDUPBYJEUVBVBD-NSHDSACASA-N 270.279 1.481 0 50 CDAA C[C@H]1CNC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 1615572233 YTZRHHDBYWQEJO-HZMBPMFUSA-N 287.363 1.109 0 50 CDAA CCOCC(=O)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775984122 HXXCMVADOJXBPC-CQSZACIVSA-N 263.341 1.253 0 50 CDAA CC[C@H](CO)NS(=O)(=O)c1cc(OC)c(C)cc1C 11566192 BJRFQJZSESRQFJ-LLVKDONJSA-N 287.381 1.361 0 50 CDAA O[C@H]1/C(=C/c2ccc3c(c2)OCO3)N2CCC1CC2 13495534 GBJBJJSHFYGKAG-WASHYIJTSA-N 259.305 1.843 0 50 CDAA CC[C@H](C(N)=O)N(c1ccc(C)cc1)S(C)(=O)=O 13712909 BBJIEEQWVPHHJG-LLVKDONJSA-N 270.354 1.025 0 50 CDAA CC[C@@H](C)NC(=O)c1cnc2sc(C)c(C)n2c1=O 16649661 KZSHDADDGKUPSS-SSDOTTSWSA-N 279.365 1.901 0 50 CDAA CS(=O)(=O)c1ccc(-c2cncc(C(=O)O)c2)cc1 16948082 YOCRSNWIZIKZCZ-UHFFFAOYSA-N 277.301 1.850 0 50 CDAA O=C(O)Cn1c2ccccc2c2nnc(S)nc21 17744184 LCMDWJXBUZDEKA-UHFFFAOYSA-N 260.278 1.353 0 50 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295.270 1.545 0 50 CDAA Cc1nc(N)sc1CC(=O)N(C)C[C@@H]1CCCO1 670445300 VCQKMRQBYNNJSA-VIFPVBQESA-N 269.370 1.214 0 50 CDAA Cc1ncn(C)c1C(=O)N1CCC[C@]2(CCN(C)C2)C1 670441093 VSJGYUUPKSIBNM-OAHLLOKOSA-N 276.384 1.286 0 50 CDAA CN1C[C@H](C(=O)Nc2c[nH]ccc2=O)[C@@H](C(F)(F)F)C1 952880132 BRSNONYTFKMKPW-YUMQZZPRSA-N 289.257 1.054 0 50 CDAA CCCOc1ccnc(NCc2cc(C)[nH]c(=N)c2)n1 1875288060 MBZGUSPNMLRLHE-UHFFFAOYSA-N 273.340 1.993 0 50 CDAA Cc1cc(O)c(Cl)cc1C(=O)N1CCC[C@@H]1C(N)=O 1875292836 USNIQLJXHSAKNC-SNVBAGLBSA-N 282.727 1.444 0 50 CDAA Cc1ccc2cc(C(=O)N[C@H]3CCC(=O)NC3=O)cnc2c1 1875283430 RXSJMQNMXKAXCH-LBPRGKRZSA-N 297.314 1.078 0 50 CDAA NC[C@]1(C2CCOCC2)CCN(C(=O)c2ccsc2)C1 1875277839 IYVWPEKLEUNULU-OAHLLOKOSA-N 294.420 1.966 0 50 CDAA C=CC(=O)N1CC(C(=O)N2CC[C@]3(CCCCCO3)C2)C1 1875387642 QSEKTLXQKQIIOH-MRXNPFEDSA-N 292.379 1.193 0 50 CDAA O=C(N[C@@H]1CS[C@H](C(=O)O)C1)c1ccc2c(n1)CCC2 1875300970 YCFPYTHDWHOCEG-CABZTGNLSA-N 292.360 1.259 0 50 CDAA CC[C@H]1C(=O)NCCCN1Cc1nc(C(F)(F)F)no1 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RGDOQVKZFIHYLH-QWRGUYRKSA-N 262.313 1.905 0 50 CDAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C[C@@H](O)CO 929707799 ZMGQHFSYBJVMIW-HUUCEWRRSA-N 285.359 1.170 0 50 CDAA COc1ccc(Cl)c(CN2C[C@H](O)C[C@H]2CO)c1 225400099 APDWMRDKELUCHH-WDEREUQCSA-N 271.744 1.276 0 50 CDAA CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(O)CC1 241701760 QKXOKDYDBZZLGS-NWDGAFQWSA-N 256.346 1.110 0 50 CDAA O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CC(F)(F)CN1 263203192 JIUMPVWVDFTNTK-UKKRHICBSA-N 286.322 1.057 0 50 CDAA Cc1ncn(CCNC(=O)c2cncc(O)c2)c1C 584901191 PQGHTADZFFUUCK-UHFFFAOYSA-N 260.297 1.031 0 50 CDAA CN(CCN1CCOCC1)[C@@H](C(=O)O)c1ccccc1 737441959 RSXYELKPLBQRDJ-CQSZACIVSA-N 278.352 1.076 0 50 CDAA c1ccc2c(c1)CCc1nnc(Cn3cncn3)n1C2 2100534423 HMQODKSMXUNWOW-UHFFFAOYSA-N 266.308 1.065 0 50 CDAA CC1(C)[C@@H](O)C[C@@H]1NC(=O)c1ccn2ncccc12 2325798003 FRRFKROTPOTWKL-RYUDHWBXSA-N 259.309 1.224 0 50 CDAA C[C@@H](CCc1ccccc1F)C(=O)N1CC[C@H](N)C1 152284656 RHMIDRRDVYGPCD-AAEUAGOBSA-N 264.344 1.954 0 50 CDAA O=C(NC[C@@H]1CCCO1)[C@@H]1CC(c2ccccc2O)=NO1 1126374 MSIWLSSJQFINNZ-HZMBPMFUSA-N 290.319 1.180 0 50 CDAA Cc1ncc(CN2CCC[C@]23CCCN(C)C3=O)cn1 2356147234 NMOVZTSSWSLIJR-HNNXBMFYSA-N 274.368 1.372 0 50 CDAA CC(=O)Nc1ccc(NC(=O)C(=O)NC(C)C)cc1 4839726 IGJFQNDQKJMVRA-UHFFFAOYSA-N 263.297 1.108 0 50 CDAA CC(C)C[C@H](CCC(=O)N1CCOCC1)C(=O)O 4855432 NCWYALANJRJTTP-NSHDSACASA-N 257.330 1.372 0 50 CDAA CCOC(=O)c1c(N)n[nH]c1NC(=O)c1ccc(F)cc1 6493481 GLCAZNHXLSAEDA-UHFFFAOYSA-N 292.270 1.560 0 50 CDAA CCCCS(=O)(=O)N1CCN(c2ccccn2)CC1 6699434 FGNRICQAHKXIKJ-UHFFFAOYSA-N 283.397 1.334 0 50 CDAA COc1ccccc1C1=NO[C@H](C(=O)N2CCCC2)C1 6738346 GGRQVEWNQNKSTR-AWEZNQCLSA-N 274.320 1.811 0 50 CDAA CCCn1c(=O)c(C(=O)NC)c(O)c2ccccc21 100329562 VIZHGWHLXLRVMD-UHFFFAOYSA-N 260.293 1.477 0 50 CDAA C[C@@]1(O)CCN([C@H]2CCCN(Cc3ccccc3)C2=O)C1 110696237 WADUQEFWEPFWRH-DOTOQJQBSA-N 288.391 1.634 0 50 CDAA CCN1CCC[C@@H]1CNC(=O)Cn1c(C)ccc1C 170622901 VJAZXWAPERFILZ-CQSZACIVSA-N 263.385 1.705 0 50 CDAA CCCN(C)C(=O)c1cc(CN2CCN(CC)CC2)on1 67673916 SYCXOPLWFZLZJA-UHFFFAOYSA-N 294.399 1.294 0 50 CDAA C[C@@H]1Cc2cc(CNC(=O)c3ccc(=O)n(C)c3)ccc2O1 65409990 XZDJGTUOUNSAFQ-LLVKDONJSA-N 298.342 1.639 0 50 CDAA COc1ccc(-c2ccccc2CN2CCOCC2)nn1 20451618 PJLUNIHMQOBBBJ-UHFFFAOYSA-N 285.347 1.984 0 50 CDAA CCOCCN[C@@H](C)c1cccc(-n2cnnc2)c1 863983318 FTMSPZBBSRTFCS-LBPRGKRZSA-N 260.341 1.954 0 50 CDAA COc1ccc(NC(=O)NCCCn2cncn2)c(C)c1 66164137 WOSRSCVQDXWYFF-UHFFFAOYSA-N 289.339 1.807 0 50 CDAA Cc1cccc(CN[C@H](C(=O)O)c2ccnn2C)c1C 424624126 QKZQDIGKXBBVKS-AWEZNQCLSA-N 273.336 1.952 0 50 CDAA CO[C@H]1C[C@@H](CN2CCCC2)N(Cc2ncccn2)C1 347919071 IEDLBLQJKUZEEV-KBPBESRZSA-N 276.384 1.162 0 50 CDAA C[C@@H]1CNC(=O)CCN1Cc1ccc(Cl)nc1 67473425 VRRBQNMHPLJLOR-SECBINFHSA-N 253.733 1.445 0 50 CDAA CCc1ccc(N([C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 65365828 KSHLSNAJNGQBCW-JTQLQIEISA-N 284.381 1.150 0 50 CDAA CC[C@H](CC(F)(F)F)N1C(=O)N[C@H](CC(=O)OC)C1=O 431717646 ZXFZLTNOCBMCLC-RNFRBKRXSA-N 296.245 1.201 0 50 CDAA Cc1oncc1CN1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O 331498068 QJUAEEFWOMYMLJ-MJBXVCDLSA-N 266.341 1.345 0 50 CDAA COc1ncc(-c2c(C#N)c(N)nc3c2CCCC3)cn1 67946593 WXRYXUMWQFIXFS-UHFFFAOYSA-N 281.319 1.880 0 50 CDAA CSc1ncccc1C(=O)N(C)Cc1nc(C)no1 67674384 UDJKMKKUSBTUPG-UHFFFAOYSA-N 278.337 1.767 0 50 CDAA COC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1 1394997 ATFYGPORNCPDNP-UHFFFAOYSA-N 270.720 1.102 0 50 CDAA CC(C)(C(=O)N1CCC[C@@H](CCO)CC1)N1CCOCC1 332265331 FQRQBTLXHAYQIR-CQSZACIVSA-N 298.427 1.108 0 50 CDAA Cc1c[nH]c(Cn2cnc3c(C)csc3c2=O)n1 32534897 JSNABQDWLUYWFI-UHFFFAOYSA-N 260.322 1.846 0 50 CDAA Cc1noc([C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)n1 284549923 HSLDJGOUDPWJDU-YGRLFVJLSA-N 287.319 1.867 0 50 CDAA Cn1ccc2c(-c3ncccc3C(N)=O)ccnc21 72126353 KYGYFKJXMPYGKA-UHFFFAOYSA-N 252.277 1.734 0 50 CDAA CC(C)c1noc(CCC(=O)NCCCC(=O)O)n1 236862921 CVSWXVFXKOFSSJ-UHFFFAOYSA-N 269.301 1.107 0 50 CDAA COC[C@H](O)CN1CC[C@@H](Nc2ccccc2)C1 127900334 KTACGRJNZSCJIB-ZIAGYGMSSA-N 250.342 1.180 0 50 CDAA CC(=O)NC(C)(C)c1noc([C@@H]2CCO[C@H]2C(C)C)n1 252508777 XTFFUYRWGRXDIA-MNOVXSKESA-N 281.356 1.969 0 50 CDAA CN(CCC(=O)O)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 237225351 KCHMOJICFBWAOD-JTQLQIEISA-N 297.738 1.824 0 50 CDAA CCc1nn(C)c(Cl)c1CN1CC(N2CCOCC2)C1 215098376 XTJPQPHCPZBWPP-UHFFFAOYSA-N 298.818 1.152 0 50 CDAA CN(C)[C@H]1CCCN(C(=O)CCc2csc(N)n2)CC1 72152747 GPUSZHZJKNKFFG-LBPRGKRZSA-N 296.440 1.601 0 50 CDAA CNC(=O)[C@H]1CCCC[C@@H]1NCc1nc(C(C)(C)C)no1 131060403 LWHMYPTYHWDGTQ-QWRGUYRKSA-N 294.399 1.762 0 50 CDAA CCc1cccc(OCCN2CCO[C@H](C)[C@H]2C(N)=O)c1 285280912 UCYFQDBLYBILAZ-DOMZBBRYSA-N 292.379 1.202 0 50 CDAA CCOC(CN1CC[C@H]2CCN(C)C[C@H]21)OCC 253417100 QBFKFYOKDYAHRC-CHWSQXEVSA-N 256.390 1.412 0 50 CDAA COC(=O)[C@H]1CCN(Cc2cc(F)ncc2F)C[C@@H]1C 253430658 NDIVOQVCHZJAGM-ONGXEEELSA-N 284.306 1.991 0 50 CDAA CN(Cc1ncon1)C(=O)[C@H]1CCCN1c1ccccc1 241897210 TWOMINIYSMISMG-CYBMUJFWSA-N 286.335 1.697 0 50 CDAA Cc1ccn2ncc(C(=O)NCc3ccc(F)cn3)c2n1 358224475 BCPXTEKOEBKTRC-UHFFFAOYSA-N 285.282 1.502 0 50 CDAA CC[C@@H](N)C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 152868041 JZWBTGQDTPJYFP-VXGBXAGGSA-N 279.388 1.302 0 50 CDAA O=C(O)C[C@H]1COCCN1C(=O)C=C(C1CC1)C1CC1 367296502 XTNUEWUBAZJREZ-LBPRGKRZSA-N 279.336 1.435 0 50 CDAA Cc1ccccc1-c1ncc(-c2nccn2CC(N)=O)cn1 71771029 JVRLBWRKFAMIGQ-UHFFFAOYSA-N 293.330 1.801 0 50 CDAA O[C@@]1(Cn2ccnn2)CCCN(C/C=C/c2ccccc2)C1 285555541 QXJYOZYZAXFRID-AUNFYEFLSA-N 298.390 1.818 0 50 CDAA O=C(O)C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)cc1 71248404 JNAZKRWBWHFJJL-LLVKDONJSA-N 282.727 1.115 0 50 CDAA O=C(N[C@@H]1CCCCC[C@H]1C(=O)O)[C@H]1CCCO1 157702634 DLXYELYLCXNRFC-GMTAPVOTSA-N 255.314 1.315 0 50 CDAA CC(=O)N1CCc2c(nc(C)nc2NCc2ccco2)C1 72158552 SIOGITMGRGCWPU-UHFFFAOYSA-N 286.335 1.895 0 50 CDAA CCOC1CC(O)(CNc2cccc(C(=O)O)n2)C1 263409596 LXCVKGTTWYTGTI-UHFFFAOYSA-N 266.297 1.122 0 50 CDAA CC(C)CCN1C[C@H](C(=O)Nc2ccncc2)CC1=O 40455972 PCNCRNRFQPSXHR-GFCCVEGCSA-N 275.352 1.915 0 50 CDAA CCN(CC1CCOCC1)C(=O)Cc1cnccn1 223828123 UXHFATXEYDEVGC-UHFFFAOYSA-N 263.341 1.294 0 50 CDAA Cc1nccn1[C@H](C)C(=O)N(C)CCCn1cccn1 426525945 CETHXFNFWZMUOL-GFCCVEGCSA-N 275.356 1.498 0 50 CDAA Cc1cccnc1C(=O)NCCCOC1CCN(C)CC1 223789396 YQCRWUCUHTUNHF-UHFFFAOYSA-N 291.395 1.621 0 50 CDAA Cc1nc(C(C)C)oc1C(=O)NCc1ccnn1C 292284711 OUNVHWJRGXJMKJ-UHFFFAOYSA-N 262.313 1.770 0 50 CDAA N[C@H]1CCN(C(=O)/C=C/c2cccc3cccnc23)C1 237841249 APNRATRZTYQONO-UZYOAWRESA-N 267.332 1.808 0 50 CDAA Cn1nc(C(=O)N2CCC[C@H]2c2ccco2)ccc1=O 97775898 OKHZPAGCFMPARD-NSHDSACASA-N 273.292 1.351 0 50 CDAA Cc1cnc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cn1 97514282 PFBWXSHRSFPASY-UHFFFAOYSA-N 281.319 1.900 0 50 CDAA CN(Cc1nc(-c2ccccn2)no1)c1ncccn1 91644905 BQQSFCVAOSAJQG-UHFFFAOYSA-N 268.280 1.558 0 50 CDAA Cc1cncnc1C1CCN(c2ccncn2)CC1 91620434 XQBIZSOWXKPTKH-UHFFFAOYSA-N 255.325 1.959 0 50 CDAA CCN(CCO)Cc1cc(=O)c2cc(C)ccc2[nH]1 92064972 OPUNXQNPQWOPSX-UHFFFAOYSA-N 260.337 1.651 0 50 CDAA O[C@H]1COC2(CCN(Cc3cccc4nonc34)CC2)C1 97696170 KCNSBFIBRZPACH-GFCCVEGCSA-N 289.335 1.339 0 50 CDAA COC(=O)NCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 91915490 SOQKJMFJXYMDDR-MRXNPFEDSA-N 290.363 1.923 0 50 CDAA COC[C@]1(O)CCN(C(=O)c2cnccc2C)CC1(C)C 91985369 TXPXJBLBMNIIBU-MRXNPFEDSA-N 292.379 1.640 0 50 CDAA Cc1nonc1OCCNC(=O)CC[C@H]1CCCCN1C 95372923 NPGDANDYTQCBKH-GFCCVEGCSA-N 296.371 1.138 0 50 CDAA CCCc1nnc(N2CCC[C@@]3(CCN(C)C3)C2)o1 95358077 SPZRHEXAGYFMJL-AWEZNQCLSA-N 264.373 1.944 0 50 CDAA Cc1c(C(=O)N(C)C[C@H](O)CO)[nH]c2c(F)cccc12 97797392 HZVRVDNRLNOBHW-VIFPVBQESA-N 280.299 1.041 0 50 CDAA CSc1ccc(-n2ncnc2CNC(=O)N(C)C)cc1 95392752 BOMCAFLKFJMAKF-UHFFFAOYSA-N 291.380 1.760 0 50 CDAA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 245227096 ZVFZAJHKHVRPQL-DVZHBHJUSA-N 269.300 1.515 0 50 CDAA Cn1cc(CCCNC(=O)CCCn2ccnc2)cn1 244811475 SDKUJIDJNYAWLV-UHFFFAOYSA-N 275.356 1.146 0 50 CDAA O=C(O)[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 299751350 QMAOGICYILNQFR-UPJWGTAASA-N 281.352 1.515 0 50 CDAA CCCC[C@H](C(N)=O)N1CCC[C@@H]1[C@H]1CCCN1C(C)=O 299754278 DZJJBYHRPXAQOC-RBSFLKMASA-N 295.427 1.506 0 50 CDAA 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274.320 1.681 0 50 CDAA COc1cccc([C@@H](C)n2cnc3cn(C)nc3c2=O)c1 584891720 OXQSJNDJACHJBG-SNVBAGLBSA-N 284.319 1.748 0 50 CDAA COc1ccc2ncn([C@@H]3CCCC[C@H]3O)c(=O)c2c1 584895899 SZHOPHQGVZPQED-ZIAGYGMSSA-N 274.320 1.881 0 50 CDAA Cc1nnc(CN2CCC3(CCC(=O)NC3)CC2)s1 670453630 OHJUZRIRFZSWLU-UHFFFAOYSA-N 280.397 1.339 0 50 CDAA CCCOC[C@H]1CCN(C(=O)c2c(C)ncnc2C)C1 584894748 OGFWDLTWXDVIQV-ZDUSSCGKSA-N 277.368 1.982 0 50 CDAA CCC(=O)c1cc(C(=O)NC/C=C/C(=O)OC)ccc1F 1875273202 FTIXFYNJKQTING-SNAWJCMRSA-N 293.294 1.877 0 50 CDAA Cc1nnn(CC(=O)N[C@H](C)c2cccc(C(C)C)c2)n1 1875295586 KJVNSOORHFUPEH-LLVKDONJSA-N 287.367 1.982 0 50 CDAA Cc1cc(NC(=O)N2CCc3cncnc3CC2)on1 1875264611 JKLHHZJEUUGHSQ-UHFFFAOYSA-N 273.296 1.406 0 50 CDAA COC(=O)C1(CN=c2[nH]ccn3nccc23)CCCCC1 1875272028 MBXCGQYKSUCFKL-UHFFFAOYSA-N 288.351 1.687 0 50 CDAA C=CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1875370025 XZGCMIFUODVQHB-NEPJUHHUSA-N 298.383 1.297 0 50 CDAA N[C@@H](CNC(=O)c1cc2cn[nH]c2cn1)c1ccc(F)cc1 1875347310 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Cc1ncc2c(n1)[C@]1(CCCN(Cc3ncc[nH]3)C1)CC2 1704305447 JJRZNUHRJFOGGR-MRXNPFEDSA-N 283.379 1.988 0 50 CDAA O=C(C1CCCCC1)N(CCO)Cc1ncc[nH]1 1704311121 YVXPBGUEFVPISL-UHFFFAOYSA-N 251.330 1.311 0 50 CDAA Cc1cc(C)n(CC(=O)Nc2cc(C)c(C)nc2O)n1 1875245875 BSNYMPJGRMSRNN-UHFFFAOYSA-N 274.324 1.856 0 50 CDAA N[C@@H]1C[C@@H]2C[C@H](C(=O)NCc3cccc4c3OCC4)C[C@H]21 1615000939 IJAAUOZMNLMJRC-BYNSBNAKSA-N 286.375 1.611 0 50 CDAA O=C(NC1CC2(C1)CC2(F)F)[C@@H]1NCC12CCCC2 1615555085 XWYZUVIEQCOJAF-QUNCOHTASA-N 270.323 1.823 0 50 CDAA O=[N+]([O-])C1=C/C(=C2/C=C([N+](=O)[O-])C=C[N+]2=O)N(O)C=C1 32679272 WXNZXNOYJCKSDV-MDZDMXLPSA-N 279.188 1.044 0 50 CDAA in-vitro Cc1cc(-c2nnc3n2-c2ccccc2OC3)n(C)n1 1775983972 XAYVIIUDZBSSML-UHFFFAOYSA-N 267.292 1.869 0 50 CDAA CN(C)CC[C@H](O)c1ccc2c(c1)OCCCO2 5912598 LXSZCLMWICQPOO-LBPRGKRZSA-N 251.326 1.833 0 50 CDAA CCOc1ccc(Cl)cc1CNCCNC[C@@H](C)O 19370691 KLNGOBWTMLNDJK-LLVKDONJSA-N 286.803 1.799 0 50 CDAA CCOc1ccc(CNCCN2CCOCC2)cc1OC 19871628 NLWKIFCYSCFVKD-UHFFFAOYSA-N 294.395 1.516 0 50 CDAA O=C(O)[C@H]1[C@H]2CCN(c3cc(C4CC4)ncn3)C[C@H]21 1857530257 NHERZMGCXIQHGN-CWSCBRNRSA-N 259.309 1.511 0 50 CDAA CN(C[C@H]1CCN(c2ccccc2)C1)c1n[nH]c(=N)s1 1857681136 ZGLSULVNOXABRD-LLVKDONJSA-N 289.408 1.913 0 50 CDAA Cc1cnc([C@@H](C)NC(=O)c2nsnc2C)[nH]1 1857703200 MQCAGZNJBQUMGG-SSDOTTSWSA-N 251.315 1.369 0 50 CDAA COC(=O)[C@@H]1CCn2c(Cc3ccsc3)nnc2C1 601043958 FPVQUNZJICKAAJ-SNVBAGLBSA-N 277.349 1.666 0 50 CDAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2CC23CCOCC3)C1 237961311 ZYLKRTZPRMLIRX-STQMWFEESA-N 295.379 1.907 0 50 CDAA C[C@@H]1C[C@@H](NC(=O)N2CCOc3cccc(F)c3C2)CO1 335398088 QVRPIUIZAMRFCH-GHMZBOCLSA-N 294.326 1.907 0 50 CDAA CCCc1ccc(OC[C@@H](O)CN2CCOCC2)cc1 19338649 YDDGZHHBYJLSQL-HNNXBMFYSA-N 279.380 1.711 0 50 CDAA CC(=O)N1CC[C@@](C)(c2nc(-c3ccc(C)nc3)no2)C1 363944256 GYFMJQVSADBGBY-OAHLLOKOSA-N 286.335 1.950 0 50 CDAA O=C(Nc1cccc(NC(=O)C2(C(=O)O)CC2)c1)C1CC1 154781781 OYFYIBZHGOUIBZ-UHFFFAOYSA-N 288.303 1.838 0 50 CDAA N[C@H](CNC(=O)[C@H]1CCC[C@@H](N)C1)c1ccccc1 262569266 GBDOBAJGPYINKA-BFHYXJOUSA-N 261.369 1.320 0 50 CDAA Cn1cncc1C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C 585123988 YMBBFXHUOZXZGG-HNNXBMFYSA-N 293.367 1.757 0 50 CDAA Cc1cccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)n1 263077137 YVPREZOQSHQMCR-LBPRGKRZSA-N 292.335 1.247 0 50 CDAA Cc1nonc1C(=O)N1C[C@H](c2ccccc2)OC[C@H]1C 265154946 XVJCAVAVCFSVQS-ZWNOBZJWSA-N 287.319 1.980 0 50 CDAA CCn1nc(C)c(NC(=O)[C@H](C)n2cccn2)c1C 266148196 MVPZYOPIYLRJCO-NSHDSACASA-N 261.329 1.916 0 50 CDAA O=S(=O)(Cc1ccon1)N(C[C@@H]1CCOC1)C1CC1 266177818 FBRDCPWIHKSWDF-JTQLQIEISA-N 286.353 1.005 0 50 CDAA Cc1c(N[C@@H](C)c2cn(C)nn2)cnn1C1CCOCC1 903002842 KBRWTILKMHRODF-JTQLQIEISA-N 290.371 1.845 0 50 CDAA CC(C)[C@H](CN[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1 904217912 WDBIGBLKAPCPJQ-RRFJBIMHSA-N 297.420 1.174 0 50 CDAA COCc1nsc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)O)C[C@@H]32)n1 910385396 KBDKHMVIFJCQAM-UYXSQOIJSA-N 283.353 1.596 0 50 CDAA Cc1ncnc(C)c1C(=O)N1CCC[C@@H]1C1(O)CC1 1772804612 RKDGEJRTJSZSIZ-LLVKDONJSA-N 261.325 1.223 0 50 CDAA OC[C@@H](O)C1CCN(c2ncc(Cl)cc2F)CC1 1772808452 QWJPVFZGTWTWMA-LLVKDONJSA-N 274.723 1.444 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@H](Oc2nccc(=N)[nH]2)C1 1857783614 CQNHRGBHXHNUCX-JTQLQIEISA-N 294.355 1.667 0 50 CDAA C[C@@H](Cn1ccnc1)NC(=O)c1cc2cnccc2[nH]1 1290902105 MTISMJDCEXUQIC-JTQLQIEISA-N 269.308 1.578 0 50 CDAA COc1ccc(OCCC(=O)N2CCOCC2)cc1 621110 PCCIOAPSWKIAIM-UHFFFAOYSA-N 265.309 1.323 0 50 CDAA COC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(F)cc2)C1 229242588 YHSWRBRIOPGHHA-ZWNOBZJWSA-N 267.300 1.761 0 50 CDAA C[C@H]1OCCN[C@@H]1C(=O)N(C)CCc1ccccc1 261974355 QXTXHGWGOWWLLF-OCCSQVGLSA-N 262.353 1.064 0 50 CDAA CCO[C@H]1C[C@@H]1C(=O)NC1CCC(C(=O)O)CC1 262647991 JPILJGDZCCWKPZ-TVUZUIDESA-N 255.314 1.171 0 50 CDAA CSC(C)(C)CNCc1c(Br)nnn1C 308891487 YFHQCPYJQXJRPB-UHFFFAOYSA-N 293.234 1.809 0 50 CDAA COC[C@]1(C(=O)O)CCCN1C(=O)C(C1CC1)C1CC1 692311086 RFFGEPKRVWXOBQ-HNNXBMFYSA-N 281.352 1.515 0 50 CDAA Cc1cc(C)c(C(=O)N2C[C@@H](O)[C@H](F)C2)c(C)c1 952985244 FTYZHJGIWHYRND-VXGBXAGGSA-N 251.301 1.767 0 50 CDAA N[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(CCO)CC1 401107174 GBHGPCPEQHOAFG-ZIAGYGMSSA-N 268.401 1.515 0 50 CDAA O=C(O)[C@H]1C=CCN1S(=O)(=O)c1ccc(C2CC2)cc1 2325765496 YPTZKBWDFNEOJS-CYBMUJFWSA-N 293.344 1.578 0 50 CDAA Cc1cc2c(=O)n(Cc3cc(Cl)n(C)n3)ccn2n1 2325772454 XGPMKOFNLMWSMF-UHFFFAOYSA-N 277.715 1.240 0 50 CDAA CC[C@@H](C)[C@@H](O)CNC(=O)c1nc(C)[nH]c2nccc1-2 2325784855 OOEWAGDBLXHMDO-KCJUWKMLSA-N 276.340 1.355 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)[C@@H]1[C@H]3CC(F)(F)C[C@H]31)C2 2325799747 VTKNXUZJDCYIJC-UCFKJQRDSA-N 299.317 1.989 0 50 CDAA Cc1c(C(=O)N[C@H]2C[C@H](CN)C2(C)C)cnc2ccnn12 2325800147 SBPOOROWKSTYRE-PWSUYJOCSA-N 287.367 1.141 0 50 CDAA COc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1O 123706 JWNFSTNMEBJXKG-OIBJUYFYSA-N 255.295 1.189 0 50 CDAA biogenic Cc1ccccc1C(=O)N1CCN(c2ncccn2)CC1 474001 FOTLLXSTHMRWCE-UHFFFAOYSA-N 282.347 1.747 0 50 CDAA Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 1670309 FQQBKLWSOPUVAC-UHFFFAOYSA-N 292.316 1.768 0 50 CDAA ClC1=c2ccccc2=C2C(Cl)=c3ccccc3=C12 1730089 XESJZQZYKNZSFW-UHFFFAOYSA-N 271.146 1.409 0 50 CDAA CCCNC(=O)CS(=O)(=O)c1ccc(C)cc1 2160060 XPPZZSJYRDBFSR-UHFFFAOYSA-N 255.339 1.295 0 50 CDAA CCc1ccc(CNCCSc2nnnn2C)cc1 2178163 ZLVVKMFQJUSCRQ-UHFFFAOYSA-N 277.397 1.654 0 50 CDAA CC[C@@H](C)NC[C@@H](O)COc1cccc(OC)c1 2451793 DKKSGKTWOPLXOM-VXGBXAGGSA-N 253.342 1.823 0 50 CDAA C[C@@H]1C(=O)N(C2CC2)Cc2nnc(-c3cc(C4CC4)[nH]n3)n21 2356146662 PJASGSNNSOOWGZ-MRVPVSSYSA-N 298.350 1.611 0 50 CDAA Cc1c(C)n(C[C@@H](O)CNCCCO)c2ccccc12 3904539 GDVLDDOMEVYIQI-AWEZNQCLSA-N 276.380 1.591 0 50 CDAA Cc1cc(N2CCCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)ccn1 101853442 XQNQNGLJVYWDDM-FVQHAEBGSA-N 286.423 1.368 0 50 CDAA CCOc1c(CNc2nnnn2CC)cccc1OC 8340125 GDROUFIWUDJOIU-UHFFFAOYSA-N 277.328 1.712 0 50 CDAA c1ccc(-c2ccc(NCCN3CCOCC3)nn2)cc1 20714087 GWGMHVNYPVDVIJ-UHFFFAOYSA-N 284.363 1.888 0 50 CDAA CONC(=O)C(=O)Nc1ccccc1Br 134754892 YSEWRKGKOCKBDL-UHFFFAOYSA-N 273.086 1.065 0 50 CDAA CC[C@@H](CO)N(Cc1cccnc1)C(=O)c1ccc[nH]1 55384407 CPBGIIMJHIQDGA-ZDUSSCGKSA-N 273.336 1.823 0 50 CDAA COC1CCC(C(=O)NC[C@H]2CCCN(C)C2)CC1 67967976 VMNSOKWZKRWGCD-IYXRBSQSSA-N 268.401 1.650 0 50 CDAA Cc1nc(CCC(=O)N2CC[C@@H](CC(C)C)C2)n[nH]1 67754479 JOVPDLXSVIGDDM-LBPRGKRZSA-N 264.373 1.940 0 50 CDAA O=C(O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCCCO3)C1 65463392 WHGDGQPQQSVXSL-NSHDSACASA-N 291.303 1.281 0 50 CDAA CC(C)NC(=O)c1ccc(OC[C@H]2CCCN2)cc1 66323499 YIUPUTILHKMYEB-CYBMUJFWSA-N 262.353 1.956 0 50 CDAA CN1C(=O)NCC12CCN(C[C@H]1CCCCO1)CC2 335118700 KLDDEYMGCTYKOA-GFCCVEGCSA-N 267.373 1.045 0 50 CDAA S=C(S)NCCNCCOc1ccccc1 22228540 RJASBIXUTSLCJR-UHFFFAOYSA-N 256.396 1.459 0 50 CDAA CN(CC1CC1)C[C@H]1CN(Cc2ccc(CO)o2)CCO1 328656203 ZCRMKMQAPNZGMS-INIZCTEOSA-N 294.395 1.315 0 50 CDAA Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(C)CC2)c1 20345420 VNKIGYKSQBQSBT-CQSZACIVSA-N 276.380 1.845 0 50 CDAA O=C(N=c1cc[nH][nH]1)Nc1ccc(Cn2ccnc2)cn1 352756814 GIZSPLUIKGMJMI-UHFFFAOYSA-N 283.295 1.115 0 50 CDAA Cc1[nH]c(=O)[nH]c(=O)c1-c1c(F)cccc1OC(C)C 67769649 CPHOXWOGSXYHOJ-UHFFFAOYSA-N 278.283 1.965 0 50 CDAA CN(C)C1(CNC(=O)c2occ3c2CCC3)CCOCC1 353065197 SAXQMXWJTLYNKG-UHFFFAOYSA-N 292.379 1.609 0 50 CDAA Cc1nnnn1-c1cccc(NC(=O)c2cc[nH]c2)c1 68277169 HPSRLVWAXXBTPC-UHFFFAOYSA-N 268.280 1.551 0 50 CDAA Cc1cccnc1[C@@H](C)NC(=O)CSc1n[nH]c(N)n1 67771642 YXROODLCAWYTHW-MRVPVSSYSA-N 292.368 1.060 0 50 CDAA CCOC(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1 36105472 WEYDVBFMGFQPCV-LLVKDONJSA-N 282.365 1.002 0 50 CDAA CCc1ccccc1-n1c(-c2ccn(C)n2)n[nH]c1=O 65397268 HXSDQKFBJRHJKT-UHFFFAOYSA-N 269.308 1.524 0 50 CDAA COc1ccc(F)c(F)c1CN1CC(N2CCOCC2)C1 215420104 RJLJUPJPQBIRQZ-UHFFFAOYSA-N 298.333 1.490 0 50 CDAA COC(=O)C1(C(=O)NCc2ccnc3ccccc23)CC1 128776405 HMWRFJYQXKTZEF-UHFFFAOYSA-N 284.315 1.804 0 50 CDAA CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CCCCC2=O)cc1 71772664 XDBLUINCRPQNEL-AWEZNQCLSA-N 295.360 1.930 0 50 CDAA CN(CC(=O)O)C(=O)c1cnn(-c2ccccc2)c1C1CC1 153197344 HPDGQQVFUOEXIH-UHFFFAOYSA-N 299.330 1.906 0 50 CDAA O=C(Cc1n[nH]c2ccccc12)NOCc1cccnc1 153274462 HZTLSBGNJZHIFI-UHFFFAOYSA-N 282.303 1.748 0 50 CDAA COc1cc(C)ccc1NC(=O)N1CCOC[C@@H]1CO 241942403 UMGRUYIBTZVMAU-NSHDSACASA-N 280.324 1.229 0 50 CDAA COCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)o1 263070962 UDRUGSYLNVBUGT-XHVZSJERSA-N 293.319 1.751 0 50 CDAA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)Cc1ccccc1 131752195 CLDFDRABCLSAAF-DGCLKSJQSA-N 268.382 1.328 0 50 CDAA Cc1cc(CN(C)C(=O)N[C@@H]2CCc3[nH]ncc3C2)no1 153936689 VFTAOEYUKONFKT-LLVKDONJSA-N 289.339 1.405 0 50 CDAA CS(=O)(=O)N1CC[C@@H](CN2CCCc3occc3C2)C1 367991982 ACQUFOUYTWRINM-LBPRGKRZSA-N 298.408 1.309 0 50 CDAA CCOC(=O)Cc1ccc(S(=O)(=O)CC)cc1 77476410 BPVFNVADDRBUAL-UHFFFAOYSA-N 256.323 1.586 0 50 CDAA O=C(NCCc1nccs1)[C@@H]1CCCc2[nH]ncc21 134069640 SCQNNCXSNALUKY-SECBINFHSA-N 276.365 1.645 0 50 CDAA CCC1=C(C(=O)N2CC[C@H](CC(N)=O)C2)CCCO1 377147430 XHVWWYGBXFLASW-SNVBAGLBSA-N 266.341 1.185 0 50 CDAA O=C(C1CC1)N1CCc2[nH]nc(C(F)(F)F)c2C1 377595912 SLQYLNJONLYUQG-UHFFFAOYSA-N 259.231 1.723 0 50 CDAA CCc1cc(C(=O)N[C@H](C)c2cnn(C)c2)ccn1 219929253 MPHCFIOLFIBWIJ-SNVBAGLBSA-N 258.325 1.869 0 50 CDAA CCC(CC)(CC(=O)O)NC(=O)c1cncnc1 262984994 RNLVGEPZKWHVBW-UHFFFAOYSA-N 251.286 1.240 0 50 CDAA CSCc1cccnc1C(=O)NCCn1ccnc1 289556528 OQSOOYWWJVPRRC-UHFFFAOYSA-N 276.365 1.571 0 50 CDAA COC(=O)[C@@H](C)N1CCC(OC[C@H]2CCCCO2)CC1 177594797 KBZZVAKWIVUAPK-TZMCWYRMSA-N 285.384 1.598 0 50 CDAA O=C(NCCc1cccc(F)c1)N1CCCC[C@@H]1CO 426525970 DSLFTFNEQWOZGK-CQSZACIVSA-N 280.343 1.925 0 50 CDAA CCC[C@@H](NC(=O)c1ccc(N)nc1)c1nccn1C 223266779 ZDRLGMUTNUZAHK-LLVKDONJSA-N 273.340 1.669 0 50 CDAA Cc1nn(-c2ccccc2)cc1C(=O)NC[C@@H]1CCCN1 178759712 BBWMLKMWAPNSSC-ZDUSSCGKSA-N 284.363 1.663 0 50 CDAA CSc1ncccc1C(=O)NCCN1CCCOC1=O 222472967 RQHFXUBOEUBTSH-UHFFFAOYSA-N 295.364 1.376 0 50 CDAA CC(C)c1cc(C(=O)N[C@@H]2CCSC2)n(C)n1 82098758 BWWRMGORVUWOGC-SECBINFHSA-N 253.371 1.779 0 50 CDAA CNC[C@H]1CCN(C(=O)/C=C/c2ccccc2OC)C1 178986354 VIBSDUFTVKOOJD-SBDDDAINSA-N 274.364 1.776 0 50 CDAA Cc1c(Cl)cccc1OCC(=O)N(C)[C@@H]1CCNC1 179115105 UHUNNTTXJXUVLJ-LLVKDONJSA-N 282.771 1.848 0 50 CDAA CC[C@@H](NC(=O)c1cc(=O)cc(C)[nH]1)c1ccnn1C 426496977 OGLXMBHDIQRLHY-LLVKDONJSA-N 274.324 1.298 0 50 CDAA CC(C)CCC(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 220246643 PJEDCWLQBRFXDF-ABIUDSBCSA-N 279.384 1.785 0 50 CDAA Fc1ccc(N2CCC(N[C@H]3CCNC3)CC2)cc1F 426602553 SJNUZBLPMHLWKG-LBPRGKRZSA-N 281.350 1.885 0 50 CDAA Cc1cc(C)n(C2CN(C(=O)[C@]3(C)CCCO3)C2)n1 426484406 GTULSOXIYSOYAQ-AWEZNQCLSA-N 263.341 1.452 0 50 CDAA CCn1nc(CC(C)C)cc1C(=O)N1CCC[C@H]1CO 91756648 LDZRCCRIJHDWBW-ZDUSSCGKSA-N 279.384 1.698 0 50 CDAA Cc1ccc(NC(=O)NCCCN2CCN(C)CC2)cn1 95501587 IWLDDBOTTYZZOK-UHFFFAOYSA-N 291.399 1.149 0 50 CDAA Cc1cccc(=O)n1CCC(=O)NCC(C)(C)CN(C)C 97307718 BACCQMORKQXSRU-UHFFFAOYSA-N 293.411 1.251 0 50 CDAA CN1CC[C@H](N(C)C(=O)c2ccc(-c3ncccn3)cc2)C1 426544528 WEVXXTUTYDGIPL-HNNXBMFYSA-N 296.374 1.920 0 50 CDAA CCc1nnc(Cn2cc(-c3ncc[nH]3)nn2)s1 91425747 VFMQESNUWDALLD-UHFFFAOYSA-N 261.314 1.130 0 50 CDAA O=C(CCc1ccccc1)N1CC(Nc2ncccn2)C1 238819057 CEIUPYFSQNAAKQ-UHFFFAOYSA-N 282.347 1.732 0 50 CDAA O=c1c2oc3ccccc3c2ncn1C[C@@H]1COCCO1 333735304 UUUSCNQFIHRKRI-SNVBAGLBSA-N 286.287 1.558 0 50 CDAA COCc1cc(CNc2ccnc(C(F)(F)F)n2)n[nH]1 92065468 MVSFVJOFZXEODI-UHFFFAOYSA-N 287.245 1.977 0 50 CDAA Cc1nn(C)c2nc(N3C[C@H](O)[C@@H](OC(C)C)C3)sc12 96160677 XEPWCGDVDSMKBT-UWVGGRQHSA-N 296.396 1.313 0 50 CDAA Cc1nc(N)sc1C(=O)N1C[C@@H](N(C)C)[C@H](C(C)C)C1 95501545 XNIJBEPGQHDGAV-WDEREUQCSA-N 296.440 1.692 0 50 CDAA CC[C@H](C(=O)NCc1ncc(C)c(O)c1C)N(C)CC 244734845 NMUVZRZAMLKRLG-CYBMUJFWSA-N 279.384 1.751 0 50 CDAA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cn[nH]c1 252537681 MAJSPSKVDPKQLB-SUZMYJTESA-N 272.308 1.047 0 50 CDAA O=C(NCc1nc(C2CCCCC2)no1)N1CC[C@@H](O)C1 534582461 KUVSXHCRIFUNQZ-LLVKDONJSA-N 294.355 1.394 0 50 CDAA Cc1nnc([C@@H](C)NC(=O)NCCc2ccccc2F)[nH]1 287093650 LENPJYYQTWUEED-SECBINFHSA-N 291.330 1.855 0 50 CDAA Cc1c[nH]ccc1=NCCNC(=O)c1cncc(F)c1 826630288 CZDYAJOMPKIMCK-UHFFFAOYSA-N 274.299 1.188 0 50 CDAA CC1(CN2CCC[C@@H](c3nc[nH]n3)C2)CCOCC1 822307024 WHLCWFSBCNYMDA-GFCCVEGCSA-N 264.373 1.801 0 50 CDAA Cc1cc(CNC(=O)N2CCCC[C@@H]2CN)cnc1C 827267963 HMCMECAGAZIDID-CQSZACIVSA-N 276.384 1.721 0 50 CDAA Cc1nn(C[C@H](C)NCc2nc(O)n[nH]2)c(C)c1Cl 584895195 VSHWVPCBVQLMAB-LURJTMIESA-N 284.751 1.155 0 50 CDAA Cc1noc(C)c1CCCn1cnc2nccnc2c1=O 584903544 KZDMQYQNKLPZRB-UHFFFAOYSA-N 285.307 1.424 0 50 CDAA O=C(O)[C@H]1c2ccccc2CCN1C(=O)Cc1ncc[nH]1 585135137 ZGPWJKSMKCMMQF-CQSZACIVSA-N 285.303 1.163 0 50 CDAA Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@@H](O)C2 828635917 LTPXRSKLIHUZQV-CYBMUJFWSA-N 299.374 1.242 0 50 CDAA CCOCC1CCN(C(=O)c2[nH]nnc2C)CC1 584889669 KETWATGSBAGNKP-UHFFFAOYSA-N 252.318 1.002 0 50 CDAA O=C(NCCN1CCC[C@H](CO)C1)c1ccncc1Cl 584902505 MNEOOOZNAPCHGN-NSHDSACASA-N 297.786 1.169 0 50 CDAA O=C(CN1CCCCCC1)NCCCn1ccccc1=O 670451140 FSCHQBQNQBQOIU-UHFFFAOYSA-N 291.395 1.231 0 50 CDAA Cc1[nH]nc(C(=O)NCc2noc(C3CC3)n2)c1Cl 670456472 FPJIAYIARMZOOZ-UHFFFAOYSA-N 281.703 1.562 0 50 CDAA Nc1nnc(CC(=O)N2CCc3c(Cl)cccc32)s1 1548666979 JLUKGEBPLQIFRF-UHFFFAOYSA-N 294.767 1.906 0 50 CDAA CC(C)(C)OC(=O)NCCOc1ccnc(N)c1 1554713309 JTYOTJZBQLIGGW-UHFFFAOYSA-N 253.302 1.567 0 50 CDAA O=c1cc(NCc2nnnn2C2CC2)c2ccccc2o1 1875299223 DLIOZGDEVMDLAS-UHFFFAOYSA-N 283.291 1.727 0 50 CDAA Cc1nccn1CCNC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C 878555151 QZUFPECCFXWNOK-YGRLFVJLSA-N 287.367 1.397 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@@H]2CC2(C)C)CC1 1875369257 DEKDJNBTZPLAKU-LLVKDONJSA-N 250.342 1.326 0 50 CDAA CC(=O)NCCN(C)C(=O)c1ccc2cccc(O)c2c1 1775993519 DSVFSKIVFQJVFB-UHFFFAOYSA-N 286.331 1.754 0 50 CDAA COc1ccccc1S(=O)(=O)N1CC(c2cc[nH]n2)C1 1775990533 MYLQQPMSAXCCOG-UHFFFAOYSA-N 293.348 1.206 0 50 CDAA CN(CC(N)=O)CC1CC2(CCN2C(=O)OC(C)(C)C)C1 1775990253 KMGXZSQJOQABKL-UHFFFAOYSA-N 297.399 1.193 0 50 CDAA CCn1cc(CN2CCCC[C@@H]2c2nc(C)no2)nn1 899864412 MHIDVCSGSCSRFX-GFCCVEGCSA-N 276.344 1.717 0 50 CDAA CC(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 272841153 ZTSGXACVNXCKDB-UHFFFAOYSA-N 259.284 1.916 0 50 CDAA CC(C)(C)OC(=O)N1CCC2(CC1)CNCc1ncnn12 91303228 NBFUGYLIVVCKDT-UHFFFAOYSA-N 293.371 1.108 0 50 CDAA in-vitro O=S(=O)(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccc(Cl)cc1 1074600652 FLDREIBWDHWYDW-QJPTWQEYSA-N 287.768 1.796 0 50 CDAA CC(C)(C)OC(=O)N1CCCc2c(O)n[nH]c2C1 95698607 WXSKAYBWLLDOBD-UHFFFAOYSA-N 253.302 1.799 0 50 CDAA in-vitro O=C(c1ccc[nH]1)N1CCC[C@@H](c2nnc3n2CCC3)C1 408097000 IEEOMHWRNZYROU-LLVKDONJSA-N 285.351 1.572 0 50 CDAA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CO[C@@H](C)C2)cc1 408488361 NKQVPDAHPLOYBF-QWRGUYRKSA-N 283.349 1.225 0 50 CDAA C[C@H]1CCN(CC(=O)N[C@@H]2CCOC(C)(C)C2)C1 408517998 RJLUFBWQISIMIP-NWDGAFQWSA-N 254.374 1.402 0 50 CDAA Cn1nnc2cc(C(=O)N[C@H]3CCC[C@H]3CCO)ccc21 170085810 XFHMRSDDPSPUHQ-JQWIXIFHSA-N 288.351 1.249 0 50 CDAA O=C(Nc1cccc(NC(=O)C2CC2)c1)N[C@H]1CCNC1 414802787 VXPXZLTTWNHGDH-ZDUSSCGKSA-N 288.351 1.519 0 50 CDAA COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)c(F)c1 170611175 MWHALCVZJFFVLK-UHFFFAOYSA-N 299.327 1.975 0 50 CDAA CC[C@H](OC1CCCCC1)C(=O)NCc1nnc(N)o1 170601731 FLMVFVKNXIWEBE-JTQLQIEISA-N 282.344 1.396 0 50 CDAA CN(C)S(=O)(=O)c1ccccc1CNCC1(C)COC1 279568859 YLEGKCZEVCJPQQ-UHFFFAOYSA-N 298.408 1.063 0 50 CDAA CC[C@@H]1OCCC[C@H]1C(=O)N1CCCc2n[nH]cc21 280021228 DKSGSVIVMBGYBI-MFKMUULPSA-N 263.341 1.894 0 50 CDAA CC1=CCCN(c2ncccc2S(=O)(=O)NC(C)C)C1 280800522 RXAQQFKTHNTHLN-UHFFFAOYSA-N 295.408 1.925 0 50 CDAA CCOC(=O)c1ccc(CNc2nncs2)o1 187888801 OHGMMLDJDFAQME-UHFFFAOYSA-N 253.283 1.920 0 50 CDAA CC(=O)CN1CCCNC(=O)[C@@H]1Cc1ccccc1 639655095 ISLCSYSGOQFNBS-AWEZNQCLSA-N 260.337 1.009 0 50 CDAA CCn1cc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cn1 190146427 VQQKAGSQYUHJDO-CHWSQXEVSA-N 291.355 1.556 0 50 CDAA COCCn1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)n1 190985949 WNYULFKNIQECIN-MNOVXSKESA-N 267.329 1.283 0 50 CDAA Cc1cc(CC(=O)N2C[C@@H](C(=O)O)c3ccccc32)no1 192940975 NPVHMXLSDLZHKD-GFCCVEGCSA-N 286.287 1.741 0 50 CDAA CC(C)[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)O)cc1F 652409447 BMDAISDFBRHWQA-CYBMUJFWSA-N 294.326 1.480 0 50 CDAA NCCc1cc(=O)[nH]c(Cc2cc(F)cc(F)c2)n1 23543252 UOIBDLOPACFDKW-UHFFFAOYSA-N 265.263 1.140 0 50 CDAA O=C(CCc1cccnc1)N1CC[C@@H](n2cccn2)C1 574806130 PUGLMBZZNGBADM-CQSZACIVSA-N 270.336 1.684 0 50 CDAA Cc1ccccc1[C@H](C(=O)O)N(C)Cc1cnn(C)c1 575130253 QXJUGYHFVIFQFB-CQSZACIVSA-N 273.336 1.986 0 50 CDAA Cc1cc(NC(=O)N2CCCO[C@H](C)C2)c(N(C)C)nn1 667488916 XRJDUDKWKSMGIW-LLVKDONJSA-N 293.371 1.494 0 50 CDAA O=C(COC[C@H]1CCCO1)N1CCc2nc(F)ccc21 585122523 UEWXXWYSFNFDJX-SNVBAGLBSA-N 280.299 1.305 0 50 CDAA CC(C)(C)N1CC[C@H]1C(=O)NC1(CO)CCSCC1 585120798 LTRSAISANGHLAB-NSHDSACASA-N 286.441 1.234 0 50 CDAA Cc1ccc(C(=O)O)c(NC[C@H]2CC(=O)N(C3CC3)C2)n1 1506421600 RJHYKELVICHSQC-SNVBAGLBSA-N 289.335 1.511 0 50 CDAA O=C(CN[C@H]1CCN(c2ccccc2)C1)N1CCCC1 1506412405 CHFSUONZDAKPIB-AWEZNQCLSA-N 273.380 1.477 0 50 CDAA CCC[C@]1(CO)CN(Cc2cccnc2OC)CC[C@H]1O 1529189896 BLRPLNMZINSJKF-GDBMZVCRSA-N 294.395 1.436 0 50 CDAA CCOCCC(=O)N1C[C@@H](Cc2cc(C)no2)[C@@H](OC)C1 1704350745 QLUXMMIFOBEXLS-OCCSQVGLSA-N 296.367 1.426 0 50 CDAA CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](O)C1(C)C 408376699 TYOYOWJZHNMTNU-IJLUTSLNSA-N 254.374 1.136 0 50 CDAA CCOCC(=O)N1C[C@H](c2ccc(C)cc2)[C@@H](N(C)C)C1 221991099 ZMECVOMENIHBMW-CVEARBPZSA-N 290.407 1.888 0 50 CDAA COC(=O)CCCC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 225332788 HZWQHZOYVWXBQQ-STQMWFEESA-N 282.384 1.272 0 50 CDAA Nc1ncnc2cc(C(=O)N3CC4(CC4)C3)ccc12 1614648106 RWODYFCJUNMKAV-UHFFFAOYSA-N 254.293 1.448 0 50 CDAA CO[C@@](C)(C(=O)O)C(=O)Nc1cccc(Cl)c1 656846493 KUOQPZZSMKHSGS-LLVKDONJSA-N 257.673 1.768 0 50 CDAA CC1(C)CN(C(=O)C[C@@](C)(O)C2CC2)CCCO1 372309244 VKKSKKOXAHMJOI-CQSZACIVSA-N 255.358 1.565 0 50 CDAA Cn1c(=O)nc(O)c2ccc(-c3ccccc3O)nc21 1848443018 RWBGUHKZWCLBDM-UHFFFAOYSA-N 269.260 1.407 0 50 CDAA c1cnc([C@@H]2CCN(c3cc(-n4ccnc4)ncn3)C2)cn1 1643226221 RFEURECQVLGEIG-GFCCVEGCSA-N 293.334 1.446 0 50 CDAA O=C(NC1CC1)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 11816570 UZFJVWLJLXEEPP-GFCCVEGCSA-N 290.338 1.843 0 50 CDAA Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)O 11851248 BJBILUVLLDIVBX-UHFFFAOYSA-N 298.345 1.951 0 50 CDAA CC[C@H](C(=O)N(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13712969 ADYZBWGYFXTPCQ-CYBMUJFWSA-N 298.408 1.628 0 50 CDAA CCN(CC)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 15932436 PZLXMZMDSBMWOL-UHFFFAOYSA-N 296.415 1.672 0 50 CDAA Cc1n[nH]c(SCc2nnnn2-c2ccc(F)cc2)n1 16624046 QUQROUHKYXLXOB-UHFFFAOYSA-N 291.315 1.520 0 50 CDAA Cc1ccc(-n2cc(CN3C[C@@H]4C[C@H]3C(=O)N4)cn2)cc1C 1857669886 ARTQERYALLSLHH-HOCLYGCPSA-N 296.374 1.562 0 50 CDAA C[C@H](c1ncnn1C)n1ccnc1-c1nccs1 1875243718 UKZOUGZQTPJFFP-MRVPVSSYSA-N 260.326 1.744 0 50 CDAA O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 793685 AYMBVSQNDBSFNW-LBPRGKRZSA-N 271.272 1.931 0 50 CDAA in-vitro c1cnc2ccc(-c3nnc(N4CCNCC4)[nH]3)cc2c1 227274347 FCFJAIYVUKUNMX-UHFFFAOYSA-N 280.335 1.430 0 50 CDAA C[C@H]1C[C@@H](C(=O)NCc2nnc(O)n2C)CC(C)(C)C1 585130059 GPLGHKVFYMOXHW-VHSXEESVSA-N 280.372 1.599 0 50 CDAA CNc1ccccc1CN[C@H]1CCc2c(nnn2C)C1 902615584 FTGAKNYARGHXLQ-LBPRGKRZSA-N 271.368 1.504 0 50 CDAA CCCc1nc(C)cc(N2C[C@H]3COC[C@@H](C2)CN3C)n1 1704312632 GSLQOOIJBKLNBA-KGLIPLIRSA-N 290.411 1.504 0 50 CDAA C=CC(=O)N1CCN(c2ncnc3sccc23)CC1 848978960 DUCUKDVFYXLXJI-UHFFFAOYSA-N 274.349 1.526 0 50 CDAA Cn1nncc1NC(=O)N[C@H]1CCCc2ccccc2C1 931275486 QWAMWLBSGIDPKY-ZDUSSCGKSA-N 285.351 1.884 0 50 CDAA C=CC(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1 834395177 YHMCRSNQSHQSSZ-JTQLQIEISA-N 278.283 1.630 0 50 CDAA CCOc1ccccc1CCC(=O)N1CCNC[C@H]1C 124945763 ATTCKOZQHBUHQE-CYBMUJFWSA-N 276.380 1.838 0 50 CDAA CO[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 154280573 RUIVMNUILOZVJK-KBPBESRZSA-N 262.353 1.194 0 50 CDAA CC(C)(C)n1cc(CN2CC[C@]3(CNC(=O)C3)C2)cn1 279492841 UZPMJWUSMOVRGV-HNNXBMFYSA-N 276.384 1.350 0 50 CDAA CCN(Cc1cccc(C)n1)Cc1nc(COC)no1 55280844 NKQXCTXXWCCZDM-UHFFFAOYSA-N 276.340 1.942 0 50 CDAA O=C(c1ccc(O)cc1F)N1CCC[C@H](OCCO)C1 188097849 FXBAQSKXXYYKGP-NSHDSACASA-N 283.299 1.145 0 50 CDAA CC(C)n1cnnc1CN1CC[C@@H](O)CC(C)(C)C1 670466139 MVQPKRZDQXEVSG-GFCCVEGCSA-N 266.389 1.842 0 50 CDAA Cn1cc(Cl)c(CNc2ccc(CO)cn2)n1 686075805 FXXZIOXSEDWCAC-UHFFFAOYSA-N 252.705 1.573 0 50 CDAA CN(C[C@@H]1CCOC1)C(=O)[C@@H]1CCc2ccccc2N1 398907403 GNYDEHZFFBPQBJ-WFASDCNBSA-N 274.364 1.908 0 50 CDAA O[C@@H]1CCN(c2ncnc3[nH]ccc23)CC12CCOCC2 2325780789 PFUIAMCLFXCGKB-GFCCVEGCSA-N 288.351 1.326 0 50 CDAA C=CC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)OC)nn1 2325885776 PVCUAHWKJJGZMU-LLVKDONJSA-N 292.339 1.022 0 50 CDAA CC(=O)NC1CCC(N[C@@H]2CCCCC[C@H]2CO)CC1 133577281 MNECSVLOXBVPKF-SLTXQBBLSA-N 282.428 1.965 0 50 CDAA COc1ccc(CN2CCC(O)CC2)c(OC)c1 42941 PSQWLTDDOBMKGG-UHFFFAOYSA-N 251.326 1.661 0 50 CDAA Cc1cc(C)n(C(=O)[C@@H]2COc3ccccc3O2)n1 113810 ZLIKDZGZWFHVTO-ZDUSSCGKSA-N 258.277 1.980 0 50 CDAA CCc1cc(Br)ccc1-[n+]1cc(=O)o[nH]1 390432 QJCIUTQAQUSZBW-UHFFFAOYSA-O 270.106 1.570 0 50 CDAA Cc1nonc1CNC(=O)c1nc2ccccn2c1C 1149277593 VLRSUZFCRWMBJU-UHFFFAOYSA-N 271.280 1.264 0 50 CDAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)NC1=NCCS1 2750644 NZIIWCFBUMGBRS-YUMQZZPRSA-N 256.327 1.096 0 50 CDAA CCOC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 4425831 NPXFWULBRYXNLT-SNVBAGLBSA-N 277.276 1.301 0 50 CDAA COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@@]3(C)O2)cc1 100173629 XKDPZNKAGZVZDJ-BQGCOEIASA-N 299.326 1.918 0 50 CDAA COC(=O)Cc1cc(O)n(-c2nc3ccccc3s2)n1 100125504 YPKXMSZQYRTVNO-UHFFFAOYSA-N 289.316 1.903 0 50 CDAA C=CC(=O)N1CCOC[C@H]1c1noc(C(C)C)n1 863971326 OYGPRZRPBXXOSZ-VIFPVBQESA-N 251.286 1.279 0 50 CDAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)[C@@H]1CCCO1 32511622 QHNSIYADVJUCTG-CABCVRRESA-N 285.347 1.920 0 50 CDAA COC(=O)[C@@H]1COC(C)(C)N1C(=O)OCc1ccccc1 34215629 NOPUZHXGIBFGAH-LBPRGKRZSA-N 293.319 1.933 0 50 CDAA Cc1ccc(C2(O)CCN(C(=O)c3cnccn3)CC2)nc1 67843387 RXIDKDIPLOCHCP-UHFFFAOYSA-N 298.346 1.304 0 50 CDAA Cc1ccc(-c2ccc(Cl)nn2)cc1S(N)(=O)=O 20154816 MRWDNQMKZQGWIE-UHFFFAOYSA-N 283.740 1.753 0 50 CDAA O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccncc1F 330295785 FVVQGFDXIHMPQO-YPMHNXCESA-N 292.310 1.431 0 50 CDAA Cc1cc(C)nc(N2CC(n3nc(C)cc3C)C2)n1 65370145 SCYKNLWIIUWNGD-UHFFFAOYSA-N 257.341 1.968 0 50 CDAA O=C(CCc1cccc2c1OCO2)N1C[C@@H](F)C[C@H]1CO 331582810 SXEJEDUCFCGLOM-RYUDHWBXSA-N 295.310 1.279 0 50 CDAA Cc1ccc2occ([C@@H]3N[C@H](C(=O)O)CS3)c(=O)c2c1 32535 CCXCKWUAHXLOMS-GXFFZTMASA-N 291.328 1.890 0 50 CDAA O=C(N[C@@H]1CC[S@](=O)C1)N[C@@H]1CCCc2sccc21 332917031 XDLBNLZUPDOKAU-UYKLKCEZSA-N 298.433 1.946 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2ccccc21 252424174 FQKNKQGXZZVXGO-UPJWGTAASA-N 259.305 1.901 0 50 CDAA COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@@H](N)C1 237252989 NKBCRLFLJHWSBE-ROLFPQFPSA-N 280.755 1.921 0 50 CDAA COCCN1CC[C@H](CN(C)Cc2cc(C)no2)C1 216377885 ZEVGWOZNENZGJA-CYBMUJFWSA-N 267.373 1.383 0 50 CDAA C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)O 237542345 AAMVTVMNZZSIAN-JSGCOSHPSA-N 290.363 1.488 0 50 CDAA O=C(O)C1CCN(C(=O)c2cc(F)cc3[nH]cnc23)CC1 238031810 GUONPHHRQMMZBS-UHFFFAOYSA-N 291.282 1.639 0 50 CDAA O=C(CCc1cc(O)no1)N1C[C@H]2CC=CC[C@H]2C1 71752260 NPITVAZCIDDTQA-PHIMTYICSA-N 262.309 1.737 0 50 CDAA CC[C@H]1CN2CCC[C@@H]2CN1CCCN1CCOCC1 175037642 WGQBRMVSMXMOIC-JKSUJKDBSA-N 281.444 1.267 0 50 CDAA COc1ccc(C(=O)N2CC[C@@H](c3n[nH]cc3N)C2)cn1 864377186 JSJNJIJYLZTNNW-SNVBAGLBSA-N 287.323 1.025 0 50 CDAA COCCNC(=O)c1cccc(Oc2ncccn2)c1 72437066 SAYWAZXKSOTNDH-UHFFFAOYSA-N 273.292 1.645 0 50 CDAA O=S1(=O)CC[C@H](CNc2ccc3cc[nH]c3n2)C1 72410054 FTBHUPLQNDFGAY-SECBINFHSA-N 265.338 1.410 0 50 CDAA c1nc(N2CC[C@@H](n3cncn3)C2)c2cc[nH]c2n1 375321689 XAFNVRMYELKWLB-SECBINFHSA-N 255.285 1.001 0 50 CDAA CCc1nc(CCNC(=O)[C@H]2C[C@@H]2C(=O)O)cs1 262570313 CJPSBXGQRKAAAH-IUCAKERBSA-N 268.338 1.085 0 50 CDAA O=C([C@H]1CCCc2[nH]ncc21)N1CC(O)(c2ccccc2)C1 288287442 QLHHSCVNHFNJKM-ZDUSSCGKSA-N 297.358 1.560 0 50 CDAA CC(C)(N)c1cn(C2CCN(C(=O)CC3CC3)CC2)nn1 48159159 JBUNPVQWNADFNP-UHFFFAOYSA-N 291.399 1.436 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 178270311 FFAZFUSMNCXJPS-GFCCVEGCSA-N 285.303 1.419 0 50 CDAA O=C(NCCc1cn[nH]c1)N1CCC(F)(F)CC1 426429682 ATKJVNLBVMBCMM-UHFFFAOYSA-N 258.272 1.393 0 50 CDAA Cc1cccc(-c2cnc3c(C(N)=O)cnn3c2)c1 426370317 XGRQHPYWROJBDA-UHFFFAOYSA-N 252.277 1.804 0 50 CDAA CCn1c(C)ccc(C(=O)NCc2[nH]cnc2C)c1=O 426727415 JTDVKQBCKLRKIG-UHFFFAOYSA-N 274.324 1.138 0 50 CDAA c1cc2cn[nH]c2cc1CN1CC[C@@H](N2CCOCC2)C1 179844760 YVHDUKAIKBKXHH-OAHLLOKOSA-N 286.379 1.469 0 50 CDAA CCc1nccn1CCNC(=O)[C@H]1COc2ccccc2C1 91551342 GCDRNNMCCGSZDL-CQSZACIVSA-N 299.374 1.813 0 50 CDAA CN(C)c1nccnc1N1CCC[C@](CO)(CC2CC2)C1 91817930 PXTQEICXUBUMJT-INIZCTEOSA-N 290.411 1.922 0 50 CDAA Cn1nccc1CCNC(=O)[C@H]1COc2ccccc2C1 91769554 HXUCOYSZEJZGOK-CYBMUJFWSA-N 285.347 1.330 0 50 CDAA CSCC[C@H](NC(=O)c1c(O)cccc1F)C(=O)O 235052883 COXWGDXPKMNCBU-QMMMGPOBSA-N 287.312 1.467 0 50 CDAA CSCCCNC(=O)c1cnc2cccc(C)n2c1=O 97775554 REDCXFNXCHCPAE-UHFFFAOYSA-N 291.376 1.486 0 50 CDAA CCc1cc(C(=O)N2C[C@H](C(C)C)[C@@H](N)C2)ccn1 91746276 YTALCZXATMOVPW-KGLIPLIRSA-N 261.369 1.699 0 50 CDAA Cc1nc(N)nc(NC[C@H](O)CN2CCCCCC2)c1C 91574217 XAQWDEOGYCATMS-ZDUSSCGKSA-N 293.415 1.324 0 50 CDAA COCC1(C(=O)N2CCN(c3cccc(O)c3)CC2)CC1 97759362 FWZLBXLNLNUCCU-UHFFFAOYSA-N 290.363 1.467 0 50 CDAA COc1ccccc1-n1nc(C)nc1-c1cccn(C)c1=O 96136376 CNCFUUGREWQDGW-UHFFFAOYSA-N 296.330 1.950 0 50 CDAA CC(C)n1ccc(C(=O)N2CC(OC(F)F)C2)n1 437555525 GYXWUOHXMXMETI-UHFFFAOYSA-N 259.256 1.528 0 50 CDAA C[C@@]1(C(Cl)(Cl)Cl)[C@@H]2O[C@@H]2C(=O)[C@H]2O[C@@H]21 254292185 OUEPOVKTGJITIL-BNWJMWRWSA-N 257.500 1.480 0 50 CDAA CN(CC[C@H]1CCCCO1)CCn1cc[nH]c1=O 252493442 NBZZVXGUHOJEBS-GFCCVEGCSA-N 253.346 1.067 0 50 CDAA CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccco2)[nH]n1 252492327 MJANRRNTRCPJSN-LLVKDONJSA-N 263.297 1.416 0 50 CDAA CCN1C(=O)N[C@H](c2cccs2)C2=C1COC2=O 263616306 IABAFYWYHIQCAD-SNVBAGLBSA-N 264.306 1.645 0 50 CDAA CCC[C@H](NC(C)=O)C(=O)NCC1(CN2CCCC2)CC1 534588843 VBSDHSBJNLARGY-AWEZNQCLSA-N 295.427 1.283 0 50 CDAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(=O)O)c2ccc(F)cc2O1 268954913 TWMFLCRIUJPXOW-JEZHCXPESA-N 279.267 1.660 0 50 CDAA CCn1nc(C)c([C@H](C)NC(=O)c2nccnc2O)c1C 299759662 PXIWOVSGIVHPBN-QMMMGPOBSA-N 289.339 1.506 0 50 CDAA O=C(NC[C@@]1(O)CCNC1)Nc1ccc2ccccc2c1 299779881 OGQRXNLELKUJQK-MRXNPFEDSA-N 285.347 1.686 0 50 CDAA Cc1cccnc1C[C@@H](C)NC(=O)c1cn(C)c(C)cc1=O 299789800 AISBPJPAFMBQPQ-GFCCVEGCSA-N 299.374 1.758 0 50 CDAA Cc1cccc(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c1 659778647 PROAUHIXXXJOGT-CZUORRHYSA-N 289.331 1.097 0 50 CDAA CN(Cc1noc(C2CC2)n1)c1ncccc1C(N)=O 823743833 WAILRLFFXCNPQF-UHFFFAOYSA-N 273.296 1.077 0 50 CDAA CCS(=O)(=O)NCCc1nc2ccc(OC)cc2[nH]1 824757774 FWNQZELAKUHQFH-UHFFFAOYSA-N 283.353 1.053 0 50 CDAA COc1cccc2c(=O)n(Cc3cnn(C)c3C)cnc12 584901694 CYSSLEXEKYRJJE-UHFFFAOYSA-N 284.319 1.495 0 50 CDAA Cc1cc(C(=O)NCCc2nc(C3CC3)no2)c(O)cn1 584888651 RRZKRALGCPDXJC-UHFFFAOYSA-N 288.307 1.329 0 50 CDAA C=C=CCNC(=O)Nc1cccc(OCC(=O)N(C)C)c1 585136227 WWLQWIYTGAUOBM-UHFFFAOYSA-N 289.335 1.616 0 50 CDAA Cc1cc(C[C@@H](C)n2cnc3cccnc3c2=O)n[nH]1 584895342 NMFNFOLWXKQPPI-SNVBAGLBSA-N 269.308 1.627 0 50 CDAA O=C1CN([C@H]2CCSC2)CCN1c1ccccc1 670468535 HFBLYRYQWYAFSL-ZDUSSCGKSA-N 262.378 1.841 0 50 CDAA CN(C)c1noc(CCc2nc(-c3ccoc3)no2)n1 269266029 DGXVQXRHEJIJBG-UHFFFAOYSA-N 275.268 1.564 0 50 CDAA O=C(O)[C@@H]1CCN(C(=O)c2ccnn2CC2CCC2)C1 630155329 HLMZENKXXSDTCE-LLVKDONJSA-N 277.324 1.230 0 50 CDAA N[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1F 66351340 SYVUWEZGXXHYPH-NWDGAFQWSA-N 252.289 1.694 0 50 CDAA in-vitro Cc1noc(C)c1CCCNC(=O)CCc1cn[nH]c1 863894159 BIQIILLGZSTAGM-UHFFFAOYSA-N 276.340 1.696 0 50 CDAA C[C@H]1C[C@H]1C(=O)NS(=O)(=O)c1ccc(Cl)c(N)c1 1875290947 JMUSLQUWSZGXLJ-POYBYMJQSA-N 288.756 1.383 0 50 CDAA Cc1cccc(N2CCN(C(=O)c3cn(C)cn3)[C@H](C)C2)n1 1875253613 AOOOEQUXRSKVRI-CYBMUJFWSA-N 299.378 1.474 0 50 CDAA OC[C@]1(NCc2ccc(F)cc2F)CCSC1 1875290816 DRLRCIIGHZMWMQ-GFCCVEGCSA-N 259.321 1.922 0 50 CDAA Cn1cc(C(=O)NCc2nn[nH]n2)c2cc(Cl)ccc21 1875345006 RZBZGOLJOMYLQN-UHFFFAOYSA-N 290.714 1.275 0 50 CDAA CN(C)C/C=C/C(=O)NC[C@@]1(CF)CC12CCOCC2 1875376547 ANNFUEMJHHWUPJ-BWPKMQGJSA-N 284.375 1.377 0 50 CDAA CN(C)C/C=C/C(=O)NCCc1cn(C)c2ncccc12 1875376789 IQUISTXKCDQXFL-FNORWQNLSA-N 286.379 1.350 0 50 CDAA C[C@]1(C(=O)N[C@H](c2nn[nH]n2)C2CCCCC2)CC1(F)F 1875324094 HIAMLBIDOKNFIX-JOYOIKCWSA-N 299.325 1.983 0 50 CDAA CC1(C)[C@@H](C(=O)N[C@@H]2CCOC2)CC[C@@]1(C)C(=O)O 1875340919 ZFBAHZORXJJHDZ-RULNRJAQSA-N 269.341 1.419 0 50 CDAA CCO[C@@H]1C[C@@](CO)(NCc2nn(C)cc2C)C1(C)C 877871577 SEDAGQCHAUSKJI-HIFRSBDPSA-N 281.400 1.384 0 50 CDAA CSCC(=O)N1CCC[C@@H](CNC(=O)C2CCCC2)C1 952987361 KKRPGLYVWKYWDW-LBPRGKRZSA-N 298.452 1.894 0 50 CDAA COc1ccc(N[C@H]2CCC[S@](=O)CC2)cn1 888095657 PNACJBXJLKKDQC-BTDLBPIBSA-N 254.355 1.803 0 50 CDAA O=C(N[C@H]1CC[C@@H](OC(F)F)C1)c1ccn2nnnc2c1 888093016 XZYIILMBKKYZAN-DTWKUNHWSA-N 297.265 1.014 0 50 CDAA Cn1cccc1C(=O)NC1(c2ncccn2)CCOCC1 886936120 KNSPHHBPXBHNRG-UHFFFAOYSA-N 286.335 1.251 0 50 CDAA Cc1[nH]ncc1C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 246137391 JVTCCZODVZCLJP-WCQGTBRESA-N 277.324 1.576 0 50 CDAA CN(CCS(C)(=O)=O)Cc1nccc2c1CCCC2 891631901 ZZQRGKBHUDHVOW-UHFFFAOYSA-N 282.409 1.437 0 50 CDAA NC(=O)[C@@H](O)C1CCN([C@@H]2CCCc3ccccc32)CC1 1775959023 AMFMYORXSQULQY-CVEARBPZSA-N 288.391 1.622 0 50 CDAA Cc1c[nH]c(CN2C[C@H](C)[C@@](O)(C3CCC3)C2)c(C)c1=O 1565528896 DGTOQEFXHRNWBU-YVEFUNNKSA-N 290.407 1.975 0 50 CDAA CCc1cc(N)nc(SC[C@@H](C)CN2CCOCC2)n1 1363184049 GFAGZZNXHOVSRR-NSHDSACASA-N 296.440 1.682 0 50 CDAA CC(C)(C)OC(=O)N1C[C@]23CCC[C@@]2(CNC3)C1 1535645317 VMFBCHWNAJRTTR-ZIAGYGMSSA-N 252.358 1.997 0 50 CDAA CC1(C)C[C@@]1(C(=O)O)C(=O)N[C@H]1CCCn2nccc21 630999953 JRDMHAZZRAVDNM-XPTSAGLGSA-N 277.324 1.335 0 50 CDAA Cc1cccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c1O 168577207 MQTRYDMHHVHGIB-NSHDSACASA-N 274.320 1.147 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1Nc1ncc(F)cn1 275648268 UDMWKLZVVCUATB-QWRGUYRKSA-N 277.303 1.774 0 50 CDAA CCO[C@H]1C[C@](CO)(NCc2ncc[nH]2)C1(C)C 186583623 XJKFTNOEEXPJMY-GXFFZTMASA-N 253.346 1.065 0 50 CDAA O=C(CNc1ncccc1Cl)N1CCOCC1 170592008 BHXUFJIQQAQVPB-UHFFFAOYSA-N 255.705 1.006 0 50 CDAA Cc1cc(C(=O)NCC(=O)N2CCOCC2)ccc1Cl 170592044 ATVXVRIYEWAVBY-UHFFFAOYSA-N 296.754 1.237 0 50 CDAA CCc1ccccc1S(=O)(=O)N(C)c1ncccn1 170618551 YXGFSTDBBXDVIZ-UHFFFAOYSA-N 277.349 1.864 0 50 CDAA CO[C@H]1CN[C@@H](C(=O)N(C)Cc2cc(C)ccc2C)C1 517229896 HQJIHYQIMGMKTR-HUUCEWRRSA-N 276.380 1.639 0 50 CDAA CNC(=O)[C@@H]1CCCCN1C(=O)CCCc1ccccn1 171453912 VWINKVVBANXTGE-AWEZNQCLSA-N 289.379 1.531 0 50 CDAA Nc1ccnc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)n1 281501511 AVTSXBBKSKOTLO-OLZOCXBDSA-N 288.326 1.506 0 50 CDAA CC[C@@H](NC(=O)c1cc(C2CC2)no1)[C@@H](O)C(F)(F)F 281987405 PGTHELCZRMTZDW-GMSGAONNSA-N 292.257 1.984 0 50 CDAA C[C@H](NC(=O)N1CC2(CCCO2)C1)c1nccn1C 637289590 MMCOYYAXDKVJOL-JTQLQIEISA-N 264.329 1.056 0 50 CDAA CCN(CC)C(=O)[C@H](C)[S@@](=O)c1ccoc1C 189655695 LRHDSPYOCIZASW-DYZYQPBXSA-N 257.355 1.953 0 50 CDAA CC(=O)N1CC(C(=O)Nc2ccc3[nH]c(C)cc3c2)C1 191730941 NUJWFVWHQOPEPC-UHFFFAOYSA-N 271.320 1.893 0 50 CDAA CCO[C@@H]1C[C@@H](N(C)Cc2nnn(C)n2)C12CCCCC2 192985740 ULVLLCGIXCFXTP-CHWSQXEVSA-N 293.415 1.770 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2nc(C(=O)O)co2)C1 757068386 VWTHGWMDNMMGJX-UHFFFAOYSA-N 268.269 1.707 0 50 CDAA CC(C)n1ncnc1CNC(=O)c1cccc(C(=O)O)c1 571088133 MEOLVMFHDDYUHV-UHFFFAOYSA-N 288.307 1.487 0 50 CDAA CCO[C@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)O)n1 659204611 SRDKLQUGHNOHAG-MRVPVSSYSA-N 269.301 1.066 0 50 CDAA Cc1c(F)cccc1C(=O)N[C@@H](C(=O)O)C1CCOCC1 668304985 AZBCMPFYUQKDHW-CYBMUJFWSA-N 295.310 1.744 0 50 CDAA CCc1nnc(N2CC[C@@H](c3nc(C)no3)C2)nc1CC 583617624 PXPVRKRACKTGDU-SNVBAGLBSA-N 288.355 1.682 0 50 CDAA Cn1cccc1C(=O)N1CCc2cc(Cl)nnc2C1 585089648 AGPIOHJIDPYWMC-UHFFFAOYSA-N 276.727 1.667 0 50 CDAA C[C@]1(CO)C[C@@H](O)CN1C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585128376 ZQMGLUZDEZGQDN-XOBFJNJYSA-N 267.369 1.157 0 50 CDAA Cc1cc(C(=O)NCCc2cnoc2)c2c(C)noc2n1 585130928 GELGLZCSJKEERH-UHFFFAOYSA-N 286.291 1.800 0 50 CDAA CN(CC[C@@H]1CCCCO1)C(=O)CCc1ccnn1C 1506421810 LVEXVRBGIPTEKJ-AWEZNQCLSA-N 279.384 1.770 0 50 CDAA CC[C@@H](NC(=O)CCc1cn[nH]c1)c1cn2cccnc2n1 1506431306 HUUIJUNYAJXRBS-GFCCVEGCSA-N 298.350 1.653 0 50 CDAA Cc1cnc(C)c(N2CCOC[C@H](CN(C)C)C2)n1 1506419040 MKCGDUKKQDTXIT-CYBMUJFWSA-N 264.373 1.108 0 50 CDAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ncoc3C)C[C@@H]21 1704299929 OMHKUQGYKAVDJQ-TYNCELHUSA-N 278.352 1.996 0 50 CDAA CCOc1cccc(CC(=O)N2C[C@H]3CCC[C@]3(N)C2)n1 1615544579 CBFLYEDEDOZHJL-WBMJQRKESA-N 289.379 1.363 0 50 CDAA C[C@@H](NC(=O)Cn1nccc1N)[C@@H]1C[C@H]2CC[C@H]1C2 1616037093 BRLMUHCQIWIMIW-RHYQMDGZSA-N 262.357 1.406 0 50 CDAA CC1(C)CN(C(=O)[C@@H]2CCCNCC2)C(C)(C)CO1 653091726 FOQCCVXRQCBZCV-GFCCVEGCSA-N 268.401 1.792 0 50 CDAA CC(C)N1C[C@H](CN(C)CCC(C)(C)O)CCC1=O 1775981319 KAASIHJSEZEJCZ-ZDUSSCGKSA-N 270.417 1.726 0 50 CDAA CC(=O)c1cc(N)ccc1OC[C@H](O)CNC(C)C 5138354 DBUJVRULIBQHKT-GFCCVEGCSA-N 266.341 1.209 0 50 CDAA in-vitro CC(C)N(CCO)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 12466337 AHGMGQQJFJJBRV-ZDUSSCGKSA-N 296.411 1.397 0 50 CDAA O=C(Cc1ccccc1F)NCCN1CCCCC1 16603498 XTDIYUWVUVLQNA-UHFFFAOYSA-N 264.344 1.970 0 50 CDAA CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)c1 169683039 IHYOLVRNCLHVSL-VWPFQQQWSA-N 297.310 1.722 0 50 CDAA CCCc1nc(N2CCSCC2)ncc1C(=O)O 169751164 MASAECGCHIJQOB-UHFFFAOYSA-N 267.354 1.681 0 50 CDAA C[C@]1(NC(=O)c2ccc(C(=O)O)s2)CCOC1 164865261 AZFGYZYBWFOBED-NSHDSACASA-N 255.295 1.355 0 50 CDAA CC(C)c1ccnc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)n1 1857669395 JBIRRVMYMYIPJL-XHDPSFHLSA-N 291.351 1.528 0 50 CDAA COc1ccc(-c2nccn2[C@H]2CCNC[C@@H]2O)cc1C 1857734620 WYRQTTHUZCSCOQ-KBPBESRZSA-N 287.363 1.762 0 50 CDAA O=C(CNC(=O)c1ccccc1C(=O)O)c1ccccc1 298829 VQRLTLHFHCPVEM-UHFFFAOYSA-N 283.283 1.998 0 50 CDAA in-vitro O=C(O)[C@H](C1CC1)N1CCCC[C@H]1CN1CCOCC1 635016747 OVVYEITYCSEINJ-KBPBESRZSA-N 282.384 1.036 0 50 CDAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H]1CO 125032733 URTGJOFGJIZTGP-HNNXBMFYSA-N 285.347 1.528 0 50 CDAA Cn1ccc(CC(=O)N[C@](C)(C(=O)O)c2ccccc2)n1 663141117 JNOKEKZEOOROHU-HNNXBMFYSA-N 287.319 1.079 0 50 CDAA Cn1nccc1S(=O)(=O)Nc1cccnc1C1CC1 903682287 WPPGSBYJKZDXOR-UHFFFAOYSA-N 278.337 1.493 0 50 CDAA O=C(Nc1ccc2c(=O)[nH]ccc2c1)N[C@@H]1C[C@@H]2CC[C@H]1N2 904521293 MUIDCSVIPUUSOD-IACUBPJLSA-N 298.346 1.543 0 50 CDAA CCS(=O)(=O)N1CCN([C@@H]2CCC[C@H](C)C2)CC1 19850712 DSKJNSAMSJTGHR-QWHCGFSZSA-N 274.430 1.532 0 50 CDAA CC(C)(C)c1nc(C(=O)Nc2cnn[nH]2)cs1 935596026 AZCGBLCJCLRGKA-UHFFFAOYSA-N 251.315 1.811 0 50 CDAA O=C(O)[C@@H]1CCCN1C(=O)c1csc(C(F)(F)F)n1 263535189 OGNKGAHQJLARFX-LURJTMIESA-N 294.254 1.851 0 50 CDAA CCNC(=O)CN1CCO[C@@H](c2cccc(F)c2)C1 171237606 PMYFBNCODHXFKG-CYBMUJFWSA-N 266.316 1.335 0 50 CDAA Cc1nc(C)c(C(=O)N2CCC([C@H]3CCNC3)CC2)o1 290141193 MMWGSOIIEOXISI-ZDUSSCGKSA-N 277.368 1.753 0 50 CDAA N[C@@H]1CC[C@@H]2CN(C(=O)CCc3cccs3)C[C@H]21 195562260 ZIGZRERIIHCQSD-RAIGVLPGSA-N 264.394 1.876 0 50 CDAA Cc1ccc(CN2CC[C@H](O)[C@H](CO)C2)c(Cl)c1 335649603 OFPKAIKJPPIOMA-JSGCOSHPSA-N 269.772 1.824 0 50 CDAA O=C(Cc1ccc(Cl)cc1)N1CC[C@@](F)(CO)C1 335928277 OLHFEECKMYDEMI-ZDUSSCGKSA-N 271.719 1.815 0 50 CDAA O=C(O)COc1ccc([N+](=O)[O-])cc1Br 140381227 NPVFSPBETIYFKW-UHFFFAOYSA-N 276.042 1.821 0 50 CDAA C=CC(=O)Nc1ccc(C(=O)NCc2nonc2C)cc1 1462558177 RXQBQVRAZSEMJI-UHFFFAOYSA-N 286.291 1.433 0 50 CDAA CCC[C@@]1(C(=O)O)CN(c2ncnc(C)c2C)CC[C@@H]1O 2100482484 CFFRKOUTCYKJHP-SWLSCSKDSA-N 293.367 1.536 0 50 CDAA C[C@H]1CC/C(=C\C(=O)NC[C@]2(C)CCC(=O)N2)C1 2325751320 NBAKROPOVYXBAX-QXJBUQTMSA-N 250.342 1.518 0 50 CDAA CCCCNC(=O)COC(=O)/C=C/c1cccc(N)c1 2325765628 YESKZMURRVWKQP-BQYQJAHWSA-N 276.336 1.742 0 50 CDAA Cc1nc(O)ccc1C(=O)N1C[C@@]23CC[C@]2(COC3)C1 2325766665 PRPJNOSROUFPKU-HUUCEWRRSA-N 274.320 1.348 0 50 CDAA CCC[C@](C)(CO)NC(=O)c1nccc2ncccc12 2325773491 IIEAINQLSXMPJE-OAHLLOKOSA-N 273.336 1.911 0 50 CDAA CCN1C[C@@H](C(=O)N[C@H]2CC23CC(C)(C)C3)CCC1=O 2325783981 QLMMAMQSWMHXPR-RYUDHWBXSA-N 278.396 1.940 0 50 CDAA O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)c1cnn(C3CC3)c1)C2 2325799529 FWKYEXHOYFHZDK-WQAKAFBOSA-N 289.335 1.543 0 50 CDAA CC(C)(C)c1nc(C(=O)N=c2ccn(C3CCC3)[nH]2)n[nH]1 2325801168 ZSHXTEGWYSYDLS-UHFFFAOYSA-N 288.355 1.698 0 50 CDAA NCC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](N)C2)c2ccccc21 888097862 QWPDFWQCZSPPQA-UPJWGTAASA-N 273.380 1.593 0 50 CDAA C[C@@H]1CC(C)(C)CN1C(=O)c1ccnc2[nH]c(O)nc12 910462558 RFGYBNBHNPPLRX-MRVPVSSYSA-N 274.324 1.924 0 50 CDAA CCCC(=O)N[C@](C)(CC(=O)O)c1ccncc1 911616498 DTUJIYBRXUFVCR-CYBMUJFWSA-N 250.298 1.688 0 50 CDAA Cc1occc(=O)c1OCC(=O)NC(C)(C)C(F)F 935743709 IODWTXUBUXJMNP-UHFFFAOYSA-N 275.251 1.487 0 50 CDAA Cc1nonc1OCCn1nnc(-c2ccccc2)n1 248273 BPWZHHWEDDFTMY-UHFFFAOYSA-N 272.268 1.111 0 50 CDAA COc1ccc(N2C(=O)C[C@@H]([C@@H]3CCCO3)C2=O)cc1 250894 GHVBNWMNHPAMCU-STQMWFEESA-N 275.304 1.754 0 50 CDAA O=S(=O)(NCc1ccncc1)c1ccc(F)cc1 272684 LUGSEHAHCXTUEM-UHFFFAOYSA-N 266.297 1.699 0 50 CDAA CCOC(=O)N1N=C(CC)C[C@]1(O)C(F)(F)F 280622 GKCWCLGDUMXZMK-QMMMGPOBSA-N 254.208 1.866 0 50 CDAA CN1C(=O)[C@@](O)([C@@H]2COC(C)(C)CC2=O)c2ccccc21 341029 LUUDDMFQLMETMI-BZNIZROVSA-N 289.331 1.235 0 50 CDAA biogenic CCOC(=O)C(=O)Nc1nnc(C(F)(F)F)s1 2156714 WCTZTHAVVADRAJ-UHFFFAOYSA-N 269.204 1.059 0 50 CDAA c1ccc2c(c1)OC[C@@H](c1nn3cnnc3s1)O2 2331839 VWTGBDZVYQNRCG-VIFPVBQESA-N 260.278 1.698 0 50 CDAA NCCc1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)cc1 2356147086 HIXBHLWEQVIGTL-CQSZACIVSA-N 284.363 1.216 0 50 CDAA Cn1nccc1CCC(=O)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356149848 XFAZEHBLPCWPDU-WDNDVIMCSA-N 277.368 1.257 0 50 CDAA O=C(NCc1ccc2c(c1)OCO2)C(=O)N1CCCCC1 2847247 VWNNRGRTHPXXNS-UHFFFAOYSA-N 290.319 1.044 0 50 CDAA COCCCNC(=S)NC(=O)c1ccc(F)cc1 2895344 UDRHVTFEACKHEL-UHFFFAOYSA-N 270.329 1.467 0 50 CDAA O=C(CCCC(=O)NCc1ccco1)NCc1ccoc1 3002446 HIFXVMJYORSAOJ-UHFFFAOYSA-N 290.319 1.976 0 50 CDAA CN1CCC[C@]2(CCCN2C(=O)c2n[nH]cc2Cl)C1=O 2356158249 ZUZMIIGHAULILP-ZDUSSCGKSA-N 296.758 1.290 0 50 CDAA Cc1nnc(CN2CCC[C@@]23CCCN(C)C3=O)s1 2356168452 DWUPEPRZQONOCQ-CYBMUJFWSA-N 280.397 1.433 0 50 CDAA CS(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12 4487675 PPELIIDMVLBGLF-UHFFFAOYSA-N 272.757 1.913 0 50 CDAA C[C@H]1CN1C(=O)NCCCCCCNC(=O)N1C[C@@H]1C 4722633 QJMVVECCBAWCLZ-VCKYCXPWSA-N 282.388 1.374 0 50 CDAA CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 6678419 JNEQDWYKRPFOQI-NEPJUHHUSA-N 260.337 1.954 0 50 CDAA O=C(Nc1ccncc1)c1cccc(-n2cnnc2)c1 6701403 ANVNVDFTQVUXCT-UHFFFAOYSA-N 265.276 1.915 0 50 CDAA O=C1CNCCN1c1cccc(Br)c1 55168312 NGJQSFABNPLHFX-UHFFFAOYSA-N 255.115 1.385 0 50 CDAA O[C@@H](CN1CCC[C@H]1Cn1cncn1)c1ccc(F)cc1 247804004 XRHPDPBYXRTUDV-GJZGRUSLSA-N 290.342 1.615 0 50 CDAA O=C(Cn1ccccc1=O)NCCCOC1CCCCC1 66067022 XAOTVFDDIDFTPE-UHFFFAOYSA-N 292.379 1.704 0 50 CDAA Cc1cc(NC(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)no1 229189744 ACCRRKPRVILMJU-DLOVCJGASA-N 296.371 1.602 0 50 CDAA C[C@@H]1CSC[C@@H]1N1C(=O)[C@H]2CCCCN2C1=O 328595565 YJWGQFBYEXGAKJ-BBBLOLIVSA-N 254.355 1.555 0 50 CDAA C[C@@H](Cn1ccnc1)NCc1noc(-c2ccco2)n1 67919636 MKEQGZQBDQSRQL-JTQLQIEISA-N 273.296 1.704 0 50 CDAA Cc1ccc(CC(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)cc1 328641484 XYPJIUKOCLYPTL-HNNXBMFYSA-N 298.390 1.776 0 50 CDAA CCc1cnccc1C(=O)NC[C@H]1CCn2ccnc2C1 328618720 DZAXLJGIQUWELT-LBPRGKRZSA-N 284.363 1.833 0 50 CDAA Cc1c([C@H]2OCC[C@@H]2N[C@H]2CCSC2)cnn1C 328622171 IFADFMJEOJVPKS-WCFLWFBJSA-N 267.398 1.654 0 50 CDAA O=S(=O)(C[C@H]1CCOC1)NC(C1CCC1)C1CCC1 329060057 JHCNFOGTZCDWOH-NSHDSACASA-N 287.425 1.911 0 50 CDAA CCC(O)(CC)CNC(=O)Nc1ccc(F)cn1 123360445 UTPKNFCNRSWRAX-UHFFFAOYSA-N 255.293 1.893 0 50 CDAA C[C@@H]1C[C@H](C(=O)N2CC[C@@H]([C@H]3CCOC3)C2)CC(O)=N1 329447114 OATLVRSIAPVBSW-NDBYEHHHSA-N 280.368 1.626 0 50 CDAA O=C(NCCCn1ccnc1)c1cc(-c2ccco2)on1 22335275 PQXINDBPUDNMPE-UHFFFAOYSA-N 286.291 1.951 0 50 CDAA Cc1cnc(NC2CCN(C(=O)C(C)C)CC2)nc1 124157033 QBWRVZQEGRJUAK-UHFFFAOYSA-N 262.357 1.844 0 50 CDAA CS(=O)(=O)C1(CNC(=O)[C@H]2CCCC(F)(F)C2)CC1 332164082 RSVOZGAFJIKRLB-VIFPVBQESA-N 295.351 1.505 0 50 CDAA Cc1nc(C(=O)N(C)Cc2snnc2C)cs1 65460272 RCTCZIJCDBSNMQ-UHFFFAOYSA-N 268.367 1.884 0 50 CDAA COc1cccc2ncn([C@@H](C)Cn3cccn3)c(=O)c12 32576330 YBPBDJBPCYLDAL-NSHDSACASA-N 284.319 1.863 0 50 CDAA CCOC(=O)C1CCN(c2ncc(C=O)s2)CC1 1405381 GMNRXGBBTVVELR-UHFFFAOYSA-N 268.338 1.735 0 50 CDAA COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@@H]1C)C(=O)O 237269487 DKLQFFRQGDIPPT-CYZMBNFOSA-N 291.347 1.711 0 50 CDAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(Cc2nccn2C(F)F)C1 284495874 GQHBYSZRGUJSNN-BDAKNGLRSA-N 298.297 1.358 0 50 CDAA C1C[C@H]2[C@@H]3C[C@H](C[C@@H]3N[C@@H]3CCc4nnnn4CC3)[C@H]2C1 333844866 MBLHLUDFYNGSEH-MBIARJLFSA-N 287.411 1.792 0 50 CDAA O=C(c1cccc(CO)c1)N1CCOC[C@@H]1C1CC1 334444261 DTHHTBWOVDCHSA-CQSZACIVSA-N 261.321 1.430 0 50 CDAA Cc1cccc(CNC(=O)CN2CC[C@@](O)(C(F)F)C2)c1 451423655 FOZIMUVZUGIOIO-HNNXBMFYSA-N 298.333 1.313 0 50 CDAA Cc1nc(N(C)Cc2ncc[nH]2)c2cnn(C)c2n1 72169259 QIMVADKTOPEWDP-UHFFFAOYSA-N 257.301 1.031 0 50 CDAA CN1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 72436300 SLHAOCNIJZVKKP-CYBMUJFWSA-N 277.416 1.610 0 50 CDAA Cc1n[nH]cc1CN[C@H]1CCO[C@@H]1c1cccnc1 285052029 OHAMLPSPONWZOF-UONOGXRCSA-N 258.325 1.733 0 50 CDAA CCn1nccc1CCN1CCO[C@@H](c2nccs2)C1 253421341 VANPZPPGLSKWKM-CYBMUJFWSA-N 292.408 1.976 0 50 CDAA O=C(NC1CC1)N[C@H]1c2ccccc2CC[C@@H]1CO 365058774 OFTSJWDJIMPDBL-BXUZGUMPSA-N 260.337 1.744 0 50 CDAA O=C(O)[C@@H]1CCCN1Cc1nccn1Cc1ccccc1 262670158 RGVLQSJKKHUOME-AWEZNQCLSA-N 285.347 1.980 0 50 CDAA Cc1ccc(S(=O)(=O)Cc2ncnn2C)cc1C 177506781 YCYPWLBFCLFZFI-UHFFFAOYSA-N 265.338 1.406 0 50 CDAA Cc1c[nH]nc1CN[C@@]1(CO)CCOc2ccccc21 289906099 RHPBNMFUXAMBOR-OAHLLOKOSA-N 273.336 1.478 0 50 CDAA CC1(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 177803843 VHFDBTYXUZAOQK-UHFFFAOYSA-N 261.325 1.657 0 50 CDAA Cc1cnc([C@H](C)NC(=O)C(C)(C)N2CCCC2)[nH]1 426698184 GBEVXRRQOIMOIB-NSHDSACASA-N 264.373 1.770 0 50 CDAA CS(=O)(=O)c1ccc(F)cc1Br 40456680 ZQSRQQAHADUCSD-UHFFFAOYSA-N 253.092 1.992 0 50 CDAA in-vitro CCOCCNc1nccc(-c2c(C)nn(C)c2C)n1 48140066 KIWBCBSKTZBPTC-UHFFFAOYSA-N 275.356 1.942 0 50 CDAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1O 238950818 ZSIOTNRWXQEMDQ-RBJBARPLSA-N 273.288 1.854 0 50 CDAA O=C1CC[C@@]2(CCOC2)CN1Cc1cnn2cccnc12 91693932 PSMMGHAYGMXEDO-OAHLLOKOSA-N 286.335 1.258 0 50 CDAA CC[C@@H](CSC)NC(=O)NCC1CCOCC1 181056606 GAASLQUZFDJGON-NSHDSACASA-N 260.403 1.854 0 50 CDAA Cc1nc([C@H]2CCCCN2C(=O)C2CC2)n(CCO)n1 96149195 RCRCSWXZKFBOLI-GFCCVEGCSA-N 278.356 1.042 0 50 CDAA CN(C)c1cnn(CCCOc2ccc(F)cc2)c(=O)c1 95367255 FZMVGLVTMPWYTF-UHFFFAOYSA-N 291.326 1.918 0 50 CDAA Cc1cc(C)nc(CNC(=O)CCCN2CCCCC2)n1 95359959 MYFDCPVNVOLLAU-UHFFFAOYSA-N 290.411 1.976 0 50 CDAA CN(CC(=O)O)C(=O)NC[C@@H]1CSc2ccccc2O1 621836427 HZTKECKTFITHRV-SECBINFHSA-N 296.348 1.266 0 50 CDAA O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CCNCC1 237884723 BGXWFRPCSLUDJW-UHFFFAOYSA-N 290.754 1.776 0 50 CDAA COc1c(C)cc(NC(=O)NCc2n[nH]c(N)n2)cc1C 96163629 WFAMFBYHBNOXNW-UHFFFAOYSA-N 290.327 1.334 0 50 CDAA CCC[C@@]1(CO)CCCN(C(=O)c2cccn(C)c2=O)C1 91769749 LZYQTJQTXYJVSP-MRXNPFEDSA-N 292.379 1.400 0 50 CDAA CCCn1cc(CNC(=O)[C@H]2CCCCCN2C)cn1 95379411 AJCNKGLWTKSBRB-CQSZACIVSA-N 278.400 1.784 0 50 CDAA CCn1cncc1CNC(=O)CC[C@H]1CCCCN1C 95388505 ZUKJHAAQTLBBLI-CYBMUJFWSA-N 278.400 1.784 0 50 CDAA Cc1nc([C@@H](C)NC(=O)c2cn3ccccc3n2)n[nH]1 343337550 ADHWFXVCYTVTLT-MRVPVSSYSA-N 270.296 1.252 0 50 CDAA CCc1nc(CN(Cc2cnn(C)c2)C2CC2)n[nH]1 244816847 SPPDPYHGXYAJDF-UHFFFAOYSA-N 260.345 1.265 0 50 CDAA C[C@H](C1CC1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 245377213 IXEWOZHONCDYRJ-WECGXBHGSA-N 257.333 1.982 0 50 CDAA N[C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2nccs2)C1 299739483 OXRXGJYDBGWIHJ-MXWKQRLJSA-N 281.381 1.170 0 50 CDAA O=C(NC1(C2CC2)CC1)N1CCC[C@H]1Cn1cccn1 534642997 NWTNAMZPSMUSGM-ZDUSSCGKSA-N 274.368 2.000 0 50 CDAA O=C(NC1CCN(c2ncccn2)CC1)c1cncs1 299770195 QEZJETNPLKHZJE-UHFFFAOYSA-N 289.364 1.332 0 50 CDAA Cc1cccc(CNC(=O)[C@@H](C)Cn2cncn2)c1C 827628015 KCHQNYLOFAIYLA-LBPRGKRZSA-N 272.352 1.847 0 50 CDAA Cc1nc(-c2ccc(CO)o2)n(CC(F)(F)F)n1 828827036 XEPUYCWNUZHCIZ-UHFFFAOYSA-N 261.203 1.901 0 50 CDAA Cc1cnccc1CNC(=O)CCN1CCCCCC1=O 828029691 RSKZZWYZAMYCQB-UHFFFAOYSA-N 289.379 1.799 0 50 CDAA COC[C@@H]1CCCN1S(=O)(=O)NC1(CC(C)C)CC1 824370917 BGKHOHXLTCGTHD-LBPRGKRZSA-N 290.429 1.510 0 50 CDAA CC(C)c1csc(C(=O)N2CCCNC(=O)C2)n1 584899442 RYJGIRGQADLEPT-UHFFFAOYSA-N 267.354 1.229 0 50 CDAA CN(Cc1ncon1)C(=O)c1ccc(SCCO)cc1 584885942 MQCVGJLIJDXNBN-UHFFFAOYSA-N 293.348 1.426 0 50 CDAA COC(=O)[C@H](NC(=O)NC1CCCCC1)C(C)C 616784 RKWQHWNULYZMFP-LLVKDONJSA-N 256.346 1.816 0 50 CDAA CCc1ccc([C@@H]2CCCN2C(=O)[C@@H](O)c2cnc[nH]2)o1 865940189 TZDAWIGCKXURLP-JSGCOSHPSA-N 289.335 1.962 0 50 CDAA Cc1nn(CCCNC(=O)Cn2ccnc2C)c(C)c1C 670443484 XKPIBMJIEBWTKR-UHFFFAOYSA-N 289.383 1.520 0 50 CDAA Cn1cc(Cl)cc1C(=O)N1C[C@@H]2CCC[C@H](C1)C(=O)N2 670458210 DRTJMSMKKAGNQQ-KOLCDFICSA-N 295.770 1.419 0 50 CDAA Cc1[nH]ccc1C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 1550814811 OFOWTYYEQIWWIM-UHFFFAOYSA-N 296.392 1.507 0 50 CDAA O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)c1cc(O)nc(C2CC2)n1 1457384772 ISDBAWFPYYBUCU-IQJOONFLSA-N 275.308 1.109 0 50 CDAA CNC(=O)N[C@@H]1CCCN(Cc2c(C)nsc2C)C1 952881929 HXECBRWRXNNKGR-LLVKDONJSA-N 282.413 1.653 0 50 CDAA O=C1C[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N1 1875290278 NEHHWCXCPPBEPA-STQMWFEESA-N 258.321 1.109 0 50 CDAA O=C(Cn1cnc(-c2ccccc2)c1)NC1CCOCC1 1875282306 WXOOXHXVJUFPKF-UHFFFAOYSA-N 285.347 1.845 0 50 CDAA CC[C@H](NC)C(=O)NCc1ccc(Cl)c(OC)c1 1875287280 BXHKTYVDIBGUDP-NSHDSACASA-N 270.760 1.963 0 50 CDAA COC(=O)c1ccc2[nH]nc(C(=O)N3CCCC3)c2c1 1875300534 GZWBHQRXQYXLLE-UHFFFAOYSA-N 273.292 1.586 0 50 CDAA CCCCc1cn([C@H](C)CNC(=O)c2cn(C)cn2)nn1 1875323698 PRLQDIBMBPAOED-LLVKDONJSA-N 290.371 1.345 0 50 CDAA O=C(/C=C/CN1CCCC1)N1C[C@@H]2CC[C@H](C1)O2 1875338475 YULSLHWLRSCLNK-AYIQIARFSA-N 250.342 1.028 0 50 CDAA Cc1noc(CN(C)c2nnc(-c3ccncc3)n2C)n1 1875344896 OMPJFRQWDFOIAT-UHFFFAOYSA-N 285.311 1.205 0 50 CDAA CC1(C)C[C@@H]1C(=O)N1CCN(C(=O)C2CCC2)CC1 952982170 FPQOZMKBMYTUFH-GFCCVEGCSA-N 264.369 1.503 0 50 CDAA CC(C)[C@@H](O)C(=O)N1CCC(CNC(=O)CC2CC2)CC1 952981391 SVFUOYMEAMUJGF-OAHLLOKOSA-N 296.411 1.158 0 50 CDAA N[C@H](c1ccns1)C1(O)CCC2(CC1)OCCO2 958528168 KLIOAWFYTQOHJM-SNVBAGLBSA-N 270.354 1.191 0 50 CDAA O=C1NCC[C@@H]2CCCN(c3cncc(Cl)n3)[C@H]12 883022056 MNHHYAMTELVLLV-KWQFWETISA-N 266.732 1.235 0 50 CDAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(C)o2)C1 888077690 PQIGSRQOCIPYRJ-GHMZBOCLSA-N 275.308 1.913 0 50 CDAA CC(=O)N[C@@H](C(=O)NC1C[C@H]2[C@H](C1)C2(F)F)C(C)C 888100369 FAUGTCBGMJWKOA-GARJFASQSA-N 274.311 1.307 0 50 CDAA 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CDAA CON(C)C(=O)CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 585087408 OJRDUFZOBYSSNM-QWRGUYRKSA-N 270.373 1.585 0 50 CDAA CN1CCC[C@@H]1c1cc(C(=O)NCCc2ccccn2)n[nH]1 585121707 WYVVTMLDFDSIEU-OAHLLOKOSA-N 299.378 1.544 0 50 CDAA CCCCNC(=O)[C@H](C)N1CCC[C@@H](C(=O)O)C1 222640640 OPTLBAXQPWYLKS-WDEREUQCSA-N 256.346 1.088 0 50 CDAA COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nnc(C)o1 225406891 ULPDWZIDVAHZNK-SCVCMEIPSA-N 265.313 1.152 0 50 CDAA O=C(O)c1cccc(CCNC(=O)[C@@H]2CCCO2)c1 111403409 KUXCHAWBVFKVMT-LBPRGKRZSA-N 263.293 1.223 0 50 CDAA CCO[C@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)O)c1 193008047 KVZOYKCQCDXWNH-MRVPVSSYSA-N 269.301 1.066 0 50 CDAA Cc1cc(F)c(S(=O)(=O)N2CCNC[C@@H]2C)cc1F 193358441 OXJGRBJIYLZRAU-VIFPVBQESA-N 290.335 1.256 0 50 CDAA COC(=O)C1(CNCc2csnn2)CCCCC1 195560562 UYZHLDHDUFMTID-UHFFFAOYSA-N 269.370 1.751 0 50 CDAA O=C(c1cc(-c2ccncc2)[nH]n1)N1CCc2nc[nH]c2C1 1189320695 HCCGQHBKZKLAPB-UHFFFAOYSA-N 294.318 1.393 0 50 CDAA O=C1CC[C@H]2CN(C(=O)NCc3ccco3)CC[C@H]2N1 656548054 PZRUBDITWRWIGH-CMPLNLGQSA-N 277.324 1.090 0 50 CDAA CN(Cc1cccc2cccnc12)C(=O)CCn1cnnc1 1506421416 PLBKDAKBVRYZPR-UHFFFAOYSA-N 295.346 1.875 0 50 CDAA Cc1cc(O)cc(=O)n1CCc1nnc2ccccn12 1547200821 IQKBJDKAMIJRER-UHFFFAOYSA-N 270.292 1.148 0 50 CDAA Cn1c(=O)sc2cc(S(=O)(=O)NC3(C)CC3)ccc21 1857528177 SMSZGXDOQRFIJD-UHFFFAOYSA-N 298.389 1.431 0 50 CDAA Cc1noc(C)c1S(=O)(=O)N1C[C@@H]2C[C@]2(C)C1 1857682682 LOWPNHFJJRAJQB-GXSJLCMTSA-N 256.327 1.322 0 50 CDAA O=C1NC[C@@]2(CCCN(C(=O)CC3=CCCC3)C2)O1 1857689284 MHBUPAVGHJOUFV-CQSZACIVSA-N 264.325 1.588 0 50 CDAA Cc1nc(=NCCOc2cncc(Cl)c2)s[nH]1 514596186 JEKVMPZZYIEVNA-UHFFFAOYSA-N 270.745 1.808 0 50 CDAA COc1cc(C=O)cc(Br)c1OCC(=O)O 4701193 PSNAZEXVUPWIHQ-UHFFFAOYSA-N 289.081 1.734 0 50 CDAA in-vitro CC(C)[C@@](C)(NCc1cc2ccccc2oc1=O)C(N)=O 1615570863 ATQBBQMBFZVSIQ-MRXNPFEDSA-N 288.347 1.783 0 50 CDAA N[C@@H]1CCN(C(=O)CCc2ccc(Br)cc2)C1 132571565 QAWBTJCMXSGOEL-GFCCVEGCSA-N 297.196 1.941 0 50 CDAA CC(C)[C@H](CO)NC(=O)N[C@H]1C[C@@H]1c1ccco1 1615616170 HYKMBTHIWBOYLE-DCAQKATOSA-N 252.314 1.452 0 50 CDAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1C[C@H](O)[C@@H](F)C1 1616158012 PDQPRJMREXSLRC-KZRVSBBLSA-N 297.370 1.249 0 50 CDAA COC[C@H]1CCN1C(=O)c1cnn(C(C)C)c1C 354050414 XUSIEQLADJOSPM-LLVKDONJSA-N 251.330 1.633 0 50 CDAA O=C(c1cccc(-n2ccnc2O)c1)N1CC(F)C1 1623814652 SPOFYASWPXEMIH-UHFFFAOYSA-N 261.256 1.372 0 50 CDAA O=C(N[C@@H](CO)c1ccccn1)c1ccc2cnccc2n1 1628454448 XFMVOSDMIZKXBU-HNNXBMFYSA-N 294.314 1.488 0 50 CDAA CN(C)C(=O)CN1CCC(Cc2cccnc2)CC1 378412624 AWPABUXYTGPMRT-UHFFFAOYSA-N 261.369 1.424 0 50 CDAA O=C(c1cn2ccsc2n1)N1CCC[C@H]1C1(O)CC1 1772809831 FOJXFSUMRYUMLT-JTQLQIEISA-N 277.349 1.525 0 50 CDAA Cc1ccc2c(C(=O)NC[C@@H]3C[C@@H]4CC[C@H]3O4)cnn2c1 1772709238 JRMYHZFEOYZTGK-SLEUVZQESA-N 285.347 1.940 0 50 CDAA CC(C)c1cc(C(=O)N2CCC[C@@H]2C2(O)CC2)nc(N)n1 1772818210 AHDRMVJBEPIHPW-GFCCVEGCSA-N 290.367 1.312 0 50 CDAA CC(C)(C)C(=O)N1CCN(Cc2ccco2)CC1 12381292 GXTZXMOJUOMTIW-UHFFFAOYSA-N 250.342 1.970 0 50 CDAA Cc1ccccc1NC(=O)/C=C1\SC(=O)NC1=O 13522721 HQNNUDVJGIQTJK-TWGQIWQCSA-N 262.290 1.800 0 50 CDAA CCc1ccc(C(=O)NCCN2CCOCC2)s1 13744425 GURBLKLXAMDZIV-UHFFFAOYSA-N 268.382 1.373 0 50 CDAA CCN(CC)CC(=O)NCc1cccnc1N(C)C 14964123 AKHUUTCXDYKXON-UHFFFAOYSA-N 264.373 1.106 0 50 CDAA C[C@H](CN1CCOCC1)OC(=O)c1ccc(F)cc1 19928418 OYBGNKITNQSACP-LLVKDONJSA-N 267.300 1.703 0 50 CDAA O=C(O)C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1O 1857700207 CRHHWDVNEXDAQM-HMJDLUCASA-N 261.321 1.467 0 50 CDAA Cc1cccc(-c2nccn2C[C@H]2CN(C)C(=O)CO2)n1 1857700875 AHUJMYOJXUIGTB-GFCCVEGCSA-N 286.335 1.111 0 50 CDAA CCC[C@H]1CN(C(=O)NCc2c(C)nn(C)c2C)CCO1 120576892 PVJLHXMMWZNBHR-ZDUSSCGKSA-N 294.399 1.747 0 50 CDAA Cc1noc([C@H]2CN(C(=O)c3cc[nH]c3C)C[C@@H](C)O2)n1 628855727 ACXJCFQIJVCWJZ-PRHODGIISA-N 290.323 1.617 0 50 CDAA CCN1CCN(C(=O)[C@@H]2CCO[C@@H]2C)C[C@@H]1c1ncc[nH]1 328643833 YZMMDBBJORVNGK-JHJVBQTASA-N 292.383 1.040 0 50 CDAA CO[C@@H](CNC(=O)[C@H]1COCCN1)c1ccccc1Cl 237077356 MZVJQKPNSIQIGW-OLZOCXBDSA-N 298.770 1.132 0 50 CDAA CCc1cnccc1C(=O)N1C[C@H](COC)OC(C)(C)C1 343742202 BGCGWEOEDKHRRF-CYBMUJFWSA-N 292.379 1.910 0 50 CDAA CCCc1ccc(OC[C@H](O)CN2CCOCC2)cc1 19338654 YDDGZHHBYJLSQL-OAHLLOKOSA-N 279.380 1.711 0 50 CDAA CCCn1ncc(C(=O)N2CC[C@@H]3CNC[C@@H]32)c1C 253476918 BYTIEJXGPSUFCC-YPMHNXCESA-N 262.357 1.035 0 50 CDAA COC/C(C)=C/CN1CCc2occc2[C@@H]1C(=O)O 903910425 ULSDPZBVDSZUSQ-NUQDLXRASA-N 265.309 1.856 0 50 CDAA CCC[C@]1(C(=O)O)CCN(c2cccc(C)n2)C[C@@H]1O 1704325143 JKRGPRSXGYXKCC-WFASDCNBSA-N 278.352 1.832 0 50 CDAA Cc1ccccc1COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 910801107 KGLGTEZGGNEWKV-NHAGDIPZSA-N 289.331 1.301 0 50 CDAA Cc1nn(C)cc1NC(=O)Cc1cc(C2CC2)no1 828530180 FPHYTMWIDJDUHK-UHFFFAOYSA-N 260.297 1.775 0 50 CDAA COC(=O)c1ccc(CSc2nc(C)n[nH]2)o1 2480030 DGFWWFXFIZOMRX-UHFFFAOYSA-N 253.283 1.785 0 50 CDAA O=C(N[C@@H]1CCOC[C@H]1O)c1cccc2ccccc12 223219865 JWAXFLOFDMWNAD-HUUCEWRRSA-N 271.316 1.719 0 50 CDAA Cn1cnnc1C1CCN(C[C@H]2CCCOC2)CC1 252510274 ZFXUVALOFJFEEO-GFCCVEGCSA-N 264.373 1.421 0 50 CDAA COC[C@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)O 237230931 UYYZZNLEPJWCOW-WDEREUQCSA-N 257.330 1.515 0 50 CDAA C[C@@]1(C(=O)NCc2ccc(C(=O)O)o2)CC1(F)F 263095440 CJOOBGMBTMTUGW-JTQLQIEISA-N 259.208 1.639 0 50 CDAA CCn1ccnc(NC[C@H]2CCc3nccn3C2)c1=O 275548509 HHFIJLIDPZUSGK-LLVKDONJSA-N 273.340 1.134 0 50 CDAA Cc1ncccc1CNC[C@@H]1CCc2nccn2C1 328655600 YNMUGSGRRQSXKU-ZDUSSCGKSA-N 256.353 1.939 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1 83867 PQBOFWBRBGCGCW-LBPRGKRZSA-N 276.292 1.496 0 50 CDAA NC(=O)c1ccc(-n2nnnc2Oc2ccc(F)cc2)cc1 528325 NGWRXDQJMRTHLO-UHFFFAOYSA-N 299.265 1.693 0 50 CDAA CNS(=O)(=O)N1CCC[C@H]1c1cc(F)ccc1F 2325783132 ZTRBGCQNJBJQKW-NSHDSACASA-N 276.308 1.566 0 50 CDAA CCn1cc(NC(=O)N(C)CC(F)(F)F)c(C(=O)O)n1 2325797798 UWJSFCONTGREEK-UHFFFAOYSA-N 294.233 1.627 0 50 CDAA O=C(NCC[C@H]1CCOC1)c1n[nH]cc1-c1ccncc1 2325797948 AWSUMSHEDKUUSU-NSHDSACASA-N 286.335 1.628 0 50 CDAA C[C@H](O)Cc1nccn1Cc1cc2ccccc2oc1=O 2325879934 MSRIMEDUHCHLLT-NSHDSACASA-N 284.315 1.961 0 50 CDAA CCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OC)cc1 129666 DDLULSFNTBUSEU-ZDUSSCGKSA-N 297.376 1.575 0 50 CDAA C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)O 146184 ZESKQMQDEUTJJN-ZETCQYMHSA-N 257.673 1.308 0 50 CDAA Cc1nc(C)c2c(=O)n(-c3ccccc3)c(=O)[nH]c2n1 191903 SBWYWRGJQULFRO-UHFFFAOYSA-N 268.276 1.086 0 50 CDAA COc1ccc2[nH]c(C(=O)N3CCOCC3)cc2c1 229698 FJVPYSYUBMNKLI-UHFFFAOYSA-N 260.293 1.649 0 50 CDAA CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCO2)s1 1055505 GLEKPBDUBXWOAQ-JTQLQIEISA-N 282.365 1.917 0 50 CDAA O=C1NC(=O)[C@H](c2ccc(Br)cc2)N1 1067392 JMRHMDVCJFYNGR-ZETCQYMHSA-N 255.071 1.330 0 50 CDAA C[C@H]1CCc2c(sc(N)c2C(=O)N2CCOCC2)C1 2569192 MCKKDDMCGKBVNJ-VIFPVBQESA-N 280.393 1.928 0 50 CDAA CCCCCCc1c(O)noc1C[C@H](N)C(=O)O 3996001 OKJBLHIYOWSQDJ-VIFPVBQESA-N 256.302 1.457 0 50 CDAA in-vitro CCCc1n[nH]c2c1C(=O)[C@@H](C(=O)OC)C(C)(C)C2 3996054 RAPNLQUSFGDJTM-NSHDSACASA-N 264.325 1.916 0 50 CDAA Cc1ccc(NC(=O)C[C@@H]2SC(=O)NC2=O)c(C)c1 4093809 NQSHZUIGMUVMCQ-JTQLQIEISA-N 278.333 1.984 0 50 CDAA O=C(Nc1ccc(Cl)cc1)N[C@H]1CCS(=O)(=O)C1 4954763 PMJZKRSXFBBFOL-JTQLQIEISA-N 288.756 1.649 0 50 CDAA CCn1c(CC2CCCCC2)nnc1SCC(N)=O 6725465 DDUBPNIHKADXSL-UHFFFAOYSA-N 282.413 1.998 0 50 CDAA COCc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)no1 173060452 OIMHBSQSBDAEQF-CYBMUJFWSA-N 290.323 1.532 0 50 CDAA Cc1cc(Cl)ccc1NC(=O)C[C@@H]1NCCNC1=O 9225471 CETWXZJMEUQJDG-NSHDSACASA-N 281.743 1.065 0 50 CDAA Cc1ccc(S(=O)(=O)N2C[C@H]3CC(=O)[C@@H]3C2)cc1 55169508 MTXWWLRSSOSHIC-ZYHUDNBSSA-N 265.334 1.205 0 50 CDAA Cc1csc([C@H]2COCCN2CCc2ccnn2C)n1 283084469 LFHQWPBXBACYKT-CYBMUJFWSA-N 292.408 1.801 0 50 CDAA Cc1ccc(C(=O)N(C)C[C@H]2CCn3ccnc3C2)n1C 328629394 OVJXYDFVCSZMJI-ZDUSSCGKSA-N 286.379 1.865 0 50 CDAA CN(C)[C@@H]1CCCN(S(=O)(=O)CC2CCCC2)C1 177748595 JYPWORPOMPSMHV-CYBMUJFWSA-N 274.430 1.532 0 50 CDAA CCN1CCN(C[C@H](O)COCc2ccc(C)cc2)CC1 23114584 XSMDWQCZZRUWPK-KRWDZBQOSA-N 292.423 1.510 0 50 CDAA O=C([C@H]1CCOC1)N1CCC[C@@H](N2CCCC2)C1 119899197 RTFPVXDGZZOXSR-QWHCGFSZSA-N 252.358 1.110 0 50 CDAA COCC(=O)Nc1ccccc1C(=O)NCC(C)C 27377188 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CNC[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)C1 237337598 LODYYDVURZSESA-CJNGLKHVSA-N 287.407 1.159 0 50 CDAA CCC1(CNC(=O)N2CCCC[C@H]2COC)COC1 334096487 SGSPNCXLWGYQIY-LBPRGKRZSA-N 270.373 1.624 0 50 CDAA CCC[C@@H](NC(=O)c1cccc(=O)[nH]1)c1nccn1C 219176200 VHFGTGJXVNNGEF-SNVBAGLBSA-N 274.324 1.380 0 50 CDAA CCOC(=O)[C@H](C(C)=O)[C@@H](NC(C)=O)c1ccccc1 71771098 GMHTZOWJZBVCAF-KGLIPLIRSA-N 277.320 1.632 0 50 CDAA CC(C)C[C@@H]1COCCN1C(=O)CCNC(=O)[C@H]1C[C@H]1C 241277598 LHLDXKMCTNWCPZ-MCIONIFRSA-N 296.411 1.422 0 50 CDAA CCC[C@@H]1C[C@H](C(=O)NCCN2CC=CCC2)CCO1 253431738 SZEJOWWYBCMIGM-HUUCEWRRSA-N 280.412 1.960 0 50 CDAA CCOCCN1CCN(C(=O)c2cccc(O)c2)C[C@@H]1C 357287008 IJALGYQMLKMPAD-ZDUSSCGKSA-N 292.379 1.575 0 50 CDAA C[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@@H](N(C)C)[C@H](C)C1 257366306 RBMNHFVUIRYNRT-TUVASFSCSA-N 282.428 1.990 0 50 CDAA CN(Cc1cccc(-n2cccn2)c1)C(=O)[C@@H]1CCOC1 77406480 BPNXFNHYXGIUCI-CQSZACIVSA-N 285.347 1.867 0 50 CDAA COc1cc(OC)[nH]c(=NCCC2CCC(OC)CC2)n1 342831941 PMGJQBABOVTZJM-UHFFFAOYSA-N 295.383 1.923 0 50 CDAA CC(C)(O)CCc1ccc(CN2CC[C@](O)(CO)C2)cc1 72423380 AKUMMXQJPZNHNE-QGZVFWFLSA-N 293.407 1.319 0 50 CDAA CCNC(=O)N1CC[C@@H](Cc2ccc(C(=O)O)cc2)C1 72431212 RSLJBGQIMJRMIM-LBPRGKRZSA-N 276.336 1.979 0 50 CDAA O=C(c1cc2ccccn2c1)N1CCOC[C@H]1c1ncon1 378509272 VYHKLELUJPLGRK-ZDUSSCGKSA-N 298.302 1.536 0 50 CDAA Cc1cc(C)n(CC(=O)N2C[C@@H](C(=O)O)c3ccccc32)n1 177484238 QYKNYPPNOAGLJY-CYBMUJFWSA-N 299.330 1.715 0 50 CDAA O=C([C@H]1C[C@@H]2C[C@@H]2C1)N1CCN(c2ncccc2F)CC1 613113711 XPCSSPOJAWKNNM-CLLJXQQHSA-N 289.354 1.915 0 50 CDAA O=C(C1C[C@H]2C[C@@H]2C1)N1CCN(c2ncccc2F)CC1 613113714 XPCSSPOJAWKNNM-VXGBXAGGSA-N 289.354 1.915 0 50 CDAA COCCn1c(=N)sc2c(OC)ccc(OC)c21 225394371 MUKWMIBBWHPUEN-UHFFFAOYSA-N 268.338 1.846 0 50 CDAA CCc1csc(CCNC(=O)CCc2ccnn2C)n1 426420135 NOONVLCKGKJRCZ-UHFFFAOYSA-N 292.408 1.731 0 50 CDAA COc1cccc2c1ccn2CC(=O)NCCCC(=O)O 40312405 BFSMJKPOYZLERR-UHFFFAOYSA-N 290.319 1.631 0 50 CDAA biogenic CCC[C@@H]1CN(c2ncc(OC)cn2)C[C@H]1N(C)C 82146637 CHOWTKBDAUUJOB-DGCLKSJQSA-N 264.373 1.652 0 50 CDAA CC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 133982983 ZLMFZDOHWWRPOQ-GFCCVEGCSA-N 279.292 1.735 0 50 CDAA Cc1c(CC(=O)N(C)C[C@@H]2CCCN(C)C2)cnn1C 292860351 RCGSILGVMPSZRX-CYBMUJFWSA-N 278.400 1.071 0 50 CDAA CCN(C[C@H]1CCCCO1)C(=O)c1cc(=O)cc(C)o1 220465607 LFRRCHYIUTYKMR-CYBMUJFWSA-N 279.336 1.979 0 50 CDAA O=C(c1ccc(-n2cnnc2)cc1)N1CCc2[nH]cnc2C1 96160150 UJPQEYKDMRNWIS-UHFFFAOYSA-N 294.318 1.189 0 50 CDAA CCc1ncc(C(=O)N(C)C[C@H]2CCCCO2)cn1 95358952 WLKAEQCBHQJZHJ-GFCCVEGCSA-N 263.341 1.680 0 50 CDAA CCCN1C[C@@H](Nc2nc3c(s2)c(C)nn3C)CC1=O 95515383 XYDZUQTVKZQYBJ-VIFPVBQESA-N 293.396 1.761 0 50 CDAA O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1ccc2nccn2c1 181211424 GBCSCHBGPQSRIS-LLVKDONJSA-N 298.346 1.075 0 50 CDAA CCCc1nnc(N2CCC[C@]3(CCN(C)C3)C2)o1 95358076 SPZRHEXAGYFMJL-CQSZACIVSA-N 264.373 1.944 0 50 CDAA O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1cnc[nH]1)C2 91680773 VBLCWTUPFVYZBB-IUODEOHRSA-N 288.395 1.633 0 50 CDAA COC(=O)c1cccc(NC(=O)NC[C@@H]2CCCN2)c1 97660354 WWEIKZMUFWKQMF-LBPRGKRZSA-N 277.324 1.347 0 50 CDAA O=C(O)[C@H]1[C@H](C(=O)NC2CCCCCCC2)[C@H]2C=C[C@H]1O2 239173816 OSULCULODZEJKV-AAVRWANBSA-N 293.363 1.870 0 50 CDAA c1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ncc[nH]2)C3)nc1 95372417 LCKKGZYRIFRGIT-GOEBONIOSA-N 297.406 1.901 0 50 CDAA CC(C)OCC(=O)N[C@H](c1nccn1C)C1CC1 341702781 BQNNWJFZNMSSIB-LBPRGKRZSA-N 251.330 1.412 0 50 CDAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1C[C@H]1C1CCCCC1 299747574 DGCZTWJFIMDDIT-UONOGXRCSA-N 296.411 1.678 0 50 CDAA C[C@@H](c1ccccc1)N(C)C(=O)NCCN(C)CCO 534675223 DOPNYPBBWGEHAW-ZDUSSCGKSA-N 279.384 1.313 0 50 CDAA COCC1(CNC(=O)NC[C@H](O)c2cccc(O)c2)CC1 534640779 JDVHWWTULLKXQC-ZDUSSCGKSA-N 294.351 1.151 0 50 CDAA Cc1[nH]c(=O)n2c1CN(C(=O)OCc1ccccc1)CC2 261361148 RKLNWAIBRGVGHB-UHFFFAOYSA-N 287.319 1.637 0 50 CDAA CO[C@H]1COC[C@@H]1NC(=O)c1cc2c(Cl)cccc2[nH]1 534658175 USVFJZSFIFOPIV-STQMWFEESA-N 294.738 1.965 0 50 CDAA Cc1ccn2nc(C(=O)N3CCCNCC3)cc2c1 534653029 AXHBDUSQFOHEPN-UHFFFAOYSA-N 258.325 1.078 0 50 CDAA COc1ccc(O)c(-c2c(C)nn(C)c2C(=O)O)c1 534591416 GILWGQZJRXQDEY-UHFFFAOYSA-N 262.265 1.808 0 50 CDAA CCN(CC)S(=O)(=O)c1ccc(OC)c(OC)c1 270172 HGHMNKFJLGKOLQ-UHFFFAOYSA-N 273.354 1.734 0 50 CDAA CCN1CCN(C2CCN(c3ccncc3C)CC2)CC1 823112746 ARBKBBDIOODHAJ-UHFFFAOYSA-N 288.439 1.996 0 50 CDAA COC[C@H](C)N(Cc1cccc(OC)c1)S(C)(=O)=O 824339230 VZLOKVURUITNIS-NSHDSACASA-N 287.381 1.492 0 50 CDAA CCOCC(=O)Nc1ccccc1NC(=O)CN(C)C 823316693 SEECLCDXFBRPDG-UHFFFAOYSA-N 279.340 1.162 0 50 CDAA COC(=O)N1CCCC[C@H]1C(=O)N(C)CC1(CO)CCC1 584895682 FBYAAWJATWTIMG-LBPRGKRZSA-N 298.383 1.228 0 50 CDAA C/C(=C(/F)C(=O)N1CCC[C@H]1CN1CCOCC1)C1CC1 585134051 BJMMQUDIZBDMGY-UZFBZYOGSA-N 296.386 1.963 0 50 CDAA Cc1cc(C)n(C[C@H](C)n2cnc3ccncc3c2=O)n1 584899676 SYBUDDSDHYIMKG-LBPRGKRZSA-N 283.335 1.866 0 50 CDAA CCCc1nc(N2CCC(CCC(N)=O)CC2)no1 670456123 MXULMJOKFMRESJ-UHFFFAOYSA-N 266.345 1.504 0 50 CDAA COC[C@@H]1CCCN1C(=O)c1nnc(O)c2ccccc12 674587271 GESCGPOWUCHAIE-JTQLQIEISA-N 287.319 1.586 0 50 CDAA CCc1[nH]nc2c1CN(Cc1cc(=O)c(OC)c[nH]1)CC2 670458297 GSEOWEWWASJHCR-UHFFFAOYSA-N 288.351 1.227 0 50 CDAA CCN(c1cccnc1C)S(=O)(=O)c1cnn(CC)n1 1875290387 AEZYFVZFSTYBRI-UHFFFAOYSA-N 295.368 1.217 0 50 CDAA O=C(NN1CCCCC1=O)c1ccnc(C2CC2)n1 1875257830 WLUCSTMTXGJNPT-UHFFFAOYSA-N 260.297 1.011 0 50 CDAA CCc1nc(C(=O)NC/C=C/C(=O)OC)c(C)o1 1875273236 HSGLQVZHGQXTEN-AATRIKPKSA-N 252.270 1.004 0 50 CDAA O=C(NO[C@H]1CCCCO1)[C@@H]1CCO[C@H]1c1cccnc1 1875278262 METCAJVSQLMECI-RDBSUJKOSA-N 292.335 1.734 0 50 CDAA COc1nc(C)cc(C)c1CNC(=O)c1nnc(C)o1 1875282259 VKYCMWYXPNODOF-UHFFFAOYSA-N 276.296 1.328 0 50 CDAA CCC(CC)(CO)C(=O)NC[C@H](C)n1cc(C2CC2)nn1 1875323565 MFLOCLLBHUVHCM-NSHDSACASA-N 294.399 1.631 0 50 CDAA CN1Cc2c(NC(=O)c3ccc(CN)o3)cccc2C1=O 1875360064 YDDXETQSZYODEG-UHFFFAOYSA-N 285.303 1.576 0 50 CDAA CCCc1cc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)no1 886999956 WHLGNYMPAKMFRJ-CHWSQXEVSA-N 294.351 1.287 0 50 CDAA O=C(c1cscn1)N1CCOc2ccccc2[C@H]1CO 887109294 INFPSLHNQNBOHZ-GFCCVEGCSA-N 290.344 1.711 0 50 CDAA O=C(N[C@@H]1CCOC12CCCC2)c1coc(CO)c1 890408450 KWMQDVWXAFILKB-GFCCVEGCSA-N 265.309 1.603 0 50 CDAA CCc1c[nH]c2ncnc(N3CC[C@@](C)(C(=O)NC)C3)c12 893651124 MJGLNMGYWQDYLP-OAHLLOKOSA-N 287.367 1.483 0 50 CDAA Cc1noc(C)c1-c1cn(CCO[C@H]2CCOC2)nn1 899736122 UQJMPNDTMXXTKZ-NSHDSACASA-N 278.312 1.355 0 50 CDAA CCc1cc(NC(=O)NCCc2cn[nH]c2)nn1C 1336222922 ZTTXFIKJEJJFJR-UHFFFAOYSA-N 262.317 1.070 0 50 CDAA COCOCCCNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 1775989728 AECRYWSBOIIRTK-GFCCVEGCSA-N 296.371 1.657 0 50 CDAA COc1ccccc1N1CCC[C@H](NCCC(=O)O)C1=O 1776003749 GQUKMJKEWPFTFD-NSHDSACASA-N 292.335 1.255 0 50 CDAA C[C@H]1CN(S(=O)(=O)c2ncc[nH]2)CCN1C1CCCC1 1414342341 CKZQXUPPNCWZQU-NSHDSACASA-N 298.412 1.047 0 50 CDAA O=C(N[C@H]1CC[C@H](O)CC1)c1cncnc1C1CC1 898006004 MVHKTSHUFPKWRK-XYPYZODXSA-N 261.325 1.387 0 50 CDAA CC(=O)NC[C@H](C)N(C)C(=O)c1cc(C(F)(F)F)no1 1426562399 WMVFYTBNLVMEHP-LURJTMIESA-N 293.245 1.290 0 50 CDAA CN(C)c1n[nH]c(CN[C@@H]2CCc3cccnc3CC2)n1 1364637816 QIJGYAUYFBIYHL-GFCCVEGCSA-N 286.383 1.303 0 50 CDAA O=C(Nc1c[nH]c2nccc-2c1)C1(C(=O)NC2CC2)CCC1 1471783009 XZTCFCPWKMUZPB-UHFFFAOYSA-N 298.346 1.902 0 50 CDAA Cn1cc([C@H]2CN(C(=O)Cc3cncs3)CCO2)cn1 276324680 XGKBTOPVBLOECZ-GFCCVEGCSA-N 292.364 1.019 0 50 CDAA C[C@@H](CC(=O)N1CC[C@H](S(C)(=O)=O)C1)C(C)(C)C 407962445 CUNHNLSSBZBABM-QWRGUYRKSA-N 275.414 1.704 0 50 CDAA O=C(CCOC1CCOCC1)N1CCC(F)(F)CC1 225440264 CXIFBGXFVTXBRV-UHFFFAOYSA-N 277.311 1.830 0 50 CDAA COC(=O)[C@@H]1COCCN1CCSC(C)(C)C 225747813 GLGVTIINJUVCBB-JTQLQIEISA-N 261.387 1.392 0 50 CDAA CN(CC(C)(C)CN)C(=O)c1ccc2c(c1)CCC(=O)N2 226288627 FHSYNQKOTNDDJG-UHFFFAOYSA-N 289.379 1.628 0 50 CDAA COC(=O)[C@@H]1CCn2c(nnc2[C@@H]2Cc3ccccc3O2)C1 601045504 VUIOSSGJKQPWFI-YPMHNXCESA-N 299.330 1.690 0 50 CDAA CSCC1(CCNC(=O)c2cncnc2)CC1 597988775 VZOMWOIYXRRBPE-UHFFFAOYSA-N 251.355 1.740 0 50 CDAA Cc1ccc(Cc2nnn(CC3CCOCC3)n2)cc1 190679729 CEUBSHHNLNQDQE-UHFFFAOYSA-N 272.352 1.999 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)Nc1nc2ccccn2n1 191149497 KXUKPZGSNORUQS-NXEZZACHSA-N 260.297 1.483 0 50 CDAA COc1ccc2c(c1)OCCN([C@H](C)C(=O)O)C2 652446792 ZCOYZRXVRLIAGI-SECBINFHSA-N 251.282 1.363 0 50 CDAA Cc1cc(O)c(COC(=O)[C@H]2CCSC2)nn1 802171538 KXRMSQFHZMFVQW-QMMMGPOBSA-N 254.311 1.287 0 50 CDAA O=C(c1ccc2nnnn2c1)N1CC2(CCC2)[C@@H]1C1CC1 574862718 QZDHQGZGZWVHHQ-ZDUSSCGKSA-N 283.335 1.529 0 50 CDAA Cn1ccc(CNc2ccc(Cl)cc2C(N)=O)cc1=O 674065387 RHSYNBZHXXATSG-UHFFFAOYSA-N 291.738 1.750 0 50 CDAA C[C@H]1CCOCCN1C(=O)CNC(=O)c1ccsc1 775617506 GTSSZWCWOIABOF-JTQLQIEISA-N 282.365 1.115 0 50 CDAA O=C(c1cc(C2CCCCC2)[nH]n1)N1CC(O)(C(F)F)C1 584716773 SFXQQQQTNPISSJ-UHFFFAOYSA-N 299.321 1.909 0 50 CDAA CN(Cc1cccs1)C(=O)CN=[S@](C)(=O)N(C)C 585090001 CXLPDDIXZFCGGM-SFHVURJKSA-N 289.426 1.281 0 50 CDAA CCCCCOCC(=O)N[C@@H](CN(C)C)C(C)C 585146011 HLQSBWGMTZKZCL-ZDUSSCGKSA-N 258.406 1.896 0 50 CDAA CC(C)c1nc(CCNc2cc(NCCO)ncn2)no1 1506421357 OWZRBGQPDUHYCD-UHFFFAOYSA-N 292.343 1.042 0 50 CDAA O=C(OC[C@@H]1CC[C@@H]2O[C@@H]2C1)[C@@H]1CC[C@H]2O[C@H]2C1 212639890 YXALYBMHAYZKAP-LYUGOTMTSA-N 252.310 1.665 0 50 CDAA in-vitro COCc1ncc(C(=O)N2CCC[C@@](C)(O)CC2)s1 331586843 GBJXFXMCBATDPT-CYBMUJFWSA-N 284.381 1.667 0 50 CDAA COc1c(C)cc(C(=O)N2CCC[C@H]2CO)cc1C 133476658 BMWOIPULCIXQKT-ZDUSSCGKSA-N 263.337 1.909 0 50 CDAA Cc1conc1CNC(=O)CCc1ccc(C(=O)O)cc1 1607923787 ZXBOTBLXEZEFDZ-UHFFFAOYSA-N 288.303 1.930 0 50 CDAA Cc1ccc(CN2CC[C@H](C(=O)O)[C@H](O)C2)cc1C 1704354459 DZECJJAFGFOTHP-UONOGXRCSA-N 263.337 1.571 0 50 CDAA COc1csc(C(=O)N[C@H](C(=O)O)C(C)C)c1 161364042 KGWLPFHQKGXPRG-VIFPVBQESA-N 257.311 1.596 0 50 CDAA Cc1cc(C)c(CC(=O)N[C@]23CCC[C@H]2CNC3)c(O)n1 1615555608 VEEZAWHFNNCNCC-LRDDRELGSA-N 289.379 1.205 0 50 CDAA Cc1cccnc1CNC(=O)[C@@H]1NCCOc2ccccc21 1615616264 ZHUHCZVNIYEOEI-MRXNPFEDSA-N 297.358 1.730 0 50 CDAA CCCCCCOC(=O)[C@@H]1C[N@@]1[C@@H](CC)C(=O)OC 1857666508 YATMUZOFWQFISU-HUBLWGQQSA-N 271.357 1.746 0 50 CDAA C[C@]12C[C@H]1CN(C(=O)c1ccccc1-n1cncn1)C2 1772811851 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CCOC(=O)N1CCC(NC(=O)N(C)C2CC2)CC1 114908547 AIKLCRWMWXXDDY-UHFFFAOYSA-N 269.345 1.411 0 50 CDAA CCN1CCOC(=O)[C@@H]1CC(=O)Nc1ccc(C)c(C)c1 54253709 OTHFNJOXUKOBFG-AWEZNQCLSA-N 290.363 1.879 0 50 CDAA CC(C)[C@H](C)N(Cc1ccco1)C(=O)CS(C)(=O)=O 55226619 KWJNPJNJGWJWCY-NSHDSACASA-N 287.381 1.697 0 50 CDAA CC(C)(C)OC(=O)N1CCc2nn3c(O)ccnc3c2C1 100189836 ZRWASQQJOSIAPR-UHFFFAOYSA-N 290.323 1.728 0 50 CDAA CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1nc(O)n[nH]1 331087207 QJNCPLPPMPQWIT-DCAQKATOSA-N 296.371 1.500 0 50 CDAA O=C(c1cnc2cnccc2c1)N1C[C@H](F)C[C@H]1CO 329851137 SUSHUFTVYZUVAQ-NEPJUHHUSA-N 275.283 1.175 0 50 CDAA COc1ccc(CN2CC[C@@](C)(NCC(=O)O)C2)cc1F 435669199 JFASZAPFAPUZJL-OAHLLOKOSA-N 296.342 1.473 0 50 CDAA CC(C)C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)n1cccc1 409413055 AQMFYRLOYAVHSW-OLZOCXBDSA-N 298.408 1.379 0 50 CDAA CCCC[C@H](C(=O)OC)N1CC(C)(C)O[C@@]2(CCOC2)C1 328588519 HMFKURYEYVHJHZ-CJNGLKHVSA-N 299.411 1.988 0 50 CDAA CCCN(Cc1nccn1C)C(=O)c1cnc(CC)nc1 65384437 PHEWWSPBJIGICP-UHFFFAOYSA-N 287.367 1.825 0 50 CDAA Cn1nncc1CN1C[C@H](O)C[C@@H]1c1ccc(F)cc1 331699041 ZPJIVXOBISCHSG-ZIAGYGMSSA-N 276.315 1.262 0 50 CDAA Cc1ccc(N2CCCN(CC[C@H]3CCCO3)CC2)nn1 249282595 LCOLHPCLZAAKHF-OAHLLOKOSA-N 290.411 1.866 0 50 CDAA O=C(NCC[C@H]1C[C@H]2CC[C@H]1O2)[C@H](O)C1CCC1 333725775 IYGFOYDSWZFSTL-UMSGYPCISA-N 253.342 1.221 0 50 CDAA CCOc1ccc(C(=O)N2CCC[C@@H](NC)C2)cc1OC 133444090 GVGFOXOFVDNSPQ-CYBMUJFWSA-N 292.379 1.918 0 50 CDAA Cc1ccc(C(=O)NCC2(C(=O)O)CCOCC2)s1 138129263 VAIYJMHHVAYAKO-UHFFFAOYSA-N 283.349 1.668 0 50 CDAA Cc1cccc2[nH]c(CNS(=O)(=O)C3CC3)nc12 129995924 QQFKVZYYBUCWIY-UHFFFAOYSA-N 265.338 1.453 0 50 CDAA Cc1nnc(CN2C(=O)N[C@@](C)(c3ccsc3)C2=O)o1 130672396 ZLJWLAPZQSOWMT-LBPRGKRZSA-N 292.320 1.407 0 50 CDAA COCCN1C(=O)C2(CCNCC2)Nc2ccccc21 77377353 ZCTAVCDRQFJHAD-UHFFFAOYSA-N 275.352 1.214 0 50 CDAA Cc1nonc1CC(=O)N1CCC(c2ccncn2)CC1 215132389 NJYJAMGRADPPMQ-UHFFFAOYSA-N 287.323 1.117 0 50 CDAA O=C1CN(c2ncnc3c2CCCCC3)CCN1C1CC1 336951908 RECSTJBTHRYDDM-UHFFFAOYSA-N 286.379 1.557 0 50 CDAA CN(C)[C@@H]1CCCN(C(=O)c2ccnn2C(F)F)CC1 72134314 ZWFZXMVRAZEWQM-SNVBAGLBSA-N 286.326 1.835 0 50 CDAA CC(C)C[C@@H](O)C1CCN(C(=O)c2ccn(C)n2)CC1 77407691 CNHGFFRTEPZAFQ-CQSZACIVSA-N 279.384 1.679 0 50 CDAA C[C@@H]1CN(C[C@@H](O)c2ccccc2)CC[S@](=O)C1 253421074 PHVHTTDLRVVGSP-DFHBCGBQSA-N 267.394 1.420 0 50 CDAA CCc1nc(C)cc(N2CC(NC(=O)C3CCC3)C2)n1 367426223 MMTLPGRUBWAESL-UHFFFAOYSA-N 274.368 1.452 0 50 CDAA C=Cn1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cn1 364589696 NRPCEIRBVGTFHK-RWMBFGLXSA-N 260.341 1.069 0 50 CDAA Cc1nn(C)c2nccc(N3CC[C@@H](C(=O)O)C3)c12 263140458 GRIRYKSWEZVOPA-SECBINFHSA-N 260.297 1.188 0 50 CDAA CCCn1cc(CN2CCN(C)[C@H](CCO)C2)c(C)n1 39532130 LTHBMKLZKVYEIC-OAHLLOKOSA-N 280.416 1.100 0 50 CDAA CC1CCN(C(=O)CN2CC[C@@H]3CCN(C)C[C@@H]32)CC1 373137107 FRFOJCZTITZVBJ-GJZGRUSLSA-N 279.428 1.271 0 50 CDAA O=C(c1cccc(-n2cccn2)c1)N1CC([C@H]2CCOC2)C1 373426144 KOQYVTQPDFJQPU-AWEZNQCLSA-N 297.358 1.981 0 50 CDAA CCc1cc(N2C[C@@H]3CNC[C@@H]3C2)n2nc(C)c(C)c2n1 72463626 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CDAA C[C@H](N)[C@@H]1CCCCN1C(=O)c1cnc2[nH]ncc2c1 1875276998 VMPUDRJUCQVCPI-CABZTGNLSA-N 273.340 1.300 0 50 CDAA CO[C@@H]1C[C@H]2C[C@H]1C[C@@H]2NC(=O)c1n[nH]c2c1CCC2 1875308768 VULZEFIODSHVIF-FIDNZITISA-N 275.352 1.442 0 50 CDAA O=C1NC(=O)C2(CC2)c2ccc(Br)cc21 1875357231 XSXXFLGTOFVIQI-UHFFFAOYSA-N 266.094 1.751 0 50 CDAA O=C1NCCN[C@@H]1c1ccc([C@@]23CCC[C@@H]2C3)cc1 1875304384 JDQOWIBNVFCZDE-FMKPAKJESA-N 256.349 1.889 0 50 CDAA C=CC(=O)N1CCC(C(=O)N[C@H](C)c2cnn(C)c2)CC1 1875369282 FFFPGSBGGYHXNX-LLVKDONJSA-N 290.367 1.022 0 50 CDAA CCN1CCC[C@H]1C(=O)NC1(CO)CCCCC1 952989718 OMXCIFRIBFVEDS-LBPRGKRZSA-N 254.374 1.282 0 50 CDAA CC[C@@](C)(O)CNc1ccc2nnc(-c3ccccn3)n2n1 1335420785 IJVVGPNAFSVGFJ-OAHLLOKOSA-N 298.350 1.759 0 50 CDAA Cc1cccc2nc(N3CCN(C)[C@H](CO)C3)oc12 1355320591 CMRLPWQSFGWERG-NSHDSACASA-N 261.325 1.249 0 50 CDAA N[C@H]1CCN(Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1O 1565513757 PYOITKMNJPNHFL-RYUDHWBXSA-N 292.276 1.738 0 50 CDAA COc1cc(CN2CCN(C)CC2)cc(OC)c1 19606932 LUUQSXVZEMAWME-UHFFFAOYSA-N 250.342 1.451 0 50 CDAA CO[C@@H]1CNC[C@@H]1NC(=O)c1ccc(Cl)s1 168220221 FGKZKIVTRNULQO-NKWVEPMBSA-N 260.746 1.118 0 50 CDAA O=C(NC[C@@H]1CCc2nccn2C1)Nc1ccncc1 276018285 QIZMMMCKFTXFLC-NSHDSACASA-N 271.324 1.662 0 50 CDAA Cc1nc(C(=O)N2CCOc3c2c(C)nn3C)c(C)o1 631763695 DLJTVAGGJOSRLB-UHFFFAOYSA-N 276.296 1.373 0 50 CDAA CCOC(=O)c1[nH]c2ccccc2c1NS(C)(=O)=O 585138678 DZNPVYPKAKOPNZ-UHFFFAOYSA-N 282.321 1.716 0 50 CDAA CCCCCOCC(=O)N1CCCCC[C@H]1CO 585126518 BAMCZCOXTGDVTR-ZDUSSCGKSA-N 257.374 1.957 0 50 CDAA O=C(NCCc1ccccn1)[C@H]1CCN1C1CCCC1 585121546 RWQZPCRVBOCEJQ-OAHLLOKOSA-N 273.380 1.757 0 50 CDAA C[C@@H](N[C@@H]1CCN(C)C1=O)c1cccc(-n2ccnc2)c1 170088218 KOKFEYICBHYIDS-IUODEOHRSA-N 284.363 1.754 0 50 CDAA O=C(NC[C@@H](CO)c1ccccc1)c1cccnc1S 170653618 NRPYWINCEQBOIY-LBPRGKRZSA-N 288.372 1.876 0 50 CDAA CCC(=O)N[C@@H]1CCCN(c2ncc(C)c(C)n2)C1 301870913 IPVWFHCFYVDLAM-GFCCVEGCSA-N 262.357 1.588 0 50 CDAA FC(F)n1ccnc1CN1CCC[C@@H](Cn2cncn2)C1 171602330 QJCMBQXRADIPBF-LLVKDONJSA-N 296.325 1.782 0 50 CDAA C[C@H](O)CCNC(=O)c1cc(-c2cccc(O)c2)on1 635580448 DMIYFGOXBDNTGC-VIFPVBQESA-N 276.292 1.548 0 50 CDAA O=C(Cc1ccc2c[nH]nc2c1)N[C@@H]1CCc2n[nH]cc2C1 684442822 RAEKDYNLJUCSJK-CYBMUJFWSA-N 295.346 1.502 0 50 CDAA C[C@H](NC[C@H]1CCNC1)c1ccc2c(c1)CCC(=O)N2 643518865 WKERZDZQAOJDJJ-RYUDHWBXSA-N 273.380 1.831 0 50 CDAA O=C(Cc1cccs1)N1CCOC[C@]12CCOC2 194419977 BVKIZYYVWDZKOR-CYBMUJFWSA-N 267.350 1.309 0 50 CDAA CCO[C@H]1C[C@@](O)(CNC(=O)NCC2CC2)C1(C)C 195578217 NYFYVHHWXUPHDK-SMDDNHRTSA-N 270.373 1.262 0 50 CDAA C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)NC2CC2)C1 195617206 VRFZWMGHVPDFPF-TUAOUCFPSA-N 253.390 1.814 0 50 CDAA Cc1sc(=NCCNc2ccccn2)[nH]c1C(=O)O 570635430 GTOJVFALLCLFEZ-UHFFFAOYSA-N 278.337 1.491 0 50 CDAA CCN1CC[C@H]2CC[C@@H](C1)N2CCN1C[C@H](C)O[C@@H](C)C1 659991979 ABOWCBPTNVEXLG-NXOAAHMSSA-N 295.471 1.654 0 50 CDAA O[C@@]1(c2cnn[nH]2)CCCN(CC2CCCCC2)C1 794009376 MITJJSIIRQKSIV-AWEZNQCLSA-N 264.373 1.668 0 50 CDAA COCc1cn(Cc2ccc(Br)cn2)nn1 900568950 ORCIUCCZWJPFSY-UHFFFAOYSA-N 283.129 1.630 0 50 CDAA Cn1ccnc1CCN1CCN(c2cccc(O)c2)CC1 1506397477 RZGROSSRNOEVPY-UHFFFAOYSA-N 286.379 1.490 0 50 CDAA C[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 163702645 RUJFXUROCXVUME-CYBMUJFWSA-N 262.353 1.239 0 50 CDAA Cc1[nH]ccc1C(=O)N1C[C@@H](O)[C@H](Cc2ccncc2)C1 1704352875 LJTFJLCXQASSSY-UKRRQHHQSA-N 285.347 1.394 0 50 CDAA Nc1oc2ccc(Br)cc2c(=O)c1C=O 154501 AUIUQJYBTPKQGS-UHFFFAOYSA-N 268.066 1.950 0 50 CDAA in-vitro Cc1noc(C)c1CNc1ncnc(N)c1Cl 227848656 YZWNKFVSDNJMPC-UHFFFAOYSA-N 253.693 1.929 0 50 CDAA C[C@@H](Cc1cccs1)C(=O)N1CC[C@@H](C(=O)O)C1 237377648 APBZZVKHWWGWTJ-VHSXEESVSA-N 267.350 1.860 0 50 CDAA O=C(N[C@@]12CCC[C@H]1NCC2)c1cccc2c1CCN2 1615547868 QLLRRQINSKWMDE-GDBMZVCRSA-N 271.364 1.669 0 50 CDAA CN(C(=O)[C@@H]1NCCOc2ccccc21)c1cnn(C)c1 1615614318 FXLXFHYEIKNSKI-CQSZACIVSA-N 286.335 1.106 0 50 CDAA Cc1ncsc1CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 682556428 JBNZVESHSFILGY-HOSYDEDBSA-N 265.382 1.537 0 50 CDAA O=C(O)CCNC(=O)c1csc(-c2ccccn2)n1 154794168 PGOLQQPXIIGSSM-UHFFFAOYSA-N 277.305 1.410 0 50 CDAA COC(=O)c1cc(Br)cc(OC)c1O 34447951 CWMGOQPZJWFRFT-UHFFFAOYSA-N 261.071 1.950 0 50 CDAA in-vitro O=C([C@H](O)c1cccc(Cl)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775979144 GDQZGBKDZFNPNM-ZMJPVWNMSA-N 295.766 1.603 0 50 CDAA COc1ccc(C[C@H](C(=O)O)[C@@H](C)C(=O)O)cc1 5372781 NPRHTWLQMBOOEJ-KCJUWKMLSA-N 252.266 1.659 0 50 CDAA biogenic Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)cc2O)n1 5401642 IDMKSHTVTAVCLQ-UHFFFAOYSA-N 292.316 1.465 0 50 CDAA Cc1cccc(CN2CCC[C@](O)(CNC3CC3)C2=O)c1 12441142 KTDIFONIFLFBTC-KRWDZBQOSA-N 288.391 1.601 0 50 CDAA O=C1C[C@@H](NCC2CC2)CN1Cc1ccc(F)cc1 15062786 OCUINCZMXHGMLC-CQSZACIVSA-N 262.328 1.926 0 50 CDAA OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](Oc2ccc3ccccc3c2)O1 16134191 FYJUIDODJVPCHK-JONQDZQNSA-N 290.315 1.048 0 50 CDAA COC(=O)CNC(=O)c1cc(F)c(F)cc1Cl 16602416 LXBUMLMQZDPZTA-UHFFFAOYSA-N 263.627 1.521 0 50 CDAA CCN1CCN(Cc2cc(OC)c3c(c2)OCO3)CC1 19607040 LJBJRSATTGTZHF-UHFFFAOYSA-N 278.352 1.561 0 50 CDAA O=C1C[C@H]2CN(Cc3ccnn3-c3ccccc3)C[C@H]2N1 1857671279 RSIVPDYHMXQNHW-SWLSCSKDSA-N 282.347 1.193 0 50 CDAA CN(C)[C@@H]1CCN(c2cc(C(N)=O)c3ccccc3n2)C1 1857673974 VIEOAGCXTYMQNM-LLVKDONJSA-N 284.363 1.474 0 50 CDAA CN(C[C@H]1CCc2nccn2C1)C(=O)CCc1ccncc1 328626292 LNMVKKRSZFDWKR-OAHLLOKOSA-N 298.390 1.932 0 50 CDAA CNC(=O)C[C@@]1(O)CCCN(c2ccnc(C)c2Cl)C1 643721117 SEZCNHYRMMKNAL-AWEZNQCLSA-N 297.786 1.511 0 50 CDAA CN1Cc2cc(-c3nnc4ccccn34)ccc2C1=O 1875240529 AINPOTDUYQYQPL-UHFFFAOYSA-N 264.288 1.982 0 50 CDAA CC(CO)(CO)NC(=O)c1ccc2c(c1)Cc1ccccc1-2 120663933 NEOXGGAZXDYLGU-UHFFFAOYSA-N 297.354 1.731 0 50 CDAA COc1ccc(C)cc1C[S@@](=O)Cc1nnc(C)n1C 123537834 ZGHCPAKGWGDSKF-FQEVSTJZSA-N 293.392 1.889 0 50 CDAA CC1(C)C[C@H](NC(=O)NCCc2nccs2)CCO1 162898523 VSLAPSQOZDSVPF-SNVBAGLBSA-N 283.397 1.942 0 50 CDAA Cn1cnc2cc(I)cnc21 35270606 ZPYNEWBMMLGARD-UHFFFAOYSA-N 259.050 1.573 0 50 CDAA in-vitro C[C@]1(O)C[C@@H](NC[C@@H](O)c2ccc(F)c(F)c2)C1 1253372800 JOCTYXJJEWLDGW-WQAKAFBOSA-N 257.280 1.501 0 50 CDAA CN1CCCC[C@H](N(C)Cc2noc3c2COCC3)C1=O 931471621 LINZUUXGWWMHKP-ZDUSSCGKSA-N 293.367 1.190 0 50 CDAA C=CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 1120460972 UMPCAPICOQMDJP-UHFFFAOYSA-N 276.311 1.863 0 50 CDAA CC(C)n1ccc(C(=O)N2CCCC[C@@H]2CCN)n1 286017622 JPDXMLSATVCVCZ-GFCCVEGCSA-N 264.373 1.808 0 50 CDAA CCOC(=O)N1CCC(NCc2nonc2C)CC1 70261633 VVNUXRMEWPUCAZ-UHFFFAOYSA-N 268.317 1.089 0 50 CDAA O=S(=O)(CC1CCC1)N1CCNC[C@@H]1c1ccccc1 313338470 JYIOWYHDUIMIGW-OAHLLOKOSA-N 294.420 1.763 0 50 CDAA O=C([C@@H]1CCc2nn[nH]c2C1)N1CC(C2CCC2)C1 334229282 PXSNJRYHRODEFX-SNVBAGLBSA-N 260.341 1.168 0 50 CDAA COCc1noc(CNc2cc(C(C)C)ncn2)n1 95371755 KMLWABAZNHIWSF-UHFFFAOYSA-N 263.301 1.742 0 50 CDAA CCc1cccc(S(=O)(=O)NC2CC(C(=O)O)C2)c1 871637625 IXWRBSYRPKKUHC-UHFFFAOYSA-N 283.349 1.391 0 50 CDAA CC(C)c1c(C(=O)N2CCC2)cnc2[nH]nc(O)c12 2325805210 YNPPJBBCQNCQNO-UHFFFAOYSA-N 260.297 1.633 0 50 CDAA Cc1ncc(COC(=O)c2cnc3ccnn3c2C)o1 2325819500 GYLJKUAVYGEYSP-UHFFFAOYSA-N 272.264 1.691 0 50 CDAA COC(=O)c1[nH]c(C)cc1NC(=O)Cc1ccncc1F 2325865065 LPFLCOORJVMKPB-UHFFFAOYSA-N 291.282 1.825 0 50 CDAA COc1cc(CN2CCC[C@@H](O)C2)cc2c1OCO2 210510 ZLADRTNSAUIYGW-LLVKDONJSA-N 265.309 1.381 0 50 CDAA COC[C@H](O)C[S@@](=O)Cc1ccc(Cl)cc1 272083 OZUFXQNJHJMIKD-MEDUHNTESA-N 262.758 1.596 0 50 CDAA COc1ccc(NC(=O)[C@@H]2CCCO2)c(OC)c1 375664 LUOYTQHKFPCKMG-NSHDSACASA-N 251.282 1.821 0 50 CDAA CO[C@]1(C)C[C@H](N(C)C[C@@H](O)Cn2cccn2)C1(C)C 247194231 BVTDFVLZXCWEKV-VNHYZAJKSA-N 281.400 1.379 0 50 CDAA CCN(CC)CCOC(=O)c1ccc2c(c1)OCCO2 4104421 ROMJBMNWJJIGNY-UHFFFAOYSA-N 279.336 1.956 0 50 CDAA Cc1cc(C(=O)O)ccc1NC(=O)CCCC(=O)O 2871133 HXYAOKQYKHLGLQ-UHFFFAOYSA-N 265.265 1.887 0 50 CDAA COC(=O)[C@@H]1C(=O)CC(=O)C[C@H]1c1ccc(OC)cc1 100324561 TVZUMOMYNHRQPO-JSGCOSHPSA-N 276.288 1.500 0 50 CDAA CCN1C(=O)C[C@H](Sc2ccccc2N)C1=O 101291840 SDPFOPRNKPFYNU-JTQLQIEISA-N 250.323 1.508 0 50 CDAA CC(C)(C)OC(=O)N1CCC(NC2COC2)CC1 67802910 SRLOABIBNBVMQB-UHFFFAOYSA-N 256.346 1.374 0 50 CDAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2scnc2Cl)C1 328596308 FOSVNUOTKBKLPZ-HTQZYQBOSA-N 273.789 1.996 0 50 CDAA CCc1cc(CN(C)C(=O)C(=O)c2ccco2)on1 67868177 SMMMRHAHKRGDHD-UHFFFAOYSA-N 262.265 1.671 0 50 CDAA O=C(O)C[C@H]1COCCN1Cc1ccc2[nH]ccc2c1 72133427 BSZVGQPHMNRXBZ-ZDUSSCGKSA-N 274.320 1.843 0 50 CDAA CN1CCO[C@H](CN(CC2CC2)C(=O)C2CC=CC2)C1 328623655 CAXQBKSYJVMJHV-HNNXBMFYSA-N 278.396 1.522 0 50 CDAA COC(=O)c1ccc(OCCn2nnnc2C)c(Cl)c1 123223120 DQEKERBVWVWAHV-UHFFFAOYSA-N 296.714 1.501 0 50 CDAA C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H](c2ccsc2)O1 329593078 ZOANOZNAMOSWJE-JOYOIKCWSA-N 292.364 1.479 0 50 CDAA CCc1nnc(CN(C)c2ncnc3[nH]ccc23)o1 67654164 KEDUYNKLPWJBDE-UHFFFAOYSA-N 258.285 1.540 0 50 CDAA O=C(Nc1ccccc1)c1nc(-c2cocn2)no1 350878272 NKIALDQHLCUIRX-UHFFFAOYSA-N 256.221 1.977 0 50 CDAA C[C@@H](Cn1ccnc1)NCc1ccc2nonc2c1 67563158 QFKLWOVHYMYTJF-JTQLQIEISA-N 257.297 1.598 0 50 CDAA CC[C@H](C(=O)N(C)C)N(c1cccc(C)c1)S(C)(=O)=O 67613660 HABGKSYKTMHROU-CYBMUJFWSA-N 298.408 1.628 0 50 CDAA COCc1cccc(C(=O)N2CCOC[C@H]2CC(=O)O)c1 129316338 BHJRIMAITQYNOQ-CYBMUJFWSA-N 293.319 1.149 0 50 CDAA CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 37977324 VBHVOHJOTMCSBQ-UHFFFAOYSA-N 264.300 1.566 0 50 CDAA investigational CCN(Cc1cscn1)[C@@H]1CCS(=O)(=O)C1 77408016 HBZXJQHDGGOODZ-SNVBAGLBSA-N 260.384 1.152 0 50 CDAA CC[C@](NC(=O)c1cccc(C(=O)O)c1)(C(N)=O)C(C)C 263436303 ORDNBYUCPOXIKE-OAHLLOKOSA-N 292.335 1.405 0 50 CDAA CCOC(=O)c1nnc(C(=O)Nc2nnc(C)s2)s1 34927249 OMISVNHCYXTZOO-UHFFFAOYSA-N 299.337 1.127 0 50 CDAA CN(C)C(=O)Cc1ccc(NC(=O)CCC(=O)O)cc1 30831380 TVAZPBWVFQQTFH-UHFFFAOYSA-N 278.308 1.121 0 50 CDAA CC(C)OCCCC(=O)N1CCC[C@](F)(CO)C1 376571576 BSPPYRQSWLBIKL-CYBMUJFWSA-N 261.337 1.515 0 50 CDAA Cc1cnn(CCC(=O)N2CCC3(CCNCC3)CC2)c1 71551706 DKOTUOVVSTUAJK-UHFFFAOYSA-N 290.411 1.574 0 50 CDAA O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1ccon1 288703994 UUSNGEWZEYNYNP-MRVPVSSYSA-N 277.246 1.431 0 50 CDAA CCOC(=O)CCN1CCCC[C@@H]1C(=O)OCC 72589716 SNRCNAJPIJLHSH-LLVKDONJSA-N 257.330 1.357 0 50 CDAA CC[C@@H](C(=O)NCCSc1nc(C)n[nH]1)n1cccn1 223549268 PTDBYGIFCUPBLE-JTQLQIEISA-N 294.384 1.169 0 50 CDAA O=C(C[C@@H]1CCCOC1)NCC(=O)Nc1nccs1 426374131 FUJGNMAFNCOKMB-VIFPVBQESA-N 283.353 1.015 0 50 CDAA CCCc1nc(N2CC[C@@]3(CCCN(C)C3=O)C2)no1 426726684 BMWBDDOKYBDKGD-AWEZNQCLSA-N 278.356 1.471 0 50 CDAA c1cc(CN2CCN([C@H]3CCNC3)CC2)c2cc[nH]c2c1 426596668 WKGWSZZNEGINQD-HNNXBMFYSA-N 284.407 1.647 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1C1CC1 91643911 VTASCNPNQOTHOK-QWHCGFSZSA-N 291.351 1.233 0 50 CDAA Cc1nc(C)c(CC(=O)N2CC=C[C@H]2C(=O)O)s1 426401840 MRKHQOBYLHIPEM-VIFPVBQESA-N 266.322 1.154 0 50 CDAA Cc1cnc([C@H](C)NC(=O)c2ccnn2C(C)C)[nH]1 426429079 ZVVXBFUAPMZOMO-JTQLQIEISA-N 261.329 1.987 0 50 CDAA O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc2nccn2c1 91617073 WZULLJPAHXXBGM-GOEBONIOSA-N 293.326 1.722 0 50 CDAA CCCn1cc(-c2nc3c([nH]2)CCCNC3=O)cn1 95525597 LBDMZXIEFVMAQQ-UHFFFAOYSA-N 259.313 1.359 0 50 CDAA CCCNC(=O)[C@@H](C)n1ccc2ncccc2c1=O 95352847 ATEGGBDCAYDRON-SNVBAGLBSA-N 259.309 1.484 0 50 CDAA CN(Cc1ccc(OCC(=O)O)cc1)Cc1cc[nH]n1 97797678 JSNFJTMOSWSVCY-UHFFFAOYSA-N 275.308 1.505 0 50 CDAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cc2c(s1)CCCC2 91364551 UNSPMFAIRANJCT-JTQLQIEISA-N 297.401 1.667 0 50 CDAA Cc1nc([C@H](C)NS(=O)(=O)c2cnn(C)c2)cs1 330633868 AXVKEBSMDMZQEV-ZETCQYMHSA-N 286.382 1.225 0 50 CDAA OCCn1ncnc1CCN1CCCCCCC1 91973699 UWIQPQOUDSAOAL-UHFFFAOYSA-N 252.362 1.079 0 50 CDAA c1nc([C@@H]2COCCO2)n(-c2ccc3c(c2)OCCO3)n1 96149693 HAJNZKMBKCXTKD-ZDUSSCGKSA-N 289.291 1.126 0 50 CDAA CCCCn1ncnc1Cn1[nH]c2ccccc2c1=O 91595822 DJKHVGPUNDJTQD-UHFFFAOYSA-N 271.324 1.770 0 50 CDAA CCSCC(=O)NCCn1nc(C)c(CC)c1C 244795533 RICCWZXZMUFFNE-UHFFFAOYSA-N 269.414 1.932 0 50 CDAA Cc1nccn1CCN(C)Cc1nc(-c2cccnc2)no1 244858634 VPAHQZCEDMFNCP-UHFFFAOYSA-N 298.350 1.769 0 50 CDAA COCc1nc(CN(C)[C@H](C)c2ccncn2)no1 244811600 SHOVNJZCKDCERU-SECBINFHSA-N 263.301 1.199 0 50 CDAA CCN1CCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)CC1 623174455 BORYYTFZLVVZSQ-YPMHNXCESA-N 276.384 1.240 0 50 CDAA COc1cncnc1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 297319667 CLYHYYJSZXYEQT-GDPRMGEGSA-N 292.339 1.420 0 50 CDAA C[C@@H](Cc1cccs1)C(=O)N1CCOC[C@H]1C(=O)O 299747166 CFZQSLGCRGQMND-ONGXEEELSA-N 283.349 1.239 0 50 CDAA Cn1ncc(C(=O)NC[C@@H]2CCc3ccccc32)c1N 184458361 QFTGRFSDBVOSQC-NSHDSACASA-N 270.336 1.462 0 50 CDAA O=C(NC1CCN(c2ccccc2F)CC1)[C@H]1C=CCN1 534642762 HTDDCAAQRQAWPI-CQSZACIVSA-N 289.354 1.439 0 50 CDAA O=C(NCc1cc(C2CC2)on1)c1ccc(O)nc1 534642945 UOPQUZCFYWYHLE-UHFFFAOYSA-N 259.265 1.583 0 50 CDAA Cn1ccc2ccc(C(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)cc21 534650593 UCTAEHGPSCLSEQ-ZIAGYGMSSA-N 297.358 1.728 0 50 CDAA Cc1nnc(CN2CCCN(C)C3(CCNCC3)C2)s1 534650507 PLKJWZGANNGMCU-UHFFFAOYSA-N 295.456 1.106 0 50 CDAA O=c1ccc(CO)nn1Cc1cccnc1C(F)(F)F 629384281 LKBSDKIAQJOXEP-UHFFFAOYSA-N 285.225 1.198 0 50 CDAA Cc1cc(N)n(CC(=O)N[C@@H](C)c2nnc(C(C)C)o2)n1 299795549 OPSKUROEVHBKIC-VIFPVBQESA-N 292.343 1.158 0 50 CDAA Cc1ocnc1C(=O)N[C@H](c1ncnn1C)C(C)C 299782367 MZPDPFIFAPZBTL-VIFPVBQESA-N 263.301 1.239 0 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c1cc(-c2noc(C3CC3)n2)nc(N2CCOCC2)c1 1875318417 OSXUKWNVXAIXGC-UHFFFAOYSA-N 272.308 1.846 0 50 CDAA C=CC(=O)N[C@H](C)[C@@H](c1ccccc1)N1CCOCC1 1875376250 PZEXAGTXHVJZMK-CJNGLKHVSA-N 274.364 1.751 0 50 CDAA CC[C@@H](C(=O)N(C)CC(C)(C)CO)n1cccc1 952868474 POFFLFGIWSZALT-LBPRGKRZSA-N 252.358 1.916 0 50 CDAA COC(C)(C)C(=O)Nc1cccc(NC(=O)CN(C)C)c1 952990830 IWGDKMFJCHTUSX-UHFFFAOYSA-N 293.367 1.550 0 50 CDAA Cc1cc(C)c(C(=O)Nc2cccc(O)c2)c(=O)[nH]1 133522682 UBSOWFVNMLDWMR-UHFFFAOYSA-N 258.277 1.950 0 50 CDAA CCOc1cc(C(=O)O)oc(=O)c1Br 1772715393 KRBYRSOSKRDGFH-UHFFFAOYSA-N 263.043 1.499 0 50 CDAA CN(C)[C@@]1(C)CCN(C(=O)[C@H]2CCc3cccc(O)c32)C1 1775999943 ZATQHAAUPZEQNW-GUYCJALGSA-N 288.391 1.975 0 50 CDAA Cc1cc2ncn(C[C@@H](O)C3(O)CCC3)c2cc1C 899866567 LRBFPIMFKKWBAE-CQSZACIVSA-N 260.337 1.929 0 50 CDAA C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCCCN3)c2N1 1417796984 XULXYFVSLOTUEO-PSASIEDQSA-N 299.325 1.634 0 50 CDAA COC(=O)[C@@H]1C[C@H](O)CN(C(=O)OCc2ccccc2)C1 40845032 LOGZOMIRLZGSSW-OLZOCXBDSA-N 293.319 1.179 0 50 CDAA in-vitro CCn1ccc(C(=O)N2C[C@H](C)[C@@](O)(C(C)C)C2)cc1=O 1073383642 DFIBYSNPYXOWAJ-LRDDRELGSA-N 292.379 1.347 0 50 CDAA CC(C)n1cncc1CN1CCCC[C@@H]1C(=O)O 91273973 NXNPXNFIYMZNCM-GFCCVEGCSA-N 251.330 1.903 0 50 CDAA O=C(N[C@H]1CN2CCC1CC2)[C@H]1CCNc2ccccc21 167327887 OGEWVOOCASTYIW-HOCLYGCPSA-N 285.391 1.796 0 50 CDAA O=C(NCCc1ccccc1F)N[C@@H]1C[C@H]2OCC[C@@H]12 1074517164 MRIMPNRBFHBXKD-IACUBPJLSA-N 278.327 1.845 0 50 CDAA CC(=O)N1CCC2(CC1)C[C@H]2N(C)Cc1nccs1 275623140 JFODUDQIIUXWSW-GFCCVEGCSA-N 279.409 1.976 0 50 CDAA C[C@@H]1C[C@@H](C(=O)N2CCC(c3nnc(O)o3)CC2)[C@@H](C)O1 632882514 ZMRPOEVOZDSPCE-FXPVBKGRSA-N 295.339 1.295 0 50 CDAA C[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@@H](C)O1 276413023 VWJCFTFZMNRMNM-OUAUKWLOSA-N 279.340 1.163 0 50 CDAA Cc1cc(C)n2nc(SC[C@H]3COCO3)nc2n1 408522426 ITLYZLKKYCNFIY-SECBINFHSA-N 266.326 1.206 0 50 CDAA Cn1cncc1C(=O)Nc1cccc(N2CCCNC2=O)c1 277712046 OYMDGIOMIDHODI-UHFFFAOYSA-N 299.334 1.592 0 50 CDAA C[C@@H](NCCNC(=O)c1ccn[nH]1)c1ccc(F)c(F)c1 170072100 HSAWFHVYNFXZHA-SECBINFHSA-N 294.305 1.769 0 50 CDAA Cn1ccc(C(=O)N2CCc3ccccc3[C@H]2CO)cc1=O 170084001 GPLKRZZYQPOHCE-OAHLLOKOSA-N 298.342 1.117 0 50 CDAA C[C@H]1CN(CC[S@@](=O)c2ccccc2)C[C@@H](C)O1 170617581 DOIFQUFSQPZMCU-FHSNZYRGSA-N 267.394 1.903 0 50 CDAA CC1(C)CC(=O)C(C(=O)NCc2ccco2)C(=O)C1 170625063 ACIZFGUAEZNGBK-UHFFFAOYSA-N 263.293 1.470 0 50 CDAA CCc1cnc(CC(=O)N2CCOC[C@@H](C3CCC3)C2)[nH]1 635973498 PUOOUZBLSISQNE-ZDUSSCGKSA-N 291.395 1.790 0 50 CDAA CCCc1cc(C(=O)N2CCNC(=O)[C@H]2CC(C)C)[nH]n1 188989185 HYCFIZDTLQZARA-CYBMUJFWSA-N 292.383 1.349 0 50 CDAA Cn1nccc1NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 189465928 FTHMCDFKHLQOQM-PWSUYJOCSA-N 280.372 1.993 0 50 CDAA CC(C)CN1CCO[C@H](CNCc2cocn2)C1 192280863 JJSIJXKSZCHBIP-CYBMUJFWSA-N 253.346 1.121 0 50 CDAA CC(=O)c1ccc(NC(=O)N2CCOCC3(CC3)C2)nc1 652886046 FUUVYTIFVXSCAV-UHFFFAOYSA-N 289.335 1.929 0 50 CDAA O=C(NCCO[C@@H]1CCCCO1)Nc1ccc(F)cn1 585086433 AIGKHNYHFTVFJP-GFCCVEGCSA-N 283.303 1.885 0 50 CDAA Cn1ncc2c(N3CC(Nc4ccc(F)cc4)C3)ncnc21 585092917 UHGFNMFLINQOMR-UHFFFAOYSA-N 298.325 1.803 0 50 CDAA Cc1csc(=O)n1CCc1nc(-c2cnc[nH]2)no1 585120242 BGPBMDUVOALOLC-UHFFFAOYSA-N 277.309 1.234 0 50 CDAA CC(=O)c1nc(NC(=O)[C@H]2CCCO2)sc1C 585124486 FMSKFYHVYLGNCT-MRVPVSSYSA-N 254.311 1.772 0 50 CDAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1C[C@@H](O)[C@H](F)C1 1506431554 OSNBNDOFGQGKHG-DGCLKSJQSA-N 275.283 1.232 0 50 CDAA CO[C@H]1COC[C@@H]1Nc1nnc(C)c2ccccc12 1529168225 ZUYXNJARCWAKDI-STQMWFEESA-N 259.309 1.764 0 50 CDAA C[C@H]1C[C@@H](C(=O)O)CCN1C(=O)CC[C@H]1CCCO1 1857532377 JEHUANRAPDEVCE-SDDRHHMPSA-N 269.341 1.657 0 50 CDAA Cc1c(C(=O)N(C)[C@H](C)c2ccncn2)ccn1C 1857692182 RTUBLBARJSDHOQ-LLVKDONJSA-N 258.325 1.957 0 50 CDAA Cc1ccc(F)c(CN(CCO)Cc2cncn2C)c1 1704337090 UOAQGKDKJHBGKP-UHFFFAOYSA-N 277.343 1.862 0 50 CDAA CC(C)(C)n1cnc(C(=O)N[C@]2(C)CCCOC2)n1 408353439 BLAIPSDMOAAJHY-CYBMUJFWSA-N 266.345 1.332 0 50 CDAA CC[C@H](NC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2)[C@H](O)C(=O)OC 1615546916 IIQMGBSGSLMYAU-VSBZFQJLSA-N 283.368 1.241 0 50 CDAA COc1ccc(N(C)C(=O)C2(C(=O)O)CC2)cc1F 119003787 PTPDFALMMQSRQL-UHFFFAOYSA-N 267.256 1.662 0 50 CDAA Cc1ccc(S(=O)(=O)N(C)Cc2cn(C)nn2)cc1C 548282808 ALNARVOIPHVBHU-UHFFFAOYSA-N 294.380 1.253 0 50 CDAA Cc1ccc(C(=O)N[C@H]2CCCn3c(C)nnc32)nc1C 1615050239 QTDQSFAYTNLXIR-LBPRGKRZSA-N 285.351 1.863 0 50 CDAA ON1[C@H](c2ccccc2)C[C@@]2(O)c3nonc3CC[C@H]12 5204519 WLHHCRHOUSLOPF-OBJOEFQTSA-N 273.292 1.408 0 50 CDAA CCCCNS(=O)(=O)c1cccc(C(=O)NC(C)C)c1 12866254 KBAGVLQVYUKKPC-UHFFFAOYSA-N 298.408 1.903 0 50 CDAA COc1nscc1Cn1cnc2c(N(C)C)ncnc21 1651799883 VTSWCBPAPWHPPK-UHFFFAOYSA-N 290.352 1.406 0 50 CDAA CN1CCC(NC(=O)COc2ccc(F)cc2F)CC1 16580051 QWBNACRFSJQPAI-UHFFFAOYSA-N 284.306 1.554 0 50 CDAA CN(Cc1cc[nH]n1)c1cc(C(N)=O)c2ccccc2n1 1857676034 BPAIWWAIEYUXEE-UHFFFAOYSA-N 281.319 1.693 0 50 CDAA C[C@@H]1CCN(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1 336440497 GKKIXBZAYSJPJH-KGLIPLIRSA-N 293.411 1.783 0 50 CDAA COc1ccc(C(=O)N2CC[C@@](OC)(C(=O)O)C2)c(F)c1 630249023 KKIWSROFOYWFBY-AWEZNQCLSA-N 297.282 1.150 0 50 CDAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1cccc3cc[nH]c13)C2 1704313130 GGFXAIOCCWYQCZ-CABCVRRESA-N 299.374 1.457 0 50 CDAA CCc1ncc(CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)o1 930317230 RUKGIEUAUQBHQO-JTQLQIEISA-N 276.344 1.115 0 50 CDAA CCN(CC)CCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101171360 FVRBUVBHHPPIPL-IGQOVBAYSA-N 276.380 1.525 0 50 CDAA c1cnn(CCCN2CCN(C3CCCC3)CC2)c1 252510102 ZBKMQBSLQCKCNU-UHFFFAOYSA-N 262.401 1.833 0 50 CDAA Nc1nc(NCc2c(F)cccc2F)c2cn[nH]c2n1 32580857 SCYDXVBSTXBZSZ-UHFFFAOYSA-N 276.250 1.825 0 50 CDAA CNC(=O)c1cccc(NC(=O)CCCC(=O)O)c1C 37795558 CZQNYVUSAZKHJE-UHFFFAOYSA-N 278.308 1.548 0 50 CDAA Cc1ncsc1CN(C)C(=O)[C@@H]1CC(F)(F)CN1 263223593 MJFOCXAPMFTLMJ-QMMMGPOBSA-N 275.324 1.407 0 50 CDAA Cc1cncc(C(=O)N2C[C@H](C(=O)O)CC[C@@H]2C)c1 263533167 XSWHCXJWYQGKLN-WDEREUQCSA-N 262.309 1.715 0 50 CDAA CCOCCC(=O)N1CCC[C@@H](CC(=O)O)CC1 299742366 HJIZKJBSYWDKBW-LLVKDONJSA-N 257.330 1.516 0 50 CDAA CN(Cc1ccnn1C)C[C@H]1CCc2nccn2C1 328625319 CZJSWCDTDPTTNQ-GFCCVEGCSA-N 259.357 1.311 0 50 CDAA COc1cccc(CNC(=O)N2CC[C@@H](CN)C2)c1 426517676 VBEDWGGJPZKASV-LBPRGKRZSA-N 263.341 1.185 0 50 CDAA CN(C)C[C@@H](O)CN=c1ccc2cc(Cl)ccc2[nH]1 534580336 AAWSOJWYBMPHMM-LBPRGKRZSA-N 279.771 1.645 0 50 CDAA C[C@@H]1O[C@@H](C)[C@@H](C(=O)N(C[C@@H](C)C(=O)O)C2CC2)[C@@H]1C 630160603 XYZPJAWRLIFTAG-IIEKFROSSA-N 283.368 1.758 0 50 CDAA CN(C)c1nccc(=NCc2cnc(C3CC3)o2)[nH]1 560249119 XFBSBYFVPSVOIC-UHFFFAOYSA-N 259.313 1.442 0 50 CDAA CO[C@]1(CO)CCCN(C[C@@H](O)c2ccc(C)cc2)C1 852412112 NWYSCLNKSJNEDA-HZPDHXFCSA-N 279.380 1.502 0 50 CDAA Cn1cnc2cnc(N3CC[C@@H](c4cc[nH]n4)C3)nc21 2100482588 KIBYWAHGPHNWFM-SECBINFHSA-N 269.312 1.080 0 50 CDAA O=C(O)[C@@H]1CN(Cc2nc3ccccc3s2)CC[C@H]1O 2100483165 WDMHPQZEBJTNMS-MWLCHTKSSA-N 292.360 1.564 0 50 CDAA Cc1nc(O)ccc1C(=O)N1C[C@]23CC[C@@]2(COC3)C1 2325766664 PRPJNOSROUFPKU-GJZGRUSLSA-N 274.320 1.348 0 50 CDAA CSc1n[nH]c(=NC(=O)N2C[C@H]3CCC[C@@H]32)s1 2325781966 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CCOc1ccc(NC(=O)NC[C@H]2CCCN(C)C2)cn1 151461418 LTXATELWLKMRPJ-GFCCVEGCSA-N 292.383 1.944 0 50 CDAA COC[C@@H]1CN(C(=O)c2cccnc2C)CC(C)(C)O1 285621826 VYOSQDAOXXLUAT-LBPRGKRZSA-N 278.352 1.656 0 50 CDAA Cc1ccc2nc(CNC(=O)[C@](C)(O)C3CCC3)cn2c1 362614760 GUAACIAYSBWUHK-MRXNPFEDSA-N 287.363 1.810 0 50 CDAA O=C(NCc1ccccc1)N1CC[C@@]2(CCNC2)C1 261555741 VFGLQJRTJXNUFI-OAHLLOKOSA-N 259.353 1.582 0 50 CDAA CC(C)[C@H](O)C1(CN[C@@H](C)c2ccc(=O)[nH]n2)CC1 286124449 NTXVVQNTRNADLK-GWCFXTLKSA-N 265.357 1.218 0 50 CDAA O=C(CCc1ccccc1C(=O)O)N[C@@H]1CCCOC1 262281033 ZNZSIBBWWVPGBP-GFCCVEGCSA-N 277.320 1.613 0 50 CDAA Cc1cc(C)n(-c2ccc(N3C[C@@H](O)C4(CC4)C3)nn2)n1 375971171 ZKRISKLAANFGNJ-GFCCVEGCSA-N 285.351 1.240 0 50 CDAA CSc1ncc(CNC(=O)c2cccc(C)n2)n1C 219743210 ZNVDRLHQHHXSED-UHFFFAOYSA-N 276.365 1.775 0 50 CDAA CN(C(=O)[C@H]1CCCOC1)[C@@H](Cc1ccccc1)C(=O)O 263367666 AKVJPGWBBGTXDU-KBPBESRZSA-N 291.347 1.567 0 50 CDAA COCc1noc(CN2CC[C@]3(CCCO3)CCC2=O)n1 72144312 IFZMXJQRSLZWMC-AWEZNQCLSA-N 295.339 1.278 0 50 CDAA CCCc1cc(C(=O)N2CCC[C@H](N)CC2)no1 72153366 DNTXCEZEKYNEIY-JTQLQIEISA-N 251.330 1.581 0 50 CDAA CN1CCC(NC(=O)CCc2ccccc2F)CC1 47837480 XIYAGACNMPANSS-UHFFFAOYSA-N 264.344 1.969 0 50 CDAA CN(C)[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1O 222769077 DDBZPAPLCNUTLQ-IRXDYDNUSA-N 298.386 1.516 0 50 CDAA COc1ccc(CC(=O)NCCc2ncc[nH]2)c(OC)c1 135486256 ZRUJYZIFRGNBHH-UHFFFAOYSA-N 289.335 1.328 0 50 CDAA CC1(C)OC[C@H]2C[C@@]21C(=O)N1CC(OC(F)F)C1 613766628 RBSPSXCQLCKJOX-KRTXAFLBSA-N 261.268 1.252 0 50 CDAA Cc1c(C(=O)N2CC[C@@H](C(=O)O)C2)cnn1C(C)(C)C 178265299 GDWFAGWMBOOTAG-SNVBAGLBSA-N 279.340 1.493 0 50 CDAA CCOc1cc(S(=O)(=O)NC[C@@H](C)O)ccc1Cl 41105598 PWBNBZDHIJWBQL-MRVPVSSYSA-N 293.772 1.398 0 50 CDAA O=C(C[C@H]1CCOC1)NCc1nnc(-c2ccccc2)o1 426615348 BMEFXPBWHHTMDD-LLVKDONJSA-N 287.319 1.779 0 50 CDAA COc1cccc(CC(=O)N[C@@H](C)Cn2cncn2)c1 221356902 AWANAEWOGJLMKY-NSHDSACASA-N 274.324 1.034 0 50 CDAA O=C(NCCCn1ccnn1)c1ccc2c(c1)CCCO2 426693777 OOHLKMXICGBGIR-UHFFFAOYSA-N 286.335 1.423 0 50 CDAA COc1ccc(-c2ccc(N(C)CCO)nn2)cc1F 97653935 FLWYAMMGQGLYJK-UHFFFAOYSA-N 277.299 1.720 0 50 CDAA CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239159637 MNKSUDDNUOWWMB-FBDQPXRJSA-N 265.309 1.127 0 50 CDAA CC(C)N(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 163424817 DNUHEOSIRLZJPV-UHFFFAOYSA-N 277.368 1.554 0 50 CDAA CC(C)N1CCO[C@@H](Cc2nc(-c3cccnn3)no2)C1 95526786 IBHIHWYBZGDSLX-NSHDSACASA-N 289.339 1.178 0 50 CDAA CC(C)(C)c1nnc(N2CCC[C@H](C(N)=O)C2)o1 91486593 OWMNZZITSLBICH-QMMMGPOBSA-N 252.318 1.069 0 50 CDAA Cc1ccc2[nH]c(C(=O)N[C@@H]3CCNC3)c(C)c2c1 91595872 UPHWDHLXFCRNLB-LLVKDONJSA-N 257.337 1.876 0 50 CDAA CCc1ncc(C(=O)NCCCn2nc(C)nc2C)cn1 95367861 DTXZYIOHLFYVJS-UHFFFAOYSA-N 288.355 1.067 0 50 CDAA C[C@H](Cc1ccccc1F)C(=O)N1CC[C@H](N)C1 237558801 CMIHSVIIUVJQBN-PWSUYJOCSA-N 250.317 1.564 0 50 CDAA O=C1C[C@@H](C(=O)NCc2cccnc2)C2(CCCC2)O1 97602190 FLGHFXOUPMEPHL-LBPRGKRZSA-N 274.320 1.574 0 50 CDAA C[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)O)Oc1ccc(F)cc1 268962267 ZVYCKEMZSDGNDU-GGZOMVNGSA-N 281.283 1.430 0 50 CDAA C1CCc2c(CCc3nc([C@H]4CCOC4)no3)n[nH]c2C1 96166036 LLZCWGUHMSZEQP-JTQLQIEISA-N 288.351 1.961 0 50 CDAA C[C@H](c1ccncn1)N(C)CC(=O)NCc1cccs1 244708041 KMNFXLHTYMUFSF-LLVKDONJSA-N 290.392 1.847 0 50 CDAA CN(CCC(=O)NCc1ccccc1F)CC1(C)COC1 244742260 OENCRJOARAIBNM-UHFFFAOYSA-N 294.370 1.800 0 50 CDAA Cc1nc(NCc2nnc(C)s2)cc([C@H]2C[C@@H](N)C2)n1 244874141 WVFZTDLIZMFDOQ-AOOOYVTPSA-N 290.396 1.762 0 50 CDAA CC(C)CNC(=O)CN(C)[C@@H](C)c1ccncn1 244626760 FSHOALSFBJQRPC-NSHDSACASA-N 250.346 1.242 0 50 CDAA O=c1c(Br)cccn1C1CCOCC1 521396023 FVIJODBCPBQYOX-UHFFFAOYSA-N 258.115 1.962 0 50 CDAA CC(C)(C)N1C[C@@H](C(=O)NCC2(O)CCCCC2)CC1=O 359248834 GZGAKCAGINJIOL-LBPRGKRZSA-N 296.411 1.445 0 50 CDAA CCc1n[nH]cc1C(=O)NCCCOC1CCN(C)CC1 299793516 GLCTXWZZUJLSOW-UHFFFAOYSA-N 294.399 1.203 0 50 CDAA CC(C)(CC(=O)NC[C@]1(O)CCNC1)c1ccccc1 299766153 BTESXVCAQSRNPR-INIZCTEOSA-N 276.380 1.195 0 50 CDAA CN(C)CCC(=O)NCc1nn(C)c2cccc(Cl)c12 299757529 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CKKLRNSRHFAIKH-UHFFFAOYSA-N 270.336 1.862 0 50 CDAA CN(C)C(=O)c1cncc(NC[C@H]2CCCCN2C)n1 670445956 RBHVIKAZKUQLBR-LLVKDONJSA-N 277.372 1.075 0 50 CDAA C[C@@]1(C(=O)O)CCN(C(=O)c2cnn(C(F)F)c2)C1 630138942 ANWLWFGBNLHWQH-LLVKDONJSA-N 273.239 1.215 0 50 CDAA C[C@H]1Cn2nc(C(=O)O)cc2CN1C(=O)Cc1ccccc1 1551454488 AXXONOJKNZJZDS-NSHDSACASA-N 299.330 1.555 0 50 CDAA CC1(C)CN(S(=O)(=O)c2cnn3ccccc23)CCO1 952994513 WGJQUNLZGPRBAB-UHFFFAOYSA-N 295.364 1.134 0 50 CDAA CCOC(=O)c1[nH]c(C2CCN(C(=O)OC)CC2)nc1C 1875275492 CBVMLOOGHXQFKS-UHFFFAOYSA-N 295.339 1.841 0 50 CDAA CCC1(O)CN(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C1 1875293954 IVAIOIGFCIFJCI-DTWKUNHWSA-N 279.340 1.029 0 50 CDAA c1cc(CN=c2[nH]nc3n2CCCC3)n(C2CCC2)n1 1875283856 FURAFWGKTIXVBY-UHFFFAOYSA-N 272.356 1.570 0 50 CDAA Cc1[nH]nc2c(C(=O)N(C)Cc3ccnn3C)cccc12 1875270778 WSTLQFFBPIVNNX-UHFFFAOYSA-N 283.335 1.877 0 50 CDAA COCC1(C(=O)NC/C=C/C(=O)OC)CCCCC1 1875333143 DCFHWEHYJNKXGH-VOTSOKGWSA-N 269.341 1.429 0 50 CDAA C=CC(=O)N[C@@H](CCN1CCOCC1)c1ccc(F)cc1 1875375785 IICHFKNLPVCXEX-HNNXBMFYSA-N 292.354 1.891 0 50 CDAA CO[C@@H]1CCOC[C@H]1NC(=O)c1coc2c1C(=O)CCC2 889187595 BBNGLBNXOKDOIN-ZYHUDNBSSA-N 293.319 1.332 0 50 CDAA CC(C)[C@@H]1NC(=O)[C@@]12CCCN2C(=O)c1ccccc1 958642873 KHDDWZCICAXTQC-XJKSGUPXSA-N 272.348 1.816 0 50 CDAA Cc1nc(C)c(C)c(N2CCC[C@H](c3cnn[nH]3)C2)n1 1775987602 HJUTZLRXUGUXIK-LBPRGKRZSA-N 272.356 1.904 0 50 CDAA CO[C@@H](C)CN1CCC[C@H](Cc2noc(C)n2)C1 248427568 OTPPTLOLDXYZLM-CMPLNLGQSA-N 253.346 1.667 0 50 CDAA COc1ccc2c(c1)OC[C@@]1(C(=O)O)CN(C)C[C@@H]21 1565528020 DOFQITBUYGQVGX-FZMZJTMJSA-N 263.293 1.188 0 50 CDAA Cc1cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)ccc1Cl 135575725 AUWQMLWXDYWPIX-CMPLNLGQSA-N 283.755 1.870 0 50 CDAA CS[C@H](C)CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275718635 SWOGJVNOXITYBY-VWYCJHECSA-N 298.412 1.301 0 50 CDAA Cc1n[nH]c(C)c1CC(=O)N1CC2(CCOCC2)C[C@@H]1C 585089905 IFKJSYSOAFTFEL-NSHDSACASA-N 291.395 1.987 0 50 CDAA Cc1cccc(NC(=O)N[C@H]2C(=O)OCC2(C)C)n1 585119834 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CN(C)CC(C)(C)NS(=O)(=O)c1ccc(F)c(F)c1 416509199 QOKQODQADIXTDL-UHFFFAOYSA-N 292.351 1.583 0 50 CDAA COCc1nc(C)cc(N2CCN(CCCF)CC2)n1 521398614 UNAAHGWINVKOAZ-UHFFFAOYSA-N 282.363 1.413 0 50 CDAA COCc1ncsc1C(=O)N1CCC[C@](C)(O)CC1 331671676 RUUGTWQBEBOYPB-ZDUSSCGKSA-N 284.381 1.667 0 50 CDAA COc1nccnc1N[C@H]1COC[C@H]1Cc1ccncc1 1704301034 HFBHICHQJADGKZ-OLZOCXBDSA-N 286.335 1.550 0 50 CDAA CC(C)(C)OC(=O)N1CCC(C(=O)NC2CC2)CC1 19415355 HDHRMBMUQBBAJI-UHFFFAOYSA-N 268.357 1.912 0 50 CDAA in-vitro COc1cccnc1CNC(=O)[C@H](C)c1cnn(C)c1 1615590848 QFMUNAJJXNDNCE-SNVBAGLBSA-N 274.324 1.244 0 50 CDAA Cc1cc(CNC(=O)c2cnc3ccccc3n2)n[nH]1 219137194 AEHGCWQXLQXAEJ-UHFFFAOYSA-N 267.292 1.591 0 50 CDAA O=C(Cn1cc2ccccc2n1)N1CCC[C@@H]1C1(O)CC1 1772815287 FZEVKXKGOLANBK-CQSZACIVSA-N 285.347 1.552 0 50 CDAA CC(C)N1C[C@@H](CN2CCC(N)CC2)CCC1=O 1775982733 DFFQPKRFTZNJPB-GFCCVEGCSA-N 253.390 1.057 0 50 CDAA CNC(=O)C[C@H]1CCN(c2cc(C(C)C)ncn2)C1 1772702751 AKCHPNAQJDOZCY-LLVKDONJSA-N 262.357 1.562 0 50 CDAA Cc1c(O)nc(Nc2nc3ccccc3o2)[nH]c1=O 5634700 UWJXNZCLMWBIFC-UHFFFAOYSA-N 258.237 1.669 0 50 CDAA CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 5378598 JQKQHNYXRNFRPZ-NSHDSACASA-N 262.309 1.554 0 50 CDAA CSCCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 12207003 VWWFALHACOLCOF-LLVKDONJSA-N 280.397 1.315 0 50 CDAA Cc1ccc(NC(=O)[C@@H]2CC(=O)n3ncnc3N2)cc1C 13121933 QOHYXAYPOATJTA-NSHDSACASA-N 285.307 1.358 0 50 CDAA CC(C)(C)OC(=O)N[C@@]1(C(F)(F)F)CCCNC1=O 16158601 NIUWIGGGPOVCFV-JTQLQIEISA-N 282.262 1.722 0 50 CDAA COc1cccc(C(=O)NC2CCN(C)CC2)c1OC 16602523 RQSQHGNKOSWUGK-UHFFFAOYSA-N 278.352 1.528 0 50 CDAA Cc1ccc(-n2nnc(C(=O)NCCO)c2C2CC2)cc1 16648038 JETAIXGVAGLGPN-UHFFFAOYSA-N 286.335 1.175 0 50 CDAA Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2)n1 17972113 CUBRXBYVCDCAGT-UHFFFAOYSA-N 293.323 1.948 0 50 CDAA O=c1[nH]c2ccccc2n1CCc1nc(C2CC2)no1 19774220 AYRIHSJRMOAQSZ-UHFFFAOYSA-N 270.292 1.833 0 50 CDAA C[C@@H](O)c1nc(-c2cnc3cccnn23)n(C(C)(C)C)n1 1857670128 VFMNUHOSEZEZCN-SECBINFHSA-N 286.339 1.796 0 50 CDAA OC[C@@H]1[C@@H](c2ccccc2)[C@]12CN(c1ccncc1)C[C@H]2O 1857719554 PKSTULZHMHKDOX-BRSBDYLESA-N 296.370 1.655 0 50 CDAA C[C@H]1CN2C[C@@H](NC(=O)CCc3ccccc3)C[C@H]2CO1 1857725043 TVVVZEXSAMYWGF-BPUTZDHNSA-N 288.391 1.597 0 50 CDAA CCc1nccn1CCC(=O)Nc1cccn2nc(C)nc12 1875246068 HKYTZXKRYFQFIH-UHFFFAOYSA-N 298.350 1.825 0 50 CDAA CN1CCN(C[C@H](O)COC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105606605 AICFCFZWNLCFSD-VGWMRTNUSA-N 282.428 1.048 0 50 CDAA C[C@H]1COCCN(C(=O)c2ccc(-n3cccn3)cc2)C1 334327086 BZGATNNEXUPBLM-CYBMUJFWSA-N 285.347 1.981 0 50 CDAA Cc1cc(CNC(=O)N2C[C@@H](C(=O)O)C[C@@H](C)C2)ccn1 263161992 GGGGWNVFNSPNFY-MFKMUULPSA-N 291.351 1.642 0 50 CDAA CC(C)NC(=O)CN[C@H]1CCN(Cc2ccccc2)C1 35133261 LYFXREMNPVAKFQ-HNNXBMFYSA-N 275.396 1.375 0 50 CDAA Cc1cc(CNc2cn(-c3ccccc3)nn2)n[nH]1 1663504624 RDTQHPSYCIDZRH-UHFFFAOYSA-N 254.297 1.911 0 50 CDAA C[C@@H]1CCc2nc(C(=O)N3C[C@H]4COC[C@H]4C3)cn2C1 913790553 ZRNDKDGLKKNWNC-UTUOFQBUSA-N 275.352 1.184 0 50 CDAA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCOCC1 12380518 AZKVBHOLSWUUEA-SNVBAGLBSA-N 269.728 1.966 0 50 CDAA CC[C@H]1CN(C(=O)NCc2nn(CC)nc2C)CCCO1 824714089 XPNOELVEEYJCKP-LBPRGKRZSA-N 295.387 1.317 0 50 CDAA CC1(C)CN(Cc2c(F)cncc2F)CCS1(=O)=O 929824450 KGHQRJLITFQUNJ-UHFFFAOYSA-N 290.335 1.369 0 50 CDAA Cc1nc(N2CCN([C@@H](C)c3ncc(C)o3)CC2)n[nH]1 931627388 AKFQKNNJXYJULF-JTQLQIEISA-N 276.344 1.293 0 50 CDAA O=C(N[C@@H]1CCCNC1=O)c1ccc2[nH]ccc2c1 111277124 ATTFITXUMWUSTO-GFCCVEGCSA-N 257.293 1.176 0 50 CDAA CC1CCN(C[C@@H]2CCCN([C@H](C)C(=O)O)C2)CC1 236709852 NTCABUITIDBDLJ-KGLIPLIRSA-N 268.401 1.903 0 50 CDAA CNC[C@@H]1CCCN1C(=O)COc1ccccc1Cl 237089004 WMSLWOQQBOETLC-NSHDSACASA-N 282.771 1.929 0 50 CDAA CCCS(=O)(=O)N1CCN(C[C@@H]2CC=CCC2)CC1 49967590 QSUYKINLPPFIRE-CQSZACIVSA-N 286.441 1.700 0 50 CDAA NC[C@H]1CC[C@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 423732951 AYTYWDXUHVDVOL-KWQFWETISA-N 287.285 1.958 0 50 CDAA CC1(O)CCC(NC(=O)c2ccc(O)cc2F)CC1 703549061 MZPFLCVTDQBSAM-UHFFFAOYSA-N 267.300 1.955 0 50 CDAA O=C(O)c1nccnc1NCCCOC1CCCC1 584903899 RFFWTYKEDXFVMD-UHFFFAOYSA-N 265.313 1.936 0 50 CDAA CCN1CC[C@H](Nc2nc(C)c(C(=O)OC)s2)C1=O 708605117 HAZNPGLWVWQAKG-QMMMGPOBSA-N 283.353 1.271 0 50 CDAA O=c1c2c([nH]c3nc(C(F)(F)F)nn13)CCCC2 100128294 NHLOKGLMNHSCMW-UHFFFAOYSA-N 258.203 1.315 0 50 CDAA CC[C@@H]1CC[C@H](C(=O)O)N(S(=O)(=O)N(CC)CC)C1 2325798963 LOWZRBNPCJKJIB-GHMZBOCLSA-N 292.401 1.148 0 50 CDAA CN1C(=O)CCC[C@@H]1C(=O)Nc1n[nH]c2cc(O)ccc12 908334657 CNRMCQKMJJKWBR-LLVKDONJSA-N 288.307 1.218 0 50 CDAA O=S(=O)(Cc1ccccc1)NCc1ccncc1 29845 HCHYUCULUBVPKD-UHFFFAOYSA-N 262.334 1.701 0 50 CDAA CCN(CC)C(=O)CN1C(=O)c2ccccc2C1=O 273358 ZVTUEMFCWBYHRN-UHFFFAOYSA-N 260.293 1.151 0 50 CDAA CCOC(=O)CN1C(=O)CSc2ccccc21 259613 SVCWFHUVHSQFAD-UHFFFAOYSA-N 251.307 1.688 0 50 CDAA Cc1nonc1CC(=O)NCc1cccc2ncsc12 2356144950 TWOYXYITWVRJTQ-UHFFFAOYSA-N 288.332 1.847 0 50 CDAA CC(C)OC[C@H](O)CN1C(C)(C)CC(O)CC1(C)C 2841832 ZQXIPLZTOPFMPD-CYBMUJFWSA-N 273.417 1.786 0 50 CDAA C[n+]1cccc(C(=O)NCCOC(=O)Cc2ccccc2)c1 2880537 HIFCTBZRRYQNHY-UHFFFAOYSA-O 299.350 1.027 0 50 CDAA c1cn([C@@H]2CCN(Cc3ccn4ncnc4c3)C2)cn1 2356168405 BWJYQRHVWSLZHR-CYBMUJFWSA-N 268.324 1.373 0 50 CDAA Cc1sc2ncn(CCCC(=O)O)c(=O)c2c1C 4986507 HWKCDGTYEZTFRE-UHFFFAOYSA-N 266.322 1.940 0 50 CDAA COC(=O)C12[C@H]3CC[C@H]4C3C3[C@H]1CC[C@H]3C42C(=O)OC 101003024 JGUGJHZKZJSCIU-UPQAEXMBSA-N 276.332 1.631 0 50 CDAA O=Cc1cccc(OCCCCN2CCOCC2)c1 20327080 JPBYHDPTVUREPQ-UHFFFAOYSA-N 263.337 1.990 0 50 CDAA CCC(CC)C(=O)NCCNc1ccc(C)nn1 67613786 CQFDPRCWBYSKFM-UHFFFAOYSA-N 250.346 1.749 0 50 CDAA CCOc1ccnc(NCc2nc(-c3ccccn3)no2)n1 65535371 VBMVCAINVOJAKZ-UHFFFAOYSA-N 298.306 1.932 0 50 CDAA CCn1nc(C)c(C(=O)NCC[C@H]2CCCN(C)C2)c1C 67847764 FGHCYDQKLBNICD-CQSZACIVSA-N 292.427 1.982 0 50 CDAA COc1ccccc1N(CCCC(=O)O)S(C)(=O)=O 113878011 ZBFWKCHLDXTPKJ-UHFFFAOYSA-N 287.337 1.326 0 50 CDAA NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](Cn2cncn2)C1 229476888 UTHSFALKCBQUHP-HIFRSBDPSA-N 299.378 1.217 0 50 CDAA COc1cc(O)cnc1I 66054387 WSDVIKOKOJSAQP-UHFFFAOYSA-N 251.023 1.400 0 50 CDAA in-vitro Cc1nc(/C=C/c2cnn(C)c2C)nc(O)c1CC(=O)O 347419000 OEIDBASPEIWAIS-SNAWJCMRSA-N 288.307 1.330 0 50 CDAA Cc1cnn(CCCNC(=O)c2cccc3c2OCC3)c1 67847677 SKPXDOBCCVVBIB-UHFFFAOYSA-N 285.347 1.947 0 50 CDAA CCN(CC1CCCCC1)C(=O)CS(C)(=O)=O 67965242 GMZNVRNSCIOFIZ-UHFFFAOYSA-N 261.387 1.460 0 50 CDAA O=C(N=c1[nH][nH]c2ccc(F)cc12)[C@H]1C[C@]12CCOC2 329743594 QDMSWKINNXAVIF-YGRLFVJLSA-N 275.283 1.489 0 50 CDAA O=C(CCOC1CCOCC1)N1CCC[C@@H]1c1cc[nH]n1 329817479 FIYIZKKEWPXAEB-CQSZACIVSA-N 293.367 1.659 0 50 CDAA Cc1cc(O)nc(C(=O)N(C)CC[C@H]2CCCO2)c1 349301639 QNPWZOHZWUMIGR-LLVKDONJSA-N 264.325 1.737 0 50 CDAA O=C1[C@H]2CC[C@H]1CC(C(=O)N1CC(OC(F)F)C1)C2 437569050 PRQMRCQUIDEZBQ-YUMQZZPRSA-N 273.279 1.442 0 50 CDAA Cn1ncnc1CN1CCC(CCCn2ccnc2)CC1 331512148 JCLUTGZSNVQKTC-UHFFFAOYSA-N 288.399 1.704 0 50 CDAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc2n(n1)CCNC2 65395414 UGDXKCDBSNILEG-FRRDWIJNSA-N 286.379 1.318 0 50 CDAA COc1cc(N(C)CCCn2nc(C)cc2C)ncn1 65506861 FIFUUAOAMKKJHS-UHFFFAOYSA-N 275.356 1.825 0 50 CDAA C[C@@H](Cn1cncn1)NCCN1CCc2ccccc21 65488031 MCZXHLWWWNNXPS-ZDUSSCGKSA-N 271.368 1.319 0 50 CDAA CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(=O)[nH]n2)C12CCC2 126196671 HDJBKTQDIJSKDZ-RYUDHWBXSA-N 291.351 1.190 0 50 CDAA CC(C)Oc1ncccc1C(=O)N[C@H]1CCCCNC1=O 284160284 FRWSYCMTWLZLNG-LBPRGKRZSA-N 291.351 1.267 0 50 CDAA CC1(C)CN(C(=O)C2(C3CC3)CCOCC2)C[C@@H]1O 336045925 IVFQHAGRXDZVMX-LBPRGKRZSA-N 267.369 1.423 0 50 CDAA CCC[C@H]1CN(C(=O)c2ccoc2C)C[C@@H]1NC(C)=O 219943479 VIEAHMNHMSLGAI-JSGCOSHPSA-N 278.352 1.965 0 50 CDAA Cc1cc(C(=O)NCc2nccn2CC(C)C)no1 130869521 JKYWVMUTSQIVIU-UHFFFAOYSA-N 262.313 1.766 0 50 CDAA O=C1CCN(C(=O)c2ccc(CO)c(F)c2)CC1 239352072 AAZCWRSJXCVILV-UHFFFAOYSA-N 251.257 1.123 0 50 CDAA CN(C)[C@H](C(=O)O)C(O)(c1ccccc1)c1ccccc1 71771725 ZLCSJOOWDDEXPM-OAHLLOKOSA-N 285.343 1.937 0 50 CDAA CC(=O)[C@@H]1C[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1(C)C 133676935 MXTNRFOQBIDVJC-QLFBSQMISA-N 292.423 1.934 0 50 CDAA O=C(NCCNc1cccnc1)c1c(O)cccc1O 71738780 BCGGENIPJNJXJN-UHFFFAOYSA-N 273.292 1.335 0 50 CDAA COc1ccc(F)cc1C(=O)N1C[C@H](C)N[C@H](C)C1 154178583 JCONNWRELREOMP-AOOOYVTPSA-N 266.316 1.657 0 50 CDAA Cc1nc(C)c(C(=O)N(CC(=O)O)C(C)C)nc1C 263404179 HHXJUFQMBRSREL-UHFFFAOYSA-N 265.313 1.337 0 50 CDAA O=C(NCc1n[nH]c2c1CCCCC2)[C@H]1CCCO1 221272945 HMVZSOZMPMOMTB-CYBMUJFWSA-N 263.341 1.474 0 50 CDAA CCc1nccn1CCNC(=O)[C@@H](O)c1cccc(F)c1 223783710 NLTYKBIETYKFLJ-AWEZNQCLSA-N 291.326 1.434 0 50 CDAA O[C@H]1CCCN(c2cccc(Br)n2)C1 44120606 INBUDHUQWUBOTL-QMMMGPOBSA-N 257.131 1.805 0 50 CDAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)cc1F 225787832 ZMOCZOVQVFHKJC-WYUUTHIRSA-N 297.257 1.782 0 50 CDAA CN(C)c1ncnc2c1ncn2C[C@@H]1CCCOC1 532880355 FNRUQVMAZBFFSP-JTQLQIEISA-N 261.329 1.319 0 50 CDAA O=C(O)c1nc(-c2cccs2)nc2c1OCO2 222462968 MGFDVLDLQNZUBH-UHFFFAOYSA-N 250.235 1.632 0 50 CDAA CC(C)N1CCC[C@@H](C(=O)NCCc2cc[nH]n2)C1 426613709 ZVTPMBVWVWCKOL-GFCCVEGCSA-N 264.373 1.189 0 50 CDAA O=C(c1cnco1)N1CC(c2nc3ccccc3[nH]2)C1 221227717 GNAAGOPANFYLSU-UHFFFAOYSA-N 268.276 1.791 0 50 CDAA O=C(Cc1cccnc1)NCc1ccccc1-n1cncn1 223257118 NINGLZPSIMSZLJ-UHFFFAOYSA-N 293.330 1.521 0 50 CDAA CC(C)[C@@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C 96838039 FWEXSIHWPAKSOP-QMMMGPOBSA-N 265.331 1.523 0 50 CDAA CCCc1nnc(N2CCC[C@](O)(CN(C)C)CC2)o1 95367224 WVOPILKFDGCXKD-CQSZACIVSA-N 282.388 1.305 0 50 CDAA Cc1cccnc1NCCNC(=O)C[C@@H]1CCOC1 426523463 MVQSDYJJDQDRPL-LBPRGKRZSA-N 263.341 1.345 0 50 CDAA COC[C@H]1CCCCN1C(=O)CCc1ccnn1C 622669939 JBVGRKWUJHTAIM-CYBMUJFWSA-N 265.357 1.380 0 50 CDAA OCc1ccc(Cn2cc(-c3cncnc3)nn2)cc1 95371084 OKLGZAVQBDRPDH-UHFFFAOYSA-N 267.292 1.276 0 50 CDAA COc1ccc(Br)cc1/C=C\C(N)=O 148896517 IIPWEHKRMKXJNF-DJWKRKHSSA-N 256.099 1.956 0 50 CDAA CCN(Cc1cnn(CC)c1)C(=O)CN1C(=O)CC[C@@H]1C 95502050 KZVKPWNOPMFGIA-LBPRGKRZSA-N 292.383 1.262 0 50 CDAA O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1cccnc1 268784609 JRVDRMCZIIBFJR-NSHDSACASA-N 278.337 1.161 0 50 CDAA CC(C)c1nccn1[C@@H](C)C(=O)NCCN1CCOC1=O 95357496 ZAXBQDAVJBDSAM-NSHDSACASA-N 294.355 1.136 0 50 CDAA CC(=O)Nc1nc(C(=O)N2CC(OC(F)F)C2)cs1 437596558 ZELOYMQETUUWCB-UHFFFAOYSA-N 291.279 1.165 0 50 CDAA Cc1nn(C)cc1C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 268958448 ZVQGPHPLYDASRC-RTXFEEFZSA-N 291.351 1.586 0 50 CDAA CCO[C@@H](C)c1nc(CC(=O)N2CC[C@H](N)C2)cs1 237032370 UEXHHEZPTLMCBK-UWVGGRQHSA-N 283.397 1.343 0 50 CDAA C[C@H]1CN(CCCCNc2ncc(F)cn2)C[C@H](C)O1 269529602 YDTPLFGLKSZJHI-RYUDHWBXSA-N 282.363 1.917 0 50 CDAA CN(CCN1CCCC1=O)Cc1n[nH]c2c1CCCCC2 240203828 JTTQHSYZNBLIKG-UHFFFAOYSA-N 290.411 1.733 0 50 CDAA Cc1nc(CCN2CC[C@@]3(O)CCNC[C@H]3C2)cs1 244723686 MFNYYZACKWJZKU-JSGCOSHPSA-N 281.425 1.040 0 50 CDAA O=C(O)[C@@H]1CC(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1 242495569 GJUBBFPRPXTLSH-NFAWXSAZSA-N 289.331 1.840 0 50 CDAA CC(C)[C@H](CNc1cnccn1)N1CCOCC1 298085485 HIQCYKVMSJDZED-LBPRGKRZSA-N 250.346 1.245 0 50 CDAA O=c1[nH]ccn1CCN1CC[C@H]1c1ccc(F)cc1 244734635 NJGVXZYYCWHFOI-ZDUSSCGKSA-N 261.300 1.763 0 50 CDAA O=C(NC1(C(=O)O)CCC1)[C@@H]1COc2ccccc21 164902279 AXNLSKJQZZQODB-SNVBAGLBSA-N 261.277 1.286 0 50 CDAA C[C@H]1CCCN(C(=O)c2ccc(C(N)=O)s2)[C@H]1CN 299739074 KGSYODOZTGVROB-IUCAKERBSA-N 281.381 1.046 0 50 CDAA COc1ccc(C(=O)NCC2(c3ccccn3)CC2)nn1 184357472 RNQNUXCHDRMVIX-UHFFFAOYSA-N 284.319 1.342 0 50 CDAA C[C@@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@H]1C(=O)OC[C@@H]1CCCO1 253566736 JIAFMXROXFYHJT-TVEHIPJCSA-N 282.336 1.686 0 50 CDAA CCCCn1cc(C(=O)NCCCn2ccnn2)c(C)n1 185029685 BFSZXOLQILPARJ-UHFFFAOYSA-N 290.371 1.403 0 50 CDAA O=C(N[C@@H]1CCOC[C@@H]1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 629246231 SPCOHVYYAUKZDP-RYPNDVFKSA-N 281.396 1.859 0 50 CDAA Cc1ccc(C(=O)N[C@H](C)c2cccnc2)c(=O)n1C 534586983 LAXXBSPLWKXOTM-LLVKDONJSA-N 271.320 1.580 0 50 CDAA CC(C)CS(=O)(=O)N[C@H](c1ncnn1C)C(C)C 534591515 SALLTVGDJHLSPU-JTQLQIEISA-N 274.390 1.088 0 50 CDAA CCC[C@H](NC(=O)c1ccn(C)n1)c1nccn1C 534655891 ZEAZXDVJBXWONB-JTQLQIEISA-N 261.329 1.425 0 50 CDAA CC(C)c1ccc(=N[C@H](C)CN2CCOCC2)[nH]n1 534672305 ZBZBXDJDRAWDME-GFCCVEGCSA-N 264.373 1.155 0 50 CDAA CC[C@@H](NC(=O)CCN1CCOCC1)c1cc(C)ccn1 299798147 VWVCUYAVZGXGDS-CQSZACIVSA-N 291.395 1.680 0 50 CDAA O=C(c1cn[nH]c1)N1CCN(C2Cc3ccccc3C2)CC1 299762637 OOHOIEXLTYBFDY-UHFFFAOYSA-N 296.374 1.335 0 50 CDAA Cc1cccc2[nH]c(CNC(=O)[C@H]3CCCNCC3)nc12 299786943 RVYBJKSQNPXUIJ-LBPRGKRZSA-N 286.379 1.877 0 50 CDAA C[C@H]1CN(Cc2nc(Br)nn2C)C[C@@H](C)O1 585136676 PFCZKJRUNAEWAK-OCAPTIKFSA-N 289.177 1.187 0 50 CDAA CCN1CC[C@H](C(=O)N2CCC(CCCOC)CC2)C1 584897538 YDORDUVRSVBKNH-HNNXBMFYSA-N 282.428 1.993 0 50 CDAA Cc1ncn(C)c1C(=O)N[C@@H](C)c1nc(C(C)C)no1 584885584 MFRSJMYFQXMTTR-VIFPVBQESA-N 277.328 1.726 0 50 CDAA O=C(C[C@@H]1CCOC1)NCc1cnn(-c2ccccc2)c1 584885100 UTNMGIBBWYVQKQ-ZDUSSCGKSA-N 285.347 1.915 0 50 CDAA CN(C)[S@](C)(=O)=NC(=O)COc1cc(F)cc(F)c1 585137350 UFSXCHSPZVTQJG-LJQANCHMSA-N 292.307 1.445 0 50 CDAA O=C1CN([C@H]2CCOC2)CCN1CCc1ccccc1 670470846 BCTKPTWUZYCXQY-HNNXBMFYSA-N 274.364 1.162 0 50 CDAA COCc1n[nH]c(CN2CCc3ccccc3C2)n1 670461855 VZTIBAWOIXNKMD-UHFFFAOYSA-N 258.325 1.509 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 272008359 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C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cc2cccc(O)c2)CC1=O 229347493 FSTNDNXPGGBBHQ-OSMZGAPFSA-N 288.347 1.060 0 50 CDAA C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Cc2cccc(O)c2)CC1=O 229347510 FSTNDNXPGGBBHQ-SCDSUCTJSA-N 288.347 1.060 0 50 CDAA CCCCS(=O)(=O)Nc1c(C)nn(CC(=O)O)c1C 65382835 VDFYWMOJDZWUPC-UHFFFAOYSA-N 289.357 1.126 0 50 CDAA Cn1ccnc1CN1CCN(C2CCCCC2)C(=O)C1 65403300 DJOZUMXQTVBTPD-UHFFFAOYSA-N 276.384 1.397 0 50 CDAA CSc1ncc2cc(Br)c(=O)[nH]c2n1 72319667 FEDCSLRPQNWUHW-UHFFFAOYSA-N 272.127 1.803 0 50 CDAA Cn1cnc2c(c1=O)CCN(C(=O)c1ccc(Cl)o1)C2 328646001 ZXRUNKBGZBYNAT-UHFFFAOYSA-N 293.710 1.225 0 50 CDAA Cc1nc(CCN[C@@H](C)Cn2cncn2)sc1C 65420999 RVQAZHAZPAQURY-VIFPVBQESA-N 265.386 1.572 0 50 CDAA O=S(=O)(Cc1ccon1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1 328815054 GGLBKICIOHOEAU-YRRQLQLVSA-N 282.365 1.482 0 50 CDAA COc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C 67604025 LSWXQJOMIMDADJ-UHFFFAOYSA-N 298.408 1.376 0 50 CDAA C[C@H]1C(=O)CC[C@H]1CC(=O)N=c1cc(C(F)(F)F)[nH][nH]1 330107744 MOLWMEOKIJWEAC-RQJHMYQMSA-N 289.257 1.794 0 50 CDAA Cc1cc(C)n(CCCNC(=O)c2oc(C)nc2C)n1 173631830 PUIQAVBJQHVPDC-UHFFFAOYSA-N 276.340 1.925 0 50 CDAA CN1CC[C@@]2(CCN(c3ccc(S(C)(=O)=O)cn3)C2)C1 330193168 YJMXXQLQVHGDNR-CQSZACIVSA-N 295.408 1.017 0 50 CDAA Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccccn1)C(=O)N2 86875 LZBDRKHGFDMVSB-MRXNPFEDSA-N 282.299 1.803 0 50 CDAA COC(=O)c1oc2ccccc2c1NC(=O)/C=C/C(=O)O 1393704 QFKWXNCOZCAJQU-VOTSOKGWSA-N 289.243 1.799 0 50 CDAA O=C(O)CC1(NC(=O)c2n[nH]c3c2CCC3)CCCCC1 219690245 KBYHSPVNBIQTTM-UHFFFAOYSA-N 291.351 1.806 0 50 CDAA Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)s1 301407073 VLIOGCJFJUIZAT-GFCCVEGCSA-N 282.413 1.395 0 50 CDAA C[C@H](C(N)=O)N(C)Cc1cnn(-c2cccc(F)c2)c1 215239238 HEVFLFPYEMACPB-SNVBAGLBSA-N 276.315 1.317 0 50 CDAA CCc1ccc(C(=O)N(C)CCCCN2CCOCC2)[nH]1 219030960 CVSBCEWGQBBDHP-UHFFFAOYSA-N 293.411 1.762 0 50 CDAA Cc1cncc(C(=O)N2CCC[C@](O)(CN(C)C)CC2)c1 72166783 ZCASXLGGUQCBKX-MRXNPFEDSA-N 291.395 1.309 0 50 CDAA CCc1nc(CN2CCCC[C@@H]2c2nc(O)n[nH]2)no1 333630680 AFCGMNVGKIPDTA-MRVPVSSYSA-N 278.316 1.183 0 50 CDAA CCOC(=O)C(C)(C)CC(=O)NCc1cccnc1OC 253423864 IJTTWHGAZKWBIZ-UHFFFAOYSA-N 294.351 1.686 0 50 CDAA O=C(N=c1[nH][nH]c2ccc(F)cc12)[C@@H]1C[C@H]2CC[C@@H]1O2 333954290 FDMCKOOHGOGISZ-UISBYWKRSA-N 275.283 1.630 0 50 CDAA CCOc1cc(N2CCCN(c3ccccn3)CC2)ncn1 129922032 OQROFFHPKSFRFF-UHFFFAOYSA-N 299.378 1.987 0 50 CDAA CN(C(=O)c1ccco1)C1CCN(c2ncccn2)CC1 364562425 HDAPSAOIZPSHOG-UHFFFAOYSA-N 286.335 1.811 0 50 CDAA O=C([C@@H]1CCOC1)N1CCc2nc(-c3cccnc3)[nH]c2C1 215822802 RQOKOABAACOUAD-GFCCVEGCSA-N 298.346 1.393 0 50 CDAA Cc1cnc(C)c(N2CCC[C@H](CCC(N)=O)C2)n1 77520915 DOUKKXLIZPKWFP-GFCCVEGCSA-N 262.357 1.575 0 50 CDAA O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc2ccccc2n1 215686984 PNJYKRCENHJKOB-RYUDHWBXSA-N 273.311 1.665 0 50 CDAA CC(=O)NCCC(=O)N1CC(Oc2cccc(C)c2)C1 219267921 FZXGXQKMUZAYEJ-UHFFFAOYSA-N 276.336 1.111 0 50 CDAA COc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C(=O)O)c(OC)c1 262213054 WDQPPCPYUFBULV-RYUDHWBXSA-N 293.319 1.383 0 50 CDAA c1ccc([C@H](CCn2cncn2)Nc2ncncn2)cc1 219510799 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C[C@H]1CN(C(=O)[C@H]2CSCN2)C[C@@H](c2ccsc2)O1 237768332 PXCBABKCXGKZQW-WCQGTBRESA-N 298.433 1.699 0 50 CDAA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cccnc1O 244724640 MXWXTNAZDWQZRP-WDMOLILDSA-N 299.330 1.424 0 50 CDAA CC[C@@]12O[C@H]3[C@H]4C[C@H]([C@H]3O)[C@@H](C(=O)N1Cc1ccccc1)[C@H]42 244811360 SBMJODKIBJOTSH-RKCAFXDWSA-N 299.370 1.777 0 50 CDAA C[C@H]1CN(C)C[C@H]1NS(=O)(=O)Cc1cccc(F)c1 257366338 SQRLRIPLTKSQCW-GXFFZTMASA-N 286.372 1.195 0 50 CDAA Nc1nc(O)cc(N2CCN(CCCCCF)CC2)n1 253537090 XDCYALHPPIVGLD-UHFFFAOYSA-N 283.351 1.026 0 50 CDAA COCc1ccc(C(=O)N2CCC[C@H]2Cn2ccnn2)o1 299745935 UEDXZCIOPFEUDB-NSHDSACASA-N 290.323 1.322 0 50 CDAA C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)O 299752460 UEQRJEIOZSWZMW-GRYCIOLGSA-N 285.340 1.036 0 50 CDAA COC(=O)CN1CCN(CCCc2ccccc2)CC1 354885029 CWRKJSFKCJZDCW-UHFFFAOYSA-N 276.380 1.410 0 50 CDAA NCCN(CCc1ccccc1)C(=O)[C@@H]1C[C@@]12CCNC2 261796514 VFKWETAESSJQRE-DOTOQJQBSA-N 287.407 1.016 0 50 CDAA Cc1cnc([C@H](C)NC(=O)Cn2nc3ccccc3n2)[nH]1 534578579 NWGNCZFCMPBEDX-JTQLQIEISA-N 284.323 1.340 0 50 CDAA CC(C)[C@@H](NC(=O)CN1CCCCCC1)c1ncnn1C 534642713 QWTHHRHFJLXVKJ-CQSZACIVSA-N 293.415 1.504 0 50 CDAA NC(=O)CC[C@@H]1CCCN(c2ccncc2F)C1 641335010 FNAXZAYGSRGAGT-JTQLQIEISA-N 251.305 1.703 0 50 CDAA COc1ccc(NC(=O)N[C@@H]2CCNC2=O)c(C)c1 299782814 NMZZXDQKOICDSQ-LLVKDONJSA-N 263.297 1.014 0 50 CDAA COc1ccc(NC(=O)NC[C@H]2COCCO2)c(F)c1 299777488 NBYBIAHBXYLZNX-JTQLQIEISA-N 284.287 1.371 0 50 CDAA Cc1nncn1CCN1CCC[C@H](CCC(=O)O)C1 828509365 QXDYQUHIAUNVLR-GFCCVEGCSA-N 266.345 1.163 0 50 CDAA C[C@H](NC(=O)CN1CCOCC1)C1=CCCCC1 827989691 VMNBZMSNNQBZGS-LBPRGKRZSA-N 252.358 1.324 0 50 CDAA CC[C@@H](NC(=O)c1ccc(N)nc1)c1ncc(C)[nH]1 822650377 QYUQVTNSUBUPSQ-SNVBAGLBSA-N 259.313 1.576 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNc2ncc(F)c(OC)n2)CC1 823830732 ZPOIUXRVUQCSBB-MGCOHNPYSA-N 296.346 1.589 0 50 CDAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ncccc1C 584894160 FQXVLYMINSOMNS-STQMWFEESA-N 277.368 1.227 0 50 CDAA CC(C)(C)n1nc(-c2ccccc2)nc1[C@H](N)CO 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CDAA O=C1CCC[C@@H](C(=O)Nc2nccc3ccccc23)N1 643610875 VIBQODVYVXHODI-LBPRGKRZSA-N 269.304 1.842 0 50 CDAA CO[C@H](C)CSCC(=O)Nc1cc(C)nn1C 193716072 MZPPBQJXSGYYFD-SECBINFHSA-N 257.359 1.435 0 50 CDAA CCc1nnsc1C(=O)N1CCC2(CCNCC2)CC1 71589559 SEFLZRBTHCCXEJ-UHFFFAOYSA-N 294.424 1.706 0 50 CDAA C[C@H]1CC[C@@H](C)N(C(=O)c2ccc3c(c2)B(O)OC3)C1 584954464 LDHOSKYCLFYSAQ-WDEREUQCSA-N 273.141 1.165 0 50 CDAA C[C@]1(CCNC(=O)c2ccc3c(c2)COB3O)CC1(F)F 585007121 JYFRVMHYRCURFF-ZDUSSCGKSA-N 295.094 1.070 0 50 CDAA CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H]1CNC(=O)C1 585094337 LAQZRBYQEKJSNF-IUCAKERBSA-N 264.291 1.785 0 50 CDAA CCOC(=O)[C@@H](F)[C@@H]1CCN(c2nc(CC)ns2)C1 585092256 LZSICUZULWYJPU-SCZZXKLOSA-N 287.360 1.828 0 50 CDAA CCn1cnnc1[C@H]1CN(Cc2scnc2C)CCO1 681911553 CBWYJNPRGDCMSY-LLVKDONJSA-N 293.396 1.636 0 50 CDAA Nc1nonc1C(=O)OCc1cc2ccccc2o1 768012963 LJYHPQOJJNNHKN-UHFFFAOYSA-N 259.221 1.755 0 50 CDAA COc1ccc(CCN(C)c2n[nH]c(=N)s2)cc1OC 1857666758 BFHFJFVHFLYTIP-UHFFFAOYSA-N 294.380 1.647 0 50 CDAA Cc1ncc(Cl)c(N[C@@H](CC(C)C)C(N)=O)n1 1704309212 OFPHIYKVBLNUCT-VIFPVBQESA-N 256.737 1.750 0 50 CDAA Cc1c(Cl)c(C(=O)N2CCC[C@H]2C(=O)O)nn1C 263295803 ZMXGFULHQPXESB-ZETCQYMHSA-N 271.704 1.071 0 50 CDAA CC(C)N1C[C@@H](CN(C)Cc2ncc[nH]2)CCC1=O 1772811350 SMCTZKFDCNUPKV-GFCCVEGCSA-N 264.373 1.489 0 50 CDAA C[C@@H](C(=O)O)N(c1ccc(Cl)cc1)S(C)(=O)=O 5050853 ZCQASZURWSOPHS-ZETCQYMHSA-N 277.729 1.579 0 50 CDAA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(=O)O)cc1 5523456 PNBPHFJAZLVJID-LLVKDONJSA-N 290.275 1.186 0 50 CDAA CCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O 5591507 FWOSBKBVLAWNHH-JTQLQIEISA-N 274.320 1.587 0 50 CDAA O=C1OCCN1[C@@H](c1ccccn1)n1nnc2ccccc21 5800688 OPXXZUWWTVGDFV-CQSZACIVSA-N 295.302 1.825 0 50 CDAA COC(=O)CCC(=O)N1CCO[C@H](CCCC(C)C)C1 12440988 ODKQOSZUSLPSKY-CYBMUJFWSA-N 285.384 1.993 0 50 CDAA O=C(Cn1nc(-c2cccs2)ccc1=O)NC1CC1 19344482 AOKKETNVSDOMMR-UHFFFAOYSA-N 275.333 1.250 0 50 CDAA C[C@H]1CNC(=O)CCN1C(=O)CSc1ccccc1 19595291 NPNXVYBXKABIMU-NSHDSACASA-N 278.377 1.516 0 50 CDAA Cc1cc(C)cc(NC(=S)N2CCN(CCO)CC2)c1 19798296 UJEGVQOJQVTWSZ-UHFFFAOYSA-N 293.436 1.610 0 50 CDAA CCc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c1 169619702 QZIMBOVHLJZHLU-SYQHCUMBSA-N 287.315 1.842 0 50 CDAA CS(=O)(=O)c1cc(CN)cc(C(F)(F)F)c1 164658295 MUIXPGZYRCQACO-UHFFFAOYSA-N 253.245 1.568 0 50 CDAA Cc1ncc(/C=C/C(=O)N2CCC[C@H](N)C2)s1 157892025 QFMJSUVPTKROBE-YEZKRMTDSA-N 251.355 1.414 0 50 CDAA C[C@@]1(C(=O)NCc2cn3cccnc3n2)CC12CCNCC2 1857688229 XWVNKICVZBVJPN-HNNXBMFYSA-N 299.378 1.125 0 50 CDAA NC(=O)CCCn1cc(-n2ccnc2-c2cccnc2)cn1 1857692344 ZXNLEIGQESIIMX-UHFFFAOYSA-N 296.334 1.396 0 50 CDAA Cc1cc(C)cc(CC(=O)Nc2cnn(CC(=O)O)c2)c1 663057472 IQHBNWLSBRRTND-UHFFFAOYSA-N 287.319 1.766 0 50 CDAA CC(C)(C(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2)c1cccnc1 408374704 QABPSPSVMDSVBN-UBHSHLNASA-N 274.364 1.731 0 50 CDAA COC[C@]1(C(=O)N(C)Cc2ccc(F)cc2F)CCCN1 643627163 OESZAHPDEOJJPN-HNNXBMFYSA-N 298.333 1.692 0 50 CDAA COc1cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)ccc1O 253426114 FUIGFZQMSNWVRF-BLLLJJGKSA-N 293.363 1.781 0 50 CDAA CN(Cc1ccsc1)C(=O)[C@@H]1CCc2nnn(C)c2C1 685570146 USWMSOVFKUKCOR-LLVKDONJSA-N 290.392 1.640 0 50 CDAA CCCCNC(=O)[C@H](C)N1CCC(N2CCOCC2)CC1 585116302 PFNXRRKUJXPUSS-AWEZNQCLSA-N 297.443 1.088 0 50 CDAA CC(C)[C@H](CCO)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 585122470 MFNGXPLQQQQOMT-NEPJUHHUSA-N 279.384 1.602 0 50 CDAA N[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1 162000279 HWURJLWDGARELX-NEPJUHHUSA-N 285.347 1.528 0 50 CDAA C=CC(=O)N1CCN(C(=O)c2ccccc2OC)CC1 848979062 KUFYRZUEKUMOHK-UHFFFAOYSA-N 274.320 1.166 0 50 CDAA CC(C)Cn1ccc(C(=O)NCC[C@@H]2CC(=O)N(C)C2)n1 927761326 LWVMJHXQJNLRCF-GFCCVEGCSA-N 292.383 1.137 0 50 CDAA CC(C)OCc1noc(CN2CCC[C@H]2c2nc[nH]n2)n1 931143817 KSLRJEWRSQSECQ-JTQLQIEISA-N 292.343 1.450 0 50 CDAA Cc1sccc1NC(=O)NCCN1CCO[C@@H](C)C1 932145323 JSSICYDVOQFEHI-JTQLQIEISA-N 283.397 1.899 0 50 CDAA COc1cc(C(=O)N[C@](C)(C(=O)O)C2CC2)ccc1F 127520381 HDUJDNJWYAHPEG-AWEZNQCLSA-N 281.283 1.817 0 50 CDAA C[C@H](N)[C@H]1CN(C(=O)c2coc3ccccc23)CCO1 127892473 VKYPVMHZMBIJJK-IINYFYTJSA-N 274.320 1.621 0 50 CDAA O=C(O)CN(C(=O)[C@@H]1CC=CCC1)C1CCOCC1 238104544 BXWPHKVNLMHIJJ-LLVKDONJSA-N 267.325 1.435 0 50 CDAA O=C(O)[C@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 262072984 CSKCKOCFFLBHRS-SECBINFHSA-N 281.333 1.510 0 50 CDAA O=C(CCc1nc2ccccc2[nH]1)NCc1cc[nH]n1 40436728 LIZDJHLQCDRZLA-UHFFFAOYSA-N 269.308 1.535 0 50 CDAA CNC[C@H]1CCN(C(=O)Cc2ccc(OC)c(F)c2)C1 178963752 SLQKUJAPLACOFD-GFCCVEGCSA-N 280.343 1.445 0 50 CDAA Cc1ccc(C(=O)N2CCOC[C@H](O)C2)cc1Cl 77386265 DUEQJLOFKRLCSI-LLVKDONJSA-N 269.728 1.482 0 50 CDAA CN=c1ccc(C(=O)NCC2(O)CCC(C)CC2)c[nH]1 621098713 YXIIRMHGZFAKJO-UHFFFAOYSA-N 277.368 1.216 0 50 CDAA O=S(=O)(C[C@@H](O)COc1ccccc1)c1ccccn1 52769 AMZHYXDVUYXQRZ-LBPRGKRZSA-N 293.344 1.295 0 50 CDAA COCc1nc(-c2ccc(F)c(OC)c2)nn1C 2100541284 ZKLYUCHEMNVWLE-UHFFFAOYSA-N 251.261 1.776 0 50 CDAA CCOC(=O)[C@H]1CNCC12CN(C(=O)OC(C)(C)C)C2 310026257 VASKQASZGABQFA-SNVBAGLBSA-N 284.356 1.006 0 50 CDAA CCn1c([C@H](C)O)nnc1N1C[C@H](C)OC2(CCCC2)C1 2325768377 NHKUZLOBRXHOJV-RYUDHWBXSA-N 294.399 1.889 0 50 CDAA CC(C)c1noc(Cn2ccnc2C[C@H](C)O)n1 2325880091 URDHSNQYNIJMGS-VIFPVBQESA-N 250.302 1.361 0 50 CDAA CN1C(=O)[C@](O)([C@@H]2COC(C)(C)CC2=O)c2ccccc21 341033 LUUDDMFQLMETMI-BDJLRTHQSA-N 289.331 1.235 0 50 CDAA biogenic Cn1nnnc1SCC(=O)N1CCCc2ccccc21 795850 XGISSEUXCOOPAT-UHFFFAOYSA-N 289.364 1.282 0 50 CDAA CCC[C@@]1(C(=O)O)CN(Cc2cnn(C)c2C)CC[C@@H]1O 2356144710 JNFLUZJFYDNUQX-DZGCQCFKSA-N 295.383 1.166 0 50 CDAA OC1CN(C2CCN(C/C=C/c3ccccc3)CC2)C1 2356153632 OKRPMHCZNYKNLF-QPJJXVBHSA-N 272.392 1.841 0 50 CDAA CCCCc1nnc2n1[C@H](C)C(=O)N(CCC)C2 2356154426 VLSVKHHDEXHTPJ-SNVBAGLBSA-N 250.346 1.934 0 50 CDAA COc1cccc(OCCSc2nc(N)cc(N)n2)c1 2996655 KVXDMAVJTSWXQE-UHFFFAOYSA-N 292.364 1.821 0 50 CDAA COc1ccc([C@H](CC(=O)O)NC(=O)C(C)C)cc1 3121471 PQOOCDAOZXBBFI-LBPRGKRZSA-N 265.309 1.983 0 50 CDAA CCOC(=O)[C@H]1CCCN(C(=S)NC2CC2)C1 4741233 AQWACXBVDIMPIB-VIFPVBQESA-N 256.371 1.298 0 50 CDAA O=C(Nc1cccnc1)OCCNC(=O)c1cccnc1 4982184 OCEJCONXMXWNBQ-UHFFFAOYSA-N 286.291 1.455 0 50 CDAA Cc1ccc(-c2cccc([C@@H]3NCCNC3=O)c2)cn1 863700878 XFKXEZWBXSYIHX-HNNXBMFYSA-N 267.332 1.818 0 50 CDAA CCOCCCC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)OC 247856382 UJYKPDDOJHSLKU-VTPLQMEGSA-N 283.368 1.507 0 50 CDAA CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@H](NC)C1 422774171 VWSBQVLHSBASPL-LBPRGKRZSA-N 292.427 1.298 0 50 CDAA COc1cccc(Cn2c(CCn3cccn3)n[nH]c2=O)c1 65527801 RZVMIFWAKUVNRS-UHFFFAOYSA-N 299.334 1.068 0 50 CDAA Cn1cnnc1[C@H]1CN(CCC2CCCC2)CCO1 328649343 UZZMMNUVCUPVPN-CYBMUJFWSA-N 264.373 1.769 0 50 CDAA O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCOC1 69331429 RAJSDBGWSJDCPL-CYBMUJFWSA-N 288.347 1.466 0 50 CDAA C[C@@H](Cn1cncn1)NC(=O)C1(C)CCCCC1 20453000 STJAPQXSOMBONV-NSHDSACASA-N 250.346 1.753 0 50 CDAA CCn1nccc1-c1n[nH]c(=O)n1Cc1ccccc1 65528170 CZTQHACQBBHSRD-UHFFFAOYSA-N 269.308 1.503 0 50 CDAA Cc1cc([C@H]2CCCN2S(=O)(=O)C2CC2)on1 329758394 ZZLAACXPLACVDM-SNVBAGLBSA-N 256.327 1.612 0 50 CDAA COc1ccccc1/C(C)=C/C(=O)N1CC[C@@H](N)C1 132555477 VLGCKZSOKJQUQU-LMMOQWNQSA-N 260.337 1.658 0 50 CDAA CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)CCc2cnc[nH]2)C1 330749191 HGRWJYOFQZMJSA-SCLGINMFSA-N 297.424 1.538 0 50 CDAA CCc1nc([C@@H](C)NC(=O)c2nc(C)nn2C)cs1 331294759 CGXMXLDQASHSQL-SSDOTTSWSA-N 279.369 1.633 0 50 CDAA CN(C)c1cc(C(=O)N2CC(CO)C2)nc2ccccc12 283594171 XWGDIWWEPDFTAR-UHFFFAOYSA-N 285.347 1.365 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 63280 CGPHGPCHVUSFFA-LLVKDONJSA-N 269.322 1.233 0 50 CDAA biogenic,in-vivo NC(=O)C1CCN(C(=O)COc2ccccc2Cl)CC1 259556 LVOFQTUVMBDPEX-UHFFFAOYSA-N 296.754 1.443 0 50 CDAA CN1CCC(NC(=O)c2nn[nH]c2-c2ccccc2)CC1 188913872 GZAUTXZJHZJRLG-UHFFFAOYSA-N 285.351 1.296 0 50 CDAA Cc1cc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)ncn1 333497113 HLFTYAYYWUIMND-IMIFBBOLSA-N 283.331 1.482 0 50 CDAA OC[C@@H]1C[C@H](F)CN1Cc1cn2cc(Cl)ccc2n1 335736723 SLBYTYQHWYPGTN-JQWIXIFHSA-N 283.734 1.892 0 50 CDAA CCCCCCOC(=O)[C@@H]1CN1[C@@H](CC)C(=O)OC 35337312 YATMUZOFWQFISU-GYZKLXCISA-N 271.357 1.746 0 50 CDAA CN(C)C[C@@H]1CCN(Cc2ccccc2C(=O)O)C[C@H]1O 216490476 DSZXNPYCKVDXBF-DZGCQCFKSA-N 292.379 1.129 0 50 CDAA CN(CC(N)=O)Cc1ccc(CCC(C)(C)O)cc1 72407575 CKJNAKDDDVDKGP-UHFFFAOYSA-N 264.369 1.307 0 50 CDAA COc1ccccc1[C@@H]1CCCN1CC(=O)NCC(=O)O 262160672 CAAYSZOXCRMOPO-LBPRGKRZSA-N 292.335 1.033 0 50 CDAA COCC(=O)N1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 496935980 CLXRRLPANXUOLM-RYUDHWBXSA-N 298.383 1.348 0 50 CDAA COCCn1cc(CN[C@@]23C[C@@H]2COC3(C)C)cn1 527767605 WMANYLBNUWPSOQ-OCCSQVGLSA-N 265.357 1.187 0 50 CDAA CCc1csc(CCNC(=O)CCCn2cncn2)n1 220384916 CZBZBCWZNXQCAU-UHFFFAOYSA-N 293.396 1.436 0 50 CDAA CSCC(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 222993800 OLOJJHRPCOLZRX-AVGNSLFASA-N 280.393 1.243 0 50 CDAA CC(C)c1cc(C(=O)N[C@@H]2CCCOC2)n(C)n1 82120414 DDHFMQIYWGYBLI-SNVBAGLBSA-N 251.330 1.452 0 50 CDAA Cc1nc(CN(C)Cc2c(C)nn(C)c2C)cc(=O)[nH]1 41648491 XVHRBUVGGLPYFW-UHFFFAOYSA-N 275.356 1.061 0 50 CDAA O=C(NCc1nncn1CCc1ccccc1)[C@@H]1CC12CC2 426379749 NRHGSANDUSIZCC-AWEZNQCLSA-N 296.374 1.937 0 50 CDAA OC[C@@H]1CCCN1Cc1ccccc1Cn1cccn1 220316483 PEYRVBQCJOKNLA-INIZCTEOSA-N 271.364 1.888 0 50 CDAA C[C@H](C(=O)O)N(C)C(=O)c1cccnc1N1CCCCC1 269091338 UEYOBKSBQWESFR-LLVKDONJSA-N 291.351 1.617 0 50 CDAA Cc1noc([C@H](C)N(C)C(=O)c2ccn(C(C)C)n2)n1 426701465 QFSNPJFQCRTELL-VIFPVBQESA-N 277.328 1.989 0 50 CDAA Cc1ccc2oc(C(=O)N3CC4(CNC(=O)N4)C3)c(C)c2c1 426649633 MHSCKKVQUXOYCP-UHFFFAOYSA-N 299.330 1.557 0 50 CDAA CCOC[C@@H](O)CNC(=O)c1ccc2oc(C)cc2c1 97522287 UANIRRFXXLSOGT-ZDUSSCGKSA-N 277.320 1.868 0 50 CDAA CCc1ccccc1CN1CCC2(CC1)[C@@H](O)C[C@H]2O 91319814 ARUDUIDQFJILLW-IYBDPMFKSA-N 275.392 1.957 0 50 CDAA Cc1cccc2c1cc(C(=O)NCCc1cnn[nH]1)n2C 426369116 FNTUISWJTSYEDQ-UHFFFAOYSA-N 283.335 1.577 0 50 CDAA Cc1nccnc1N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 91914663 OQNXKFPUCQJBFS-WBMJQRKESA-N 291.395 1.789 0 50 CDAA Cc1cc(CC(=O)N2CC(N3CCCC[C@@H]3C)C2)on1 91596087 GTFZOYPWMSCNPT-LBPRGKRZSA-N 277.368 1.611 0 50 CDAA Cc1nnc(N[C@H]2CCCN(c3cnccn3)C2)o1 95389230 OBSWGSXSSTXDQC-JTQLQIEISA-N 260.301 1.249 0 50 CDAA CCN1CC[C@H](C(=O)NCc2csc(CSC)n2)C1 97636572 WCBNXCHFVGCQFV-JTQLQIEISA-N 299.465 1.964 0 50 CDAA CCc1ccc(CN(C)Cc2n[nH]c(CC)n2)nc1 244894079 YZNJFHCAXOORHW-UHFFFAOYSA-N 259.357 1.957 0 50 CDAA NC(=O)c1cncc(CC[C@H]2COc3ccccc3O2)c1 244659492 HDOFYNMRRMHVNQ-ZDUSSCGKSA-N 284.315 1.953 0 50 CDAA Cc1ccc(C)n1CC(=O)NCCCn1ccnc1 604419709 VNBUSIRKXOXMAQ-UHFFFAOYSA-N 260.341 1.508 0 50 CDAA CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 243152655 JOJNJQNCUZTIRH-CYDGBPFRSA-N 285.409 1.458 0 50 CDAA NC1CC(c2cc(N[C@H]3CC[C@H](O)CC3)ncn2)C1 252536673 JDEUWULJSTWZAW-LOTOBDBSSA-N 262.357 1.397 0 50 CDAA C/C=C/C=C/C(=O)NC1(CO)Cc2ccccc2C1 252537205 KQWQGWIPMLJRDJ-DSXPNFDZSA-N 257.333 1.765 0 50 CDAA Cc1cccc(N2CCC(NC(=O)c3ccnn3C)CC2)n1 253426193 CYXJXDGILHXMPS-UHFFFAOYSA-N 299.378 1.522 0 50 CDAA N[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Cc1ccccc1O)C2 534651054 HXRDDRQMDNGEEL-JYAVWHMHSA-N 260.337 1.130 0 50 CDAA C[C@@H](c1ccncn1)N(C)C(=O)c1c2c(nn1C)CCCC2 299787640 PZLMOMVSGJKZPE-NSHDSACASA-N 299.378 1.922 0 50 CDAA O=C([C@@H]1CCCN1C(=O)c1cncs1)N1CCCCC1 299770438 SJRMBJHXIVFFSH-NSHDSACASA-N 293.392 1.760 0 50 CDAA Cc1nc(NC[C@H]2CN(C)CCO2)ccc1Cl 825269897 SAJVMLVKNXCNOS-JTQLQIEISA-N 255.749 1.786 0 50 CDAA COc1ccc(CNCCS(=O)(=O)NC(C)C)cc1 669369048 YGMGWXRCDSNBDF-UHFFFAOYSA-N 286.397 1.113 0 50 CDAA CN(Cc1cnc(N(C)C)nc1)C[C@H]1CCN(C)C1(C)C 823690446 YBRDPBBZIVRXTC-CQSZACIVSA-N 291.443 1.705 0 50 CDAA CCc1csc(CCN[C@H](C)CS(C)(=O)=O)n1 584891697 RLKUTCJTRNETHB-SECBINFHSA-N 276.427 1.271 0 50 CDAA Cn1cc([C@H](Nc2ncnc3[nH]ccc23)[C@H]2C[C@@H](O)C2)cn1 828870059 OXCLMYDYWDSWJS-SUZMYJTESA-N 298.350 1.616 0 50 CDAA CC[C@@H](NC(=O)Cc1sc(=N)[nH]c1C)c1cnn(C)c1 584904021 YQUVUTKQNBQFAQ-SNVBAGLBSA-N 293.396 1.408 0 50 CDAA CCSc1nn(C(=O)OC)/c(=N/C(=O)OC)s1 670422171 AABUCIPMMRNREH-UITAMQMPSA-N 277.327 1.338 0 50 CDAA CC[C@@H](NC(=O)Cc1c(C)n[nH]c1C)c1ncc(C)[nH]1 584899553 KRMMEEAGSUIVAT-GFCCVEGCSA-N 275.356 1.868 0 50 CDAA COCCN1CC[C@H](c2ncnn2-c2cccnc2)C1 670468367 JHGMCSWCFZMOLA-LBPRGKRZSA-N 273.340 1.098 0 50 CDAA CC(C)(C)n1ncnc1CCCN1CCCC1=O 670444035 FKLZKVDSDPSXHQ-UHFFFAOYSA-N 250.346 1.588 0 50 CDAA Cc1nnc(C[C@@H]2CC[C@H](Nc3ncccn3)C2)o1 952890172 ODAGCUCKBWHZBH-MNOVXSKESA-N 259.313 1.991 0 50 CDAA Cc1ccc(S(=O)(=O)N[C@H](C)Cc2cn(C)nn2)cc1 952993104 CGGHJHHHGCFKQC-LLVKDONJSA-N 294.380 1.033 0 50 CDAA CC(C)C[C@@H]1NC(=O)[C@@H](c2cc(F)ccc2F)NC1=O 1875278896 UFFRXLSEIDGGKT-NWDGAFQWSA-N 282.290 1.667 0 50 CDAA Cn1cc(CNc2cc(F)cc3c2OCCC3)nn1 1875290843 FJGZKEYHYUFNLK-UHFFFAOYSA-N 262.288 1.891 0 50 CDAA CN(C)Cc1nc2ccc(NC(=O)C3CC3)cc2[nH]1 1875297515 UZCIQUBHLSIGKC-UHFFFAOYSA-N 258.325 1.973 0 50 CDAA O=C(C[C@]1(O)CCOC1)N[C@H]1CCOC2(CCCCC2)C1 1875283054 CZZYMDJJPTVDOS-DZGCQCFKSA-N 297.395 1.526 0 50 CDAA COc1cc(O)cc(CNC[C@@]2(C(=O)O)CCCOC2)c1 1875307130 UMRMEHOQWJOXND-HNNXBMFYSA-N 295.335 1.372 0 50 CDAA CC(=O)N1CCC(NC(=O)N[C@](C)(CN)CC(C)C)CC1 1875301060 BSSAPEVBNGTWGU-HNNXBMFYSA-N 298.431 1.060 0 50 CDAA C[C@H]1CCc2[nH]nc(C(=O)NC[C@@H]3[C@H]4CC[C@H]43)c2C1 1875300750 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O=C(NCC(=O)N1CCC[C@@H]2C[C@H]21)c1ccc(F)cc1 585082302 ZVGCLUDXQRMFJR-DGCLKSJQSA-N 276.311 1.566 0 50 CDAA O=C(NCCc1cccs1)c1c[nH]nc1[C@H]1CCOC1 275305698 NUPYEMNTCWOQGG-JTQLQIEISA-N 291.376 1.948 0 50 CDAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccnn1C 275722958 ZCRPFSDDGHHHCM-STQMWFEESA-N 275.356 1.256 0 50 CDAA CCNC(=O)NC[C@H](ONC(=O)OC(C)(C)C)C(C)C 585114794 ZXGKLFRCNJKZOK-JTQLQIEISA-N 289.376 1.786 0 50 CDAA Cc1cc(C(=O)NCc2nc(C(F)(F)F)no2)ns1 585130265 LRYKSYQBMINCTN-UHFFFAOYSA-N 292.242 1.783 0 50 CDAA Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)C1CCOCC1 170064249 NNZWPFWRDDHZJG-VIFPVBQESA-N 280.372 1.370 0 50 CDAA O=C(CSCC1CCCC1)N[C@@H]1CCCCNC1=O 170079303 MSLMWLNSHRHPSZ-GFCCVEGCSA-N 284.425 1.695 0 50 CDAA Cc1cc(C)n(Cc2nc(-c3ncoc3C)no2)n1 278180021 VHRIXSBZTOTMPZ-UHFFFAOYSA-N 259.269 1.895 0 50 CDAA CCC[C@H]1NC(=O)N(Cc2nncn2-c2ccccc2)C1=O 170592504 BXBHKKUXLXFQHV-GFCCVEGCSA-N 299.334 1.488 0 50 CDAA O=C(/C=C/c1cccs1)Nc1[nH]c(=O)ncc1F 170605910 LFZTTWGRRKKGDI-ONEGZZNKSA-N 265.269 1.622 0 50 CDAA 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265.309 1.814 0 50 CDAA Cc1ccncc1/C=C/C(=O)N[C@H]1C[C@H](Cn2cncn2)C1 2325782342 PWTTZBHOPVPKMB-AXEKWBSNSA-N 297.362 1.590 0 50 CDAA CNS(=O)(=O)N1CCC[C@@H]1c1cc(F)ccc1F 2325783131 ZTRBGCQNJBJQKW-LLVKDONJSA-N 276.308 1.566 0 50 CDAA NC(=O)CSCC(=O)Nc1cc(C(F)(F)F)cs1 2325802048 DTJTUVXCYZULOU-UHFFFAOYSA-N 298.311 1.924 0 50 CDAA N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]12 248617621 MGNHTLZJKIBVTL-CYZMBNFOSA-N 266.366 1.044 0 50 CDAA NC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 97890 WUSPXRNDRINSDE-UHFFFAOYSA-N 287.344 1.911 0 50 CDAA O=C(c1noc2c1CCCCC2)N1CCOCC1 426551 WVBIFKJVEJLTDX-UHFFFAOYSA-N 250.298 1.416 0 50 CDAA Cn1nccc1CN1Cc2ccccc2CCC1=O 2356135911 YGGTXECTQKAKLJ-UHFFFAOYSA-N 255.321 1.895 0 50 CDAA N=C(N)SCc1ccc(CSC(=N)N)cc1 3845289 PWMGHDCLHPWGBX-UHFFFAOYSA-N 254.384 1.940 0 50 CDAA OCc1cn([C@@H]2CCCC[C@@H]2NCCOCC2CC2)nn1 328602513 BWNALPUUMXDPIL-LSDHHAIUSA-N 294.399 1.270 0 50 CDAA Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ncnn32)cc1 20721395 PVTGZYHSWXPYNP-SNVBAGLBSA-N 271.280 1.109 0 50 CDAA 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291.311 1.192 0 50 CDAA COCCN(Cc1nnc(C)s1)C[C@@H]1CCCO1 299778858 IBDNGWGNVOITEQ-NSHDSACASA-N 271.386 1.474 0 50 CDAA COc1cccc(C)c1C(=O)N[C@@H]1CCCCNC1=O 824792645 OMEZNVQJBZZYMK-LLVKDONJSA-N 276.336 1.402 0 50 CDAA Cc1nonc1CN[C@H](C)CN1CCc2ccccc2C1 584893376 NOLCJHRAAOOCAE-GFCCVEGCSA-N 286.379 1.914 0 50 CDAA O=C(c1cncc2nc[nH]c12)N1CCCSCC1 585121556 SAQHTILHADIKBW-UHFFFAOYSA-N 262.338 1.537 0 50 CDAA CC(C)(C)OC(=O)N1CCC[C@](O)(C[C@H]2CO2)C1 669371852 BUVYZVITAFVIOT-GWCFXTLKSA-N 257.330 1.537 0 50 CDAA Cc1[nH]c(=N)sc1CC(=O)NC[C@H]1CC[C@H](CO)CC1 584896370 BAWCTSJJPJBXLY-XYPYZODXSA-N 297.424 1.321 0 50 CDAA CN(C)C[C@@H]1CCN(Cc2ccc(Cl)o2)C[C@H]1O 584900555 CPYRSHYVCOGQJG-CMPLNLGQSA-N 272.776 1.677 0 50 CDAA CCO[C@H]1COC[C@@H]1n1cnc2c(C)csc2c1=O 584894594 SNYZGKMNHHKIEO-UWVGGRQHSA-N 280.349 1.743 0 50 CDAA Cc1cc(C)n(C[C@H](C)NCCc2noc(C3CC3)n2)n1 670442286 GCLSXJDESUOGEY-NSHDSACASA-N 289.383 1.981 0 50 CDAA O=C(NC1CCN(C2CCOCC2)CC1)c1ccon1 670461284 BHFXRKVGPRUMIO-UHFFFAOYSA-N 279.340 1.048 0 50 CDAA COC1CCC(NC(=O)N2C[C@H](N)C3(CCC3)C2)CC1 1553488919 JBDIGEAYCMSSOG-BPCQOVAHSA-N 281.400 1.467 0 50 CDAA Cc1ncccc1CNC(=O)N1C[C@H](N)C2(CCC2)C1 1553511215 BWNPFCMVGDKEBJ-ZDUSSCGKSA-N 274.368 1.413 0 50 CDAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)C(=O)C(C)(C)C 952887853 CARXVIBSVMTIDT-LLVKDONJSA-N 293.367 1.542 0 50 CDAA CN(C(=O)N1C[C@@H]2CCNC[C@@H]2C1)C1CCCCC1 1875292177 ZJGRDRONNRUPJB-QWHCGFSZSA-N 265.401 1.912 0 50 CDAA CN(Cc1ccnc2ccccc12)C(=O)C1(O)CC1 1875295817 RKASXBZZXLZMQJ-UHFFFAOYSA-N 256.305 1.718 0 50 CDAA CO[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2nc(C)no2)C1 1875266938 BQNJHSSZNOVRJQ-GHMZBOCLSA-N 282.344 1.477 0 50 CDAA CC(C)n1cnnc1CC(=O)N1CC[C@@H](O)CC(C)(C)C1 1875284539 YVJBLFNPUVROLY-GFCCVEGCSA-N 294.399 1.411 0 50 CDAA C[C@H](CC(=O)NS(C)(=O)=O)N1CCCc2ccccc21 1875390711 BPZAFQRFIREBQZ-LLVKDONJSA-N 296.392 1.294 0 50 CDAA C[C@@H]1C[C@@]12NC(=O)[C@H](c1ccc(F)c(Cl)c1)NC2=O 1875319742 PSDCBXCQBRWOCC-JPRWIHHQSA-N 282.702 1.545 0 50 CDAA Cc1nc(CNC(=O)/C=C/c2cc(CO)cs2)no1 952980791 QMNQGYHGYMMXMI-NSCUHMNNSA-N 279.321 1.261 0 50 CDAA O=C(c1cn2c(n1)COCC2)N1CCOC[C@H]1CC1CC1 886474620 UZFNTPLHEYRXFN-GFCCVEGCSA-N 291.351 1.054 0 50 CDAA Cc1cc(C(=O)N[C@@H]2CCOC23CCCC3)no1 890425736 LHCLFCKBPQWZDB-LLVKDONJSA-N 250.298 1.815 0 50 CDAA Cc1cc(C(=O)N2CCOC[C@H]2CC(C)C)cc(O)n1 133780777 AVUAXIMTKUVAJU-CYBMUJFWSA-N 278.352 1.983 0 50 CDAA O=C(O)[C@@H]1CCCN(C(=O)c2cc[nH]c3nccc2-3)C1 1777613438 ZNXPXZYKUWUFEH-SECBINFHSA-N 273.292 1.451 0 50 CDAA CCN([C@H](C)C(=O)O)S(=O)(=O)c1c(C)cccc1F 899564489 JAOZLYNNUDJFTN-SECBINFHSA-N 289.328 1.618 0 50 CDAA Cn1[nH]c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1=N 1535647409 RWHGKFTVXXIPOT-VIFPVBQESA-N 281.360 1.342 0 50 CDAA Cc1nsc(C)c1Cn1cc(S(C)(=O)=O)cn1 901603169 MFQQOHOFGXIPMP-UHFFFAOYSA-N 271.367 1.408 0 50 CDAA CC(C)(C)OC(=O)NCC12CC(N)(C1)C1(CCOCC1)O2 1536221885 QDMBMNZACPOFHL-UHFFFAOYSA-N 298.383 1.321 0 50 CDAA CCc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1 19789935 WTULWBKDMVANCR-UHFFFAOYSA-N 282.409 1.326 0 50 CDAA Cc1noc([C@H]2C[C@@H](O)CN2C[C@H]2CC=CCC2)n1 275582317 PDCRHADKOYFOMJ-YNEHKIRRSA-N 263.341 1.842 0 50 CDAA C[C@H]1C[C@H](NC[C@@H](n2cncn2)C(F)(F)F)C[C@@H](C)O1 631209465 FAIWSORELASTDB-LMLFDSFASA-N 292.305 1.927 0 50 CDAA O[C@@H]1CCCC[C@@H]1[C@@H]1CCCN1c1nccn2cnnc12 281705086 BZGXJBSLIKVDAS-FRRDWIJNSA-N 287.367 1.644 0 50 CDAA C[C@H](O)CNc1cc(N2CCC[C@@H](F)C2)ncn1 581930765 JIXLEOOSLZHNAD-VHSXEESVSA-N 254.309 1.208 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 95707318 HZMYOCGJMSBEDV-SSDOTTSWSA-N 265.256 1.963 0 50 CDAA in-vitro CO[C@@H]1CN[C@H](C(=O)NCC2(c3ccccc3C)CC2)C1 583617583 DGEZTICFHXVRNH-ZFWWWQNUSA-N 288.391 1.520 0 50 CDAA CC[C@H](NC(=O)Nc1cccc(C)n1)C(OC)OC 585141068 PCYRCSDYYXPZJU-JTQLQIEISA-N 267.329 1.909 0 50 CDAA CC[C@@H](C)N(CCO)S(=O)(=O)c1sccc1OC 585114450 AVWICBNEBGMMCL-SECBINFHSA-N 293.410 1.538 0 50 CDAA FC(F)(F)c1ccc(N2CCn3cnnc3C2)nn1 408058848 NFEMLSXWKUWCHO-UHFFFAOYSA-N 270.218 1.107 0 50 CDAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccn1 250263573 ZFYQISUCLWVMQZ-UHTWSYAYSA-N 274.320 1.940 0 50 CDAA CCn1cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)cn1 188899514 RRZYBIZYBDPBRD-CYBMUJFWSA-N 280.416 1.180 0 50 CDAA CCNC(=O)C(C)(C)NC(=O)[C@H](OC)c1ccccc1 413859732 LCINNARIURAVLI-GFCCVEGCSA-N 278.352 1.405 0 50 CDAA Cc1ccnc(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)n1 194650968 SLGAZWQLKIYHAE-NEPJUHHUSA-N 279.340 1.698 0 50 CDAA C[C@@H]1CCN(C(=O)c2nc[nH]c3nccc2-3)[C@H](C(=O)O)C1 659156242 KJXAZCQTXPSJHV-SCZZXKLOSA-N 288.307 1.235 0 50 CDAA CCc1cc(N[C@H]2CCNC[C@@H]2O)n2nc(C)c(C)c2n1 216526512 CIFKXQZFXXHHOP-STQMWFEESA-N 289.383 1.043 0 50 CDAA CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C 6746577 AUBLZKJJEIDQMP-UHFFFAOYSA-N 299.392 1.805 0 50 CDAA CC(C)[C@@](C)(CN)NS(=O)(=O)c1ccccc1 131178346 UZIDXYDYYHANSF-GFCCVEGCSA-N 256.371 1.338 0 50 CDAA Cc1cc(C(=O)NCCn2cnc(C)c2C)ccc1O 216317147 VDRLTFRXXXSPFB-UHFFFAOYSA-N 273.336 1.944 0 50 CDAA CCC=CCCN1C[C@H](OC)C[C@H]1c1nc[nH]n1 1857533429 LOGNRYSCMUBHNT-NEPJUHHUSA-N 250.346 1.923 0 50 CDAA O=C(CCC(F)(F)F)N[C@H]1CCCOC12CCNCC2 1857683363 REBUFOUUTZPJDP-JTQLQIEISA-N 294.317 1.746 0 50 CDAA CN1C[C@@H](Cn2ccnc2-c2cccnc2)CC1=O 1857710145 JOUAEADUXIINGH-NSHDSACASA-N 256.309 1.423 0 50 CDAA Nc1ccc(O)cc1C(=O)N(CCO)Cc1cccs1 1529169020 QGQZAHMNKYVDCS-UHFFFAOYSA-N 292.360 1.671 0 50 CDAA CC(C)N(C)CC(=O)N1CC[C@@](CO)(C(C)C)C1 378032193 CCQDHYLHZUDCCP-CQSZACIVSA-N 256.390 1.194 0 50 CDAA Nc1ccc(I)nc1Cl 35270432 LXHPKNMJRJBWRP-UHFFFAOYSA-N 254.458 1.922 0 50 CDAA in-vitro N[C@H](c1ccccc1)c1nnc(NC[C@@H]2CCCO2)o1 1772711171 WHTYUJYTZNDWBW-NWDGAFQWSA-N 274.324 1.709 0 50 CDAA c1cnc(-c2n[nH]c(CNc3ncnc4cc[nH]c34)n2)cn1 1772810368 LBRVNERDKQGBQS-UHFFFAOYSA-N 293.294 1.145 0 50 CDAA CC(C)n1cnnc1CN(C)CC[C@H]1COCCO1 1775978099 LOXYRJAAMYEBOK-LBPRGKRZSA-N 268.361 1.096 0 50 CDAA C[C@@H]1CN(CC(=O)NCCc2ccccc2)C[C@@H](C)O1 20572390 ZRQVQXPNBKLCNG-ZIAGYGMSSA-N 276.380 1.455 0 50 CDAA COc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1 11730538 OGROOQAMVOZWDS-UHFFFAOYSA-N 259.265 1.852 0 50 CDAA O=C(O)CSCc1nnnn1-c1ccc(F)cc1 13624123 HSDDXRWTIOTSEH-UHFFFAOYSA-N 268.273 1.119 0 50 CDAA CC(C)OCc1noc(CN2[C@H](C)CC(O)C[C@H]2C)n1 1647451881 GRKVEDNBCIAALJ-GHMZBOCLSA-N 283.372 1.728 0 50 CDAA C[C@H]1CN(C[C@H](O)COc2ccccc2F)C[C@@H](C)O1 16286309 OIWLNRBYJZIGLL-XQQFMLRXSA-N 283.343 1.675 0 50 CDAA Cc1cc2c(=O)n(C)c(SCCC(=O)O)nc2s1 16622440 AFDJHZWCYKOJIW-UHFFFAOYSA-N 284.362 1.870 0 50 CDAA O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cnccn1 19112436 BOCDSGZKVJKUEA-UHFFFAOYSA-N 285.282 1.465 0 50 CDAA CCn1ncc(NC(=O)Cn2ccc3ccccc32)n1 200544108 IWOFSPIHTJFDHY-UHFFFAOYSA-N 269.308 1.891 0 50 CDAA Cc1ccc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)o1 643755398 SZPGQBHCPAAUQH-HNNXBMFYSA-N 280.368 1.393 0 50 CDAA Cc1[nH]nc2ncc(NC(=O)[C@H]3CCc4c[nH]nc4C3)cc12 673935314 WGSOXAMWPLSXML-VIFPVBQESA-N 296.334 1.733 0 50 CDAA CCO[C@@H]1C[C@H](NC(=O)[C@H]2COCCN2)C1(CC)CC 253430189 DVLFEQBGHGQWHA-FRRDWIJNSA-N 284.400 1.075 0 50 CDAA CCCC[C@H]1CCC[C@@H]1NC(=O)c1cn(C)nn1 253426429 HGLUTABVPWCEHO-QWRGUYRKSA-N 250.346 1.904 0 50 CDAA CS[C@H](C)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 154144268 XDHYTWPPNKEFRQ-GHMZBOCLSA-N 282.413 1.257 0 50 CDAA CC1(c2ccccc2)CC(NC(=O)[C@@H]2C[C@H]2C(=O)O)C1 263580227 VRLZTRFWDRXKPX-LGESCRJUSA-N 273.332 1.944 0 50 CDAA C=CC(=O)N(CC)CC(=O)N1CCCC[C@H]1C(=O)CC 901259463 LDGNORBPRLTPGM-LBPRGKRZSA-N 280.368 1.381 0 50 CDAA Cc1nccn1CCn1cc(CO[C@@H]2CCCCO2)nn1 905795319 OTAXPOIQCBLDDB-CQSZACIVSA-N 291.355 1.526 0 50 CDAA C=CC(=O)N1CCN(c2nc3ccccc3o2)CC1 848979448 WUXLNUBHOXGFML-UHFFFAOYSA-N 257.293 1.662 0 50 CDAA CCc1cc(C)nc(N2CCC(O)(CN(C)C)CC2)n1 823499326 PZTCRNFOEFYKLA-UHFFFAOYSA-N 278.400 1.240 0 50 CDAA O=C(NCc1cccnc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 222438827 JSZGNPPTEGDQCN-ZDEQEGDKSA-N 274.320 1.445 0 50 CDAA C[C@@H](N)[C@@H]1CCCCN1C(=O)CCc1ccncc1 129929112 HVSDINBTYOAQNW-OCCSQVGLSA-N 261.369 1.743 0 50 CDAA O=C(O)CN(C(=O)Cc1cccs1)C1CCOCC1 238100054 QBELQBDYIUUKIH-UHFFFAOYSA-N 283.349 1.383 0 50 CDAA NC(=O)CN(C(=O)c1c(O)cccc1F)C1CCCC1 131400759 BUGJNUFMUJHMRX-UHFFFAOYSA-N 280.299 1.401 0 50 CDAA Cc1nccn1[C@@H](C)C(=O)NCC1(CO)CCC1 426420022 GMSZJKWUXTTZSZ-JTQLQIEISA-N 251.330 1.031 0 50 CDAA CC(C)(C)n1nnc(Cn2cc(Cl)ccc2=O)n1 655678137 BICDWVGZFIXCPB-UHFFFAOYSA-N 267.720 1.292 0 50 CDAA COCc1cc(CN2CCC[C@@](C)(OC)C2)no1 459528569 NWWFQGYGCOVRKW-CYBMUJFWSA-N 254.330 1.822 0 50 CDAA CC(=O)N[C@@H]1C(=O)Nc2c1cccc2C(F)(F)F 527873 FAYWFKQYZYOVAO-VIFPVBQESA-N 258.199 1.835 0 50 CDAA N=c1[nH]nc(-c2ccc(-c3ccc(C(N)=O)cc3)o2)[nH]1 2100473643 RFAJFVKTRGRWEE-UHFFFAOYSA-N 269.264 1.243 0 50 CDAA CO[C@@H](C(=O)N1CCC[C@@H](N)[C@H]1C)c1ccccc1 297459879 XIJCYQGPGMOIJT-MRVWCRGKSA-N 262.353 1.712 0 50 CDAA c1cc(N2CCO[C@H](c3nc(C4CC4)no3)C2)ncn1 2325775654 XLERZJRTXHXSGC-JTQLQIEISA-N 273.296 1.315 0 50 CDAA Cc1cc(C)n(-c2ccnc(NCc3cc[nH]n3)n2)n1 2325840063 NRDRYMCTWUMZFO-UHFFFAOYSA-N 269.312 1.614 0 50 CDAA COc1ncccc1NC(=O)N1CC[C@H]2[C@@H](CCN2C)C1 866154355 VKFPGZQBGGNRAN-AAEUAGOBSA-N 290.367 1.648 0 50 CDAA NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O 175197 NVCLIPOMSILWGJ-UHFFFAOYSA-N 297.314 1.146 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COc1cc(/C=C2/SC(=O)N(CO)C2=O)ccc1O 1021358 LECAAIPTSHFCKL-BJMVGYQFSA-N 281.289 1.387 0 50 CDAA CC(=O)c1cnc(N[C@H]2CCCCNC2=O)nc1C 1704312869 DCJUCLSAKKPVKV-NSHDSACASA-N 262.313 1.068 0 50 CDAA CC1=CC2(CCN(C(=O)c3cn[nH]c3)CC2)OCC1 1704342824 FHTZTEJEBRHZDA-UHFFFAOYSA-N 261.325 1.751 0 50 CDAA CCC[C@]1(CO)CCN(c2nc(C)cnc2C)C[C@@H]1O 1875242390 PWVJCAOPWBSXCP-DZGCQCFKSA-N 279.384 1.443 0 50 CDAA C[C@@H]1CNCC[C@H]1NS(=O)(=O)CCCC(F)(F)F 213713400 YEFVIVWDBCDPHF-RKDXNWHRSA-N 288.335 1.246 0 50 CDAA N[C@]12CCC[C@@H]1CN(C(=O)c1nncc3ccccc13)C2 1614616064 TWJFIPBLVNZXIE-WBMJQRKESA-N 282.347 1.583 0 50 CDAA O=C(O[C@@H]1CCOC1)N1CC(Nc2ccccc2)C1 1615001907 KLYFAMUARNEYOS-CYBMUJFWSA-N 262.309 1.708 0 50 CDAA Nc1ccn2ncc(C(=O)N[C@H]3CCC[C@H](F)C3)c2c1 1615553360 KMALRYWYKYLNOU-ONGXEEELSA-N 276.315 1.927 0 50 CDAA O=C1NC[C@H](Cc2ccccc2)C(=O)N1Cc1ccncc1 1615586609 PQLJDBYOAPZYJJ-HNNXBMFYSA-N 295.342 1.992 0 50 CDAA Cc1c(C(=O)N(C)C2CCNCC2)cnn1C(C)(C)C 125273478 ZNZFRHJSUZGAKQ-UHFFFAOYSA-N 278.400 1.771 0 50 CDAA O=C(O)CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 238160945 PVAUCDKHILGVKS-NSHDSACASA-N 273.691 1.937 0 50 CDAA COc1ccc(OC)c(COC[C@H](O)CN(C)C)c1 12420253 JDLJMJQQOOHSLS-GFCCVEGCSA-N 269.341 1.143 0 50 CDAA CCc1ncc(C(=O)N2CCC[C@@H](C(=O)O)C2)s1 133059689 OMUMVWJUTRQYHL-MRVPVSSYSA-N 268.338 1.642 0 50 CDAA Cn1c(C(=O)NS(C)(=O)=O)ccc1-c1ccc(F)cc1 1875391102 GUXXIVHIJTZYHN-UHFFFAOYSA-N 296.323 1.521 0 50 CDAA C[C@@H](Cc1cccnc1)NC(=O)c1cncc(F)c1 1627642203 GHRGDTGBOOVRCN-JTQLQIEISA-N 259.284 1.977 0 50 CDAA C[C@H]1CN(C(=O)CCN)C[C@H](c2ccc(F)cc2)O1 161562111 QCIYYPGCUWECFW-GXFFZTMASA-N 266.316 1.463 0 50 CDAA COc1ccc(Nc2nccc(NCCO)n2)cc1 13829356 LKBSMPFEKIBRGC-UHFFFAOYSA-N 260.297 1.633 0 50 CDAA in-vitro Cc1ncoc1C(=O)NCc1cccnc1N(C)C 14980722 BBILQQQGGNAAEL-UHFFFAOYSA-N 260.297 1.374 0 50 CDAA COC[C@@H](O)CS(=O)(=O)Cc1ccc(Cl)cc1 16513177 DVUVGLFFHDTAIA-LLVKDONJSA-N 278.757 1.262 0 50 CDAA O=Cc1ccccc1OCCCCN1CCOCC1 19094047 SVMMWSZZUKPVDE-UHFFFAOYSA-N 263.337 1.990 0 50 CDAA CN(Cc1ccco1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 328629524 OXDWKZSNEWWLJO-UONOGXRCSA-N 289.335 1.749 0 50 CDAA C[C@@H]1CC[C@H](CCC(=O)N2CCC(C(=O)O)CC2)O1 237385456 CLIQXSHXQKGGTE-ZYHUDNBSSA-N 269.341 1.657 0 50 CDAA C[C@H](O)CN1CCN(Cc2ncc(C(C)(C)C)o2)C[C@H]1C 241588368 PCMDBYWDCVKEEB-OLZOCXBDSA-N 295.427 1.859 0 50 CDAA O=C(NCCn1ccnn1)[C@H]1CCc2ccccc21 679856197 DFIKZFACFUVXDD-ZDUSSCGKSA-N 256.309 1.124 0 50 CDAA CN1CC[C@H](C(=O)Nc2ccccc2CC(=O)O)CC1=O 262525936 RRAYUABOVBMPDZ-NSHDSACASA-N 290.319 1.121 0 50 CDAA COC(=O)[C@@H](C)NC(=O)c1ccc(N2CCC(C)=N2)cc1 163134092 UVDMHVMOLGDMNB-LLVKDONJSA-N 289.335 1.564 0 50 CDAA CC(C)n1cc(S(=O)(=O)N(C)c2cnn(C)c2)cn1 266230790 UMRRFBPVFXPGIP-UHFFFAOYSA-N 283.357 1.023 0 50 CDAA CCn1ncc(CNc2nccnc2Br)n1 1775990910 GIMWFKCHYUOATH-UHFFFAOYSA-N 283.133 1.463 0 50 CDAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccccc1F)C2 1704327406 DMNBAPXABFINFB-RYUDHWBXSA-N 278.327 1.228 0 50 CDAA CN(C)c1ncc(Br)cc1C(=O)N1CCC1 113142806 CJZXYBRYQQKVTK-UHFFFAOYSA-N 284.157 1.756 0 50 CDAA CCn1ccc(C(=O)Nc2ccccc2C(=O)OC)n1 800720 JFUCHZLOEUFHFQ-UHFFFAOYSA-N 273.292 1.942 0 50 CDAA C[C@H](N1CCN([C@@H]2CCCC[C@@H]2O)CC1)C(F)(F)F 119310182 HEFQBLKYQXOKIC-TUAOUCFPSA-N 280.334 1.858 0 50 CDAA NC[C@H]1CCCCN1C(=O)CCOc1ccccc1F 130933278 BWLCXHONHVHYHN-GFCCVEGCSA-N 280.343 1.934 0 50 CDAA COc1ccc(CCCC(=O)NC2CCNCC2)cc1 262524587 ZUJRSFDRMJRRBP-UHFFFAOYSA-N 276.380 1.886 0 50 CDAA C[C@H]1CN(CCOc2ccc(S(N)(=O)=O)cc2)[C@H]1C 293267650 BUOJQFRTCIXFBF-QWRGUYRKSA-N 284.381 1.053 0 50 CDAA C[C@@H]1CCNC[C@H]1NC(=O)c1ccc(C(=O)O)cc1 521444034 LYZOWQUYZBQONA-BXKDBHETSA-N 262.309 1.113 0 50 CDAA CCn1nccc1CN(C)C[C@H]1CCc2nccn2C1 328628074 GXXBUGSTSSOXOA-CYBMUJFWSA-N 273.384 1.794 0 50 CDAA O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCc2ncnc(O)c2C1 330183461 PXLHUYFJSHXRIT-DCAQKATOSA-N 271.320 1.279 0 50 CDAA Cn1ccc(N2CC[C@@H](N3CCSC(C)(C)C3)C2=O)n1 370236471 RQBOOUYAWFGZNH-LLVKDONJSA-N 294.424 1.353 0 50 CDAA Cc1nn(C)c(C)c1CN(C)Cc1c[nH]c(=N)s1 584897716 BFFGKUONRKQCCM-UHFFFAOYSA-N 265.386 1.538 0 50 CDAA O=C(O)C[C@H]1CCCN(C(=O)c2ccncc2F)CC1 585655521 GULIEOFNWDWERH-JTQLQIEISA-N 280.299 1.938 0 50 CDAA Oc1ccc(Cl)c(Cn2cc(C[C@H]3CCCN3)nn2)c1 2325796373 LSBKPRDGWNUANU-LLVKDONJSA-N 292.770 1.980 0 50 CDAA CC[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CCNC1=O 2325800201 WDAOHUKSPJWVKC-MIJXAVMKSA-N 250.342 1.208 0 50 CDAA CC[C@H](C)C(=O)C(=O)N[C@H](C(=O)N1CCCCC1)C(C)C 2325811301 NDRQCPVMJYHAHI-STQMWFEESA-N 296.411 1.755 0 50 CDAA CN(C[C@@H]1COCCO1)C1=NC[C@@H](c2ccccc2)N1 2325864196 IOEWLBJMDBFMHC-KGLIPLIRSA-N 275.352 1.034 0 50 CDAA CC(=O)NC1=NN(C(C)=O)[C@](C)(c2ccccc2)S1 54577 JEFVYQYZCAVNTP-ZDUSSCGKSA-N 277.349 1.862 0 50 CDAA in-vitro Cc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 77124 FZZKHTPWUCGKML-UHFFFAOYSA-N 289.364 1.680 0 50 CDAA O=C(NC1CC1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 175920 CMMPHOLZZQRHAE-VIFPVBQESA-N 278.739 1.972 0 50 CDAA CCOC(=O)CC[C@@H](C(=O)OCC)[C@H](C)C(=O)OCC 1699075 BRKHUIZBJQMMQJ-WDEREUQCSA-N 288.340 1.708 0 50 CDAA Cn1ccc2ccc(C(=O)N3CC[C@@H](c4cc[nH]n4)C3)nc21 2356155627 KJMDKAZTTWDQAS-GFCCVEGCSA-N 295.346 1.926 0 50 CDAA O=C(NCCCN1CCCC1=O)c1ccc2c(c1)OCO2 3613403 OJHGAPSQCRHYGH-UHFFFAOYSA-N 290.319 1.158 0 50 CDAA CC(C)n1cc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cn1 344717421 QRCVOAMXGTZKAB-BZUAXINKSA-N 293.411 1.826 0 50 CDAA CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1 4819785 IBAWGMXJOKWKQF-UHFFFAOYSA-N 262.353 1.863 0 50 CDAA CC1(C)C[C@H](NCc2cccc(NS(C)(=O)=O)c2)CO1 417851296 FUYXRKJXNCRZPD-ZDUSSCGKSA-N 298.408 1.715 0 50 CDAA CC1=C[C@H]2[C@H]3C[C@]3(C)[C@H]1n1c(=O)n(-c3ccccc3)c(=O)n12 101049049 UOEBARVGVVQSGA-FHIRATQRSA-N 295.342 1.883 0 50 CDAA COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1O 9188274 YCGHJCPOHYWCTG-JTQLQIEISA-N 267.350 1.845 0 50 CDAA Cc1cc(C)nc(N2CCN(CCc3ccncc3)CC2)n1 123207745 KMDHXXWJUGHHJW-UHFFFAOYSA-N 297.406 1.853 0 50 CDAA C[C@H]1COCCN1C(=O)c1snc(O)c1Cl 283034443 RJDNZQRGWPYJKA-YFKPBYRVSA-N 262.718 1.363 0 50 CDAA CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(C[C@H](C)O)CC2)C1(C)C 248200611 VKHQEPYAGDBIKO-RRFJBIMHSA-N 294.439 1.750 0 50 CDAA COc1cccc([C@@H]2CCN(Cc3ncc[nH]3)C[C@H]2O)c1 65371944 HKZAEFPANZJNDA-LSDHHAIUSA-N 287.363 1.769 0 50 CDAA CN(C)c1ncc(CN2CCCc3c(cnn3C)C2)n1C 425372098 RRBQOLDMTKMPDE-UHFFFAOYSA-N 288.399 1.168 0 50 CDAA COc1ccc2c(=O)n(CC3(O)CCC3)cnc2c1 346888087 PDHJFPRMWVWBES-UHFFFAOYSA-N 260.293 1.320 0 50 CDAA C[C@H]1CCCN(C(=O)Cc2ccccc2C(=O)O)[C@H]1CN 314565393 QCVUKQKINRGEMN-FZMZJTMJSA-N 290.363 1.513 0 50 CDAA C[C@H](OC(=O)[C@H](C)N(C)CC(F)(F)F)[C@H]1CCOC1 248659540 CNHCTEJWZIYUCS-GUBZILKMSA-N 283.290 1.837 0 50 CDAA CN1CCC(Oc2ccccc2-n2cnnc2)CC1 65386646 FBKBYPZSMIIVGD-UHFFFAOYSA-N 258.325 1.740 0 50 CDAA COc1ccccc1OCCN1CCC[C@@H](NCCO)C1 864097426 VHOAWWNQYAFFRA-CQSZACIVSA-N 294.395 1.120 0 50 CDAA CN(C[C@H]1CCn2ccnc2C1)C(=O)CCc1ccccn1 328627558 MWQNRWSFFAKSSV-AWEZNQCLSA-N 298.390 1.932 0 50 CDAA O=C(CCCOc1cccc(F)c1)N1C[C@@H](F)C[C@@H]1CO 347413711 QYVHZDJSMYRVRE-QWHCGFSZSA-N 299.317 1.916 0 50 CDAA CCOC(=O)c1cnc2ccnn2c1/C=C/N(C)C 64864814 YNSCSRJISOVTFF-SOFGYWHQSA-N 260.297 1.438 0 50 CDAA Cc1n[nH]c(C)c1[C@@H](NC(=O)CC(F)(F)F)C(=O)O 67677701 HBZKXUGQGOMUHR-MRVPVSSYSA-N 279.218 1.221 0 50 CDAA COC[C@H]1CN(Cc2ncnn2C(C)C)CC(C)(C)O1 330523029 JGWHAIOPMDUUJA-GFCCVEGCSA-N 282.388 1.485 0 50 CDAA NC(=O)[C@@]1(O)CCCN(c2ccc3ccc(F)cc3n2)C1 284475865 BLCWPXXNARWTGZ-OAHLLOKOSA-N 289.310 1.191 0 50 CDAA CN(c1ccn(C)n1)S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F 606444556 CNVZQFAMTWSIEV-MRVPVSSYSA-N 293.339 1.477 0 50 CDAA C[C@H](NC(=O)c1cn[nH]c1)c1nc(-c2ccncc2)no1 215500079 GNIBIIJKPUTZEI-QMMMGPOBSA-N 284.279 1.346 0 50 CDAA Cc1c(C(N)=O)sc2sc(C(N)=O)c(C)c12 214078292 TVBKKGMBVNYGSJ-UHFFFAOYSA-N 254.336 1.777 0 50 CDAA O=C(CN1CCC[C@@H]1C(=O)O)Nc1nc2c(s1)CCC2 238097595 GYSXROWDYFBGLU-SECBINFHSA-N 295.364 1.119 0 50 CDAA C[C@@H](NC(=O)c1ccc(C(=O)O)o1)[C@@H]1CCCO1 132604543 NSGBOGLXAFFJRZ-SFYZADRCSA-N 253.254 1.275 0 50 CDAA C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)[C@H](C)CN1C 336410510 SOQNDHNAELJGHS-CHWSQXEVSA-N 272.392 1.952 0 50 CDAA CN(C)C[C@]1(O)CCN(Cc2ccc3[nH]ccc3c2)C1 72432469 BANFVMMRQSBSPV-MRXNPFEDSA-N 273.380 1.666 0 50 CDAA COc1ccc(CC(=O)N2CCC[C@](C)(O)CC2)nc1 366249062 OCFNUFKWXNOAIW-HNNXBMFYSA-N 278.352 1.396 0 50 CDAA O=C(c1ccccc1)c1ccccc1C(=O)N1CC(CO)C1 156988970 AJOSFKGQSBVYOF-UHFFFAOYSA-N 295.338 1.982 0 50 CDAA C[C@@](O)(CNc1cnc2cc(F)c(F)cc2n1)C(=O)O 263561816 SEKBWHJEEKULAB-GFCCVEGCSA-N 283.234 1.156 0 50 CDAA CCOC(=O)c1cn(CCNc2ncc(F)cn2)cn1 288524915 WJQHPVCTFOVLHJ-UHFFFAOYSA-N 279.275 1.101 0 50 CDAA Cc1ccc(-c2noc(CN3CCCCC3=O)n2)nn1 82160287 HLCGAZJQBJMRNK-UHFFFAOYSA-N 273.296 1.348 0 50 CDAA Cc1cnccc1N1CCCN(C(=O)[C@H]2CCOC2)CC1 82107315 DNXHWEBWEYUAIA-AWEZNQCLSA-N 289.379 1.465 0 50 CDAA Cc1nc2ccccc2c(=O)n1N1[C@H]2CCCC[C@H]21 136501939 WLQRUURXLKFIMR-UUVAVEHKSA-N 255.321 1.968 0 50 CDAA CCCN1C[C@@H](C(=O)NCCc2cccn2C)CCC1=O 426536540 RYOCGGQHJKSVEB-ZDUSSCGKSA-N 291.395 1.332 0 50 CDAA COc1ccc(C(=O)N(CC(=O)O)CC(C)C)o1 426381454 NEFVHLXEIJBKEP-UHFFFAOYSA-N 255.270 1.471 0 50 CDAA COCCn1cnnc1[C@H](C)NC(=O)c1ccc(C)s1 220754386 KEXUPWYEGOWNTP-JTQLQIEISA-N 294.380 1.785 0 50 CDAA O=C(Nc1ccccn1)C1CCC(Cn2cnnn2)CC1 223217210 OLCJTBOECWPNMK-UHFFFAOYSA-N 286.339 1.513 0 50 CDAA CCO[C@@H](CC)C(=O)N1CCC2(CC1)C[C@H]2C(=O)O 531743343 YZWRSTWMYXKMJH-QWRGUYRKSA-N 269.341 1.515 0 50 CDAA COc1cccc(-n2c(CN)nnc2SC[C@H](C)O)c1 426409099 SDLYGQZPIVYYKE-VIFPVBQESA-N 294.380 1.208 0 50 CDAA N[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 237850549 HEFXKEVDVXPODQ-HNNXBMFYSA-N 273.380 1.456 0 50 CDAA Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)cn1 237998122 RDCZMMMSVGSZQK-DLOVCJGASA-N 260.341 1.523 0 50 CDAA CSCCC(=O)N1CCC[C@H](c2ccn(CCO)n2)C1 426491008 DTQSIYWNOSMYRC-LBPRGKRZSA-N 297.424 1.335 0 50 CDAA CCOC(=O)C1=CN2CC=CC(Br)=C2N1 238295841 JLLPJCVUILYICJ-UHFFFAOYSA-N 271.114 1.430 0 50 CDAA C[C@H]1CN(C(=O)[C@H](C)NC(=O)c2cccs2)C[C@@H](C)O1 180719747 WTLGNKONVICJCF-AXFHLTTASA-N 296.392 1.502 0 50 CDAA Cc1ccc(CN2C[C@H](CO)[C@H](CN(C)C)C2)c(C)c1 91426865 LBXIJMJXHPFOIR-IAGOWNOFSA-N 276.424 1.905 0 50 CDAA Cc1ccc(=O)n(Cc2ncnn2CCc2ccccc2)n1 96136012 IYJFCZIALIMGEY-UHFFFAOYSA-N 295.346 1.434 0 50 CDAA CCc1c(C)nc(N)nc1N[C@H](C)c1nc(C)n[nH]1 91526314 NRBHYGWGYCMJEN-SSDOTTSWSA-N 261.333 1.529 0 50 CDAA O=C(C1CC1)N1CCN(Cc2ccccc2)C[C@H](O)C1 95523355 CLEJMYNLUAPCSY-HNNXBMFYSA-N 274.364 1.102 0 50 CDAA C[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)O 237468268 WVPYGBCKAFDQTL-QMMMGPOBSA-N 279.340 1.718 0 50 CDAA CC(C)(C)OC(=O)N1CC(c2nocc2C(=O)O)C1 521400382 JHKUVIPCGKKFKK-UHFFFAOYSA-N 268.269 1.707 0 50 CDAA CN1C[C@@H]2CCC[C@H](O)[C@H]2[C@@]2(CCCCC2=O)C1 245255179 FYBWQOYLTXRONY-JURCDPSOSA-N 251.370 1.839 0 50 CDAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2ccncc2F)CC1 244691636 JGHORNOVIYUDPB-XYPYZODXSA-N 293.342 1.503 0 50 CDAA Cc1cnn([C@@H](C)C(=O)NCCc2nc(C(C)C)no2)c1 244741869 NYEZCXMCHWOAIU-NSHDSACASA-N 291.355 1.618 0 50 CDAA O=C(c1ccc(O)nc1)N1CCN(C2CCCC2)C(=O)C1 253536139 JFIGMPVGONTGNY-UHFFFAOYSA-N 289.335 1.014 0 50 CDAA Cn1nc(C(F)F)cc1C(=O)NCC[C@@H]1CCCOC1 534635554 DDEXDPFUQJGDNY-VIFPVBQESA-N 287.310 1.904 0 50 CDAA O=C(O)CNc1ncc(CN2C[C@@H]3CCC[C@H](C3)C2)cn1 534582441 BXTKQGPKGVIDME-VXGBXAGGSA-N 290.367 1.595 0 50 CDAA Cn1nc(-c2cccc(C(N)=O)c2)nc1N1CCCCC1 534676943 BHIKZABXBTUMTC-UHFFFAOYSA-N 285.351 1.571 0 50 CDAA Cc1cc(C2CCC2)nc(N2C[C@@H]3NCCO[C@H]3C2)n1 534591403 GBLZMBHSZLMYFL-KBPBESRZSA-N 274.368 1.230 0 50 CDAA O=C(O)c1cccc(CN2CCC[C@@H]2Cn2cccn2)n1 534592214 QPXJSXNCZWOVMS-CYBMUJFWSA-N 286.335 1.641 0 50 CDAA O=C(NCCCc1nc2ccccc2s1)[C@H]1C=CCN1 534653605 ZEGUQUKDYPTHOB-GFCCVEGCSA-N 287.388 1.873 0 50 CDAA CC(C)C[C@H]1NC(=O)c2ccccc2N(CC(=O)O)C1=O 390834884 LULOCFKGSGUVNX-LLVKDONJSA-N 290.319 1.262 0 50 CDAA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1cc[nH]c1 828247894 GDFMJVBTNUJUAO-NSHDSACASA-N 275.352 1.536 0 50 CDAA Nc1nc(CCNC(=O)c2cc(C3CC3)no2)cs1 827597843 VARUNPKMSWLFAV-UHFFFAOYSA-N 278.337 1.563 0 50 CDAA Cn1c(=O)ncc2c(=O)n(CCC3=CCCCC3)cnc21 584888018 VKHYEZKPWUCDJP-UHFFFAOYSA-N 286.335 1.381 0 50 CDAA O=C(NCC1CCN(Cc2ccoc2)CC1)[C@H]1CCOC1 827778564 KHGRLIBEZYVKGO-HNNXBMFYSA-N 292.379 1.644 0 50 CDAA Cc1ocnc1C(=O)N1CCC(Cn2ccnc2)CC1 584901128 ONZKICNHOYRKFD-UHFFFAOYSA-N 274.324 1.732 0 50 CDAA O=C(NCc1nncn1CCc1ccccc1)c1cc[nH]c1 828138380 KNBJYZDDYISVTN-UHFFFAOYSA-N 295.346 1.779 0 50 CDAA CO[C@H]1CN(C(=O)CCc2ccc(C)cc2)C[C@@H]1O 584903046 HFAZHFUOGXVYQN-KBPBESRZSA-N 263.337 1.146 0 50 CDAA C[C@@H](CN1CCN(C)CC1)N1CCC2(CCCC2)C1 670471042 HDHQZPCYPJBNBZ-HNNXBMFYSA-N 265.445 1.888 0 50 CDAA CC1(C)C[C@@H](O)CCN(C(=O)CN2CCCCC2=O)C1 670447792 FIIALVLYMNNAQZ-LBPRGKRZSA-N 282.384 1.008 0 50 CDAA O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCN1 670453895 LTDKYZLYQPPANU-NSHDSACASA-N 292.770 1.627 0 50 CDAA Cc1ccoc1C(=O)NCCN1CCCC[C@@H]1CO 670459793 PQVGUGPSGMSWCY-GFCCVEGCSA-N 266.341 1.165 0 50 CDAA CN(C)C(=O)[C@@H]1CCN(C[C@@H]2COC3(CCCCC3)O2)C1 952883226 YAGHHSLSIIVZSL-ZIAGYGMSSA-N 296.411 1.472 0 50 CDAA Cc1nonc1CNC(=O)N1CC[C@H](N2CCCC2)[C@H]1C 876438302 YBGREDGIDSFNDI-YPMHNXCESA-N 293.371 1.146 0 50 CDAA Cc1nccc([C@H](C)N[C@@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)n1 1875271153 COBWKIAQUMCYCH-FPBWHMEOSA-N 259.353 1.859 0 50 CDAA Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)cn1 1875277781 GAQNVDLOHFNQQX-REWJHTLYSA-N 290.367 1.587 0 50 CDAA C[C@H](ONC(=O)[C@H]1CCCCO1)c1ccncc1 1875298306 WKNFIBHVLMPVQR-CMPLNLGQSA-N 250.298 1.760 0 50 CDAA Cn1c(O)nc2ccc(-c3cc(CN)ccn3)cc21 1875346382 BXSYYFAMUUZFLB-UHFFFAOYSA-N 254.293 1.800 0 50 CDAA C=CC(=O)N[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O 1875366791 ZOKSTYYCYWNGRI-ZWNOBZJWSA-N 276.311 1.790 0 50 CDAA CN1[C@H]2CC[C@H]1CC(O)([C@H](N)c1nccs1)C2 958528083 JEIJKSDVYYUASY-LPEHRKFASA-N 253.371 1.131 0 50 CDAA Cc1cc(CNC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)on1 272479854 RJZMZXZASCFVRL-AAEUAGOBSA-N 278.356 1.219 0 50 CDAA CN(C)CCc1cn(C[C@H](O)c2ccccc2Cl)nn1 881425484 YQOYXZZYYUZOMP-AWEZNQCLSA-N 294.786 1.769 0 50 CDAA CC(C)c1ncsc1NC(=O)COCc1nncn1C 1411394934 YPQJVZNOMRQELU-UHFFFAOYSA-N 295.368 1.550 0 50 CDAA O=C1NCCC[C@@H]1C(=O)Nc1cc2ccccc2cn1 1775993771 KEJFFCQIWIUXNZ-LBPRGKRZSA-N 269.304 1.700 0 50 CDAA CS(=O)(=O)Nc1ccccc1[S@](=O)C(F)(F)F 1775999693 UTARKKNPCAJEGP-INIZCTEOSA-N 287.284 1.686 0 50 CDAA CC(C)(C)OC(=O)N1C[C@]2(CC2(F)F)[C@@H]1C(=O)O 1536219922 XVQDSBDLNVUPSN-QUBYGPBYSA-N 263.240 1.716 0 50 CDAA CC[C@@H]1CN(Cc2ncnn2CC)CC[C@]1(C)O 1565510312 OVAIDFQNOWVXOL-YPMHNXCESA-N 252.362 1.281 0 50 CDAA O=C(O)[C@@H](C1CC1)n1nc(-c2ccco2)oc1=O 630381502 SLYDVMYBDYYUQK-MRVPVSSYSA-N 250.210 1.132 0 50 CDAA C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCOC1)c1ccccn1 275265668 IPIGIUJFOVXNSG-MNOVXSKESA-N 286.335 1.800 0 50 CDAA COC(=O)[C@H](C)NC(=O)c1ccc2nc(S)oc2c1 170632025 PPIUFJUZHLGNTJ-LURJTMIESA-N 280.305 1.408 0 50 CDAA Cn1nncc1/C=C/c1ncc(/C=C/C(=O)O)s1 170655145 XLESPMLMOGXBOV-ZUVMSYQZSA-N 262.294 1.540 0 50 CDAA CCS(=O)(=O)c1ccccc1NCCc1ccnn1C 170604530 KMRRVQIPGLCQQX-UHFFFAOYSA-N 293.392 1.868 0 50 CDAA O=c1[nH]cc(I)c2cccnc12 91690753 ZOBLPSZOJDYXDX-UHFFFAOYSA-N 272.045 1.528 0 50 CDAA in-vitro C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cnn(C)c1 188507631 IGABOLZDXPQOKR-JQWIXIFHSA-N 251.330 1.194 0 50 CDAA Cc1c[nH]cc1C(=O)NC(C)(C)CN1CCOCC1 413965267 GWPPAHLRJPXUCW-UHFFFAOYSA-N 265.357 1.164 0 50 CDAA O=C(Nc1cnns1)N[C@H]1c2ccccc2C[C@H]1O 190781037 ZPGQNBZVTOHLME-KOLCDFICSA-N 276.321 1.318 0 50 CDAA C[C@]1(C(=O)O)CCCN1Cc1nnc(C2CC2)n1C1CC1 652480493 HJLNDJQGKSNSHY-OAHLLOKOSA-N 290.367 1.930 0 50 CDAA Cc1csc2c(Sc3nnnn3C)ncnc12 195330322 ZATRCQGGBOPQLL-UHFFFAOYSA-N 264.339 1.674 0 50 CDAA NC[C@@H](NS(=O)(=O)CCCF)C1CCCCC1 195544534 XIYLYUSFXRLTHX-LLVKDONJSA-N 266.382 1.173 0 50 CDAA NC(=O)C1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)CCCC1 567861451 MSKUOZPPMXWGCT-KGLIPLIRSA-N 286.375 1.952 0 50 CDAA Cc1cncc(-c2nc(Cn3nnc(C4CC4)n3)no2)c1 571612837 KEVJWUKZCZSFHP-UHFFFAOYSA-N 283.295 1.352 0 50 CDAA Cc1ccc([C@H](CNC(=O)c2ccnc(C)n2)C(=O)O)cc1 676021306 NUSMSNUDXMQRCK-ZDUSSCGKSA-N 299.330 1.692 0 50 CDAA CC[C@H]1CN(C)CCN1C(=O)Cc1cccc(COC)c1 585086065 IDLYBQHFYXYYGI-INIZCTEOSA-N 290.407 1.928 0 50 CDAA COC1(C)CN(c2ccc(-n3ccnc3C)nn2)C1 585092662 IRRWABVFRMPXEZ-UHFFFAOYSA-N 259.313 1.196 0 50 CDAA O=C1C[C@@H](CN2CCC[C@H](C(F)(F)F)C2)CN1 585094222 RYKWCKUWFKNANI-BDAKNGLRSA-N 250.264 1.397 0 50 CDAA CCCCCOCC(=O)NCc1nnc(O)n1C1CC1 585127421 ZXIDYUHTMQTCKC-UHFFFAOYSA-N 282.344 1.142 0 50 CDAA Cn1c(CNCC(F)(F)F)cnc1Br 585118092 AZKAYNGJCVJODD-UHFFFAOYSA-N 272.068 1.835 0 50 CDAA C[C@H]1CCCCN1C1CN(CCc2nccn2C)C1 1506408341 RQDRUWANHBIPRO-ZDUSSCGKSA-N 262.401 1.521 0 50 CDAA Cc1cc(N[C@H]2COC[C@H]2Cc2ccncc2)nc(N)n1 1529117893 CRFZOSIZOXHECL-OLZOCXBDSA-N 285.351 1.432 0 50 CDAA COC(=O)[C@@H]1CCc2nnc(CC(C)C)n2CC1 601044446 PWNHLVKXLMJDNH-SNVBAGLBSA-N 251.330 1.602 0 50 CDAA CCCNC(=O)COc1ccc(Cl)c2c1C(=O)OC2 408525116 LNNYBDYATGDAEI-UHFFFAOYSA-N 283.711 1.915 0 50 CDAA CCn1nc2n(c1=O)C(=O)N(c1cccc(Cl)c1)C2 1547201091 JTFIJSNCWBDEDG-UHFFFAOYSA-N 278.699 1.706 0 50 CDAA C[C@H]1CCCN(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)C1 110678603 HLGYXICJKRWNSS-QWHCGFSZSA-N 288.413 1.076 0 50 CDAA O=S(=O)(NCC[C@H]1CCNC1)c1ccccc1F 110796858 QKYXRKLSXWVABO-SNVBAGLBSA-N 272.345 1.104 0 50 CDAA O=C(N[C@H]1CNCC[C@H]1c1ccccc1)C(F)(F)F 616579442 TVKFVDQZXOYDBK-QWRGUYRKSA-N 272.270 1.811 0 50 CDAA C[C@H](CN[C@]1(CO)CCOC1)c1ccc(F)cc1 225480878 IDLKHXRAEOPYAM-RISCZKNCSA-N 253.317 1.670 0 50 CDAA Cn1cncc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 236068807 GOMVGDKUEHKSSZ-JTQLQIEISA-N 265.313 1.137 0 50 CDAA C[C@H]1CC2(CCNCC2)CN1C(=O)Cc1ccon1 335073954 SCGLUEHWLOXYGD-NSHDSACASA-N 263.341 1.208 0 50 CDAA O=C(O)c1cc(C(F)(F)F)nn1-c1cccnc1 1565505380 TZQKTODKRKEJRV-UHFFFAOYSA-N 257.171 1.984 0 50 CDAA CC(C)c1nccc(CN2CCOC[C@H](C(=O)O)C2)n1 1772816549 PKVVCYYKPWBRLY-LLVKDONJSA-N 279.340 1.133 0 50 CDAA CCOc1cccc(CC(=O)N[C@]23CCC[C@H]2NCC3)n1 1646843841 JENHYQSVJWPBOK-CJNGLKHVSA-N 289.379 1.424 0 50 CDAA Cc1c[nH]c(-c2nccn2-c2cccc3c2nnn3C)n1 1775982393 OVRFCHKBBYIBTB-UHFFFAOYSA-N 279.307 1.853 0 50 CDAA CC(C)c1ccnc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)n1 1772710184 OKYFPNJDJIVGDR-ABAIWWIYSA-N 291.351 1.528 0 50 CDAA CC(C)c1nc(CN2CCC([C@H](O)CO)CC2)co1 1772711870 KWXKMGNEOXYVMP-CYBMUJFWSA-N 268.357 1.363 0 50 CDAA COc1ccc(N/C=C2/SC(=O)NC2=O)cc1 5570164 QYMRCBDEPFRIOZ-RMKNXTFCSA-N 250.279 1.932 0 50 CDAA COc1cc2c(cc1CN1C[C@@H]3C[C@H]1C(=O)N3)CCC2 1857672217 CCICXXLXCGWOAP-KBPBESRZSA-N 272.348 1.257 0 50 CDAA Nc1cncc(N2CCC(CCn3cccn3)CC2)n1 1857677536 GVZQHKFAEVMRPI-UHFFFAOYSA-N 272.356 1.562 0 50 CDAA Cn1cccc(-c2nccn2[C@@H]2CCC[C@H](CO)C2)c1=O 1857739444 KEQAEKSEPFYKQT-QWHCGFSZSA-N 287.363 1.972 0 50 CDAA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)C1CC1 328631493 RBHVFWHFABWPSQ-UHFFFAOYSA-N 269.370 1.143 0 50 CDAA Cc1ccccc1[C@@H]1C(=O)NCCN1CCCC(=O)O 262414601 YPDVUXXSAQAMLL-CQSZACIVSA-N 276.336 1.333 0 50 CDAA COC(=O)c1nccnc1N1CC[C@@H](CN2CCCC2)C1 591915310 LUHLIWFZMRGYQL-LBPRGKRZSA-N 290.367 1.185 0 50 CDAA CC(C)(C)n1cc(CNc2cnc(CO)cn2)cn1 902219472 YZQWDEDWCXFKJJ-UHFFFAOYSA-N 261.329 1.533 0 50 CDAA O=c1ccc(-c2cccc3c2CCC3)cn1CCO 904805185 KDFQAESPPVVYOZ-UHFFFAOYSA-N 255.317 1.996 0 50 CDAA C[C@]1(O)CC2(CCN(C3CCCCC3)CC2)OC[C@@H]1O 1704307343 XILOLQCGHQMZPX-GJZGRUSLSA-N 283.412 1.686 0 50 CDAA Cc1oc(C2CC2)nc1C(=O)Nn1ccccc1=O 807198169 HLFWJWXARTZLMV-UHFFFAOYSA-N 259.265 1.406 0 50 CDAA O=C(COCC1CC1)N[C@H]1C[C@H]2C[C@H](C(=O)O)C[C@@H]12 907928824 GGCUYIVSQYSWPJ-KXNHARMFSA-N 267.325 1.029 0 50 CDAA Cn1nncc1CN1Cc2ncccc2N2CCC[C@H]2C1 934492846 FJLRDRFFEAYRKZ-LBPRGKRZSA-N 284.367 1.195 0 50 CDAA CCc1noc(COCC(=O)N2CCOC(C)(C)[C@H]2C)n1 934830766 DYLNSSOWSLFTAY-SNVBAGLBSA-N 297.355 1.175 0 50 CDAA CNC(=O)[C@@H](NC(=O)c1ccc(C(C)C)nc1O)C(C)C 934996631 OKQSZTRFVZUMHM-LBPRGKRZSA-N 293.367 1.411 0 50 CDAA Cc1cc2ccccc2n1CC(=O)NC1(C(=O)O)CC1 203652249 TZNZHVGISVXHSR-UHFFFAOYSA-N 272.304 1.683 0 50 CDAA O=C(NCC[C@H]1CCNC1)c1[nH]nc2ccccc12 110796009 KSUNMYGHWDJWEX-SNVBAGLBSA-N 258.325 1.292 0 50 CDAA O=C(O)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCO1 111288202 LDGRSTZNRUFNDD-LBPRGKRZSA-N 274.276 1.094 0 50 CDAA C[C@]1(C(=O)NCCCOC2CCCC2)CCCNC1 119091281 NODIXEXRCFSCGU-HNNXBMFYSA-N 268.401 1.842 0 50 CDAA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCCC[C@H]2CN)C1 252205530 XBZQNYARGDTSTM-UPJWGTAASA-N 289.445 1.022 0 50 CDAA C[C@H](N)[C@@H]1CCCCN1C(=O)CCc1ccncc1 129928907 HVSDINBTYOAQNW-JSGCOSHPSA-N 261.369 1.743 0 50 CDAA C[C@H]1[C@@H](C)OCCN1C(=O)c1cccc(C(=O)O)c1 237599906 JDZDHOKQIHUMQG-VHSXEESVSA-N 263.293 1.634 0 50 CDAA Cc1cc(F)ccc1C(=O)N1C[C@@H]2CC[C@H](N)[C@H]2C1 241157324 JWVBMWDVCFRWJD-BPNCWPANSA-N 262.328 1.943 0 50 CDAA COC[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O 262544113 SFXLLHZYKKXWPV-GXFFZTMASA-N 277.320 1.480 0 50 CDAA Cn1ccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 271672544 GUDLEEZPMGBORW-CHWSQXEVSA-N 270.398 1.471 0 50 CDAA O=C(O)[C@@H]1C[C@H](O)CCN1CCCc1ccccc1 247389077 KYCXHONMJYRTCT-KGLIPLIRSA-N 263.337 1.529 0 50 CDAA O=C(O)CN(Cc1ccsc1)C[C@@H]1CCCO1 63855434 JFDKATLGXRYYRT-NSHDSACASA-N 255.339 1.814 0 50 CDAA Cc1cnc(CN(C)C[C@H]2CCc3nccn3C2)o1 328630436 JJZFQHRODFGGLB-GFCCVEGCSA-N 260.341 1.874 0 50 CDAA CN(C(=O)CC[C@H]1CCCO1)[C@H]1C[C@@H](C(=O)O)C1 659228340 KFMTYMOHLGJVRM-OUAUKWLOSA-N 255.314 1.267 0 50 CDAA O=C(O)CN(C(=O)CC[C@H]1CCCO1)C1CCOCC1 362677423 YBONCLNBPZYKMC-GFCCVEGCSA-N 285.340 1.038 0 50 CDAA COC(=O)c1cncc(N2CCSCC[C@H]2C)n1 385264092 YKFHFTQQUCIRBS-SECBINFHSA-N 267.354 1.595 0 50 CDAA CCOC(=O)[C@H]1CCCn2c1nnc2C(F)(F)F 259865963 SKMIDBXMMYXEAW-LURJTMIESA-N 263.219 1.737 0 50 CDAA O=C(O)[C@@H]1CN(Cc2c(F)cccc2F)CC[C@@H]1O 606602856 FYBCXHKEFVEDOB-SKDRFNHKSA-N 271.263 1.232 0 50 CDAA CC[C@]1(C(C)C)C[C@@H]1C(=O)OCCN1C(=O)CCC1=O 2325751492 BNKPXYPAMFBTCZ-IAQYHMDHSA-N 281.352 1.751 0 50 CDAA O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCn2nncc2C1 2325789704 GYAARVMJXAUGMC-MRVPVSSYSA-N 290.352 1.208 0 50 CDAA CC(=O)c1cc(C)c2c(c1O)C[C@H](C)[C@](O)(C[C@@H](C)O)O2 2332918207 XNTLHERMDDIUAI-IEVXNVSRSA-N 294.347 1.934 0 50 CDAA CCc1ccc([C@@H](C)C(=O)N[C@H]2CCN(C(N)=O)C2)cc1 114365013 ZNJHBODTEKZYHM-RISCZKNCSA-N 289.379 1.622 0 50 CDAA CNC(=O)C(C)(C)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 248482070 INYCXPNRCBDPPO-QJPTWQEYSA-N 268.401 1.552 0 50 CDAA COc1ccc(CSc2nnnn2C)cc1F 48632 BWAKKQGXTDKHAR-UHFFFAOYSA-N 254.290 1.650 0 50 CDAA CN(C)S(=O)(=O)Nc1cccc(C(F)(F)F)c1 139342 QQAPASONKZVACU-UHFFFAOYSA-N 268.260 1.924 0 50 CDAA CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O 237703 OBDYUBVEBKAGNI-UHFFFAOYSA-N 261.233 1.677 0 50 CDAA aggregator C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)CCS1 405451 BRMCOLLUXAHJGQ-SECBINFHSA-N 272.395 1.395 0 50 CDAA Cn1cc(-c2cnc3c(N4CCCC4)nccn23)cn1 2356136147 IHFHCXPKVHMWAX-UHFFFAOYSA-N 268.324 1.730 0 50 CDAA COc1ccc(C(=O)N[C@@H]2CCC[C@@H](CO)C2)c(OC)n1 2356145671 RNVSDLOUXRTHJE-GHMZBOCLSA-N 294.351 1.380 0 50 CDAA CCCN1CCC[C@]2(CCCN2Cc2nnc(C)o2)C1=O 2356146979 CJOWHQWGEDLVMZ-HNNXBMFYSA-N 292.383 1.745 0 50 CDAA CC(C)(C)[C@]1(O)CC(=O)C(=O)NN1c1ccccc1 2924184 LMRWUHILWNZPSC-CQSZACIVSA-N 262.309 1.232 0 50 CDAA CCOc1ccccc1C(=O)N[C@@H](C(=O)O)C(C)C 3068341 NLRQXJDJAMCDTH-GFCCVEGCSA-N 265.309 1.924 0 50 CDAA Cn1cnc2c[nH]c(=NCCc3ccc(F)cc3)nc21 2356164215 JXQIYXBBCGAVRR-UHFFFAOYSA-N 271.299 1.579 0 50 CDAA CCCNS(=O)(=O)c1ccc(NC(=O)CC)cc1 6727129 BEQWJIIVJBMGDX-UHFFFAOYSA-N 270.354 1.723 0 50 CDAA C[C@H]1CC(=O)c2cn3nc(-c4ccncc4)nc3nc2C1 6756542 MARQNTJTMMGPCX-SECBINFHSA-N 279.303 1.951 0 50 CDAA COCCN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 8698509 KUBIWWTWZPYRIV-LLVKDONJSA-N 258.362 1.622 0 50 CDAA COc1cc(C(=O)N2CC[C@](C(=O)O)(C(C)C)C2)nn1C 314050335 TXBUXQHNHGOUAQ-CQSZACIVSA-N 295.339 1.002 0 50 CDAA Cc1ccc(S(=O)(=O)N2CCC(=O)CC2)c(C)c1 20223852 RUEGYRWQIIUKTN-UHFFFAOYSA-N 267.350 1.657 0 50 CDAA S=C(NCCc1ccccc1)NCCN1CCOCC1 20146203 RMQZHNCLVSUAMH-UHFFFAOYSA-N 293.436 1.025 0 50 CDAA Cn1nncc1C(=O)N1CC[C@@H]1Cc1ccccc1 328635503 CBKZENKBDOTPMT-GFCCVEGCSA-N 256.309 1.272 0 50 CDAA C[C@H](C(=O)Nc1cnc2n1CCCC2)N1CCCC1=O 67641336 GSRSILJVFGGMSI-SNVBAGLBSA-N 276.340 1.169 0 50 CDAA N=C(O)c1ncccc1C(=O)N1CC[C@@H](C2CC2)C1 336106445 MVGPFPSPYRQODA-SNVBAGLBSA-N 259.309 1.837 0 50 CDAA O=C(COc1cccnc1)N1CCC[C@@H](c2ccn[nH]2)C1 67743059 LTMQNQPMNYUTSF-GFCCVEGCSA-N 286.335 1.590 0 50 CDAA O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CCOCC1 22235402 DUBRDUFYRNNOON-UHFFFAOYSA-N 298.342 1.420 0 50 CDAA 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274.412 1.430 0 50 CDAA CCN1CCC[C@@H](N=c2cccc(-n3ccnc3)[nH]2)C1 364308806 VXTUEKWPTUFXCU-CYBMUJFWSA-N 271.368 1.585 0 50 CDAA Cc1csc2ncn([C@@H]3CCC(=O)N(C)C3)c(=O)c12 32561774 UMSSDCOEXOGRKU-SECBINFHSA-N 277.349 1.560 0 50 CDAA O=C1NC[C@@]2(CCCN(C(=O)c3cccc4cc[nH]c34)C2)O1 72167550 DCMNCQCCGAXYSQ-MRXNPFEDSA-N 299.330 1.883 0 50 CDAA CC[C@H]1COCCN1C(=O)COCc1ccccc1 77472248 XDZFLWIPUUBQOT-AWEZNQCLSA-N 263.337 1.841 0 50 CDAA CCc1oc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)cc1C 344498106 OJMYIYXZSOQELP-STQMWFEESA-N 294.395 1.942 0 50 CDAA CO[C@H]1C[C@@H](CN(C)Cc2nc3ccccc3[nH]2)N(C)C1 344463919 WQXLUTACGUIBSR-STQMWFEESA-N 288.395 1.714 0 50 CDAA C[C@H](NC(=O)c1ccc(Cl)cc1O)[C@@H](C)CO 160597682 RNDKUUFOJRCWRZ-YUMQZZPRSA-N 257.717 1.792 0 50 CDAA COc1cc(C(=O)O)cc(NC(=O)[C@H](C)OC)c1OC 262476991 KBOMIOKUEQLZQF-ZETCQYMHSA-N 283.280 1.375 0 50 CDAA O=C1NCCN1CCN1CC[C@@H](Oc2cccc(F)c2)C1 377604926 SDAQBEIUDUPFPP-CQSZACIVSA-N 293.342 1.304 0 50 CDAA Cc1cccc(O[C@H](C)C(=O)NC2CCN(C)CC2)c1 71754591 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Cc1nccc(C2CCN(C(=O)c3cncc(O)c3)CC2)n1 584902223 KVFGFDADYMOOMQ-UHFFFAOYSA-N 298.346 1.905 0 50 CDAA CCCNC(=O)N[C@@H](C)c1nc(-c2ccncc2)no1 822929218 VNYWUILRBJBSLN-VIFPVBQESA-N 275.312 1.902 0 50 CDAA CN(C)[C@@H](Cn1cnc2ncccc2c1=O)c1ccco1 584903418 BBAUIBWTAXVUOP-LBPRGKRZSA-N 284.319 1.687 0 50 CDAA CCC[C@@H](C(=O)N1CCCNC(=O)C1)n1cccc1 584889926 CIFHVDBXGCMQJA-LBPRGKRZSA-N 263.341 1.178 0 50 CDAA Cn1cc2ncn(CCn3ccc4ccccc43)c(=O)c2n1 584884499 RZASMLWRWRWWDX-UHFFFAOYSA-N 293.330 1.785 0 50 CDAA CCCCn1ncnc1[C@H](C)N1CCN(C)CC1 670452595 DJHYUMIGHKDYGH-LBPRGKRZSA-N 251.378 1.387 0 50 CDAA Cc1n[nH]cc1CN(C)C(=O)C[C@@H]1CN(C(C)C)CCO1 670449770 FBEBINDOQAZLSY-CQSZACIVSA-N 294.399 1.176 0 50 CDAA C[C@H]1CN(c2ccc3nccnc3n2)Cc2cncnc21 1458554281 BPSAMSOCOCRBJG-JTQLQIEISA-N 278.319 1.939 0 50 CDAA CS(=O)(=O)c1ccccc1OC[C@H]1C[N@]1C1CCC1 1875380978 GJCNHSHNEFAEOW-IUODEOHRSA-N 281.377 1.706 0 50 CDAA CCC(=O)N1CCCC[C@H]1C(=O)NCC/C=C/C(=O)OC 1875312209 XIBXRPYTVISELT-KFRNIWOLSA-N 296.367 1.013 0 50 CDAA CO[C@@H]1C[C@H](NC(=O)/C=C/CN2CCCC2)C12CCC2 1875338501 ZPENKUMVANXGLG-CNPQOGTOSA-N 278.396 1.712 0 50 CDAA Cc1csc(NC(=O)CSc2nnc(N)s2)n1 2865931 MVNXQJGKCIKAJY-UHFFFAOYSA-N 287.395 1.616 0 50 CDAA CCc1ncnc(N2CC(c3n[nH]c(C)n3)C2)c1F 895327918 IQKKLXSPIOFFQU-UHFFFAOYSA-N 262.292 1.208 0 50 CDAA COCc1nc(C)cc(N2CCO[C@H](C3(C)N=N3)C2)n1 1775989547 OYHATKIDIMBPCK-JTQLQIEISA-N 277.328 1.319 0 50 CDAA Cc1cnc(C(=O)N2C[C@H](N)C3(CCC3)C2)cc1C 1775962185 XYULEDCVWJWAQI-ZDUSSCGKSA-N 259.353 1.652 0 50 CDAA CC(C)C[C@@H](CC(=O)O)C(=O)N1CCOCC2(CC2)C1 899826985 HGMSDXYFXZPNEP-LBPRGKRZSA-N 283.368 1.762 0 50 CDAA COc1c(C(=O)N2CCC3(CCCN3C)CC2)cnn1C 1433863149 KSCQCTNHABJTNP-UHFFFAOYSA-N 292.383 1.129 0 50 CDAA CN(C)C[C@H]1CCN(C(=O)CCC2CCCC2)C[C@@H]1O 1565516400 MENRWFLDSVMQFB-CABCVRRESA-N 282.428 1.728 0 50 CDAA CN(C[C@H](O)C(C)(C)O)[C@@H](CO)c1ccc(Cl)cc1 1434474484 NPLXVGOZTBLNDR-STQMWFEESA-N 287.787 1.437 0 50 CDAA CCCCS(=O)(=O)NC[C@@H]1CCc2nccn2C1 275241545 FMVQKNXORKPSMD-NSHDSACASA-N 271.386 1.165 0 50 CDAA CC1=C(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)CCCO1 275445439 WCGWTDYXTGPINA-STQMWFEESA-N 291.351 1.451 0 50 CDAA Cc1ccccc1[C@@H](NS(=O)(=O)C1COC1)C1CC1 277119095 WPWNDUDSFVPSKD-AWEZNQCLSA-N 281.377 1.764 0 50 CDAA CN1C[C@@H](NC(=O)c2ccnnc2)CC[C@@H]1C(F)(F)F 583620087 VFQMEYOMIIZLRT-VHSXEESVSA-N 288.273 1.232 0 50 CDAA CO[C@@H]1CN[C@H](C(=O)N2CCC(OC3CCCC3)CC2)C1 583617580 CLRUSHYRORUAIA-GJZGRUSLSA-N 296.411 1.314 0 50 CDAA C[C@@H](C(=O)Nc1cc(CC(C)(C)C)nn1C)n1cncn1 170975071 DBTKHBYCZVAWNL-JTQLQIEISA-N 290.371 1.800 0 50 CDAA OC[C@H](CNc1ccncc1Cl)[C@@H]1CCOC1 281108774 XHJJFGSIKFTIHH-ZJUUUORDSA-N 256.733 1.792 0 50 CDAA COC[C@H]1[C@H](NC(=O)Cc2cccs2)[C@H]2CCO[C@H]21 1074572973 WFNNJUISDDUSOB-ZMJPVWNMSA-N 281.377 1.457 0 50 CDAA C=CC(=O)NCCC(=O)N1CCCC[C@@H]1c1ccnn1C 282093560 NVNFGBSDQKFLRB-CYBMUJFWSA-N 290.367 1.166 0 50 CDAA Cc1cc(C(=O)N2CCN(C3CC3)C[C@@H]2C)ns1 585130650 XNZWBJBHLOBKTG-VIFPVBQESA-N 265.382 1.760 0 50 CDAA CCOc1cccc(S(=O)(=O)N2CC[C@H]([C@@H](C)O)C2)c1 282332349 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299.802 1.406 0 50 CDAA COc1cccc(SCC(=O)NCCn2ccnn2)c1 534667886 UNMFSEGMGQEXQZ-UHFFFAOYSA-N 292.364 1.195 0 50 CDAA CC(=O)N[C@@H]1CCN(C(=O)NCCCc2ccco2)C1 534670829 SATVSSUCAYDAEJ-GFCCVEGCSA-N 279.340 1.132 0 50 CDAA COc1ccc(OCCCN)c(C(=O)NC2(C)CC2)c1 299774225 AHDPXRBCWWORBU-UHFFFAOYSA-N 278.352 1.705 0 50 CDAA COC(=O)c1cccc(NC(=O)NCC[C@H]2CCCN2)c1 299756325 GSUPUGUDGTZAPR-GFCCVEGCSA-N 291.351 1.737 0 50 CDAA CCn1nc(CO)c2c1CCN(C[C@H]1CCCOC1)C2 299768870 ZPKNYUHZNIKKPZ-GFCCVEGCSA-N 279.384 1.180 0 50 CDAA CN(C)S(=O)(=O)NCCC1=CC[C@H]2C[C@@H]1C2(C)C 823725415 JVTLVEWFNZSVHT-RYUDHWBXSA-N 272.414 1.765 0 50 CDAA NC(=O)c1cn(Cc2c(F)cccc2Cl)nn1 149907749 YGJSCFVQYUIZMC-UHFFFAOYSA-N 254.652 1.218 0 50 CDAA CCCN1CCCN(C(=O)COC[C@H]2CCCCO2)CC1 584889462 ZWEOCGPEPDGIOH-OAHLLOKOSA-N 298.427 1.516 0 50 CDAA O=C(c1cccc(O)n1)N1CC[C@](O)(c2ccccc2)C1 584886778 YXFQNNSIBSGGGA-MRXNPFEDSA-N 284.315 1.521 0 50 CDAA CC[C@H](C)NC(=O)NCCN=c1cc[nH]cc1C 822635465 NMLIXYLNULKAKB-NSHDSACASA-N 250.346 1.322 0 50 CDAA 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CO[C@@H]1COC[C@@H]1NC(=O)c1coc2c(C)cccc12 581007431 OKTRUIIRYFXQFI-QWHCGFSZSA-N 275.304 1.885 0 50 CDAA O[C@H](CNC[C@@H]1CCC(F)(F)C1)CC1(O)CCOCC1 634713703 ZYKQIQLUAVIUOC-NEPJUHHUSA-N 293.354 1.304 0 50 CDAA C[C@H]1OCCC[C@H]1C(=O)N(C)CCN1CCOC(C)(C)C1 408473735 MCJZTXAGEHMWSZ-ZIAGYGMSSA-N 298.427 1.371 0 50 CDAA CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](C(=O)O)C1 222640034 UZQRWDJCVXWZDS-SDDRHHMPSA-N 270.373 1.476 0 50 CDAA Cc1nn(C)c(C)c1CNc1ccc2c(c1)nnn2C 585089132 AELLPUGCPWOQHT-UHFFFAOYSA-N 270.340 1.931 0 50 CDAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1nccn2cnnc12 225434139 XOBOMOCSZNLBLE-CMPLNLGQSA-N 299.338 1.048 0 50 CDAA CC(C)c1nsc(N2CCC[C@H](c3n[nH]c(=O)o3)C2)n1 225812395 ITCSCDQEZBJKMP-QMMMGPOBSA-N 295.368 1.722 0 50 CDAA Cc1cnc(CN2CCNC(=O)[C@@H]2CC(C)C)s1 189843178 OZWZJVZDHJGNJD-NSHDSACASA-N 267.398 1.798 0 50 CDAA CC1(C)CN(C(=O)c2cn(CCCN)nn2)c2ccccc21 643508142 NTYHMGSURCFMHZ-UHFFFAOYSA-N 299.378 1.565 0 50 CDAA O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CNCCOC1 643629427 IGMNLXUPOPKLKA-JTQLQIEISA-N 286.734 1.331 0 50 CDAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnc(C)[nH]2)C1 644119223 LSCVOWRAYLVOBJ-KOLCDFICSA-N 275.312 1.043 0 50 CDAA CC(C)[C@H](NC1CCOCC1)C(=O)Nc1ccc(F)cn1 192683624 SCYRKBZFJJXNIQ-AWEZNQCLSA-N 295.358 1.952 0 50 CDAA CC(C)CO[C@H](C)c1noc(Cn2ncccc2=O)n1 195422156 GGKAYBGTVXRTEX-SNVBAGLBSA-N 278.312 1.408 0 50 CDAA O=C(Nc1cc2cc[nH]c2cn1)[C@H]1CCc2nncn2C1 655179763 STUGXLQPBHSMOR-JTQLQIEISA-N 282.307 1.356 0 50 CDAA Cc1nccnc1C(=O)N(CCc1ccccc1)CC(=O)O 663020463 YWGBSOMNUWQRCO-UHFFFAOYSA-N 299.330 1.555 0 50 CDAA C[C@H]1C[C@@H](C)CN(C[C@H](C)NS(=O)(=O)CCCF)C1 110682476 OBEDVIDFJCQIIR-XQQFMLRXSA-N 294.436 1.632 0 50 CDAA Cn1cccc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1 1615735826 ZUNWOESTMGDMTC-KGLIPLIRSA-N 285.347 1.408 0 50 CDAA CN(CC(=O)O)C(=O)[C@H]1C[C@H]1c1ccccc1Cl 237155674 WZIPXEVTESPYNK-UWVGGRQHSA-N 267.712 1.987 0 50 CDAA Cc1ccc(O)c(C(=O)N2CC[S@@](=O)CC[C@H]2C)c1 334482855 YCKLMJGZLHAUKV-WYRIXSBYSA-N 281.377 1.684 0 50 CDAA Cc1nn(CCO)cc1CN(C)[C@H](CO)CC(C)C 1615549998 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296.392 1.106 0 50 CDAA CN1CCCC[C@@H](C(=O)NCc2nccs2)C1=O 585122392 ZGPLPSJLYZRXKW-VIFPVBQESA-N 267.354 1.018 0 50 CDAA CC1(C)CC(=O)N[C@H]1CN(CCCO)Cc1ccccc1 1875273889 BTHHXOZERIUQKO-HNNXBMFYSA-N 290.407 1.786 0 50 CDAA C[C@H]1C[C@H]1C(=O)Nc1nc(-c2cnn(C)c2)ns1 900804041 YCUFGWPHMOKBQU-POYBYMJQSA-N 263.326 1.533 0 50 CDAA Cc1cc(C(=O)OCCN2CCNC2=O)c2n[nH]cc2c1 808543690 MAZNJJQKBYBKIF-UHFFFAOYSA-N 288.307 1.053 0 50 CDAA Cn1ccc(C(=O)N[C@@H]2CCOC3(CC(C(=O)O)C3)C2)c1 910616171 QXWPQIJCAFFJKZ-MQYJIDSJSA-N 292.335 1.167 0 50 CDAA C=CC(=O)NCCNC(=O)c1ccc2c(c1)C[C@H](C)O2 826952912 WUSDOQUUYIGWDY-JTQLQIEISA-N 274.320 1.042 0 50 CDAA Cn1ncc(Cl)c1C(=O)NC[C@@H]1CCNCC1(F)F 852881923 SVTGVBCJSKJXNE-ZETCQYMHSA-N 292.717 1.048 0 50 CDAA O=C(c1cncc2[nH]ccc12)N1CCc2nc[nH]c2C1 929078276 QJGGXAMUBUNUON-UHFFFAOYSA-N 267.292 1.485 0 50 CDAA COc1nccc(C(=O)N2CC[C@@H](C3CCOCC3)C2)n1 935077410 JXAOEZNOHAJTFR-GFCCVEGCSA-N 291.351 1.374 0 50 CDAA CCN(CCN(C)C)Cc1ccc2c(c1)OCCO2 22044952 SDULIGNNNKUYSV-UHFFFAOYSA-N 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1.247 0 50 CDAA Cc1nc2n(n1)C[C@@H](NC(=O)Nc1nccs1)CC2 170720256 WXAMRKUZRUIMHB-QMMMGPOBSA-N 278.341 1.180 0 50 CDAA O=C(Nc1cccc2nc(O)[nH]c12)[C@@H]1CCCOC1 408517339 HMZZOVBIBYEKDC-MRVPVSSYSA-N 261.281 1.634 0 50 CDAA O=C(NS(=O)(=O)c1ccsc1)[C@@H]1CC[C@@H]2C[C@H]2C1 408503218 SBBWTIZCYMOGSF-BBBLOLIVSA-N 285.390 1.989 0 50 CDAA CCCC[C@H](C)C(=O)N1CC(CN2CCN(C)CC2)C1 408517297 FZLCOBSZSRBDNE-AWEZNQCLSA-N 281.444 1.519 0 50 CDAA COC1CCC(Nc2ncnc3[nH]c(=N)ccc23)CC1 413421916 SBPLTMUDGSKIHQ-UHFFFAOYSA-N 273.340 1.807 0 50 CDAA Cc1ccc(N2CCCN(CC[C@@H]3CCCO3)CC2)nn1 189134379 LCOLHPCLZAAKHF-HNNXBMFYSA-N 290.411 1.866 0 50 CDAA CCc1nn(C)c(OC)c1CNC(=O)[C@@H]1CCCO[C@@H]1C 189964840 BMFUKCWMABPWKT-GHMZBOCLSA-N 295.383 1.422 0 50 CDAA Cc1cc(=O)c(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)co1 190068335 WRVMDCDUGNWNHE-GHMZBOCLSA-N 279.336 1.832 0 50 CDAA CC(=O)NC1CN(C(=O)c2cc3ccccc3nc2C)C1 190472731 AJPJGDMZUJYQOG-UHFFFAOYSA-N 283.331 1.504 0 50 CDAA C[C@@H]1CSCCN(C(=O)NCC(=O)NC(C)(C)C)C1 192282536 AMELVPKMOMBWDJ-JTQLQIEISA-N 287.429 1.296 0 50 CDAA C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)Cc2ccccc2O1 646387896 NTCDOOUUOZUJIC-LLVKDONJSA-N 299.330 1.204 0 50 CDAA CCO[C@H]1C[C@@H](N(C)Cc2nnn(C)n2)C12CCCCC2 192985752 ULVLLCGIXCFXTP-OLZOCXBDSA-N 293.415 1.770 0 50 CDAA O=C(CN1CCCCC1=O)NCc1cccc(O)c1 194655047 NQGNARYHJLBBEJ-UHFFFAOYSA-N 262.309 1.021 0 50 CDAA CC(=O)Nc1cnn(CCN(C)c2ccccc2)c1 655679045 WKKCUQPBJOJCHY-UHFFFAOYSA-N 258.325 1.978 0 50 CDAA O=C(Nc1cccc(Cn2cccn2)c1)N[C@@H]1CCCNC1 666764362 BTFVDZLQMCPOGK-OAHLLOKOSA-N 299.378 1.805 0 50 CDAA CC(C)Oc1ccc(C(=O)N(C)CCC(=O)O)cn1 676017262 LDHDSEQODAOZQZ-UHFFFAOYSA-N 266.297 1.416 0 50 CDAA C[C@H](OCC1CC1)C(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 583621463 OWDAWZWMZDFTLY-AAEUAGOBSA-N 292.383 1.040 0 50 CDAA CC[C@@H]1CCCC[C@H]1CN1CCC2(CC1)NC(=O)NC2=O 583650795 BIAFTEHYGYSCCT-OLZOCXBDSA-N 293.411 1.877 0 50 CDAA CCC(CC)(CO)CN(C)c1ncc(F)c(NC)n1 1529152199 PXODCHMLPQVMJL-UHFFFAOYSA-N 270.352 1.892 0 50 CDAA Cc1nnc([C@@H](C)N2CCN(CC(C)(C)O)[C@@H](C)C2)s1 407982874 KURINBWUXPNMRU-WDEREUQCSA-N 298.456 1.685 0 50 CDAA CO[C@@H]1CCC[C@@]12CCCN(CC(=O)N1CCOCC1)C2 1704344563 TWOOBPUQICFRCL-ZBFHGGJFSA-N 296.411 1.126 0 50 CDAA CC(=O)c1cnc(N[C@@H]2CCCCNC2=O)nc1C 1704312868 DCJUCLSAKKPVKV-LLVKDONJSA-N 262.313 1.068 0 50 CDAA Cc1cc(S(C)(=O)=O)ncc1Br 116232476 QRUHXFFHUQCWGD-UHFFFAOYSA-N 250.117 1.556 0 50 CDAA in-vitro CCc1cnc(C)nc1NC[C@@H]1CN(C(C)=O)CCO1 1704306865 YVDHMPJOONIKIQ-CYBMUJFWSA-N 278.356 1.007 0 50 CDAA CC(C)=CCN1CCC2(CC1)C[C@@](O)(CO)CCO2 1704358323 IKCQRLIOFXKTLY-CQSZACIVSA-N 269.385 1.321 0 50 CDAA O=C(Nc1cnns1)N1C[C@H]2C[C@H](O)CC[C@H]2C1 333328651 CFRRKAWYNCOIKM-DJLDLDEBSA-N 268.342 1.163 0 50 CDAA CC(C)(C)OC(=O)N1CC[C@](O)(C2(C(=O)O)CCC2)C1 757120780 IHTIALCWMNBAMV-CQSZACIVSA-N 285.340 1.613 0 50 CDAA CN1CCN(C[C@@]2(Cc3ccccc3)CCOC2)CC1 1615614218 OELFJYFBXZPIOM-KRWDZBQOSA-N 274.408 1.883 0 50 CDAA CSCC[C@H](C)NS(=O)(=O)c1ccc(C=O)cc1 1616035037 ZLRJQOXKXDJMBM-JTQLQIEISA-N 287.406 1.919 0 50 CDAA O=C1NC(=O)[C@]2(CCOc3ccc(Cl)cc32)N1 26481517 YLDDSILEQGVNSB-LLVKDONJSA-N 252.657 1.157 0 50 CDAA CN(CC(=O)N1C[C@@H]2C[C@@]2(C)C1)Cc1ccncc1 1772819399 TUKRLIPOKOILEP-ZFWWWQNUSA-N 259.353 1.382 0 50 CDAA C[C@@]12C[C@@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 1775978857 PVYSGWCTBKJJDO-YPMHNXCESA-N 269.341 1.997 0 50 CDAA O=C(NCCCn1ccnc1)c1cccnc1Cl 5942025 MKIFFBQALFZHNT-UHFFFAOYSA-N 264.716 1.752 0 50 CDAA Cc1ccc(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 5120013 QYFLTWYPVSSONI-GHMZBOCLSA-N 299.442 1.999 0 50 CDAA COC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O 5547240 MLXZZQOKSOVMSF-UHFFFAOYSA-N 264.233 1.228 0 50 CDAA biogenic CCN(C#N)c1nc(N(C)C)nc(N(CC)CC)n1 16576830 JILUDRHMNYBUHV-UHFFFAOYSA-N 263.349 1.091 0 50 CDAA CC12CN3CC(C)(CN(C1)C3c1cccc(N)c1)C2O 19330009 KVTOSJNCPZJIMV-UHFFFAOYSA-N 273.380 1.286 0 50 CDAA biogenic O=C(NC(=S)NC[C@@H]1CCCO1)c1ccccc1F 472561 SPSDGCRZRPQEEF-VIFPVBQESA-N 282.340 1.609 0 50 CDAA CCOC(=O)[C@@H]1CN(C(=O)c2ccccc2)CC[C@@H]1O 1706770 MAOBVTCJGRMVIW-OLZOCXBDSA-N 277.320 1.073 0 50 CDAA O=C(O)CCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 5049941 YITFFBXTAQHYDR-UHFFFAOYSA-N 271.656 1.842 0 50 CDAA COC(=O)[C@H]1CC12CCN(c1ncnc3n[nH]cc13)CC2 356328521 QRWYYYKGEUUXDV-SNVBAGLBSA-N 287.323 1.132 0 50 CDAA Oc1nc(N2CCC[C@@H](c3nc[nH]n3)C2)nc2ccccc12 370843423 OTRJODMBVUHYOH-SNVBAGLBSA-N 296.334 1.838 0 50 CDAA Nc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccoc3)C1)CC2 1704330657 ZRCSRFGBRUJONW-MRXNPFEDSA-N 298.346 1.772 0 50 CDAA C[C@H](NC(=O)[C@H]1CCCc2c(O)cccc21)C(=O)O 909132794 YBXNYSXSUDYGNR-KWQFWETISA-N 263.293 1.401 0 50 CDAA C=CC(=O)NCCC(=O)N1CCOC(C2CC2)(C2CC2)C1 856080420 ZZVJNVBMAIBHPD-UHFFFAOYSA-N 292.379 1.096 0 50 CDAA O=C(c1ccccc1O)N1CCN2CCCC[C@H]2C1 110312300 GQTZKQKQGMEEAE-LBPRGKRZSA-N 260.337 1.703 0 50 CDAA Cc1ccc(OCC(=O)NC2(C(=O)O)CC2)c(C)c1 203648306 CAGHYMYNWGEDFM-UHFFFAOYSA-N 263.293 1.416 0 50 CDAA Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCCCC1 4858143 RENPTHHUVSURCH-UHFFFAOYSA-N 296.392 1.705 0 50 CDAA CC1(N)CCN(S(=O)(=O)CCCC(F)(F)F)CC1 252485086 GNJFXIIYHRLMHV-UHFFFAOYSA-N 288.335 1.472 0 50 CDAA CCn1cc(CN(C)[C@H]2Cc3ccccc3[C@H]2O)cn1 241774132 RNHQKNQMJUQKCG-JKSUJKDBSA-N 271.364 1.993 0 50 CDAA Cc1nc(NC(=O)COCc2ccccc2)n(C)n1 183668960 AVIHRWVQZJEDGW-UHFFFAOYSA-N 260.297 1.279 0 50 CDAA CN(C[C@H]1COc2ccccc2O1)C(=O)c1ncc[nH]1 665307575 KKSGBZSXDPTRPK-JTQLQIEISA-N 273.292 1.322 0 50 CDAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2c(c1)COC2 334749536 FOQOFRIYVAAMHG-TVQRCGJNSA-N 274.320 1.114 0 50 CDAA C1CCC(N2CCCN(C[C@H]3CCOC3)CC2)C1 336555942 NFFCVTRBWWZRMA-CQSZACIVSA-N 252.402 1.973 0 50 CDAA O=C(O)[C@H]1CC12CCN(S(=O)(=O)c1ccco1)CC2 575349071 WZAFRVJLIYRTEO-SECBINFHSA-N 285.321 1.155 0 50 CDAA CCOC(=O)c1c(NC(C)=O)sc(C(N)=O)c1C 433740 RKIYVTJCWCNFEL-UHFFFAOYSA-N 270.310 1.291 0 50 CDAA C[C@@H]1CN(C2CC2)CCN1Cc1ccc(-c2nn[nH]n2)cc1 2100539622 QMYUSBXYXHCPGN-GFCCVEGCSA-N 298.394 1.535 0 50 CDAA CCOC(=O)c1sc(-n2nc(C)cc2O)nc1C 100145516 QKMSEEGWOGYOES-UHFFFAOYSA-N 267.310 1.828 0 50 CDAA C[C@H](CN1CC[C@@](O)(c2cc[nH]n2)C1)CC(F)(F)F 2325772104 ZDANBXNUAHKNKZ-ONGXEEELSA-N 277.290 1.892 0 50 CDAA C=CC(=O)N1CCC(C(=O)Nc2cnn(CC)c2)CC1 2325884435 JRJGWPWDNWHRIO-UHFFFAOYSA-N 276.340 1.266 0 50 CDAA O=C(OCCN1CCCCC1)c1ccc(O)cc1O 209316 WEMSXFSZUVZWKG-UHFFFAOYSA-N 265.309 1.741 0 50 CDAA CCOC(=O)CN(C)c1cc(NC(C)=O)ccc1OC 401842 UGZGUAMHHQBHAW-UHFFFAOYSA-N 280.324 1.653 0 50 CDAA Cc1cc[n+](CCON2C(=O)c3ccccc3C2=O)cc1 406269 YDVOJXQOHALCAF-UHFFFAOYSA-N 283.307 1.510 0 50 CDAA Cc1cc(OCC(=O)Nn2cnnc2)ccc1Cl 455434 IENGWCGRJVGDAD-UHFFFAOYSA-N 266.688 1.389 0 50 CDAA CCS(=O)(=O)Nc1ccccc1NS(=O)(=O)CC 474234 FIHLEYBUXBZEBD-UHFFFAOYSA-N 292.382 1.210 0 50 CDAA CO[C@H]1CC[C@H](NC(=O)c2n[nH]c3c2COCC3)CC1 2356139815 ZHEBCWJEHXTDMV-MGCOHNPYSA-N 279.340 1.170 0 50 CDAA CC[C@H](C(=O)Nc1cnc2ccccn2c1=O)n1cccn1 2356151115 SHFACJZXTHJUAZ-GFCCVEGCSA-N 297.318 1.481 0 50 CDAA C[C@H](O)CNCCOCCOc1ccc2c(c1)CCC2 2879921 RIKBNNLIWJTPSS-ZDUSSCGKSA-N 279.380 1.541 0 50 CDAA O=C1OC[C@H]2CN(c3nnc(-c4ccccc4)s3)C[C@@H]12 2356165309 BWEZJGWOPCMJMB-GHMZBOCLSA-N 287.344 1.814 0 50 CDAA CN(C)S(=O)(=O)c1csc(C(=O)NC(C)(C)C)c1 6680263 QDLXKBYZNZHNNL-UHFFFAOYSA-N 290.410 1.527 0 50 CDAA CC(C)CCS(=O)(=O)c1ccccc1C(N)=O 6703868 ITSGTEQERBBANY-UHFFFAOYSA-N 255.339 1.605 0 50 CDAA Cn1ccnc1SCc1nc2ccccc2c(=O)[nH]1 8560152 JDPYGJCHYJBUQX-UHFFFAOYSA-N 272.333 1.949 0 50 CDAA COC(=O)[C@]1(SC)[C@H]2C=C[C@H]1CC21OCCO1 104300479 RDWWCTBKBTXRLI-HOTUBEGUSA-N 256.323 1.210 0 50 CDAA Cc1ccc(CC(=O)N2CCC[C@H](C)[C@@H]2CN)cn1 429139018 WWWKSUIDENSBJO-FZMZJTMJSA-N 261.369 1.518 0 50 CDAA C=CC(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 863971361 QKXHZIYEPCSUCY-UHFFFAOYSA-N 257.293 1.512 0 50 CDAA Cn1cc(-c2nc(CC(=O)Nc3ccccc3)no2)nn1 345451672 GOCSKWCWPJOJRO-UHFFFAOYSA-N 284.279 1.046 0 50 CDAA Cc1cnc(NC[C@H]2CCN(C)C2)nc1-c1cnn(C)c1 63846171 WKTNNEYCELQAQU-GFCCVEGCSA-N 286.383 1.549 0 50 CDAA CN(CCc1ccccc1)c1cc(CCN)ncn1 67855251 ARYREXDNNWXXLM-UHFFFAOYSA-N 256.353 1.657 0 50 CDAA Cc1cc(C)n(-c2cccc(CN(C)C(CO)CO)c2)n1 65394423 NNDFNFTWDWVLIG-UHFFFAOYSA-N 289.379 1.274 0 50 CDAA Cc1cc(C)n(CC(=O)NC[C@@H]2CCCN(C(C)C)C2)n1 63694596 OTGSOTUQPHBTMR-HNNXBMFYSA-N 292.427 1.737 0 50 CDAA NC[C@H]1CN(c2nc3cc(Cl)ccc3o2)CCO1 22637904 XWNXQWYCGICPDT-VIFPVBQESA-N 267.716 1.645 0 50 CDAA CC(C)[C@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)C(N)=O 135490022 DVADZEOULDWOGP-NEPJUHHUSA-N 297.399 1.287 0 50 CDAA COc1ccnc(N2CCC[C@H]3CN(C)CC[C@H]32)n1 230179373 YBGRACOVWSIJLV-NWDGAFQWSA-N 262.357 1.406 0 50 CDAA CCn1cc(CN(Cc2cccnc2)C[C@H]2CCNC2)cn1 328652346 WJRWTYMFMYGHAG-INIZCTEOSA-N 299.422 1.910 0 50 CDAA CC(C)c1nccc(N2CCO[C@H](c3nncn3C)C2)n1 328634237 TVRULJQFNKPREU-NSHDSACASA-N 288.355 1.306 0 50 CDAA CC(=O)NCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 67446656 IRRLISILODCLAA-CYBMUJFWSA-N 296.754 1.376 0 50 CDAA Cc1nccc(CCC(=O)N2CCOCC23CC3)n1 329206022 XZDSWSNKRCIHTH-UHFFFAOYSA-N 261.325 1.109 0 50 CDAA Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCc1ccccc1F 67955068 YUCGWTJNBKCJTG-AWEZNQCLSA-N 290.342 1.524 0 50 CDAA CO[C@H]1C[C@@H](C(=O)N=c2cc(C3CCCC3)[nH][nH]2)N(C)C1 331431709 UBWYEHJQCCIZHU-AAEUAGOBSA-N 292.383 1.147 0 50 CDAA COCCNC(=O)[C@H](C)Oc1cccc(C)c1C 30865409 OYWMQBSOKMSIPL-LBPRGKRZSA-N 251.326 1.833 0 50 CDAA CC(C)(C)c1n[nH]c(=NC(=O)N[C@H]2CCCCNC2)s1 333087105 AEBSKERMHNPRKW-VIFPVBQESA-N 297.428 1.521 0 50 CDAA Cc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)c(C)c1C 35993519 ZMGDGIYJKXDTHG-UHFFFAOYSA-N 296.436 1.856 0 50 CDAA COCCNCC(=O)N1C[C@H](C)Oc2cc(C)ccc21 237154646 OSIQFEXXYPUUKM-LBPRGKRZSA-N 278.352 1.345 0 50 CDAA CCN1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H](C)CSC 241316714 LUHUULSRFSAWEP-JHJVBQTASA-N 286.441 1.307 0 50 CDAA CCc1cc(NC[C@@H](O)c2cccnc2)n2nccc2n1 72433929 DVGAKZGUJDIAES-CYBMUJFWSA-N 283.335 1.832 0 50 CDAA COC(=O)CCN(C)[C@H](C)C(=O)NCc1ccccc1C 252508514 XOLINZKHCRZHBW-CYBMUJFWSA-N 292.379 1.495 0 50 CDAA O=C(O)C[C@]12CC3CC(C(=O)O)(C1)C[C@@](CC(=O)O)(C3)C2 74934386 NYOPXQUPXOFJMI-TYTDEWRESA-N 296.319 1.977 0 50 CDAA Cc1ccc2c(C)cc(N3CCC[C@@](O)(C(N)=O)C3)nc2c1 284523997 FPYMRNZFXNYOAP-KRWDZBQOSA-N 299.374 1.668 0 50 CDAA N[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 72476028 KLFNPQZNNOUWRX-DTWKUNHWSA-N 275.308 1.083 0 50 CDAA O=C(c1cc2occc2[nH]1)N1CCO[C@]2(CCCOC2)C1 606443448 QHDUIURHTBTWKD-OAHLLOKOSA-N 290.319 1.783 0 50 CDAA CN1CC[C@@H](N(C)Cc2cc3ccccc3n(C)c2=O)C1 219851634 NUDHSDPGOYZOIO-OAHLLOKOSA-N 285.391 1.674 0 50 CDAA COCC(=O)N[C@H]1CC[C@H]1NC1Cc2ccccc2C1 72463498 KAJCRIXRWDCIEH-CABCVRRESA-N 274.364 1.037 0 50 CDAA Cn1cc(CN2CC(=O)N(Cc3ccccc3)C2)cn1 343868254 BQSTVURRTAXAEQ-UHFFFAOYSA-N 270.336 1.222 0 50 CDAA C[C@@H]1CCCC[C@H]1OCCN1CCO[C@H](CN(C)C)C1 155320758 GNZGUMMPJIJLEQ-BZUAXINKSA-N 284.444 1.844 0 50 CDAA CC(=O)N1CCc2cc(C(=O)N[C@H](C)c3nc[nH]n3)ccc21 174561342 JESMNAGOZHRHFN-SECBINFHSA-N 299.334 1.205 0 50 CDAA COc1ccc(C(=O)NCC[C@@H]2CCOC2)c(OC)n1 218988995 HGQYUCFFQJUZNR-SNVBAGLBSA-N 280.324 1.255 0 50 CDAA COc1cccc2c1ccn2CCC(=O)N[C@H](C)C(=O)O 71754952 BKVRITMJSPIZOK-SNVBAGLBSA-N 290.319 1.629 0 50 CDAA Cc1cc(=O)cc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)o1 215969776 JFYAAVOPDVSEEJ-UHFFFAOYSA-N 299.286 1.048 0 50 CDAA c1ccc(CN(Cc2cc[nH]n2)[C@H]2CCCNCC2)nc1 262013513 KHXCROHWAWZQDA-INIZCTEOSA-N 285.395 1.949 0 50 CDAA Cc1cccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)c1 216393333 OOAULRYKEYDAHR-UHFFFAOYSA-N 294.318 1.500 0 50 CDAA CCOCc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)O)cc1 262485470 BDFRBDICEYFCKG-QWHCGFSZSA-N 277.320 1.560 0 50 CDAA Cc1nc(CCNC(=O)c2cnccn2)nc2c1CCCC2 219787558 WXDDBZUWFDRLIU-UHFFFAOYSA-N 297.362 1.426 0 50 CDAA Cc1nc2ncnn2c2ccn(Cc3ccccn3)c(=O)c12 72115786 CNBBQKKWZRQRKO-UHFFFAOYSA-N 292.302 1.191 0 50 CDAA CNS(=O)(=O)CCNc1nccc(C2CCCC2)n1 71764296 GKKPOJSEMVLLLT-UHFFFAOYSA-N 284.385 1.095 0 50 CDAA C[C@@H]1C(=O)N(CC(=O)N(C2CC2)[C@@H](C)C2CC2)C(=O)[C@@H]1C 175062206 NWMIEQFGZAHUMM-AXFHLTTASA-N 292.379 1.417 0 50 CDAA CC[C@@H](C(=O)N(C)Cc1ccn[nH]1)N1CCCC1 221171577 QJCMOCOSJQYORY-LBPRGKRZSA-N 250.346 1.243 0 50 CDAA CCc1nnc(CNC(=O)[C@H]2Cc3ccccc3O2)s1 220540994 KEPKBNIKQZHYJQ-LLVKDONJSA-N 289.360 1.720 0 50 CDAA C[C@H](C(=O)NCc1cc2ccc(F)cc2nc1O)N(C)C 426529170 AOHWJFSCZQYAMJ-SECBINFHSA-N 291.326 1.646 0 50 CDAA Cc1c[nH]c(CNC(=O)c2n[nH]c3c2CCC3)c(C)c1=O 426410426 FKFNRAKRQJYMAN-UHFFFAOYSA-N 286.335 1.134 0 50 CDAA CNC(=O)[C@@H](NC(=O)N1CCOC[C@@H]1CC(C)C)C(C)C 178437103 ILUZDKRNIOWIND-STQMWFEESA-N 299.415 1.214 0 50 CDAA c1cncc(CCCN=c2cc([C@@H]3CCOC3)nc[nH]2)c1 426477658 XUWWSBBXLGSBHM-CQSZACIVSA-N 284.363 1.842 0 50 CDAA CNCc1nnc(SCc2nc(C3CC3)no2)n1C 426405735 OWWLQWPOHWJLEL-UHFFFAOYSA-N 280.357 1.087 0 50 CDAA O=C(c1ccc(Cl)c2cccnc12)N1CCNCC1 237723531 CUIAJFBBQARFPA-UHFFFAOYSA-N 275.739 1.934 0 50 CDAA CN(C)c1ncccc1-c1nc([C@H]2CCOC2)no1 96153516 CZRORPSSBBQNIP-VIFPVBQESA-N 260.297 1.702 0 50 CDAA Cc1nc(CN2C[C@@H](C)[C@](O)(C(C)C)C2)n(C)c1C 91586130 JGQUKGCLUGHKGW-IAQYHMDHSA-N 265.401 1.876 0 50 CDAA O=C1CCC2(CCN(Cc3ccoc3)CC2)CN1CCO 91604535 FPZSOKPAZUTAFJ-UHFFFAOYSA-N 292.379 1.477 0 50 CDAA CN1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@@]2(C(=O)O)C1 91849222 MWGMUWDQQDUNRU-BBRMVZONSA-N 294.395 1.432 0 50 CDAA O=C1CCCCN1CC(=O)N(Cc1nccs1)C1CC1 95510316 DHCMHXGZAJEQNE-UHFFFAOYSA-N 293.392 1.647 0 50 CDAA CCn1ccnc1C1CCN(CC(=O)N(C)C)CC1 91931063 HVEGRAWWWGPISN-UHFFFAOYSA-N 264.373 1.171 0 50 CDAA COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC(=O)C1(C)C 95743524 YBHLDAHDAOFWGW-SECBINFHSA-N 271.313 1.374 0 50 CDAA C[C@@H](C(=O)Nc1nncs1)N(C)Cc1ccccn1 244734615 NIXWTLRBQWXGQY-VIFPVBQESA-N 277.353 1.392 0 50 CDAA Cc1nc(-c2ccncc2)nc(N2CC(CO)C2)c1C 182583919 SYMWBVIKUXNDSD-UHFFFAOYSA-N 270.336 1.584 0 50 CDAA CS[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 299751364 QNDWMDAPHYSCIP-DBIOUOCHSA-N 271.382 1.982 0 50 CDAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nccs2)C1 299748173 GICUOSJMZKXPKF-IVZWLZJFSA-N 280.349 1.570 0 50 CDAA CN1c2cc(C(N)=O)ccc2C(=O)N2CCCCC[C@@H]21 257197430 KHLKHHFRULEZQN-CYBMUJFWSA-N 273.336 1.578 0 50 CDAA O=C(NC1(C(=O)O)CCC1)c1cccc2ccnn12 534575321 VSHPCJQKXDTFKJ-UHFFFAOYSA-N 259.265 1.071 0 50 CDAA Cc1cccnc1[C@@H](NC(=O)CN1CCCC1=O)C1CC1 534640139 HIRSONQJMLUZAU-INIZCTEOSA-N 287.363 1.580 0 50 CDAA Cn1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1=O 613407736 PJNYMCRHABBZND-INIZCTEOSA-N 284.359 1.959 0 50 CDAA Cc1ncnc(C)c1C(=O)NCc1[nH]cc(C)c(=O)c1C 534661824 GJCPOIRWFSPHGK-UHFFFAOYSA-N 286.335 1.329 0 50 CDAA O=C(O)C1(N[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 534587236 XFKZWMIJNMSNNV-LLVKDONJSA-N 264.300 1.611 0 50 CDAA O=C(COCC(F)(F)C(F)F)NCC1CCNCC1 534660310 YDEHYHYHBHFSGA-UHFFFAOYSA-N 286.269 1.019 0 50 CDAA C[C@H]1COCC[C@@H]1NCc1cccc(-n2cncn2)c1 281020322 XNPWEXXQUFAHCZ-WFASDCNBSA-N 272.352 1.782 0 50 CDAA COc1ccc2[nH]c(CNC(=O)[C@@H]3CCOC3)nc2c1 299798369 RHXAYQZFKPECFT-SECBINFHSA-N 275.308 1.224 0 50 CDAA CC(C)CCc1nc([C@@H](N)CO)n(Cc2ccccc2)n1 828784121 XVNUHWDAXSJBSY-AWEZNQCLSA-N 288.395 1.907 0 50 CDAA CN(Cc1cccc(OCC(N)=O)c1)CC1(C)COC1 823683772 VFLUYVDQPIRCKJ-UHFFFAOYSA-N 278.352 1.019 0 50 CDAA Cc1cnccc1CNC(=O)CN(C)Cc1cccnc1 827825691 CFIXHOHXMGXAOP-UHFFFAOYSA-N 284.363 1.533 0 50 CDAA Cc1nc(N)sc1CC(=O)N1CCN(C(C)C)[C@@H](C)C1 827945756 JXTGDAACJSGWSM-JTQLQIEISA-N 296.440 1.517 0 50 CDAA CN(Cc1noc(C2CCC2)n1)C(=O)Cn1cccc1 584892515 UIPRGUNGODVQCW-UHFFFAOYSA-N 274.324 1.797 0 50 CDAA Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H](C)c1ncnn1C 828133645 HKQAFVWCPYPAOM-QMMMGPOBSA-N 274.328 1.215 0 50 CDAA Cc1nccn1C[C@H](C)NCCc1noc(C2CC2)n1 584902823 BCXYOUZERIVZSI-JTQLQIEISA-N 275.356 1.673 0 50 CDAA O=c1c2ccc(F)cc2ncn1CC1(CO)CCOCC1 584899460 QVQLUODKKZPIPZ-UHFFFAOYSA-N 292.310 1.325 0 50 CDAA Cc1nonc1CNC(=O)[C@H](C)n1ccnc1C(C)C 584897154 MXPYWHMMCQLMTI-JTQLQIEISA-N 277.328 1.575 0 50 CDAA O=C1[C@H]2CCCN2C(=O)N1CC1(Br)CC1 585137176 LGDXNFAPKOUAMP-SSDOTTSWSA-N 273.130 1.341 0 50 CDAA Cc1nn(CCCN[C@@H]2CCCOC2)c(C)c1C 584888820 DIUZYRCEHYUUES-CQSZACIVSA-N 251.374 1.967 0 50 CDAA FC(F)(F)c1n[nH]c(CN[C@@H]2CN3CCC2CC3)n1 670457525 SQUXERSOXOIZNV-MRVPVSSYSA-N 275.278 1.007 0 50 CDAA Cc1nc(SCCNC(=O)C[C@@H]2CCCOC2)n[nH]1 670470255 CCWTWLJQHKVFRF-JTQLQIEISA-N 284.385 1.138 0 50 CDAA C[C@@H]1Cn2nc(C(=O)O)cc2CN1C(=O)Cc1ccccc1 1551454484 AXXONOJKNZJZDS-LLVKDONJSA-N 299.330 1.555 0 50 CDAA CNc1cc(N2CCN(c3ccccc3O)CC2)nc(C)n1 1875271901 DJCDKPQIGWMYRY-UHFFFAOYSA-N 299.378 1.859 0 50 CDAA Cc1nnsc1[C@H](C)Nc1cnn(CCO)c1 1875285706 WVAURUQPUJJOFT-ZETCQYMHSA-N 253.331 1.208 0 50 CDAA O=C(Cc1ccccn1)Nc1ccc2c(c1)C(=O)NC2 1875262837 QTLNGBLAISORBP-UHFFFAOYSA-N 267.288 1.506 0 50 CDAA O=C(N1Cc2ccccc2C1)N1CCn2ccnc21 1875274436 QYSVDIUUNFTWCE-UHFFFAOYSA-N 254.293 1.839 0 50 CDAA Cn1c(SCC(=O)NC2COC2)nc2ccccc21 1875269574 BCWCUVJBCRCPCF-UHFFFAOYSA-N 277.349 1.180 0 50 CDAA O=C(NCc1ccncc1Cl)NCc1cccnc1O 1875336814 IAVNFDSUDCVBSO-UHFFFAOYSA-N 292.726 1.835 0 50 CDAA CN(C)Cc1csc(NC(=O)C(C)(C)c2cc[nH]n2)n1 1875322256 NISDHWPAKBQKDZ-UHFFFAOYSA-N 293.396 1.844 0 50 CDAA O=C(C[C@@H]1CNC[C@H]1O)NCc1cccc2c1CCCC2 1875400965 OVLBHVLVXPGSBP-GDBMZVCRSA-N 288.391 1.152 0 50 CDAA CC1=C(C(=O)NC[C@@H](C)Oc2cccnc2)OCCO1 952971092 QYONOBLYNPYAFX-SNVBAGLBSA-N 278.308 1.243 0 50 CDAA Cc1nc(CNCCCN2CCC[C@H](CO)C2)n(C)c1C 952986806 BEDZKOFGEKGPRX-HNNXBMFYSA-N 294.443 1.221 0 50 CDAA C[C@@H](Cn1cccn1)C(=O)N(CCO)Cc1ccco1 952967419 LJCSVZWZBWQKKL-LBPRGKRZSA-N 277.324 1.133 0 50 CDAA CCOCCN(CCOCC)C(=O)[C@H]1CC1(C)C 952985298 AOUKBNZAZGBTBT-GFCCVEGCSA-N 257.374 1.934 0 50 CDAA CC(=O)NC[C@@H]1CN(Cc2c(C)noc2C)CCCO1 888103476 JMFVTMLCHCEKBJ-CYBMUJFWSA-N 281.356 1.018 0 50 CDAA C=CC(=O)N(CC)CC(=O)N[C@H]1CCOC12CCCCC2 888309132 AAUXTUBROBNVER-ZDUSSCGKSA-N 294.395 1.629 0 50 CDAA COC(=O)C1=CS[C@H](c2ccc3c(c2)OCO3)N1 45028244 HNWSHSARQVEGAQ-LLVKDONJSA-N 265.290 1.765 0 50 CDAA in-vitro CN1CC2(CCN(C(=O)c3csc(C4CC4)n3)C2)C1 1412895243 LQXVCAGQCNXHTN-UHFFFAOYSA-N 277.393 1.798 0 50 CDAA CCOC1CC(CCNC(=O)[C@@H]2NCC23CCCC3)C1 1775441717 MEAARHYQJUYHEO-RUXDESIVSA-N 280.412 1.840 0 50 CDAA Cc1cnc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)nc1 1775961531 GYYLMOKLXUCSFA-ZJUUUORDSA-N 260.301 1.235 0 50 CDAA CN1C(=O)N[C@H]2c3ccccc3O[C@@]13CCOC[C@@H]23 1776005607 LMWRKTRGNRKYBF-VHRBIJSZSA-N 260.293 1.508 0 50 CDAA CNc1ccc(Cl)cc1C(=O)N1CC[C@H](CO)[C@H](O)C1 1529119049 RREOAJHBTUUBGC-NOZJJQNGSA-N 298.770 1.197 0 50 CDAA CN(C)c1ncccc1C(=O)N[C@H]1C[C@H]2OCC[C@@H]12 1565508268 HQZXFVYFQIBTHE-ZMLRMANQSA-N 261.325 1.055 0 50 CDAA CO[C@H]1CCOC[C@@H]1NC(=O)Cn1ccc2ccccc21 1565529134 CHOGKGLPIVNTCD-ZFWWWQNUSA-N 288.347 1.561 0 50 CDAA CCn1ncc2ncn(Cc3ncc(C4CC4)o3)c(=O)c21 631019479 KTKAZTUHDJJVIC-UHFFFAOYSA-N 285.307 1.527 0 50 CDAA Cc1ccccc1[C@H](NS(=O)(=O)C1COC1)C1CC1 277120275 WPWNDUDSFVPSKD-CQSZACIVSA-N 281.377 1.764 0 50 CDAA O[C@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@@H]1O 278607110 FQEUIZNCMMYEJI-IUCAKERBSA-N 289.118 1.676 0 50 CDAA O=C1Nc2ccc(Br)cc2C1=C1NCCCN1 170610665 SVONWCPIKIGXDB-UHFFFAOYSA-N 294.152 1.653 0 50 CDAA CC(C)C[C@H]1C(=O)N(c2nccs2)C(=O)N1C 170613790 PFPQDGGLMRPRMQ-QMMMGPOBSA-N 253.327 1.956 0 50 CDAA CO[C@@H](C)C(=O)N1CCC(O)(Cc2ccncc2)CC1 552213117 DPYUFYRJIOXUEJ-LBPRGKRZSA-N 278.352 1.013 0 50 CDAA CCc1ccc2occ(C(=O)N[C@H](CO)CCO)c2c1 408516497 GUUQWAYJZIQRGD-NSHDSACASA-N 277.320 1.468 0 50 CDAA CCO[C@H]1C[C@](CO)(NC(=O)c2cc(C)on2)C1(C)C 188820662 ROXIUHLKPJXVHY-SMDDNHRTSA-N 282.340 1.279 0 50 CDAA O=S(=O)(C[C@@H]1CCCCO1)Nc1cccc2cn[nH]c12 110097102 OAUWERBMUKKUNG-NSHDSACASA-N 295.364 1.874 0 50 CDAA COC[C@@H](C)n1c(=O)ncn1-c1cc(C)ccc1C 189324145 GYRFXWUSKWZUGO-GFCCVEGCSA-N 261.325 1.858 0 50 CDAA CO[C@H]1CCC[C@@H]1NC(=O)COCc1ccccc1 225469242 DYFKLPAUYWZGAG-KBPBESRZSA-N 263.337 1.887 0 50 CDAA Cc1c(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)ccn1C 195269165 KNRZTBWHXUKKTE-AWEZNQCLSA-N 289.383 1.100 0 50 CDAA CCCc1cc(N2CCC[C@H]2C(=O)OC)n2ncnc2n1 195579860 KEFCUVKPMPJAIY-NSHDSACASA-N 289.339 1.219 0 50 CDAA CO[C@@H](C(=O)NCc1cccc(C(=O)O)c1)[C@H]1CCOC1 656474980 LORVLRDUZQUHHA-QWHCGFSZSA-N 293.319 1.053 0 50 CDAA COCc1ncsc1C(=O)N(C)C[C@@H](O)C1CC1 670803545 SRZVRPAPQUGOMW-SNVBAGLBSA-N 270.354 1.132 0 50 CDAA Cc1nnc(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)s1 1529099184 SPQPRTJDYFGHSL-BKUVIOGVSA-N 267.398 1.828 0 50 CDAA COc1cnc(NS(=O)(=O)c2cccs2)nc1 225632825 YOLAYEAXZLMQPU-UHFFFAOYSA-N 271.323 1.348 0 50 CDAA Fc1ccc(OC2CN(CC[C@H]3COCCO3)C2)cc1 1800408432 DWPIFTJKJBXMGX-AWEZNQCLSA-N 281.327 1.694 0 50 CDAA C[C@H](OCC1CC1)C(=O)N1CC[C@@](C)(C(=O)O)C1 237566614 FECBCHGSBVATOM-TVQRCGJNSA-N 255.314 1.125 0 50 CDAA C[C@@H]1OCC[C@@H]1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 1875270013 CWMSELMBZBBKQY-NJVJYBDUSA-N 253.386 1.894 0 50 CDAA CCn1ncnc1CN1CCC[C@H]1c1cc(C)on1 215763639 IWKDSDBIJYCHBH-LBPRGKRZSA-N 261.329 1.932 0 50 CDAA CC1(CNC(=O)[C@H]2C[C@@H]3[C@H](N)C[C@H]3C2)CC(F)(F)C1 1615001519 SRLRCDWLEBCSAX-CHWFTXMASA-N 272.339 1.911 0 50 CDAA Cn1cc(C(=O)NCC(F)(F)C2(O)CCCCC2)cn1 1615058328 OIITYLXZDQHLBP-UHFFFAOYSA-N 287.310 1.480 0 50 CDAA COC(=O)C1CC2(C1)OCCCN2C(=O)c1ccc(C)o1 1616038543 GZWICUBIFZJOEF-UHFFFAOYSA-N 293.319 1.730 0 50 CDAA CCCN(CCC)C(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 138755771 CBLLLOOLSCFRGH-WISYIIOYSA-N 269.341 1.513 0 50 CDAA CCCc1cc(CN(C)C[C@@H]2CCC(=O)N(C)C2)n[nH]1 1772806412 XVCLZWLRIMXFEX-LBPRGKRZSA-N 278.400 1.662 0 50 CDAA Cn1ccc(C2CCN(C[C@H]3CCCNC3)CC2)cc1=O 1772813847 WQQQSSLLDUXOEK-AWEZNQCLSA-N 289.423 1.564 0 50 CDAA Nc1nccc(N2CCC[C@@]3(CCc4c[nH]nc43)C2)n1 1775982098 HNZWXVDMKJBHPU-CQSZACIVSA-N 270.340 1.266 0 50 CDAA CO[C@H]1C=CC2=CCN3CC[C@H]4COC(=O)C=C4[C@]23C1 19864719 IXPDLJKEPLTCOU-RBOXIYTFSA-N 273.332 1.445 0 50 CDAA CN(CC[C@H](O)c1ccccc1)c1cncc(N)n1 1857671028 LQKNHVAOPIVYBR-LBPRGKRZSA-N 258.325 1.619 0 50 CDAA C[C@@]1(C(=O)NCCCn2ccnc2)CC12CCNCC2 1857685578 YIZVQYGAYQQHIS-AWEZNQCLSA-N 276.384 1.169 0 50 CDAA COC[C@H]1CN(Cc2nnc3n2CCCC3)CC(C)(C)O1 408028833 GCGLKDPIVDGUJY-GFCCVEGCSA-N 294.399 1.240 0 50 CDAA CCOC(=O)N1CCC[C@@H](c2nc(-c3ncc[nH]3)no2)C1 225596361 ZMCQGJWRXFJVIO-SECBINFHSA-N 291.311 1.796 0 50 CDAA CCOc1cc(N[C@H]2CCCC[C@H]2C(=O)NC)ncn1 127858610 NIIVVCADTWCHJO-MNOVXSKESA-N 278.356 1.592 0 50 CDAA COC1CCN(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)CC1 329899204 FIDJDCRIOAAGDN-GFCCVEGCSA-N 292.383 1.440 0 50 CDAA CNC[C@@H]1CCCN1C(=O)CCOc1ccccc1OC 237078801 HKPGJVPTKYNBRR-ZDUSSCGKSA-N 292.379 1.675 0 50 CDAA CN(CCCO)C[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 585116775 IBPGZIUCJKBOCN-ZDUSSCGKSA-N 298.770 1.979 0 50 CDAA CCNC(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 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